NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
642885 | 6g4i | 34250 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 PHE 1 HN PHE 1 -0.549 1.479 0.029 2 HA PHE 1 HA PHE 1 1.666 0.068 -0.428 3 HB2 PHE 1 HB1 PHE 1 0.061 -1.584 -1.610 4 HB3 PHE 1 HB2 PHE 1 -0.241 -0.313 -2.841 5 HD1 PHE 1 HD1 PHE 1 2.643 -2.080 -1.120 6 HD2 PHE 1 HD2 PHE 1 1.081 -0.452 -4.771 7 HE1 PHE 1 HE1 PHE 1 4.649 -2.876 -2.328 8 HE2 PHE 1 HE2 PHE 1 3.089 -1.256 -5.990 9 HZ PHE 1 HZ PHE 1 4.877 -2.467 -4.763 10 H LEU 2 HN LEU 2 2.583 0.973 -2.863 11 HA LEU 2 HA LEU 2 2.848 3.699 -2.446 12 HB2 LEU 2 HB1 LEU 2 3.510 1.901 -4.836 13 HB3 LEU 2 HB2 LEU 2 3.841 3.661 -4.869 14 HG LEU 2 HG LEU 2 5.260 3.423 -2.802 15 HD11 LEU 2 HD11 LEU 2 6.287 1.163 -2.361 16 HD12 LEU 2 HD12 LEU 2 5.036 0.402 -3.406 17 HD13 LEU 2 HD13 LEU 2 4.566 1.235 -1.870 18 HD21 LEU 2 HD21 LEU 2 6.115 1.854 -5.316 19 HD22 LEU 2 HD22 LEU 2 7.216 2.581 -4.090 20 HD23 LEU 2 HD23 LEU 2 6.184 3.649 -5.110 21 HA PRO 3 HA PRO 3 -0.763 5.330 -4.210 22 HB2 PRO 3 HB1 PRO 3 -0.041 7.942 -4.995 23 HB3 PRO 3 HB2 PRO 3 -0.135 7.400 -3.279 24 HG2 PRO 3 HG1 PRO 3 2.371 7.447 -5.057 25 HG3 PRO 3 HG2 PRO 3 2.158 8.178 -3.410 26 HD2 PRO 3 HD1 PRO 3 3.291 5.710 -3.670 27 HD3 PRO 3 HD2 PRO 3 2.044 5.980 -2.371 28 H ILE 4 HN ILE 4 1.782 4.664 -6.291 29 HA ILE 4 HA ILE 4 0.713 5.304 -8.818 30 HB ILE 4 HB ILE 4 2.331 2.841 -8.006 31 HG12 ILE 4 HG11 ILE 4 3.561 4.778 -7.182 32 HG13 ILE 4 HG12 ILE 4 4.352 4.108 -8.627 33 HG21 ILE 4 HG21 ILE 4 3.138 2.965 -10.402 34 HG22 ILE 4 HG22 ILE 4 1.377 2.636 -10.292 35 HG23 ILE 4 HG23 ILE 4 1.958 4.288 -10.718 36 HD11 ILE 4 HD1 ILE 4 2.600 6.663 -8.567 37 HD12 ILE 4 HD2 ILE 4 4.388 6.583 -8.697 38 HD13 ILE 4 HD3 ILE 4 3.372 5.963 -10.042 39 H LEU 5 HN LEU 5 0.071 2.578 -6.561 40 HA LEU 5 HA LEU 5 -1.597 1.106 -8.292 41 HB2 LEU 5 HB1 LEU 5 -0.495 0.203 -6.242 42 HB3 LEU 5 HB2 LEU 5 -1.490 1.281 -5.224 43 HG LEU 5 HG LEU 5 -3.560 0.069 -5.994 44 HD11 LEU 5 HD11 LEU 5 -3.315 -2.137 -7.169 45 HD12 LEU 5 HD12 LEU 5 -1.568 -1.798 -7.442 46 HD13 LEU 5 HD13 LEU 5 -2.831 -0.765 -8.226 47 HD21 LEU 5 HD21 LEU 5 -3.134 -2.018 -4.708 48 HD22 LEU 5 HD22 LEU 5 -2.391 -0.593 -3.898 49 HD23 LEU 5 HD23 LEU 5 -1.358 -1.746 -4.824 50 H ALA 6 HN ALA 6 -2.344 3.655 -5.864 51 HA ALA 6 HA ALA 6 -5.126 3.654 -6.239 52 HB1 ALA 6 HB1 ALA 6 -3.962 4.722 -4.299 53 HB2 ALA 6 HB2 ALA 6 -3.237 5.944 -5.404 54 HB3 ALA 6 HB3 ALA 6 -5.022 5.901 -5.142 55 H SER 7 HN SER 7 -2.570 5.535 -7.909 56 HA SER 7 HA SER 7 -4.284 6.962 -9.629 57 HB2 SER 7 HB1 SER 7 -1.825 7.432 -9.204 58 HB3 SER 7 HB2 SER 7 -1.425 6.046 -10.270 59 HG SER 7 HG1 SER 7 -1.451 8.081 -11.365 60 H LEU 8 HN LEU 8 -2.672 3.760 -10.161 61 HA LEU 8 HA LEU 8 -3.800 3.305 -12.695 62 HB2 LEU 8 HB1 LEU 8 -2.831 1.411 -10.496 63 HB3 LEU 8 HB2 LEU 8 -3.371 0.820 -12.099 64 HG LEU 8 HG LEU 8 -1.075 2.821 -11.711 65 HD11 LEU 8 HD11 LEU 8 -0.975 -0.233 -12.133 66 HD12 LEU 8 HD12 LEU 8 -0.538 0.652 -10.623 67 HD13 LEU 8 HD13 LEU 8 0.441 0.884 -12.118 68 HD21 LEU 8 HD21 LEU 8 -1.959 1.136 -14.145 69 HD22 LEU 8 HD22 LEU 8 -0.469 2.144 -14.052 70 HD23 LEU 8 HD23 LEU 8 -2.086 2.932 -13.991 71 H ALA 9 HN ALA 9 -5.104 2.347 -9.420 72 HA ALA 9 HA ALA 9 -7.390 1.117 -10.457 73 HB1 ALA 9 HB1 ALA 9 -8.310 1.464 -8.145 74 HB2 ALA 9 HB2 ALA 9 -6.597 0.916 -8.091 75 HB3 ALA 9 HB3 ALA 9 -6.986 2.646 -7.811 76 H ALA 10 HN ALA 10 -6.942 4.549 -9.453 77 HA ALA 10 HA ALA 10 -9.530 5.372 -10.041 78 HB1 ALA 10 HB1 ALA 10 -6.904 6.971 -10.003 79 HB2 ALA 10 HB2 ALA 10 -8.577 7.671 -9.844 80 HB3 ALA 10 HB3 ALA 10 -7.916 6.580 -8.576 81 H LYS 11 HN LYS 11 -6.664 5.382 -12.240 82 HA LYS 11 HA LYS 11 -8.415 6.611 -14.294 83 HB2 LYS 11 HB1 LYS 11 -5.374 6.420 -14.309 84 HB3 LYS 11 HB2 LYS 11 -6.418 7.461 -15.338 85 HG2 LYS 11 HG1 LYS 11 -5.861 7.687 -12.319 86 HG3 LYS 11 HG2 LYS 11 -5.254 8.769 -13.592 87 HD2 LYS 11 HD1 LYS 11 -7.519 9.672 -13.997 88 HD3 LYS 11 HD2 LYS 11 -8.247 8.427 -12.929 89 HE2 LYS 11 HE1 LYS 11 -6.899 9.369 -10.968 90 HE3 LYS 11 HE2 LYS 11 -6.413 10.747 -12.031 91 HZ1 LYS 11 HZ1 LYS 11 -9.211 9.943 -11.369 92 HZ2 LYS 11 HZ2 LYS 11 -8.756 11.271 -12.317 93 HZ3 LYS 11 HZ3 LYS 11 -8.362 11.229 -10.668 94 H PHE 12 HN PHE 12 -7.004 3.501 -13.603 95 HA PHE 12 HA PHE 12 -7.611 2.716 -16.390 96 HB2 PHE 12 HB1 PHE 12 -5.410 1.643 -14.515 97 HB3 PHE 12 HB2 PHE 12 -5.990 0.759 -15.957 98 HD1 PHE 12 HD1 PHE 12 -4.598 4.139 -14.961 99 HD2 PHE 12 HD2 PHE 12 -4.910 1.075 -17.952 100 HE1 PHE 12 HE1 PHE 12 -3.036 5.394 -16.407 101 HE2 PHE 12 HE2 PHE 12 -3.321 2.318 -19.390 102 HZ PHE 12 HZ PHE 12 -2.401 4.491 -18.628 103 H GLY 13 HN GLY 13 -8.681 2.326 -13.103 104 HA2 GLY 13 HA1 GLY 13 -9.464 -0.239 -12.964 105 HA3 GLY 13 HA2 GLY 13 -10.426 1.148 -12.379 106 HA PRO 14 HA PRO 14 -13.487 -0.006 -15.337 107 HB2 PRO 14 HB1 PRO 14 -14.105 2.229 -16.962 108 HB3 PRO 14 HB2 PRO 14 -14.611 2.044 -15.243 109 HG2 PRO 14 HG1 PRO 14 -12.139 3.524 -16.296 110 HG3 PRO 14 HG2 PRO 14 -13.381 4.118 -15.116 111 HD2 PRO 14 HD1 PRO 14 -11.018 3.082 -14.220 112 HD3 PRO 14 HD2 PRO 14 -12.564 2.610 -13.388 113 H LYS 15 HN LYS 15 -10.629 1.440 -16.798 114 HA LYS 15 HA LYS 15 -11.031 0.333 -19.396 115 HB2 LYS 15 HB1 LYS 15 -8.323 1.021 -18.132 116 HB3 LYS 15 HB2 LYS 15 -8.723 0.823 -19.869 117 HG2 LYS 15 HG1 LYS 15 -10.461 2.791 -19.394 118 HG3 LYS 15 HG2 LYS 15 -9.408 3.158 -17.999 119 HD2 LYS 15 HD1 LYS 15 -8.632 2.941 -20.979 120 HD3 LYS 15 HD2 LYS 15 -8.856 4.480 -20.115 121 HE2 LYS 15 HE1 LYS 15 -6.681 2.410 -19.320 122 HE3 LYS 15 HE2 LYS 15 -6.420 3.652 -20.595 123 HZ1 LYS 15 HZ1 LYS 15 -6.664 5.375 -19.055 124 HZ2 LYS 15 HZ2 LYS 15 -5.654 4.232 -18.314 125 HZ3 LYS 15 HZ3 LYS 15 -7.249 4.397 -17.825 126 H LEU 16 HN LEU 16 -9.396 -0.875 -16.458 127 HA LEU 16 HA LEU 16 -8.389 -3.254 -17.479 128 HB2 LEU 16 HB1 LEU 16 -7.800 -2.095 -15.341 129 HB3 LEU 16 HB2 LEU 16 -9.349 -2.607 -14.625 130 HG LEU 16 HG LEU 16 -7.386 -4.674 -15.762 131 HD11 LEU 16 HD11 LEU 16 -6.030 -3.177 -14.299 132 HD12 LEU 16 HD12 LEU 16 -6.266 -4.792 -13.535 133 HD13 LEU 16 HD13 LEU 16 -7.230 -3.381 -12.966 134 HD21 LEU 16 HD21 LEU 16 -9.610 -5.560 -14.998 135 HD22 LEU 16 HD22 LEU 16 -9.386 -4.750 -13.402 136 HD23 LEU 16 HD23 LEU 16 -8.299 -6.097 -13.894 137 H PHE 17 HN PHE 17 -11.615 -2.600 -15.998 138 HA PHE 17 HA PHE 17 -12.617 -5.201 -16.230 139 HB2 PHE 17 HB1 PHE 17 -13.692 -3.307 -14.936 140 HB3 PHE 17 HB2 PHE 17 -14.111 -2.502 -16.488 141 HD1 PHE 17 HD1 PHE 17 -16.053 -3.175 -17.696 142 HD2 PHE 17 HD2 PHE 17 -14.647 -5.604 -14.443 143 HE1 PHE 17 HE1 PHE 17 -18.113 -4.544 -17.829 144 HE2 PHE 17 HE2 PHE 17 -16.711 -6.969 -14.572 145 HZ PHE 17 HZ PHE 17 -18.443 -6.443 -16.270 146 H CYS 18 HN CYS 18 -12.709 -2.517 -18.628 147 HA CYS 18 HA CYS 18 -13.907 -4.013 -20.677 148 HB2 CYS 18 HB1 CYS 18 -12.039 -1.586 -20.810 149 HB3 CYS 18 HB2 CYS 18 -12.893 -2.255 -22.237 150 H LEU 19 HN LEU 19 -10.399 -3.695 -19.917 151 HA LEU 19 HA LEU 19 -9.528 -5.243 -22.112 152 HB2 LEU 19 HB1 LEU 19 -8.307 -4.698 -19.361 153 HB3 LEU 19 HB2 LEU 19 -7.444 -5.607 -20.641 154 HG LEU 19 HG LEU 19 -8.465 -2.739 -21.026 155 HD11 LEU 19 HD11 LEU 19 -6.098 -2.034 -20.651 156 HD12 LEU 19 HD12 LEU 19 -5.656 -3.729 -20.228 157 HD13 LEU 19 HD13 LEU 19 -6.797 -2.808 -19.177 158 HD21 LEU 19 HD21 LEU 19 -8.092 -3.969 -23.169 159 HD22 LEU 19 HD22 LEU 19 -6.447 -4.455 -22.612 160 HD23 LEU 19 HD23 LEU 19 -6.820 -2.722 -22.921 161 H VAL 20 HN VAL 20 -10.333 -6.305 -18.744 162 HA VAL 20 HA VAL 20 -9.758 -9.019 -19.176 163 HB VAL 20 HB VAL 20 -11.640 -7.610 -17.240 164 HG11 VAL 20 HG11 VAL 20 -10.781 -10.591 -17.329 165 HG12 VAL 20 HG12 VAL 20 -11.558 -9.783 -15.921 166 HG13 VAL 20 HG13 VAL 20 -12.473 -9.960 -17.453 167 HG21 VAL 20 HG21 VAL 20 -9.783 -8.108 -15.628 168 HG22 VAL 20 HG22 VAL 20 -8.840 -8.909 -16.934 169 HG23 VAL 20 HG23 VAL 20 -9.156 -7.137 -17.004 170 H THR 21 HN THR 21 -12.828 -7.229 -19.590 171 HA THR 21 HA THR 21 -14.379 -9.359 -20.579 172 HB THR 21 HB THR 21 -14.536 -6.412 -21.387 173 HG1 THR 21 HG1 THR 21 -14.811 -6.564 -19.204 174 HG21 THR 21 HG21 THR 21 -16.608 -8.724 -21.444 175 HG22 THR 21 HG22 THR 21 -15.918 -7.898 -22.895 176 HG23 THR 21 HG23 THR 21 -16.980 -6.996 -21.758 177 H LYS 22 HN LYS 22 -12.330 -7.017 -22.243 178 HA LYS 22 HA LYS 22 -10.993 -7.167 -23.962 179 HB2 LYS 22 HB1 LYS 22 -12.425 -9.654 -24.937 180 HB3 LYS 22 HB2 LYS 22 -11.115 -8.843 -25.828 181 HG2 LYS 22 HG1 LYS 22 -9.444 -9.387 -24.274 182 HG3 LYS 22 HG2 LYS 22 -10.573 -9.603 -22.925 183 HD2 LYS 22 HD1 LYS 22 -11.218 -11.528 -25.075 184 HD3 LYS 22 HD2 LYS 22 -9.482 -11.617 -24.690 185 HE2 LYS 22 HE1 LYS 22 -10.875 -13.240 -23.347 186 HE3 LYS 22 HE2 LYS 22 -9.943 -12.090 -22.307 187 HZ1 LYS 22 HZ1 LYS 22 -12.592 -12.549 -22.075 188 HZ2 LYS 22 HZ2 LYS 22 -12.584 -11.143 -23.025 189 HZ3 LYS 22 HZ3 LYS 22 -11.797 -11.147 -21.570 190 H LYS 23 HN LYS 23 -11.759 -5.166 -24.392 191 HA LYS 23 HA LYS 23 -12.663 -3.535 -25.568 192 HB2 LYS 23 HB1 LYS 23 -11.753 -4.985 -27.489 193 HB3 LYS 23 HB2 LYS 23 -13.431 -5.538 -27.718 194 HG2 LYS 23 HG1 LYS 23 -13.958 -2.891 -27.894 195 HG3 LYS 23 HG2 LYS 23 -12.194 -2.753 -28.137 196 HD2 LYS 23 HD1 LYS 23 -13.201 -2.817 -30.307 197 HD3 LYS 23 HD2 LYS 23 -12.428 -4.423 -30.079 198 HE2 LYS 23 HE1 LYS 23 -14.690 -5.425 -29.525 199 HE3 LYS 23 HE2 LYS 23 -15.447 -3.792 -29.666 200 HZ1 LYS 23 HZ1 LYS 23 -14.052 -5.266 -31.854 201 HZ2 LYS 23 HZ2 LYS 23 -14.773 -3.738 -31.984 202 HZ3 LYS 23 HZ3 LYS 23 -15.727 -5.099 -31.662 203 H CYS 24 HN CYS 24 -14.317 -4.181 -23.573 204 HA CYS 24 HA CYS 24 -16.854 -5.050 -24.094 205 HB2 CYS 24 HB1 CYS 24 -17.578 -3.868 -22.041 206 HB3 CYS 24 HB2 CYS 24 -16.020 -4.698 -21.808 Start of MODEL 2 1 H1 PHE 1 HN PHE 1 -0.300 1.062 0.076 2 HA PHE 1 HA PHE 1 2.066 -0.053 -0.218 3 HB2 PHE 1 HB1 PHE 1 0.777 -1.936 -1.456 4 HB3 PHE 1 HB2 PHE 1 0.457 -0.757 -2.770 5 HD1 PHE 1 HD1 PHE 1 3.346 -2.073 -0.688 6 HD2 PHE 1 HD2 PHE 1 1.962 -0.869 -4.572 7 HE1 PHE 1 HE1 PHE 1 5.526 -2.715 -1.661 8 HE2 PHE 1 HE2 PHE 1 4.144 -1.524 -5.552 9 HZ PHE 1 HZ PHE 1 5.929 -2.447 -4.093 10 H LEU 2 HN LEU 2 2.872 0.837 -2.805 11 HA LEU 2 HA LEU 2 2.952 3.564 -2.383 12 HB2 LEU 2 HB1 LEU 2 3.696 1.796 -4.754 13 HB3 LEU 2 HB2 LEU 2 3.827 3.578 -4.885 14 HG LEU 2 HG LEU 2 5.343 3.643 -2.908 15 HD11 LEU 2 HD11 LEU 2 4.871 1.507 -1.741 16 HD12 LEU 2 HD12 LEU 2 6.584 1.554 -2.267 17 HD13 LEU 2 HD13 LEU 2 5.398 0.571 -3.196 18 HD21 LEU 2 HD21 LEU 2 7.328 2.855 -4.184 19 HD22 LEU 2 HD22 LEU 2 6.167 3.711 -5.264 20 HD23 LEU 2 HD23 LEU 2 6.264 1.906 -5.284 21 HA PRO 3 HA PRO 3 -0.787 5.048 -4.035 22 HB2 PRO 3 HB1 PRO 3 -0.191 7.700 -4.778 23 HB3 PRO 3 HB2 PRO 3 -0.213 7.123 -3.071 24 HG2 PRO 3 HG1 PRO 3 2.239 7.299 -4.916 25 HG3 PRO 3 HG2 PRO 3 2.042 8.001 -3.255 26 HD2 PRO 3 HD1 PRO 3 3.262 5.585 -3.580 27 HD3 PRO 3 HD2 PRO 3 2.046 5.791 -2.240 28 H ILE 4 HN ILE 4 1.688 4.397 -6.136 29 HA ILE 4 HA ILE 4 0.726 5.188 -8.651 30 HB ILE 4 HB ILE 4 2.199 2.623 -7.884 31 HG12 ILE 4 HG11 ILE 4 3.488 4.488 -6.983 32 HG13 ILE 4 HG12 ILE 4 4.288 3.812 -8.421 33 HG21 ILE 4 HG21 ILE 4 1.956 4.147 -10.570 34 HG22 ILE 4 HG22 ILE 4 3.076 2.772 -10.254 35 HG23 ILE 4 HG23 ILE 4 1.302 2.508 -10.196 36 HD11 ILE 4 HD1 ILE 4 4.439 6.281 -8.438 37 HD12 ILE 4 HD2 ILE 4 3.430 5.739 -9.821 38 HD13 ILE 4 HD3 ILE 4 2.654 6.444 -8.348 39 H LEU 5 HN LEU 5 -0.142 2.350 -6.573 40 HA LEU 5 HA LEU 5 -1.801 1.117 -8.489 41 HB2 LEU 5 HB1 LEU 5 -2.019 1.035 -5.425 42 HB3 LEU 5 HB2 LEU 5 -2.792 -0.105 -6.570 43 HG LEU 5 HG LEU 5 0.209 0.226 -6.021 44 HD11 LEU 5 HD11 LEU 5 -1.758 -2.104 -5.537 45 HD12 LEU 5 HD12 LEU 5 -1.137 -0.978 -4.279 46 HD13 LEU 5 HD13 LEU 5 -0.005 -2.095 -5.132 47 HD21 LEU 5 HD21 LEU 5 -1.204 -1.648 -8.032 48 HD22 LEU 5 HD22 LEU 5 0.521 -1.765 -7.534 49 HD23 LEU 5 HD23 LEU 5 -0.046 -0.321 -8.443 50 H ALA 6 HN ALA 6 -2.625 3.506 -5.918 51 HA ALA 6 HA ALA 6 -5.367 3.655 -6.512 52 HB1 ALA 6 HB1 ALA 6 -4.334 4.501 -4.397 53 HB2 ALA 6 HB2 ALA 6 -3.454 5.766 -5.326 54 HB3 ALA 6 HB3 ALA 6 -5.256 5.804 -5.219 55 H SER 7 HN SER 7 -2.600 5.502 -7.769 56 HA SER 7 HA SER 7 -4.009 7.240 -9.452 57 HB2 SER 7 HB1 SER 7 -1.545 7.339 -8.745 58 HB3 SER 7 HB2 SER 7 -1.208 6.070 -9.957 59 HG SER 7 HG1 SER 7 -0.800 8.042 -10.825 60 H LEU 8 HN LEU 8 -2.650 3.958 -10.226 61 HA LEU 8 HA LEU 8 -3.665 3.894 -12.865 62 HB2 LEU 8 HB1 LEU 8 -2.938 1.694 -10.861 63 HB3 LEU 8 HB2 LEU 8 -3.400 1.347 -12.557 64 HG LEU 8 HG LEU 8 -1.016 3.115 -11.766 65 HD11 LEU 8 HD11 LEU 8 -0.698 0.791 -10.943 66 HD12 LEU 8 HD12 LEU 8 0.400 1.143 -12.329 67 HD13 LEU 8 HD13 LEU 8 -1.079 0.142 -12.583 68 HD21 LEU 8 HD21 LEU 8 -0.291 2.706 -14.134 69 HD22 LEU 8 HD22 LEU 8 -1.861 3.584 -14.074 70 HD23 LEU 8 HD23 LEU 8 -1.824 1.818 -14.451 71 H ALA 9 HN ALA 9 -5.116 2.645 -9.769 72 HA ALA 9 HA ALA 9 -7.338 1.503 -10.955 73 HB1 ALA 9 HB1 ALA 9 -8.308 1.583 -8.640 74 HB2 ALA 9 HB2 ALA 9 -6.577 1.092 -8.608 75 HB3 ALA 9 HB3 ALA 9 -7.034 2.771 -8.164 76 H ALA 10 HN ALA 10 -7.045 4.860 -9.645 77 HA ALA 10 HA ALA 10 -9.670 5.614 -10.154 78 HB1 ALA 10 HB1 ALA 10 -8.775 7.949 -9.923 79 HB2 ALA 10 HB2 ALA 10 -8.079 6.846 -8.684 80 HB3 ALA 10 HB3 ALA 10 -7.092 7.300 -10.115 81 H LYS 11 HN LYS 11 -6.855 5.791 -12.371 82 HA LYS 11 HA LYS 11 -8.607 7.133 -14.350 83 HB2 LYS 11 HB1 LYS 11 -5.604 6.959 -13.971 84 HB3 LYS 11 HB2 LYS 11 -6.337 7.664 -15.453 85 HG2 LYS 11 HG1 LYS 11 -7.419 9.442 -14.285 86 HG3 LYS 11 HG2 LYS 11 -7.224 8.667 -12.696 87 HD2 LYS 11 HD1 LYS 11 -4.900 9.840 -14.345 88 HD3 LYS 11 HD2 LYS 11 -5.769 10.642 -12.990 89 HE2 LYS 11 HE1 LYS 11 -5.130 8.597 -11.515 90 HE3 LYS 11 HE2 LYS 11 -4.026 8.100 -12.856 91 HZ1 LYS 11 HZ1 LYS 11 -3.893 10.572 -11.207 92 HZ2 LYS 11 HZ2 LYS 11 -2.956 10.314 -12.611 93 HZ3 LYS 11 HZ3 LYS 11 -2.826 9.257 -11.295 94 H PHE 12 HN PHE 12 -7.525 3.951 -13.763 95 HA PHE 12 HA PHE 12 -8.262 3.276 -16.535 96 HB2 PHE 12 HB1 PHE 12 -5.810 2.205 -14.985 97 HB3 PHE 12 HB2 PHE 12 -6.439 1.459 -16.490 98 HD1 PHE 12 HD1 PHE 12 -4.744 4.433 -15.078 99 HD2 PHE 12 HD2 PHE 12 -6.096 2.451 -18.631 100 HE1 PHE 12 HE1 PHE 12 -3.389 5.990 -16.457 101 HE2 PHE 12 HE2 PHE 12 -4.736 3.997 -20.017 102 HZ PHE 12 HZ PHE 12 -3.395 5.778 -18.929 103 H GLY 13 HN GLY 13 -9.027 2.650 -13.243 104 HA2 GLY 13 HA1 GLY 13 -9.466 -0.001 -13.106 105 HA3 GLY 13 HA2 GLY 13 -10.538 1.256 -12.425 106 HA PRO 14 HA PRO 14 -13.661 -0.209 -15.144 107 HB2 PRO 14 HB1 PRO 14 -14.654 1.935 -16.707 108 HB3 PRO 14 HB2 PRO 14 -14.991 1.702 -14.952 109 HG2 PRO 14 HG1 PRO 14 -12.792 3.440 -16.200 110 HG3 PRO 14 HG2 PRO 14 -13.989 3.899 -14.917 111 HD2 PRO 14 HD1 PRO 14 -11.464 3.135 -14.224 112 HD3 PRO 14 HD2 PRO 14 -12.875 2.491 -13.273 113 H LYS 15 HN LYS 15 -11.077 1.468 -16.831 114 HA LYS 15 HA LYS 15 -11.585 0.318 -19.408 115 HB2 LYS 15 HB1 LYS 15 -8.932 1.308 -18.230 116 HB3 LYS 15 HB2 LYS 15 -9.256 0.979 -19.958 117 HG2 LYS 15 HG1 LYS 15 -10.862 2.861 -20.071 118 HG3 LYS 15 HG2 LYS 15 -10.732 3.120 -18.301 119 HD2 LYS 15 HD1 LYS 15 -8.254 3.501 -18.575 120 HD3 LYS 15 HD2 LYS 15 -8.457 3.483 -20.353 121 HE2 LYS 15 HE1 LYS 15 -9.735 5.554 -20.332 122 HE3 LYS 15 HE2 LYS 15 -10.070 5.417 -18.558 123 HZ1 LYS 15 HZ1 LYS 15 -7.308 5.715 -19.624 124 HZ2 LYS 15 HZ2 LYS 15 -7.881 5.859 -18.041 125 HZ3 LYS 15 HZ3 LYS 15 -8.298 7.032 -19.177 126 H LEU 16 HN LEU 16 -9.551 -0.631 -16.605 127 HA LEU 16 HA LEU 16 -8.473 -2.954 -17.695 128 HB2 LEU 16 HB1 LEU 16 -7.658 -1.741 -15.650 129 HB3 LEU 16 HB2 LEU 16 -9.132 -2.249 -14.778 130 HG LEU 16 HG LEU 16 -8.439 -4.652 -15.017 131 HD11 LEU 16 HD11 LEU 16 -7.070 -4.573 -17.089 132 HD12 LEU 16 HD12 LEU 16 -6.086 -5.188 -15.718 133 HD13 LEU 16 HD13 LEU 16 -5.869 -3.489 -16.278 134 HD21 LEU 16 HD21 LEU 16 -7.839 -3.335 -12.988 135 HD22 LEU 16 HD22 LEU 16 -6.295 -2.819 -13.769 136 HD23 LEU 16 HD23 LEU 16 -6.573 -4.556 -13.377 137 H PHE 17 HN PHE 17 -11.504 -2.509 -15.814 138 HA PHE 17 HA PHE 17 -12.337 -5.175 -15.827 139 HB2 PHE 17 HB1 PHE 17 -13.338 -3.251 -14.490 140 HB3 PHE 17 HB2 PHE 17 -14.039 -2.593 -16.008 141 HD1 PHE 17 HD1 PHE 17 -14.002 -5.608 -13.762 142 HD2 PHE 17 HD2 PHE 17 -16.128 -3.405 -16.772 143 HE1 PHE 17 HE1 PHE 17 -15.984 -7.052 -13.415 144 HE2 PHE 17 HE2 PHE 17 -18.115 -4.847 -16.427 145 HZ PHE 17 HZ PHE 17 -18.044 -6.672 -14.747 146 H CYS 18 HN CYS 18 -12.936 -2.614 -18.293 147 HA CYS 18 HA CYS 18 -14.255 -4.291 -20.119 148 HB2 CYS 18 HB1 CYS 18 -12.634 -1.718 -20.482 149 HB3 CYS 18 HB2 CYS 18 -13.459 -2.514 -21.857 150 H LEU 19 HN LEU 19 -10.725 -3.823 -19.701 151 HA LEU 19 HA LEU 19 -9.945 -5.087 -22.066 152 HB2 LEU 19 HB1 LEU 19 -8.537 -4.796 -19.373 153 HB3 LEU 19 HB2 LEU 19 -7.760 -5.605 -20.766 154 HG LEU 19 HG LEU 19 -8.758 -2.707 -20.830 155 HD11 LEU 19 HD11 LEU 19 -6.874 -3.009 -19.207 156 HD12 LEU 19 HD12 LEU 19 -6.343 -2.094 -20.669 157 HD13 LEU 19 HD13 LEU 19 -5.905 -3.833 -20.483 158 HD21 LEU 19 HD21 LEU 19 -7.317 -2.557 -22.888 159 HD22 LEU 19 HD22 LEU 19 -8.677 -3.714 -23.109 160 HD23 LEU 19 HD23 LEU 19 -7.009 -4.328 -22.790 161 H VAL 20 HN VAL 20 -10.922 -6.608 -18.993 162 HA VAL 20 HA VAL 20 -9.991 -9.178 -19.457 163 HB VAL 20 HB VAL 20 -12.584 -8.304 -18.090 164 HG11 VAL 20 HG11 VAL 20 -12.599 -10.774 -18.522 165 HG12 VAL 20 HG12 VAL 20 -10.917 -10.911 -17.881 166 HG13 VAL 20 HG13 VAL 20 -12.273 -10.459 -16.784 167 HG21 VAL 20 HG21 VAL 20 -11.165 -8.451 -15.999 168 HG22 VAL 20 HG22 VAL 20 -9.707 -8.718 -17.021 169 HG23 VAL 20 HG23 VAL 20 -10.606 -7.154 -17.102 170 H THR 21 HN THR 21 -13.016 -7.671 -20.665 171 HA THR 21 HA THR 21 -13.764 -10.097 -22.054 172 HB THR 21 HB THR 21 -15.146 -7.439 -22.514 173 HG1 THR 21 HG1 THR 21 -16.373 -7.998 -20.630 174 HG21 THR 21 HG21 THR 21 -15.961 -9.583 -23.663 175 HG22 THR 21 HG22 THR 21 -17.166 -8.965 -22.485 176 HG23 THR 21 HG23 THR 21 -16.111 -10.360 -22.044 177 H LYS 22 HN LYS 22 -11.296 -8.290 -22.784 178 HA LYS 22 HA LYS 22 -10.185 -7.571 -24.517 179 HB2 LYS 22 HB1 LYS 22 -10.820 -9.914 -25.331 180 HB3 LYS 22 HB2 LYS 22 -12.030 -9.119 -26.380 181 HG2 LYS 22 HG1 LYS 22 -10.098 -7.734 -27.381 182 HG3 LYS 22 HG2 LYS 22 -8.953 -8.728 -26.434 183 HD2 LYS 22 HD1 LYS 22 -10.956 -9.755 -28.552 184 HD3 LYS 22 HD2 LYS 22 -9.220 -9.406 -28.847 185 HE2 LYS 22 HE1 LYS 22 -8.575 -11.206 -27.184 186 HE3 LYS 22 HE2 LYS 22 -10.325 -11.602 -26.954 187 HZ1 LYS 22 HZ1 LYS 22 -9.276 -13.052 -28.564 188 HZ2 LYS 22 HZ2 LYS 22 -8.823 -11.735 -29.528 189 HZ3 LYS 22 HZ3 LYS 22 -10.462 -12.102 -29.315 190 H LYS 23 HN LYS 23 -11.852 -5.794 -23.513 191 HA LYS 23 HA LYS 23 -12.622 -3.779 -23.783 192 HB2 LYS 23 HB1 LYS 23 -11.269 -3.030 -25.427 193 HB3 LYS 23 HB2 LYS 23 -11.875 -4.103 -26.681 194 HG2 LYS 23 HG1 LYS 23 -13.452 -1.702 -25.544 195 HG3 LYS 23 HG2 LYS 23 -12.362 -1.650 -26.950 196 HD2 LYS 23 HD1 LYS 23 -15.091 -3.025 -26.774 197 HD3 LYS 23 HD2 LYS 23 -14.544 -1.693 -27.800 198 HE2 LYS 23 HE1 LYS 23 -14.718 -3.485 -29.291 199 HE3 LYS 23 HE2 LYS 23 -12.940 -3.418 -28.982 200 HZ1 LYS 23 HZ1 LYS 23 -13.085 -5.362 -27.677 201 HZ2 LYS 23 HZ2 LYS 23 -14.254 -5.675 -28.868 202 HZ3 LYS 23 HZ3 LYS 23 -14.667 -5.133 -27.314 203 H CYS 24 HN CYS 24 -14.568 -3.680 -22.893 204 HA CYS 24 HA CYS 24 -16.695 -5.333 -23.914 205 HB2 CYS 24 HB1 CYS 24 -17.945 -4.531 -21.916 206 HB3 CYS 24 HB2 CYS 24 -16.333 -5.172 -21.498 Start of MODEL 3 1 H1 PHE 1 HN PHE 1 -1.307 1.321 -0.248 2 HA PHE 1 HA PHE 1 0.936 0.115 -0.013 3 HB2 PHE 1 HB1 PHE 1 -0.057 -1.776 -1.476 4 HB3 PHE 1 HB2 PHE 1 0.022 -0.656 -2.875 5 HD1 PHE 1 HD1 PHE 1 2.460 -1.472 -0.035 6 HD2 PHE 1 HD2 PHE 1 1.676 -1.521 -4.261 7 HE1 PHE 1 HE1 PHE 1 4.744 -2.295 -0.448 8 HE2 PHE 1 HE2 PHE 1 3.975 -2.354 -4.673 9 HZ PHE 1 HZ PHE 1 5.510 -2.742 -2.762 10 H LEU 2 HN LEU 2 2.212 0.844 -2.677 11 HA LEU 2 HA LEU 2 2.534 3.544 -2.168 12 HB2 LEU 2 HB1 LEU 2 3.261 1.787 -4.546 13 HB3 LEU 2 HB2 LEU 2 3.529 3.555 -4.635 14 HG LEU 2 HG LEU 2 4.929 3.473 -2.570 15 HD11 LEU 2 HD11 LEU 2 5.970 1.285 -1.911 16 HD12 LEU 2 HD12 LEU 2 4.785 0.414 -2.947 17 HD13 LEU 2 HD13 LEU 2 4.226 1.343 -1.501 18 HD21 LEU 2 HD21 LEU 2 5.860 1.731 -4.938 19 HD22 LEU 2 HD22 LEU 2 6.923 2.572 -3.753 20 HD23 LEU 2 HD23 LEU 2 5.893 3.537 -4.872 21 HA PRO 3 HA PRO 3 -0.985 5.361 -3.988 22 HB2 PRO 3 HB1 PRO 3 -0.177 8.008 -4.523 23 HB3 PRO 3 HB2 PRO 3 -0.374 7.342 -2.860 24 HG2 PRO 3 HG1 PRO 3 2.229 7.475 -4.488 25 HG3 PRO 3 HG2 PRO 3 1.933 8.086 -2.806 26 HD2 PRO 3 HD1 PRO 3 3.042 5.620 -3.192 27 HD3 PRO 3 HD2 PRO 3 1.736 5.822 -1.939 28 H ILE 4 HN ILE 4 1.710 4.821 -5.904 29 HA ILE 4 HA ILE 4 0.873 5.655 -8.456 30 HB ILE 4 HB ILE 4 2.401 3.125 -7.674 31 HG12 ILE 4 HG11 ILE 4 3.558 4.997 -6.628 32 HG13 ILE 4 HG12 ILE 4 4.472 4.407 -8.035 33 HG21 ILE 4 HG21 ILE 4 1.654 3.062 -10.041 34 HG22 ILE 4 HG22 ILE 4 2.275 4.734 -10.316 35 HG23 ILE 4 HG23 ILE 4 3.418 3.384 -9.974 36 HD11 ILE 4 HD1 ILE 4 2.732 6.972 -7.975 37 HD12 ILE 4 HD2 ILE 4 4.524 6.880 -7.949 38 HD13 ILE 4 HD3 ILE 4 3.632 6.354 -9.416 39 H LEU 5 HN LEU 5 0.036 2.740 -6.503 40 HA LEU 5 HA LEU 5 -1.448 1.436 -8.510 41 HB2 LEU 5 HB1 LEU 5 -1.423 1.270 -5.444 42 HB3 LEU 5 HB2 LEU 5 -2.499 0.254 -6.446 43 HG LEU 5 HG LEU 5 -0.598 -1.010 -5.751 44 HD11 LEU 5 HD11 LEU 5 -1.609 -1.499 -7.986 45 HD12 LEU 5 HD12 LEU 5 0.129 -1.958 -7.891 46 HD13 LEU 5 HD13 LEU 5 -0.352 -0.468 -8.775 47 HD21 LEU 5 HD21 LEU 5 1.120 0.787 -5.486 48 HD22 LEU 5 HD22 LEU 5 1.290 0.875 -7.288 49 HD23 LEU 5 HD23 LEU 5 1.721 -0.634 -6.418 50 H ALA 6 HN ALA 6 -2.482 3.703 -5.907 51 HA ALA 6 HA ALA 6 -5.209 3.717 -6.585 52 HB1 ALA 6 HB1 ALA 6 -5.253 5.858 -5.277 53 HB2 ALA 6 HB2 ALA 6 -4.281 4.604 -4.436 54 HB3 ALA 6 HB3 ALA 6 -3.450 5.924 -5.334 55 H SER 7 HN SER 7 -2.519 5.756 -7.745 56 HA SER 7 HA SER 7 -4.018 7.377 -9.469 57 HB2 SER 7 HB1 SER 7 -1.556 7.650 -8.698 58 HB3 SER 7 HB2 SER 7 -1.116 6.493 -9.983 59 HG SER 7 HG1 SER 7 -2.158 9.098 -10.113 60 H LEU 8 HN LEU 8 -2.415 4.222 -10.169 61 HA LEU 8 HA LEU 8 -3.260 4.040 -12.858 62 HB2 LEU 8 HB1 LEU 8 -2.530 1.928 -10.763 63 HB3 LEU 8 HB2 LEU 8 -2.882 1.515 -12.468 64 HG LEU 8 HG LEU 8 -0.634 3.423 -11.607 65 HD11 LEU 8 HD11 LEU 8 -0.511 0.428 -12.334 66 HD12 LEU 8 HD12 LEU 8 -0.244 1.143 -10.700 67 HD13 LEU 8 HD13 LEU 8 0.904 1.506 -12.040 68 HD21 LEU 8 HD21 LEU 8 -1.225 2.013 -14.289 69 HD22 LEU 8 HD22 LEU 8 0.241 2.987 -13.916 70 HD23 LEU 8 HD23 LEU 8 -1.376 3.785 -13.966 71 H ALA 9 HN ALA 9 -4.849 2.872 -9.816 72 HA ALA 9 HA ALA 9 -6.991 1.624 -11.042 73 HB1 ALA 9 HB1 ALA 9 -6.355 1.388 -8.632 74 HB2 ALA 9 HB2 ALA 9 -6.869 3.083 -8.333 75 HB3 ALA 9 HB3 ALA 9 -8.089 1.839 -8.803 76 H ALA 10 HN ALA 10 -6.776 5.088 -9.999 77 HA ALA 10 HA ALA 10 -9.341 5.809 -10.842 78 HB1 ALA 10 HB1 ALA 10 -6.737 7.459 -10.767 79 HB2 ALA 10 HB2 ALA 10 -8.412 8.145 -10.813 80 HB3 ALA 10 HB3 ALA 10 -7.858 7.198 -9.387 81 H LYS 11 HN LYS 11 -6.282 5.811 -12.732 82 HA LYS 11 HA LYS 11 -7.465 6.841 -15.108 83 HB2 LYS 11 HB1 LYS 11 -4.933 5.227 -14.540 84 HB3 LYS 11 HB2 LYS 11 -5.302 5.873 -16.170 85 HG2 LYS 11 HG1 LYS 11 -5.092 8.160 -15.452 86 HG3 LYS 11 HG2 LYS 11 -5.238 7.715 -13.724 87 HD2 LYS 11 HD1 LYS 11 -3.097 6.478 -13.815 88 HD3 LYS 11 HD2 LYS 11 -2.825 7.017 -15.505 89 HE2 LYS 11 HE1 LYS 11 -2.553 9.333 -14.842 90 HE3 LYS 11 HE2 LYS 11 -3.357 9.058 -13.246 91 HZ1 LYS 11 HZ1 LYS 11 -0.871 7.590 -13.834 92 HZ2 LYS 11 HZ2 LYS 11 -1.549 8.120 -12.370 93 HZ3 LYS 11 HZ3 LYS 11 -0.801 9.232 -13.379 94 H PHE 12 HN PHE 12 -6.754 3.459 -14.079 95 HA PHE 12 HA PHE 12 -7.903 2.531 -16.626 96 HB2 PHE 12 HB1 PHE 12 -5.776 1.290 -14.792 97 HB3 PHE 12 HB2 PHE 12 -6.356 0.579 -16.346 98 HD1 PHE 12 HD1 PHE 12 -3.799 2.499 -14.944 99 HD2 PHE 12 HD2 PHE 12 -6.350 2.336 -18.393 100 HE1 PHE 12 HE1 PHE 12 -2.144 3.828 -16.234 101 HE2 PHE 12 HE2 PHE 12 -4.710 3.676 -19.674 102 HZ PHE 12 HZ PHE 12 -2.608 4.425 -18.596 103 H GLY 13 HN GLY 13 -8.765 2.359 -13.248 104 HA2 GLY 13 HA1 GLY 13 -9.313 -0.241 -12.842 105 HA3 GLY 13 HA2 GLY 13 -10.277 1.113 -12.189 106 HA PRO 14 HA PRO 14 -13.579 -0.584 -14.527 107 HB2 PRO 14 HB1 PRO 14 -14.990 1.524 -15.724 108 HB3 PRO 14 HB2 PRO 14 -14.928 1.253 -13.944 109 HG2 PRO 14 HG1 PRO 14 -13.148 3.128 -15.589 110 HG3 PRO 14 HG2 PRO 14 -14.088 3.519 -14.084 111 HD2 PRO 14 HD1 PRO 14 -11.417 2.883 -13.932 112 HD3 PRO 14 HD2 PRO 14 -12.581 2.202 -12.712 113 H LYS 15 HN LYS 15 -11.214 1.152 -16.298 114 HA LYS 15 HA LYS 15 -12.062 0.438 -18.944 115 HB2 LYS 15 HB1 LYS 15 -9.151 0.944 -18.218 116 HB3 LYS 15 HB2 LYS 15 -10.014 1.357 -19.725 117 HG2 LYS 15 HG1 LYS 15 -10.298 2.727 -16.961 118 HG3 LYS 15 HG2 LYS 15 -9.308 3.309 -18.325 119 HD2 LYS 15 HD1 LYS 15 -11.275 3.838 -19.665 120 HD3 LYS 15 HD2 LYS 15 -12.354 2.960 -18.547 121 HE2 LYS 15 HE1 LYS 15 -12.554 5.441 -18.244 122 HE3 LYS 15 HE2 LYS 15 -12.009 4.598 -16.742 123 HZ1 LYS 15 HZ1 LYS 15 -9.751 5.257 -17.223 124 HZ2 LYS 15 HZ2 LYS 15 -10.750 6.601 -17.157 125 HZ3 LYS 15 HZ3 LYS 15 -10.214 6.009 -18.659 126 H LEU 16 HN LEU 16 -9.852 -0.923 -16.510 127 HA LEU 16 HA LEU 16 -8.826 -3.071 -17.889 128 HB2 LEU 16 HB1 LEU 16 -8.008 -2.041 -15.774 129 HB3 LEU 16 HB2 LEU 16 -9.367 -2.759 -14.874 130 HG LEU 16 HG LEU 16 -7.461 -4.542 -16.483 131 HD11 LEU 16 HD11 LEU 16 -6.899 -3.407 -13.671 132 HD12 LEU 16 HD12 LEU 16 -5.987 -3.012 -15.178 133 HD13 LEU 16 HD13 LEU 16 -5.943 -4.684 -14.508 134 HD21 LEU 16 HD21 LEU 16 -8.976 -4.950 -13.815 135 HD22 LEU 16 HD22 LEU 16 -7.893 -6.156 -14.598 136 HD23 LEU 16 HD23 LEU 16 -9.426 -5.678 -15.403 137 H PHE 17 HN PHE 17 -11.837 -2.910 -15.934 138 HA PHE 17 HA PHE 17 -12.551 -5.599 -16.145 139 HB2 PHE 17 HB1 PHE 17 -13.634 -3.834 -14.656 140 HB3 PHE 17 HB2 PHE 17 -14.395 -3.108 -16.115 141 HD1 PHE 17 HD1 PHE 17 -14.237 -6.143 -13.939 142 HD2 PHE 17 HD2 PHE 17 -16.336 -4.141 -17.108 143 HE1 PHE 17 HE1 PHE 17 -16.099 -7.763 -13.729 144 HE2 PHE 17 HE2 PHE 17 -18.193 -5.766 -16.906 145 HZ PHE 17 HZ PHE 17 -18.078 -7.577 -15.216 146 H CYS 18 HN CYS 18 -13.291 -2.885 -18.404 147 HA CYS 18 HA CYS 18 -14.479 -4.598 -20.330 148 HB2 CYS 18 HB1 CYS 18 -13.407 -1.746 -20.441 149 HB3 CYS 18 HB2 CYS 18 -13.919 -2.573 -21.942 150 H LEU 19 HN LEU 19 -11.047 -3.588 -19.986 151 HA LEU 19 HA LEU 19 -10.209 -4.796 -22.386 152 HB2 LEU 19 HB1 LEU 19 -8.725 -4.359 -19.749 153 HB3 LEU 19 HB2 LEU 19 -7.928 -4.954 -21.237 154 HG LEU 19 HG LEU 19 -9.391 -2.260 -21.054 155 HD11 LEU 19 HD11 LEU 19 -6.376 -2.888 -20.884 156 HD12 LEU 19 HD12 LEU 19 -7.415 -2.305 -19.531 157 HD13 LEU 19 HD13 LEU 19 -7.113 -1.245 -20.958 158 HD21 LEU 19 HD21 LEU 19 -9.262 -3.122 -23.387 159 HD22 LEU 19 HD22 LEU 19 -7.494 -3.434 -23.187 160 HD23 LEU 19 HD23 LEU 19 -8.124 -1.746 -23.160 161 H VAL 20 HN VAL 20 -10.474 -6.273 -19.111 162 HA VAL 20 HA VAL 20 -9.701 -8.871 -19.861 163 HB VAL 20 HB VAL 20 -11.551 -7.836 -17.667 164 HG11 VAL 20 HG11 VAL 20 -10.405 -10.683 -18.115 165 HG12 VAL 20 HG12 VAL 20 -11.152 -10.103 -16.582 166 HG13 VAL 20 HG13 VAL 20 -12.152 -10.227 -18.066 167 HG21 VAL 20 HG21 VAL 20 -9.121 -7.115 -17.539 168 HG22 VAL 20 HG22 VAL 20 -9.536 -8.278 -16.232 169 HG23 VAL 20 HG23 VAL 20 -8.616 -8.839 -17.675 170 H THR 21 HN THR 21 -12.886 -7.263 -19.954 171 HA THR 21 HA THR 21 -14.167 -9.564 -21.142 172 HB THR 21 HB THR 21 -15.353 -6.765 -21.039 173 HG1 THR 21 HG1 THR 21 -14.776 -7.249 -18.955 174 HG21 THR 21 HG21 THR 21 -16.635 -8.562 -22.337 175 HG22 THR 21 HG22 THR 21 -17.471 -8.114 -20.808 176 HG23 THR 21 HG23 THR 21 -16.526 -9.642 -20.892 177 H LYS 22 HN LYS 22 -11.966 -8.931 -22.622 178 HA LYS 22 HA LYS 22 -11.194 -8.765 -24.666 179 HB2 LYS 22 HB1 LYS 22 -13.084 -10.483 -24.804 180 HB3 LYS 22 HB2 LYS 22 -14.060 -9.219 -25.602 181 HG2 LYS 22 HG1 LYS 22 -12.332 -9.106 -27.448 182 HG3 LYS 22 HG2 LYS 22 -11.390 -10.403 -26.627 183 HD2 LYS 22 HD1 LYS 22 -13.273 -12.004 -26.953 184 HD3 LYS 22 HD2 LYS 22 -14.346 -10.676 -27.463 185 HE2 LYS 22 HE1 LYS 22 -13.689 -11.998 -29.443 186 HE3 LYS 22 HE2 LYS 22 -13.049 -10.311 -29.555 187 HZ1 LYS 22 HZ1 LYS 22 -10.929 -11.125 -28.752 188 HZ2 LYS 22 HZ2 LYS 22 -11.392 -11.939 -30.168 189 HZ3 LYS 22 HZ3 LYS 22 -11.523 -12.711 -28.662 190 H LYS 23 HN LYS 23 -11.667 -6.237 -23.605 191 HA LYS 23 HA LYS 23 -11.680 -4.096 -24.091 192 HB2 LYS 23 HB1 LYS 23 -10.054 -4.803 -25.917 193 HB3 LYS 23 HB2 LYS 23 -11.434 -4.769 -27.043 194 HG2 LYS 23 HG1 LYS 23 -11.613 -2.220 -25.859 195 HG3 LYS 23 HG2 LYS 23 -9.856 -2.521 -25.767 196 HD2 LYS 23 HD1 LYS 23 -10.278 -1.341 -27.819 197 HD3 LYS 23 HD2 LYS 23 -9.905 -3.038 -28.285 198 HE2 LYS 23 HE1 LYS 23 -12.383 -3.494 -28.573 199 HE3 LYS 23 HE2 LYS 23 -12.754 -1.816 -28.027 200 HZ1 LYS 23 HZ1 LYS 23 -11.177 -2.559 -30.446 201 HZ2 LYS 23 HZ2 LYS 23 -11.543 -0.981 -29.937 202 HZ3 LYS 23 HZ3 LYS 23 -12.787 -2.030 -30.413 203 H CYS 24 HN CYS 24 -14.083 -4.808 -23.406 204 HA CYS 24 HA CYS 24 -16.071 -4.309 -25.334 205 HB2 CYS 24 HB1 CYS 24 -17.718 -4.402 -23.649 206 HB3 CYS 24 HB2 CYS 24 -16.450 -5.567 -23.192 Start of MODEL 4 1 H1 PHE 1 HN PHE 1 3.045 4.785 1.089 2 HA PHE 1 HA PHE 1 5.072 4.038 -0.110 3 HB2 PHE 1 HB1 PHE 1 3.139 1.798 0.816 4 HB3 PHE 1 HB2 PHE 1 4.924 1.604 0.601 5 HD1 PHE 1 HD1 PHE 1 2.307 2.564 2.879 6 HD2 PHE 1 HD2 PHE 1 6.453 3.196 1.939 7 HE1 PHE 1 HE1 PHE 1 2.701 3.401 5.176 8 HE2 PHE 1 HE2 PHE 1 6.845 4.032 4.237 9 HZ PHE 1 HZ PHE 1 4.970 4.136 5.856 10 H LEU 2 HN LEU 2 2.033 2.491 -1.236 11 HA LEU 2 HA LEU 2 3.310 2.190 -3.901 12 HB2 LEU 2 HB1 LEU 2 1.046 0.517 -2.704 13 HB3 LEU 2 HB2 LEU 2 1.636 0.445 -4.393 14 HG LEU 2 HG LEU 2 4.001 -0.021 -3.275 15 HD11 LEU 2 HD11 LEU 2 2.043 -1.118 -1.145 16 HD12 LEU 2 HD12 LEU 2 3.287 0.163 -0.877 17 HD13 LEU 2 HD13 LEU 2 3.794 -1.515 -1.271 18 HD21 LEU 2 HD21 LEU 2 3.521 -2.462 -3.516 19 HD22 LEU 2 HD22 LEU 2 2.791 -1.513 -4.863 20 HD23 LEU 2 HD23 LEU 2 1.753 -2.121 -3.516 21 HA PRO 3 HA PRO 3 -0.383 5.038 -4.391 22 HB2 PRO 3 HB1 PRO 3 0.808 7.288 -5.542 23 HB3 PRO 3 HB2 PRO 3 0.815 7.006 -3.760 24 HG2 PRO 3 HG1 PRO 3 3.041 6.239 -5.742 25 HG3 PRO 3 HG2 PRO 3 3.191 7.233 -4.232 26 HD2 PRO 3 HD1 PRO 3 3.714 4.539 -4.185 27 HD3 PRO 3 HD2 PRO 3 2.787 5.313 -2.827 28 H ILE 4 HN ILE 4 1.970 3.568 -6.332 29 HA ILE 4 HA ILE 4 1.147 4.132 -8.927 30 HB ILE 4 HB ILE 4 2.167 1.453 -7.852 31 HG12 ILE 4 HG11 ILE 4 4.361 2.542 -8.966 32 HG13 ILE 4 HG12 ILE 4 3.614 4.073 -8.442 33 HG21 ILE 4 HG21 ILE 4 1.240 1.323 -10.179 34 HG22 ILE 4 HG22 ILE 4 2.233 2.752 -10.665 35 HG23 ILE 4 HG23 ILE 4 3.027 1.204 -10.202 36 HD11 ILE 4 HD1 ILE 4 5.258 3.093 -6.768 37 HD12 ILE 4 HD2 ILE 4 3.624 3.210 -6.042 38 HD13 ILE 4 HD3 ILE 4 4.242 1.620 -6.629 39 H LEU 5 HN LEU 5 -0.159 1.739 -6.553 40 HA LEU 5 HA LEU 5 -1.968 0.506 -8.317 41 HB2 LEU 5 HB1 LEU 5 -1.673 0.738 -5.299 42 HB3 LEU 5 HB2 LEU 5 -3.176 0.044 -5.970 43 HG LEU 5 HG LEU 5 -1.981 -1.723 -7.128 44 HD11 LEU 5 HD11 LEU 5 0.439 -2.207 -6.670 45 HD12 LEU 5 HD12 LEU 5 0.607 -0.596 -5.888 46 HD13 LEU 5 HD13 LEU 5 0.226 -0.717 -7.654 47 HD21 LEU 5 HD21 LEU 5 -1.267 -3.005 -5.112 48 HD22 LEU 5 HD22 LEU 5 -2.757 -2.050 -4.777 49 HD23 LEU 5 HD23 LEU 5 -1.162 -1.478 -4.164 50 H ALA 6 HN ALA 6 -2.483 3.280 -6.060 51 HA ALA 6 HA ALA 6 -5.171 3.720 -6.757 52 HB1 ALA 6 HB1 ALA 6 -3.007 5.683 -5.761 53 HB2 ALA 6 HB2 ALA 6 -4.788 5.975 -5.714 54 HB3 ALA 6 HB3 ALA 6 -4.065 4.665 -4.721 55 H SER 7 HN SER 7 -2.163 5.067 -8.113 56 HA SER 7 HA SER 7 -3.299 6.786 -9.999 57 HB2 SER 7 HB1 SER 7 -0.890 6.742 -9.273 58 HB3 SER 7 HB2 SER 7 -0.651 5.223 -10.183 59 HG SER 7 HG1 SER 7 -0.003 7.187 -11.236 60 H LEU 8 HN LEU 8 -2.359 3.309 -10.411 61 HA LEU 8 HA LEU 8 -3.297 3.098 -13.069 62 HB2 LEU 8 HB1 LEU 8 -2.893 1.028 -10.846 63 HB3 LEU 8 HB2 LEU 8 -3.339 0.584 -12.523 64 HG LEU 8 HG LEU 8 -0.771 2.085 -11.755 65 HD11 LEU 8 HD11 LEU 8 -1.222 -0.893 -12.426 66 HD12 LEU 8 HD12 LEU 8 -0.816 -0.216 -10.805 67 HD13 LEU 8 HD13 LEU 8 0.372 -0.095 -12.155 68 HD21 LEU 8 HD21 LEU 8 -1.439 2.541 -14.114 69 HD22 LEU 8 HD22 LEU 8 -1.653 0.768 -14.406 70 HD23 LEU 8 HD23 LEU 8 -0.019 1.436 -14.059 71 H ALA 9 HN ALA 9 -4.951 2.376 -9.915 72 HA ALA 9 HA ALA 9 -7.253 1.337 -11.012 73 HB1 ALA 9 HB1 ALA 9 -6.872 2.917 -8.399 74 HB2 ALA 9 HB2 ALA 9 -8.258 1.819 -8.764 75 HB3 ALA 9 HB3 ALA 9 -6.593 1.156 -8.612 76 H ALA 10 HN ALA 10 -6.646 4.807 -10.156 77 HA ALA 10 HA ALA 10 -9.171 5.720 -10.906 78 HB1 ALA 10 HB1 ALA 10 -8.054 7.968 -11.002 79 HB2 ALA 10 HB2 ALA 10 -7.516 7.021 -9.572 80 HB3 ALA 10 HB3 ALA 10 -6.439 7.145 -11.005 81 H LYS 11 HN LYS 11 -6.259 5.320 -12.966 82 HA LYS 11 HA LYS 11 -7.617 6.460 -15.262 83 HB2 LYS 11 HB1 LYS 11 -4.921 5.091 -14.869 84 HB3 LYS 11 HB2 LYS 11 -5.511 5.583 -16.489 85 HG2 LYS 11 HG1 LYS 11 -5.780 7.913 -15.777 86 HG3 LYS 11 HG2 LYS 11 -5.227 7.546 -14.127 87 HD2 LYS 11 HD1 LYS 11 -3.553 7.113 -16.706 88 HD3 LYS 11 HD2 LYS 11 -3.525 8.627 -15.765 89 HE2 LYS 11 HE1 LYS 11 -2.579 5.852 -14.765 90 HE3 LYS 11 HE2 LYS 11 -1.548 7.276 -15.193 91 HZ1 LYS 11 HZ1 LYS 11 -3.446 6.946 -12.964 92 HZ2 LYS 11 HZ2 LYS 11 -2.888 8.492 -13.408 93 HZ3 LYS 11 HZ3 LYS 11 -1.837 7.282 -12.844 94 H PHE 12 HN PHE 12 -6.743 3.105 -14.272 95 HA PHE 12 HA PHE 12 -8.004 2.136 -16.750 96 HB2 PHE 12 HB1 PHE 12 -5.814 0.866 -15.007 97 HB3 PHE 12 HB2 PHE 12 -6.411 0.246 -16.592 98 HD1 PHE 12 HD1 PHE 12 -3.826 2.020 -15.101 99 HD2 PHE 12 HD2 PHE 12 -6.409 2.177 -18.524 100 HE1 PHE 12 HE1 PHE 12 -2.160 3.425 -16.291 101 HE2 PHE 12 HE2 PHE 12 -4.758 3.594 -19.708 102 HZ PHE 12 HZ PHE 12 -2.635 4.222 -18.594 103 H GLY 13 HN GLY 13 -8.502 2.017 -13.292 104 HA2 GLY 13 HA1 GLY 13 -9.453 -0.551 -12.931 105 HA3 GLY 13 HA2 GLY 13 -10.014 0.918 -12.074 106 HA PRO 14 HA PRO 14 -13.826 0.449 -14.286 107 HB2 PRO 14 HB1 PRO 14 -14.400 2.926 -15.550 108 HB3 PRO 14 HB2 PRO 14 -14.584 2.592 -13.791 109 HG2 PRO 14 HG1 PRO 14 -12.156 3.861 -15.178 110 HG3 PRO 14 HG2 PRO 14 -13.048 4.451 -13.710 111 HD2 PRO 14 HD1 PRO 14 -10.748 3.025 -13.458 112 HD3 PRO 14 HD2 PRO 14 -12.147 2.635 -12.366 113 H LYS 15 HN LYS 15 -10.990 0.738 -16.075 114 HA LYS 15 HA LYS 15 -12.368 0.278 -18.645 115 HB2 LYS 15 HB1 LYS 15 -9.358 0.560 -18.226 116 HB3 LYS 15 HB2 LYS 15 -10.289 0.800 -19.733 117 HG2 LYS 15 HG1 LYS 15 -10.310 2.607 -17.222 118 HG3 LYS 15 HG2 LYS 15 -9.348 2.898 -18.695 119 HD2 LYS 15 HD1 LYS 15 -11.284 3.430 -20.017 120 HD3 LYS 15 HD2 LYS 15 -12.406 2.670 -18.855 121 HE2 LYS 15 HE1 LYS 15 -12.489 5.208 -18.808 122 HE3 LYS 15 HE2 LYS 15 -12.159 4.426 -17.215 123 HZ1 LYS 15 HZ1 LYS 15 -10.087 5.587 -19.016 124 HZ2 LYS 15 HZ2 LYS 15 -9.818 4.896 -17.501 125 HZ3 LYS 15 HZ3 LYS 15 -10.717 6.312 -17.611 126 H LEU 16 HN LEU 16 -11.000 -1.383 -15.971 127 HA LEU 16 HA LEU 16 -9.533 -3.399 -17.155 128 HB2 LEU 16 HB1 LEU 16 -9.533 -2.699 -14.776 129 HB3 LEU 16 HB2 LEU 16 -11.147 -3.408 -14.530 130 HG LEU 16 HG LEU 16 -8.845 -5.152 -15.554 131 HD11 LEU 16 HD11 LEU 16 -8.158 -5.612 -13.199 132 HD12 LEU 16 HD12 LEU 16 -9.307 -4.356 -12.611 133 HD13 LEU 16 HD13 LEU 16 -7.896 -3.882 -13.631 134 HD21 LEU 16 HD21 LEU 16 -9.996 -6.909 -14.159 135 HD22 LEU 16 HD22 LEU 16 -11.110 -6.235 -15.397 136 HD23 LEU 16 HD23 LEU 16 -11.244 -5.705 -13.678 137 H PHE 17 HN PHE 17 -13.006 -3.328 -16.357 138 HA PHE 17 HA PHE 17 -13.702 -5.879 -17.139 139 HB2 PHE 17 HB1 PHE 17 -15.414 -3.329 -17.530 140 HB3 PHE 17 HB2 PHE 17 -16.017 -5.007 -17.242 141 HD1 PHE 17 HD1 PHE 17 -15.073 -1.899 -15.714 142 HD2 PHE 17 HD2 PHE 17 -15.199 -6.142 -15.019 143 HE1 PHE 17 HE1 PHE 17 -14.888 -1.509 -13.275 144 HE2 PHE 17 HE2 PHE 17 -15.023 -5.743 -12.581 145 HZ PHE 17 HZ PHE 17 -14.861 -3.429 -11.711 146 H CYS 18 HN CYS 18 -13.373 -2.944 -19.129 147 HA CYS 18 HA CYS 18 -14.125 -4.151 -21.592 148 HB2 CYS 18 HB1 CYS 18 -12.375 -1.681 -21.080 149 HB3 CYS 18 HB2 CYS 18 -13.072 -2.153 -22.660 150 H LEU 19 HN LEU 19 -10.895 -3.755 -19.997 151 HA LEU 19 HA LEU 19 -9.445 -4.800 -22.183 152 HB2 LEU 19 HB1 LEU 19 -8.840 -4.840 -19.177 153 HB3 LEU 19 HB2 LEU 19 -7.656 -5.285 -20.444 154 HG LEU 19 HG LEU 19 -8.975 -2.518 -20.213 155 HD11 LEU 19 HD11 LEU 19 -6.786 -1.760 -19.296 156 HD12 LEU 19 HD12 LEU 19 -6.177 -3.457 -19.323 157 HD13 LEU 19 HD13 LEU 19 -7.539 -3.006 -18.231 158 HD21 LEU 19 HD21 LEU 19 -6.594 -3.519 -21.903 159 HD22 LEU 19 HD22 LEU 19 -7.123 -1.805 -21.752 160 HD23 LEU 19 HD23 LEU 19 -8.207 -3.010 -22.534 161 H VAL 20 HN VAL 20 -10.801 -6.490 -19.317 162 HA VAL 20 HA VAL 20 -9.925 -9.058 -19.964 163 HB VAL 20 HB VAL 20 -12.315 -8.054 -18.363 164 HG11 VAL 20 HG11 VAL 20 -11.153 -10.920 -18.579 165 HG12 VAL 20 HG12 VAL 20 -12.295 -10.370 -17.301 166 HG13 VAL 20 HG13 VAL 20 -12.829 -10.414 -19.015 167 HG21 VAL 20 HG21 VAL 20 -10.811 -8.623 -16.429 168 HG22 VAL 20 HG22 VAL 20 -9.529 -9.161 -17.570 169 HG23 VAL 20 HG23 VAL 20 -10.008 -7.427 -17.504 170 H THR 21 HN THR 21 -12.824 -7.329 -21.098 171 HA THR 21 HA THR 21 -13.778 -9.744 -22.465 172 HB THR 21 HB THR 21 -15.732 -8.301 -23.130 173 HG1 THR 21 HG1 THR 21 -14.729 -6.540 -21.175 174 HG21 THR 21 HG21 THR 21 -16.704 -8.258 -20.841 175 HG22 THR 21 HG22 THR 21 -15.068 -8.447 -20.107 176 HG23 THR 21 HG23 THR 21 -15.770 -9.776 -21.101 177 H LYS 22 HN LYS 22 -11.407 -7.703 -23.285 178 HA LYS 22 HA LYS 22 -10.492 -6.943 -25.129 179 HB2 LYS 22 HB1 LYS 22 -10.696 -9.419 -25.628 180 HB3 LYS 22 HB2 LYS 22 -12.092 -9.028 -26.672 181 HG2 LYS 22 HG1 LYS 22 -10.566 -7.556 -28.080 182 HG3 LYS 22 HG2 LYS 22 -9.194 -7.988 -27.007 183 HD2 LYS 22 HD1 LYS 22 -9.476 -10.401 -27.618 184 HD3 LYS 22 HD2 LYS 22 -10.869 -9.975 -28.667 185 HE2 LYS 22 HE1 LYS 22 -9.343 -8.580 -30.130 186 HE3 LYS 22 HE2 LYS 22 -7.940 -9.029 -29.081 187 HZ1 LYS 22 HZ1 LYS 22 -8.329 -11.345 -29.653 188 HZ2 LYS 22 HZ2 LYS 22 -8.083 -10.414 -31.046 189 HZ3 LYS 22 HZ3 LYS 22 -9.643 -10.925 -30.635 190 H LYS 23 HN LYS 23 -12.239 -5.275 -24.344 191 HA LYS 23 HA LYS 23 -13.208 -3.393 -24.835 192 HB2 LYS 23 HB1 LYS 23 -12.284 -2.788 -26.775 193 HB3 LYS 23 HB2 LYS 23 -12.851 -4.167 -27.707 194 HG2 LYS 23 HG1 LYS 23 -14.660 -1.832 -26.808 195 HG3 LYS 23 HG2 LYS 23 -13.762 -1.915 -28.342 196 HD2 LYS 23 HD1 LYS 23 -16.213 -3.543 -27.521 197 HD3 LYS 23 HD2 LYS 23 -15.965 -2.437 -28.876 198 HE2 LYS 23 HE1 LYS 23 -16.048 -4.543 -29.897 199 HE3 LYS 23 HE2 LYS 23 -14.273 -4.212 -29.853 200 HZ1 LYS 23 HZ1 LYS 23 -13.999 -5.816 -28.192 201 HZ2 LYS 23 HZ2 LYS 23 -15.304 -6.503 -29.028 202 HZ3 LYS 23 HZ3 LYS 23 -15.512 -5.625 -27.591 203 H CYS 24 HN CYS 24 -15.005 -3.156 -23.706 204 HA CYS 24 HA CYS 24 -17.102 -5.137 -23.995 205 HB2 CYS 24 HB1 CYS 24 -18.102 -3.996 -21.990 206 HB3 CYS 24 HB2 CYS 24 -16.451 -4.608 -21.734 Start of MODEL 5 1 H1 PHE 1 HN PHE 1 2.002 -1.733 -1.653 2 HA PHE 1 HA PHE 1 0.321 -0.074 -0.850 3 HB2 PHE 1 HB1 PHE 1 3.243 0.257 0.126 4 HB3 PHE 1 HB2 PHE 1 1.778 0.774 1.047 5 HD1 PHE 1 HD1 PHE 1 4.052 -1.930 0.439 6 HD2 PHE 1 HD2 PHE 1 -0.012 -1.043 1.518 7 HE1 PHE 1 HE1 PHE 1 3.816 -4.194 1.417 8 HE2 PHE 1 HE2 PHE 1 -0.246 -3.307 2.493 9 HZ PHE 1 HZ PHE 1 1.666 -4.884 2.442 10 H LEU 2 HN LEU 2 2.786 0.956 -2.940 11 HA LEU 2 HA LEU 2 2.979 3.640 -2.322 12 HB2 LEU 2 HB1 LEU 2 3.441 2.213 -4.998 13 HB3 LEU 2 HB2 LEU 2 3.832 3.940 -4.718 14 HG LEU 2 HG LEU 2 5.342 3.199 -2.785 15 HD11 LEU 2 HD11 LEU 2 5.051 0.456 -4.183 16 HD12 LEU 2 HD12 LEU 2 4.710 0.829 -2.445 17 HD13 LEU 2 HD13 LEU 2 6.387 0.910 -3.065 18 HD21 LEU 2 HD21 LEU 2 6.055 2.391 -5.674 19 HD22 LEU 2 HD22 LEU 2 7.222 2.761 -4.353 20 HD23 LEU 2 HD23 LEU 2 6.145 4.059 -4.983 21 HA PRO 3 HA PRO 3 -0.834 5.279 -3.845 22 HB2 PRO 3 HB1 PRO 3 -0.245 8.011 -4.191 23 HB3 PRO 3 HB2 PRO 3 -0.353 7.215 -2.578 24 HG2 PRO 3 HG1 PRO 3 2.195 7.673 -4.232 25 HG3 PRO 3 HG2 PRO 3 1.889 8.133 -2.505 26 HD2 PRO 3 HD1 PRO 3 3.181 5.799 -3.099 27 HD3 PRO 3 HD2 PRO 3 1.902 5.806 -1.802 28 H ILE 4 HN ILE 4 1.873 5.081 -5.796 29 HA ILE 4 HA ILE 4 0.962 5.997 -8.297 30 HB ILE 4 HB ILE 4 2.727 3.589 -7.634 31 HG12 ILE 4 HG11 ILE 4 3.523 6.512 -8.202 32 HG13 ILE 4 HG12 ILE 4 3.549 5.745 -6.585 33 HG21 ILE 4 HG21 ILE 4 3.622 3.947 -9.964 34 HG22 ILE 4 HG22 ILE 4 1.874 3.583 -10.013 35 HG23 ILE 4 HG23 ILE 4 2.443 5.284 -10.217 36 HD11 ILE 4 HD1 ILE 4 5.212 4.027 -7.437 37 HD12 ILE 4 HD2 ILE 4 5.302 4.937 -8.990 38 HD13 ILE 4 HD3 ILE 4 5.820 5.721 -7.461 39 H LEU 5 HN LEU 5 0.368 2.926 -6.490 40 HA LEU 5 HA LEU 5 -1.003 1.586 -8.550 41 HB2 LEU 5 HB1 LEU 5 -1.249 1.330 -5.498 42 HB3 LEU 5 HB2 LEU 5 -1.813 0.115 -6.689 43 HG LEU 5 HG LEU 5 1.109 0.967 -6.235 44 HD11 LEU 5 HD11 LEU 5 -0.397 -1.591 -5.412 45 HD12 LEU 5 HD12 LEU 5 0.148 -0.271 -4.312 46 HD13 LEU 5 HD13 LEU 5 1.362 -1.271 -5.186 47 HD21 LEU 5 HD21 LEU 5 0.776 0.203 -8.593 48 HD22 LEU 5 HD22 LEU 5 -0.084 -1.272 -7.999 49 HD23 LEU 5 HD23 LEU 5 1.665 -1.040 -7.642 50 H ALA 6 HN ALA 6 -2.223 3.638 -5.856 51 HA ALA 6 HA ALA 6 -4.942 3.485 -6.544 52 HB1 ALA 6 HB1 ALA 6 -5.150 5.527 -5.099 53 HB2 ALA 6 HB2 ALA 6 -4.085 4.298 -4.338 54 HB3 ALA 6 HB3 ALA 6 -3.357 5.732 -5.144 55 H SER 7 HN SER 7 -2.414 5.820 -7.559 56 HA SER 7 HA SER 7 -4.098 7.374 -9.176 57 HB2 SER 7 HB1 SER 7 -1.766 8.012 -8.439 58 HB3 SER 7 HB2 SER 7 -1.111 6.891 -9.671 59 HG SER 7 HG1 SER 7 -1.283 9.085 -10.350 60 H LEU 8 HN LEU 8 -2.145 4.461 -10.108 61 HA LEU 8 HA LEU 8 -2.967 4.399 -12.796 62 HB2 LEU 8 HB1 LEU 8 -2.058 2.216 -10.851 63 HB3 LEU 8 HB2 LEU 8 -2.377 1.884 -12.582 64 HG LEU 8 HG LEU 8 -0.309 3.928 -11.597 65 HD11 LEU 8 HD11 LEU 8 0.287 1.633 -10.843 66 HD12 LEU 8 HD12 LEU 8 1.391 2.189 -12.153 67 HD13 LEU 8 HD13 LEU 8 0.079 1.010 -12.523 68 HD21 LEU 8 HD21 LEU 8 -1.090 4.376 -13.930 69 HD22 LEU 8 HD22 LEU 8 -0.791 2.648 -14.367 70 HD23 LEU 8 HD23 LEU 8 0.587 3.721 -13.931 71 H ALA 9 HN ALA 9 -4.438 2.806 -9.895 72 HA ALA 9 HA ALA 9 -6.459 1.471 -11.210 73 HB1 ALA 9 HB1 ALA 9 -6.459 2.740 -8.403 74 HB2 ALA 9 HB2 ALA 9 -7.570 1.432 -8.961 75 HB3 ALA 9 HB3 ALA 9 -5.804 1.121 -8.819 76 H ALA 10 HN ALA 10 -6.524 4.850 -9.950 77 HA ALA 10 HA ALA 10 -9.126 5.443 -10.719 78 HB1 ALA 10 HB1 ALA 10 -6.644 7.260 -10.625 79 HB2 ALA 10 HB2 ALA 10 -8.369 7.830 -10.612 80 HB3 ALA 10 HB3 ALA 10 -7.720 6.861 -9.243 81 H LYS 11 HN LYS 11 -6.176 5.528 -12.807 82 HA LYS 11 HA LYS 11 -7.698 6.666 -15.004 83 HB2 LYS 11 HB1 LYS 11 -5.047 5.203 -15.363 84 HB3 LYS 11 HB2 LYS 11 -5.762 6.491 -16.375 85 HG2 LYS 11 HG1 LYS 11 -4.426 6.674 -13.631 86 HG3 LYS 11 HG2 LYS 11 -3.810 7.300 -15.175 87 HD2 LYS 11 HD1 LYS 11 -5.513 9.051 -15.279 88 HD3 LYS 11 HD2 LYS 11 -6.353 8.439 -13.826 89 HE2 LYS 11 HE1 LYS 11 -3.423 9.445 -13.823 90 HE3 LYS 11 HE2 LYS 11 -4.844 10.488 -13.416 91 HZ1 LYS 11 HZ1 LYS 11 -4.462 7.912 -12.020 92 HZ2 LYS 11 HZ2 LYS 11 -5.242 9.309 -11.491 93 HZ3 LYS 11 HZ3 LYS 11 -3.550 9.207 -11.543 94 H PHE 12 HN PHE 12 -6.514 3.428 -14.085 95 HA PHE 12 HA PHE 12 -7.379 2.358 -16.640 96 HB2 PHE 12 HB1 PHE 12 -4.960 2.313 -15.648 97 HB3 PHE 12 HB2 PHE 12 -5.558 1.028 -14.551 98 HD1 PHE 12 HD1 PHE 12 -5.278 2.045 -18.163 99 HD2 PHE 12 HD2 PHE 12 -5.645 -1.204 -15.381 100 HE1 PHE 12 HE1 PHE 12 -4.863 0.429 -19.998 101 HE2 PHE 12 HE2 PHE 12 -5.227 -2.821 -17.214 102 HZ PHE 12 HZ PHE 12 -4.826 -2.003 -19.519 103 H GLY 13 HN GLY 13 -8.414 2.114 -13.270 104 HA2 GLY 13 HA1 GLY 13 -9.619 -0.383 -13.263 105 HA3 GLY 13 HA2 GLY 13 -10.194 1.091 -12.418 106 HA PRO 14 HA PRO 14 -13.346 1.173 -15.682 107 HB2 PRO 14 HB1 PRO 14 -13.689 3.836 -16.347 108 HB3 PRO 14 HB2 PRO 14 -14.101 3.187 -14.723 109 HG2 PRO 14 HG1 PRO 14 -11.464 4.571 -15.498 110 HG3 PRO 14 HG2 PRO 14 -12.586 4.987 -14.136 111 HD2 PRO 14 HD1 PRO 14 -10.401 3.379 -13.758 112 HD3 PRO 14 HD2 PRO 14 -11.967 3.006 -12.916 113 H LYS 15 HN LYS 15 -10.964 0.272 -16.546 114 HA LYS 15 HA LYS 15 -11.279 0.646 -19.383 115 HB2 LYS 15 HB1 LYS 15 -8.407 0.447 -18.258 116 HB3 LYS 15 HB2 LYS 15 -8.886 0.546 -19.973 117 HG2 LYS 15 HG1 LYS 15 -9.186 2.720 -17.845 118 HG3 LYS 15 HG2 LYS 15 -7.839 2.632 -19.017 119 HD2 LYS 15 HD1 LYS 15 -9.249 3.121 -20.911 120 HD3 LYS 15 HD2 LYS 15 -10.749 2.842 -19.989 121 HE2 LYS 15 HE1 LYS 15 -8.799 5.210 -19.571 122 HE3 LYS 15 HE2 LYS 15 -10.455 5.260 -20.307 123 HZ1 LYS 15 HZ1 LYS 15 -11.146 4.195 -18.107 124 HZ2 LYS 15 HZ2 LYS 15 -10.795 5.860 -18.091 125 HZ3 LYS 15 HZ3 LYS 15 -9.670 4.734 -17.503 126 H LEU 16 HN LEU 16 -9.356 -0.944 -16.821 127 HA LEU 16 HA LEU 16 -8.846 -3.339 -17.903 128 HB2 LEU 16 HB1 LEU 16 -7.889 -2.286 -15.867 129 HB3 LEU 16 HB2 LEU 16 -9.362 -2.666 -14.942 130 HG LEU 16 HG LEU 16 -7.739 -4.885 -16.311 131 HD11 LEU 16 HD11 LEU 16 -6.358 -5.101 -14.240 132 HD12 LEU 16 HD12 LEU 16 -7.115 -3.609 -13.572 133 HD13 LEU 16 HD13 LEU 16 -6.082 -3.517 -15.052 134 HD21 LEU 16 HD21 LEU 16 -9.885 -5.634 -15.254 135 HD22 LEU 16 HD22 LEU 16 -9.420 -4.814 -13.713 136 HD23 LEU 16 HD23 LEU 16 -8.484 -6.230 -14.307 137 H PHE 17 HN PHE 17 -11.810 -2.587 -15.998 138 HA PHE 17 HA PHE 17 -12.870 -5.137 -15.899 139 HB2 PHE 17 HB1 PHE 17 -13.695 -3.025 -14.712 140 HB3 PHE 17 HB2 PHE 17 -14.400 -2.467 -16.268 141 HD1 PHE 17 HD1 PHE 17 -14.486 -5.188 -13.688 142 HD2 PHE 17 HD2 PHE 17 -16.528 -3.311 -16.970 143 HE1 PHE 17 HE1 PHE 17 -16.527 -6.485 -13.159 144 HE2 PHE 17 HE2 PHE 17 -18.571 -4.608 -16.440 145 HZ PHE 17 HZ PHE 17 -18.572 -6.196 -14.534 146 H CYS 18 HN CYS 18 -13.058 -2.798 -18.615 147 HA CYS 18 HA CYS 18 -14.680 -4.605 -20.206 148 HB2 CYS 18 HB1 CYS 18 -13.294 -1.919 -20.709 149 HB3 CYS 18 HB2 CYS 18 -14.014 -2.829 -22.063 150 H LEU 19 HN LEU 19 -11.258 -4.300 -19.591 151 HA LEU 19 HA LEU 19 -10.500 -5.436 -22.144 152 HB2 LEU 19 HB1 LEU 19 -8.891 -4.952 -19.593 153 HB3 LEU 19 HB2 LEU 19 -8.209 -5.574 -21.126 154 HG LEU 19 HG LEU 19 -9.567 -2.836 -20.797 155 HD11 LEU 19 HD11 LEU 19 -7.265 -1.905 -20.994 156 HD12 LEU 19 HD12 LEU 19 -6.585 -3.573 -21.056 157 HD13 LEU 19 HD13 LEU 19 -7.398 -2.988 -19.559 158 HD21 LEU 19 HD21 LEU 19 -8.030 -4.061 -23.177 159 HD22 LEU 19 HD22 LEU 19 -8.553 -2.343 -23.049 160 HD23 LEU 19 HD23 LEU 19 -9.788 -3.648 -23.139 161 H VAL 20 HN VAL 20 -11.515 -6.723 -19.042 162 HA VAL 20 HA VAL 20 -10.501 -9.313 -19.245 163 HB VAL 20 HB VAL 20 -13.198 -8.366 -18.149 164 HG11 VAL 20 HG11 VAL 20 -13.036 -10.469 -16.735 165 HG12 VAL 20 HG12 VAL 20 -13.222 -10.852 -18.479 166 HG13 VAL 20 HG13 VAL 20 -11.602 -10.987 -17.695 167 HG21 VAL 20 HG21 VAL 20 -11.281 -7.209 -17.045 168 HG22 VAL 20 HG22 VAL 20 -11.967 -8.444 -15.940 169 HG23 VAL 20 HG23 VAL 20 -10.433 -8.788 -16.818 170 H THR 21 HN THR 21 -13.440 -7.894 -20.743 171 HA THR 21 HA THR 21 -14.033 -10.343 -22.133 172 HB THR 21 HB THR 21 -15.346 -7.741 -22.934 173 HG1 THR 21 HG1 THR 21 -16.744 -8.196 -21.076 174 HG21 THR 21 HG21 THR 21 -16.371 -10.580 -22.186 175 HG22 THR 21 HG22 THR 21 -16.052 -10.019 -23.867 176 HG23 THR 21 HG23 THR 21 -17.362 -9.254 -22.903 177 H LYS 22 HN LYS 22 -11.464 -8.664 -22.680 178 HA LYS 22 HA LYS 22 -10.145 -8.103 -24.320 179 HB2 LYS 22 HB1 LYS 22 -11.035 -10.481 -24.924 180 HB3 LYS 22 HB2 LYS 22 -11.794 -9.696 -26.324 181 HG2 LYS 22 HG1 LYS 22 -8.782 -9.570 -25.558 182 HG3 LYS 22 HG2 LYS 22 -9.450 -10.864 -26.571 183 HD2 LYS 22 HD1 LYS 22 -9.338 -7.858 -27.257 184 HD3 LYS 22 HD2 LYS 22 -8.278 -9.125 -27.919 185 HE2 LYS 22 HE1 LYS 22 -11.332 -8.845 -28.412 186 HE3 LYS 22 HE2 LYS 22 -10.009 -8.464 -29.578 187 HZ1 LYS 22 HZ1 LYS 22 -9.353 -10.788 -29.503 188 HZ2 LYS 22 HZ2 LYS 22 -10.978 -10.634 -29.972 189 HZ3 LYS 22 HZ3 LYS 22 -10.592 -11.127 -28.395 190 H LYS 23 HN LYS 23 -11.948 -6.237 -23.674 191 HA LYS 23 HA LYS 23 -12.439 -4.160 -24.188 192 HB2 LYS 23 HB1 LYS 23 -10.847 -4.010 -26.107 193 HB3 LYS 23 HB2 LYS 23 -12.105 -4.704 -27.156 194 HG2 LYS 23 HG1 LYS 23 -13.531 -2.561 -26.058 195 HG3 LYS 23 HG2 LYS 23 -11.876 -1.936 -25.925 196 HD2 LYS 23 HD1 LYS 23 -12.964 -1.174 -27.995 197 HD3 LYS 23 HD2 LYS 23 -11.539 -2.179 -28.370 198 HE2 LYS 23 HE1 LYS 23 -13.571 -2.548 -29.878 199 HE3 LYS 23 HE2 LYS 23 -12.918 -4.048 -29.119 200 HZ1 LYS 23 HZ1 LYS 23 -15.407 -3.753 -29.073 201 HZ2 LYS 23 HZ2 LYS 23 -15.189 -2.558 -27.884 202 HZ3 LYS 23 HZ3 LYS 23 -14.662 -4.110 -27.607 203 H CYS 24 HN CYS 24 -14.477 -4.582 -23.275 204 HA CYS 24 HA CYS 24 -16.668 -5.360 -24.929 205 HB2 CYS 24 HB1 CYS 24 -18.127 -4.776 -23.073 206 HB3 CYS 24 HB2 CYS 24 -16.704 -5.668 -22.472 Start of MODEL 6 1 H1 PHE 1 HN PHE 1 2.716 -1.656 -2.095 2 HA PHE 1 HA PHE 1 1.741 -1.038 -4.342 3 HB2 PHE 1 HB1 PHE 1 0.109 -0.376 -1.789 4 HB3 PHE 1 HB2 PHE 1 -0.612 -0.702 -3.411 5 HD1 PHE 1 HD1 PHE 1 0.090 -2.173 -0.325 6 HD2 PHE 1 HD2 PHE 1 0.393 -2.988 -4.536 7 HE1 PHE 1 HE1 PHE 1 0.099 -4.602 0.143 8 HE2 PHE 1 HE2 PHE 1 0.403 -5.417 -4.062 9 HZ PHE 1 HZ PHE 1 0.258 -6.226 -1.722 10 H LEU 2 HN LEU 2 2.046 1.382 -1.863 11 HA LEU 2 HA LEU 2 2.002 3.596 -1.780 12 HB2 LEU 2 HB1 LEU 2 3.060 3.193 -4.627 13 HB3 LEU 2 HB2 LEU 2 3.215 4.754 -3.769 14 HG LEU 2 HG LEU 2 4.442 2.095 -2.839 15 HD11 LEU 2 HD11 LEU 2 5.456 2.933 -4.954 16 HD12 LEU 2 HD12 LEU 2 6.597 3.095 -3.568 17 HD13 LEU 2 HD13 LEU 2 5.734 4.548 -4.192 18 HD21 LEU 2 HD21 LEU 2 5.772 3.540 -1.278 19 HD22 LEU 2 HD22 LEU 2 4.019 3.618 -0.900 20 HD23 LEU 2 HD23 LEU 2 4.817 4.978 -1.782 21 HA PRO 3 HA PRO 3 -1.450 5.600 -3.863 22 HB2 PRO 3 HB1 PRO 3 -0.430 8.128 -4.750 23 HB3 PRO 3 HB2 PRO 3 -1.041 7.751 -3.097 24 HG2 PRO 3 HG1 PRO 3 1.863 7.626 -4.080 25 HG3 PRO 3 HG2 PRO 3 1.220 8.430 -2.587 26 HD2 PRO 3 HD1 PRO 3 2.317 5.972 -2.364 27 HD3 PRO 3 HD2 PRO 3 0.706 6.256 -1.577 28 H ILE 4 HN ILE 4 1.293 4.616 -5.542 29 HA ILE 4 HA ILE 4 0.664 5.324 -8.196 30 HB ILE 4 HB ILE 4 2.054 2.842 -7.089 31 HG12 ILE 4 HG11 ILE 4 3.221 4.852 -6.304 32 HG13 ILE 4 HG12 ILE 4 4.167 4.002 -7.548 33 HG21 ILE 4 HG21 ILE 4 2.008 4.050 -9.939 34 HG22 ILE 4 HG22 ILE 4 3.142 2.767 -9.378 35 HG23 ILE 4 HG23 ILE 4 1.381 2.434 -9.432 36 HD11 ILE 4 HD1 ILE 4 3.449 5.713 -9.274 37 HD12 ILE 4 HD2 ILE 4 2.521 6.591 -7.993 38 HD13 ILE 4 HD3 ILE 4 4.307 6.450 -7.878 39 H LEU 5 HN LEU 5 -0.349 2.412 -6.236 40 HA LEU 5 HA LEU 5 -1.929 1.341 -8.292 41 HB2 LEU 5 HB1 LEU 5 -1.545 0.839 -5.391 42 HB3 LEU 5 HB2 LEU 5 -3.204 0.491 -5.953 43 HG LEU 5 HG LEU 5 -2.247 -0.888 -7.848 44 HD11 LEU 5 HD11 LEU 5 0.070 -1.801 -7.579 45 HD12 LEU 5 HD12 LEU 5 0.362 -0.664 -6.214 46 HD13 LEU 5 HD13 LEU 5 0.106 -0.024 -7.878 47 HD21 LEU 5 HD21 LEU 5 -1.839 -2.879 -6.395 48 HD22 LEU 5 HD22 LEU 5 -3.245 -1.906 -5.826 49 HD23 LEU 5 HD23 LEU 5 -1.671 -1.799 -4.962 50 H ALA 6 HN ALA 6 -2.882 3.670 -5.728 51 HA ALA 6 HA ALA 6 -5.582 3.855 -6.477 52 HB1 ALA 6 HB1 ALA 6 -4.644 4.733 -4.328 53 HB2 ALA 6 HB2 ALA 6 -3.718 5.979 -5.239 54 HB3 ALA 6 HB3 ALA 6 -5.523 6.023 -5.218 55 H SER 7 HN SER 7 -2.747 5.702 -7.620 56 HA SER 7 HA SER 7 -4.089 7.368 -9.426 57 HB2 SER 7 HB1 SER 7 -1.626 7.463 -8.580 58 HB3 SER 7 HB2 SER 7 -1.243 6.254 -9.832 59 HG SER 7 HG1 SER 7 -2.004 8.941 -10.010 60 H LEU 8 HN LEU 8 -2.640 4.101 -9.998 61 HA LEU 8 HA LEU 8 -3.378 3.919 -12.714 62 HB2 LEU 8 HB1 LEU 8 -2.868 1.798 -10.564 63 HB3 LEU 8 HB2 LEU 8 -3.150 1.385 -12.283 64 HG LEU 8 HG LEU 8 -0.853 3.178 -11.312 65 HD11 LEU 8 HD11 LEU 8 0.601 1.183 -11.655 66 HD12 LEU 8 HD12 LEU 8 -0.849 0.179 -12.028 67 HD13 LEU 8 HD13 LEU 8 -0.637 0.884 -10.382 68 HD21 LEU 8 HD21 LEU 8 -1.445 3.572 -13.707 69 HD22 LEU 8 HD22 LEU 8 -1.382 1.793 -14.020 70 HD23 LEU 8 HD23 LEU 8 0.117 2.680 -13.572 71 H ALA 9 HN ALA 9 -5.164 2.862 -9.746 72 HA ALA 9 HA ALA 9 -7.330 1.750 -11.076 73 HB1 ALA 9 HB1 ALA 9 -6.814 1.456 -8.644 74 HB2 ALA 9 HB2 ALA 9 -7.208 3.183 -8.352 75 HB3 ALA 9 HB3 ALA 9 -8.501 2.038 -8.876 76 H ALA 10 HN ALA 10 -6.940 5.180 -9.958 77 HA ALA 10 HA ALA 10 -9.422 6.060 -10.888 78 HB1 ALA 10 HB1 ALA 10 -6.749 7.572 -10.615 79 HB2 ALA 10 HB2 ALA 10 -8.385 8.342 -10.714 80 HB3 ALA 10 HB3 ALA 10 -7.951 7.311 -9.305 81 H LYS 11 HN LYS 11 -6.268 6.031 -12.640 82 HA LYS 11 HA LYS 11 -7.389 7.157 -15.016 83 HB2 LYS 11 HB1 LYS 11 -4.801 5.762 -14.316 84 HB3 LYS 11 HB2 LYS 11 -5.180 6.056 -16.041 85 HG2 LYS 11 HG1 LYS 11 -5.322 8.426 -15.796 86 HG3 LYS 11 HG2 LYS 11 -5.333 8.344 -14.012 87 HD2 LYS 11 HD1 LYS 11 -2.909 7.493 -15.733 88 HD3 LYS 11 HD2 LYS 11 -3.170 9.142 -15.060 89 HE2 LYS 11 HE1 LYS 11 -3.415 8.069 -12.742 90 HE3 LYS 11 HE2 LYS 11 -2.807 6.523 -13.447 91 HZ1 LYS 11 HZ1 LYS 11 -1.311 9.095 -13.597 92 HZ2 LYS 11 HZ2 LYS 11 -0.719 7.509 -13.837 93 HZ3 LYS 11 HZ3 LYS 11 -1.240 8.020 -12.299 94 H PHE 12 HN PHE 12 -6.811 3.707 -14.089 95 HA PHE 12 HA PHE 12 -7.919 2.975 -16.728 96 HB2 PHE 12 HB1 PHE 12 -5.918 1.506 -14.920 97 HB3 PHE 12 HB2 PHE 12 -6.459 0.961 -16.552 98 HD1 PHE 12 HD1 PHE 12 -3.891 2.627 -14.866 99 HD2 PHE 12 HD2 PHE 12 -6.253 2.873 -18.442 100 HE1 PHE 12 HE1 PHE 12 -2.108 3.970 -15.952 101 HE2 PHE 12 HE2 PHE 12 -4.484 4.230 -19.520 102 HZ PHE 12 HZ PHE 12 -2.413 4.781 -18.278 103 H GLY 13 HN GLY 13 -8.884 2.646 -13.388 104 HA2 GLY 13 HA1 GLY 13 -9.464 0.064 -13.087 105 HA3 GLY 13 HA2 GLY 13 -10.480 1.390 -12.459 106 HA PRO 14 HA PRO 14 -13.679 -0.293 -14.918 107 HB2 PRO 14 HB1 PRO 14 -14.991 1.795 -16.272 108 HB3 PRO 14 HB2 PRO 14 -15.043 1.572 -14.486 109 HG2 PRO 14 HG1 PRO 14 -13.136 3.386 -16.064 110 HG3 PRO 14 HG2 PRO 14 -14.166 3.822 -14.632 111 HD2 PRO 14 HD1 PRO 14 -11.525 3.165 -14.280 112 HD3 PRO 14 HD2 PRO 14 -12.776 2.506 -13.136 113 H LYS 15 HN LYS 15 -11.258 1.415 -16.680 114 HA LYS 15 HA LYS 15 -12.009 0.509 -19.309 115 HB2 LYS 15 HB1 LYS 15 -9.259 1.481 -18.353 116 HB3 LYS 15 HB2 LYS 15 -9.853 1.390 -20.039 117 HG2 LYS 15 HG1 LYS 15 -11.607 3.122 -19.486 118 HG3 LYS 15 HG2 LYS 15 -10.959 3.226 -17.813 119 HD2 LYS 15 HD1 LYS 15 -8.715 3.946 -18.752 120 HD3 LYS 15 HD2 LYS 15 -9.402 3.859 -20.396 121 HE2 LYS 15 HE1 LYS 15 -9.338 6.207 -19.666 122 HE3 LYS 15 HE2 LYS 15 -11.063 5.683 -19.810 123 HZ1 LYS 15 HZ1 LYS 15 -9.486 5.728 -17.288 124 HZ2 LYS 15 HZ2 LYS 15 -11.128 5.384 -17.425 125 HZ3 LYS 15 HZ3 LYS 15 -10.552 6.949 -17.758 126 H LEU 16 HN LEU 16 -9.741 -0.545 -16.767 127 HA LEU 16 HA LEU 16 -8.706 -2.817 -17.990 128 HB2 LEU 16 HB1 LEU 16 -7.869 -1.537 -15.985 129 HB3 LEU 16 HB2 LEU 16 -9.167 -2.251 -14.995 130 HG LEU 16 HG LEU 16 -7.128 -3.980 -16.520 131 HD11 LEU 16 HD11 LEU 16 -6.792 -2.767 -13.704 132 HD12 LEU 16 HD12 LEU 16 -5.842 -2.321 -15.174 133 HD13 LEU 16 HD13 LEU 16 -5.701 -3.976 -14.474 134 HD21 LEU 16 HD21 LEU 16 -8.764 -4.466 -13.939 135 HD22 LEU 16 HD22 LEU 16 -7.516 -5.581 -14.601 136 HD23 LEU 16 HD23 LEU 16 -9.018 -5.278 -15.532 137 H PHE 17 HN PHE 17 -11.602 -2.446 -15.879 138 HA PHE 17 HA PHE 17 -12.414 -5.104 -15.888 139 HB2 PHE 17 HB1 PHE 17 -13.328 -3.187 -14.466 140 HB3 PHE 17 HB2 PHE 17 -14.187 -2.565 -15.919 141 HD1 PHE 17 HD1 PHE 17 -13.850 -5.528 -13.635 142 HD2 PHE 17 HD2 PHE 17 -16.293 -3.489 -16.520 143 HE1 PHE 17 HE1 PHE 17 -15.738 -7.040 -13.103 144 HE2 PHE 17 HE2 PHE 17 -18.184 -5.001 -15.988 145 HZ PHE 17 HZ PHE 17 -17.908 -6.777 -14.277 146 H CYS 18 HN CYS 18 -13.231 -2.531 -18.285 147 HA CYS 18 HA CYS 18 -14.617 -4.245 -20.036 148 HB2 CYS 18 HB1 CYS 18 -13.153 -1.591 -20.398 149 HB3 CYS 18 HB2 CYS 18 -13.848 -2.423 -21.819 150 H LEU 19 HN LEU 19 -11.091 -3.754 -19.746 151 HA LEU 19 HA LEU 19 -10.495 -5.032 -22.212 152 HB2 LEU 19 HB1 LEU 19 -8.818 -4.417 -19.745 153 HB3 LEU 19 HB2 LEU 19 -8.138 -5.241 -21.180 154 HG LEU 19 HG LEU 19 -9.476 -2.484 -21.313 155 HD11 LEU 19 HD11 LEU 19 -7.450 -2.401 -19.860 156 HD12 LEU 19 HD12 LEU 19 -7.155 -1.567 -21.433 157 HD13 LEU 19 HD13 LEU 19 -6.484 -3.215 -21.147 158 HD21 LEU 19 HD21 LEU 19 -7.698 -4.022 -23.313 159 HD22 LEU 19 HD22 LEU 19 -8.265 -2.325 -23.509 160 HD23 LEU 19 HD23 LEU 19 -9.457 -3.675 -23.510 161 H VAL 20 HN VAL 20 -11.324 -6.415 -19.081 162 HA VAL 20 HA VAL 20 -10.186 -8.941 -19.378 163 HB VAL 20 HB VAL 20 -12.881 -8.191 -18.141 164 HG11 VAL 20 HG11 VAL 20 -11.074 -10.688 -17.791 165 HG12 VAL 20 HG12 VAL 20 -12.495 -10.285 -16.759 166 HG13 VAL 20 HG13 VAL 20 -12.735 -10.668 -18.497 167 HG21 VAL 20 HG21 VAL 20 -11.537 -8.198 -15.993 168 HG22 VAL 20 HG22 VAL 20 -10.026 -8.403 -16.955 169 HG23 VAL 20 HG23 VAL 20 -11.016 -6.900 -17.116 170 H THR 21 HN THR 21 -13.247 -7.671 -20.744 171 HA THR 21 HA THR 21 -13.781 -10.159 -22.111 172 HB THR 21 HB THR 21 -15.286 -7.608 -22.742 173 HG1 THR 21 HG1 THR 21 -16.573 -8.173 -20.893 174 HG21 THR 21 HG21 THR 21 -16.102 -10.557 -22.175 175 HG22 THR 21 HG22 THR 21 -15.902 -9.854 -23.820 176 HG23 THR 21 HG23 THR 21 -17.208 -9.251 -22.743 177 H LYS 22 HN LYS 22 -11.331 -8.426 -22.774 178 HA LYS 22 HA LYS 22 -10.108 -7.778 -24.455 179 HB2 LYS 22 HB1 LYS 22 -10.934 -10.061 -25.373 180 HB3 LYS 22 HB2 LYS 22 -11.983 -9.090 -26.449 181 HG2 LYS 22 HG1 LYS 22 -9.692 -7.841 -27.066 182 HG3 LYS 22 HG2 LYS 22 -8.909 -9.292 -26.383 183 HD2 LYS 22 HD1 LYS 22 -10.974 -9.153 -28.678 184 HD3 LYS 22 HD2 LYS 22 -9.201 -9.345 -28.877 185 HE2 LYS 22 HE1 LYS 22 -9.309 -11.593 -27.723 186 HE3 LYS 22 HE2 LYS 22 -11.102 -11.412 -27.550 187 HZ1 LYS 22 HZ1 LYS 22 -10.515 -12.711 -29.491 188 HZ2 LYS 22 HZ2 LYS 22 -9.588 -11.437 -30.119 189 HZ3 LYS 22 HZ3 LYS 22 -11.263 -11.261 -29.952 190 H LYS 23 HN LYS 23 -11.917 -5.968 -23.498 191 HA LYS 23 HA LYS 23 -12.396 -3.839 -23.809 192 HB2 LYS 23 HB1 LYS 23 -10.727 -3.766 -25.699 193 HB3 LYS 23 HB2 LYS 23 -12.058 -4.017 -26.840 194 HG2 LYS 23 HG1 LYS 23 -11.808 -1.680 -24.819 195 HG3 LYS 23 HG2 LYS 23 -11.215 -1.626 -26.495 196 HD2 LYS 23 HD1 LYS 23 -14.177 -1.782 -25.637 197 HD3 LYS 23 HD2 LYS 23 -13.271 -0.385 -26.251 198 HE2 LYS 23 HE1 LYS 23 -14.245 -0.902 -28.236 199 HE3 LYS 23 HE2 LYS 23 -12.829 -2.011 -28.401 200 HZ1 LYS 23 HZ1 LYS 23 -14.282 -3.769 -27.436 201 HZ2 LYS 23 HZ2 LYS 23 -14.923 -3.150 -28.884 202 HZ3 LYS 23 HZ3 LYS 23 -15.535 -2.713 -27.357 203 H CYS 24 HN CYS 24 -14.457 -4.114 -23.004 204 HA CYS 24 HA CYS 24 -16.572 -5.158 -24.560 205 HB2 CYS 24 HB1 CYS 24 -18.032 -4.526 -22.682 206 HB3 CYS 24 HB2 CYS 24 -16.528 -5.285 -22.096 Start of MODEL 7 1 H1 PHE 1 HN PHE 1 -0.551 -1.875 -3.461 2 HA PHE 1 HA PHE 1 1.175 -0.556 -2.252 3 HB2 PHE 1 HB1 PHE 1 1.837 -1.322 -5.165 4 HB3 PHE 1 HB2 PHE 1 3.051 -1.074 -3.852 5 HD1 PHE 1 HD1 PHE 1 0.767 -3.414 -5.404 6 HD2 PHE 1 HD2 PHE 1 2.893 -2.553 -1.771 7 HE1 PHE 1 HE1 PHE 1 0.478 -5.768 -4.675 8 HE2 PHE 1 HE2 PHE 1 2.602 -4.901 -1.043 9 HZ PHE 1 HZ PHE 1 1.394 -6.509 -2.491 10 H LEU 2 HN LEU 2 1.460 1.489 -1.777 11 HA LEU 2 HA LEU 2 1.844 3.648 -1.878 12 HB2 LEU 2 HB1 LEU 2 3.125 2.779 -4.511 13 HB3 LEU 2 HB2 LEU 2 3.124 4.496 -4.054 14 HG LEU 2 HG LEU 2 4.250 3.872 -1.859 15 HD11 LEU 2 HD11 LEU 2 3.871 1.419 -1.735 16 HD12 LEU 2 HD12 LEU 2 5.628 1.757 -1.881 17 HD13 LEU 2 HD13 LEU 2 4.708 1.189 -3.321 18 HD21 LEU 2 HD21 LEU 2 5.732 3.293 -4.500 19 HD22 LEU 2 HD22 LEU 2 6.488 3.770 -2.937 20 HD23 LEU 2 HD23 LEU 2 5.412 4.928 -3.800 21 HA PRO 3 HA PRO 3 -1.335 5.808 -4.184 22 HB2 PRO 3 HB1 PRO 3 -0.109 8.193 -5.189 23 HB3 PRO 3 HB2 PRO 3 -0.744 7.958 -3.517 24 HG2 PRO 3 HG1 PRO 3 2.137 7.540 -4.487 25 HG3 PRO 3 HG2 PRO 3 1.566 8.482 -3.046 26 HD2 PRO 3 HD1 PRO 3 2.457 5.955 -2.687 27 HD3 PRO 3 HD2 PRO 3 0.888 6.424 -1.902 28 H ILE 4 HN ILE 4 1.367 4.528 -5.739 29 HA ILE 4 HA ILE 4 0.864 5.152 -8.447 30 HB ILE 4 HB ILE 4 2.092 2.663 -7.168 31 HG12 ILE 4 HG11 ILE 4 3.475 5.180 -8.285 32 HG13 ILE 4 HG12 ILE 4 3.212 4.871 -6.542 33 HG21 ILE 4 HG21 ILE 4 3.188 2.362 -9.429 34 HG22 ILE 4 HG22 ILE 4 1.412 2.246 -9.559 35 HG23 ILE 4 HG23 ILE 4 2.253 3.762 -10.067 36 HD11 ILE 4 HD1 ILE 4 5.498 4.219 -7.092 37 HD12 ILE 4 HD2 ILE 4 4.555 2.735 -6.712 38 HD13 ILE 4 HD3 ILE 4 4.944 3.146 -8.423 39 H LEU 5 HN LEU 5 -0.228 2.303 -6.429 40 HA LEU 5 HA LEU 5 -1.853 1.258 -8.466 41 HB2 LEU 5 HB1 LEU 5 -1.414 0.770 -5.550 42 HB3 LEU 5 HB2 LEU 5 -3.020 0.276 -6.148 43 HG LEU 5 HG LEU 5 -1.379 -1.554 -6.160 44 HD11 LEU 5 HD11 LEU 5 -2.358 -0.820 -8.994 45 HD12 LEU 5 HD12 LEU 5 -3.347 -1.585 -7.693 46 HD13 LEU 5 HD13 LEU 5 -1.934 -2.462 -8.387 47 HD21 LEU 5 HD21 LEU 5 0.079 -0.082 -8.448 48 HD22 LEU 5 HD22 LEU 5 0.439 -1.724 -7.801 49 HD23 LEU 5 HD23 LEU 5 0.692 -0.272 -6.764 50 H ALA 6 HN ALA 6 -2.684 3.540 -5.839 51 HA ALA 6 HA ALA 6 -5.409 3.751 -6.447 52 HB1 ALA 6 HB1 ALA 6 -4.331 4.654 -4.371 53 HB2 ALA 6 HB2 ALA 6 -3.469 5.888 -5.358 54 HB3 ALA 6 HB3 ALA 6 -5.269 5.930 -5.218 55 H SER 7 HN SER 7 -2.628 5.562 -7.815 56 HA SER 7 HA SER 7 -4.159 7.140 -9.573 57 HB2 SER 7 HB1 SER 7 -1.686 7.452 -8.894 58 HB3 SER 7 HB2 SER 7 -1.287 6.201 -10.105 59 HG SER 7 HG1 SER 7 -1.137 8.127 -11.111 60 H LEU 8 HN LEU 8 -2.612 3.904 -10.141 61 HA LEU 8 HA LEU 8 -3.460 3.669 -12.811 62 HB2 LEU 8 HB1 LEU 8 -2.873 1.579 -10.648 63 HB3 LEU 8 HB2 LEU 8 -3.211 1.139 -12.351 64 HG LEU 8 HG LEU 8 -0.897 2.968 -11.496 65 HD11 LEU 8 HD11 LEU 8 0.564 0.981 -11.843 66 HD12 LEU 8 HD12 LEU 8 -0.887 -0.046 -12.148 67 HD13 LEU 8 HD13 LEU 8 -0.630 0.694 -10.524 68 HD21 LEU 8 HD21 LEU 8 -0.007 2.432 -13.780 69 HD22 LEU 8 HD22 LEU 8 -1.581 3.300 -13.879 70 HD23 LEU 8 HD23 LEU 8 -1.511 1.516 -14.153 71 H ALA 9 HN ALA 9 -5.140 2.586 -9.781 72 HA ALA 9 HA ALA 9 -7.365 1.510 -11.063 73 HB1 ALA 9 HB1 ALA 9 -6.778 1.164 -8.653 74 HB2 ALA 9 HB2 ALA 9 -7.126 2.893 -8.317 75 HB3 ALA 9 HB3 ALA 9 -8.461 1.782 -8.815 76 H ALA 10 HN ALA 10 -6.882 4.887 -9.871 77 HA ALA 10 HA ALA 10 -9.370 5.845 -10.660 78 HB1 ALA 10 HB1 ALA 10 -8.288 8.103 -10.431 79 HB2 ALA 10 HB2 ALA 10 -7.862 6.998 -9.076 80 HB3 ALA 10 HB3 ALA 10 -6.666 7.280 -10.387 81 H LYS 11 HN LYS 11 -6.345 5.713 -12.652 82 HA LYS 11 HA LYS 11 -7.831 7.093 -14.792 83 HB2 LYS 11 HB1 LYS 11 -4.875 6.370 -14.522 84 HB3 LYS 11 HB2 LYS 11 -5.608 7.062 -16.000 85 HG2 LYS 11 HG1 LYS 11 -4.723 8.943 -15.035 86 HG3 LYS 11 HG2 LYS 11 -6.437 9.039 -14.515 87 HD2 LYS 11 HD1 LYS 11 -5.775 8.085 -12.283 88 HD3 LYS 11 HD2 LYS 11 -4.087 7.917 -12.866 89 HE2 LYS 11 HE1 LYS 11 -3.875 10.411 -13.032 90 HE3 LYS 11 HE2 LYS 11 -5.576 10.597 -12.432 91 HZ1 LYS 11 HZ1 LYS 11 -4.952 9.495 -10.406 92 HZ2 LYS 11 HZ2 LYS 11 -3.855 10.764 -10.673 93 HZ3 LYS 11 HZ3 LYS 11 -3.406 9.162 -10.983 94 H PHE 12 HN PHE 12 -7.219 3.785 -13.959 95 HA PHE 12 HA PHE 12 -7.973 3.038 -16.718 96 HB2 PHE 12 HB1 PHE 12 -5.704 1.805 -15.025 97 HB3 PHE 12 HB2 PHE 12 -6.350 1.057 -16.522 98 HD1 PHE 12 HD1 PHE 12 -4.366 3.857 -15.165 99 HD2 PHE 12 HD2 PHE 12 -5.890 1.962 -18.695 100 HE1 PHE 12 HE1 PHE 12 -2.817 5.209 -16.554 101 HE2 PHE 12 HE2 PHE 12 -4.336 3.304 -20.092 102 HZ PHE 12 HZ PHE 12 -2.809 4.940 -19.019 103 H GLY 13 HN GLY 13 -8.915 2.623 -13.435 104 HA2 GLY 13 HA1 GLY 13 -9.574 0.030 -13.208 105 HA3 GLY 13 HA2 GLY 13 -10.574 1.393 -12.627 106 HA PRO 14 HA PRO 14 -13.690 0.019 -15.392 107 HB2 PRO 14 HB1 PRO 14 -14.513 2.156 -17.053 108 HB3 PRO 14 HB2 PRO 14 -14.889 2.025 -15.296 109 HG2 PRO 14 HG1 PRO 14 -12.558 3.552 -16.579 110 HG3 PRO 14 HG2 PRO 14 -13.744 4.152 -15.344 111 HD2 PRO 14 HD1 PRO 14 -11.287 3.248 -14.566 112 HD3 PRO 14 HD2 PRO 14 -12.756 2.754 -13.613 113 H LYS 15 HN LYS 15 -10.948 1.446 -17.055 114 HA LYS 15 HA LYS 15 -11.472 0.253 -19.612 115 HB2 LYS 15 HB1 LYS 15 -8.787 1.085 -18.381 116 HB3 LYS 15 HB2 LYS 15 -9.079 0.717 -20.107 117 HG2 LYS 15 HG1 LYS 15 -10.526 2.711 -20.343 118 HG3 LYS 15 HG2 LYS 15 -10.438 3.024 -18.579 119 HD2 LYS 15 HD1 LYS 15 -7.935 3.210 -18.766 120 HD3 LYS 15 HD2 LYS 15 -8.065 3.124 -20.549 121 HE2 LYS 15 HE1 LYS 15 -9.182 5.285 -20.674 122 HE3 LYS 15 HE2 LYS 15 -9.586 5.259 -18.908 123 HZ1 LYS 15 HZ1 LYS 15 -7.381 5.534 -18.334 124 HZ2 LYS 15 HZ2 LYS 15 -7.676 6.703 -19.514 125 HZ3 LYS 15 HZ3 LYS 15 -6.778 5.302 -19.896 126 H LEU 16 HN LEU 16 -9.574 -0.720 -16.728 127 HA LEU 16 HA LEU 16 -8.609 -3.152 -17.678 128 HB2 LEU 16 HB1 LEU 16 -7.875 -1.775 -15.689 129 HB3 LEU 16 HB2 LEU 16 -9.301 -2.344 -14.786 130 HG LEU 16 HG LEU 16 -7.226 -4.273 -15.991 131 HD11 LEU 16 HD11 LEU 16 -7.134 -2.923 -13.220 132 HD12 LEU 16 HD12 LEU 16 -6.005 -2.607 -14.593 133 HD13 LEU 16 HD13 LEU 16 -6.035 -4.226 -13.801 134 HD21 LEU 16 HD21 LEU 16 -9.165 -4.529 -13.595 135 HD22 LEU 16 HD22 LEU 16 -7.912 -5.740 -14.046 136 HD23 LEU 16 HD23 LEU 16 -9.279 -5.421 -15.161 137 H PHE 17 HN PHE 17 -11.632 -2.432 -15.861 138 HA PHE 17 HA PHE 17 -12.643 -5.023 -15.774 139 HB2 PHE 17 HB1 PHE 17 -13.501 -2.971 -14.527 140 HB3 PHE 17 HB2 PHE 17 -14.178 -2.349 -16.072 141 HD1 PHE 17 HD1 PHE 17 -14.297 -5.242 -13.671 142 HD2 PHE 17 HD2 PHE 17 -16.323 -3.073 -16.775 143 HE1 PHE 17 HE1 PHE 17 -16.357 -6.545 -13.234 144 HE2 PHE 17 HE2 PHE 17 -18.387 -4.375 -16.339 145 HZ PHE 17 HZ PHE 17 -18.405 -6.113 -14.567 146 H CYS 18 HN CYS 18 -13.099 -2.541 -18.354 147 HA CYS 18 HA CYS 18 -14.531 -4.232 -20.085 148 HB2 CYS 18 HB1 CYS 18 -12.825 -1.735 -20.517 149 HB3 CYS 18 HB2 CYS 18 -13.568 -2.571 -21.913 150 H LEU 19 HN LEU 19 -10.994 -3.987 -19.656 151 HA LEU 19 HA LEU 19 -10.378 -5.417 -22.023 152 HB2 LEU 19 HB1 LEU 19 -8.810 -4.789 -19.491 153 HB3 LEU 19 HB2 LEU 19 -8.101 -5.765 -20.812 154 HG LEU 19 HG LEU 19 -9.216 -2.943 -21.250 155 HD11 LEU 19 HD11 LEU 19 -6.833 -2.186 -21.226 156 HD12 LEU 19 HD12 LEU 19 -6.308 -3.845 -20.753 157 HD13 LEU 19 HD13 LEU 19 -7.327 -2.869 -19.630 158 HD21 LEU 19 HD21 LEU 19 -7.816 -3.036 -23.335 159 HD22 LEU 19 HD22 LEU 19 -9.093 -4.307 -23.341 160 HD23 LEU 19 HD23 LEU 19 -7.384 -4.744 -22.962 161 H VAL 20 HN VAL 20 -11.459 -6.608 -18.888 162 HA VAL 20 HA VAL 20 -10.521 -9.230 -19.053 163 HB VAL 20 HB VAL 20 -13.199 -8.221 -17.969 164 HG11 VAL 20 HG11 VAL 20 -13.223 -10.716 -18.230 165 HG12 VAL 20 HG12 VAL 20 -11.603 -10.828 -17.440 166 HG13 VAL 20 HG13 VAL 20 -13.037 -10.282 -16.497 167 HG21 VAL 20 HG21 VAL 20 -11.955 -8.242 -15.761 168 HG22 VAL 20 HG22 VAL 20 -10.423 -8.592 -16.645 169 HG23 VAL 20 HG23 VAL 20 -11.293 -7.030 -16.905 170 H THR 21 HN THR 21 -13.397 -7.749 -20.595 171 HA THR 21 HA THR 21 -14.073 -10.230 -21.924 172 HB THR 21 HB THR 21 -15.363 -7.592 -22.664 173 HG1 THR 21 HG1 THR 21 -16.762 -8.034 -20.854 174 HG21 THR 21 HG21 THR 21 -16.099 -9.807 -23.722 175 HG22 THR 21 HG22 THR 21 -17.397 -9.087 -22.710 176 HG23 THR 21 HG23 THR 21 -16.414 -10.459 -22.073 177 H LYS 22 HN LYS 22 -11.491 -8.618 -22.511 178 HA LYS 22 HA LYS 22 -10.177 -8.048 -24.151 179 HB2 LYS 22 HB1 LYS 22 -11.012 -10.344 -25.016 180 HB3 LYS 22 HB2 LYS 22 -11.987 -9.397 -26.180 181 HG2 LYS 22 HG1 LYS 22 -9.653 -8.223 -26.751 182 HG3 LYS 22 HG2 LYS 22 -8.922 -9.642 -25.951 183 HD2 LYS 22 HD1 LYS 22 -10.870 -9.613 -28.350 184 HD3 LYS 22 HD2 LYS 22 -9.092 -9.832 -28.449 185 HE2 LYS 22 HE1 LYS 22 -9.284 -12.010 -27.176 186 HE3 LYS 22 HE2 LYS 22 -11.080 -11.802 -27.101 187 HZ1 LYS 22 HZ1 LYS 22 -11.125 -11.787 -29.512 188 HZ2 LYS 22 HZ2 LYS 22 -10.417 -13.215 -28.934 189 HZ3 LYS 22 HZ3 LYS 22 -9.447 -11.987 -29.588 190 H LYS 23 HN LYS 23 -11.951 -6.144 -23.353 191 HA LYS 23 HA LYS 23 -12.333 -4.017 -23.776 192 HB2 LYS 23 HB1 LYS 23 -10.665 -4.075 -25.662 193 HB3 LYS 23 HB2 LYS 23 -11.998 -4.364 -26.794 194 HG2 LYS 23 HG1 LYS 23 -11.711 -1.921 -24.907 195 HG3 LYS 23 HG2 LYS 23 -11.110 -1.975 -26.581 196 HD2 LYS 23 HD1 LYS 23 -14.077 -2.021 -25.730 197 HD3 LYS 23 HD2 LYS 23 -13.141 -0.684 -26.423 198 HE2 LYS 23 HE1 LYS 23 -14.120 -1.300 -28.377 199 HE3 LYS 23 HE2 LYS 23 -12.727 -2.445 -28.470 200 HZ1 LYS 23 HZ1 LYS 23 -14.219 -4.112 -27.406 201 HZ2 LYS 23 HZ2 LYS 23 -14.844 -3.568 -28.890 202 HZ3 LYS 23 HZ3 LYS 23 -15.449 -3.027 -27.395 203 H CYS 24 HN CYS 24 -14.398 -4.149 -22.968 204 HA CYS 24 HA CYS 24 -16.547 -5.253 -24.434 205 HB2 CYS 24 HB1 CYS 24 -17.969 -4.414 -22.590 206 HB3 CYS 24 HB2 CYS 24 -16.495 -5.206 -21.971 Start of MODEL 8 1 H1 PHE 1 HN PHE 1 0.872 -1.779 -2.268 2 HA PHE 1 HA PHE 1 -0.239 -0.022 -0.938 3 HB2 PHE 1 HB1 PHE 1 2.828 -0.271 -0.559 4 HB3 PHE 1 HB2 PHE 1 1.666 0.304 0.700 5 HD1 PHE 1 HD1 PHE 1 3.280 -2.576 -0.713 6 HD2 PHE 1 HD2 PHE 1 -0.277 -1.287 1.324 7 HE1 PHE 1 HE1 PHE 1 2.842 -4.909 0.001 8 HE2 PHE 1 HE2 PHE 1 -0.715 -3.617 2.034 9 HZ PHE 1 HZ PHE 1 0.842 -5.430 1.373 10 H LEU 2 HN LEU 2 2.407 0.939 -3.017 11 HA LEU 2 HA LEU 2 2.593 3.610 -2.244 12 HB2 LEU 2 HB1 LEU 2 3.289 2.229 -4.896 13 HB3 LEU 2 HB2 LEU 2 3.615 3.964 -4.594 14 HG LEU 2 HG LEU 2 5.012 3.303 -2.577 15 HD11 LEU 2 HD11 LEU 2 4.372 0.947 -2.178 16 HD12 LEU 2 HD12 LEU 2 6.090 1.020 -2.675 17 HD13 LEU 2 HD13 LEU 2 4.847 0.499 -3.867 18 HD21 LEU 2 HD21 LEU 2 6.994 2.826 -4.000 19 HD22 LEU 2 HD22 LEU 2 5.945 4.077 -4.758 20 HD23 LEU 2 HD23 LEU 2 5.922 2.378 -5.376 21 HA PRO 3 HA PRO 3 -1.073 5.327 -3.947 22 HB2 PRO 3 HB1 PRO 3 -0.400 8.032 -4.398 23 HB3 PRO 3 HB2 PRO 3 -0.589 7.303 -2.761 24 HG2 PRO 3 HG1 PRO 3 2.028 7.629 -4.337 25 HG3 PRO 3 HG2 PRO 3 1.674 8.156 -2.638 26 HD2 PRO 3 HD1 PRO 3 2.923 5.774 -3.098 27 HD3 PRO 3 HD2 PRO 3 1.587 5.851 -1.863 28 H ILE 4 HN ILE 4 1.621 4.961 -5.874 29 HA ILE 4 HA ILE 4 0.750 5.789 -8.420 30 HB ILE 4 HB ILE 4 2.417 3.353 -7.618 31 HG12 ILE 4 HG11 ILE 4 3.353 6.193 -8.362 32 HG13 ILE 4 HG12 ILE 4 3.313 5.547 -6.695 33 HG21 ILE 4 HG21 ILE 4 1.576 3.243 -9.998 34 HG22 ILE 4 HG22 ILE 4 2.210 4.908 -10.295 35 HG23 ILE 4 HG23 ILE 4 3.336 3.544 -9.959 36 HD11 ILE 4 HD1 ILE 4 5.059 4.460 -8.992 37 HD12 ILE 4 HD2 ILE 4 5.594 5.350 -7.527 38 HD13 ILE 4 HD3 ILE 4 4.903 3.697 -7.366 39 H LEU 5 HN LEU 5 0.032 2.842 -6.458 40 HA LEU 5 HA LEU 5 -1.381 1.451 -8.449 41 HB2 LEU 5 HB1 LEU 5 -0.413 0.444 -6.375 42 HB3 LEU 5 HB2 LEU 5 -1.549 1.387 -5.378 43 HG LEU 5 HG LEU 5 -3.476 0.132 -6.386 44 HD11 LEU 5 HD11 LEU 5 -2.550 -0.477 -8.619 45 HD12 LEU 5 HD12 LEU 5 -3.024 -1.955 -7.710 46 HD13 LEU 5 HD13 LEU 5 -1.286 -1.502 -7.828 47 HD21 LEU 5 HD21 LEU 5 -3.017 -2.023 -5.230 48 HD22 LEU 5 HD22 LEU 5 -2.398 -0.630 -4.270 49 HD23 LEU 5 HD23 LEU 5 -1.253 -1.653 -5.211 50 H ALA 6 HN ALA 6 -2.546 3.656 -5.844 51 HA ALA 6 HA ALA 6 -5.261 3.586 -6.538 52 HB1 ALA 6 HB1 ALA 6 -3.589 5.833 -5.240 53 HB2 ALA 6 HB2 ALA 6 -5.389 5.700 -5.187 54 HB3 ALA 6 HB3 ALA 6 -4.372 4.466 -4.369 55 H SER 7 HN SER 7 -2.645 5.739 -7.649 56 HA SER 7 HA SER 7 -4.194 7.340 -9.344 57 HB2 SER 7 HB1 SER 7 -1.744 7.674 -8.560 58 HB3 SER 7 HB2 SER 7 -1.265 6.559 -9.868 59 HG SER 7 HG1 SER 7 -2.448 9.117 -9.957 60 H LEU 8 HN LEU 8 -2.488 4.248 -10.119 61 HA LEU 8 HA LEU 8 -3.324 4.124 -12.814 62 HB2 LEU 8 HB1 LEU 8 -2.512 1.977 -10.788 63 HB3 LEU 8 HB2 LEU 8 -2.858 1.601 -12.503 64 HG LEU 8 HG LEU 8 -0.678 3.564 -11.596 65 HD11 LEU 8 HD11 LEU 8 -0.448 0.604 -12.429 66 HD12 LEU 8 HD12 LEU 8 -0.201 1.268 -10.772 67 HD13 LEU 8 HD13 LEU 8 0.927 1.723 -12.101 68 HD21 LEU 8 HD21 LEU 8 0.193 3.236 -13.928 69 HD22 LEU 8 HD22 LEU 8 -1.452 3.978 -13.939 70 HD23 LEU 8 HD23 LEU 8 -1.242 2.224 -14.320 71 H ALA 9 HN ALA 9 -4.876 2.812 -9.817 72 HA ALA 9 HA ALA 9 -6.996 1.560 -11.097 73 HB1 ALA 9 HB1 ALA 9 -8.098 1.677 -8.851 74 HB2 ALA 9 HB2 ALA 9 -6.358 1.244 -8.695 75 HB3 ALA 9 HB3 ALA 9 -6.895 2.919 -8.335 76 H ALA 10 HN ALA 10 -6.842 4.972 -9.889 77 HA ALA 10 HA ALA 10 -9.391 5.716 -10.765 78 HB1 ALA 10 HB1 ALA 10 -6.809 7.382 -10.501 79 HB2 ALA 10 HB2 ALA 10 -8.490 8.053 -10.563 80 HB3 ALA 10 HB3 ALA 10 -7.972 7.027 -9.178 81 H LYS 11 HN LYS 11 -6.269 5.847 -12.546 82 HA LYS 11 HA LYS 11 -7.353 7.008 -14.887 83 HB2 LYS 11 HB1 LYS 11 -4.865 5.347 -14.318 84 HB3 LYS 11 HB2 LYS 11 -5.192 5.990 -15.958 85 HG2 LYS 11 HG1 LYS 11 -5.008 8.279 -15.249 86 HG3 LYS 11 HG2 LYS 11 -5.176 7.839 -13.521 87 HD2 LYS 11 HD1 LYS 11 -3.029 6.640 -13.551 88 HD3 LYS 11 HD2 LYS 11 -2.741 7.102 -15.261 89 HE2 LYS 11 HE1 LYS 11 -2.440 9.434 -14.708 90 HE3 LYS 11 HE2 LYS 11 -3.296 9.260 -13.125 91 HZ1 LYS 11 HZ1 LYS 11 -1.542 8.270 -12.162 92 HZ2 LYS 11 HZ2 LYS 11 -0.767 9.415 -13.115 93 HZ3 LYS 11 HZ3 LYS 11 -0.780 7.779 -13.597 94 H PHE 12 HN PHE 12 -6.876 3.536 -14.038 95 HA PHE 12 HA PHE 12 -8.030 2.849 -16.672 96 HB2 PHE 12 HB1 PHE 12 -5.959 1.395 -14.927 97 HB3 PHE 12 HB2 PHE 12 -6.579 0.794 -16.511 98 HD1 PHE 12 HD1 PHE 12 -3.967 2.603 -15.000 99 HD2 PHE 12 HD2 PHE 12 -6.463 2.562 -18.492 100 HE1 PHE 12 HE1 PHE 12 -2.261 3.915 -16.235 101 HE2 PHE 12 HE2 PHE 12 -4.766 3.884 -19.723 102 HZ PHE 12 HZ PHE 12 -2.667 4.563 -18.595 103 H GLY 13 HN GLY 13 -8.940 2.449 -13.326 104 HA2 GLY 13 HA1 GLY 13 -9.409 -0.130 -13.015 105 HA3 GLY 13 HA2 GLY 13 -10.490 1.142 -12.387 106 HA PRO 14 HA PRO 14 -13.626 -0.795 -14.718 107 HB2 PRO 14 HB1 PRO 14 -15.146 1.171 -16.033 108 HB3 PRO 14 HB2 PRO 14 -15.094 0.984 -14.242 109 HG2 PRO 14 HG1 PRO 14 -13.405 2.896 -15.949 110 HG3 PRO 14 HG2 PRO 14 -14.388 3.286 -14.474 111 HD2 PRO 14 HD1 PRO 14 -11.687 2.821 -14.266 112 HD3 PRO 14 HD2 PRO 14 -12.825 2.123 -13.029 113 H LYS 15 HN LYS 15 -11.484 1.140 -16.601 114 HA LYS 15 HA LYS 15 -12.213 0.171 -19.198 115 HB2 LYS 15 HB1 LYS 15 -9.602 1.440 -18.211 116 HB3 LYS 15 HB2 LYS 15 -10.081 1.249 -19.926 117 HG2 LYS 15 HG1 LYS 15 -11.892 2.875 -19.693 118 HG3 LYS 15 HG2 LYS 15 -11.782 2.850 -17.910 119 HD2 LYS 15 HD1 LYS 15 -9.407 3.729 -18.092 120 HD3 LYS 15 HD2 LYS 15 -9.724 4.073 -19.825 121 HE2 LYS 15 HE1 LYS 15 -11.555 5.662 -19.206 122 HE3 LYS 15 HE2 LYS 15 -11.464 5.131 -17.479 123 HZ1 LYS 15 HZ1 LYS 15 -9.195 5.937 -17.421 124 HZ2 LYS 15 HZ2 LYS 15 -10.299 7.176 -17.725 125 HZ3 LYS 15 HZ3 LYS 15 -9.325 6.562 -18.983 126 H LEU 16 HN LEU 16 -9.804 -0.739 -16.728 127 HA LEU 16 HA LEU 16 -8.615 -2.888 -18.035 128 HB2 LEU 16 HB1 LEU 16 -7.822 -1.631 -16.017 129 HB3 LEU 16 HB2 LEU 16 -9.065 -2.430 -15.022 130 HG LEU 16 HG LEU 16 -7.006 -4.061 -16.615 131 HD11 LEU 16 HD11 LEU 16 -5.715 -2.340 -15.355 132 HD12 LEU 16 HD12 LEU 16 -5.479 -3.979 -14.644 133 HD13 LEU 16 HD13 LEU 16 -6.574 -2.800 -13.834 134 HD21 LEU 16 HD21 LEU 16 -8.816 -5.397 -15.504 135 HD22 LEU 16 HD22 LEU 16 -8.469 -4.573 -13.937 136 HD23 LEU 16 HD23 LEU 16 -7.244 -5.662 -14.680 137 H PHE 17 HN PHE 17 -11.510 -2.834 -15.875 138 HA PHE 17 HA PHE 17 -12.066 -5.565 -15.999 139 HB2 PHE 17 HB1 PHE 17 -13.127 -3.834 -14.446 140 HB3 PHE 17 HB2 PHE 17 -14.085 -3.223 -15.840 141 HD1 PHE 17 HD1 PHE 17 -13.461 -6.145 -13.602 142 HD2 PHE 17 HD2 PHE 17 -16.003 -4.465 -16.629 143 HE1 PHE 17 HE1 PHE 17 -15.144 -7.909 -13.167 144 HE2 PHE 17 HE2 PHE 17 -17.682 -6.235 -16.203 145 HZ PHE 17 HZ PHE 17 -17.256 -7.957 -14.470 146 H CYS 18 HN CYS 18 -13.160 -2.940 -18.215 147 HA CYS 18 HA CYS 18 -14.416 -4.686 -20.031 148 HB2 CYS 18 HB1 CYS 18 -13.269 -1.872 -20.297 149 HB3 CYS 18 HB2 CYS 18 -13.906 -2.722 -21.739 150 H LEU 19 HN LEU 19 -10.951 -3.686 -19.975 151 HA LEU 19 HA LEU 19 -10.276 -5.011 -22.363 152 HB2 LEU 19 HB1 LEU 19 -8.647 -4.319 -19.874 153 HB3 LEU 19 HB2 LEU 19 -7.910 -5.072 -21.322 154 HG LEU 19 HG LEU 19 -9.429 -2.408 -21.421 155 HD11 LEU 19 HD11 LEU 19 -6.397 -2.923 -21.185 156 HD12 LEU 19 HD12 LEU 19 -7.455 -2.199 -19.916 157 HD13 LEU 19 HD13 LEU 19 -7.178 -1.323 -21.469 158 HD21 LEU 19 HD21 LEU 19 -8.200 -2.124 -23.588 159 HD22 LEU 19 HD22 LEU 19 -9.259 -3.582 -23.631 160 HD23 LEU 19 HD23 LEU 19 -7.480 -3.762 -23.397 161 H VAL 20 HN VAL 20 -10.289 -6.288 -18.995 162 HA VAL 20 HA VAL 20 -9.476 -8.900 -19.618 163 HB VAL 20 HB VAL 20 -11.268 -7.788 -17.413 164 HG11 VAL 20 HG11 VAL 20 -10.056 -10.625 -17.734 165 HG12 VAL 20 HG12 VAL 20 -10.754 -9.970 -16.208 166 HG13 VAL 20 HG13 VAL 20 -11.812 -10.215 -17.637 167 HG21 VAL 20 HG21 VAL 20 -9.185 -8.076 -16.044 168 HG22 VAL 20 HG22 VAL 20 -8.309 -8.715 -17.481 169 HG23 VAL 20 HG23 VAL 20 -8.851 -6.998 -17.444 170 H THR 21 HN THR 21 -12.695 -7.398 -19.704 171 HA THR 21 HA THR 21 -13.972 -9.789 -20.702 172 HB THR 21 HB THR 21 -15.173 -6.995 -20.790 173 HG1 THR 21 HG1 THR 21 -14.503 -7.334 -18.676 174 HG21 THR 21 HG21 THR 21 -16.489 -8.903 -21.887 175 HG22 THR 21 HG22 THR 21 -17.279 -8.328 -20.376 176 HG23 THR 21 HG23 THR 21 -16.325 -9.852 -20.359 177 H LYS 22 HN LYS 22 -11.754 -9.087 -22.258 178 HA LYS 22 HA LYS 22 -10.966 -8.890 -24.277 179 HB2 LYS 22 HB1 LYS 22 -12.850 -10.782 -24.269 180 HB3 LYS 22 HB2 LYS 22 -13.584 -9.764 -25.527 181 HG2 LYS 22 HG1 LYS 22 -10.747 -11.026 -25.535 182 HG3 LYS 22 HG2 LYS 22 -12.195 -11.669 -26.371 183 HD2 LYS 22 HD1 LYS 22 -12.257 -9.462 -27.729 184 HD3 LYS 22 HD2 LYS 22 -10.703 -9.042 -26.974 185 HE2 LYS 22 HE1 LYS 22 -10.204 -9.913 -29.179 186 HE3 LYS 22 HE2 LYS 22 -9.668 -11.160 -27.984 187 HZ1 LYS 22 HZ1 LYS 22 -12.243 -11.148 -29.488 188 HZ2 LYS 22 HZ2 LYS 22 -11.747 -12.330 -28.381 189 HZ3 LYS 22 HZ3 LYS 22 -10.895 -12.116 -29.835 190 H LYS 23 HN LYS 23 -11.818 -6.421 -23.389 191 HA LYS 23 HA LYS 23 -12.183 -4.349 -23.982 192 HB2 LYS 23 HB1 LYS 23 -10.643 -5.000 -25.969 193 HB3 LYS 23 HB2 LYS 23 -12.097 -4.873 -26.976 194 HG2 LYS 23 HG1 LYS 23 -10.839 -2.708 -25.152 195 HG3 LYS 23 HG2 LYS 23 -10.620 -2.806 -26.914 196 HD2 LYS 23 HD1 LYS 23 -13.298 -2.146 -25.492 197 HD3 LYS 23 HD2 LYS 23 -12.113 -0.994 -26.135 198 HE2 LYS 23 HE1 LYS 23 -13.387 -0.932 -27.989 199 HE3 LYS 23 HE2 LYS 23 -12.500 -2.437 -28.445 200 HZ1 LYS 23 HZ1 LYS 23 -15.134 -2.287 -27.034 201 HZ2 LYS 23 HZ2 LYS 23 -14.328 -3.674 -27.362 202 HZ3 LYS 23 HZ3 LYS 23 -14.896 -2.736 -28.661 203 H CYS 24 HN CYS 24 -14.337 -4.920 -23.008 204 HA CYS 24 HA CYS 24 -16.552 -5.176 -24.743 205 HB2 CYS 24 HB1 CYS 24 -17.989 -4.869 -22.839 206 HB3 CYS 24 HB2 CYS 24 -16.592 -5.863 -22.358 Start of MODEL 9 1 H1 PHE 1 HN PHE 1 2.952 1.704 1.634 2 HA PHE 1 HA PHE 1 3.522 4.138 0.598 3 HB2 PHE 1 HB1 PHE 1 5.883 3.350 0.252 4 HB3 PHE 1 HB2 PHE 1 5.214 2.866 1.843 5 HD1 PHE 1 HD1 PHE 1 6.239 1.669 -1.508 6 HD2 PHE 1 HD2 PHE 1 4.818 0.531 2.381 7 HE1 PHE 1 HE1 PHE 1 6.862 -0.686 -1.970 8 HE2 PHE 1 HE2 PHE 1 5.427 -1.821 1.918 9 HZ PHE 1 HZ PHE 1 6.454 -2.433 -0.254 10 H LEU 2 HN LEU 2 1.837 2.040 -1.059 11 HA LEU 2 HA LEU 2 3.034 2.639 -3.696 12 HB2 LEU 2 HB1 LEU 2 0.979 0.481 -3.012 13 HB3 LEU 2 HB2 LEU 2 1.757 0.778 -4.597 14 HG LEU 2 HG LEU 2 4.010 0.437 -3.123 15 HD11 LEU 2 HD11 LEU 2 2.856 -0.025 -0.951 16 HD12 LEU 2 HD12 LEU 2 3.676 -1.502 -1.554 17 HD13 LEU 2 HD13 LEU 2 1.891 -1.339 -1.729 18 HD21 LEU 2 HD21 LEU 2 3.381 -0.789 -5.206 19 HD22 LEU 2 HD22 LEU 2 2.254 -1.833 -4.253 20 HD23 LEU 2 HD23 LEU 2 4.028 -1.910 -3.951 21 HA PRO 3 HA PRO 3 -1.060 4.943 -3.806 22 HB2 PRO 3 HB1 PRO 3 -0.219 7.503 -4.509 23 HB3 PRO 3 HB2 PRO 3 -0.140 6.920 -2.804 24 HG2 PRO 3 HG1 PRO 3 2.139 6.859 -4.870 25 HG3 PRO 3 HG2 PRO 3 2.168 7.570 -3.202 26 HD2 PRO 3 HD1 PRO 3 3.071 5.007 -3.685 27 HD3 PRO 3 HD2 PRO 3 2.135 5.398 -2.176 28 H ILE 4 HN ILE 4 1.507 4.163 -5.804 29 HA ILE 4 HA ILE 4 0.705 4.941 -8.363 30 HB ILE 4 HB ILE 4 2.109 2.374 -7.470 31 HG12 ILE 4 HG11 ILE 4 3.328 5.083 -8.291 32 HG13 ILE 4 HG12 ILE 4 3.219 4.495 -6.605 33 HG21 ILE 4 HG21 ILE 4 1.275 2.276 -9.851 34 HG22 ILE 4 HG22 ILE 4 2.072 3.860 -10.194 35 HG23 ILE 4 HG23 ILE 4 3.056 2.403 -9.808 36 HD11 ILE 4 HD1 ILE 4 5.470 4.051 -7.419 37 HD12 ILE 4 HD2 ILE 4 4.621 2.480 -7.206 38 HD13 ILE 4 HD3 ILE 4 4.854 3.169 -8.856 39 H LEU 5 HN LEU 5 -0.308 2.114 -6.339 40 HA LEU 5 HA LEU 5 -1.842 0.854 -8.333 41 HB2 LEU 5 HB1 LEU 5 -2.132 0.828 -5.273 42 HB3 LEU 5 HB2 LEU 5 -2.905 -0.343 -6.388 43 HG LEU 5 HG LEU 5 0.127 0.025 -6.000 44 HD11 LEU 5 HD11 LEU 5 -1.785 -2.179 -5.004 45 HD12 LEU 5 HD12 LEU 5 -0.994 -0.917 -3.989 46 HD13 LEU 5 HD13 LEU 5 0.006 -2.164 -4.817 47 HD21 LEU 5 HD21 LEU 5 0.311 -2.132 -7.271 48 HD22 LEU 5 HD22 LEU 5 -0.366 -0.819 -8.298 49 HD23 LEU 5 HD23 LEU 5 -1.456 -2.085 -7.606 50 H ALA 6 HN ALA 6 -2.823 3.205 -5.788 51 HA ALA 6 HA ALA 6 -5.526 3.372 -6.539 52 HB1 ALA 6 HB1 ALA 6 -4.613 4.183 -4.354 53 HB2 ALA 6 HB2 ALA 6 -3.676 5.457 -5.212 54 HB3 ALA 6 HB3 ALA 6 -5.480 5.503 -5.207 55 H SER 7 HN SER 7 -2.680 5.272 -7.600 56 HA SER 7 HA SER 7 -4.081 6.974 -9.324 57 HB2 SER 7 HB1 SER 7 -1.693 7.275 -8.544 58 HB3 SER 7 HB2 SER 7 -1.193 6.020 -9.716 59 HG SER 7 HG1 SER 7 -1.002 8.185 -10.471 60 H LEU 8 HN LEU 8 -2.560 3.770 -10.098 61 HA LEU 8 HA LEU 8 -3.333 3.716 -12.802 62 HB2 LEU 8 HB1 LEU 8 -2.759 1.506 -10.759 63 HB3 LEU 8 HB2 LEU 8 -3.084 1.156 -12.485 64 HG LEU 8 HG LEU 8 -0.777 2.930 -11.507 65 HD11 LEU 8 HD11 LEU 8 -0.778 -0.034 -12.364 66 HD12 LEU 8 HD12 LEU 8 -0.522 0.592 -10.692 67 HD13 LEU 8 HD13 LEU 8 0.677 0.961 -11.987 68 HD21 LEU 8 HD21 LEU 8 -1.373 1.661 -14.259 69 HD22 LEU 8 HD22 LEU 8 0.129 2.547 -13.813 70 HD23 LEU 8 HD23 LEU 8 -1.441 3.426 -13.867 71 H ALA 9 HN ALA 9 -5.055 2.474 -9.871 72 HA ALA 9 HA ALA 9 -7.239 1.398 -11.184 73 HB1 ALA 9 HB1 ALA 9 -8.378 1.624 -8.960 74 HB2 ALA 9 HB2 ALA 9 -6.684 1.046 -8.766 75 HB3 ALA 9 HB3 ALA 9 -7.084 2.763 -8.426 76 H ALA 10 HN ALA 10 -6.797 4.794 -10.030 77 HA ALA 10 HA ALA 10 -9.241 5.753 -10.955 78 HB1 ALA 10 HB1 ALA 10 -8.138 7.997 -10.862 79 HB2 ALA 10 HB2 ALA 10 -7.722 6.989 -9.433 80 HB3 ALA 10 HB3 ALA 10 -6.521 7.176 -10.755 81 H LYS 11 HN LYS 11 -6.208 5.294 -12.882 82 HA LYS 11 HA LYS 11 -7.396 6.616 -15.169 83 HB2 LYS 11 HB1 LYS 11 -5.042 4.685 -15.331 84 HB3 LYS 11 HB2 LYS 11 -5.499 5.972 -16.482 85 HG2 LYS 11 HG1 LYS 11 -4.209 6.178 -13.727 86 HG3 LYS 11 HG2 LYS 11 -3.503 6.614 -15.294 87 HD2 LYS 11 HD1 LYS 11 -4.893 8.587 -15.530 88 HD3 LYS 11 HD2 LYS 11 -5.910 8.167 -14.122 89 HE2 LYS 11 HE1 LYS 11 -2.877 8.743 -13.923 90 HE3 LYS 11 HE2 LYS 11 -4.158 9.995 -13.663 91 HZ1 LYS 11 HZ1 LYS 11 -4.844 8.989 -11.731 92 HZ2 LYS 11 HZ2 LYS 11 -3.200 8.574 -11.671 93 HZ3 LYS 11 HZ3 LYS 11 -4.305 7.454 -12.177 94 H PHE 12 HN PHE 12 -6.900 3.184 -14.226 95 HA PHE 12 HA PHE 12 -8.149 2.365 -16.764 96 HB2 PHE 12 HB1 PHE 12 -6.242 0.905 -14.838 97 HB3 PHE 12 HB2 PHE 12 -6.880 0.215 -16.379 98 HD1 PHE 12 HD1 PHE 12 -4.139 1.903 -14.970 99 HD2 PHE 12 HD2 PHE 12 -6.581 1.801 -18.502 100 HE1 PHE 12 HE1 PHE 12 -2.311 2.966 -16.266 101 HE2 PHE 12 HE2 PHE 12 -4.757 2.872 -19.793 102 HZ PHE 12 HZ PHE 12 -2.626 3.459 -18.675 103 H GLY 13 HN GLY 13 -8.986 2.306 -13.370 104 HA2 GLY 13 HA1 GLY 13 -10.138 -0.107 -13.002 105 HA3 GLY 13 HA2 GLY 13 -10.750 1.440 -12.344 106 HA PRO 14 HA PRO 14 -14.335 0.796 -14.811 107 HB2 PRO 14 HB1 PRO 14 -14.844 3.112 -16.338 108 HB3 PRO 14 HB2 PRO 14 -15.047 3.014 -14.552 109 HG2 PRO 14 HG1 PRO 14 -12.575 4.017 -16.071 110 HG3 PRO 14 HG2 PRO 14 -13.481 4.854 -14.735 111 HD2 PRO 14 HD1 PRO 14 -11.233 3.421 -14.170 112 HD3 PRO 14 HD2 PRO 14 -12.688 3.234 -13.096 113 H LYS 15 HN LYS 15 -11.387 0.981 -16.464 114 HA LYS 15 HA LYS 15 -12.607 0.233 -19.051 115 HB2 LYS 15 HB1 LYS 15 -9.687 0.869 -18.342 116 HB3 LYS 15 HB2 LYS 15 -10.351 0.611 -19.986 117 HG2 LYS 15 HG1 LYS 15 -11.727 2.675 -19.774 118 HG3 LYS 15 HG2 LYS 15 -11.159 2.904 -18.085 119 HD2 LYS 15 HD1 LYS 15 -8.782 3.114 -18.920 120 HD3 LYS 15 HD2 LYS 15 -9.366 2.914 -20.594 121 HE2 LYS 15 HE1 LYS 15 -8.930 5.313 -20.092 122 HE3 LYS 15 HE2 LYS 15 -10.690 5.044 -20.421 123 HZ1 LYS 15 HZ1 LYS 15 -9.452 5.159 -17.713 124 HZ2 LYS 15 HZ2 LYS 15 -11.092 5.021 -18.063 125 HZ3 LYS 15 HZ3 LYS 15 -10.254 6.447 -18.459 126 H LEU 16 HN LEU 16 -11.238 -1.078 -16.183 127 HA LEU 16 HA LEU 16 -9.657 -3.139 -17.088 128 HB2 LEU 16 HB1 LEU 16 -9.805 -2.135 -14.803 129 HB3 LEU 16 HB2 LEU 16 -11.343 -2.982 -14.515 130 HG LEU 16 HG LEU 16 -8.805 -4.536 -15.273 131 HD11 LEU 16 HD11 LEU 16 -9.546 -3.547 -12.448 132 HD12 LEU 16 HD12 LEU 16 -8.142 -2.989 -13.435 133 HD13 LEU 16 HD13 LEU 16 -8.217 -4.693 -12.852 134 HD21 LEU 16 HD21 LEU 16 -10.919 -5.888 -15.130 135 HD22 LEU 16 HD22 LEU 16 -11.236 -5.221 -13.484 136 HD23 LEU 16 HD23 LEU 16 -9.818 -6.292 -13.769 137 H PHE 17 HN PHE 17 -13.150 -3.107 -16.466 138 HA PHE 17 HA PHE 17 -13.775 -5.743 -16.921 139 HB2 PHE 17 HB1 PHE 17 -15.423 -3.271 -17.791 140 HB3 PHE 17 HB2 PHE 17 -16.074 -4.909 -17.396 141 HD1 PHE 17 HD1 PHE 17 -15.288 -1.666 -16.094 142 HD2 PHE 17 HD2 PHE 17 -15.475 -5.822 -15.005 143 HE1 PHE 17 HE1 PHE 17 -15.362 -1.040 -13.698 144 HE2 PHE 17 HE2 PHE 17 -15.558 -5.188 -12.612 145 HZ PHE 17 HZ PHE 17 -15.495 -2.799 -11.959 146 H CYS 18 HN CYS 18 -13.121 -3.197 -19.337 147 HA CYS 18 HA CYS 18 -13.794 -5.021 -21.530 148 HB2 CYS 18 HB1 CYS 18 -12.892 -2.089 -21.484 149 HB3 CYS 18 HB2 CYS 18 -13.361 -2.996 -22.960 150 H LEU 19 HN LEU 19 -10.946 -4.092 -19.748 151 HA LEU 19 HA LEU 19 -9.116 -5.072 -21.741 152 HB2 LEU 19 HB1 LEU 19 -8.820 -4.878 -18.692 153 HB3 LEU 19 HB2 LEU 19 -7.507 -5.321 -19.826 154 HG LEU 19 HG LEU 19 -8.974 -2.622 -19.786 155 HD11 LEU 19 HD11 LEU 19 -7.538 -2.992 -17.763 156 HD12 LEU 19 HD12 LEU 19 -6.851 -1.726 -18.847 157 HD13 LEU 19 HD13 LEU 19 -6.141 -3.381 -18.831 158 HD21 LEU 19 HD21 LEU 19 -6.520 -3.558 -21.409 159 HD22 LEU 19 HD22 LEU 19 -7.117 -1.863 -21.302 160 HD23 LEU 19 HD23 LEU 19 -8.142 -3.121 -22.075 161 H VAL 20 HN VAL 20 -10.887 -6.548 -18.971 162 HA VAL 20 HA VAL 20 -10.051 -9.205 -19.527 163 HB VAL 20 HB VAL 20 -12.560 -8.137 -18.163 164 HG11 VAL 20 HG11 VAL 20 -12.986 -10.481 -18.913 165 HG12 VAL 20 HG12 VAL 20 -11.371 -11.002 -18.282 166 HG13 VAL 20 HG13 VAL 20 -12.662 -10.462 -17.152 167 HG21 VAL 20 HG21 VAL 20 -10.403 -7.492 -17.027 168 HG22 VAL 20 HG22 VAL 20 -11.285 -8.735 -16.081 169 HG23 VAL 20 HG23 VAL 20 -9.864 -9.212 -17.074 170 H THR 21 HN THR 21 -13.140 -7.513 -20.390 171 HA THR 21 HA THR 21 -13.703 -9.572 -22.377 172 HB THR 21 HB THR 21 -15.496 -7.316 -21.419 173 HG1 THR 21 HG1 THR 21 -16.344 -8.870 -20.099 174 HG21 THR 21 HG21 THR 21 -16.177 -8.422 -23.631 175 HG22 THR 21 HG22 THR 21 -17.294 -8.873 -22.305 176 HG23 THR 21 HG23 THR 21 -16.029 -10.038 -22.842 177 H LYS 22 HN LYS 22 -11.833 -8.634 -23.489 178 HA LYS 22 HA LYS 22 -10.920 -7.138 -25.086 179 HB2 LYS 22 HB1 LYS 22 -12.694 -9.381 -26.031 180 HB3 LYS 22 HB2 LYS 22 -11.909 -8.369 -27.261 181 HG2 LYS 22 HG1 LYS 22 -10.651 -10.363 -26.916 182 HG3 LYS 22 HG2 LYS 22 -9.670 -8.927 -26.545 183 HD2 LYS 22 HD1 LYS 22 -11.070 -10.415 -24.265 184 HD3 LYS 22 HD2 LYS 22 -9.654 -11.175 -25.050 185 HE2 LYS 22 HE1 LYS 22 -8.162 -9.303 -24.506 186 HE3 LYS 22 HE2 LYS 22 -9.541 -8.326 -23.878 187 HZ1 LYS 22 HZ1 LYS 22 -8.352 -10.764 -22.659 188 HZ2 LYS 22 HZ2 LYS 22 -9.902 -10.170 -22.261 189 HZ3 LYS 22 HZ3 LYS 22 -8.587 -9.179 -22.045 190 H LYS 23 HN LYS 23 -11.900 -5.024 -24.527 191 HA LYS 23 HA LYS 23 -12.638 -3.072 -25.268 192 HB2 LYS 23 HB1 LYS 23 -11.172 -3.736 -27.238 193 HB3 LYS 23 HB2 LYS 23 -12.645 -4.284 -28.064 194 HG2 LYS 23 HG1 LYS 23 -13.389 -1.656 -27.449 195 HG3 LYS 23 HG2 LYS 23 -11.617 -1.496 -27.450 196 HD2 LYS 23 HD1 LYS 23 -12.037 -1.024 -29.661 197 HD3 LYS 23 HD2 LYS 23 -11.781 -2.780 -29.812 198 HE2 LYS 23 HE1 LYS 23 -14.487 -1.248 -29.687 199 HE3 LYS 23 HE2 LYS 23 -13.753 -2.010 -31.152 200 HZ1 LYS 23 HZ1 LYS 23 -15.474 -3.395 -30.213 201 HZ2 LYS 23 HZ2 LYS 23 -14.715 -3.404 -28.707 202 HZ3 LYS 23 HZ3 LYS 23 -13.973 -4.171 -30.012 203 H CYS 24 HN CYS 24 -14.668 -4.511 -24.128 204 HA CYS 24 HA CYS 24 -17.037 -4.359 -25.655 205 HB2 CYS 24 HB1 CYS 24 -18.220 -4.638 -23.502 206 HB3 CYS 24 HB2 CYS 24 -16.857 -5.781 -23.669 Start of MODEL 10 1 H1 PHE 1 HN PHE 1 -0.919 1.445 0.284 2 HA PHE 1 HA PHE 1 1.463 0.335 0.110 3 HB2 PHE 1 HB1 PHE 1 0.238 -1.589 -1.120 4 HB3 PHE 1 HB2 PHE 1 -0.057 -0.445 -2.471 5 HD1 PHE 1 HD1 PHE 1 2.802 -1.648 -0.279 6 HD2 PHE 1 HD2 PHE 1 1.478 -0.625 -4.235 7 HE1 PHE 1 HE1 PHE 1 5.010 -2.294 -1.184 8 HE2 PHE 1 HE2 PHE 1 3.690 -1.281 -5.145 9 HZ PHE 1 HZ PHE 1 5.458 -2.116 -3.616 10 H LEU 2 HN LEU 2 2.362 1.166 -2.464 11 HA LEU 2 HA LEU 2 2.431 3.898 -2.085 12 HB2 LEU 2 HB1 LEU 2 3.276 2.088 -4.389 13 HB3 LEU 2 HB2 LEU 2 3.414 3.866 -4.551 14 HG LEU 2 HG LEU 2 4.832 3.968 -2.498 15 HD11 LEU 2 HD11 LEU 2 6.049 1.890 -1.775 16 HD12 LEU 2 HD12 LEU 2 4.911 0.893 -2.749 17 HD13 LEU 2 HD13 LEU 2 4.313 1.842 -1.331 18 HD21 LEU 2 HD21 LEU 2 5.769 4.014 -4.811 19 HD22 LEU 2 HD22 LEU 2 5.871 2.209 -4.808 20 HD23 LEU 2 HD23 LEU 2 6.878 3.172 -3.668 21 HA PRO 3 HA PRO 3 -1.193 5.420 -4.017 22 HB2 PRO 3 HB1 PRO 3 -0.470 8.026 -4.807 23 HB3 PRO 3 HB2 PRO 3 -0.644 7.515 -3.088 24 HG2 PRO 3 HG1 PRO 3 1.950 7.569 -4.733 25 HG3 PRO 3 HG2 PRO 3 1.639 8.331 -3.117 26 HD2 PRO 3 HD1 PRO 3 2.821 5.880 -3.268 27 HD3 PRO 3 HD2 PRO 3 1.513 6.158 -2.033 28 H ILE 4 HN ILE 4 1.401 4.608 -5.875 29 HA ILE 4 HA ILE 4 0.682 5.266 -8.506 30 HB ILE 4 HB ILE 4 2.004 2.744 -7.390 31 HG12 ILE 4 HG11 ILE 4 3.305 5.315 -8.483 32 HG13 ILE 4 HG12 ILE 4 3.155 4.929 -6.743 33 HG21 ILE 4 HG21 ILE 4 2.965 2.524 -9.715 34 HG22 ILE 4 HG22 ILE 4 1.183 2.421 -9.752 35 HG23 ILE 4 HG23 ILE 4 2.006 3.952 -10.248 36 HD11 ILE 4 HD1 ILE 4 4.776 3.301 -8.801 37 HD12 ILE 4 HD2 ILE 4 5.405 4.327 -7.469 38 HD13 ILE 4 HD3 ILE 4 4.504 2.818 -7.087 39 H LEU 5 HN LEU 5 -0.470 2.623 -6.303 40 HA LEU 5 HA LEU 5 -2.054 1.323 -8.231 41 HB2 LEU 5 HB1 LEU 5 -2.484 1.483 -5.195 42 HB3 LEU 5 HB2 LEU 5 -3.231 0.295 -6.308 43 HG LEU 5 HG LEU 5 -0.268 0.532 -5.555 44 HD11 LEU 5 HD11 LEU 5 -1.799 -0.507 -3.862 45 HD12 LEU 5 HD12 LEU 5 -0.662 -1.722 -4.559 46 HD13 LEU 5 HD13 LEU 5 -2.377 -1.677 -5.102 47 HD21 LEU 5 HD21 LEU 5 0.068 -1.562 -6.917 48 HD22 LEU 5 HD22 LEU 5 -0.347 -0.151 -7.951 49 HD23 LEU 5 HD23 LEU 5 -1.601 -1.398 -7.567 50 H ALA 6 HN ALA 6 -2.936 3.971 -5.944 51 HA ALA 6 HA ALA 6 -5.626 4.166 -6.744 52 HB1 ALA 6 HB1 ALA 6 -3.705 6.314 -5.639 53 HB2 ALA 6 HB2 ALA 6 -5.506 6.430 -5.669 54 HB3 ALA 6 HB3 ALA 6 -4.702 5.185 -4.654 55 H SER 7 HN SER 7 -2.692 5.754 -7.986 56 HA SER 7 HA SER 7 -3.938 7.323 -9.955 57 HB2 SER 7 HB1 SER 7 -1.486 7.410 -9.104 58 HB3 SER 7 HB2 SER 7 -1.142 6.066 -10.226 59 HG SER 7 HG1 SER 7 -1.945 8.725 -10.727 60 H LEU 8 HN LEU 8 -2.663 3.955 -10.217 61 HA LEU 8 HA LEU 8 -3.444 3.530 -12.895 62 HB2 LEU 8 HB1 LEU 8 -3.005 1.616 -10.546 63 HB3 LEU 8 HB2 LEU 8 -3.327 1.051 -12.213 64 HG LEU 8 HG LEU 8 -0.935 2.817 -11.438 65 HD11 LEU 8 HD11 LEU 8 -0.821 0.610 -10.295 66 HD12 LEU 8 HD12 LEU 8 0.417 0.726 -11.599 67 HD13 LEU 8 HD13 LEU 8 -1.085 -0.234 -11.865 68 HD21 LEU 8 HD21 LEU 8 -0.014 2.071 -13.644 69 HD22 LEU 8 HD22 LEU 8 -1.545 3.000 -13.861 70 HD23 LEU 8 HD23 LEU 8 -1.546 1.198 -13.994 71 H ALA 9 HN ALA 9 -5.249 2.971 -9.813 72 HA ALA 9 HA ALA 9 -7.486 1.813 -10.949 73 HB1 ALA 9 HB1 ALA 9 -7.302 3.649 -8.488 74 HB2 ALA 9 HB2 ALA 9 -8.637 2.490 -8.842 75 HB3 ALA 9 HB3 ALA 9 -6.978 1.882 -8.502 76 H ALA 10 HN ALA 10 -6.892 5.363 -10.424 77 HA ALA 10 HA ALA 10 -9.302 6.184 -11.624 78 HB1 ALA 10 HB1 ALA 10 -6.560 7.585 -11.487 79 HB2 ALA 10 HB2 ALA 10 -8.138 8.403 -11.828 80 HB3 ALA 10 HB3 ALA 10 -7.837 7.643 -10.226 81 H LYS 11 HN LYS 11 -6.064 5.692 -13.124 82 HA LYS 11 HA LYS 11 -6.805 6.493 -15.721 83 HB2 LYS 11 HB1 LYS 11 -4.593 4.694 -14.637 84 HB3 LYS 11 HB2 LYS 11 -4.702 5.102 -16.378 85 HG2 LYS 11 HG1 LYS 11 -4.306 7.437 -16.004 86 HG3 LYS 11 HG2 LYS 11 -4.647 7.301 -14.250 87 HD2 LYS 11 HD1 LYS 11 -2.663 5.899 -13.902 88 HD3 LYS 11 HD2 LYS 11 -2.220 6.004 -15.638 89 HE2 LYS 11 HE1 LYS 11 -1.672 8.356 -15.484 90 HE3 LYS 11 HE2 LYS 11 -2.599 8.557 -13.943 91 HZ1 LYS 11 HZ1 LYS 11 -0.250 6.755 -14.052 92 HZ2 LYS 11 HZ2 LYS 11 -1.019 7.508 -12.738 93 HZ3 LYS 11 HZ3 LYS 11 -0.088 8.432 -13.790 94 H PHE 12 HN PHE 12 -6.695 3.165 -14.316 95 HA PHE 12 HA PHE 12 -7.932 2.188 -16.829 96 HB2 PHE 12 HB1 PHE 12 -5.951 0.795 -14.921 97 HB3 PHE 12 HB2 PHE 12 -6.578 0.125 -16.475 98 HD1 PHE 12 HD1 PHE 12 -3.822 1.669 -15.032 99 HD2 PHE 12 HD2 PHE 12 -6.287 1.888 -18.543 100 HE1 PHE 12 HE1 PHE 12 -1.956 2.730 -16.279 101 HE2 PHE 12 HE2 PHE 12 -4.435 2.968 -19.777 102 HZ PHE 12 HZ PHE 12 -2.269 3.389 -18.650 103 H GLY 13 HN GLY 13 -8.210 2.071 -13.287 104 HA2 GLY 13 HA1 GLY 13 -9.142 -0.394 -12.808 105 HA3 GLY 13 HA2 GLY 13 -9.707 1.069 -11.953 106 HA PRO 14 HA PRO 14 -13.695 0.087 -13.452 107 HB2 PRO 14 HB1 PRO 14 -14.891 2.374 -14.559 108 HB3 PRO 14 HB2 PRO 14 -14.513 2.196 -12.808 109 HG2 PRO 14 HG1 PRO 14 -12.780 3.549 -14.944 110 HG3 PRO 14 HG2 PRO 14 -13.300 4.225 -13.338 111 HD2 PRO 14 HD1 PRO 14 -10.834 3.049 -13.602 112 HD3 PRO 14 HD2 PRO 14 -11.844 2.694 -12.134 113 H LYS 15 HN LYS 15 -11.377 0.778 -15.783 114 HA LYS 15 HA LYS 15 -13.129 0.145 -18.064 115 HB2 LYS 15 HB1 LYS 15 -10.197 1.052 -18.114 116 HB3 LYS 15 HB2 LYS 15 -11.410 1.158 -19.431 117 HG2 LYS 15 HG1 LYS 15 -12.675 2.875 -18.028 118 HG3 LYS 15 HG2 LYS 15 -11.391 2.758 -16.778 119 HD2 LYS 15 HD1 LYS 15 -9.690 3.498 -18.549 120 HD3 LYS 15 HD2 LYS 15 -11.067 3.786 -19.649 121 HE2 LYS 15 HE1 LYS 15 -10.429 5.930 -18.647 122 HE3 LYS 15 HE2 LYS 15 -12.029 5.454 -17.948 123 HZ1 LYS 15 HZ1 LYS 15 -10.839 4.623 -15.990 124 HZ2 LYS 15 HZ2 LYS 15 -10.421 6.243 -16.247 125 HZ3 LYS 15 HZ3 LYS 15 -9.367 5.020 -16.702 126 H LEU 16 HN LEU 16 -10.826 -1.143 -15.870 127 HA LEU 16 HA LEU 16 -9.411 -2.981 -17.351 128 HB2 LEU 16 HB1 LEU 16 -8.912 -2.066 -15.081 129 HB3 LEU 16 HB2 LEU 16 -10.215 -3.057 -14.378 130 HG LEU 16 HG LEU 16 -7.970 -4.398 -15.970 131 HD11 LEU 16 HD11 LEU 16 -7.749 -3.457 -13.042 132 HD12 LEU 16 HD12 LEU 16 -6.808 -2.808 -14.440 133 HD13 LEU 16 HD13 LEU 16 -6.573 -4.514 -13.905 134 HD21 LEU 16 HD21 LEU 16 -8.298 -6.222 -14.266 135 HD22 LEU 16 HD22 LEU 16 -9.832 -5.868 -15.133 136 HD23 LEU 16 HD23 LEU 16 -9.576 -5.241 -13.462 137 H PHE 17 HN PHE 17 -12.548 -3.365 -15.690 138 HA PHE 17 HA PHE 17 -12.906 -6.074 -16.078 139 HB2 PHE 17 HB1 PHE 17 -15.072 -3.866 -16.210 140 HB3 PHE 17 HB2 PHE 17 -15.340 -5.600 -15.779 141 HD1 PHE 17 HD1 PHE 17 -14.692 -2.341 -14.481 142 HD2 PHE 17 HD2 PHE 17 -13.865 -6.502 -13.784 143 HE1 PHE 17 HE1 PHE 17 -14.134 -1.839 -12.119 144 HE2 PHE 17 HE2 PHE 17 -13.314 -5.995 -11.424 145 HZ PHE 17 HZ PHE 17 -13.445 -3.664 -10.593 146 H CYS 18 HN CYS 18 -13.605 -3.404 -18.389 147 HA CYS 18 HA CYS 18 -14.519 -5.294 -20.374 148 HB2 CYS 18 HB1 CYS 18 -14.010 -2.289 -20.361 149 HB3 CYS 18 HB2 CYS 18 -14.195 -3.137 -21.921 150 H LEU 19 HN LEU 19 -11.324 -3.995 -19.548 151 HA LEU 19 HA LEU 19 -10.109 -4.866 -21.971 152 HB2 LEU 19 HB1 LEU 19 -8.896 -4.593 -19.172 153 HB3 LEU 19 HB2 LEU 19 -7.966 -4.890 -20.672 154 HG LEU 19 HG LEU 19 -9.667 -2.392 -20.115 155 HD11 LEU 19 HD11 LEU 19 -6.607 -2.780 -20.118 156 HD12 LEU 19 HD12 LEU 19 -7.634 -2.544 -18.657 157 HD13 LEU 19 HD13 LEU 19 -7.482 -1.222 -19.876 158 HD21 LEU 19 HD21 LEU 19 -8.489 -1.441 -22.126 159 HD22 LEU 19 HD22 LEU 19 -9.549 -2.829 -22.557 160 HD23 LEU 19 HD23 LEU 19 -7.760 -3.057 -22.450 161 H VAL 20 HN VAL 20 -10.722 -6.552 -18.866 162 HA VAL 20 HA VAL 20 -9.627 -9.033 -19.585 163 HB VAL 20 HB VAL 20 -11.924 -8.323 -17.705 164 HG11 VAL 20 HG11 VAL 20 -10.353 -10.975 -18.051 165 HG12 VAL 20 HG12 VAL 20 -11.422 -10.586 -16.653 166 HG13 VAL 20 HG13 VAL 20 -12.127 -10.740 -18.296 167 HG21 VAL 20 HG21 VAL 20 -8.923 -8.951 -17.235 168 HG22 VAL 20 HG22 VAL 20 -9.672 -7.316 -17.117 169 HG23 VAL 20 HG23 VAL 20 -10.140 -8.605 -15.954 170 H THR 21 HN THR 21 -12.998 -7.811 -20.061 171 HA THR 21 HA THR 21 -13.708 -10.090 -21.642 172 HB THR 21 HB THR 21 -15.217 -7.457 -21.595 173 HG1 THR 21 HG1 THR 21 -16.160 -8.173 -19.762 174 HG21 THR 21 HG21 THR 21 -16.067 -10.448 -21.790 175 HG22 THR 21 HG22 THR 21 -16.065 -9.298 -23.179 176 HG23 THR 21 HG23 THR 21 -17.190 -9.041 -21.802 177 H LYS 22 HN LYS 22 -11.369 -8.989 -22.652 178 HA LYS 22 HA LYS 22 -10.292 -8.501 -24.480 179 HB2 LYS 22 HB1 LYS 22 -11.724 -10.569 -25.038 180 HB3 LYS 22 HB2 LYS 22 -12.704 -9.467 -26.049 181 HG2 LYS 22 HG1 LYS 22 -10.450 -8.869 -27.268 182 HG3 LYS 22 HG2 LYS 22 -9.694 -10.159 -26.292 183 HD2 LYS 22 HD1 LYS 22 -10.176 -11.084 -28.447 184 HD3 LYS 22 HD2 LYS 22 -11.342 -11.818 -27.295 185 HE2 LYS 22 HE1 LYS 22 -13.147 -10.252 -28.114 186 HE3 LYS 22 HE2 LYS 22 -11.953 -9.433 -29.195 187 HZ1 LYS 22 HZ1 LYS 22 -13.284 -11.057 -30.373 188 HZ2 LYS 22 HZ2 LYS 22 -12.764 -12.299 -29.343 189 HZ3 LYS 22 HZ3 LYS 22 -11.655 -11.522 -30.362 190 H LYS 23 HN LYS 23 -11.272 -6.185 -23.553 191 HA LYS 23 HA LYS 23 -11.541 -4.062 -24.008 192 HB2 LYS 23 HB1 LYS 23 -9.686 -4.495 -25.706 193 HB3 LYS 23 HB2 LYS 23 -10.965 -4.592 -26.941 194 HG2 LYS 23 HG1 LYS 23 -11.580 -2.142 -25.707 195 HG3 LYS 23 HG2 LYS 23 -9.817 -2.216 -25.441 196 HD2 LYS 23 HD1 LYS 23 -10.187 -1.008 -27.486 197 HD3 LYS 23 HD2 LYS 23 -9.550 -2.620 -27.968 198 HE2 LYS 23 HE1 LYS 23 -11.905 -3.376 -28.526 199 HE3 LYS 23 HE2 LYS 23 -12.548 -1.791 -27.958 200 HZ1 LYS 23 HZ1 LYS 23 -10.653 -2.192 -30.224 201 HZ2 LYS 23 HZ2 LYS 23 -11.283 -0.707 -29.696 202 HZ3 LYS 23 HZ3 LYS 23 -12.317 -1.884 -30.344 203 H CYS 24 HN CYS 24 -13.859 -5.134 -23.553 204 HA CYS 24 HA CYS 24 -15.731 -4.732 -25.664 205 HB2 CYS 24 HB1 CYS 24 -17.498 -5.227 -24.163 206 HB3 CYS 24 HB2 CYS 24 -16.137 -6.314 -23.778 Start of MODEL 11 1 H1 PHE 1 HN PHE 1 -0.374 1.285 -0.170 2 HA PHE 1 HA PHE 1 1.898 0.494 -0.093 3 HB2 PHE 1 HB1 PHE 1 1.100 -0.822 -2.770 4 HB3 PHE 1 HB2 PHE 1 2.821 -0.679 -2.209 5 HD1 PHE 1 HD1 PHE 1 -0.482 -2.253 -1.470 6 HD2 PHE 1 HD2 PHE 1 3.701 -2.069 -0.507 7 HE1 PHE 1 HE1 PHE 1 -0.689 -4.348 -0.161 8 HE2 PHE 1 HE2 PHE 1 3.494 -4.165 0.794 9 HZ PHE 1 HZ PHE 1 1.299 -5.305 0.970 10 H LEU 2 HN LEU 2 2.700 0.920 -3.240 11 HA LEU 2 HA LEU 2 3.270 3.623 -2.850 12 HB2 LEU 2 HB1 LEU 2 3.364 1.918 -5.395 13 HB3 LEU 2 HB2 LEU 2 3.911 3.622 -5.320 14 HG LEU 2 HG LEU 2 5.529 2.945 -3.458 15 HD11 LEU 2 HD11 LEU 2 4.896 0.112 -4.522 16 HD12 LEU 2 HD12 LEU 2 4.751 0.691 -2.811 17 HD13 LEU 2 HD13 LEU 2 6.361 0.557 -3.578 18 HD21 LEU 2 HD21 LEU 2 7.218 2.183 -5.121 19 HD22 LEU 2 HD22 LEU 2 6.200 3.511 -5.786 20 HD23 LEU 2 HD23 LEU 2 5.907 1.801 -6.297 21 HA PRO 3 HA PRO 3 -0.588 5.359 -4.205 22 HB2 PRO 3 HB1 PRO 3 0.103 8.040 -4.715 23 HB3 PRO 3 HB2 PRO 3 0.042 7.325 -3.061 24 HG2 PRO 3 HG1 PRO 3 2.519 7.591 -4.858 25 HG3 PRO 3 HG2 PRO 3 2.323 8.139 -3.140 26 HD2 PRO 3 HD1 PRO 3 3.480 5.723 -3.695 27 HD3 PRO 3 HD2 PRO 3 2.275 5.845 -2.335 28 H ILE 4 HN ILE 4 2.008 4.954 -6.281 29 HA ILE 4 HA ILE 4 1.001 5.802 -8.770 30 HB ILE 4 HB ILE 4 2.704 3.352 -8.099 31 HG12 ILE 4 HG11 ILE 4 3.578 6.217 -8.828 32 HG13 ILE 4 HG12 ILE 4 3.665 5.510 -7.186 33 HG21 ILE 4 HG21 ILE 4 1.724 3.285 -10.430 34 HG22 ILE 4 HG22 ILE 4 2.347 4.952 -10.734 35 HG23 ILE 4 HG23 ILE 4 3.484 3.579 -10.487 36 HD11 ILE 4 HD1 ILE 4 5.881 5.366 -8.179 37 HD12 ILE 4 HD2 ILE 4 5.216 3.699 -8.060 38 HD13 ILE 4 HD3 ILE 4 5.253 4.549 -9.649 39 H LEU 5 HN LEU 5 0.391 2.829 -6.812 40 HA LEU 5 HA LEU 5 -1.152 1.500 -8.758 41 HB2 LEU 5 HB1 LEU 5 -1.230 1.273 -5.697 42 HB3 LEU 5 HB2 LEU 5 -1.896 0.080 -6.856 43 HG LEU 5 HG LEU 5 1.068 0.822 -6.485 44 HD11 LEU 5 HD11 LEU 5 1.272 -1.462 -5.545 45 HD12 LEU 5 HD12 LEU 5 -0.486 -1.753 -5.812 46 HD13 LEU 5 HD13 LEU 5 0.045 -0.506 -4.627 47 HD21 LEU 5 HD21 LEU 5 0.688 0.196 -8.873 48 HD22 LEU 5 HD22 LEU 5 -0.225 -1.274 -8.351 49 HD23 LEU 5 HD23 LEU 5 1.534 -1.132 -8.003 50 H ALA 6 HN ALA 6 -2.106 3.690 -6.072 51 HA ALA 6 HA ALA 6 -4.870 3.604 -6.548 52 HB1 ALA 6 HB1 ALA 6 -4.906 5.724 -5.214 53 HB2 ALA 6 HB2 ALA 6 -3.812 4.514 -4.465 54 HB3 ALA 6 HB3 ALA 6 -3.120 5.879 -5.413 55 H SER 7 HN SER 7 -2.343 5.744 -7.897 56 HA SER 7 HA SER 7 -4.034 7.298 -9.508 57 HB2 SER 7 HB1 SER 7 -1.600 7.761 -8.935 58 HB3 SER 7 HB2 SER 7 -1.123 6.532 -10.142 59 HG SER 7 HG1 SER 7 -1.188 8.800 -10.800 60 H LEU 8 HN LEU 8 -2.326 4.208 -10.353 61 HA LEU 8 HA LEU 8 -3.346 4.031 -12.976 62 HB2 LEU 8 HB1 LEU 8 -2.436 1.891 -10.979 63 HB3 LEU 8 HB2 LEU 8 -2.830 1.531 -12.688 64 HG LEU 8 HG LEU 8 -0.621 3.482 -11.817 65 HD11 LEU 8 HD11 LEU 8 -0.121 1.177 -11.032 66 HD12 LEU 8 HD12 LEU 8 0.965 1.647 -12.391 67 HD13 LEU 8 HD13 LEU 8 -0.418 0.531 -12.689 68 HD21 LEU 8 HD21 LEU 8 0.190 3.167 -14.173 69 HD22 LEU 8 HD22 LEU 8 -1.432 3.948 -14.114 70 HD23 LEU 8 HD23 LEU 8 -1.281 2.197 -14.544 71 H ALA 9 HN ALA 9 -4.634 2.676 -9.875 72 HA ALA 9 HA ALA 9 -6.826 1.390 -10.975 73 HB1 ALA 9 HB1 ALA 9 -6.486 2.687 -8.202 74 HB2 ALA 9 HB2 ALA 9 -7.709 1.430 -8.628 75 HB3 ALA 9 HB3 ALA 9 -5.953 1.033 -8.655 76 H ALA 10 HN ALA 10 -6.669 4.788 -9.710 77 HA ALA 10 HA ALA 10 -9.340 5.384 -10.179 78 HB1 ALA 10 HB1 ALA 10 -6.865 7.218 -10.292 79 HB2 ALA 10 HB2 ALA 10 -8.578 7.770 -10.066 80 HB3 ALA 10 HB3 ALA 10 -7.776 6.762 -8.811 81 H LYS 11 HN LYS 11 -6.605 5.623 -12.480 82 HA LYS 11 HA LYS 11 -8.338 6.836 -14.495 83 HB2 LYS 11 HB1 LYS 11 -5.390 6.223 -14.289 84 HB3 LYS 11 HB2 LYS 11 -6.106 6.270 -15.921 85 HG2 LYS 11 HG1 LYS 11 -5.285 8.496 -15.551 86 HG3 LYS 11 HG2 LYS 11 -7.060 8.487 -15.571 87 HD2 LYS 11 HD1 LYS 11 -6.886 9.846 -13.797 88 HD3 LYS 11 HD2 LYS 11 -6.754 8.349 -12.856 89 HE2 LYS 11 HE1 LYS 11 -4.460 10.217 -13.796 90 HE3 LYS 11 HE2 LYS 11 -5.057 9.965 -12.106 91 HZ1 LYS 11 HZ1 LYS 11 -3.562 8.071 -13.841 92 HZ2 LYS 11 HZ2 LYS 11 -4.430 7.553 -12.498 93 HZ3 LYS 11 HZ3 LYS 11 -3.178 8.612 -12.273 94 H PHE 12 HN PHE 12 -6.853 3.565 -14.040 95 HA PHE 12 HA PHE 12 -8.161 2.797 -16.563 96 HB2 PHE 12 HB1 PHE 12 -5.934 1.434 -14.937 97 HB3 PHE 12 HB2 PHE 12 -6.551 0.888 -16.547 98 HD1 PHE 12 HD1 PHE 12 -3.936 2.611 -15.057 99 HD2 PHE 12 HD2 PHE 12 -6.703 2.985 -18.321 100 HE1 PHE 12 HE1 PHE 12 -2.366 4.146 -16.220 101 HE2 PHE 12 HE2 PHE 12 -5.148 4.525 -19.468 102 HZ PHE 12 HZ PHE 12 -2.977 5.107 -18.420 103 H GLY 13 HN GLY 13 -8.632 2.310 -13.148 104 HA2 GLY 13 HA1 GLY 13 -9.736 -0.172 -12.954 105 HA3 GLY 13 HA2 GLY 13 -10.291 1.295 -12.091 106 HA PRO 14 HA PRO 14 -14.038 1.040 -14.383 107 HB2 PRO 14 HB1 PRO 14 -14.492 3.441 -15.805 108 HB3 PRO 14 HB2 PRO 14 -14.582 3.296 -14.011 109 HG2 PRO 14 HG1 PRO 14 -12.137 4.184 -15.652 110 HG3 PRO 14 HG2 PRO 14 -12.913 5.041 -14.257 111 HD2 PRO 14 HD1 PRO 14 -10.755 3.468 -13.862 112 HD3 PRO 14 HD2 PRO 14 -12.142 3.339 -12.697 113 H LYS 15 HN LYS 15 -11.164 1.121 -16.219 114 HA LYS 15 HA LYS 15 -12.672 0.045 -18.524 115 HB2 LYS 15 HB1 LYS 15 -9.775 1.003 -18.599 116 HB3 LYS 15 HB2 LYS 15 -10.799 0.501 -19.968 117 HG2 LYS 15 HG1 LYS 15 -10.692 3.118 -18.442 118 HG3 LYS 15 HG2 LYS 15 -10.637 2.825 -20.195 119 HD2 LYS 15 HD1 LYS 15 -13.013 2.946 -18.291 120 HD3 LYS 15 HD2 LYS 15 -12.683 4.000 -19.672 121 HE2 LYS 15 HE1 LYS 15 -13.721 2.609 -21.219 122 HE3 LYS 15 HE2 LYS 15 -13.130 1.097 -20.437 123 HZ1 LYS 15 HZ1 LYS 15 -15.461 1.236 -20.111 124 HZ2 LYS 15 HZ2 LYS 15 -15.366 2.815 -19.480 125 HZ3 LYS 15 HZ3 LYS 15 -14.704 1.522 -18.626 126 H LEU 16 HN LEU 16 -10.944 -0.957 -15.783 127 HA LEU 16 HA LEU 16 -9.285 -2.906 -16.854 128 HB2 LEU 16 HB1 LEU 16 -9.278 -1.874 -14.571 129 HB3 LEU 16 HB2 LEU 16 -10.675 -2.877 -14.106 130 HG LEU 16 HG LEU 16 -8.024 -4.078 -15.122 131 HD11 LEU 16 HD11 LEU 16 -8.745 -3.330 -12.218 132 HD12 LEU 16 HD12 LEU 16 -7.498 -2.525 -13.244 133 HD13 LEU 16 HD13 LEU 16 -7.285 -4.244 -12.746 134 HD21 LEU 16 HD21 LEU 16 -8.679 -6.018 -13.642 135 HD22 LEU 16 HD22 LEU 16 -9.873 -5.752 -14.952 136 HD23 LEU 16 HD23 LEU 16 -10.236 -5.198 -13.270 137 H PHE 17 HN PHE 17 -12.654 -3.210 -15.700 138 HA PHE 17 HA PHE 17 -13.036 -5.901 -16.329 139 HB2 PHE 17 HB1 PHE 17 -14.604 -4.492 -14.936 140 HB3 PHE 17 HB2 PHE 17 -15.073 -3.568 -16.408 141 HD1 PHE 17 HD1 PHE 17 -16.871 -4.365 -17.715 142 HD2 PHE 17 HD2 PHE 17 -14.914 -7.072 -15.009 143 HE1 PHE 17 HE1 PHE 17 -18.556 -6.106 -18.234 144 HE2 PHE 17 HE2 PHE 17 -16.596 -8.810 -15.535 145 HZ PHE 17 HZ PHE 17 -18.414 -8.330 -17.151 146 H CYS 18 HN CYS 18 -13.262 -3.024 -18.423 147 HA CYS 18 HA CYS 18 -14.196 -4.413 -20.726 148 HB2 CYS 18 HB1 CYS 18 -12.584 -1.801 -20.554 149 HB3 CYS 18 HB2 CYS 18 -13.375 -2.420 -22.024 150 H LEU 19 HN LEU 19 -10.839 -3.646 -19.606 151 HA LEU 19 HA LEU 19 -9.566 -4.652 -21.891 152 HB2 LEU 19 HB1 LEU 19 -8.655 -4.490 -18.968 153 HB3 LEU 19 HB2 LEU 19 -7.561 -4.941 -20.311 154 HG LEU 19 HG LEU 19 -9.059 -2.263 -20.163 155 HD11 LEU 19 HD11 LEU 19 -7.465 -2.494 -18.258 156 HD12 LEU 19 HD12 LEU 19 -6.875 -1.286 -19.460 157 HD13 LEU 19 HD13 LEU 19 -6.146 -2.933 -19.405 158 HD21 LEU 19 HD21 LEU 19 -6.724 -3.225 -21.937 159 HD22 LEU 19 HD22 LEU 19 -7.372 -1.546 -21.878 160 HD23 LEU 19 HD23 LEU 19 -8.409 -2.886 -22.491 161 H VAL 20 HN VAL 20 -10.460 -6.395 -18.863 162 HA VAL 20 HA VAL 20 -9.560 -8.925 -19.739 163 HB VAL 20 HB VAL 20 -11.817 -8.164 -17.820 164 HG11 VAL 20 HG11 VAL 20 -12.088 -10.548 -18.534 165 HG12 VAL 20 HG12 VAL 20 -10.329 -10.848 -18.265 166 HG13 VAL 20 HG13 VAL 20 -11.413 -10.489 -16.872 167 HG21 VAL 20 HG21 VAL 20 -9.572 -7.251 -17.132 168 HG22 VAL 20 HG22 VAL 20 -10.055 -8.615 -16.070 169 HG23 VAL 20 HG23 VAL 20 -8.837 -8.881 -17.367 170 H THR 21 HN THR 21 -12.755 -7.322 -20.097 171 HA THR 21 HA THR 21 -13.796 -9.609 -21.537 172 HB THR 21 HB THR 21 -15.291 -6.995 -21.160 173 HG1 THR 21 HG1 THR 21 -14.688 -7.560 -19.142 174 HG21 THR 21 HG21 THR 21 -16.339 -8.809 -22.639 175 HG22 THR 21 HG22 THR 21 -17.230 -8.608 -21.087 176 HG23 THR 21 HG23 THR 21 -16.105 -9.995 -21.295 177 H LYS 22 HN LYS 22 -11.682 -8.631 -22.973 178 HA LYS 22 HA LYS 22 -11.057 -8.216 -25.063 179 HB2 LYS 22 HB1 LYS 22 -12.850 -10.068 -25.182 180 HB3 LYS 22 HB2 LYS 22 -13.940 -8.822 -25.847 181 HG2 LYS 22 HG1 LYS 22 -12.223 -8.495 -27.749 182 HG3 LYS 22 HG2 LYS 22 -11.313 -9.891 -27.082 183 HD2 LYS 22 HD1 LYS 22 -13.322 -11.349 -27.406 184 HD3 LYS 22 HD2 LYS 22 -14.273 -9.924 -27.945 185 HE2 LYS 22 HE1 LYS 22 -12.735 -9.654 -29.943 186 HE3 LYS 22 HE2 LYS 22 -11.839 -11.141 -29.433 187 HZ1 LYS 22 HZ1 LYS 22 -13.510 -11.615 -31.106 188 HZ2 LYS 22 HZ2 LYS 22 -14.737 -10.981 -30.127 189 HZ3 LYS 22 HZ3 LYS 22 -13.910 -12.379 -29.647 190 H LYS 23 HN LYS 23 -11.865 -5.830 -23.722 191 HA LYS 23 HA LYS 23 -11.743 -3.673 -24.102 192 HB2 LYS 23 HB1 LYS 23 -12.575 -4.017 -27.016 193 HB3 LYS 23 HB2 LYS 23 -12.099 -2.486 -26.231 194 HG2 LYS 23 HG1 LYS 23 -9.786 -3.361 -25.867 195 HG3 LYS 23 HG2 LYS 23 -10.258 -4.917 -26.633 196 HD2 LYS 23 HD1 LYS 23 -10.877 -3.697 -28.733 197 HD3 LYS 23 HD2 LYS 23 -10.359 -2.149 -27.989 198 HE2 LYS 23 HE1 LYS 23 -7.989 -3.014 -27.829 199 HE3 LYS 23 HE2 LYS 23 -8.516 -4.581 -28.563 200 HZ1 LYS 23 HZ1 LYS 23 -8.705 -1.894 -29.849 201 HZ2 LYS 23 HZ2 LYS 23 -9.205 -3.358 -30.533 202 HZ3 LYS 23 HZ3 LYS 23 -7.564 -3.095 -30.205 203 H CYS 24 HN CYS 24 -14.336 -5.589 -23.972 204 HA CYS 24 HA CYS 24 -16.497 -5.490 -24.106 205 HB2 CYS 24 HB1 CYS 24 -17.633 -4.294 -22.371 206 HB3 CYS 24 HB2 CYS 24 -16.072 -4.919 -21.785 Start of MODEL 12 1 H1 PHE 1 HN PHE 1 3.237 4.403 1.142 2 HA PHE 1 HA PHE 1 5.262 4.450 -0.277 3 HB2 PHE 1 HB1 PHE 1 4.136 1.636 0.380 4 HB3 PHE 1 HB2 PHE 1 5.871 2.001 0.035 5 HD1 PHE 1 HD1 PHE 1 3.349 1.817 2.591 6 HD2 PHE 1 HD2 PHE 1 7.020 3.776 1.514 7 HE1 PHE 1 HE1 PHE 1 3.730 2.412 4.965 8 HE2 PHE 1 HE2 PHE 1 7.397 4.371 3.889 9 HZ PHE 1 HZ PHE 1 5.751 3.693 5.613 10 H LEU 2 HN LEU 2 2.549 2.489 -1.461 11 HA LEU 2 HA LEU 2 3.761 2.535 -4.174 12 HB2 LEU 2 HB1 LEU 2 1.807 0.511 -2.991 13 HB3 LEU 2 HB2 LEU 2 2.479 0.482 -4.656 14 HG LEU 2 HG LEU 2 4.115 0.192 -2.070 15 HD11 LEU 2 HD11 LEU 2 4.334 -2.192 -2.739 16 HD12 LEU 2 HD12 LEU 2 3.259 -1.910 -4.159 17 HD13 LEU 2 HD13 LEU 2 2.607 -1.748 -2.483 18 HD21 LEU 2 HD21 LEU 2 4.953 -0.102 -5.030 19 HD22 LEU 2 HD22 LEU 2 5.963 -0.537 -3.602 20 HD23 LEU 2 HD23 LEU 2 5.510 1.178 -3.878 21 HA PRO 3 HA PRO 3 -0.299 4.834 -4.330 22 HB2 PRO 3 HB1 PRO 3 0.492 7.193 -5.595 23 HB3 PRO 3 HB2 PRO 3 0.777 6.913 -3.835 24 HG2 PRO 3 HG1 PRO 3 2.767 6.374 -6.120 25 HG3 PRO 3 HG2 PRO 3 3.029 7.382 -4.635 26 HD2 PRO 3 HD1 PRO 3 3.817 4.749 -4.697 27 HD3 PRO 3 HD2 PRO 3 3.031 5.438 -3.211 28 H ILE 4 HN ILE 4 1.851 3.533 -6.511 29 HA ILE 4 HA ILE 4 0.812 4.096 -9.040 30 HB ILE 4 HB ILE 4 2.131 1.544 -7.990 31 HG12 ILE 4 HG11 ILE 4 3.430 4.017 -9.290 32 HG13 ILE 4 HG12 ILE 4 3.466 3.673 -7.534 33 HG21 ILE 4 HG21 ILE 4 2.815 1.235 -10.411 34 HG22 ILE 4 HG22 ILE 4 1.038 1.209 -10.227 35 HG23 ILE 4 HG23 ILE 4 1.851 2.690 -10.859 36 HD11 ILE 4 HD1 ILE 4 4.653 1.487 -7.978 37 HD12 ILE 4 HD2 ILE 4 4.750 1.924 -9.724 38 HD13 ILE 4 HD3 ILE 4 5.580 2.938 -8.496 39 H LEU 5 HN LEU 5 -0.177 1.585 -6.625 40 HA LEU 5 HA LEU 5 -2.070 0.348 -8.313 41 HB2 LEU 5 HB1 LEU 5 -1.891 0.557 -5.248 42 HB3 LEU 5 HB2 LEU 5 -3.137 -0.402 -6.100 43 HG LEU 5 HG LEU 5 -1.491 -1.885 -5.317 44 HD11 LEU 5 HD11 LEU 5 -2.461 -2.389 -7.571 45 HD12 LEU 5 HD12 LEU 5 -0.819 -3.093 -7.340 46 HD13 LEU 5 HD13 LEU 5 -1.023 -1.620 -8.352 47 HD21 LEU 5 HD21 LEU 5 0.736 -0.442 -6.873 48 HD22 LEU 5 HD22 LEU 5 0.880 -1.896 -5.825 49 HD23 LEU 5 HD23 LEU 5 0.439 -0.312 -5.089 50 H ALA 6 HN ALA 6 -2.413 3.080 -6.009 51 HA ALA 6 HA ALA 6 -5.186 3.410 -6.390 52 HB1 ALA 6 HB1 ALA 6 -4.802 5.628 -5.290 53 HB2 ALA 6 HB2 ALA 6 -3.916 4.319 -4.438 54 HB3 ALA 6 HB3 ALA 6 -3.022 5.431 -5.534 55 H SER 7 HN SER 7 -2.384 4.944 -8.091 56 HA SER 7 HA SER 7 -4.041 6.609 -9.670 57 HB2 SER 7 HB1 SER 7 -2.102 7.148 -11.025 58 HB3 SER 7 HB2 SER 7 -1.661 7.143 -9.277 59 HG SER 7 HG1 SER 7 -0.089 6.043 -10.422 60 H LEU 8 HN LEU 8 -2.585 3.393 -10.428 61 HA LEU 8 HA LEU 8 -3.803 3.204 -12.960 62 HB2 LEU 8 HB1 LEU 8 -2.832 1.050 -11.016 63 HB3 LEU 8 HB2 LEU 8 -3.405 0.687 -12.677 64 HG LEU 8 HG LEU 8 -1.013 2.484 -11.989 65 HD11 LEU 8 HD11 LEU 8 0.367 0.588 -12.824 66 HD12 LEU 8 HD12 LEU 8 -1.121 -0.401 -13.084 67 HD13 LEU 8 HD13 LEU 8 -0.639 0.085 -11.415 68 HD21 LEU 8 HD21 LEU 8 -2.008 3.160 -14.169 69 HD22 LEU 8 HD22 LEU 8 -2.046 1.433 -14.707 70 HD23 LEU 8 HD23 LEU 8 -0.472 2.267 -14.440 71 H ALA 9 HN ALA 9 -5.052 1.951 -9.746 72 HA ALA 9 HA ALA 9 -7.283 0.742 -10.899 73 HB1 ALA 9 HB1 ALA 9 -6.492 0.301 -8.576 74 HB2 ALA 9 HB2 ALA 9 -6.941 1.970 -8.097 75 HB3 ALA 9 HB3 ALA 9 -8.223 0.789 -8.572 76 H ALA 10 HN ALA 10 -6.980 4.085 -9.571 77 HA ALA 10 HA ALA 10 -9.643 4.778 -10.106 78 HB1 ALA 10 HB1 ALA 10 -8.191 5.967 -8.499 79 HB2 ALA 10 HB2 ALA 10 -7.135 6.524 -9.838 80 HB3 ALA 10 HB3 ALA 10 -8.860 7.114 -9.716 81 H LYS 11 HN LYS 11 -6.758 5.100 -12.263 82 HA LYS 11 HA LYS 11 -8.507 6.530 -14.184 83 HB2 LYS 11 HB1 LYS 11 -5.487 6.328 -13.831 84 HB3 LYS 11 HB2 LYS 11 -6.220 6.945 -15.340 85 HG2 LYS 11 HG1 LYS 11 -5.554 8.808 -13.977 86 HG3 LYS 11 HG2 LYS 11 -7.333 8.790 -14.174 87 HD2 LYS 11 HD1 LYS 11 -7.636 7.950 -11.892 88 HD3 LYS 11 HD2 LYS 11 -5.861 7.753 -11.675 89 HE2 LYS 11 HE1 LYS 11 -5.565 10.243 -11.765 90 HE3 LYS 11 HE2 LYS 11 -7.330 10.454 -12.103 91 HZ1 LYS 11 HZ1 LYS 11 -6.787 10.789 -9.767 92 HZ2 LYS 11 HZ2 LYS 11 -6.181 9.212 -9.642 93 HZ3 LYS 11 HZ3 LYS 11 -7.821 9.466 -9.970 94 H PHE 12 HN PHE 12 -7.152 3.319 -13.784 95 HA PHE 12 HA PHE 12 -7.928 2.750 -16.578 96 HB2 PHE 12 HB1 PHE 12 -5.571 1.638 -14.940 97 HB3 PHE 12 HB2 PHE 12 -6.226 0.795 -16.380 98 HD1 PHE 12 HD1 PHE 12 -4.734 4.065 -15.268 99 HD2 PHE 12 HD2 PHE 12 -5.552 1.382 -18.513 100 HE1 PHE 12 HE1 PHE 12 -3.354 5.468 -16.771 101 HE2 PHE 12 HE2 PHE 12 -4.154 2.771 -20.017 102 HZ PHE 12 HZ PHE 12 -3.067 4.825 -19.149 103 H GLY 13 HN GLY 13 -8.882 2.143 -13.330 104 HA2 GLY 13 HA1 GLY 13 -9.669 -0.435 -13.312 105 HA3 GLY 13 HA2 GLY 13 -10.616 0.931 -12.654 106 HA PRO 14 HA PRO 14 -13.677 0.018 -15.707 107 HB2 PRO 14 HB1 PRO 14 -14.156 2.328 -17.281 108 HB3 PRO 14 HB2 PRO 14 -14.732 2.097 -15.590 109 HG2 PRO 14 HG1 PRO 14 -12.171 3.523 -16.496 110 HG3 PRO 14 HG2 PRO 14 -13.433 4.118 -15.337 111 HD2 PRO 14 HD1 PRO 14 -11.149 2.970 -14.395 112 HD3 PRO 14 HD2 PRO 14 -12.740 2.505 -13.647 113 H LYS 15 HN LYS 15 -10.696 1.329 -17.075 114 HA LYS 15 HA LYS 15 -11.137 0.278 -19.704 115 HB2 LYS 15 HB1 LYS 15 -8.396 0.729 -18.403 116 HB3 LYS 15 HB2 LYS 15 -8.787 0.567 -20.138 117 HG2 LYS 15 HG1 LYS 15 -10.250 2.743 -19.791 118 HG3 LYS 15 HG2 LYS 15 -9.318 2.932 -18.271 119 HD2 LYS 15 HD1 LYS 15 -7.194 2.515 -19.889 120 HD3 LYS 15 HD2 LYS 15 -8.359 2.841 -21.188 121 HE2 LYS 15 HE1 LYS 15 -7.300 4.923 -20.882 122 HE3 LYS 15 HE2 LYS 15 -8.849 5.137 -19.978 123 HZ1 LYS 15 HZ1 LYS 15 -6.280 4.282 -18.706 124 HZ2 LYS 15 HZ2 LYS 15 -7.669 4.813 -17.925 125 HZ3 LYS 15 HZ3 LYS 15 -6.773 5.893 -18.837 126 H LEU 16 HN LEU 16 -9.578 -1.010 -16.747 127 HA LEU 16 HA LEU 16 -8.691 -3.423 -17.794 128 HB2 LEU 16 HB1 LEU 16 -8.008 -2.307 -15.654 129 HB3 LEU 16 HB2 LEU 16 -9.579 -2.731 -14.927 130 HG LEU 16 HG LEU 16 -7.556 -4.110 -14.279 131 HD11 LEU 16 HD11 LEU 16 -9.831 -5.827 -15.432 132 HD12 LEU 16 HD12 LEU 16 -9.889 -4.916 -13.873 133 HD13 LEU 16 HD13 LEU 16 -8.695 -6.244 -14.108 134 HD21 LEU 16 HD21 LEU 16 -6.498 -4.330 -16.548 135 HD22 LEU 16 HD22 LEU 16 -7.838 -5.440 -17.044 136 HD23 LEU 16 HD23 LEU 16 -6.725 -5.913 -15.716 137 H PHE 17 HN PHE 17 -11.852 -2.639 -16.267 138 HA PHE 17 HA PHE 17 -12.985 -5.182 -16.464 139 HB2 PHE 17 HB1 PHE 17 -13.930 -3.179 -15.211 140 HB3 PHE 17 HB2 PHE 17 -14.342 -2.415 -16.785 141 HD1 PHE 17 HD1 PHE 17 -14.987 -5.394 -14.597 142 HD2 PHE 17 HD2 PHE 17 -16.349 -3.031 -17.914 143 HE1 PHE 17 HE1 PHE 17 -17.142 -6.617 -14.582 144 HE2 PHE 17 HE2 PHE 17 -18.505 -4.253 -17.902 145 HZ PHE 17 HZ PHE 17 -18.904 -6.047 -16.234 146 H CYS 18 HN CYS 18 -12.988 -2.535 -18.912 147 HA CYS 18 HA CYS 18 -14.250 -4.030 -20.935 148 HB2 CYS 18 HB1 CYS 18 -12.303 -1.666 -21.088 149 HB3 CYS 18 HB2 CYS 18 -13.158 -2.326 -22.518 150 H LEU 19 HN LEU 19 -10.744 -3.839 -20.132 151 HA LEU 19 HA LEU 19 -9.857 -5.323 -22.347 152 HB2 LEU 19 HB1 LEU 19 -8.699 -4.984 -19.538 153 HB3 LEU 19 HB2 LEU 19 -7.855 -5.900 -20.823 154 HG LEU 19 HG LEU 19 -8.649 -2.950 -21.102 155 HD11 LEU 19 HD11 LEU 19 -7.001 -3.255 -19.249 156 HD12 LEU 19 HD12 LEU 19 -6.234 -2.461 -20.678 157 HD13 LEU 19 HD13 LEU 19 -5.935 -4.208 -20.347 158 HD21 LEU 19 HD21 LEU 19 -8.356 -4.087 -23.304 159 HD22 LEU 19 HD22 LEU 19 -6.769 -4.752 -22.760 160 HD23 LEU 19 HD23 LEU 19 -6.977 -2.978 -22.979 161 H VAL 20 HN VAL 20 -11.007 -6.493 -19.148 162 HA VAL 20 HA VAL 20 -10.566 -9.219 -19.596 163 HB VAL 20 HB VAL 20 -12.667 -7.754 -17.946 164 HG11 VAL 20 HG11 VAL 20 -12.889 -9.958 -16.696 165 HG12 VAL 20 HG12 VAL 20 -13.540 -10.060 -18.366 166 HG13 VAL 20 HG13 VAL 20 -11.921 -10.764 -17.984 167 HG21 VAL 20 HG21 VAL 20 -11.123 -8.365 -16.066 168 HG22 VAL 20 HG22 VAL 20 -10.014 -9.187 -17.221 169 HG23 VAL 20 HG23 VAL 20 -10.232 -7.401 -17.294 170 H THR 21 HN THR 21 -13.313 -7.165 -20.676 171 HA THR 21 HA THR 21 -14.747 -9.341 -21.829 172 HB THR 21 HB THR 21 -14.966 -6.554 -23.002 173 HG1 THR 21 HG1 THR 21 -15.735 -7.299 -20.400 174 HG21 THR 21 HG21 THR 21 -16.509 -8.404 -23.782 175 HG22 THR 21 HG22 THR 21 -17.410 -7.129 -22.888 176 HG23 THR 21 HG23 THR 21 -17.022 -8.690 -22.076 177 H LYS 22 HN LYS 22 -11.855 -7.833 -22.813 178 HA LYS 22 HA LYS 22 -10.636 -7.673 -24.613 179 HB2 LYS 22 HB1 LYS 22 -11.431 -10.102 -24.982 180 HB3 LYS 22 HB2 LYS 22 -12.521 -9.399 -26.234 181 HG2 LYS 22 HG1 LYS 22 -10.296 -8.332 -27.204 182 HG3 LYS 22 HG2 LYS 22 -9.445 -9.515 -26.176 183 HD2 LYS 22 HD1 LYS 22 -11.393 -10.030 -28.525 184 HD3 LYS 22 HD2 LYS 22 -9.642 -10.327 -28.462 185 HE2 LYS 22 HE1 LYS 22 -10.586 -12.500 -28.282 186 HE3 LYS 22 HE2 LYS 22 -10.105 -12.088 -26.589 187 HZ1 LYS 22 HZ1 LYS 22 -12.415 -11.378 -26.231 188 HZ2 LYS 22 HZ2 LYS 22 -12.313 -13.023 -26.649 189 HZ3 LYS 22 HZ3 LYS 22 -12.830 -11.873 -27.791 190 H LYS 23 HN LYS 23 -12.278 -5.686 -24.025 191 HA LYS 23 HA LYS 23 -12.751 -3.677 -24.778 192 HB2 LYS 23 HB1 LYS 23 -11.519 -4.146 -26.929 193 HB3 LYS 23 HB2 LYS 23 -13.052 -4.631 -27.670 194 HG2 LYS 23 HG1 LYS 23 -12.426 -1.862 -26.422 195 HG3 LYS 23 HG2 LYS 23 -12.192 -2.269 -28.137 196 HD2 LYS 23 HD1 LYS 23 -14.912 -2.067 -26.690 197 HD3 LYS 23 HD2 LYS 23 -14.164 -0.924 -27.822 198 HE2 LYS 23 HE1 LYS 23 -15.545 -1.903 -29.342 199 HE3 LYS 23 HE2 LYS 23 -14.158 -3.046 -29.521 200 HZ1 LYS 23 HZ1 LYS 23 -16.263 -4.223 -29.243 201 HZ2 LYS 23 HZ2 LYS 23 -16.558 -3.398 -27.785 202 HZ3 LYS 23 HZ3 LYS 23 -15.313 -4.473 -27.854 203 H CYS 24 HN CYS 24 -14.632 -3.463 -23.614 204 HA CYS 24 HA CYS 24 -16.981 -4.926 -24.305 205 HB2 CYS 24 HB1 CYS 24 -18.023 -3.637 -22.423 206 HB3 CYS 24 HB2 CYS 24 -16.497 -4.434 -21.973 Start of MODEL 13 1 H1 PHE 1 HN PHE 1 3.142 4.811 1.644 2 HA PHE 1 HA PHE 1 5.162 4.666 0.219 3 HB2 PHE 1 HB1 PHE 1 3.875 1.964 1.035 4 HB3 PHE 1 HB2 PHE 1 5.627 2.205 0.662 5 HD1 PHE 1 HD1 PHE 1 3.122 2.308 3.240 6 HD2 PHE 1 HD2 PHE 1 6.886 4.001 2.036 7 HE1 PHE 1 HE1 PHE 1 3.554 3.012 5.574 8 HE2 PHE 1 HE2 PHE 1 7.313 4.705 4.372 9 HZ PHE 1 HZ PHE 1 5.648 4.212 6.141 10 H LEU 2 HN LEU 2 2.333 2.795 -0.848 11 HA LEU 2 HA LEU 2 3.544 2.619 -3.555 12 HB2 LEU 2 HB1 LEU 2 1.469 0.783 -2.273 13 HB3 LEU 2 HB2 LEU 2 2.161 0.612 -3.922 14 HG LEU 2 HG LEU 2 3.741 0.389 -1.296 15 HD11 LEU 2 HD11 LEU 2 2.129 -1.484 -1.620 16 HD12 LEU 2 HD12 LEU 2 3.831 -2.039 -1.819 17 HD13 LEU 2 HD13 LEU 2 2.793 -1.782 -3.271 18 HD21 LEU 2 HD21 LEU 2 4.604 -0.134 -4.217 19 HD22 LEU 2 HD22 LEU 2 5.565 -0.534 -2.746 20 HD23 LEU 2 HD23 LEU 2 5.216 1.183 -3.137 21 HA PRO 3 HA PRO 3 -0.443 5.043 -3.979 22 HB2 PRO 3 HB1 PRO 3 0.472 7.362 -5.224 23 HB3 PRO 3 HB2 PRO 3 0.626 7.122 -3.443 24 HG2 PRO 3 HG1 PRO 3 2.773 6.509 -5.562 25 HG3 PRO 3 HG2 PRO 3 2.935 7.548 -4.084 26 HD2 PRO 3 HD1 PRO 3 3.689 4.900 -4.044 27 HD3 PRO 3 HD2 PRO 3 2.831 5.640 -2.623 28 H ILE 4 HN ILE 4 1.901 3.674 -5.912 29 HA ILE 4 HA ILE 4 1.132 4.181 -8.530 30 HB ILE 4 HB ILE 4 2.194 1.560 -7.378 31 HG12 ILE 4 HG11 ILE 4 3.673 3.303 -6.548 32 HG13 ILE 4 HG12 ILE 4 4.459 2.405 -7.863 33 HG21 ILE 4 HG21 ILE 4 2.357 2.814 -10.205 34 HG22 ILE 4 HG22 ILE 4 3.239 1.339 -9.668 35 HG23 ILE 4 HG23 ILE 4 1.446 1.330 -9.735 36 HD11 ILE 4 HD1 ILE 4 3.199 5.225 -8.127 37 HD12 ILE 4 HD2 ILE 4 4.947 4.820 -8.068 38 HD13 ILE 4 HD3 ILE 4 3.964 4.292 -9.474 39 H LEU 5 HN LEU 5 -0.177 1.735 -6.205 40 HA LEU 5 HA LEU 5 -1.850 0.435 -8.043 41 HB2 LEU 5 HB1 LEU 5 -1.962 0.762 -4.994 42 HB3 LEU 5 HB2 LEU 5 -3.192 -0.163 -5.904 43 HG LEU 5 HG LEU 5 -1.396 -1.658 -6.823 44 HD11 LEU 5 HD11 LEU 5 0.353 -0.266 -4.698 45 HD12 LEU 5 HD12 LEU 5 0.684 -0.342 -6.480 46 HD13 LEU 5 HD13 LEU 5 0.747 -1.835 -5.483 47 HD21 LEU 5 HD21 LEU 5 -2.885 -2.283 -4.920 48 HD22 LEU 5 HD22 LEU 5 -1.720 -1.545 -3.758 49 HD23 LEU 5 HD23 LEU 5 -1.239 -2.988 -4.720 50 H ALA 6 HN ALA 6 -2.593 3.204 -5.839 51 HA ALA 6 HA ALA 6 -5.253 3.542 -6.692 52 HB1 ALA 6 HB1 ALA 6 -4.314 4.509 -4.585 53 HB2 ALA 6 HB2 ALA 6 -3.230 5.572 -5.549 54 HB3 ALA 6 HB3 ALA 6 -5.019 5.801 -5.613 55 H SER 7 HN SER 7 -2.215 4.986 -7.848 56 HA SER 7 HA SER 7 -3.284 6.703 -9.769 57 HB2 SER 7 HB1 SER 7 -0.911 6.689 -8.892 58 HB3 SER 7 HB2 SER 7 -0.582 5.236 -9.880 59 HG SER 7 HG1 SER 7 0.053 7.240 -10.818 60 H LEU 8 HN LEU 8 -2.238 3.258 -10.191 61 HA LEU 8 HA LEU 8 -3.058 3.079 -12.898 62 HB2 LEU 8 HB1 LEU 8 -2.664 0.974 -10.706 63 HB3 LEU 8 HB2 LEU 8 -3.010 0.560 -12.414 64 HG LEU 8 HG LEU 8 -0.548 2.140 -11.473 65 HD11 LEU 8 HD11 LEU 8 -0.540 -0.190 -10.601 66 HD12 LEU 8 HD12 LEU 8 0.707 0.027 -11.884 67 HD13 LEU 8 HD13 LEU 8 -0.835 -0.827 -12.263 68 HD21 LEU 8 HD21 LEU 8 -1.242 0.883 -14.206 69 HD22 LEU 8 HD22 LEU 8 0.343 1.604 -13.756 70 HD23 LEU 8 HD23 LEU 8 -1.118 2.651 -13.845 71 H ALA 9 HN ALA 9 -4.789 2.246 -9.820 72 HA ALA 9 HA ALA 9 -6.982 1.078 -10.985 73 HB1 ALA 9 HB1 ALA 9 -6.401 0.933 -8.565 74 HB2 ALA 9 HB2 ALA 9 -6.792 2.674 -8.361 75 HB3 ALA 9 HB3 ALA 9 -8.095 1.495 -8.775 76 H ALA 10 HN ALA 10 -6.620 4.584 -10.143 77 HA ALA 10 HA ALA 10 -9.171 5.337 -10.996 78 HB1 ALA 10 HB1 ALA 10 -8.175 7.642 -11.121 79 HB2 ALA 10 HB2 ALA 10 -7.636 6.766 -9.646 80 HB3 ALA 10 HB3 ALA 10 -6.519 6.909 -11.046 81 H LYS 11 HN LYS 11 -6.176 4.994 -12.924 82 HA LYS 11 HA LYS 11 -7.357 6.070 -15.317 83 HB2 LYS 11 HB1 LYS 11 -4.837 4.401 -14.821 84 HB3 LYS 11 HB2 LYS 11 -5.240 5.142 -16.400 85 HG2 LYS 11 HG1 LYS 11 -5.060 7.407 -15.468 86 HG3 LYS 11 HG2 LYS 11 -4.935 6.754 -13.805 87 HD2 LYS 11 HD1 LYS 11 -2.784 5.537 -14.531 88 HD3 LYS 11 HD2 LYS 11 -2.878 6.411 -16.084 89 HE2 LYS 11 HE1 LYS 11 -1.276 7.521 -14.507 90 HE3 LYS 11 HE2 LYS 11 -2.674 8.616 -14.860 91 HZ1 LYS 11 HZ1 LYS 11 -1.817 7.644 -12.356 92 HZ2 LYS 11 HZ2 LYS 11 -3.261 6.921 -12.681 93 HZ3 LYS 11 HZ3 LYS 11 -3.170 8.615 -12.691 94 H PHE 12 HN PHE 12 -6.591 2.721 -14.220 95 HA PHE 12 HA PHE 12 -7.792 1.709 -16.706 96 HB2 PHE 12 HB1 PHE 12 -5.752 0.452 -14.777 97 HB3 PHE 12 HB2 PHE 12 -6.303 -0.262 -16.342 98 HD1 PHE 12 HD1 PHE 12 -3.719 1.560 -14.872 99 HD2 PHE 12 HD2 PHE 12 -6.164 1.505 -18.403 100 HE1 PHE 12 HE1 PHE 12 -1.982 2.842 -16.097 101 HE2 PHE 12 HE2 PHE 12 -4.436 2.793 -19.620 102 HZ PHE 12 HZ PHE 12 -2.347 3.465 -18.469 103 H GLY 13 HN GLY 13 -8.398 1.610 -13.236 104 HA2 GLY 13 HA1 GLY 13 -9.601 -0.857 -12.952 105 HA3 GLY 13 HA2 GLY 13 -10.037 0.645 -12.080 106 HA PRO 14 HA PRO 14 -13.809 0.605 -14.402 107 HB2 PRO 14 HB1 PRO 14 -14.097 3.128 -15.662 108 HB3 PRO 14 HB2 PRO 14 -14.342 2.814 -13.909 109 HG2 PRO 14 HG1 PRO 14 -11.759 3.804 -15.244 110 HG3 PRO 14 HG2 PRO 14 -12.618 4.506 -13.802 111 HD2 PRO 14 HD1 PRO 14 -10.503 2.841 -13.475 112 HD3 PRO 14 HD2 PRO 14 -11.970 2.601 -12.430 113 H LYS 15 HN LYS 15 -10.909 0.575 -16.149 114 HA LYS 15 HA LYS 15 -12.336 0.220 -18.716 115 HB2 LYS 15 HB1 LYS 15 -9.310 0.172 -18.311 116 HB3 LYS 15 HB2 LYS 15 -10.223 0.439 -19.823 117 HG2 LYS 15 HG1 LYS 15 -9.899 2.347 -17.424 118 HG3 LYS 15 HG2 LYS 15 -9.091 2.477 -19.014 119 HD2 LYS 15 HD1 LYS 15 -11.348 2.810 -20.112 120 HD3 LYS 15 HD2 LYS 15 -12.123 2.801 -18.504 121 HE2 LYS 15 HE1 LYS 15 -10.027 4.842 -19.538 122 HE3 LYS 15 HE2 LYS 15 -11.795 5.137 -19.288 123 HZ1 LYS 15 HZ1 LYS 15 -9.755 4.520 -17.204 124 HZ2 LYS 15 HZ2 LYS 15 -11.414 4.614 -16.910 125 HZ3 LYS 15 HZ3 LYS 15 -10.556 5.982 -17.434 126 H LEU 16 HN LEU 16 -11.042 -1.493 -16.012 127 HA LEU 16 HA LEU 16 -9.771 -3.626 -17.186 128 HB2 LEU 16 HB1 LEU 16 -9.622 -2.846 -14.830 129 HB3 LEU 16 HB2 LEU 16 -11.273 -3.425 -14.504 130 HG LEU 16 HG LEU 16 -9.311 -4.788 -13.638 131 HD11 LEU 16 HD11 LEU 16 -11.285 -6.398 -15.360 132 HD12 LEU 16 HD12 LEU 16 -11.624 -5.699 -13.731 133 HD13 LEU 16 HD13 LEU 16 -10.358 -6.965 -13.930 134 HD21 LEU 16 HD21 LEU 16 -8.151 -6.386 -15.092 135 HD22 LEU 16 HD22 LEU 16 -7.851 -4.706 -15.672 136 HD23 LEU 16 HD23 LEU 16 -9.019 -5.778 -16.542 137 H PHE 17 HN PHE 17 -13.201 -3.354 -16.234 138 HA PHE 17 HA PHE 17 -14.038 -5.895 -16.896 139 HB2 PHE 17 HB1 PHE 17 -15.660 -3.289 -17.297 140 HB3 PHE 17 HB2 PHE 17 -16.318 -4.930 -16.930 141 HD1 PHE 17 HD1 PHE 17 -15.119 -1.827 -15.546 142 HD2 PHE 17 HD2 PHE 17 -15.502 -6.029 -14.709 143 HE1 PHE 17 HE1 PHE 17 -14.799 -1.379 -13.132 144 HE2 PHE 17 HE2 PHE 17 -15.197 -5.571 -12.294 145 HZ PHE 17 HZ PHE 17 -14.839 -3.249 -11.507 146 H CYS 18 HN CYS 18 -13.699 -3.049 -19.016 147 HA CYS 18 HA CYS 18 -14.619 -4.338 -21.381 148 HB2 CYS 18 HB1 CYS 18 -12.863 -1.852 -21.002 149 HB3 CYS 18 HB2 CYS 18 -13.506 -2.403 -22.580 150 H LEU 19 HN LEU 19 -11.323 -3.986 -19.966 151 HA LEU 19 HA LEU 19 -9.989 -5.162 -22.169 152 HB2 LEU 19 HB1 LEU 19 -9.264 -5.053 -19.194 153 HB3 LEU 19 HB2 LEU 19 -8.147 -5.610 -20.478 154 HG LEU 19 HG LEU 19 -9.372 -2.792 -20.371 155 HD11 LEU 19 HD11 LEU 19 -7.131 -2.050 -19.569 156 HD12 LEU 19 HD12 LEU 19 -6.577 -3.764 -19.503 157 HD13 LEU 19 HD13 LEU 19 -7.890 -3.199 -18.404 158 HD21 LEU 19 HD21 LEU 19 -7.549 -2.237 -22.007 159 HD22 LEU 19 HD22 LEU 19 -8.691 -3.457 -22.678 160 HD23 LEU 19 HD23 LEU 19 -7.075 -3.973 -22.061 161 H VAL 20 HN VAL 20 -11.257 -6.669 -19.155 162 HA VAL 20 HA VAL 20 -10.513 -9.299 -19.736 163 HB VAL 20 HB VAL 20 -12.755 -8.126 -18.040 164 HG11 VAL 20 HG11 VAL 20 -11.759 -11.057 -18.228 165 HG12 VAL 20 HG12 VAL 20 -12.793 -10.407 -16.905 166 HG13 VAL 20 HG13 VAL 20 -13.429 -10.474 -18.583 167 HG21 VAL 20 HG21 VAL 20 -9.984 -9.356 -17.383 168 HG22 VAL 20 HG22 VAL 20 -10.373 -7.598 -17.343 169 HG23 VAL 20 HG23 VAL 20 -11.163 -8.721 -16.182 170 H THR 21 HN THR 21 -13.383 -7.472 -20.770 171 HA THR 21 HA THR 21 -14.458 -9.833 -22.132 172 HB THR 21 HB THR 21 -16.305 -8.291 -22.862 173 HG1 THR 21 HG1 THR 21 -15.255 -6.575 -20.897 174 HG21 THR 21 HG21 THR 21 -15.716 -8.444 -19.824 175 HG22 THR 21 HG22 THR 21 -16.477 -9.738 -20.822 176 HG23 THR 21 HG23 THR 21 -17.323 -8.164 -20.594 177 H LYS 22 HN LYS 22 -11.897 -8.115 -22.909 178 HA LYS 22 HA LYS 22 -10.714 -8.058 -24.727 179 HB2 LYS 22 HB1 LYS 22 -11.555 -10.346 -24.823 180 HB3 LYS 22 HB2 LYS 22 -12.896 -9.859 -25.882 181 HG2 LYS 22 HG1 LYS 22 -10.157 -9.129 -26.884 182 HG3 LYS 22 HG2 LYS 22 -10.415 -10.885 -26.686 183 HD2 LYS 22 HD1 LYS 22 -12.135 -11.055 -28.244 184 HD3 LYS 22 HD2 LYS 22 -12.665 -9.372 -28.034 185 HE2 LYS 22 HE1 LYS 22 -10.120 -10.225 -29.580 186 HE3 LYS 22 HE2 LYS 22 -11.701 -9.696 -30.291 187 HZ1 LYS 22 HZ1 LYS 22 -10.674 -7.700 -30.206 188 HZ2 LYS 22 HZ2 LYS 22 -9.646 -8.136 -28.918 189 HZ3 LYS 22 HZ3 LYS 22 -11.243 -7.728 -28.598 190 H LYS 23 HN LYS 23 -12.625 -6.021 -24.252 191 HA LYS 23 HA LYS 23 -12.775 -3.933 -24.966 192 HB2 LYS 23 HB1 LYS 23 -11.306 -4.407 -26.991 193 HB3 LYS 23 HB2 LYS 23 -12.790 -4.686 -27.929 194 HG2 LYS 23 HG1 LYS 23 -12.002 -2.106 -26.401 195 HG3 LYS 23 HG2 LYS 23 -11.687 -2.386 -28.127 196 HD2 LYS 23 HD1 LYS 23 -14.481 -2.040 -26.847 197 HD3 LYS 23 HD2 LYS 23 -13.526 -0.843 -27.738 198 HE2 LYS 23 HE1 LYS 23 -14.795 -1.412 -29.515 199 HE3 LYS 23 HE2 LYS 23 -13.592 -2.745 -29.710 200 HZ1 LYS 23 HZ1 LYS 23 -16.198 -2.885 -28.265 201 HZ2 LYS 23 HZ2 LYS 23 -15.138 -4.132 -28.354 202 HZ3 LYS 23 HZ3 LYS 23 -15.883 -3.575 -29.784 203 H CYS 24 HN CYS 24 -14.782 -3.999 -23.914 204 HA CYS 24 HA CYS 24 -17.113 -4.995 -25.172 205 HB2 CYS 24 HB1 CYS 24 -18.330 -3.942 -23.266 206 HB3 CYS 24 HB2 CYS 24 -16.939 -4.914 -22.739 Start of MODEL 14 1 H1 PHE 1 HN PHE 1 0.644 -1.749 -1.928 2 HA PHE 1 HA PHE 1 2.839 -0.839 -2.856 3 HB2 PHE 1 HB1 PHE 1 0.581 -1.546 -4.834 4 HB3 PHE 1 HB2 PHE 1 2.348 -1.609 -5.194 5 HD1 PHE 1 HD1 PHE 1 -0.449 -3.501 -4.061 6 HD2 PHE 1 HD2 PHE 1 3.791 -3.058 -3.522 7 HE1 PHE 1 HE1 PHE 1 -0.326 -5.794 -3.134 8 HE2 PHE 1 HE2 PHE 1 3.912 -5.350 -2.594 9 HZ PHE 1 HZ PHE 1 1.854 -6.719 -2.397 10 H LEU 2 HN LEU 2 1.941 1.402 -1.894 11 HA LEU 2 HA LEU 2 2.261 3.576 -2.122 12 HB2 LEU 2 HB1 LEU 2 3.599 2.586 -4.676 13 HB3 LEU 2 HB2 LEU 2 3.475 4.333 -4.396 14 HG LEU 2 HG LEU 2 4.631 4.034 -2.158 15 HD11 LEU 2 HD11 LEU 2 5.246 1.221 -3.275 16 HD12 LEU 2 HD12 LEU 2 4.372 1.599 -1.739 17 HD13 LEU 2 HD13 LEU 2 6.112 2.010 -1.907 18 HD21 LEU 2 HD21 LEU 2 5.752 4.907 -4.208 19 HD22 LEU 2 HD22 LEU 2 6.157 3.220 -4.710 20 HD23 LEU 2 HD23 LEU 2 6.882 3.915 -3.215 21 HA PRO 3 HA PRO 3 -1.009 5.596 -4.334 22 HB2 PRO 3 HB1 PRO 3 0.188 7.921 -5.557 23 HB3 PRO 3 HB2 PRO 3 -0.422 7.784 -3.866 24 HG2 PRO 3 HG1 PRO 3 2.436 7.318 -4.871 25 HG3 PRO 3 HG2 PRO 3 1.894 8.303 -3.447 26 HD2 PRO 3 HD1 PRO 3 2.809 5.808 -3.022 27 HD3 PRO 3 HD2 PRO 3 1.241 6.270 -2.232 28 H ILE 4 HN ILE 4 1.420 4.139 -6.077 29 HA ILE 4 HA ILE 4 0.653 4.564 -8.753 30 HB ILE 4 HB ILE 4 1.736 2.040 -7.416 31 HG12 ILE 4 HG11 ILE 4 3.258 3.857 -6.852 32 HG13 ILE 4 HG12 ILE 4 3.979 2.798 -8.085 33 HG21 ILE 4 HG21 ILE 4 1.736 3.000 -10.360 34 HG22 ILE 4 HG22 ILE 4 2.671 1.590 -9.733 35 HG23 ILE 4 HG23 ILE 4 0.877 1.565 -9.687 36 HD11 ILE 4 HD1 ILE 4 2.730 5.583 -8.620 37 HD12 ILE 4 HD2 ILE 4 4.479 5.170 -8.596 38 HD13 ILE 4 HD3 ILE 4 3.422 4.493 -9.883 39 H LEU 5 HN LEU 5 -0.646 2.357 -6.195 40 HA LEU 5 HA LEU 5 -2.540 1.081 -7.835 41 HB2 LEU 5 HB1 LEU 5 -2.672 1.853 -4.859 42 HB3 LEU 5 HB2 LEU 5 -3.820 0.732 -5.659 43 HG LEU 5 HG LEU 5 -0.801 0.273 -5.357 44 HD11 LEU 5 HD11 LEU 5 -1.494 -1.441 -3.669 45 HD12 LEU 5 HD12 LEU 5 -3.215 -0.940 -3.863 46 HD13 LEU 5 HD13 LEU 5 -2.004 0.215 -3.187 47 HD21 LEU 5 HD21 LEU 5 -3.040 -1.578 -6.414 48 HD22 LEU 5 HD22 LEU 5 -1.349 -2.085 -6.059 49 HD23 LEU 5 HD23 LEU 5 -1.666 -0.904 -7.377 50 H ALA 6 HN ALA 6 -2.801 4.146 -5.991 51 HA ALA 6 HA ALA 6 -5.499 4.644 -6.657 52 HB1 ALA 6 HB1 ALA 6 -3.248 6.592 -5.861 53 HB2 ALA 6 HB2 ALA 6 -5.018 6.948 -5.807 54 HB3 ALA 6 HB3 ALA 6 -4.317 5.698 -4.723 55 H SER 7 HN SER 7 -2.440 5.704 -8.272 56 HA SER 7 HA SER 7 -3.785 7.266 -10.207 57 HB2 SER 7 HB1 SER 7 -1.709 7.436 -11.438 58 HB3 SER 7 HB2 SER 7 -1.401 7.637 -9.674 59 HG SER 7 HG1 SER 7 0.131 6.247 -10.573 60 H LEU 8 HN LEU 8 -2.651 3.834 -10.375 61 HA LEU 8 HA LEU 8 -3.701 3.422 -12.960 62 HB2 LEU 8 HB1 LEU 8 -3.190 1.497 -10.639 63 HB3 LEU 8 HB2 LEU 8 -3.675 0.946 -12.277 64 HG LEU 8 HG LEU 8 -1.137 2.563 -11.660 65 HD11 LEU 8 HD11 LEU 8 0.073 0.412 -11.984 66 HD12 LEU 8 HD12 LEU 8 -1.497 -0.458 -12.177 67 HD13 LEU 8 HD13 LEU 8 -1.077 0.316 -10.601 68 HD21 LEU 8 HD21 LEU 8 -0.428 1.828 -13.956 69 HD22 LEU 8 HD22 LEU 8 -1.882 2.884 -14.019 70 HD23 LEU 8 HD23 LEU 8 -2.052 1.095 -14.222 71 H ALA 9 HN ALA 9 -5.290 2.733 -9.733 72 HA ALA 9 HA ALA 9 -7.579 1.654 -10.894 73 HB1 ALA 9 HB1 ALA 9 -7.232 3.069 -8.184 74 HB2 ALA 9 HB2 ALA 9 -8.599 1.971 -8.625 75 HB3 ALA 9 HB3 ALA 9 -6.920 1.335 -8.512 76 H ALA 10 HN ALA 10 -6.987 5.062 -9.866 77 HA ALA 10 HA ALA 10 -9.702 5.743 -10.600 78 HB1 ALA 10 HB1 ALA 10 -7.416 7.437 -9.445 79 HB2 ALA 10 HB2 ALA 10 -9.168 7.924 -9.554 80 HB3 ALA 10 HB3 ALA 10 -8.663 6.563 -8.501 81 H LYS 11 HN LYS 11 -7.294 5.205 -12.634 82 HA LYS 11 HA LYS 11 -8.506 7.140 -14.503 83 HB2 LYS 11 HB1 LYS 11 -5.479 6.636 -14.294 84 HB3 LYS 11 HB2 LYS 11 -6.280 7.352 -15.724 85 HG2 LYS 11 HG1 LYS 11 -5.689 9.302 -14.721 86 HG3 LYS 11 HG2 LYS 11 -7.300 9.076 -13.979 87 HD2 LYS 11 HD1 LYS 11 -5.849 7.832 -12.044 88 HD3 LYS 11 HD2 LYS 11 -4.487 8.667 -12.816 89 HE2 LYS 11 HE1 LYS 11 -5.171 10.121 -11.008 90 HE3 LYS 11 HE2 LYS 11 -5.848 10.890 -12.500 91 HZ1 LYS 11 HZ1 LYS 11 -7.685 10.850 -11.159 92 HZ2 LYS 11 HZ2 LYS 11 -7.200 9.459 -10.319 93 HZ3 LYS 11 HZ3 LYS 11 -7.858 9.306 -11.848 94 H PHE 12 HN PHE 12 -7.008 3.906 -13.998 95 HA PHE 12 HA PHE 12 -7.943 3.184 -16.694 96 HB2 PHE 12 HB1 PHE 12 -5.680 2.011 -14.964 97 HB3 PHE 12 HB2 PHE 12 -6.225 1.340 -16.540 98 HD1 PHE 12 HD1 PHE 12 -4.542 4.218 -14.887 99 HD2 PHE 12 HD2 PHE 12 -5.684 2.414 -18.614 100 HE1 PHE 12 HE1 PHE 12 -3.050 5.777 -16.095 101 HE2 PHE 12 HE2 PHE 12 -4.193 3.981 -19.827 102 HZ PHE 12 HZ PHE 12 -2.881 5.667 -18.568 103 H GLY 13 HN GLY 13 -8.824 2.700 -13.379 104 HA2 GLY 13 HA1 GLY 13 -9.422 0.094 -13.165 105 HA3 GLY 13 HA2 GLY 13 -10.453 1.416 -12.546 106 HA PRO 14 HA PRO 14 -13.546 -0.046 -15.288 107 HB2 PRO 14 HB1 PRO 14 -14.539 2.094 -16.837 108 HB3 PRO 14 HB2 PRO 14 -14.840 1.890 -15.074 109 HG2 PRO 14 HG1 PRO 14 -12.638 3.574 -16.387 110 HG3 PRO 14 HG2 PRO 14 -13.813 4.077 -15.097 111 HD2 PRO 14 HD1 PRO 14 -11.288 3.275 -14.417 112 HD3 PRO 14 HD2 PRO 14 -12.703 2.674 -13.443 113 H LYS 15 HN LYS 15 -10.843 1.459 -16.901 114 HA LYS 15 HA LYS 15 -11.417 0.381 -19.518 115 HB2 LYS 15 HB1 LYS 15 -8.703 1.212 -18.339 116 HB3 LYS 15 HB2 LYS 15 -9.065 0.897 -20.060 117 HG2 LYS 15 HG1 LYS 15 -10.602 2.853 -20.124 118 HG3 LYS 15 HG2 LYS 15 -10.297 3.168 -18.378 119 HD2 LYS 15 HD1 LYS 15 -7.849 3.510 -18.865 120 HD3 LYS 15 HD2 LYS 15 -8.133 3.129 -20.581 121 HE2 LYS 15 HE1 LYS 15 -7.865 5.571 -20.248 122 HE3 LYS 15 HE2 LYS 15 -9.520 5.187 -20.866 123 HZ1 LYS 15 HZ1 LYS 15 -8.849 5.621 -17.988 124 HZ2 LYS 15 HZ2 LYS 15 -10.376 5.407 -18.659 125 HZ3 LYS 15 HZ3 LYS 15 -9.475 6.801 -19.020 126 H LEU 16 HN LEU 16 -9.459 -0.623 -16.691 127 HA LEU 16 HA LEU 16 -8.484 -3.028 -17.691 128 HB2 LEU 16 HB1 LEU 16 -7.737 -1.670 -15.693 129 HB3 LEU 16 HB2 LEU 16 -9.142 -2.271 -14.776 130 HG LEU 16 HG LEU 16 -7.064 -4.157 -16.043 131 HD11 LEU 16 HD11 LEU 16 -6.938 -2.843 -13.255 132 HD12 LEU 16 HD12 LEU 16 -5.837 -2.496 -14.643 133 HD13 LEU 16 HD13 LEU 16 -5.835 -4.125 -13.873 134 HD21 LEU 16 HD21 LEU 16 -9.088 -5.340 -15.192 135 HD22 LEU 16 HD22 LEU 16 -8.956 -4.469 -13.616 136 HD23 LEU 16 HD23 LEU 16 -7.697 -5.657 -14.107 137 H PHE 17 HN PHE 17 -11.489 -2.378 -15.818 138 HA PHE 17 HA PHE 17 -12.465 -4.978 -15.749 139 HB2 PHE 17 HB1 PHE 17 -13.345 -2.942 -14.487 140 HB3 PHE 17 HB2 PHE 17 -14.047 -2.329 -16.025 141 HD1 PHE 17 HD1 PHE 17 -14.087 -5.242 -13.643 142 HD2 PHE 17 HD2 PHE 17 -16.192 -3.076 -16.697 143 HE1 PHE 17 HE1 PHE 17 -16.119 -6.583 -13.191 144 HE2 PHE 17 HE2 PHE 17 -18.228 -4.415 -16.244 145 HZ PHE 17 HZ PHE 17 -18.192 -6.170 -14.490 146 H CYS 18 HN CYS 18 -12.975 -2.494 -18.322 147 HA CYS 18 HA CYS 18 -14.395 -4.214 -20.041 148 HB2 CYS 18 HB1 CYS 18 -12.751 -1.677 -20.483 149 HB3 CYS 18 HB2 CYS 18 -13.480 -2.533 -21.876 150 H LEU 19 HN LEU 19 -10.863 -3.913 -19.618 151 HA LEU 19 HA LEU 19 -10.239 -5.320 -22.003 152 HB2 LEU 19 HB1 LEU 19 -8.655 -4.688 -19.481 153 HB3 LEU 19 HB2 LEU 19 -7.948 -5.629 -20.829 154 HG LEU 19 HG LEU 19 -9.116 -2.817 -21.195 155 HD11 LEU 19 HD11 LEU 19 -7.191 -2.749 -19.612 156 HD12 LEU 19 HD12 LEU 19 -6.744 -2.026 -21.205 157 HD13 LEU 19 HD13 LEU 19 -6.185 -3.687 -20.778 158 HD21 LEU 19 HD21 LEU 19 -7.296 -4.558 -22.979 159 HD22 LEU 19 HD22 LEU 19 -7.756 -2.850 -23.309 160 HD23 LEU 19 HD23 LEU 19 -9.017 -4.135 -23.315 161 H VAL 20 HN VAL 20 -11.282 -6.531 -18.863 162 HA VAL 20 HA VAL 20 -10.287 -9.130 -19.021 163 HB VAL 20 HB VAL 20 -12.984 -8.177 -17.933 164 HG11 VAL 20 HG11 VAL 20 -11.331 -10.748 -17.399 165 HG12 VAL 20 HG12 VAL 20 -12.773 -10.229 -16.453 166 HG13 VAL 20 HG13 VAL 20 -12.955 -10.674 -18.183 167 HG21 VAL 20 HG21 VAL 20 -11.733 -8.164 -15.729 168 HG22 VAL 20 HG22 VAL 20 -10.197 -8.485 -16.615 169 HG23 VAL 20 HG23 VAL 20 -11.100 -6.942 -16.879 170 H THR 21 HN THR 21 -13.216 -7.733 -20.552 171 HA THR 21 HA THR 21 -13.834 -10.238 -21.856 172 HB THR 21 HB THR 21 -15.183 -7.646 -22.646 173 HG1 THR 21 HG1 THR 21 -16.565 -8.097 -20.809 174 HG21 THR 21 HG21 THR 21 -17.185 -9.187 -22.632 175 HG22 THR 21 HG22 THR 21 -16.169 -10.515 -21.954 176 HG23 THR 21 HG23 THR 21 -15.875 -9.913 -23.626 177 H LYS 22 HN LYS 22 -11.284 -8.600 -22.481 178 HA LYS 22 HA LYS 22 -9.989 -8.032 -24.138 179 HB2 LYS 22 HB1 LYS 22 -10.810 -10.343 -24.979 180 HB3 LYS 22 HB2 LYS 22 -11.808 -9.414 -26.138 181 HG2 LYS 22 HG1 LYS 22 -9.488 -8.223 -26.742 182 HG3 LYS 22 HG2 LYS 22 -8.740 -9.637 -25.949 183 HD2 LYS 22 HD1 LYS 22 -10.719 -9.617 -28.322 184 HD3 LYS 22 HD2 LYS 22 -8.943 -9.837 -28.443 185 HE2 LYS 22 HE1 LYS 22 -9.118 -12.012 -27.166 186 HE3 LYS 22 HE2 LYS 22 -10.913 -11.803 -27.064 187 HZ1 LYS 22 HZ1 LYS 22 -10.995 -11.793 -29.473 188 HZ2 LYS 22 HZ2 LYS 22 -10.278 -13.220 -28.904 189 HZ3 LYS 22 HZ3 LYS 22 -9.318 -11.994 -29.576 190 H LYS 23 HN LYS 23 -11.770 -6.141 -23.336 191 HA LYS 23 HA LYS 23 -12.196 -4.023 -23.771 192 HB2 LYS 23 HB1 LYS 23 -10.545 -4.069 -25.672 193 HB3 LYS 23 HB2 LYS 23 -11.883 -4.392 -26.789 194 HG2 LYS 23 HG1 LYS 23 -11.624 -1.926 -24.930 195 HG3 LYS 23 HG2 LYS 23 -11.035 -1.987 -26.607 196 HD2 LYS 23 HD1 LYS 23 -13.994 -2.075 -25.733 197 HD3 LYS 23 HD2 LYS 23 -13.086 -0.730 -26.449 198 HE2 LYS 23 HE1 LYS 23 -14.068 -1.385 -28.389 199 HE3 LYS 23 HE2 LYS 23 -12.658 -2.510 -28.478 200 HZ1 LYS 23 HZ1 LYS 23 -14.117 -4.185 -27.380 201 HZ2 LYS 23 HZ2 LYS 23 -14.757 -3.673 -28.869 202 HZ3 LYS 23 HZ3 LYS 23 -15.365 -3.120 -27.379 203 H CYS 24 HN CYS 24 -14.249 -4.188 -22.942 204 HA CYS 24 HA CYS 24 -16.394 -5.339 -24.370 205 HB2 CYS 24 HB1 CYS 24 -17.813 -4.507 -22.526 206 HB3 CYS 24 HB2 CYS 24 -16.314 -5.249 -21.907 Start of MODEL 15 1 H1 PHE 1 HN PHE 1 1.787 -2.522 -2.475 2 HA PHE 1 HA PHE 1 -0.109 -0.900 -1.568 3 HB2 PHE 1 HB1 PHE 1 1.308 -0.430 0.457 4 HB3 PHE 1 HB2 PHE 1 1.365 -2.155 -0.029 5 HD1 PHE 1 HD1 PHE 1 3.258 1.027 0.108 6 HD2 PHE 1 HD2 PHE 1 3.420 -3.151 -0.874 7 HE1 PHE 1 HE1 PHE 1 5.731 1.142 0.028 8 HE2 PHE 1 HE2 PHE 1 5.892 -3.035 -0.960 9 HZ PHE 1 HZ PHE 1 7.050 -0.888 -0.511 10 H LEU 2 HN LEU 2 2.500 0.109 -3.482 11 HA LEU 2 HA LEU 2 2.841 2.724 -2.664 12 HB2 LEU 2 HB1 LEU 2 3.228 1.508 -5.462 13 HB3 LEU 2 HB2 LEU 2 3.758 3.156 -4.999 14 HG LEU 2 HG LEU 2 5.153 2.040 -3.125 15 HD11 LEU 2 HD11 LEU 2 4.710 -0.426 -4.939 16 HD12 LEU 2 HD12 LEU 2 4.341 -0.299 -3.171 17 HD13 LEU 2 HD13 LEU 2 6.036 -0.251 -3.732 18 HD21 LEU 2 HD21 LEU 2 7.042 1.713 -4.708 19 HD22 LEU 2 HD22 LEU 2 6.074 3.165 -5.153 20 HD23 LEU 2 HD23 LEU 2 5.891 1.631 -6.091 21 HA PRO 3 HA PRO 3 -0.845 4.685 -4.025 22 HB2 PRO 3 HB1 PRO 3 -0.083 7.383 -4.345 23 HB3 PRO 3 HB2 PRO 3 -0.198 6.558 -2.747 24 HG2 PRO 3 HG1 PRO 3 2.323 6.881 -4.472 25 HG3 PRO 3 HG2 PRO 3 2.105 7.314 -2.725 26 HD2 PRO 3 HD1 PRO 3 3.214 4.915 -3.413 27 HD3 PRO 3 HD2 PRO 3 1.969 4.970 -2.085 28 H ILE 4 HN ILE 4 1.728 4.354 -6.121 29 HA ILE 4 HA ILE 4 0.770 5.402 -8.556 30 HB ILE 4 HB ILE 4 2.435 2.896 -8.004 31 HG12 ILE 4 HG11 ILE 4 3.383 5.772 -8.569 32 HG13 ILE 4 HG12 ILE 4 3.387 5.013 -6.949 33 HG21 ILE 4 HG21 ILE 4 2.126 4.654 -10.541 34 HG22 ILE 4 HG22 ILE 4 3.280 3.281 -10.361 35 HG23 ILE 4 HG23 ILE 4 1.520 2.966 -10.347 36 HD11 ILE 4 HD1 ILE 4 5.043 4.070 -9.372 37 HD12 ILE 4 HD2 ILE 4 5.637 4.846 -7.865 38 HD13 ILE 4 HD3 ILE 4 4.927 3.194 -7.801 39 H LEU 5 HN LEU 5 0.075 2.313 -6.807 40 HA LEU 5 HA LEU 5 -1.427 1.126 -8.881 41 HB2 LEU 5 HB1 LEU 5 -1.368 0.750 -5.831 42 HB3 LEU 5 HB2 LEU 5 -2.452 -0.192 -6.896 43 HG LEU 5 HG LEU 5 -0.466 -1.068 -8.152 44 HD11 LEU 5 HD11 LEU 5 1.145 0.178 -5.832 45 HD12 LEU 5 HD12 LEU 5 1.336 0.557 -7.594 46 HD13 LEU 5 HD13 LEU 5 1.765 -1.072 -6.967 47 HD21 LEU 5 HD21 LEU 5 -1.661 -2.350 -6.367 48 HD22 LEU 5 HD22 LEU 5 -0.570 -1.635 -5.122 49 HD23 LEU 5 HD23 LEU 5 0.101 -2.733 -6.380 50 H ALA 6 HN ALA 6 -2.411 3.126 -6.063 51 HA ALA 6 HA ALA 6 -5.160 3.170 -6.665 52 HB1 ALA 6 HB1 ALA 6 -3.402 5.196 -5.143 53 HB2 ALA 6 HB2 ALA 6 -5.202 5.092 -5.051 54 HB3 ALA 6 HB3 ALA 6 -4.189 3.744 -4.431 55 H SER 7 HN SER 7 -2.525 5.463 -7.596 56 HA SER 7 HA SER 7 -4.261 7.268 -8.830 57 HB2 SER 7 HB1 SER 7 -2.398 8.474 -9.660 58 HB3 SER 7 HB2 SER 7 -1.941 7.817 -8.050 59 HG SER 7 HG1 SER 7 -0.253 7.387 -9.368 60 H LEU 8 HN LEU 8 -2.429 4.562 -10.297 61 HA LEU 8 HA LEU 8 -3.478 4.843 -12.897 62 HB2 LEU 8 HB1 LEU 8 -2.353 2.433 -11.383 63 HB3 LEU 8 HB2 LEU 8 -2.802 2.366 -13.118 64 HG LEU 8 HG LEU 8 -0.689 4.250 -11.931 65 HD11 LEU 8 HD11 LEU 8 0.965 2.714 -12.982 66 HD12 LEU 8 HD12 LEU 8 -0.367 1.619 -13.513 67 HD13 LEU 8 HD13 LEU 8 -0.035 1.852 -11.755 68 HD21 LEU 8 HD21 LEU 8 -1.416 3.589 -14.862 69 HD22 LEU 8 HD22 LEU 8 0.002 4.561 -14.327 70 HD23 LEU 8 HD23 LEU 8 -1.660 5.181 -14.034 71 H ALA 9 HN ALA 9 -4.722 2.853 -10.109 72 HA ALA 9 HA ALA 9 -6.793 1.643 -11.494 73 HB1 ALA 9 HB1 ALA 9 -6.081 1.009 -9.184 74 HB2 ALA 9 HB2 ALA 9 -6.690 2.577 -8.559 75 HB3 ALA 9 HB3 ALA 9 -7.844 1.358 -9.224 76 H ALA 10 HN ALA 10 -6.761 4.818 -9.834 77 HA ALA 10 HA ALA 10 -9.378 5.525 -10.738 78 HB1 ALA 10 HB1 ALA 10 -7.069 7.182 -9.561 79 HB2 ALA 10 HB2 ALA 10 -8.788 7.747 -9.735 80 HB3 ALA 10 HB3 ALA 10 -8.381 6.384 -8.641 81 H LYS 11 HN LYS 11 -7.140 4.880 -12.863 82 HA LYS 11 HA LYS 11 -8.303 6.913 -14.672 83 HB2 LYS 11 HB1 LYS 11 -5.573 5.573 -15.162 84 HB3 LYS 11 HB2 LYS 11 -6.336 6.844 -16.166 85 HG2 LYS 11 HG1 LYS 11 -5.208 7.082 -13.339 86 HG3 LYS 11 HG2 LYS 11 -4.379 7.628 -14.814 87 HD2 LYS 11 HD1 LYS 11 -5.780 9.499 -15.143 88 HD3 LYS 11 HD2 LYS 11 -7.128 8.827 -14.191 89 HE2 LYS 11 HE1 LYS 11 -4.460 9.825 -12.975 90 HE3 LYS 11 HE2 LYS 11 -6.038 10.717 -12.989 91 HZ1 LYS 11 HZ1 LYS 11 -5.406 8.149 -11.627 92 HZ2 LYS 11 HZ2 LYS 11 -6.968 8.686 -11.882 93 HZ3 LYS 11 HZ3 LYS 11 -5.911 9.609 -10.921 94 H PHE 12 HN PHE 12 -7.087 3.596 -14.129 95 HA PHE 12 HA PHE 12 -8.235 2.727 -16.677 96 HB2 PHE 12 HB1 PHE 12 -6.041 1.615 -14.827 97 HB3 PHE 12 HB2 PHE 12 -6.668 0.712 -16.254 98 HD1 PHE 12 HD1 PHE 12 -4.361 3.285 -15.185 99 HD2 PHE 12 HD2 PHE 12 -6.586 1.768 -18.529 100 HE1 PHE 12 HE1 PHE 12 -2.871 4.514 -16.731 101 HE2 PHE 12 HE2 PHE 12 -5.090 2.997 -20.080 102 HZ PHE 12 HZ PHE 12 -3.239 4.377 -19.179 103 H GLY 13 HN GLY 13 -9.236 2.486 -13.369 104 HA2 GLY 13 HA1 GLY 13 -9.910 -0.055 -12.987 105 HA3 GLY 13 HA2 GLY 13 -10.962 1.312 -12.527 106 HA PRO 14 HA PRO 14 -13.901 -0.463 -15.283 107 HB2 PRO 14 HB1 PRO 14 -14.993 1.559 -16.899 108 HB3 PRO 14 HB2 PRO 14 -15.274 1.438 -15.124 109 HG2 PRO 14 HG1 PRO 14 -13.151 3.138 -16.545 110 HG3 PRO 14 HG2 PRO 14 -14.347 3.667 -15.285 111 HD2 PRO 14 HD1 PRO 14 -11.781 3.001 -14.570 112 HD3 PRO 14 HD2 PRO 14 -13.178 2.430 -13.550 113 H LYS 15 HN LYS 15 -11.257 1.155 -16.847 114 HA LYS 15 HA LYS 15 -11.698 0.093 -19.482 115 HB2 LYS 15 HB1 LYS 15 -9.070 1.052 -18.221 116 HB3 LYS 15 HB2 LYS 15 -9.369 0.746 -19.958 117 HG2 LYS 15 HG1 LYS 15 -11.072 2.576 -20.002 118 HG3 LYS 15 HG2 LYS 15 -10.768 2.904 -18.259 119 HD2 LYS 15 HD1 LYS 15 -8.354 3.432 -18.791 120 HD3 LYS 15 HD2 LYS 15 -8.653 3.051 -20.507 121 HE2 LYS 15 HE1 LYS 15 -8.578 5.504 -20.144 122 HE3 LYS 15 HE2 LYS 15 -10.220 4.997 -20.711 123 HZ1 LYS 15 HZ1 LYS 15 -11.024 5.130 -18.495 124 HZ2 LYS 15 HZ2 LYS 15 -10.195 6.580 -18.810 125 HZ3 LYS 15 HZ3 LYS 15 -9.490 5.378 -17.847 126 H LEU 16 HN LEU 16 -9.888 -0.965 -16.593 127 HA LEU 16 HA LEU 16 -8.690 -3.239 -17.629 128 HB2 LEU 16 HB1 LEU 16 -8.218 -2.028 -15.482 129 HB3 LEU 16 HB2 LEU 16 -9.700 -2.708 -14.766 130 HG LEU 16 HG LEU 16 -7.502 -4.521 -15.918 131 HD11 LEU 16 HD11 LEU 16 -7.551 -3.282 -13.094 132 HD12 LEU 16 HD12 LEU 16 -6.362 -2.905 -14.399 133 HD13 LEU 16 HD13 LEU 16 -6.414 -4.553 -13.673 134 HD21 LEU 16 HD21 LEU 16 -8.265 -6.081 -14.087 135 HD22 LEU 16 HD22 LEU 16 -9.605 -5.697 -15.219 136 HD23 LEU 16 HD23 LEU 16 -9.526 -4.891 -13.606 137 H PHE 17 HN PHE 17 -11.946 -2.890 -16.121 138 HA PHE 17 HA PHE 17 -12.730 -5.566 -16.372 139 HB2 PHE 17 HB1 PHE 17 -13.951 -3.785 -15.046 140 HB3 PHE 17 HB2 PHE 17 -14.435 -2.989 -16.585 141 HD1 PHE 17 HD1 PHE 17 -14.753 -6.125 -14.554 142 HD2 PHE 17 HD2 PHE 17 -16.293 -3.821 -17.838 143 HE1 PHE 17 HE1 PHE 17 -16.708 -7.640 -14.702 144 HE2 PHE 17 HE2 PHE 17 -18.243 -5.341 -17.991 145 HZ PHE 17 HZ PHE 17 -18.451 -7.252 -16.425 146 H CYS 18 HN CYS 18 -13.062 -2.864 -18.741 147 HA CYS 18 HA CYS 18 -14.118 -4.506 -20.773 148 HB2 CYS 18 HB1 CYS 18 -12.661 -1.822 -20.937 149 HB3 CYS 18 HB2 CYS 18 -13.427 -2.624 -22.350 150 H LEU 19 HN LEU 19 -10.657 -3.842 -20.054 151 HA LEU 19 HA LEU 19 -9.684 -5.285 -22.276 152 HB2 LEU 19 HB1 LEU 19 -8.500 -4.808 -19.492 153 HB3 LEU 19 HB2 LEU 19 -7.592 -5.592 -20.822 154 HG LEU 19 HG LEU 19 -8.755 -2.756 -21.003 155 HD11 LEU 19 HD11 LEU 19 -6.413 -1.975 -20.639 156 HD12 LEU 19 HD12 LEU 19 -5.881 -3.674 -20.364 157 HD13 LEU 19 HD13 LEU 19 -7.024 -2.891 -19.209 158 HD21 LEU 19 HD21 LEU 19 -8.400 -3.802 -23.240 159 HD22 LEU 19 HD22 LEU 19 -6.722 -4.270 -22.766 160 HD23 LEU 19 HD23 LEU 19 -7.163 -2.533 -22.932 161 H VAL 20 HN VAL 20 -10.510 -6.463 -18.972 162 HA VAL 20 HA VAL 20 -9.886 -9.155 -19.389 163 HB VAL 20 HB VAL 20 -11.903 -7.768 -17.583 164 HG11 VAL 20 HG11 VAL 20 -12.743 -10.100 -17.859 165 HG12 VAL 20 HG12 VAL 20 -11.073 -10.756 -17.610 166 HG13 VAL 20 HG13 VAL 20 -11.940 -9.932 -16.266 167 HG21 VAL 20 HG21 VAL 20 -10.169 -8.270 -15.850 168 HG22 VAL 20 HG22 VAL 20 -9.146 -9.099 -17.077 169 HG23 VAL 20 HG23 VAL 20 -9.428 -7.324 -17.185 170 H THR 21 HN THR 21 -12.764 -7.324 -20.247 171 HA THR 21 HA THR 21 -14.183 -9.643 -21.275 172 HB THR 21 HB THR 21 -14.995 -6.705 -21.449 173 HG1 THR 21 HG1 THR 21 -14.728 -7.122 -19.307 174 HG21 THR 21 HG21 THR 21 -17.315 -7.736 -21.307 175 HG22 THR 21 HG22 THR 21 -16.580 -9.375 -21.375 176 HG23 THR 21 HG23 THR 21 -16.462 -8.264 -22.796 177 H LYS 22 HN LYS 22 -11.667 -7.880 -22.522 178 HA LYS 22 HA LYS 22 -10.786 -7.552 -24.474 179 HB2 LYS 22 HB1 LYS 22 -12.611 -9.750 -25.529 180 HB3 LYS 22 HB2 LYS 22 -11.245 -9.019 -26.416 181 HG2 LYS 22 HG1 LYS 22 -10.214 -10.905 -25.615 182 HG3 LYS 22 HG2 LYS 22 -9.757 -9.690 -24.378 183 HD2 LYS 22 HD1 LYS 22 -11.809 -10.532 -23.031 184 HD3 LYS 22 HD2 LYS 22 -11.942 -11.869 -24.207 185 HE2 LYS 22 HE1 LYS 22 -9.728 -12.763 -23.499 186 HE3 LYS 22 HE2 LYS 22 -9.390 -11.252 -22.545 187 HZ1 LYS 22 HZ1 LYS 22 -11.263 -11.725 -21.180 188 HZ2 LYS 22 HZ2 LYS 22 -10.168 -13.015 -21.102 189 HZ3 LYS 22 HZ3 LYS 22 -11.610 -13.157 -22.004 190 H LYS 23 HN LYS 23 -12.302 -5.539 -23.975 191 HA LYS 23 HA LYS 23 -12.660 -3.616 -25.027 192 HB2 LYS 23 HB1 LYS 23 -11.410 -4.488 -27.050 193 HB3 LYS 23 HB2 LYS 23 -12.982 -5.022 -27.690 194 HG2 LYS 23 HG1 LYS 23 -13.643 -2.405 -27.303 195 HG3 LYS 23 HG2 LYS 23 -11.869 -2.197 -27.336 196 HD2 LYS 23 HD1 LYS 23 -12.671 -1.850 -29.582 197 HD3 LYS 23 HD2 LYS 23 -11.863 -3.456 -29.577 198 HE2 LYS 23 HE1 LYS 23 -14.164 -4.568 -29.390 199 HE3 LYS 23 HE2 LYS 23 -14.926 -2.933 -29.418 200 HZ1 LYS 23 HZ1 LYS 23 -13.240 -4.129 -31.569 201 HZ2 LYS 23 HZ2 LYS 23 -13.957 -2.592 -31.612 202 HZ3 LYS 23 HZ3 LYS 23 -14.927 -3.983 -31.579 203 H CYS 24 HN CYS 24 -14.588 -4.386 -23.499 204 HA CYS 24 HA CYS 24 -17.099 -4.543 -24.856 205 HB2 CYS 24 HB1 CYS 24 -18.180 -4.205 -22.719 206 HB3 CYS 24 HB2 CYS 24 -16.844 -5.370 -22.534 Start of MODEL 16 1 H1 PHE 1 HN PHE 1 6.569 4.434 -0.833 2 HA PHE 1 HA PHE 1 4.895 2.493 0.155 3 HB2 PHE 1 HB1 PHE 1 4.037 4.363 1.640 4 HB3 PHE 1 HB2 PHE 1 3.643 5.328 0.178 5 HD1 PHE 1 HD1 PHE 1 3.036 1.841 1.561 6 HD2 PHE 1 HD2 PHE 1 1.392 5.261 -0.455 7 HE1 PHE 1 HE1 PHE 1 0.842 0.706 1.423 8 HE2 PHE 1 HE2 PHE 1 -0.806 4.124 -0.590 9 HZ PHE 1 HZ PHE 1 -1.078 1.840 0.342 10 H LEU 2 HN LEU 2 2.879 2.315 -1.470 11 HA LEU 2 HA LEU 2 3.910 3.023 -4.156 12 HB2 LEU 2 HB1 LEU 2 2.218 0.632 -3.293 13 HB3 LEU 2 HB2 LEU 2 2.742 0.985 -4.972 14 HG LEU 2 HG LEU 2 4.618 0.373 -2.616 15 HD11 LEU 2 HD11 LEU 2 3.246 -1.593 -3.305 16 HD12 LEU 2 HD12 LEU 2 4.978 -1.805 -3.753 17 HD13 LEU 2 HD13 LEU 2 3.771 -1.366 -5.018 18 HD21 LEU 2 HD21 LEU 2 5.215 0.736 -5.626 19 HD22 LEU 2 HD22 LEU 2 6.378 0.136 -4.388 20 HD23 LEU 2 HD23 LEU 2 5.764 1.819 -4.284 21 HA PRO 3 HA PRO 3 -0.395 4.836 -3.857 22 HB2 PRO 3 HB1 PRO 3 0.101 7.507 -4.479 23 HB3 PRO 3 HB2 PRO 3 0.345 6.859 -2.814 24 HG2 PRO 3 HG1 PRO 3 2.490 7.154 -5.000 25 HG3 PRO 3 HG2 PRO 3 2.539 7.791 -3.304 26 HD2 PRO 3 HD1 PRO 3 3.701 5.379 -3.946 27 HD3 PRO 3 HD2 PRO 3 2.792 5.580 -2.388 28 H ILE 4 HN ILE 4 2.096 4.488 -6.130 29 HA ILE 4 HA ILE 4 0.933 5.303 -8.520 30 HB ILE 4 HB ILE 4 2.695 2.839 -8.080 31 HG12 ILE 4 HG11 ILE 4 4.422 4.710 -8.995 32 HG13 ILE 4 HG12 ILE 4 3.361 5.811 -8.080 33 HG21 ILE 4 HG21 ILE 4 1.638 2.949 -10.352 34 HG22 ILE 4 HG22 ILE 4 2.190 4.660 -10.536 35 HG23 ILE 4 HG23 ILE 4 3.389 3.320 -10.449 36 HD11 ILE 4 HD1 ILE 4 5.347 4.975 -6.746 37 HD12 ILE 4 HD2 ILE 4 3.821 4.429 -5.978 38 HD13 ILE 4 HD3 ILE 4 4.797 3.282 -6.969 39 H LEU 5 HN LEU 5 0.455 2.266 -6.623 40 HA LEU 5 HA LEU 5 -1.078 0.928 -8.561 41 HB2 LEU 5 HB1 LEU 5 -1.121 0.725 -5.494 42 HB3 LEU 5 HB2 LEU 5 -1.834 -0.479 -6.613 43 HG LEU 5 HG LEU 5 1.153 0.240 -6.433 44 HD11 LEU 5 HD11 LEU 5 -0.396 -2.220 -5.408 45 HD12 LEU 5 HD12 LEU 5 0.321 -0.913 -4.393 46 HD13 LEU 5 HD13 LEU 5 1.391 -1.994 -5.358 47 HD21 LEU 5 HD21 LEU 5 1.486 -1.824 -7.823 48 HD22 LEU 5 HD22 LEU 5 0.574 -0.563 -8.726 49 HD23 LEU 5 HD23 LEU 5 -0.295 -1.980 -8.017 50 H ALA 6 HN ALA 6 -2.147 3.005 -5.812 51 HA ALA 6 HA ALA 6 -4.899 2.849 -6.381 52 HB1 ALA 6 HB1 ALA 6 -5.036 4.876 -4.900 53 HB2 ALA 6 HB2 ALA 6 -3.951 3.628 -4.200 54 HB3 ALA 6 HB3 ALA 6 -3.245 5.069 -5.016 55 H SER 7 HN SER 7 -2.408 5.170 -7.449 56 HA SER 7 HA SER 7 -4.082 6.859 -8.911 57 HB2 SER 7 HB1 SER 7 -1.690 7.320 -8.229 58 HB3 SER 7 HB2 SER 7 -1.138 6.204 -9.512 59 HG SER 7 HG1 SER 7 -1.151 8.435 -10.085 60 H LEU 8 HN LEU 8 -2.291 3.924 -10.067 61 HA LEU 8 HA LEU 8 -3.322 4.025 -12.698 62 HB2 LEU 8 HB1 LEU 8 -2.244 1.739 -10.968 63 HB3 LEU 8 HB2 LEU 8 -2.718 1.512 -12.680 64 HG LEU 8 HG LEU 8 -0.548 3.469 -11.741 65 HD11 LEU 8 HD11 LEU 8 1.064 1.776 -12.611 66 HD12 LEU 8 HD12 LEU 8 -0.296 0.647 -12.962 67 HD13 LEU 8 HD13 LEU 8 0.077 1.109 -11.259 68 HD21 LEU 8 HD21 LEU 8 0.117 3.456 -14.166 69 HD22 LEU 8 HD22 LEU 8 -1.533 4.139 -13.938 70 HD23 LEU 8 HD23 LEU 8 -1.325 2.451 -14.553 71 H ALA 9 HN ALA 9 -4.528 2.222 -9.767 72 HA ALA 9 HA ALA 9 -6.536 0.870 -11.073 73 HB1 ALA 9 HB1 ALA 9 -7.512 0.577 -8.775 74 HB2 ALA 9 HB2 ALA 9 -5.725 0.371 -8.762 75 HB3 ALA 9 HB3 ALA 9 -6.448 1.906 -8.174 76 H ALA 10 HN ALA 10 -6.797 4.084 -9.465 77 HA ALA 10 HA ALA 10 -9.483 4.540 -9.982 78 HB1 ALA 10 HB1 ALA 10 -7.128 6.524 -9.832 79 HB2 ALA 10 HB2 ALA 10 -8.878 6.955 -9.632 80 HB3 ALA 10 HB3 ALA 10 -8.064 5.888 -8.436 81 H LYS 11 HN LYS 11 -6.724 4.933 -12.181 82 HA LYS 11 HA LYS 11 -8.490 6.209 -14.178 83 HB2 LYS 11 HB1 LYS 11 -5.455 6.078 -13.892 84 HB3 LYS 11 HB2 LYS 11 -6.294 6.766 -15.331 85 HG2 LYS 11 HG1 LYS 11 -7.521 8.371 -13.908 86 HG3 LYS 11 HG2 LYS 11 -6.704 7.784 -12.445 87 HD2 LYS 11 HD1 LYS 11 -5.299 9.040 -14.909 88 HD3 LYS 11 HD2 LYS 11 -5.818 9.966 -13.479 89 HE2 LYS 11 HE1 LYS 11 -3.656 7.750 -13.511 90 HE3 LYS 11 HE2 LYS 11 -3.396 9.533 -13.344 91 HZ1 LYS 11 HZ1 LYS 11 -3.350 8.540 -11.194 92 HZ2 LYS 11 HZ2 LYS 11 -4.726 7.670 -11.480 93 HZ3 LYS 11 HZ3 LYS 11 -4.839 9.361 -11.288 94 H PHE 12 HN PHE 12 -7.812 3.097 -13.437 95 HA PHE 12 HA PHE 12 -8.129 2.299 -16.265 96 HB2 PHE 12 HB1 PHE 12 -5.997 1.288 -14.307 97 HB3 PHE 12 HB2 PHE 12 -6.637 0.193 -15.570 98 HD1 PHE 12 HD1 PHE 12 -4.803 3.407 -15.062 99 HD2 PHE 12 HD2 PHE 12 -6.047 0.369 -17.822 100 HE1 PHE 12 HE1 PHE 12 -3.248 4.319 -16.761 101 HE2 PHE 12 HE2 PHE 12 -4.482 1.266 -19.521 102 HZ PHE 12 HZ PHE 12 -3.085 3.250 -18.994 103 H GLY 13 HN GLY 13 -9.232 1.739 -12.956 104 HA2 GLY 13 HA1 GLY 13 -10.052 -0.785 -12.975 105 HA3 GLY 13 HA2 GLY 13 -11.013 0.564 -12.306 106 HA PRO 14 HA PRO 14 -14.125 -0.538 -15.201 107 HB2 PRO 14 HB1 PRO 14 -14.946 1.749 -16.636 108 HB3 PRO 14 HB2 PRO 14 -15.304 1.466 -14.893 109 HG2 PRO 14 HG1 PRO 14 -12.977 3.086 -16.066 110 HG3 PRO 14 HG2 PRO 14 -14.141 3.581 -14.768 111 HD2 PRO 14 HD1 PRO 14 -11.676 2.587 -14.113 112 HD3 PRO 14 HD2 PRO 14 -13.139 2.043 -13.176 113 H LYS 15 HN LYS 15 -11.445 1.135 -16.717 114 HA LYS 15 HA LYS 15 -11.880 0.214 -19.381 115 HB2 LYS 15 HB1 LYS 15 -9.357 1.089 -17.892 116 HB3 LYS 15 HB2 LYS 15 -9.376 0.697 -19.642 117 HG2 LYS 15 HG1 LYS 15 -10.644 2.602 -20.222 118 HG3 LYS 15 HG2 LYS 15 -11.323 2.798 -18.585 119 HD2 LYS 15 HD1 LYS 15 -9.662 4.576 -19.109 120 HD3 LYS 15 HD2 LYS 15 -9.275 3.602 -17.659 121 HE2 LYS 15 HE1 LYS 15 -7.596 2.255 -19.060 122 HE3 LYS 15 HE2 LYS 15 -7.900 3.388 -20.434 123 HZ1 LYS 15 HZ1 LYS 15 -7.138 4.329 -17.728 124 HZ2 LYS 15 HZ2 LYS 15 -6.992 5.152 -19.193 125 HZ3 LYS 15 HZ3 LYS 15 -5.970 3.831 -18.826 126 H LEU 16 HN LEU 16 -10.127 -1.194 -16.579 127 HA LEU 16 HA LEU 16 -9.045 -3.392 -17.907 128 HB2 LEU 16 HB1 LEU 16 -8.390 -2.569 -15.629 129 HB3 LEU 16 HB2 LEU 16 -9.972 -3.098 -14.993 130 HG LEU 16 HG LEU 16 -9.394 -5.479 -15.527 131 HD11 LEU 16 HD11 LEU 16 -7.022 -6.079 -16.094 132 HD12 LEU 16 HD12 LEU 16 -6.647 -4.339 -16.365 133 HD13 LEU 16 HD13 LEU 16 -7.826 -5.198 -17.436 134 HD21 LEU 16 HD21 LEU 16 -8.918 -4.518 -13.278 135 HD22 LEU 16 HD22 LEU 16 -7.277 -4.011 -13.833 136 HD23 LEU 16 HD23 LEU 16 -7.697 -5.761 -13.735 137 H PHE 17 HN PHE 17 -12.242 -3.057 -16.286 138 HA PHE 17 HA PHE 17 -13.161 -5.656 -16.807 139 HB2 PHE 17 HB1 PHE 17 -14.263 -4.022 -15.231 140 HB3 PHE 17 HB2 PHE 17 -14.719 -2.987 -16.631 141 HD1 PHE 17 HD1 PHE 17 -15.124 -6.456 -15.212 142 HD2 PHE 17 HD2 PHE 17 -16.729 -3.415 -17.786 143 HE1 PHE 17 HE1 PHE 17 -17.172 -7.812 -15.537 144 HE2 PHE 17 HE2 PHE 17 -18.779 -4.770 -18.110 145 HZ PHE 17 HZ PHE 17 -18.998 -6.971 -16.990 146 H CYS 18 HN CYS 18 -13.410 -2.678 -18.831 147 HA CYS 18 HA CYS 18 -14.615 -3.952 -21.021 148 HB2 CYS 18 HB1 CYS 18 -12.812 -1.479 -20.943 149 HB3 CYS 18 HB2 CYS 18 -13.721 -2.016 -22.393 150 H LEU 19 HN LEU 19 -11.079 -3.614 -20.337 151 HA LEU 19 HA LEU 19 -10.242 -4.791 -22.746 152 HB2 LEU 19 HB1 LEU 19 -8.972 -4.705 -19.963 153 HB3 LEU 19 HB2 LEU 19 -8.122 -5.392 -21.381 154 HG LEU 19 HG LEU 19 -9.153 -2.504 -21.284 155 HD11 LEU 19 HD11 LEU 19 -7.451 -2.871 -19.499 156 HD12 LEU 19 HD12 LEU 19 -6.778 -1.861 -20.836 157 HD13 LEU 19 HD13 LEU 19 -6.329 -3.603 -20.706 158 HD21 LEU 19 HD21 LEU 19 -7.164 -3.937 -23.161 159 HD22 LEU 19 HD22 LEU 19 -7.539 -2.175 -23.180 160 HD23 LEU 19 HD23 LEU 19 -8.819 -3.369 -23.601 161 H VAL 20 HN VAL 20 -10.967 -6.411 -19.603 162 HA VAL 20 HA VAL 20 -10.451 -9.033 -20.474 163 HB VAL 20 HB VAL 20 -12.346 -7.919 -18.357 164 HG11 VAL 20 HG11 VAL 20 -12.267 -10.271 -17.388 165 HG12 VAL 20 HG12 VAL 20 -13.154 -10.207 -18.946 166 HG13 VAL 20 HG13 VAL 20 -11.465 -10.843 -18.896 167 HG21 VAL 20 HG21 VAL 20 -10.508 -8.652 -16.808 168 HG22 VAL 20 HG22 VAL 20 -9.537 -9.224 -18.212 169 HG23 VAL 20 HG23 VAL 20 -9.874 -7.467 -18.002 170 H THR 21 HN THR 21 -13.374 -7.036 -20.717 171 HA THR 21 HA THR 21 -14.836 -9.155 -22.071 172 HB THR 21 HB THR 21 -15.833 -6.314 -21.701 173 HG1 THR 21 HG1 THR 21 -15.255 -6.932 -19.673 174 HG21 THR 21 HG21 THR 21 -17.282 -7.935 -23.059 175 HG22 THR 21 HG22 THR 21 -18.029 -7.549 -21.469 176 HG23 THR 21 HG23 THR 21 -17.181 -9.117 -21.697 177 H LYS 22 HN LYS 22 -12.388 -7.773 -23.284 178 HA LYS 22 HA LYS 22 -11.619 -7.305 -25.273 179 HB2 LYS 22 HB1 LYS 22 -12.938 -9.524 -25.497 180 HB3 LYS 22 HB2 LYS 22 -14.111 -8.575 -26.459 181 HG2 LYS 22 HG1 LYS 22 -12.062 -7.888 -27.943 182 HG3 LYS 22 HG2 LYS 22 -11.132 -9.147 -27.078 183 HD2 LYS 22 HD1 LYS 22 -13.725 -9.521 -28.713 184 HD3 LYS 22 HD2 LYS 22 -12.066 -9.898 -29.285 185 HE2 LYS 22 HE1 LYS 22 -11.854 -11.686 -27.510 186 HE3 LYS 22 HE2 LYS 22 -13.536 -11.324 -26.949 187 HZ1 LYS 22 HZ1 LYS 22 -14.334 -11.883 -29.153 188 HZ2 LYS 22 HZ2 LYS 22 -13.484 -13.182 -28.470 189 HZ3 LYS 22 HZ3 LYS 22 -12.763 -12.237 -29.679 190 H LYS 23 HN LYS 23 -12.882 -5.124 -24.261 191 HA LYS 23 HA LYS 23 -12.821 -2.973 -24.970 192 HB2 LYS 23 HB1 LYS 23 -14.302 -3.762 -27.526 193 HB3 LYS 23 HB2 LYS 23 -13.941 -2.088 -27.026 194 HG2 LYS 23 HG1 LYS 23 -11.504 -2.482 -27.242 195 HG3 LYS 23 HG2 LYS 23 -11.816 -4.191 -27.711 196 HD2 LYS 23 HD1 LYS 23 -13.218 -3.407 -29.635 197 HD3 LYS 23 HD2 LYS 23 -12.861 -1.703 -29.204 198 HE2 LYS 23 HE1 LYS 23 -10.408 -2.094 -29.682 199 HE3 LYS 23 HE2 LYS 23 -10.772 -3.818 -30.100 200 HZ1 LYS 23 HZ1 LYS 23 -11.878 -1.411 -31.476 201 HZ2 LYS 23 HZ2 LYS 23 -12.224 -3.020 -31.861 202 HZ3 LYS 23 HZ3 LYS 23 -10.653 -2.422 -32.065 203 H CYS 24 HN CYS 24 -15.262 -5.163 -24.324 204 HA CYS 24 HA CYS 24 -17.393 -5.118 -23.879 205 HB2 CYS 24 HB1 CYS 24 -18.222 -3.747 -22.056 206 HB3 CYS 24 HB2 CYS 24 -16.598 -4.384 -21.715 Start of MODEL 17 1 H1 PHE 1 HN PHE 1 0.617 2.884 0.992 2 HA PHE 1 HA PHE 1 3.345 3.431 0.180 3 HB2 PHE 1 HB1 PHE 1 3.810 0.923 0.084 4 HB3 PHE 1 HB2 PHE 1 3.530 1.569 1.737 5 HD1 PHE 1 HD1 PHE 1 2.009 -0.431 -1.022 6 HD2 PHE 1 HD2 PHE 1 1.632 0.919 3.038 7 HE1 PHE 1 HE1 PHE 1 0.218 -2.096 -0.634 8 HE2 PHE 1 HE2 PHE 1 -0.158 -0.745 3.426 9 HZ PHE 1 HZ PHE 1 -0.869 -2.254 1.591 10 H LEU 2 HN LEU 2 3.959 2.570 -1.914 11 HA LEU 2 HA LEU 2 3.681 2.680 -4.122 12 HB2 LEU 2 HB1 LEU 2 1.633 0.533 -3.464 13 HB3 LEU 2 HB2 LEU 2 2.422 0.739 -5.060 14 HG LEU 2 HG LEU 2 3.882 0.072 -2.435 15 HD11 LEU 2 HD11 LEU 2 2.392 -1.769 -3.197 16 HD12 LEU 2 HD12 LEU 2 4.128 -2.203 -3.396 17 HD13 LEU 2 HD13 LEU 2 3.150 -1.721 -4.833 18 HD21 LEU 2 HD21 LEU 2 5.399 1.271 -4.025 19 HD22 LEU 2 HD22 LEU 2 4.904 0.146 -5.352 20 HD23 LEU 2 HD23 LEU 2 5.819 -0.473 -3.932 21 HA PRO 3 HA PRO 3 -0.416 4.943 -4.227 22 HB2 PRO 3 HB1 PRO 3 0.373 7.593 -4.722 23 HB3 PRO 3 HB2 PRO 3 0.402 6.852 -3.078 24 HG2 PRO 3 HG1 PRO 3 2.752 7.013 -5.055 25 HG3 PRO 3 HG2 PRO 3 2.708 7.574 -3.331 26 HD2 PRO 3 HD1 PRO 3 3.694 5.090 -3.942 27 HD3 PRO 3 HD2 PRO 3 2.587 5.300 -2.509 28 H ILE 4 HN ILE 4 2.096 4.502 -6.423 29 HA ILE 4 HA ILE 4 0.997 5.438 -8.838 30 HB ILE 4 HB ILE 4 2.672 2.930 -8.359 31 HG12 ILE 4 HG11 ILE 4 3.866 4.776 -7.304 32 HG13 ILE 4 HG12 ILE 4 4.656 4.316 -8.830 33 HG21 ILE 4 HG21 ILE 4 1.703 2.993 -10.644 34 HG22 ILE 4 HG22 ILE 4 2.241 4.700 -10.863 35 HG23 ILE 4 HG23 ILE 4 3.454 3.377 -10.723 36 HD11 ILE 4 HD1 ILE 4 2.848 6.800 -8.428 37 HD12 ILE 4 HD2 ILE 4 4.636 6.778 -8.584 38 HD13 ILE 4 HD3 ILE 4 3.618 6.312 -9.988 39 H LEU 5 HN LEU 5 0.395 2.431 -6.944 40 HA LEU 5 HA LEU 5 -1.182 1.143 -8.891 41 HB2 LEU 5 HB1 LEU 5 -0.087 0.020 -6.942 42 HB3 LEU 5 HB2 LEU 5 -1.132 0.933 -5.823 43 HG LEU 5 HG LEU 5 -3.150 -0.235 -6.754 44 HD11 LEU 5 HD11 LEU 5 -2.836 -2.263 -8.203 45 HD12 LEU 5 HD12 LEU 5 -1.100 -1.839 -8.418 46 HD13 LEU 5 HD13 LEU 5 -2.391 -0.753 -9.071 47 HD21 LEU 5 HD21 LEU 5 -2.667 -2.452 -5.737 48 HD22 LEU 5 HD22 LEU 5 -1.953 -1.121 -4.755 49 HD23 LEU 5 HD23 LEU 5 -0.898 -2.121 -5.819 50 H ALA 6 HN ALA 6 -2.105 3.240 -6.108 51 HA ALA 6 HA ALA 6 -4.864 3.256 -6.603 52 HB1 ALA 6 HB1 ALA 6 -4.841 5.306 -5.149 53 HB2 ALA 6 HB2 ALA 6 -3.798 4.013 -4.468 54 HB3 ALA 6 HB3 ALA 6 -3.047 5.402 -5.329 55 H SER 7 HN SER 7 -2.283 5.433 -7.807 56 HA SER 7 HA SER 7 -3.970 7.102 -9.293 57 HB2 SER 7 HB1 SER 7 -1.548 7.558 -8.723 58 HB3 SER 7 HB2 SER 7 -1.070 6.406 -10.006 59 HG SER 7 HG1 SER 7 -1.121 8.615 -10.652 60 H LEU 8 HN LEU 8 -2.296 4.073 -10.387 61 HA LEU 8 HA LEU 8 -3.318 4.093 -13.007 62 HB2 LEU 8 HB1 LEU 8 -2.384 1.839 -11.157 63 HB3 LEU 8 HB2 LEU 8 -2.845 1.550 -12.863 64 HG LEU 8 HG LEU 8 -0.603 3.463 -12.005 65 HD11 LEU 8 HD11 LEU 8 -0.447 0.549 -13.007 66 HD12 LEU 8 HD12 LEU 8 -0.082 1.123 -11.337 67 HD13 LEU 8 HD13 LEU 8 0.953 1.646 -12.717 68 HD21 LEU 8 HD21 LEU 8 -1.353 2.268 -14.752 69 HD22 LEU 8 HD22 LEU 8 0.108 3.259 -14.400 70 HD23 LEU 8 HD23 LEU 8 -1.527 4.001 -14.265 71 H ALA 9 HN ALA 9 -4.654 2.573 -10.010 72 HA ALA 9 HA ALA 9 -6.867 1.391 -11.175 73 HB1 ALA 9 HB1 ALA 9 -7.795 1.409 -8.843 74 HB2 ALA 9 HB2 ALA 9 -6.052 0.962 -8.844 75 HB3 ALA 9 HB3 ALA 9 -6.546 2.621 -8.368 76 H ALA 10 HN ALA 10 -6.571 4.748 -9.871 77 HA ALA 10 HA ALA 10 -9.158 5.556 -10.502 78 HB1 ALA 10 HB1 ALA 10 -6.544 7.178 -10.482 79 HB2 ALA 10 HB2 ALA 10 -8.220 7.873 -10.385 80 HB3 ALA 10 HB3 ALA 10 -7.590 6.831 -9.063 81 H LYS 11 HN LYS 11 -6.303 5.438 -12.729 82 HA LYS 11 HA LYS 11 -7.812 6.763 -14.817 83 HB2 LYS 11 HB1 LYS 11 -5.349 5.036 -15.310 84 HB3 LYS 11 HB2 LYS 11 -6.012 6.336 -16.337 85 HG2 LYS 11 HG1 LYS 11 -4.476 6.510 -13.709 86 HG3 LYS 11 HG2 LYS 11 -3.957 7.071 -15.309 87 HD2 LYS 11 HD1 LYS 11 -5.503 8.940 -15.310 88 HD3 LYS 11 HD2 LYS 11 -6.342 8.381 -13.836 89 HE2 LYS 11 HE1 LYS 11 -3.353 9.177 -13.897 90 HE3 LYS 11 HE2 LYS 11 -4.689 10.314 -13.451 91 HZ1 LYS 11 HZ1 LYS 11 -4.500 7.704 -12.092 92 HZ2 LYS 11 HZ2 LYS 11 -5.110 9.169 -11.520 93 HZ3 LYS 11 HZ3 LYS 11 -3.440 8.887 -11.634 94 H PHE 12 HN PHE 12 -6.944 3.340 -14.126 95 HA PHE 12 HA PHE 12 -8.400 2.547 -16.562 96 HB2 PHE 12 HB1 PHE 12 -6.147 1.165 -14.982 97 HB3 PHE 12 HB2 PHE 12 -6.873 0.550 -16.515 98 HD1 PHE 12 HD1 PHE 12 -4.135 2.288 -15.243 99 HD2 PHE 12 HD2 PHE 12 -6.980 2.435 -18.459 100 HE1 PHE 12 HE1 PHE 12 -2.547 3.636 -16.589 101 HE2 PHE 12 HE2 PHE 12 -5.398 3.793 -19.796 102 HZ PHE 12 HZ PHE 12 -3.183 4.397 -18.860 103 H GLY 13 HN GLY 13 -8.814 2.208 -13.113 104 HA2 GLY 13 HA1 GLY 13 -9.546 -0.366 -12.768 105 HA3 GLY 13 HA2 GLY 13 -10.280 1.034 -11.932 106 HA PRO 14 HA PRO 14 -14.035 -0.051 -13.943 107 HB2 PRO 14 HB1 PRO 14 -15.120 2.241 -15.172 108 HB3 PRO 14 HB2 PRO 14 -15.031 2.001 -13.391 109 HG2 PRO 14 HG1 PRO 14 -13.005 3.489 -15.152 110 HG3 PRO 14 HG2 PRO 14 -13.814 4.082 -13.634 111 HD2 PRO 14 HD1 PRO 14 -11.309 3.003 -13.516 112 HD3 PRO 14 HD2 PRO 14 -12.539 2.521 -12.266 113 H LYS 15 HN LYS 15 -11.424 0.755 -15.940 114 HA LYS 15 HA LYS 15 -12.867 0.052 -18.417 115 HB2 LYS 15 HB1 LYS 15 -9.989 1.046 -18.019 116 HB3 LYS 15 HB2 LYS 15 -10.849 0.853 -19.579 117 HG2 LYS 15 HG1 LYS 15 -12.459 2.649 -18.921 118 HG3 LYS 15 HG2 LYS 15 -11.644 2.809 -17.328 119 HD2 LYS 15 HD1 LYS 15 -9.496 3.451 -18.509 120 HD3 LYS 15 HD2 LYS 15 -10.343 3.324 -20.075 121 HE2 LYS 15 HE1 LYS 15 -10.157 5.701 -19.387 122 HE3 LYS 15 HE2 LYS 15 -11.896 5.199 -19.415 123 HZ1 LYS 15 HZ1 LYS 15 -11.262 6.473 -17.415 124 HZ2 LYS 15 HZ2 LYS 15 -10.164 5.259 -16.993 125 HZ3 LYS 15 HZ3 LYS 15 -11.810 4.909 -17.038 126 H LEU 16 HN LEU 16 -10.940 -1.319 -15.900 127 HA LEU 16 HA LEU 16 -9.407 -3.178 -17.285 128 HB2 LEU 16 HB1 LEU 16 -9.178 -2.407 -14.919 129 HB3 LEU 16 HB2 LEU 16 -10.627 -3.330 -14.456 130 HG LEU 16 HG LEU 16 -8.210 -4.710 -15.758 131 HD11 LEU 16 HD11 LEU 16 -7.314 -3.326 -13.887 132 HD12 LEU 16 HD12 LEU 16 -7.258 -5.082 -13.481 133 HD13 LEU 16 HD13 LEU 16 -8.538 -4.036 -12.767 134 HD21 LEU 16 HD21 LEU 16 -10.334 -5.662 -13.717 135 HD22 LEU 16 HD22 LEU 16 -8.937 -6.641 -14.294 136 HD23 LEU 16 HD23 LEU 16 -10.228 -6.164 -15.447 137 H PHE 17 HN PHE 17 -12.698 -3.485 -15.925 138 HA PHE 17 HA PHE 17 -13.216 -6.104 -16.640 139 HB2 PHE 17 HB1 PHE 17 -15.248 -3.769 -16.600 140 HB3 PHE 17 HB2 PHE 17 -15.605 -5.516 -16.314 141 HD1 PHE 17 HD1 PHE 17 -14.761 -2.391 -14.783 142 HD2 PHE 17 HD2 PHE 17 -14.274 -6.639 -14.344 143 HE1 PHE 17 HE1 PHE 17 -14.192 -2.081 -12.392 144 HE2 PHE 17 HE2 PHE 17 -13.718 -6.326 -11.951 145 HZ PHE 17 HZ PHE 17 -13.673 -4.048 -10.976 146 H CYS 18 HN CYS 18 -13.678 -3.117 -18.558 147 HA CYS 18 HA CYS 18 -14.659 -4.413 -20.880 148 HB2 CYS 18 HB1 CYS 18 -13.216 -1.739 -20.464 149 HB3 CYS 18 HB2 CYS 18 -13.779 -2.283 -22.069 150 H LEU 19 HN LEU 19 -11.252 -3.552 -19.949 151 HA LEU 19 HA LEU 19 -10.114 -4.428 -22.344 152 HB2 LEU 19 HB1 LEU 19 -8.999 -4.266 -19.501 153 HB3 LEU 19 HB2 LEU 19 -7.977 -4.681 -20.912 154 HG LEU 19 HG LEU 19 -9.579 -2.070 -20.712 155 HD11 LEU 19 HD11 LEU 19 -7.914 -2.189 -18.866 156 HD12 LEU 19 HD12 LEU 19 -7.411 -0.985 -20.111 157 HD13 LEU 19 HD13 LEU 19 -6.615 -2.602 -20.046 158 HD21 LEU 19 HD21 LEU 19 -8.987 -2.701 -23.053 159 HD22 LEU 19 HD22 LEU 19 -7.268 -2.948 -22.560 160 HD23 LEU 19 HD23 LEU 19 -7.997 -1.302 -22.501 161 H VAL 20 HN VAL 20 -10.683 -6.347 -19.350 162 HA VAL 20 HA VAL 20 -9.690 -8.786 -20.331 163 HB VAL 20 HB VAL 20 -11.904 -8.164 -18.321 164 HG11 VAL 20 HG11 VAL 20 -11.468 -10.529 -17.487 165 HG12 VAL 20 HG12 VAL 20 -12.223 -10.515 -19.115 166 HG13 VAL 20 HG13 VAL 20 -10.454 -10.834 -18.943 167 HG21 VAL 20 HG21 VAL 20 -10.084 -8.672 -16.661 168 HG22 VAL 20 HG22 VAL 20 -8.920 -8.943 -18.006 169 HG23 VAL 20 HG23 VAL 20 -9.600 -7.300 -17.715 170 H THR 21 HN THR 21 -12.905 -7.287 -20.675 171 HA THR 21 HA THR 21 -13.892 -9.497 -22.277 172 HB THR 21 HB THR 21 -15.333 -6.848 -21.915 173 HG1 THR 21 HG1 THR 21 -14.879 -7.509 -19.865 174 HG21 THR 21 HG21 THR 21 -16.240 -9.812 -22.186 175 HG22 THR 21 HG22 THR 21 -16.351 -8.584 -23.508 176 HG23 THR 21 HG23 THR 21 -17.328 -8.394 -22.010 177 H LYS 22 HN LYS 22 -11.551 -8.093 -23.336 178 HA LYS 22 HA LYS 22 -10.719 -7.758 -25.327 179 HB2 LYS 22 HB1 LYS 22 -12.549 -9.537 -25.806 180 HB3 LYS 22 HB2 LYS 22 -13.421 -8.222 -26.645 181 HG2 LYS 22 HG1 LYS 22 -11.311 -7.920 -28.108 182 HG3 LYS 22 HG2 LYS 22 -10.623 -9.373 -27.324 183 HD2 LYS 22 HD1 LYS 22 -13.261 -9.231 -28.930 184 HD3 LYS 22 HD2 LYS 22 -11.679 -9.777 -29.579 185 HE2 LYS 22 HE1 LYS 22 -11.668 -11.705 -27.940 186 HE3 LYS 22 HE2 LYS 22 -13.293 -11.188 -27.337 187 HZ1 LYS 22 HZ1 LYS 22 -12.636 -11.984 -30.138 188 HZ2 LYS 22 HZ2 LYS 22 -14.155 -11.491 -29.577 189 HZ3 LYS 22 HZ3 LYS 22 -13.460 -12.922 -28.996 190 H LYS 23 HN LYS 23 -12.172 -5.551 -23.916 191 HA LYS 23 HA LYS 23 -11.922 -3.334 -24.023 192 HB2 LYS 23 HB1 LYS 23 -12.445 -3.348 -27.012 193 HB3 LYS 23 HB2 LYS 23 -12.166 -1.893 -26.016 194 HG2 LYS 23 HG1 LYS 23 -9.865 -2.531 -25.494 195 HG3 LYS 23 HG2 LYS 23 -10.033 -4.088 -26.338 196 HD2 LYS 23 HD1 LYS 23 -10.053 -1.259 -27.556 197 HD3 LYS 23 HD2 LYS 23 -8.818 -2.527 -27.780 198 HE2 LYS 23 HE1 LYS 23 -11.696 -2.444 -28.925 199 HE3 LYS 23 HE2 LYS 23 -10.140 -2.388 -29.835 200 HZ1 LYS 23 HZ1 LYS 23 -11.132 -4.685 -28.210 201 HZ2 LYS 23 HZ2 LYS 23 -9.691 -4.643 -29.089 202 HZ3 LYS 23 HZ3 LYS 23 -11.190 -4.567 -29.894 203 H CYS 24 HN CYS 24 -14.356 -5.411 -24.396 204 HA CYS 24 HA CYS 24 -16.498 -5.442 -24.666 205 HB2 CYS 24 HB1 CYS 24 -17.881 -4.350 -23.028 206 HB3 CYS 24 HB2 CYS 24 -16.357 -4.920 -22.303 Start of MODEL 18 1 H1 PHE 1 HN PHE 1 5.119 4.741 -0.164 2 HA PHE 1 HA PHE 1 6.182 3.436 -2.014 3 HB2 PHE 1 HB1 PHE 1 4.386 1.854 -0.038 4 HB3 PHE 1 HB2 PHE 1 5.812 1.183 -0.921 5 HD1 PHE 1 HD1 PHE 1 4.715 2.820 2.072 6 HD2 PHE 1 HD2 PHE 1 8.077 2.429 -0.579 7 HE1 PHE 1 HE1 PHE 1 6.224 3.610 3.867 8 HE2 PHE 1 HE2 PHE 1 9.584 3.222 1.221 9 HZ PHE 1 HZ PHE 1 8.657 3.815 3.443 10 H LEU 2 HN LEU 2 2.700 2.900 -1.467 11 HA LEU 2 HA LEU 2 2.502 1.482 -3.997 12 HB2 LEU 2 HB1 LEU 2 0.507 0.540 -3.200 13 HB3 LEU 2 HB2 LEU 2 1.663 0.519 -1.845 14 HG LEU 2 HG LEU 2 -0.670 2.506 -2.208 15 HD11 LEU 2 HD11 LEU 2 -1.407 0.167 -1.787 16 HD12 LEU 2 HD12 LEU 2 -1.746 1.229 -0.371 17 HD13 LEU 2 HD13 LEU 2 -0.352 0.090 -0.326 18 HD21 LEU 2 HD21 LEU 2 1.061 3.619 -0.827 19 HD22 LEU 2 HD22 LEU 2 1.240 2.128 0.189 20 HD23 LEU 2 HD23 LEU 2 -0.288 3.072 0.220 21 HA PRO 3 HA PRO 3 -0.699 5.004 -4.494 22 HB2 PRO 3 HB1 PRO 3 0.340 7.451 -5.299 23 HB3 PRO 3 HB2 PRO 3 0.303 6.962 -3.563 24 HG2 PRO 3 HG1 PRO 3 2.657 6.635 -5.514 25 HG3 PRO 3 HG2 PRO 3 2.667 7.436 -3.888 26 HD2 PRO 3 HD1 PRO 3 3.401 4.794 -4.214 27 HD3 PRO 3 HD2 PRO 3 2.454 5.324 -2.752 28 H ILE 4 HN ILE 4 1.888 3.991 -6.453 29 HA ILE 4 HA ILE 4 0.953 4.672 -9.033 30 HB ILE 4 HB ILE 4 2.498 2.206 -8.094 31 HG12 ILE 4 HG11 ILE 4 3.559 4.900 -9.150 32 HG13 ILE 4 HG12 ILE 4 3.582 4.408 -7.429 33 HG21 ILE 4 HG21 ILE 4 3.292 2.139 -10.498 34 HG22 ILE 4 HG22 ILE 4 1.519 1.933 -10.401 35 HG23 ILE 4 HG23 ILE 4 2.210 3.526 -10.887 36 HD11 ILE 4 HD1 ILE 4 5.793 3.998 -8.371 37 HD12 ILE 4 HD2 ILE 4 5.020 2.417 -8.002 38 HD13 ILE 4 HD3 ILE 4 5.115 3.003 -9.705 39 H LEU 5 HN LEU 5 0.135 1.981 -6.786 40 HA LEU 5 HA LEU 5 -1.544 0.576 -8.580 41 HB2 LEU 5 HB1 LEU 5 -1.388 0.702 -5.509 42 HB3 LEU 5 HB2 LEU 5 -2.550 -0.335 -6.385 43 HG LEU 5 HG LEU 5 -0.665 -1.536 -7.503 44 HD11 LEU 5 HD11 LEU 5 1.609 -1.464 -6.389 45 HD12 LEU 5 HD12 LEU 5 1.110 0.030 -5.519 46 HD13 LEU 5 HD13 LEU 5 1.248 0.025 -7.325 47 HD21 LEU 5 HD21 LEU 5 -0.115 -2.891 -5.481 48 HD22 LEU 5 HD22 LEU 5 -1.852 -2.412 -5.490 49 HD23 LEU 5 HD23 LEU 5 -0.684 -1.553 -4.418 50 H ALA 6 HN ALA 6 -2.163 3.137 -6.158 51 HA ALA 6 HA ALA 6 -4.947 3.274 -6.539 52 HB1 ALA 6 HB1 ALA 6 -3.741 4.202 -4.552 53 HB2 ALA 6 HB2 ALA 6 -2.963 5.438 -5.605 54 HB3 ALA 6 HB3 ALA 6 -4.748 5.462 -5.346 55 H SER 7 HN SER 7 -2.300 5.172 -8.153 56 HA SER 7 HA SER 7 -4.101 6.720 -9.668 57 HB2 SER 7 HB1 SER 7 -2.228 7.520 -10.967 58 HB3 SER 7 HB2 SER 7 -1.777 7.438 -9.226 59 HG SER 7 HG1 SER 7 -0.112 6.549 -10.372 60 H LEU 8 HN LEU 8 -2.397 3.668 -10.533 61 HA LEU 8 HA LEU 8 -3.573 3.426 -13.074 62 HB2 LEU 8 HB1 LEU 8 -2.565 1.334 -11.084 63 HB3 LEU 8 HB2 LEU 8 -3.120 0.902 -12.734 64 HG LEU 8 HG LEU 8 -0.818 2.842 -12.135 65 HD11 LEU 8 HD11 LEU 8 0.679 0.970 -12.809 66 HD12 LEU 8 HD12 LEU 8 -0.745 -0.127 -12.974 67 HD13 LEU 8 HD13 LEU 8 -0.297 0.540 -11.358 68 HD21 LEU 8 HD21 LEU 8 -1.837 3.274 -14.369 69 HD22 LEU 8 HD22 LEU 8 -1.744 1.511 -14.766 70 HD23 LEU 8 HD23 LEU 8 -0.237 2.475 -14.552 71 H ALA 9 HN ALA 9 -4.815 2.131 -9.887 72 HA ALA 9 HA ALA 9 -7.087 0.957 -10.995 73 HB1 ALA 9 HB1 ALA 9 -7.975 1.046 -8.644 74 HB2 ALA 9 HB2 ALA 9 -6.250 0.533 -8.680 75 HB3 ALA 9 HB3 ALA 9 -6.665 2.214 -8.215 76 H ALA 10 HN ALA 10 -6.681 4.302 -9.713 77 HA ALA 10 HA ALA 10 -9.378 4.986 -10.127 78 HB1 ALA 10 HB1 ALA 10 -8.614 7.279 -9.496 79 HB2 ALA 10 HB2 ALA 10 -7.871 6.035 -8.438 80 HB3 ALA 10 HB3 ALA 10 -6.891 6.757 -9.750 81 H LYS 11 HN LYS 11 -6.800 4.867 -12.463 82 HA LYS 11 HA LYS 11 -8.480 6.510 -14.307 83 HB2 LYS 11 HB1 LYS 11 -5.460 6.083 -14.295 84 HB3 LYS 11 HB2 LYS 11 -6.335 7.078 -15.500 85 HG2 LYS 11 HG1 LYS 11 -6.320 7.721 -12.465 86 HG3 LYS 11 HG2 LYS 11 -5.026 8.183 -13.575 87 HD2 LYS 11 HD1 LYS 11 -6.308 10.122 -13.414 88 HD3 LYS 11 HD2 LYS 11 -6.612 9.452 -15.031 89 HE2 LYS 11 HE1 LYS 11 -8.654 10.444 -14.029 90 HE3 LYS 11 HE2 LYS 11 -8.897 8.678 -14.305 91 HZ1 LYS 11 HZ1 LYS 11 -9.561 9.763 -12.062 92 HZ2 LYS 11 HZ2 LYS 11 -7.911 9.605 -11.676 93 HZ3 LYS 11 HZ3 LYS 11 -8.837 8.249 -12.109 94 H PHE 12 HN PHE 12 -6.991 3.311 -13.916 95 HA PHE 12 HA PHE 12 -7.958 2.663 -16.632 96 HB2 PHE 12 HB1 PHE 12 -5.548 1.588 -15.047 97 HB3 PHE 12 HB2 PHE 12 -6.264 0.699 -16.430 98 HD1 PHE 12 HD1 PHE 12 -4.703 3.987 -15.488 99 HD2 PHE 12 HD2 PHE 12 -5.694 1.222 -18.615 100 HE1 PHE 12 HE1 PHE 12 -3.395 5.341 -17.096 101 HE2 PHE 12 HE2 PHE 12 -4.367 2.564 -20.224 102 HZ PHE 12 HZ PHE 12 -3.231 4.635 -19.467 103 H GLY 13 HN GLY 13 -8.633 2.079 -13.271 104 HA2 GLY 13 HA1 GLY 13 -9.501 -0.481 -13.220 105 HA3 GLY 13 HA2 GLY 13 -10.315 0.900 -12.425 106 HA PRO 14 HA PRO 14 -13.703 0.154 -15.110 107 HB2 PRO 14 HB1 PRO 14 -14.393 2.531 -16.477 108 HB3 PRO 14 HB2 PRO 14 -14.681 2.244 -14.722 109 HG2 PRO 14 HG1 PRO 14 -12.274 3.661 -15.993 110 HG3 PRO 14 HG2 PRO 14 -13.326 4.245 -14.634 111 HD2 PRO 14 HD1 PRO 14 -10.948 3.024 -14.091 112 HD3 PRO 14 HD2 PRO 14 -12.415 2.561 -13.119 113 H LYS 15 HN LYS 15 -10.821 1.250 -16.750 114 HA LYS 15 HA LYS 15 -11.706 0.375 -19.363 115 HB2 LYS 15 HB1 LYS 15 -8.798 0.555 -18.397 116 HB3 LYS 15 HB2 LYS 15 -9.400 0.444 -20.075 117 HG2 LYS 15 HG1 LYS 15 -10.559 2.746 -19.641 118 HG3 LYS 15 HG2 LYS 15 -9.545 2.837 -18.164 119 HD2 LYS 15 HD1 LYS 15 -7.527 2.257 -19.818 120 HD3 LYS 15 HD2 LYS 15 -8.695 2.593 -21.112 121 HE2 LYS 15 HE1 LYS 15 -7.498 4.612 -20.941 122 HE3 LYS 15 HE2 LYS 15 -9.011 4.974 -20.022 123 HZ1 LYS 15 HZ1 LYS 15 -7.807 4.664 -17.976 124 HZ2 LYS 15 HZ2 LYS 15 -6.883 5.665 -18.955 125 HZ3 LYS 15 HZ3 LYS 15 -6.459 4.043 -18.768 126 H LEU 16 HN LEU 16 -9.962 -1.054 -16.595 127 HA LEU 16 HA LEU 16 -8.949 -3.292 -17.799 128 HB2 LEU 16 HB1 LEU 16 -8.339 -2.243 -15.615 129 HB3 LEU 16 HB2 LEU 16 -9.814 -2.905 -14.868 130 HG LEU 16 HG LEU 16 -7.751 -4.748 -16.201 131 HD11 LEU 16 HD11 LEU 16 -7.613 -3.633 -13.329 132 HD12 LEU 16 HD12 LEU 16 -6.472 -3.245 -14.674 133 HD13 LEU 16 HD13 LEU 16 -6.560 -4.921 -14.016 134 HD21 LEU 16 HD21 LEU 16 -9.854 -5.880 -15.452 135 HD22 LEU 16 HD22 LEU 16 -9.694 -5.125 -13.821 136 HD23 LEU 16 HD23 LEU 16 -8.492 -6.343 -14.380 137 H PHE 17 HN PHE 17 -12.082 -3.109 -15.992 138 HA PHE 17 HA PHE 17 -12.746 -5.791 -16.357 139 HB2 PHE 17 HB1 PHE 17 -14.639 -3.357 -16.138 140 HB3 PHE 17 HB2 PHE 17 -15.110 -5.079 -15.856 141 HD1 PHE 17 HD1 PHE 17 -14.025 -2.117 -14.258 142 HD2 PHE 17 HD2 PHE 17 -13.538 -6.386 -14.143 143 HE1 PHE 17 HE1 PHE 17 -13.264 -1.968 -11.908 144 HE2 PHE 17 HE2 PHE 17 -12.774 -6.234 -11.794 145 HZ PHE 17 HZ PHE 17 -12.635 -4.027 -10.674 146 H CYS 18 HN CYS 18 -13.463 -3.012 -18.507 147 HA CYS 18 HA CYS 18 -14.771 -4.644 -20.438 148 HB2 CYS 18 HB1 CYS 18 -13.618 -1.823 -20.466 149 HB3 CYS 18 HB2 CYS 18 -14.097 -2.585 -22.015 150 H LEU 19 HN LEU 19 -11.319 -3.765 -20.093 151 HA LEU 19 HA LEU 19 -10.522 -4.899 -22.547 152 HB2 LEU 19 HB1 LEU 19 -9.045 -4.470 -19.909 153 HB3 LEU 19 HB2 LEU 19 -8.233 -5.115 -21.369 154 HG LEU 19 HG LEU 19 -9.684 -2.411 -21.319 155 HD11 LEU 19 HD11 LEU 19 -7.412 -1.385 -21.130 156 HD12 LEU 19 HD12 LEU 19 -6.685 -3.026 -20.950 157 HD13 LEU 19 HD13 LEU 19 -7.805 -2.395 -19.685 158 HD21 LEU 19 HD21 LEU 19 -9.415 -3.366 -23.612 159 HD22 LEU 19 HD22 LEU 19 -7.660 -3.642 -23.298 160 HD23 LEU 19 HD23 LEU 19 -8.309 -1.964 -23.373 161 H VAL 20 HN VAL 20 -10.837 -6.443 -19.306 162 HA VAL 20 HA VAL 20 -10.000 -9.005 -20.084 163 HB VAL 20 HB VAL 20 -11.952 -8.063 -17.938 164 HG11 VAL 20 HG11 VAL 20 -11.539 -10.348 -16.892 165 HG12 VAL 20 HG12 VAL 20 -12.488 -10.454 -18.410 166 HG13 VAL 20 HG13 VAL 20 -10.731 -10.875 -18.413 167 HG21 VAL 20 HG21 VAL 20 -9.984 -8.492 -16.440 168 HG22 VAL 20 HG22 VAL 20 -9.001 -9.014 -17.854 169 HG23 VAL 20 HG23 VAL 20 -9.536 -7.300 -17.709 170 H THR 21 HN THR 21 -13.329 -7.584 -20.140 171 HA THR 21 HA THR 21 -14.364 -9.847 -21.565 172 HB THR 21 HB THR 21 -15.686 -7.123 -21.323 173 HG1 THR 21 HG1 THR 21 -16.423 -7.805 -19.402 174 HG21 THR 21 HG21 THR 21 -16.753 -10.044 -21.515 175 HG22 THR 21 HG22 THR 21 -16.827 -8.841 -22.857 176 HG23 THR 21 HG23 THR 21 -17.775 -8.571 -21.354 177 H LYS 22 HN LYS 22 -12.215 -9.178 -22.946 178 HA LYS 22 HA LYS 22 -11.365 -8.893 -24.949 179 HB2 LYS 22 HB1 LYS 22 -13.357 -10.568 -25.077 180 HB3 LYS 22 HB2 LYS 22 -14.150 -9.360 -26.109 181 HG2 LYS 22 HG1 LYS 22 -11.358 -10.598 -26.684 182 HG3 LYS 22 HG2 LYS 22 -12.910 -11.364 -27.158 183 HD2 LYS 22 HD1 LYS 22 -13.510 -9.181 -28.377 184 HD3 LYS 22 HD2 LYS 22 -11.803 -8.706 -28.231 185 HE2 LYS 22 HE1 LYS 22 -12.885 -11.257 -29.643 186 HE3 LYS 22 HE2 LYS 22 -12.359 -9.738 -30.469 187 HZ1 LYS 22 HZ1 LYS 22 -10.157 -10.061 -29.559 188 HZ2 LYS 22 HZ2 LYS 22 -10.632 -11.413 -30.468 189 HZ3 LYS 22 HZ3 LYS 22 -10.646 -11.481 -28.771 190 H LYS 23 HN LYS 23 -11.906 -6.410 -23.827 191 HA LYS 23 HA LYS 23 -12.134 -4.258 -24.208 192 HB2 LYS 23 HB1 LYS 23 -10.405 -4.585 -25.994 193 HB3 LYS 23 HB2 LYS 23 -11.726 -4.751 -27.178 194 HG2 LYS 23 HG1 LYS 23 -12.291 -2.300 -25.760 195 HG3 LYS 23 HG2 LYS 23 -10.526 -2.314 -25.949 196 HD2 LYS 23 HD1 LYS 23 -10.675 -1.727 -28.117 197 HD3 LYS 23 HD2 LYS 23 -11.723 -3.108 -28.517 198 HE2 LYS 23 HE1 LYS 23 -12.751 -0.440 -27.311 199 HE3 LYS 23 HE2 LYS 23 -12.709 -0.806 -29.081 200 HZ1 LYS 23 HZ1 LYS 23 -14.748 -1.438 -27.336 201 HZ2 LYS 23 HZ2 LYS 23 -13.964 -2.871 -27.522 202 HZ3 LYS 23 HZ3 LYS 23 -14.527 -2.080 -28.897 203 H CYS 24 HN CYS 24 -14.446 -4.831 -23.509 204 HA CYS 24 HA CYS 24 -16.474 -4.591 -25.465 205 HB2 CYS 24 HB1 CYS 24 -18.082 -4.492 -23.701 206 HB3 CYS 24 HB2 CYS 24 -16.801 -5.635 -23.222 Start of MODEL 19 1 H1 PHE 1 HN PHE 1 6.507 3.567 -1.450 2 HA PHE 1 HA PHE 1 4.754 1.837 -0.307 3 HB2 PHE 1 HB1 PHE 1 4.118 3.794 1.183 4 HB3 PHE 1 HB2 PHE 1 3.668 4.740 -0.274 5 HD1 PHE 1 HD1 PHE 1 2.988 1.317 1.235 6 HD2 PHE 1 HD2 PHE 1 1.371 4.788 -0.717 7 HE1 PHE 1 HE1 PHE 1 0.735 0.300 1.292 8 HE2 PHE 1 HE2 PHE 1 -0.887 3.769 -0.654 9 HZ PHE 1 HZ PHE 1 -1.203 1.519 0.343 10 H LEU 2 HN LEU 2 2.540 1.933 -1.801 11 HA LEU 2 HA LEU 2 3.537 2.320 -4.559 12 HB2 LEU 2 HB1 LEU 2 1.456 0.320 -3.532 13 HB3 LEU 2 HB2 LEU 2 1.964 0.551 -5.232 14 HG LEU 2 HG LEU 2 4.400 0.037 -4.296 15 HD11 LEU 2 HD11 LEU 2 2.594 -1.452 -2.271 16 HD12 LEU 2 HD12 LEU 2 3.817 -0.190 -1.863 17 HD13 LEU 2 HD13 LEU 2 4.345 -1.766 -2.542 18 HD21 LEU 2 HD21 LEU 2 2.239 -2.117 -4.750 19 HD22 LEU 2 HD22 LEU 2 4.018 -2.358 -4.889 20 HD23 LEU 2 HD23 LEU 2 3.170 -1.257 -6.038 21 HA PRO 3 HA PRO 3 -0.430 4.825 -4.169 22 HB2 PRO 3 HB1 PRO 3 0.423 7.408 -4.775 23 HB3 PRO 3 HB2 PRO 3 0.587 6.718 -3.117 24 HG2 PRO 3 HG1 PRO 3 2.740 6.741 -5.315 25 HG3 PRO 3 HG2 PRO 3 2.883 7.345 -3.613 26 HD2 PRO 3 HD1 PRO 3 3.702 4.803 -4.291 27 HD3 PRO 3 HD2 PRO 3 2.837 5.110 -2.722 28 H ILE 4 HN ILE 4 2.024 4.243 -6.469 29 HA ILE 4 HA ILE 4 0.896 5.179 -8.835 30 HB ILE 4 HB ILE 4 2.453 2.570 -8.484 31 HG12 ILE 4 HG11 ILE 4 4.328 4.348 -9.326 32 HG13 ILE 4 HG12 ILE 4 3.369 5.464 -8.321 33 HG21 ILE 4 HG21 ILE 4 2.113 4.538 -10.854 34 HG22 ILE 4 HG22 ILE 4 3.176 3.086 -10.834 35 HG23 ILE 4 HG23 ILE 4 1.397 2.884 -10.742 36 HD11 ILE 4 HD1 ILE 4 3.713 3.858 -6.335 37 HD12 ILE 4 HD2 ILE 4 4.640 2.767 -7.427 38 HD13 ILE 4 HD3 ILE 4 5.268 4.404 -7.047 39 H LEU 5 HN LEU 5 0.214 2.183 -6.956 40 HA LEU 5 HA LEU 5 -1.428 0.960 -8.879 41 HB2 LEU 5 HB1 LEU 5 -0.366 -0.195 -6.935 42 HB3 LEU 5 HB2 LEU 5 -1.371 0.757 -5.810 43 HG LEU 5 HG LEU 5 -3.434 -0.346 -6.722 44 HD11 LEU 5 HD11 LEU 5 -3.199 -2.386 -8.170 45 HD12 LEU 5 HD12 LEU 5 -1.452 -2.020 -8.400 46 HD13 LEU 5 HD13 LEU 5 -2.711 -0.892 -9.044 47 HD21 LEU 5 HD21 LEU 5 -1.237 -2.305 -5.803 48 HD22 LEU 5 HD22 LEU 5 -3.016 -2.577 -5.708 49 HD23 LEU 5 HD23 LEU 5 -2.252 -1.271 -4.730 50 H ALA 6 HN ALA 6 -2.306 3.061 -6.079 51 HA ALA 6 HA ALA 6 -5.063 3.156 -6.613 52 HB1 ALA 6 HB1 ALA 6 -4.018 3.819 -4.437 53 HB2 ALA 6 HB2 ALA 6 -3.207 5.209 -5.244 54 HB3 ALA 6 HB3 ALA 6 -5.006 5.164 -5.100 55 H SER 7 HN SER 7 -2.398 5.266 -7.700 56 HA SER 7 HA SER 7 -3.941 7.126 -9.080 57 HB2 SER 7 HB1 SER 7 -1.490 7.339 -8.466 58 HB3 SER 7 HB2 SER 7 -1.094 6.228 -9.811 59 HG SER 7 HG1 SER 7 -0.910 8.434 -10.355 60 H LEU 8 HN LEU 8 -2.477 4.069 -10.353 61 HA LEU 8 HA LEU 8 -3.582 4.325 -12.948 62 HB2 LEU 8 HB1 LEU 8 -2.611 1.918 -11.321 63 HB3 LEU 8 HB2 LEU 8 -3.137 1.788 -13.029 64 HG LEU 8 HG LEU 8 -0.822 3.563 -12.069 65 HD11 LEU 8 HD11 LEU 8 -0.779 0.782 -13.402 66 HD12 LEU 8 HD12 LEU 8 -0.341 1.151 -11.692 67 HD13 LEU 8 HD13 LEU 8 0.658 1.808 -13.041 68 HD21 LEU 8 HD21 LEU 8 -1.724 2.712 -14.899 69 HD22 LEU 8 HD22 LEU 8 -0.211 3.605 -14.508 70 HD23 LEU 8 HD23 LEU 8 -1.807 4.383 -14.213 71 H ALA 9 HN ALA 9 -4.817 2.568 -10.009 72 HA ALA 9 HA ALA 9 -6.960 1.370 -11.252 73 HB1 ALA 9 HB1 ALA 9 -6.702 2.381 -8.354 74 HB2 ALA 9 HB2 ALA 9 -7.879 1.137 -8.925 75 HB3 ALA 9 HB3 ALA 9 -6.113 0.801 -8.970 76 H ALA 10 HN ALA 10 -6.907 4.591 -9.654 77 HA ALA 10 HA ALA 10 -9.559 5.279 -10.098 78 HB1 ALA 10 HB1 ALA 10 -7.032 7.042 -10.029 79 HB2 ALA 10 HB2 ALA 10 -8.730 7.630 -9.783 80 HB3 ALA 10 HB3 ALA 10 -7.982 6.500 -8.602 81 H LYS 11 HN LYS 11 -6.867 5.341 -12.418 82 HA LYS 11 HA LYS 11 -8.485 6.947 -14.291 83 HB2 LYS 11 HB1 LYS 11 -5.552 6.081 -14.294 84 HB3 LYS 11 HB2 LYS 11 -6.302 7.112 -15.560 85 HG2 LYS 11 HG1 LYS 11 -6.780 8.885 -13.896 86 HG3 LYS 11 HG2 LYS 11 -6.225 7.823 -12.571 87 HD2 LYS 11 HD1 LYS 11 -3.909 7.752 -13.744 88 HD3 LYS 11 HD2 LYS 11 -4.513 9.039 -14.828 89 HE2 LYS 11 HE1 LYS 11 -3.199 10.068 -12.986 90 HE3 LYS 11 HE2 LYS 11 -4.945 10.507 -12.781 91 HZ1 LYS 11 HZ1 LYS 11 -4.660 8.132 -11.473 92 HZ2 LYS 11 HZ2 LYS 11 -4.685 9.664 -10.726 93 HZ3 LYS 11 HZ3 LYS 11 -3.234 8.876 -11.109 94 H PHE 12 HN PHE 12 -7.846 3.640 -13.695 95 HA PHE 12 HA PHE 12 -8.653 2.943 -16.452 96 HB2 PHE 12 HB1 PHE 12 -6.203 1.897 -14.892 97 HB3 PHE 12 HB2 PHE 12 -6.867 1.048 -16.330 98 HD1 PHE 12 HD1 PHE 12 -4.848 3.866 -15.205 99 HD2 PHE 12 HD2 PHE 12 -6.890 2.112 -18.543 100 HE1 PHE 12 HE1 PHE 12 -3.541 5.298 -16.751 101 HE2 PHE 12 HE2 PHE 12 -5.582 3.538 -20.097 102 HZ PHE 12 HZ PHE 12 -3.914 5.140 -19.199 103 H GLY 13 HN GLY 13 -9.409 2.347 -13.151 104 HA2 GLY 13 HA1 GLY 13 -9.865 -0.282 -12.976 105 HA3 GLY 13 HA2 GLY 13 -10.959 0.973 -12.329 106 HA PRO 14 HA PRO 14 -13.993 -0.664 -15.049 107 HB2 PRO 14 HB1 PRO 14 -15.206 1.439 -16.478 108 HB3 PRO 14 HB2 PRO 14 -15.416 1.174 -14.709 109 HG2 PRO 14 HG1 PRO 14 -13.404 3.048 -16.072 110 HG3 PRO 14 HG2 PRO 14 -14.556 3.435 -14.725 111 HD2 PRO 14 HD1 PRO 14 -11.947 2.805 -14.178 112 HD3 PRO 14 HD2 PRO 14 -13.273 2.105 -13.145 113 H LYS 15 HN LYS 15 -11.537 1.212 -16.656 114 HA LYS 15 HA LYS 15 -12.030 0.258 -19.308 115 HB2 LYS 15 HB1 LYS 15 -9.417 1.288 -18.085 116 HB3 LYS 15 HB2 LYS 15 -9.739 1.053 -19.831 117 HG2 LYS 15 HG1 LYS 15 -11.500 2.809 -19.789 118 HG3 LYS 15 HG2 LYS 15 -11.298 2.998 -18.018 119 HD2 LYS 15 HD1 LYS 15 -8.868 3.579 -18.398 120 HD3 LYS 15 HD2 LYS 15 -9.167 3.612 -20.163 121 HE2 LYS 15 HE1 LYS 15 -10.630 5.567 -19.970 122 HE3 LYS 15 HE2 LYS 15 -10.796 5.342 -18.180 123 HZ1 LYS 15 HZ1 LYS 15 -8.219 5.972 -19.537 124 HZ2 LYS 15 HZ2 LYS 15 -8.541 5.847 -17.882 125 HZ3 LYS 15 HZ3 LYS 15 -9.233 7.110 -18.767 126 H LEU 16 HN LEU 16 -10.019 -0.920 -16.582 127 HA LEU 16 HA LEU 16 -8.823 -3.073 -17.880 128 HB2 LEU 16 HB1 LEU 16 -8.253 -2.009 -15.670 129 HB3 LEU 16 HB2 LEU 16 -9.651 -2.820 -14.923 130 HG LEU 16 HG LEU 16 -7.433 -4.393 -16.363 131 HD11 LEU 16 HD11 LEU 16 -7.430 -3.466 -13.422 132 HD12 LEU 16 HD12 LEU 16 -6.322 -2.881 -14.721 133 HD13 LEU 16 HD13 LEU 16 -6.250 -4.598 -14.177 134 HD21 LEU 16 HD21 LEU 16 -8.026 -6.177 -14.675 135 HD22 LEU 16 HD22 LEU 16 -9.422 -5.770 -15.726 136 HD23 LEU 16 HD23 LEU 16 -9.342 -5.125 -14.042 137 H PHE 17 HN PHE 17 -11.955 -2.937 -16.107 138 HA PHE 17 HA PHE 17 -12.701 -5.604 -16.508 139 HB2 PHE 17 HB1 PHE 17 -13.797 -3.950 -14.918 140 HB3 PHE 17 HB2 PHE 17 -14.492 -3.084 -16.333 141 HD1 PHE 17 HD1 PHE 17 -14.405 -6.385 -14.543 142 HD2 PHE 17 HD2 PHE 17 -16.495 -3.884 -17.341 143 HE1 PHE 17 HE1 PHE 17 -16.310 -7.968 -14.535 144 HE2 PHE 17 HE2 PHE 17 -18.400 -5.468 -17.337 145 HZ PHE 17 HZ PHE 17 -18.309 -7.512 -15.936 146 H CYS 18 HN CYS 18 -13.329 -2.721 -18.590 147 HA CYS 18 HA CYS 18 -14.547 -4.149 -20.680 148 HB2 CYS 18 HB1 CYS 18 -12.948 -1.543 -20.649 149 HB3 CYS 18 HB2 CYS 18 -13.681 -2.186 -22.148 150 H LEU 19 HN LEU 19 -11.005 -3.480 -20.224 151 HA LEU 19 HA LEU 19 -10.209 -4.632 -22.638 152 HB2 LEU 19 HB1 LEU 19 -8.780 -4.285 -19.965 153 HB3 LEU 19 HB2 LEU 19 -7.947 -4.962 -21.398 154 HG LEU 19 HG LEU 19 -9.295 -2.207 -21.406 155 HD11 LEU 19 HD11 LEU 19 -6.995 -1.268 -21.137 156 HD12 LEU 19 HD12 LEU 19 -6.337 -2.933 -20.924 157 HD13 LEU 19 HD13 LEU 19 -7.479 -2.254 -19.704 158 HD21 LEU 19 HD21 LEU 19 -7.832 -1.822 -23.406 159 HD22 LEU 19 HD22 LEU 19 -8.981 -3.181 -23.684 160 HD23 LEU 19 HD23 LEU 19 -7.249 -3.523 -23.305 161 H VAL 20 HN VAL 20 -10.596 -6.276 -19.454 162 HA VAL 20 HA VAL 20 -9.863 -8.846 -20.322 163 HB VAL 20 HB VAL 20 -11.837 -7.911 -18.188 164 HG11 VAL 20 HG11 VAL 20 -11.512 -10.238 -17.213 165 HG12 VAL 20 HG12 VAL 20 -12.408 -10.274 -18.767 166 HG13 VAL 20 HG13 VAL 20 -10.661 -10.731 -18.722 167 HG21 VAL 20 HG21 VAL 20 -8.907 -8.918 -18.063 168 HG22 VAL 20 HG22 VAL 20 -9.424 -7.205 -17.854 169 HG23 VAL 20 HG23 VAL 20 -9.921 -8.445 -16.653 170 H THR 21 HN THR 21 -12.953 -7.118 -20.522 171 HA THR 21 HA THR 21 -14.275 -9.306 -21.887 172 HB THR 21 HB THR 21 -15.378 -6.484 -21.609 173 HG1 THR 21 HG1 THR 21 -14.844 -7.063 -19.536 174 HG21 THR 21 HG21 THR 21 -16.643 -9.324 -21.595 175 HG22 THR 21 HG22 THR 21 -16.726 -8.173 -22.983 176 HG23 THR 21 HG23 THR 21 -17.537 -7.775 -21.429 177 H LYS 22 HN LYS 22 -11.863 -8.061 -23.155 178 HA LYS 22 HA LYS 22 -11.070 -7.641 -25.137 179 HB2 LYS 22 HB1 LYS 22 -12.636 -9.662 -25.487 180 HB3 LYS 22 HB2 LYS 22 -13.691 -8.539 -26.392 181 HG2 LYS 22 HG1 LYS 22 -11.697 -8.037 -27.924 182 HG3 LYS 22 HG2 LYS 22 -10.739 -9.256 -27.033 183 HD2 LYS 22 HD1 LYS 22 -13.368 -9.788 -28.567 184 HD3 LYS 22 HD2 LYS 22 -11.716 -10.048 -29.223 185 HE2 LYS 22 HE1 LYS 22 -11.270 -11.771 -27.420 186 HE3 LYS 22 HE2 LYS 22 -12.964 -11.562 -26.820 187 HZ1 LYS 22 HZ1 LYS 22 -12.169 -12.447 -29.557 188 HZ2 LYS 22 HZ2 LYS 22 -13.756 -12.243 -29.003 189 HZ3 LYS 22 HZ3 LYS 22 -12.764 -13.433 -28.317 190 H LYS 23 HN LYS 23 -12.280 -5.461 -23.882 191 HA LYS 23 HA LYS 23 -12.179 -3.271 -24.157 192 HB2 LYS 23 HB1 LYS 23 -13.010 -3.438 -27.069 193 HB3 LYS 23 HB2 LYS 23 -12.472 -1.982 -26.204 194 HG2 LYS 23 HG1 LYS 23 -10.205 -2.669 -26.080 195 HG3 LYS 23 HG2 LYS 23 -10.532 -4.350 -26.576 196 HD2 LYS 23 HD1 LYS 23 -11.181 -1.987 -28.444 197 HD3 LYS 23 HD2 LYS 23 -9.528 -2.637 -28.302 198 HE2 LYS 23 HE1 LYS 23 -10.660 -3.616 -30.268 199 HE3 LYS 23 HE2 LYS 23 -10.219 -4.882 -29.057 200 HZ1 LYS 23 HZ1 LYS 23 -12.926 -3.656 -29.275 201 HZ2 LYS 23 HZ2 LYS 23 -12.457 -4.967 -28.324 202 HZ3 LYS 23 HZ3 LYS 23 -12.477 -5.121 -30.008 203 H CYS 24 HN CYS 24 -14.577 -5.303 -24.001 204 HA CYS 24 HA CYS 24 -16.748 -5.393 -24.097 205 HB2 CYS 24 HB1 CYS 24 -17.989 -4.015 -22.514 206 HB3 CYS 24 HB2 CYS 24 -16.431 -4.571 -21.855 Start of MODEL 20 1 H1 PHE 1 HN PHE 1 -0.347 1.241 0.245 2 HA PHE 1 HA PHE 1 1.960 0.075 -0.126 3 HB2 PHE 1 HB1 PHE 1 0.119 -0.832 -2.429 4 HB3 PHE 1 HB2 PHE 1 1.926 -0.913 -2.547 5 HD1 PHE 1 HD1 PHE 1 -1.071 -2.445 -1.095 6 HD2 PHE 1 HD2 PHE 1 3.223 -2.357 -1.025 7 HE1 PHE 1 HE1 PHE 1 -1.044 -4.646 0.045 8 HE2 PHE 1 HE2 PHE 1 3.249 -4.554 0.118 9 HZ PHE 1 HZ PHE 1 1.117 -5.701 0.652 10 H LEU 2 HN LEU 2 2.614 0.826 -2.883 11 HA LEU 2 HA LEU 2 2.958 3.520 -2.418 12 HB2 LEU 2 HB1 LEU 2 3.252 1.918 -5.017 13 HB3 LEU 2 HB2 LEU 2 3.738 3.634 -4.844 14 HG LEU 2 HG LEU 2 5.277 2.924 -2.925 15 HD11 LEU 2 HD11 LEU 2 4.802 0.126 -4.154 16 HD12 LEU 2 HD12 LEU 2 4.549 0.613 -2.426 17 HD13 LEU 2 HD13 LEU 2 6.199 0.574 -3.113 18 HD21 LEU 2 HD21 LEU 2 7.076 2.303 -4.528 19 HD22 LEU 2 HD22 LEU 2 6.044 3.623 -5.187 20 HD23 LEU 2 HD23 LEU 2 5.844 1.930 -5.788 21 HA PRO 3 HA PRO 3 -0.882 5.158 -3.896 22 HB2 PRO 3 HB1 PRO 3 -0.276 7.882 -4.266 23 HB3 PRO 3 HB2 PRO 3 -0.371 7.096 -2.646 24 HG2 PRO 3 HG1 PRO 3 2.161 7.527 -4.332 25 HG3 PRO 3 HG2 PRO 3 1.877 7.998 -2.604 26 HD2 PRO 3 HD1 PRO 3 3.145 5.650 -3.201 27 HD3 PRO 3 HD2 PRO 3 1.881 5.675 -1.890 28 H ILE 4 HN ILE 4 1.804 4.928 -5.876 29 HA ILE 4 HA ILE 4 0.891 5.877 -8.361 30 HB ILE 4 HB ILE 4 2.622 3.434 -7.735 31 HG12 ILE 4 HG11 ILE 4 3.465 6.348 -8.279 32 HG13 ILE 4 HG12 ILE 4 3.481 5.568 -6.669 33 HG21 ILE 4 HG21 ILE 4 2.351 5.160 -10.299 34 HG22 ILE 4 HG22 ILE 4 3.512 3.803 -10.066 35 HG23 ILE 4 HG23 ILE 4 1.759 3.465 -10.111 36 HD11 ILE 4 HD1 ILE 4 5.214 4.745 -9.082 37 HD12 ILE 4 HD2 ILE 4 5.749 5.512 -7.550 38 HD13 ILE 4 HD3 ILE 4 5.112 3.828 -7.534 39 H LEU 5 HN LEU 5 0.269 2.793 -6.592 40 HA LEU 5 HA LEU 5 -1.136 1.525 -8.678 41 HB2 LEU 5 HB1 LEU 5 -1.347 1.145 -5.639 42 HB3 LEU 5 HB2 LEU 5 -1.937 -0.005 -6.881 43 HG LEU 5 HG LEU 5 0.994 0.787 -6.376 44 HD11 LEU 5 HD11 LEU 5 -0.033 -0.613 -4.586 45 HD12 LEU 5 HD12 LEU 5 1.225 -1.525 -5.506 46 HD13 LEU 5 HD13 LEU 5 -0.523 -1.836 -5.814 47 HD21 LEU 5 HD21 LEU 5 1.549 -1.107 -7.939 48 HD22 LEU 5 HD22 LEU 5 0.695 0.228 -8.791 49 HD23 LEU 5 HD23 LEU 5 -0.197 -1.279 -8.341 50 H ALA 6 HN ALA 6 -2.311 3.538 -5.930 51 HA ALA 6 HA ALA 6 -5.036 3.415 -6.598 52 HB1 ALA 6 HB1 ALA 6 -3.418 5.642 -5.205 53 HB2 ALA 6 HB2 ALA 6 -5.212 5.454 -5.148 54 HB3 ALA 6 HB3 ALA 6 -4.154 4.213 -4.396 55 H SER 7 HN SER 7 -2.489 5.692 -7.631 56 HA SER 7 HA SER 7 -4.109 7.334 -9.216 57 HB2 SER 7 HB1 SER 7 -1.654 7.698 -8.449 58 HB3 SER 7 HB2 SER 7 -1.169 6.696 -9.844 59 HG SER 7 HG1 SER 7 -2.302 9.244 -9.696 60 H LEU 8 HN LEU 8 -2.348 4.333 -10.171 61 HA LEU 8 HA LEU 8 -3.244 4.323 -12.864 62 HB2 LEU 8 HB1 LEU 8 -2.353 2.091 -10.959 63 HB3 LEU 8 HB2 LEU 8 -2.682 1.818 -12.698 64 HG LEU 8 HG LEU 8 -0.556 3.774 -11.651 65 HD11 LEU 8 HD11 LEU 8 1.101 2.006 -12.237 66 HD12 LEU 8 HD12 LEU 8 -0.241 0.871 -12.642 67 HD13 LEU 8 HD13 LEU 8 -0.028 1.449 -10.948 68 HD21 LEU 8 HD21 LEU 8 -1.046 2.572 -14.450 69 HD22 LEU 8 HD22 LEU 8 0.347 3.610 -13.981 70 HD23 LEU 8 HD23 LEU 8 -1.323 4.293 -13.975 71 H ALA 9 HN ALA 9 -4.619 2.808 -9.885 72 HA ALA 9 HA ALA 9 -6.694 1.464 -11.109 73 HB1 ALA 9 HB1 ALA 9 -7.686 1.389 -8.814 74 HB2 ALA 9 HB2 ALA 9 -5.911 1.093 -8.760 75 HB3 ALA 9 HB3 ALA 9 -6.564 2.703 -8.295 76 H ALA 10 HN ALA 10 -6.731 4.854 -9.835 77 HA ALA 10 HA ALA 10 -9.409 5.357 -10.426 78 HB1 ALA 10 HB1 ALA 10 -6.980 7.256 -10.483 79 HB2 ALA 10 HB2 ALA 10 -8.710 7.769 -10.346 80 HB3 ALA 10 HB3 ALA 10 -7.940 6.818 -9.027 81 H LYS 11 HN LYS 11 -6.560 5.722 -12.572 82 HA LYS 11 HA LYS 11 -8.058 6.820 -14.751 83 HB2 LYS 11 HB1 LYS 11 -5.301 5.502 -14.547 84 HB3 LYS 11 HB2 LYS 11 -5.888 6.308 -16.037 85 HG2 LYS 11 HG1 LYS 11 -5.879 8.487 -15.019 86 HG3 LYS 11 HG2 LYS 11 -5.837 7.804 -13.367 87 HD2 LYS 11 HD1 LYS 11 -3.582 6.824 -13.824 88 HD3 LYS 11 HD2 LYS 11 -3.504 7.732 -15.371 89 HE2 LYS 11 HE1 LYS 11 -3.481 9.880 -14.220 90 HE3 LYS 11 HE2 LYS 11 -4.099 9.153 -12.684 91 HZ1 LYS 11 HZ1 LYS 11 -2.116 8.447 -12.094 92 HZ2 LYS 11 HZ2 LYS 11 -1.556 9.693 -13.067 93 HZ3 LYS 11 HZ3 LYS 11 -1.568 8.091 -13.658 94 H PHE 12 HN PHE 12 -6.833 3.490 -14.090 95 HA PHE 12 HA PHE 12 -8.046 2.668 -16.649 96 HB2 PHE 12 HB1 PHE 12 -5.926 1.333 -14.862 97 HB3 PHE 12 HB2 PHE 12 -6.497 0.694 -16.455 98 HD1 PHE 12 HD1 PHE 12 -3.916 2.501 -14.969 99 HD2 PHE 12 HD2 PHE 12 -6.522 2.631 -18.380 100 HE1 PHE 12 HE1 PHE 12 -2.275 3.922 -16.175 101 HE2 PHE 12 HE2 PHE 12 -4.895 4.058 -19.574 102 HZ PHE 12 HZ PHE 12 -2.769 4.706 -18.474 103 H GLY 13 HN GLY 13 -8.701 2.312 -13.255 104 HA2 GLY 13 HA1 GLY 13 -9.762 -0.165 -12.990 105 HA3 GLY 13 HA2 GLY 13 -10.386 1.327 -12.222 106 HA PRO 14 HA PRO 14 -14.054 0.791 -14.535 107 HB2 PRO 14 HB1 PRO 14 -14.641 3.101 -16.041 108 HB3 PRO 14 HB2 PRO 14 -14.704 3.035 -14.240 109 HG2 PRO 14 HG1 PRO 14 -12.331 3.973 -15.955 110 HG3 PRO 14 HG2 PRO 14 -13.128 4.849 -14.583 111 HD2 PRO 14 HD1 PRO 14 -10.879 3.393 -14.171 112 HD3 PRO 14 HD2 PRO 14 -12.234 3.269 -12.966 113 H LYS 15 HN LYS 15 -11.195 1.056 -16.380 114 HA LYS 15 HA LYS 15 -12.566 -0.116 -18.727 115 HB2 LYS 15 HB1 LYS 15 -9.805 1.174 -18.490 116 HB3 LYS 15 HB2 LYS 15 -10.459 0.440 -19.983 117 HG2 LYS 15 HG1 LYS 15 -11.639 2.929 -18.560 118 HG3 LYS 15 HG2 LYS 15 -10.476 2.935 -19.906 119 HD2 LYS 15 HD1 LYS 15 -12.416 3.316 -21.044 120 HD3 LYS 15 HD2 LYS 15 -12.226 1.547 -21.262 121 HE2 LYS 15 HE1 LYS 15 -13.972 1.165 -19.459 122 HE3 LYS 15 HE2 LYS 15 -14.083 2.950 -19.190 123 HZ1 LYS 15 HZ1 LYS 15 -15.836 2.111 -20.582 124 HZ2 LYS 15 HZ2 LYS 15 -14.736 1.474 -21.698 125 HZ3 LYS 15 HZ3 LYS 15 -14.848 3.156 -21.484 126 H LEU 16 HN LEU 16 -10.840 -1.044 -15.937 127 HA LEU 16 HA LEU 16 -9.220 -3.069 -16.969 128 HB2 LEU 16 HB1 LEU 16 -9.191 -2.026 -14.689 129 HB3 LEU 16 HB2 LEU 16 -10.674 -2.909 -14.253 130 HG LEU 16 HG LEU 16 -8.105 -4.344 -15.159 131 HD11 LEU 16 HD11 LEU 16 -7.461 -4.519 -12.755 132 HD12 LEU 16 HD12 LEU 16 -8.854 -3.474 -12.297 133 HD13 LEU 16 HD13 LEU 16 -7.510 -2.800 -13.293 134 HD21 LEU 16 HD21 LEU 16 -10.472 -5.224 -13.372 135 HD22 LEU 16 HD22 LEU 16 -8.976 -6.184 -13.650 136 HD23 LEU 16 HD23 LEU 16 -10.087 -5.856 -15.020 137 H PHE 17 HN PHE 17 -12.581 -3.176 -15.790 138 HA PHE 17 HA PHE 17 -13.198 -5.803 -16.378 139 HB2 PHE 17 HB1 PHE 17 -15.085 -3.356 -16.604 140 HB3 PHE 17 HB2 PHE 17 -15.573 -5.063 -16.272 141 HD1 PHE 17 HD1 PHE 17 -14.493 -1.928 -14.823 142 HD2 PHE 17 HD2 PHE 17 -14.604 -6.175 -14.154 143 HE1 PHE 17 HE1 PHE 17 -14.088 -1.560 -12.413 144 HE2 PHE 17 HE2 PHE 17 -14.212 -5.799 -11.737 145 HZ PHE 17 HZ PHE 17 -13.951 -3.494 -10.867 146 H CYS 18 HN CYS 18 -13.279 -2.949 -18.508 147 HA CYS 18 HA CYS 18 -14.289 -4.303 -20.800 148 HB2 CYS 18 HB1 CYS 18 -12.541 -1.786 -20.568 149 HB3 CYS 18 HB2 CYS 18 -13.191 -2.392 -22.110 150 H LEU 19 HN LEU 19 -10.866 -3.696 -19.733 151 HA LEU 19 HA LEU 19 -9.698 -4.783 -22.024 152 HB2 LEU 19 HB1 LEU 19 -8.717 -4.543 -19.136 153 HB3 LEU 19 HB2 LEU 19 -7.663 -5.134 -20.457 154 HG LEU 19 HG LEU 19 -9.033 -2.387 -20.505 155 HD11 LEU 19 HD11 LEU 19 -6.817 -1.455 -19.837 156 HD12 LEU 19 HD12 LEU 19 -6.169 -3.126 -19.636 157 HD13 LEU 19 HD13 LEU 19 -7.489 -2.535 -18.560 158 HD21 LEU 19 HD21 LEU 19 -6.714 -3.575 -22.157 159 HD22 LEU 19 HD22 LEU 19 -7.295 -1.872 -22.238 160 HD23 LEU 19 HD23 LEU 19 -8.376 -3.214 -22.767 161 H VAL 20 HN VAL 20 -10.569 -6.467 -18.964 162 HA VAL 20 HA VAL 20 -9.770 -9.034 -19.812 163 HB VAL 20 HB VAL 20 -12.002 -8.164 -17.911 164 HG11 VAL 20 HG11 VAL 20 -11.707 -10.496 -16.942 165 HG12 VAL 20 HG12 VAL 20 -12.378 -10.541 -18.607 166 HG13 VAL 20 HG13 VAL 20 -10.635 -10.917 -18.326 167 HG21 VAL 20 HG21 VAL 20 -9.061 -9.016 -17.437 168 HG22 VAL 20 HG22 VAL 20 -9.716 -7.349 -17.228 169 HG23 VAL 20 HG23 VAL 20 -10.271 -8.673 -16.150 170 H THR 21 HN THR 21 -12.871 -7.290 -20.245 171 HA THR 21 HA THR 21 -14.010 -9.519 -21.708 172 HB THR 21 HB THR 21 -15.323 -6.796 -21.430 173 HG1 THR 21 HG1 THR 21 -14.851 -7.390 -19.376 174 HG21 THR 21 HG21 THR 21 -16.422 -8.547 -22.942 175 HG22 THR 21 HG22 THR 21 -17.379 -8.256 -21.447 176 HG23 THR 21 HG23 THR 21 -16.355 -9.726 -21.574 177 H LYS 22 HN LYS 22 -11.780 -8.748 -23.075 178 HA LYS 22 HA LYS 22 -11.064 -8.465 -25.154 179 HB2 LYS 22 HB1 LYS 22 -13.168 -9.951 -25.400 180 HB3 LYS 22 HB2 LYS 22 -13.975 -8.502 -26.057 181 HG2 LYS 22 HG1 LYS 22 -12.119 -8.451 -27.871 182 HG3 LYS 22 HG2 LYS 22 -11.565 -10.036 -27.238 183 HD2 LYS 22 HD1 LYS 22 -13.816 -11.013 -27.732 184 HD3 LYS 22 HD2 LYS 22 -14.420 -9.391 -28.212 185 HE2 LYS 22 HE1 LYS 22 -12.760 -9.343 -30.131 186 HE3 LYS 22 HE2 LYS 22 -12.236 -11.019 -29.694 187 HZ1 LYS 22 HZ1 LYS 22 -14.992 -10.182 -30.474 188 HZ2 LYS 22 HZ2 LYS 22 -14.515 -11.755 -30.065 189 HZ3 LYS 22 HZ3 LYS 22 -13.886 -11.011 -31.451 190 H LYS 23 HN LYS 23 -11.758 -5.986 -23.685 191 HA LYS 23 HA LYS 23 -11.363 -3.837 -23.919 192 HB2 LYS 23 HB1 LYS 23 -11.707 -3.976 -26.942 193 HB3 LYS 23 HB2 LYS 23 -11.204 -2.543 -26.003 194 HG2 LYS 23 HG1 LYS 23 -9.096 -3.684 -25.318 195 HG3 LYS 23 HG2 LYS 23 -9.614 -5.171 -26.184 196 HD2 LYS 23 HD1 LYS 23 -9.740 -3.880 -28.329 197 HD3 LYS 23 HD2 LYS 23 -9.138 -2.417 -27.483 198 HE2 LYS 23 HE1 LYS 23 -6.964 -3.599 -26.974 199 HE3 LYS 23 HE2 LYS 23 -7.586 -5.091 -27.787 200 HZ1 LYS 23 HZ1 LYS 23 -6.193 -3.783 -29.255 201 HZ2 LYS 23 HZ2 LYS 23 -7.196 -2.429 -29.080 202 HZ3 LYS 23 HZ3 LYS 23 -7.784 -3.824 -29.835 203 H CYS 24 HN CYS 24 -14.061 -5.448 -24.130 204 HA CYS 24 HA CYS 24 -16.171 -5.210 -24.544 205 HB2 CYS 24 HB1 CYS 24 -17.422 -3.864 -23.016 206 HB3 CYS 24 HB2 CYS 24 -15.987 -4.546 -22.214
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