NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
642891 | 6g4k | 34251 | 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 4.993 -1.048 -0.920 2 HA PHE 1 HA PHE 1 2.621 -0.721 -0.390 3 HB2 PHE 1 HB1 PHE 1 4.103 1.821 -1.368 4 HB3 PHE 1 HB2 PHE 1 2.677 1.817 -0.258 5 HD1 PHE 1 HD1 PHE 1 2.876 0.454 1.923 6 HD2 PHE 1 HD2 PHE 1 6.266 1.619 -0.447 7 HE1 PHE 1 HE1 PHE 1 4.356 0.129 3.880 8 HE2 PHE 1 HE2 PHE 1 7.746 1.295 1.515 9 HZ PHE 1 HZ PHE 1 6.791 0.548 3.678 10 H LEU 2 HN LEU 2 3.680 0.293 -3.603 11 HA LEU 2 HA LEU 2 0.838 0.634 -4.411 12 HB2 LEU 2 HB1 LEU 2 3.378 1.742 -5.693 13 HB3 LEU 2 HB2 LEU 2 1.709 1.979 -6.308 14 HG LEU 2 HG LEU 2 2.784 2.969 -3.599 15 HD11 LEU 2 HD11 LEU 2 2.168 4.513 -6.197 16 HD12 LEU 2 HD12 LEU 2 3.811 4.152 -5.539 17 HD13 LEU 2 HD13 LEU 2 2.690 5.229 -4.627 18 HD21 LEU 2 HD21 LEU 2 0.677 4.326 -3.509 19 HD22 LEU 2 HD22 LEU 2 0.338 2.565 -3.451 20 HD23 LEU 2 HD23 LEU 2 0.072 3.487 -4.984 21 HA PRO 3 HA PRO 3 2.424 -3.018 -6.608 22 HB2 PRO 3 HB1 PRO 3 0.296 -4.724 -6.409 23 HB3 PRO 3 HB2 PRO 3 1.186 -4.184 -4.937 24 HG2 PRO 3 HG1 PRO 3 -1.399 -2.953 -6.061 25 HG3 PRO 3 HG2 PRO 3 -1.107 -3.582 -4.382 26 HD2 PRO 3 HD1 PRO 3 -0.773 -0.903 -4.982 27 HD3 PRO 3 HD2 PRO 3 0.363 -1.772 -3.860 28 H ILE 4 HN ILE 4 2.191 -1.118 -8.286 29 HA ILE 4 HA ILE 4 -0.031 -0.858 -9.879 30 HB ILE 4 HB ILE 4 1.659 0.827 -9.656 31 HG12 ILE 4 HG11 ILE 4 1.339 0.019 -12.608 32 HG13 ILE 4 HG12 ILE 4 0.055 0.769 -11.609 33 HG21 ILE 4 HG21 ILE 4 3.481 -0.880 -11.478 34 HG22 ILE 4 HG22 ILE 4 3.833 0.735 -10.786 35 HG23 ILE 4 HG23 ILE 4 3.706 -0.675 -9.692 36 HD11 ILE 4 HD1 ILE 4 1.547 2.777 -11.213 37 HD12 ILE 4 HD2 ILE 4 2.789 2.046 -12.293 38 HD13 ILE 4 HD3 ILE 4 1.184 2.509 -12.956 39 H LEU 5 HN LEU 5 2.793 -2.976 -10.636 40 HA LEU 5 HA LEU 5 1.841 -3.773 -13.150 41 HB2 LEU 5 HB1 LEU 5 3.576 -5.359 -11.169 42 HB3 LEU 5 HB2 LEU 5 3.430 -5.679 -12.925 43 HG LEU 5 HG LEU 5 4.620 -3.136 -11.656 44 HD11 LEU 5 HD11 LEU 5 6.790 -4.024 -12.479 45 HD12 LEU 5 HD12 LEU 5 5.971 -5.511 -13.081 46 HD13 LEU 5 HD13 LEU 5 6.028 -5.167 -11.312 47 HD21 LEU 5 HD21 LEU 5 3.616 -2.600 -13.876 48 HD22 LEU 5 HD22 LEU 5 4.459 -4.018 -14.611 49 HD23 LEU 5 HD23 LEU 5 5.411 -2.625 -13.984 50 H ALA 6 HN ALA 6 1.275 -5.253 -9.935 51 HA ALA 6 HA ALA 6 -0.274 -7.424 -10.871 52 HB1 ALA 6 HB1 ALA 6 -0.946 -7.621 -8.464 53 HB2 ALA 6 HB2 ALA 6 0.824 -7.350 -8.615 54 HB3 ALA 6 HB3 ALA 6 -0.254 -5.986 -8.143 55 H SER 7 HN SER 7 -1.167 -4.128 -9.780 56 HA SER 7 HA SER 7 -3.949 -4.445 -10.056 57 HB2 SER 7 HB1 SER 7 -2.704 -2.533 -8.887 58 HB3 SER 7 HB2 SER 7 -2.417 -1.826 -10.511 59 HG SER 7 HG1 SER 7 -4.321 -1.008 -9.530 60 H LEU 8 HN LEU 8 -1.521 -3.274 -12.477 61 HA LEU 8 HA LEU 8 -3.336 -2.843 -14.544 62 HB2 LEU 8 HB1 LEU 8 -0.384 -3.238 -14.240 63 HB3 LEU 8 HB2 LEU 8 -1.001 -3.619 -15.867 64 HG LEU 8 HG LEU 8 -0.124 -1.303 -15.585 65 HD11 LEU 8 HD11 LEU 8 -3.077 -1.442 -16.443 66 HD12 LEU 8 HD12 LEU 8 -1.664 -1.954 -17.445 67 HD13 LEU 8 HD13 LEU 8 -1.854 -0.228 -16.961 68 HD21 LEU 8 HD21 LEU 8 -1.031 -0.748 -13.312 69 HD22 LEU 8 HD22 LEU 8 -2.704 -0.720 -13.992 70 HD23 LEU 8 HD23 LEU 8 -1.483 0.473 -14.556 71 H ALA 9 HN ALA 9 -1.493 -5.888 -13.803 72 HA ALA 9 HA ALA 9 -2.650 -7.335 -15.916 73 HB1 ALA 9 HB1 ALA 9 -1.516 -8.287 -13.214 74 HB2 ALA 9 HB2 ALA 9 -1.761 -9.325 -14.674 75 HB3 ALA 9 HB3 ALA 9 -0.561 -7.983 -14.706 76 H ALA 10 HN ALA 10 -3.697 -7.164 -12.449 77 HA ALA 10 HA ALA 10 -5.807 -9.078 -13.077 78 HB1 ALA 10 HB1 ALA 10 -5.936 -9.326 -10.613 79 HB2 ALA 10 HB2 ALA 10 -4.237 -9.467 -11.187 80 HB3 ALA 10 HB3 ALA 10 -4.785 -7.939 -10.415 81 H LYS 11 HN LYS 11 -5.753 -5.692 -13.055 82 HA LYS 11 HA LYS 11 -8.700 -5.764 -12.744 83 HB2 LYS 11 HB1 LYS 11 -6.865 -3.576 -11.586 84 HB3 LYS 11 HB2 LYS 11 -8.642 -3.458 -11.763 85 HG2 LYS 11 HG1 LYS 11 -8.605 -4.100 -9.584 86 HG3 LYS 11 HG2 LYS 11 -8.679 -5.711 -10.379 87 HD2 LYS 11 HD1 LYS 11 -5.999 -5.533 -10.252 88 HD3 LYS 11 HD2 LYS 11 -6.307 -4.314 -8.997 89 HE2 LYS 11 HE1 LYS 11 -7.226 -7.287 -9.039 90 HE3 LYS 11 HE2 LYS 11 -5.923 -6.586 -7.998 91 HZ1 LYS 11 HZ1 LYS 11 -8.008 -6.847 -6.809 92 HZ2 LYS 11 HZ2 LYS 11 -8.808 -5.864 -7.936 93 HZ3 LYS 11 HZ3 LYS 11 -7.604 -5.202 -6.942 94 H PHE 12 HN PHE 12 -5.890 -4.416 -14.531 95 HA PHE 12 HA PHE 12 -7.824 -2.822 -16.087 96 HB2 PHE 12 HB1 PHE 12 -4.767 -2.808 -16.000 97 HB3 PHE 12 HB2 PHE 12 -5.704 -1.970 -17.268 98 HD1 PHE 12 HD1 PHE 12 -5.955 0.278 -16.993 99 HD2 PHE 12 HD2 PHE 12 -5.736 -2.175 -13.471 100 HE1 PHE 12 HE1 PHE 12 -6.077 2.302 -15.567 101 HE2 PHE 12 HE2 PHE 12 -5.881 -0.173 -12.060 102 HZ PHE 12 HZ PHE 12 -6.053 2.077 -13.096 103 H GLY 13 HN GLY 13 -6.589 -5.987 -16.280 104 HA2 GLY 13 HA1 GLY 13 -5.793 -6.397 -18.799 105 HA3 GLY 13 HA2 GLY 13 -6.890 -7.515 -17.937 106 HA PRO 14 HA PRO 14 -9.769 -6.608 -21.147 107 HB2 PRO 14 HB1 PRO 14 -12.299 -6.179 -20.028 108 HB3 PRO 14 HB2 PRO 14 -11.446 -7.764 -19.947 109 HG2 PRO 14 HG1 PRO 14 -11.470 -5.568 -17.800 110 HG3 PRO 14 HG2 PRO 14 -11.835 -7.330 -17.595 111 HD2 PRO 14 HD1 PRO 14 -9.336 -6.317 -17.047 112 HD3 PRO 14 HD2 PRO 14 -9.506 -7.926 -17.886 113 H LYS 15 HN LYS 15 -9.504 -4.091 -18.759 114 HA LYS 15 HA LYS 15 -10.791 -2.007 -20.223 115 HB2 LYS 15 HB1 LYS 15 -10.348 -2.040 -17.726 116 HB3 LYS 15 HB2 LYS 15 -8.608 -1.822 -18.070 117 HG2 LYS 15 HG1 LYS 15 -9.093 0.384 -19.152 118 HG3 LYS 15 HG2 LYS 15 -10.850 0.142 -18.849 119 HD2 LYS 15 HD1 LYS 15 -10.372 0.037 -16.352 120 HD3 LYS 15 HD2 LYS 15 -8.636 0.216 -16.691 121 HE2 LYS 15 HE1 LYS 15 -9.501 2.374 -15.915 122 HE3 LYS 15 HE2 LYS 15 -9.032 2.520 -17.656 123 HZ1 LYS 15 HZ1 LYS 15 -11.175 3.531 -17.201 124 HZ2 LYS 15 HZ2 LYS 15 -11.787 2.064 -16.609 125 HZ3 LYS 15 HZ3 LYS 15 -11.353 2.201 -18.241 126 H LEU 16 HN LEU 16 -7.429 -3.168 -20.012 127 HA LEU 16 HA LEU 16 -6.208 -1.373 -21.742 128 HB2 LEU 16 HB1 LEU 16 -5.058 -2.922 -20.146 129 HB3 LEU 16 HB2 LEU 16 -5.585 -4.317 -21.124 130 HG LEU 16 HG LEU 16 -4.204 -3.487 -23.049 131 HD11 LEU 16 HD11 LEU 16 -3.280 -1.296 -21.076 132 HD12 LEU 16 HD12 LEU 16 -4.183 -1.038 -22.624 133 HD13 LEU 16 HD13 LEU 16 -2.504 -1.678 -22.656 134 HD21 LEU 16 HD21 LEU 16 -2.662 -3.756 -20.392 135 HD22 LEU 16 HD22 LEU 16 -1.992 -4.023 -22.044 136 HD23 LEU 16 HD23 LEU 16 -3.276 -5.115 -21.407 137 H PHE 17 HN PHE 17 -7.755 -4.564 -22.435 138 HA PHE 17 HA PHE 17 -7.339 -4.508 -25.200 139 HB2 PHE 17 HB1 PHE 17 -8.110 -6.509 -23.826 140 HB3 PHE 17 HB2 PHE 17 -9.735 -5.745 -23.690 141 HD1 PHE 17 HD1 PHE 17 -11.284 -5.959 -25.500 142 HD2 PHE 17 HD2 PHE 17 -7.159 -6.979 -26.136 143 HE1 PHE 17 HE1 PHE 17 -11.853 -6.884 -27.731 144 HE2 PHE 17 HE2 PHE 17 -7.730 -7.902 -28.362 145 HZ PHE 17 HZ PHE 17 -10.077 -7.854 -29.160 146 H CYS 18 HN CYS 18 -10.107 -3.220 -23.284 147 HA CYS 18 HA CYS 18 -11.522 -2.235 -25.484 148 HB2 CYS 18 HB1 CYS 18 -12.341 -2.582 -23.091 149 HB3 CYS 18 HB2 CYS 18 -11.496 -1.080 -22.637 150 H LEU 19 HN LEU 19 -9.054 -0.474 -23.498 151 HA LEU 19 HA LEU 19 -9.405 1.883 -25.037 152 HB2 LEU 19 HB1 LEU 19 -7.698 2.934 -23.815 153 HB3 LEU 19 HB2 LEU 19 -8.659 1.913 -22.711 154 HG LEU 19 HG LEU 19 -6.706 0.135 -23.168 155 HD11 LEU 19 HD11 LEU 19 -5.261 2.841 -23.573 156 HD12 LEU 19 HD12 LEU 19 -5.376 1.518 -24.795 157 HD13 LEU 19 HD13 LEU 19 -4.462 1.256 -23.271 158 HD21 LEU 19 HD21 LEU 19 -6.433 2.561 -21.281 159 HD22 LEU 19 HD22 LEU 19 -5.579 0.982 -21.107 160 HD23 LEU 19 HD23 LEU 19 -7.375 1.049 -20.957 161 H VAL 20 HN VAL 20 -7.150 -0.900 -25.534 162 HA VAL 20 HA VAL 20 -5.759 0.508 -27.559 163 HB VAL 20 HB VAL 20 -4.799 -1.396 -26.373 164 HG11 VAL 20 HG11 VAL 20 -6.469 -3.105 -28.342 165 HG12 VAL 20 HG12 VAL 20 -5.176 -3.678 -27.236 166 HG13 VAL 20 HG13 VAL 20 -6.700 -3.013 -26.550 167 HG21 VAL 20 HG21 VAL 20 -3.805 -0.353 -28.429 168 HG22 VAL 20 HG22 VAL 20 -3.520 -2.129 -28.383 169 HG23 VAL 20 HG23 VAL 20 -4.783 -1.461 -29.469 170 H THR 21 HN THR 21 -8.636 -1.731 -27.829 171 HA THR 21 HA THR 21 -8.694 -1.403 -30.661 172 HB THR 21 HB THR 21 -10.845 -2.538 -30.648 173 HG1 THR 21 HG1 THR 21 -11.592 -3.279 -28.620 174 HG21 THR 21 HG21 THR 21 -10.104 -4.670 -29.621 175 HG22 THR 21 HG22 THR 21 -8.875 -3.821 -28.628 176 HG23 THR 21 HG23 THR 21 -8.703 -3.873 -30.423 177 H LYS 22 HN LYS 22 -10.033 0.431 -28.048 178 HA LYS 22 HA LYS 22 -10.937 2.454 -27.956 179 HB2 LYS 22 HB1 LYS 22 -11.275 2.559 -30.994 180 HB3 LYS 22 HB2 LYS 22 -11.409 3.932 -29.862 181 HG2 LYS 22 HG1 LYS 22 -8.844 2.331 -30.448 182 HG3 LYS 22 HG2 LYS 22 -9.303 3.848 -31.265 183 HD2 LYS 22 HD1 LYS 22 -9.177 5.152 -29.232 184 HD3 LYS 22 HD2 LYS 22 -8.972 3.707 -28.203 185 HE2 LYS 22 HE1 LYS 22 -6.938 4.590 -30.375 186 HE3 LYS 22 HE2 LYS 22 -6.806 4.982 -28.610 187 HZ1 LYS 22 HZ1 LYS 22 -6.926 2.223 -29.762 188 HZ2 LYS 22 HZ2 LYS 22 -6.889 2.618 -28.153 189 HZ3 LYS 22 HZ3 LYS 22 -5.552 2.990 -29.140 190 H LYS 23 HN LYS 23 -12.322 -0.277 -28.527 191 HA LYS 23 HA LYS 23 -15.092 0.723 -28.747 192 HB2 LYS 23 HB1 LYS 23 -13.806 0.560 -31.033 193 HB3 LYS 23 HB2 LYS 23 -13.762 -1.197 -30.773 194 HG2 LYS 23 HG1 LYS 23 -16.316 -1.191 -30.808 195 HG3 LYS 23 HG2 LYS 23 -16.262 0.587 -31.079 196 HD2 LYS 23 HD1 LYS 23 -14.896 0.149 -33.206 197 HD3 LYS 23 HD2 LYS 23 -14.992 -1.595 -32.867 198 HE2 LYS 23 HE1 LYS 23 -16.624 -1.068 -34.614 199 HE3 LYS 23 HE2 LYS 23 -17.516 -1.521 -33.106 200 HZ1 LYS 23 HZ1 LYS 23 -16.943 1.248 -34.052 201 HZ2 LYS 23 HZ2 LYS 23 -17.772 0.832 -32.634 202 HZ3 LYS 23 HZ3 LYS 23 -18.436 0.447 -34.151 203 H CYS 24 HN CYS 24 -13.024 -1.337 -27.233 204 HA CYS 24 HA CYS 24 -13.062 -3.315 -26.274 205 HB2 CYS 24 HB2 CYS 24 -16.102 -3.052 -26.263 206 HB3 CYS 24 HB1 CYS 24 -15.164 -4.264 -25.329 Start of MODEL 2 1 H1 PHE 1 HN PHE 1 -0.069 0.111 -0.258 2 HA PHE 1 HA PHE 1 2.451 0.984 -0.681 3 HB2 PHE 1 HB1 PHE 1 3.146 -1.357 0.080 4 HB3 PHE 1 HB2 PHE 1 2.244 -2.046 -1.310 5 HD1 PHE 1 HD1 PHE 1 3.502 -2.469 -3.249 6 HD2 PHE 1 HD2 PHE 1 4.884 0.568 -0.544 7 HE1 PHE 1 HE1 PHE 1 5.479 -2.080 -4.696 8 HE2 PHE 1 HE2 PHE 1 6.859 0.953 -1.983 9 HZ PHE 1 HZ PHE 1 7.155 -0.362 -4.065 10 H LEU 2 HN LEU 2 2.975 0.498 -3.261 11 HA LEU 2 HA LEU 2 0.436 0.957 -4.683 12 HB2 LEU 2 HB1 LEU 2 1.831 2.190 -6.353 13 HB3 LEU 2 HB2 LEU 2 1.666 2.968 -4.758 14 HG LEU 2 HG LEU 2 4.125 1.245 -5.199 15 HD11 LEU 2 HD11 LEU 2 5.310 3.120 -6.327 16 HD12 LEU 2 HD12 LEU 2 3.769 4.051 -6.423 17 HD13 LEU 2 HD13 LEU 2 3.948 2.500 -7.334 18 HD21 LEU 2 HD21 LEU 2 3.681 3.993 -3.849 19 HD22 LEU 2 HD22 LEU 2 5.213 3.047 -3.855 20 HD23 LEU 2 HD23 LEU 2 3.772 2.417 -2.982 21 HA PRO 3 HA PRO 3 2.320 -2.872 -6.516 22 HB2 PRO 3 HB1 PRO 3 0.225 -4.638 -6.375 23 HB3 PRO 3 HB2 PRO 3 1.145 -4.162 -4.900 24 HG2 PRO 3 HG1 PRO 3 -1.483 -2.909 -5.892 25 HG3 PRO 3 HG2 PRO 3 -1.150 -3.637 -4.264 26 HD2 PRO 3 HD1 PRO 3 -0.862 -0.920 -4.705 27 HD3 PRO 3 HD2 PRO 3 0.306 -1.837 -3.656 28 H ILE 4 HN ILE 4 2.026 -0.944 -8.164 29 HA ILE 4 HA ILE 4 -0.151 -0.760 -9.825 30 HB ILE 4 HB ILE 4 1.485 0.974 -9.563 31 HG12 ILE 4 HG11 ILE 4 1.300 0.136 -12.518 32 HG13 ILE 4 HG12 ILE 4 -0.047 0.848 -11.576 33 HG21 ILE 4 HG21 ILE 4 3.570 -0.462 -9.507 34 HG22 ILE 4 HG22 ILE 4 3.414 -0.710 -11.295 35 HG23 ILE 4 HG23 ILE 4 3.700 0.928 -10.625 36 HD11 ILE 4 HD1 ILE 4 1.078 2.618 -12.891 37 HD12 ILE 4 HD2 ILE 4 1.361 2.908 -11.135 38 HD13 ILE 4 HD3 ILE 4 2.669 2.211 -12.159 39 H LEU 5 HN LEU 5 2.735 -2.827 -10.425 40 HA LEU 5 HA LEU 5 1.930 -3.695 -12.967 41 HB2 LEU 5 HB1 LEU 5 3.570 -5.210 -10.854 42 HB3 LEU 5 HB2 LEU 5 3.523 -5.576 -12.607 43 HG LEU 5 HG LEU 5 4.614 -2.987 -11.343 44 HD11 LEU 5 HD11 LEU 5 6.835 -3.868 -12.024 45 HD12 LEU 5 HD12 LEU 5 6.067 -5.380 -12.629 46 HD13 LEU 5 HD13 LEU 5 6.025 -4.989 -10.869 47 HD21 LEU 5 HD21 LEU 5 3.727 -2.521 -13.628 48 HD22 LEU 5 HD22 LEU 5 4.625 -3.947 -14.278 49 HD23 LEU 5 HD23 LEU 5 5.525 -2.526 -13.637 50 H ALA 6 HN ALA 6 1.178 -5.089 -9.746 51 HA ALA 6 HA ALA 6 -0.289 -7.301 -10.722 52 HB1 ALA 6 HB1 ALA 6 0.657 -7.155 -8.397 53 HB2 ALA 6 HB2 ALA 6 -0.480 -5.803 -8.036 54 HB3 ALA 6 HB3 ALA 6 -1.115 -7.457 -8.369 55 H SER 7 HN SER 7 -1.275 -3.992 -9.762 56 HA SER 7 HA SER 7 -4.031 -4.302 -10.243 57 HB2 SER 7 HB1 SER 7 -2.924 -2.379 -9.023 58 HB3 SER 7 HB2 SER 7 -2.381 -1.737 -10.610 59 HG SER 7 HG1 SER 7 -4.411 -0.882 -9.746 60 H LEU 8 HN LEU 8 -1.417 -3.247 -12.526 61 HA LEU 8 HA LEU 8 -3.087 -2.900 -14.728 62 HB2 LEU 8 HB1 LEU 8 -0.171 -3.269 -14.209 63 HB3 LEU 8 HB2 LEU 8 -0.667 -3.774 -15.844 64 HG LEU 8 HG LEU 8 0.169 -1.441 -15.696 65 HD11 LEU 8 HD11 LEU 8 -1.268 -2.213 -17.576 66 HD12 LEU 8 HD12 LEU 8 -1.517 -0.466 -17.211 67 HD13 LEU 8 HD13 LEU 8 -2.740 -1.680 -16.680 68 HD21 LEU 8 HD21 LEU 8 -2.475 -0.762 -14.252 69 HD22 LEU 8 HD22 LEU 8 -1.231 0.396 -14.844 70 HD23 LEU 8 HD23 LEU 8 -0.831 -0.743 -13.507 71 H ALA 9 HN ALA 9 -1.317 -5.930 -13.758 72 HA ALA 9 HA ALA 9 -2.397 -7.435 -15.884 73 HB1 ALA 9 HB1 ALA 9 -1.537 -9.389 -14.569 74 HB2 ALA 9 HB2 ALA 9 -0.342 -8.043 -14.602 75 HB3 ALA 9 HB3 ALA 9 -1.335 -8.314 -13.129 76 H ALA 10 HN ALA 10 -3.540 -7.202 -12.448 77 HA ALA 10 HA ALA 10 -5.612 -9.150 -13.103 78 HB1 ALA 10 HB1 ALA 10 -4.051 -9.494 -11.179 79 HB2 ALA 10 HB2 ALA 10 -4.665 -7.988 -10.420 80 HB3 ALA 10 HB3 ALA 10 -5.764 -9.409 -10.642 81 H LYS 11 HN LYS 11 -5.540 -5.775 -13.063 82 HA LYS 11 HA LYS 11 -8.479 -5.728 -12.694 83 HB2 LYS 11 HB1 LYS 11 -6.451 -4.412 -11.068 84 HB3 LYS 11 HB2 LYS 11 -7.294 -3.147 -11.972 85 HG2 LYS 11 HG1 LYS 11 -8.338 -3.369 -9.848 86 HG3 LYS 11 HG2 LYS 11 -9.514 -3.978 -11.046 87 HD2 LYS 11 HD1 LYS 11 -7.637 -6.022 -9.869 88 HD3 LYS 11 HD2 LYS 11 -8.704 -5.252 -8.663 89 HE2 LYS 11 HE1 LYS 11 -10.693 -6.168 -9.533 90 HE3 LYS 11 HE2 LYS 11 -10.020 -6.316 -11.205 91 HZ1 LYS 11 HZ1 LYS 11 -9.076 -7.966 -8.915 92 HZ2 LYS 11 HZ2 LYS 11 -8.668 -8.061 -10.560 93 HZ3 LYS 11 HZ3 LYS 11 -10.235 -8.463 -10.064 94 H PHE 12 HN PHE 12 -5.660 -4.466 -14.553 95 HA PHE 12 HA PHE 12 -7.583 -2.910 -16.146 96 HB2 PHE 12 HB1 PHE 12 -4.521 -2.954 -16.156 97 HB3 PHE 12 HB2 PHE 12 -5.488 -2.141 -17.408 98 HD1 PHE 12 HD1 PHE 12 -4.959 0.078 -17.214 99 HD2 PHE 12 HD2 PHE 12 -5.901 -2.095 -13.623 100 HE1 PHE 12 HE1 PHE 12 -4.744 2.154 -15.891 101 HE2 PHE 12 HE2 PHE 12 -5.734 -0.037 -12.328 102 HZ PHE 12 HZ PHE 12 -5.137 2.103 -13.434 103 H GLY 13 HN GLY 13 -6.447 -6.113 -16.262 104 HA2 GLY 13 HA1 GLY 13 -5.715 -6.611 -18.794 105 HA3 GLY 13 HA2 GLY 13 -6.820 -7.674 -17.877 106 HA PRO 14 HA PRO 14 -9.748 -6.734 -21.047 107 HB2 PRO 14 HB1 PRO 14 -12.244 -6.282 -19.873 108 HB3 PRO 14 HB2 PRO 14 -11.401 -7.873 -19.790 109 HG2 PRO 14 HG1 PRO 14 -11.358 -5.645 -17.677 110 HG3 PRO 14 HG2 PRO 14 -11.741 -7.400 -17.435 111 HD2 PRO 14 HD1 PRO 14 -9.214 -6.408 -16.958 112 HD3 PRO 14 HD2 PRO 14 -9.424 -8.029 -17.767 113 H LYS 15 HN LYS 15 -9.336 -4.241 -18.691 114 HA LYS 15 HA LYS 15 -10.649 -2.100 -20.029 115 HB2 LYS 15 HB1 LYS 15 -10.081 -2.159 -17.599 116 HB3 LYS 15 HB2 LYS 15 -8.341 -2.142 -18.020 117 HG2 LYS 15 HG1 LYS 15 -8.589 0.135 -19.018 118 HG3 LYS 15 HG2 LYS 15 -10.327 0.145 -18.564 119 HD2 LYS 15 HD1 LYS 15 -9.734 -0.143 -16.166 120 HD3 LYS 15 HD2 LYS 15 -8.006 -0.340 -16.596 121 HE2 LYS 15 HE1 LYS 15 -7.937 2.053 -17.427 122 HE3 LYS 15 HE2 LYS 15 -9.656 2.264 -16.896 123 HZ1 LYS 15 HZ1 LYS 15 -7.356 1.483 -15.163 124 HZ2 LYS 15 HZ2 LYS 15 -8.957 1.668 -14.652 125 HZ3 LYS 15 HZ3 LYS 15 -8.088 3.012 -15.217 126 H LEU 16 HN LEU 16 -7.298 -3.372 -20.105 127 HA LEU 16 HA LEU 16 -6.217 -1.562 -21.927 128 HB2 LEU 16 HB1 LEU 16 -4.932 -3.174 -20.504 129 HB3 LEU 16 HB2 LEU 16 -5.602 -4.534 -21.443 130 HG LEU 16 HG LEU 16 -4.429 -3.696 -23.496 131 HD11 LEU 16 HD11 LEU 16 -3.234 -1.562 -21.610 132 HD12 LEU 16 HD12 LEU 16 -4.303 -1.258 -23.038 133 HD13 LEU 16 HD13 LEU 16 -2.656 -1.932 -23.276 134 HD21 LEU 16 HD21 LEU 16 -2.595 -4.049 -21.043 135 HD22 LEU 16 HD22 LEU 16 -2.130 -4.297 -22.767 136 HD23 LEU 16 HD23 LEU 16 -3.354 -5.375 -22.001 137 H PHE 17 HN PHE 17 -7.925 -4.682 -22.503 138 HA PHE 17 HA PHE 17 -7.764 -4.596 -25.297 139 HB2 PHE 17 HB1 PHE 17 -8.391 -6.619 -23.897 140 HB3 PHE 17 HB2 PHE 17 -9.988 -5.856 -23.566 141 HD1 PHE 17 HD1 PHE 17 -11.740 -6.122 -25.147 142 HD2 PHE 17 HD2 PHE 17 -7.704 -6.980 -26.346 143 HE1 PHE 17 HE1 PHE 17 -12.571 -7.028 -27.299 144 HE2 PHE 17 HE2 PHE 17 -8.535 -7.884 -28.496 145 HZ PHE 17 HZ PHE 17 -10.968 -7.911 -28.974 146 H CYS 18 HN CYS 18 -10.379 -3.281 -23.128 147 HA CYS 18 HA CYS 18 -11.852 -2.299 -25.316 148 HB2 CYS 18 HB1 CYS 18 -13.327 -1.214 -23.900 149 HB3 CYS 18 HB2 CYS 18 -12.836 -2.710 -23.067 150 H LEU 19 HN LEU 19 -9.252 -0.608 -23.435 151 HA LEU 19 HA LEU 19 -9.723 1.793 -24.875 152 HB2 LEU 19 HB1 LEU 19 -7.889 2.801 -23.844 153 HB3 LEU 19 HB2 LEU 19 -8.737 1.773 -22.656 154 HG LEU 19 HG LEU 19 -6.851 -0.008 -23.334 155 HD11 LEU 19 HD11 LEU 19 -5.705 1.433 -25.074 156 HD12 LEU 19 HD12 LEU 19 -4.629 1.098 -23.674 157 HD13 LEU 19 HD13 LEU 19 -5.435 2.701 -23.825 158 HD21 LEU 19 HD21 LEU 19 -7.293 0.887 -21.058 159 HD22 LEU 19 HD22 LEU 19 -6.377 2.396 -21.458 160 HD23 LEU 19 HD23 LEU 19 -5.520 0.809 -21.387 161 H VAL 20 HN VAL 20 -7.374 -0.877 -25.567 162 HA VAL 20 HA VAL 20 -6.250 0.508 -27.735 163 HB VAL 20 HB VAL 20 -5.202 -1.379 -26.483 164 HG11 VAL 20 HG11 VAL 20 -6.831 -3.151 -28.432 165 HG12 VAL 20 HG12 VAL 20 -5.580 -3.681 -27.257 166 HG13 VAL 20 HG13 VAL 20 -7.139 -3.009 -26.655 167 HG21 VAL 20 HG21 VAL 20 -4.254 -0.351 -28.564 168 HG22 VAL 20 HG22 VAL 20 -3.924 -2.121 -28.491 169 HG23 VAL 20 HG23 VAL 20 -5.214 -1.495 -29.576 170 H THR 21 HN THR 21 -9.115 -1.592 -27.597 171 HA THR 21 HA THR 21 -9.417 -1.477 -30.494 172 HB THR 21 HB THR 21 -11.526 -2.719 -30.165 173 HG1 THR 21 HG1 THR 21 -10.807 -2.971 -27.468 174 HG21 THR 21 HG21 THR 21 -9.138 -3.901 -28.586 175 HG22 THR 21 HG22 THR 21 -9.352 -3.957 -30.373 176 HG23 THR 21 HG23 THR 21 -10.515 -4.811 -29.296 177 H LYS 22 HN LYS 22 -9.838 0.797 -28.221 178 HA LYS 22 HA LYS 22 -10.922 2.674 -28.011 179 HB2 LYS 22 HB1 LYS 22 -9.976 2.754 -30.352 180 HB3 LYS 22 HB2 LYS 22 -11.625 2.455 -30.973 181 HG2 LYS 22 HG1 LYS 22 -12.410 4.571 -29.848 182 HG3 LYS 22 HG2 LYS 22 -10.765 4.852 -29.202 183 HD2 LYS 22 HD1 LYS 22 -11.522 4.710 -32.193 184 HD3 LYS 22 HD2 LYS 22 -11.333 6.219 -31.240 185 HE2 LYS 22 HE1 LYS 22 -8.901 5.676 -30.831 186 HE3 LYS 22 HE2 LYS 22 -9.070 4.175 -31.822 187 HZ1 LYS 22 HZ1 LYS 22 -9.682 5.551 -33.710 188 HZ2 LYS 22 HZ2 LYS 22 -8.168 5.994 -33.099 189 HZ3 LYS 22 HZ3 LYS 22 -9.522 6.961 -32.785 190 H LYS 23 HN LYS 23 -12.351 0.870 -26.842 191 HA LYS 23 HA LYS 23 -15.173 1.582 -27.340 192 HB2 LYS 23 HB1 LYS 23 -14.011 -1.164 -26.531 193 HB3 LYS 23 HB2 LYS 23 -15.758 -0.799 -26.700 194 HG2 LYS 23 HG1 LYS 23 -13.677 -0.791 -28.951 195 HG3 LYS 23 HG2 LYS 23 -14.783 -2.135 -28.590 196 HD2 LYS 23 HD1 LYS 23 -16.736 -0.967 -29.254 197 HD3 LYS 23 HD2 LYS 23 -15.977 0.639 -29.142 198 HE2 LYS 23 HE1 LYS 23 -15.257 -1.469 -31.298 199 HE3 LYS 23 HE2 LYS 23 -16.350 -0.042 -31.517 200 HZ1 LYS 23 HZ1 LYS 23 -14.383 1.281 -30.635 201 HZ2 LYS 23 HZ2 LYS 23 -14.260 0.668 -32.226 202 HZ3 LYS 23 HZ3 LYS 23 -13.441 -0.051 -30.933 203 H CYS 24 HN CYS 24 -12.810 2.226 -25.226 204 HA CYS 24 HA CYS 24 -14.083 1.145 -22.844 205 HB2 CYS 24 HB1 CYS 24 -11.470 1.605 -23.457 206 HB3 CYS 24 HB2 CYS 24 -11.800 3.120 -22.597 Start of MODEL 3 1 H1 PHE 1 HN PHE 1 6.386 -0.120 -3.022 2 HA PHE 1 HA PHE 1 4.929 2.165 -2.988 3 HB2 PHE 1 HB1 PHE 1 6.307 2.737 -5.082 4 HB3 PHE 1 HB2 PHE 1 5.589 1.302 -5.891 5 HD1 PHE 1 HD1 PHE 1 3.673 1.687 -7.187 6 HD2 PHE 1 HD2 PHE 1 4.550 4.413 -3.988 7 HE1 PHE 1 HE1 PHE 1 1.728 3.082 -7.844 8 HE2 PHE 1 HE2 PHE 1 2.605 5.800 -4.632 9 HZ PHE 1 HZ PHE 1 1.190 5.137 -6.557 10 H LEU 2 HN LEU 2 2.699 1.636 -4.287 11 HA LEU 2 HA LEU 2 1.700 -0.784 -3.305 12 HB2 LEU 2 HB1 LEU 2 0.608 1.209 -5.375 13 HB3 LEU 2 HB2 LEU 2 -0.304 -0.234 -4.835 14 HG LEU 2 HG LEU 2 -0.124 0.638 -2.438 15 HD11 LEU 2 HD11 LEU 2 0.660 3.252 -3.890 16 HD12 LEU 2 HD12 LEU 2 1.608 2.400 -2.606 17 HD13 LEU 2 HD13 LEU 2 0.034 3.153 -2.206 18 HD21 LEU 2 HD21 LEU 2 -2.080 2.143 -2.760 19 HD22 LEU 2 HD22 LEU 2 -2.204 0.687 -3.815 20 HD23 LEU 2 HD23 LEU 2 -1.706 2.278 -4.517 21 HA PRO 3 HA PRO 3 2.955 -3.458 -6.594 22 HB2 PRO 3 HB1 PRO 3 1.191 -5.596 -6.430 23 HB3 PRO 3 HB2 PRO 3 2.372 -5.186 -5.132 24 HG2 PRO 3 HG1 PRO 3 -0.570 -4.317 -5.270 25 HG3 PRO 3 HG2 PRO 3 0.274 -5.173 -3.908 26 HD2 PRO 3 HD1 PRO 3 0.005 -2.442 -3.886 27 HD3 PRO 3 HD2 PRO 3 1.583 -3.199 -3.381 28 H ILE 4 HN ILE 4 2.271 -1.608 -8.006 29 HA ILE 4 HA ILE 4 -0.087 -1.453 -9.361 30 HB ILE 4 HB ILE 4 1.506 0.308 -9.109 31 HG12 ILE 4 HG11 ILE 4 -0.291 0.356 -10.922 32 HG13 ILE 4 HG12 ILE 4 1.054 1.524 -11.004 33 HG21 ILE 4 HG21 ILE 4 3.520 0.549 -10.512 34 HG22 ILE 4 HG22 ILE 4 3.642 -0.893 -9.455 35 HG23 ILE 4 HG23 ILE 4 3.278 -1.082 -11.217 36 HD11 ILE 4 HD1 ILE 4 0.504 0.709 -13.263 37 HD12 ILE 4 HD2 ILE 4 2.168 0.212 -12.818 38 HD13 ILE 4 HD3 ILE 4 0.824 -0.991 -12.792 39 H LEU 5 HN LEU 5 2.810 -3.274 -10.512 40 HA LEU 5 HA LEU 5 1.731 -3.918 -13.003 41 HB2 LEU 5 HB1 LEU 5 3.710 -5.555 -11.316 42 HB3 LEU 5 HB2 LEU 5 3.464 -5.699 -13.084 43 HG LEU 5 HG LEU 5 4.560 -3.224 -11.614 44 HD11 LEU 5 HD11 LEU 5 5.959 -5.307 -13.402 45 HD12 LEU 5 HD12 LEU 5 6.130 -5.162 -11.613 46 HD13 LEU 5 HD13 LEU 5 6.715 -3.837 -12.686 47 HD21 LEU 5 HD21 LEU 5 5.129 -2.392 -13.915 48 HD22 LEU 5 HD22 LEU 5 3.352 -2.516 -13.679 49 HD23 LEU 5 HD23 LEU 5 4.228 -3.773 -14.635 50 H ALA 6 HN ALA 6 1.500 -5.792 -9.944 51 HA ALA 6 HA ALA 6 0.029 -7.944 -11.034 52 HB1 ALA 6 HB1 ALA 6 1.250 -8.043 -8.846 53 HB2 ALA 6 HB2 ALA 6 0.135 -6.801 -8.168 54 HB3 ALA 6 HB3 ALA 6 -0.490 -8.432 -8.622 55 H SER 7 HN SER 7 -0.987 -4.880 -9.503 56 HA SER 7 HA SER 7 -3.758 -5.366 -9.673 57 HB2 SER 7 HB1 SER 7 -2.509 -3.546 -8.305 58 HB3 SER 7 HB2 SER 7 -2.481 -2.583 -9.810 59 HG SER 7 HG1 SER 7 -4.316 -1.985 -8.904 60 H LEU 8 HN LEU 8 -1.525 -3.804 -12.024 61 HA LEU 8 HA LEU 8 -3.407 -3.073 -13.930 62 HB2 LEU 8 HB1 LEU 8 -0.883 -2.500 -13.637 63 HB3 LEU 8 HB2 LEU 8 -0.537 -4.024 -14.490 64 HG LEU 8 HG LEU 8 -0.316 -2.099 -15.933 65 HD11 LEU 8 HD11 LEU 8 -2.891 -3.506 -16.856 66 HD12 LEU 8 HD12 LEU 8 -1.221 -4.170 -17.021 67 HD13 LEU 8 HD13 LEU 8 -1.680 -2.646 -17.866 68 HD21 LEU 8 HD21 LEU 8 -2.131 -0.530 -16.508 69 HD22 LEU 8 HD22 LEU 8 -1.786 -0.505 -14.740 70 HD23 LEU 8 HD23 LEU 8 -3.250 -1.353 -15.362 71 H ALA 9 HN ALA 9 -1.491 -6.176 -13.715 72 HA ALA 9 HA ALA 9 -2.703 -7.315 -15.972 73 HB1 ALA 9 HB1 ALA 9 -1.793 -9.467 -15.046 74 HB2 ALA 9 HB2 ALA 9 -0.589 -8.134 -14.912 75 HB3 ALA 9 HB3 ALA 9 -1.514 -8.648 -13.459 76 H ALA 10 HN ALA 10 -3.620 -7.693 -12.499 77 HA ALA 10 HA ALA 10 -5.758 -9.437 -13.061 78 HB1 ALA 10 HB1 ALA 10 -6.302 -9.100 -10.636 79 HB2 ALA 10 HB2 ALA 10 -4.548 -9.395 -10.910 80 HB3 ALA 10 HB3 ALA 10 -5.119 -7.722 -10.595 81 H LYS 11 HN LYS 11 -5.838 -5.842 -12.514 82 HA LYS 11 HA LYS 11 -8.788 -6.012 -12.736 83 HB2 LYS 11 HB1 LYS 11 -6.935 -3.767 -11.761 84 HB3 LYS 11 HB2 LYS 11 -8.703 -3.602 -11.963 85 HG2 LYS 11 HG1 LYS 11 -8.309 -3.862 -9.674 86 HG3 LYS 11 HG2 LYS 11 -9.107 -5.362 -10.234 87 HD2 LYS 11 HD1 LYS 11 -7.153 -6.672 -10.002 88 HD3 LYS 11 HD2 LYS 11 -6.052 -5.271 -10.075 89 HE2 LYS 11 HE1 LYS 11 -7.902 -5.898 -7.671 90 HE3 LYS 11 HE2 LYS 11 -6.151 -6.342 -7.796 91 HZ1 LYS 11 HZ1 LYS 11 -5.700 -3.946 -8.170 92 HZ2 LYS 11 HZ2 LYS 11 -6.330 -4.296 -6.634 93 HZ3 LYS 11 HZ3 LYS 11 -7.316 -3.609 -7.836 94 H PHE 12 HN PHE 12 -5.969 -4.883 -14.590 95 HA PHE 12 HA PHE 12 -7.812 -3.246 -16.224 96 HB2 PHE 12 HB1 PHE 12 -4.797 -2.940 -15.762 97 HB3 PHE 12 HB2 PHE 12 -5.720 -2.053 -17.018 98 HD1 PHE 12 HD1 PHE 12 -6.912 -0.105 -16.489 99 HD2 PHE 12 HD2 PHE 12 -5.508 -2.626 -13.316 100 HE1 PHE 12 HE1 PHE 12 -7.522 1.639 -14.834 101 HE2 PHE 12 HE2 PHE 12 -6.110 -0.889 -11.661 102 HZ PHE 12 HZ PHE 12 -7.125 1.247 -12.420 103 H GLY 13 HN GLY 13 -6.443 -6.299 -16.337 104 HA2 GLY 13 HA1 GLY 13 -5.582 -6.651 -18.895 105 HA3 GLY 13 HA2 GLY 13 -6.654 -7.788 -18.020 106 HA PRO 14 HA PRO 14 -9.687 -6.708 -21.068 107 HB2 PRO 14 HB1 PRO 14 -12.135 -6.236 -19.790 108 HB3 PRO 14 HB2 PRO 14 -11.340 -7.854 -19.823 109 HG2 PRO 14 HG1 PRO 14 -11.152 -5.755 -17.587 110 HG3 PRO 14 HG2 PRO 14 -11.582 -7.508 -17.436 111 HD2 PRO 14 HD1 PRO 14 -9.024 -6.630 -16.987 112 HD3 PRO 14 HD2 PRO 14 -9.302 -8.186 -17.891 113 H LYS 15 HN LYS 15 -9.106 -4.294 -18.634 114 HA LYS 15 HA LYS 15 -10.440 -2.147 -19.950 115 HB2 LYS 15 HB1 LYS 15 -9.574 -2.382 -17.443 116 HB3 LYS 15 HB2 LYS 15 -8.067 -1.725 -18.116 117 HG2 LYS 15 HG1 LYS 15 -8.986 0.237 -17.526 118 HG3 LYS 15 HG2 LYS 15 -9.816 0.176 -19.100 119 HD2 LYS 15 HD1 LYS 15 -10.999 -1.054 -16.518 120 HD3 LYS 15 HD2 LYS 15 -11.083 0.700 -16.748 121 HE2 LYS 15 HE1 LYS 15 -12.297 -1.279 -18.800 122 HE3 LYS 15 HE2 LYS 15 -13.196 -0.670 -17.355 123 HZ1 LYS 15 HZ1 LYS 15 -13.620 0.700 -19.328 124 HZ2 LYS 15 HZ2 LYS 15 -11.986 1.035 -19.469 125 HZ3 LYS 15 HZ3 LYS 15 -12.847 1.587 -18.121 126 H LEU 16 HN LEU 16 -7.100 -3.431 -20.057 127 HA LEU 16 HA LEU 16 -6.000 -1.638 -21.867 128 HB2 LEU 16 HB1 LEU 16 -4.751 -3.295 -20.474 129 HB3 LEU 16 HB2 LEU 16 -5.453 -4.628 -21.427 130 HG LEU 16 HG LEU 16 -4.265 -3.789 -23.474 131 HD11 LEU 16 HD11 LEU 16 -3.020 -1.713 -21.554 132 HD12 LEU 16 HD12 LEU 16 -4.079 -1.359 -22.977 133 HD13 LEU 16 HD13 LEU 16 -2.446 -2.069 -23.224 134 HD21 LEU 16 HD21 LEU 16 -3.229 -5.514 -22.002 135 HD22 LEU 16 HD22 LEU 16 -2.441 -4.219 -21.026 136 HD23 LEU 16 HD23 LEU 16 -1.978 -4.455 -22.752 137 H PHE 17 HN PHE 17 -7.772 -4.714 -22.493 138 HA PHE 17 HA PHE 17 -7.643 -4.581 -25.286 139 HB2 PHE 17 HB1 PHE 17 -8.340 -6.605 -23.931 140 HB3 PHE 17 HB2 PHE 17 -9.891 -5.781 -23.540 141 HD1 PHE 17 HD1 PHE 17 -11.699 -5.986 -25.056 142 HD2 PHE 17 HD2 PHE 17 -7.728 -6.889 -26.427 143 HE1 PHE 17 HE1 PHE 17 -12.626 -6.800 -27.206 144 HE2 PHE 17 HE2 PHE 17 -8.655 -7.699 -28.576 145 HZ PHE 17 HZ PHE 17 -11.103 -7.655 -28.967 146 H CYS 18 HN CYS 18 -10.150 -3.215 -23.060 147 HA CYS 18 HA CYS 18 -11.661 -2.135 -25.169 148 HB2 CYS 18 HB1 CYS 18 -13.079 -1.143 -23.675 149 HB3 CYS 18 HB2 CYS 18 -12.513 -2.623 -22.867 150 H LEU 19 HN LEU 19 -8.921 -0.607 -23.374 151 HA LEU 19 HA LEU 19 -9.330 1.864 -24.723 152 HB2 LEU 19 HB1 LEU 19 -7.451 2.771 -23.709 153 HB3 LEU 19 HB2 LEU 19 -8.282 1.729 -22.523 154 HG LEU 19 HG LEU 19 -6.468 -0.077 -23.320 155 HD11 LEU 19 HD11 LEU 19 -5.350 1.378 -25.065 156 HD12 LEU 19 HD12 LEU 19 -4.236 0.988 -23.708 157 HD13 LEU 19 HD13 LEU 19 -5.009 2.610 -23.795 158 HD21 LEU 19 HD21 LEU 19 -5.874 2.263 -21.398 159 HD22 LEU 19 HD22 LEU 19 -5.049 0.661 -21.401 160 HD23 LEU 19 HD23 LEU 19 -6.804 0.764 -21.004 161 H VAL 20 HN VAL 20 -7.140 -0.905 -25.563 162 HA VAL 20 HA VAL 20 -6.052 0.503 -27.739 163 HB VAL 20 HB VAL 20 -5.002 -1.450 -26.677 164 HG11 VAL 20 HG11 VAL 20 -6.997 -2.984 -26.616 165 HG12 VAL 20 HG12 VAL 20 -6.943 -3.120 -28.420 166 HG13 VAL 20 HG13 VAL 20 -5.573 -3.723 -27.427 167 HG21 VAL 20 HG21 VAL 20 -3.975 -2.242 -28.792 168 HG22 VAL 20 HG22 VAL 20 -5.335 -1.567 -29.752 169 HG23 VAL 20 HG23 VAL 20 -4.225 -0.461 -28.847 170 H THR 21 HN THR 21 -8.948 -1.578 -27.578 171 HA THR 21 HA THR 21 -9.560 -1.290 -30.363 172 HB THR 21 HB THR 21 -11.823 -2.152 -29.796 173 HG1 THR 21 HG1 THR 21 -10.805 -2.638 -27.236 174 HG21 THR 21 HG21 THR 21 -9.933 -3.716 -30.323 175 HG22 THR 21 HG22 THR 21 -11.044 -4.410 -29.091 176 HG23 THR 21 HG23 THR 21 -9.453 -3.746 -28.587 177 H LYS 22 HN LYS 22 -9.878 0.814 -27.698 178 HA LYS 22 HA LYS 22 -10.575 2.863 -27.462 179 HB2 LYS 22 HB1 LYS 22 -10.902 2.869 -30.482 180 HB3 LYS 22 HB2 LYS 22 -11.034 4.332 -29.460 181 HG2 LYS 22 HG1 LYS 22 -8.769 4.250 -28.756 182 HG3 LYS 22 HG2 LYS 22 -8.512 2.576 -29.297 183 HD2 LYS 22 HD1 LYS 22 -9.162 4.875 -31.238 184 HD3 LYS 22 HD2 LYS 22 -7.491 4.512 -30.737 185 HE2 LYS 22 HE1 LYS 22 -9.357 2.466 -32.145 186 HE3 LYS 22 HE2 LYS 22 -8.131 3.501 -32.977 187 HZ1 LYS 22 HZ1 LYS 22 -7.580 1.439 -30.886 188 HZ2 LYS 22 HZ2 LYS 22 -6.436 2.493 -31.527 189 HZ3 LYS 22 HZ3 LYS 22 -7.210 1.359 -32.523 190 H LYS 23 HN LYS 23 -12.303 1.025 -26.694 191 HA LYS 23 HA LYS 23 -14.948 2.277 -27.132 192 HB2 LYS 23 HB1 LYS 23 -14.363 -0.709 -26.646 193 HB3 LYS 23 HB2 LYS 23 -15.974 0.016 -26.941 194 HG2 LYS 23 HG1 LYS 23 -13.638 -0.194 -28.936 195 HG3 LYS 23 HG2 LYS 23 -15.079 -1.244 -28.903 196 HD2 LYS 23 HD1 LYS 23 -16.557 0.596 -29.544 197 HD3 LYS 23 HD2 LYS 23 -15.257 1.803 -29.279 198 HE2 LYS 23 HE1 LYS 23 -13.897 0.719 -31.147 199 HE3 LYS 23 HE2 LYS 23 -15.335 -0.311 -31.532 200 HZ1 LYS 23 HZ1 LYS 23 -15.235 2.664 -31.483 201 HZ2 LYS 23 HZ2 LYS 23 -16.606 1.735 -31.851 202 HZ3 LYS 23 HZ3 LYS 23 -15.252 1.693 -32.875 203 H CYS 24 HN CYS 24 -12.859 2.762 -25.054 204 HA CYS 24 HA CYS 24 -13.378 0.893 -23.022 205 HB2 CYS 24 HB1 CYS 24 -11.186 2.192 -23.711 206 HB3 CYS 24 HB2 CYS 24 -11.716 3.416 -22.532 Start of MODEL 4 1 H1 PHE 1 HN PHE 1 6.279 2.036 -4.916 2 HA PHE 1 HA PHE 1 5.266 1.293 -2.965 3 HB2 PHE 1 HB1 PHE 1 3.402 3.382 -4.287 4 HB3 PHE 1 HB2 PHE 1 3.323 2.930 -2.534 5 HD1 PHE 1 HD1 PHE 1 5.182 3.463 -1.024 6 HD2 PHE 1 HD2 PHE 1 5.216 4.737 -5.126 7 HE1 PHE 1 HE1 PHE 1 6.965 5.097 -0.500 8 HE2 PHE 1 HE2 PHE 1 7.008 6.372 -4.602 9 HZ PHE 1 HZ PHE 1 7.880 6.552 -2.286 10 H LEU 2 HN LEU 2 2.141 1.854 -4.530 11 HA LEU 2 HA LEU 2 1.094 -0.573 -3.595 12 HB2 LEU 2 HB1 LEU 2 0.085 1.421 -5.704 13 HB3 LEU 2 HB2 LEU 2 -0.851 -0.026 -5.224 14 HG LEU 2 HG LEU 2 -1.772 1.854 -4.125 15 HD11 LEU 2 HD11 LEU 2 -1.716 -0.297 -2.838 16 HD12 LEU 2 HD12 LEU 2 -1.745 1.155 -1.773 17 HD13 LEU 2 HD13 LEU 2 -0.211 0.256 -2.004 18 HD21 LEU 2 HD21 LEU 2 0.884 2.472 -2.708 19 HD22 LEU 2 HD22 LEU 2 -0.677 3.334 -2.543 20 HD23 LEU 2 HD23 LEU 2 0.211 3.403 -4.109 21 HA PRO 3 HA PRO 3 2.572 -3.265 -6.694 22 HB2 PRO 3 HB1 PRO 3 0.855 -5.439 -6.602 23 HB3 PRO 3 HB2 PRO 3 1.920 -4.956 -5.230 24 HG2 PRO 3 HG1 PRO 3 -1.022 -4.167 -5.622 25 HG3 PRO 3 HG2 PRO 3 -0.269 -4.962 -4.173 26 HD2 PRO 3 HD1 PRO 3 -0.595 -2.238 -4.259 27 HD3 PRO 3 HD2 PRO 3 0.957 -2.941 -3.614 28 H ILE 4 HN ILE 4 2.080 -1.574 -8.305 29 HA ILE 4 HA ILE 4 -0.129 -1.452 -9.876 30 HB ILE 4 HB ILE 4 1.555 0.263 -9.728 31 HG12 ILE 4 HG11 ILE 4 1.163 -0.614 -12.652 32 HG13 ILE 4 HG12 ILE 4 -0.106 0.140 -11.635 33 HG21 ILE 4 HG21 ILE 4 3.337 -1.478 -11.560 34 HG22 ILE 4 HG22 ILE 4 3.695 0.162 -10.929 35 HG23 ILE 4 HG23 ILE 4 3.612 -1.213 -9.789 36 HD11 ILE 4 HD1 ILE 4 0.964 1.868 -13.049 37 HD12 ILE 4 HD2 ILE 4 1.369 2.177 -11.321 38 HD13 ILE 4 HD3 ILE 4 2.591 1.439 -12.418 39 H LEU 5 HN LEU 5 2.687 -3.586 -10.529 40 HA LEU 5 HA LEU 5 1.800 -4.493 -13.026 41 HB2 LEU 5 HB1 LEU 5 3.435 -6.007 -10.908 42 HB3 LEU 5 HB2 LEU 5 3.339 -6.418 -12.649 43 HG LEU 5 HG LEU 5 4.537 -3.831 -11.480 44 HD11 LEU 5 HD11 LEU 5 5.893 -5.862 -10.975 45 HD12 LEU 5 HD12 LEU 5 6.715 -4.800 -12.177 46 HD13 LEU 5 HD13 LEU 5 5.889 -6.305 -12.724 47 HD21 LEU 5 HD21 LEU 5 3.619 -3.402 -13.760 48 HD22 LEU 5 HD22 LEU 5 4.459 -4.873 -14.386 49 HD23 LEU 5 HD23 LEU 5 5.415 -3.464 -13.803 50 H ALA 6 HN ALA 6 1.070 -5.791 -9.757 51 HA ALA 6 HA ALA 6 -0.499 -7.968 -10.659 52 HB1 ALA 6 HB1 ALA 6 -0.574 -6.413 -7.997 53 HB2 ALA 6 HB2 ALA 6 -1.278 -8.047 -8.286 54 HB3 ALA 6 HB3 ALA 6 0.503 -7.813 -8.357 55 H SER 7 HN SER 7 -1.333 -4.611 -9.732 56 HA SER 7 HA SER 7 -4.113 -4.822 -10.120 57 HB2 SER 7 HB1 SER 7 -2.888 -2.928 -8.964 58 HB3 SER 7 HB2 SER 7 -2.381 -2.326 -10.577 59 HG SER 7 HG1 SER 7 -4.335 -1.373 -9.666 60 H LEU 8 HN LEU 8 -1.543 -3.892 -12.494 61 HA LEU 8 HA LEU 8 -3.255 -3.510 -14.661 62 HB2 LEU 8 HB1 LEU 8 -0.342 -4.018 -14.197 63 HB3 LEU 8 HB2 LEU 8 -0.898 -4.479 -15.824 64 HG LEU 8 HG LEU 8 0.085 -2.181 -15.606 65 HD11 LEU 8 HD11 LEU 8 -1.495 -1.135 -17.187 66 HD12 LEU 8 HD12 LEU 8 -2.781 -2.311 -16.723 67 HD13 LEU 8 HD13 LEU 8 -1.286 -2.887 -17.554 68 HD21 LEU 8 HD21 LEU 8 -2.594 -1.389 -14.292 69 HD22 LEU 8 HD22 LEU 8 -1.267 -0.290 -14.810 70 HD23 LEU 8 HD23 LEU 8 -0.995 -1.450 -13.459 71 H ALA 9 HN ALA 9 -1.521 -6.568 -13.717 72 HA ALA 9 HA ALA 9 -2.649 -8.076 -15.799 73 HB1 ALA 9 HB1 ALA 9 -1.786 -10.027 -14.478 74 HB2 ALA 9 HB2 ALA 9 -0.582 -8.690 -14.535 75 HB3 ALA 9 HB3 ALA 9 -1.562 -8.942 -13.050 76 H ALA 10 HN ALA 10 -3.750 -7.775 -12.365 77 HA ALA 10 HA ALA 10 -5.891 -9.664 -12.941 78 HB1 ALA 10 HB1 ALA 10 -4.926 -8.406 -10.308 79 HB2 ALA 10 HB2 ALA 10 -6.082 -9.789 -10.472 80 HB3 ALA 10 HB3 ALA 10 -4.368 -9.974 -10.980 81 H LYS 11 HN LYS 11 -5.753 -6.372 -13.318 82 HA LYS 11 HA LYS 11 -8.670 -6.285 -12.997 83 HB2 LYS 11 HB1 LYS 11 -7.331 -5.475 -10.841 84 HB3 LYS 11 HB2 LYS 11 -6.952 -4.045 -11.813 85 HG2 LYS 11 HG1 LYS 11 -8.845 -3.495 -10.435 86 HG3 LYS 11 HG2 LYS 11 -9.442 -3.622 -12.111 87 HD2 LYS 11 HD1 LYS 11 -11.042 -4.578 -10.587 88 HD3 LYS 11 HD2 LYS 11 -10.421 -5.889 -11.612 89 HE2 LYS 11 HE1 LYS 11 -9.007 -5.452 -8.930 90 HE3 LYS 11 HE2 LYS 11 -10.729 -5.977 -8.834 91 HZ1 LYS 11 HZ1 LYS 11 -10.259 -7.909 -10.062 92 HZ2 LYS 11 HZ2 LYS 11 -9.057 -7.800 -8.875 93 HZ3 LYS 11 HZ3 LYS 11 -8.714 -7.426 -10.483 94 H PHE 12 HN PHE 12 -5.805 -5.070 -14.736 95 HA PHE 12 HA PHE 12 -7.626 -3.294 -16.234 96 HB2 PHE 12 HB1 PHE 12 -4.572 -3.494 -16.204 97 HB3 PHE 12 HB2 PHE 12 -5.474 -2.595 -17.446 98 HD1 PHE 12 HD1 PHE 12 -4.858 -0.406 -17.172 99 HD2 PHE 12 HD2 PHE 12 -5.966 -2.645 -13.669 100 HE1 PHE 12 HE1 PHE 12 -4.598 1.621 -15.783 101 HE2 PHE 12 HE2 PHE 12 -5.748 -0.635 -12.310 102 HZ PHE 12 HZ PHE 12 -5.049 1.513 -13.338 103 H GLY 13 HN GLY 13 -6.714 -6.541 -16.433 104 HA2 GLY 13 HA1 GLY 13 -5.954 -7.024 -18.966 105 HA3 GLY 13 HA2 GLY 13 -7.151 -8.029 -18.100 106 HA PRO 14 HA PRO 14 -9.943 -6.782 -21.291 107 HB2 PRO 14 HB1 PRO 14 -12.417 -6.168 -20.142 108 HB3 PRO 14 HB2 PRO 14 -11.707 -7.824 -20.102 109 HG2 PRO 14 HG1 PRO 14 -11.523 -5.680 -17.911 110 HG3 PRO 14 HG2 PRO 14 -12.049 -7.406 -17.738 111 HD2 PRO 14 HD1 PRO 14 -9.462 -6.641 -17.186 112 HD3 PRO 14 HD2 PRO 14 -9.785 -8.208 -18.060 113 H LYS 15 HN LYS 15 -9.369 -4.404 -18.852 114 HA LYS 15 HA LYS 15 -10.499 -2.134 -20.135 115 HB2 LYS 15 HB1 LYS 15 -9.951 -2.328 -17.698 116 HB3 LYS 15 HB2 LYS 15 -8.209 -2.349 -18.118 117 HG2 LYS 15 HG1 LYS 15 -8.382 -0.037 -19.033 118 HG3 LYS 15 HG2 LYS 15 -10.130 0.004 -18.624 119 HD2 LYS 15 HD1 LYS 15 -9.617 -0.356 -16.223 120 HD3 LYS 15 HD2 LYS 15 -7.882 -0.584 -16.603 121 HE2 LYS 15 HE1 LYS 15 -7.733 1.826 -17.373 122 HE3 LYS 15 HE2 LYS 15 -9.465 2.064 -16.897 123 HZ1 LYS 15 HZ1 LYS 15 -8.866 1.419 -14.646 124 HZ2 LYS 15 HZ2 LYS 15 -7.928 2.739 -15.153 125 HZ3 LYS 15 HZ3 LYS 15 -7.254 1.182 -15.098 126 H LEU 16 HN LEU 16 -7.259 -3.657 -20.234 127 HA LEU 16 HA LEU 16 -6.014 -1.875 -21.974 128 HB2 LEU 16 HB1 LEU 16 -4.889 -3.653 -20.613 129 HB3 LEU 16 HB2 LEU 16 -5.657 -4.906 -21.624 130 HG LEU 16 HG LEU 16 -4.390 -4.070 -23.623 131 HD11 LEU 16 HD11 LEU 16 -4.065 -1.675 -23.038 132 HD12 LEU 16 HD12 LEU 16 -2.477 -2.474 -23.293 133 HD13 LEU 16 HD13 LEU 16 -3.046 -2.142 -21.618 134 HD21 LEU 16 HD21 LEU 16 -3.482 -5.906 -22.203 135 HD22 LEU 16 HD22 LEU 16 -2.628 -4.697 -21.172 136 HD23 LEU 16 HD23 LEU 16 -2.159 -4.899 -22.901 137 H PHE 17 HN PHE 17 -7.977 -4.809 -22.700 138 HA PHE 17 HA PHE 17 -7.792 -4.599 -25.492 139 HB2 PHE 17 HB1 PHE 17 -8.588 -6.636 -24.210 140 HB3 PHE 17 HB2 PHE 17 -10.113 -5.763 -23.820 141 HD1 PHE 17 HD1 PHE 17 -11.892 -5.810 -25.388 142 HD2 PHE 17 HD2 PHE 17 -7.944 -6.896 -26.689 143 HE1 PHE 17 HE1 PHE 17 -12.809 -6.528 -27.576 144 HE2 PHE 17 HE2 PHE 17 -8.860 -7.611 -28.875 145 HZ PHE 17 HZ PHE 17 -11.293 -7.430 -29.320 146 H CYS 18 HN CYS 18 -10.293 -3.200 -23.249 147 HA CYS 18 HA CYS 18 -11.695 -1.990 -25.361 148 HB2 CYS 18 HB1 CYS 18 -13.091 -0.903 -23.892 149 HB3 CYS 18 HB2 CYS 18 -12.679 -2.452 -23.113 150 H LEU 19 HN LEU 19 -8.963 -0.610 -23.422 151 HA LEU 19 HA LEU 19 -9.222 1.888 -24.733 152 HB2 LEU 19 HB1 LEU 19 -7.316 2.683 -23.663 153 HB3 LEU 19 HB2 LEU 19 -8.235 1.659 -22.527 154 HG LEU 19 HG LEU 19 -6.502 -0.225 -23.314 155 HD11 LEU 19 HD11 LEU 19 -4.201 0.718 -23.624 156 HD12 LEU 19 HD12 LEU 19 -4.879 2.384 -23.693 157 HD13 LEU 19 HD13 LEU 19 -5.256 1.200 -24.997 158 HD21 LEU 19 HD21 LEU 19 -6.848 0.588 -20.991 159 HD22 LEU 19 HD22 LEU 19 -5.820 2.038 -21.330 160 HD23 LEU 19 HD23 LEU 19 -5.090 0.388 -21.348 161 H VAL 20 HN VAL 20 -7.119 -0.944 -25.622 162 HA VAL 20 HA VAL 20 -5.921 0.489 -27.721 163 HB VAL 20 HB VAL 20 -4.982 -1.539 -26.685 164 HG11 VAL 20 HG11 VAL 20 -7.039 -3.000 -26.772 165 HG12 VAL 20 HG12 VAL 20 -6.897 -3.075 -28.574 166 HG13 VAL 20 HG13 VAL 20 -5.601 -3.759 -27.538 167 HG21 VAL 20 HG21 VAL 20 -5.198 -1.524 -29.774 168 HG22 VAL 20 HG22 VAL 20 -4.084 -0.497 -28.783 169 HG23 VAL 20 HG23 VAL 20 -3.903 -2.286 -28.791 170 H THR 21 HN THR 21 -8.879 -1.499 -27.713 171 HA THR 21 HA THR 21 -9.409 -1.086 -30.507 172 HB THR 21 HB THR 21 -11.655 -2.016 -30.063 173 HG1 THR 21 HG1 THR 21 -10.780 -2.553 -27.460 174 HG21 THR 21 HG21 THR 21 -9.347 -3.624 -28.760 175 HG22 THR 21 HG22 THR 21 -9.718 -3.547 -30.522 176 HG23 THR 21 HG23 THR 21 -10.898 -4.281 -29.381 177 H LYS 22 HN LYS 22 -9.604 0.939 -27.843 178 HA LYS 22 HA LYS 22 -10.343 2.953 -27.459 179 HB2 LYS 22 HB1 LYS 22 -10.621 3.048 -30.490 180 HB3 LYS 22 HB2 LYS 22 -10.769 4.491 -29.435 181 HG2 LYS 22 HG1 LYS 22 -8.522 4.373 -28.683 182 HG3 LYS 22 HG2 LYS 22 -8.259 2.714 -29.266 183 HD2 LYS 22 HD1 LYS 22 -8.862 5.058 -31.167 184 HD3 LYS 22 HD2 LYS 22 -7.206 4.706 -30.617 185 HE2 LYS 22 HE1 LYS 22 -8.990 2.674 -32.143 186 HE3 LYS 22 HE2 LYS 22 -7.741 3.739 -32.896 187 HZ1 LYS 22 HZ1 LYS 22 -6.792 1.620 -32.471 188 HZ2 LYS 22 HZ2 LYS 22 -7.270 1.605 -30.859 189 HZ3 LYS 22 HZ3 LYS 22 -6.109 2.713 -31.369 190 H LYS 23 HN LYS 23 -12.089 1.094 -26.790 191 HA LYS 23 HA LYS 23 -14.758 2.264 -27.332 192 HB2 LYS 23 HB1 LYS 23 -14.015 -0.578 -26.433 193 HB3 LYS 23 HB2 LYS 23 -15.662 -0.022 -26.835 194 HG2 LYS 23 HG1 LYS 23 -13.344 -0.234 -28.885 195 HG3 LYS 23 HG2 LYS 23 -14.409 -1.567 -28.429 196 HD2 LYS 23 HD1 LYS 23 -15.318 -0.800 -30.443 197 HD3 LYS 23 HD2 LYS 23 -16.441 -0.313 -29.152 198 HE2 LYS 23 HE1 LYS 23 -16.201 1.429 -30.937 199 HE3 LYS 23 HE2 LYS 23 -15.680 2.061 -29.331 200 HZ1 LYS 23 HZ1 LYS 23 -14.208 2.030 -31.677 201 HZ2 LYS 23 HZ2 LYS 23 -13.468 0.875 -30.666 202 HZ3 LYS 23 HZ3 LYS 23 -13.707 2.429 -30.105 203 H CYS 24 HN CYS 24 -12.381 2.443 -25.099 204 HA CYS 24 HA CYS 24 -13.715 1.388 -22.817 205 HB2 CYS 24 HB1 CYS 24 -11.118 1.817 -23.428 206 HB3 CYS 24 HB2 CYS 24 -11.378 3.315 -22.513 Start of MODEL 5 1 H1 PHE 1 HN PHE 1 6.364 -0.156 -3.445 2 HA PHE 1 HA PHE 1 4.902 2.086 -3.147 3 HB2 PHE 1 HB1 PHE 1 6.130 2.841 -5.286 4 HB3 PHE 1 HB2 PHE 1 5.335 1.485 -6.157 5 HD1 PHE 1 HD1 PHE 1 3.336 2.006 -7.268 6 HD2 PHE 1 HD2 PHE 1 4.474 4.404 -3.893 7 HE1 PHE 1 HE1 PHE 1 1.360 3.461 -7.637 8 HE2 PHE 1 HE2 PHE 1 2.498 5.851 -4.252 9 HZ PHE 1 HZ PHE 1 0.938 5.382 -6.121 10 H LEU 2 HN LEU 2 2.601 1.606 -4.457 11 HA LEU 2 HA LEU 2 1.668 -0.857 -3.528 12 HB2 LEU 2 HB1 LEU 2 0.502 1.203 -5.484 13 HB3 LEU 2 HB2 LEU 2 -0.375 -0.289 -5.029 14 HG LEU 2 HG LEU 2 -0.222 0.414 -2.592 15 HD11 LEU 2 HD11 LEU 2 0.574 3.134 -3.823 16 HD12 LEU 2 HD12 LEU 2 1.519 2.175 -2.614 17 HD13 LEU 2 HD13 LEU 2 -0.055 2.896 -2.153 18 HD21 LEU 2 HD21 LEU 2 -2.174 1.942 -2.808 19 HD22 LEU 2 HD22 LEU 2 -2.290 0.577 -3.978 20 HD23 LEU 2 HD23 LEU 2 -1.785 2.217 -4.545 21 HA PRO 3 HA PRO 3 2.966 -3.449 -6.803 22 HB2 PRO 3 HB1 PRO 3 1.270 -5.637 -6.670 23 HB3 PRO 3 HB2 PRO 3 2.404 -5.182 -5.344 24 HG2 PRO 3 HG1 PRO 3 -0.558 -4.403 -5.563 25 HG3 PRO 3 HG2 PRO 3 0.271 -5.233 -4.176 26 HD2 PRO 3 HD1 PRO 3 -0.074 -2.509 -4.174 27 HD3 PRO 3 HD2 PRO 3 1.511 -3.220 -3.623 28 H ILE 4 HN ILE 4 2.333 -1.685 -8.301 29 HA ILE 4 HA ILE 4 0.028 -1.552 -9.730 30 HB ILE 4 HB ILE 4 1.681 0.168 -9.541 31 HG12 ILE 4 HG11 ILE 4 -0.094 0.168 -11.381 32 HG13 ILE 4 HG12 ILE 4 1.282 1.298 -11.496 33 HG21 ILE 4 HG21 ILE 4 3.719 0.261 -10.932 34 HG22 ILE 4 HG22 ILE 4 3.776 -1.127 -9.797 35 HG23 ILE 4 HG23 ILE 4 3.423 -1.398 -11.550 36 HD11 ILE 4 HD1 ILE 4 0.744 0.387 -13.723 37 HD12 ILE 4 HD2 ILE 4 2.389 -0.126 -13.227 38 HD13 ILE 4 HD3 ILE 4 1.016 -1.295 -13.163 39 H LEU 5 HN LEU 5 2.873 -3.547 -10.677 40 HA LEU 5 HA LEU 5 1.839 -4.344 -13.149 41 HB2 LEU 5 HB1 LEU 5 3.689 -5.915 -11.266 42 HB3 LEU 5 HB2 LEU 5 3.485 -6.204 -13.022 43 HG LEU 5 HG LEU 5 4.656 -3.658 -11.741 44 HD11 LEU 5 HD11 LEU 5 6.132 -5.656 -11.515 45 HD12 LEU 5 HD12 LEU 5 6.810 -4.462 -12.681 46 HD13 LEU 5 HD13 LEU 5 6.007 -5.955 -13.289 47 HD21 LEU 5 HD21 LEU 5 4.387 -4.465 -14.710 48 HD22 LEU 5 HD22 LEU 5 5.330 -3.065 -14.087 49 HD23 LEU 5 HD23 LEU 5 3.543 -3.089 -13.899 50 H ALA 6 HN ALA 6 1.387 -5.886 -9.938 51 HA ALA 6 HA ALA 6 -0.114 -8.091 -10.885 52 HB1 ALA 6 HB1 ALA 6 1.011 -8.016 -8.639 53 HB2 ALA 6 HB2 ALA 6 -0.102 -6.692 -8.135 54 HB3 ALA 6 HB3 ALA 6 -0.748 -8.342 -8.473 55 H SER 7 HN SER 7 -1.062 -4.848 -9.712 56 HA SER 7 HA SER 7 -3.851 -5.195 -10.009 57 HB2 SER 7 HB1 SER 7 -2.657 -3.303 -8.766 58 HB3 SER 7 HB2 SER 7 -2.326 -2.554 -10.364 59 HG SER 7 HG1 SER 7 -4.264 -1.774 -9.396 60 H LEU 8 HN LEU 8 -1.390 -3.994 -12.357 61 HA LEU 8 HA LEU 8 -3.112 -3.343 -14.391 62 HB2 LEU 8 HB1 LEU 8 -0.532 -2.992 -14.043 63 HB3 LEU 8 HB2 LEU 8 -0.334 -4.558 -14.864 64 HG LEU 8 HG LEU 8 0.059 -2.716 -16.370 65 HD11 LEU 8 HD11 LEU 8 -1.417 -3.135 -18.259 66 HD12 LEU 8 HD12 LEU 8 -2.694 -3.817 -17.194 67 HD13 LEU 8 HD13 LEU 8 -1.124 -4.687 -17.389 68 HD21 LEU 8 HD21 LEU 8 -1.563 -0.950 -16.934 69 HD22 LEU 8 HD22 LEU 8 -1.201 -0.944 -15.168 70 HD23 LEU 8 HD23 LEU 8 -2.759 -1.623 -15.768 71 H ALA 9 HN ALA 9 -1.482 -6.530 -13.818 72 HA ALA 9 HA ALA 9 -2.747 -7.851 -15.958 73 HB1 ALA 9 HB1 ALA 9 -0.689 -8.661 -14.788 74 HB2 ALA 9 HB2 ALA 9 -1.645 -8.928 -13.289 75 HB3 ALA 9 HB3 ALA 9 -1.976 -9.921 -14.763 76 H ALA 10 HN ALA 10 -3.746 -7.668 -12.472 77 HA ALA 10 HA ALA 10 -5.919 -9.497 -13.085 78 HB1 ALA 10 HB1 ALA 10 -4.946 -8.263 -10.446 79 HB2 ALA 10 HB2 ALA 10 -6.108 -9.647 -10.617 80 HB3 ALA 10 HB3 ALA 10 -4.396 -9.827 -11.139 81 H LYS 11 HN LYS 11 -5.746 -6.045 -12.869 82 HA LYS 11 HA LYS 11 -8.721 -5.990 -12.712 83 HB2 LYS 11 HB1 LYS 11 -6.624 -4.165 -11.448 84 HB3 LYS 11 HB2 LYS 11 -8.130 -3.431 -12.057 85 HG2 LYS 11 HG1 LYS 11 -8.475 -3.758 -9.765 86 HG3 LYS 11 HG2 LYS 11 -9.512 -4.925 -10.643 87 HD2 LYS 11 HD1 LYS 11 -7.846 -6.739 -10.152 88 HD3 LYS 11 HD2 LYS 11 -6.823 -5.561 -9.260 89 HE2 LYS 11 HE1 LYS 11 -8.627 -5.268 -7.547 90 HE3 LYS 11 HE2 LYS 11 -9.755 -6.284 -8.532 91 HZ1 LYS 11 HZ1 LYS 11 -8.247 -8.135 -8.269 92 HZ2 LYS 11 HZ2 LYS 11 -8.756 -7.553 -6.759 93 HZ3 LYS 11 HZ3 LYS 11 -7.193 -7.204 -7.322 94 H PHE 12 HN PHE 12 -5.767 -4.723 -14.394 95 HA PHE 12 HA PHE 12 -7.584 -3.090 -16.015 96 HB2 PHE 12 HB1 PHE 12 -4.538 -3.096 -15.777 97 HB3 PHE 12 HB2 PHE 12 -5.423 -2.150 -17.011 98 HD1 PHE 12 HD1 PHE 12 -6.171 -0.014 -16.539 99 HD2 PHE 12 HD2 PHE 12 -5.283 -2.654 -13.272 100 HE1 PHE 12 HE1 PHE 12 -6.521 1.846 -14.935 101 HE2 PHE 12 HE2 PHE 12 -5.636 -0.812 -11.678 102 HZ PHE 12 HZ PHE 12 -6.260 1.447 -12.502 103 H GLY 13 HN GLY 13 -6.384 -6.244 -16.330 104 HA2 GLY 13 HA1 GLY 13 -5.730 -6.557 -18.939 105 HA3 GLY 13 HA2 GLY 13 -6.798 -7.679 -18.042 106 HA PRO 14 HA PRO 14 -9.946 -6.472 -20.893 107 HB2 PRO 14 HB1 PRO 14 -12.300 -5.879 -19.488 108 HB3 PRO 14 HB2 PRO 14 -11.588 -7.533 -19.573 109 HG2 PRO 14 HG1 PRO 14 -11.190 -5.465 -17.337 110 HG3 PRO 14 HG2 PRO 14 -11.679 -7.201 -17.177 111 HD2 PRO 14 HD1 PRO 14 -9.070 -6.416 -16.859 112 HD3 PRO 14 HD2 PRO 14 -9.451 -7.961 -17.746 113 H LYS 15 HN LYS 15 -9.324 -4.052 -18.421 114 HA LYS 15 HA LYS 15 -10.544 -1.861 -19.740 115 HB2 LYS 15 HB1 LYS 15 -9.954 -1.826 -17.316 116 HB3 LYS 15 HB2 LYS 15 -8.235 -2.009 -17.744 117 HG2 LYS 15 HG1 LYS 15 -8.504 0.184 -17.065 118 HG3 LYS 15 HG2 LYS 15 -8.235 0.288 -18.813 119 HD2 LYS 15 HD1 LYS 15 -10.981 0.437 -17.351 120 HD3 LYS 15 HD2 LYS 15 -9.974 1.858 -17.708 121 HE2 LYS 15 HE1 LYS 15 -11.435 0.084 -19.770 122 HE3 LYS 15 HE2 LYS 15 -11.746 1.807 -19.344 123 HZ1 LYS 15 HZ1 LYS 15 -9.339 2.160 -20.077 124 HZ2 LYS 15 HZ2 LYS 15 -10.490 1.887 -21.279 125 HZ3 LYS 15 HZ3 LYS 15 -9.463 0.634 -20.809 126 H LEU 16 HN LEU 16 -7.236 -3.215 -19.889 127 HA LEU 16 HA LEU 16 -6.125 -1.427 -21.714 128 HB2 LEU 16 HB1 LEU 16 -4.866 -3.024 -20.264 129 HB3 LEU 16 HB2 LEU 16 -5.555 -4.395 -21.169 130 HG LEU 16 HG LEU 16 -4.363 -3.635 -23.240 131 HD11 LEU 16 HD11 LEU 16 -2.569 -1.884 -23.062 132 HD12 LEU 16 HD12 LEU 16 -3.153 -1.457 -21.413 133 HD13 LEU 16 HD13 LEU 16 -4.210 -1.182 -22.856 134 HD21 LEU 16 HD21 LEU 16 -2.547 -3.929 -20.765 135 HD22 LEU 16 HD22 LEU 16 -2.072 -4.235 -22.477 136 HD23 LEU 16 HD23 LEU 16 -3.312 -5.277 -21.686 137 H PHE 17 HN PHE 17 -7.804 -4.588 -22.287 138 HA PHE 17 HA PHE 17 -7.644 -4.524 -25.065 139 HB2 PHE 17 HB1 PHE 17 -8.339 -6.500 -23.628 140 HB3 PHE 17 HB2 PHE 17 -9.919 -5.695 -23.329 141 HD1 PHE 17 HD1 PHE 17 -11.668 -5.987 -24.908 142 HD2 PHE 17 HD2 PHE 17 -7.637 -6.925 -26.066 143 HE1 PHE 17 HE1 PHE 17 -12.501 -6.953 -27.032 144 HE2 PHE 17 HE2 PHE 17 -8.472 -7.889 -28.188 145 HZ PHE 17 HZ PHE 17 -10.903 -7.907 -28.672 146 H CYS 18 HN CYS 18 -10.206 -3.212 -22.940 147 HA CYS 18 HA CYS 18 -11.822 -2.132 -24.928 148 HB2 CYS 18 HB1 CYS 18 -12.374 -2.590 -22.513 149 HB3 CYS 18 HB2 CYS 18 -11.436 -1.147 -22.049 150 H LEU 19 HN LEU 19 -8.928 -0.578 -23.382 151 HA LEU 19 HA LEU 19 -9.494 1.872 -24.820 152 HB2 LEU 19 HB1 LEU 19 -7.567 2.884 -23.962 153 HB3 LEU 19 HB2 LEU 19 -8.446 2.049 -22.660 154 HG LEU 19 HG LEU 19 -6.634 0.098 -23.234 155 HD11 LEU 19 HD11 LEU 19 -4.389 1.111 -23.641 156 HD12 LEU 19 HD12 LEU 19 -5.138 2.731 -23.863 157 HD13 LEU 19 HD13 LEU 19 -5.462 1.417 -25.050 158 HD21 LEU 19 HD21 LEU 19 -7.015 1.086 -20.989 159 HD22 LEU 19 HD22 LEU 19 -6.105 2.578 -21.477 160 HD23 LEU 19 HD23 LEU 19 -5.255 0.998 -21.352 161 H VAL 20 HN VAL 20 -7.194 -0.884 -25.403 162 HA VAL 20 HA VAL 20 -6.026 0.412 -27.596 163 HB VAL 20 HB VAL 20 -5.020 -1.422 -26.225 164 HG11 VAL 20 HG11 VAL 20 -6.961 -3.051 -26.416 165 HG12 VAL 20 HG12 VAL 20 -6.571 -3.269 -28.167 166 HG13 VAL 20 HG13 VAL 20 -5.377 -3.752 -26.916 167 HG21 VAL 20 HG21 VAL 20 -3.995 -0.474 -28.307 168 HG22 VAL 20 HG22 VAL 20 -3.668 -2.238 -28.153 169 HG23 VAL 20 HG23 VAL 20 -4.916 -1.656 -29.309 170 H THR 21 HN THR 21 -8.909 -1.641 -27.441 171 HA THR 21 HA THR 21 -9.156 -1.656 -30.343 172 HB THR 21 HB THR 21 -11.319 -2.799 -29.993 173 HG1 THR 21 HG1 THR 21 -10.639 -2.936 -27.275 174 HG21 THR 21 HG21 THR 21 -9.188 -4.118 -30.110 175 HG22 THR 21 HG22 THR 21 -10.395 -4.880 -29.014 176 HG23 THR 21 HG23 THR 21 -8.996 -3.987 -28.324 177 H LYS 22 HN LYS 22 -9.342 0.832 -28.419 178 HA LYS 22 HA LYS 22 -10.238 2.824 -28.459 179 HB2 LYS 22 HB1 LYS 22 -9.397 2.412 -30.813 180 HB3 LYS 22 HB2 LYS 22 -11.082 2.127 -31.318 181 HG2 LYS 22 HG1 LYS 22 -11.648 4.504 -30.675 182 HG3 LYS 22 HG2 LYS 22 -9.964 4.739 -30.093 183 HD2 LYS 22 HD1 LYS 22 -9.099 4.221 -32.391 184 HD3 LYS 22 HD2 LYS 22 -10.781 4.020 -32.980 185 HE2 LYS 22 HE1 LYS 22 -11.257 6.448 -32.477 186 HE3 LYS 22 HE2 LYS 22 -9.568 6.648 -31.860 187 HZ1 LYS 22 HZ1 LYS 22 -9.783 7.379 -34.145 188 HZ2 LYS 22 HZ2 LYS 22 -10.333 5.856 -34.636 189 HZ3 LYS 22 HZ3 LYS 22 -8.755 6.038 -34.055 190 H LYS 23 HN LYS 23 -11.865 1.213 -27.028 191 HA LYS 23 HA LYS 23 -14.612 2.051 -27.784 192 HB2 LYS 23 HB1 LYS 23 -13.687 -0.187 -25.906 193 HB3 LYS 23 HB2 LYS 23 -15.382 0.138 -26.372 194 HG2 LYS 23 HG1 LYS 23 -13.176 -0.768 -28.357 195 HG3 LYS 23 HG2 LYS 23 -14.115 -1.872 -27.351 196 HD2 LYS 23 HD1 LYS 23 -15.155 -1.937 -29.460 197 HD3 LYS 23 HD2 LYS 23 -16.263 -1.122 -28.330 198 HE2 LYS 23 HE1 LYS 23 -16.278 -0.099 -30.619 199 HE3 LYS 23 HE2 LYS 23 -15.766 1.091 -29.367 200 HZ1 LYS 23 HZ1 LYS 23 -13.857 1.330 -30.362 201 HZ2 LYS 23 HZ2 LYS 23 -14.383 0.371 -31.662 202 HZ3 LYS 23 HZ3 LYS 23 -13.492 -0.287 -30.379 203 H CYS 24 HN CYS 24 -12.323 1.737 -25.005 204 HA CYS 24 HA CYS 24 -13.516 4.207 -24.010 205 HB2 CYS 24 HB1 CYS 24 -13.920 3.417 -21.710 206 HB3 CYS 24 HB2 CYS 24 -14.969 2.632 -22.916 Start of MODEL 6 1 H1 PHE 1 HN PHE 1 6.050 0.037 -3.786 2 HA PHE 1 HA PHE 1 4.527 1.911 -2.760 3 HB2 PHE 1 HB1 PHE 1 4.468 2.250 -5.834 4 HB3 PHE 1 HB2 PHE 1 3.209 2.951 -4.739 5 HD1 PHE 1 HD1 PHE 1 3.809 4.656 -3.053 6 HD2 PHE 1 HD2 PHE 1 6.622 3.315 -6.007 7 HE1 PHE 1 HE1 PHE 1 5.189 6.671 -2.650 8 HE2 PHE 1 HE2 PHE 1 8.005 5.336 -5.608 9 HZ PHE 1 HZ PHE 1 7.287 7.015 -3.927 10 H LEU 2 HN LEU 2 2.041 1.539 -4.194 11 HA LEU 2 HA LEU 2 1.368 -1.057 -3.464 12 HB2 LEU 2 HB1 LEU 2 -0.036 0.998 -5.262 13 HB3 LEU 2 HB2 LEU 2 -0.755 -0.592 -4.870 14 HG LEU 2 HG LEU 2 -0.590 -0.015 -2.402 15 HD11 LEU 2 HD11 LEU 2 0.967 1.908 -2.358 16 HD12 LEU 2 HD12 LEU 2 -0.655 2.442 -1.823 17 HD13 LEU 2 HD13 LEU 2 -0.103 2.838 -3.488 18 HD21 LEU 2 HD21 LEU 2 -2.687 1.320 -2.475 19 HD22 LEU 2 HD22 LEU 2 -2.706 0.016 -3.717 20 HD23 LEU 2 HD23 LEU 2 -2.387 1.727 -4.203 21 HA PRO 3 HA PRO 3 2.850 -3.326 -6.867 22 HB2 PRO 3 HB1 PRO 3 1.327 -5.646 -6.900 23 HB3 PRO 3 HB2 PRO 3 2.429 -5.196 -5.546 24 HG2 PRO 3 HG1 PRO 3 -0.586 -4.641 -5.711 25 HG3 PRO 3 HG2 PRO 3 0.315 -5.489 -4.382 26 HD2 PRO 3 HD1 PRO 3 -0.248 -2.811 -4.196 27 HD3 PRO 3 HD2 PRO 3 1.397 -3.422 -3.703 28 H ILE 4 HN ILE 4 2.184 -1.596 -8.336 29 HA ILE 4 HA ILE 4 -0.109 -1.487 -9.765 30 HB ILE 4 HB ILE 4 1.500 0.296 -9.598 31 HG12 ILE 4 HG11 ILE 4 0.937 -0.395 -12.544 32 HG13 ILE 4 HG12 ILE 4 -0.283 0.229 -11.389 33 HG21 ILE 4 HG21 ILE 4 3.228 -1.218 -11.668 34 HG22 ILE 4 HG22 ILE 4 3.555 0.388 -10.940 35 HG23 ILE 4 HG23 ILE 4 3.613 -1.070 -9.904 36 HD11 ILE 4 HD1 ILE 4 2.294 1.702 -12.266 37 HD12 ILE 4 HD2 ILE 4 0.607 2.098 -12.746 38 HD13 ILE 4 HD3 ILE 4 1.127 2.304 -11.033 39 H LEU 5 HN LEU 5 2.745 -3.440 -10.746 40 HA LEU 5 HA LEU 5 1.731 -4.183 -13.253 41 HB2 LEU 5 HB1 LEU 5 3.571 -5.779 -11.377 42 HB3 LEU 5 HB2 LEU 5 3.376 -6.055 -13.137 43 HG LEU 5 HG LEU 5 4.535 -3.513 -11.839 44 HD11 LEU 5 HD11 LEU 5 6.010 -5.508 -11.586 45 HD12 LEU 5 HD12 LEU 5 6.703 -4.318 -12.747 46 HD13 LEU 5 HD13 LEU 5 5.909 -5.814 -13.360 47 HD21 LEU 5 HD21 LEU 5 4.311 -4.330 -14.809 48 HD22 LEU 5 HD22 LEU 5 5.240 -2.924 -14.176 49 HD23 LEU 5 HD23 LEU 5 3.450 -2.955 -14.015 50 H ALA 6 HN ALA 6 1.292 -5.786 -10.068 51 HA ALA 6 HA ALA 6 -0.227 -7.963 -11.053 52 HB1 ALA 6 HB1 ALA 6 0.928 -7.953 -8.819 53 HB2 ALA 6 HB2 ALA 6 -0.176 -6.640 -8.266 54 HB3 ALA 6 HB3 ALA 6 -0.831 -8.277 -8.643 55 H SER 7 HN SER 7 -1.149 -4.757 -9.755 56 HA SER 7 HA SER 7 -3.933 -5.088 -10.000 57 HB2 SER 7 HB1 SER 7 -2.706 -3.245 -8.724 58 HB3 SER 7 HB2 SER 7 -2.428 -2.432 -10.301 59 HG SER 7 HG1 SER 7 -4.340 -1.700 -9.242 60 H LEU 8 HN LEU 8 -1.548 -3.841 -12.406 61 HA LEU 8 HA LEU 8 -3.374 -3.198 -14.381 62 HB2 LEU 8 HB1 LEU 8 -0.804 -2.766 -14.142 63 HB3 LEU 8 HB2 LEU 8 -0.577 -4.354 -14.912 64 HG LEU 8 HG LEU 8 -0.281 -2.558 -16.494 65 HD11 LEU 8 HD11 LEU 8 -1.784 -3.094 -18.329 66 HD12 LEU 8 HD12 LEU 8 -3.015 -3.774 -17.210 67 HD13 LEU 8 HD13 LEU 8 -1.423 -4.601 -17.410 68 HD21 LEU 8 HD21 LEU 8 -3.114 -1.535 -15.848 69 HD22 LEU 8 HD22 LEU 8 -1.981 -0.871 -17.084 70 HD23 LEU 8 HD23 LEU 8 -1.560 -0.780 -15.334 71 H ALA 9 HN ALA 9 -1.618 -6.348 -13.906 72 HA ALA 9 HA ALA 9 -2.909 -7.662 -16.027 73 HB1 ALA 9 HB1 ALA 9 -2.004 -9.731 -14.926 74 HB2 ALA 9 HB2 ALA 9 -0.776 -8.414 -14.957 75 HB3 ALA 9 HB3 ALA 9 -1.663 -8.768 -13.435 76 H ALA 10 HN ALA 10 -3.757 -7.639 -12.512 77 HA ALA 10 HA ALA 10 -5.971 -9.435 -13.060 78 HB1 ALA 10 HB1 ALA 10 -4.842 -8.307 -10.431 79 HB2 ALA 10 HB2 ALA 10 -6.033 -9.663 -10.586 80 HB3 ALA 10 HB3 ALA 10 -4.355 -9.854 -11.201 81 H LYS 11 HN LYS 11 -5.828 -6.137 -13.308 82 HA LYS 11 HA LYS 11 -8.733 -6.106 -12.887 83 HB2 LYS 11 HB1 LYS 11 -7.189 -5.098 -10.879 84 HB3 LYS 11 HB2 LYS 11 -7.105 -3.697 -11.941 85 HG2 LYS 11 HG1 LYS 11 -8.920 -3.358 -10.318 86 HG3 LYS 11 HG2 LYS 11 -9.587 -3.508 -11.963 87 HD2 LYS 11 HD1 LYS 11 -11.075 -4.658 -10.562 88 HD3 LYS 11 HD2 LYS 11 -10.235 -5.934 -11.462 89 HE2 LYS 11 HE1 LYS 11 -9.695 -5.089 -8.516 90 HE3 LYS 11 HE2 LYS 11 -10.671 -6.507 -9.061 91 HZ1 LYS 11 HZ1 LYS 11 -8.549 -7.231 -10.239 92 HZ2 LYS 11 HZ2 LYS 11 -8.574 -7.346 -8.549 93 HZ3 LYS 11 HZ3 LYS 11 -7.757 -6.074 -9.325 94 H PHE 12 HN PHE 12 -5.938 -4.722 -14.645 95 HA PHE 12 HA PHE 12 -7.891 -3.237 -16.296 96 HB2 PHE 12 HB1 PHE 12 -4.953 -2.896 -15.642 97 HB3 PHE 12 HB2 PHE 12 -5.479 -2.442 -17.291 98 HD1 PHE 12 HD1 PHE 12 -4.942 -0.149 -17.089 99 HD2 PHE 12 HD2 PHE 12 -7.637 -1.932 -14.242 100 HE1 PHE 12 HE1 PHE 12 -5.554 2.097 -16.246 101 HE2 PHE 12 HE2 PHE 12 -8.255 0.293 -13.435 102 HZ PHE 12 HZ PHE 12 -7.220 2.320 -14.417 103 H GLY 13 HN GLY 13 -6.448 -6.288 -16.314 104 HA2 GLY 13 HA1 GLY 13 -5.625 -6.768 -18.831 105 HA3 GLY 13 HA2 GLY 13 -6.662 -7.891 -17.900 106 HA PRO 14 HA PRO 14 -9.683 -7.135 -21.055 107 HB2 PRO 14 HB1 PRO 14 -12.167 -6.655 -19.849 108 HB3 PRO 14 HB2 PRO 14 -11.328 -8.249 -19.776 109 HG2 PRO 14 HG1 PRO 14 -11.247 -6.017 -17.668 110 HG3 PRO 14 HG2 PRO 14 -11.620 -7.773 -17.418 111 HD2 PRO 14 HD1 PRO 14 -9.096 -6.778 -16.981 112 HD3 PRO 14 HD2 PRO 14 -9.306 -8.395 -17.794 113 H LYS 15 HN LYS 15 -9.335 -4.538 -18.724 114 HA LYS 15 HA LYS 15 -10.690 -2.547 -20.217 115 HB2 LYS 15 HB1 LYS 15 -10.078 -2.338 -17.758 116 HB3 LYS 15 HB2 LYS 15 -8.394 -2.019 -18.279 117 HG2 LYS 15 HG1 LYS 15 -9.290 -0.069 -19.691 118 HG3 LYS 15 HG2 LYS 15 -10.917 -0.395 -19.008 119 HD2 LYS 15 HD1 LYS 15 -9.989 -0.013 -16.690 120 HD3 LYS 15 HD2 LYS 15 -8.396 0.367 -17.388 121 HE2 LYS 15 HE1 LYS 15 -11.024 1.974 -17.813 122 HE3 LYS 15 HE2 LYS 15 -9.622 2.437 -16.770 123 HZ1 LYS 15 HZ1 LYS 15 -9.200 3.584 -18.670 124 HZ2 LYS 15 HZ2 LYS 15 -9.842 2.440 -19.712 125 HZ3 LYS 15 HZ3 LYS 15 -8.329 2.163 -18.999 126 H LEU 16 HN LEU 16 -7.334 -3.739 -20.279 127 HA LEU 16 HA LEU 16 -6.234 -1.877 -22.005 128 HB2 LEU 16 HB1 LEU 16 -5.085 -3.615 -20.591 129 HB3 LEU 16 HB2 LEU 16 -5.595 -4.877 -21.736 130 HG LEU 16 HG LEU 16 -3.207 -4.107 -21.870 131 HD11 LEU 16 HD11 LEU 16 -4.655 -3.640 -24.542 132 HD12 LEU 16 HD12 LEU 16 -4.303 -5.256 -23.813 133 HD13 LEU 16 HD13 LEU 16 -2.956 -4.154 -24.276 134 HD21 LEU 16 HD21 LEU 16 -2.568 -1.996 -22.939 135 HD22 LEU 16 HD22 LEU 16 -3.565 -1.654 -21.476 136 HD23 LEU 16 HD23 LEU 16 -4.288 -1.511 -23.129 137 H PHE 17 HN PHE 17 -7.911 -4.967 -22.809 138 HA PHE 17 HA PHE 17 -7.678 -4.709 -25.590 139 HB2 PHE 17 HB1 PHE 17 -8.289 -6.833 -24.361 140 HB3 PHE 17 HB2 PHE 17 -9.890 -6.117 -23.955 141 HD1 PHE 17 HD1 PHE 17 -11.664 -6.415 -25.485 142 HD2 PHE 17 HD2 PHE 17 -7.629 -6.893 -26.884 143 HE1 PHE 17 HE1 PHE 17 -12.515 -7.155 -27.692 144 HE2 PHE 17 HE2 PHE 17 -8.481 -7.630 -29.088 145 HZ PHE 17 HZ PHE 17 -10.923 -7.759 -29.495 146 H CYS 18 HN CYS 18 -10.359 -3.578 -23.406 147 HA CYS 18 HA CYS 18 -11.705 -2.475 -25.698 148 HB2 CYS 18 HB1 CYS 18 -13.448 -1.738 -24.318 149 HB3 CYS 18 HB2 CYS 18 -12.997 -3.412 -23.924 150 H LEU 19 HN LEU 19 -9.228 -1.070 -23.555 151 HA LEU 19 HA LEU 19 -9.831 1.565 -24.545 152 HB2 LEU 19 HB1 LEU 19 -8.141 2.495 -23.320 153 HB3 LEU 19 HB2 LEU 19 -8.844 1.190 -22.320 154 HG LEU 19 HG LEU 19 -6.798 -0.233 -23.276 155 HD11 LEU 19 HD11 LEU 19 -4.719 1.141 -23.505 156 HD12 LEU 19 HD12 LEU 19 -5.691 2.654 -23.434 157 HD13 LEU 19 HD13 LEU 19 -5.866 1.529 -24.829 158 HD21 LEU 19 HD21 LEU 19 -5.476 0.451 -21.279 159 HD22 LEU 19 HD22 LEU 19 -7.224 0.294 -20.880 160 HD23 LEU 19 HD23 LEU 19 -6.479 1.937 -21.102 161 H VAL 20 HN VAL 20 -7.445 -0.965 -25.581 162 HA VAL 20 HA VAL 20 -6.334 0.715 -27.543 163 HB VAL 20 HB VAL 20 -5.245 -1.300 -26.601 164 HG11 VAL 20 HG11 VAL 20 -7.003 -2.832 -28.641 165 HG12 VAL 20 HG12 VAL 20 -5.651 -3.495 -27.663 166 HG13 VAL 20 HG13 VAL 20 -7.144 -2.927 -26.839 167 HG21 VAL 20 HG21 VAL 20 -5.379 -1.076 -29.684 168 HG22 VAL 20 HG22 VAL 20 -4.385 -0.038 -28.591 169 HG23 VAL 20 HG23 VAL 20 -4.047 -1.802 -28.719 170 H THR 21 HN THR 21 -9.204 -1.351 -27.636 171 HA THR 21 HA THR 21 -9.702 -0.720 -30.437 172 HB THR 21 HB THR 21 -11.847 -1.938 -30.139 173 HG1 THR 21 HG1 THR 21 -10.874 -2.812 -27.681 174 HG21 THR 21 HG21 THR 21 -9.350 -3.443 -29.084 175 HG22 THR 21 HG22 THR 21 -9.751 -3.155 -30.816 176 HG23 THR 21 HG23 THR 21 -10.825 -4.179 -29.799 177 H LYS 22 HN LYS 22 -9.662 1.245 -27.992 178 HA LYS 22 HA LYS 22 -10.379 3.257 -27.621 179 HB2 LYS 22 HB1 LYS 22 -11.454 3.104 -30.472 180 HB3 LYS 22 HB2 LYS 22 -11.119 4.615 -29.559 181 HG2 LYS 22 HG1 LYS 22 -8.697 4.049 -29.456 182 HG3 LYS 22 HG2 LYS 22 -9.000 2.473 -30.242 183 HD2 LYS 22 HD1 LYS 22 -9.874 3.651 -32.281 184 HD3 LYS 22 HD2 LYS 22 -9.408 5.225 -31.543 185 HE2 LYS 22 HE1 LYS 22 -6.996 4.481 -31.472 186 HE3 LYS 22 HE2 LYS 22 -7.467 2.871 -32.144 187 HZ1 LYS 22 HZ1 LYS 22 -8.238 3.984 -34.142 188 HZ2 LYS 22 HZ2 LYS 22 -6.613 4.343 -33.842 189 HZ3 LYS 22 HZ3 LYS 22 -7.807 5.499 -33.518 190 H LYS 23 HN LYS 23 -12.053 1.473 -26.402 191 HA LYS 23 HA LYS 23 -14.663 2.878 -26.506 192 HB2 LYS 23 HB1 LYS 23 -14.055 0.109 -25.331 193 HB3 LYS 23 HB2 LYS 23 -15.671 0.800 -25.627 194 HG2 LYS 23 HG1 LYS 23 -13.680 0.023 -27.888 195 HG3 LYS 23 HG2 LYS 23 -14.737 -1.127 -27.069 196 HD2 LYS 23 HD1 LYS 23 -15.869 -0.610 -29.061 197 HD3 LYS 23 HD2 LYS 23 -16.784 0.107 -27.713 198 HE2 LYS 23 HE1 LYS 23 -16.764 1.598 -29.709 199 HE3 LYS 23 HE2 LYS 23 -15.938 2.390 -28.314 200 HZ1 LYS 23 HZ1 LYS 23 -14.161 2.565 -29.498 201 HZ2 LYS 23 HZ2 LYS 23 -14.897 1.868 -30.865 202 HZ3 LYS 23 HZ3 LYS 23 -14.012 0.929 -29.759 203 H CYS 24 HN CYS 24 -12.236 1.337 -24.332 204 HA CYS 24 HA CYS 24 -13.518 2.666 -22.037 205 HB2 CYS 24 HB1 CYS 24 -11.352 0.506 -22.080 206 HB3 CYS 24 HB2 CYS 24 -12.226 1.104 -20.630 Start of MODEL 7 1 H1 PHE 1 HN PHE 1 6.387 1.308 -2.551 2 HA PHE 1 HA PHE 1 5.610 -1.063 -2.470 3 HB2 PHE 1 HB1 PHE 1 3.870 1.052 -1.017 4 HB3 PHE 1 HB2 PHE 1 3.997 -0.687 -0.545 5 HD1 PHE 1 HD1 PHE 1 6.373 -1.600 -0.054 6 HD2 PHE 1 HD2 PHE 1 5.392 2.584 -0.088 7 HE1 PHE 1 HE1 PHE 1 8.373 -1.119 1.326 8 HE2 PHE 1 HE2 PHE 1 7.392 3.063 1.294 9 HZ PHE 1 HZ PHE 1 8.884 1.212 2.000 10 H LEU 2 HN LEU 2 3.601 1.311 -3.988 11 HA LEU 2 HA LEU 2 1.194 -0.103 -4.083 12 HB2 LEU 2 HB1 LEU 2 2.273 2.070 -5.948 13 HB3 LEU 2 HB2 LEU 2 0.607 1.422 -6.032 14 HG LEU 2 HG LEU 2 0.514 3.505 -4.944 15 HD11 LEU 2 HD11 LEU 2 -0.991 1.718 -4.028 16 HD12 LEU 2 HD12 LEU 2 -0.590 2.988 -2.815 17 HD13 LEU 2 HD13 LEU 2 0.218 1.388 -2.725 18 HD21 LEU 2 HD21 LEU 2 2.475 2.623 -2.748 19 HD22 LEU 2 HD22 LEU 2 1.656 4.207 -2.928 20 HD23 LEU 2 HD23 LEU 2 2.889 3.702 -4.140 21 HA PRO 3 HA PRO 3 2.825 -2.896 -7.142 22 HB2 PRO 3 HB1 PRO 3 1.057 -4.976 -6.982 23 HB3 PRO 3 HB2 PRO 3 1.993 -4.433 -5.539 24 HG2 PRO 3 HG1 PRO 3 -0.870 -3.585 -6.275 25 HG3 PRO 3 HG2 PRO 3 -0.296 -4.327 -4.719 26 HD2 PRO 3 HD1 PRO 3 -0.485 -1.583 -4.998 27 HD3 PRO 3 HD2 PRO 3 0.913 -2.348 -4.117 28 H ILE 4 HN ILE 4 2.198 -0.990 -8.609 29 HA ILE 4 HA ILE 4 -0.131 -0.888 -10.053 30 HB ILE 4 HB ILE 4 1.409 0.918 -9.725 31 HG12 ILE 4 HG11 ILE 4 -0.355 0.945 -11.561 32 HG13 ILE 4 HG12 ILE 4 0.963 2.146 -11.613 33 HG21 ILE 4 HG21 ILE 4 3.443 1.234 -11.083 34 HG22 ILE 4 HG22 ILE 4 3.583 -0.223 -10.046 35 HG23 ILE 4 HG23 ILE 4 3.259 -0.393 -11.817 36 HD11 ILE 4 HD1 ILE 4 0.797 -0.349 -13.434 37 HD12 ILE 4 HD2 ILE 4 0.466 1.353 -13.888 38 HD13 ILE 4 HD3 ILE 4 2.130 0.868 -13.426 39 H LEU 5 HN LEU 5 2.860 -2.616 -11.080 40 HA LEU 5 HA LEU 5 1.855 -3.381 -13.569 41 HB2 LEU 5 HB1 LEU 5 3.684 -4.901 -13.739 42 HB3 LEU 5 HB2 LEU 5 4.257 -3.391 -12.990 43 HG LEU 5 HG LEU 5 3.687 -6.032 -11.504 44 HD11 LEU 5 HD11 LEU 5 6.349 -4.731 -12.337 45 HD12 LEU 5 HD12 LEU 5 5.597 -6.191 -13.083 46 HD13 LEU 5 HD13 LEU 5 6.154 -6.239 -11.370 47 HD21 LEU 5 HD21 LEU 5 3.467 -4.151 -9.881 48 HD22 LEU 5 HD22 LEU 5 5.016 -3.431 -10.487 49 HD23 LEU 5 HD23 LEU 5 5.021 -5.006 -9.625 50 H ALA 6 HN ALA 6 1.602 -5.099 -10.434 51 HA ALA 6 HA ALA 6 0.285 -7.381 -11.471 52 HB1 ALA 6 HB1 ALA 6 1.448 -7.319 -9.242 53 HB2 ALA 6 HB2 ALA 6 0.229 -6.131 -8.651 54 HB3 ALA 6 HB3 ALA 6 -0.272 -7.814 -9.068 55 H SER 7 HN SER 7 -0.919 -4.309 -10.092 56 HA SER 7 HA SER 7 -3.664 -4.873 -10.329 57 HB2 SER 7 HB1 SER 7 -2.590 -2.952 -9.033 58 HB3 SER 7 HB2 SER 7 -2.364 -2.103 -10.598 59 HG SER 7 HG1 SER 7 -4.313 -1.513 -9.533 60 H LEU 8 HN LEU 8 -1.409 -3.369 -12.721 61 HA LEU 8 HA LEU 8 -3.305 -2.839 -14.656 62 HB2 LEU 8 HB1 LEU 8 -0.766 -2.216 -14.419 63 HB3 LEU 8 HB2 LEU 8 -0.438 -3.736 -15.284 64 HG LEU 8 HG LEU 8 -0.326 -1.832 -16.765 65 HD11 LEU 8 HD11 LEU 8 -1.324 -3.907 -17.773 66 HD12 LEU 8 HD12 LEU 8 -1.837 -2.385 -18.590 67 HD13 LEU 8 HD13 LEU 8 -2.972 -3.230 -17.482 68 HD21 LEU 8 HD21 LEU 8 -3.219 -1.081 -16.015 69 HD22 LEU 8 HD22 LEU 8 -2.161 -0.254 -17.216 70 HD23 LEU 8 HD23 LEU 8 -1.722 -0.237 -15.468 71 H ALA 9 HN ALA 9 -1.295 -5.842 -14.281 72 HA ALA 9 HA ALA 9 -2.506 -7.208 -16.423 73 HB1 ALA 9 HB1 ALA 9 -1.394 -9.212 -15.399 74 HB2 ALA 9 HB2 ALA 9 -0.290 -7.789 -15.419 75 HB3 ALA 9 HB3 ALA 9 -1.106 -8.262 -13.889 76 H ALA 10 HN ALA 10 -3.286 -7.363 -12.885 77 HA ALA 10 HA ALA 10 -5.306 -9.370 -13.480 78 HB1 ALA 10 HB1 ALA 10 -5.263 -9.731 -11.023 79 HB2 ALA 10 HB2 ALA 10 -3.594 -9.717 -11.694 80 HB3 ALA 10 HB3 ALA 10 -4.214 -8.271 -10.826 81 H LYS 11 HN LYS 11 -5.472 -6.016 -13.359 82 HA LYS 11 HA LYS 11 -8.360 -6.271 -12.807 83 HB2 LYS 11 HB1 LYS 11 -6.893 -5.490 -10.773 84 HB3 LYS 11 HB2 LYS 11 -6.647 -3.985 -11.677 85 HG2 LYS 11 HG1 LYS 11 -8.432 -3.669 -10.029 86 HG3 LYS 11 HG2 LYS 11 -9.093 -3.526 -11.675 87 HD2 LYS 11 HD1 LYS 11 -10.623 -4.774 -10.137 88 HD3 LYS 11 HD2 LYS 11 -10.158 -5.689 -11.590 89 HE2 LYS 11 HE1 LYS 11 -10.230 -7.149 -9.560 90 HE3 LYS 11 HE2 LYS 11 -8.589 -7.115 -10.304 91 HZ1 LYS 11 HZ1 LYS 11 -8.450 -6.894 -7.942 92 HZ2 LYS 11 HZ2 LYS 11 -9.479 -5.542 -7.935 93 HZ3 LYS 11 HZ3 LYS 11 -7.957 -5.447 -8.680 94 H PHE 12 HN PHE 12 -5.786 -4.561 -14.611 95 HA PHE 12 HA PHE 12 -7.916 -2.995 -15.923 96 HB2 PHE 12 HB1 PHE 12 -4.862 -2.756 -15.965 97 HB3 PHE 12 HB2 PHE 12 -5.908 -1.905 -17.137 98 HD1 PHE 12 HD1 PHE 12 -6.419 0.272 -16.685 99 HD2 PHE 12 HD2 PHE 12 -5.685 -2.365 -13.375 100 HE1 PHE 12 HE1 PHE 12 -6.659 2.173 -15.107 101 HE2 PHE 12 HE2 PHE 12 -5.946 -0.489 -11.812 102 HZ PHE 12 HZ PHE 12 -6.437 1.790 -12.667 103 H GLY 13 HN GLY 13 -6.435 -6.020 -16.413 104 HA2 GLY 13 HA1 GLY 13 -5.728 -6.199 -18.972 105 HA3 GLY 13 HA2 GLY 13 -6.702 -7.455 -18.155 106 HA PRO 14 HA PRO 14 -9.764 -6.600 -21.199 107 HB2 PRO 14 HB1 PRO 14 -12.274 -6.349 -19.977 108 HB3 PRO 14 HB2 PRO 14 -11.339 -7.889 -20.006 109 HG2 PRO 14 HG1 PRO 14 -11.394 -5.803 -17.752 110 HG3 PRO 14 HG2 PRO 14 -11.659 -7.592 -17.623 111 HD2 PRO 14 HD1 PRO 14 -9.198 -6.478 -17.110 112 HD3 PRO 14 HD2 PRO 14 -9.312 -8.045 -18.034 113 H LYS 15 HN LYS 15 -9.588 -4.144 -18.718 114 HA LYS 15 HA LYS 15 -10.996 -2.097 -20.136 115 HB2 LYS 15 HB1 LYS 15 -10.624 -2.075 -17.661 116 HB3 LYS 15 HB2 LYS 15 -8.867 -1.884 -17.933 117 HG2 LYS 15 HG1 LYS 15 -9.244 0.316 -19.029 118 HG3 LYS 15 HG2 LYS 15 -11.024 0.113 -18.860 119 HD2 LYS 15 HD1 LYS 15 -10.792 0.108 -16.357 120 HD3 LYS 15 HD2 LYS 15 -9.020 0.123 -16.509 121 HE2 LYS 15 HE1 LYS 15 -9.801 2.379 -15.887 122 HE3 LYS 15 HE2 LYS 15 -9.067 2.409 -17.539 123 HZ1 LYS 15 HZ1 LYS 15 -11.980 2.258 -16.917 124 HZ2 LYS 15 HZ2 LYS 15 -11.290 2.283 -18.464 125 HZ3 LYS 15 HZ3 LYS 15 -11.141 3.633 -17.447 126 H LEU 16 HN LEU 16 -7.580 -3.101 -19.961 127 HA LEU 16 HA LEU 16 -6.460 -1.184 -21.631 128 HB2 LEU 16 HB1 LEU 16 -5.227 -2.758 -20.106 129 HB3 LEU 16 HB2 LEU 16 -5.685 -4.120 -21.162 130 HG LEU 16 HG LEU 16 -4.373 -3.069 -23.049 131 HD11 LEU 16 HD11 LEU 16 -2.732 -1.248 -22.508 132 HD12 LEU 16 HD12 LEU 16 -3.493 -1.044 -20.888 133 HD13 LEU 16 HD13 LEU 16 -4.429 -0.670 -22.391 134 HD21 LEU 16 HD21 LEU 16 -3.377 -4.813 -21.582 135 HD22 LEU 16 HD22 LEU 16 -2.804 -3.543 -20.438 136 HD23 LEU 16 HD23 LEU 16 -2.133 -3.620 -22.111 137 H PHE 17 HN PHE 17 -7.841 -4.423 -22.454 138 HA PHE 17 HA PHE 17 -7.472 -4.211 -25.221 139 HB2 PHE 17 HB1 PHE 17 -8.106 -6.323 -23.972 140 HB3 PHE 17 HB2 PHE 17 -9.753 -5.647 -23.709 141 HD1 PHE 17 HD1 PHE 17 -11.377 -5.741 -25.472 142 HD2 PHE 17 HD2 PHE 17 -7.274 -6.683 -26.330 143 HE1 PHE 17 HE1 PHE 17 -12.030 -6.531 -27.731 144 HE2 PHE 17 HE2 PHE 17 -7.929 -7.482 -28.582 145 HZ PHE 17 HZ PHE 17 -10.306 -7.404 -29.283 146 H CYS 18 HN CYS 18 -10.273 -3.177 -23.206 147 HA CYS 18 HA CYS 18 -11.796 -2.215 -25.334 148 HB2 CYS 18 HB1 CYS 18 -12.584 -2.712 -22.977 149 HB3 CYS 18 HB2 CYS 18 -11.781 -1.217 -22.426 150 H LEU 19 HN LEU 19 -9.416 -0.366 -23.336 151 HA LEU 19 HA LEU 19 -9.946 2.023 -24.777 152 HB2 LEU 19 HB1 LEU 19 -8.262 3.125 -23.560 153 HB3 LEU 19 HB2 LEU 19 -9.167 2.039 -22.468 154 HG LEU 19 HG LEU 19 -7.130 0.363 -23.003 155 HD11 LEU 19 HD11 LEU 19 -4.949 1.593 -23.095 156 HD12 LEU 19 HD12 LEU 19 -5.824 3.154 -23.294 157 HD13 LEU 19 HD13 LEU 19 -5.903 1.904 -24.586 158 HD21 LEU 19 HD21 LEU 19 -6.031 1.190 -20.919 159 HD22 LEU 19 HD22 LEU 19 -7.827 1.156 -20.754 160 HD23 LEU 19 HD23 LEU 19 -6.967 2.728 -21.027 161 H VAL 20 HN VAL 20 -7.445 -0.546 -25.342 162 HA VAL 20 HA VAL 20 -6.176 1.034 -27.301 163 HB VAL 20 HB VAL 20 -5.113 -0.850 -26.104 164 HG11 VAL 20 HG11 VAL 20 -5.267 -3.118 -27.051 165 HG12 VAL 20 HG12 VAL 20 -6.894 -2.591 -26.489 166 HG13 VAL 20 HG13 VAL 20 -6.499 -2.600 -28.253 167 HG21 VAL 20 HG21 VAL 20 -3.652 -1.381 -28.048 168 HG22 VAL 20 HG22 VAL 20 -4.902 -0.782 -29.192 169 HG23 VAL 20 HG23 VAL 20 -4.097 0.363 -28.050 170 H THR 21 HN THR 21 -8.854 -1.390 -27.683 171 HA THR 21 HA THR 21 -9.002 -0.982 -30.490 172 HB THR 21 HB THR 21 -11.219 -1.936 -30.491 173 HG1 THR 21 HG1 THR 21 -11.954 -2.740 -28.457 174 HG21 THR 21 HG21 THR 21 -9.190 -3.438 -30.348 175 HG22 THR 21 HG22 THR 21 -10.629 -4.157 -29.541 176 HG23 THR 21 HG23 THR 21 -9.320 -3.432 -28.551 177 H LYS 22 HN LYS 22 -10.560 0.572 -27.745 178 HA LYS 22 HA LYS 22 -11.303 2.610 -27.387 179 HB2 LYS 22 HB1 LYS 22 -11.144 3.242 -30.369 180 HB3 LYS 22 HB2 LYS 22 -11.572 4.408 -29.091 181 HG2 LYS 22 HG1 LYS 22 -9.388 4.513 -28.205 182 HG3 LYS 22 HG2 LYS 22 -8.896 2.949 -28.877 183 HD2 LYS 22 HD1 LYS 22 -9.665 4.738 -31.089 184 HD3 LYS 22 HD2 LYS 22 -8.527 5.586 -30.014 185 HE2 LYS 22 HE1 LYS 22 -7.372 4.368 -31.899 186 HE3 LYS 22 HE2 LYS 22 -6.826 3.804 -30.269 187 HZ1 LYS 22 HZ1 LYS 22 -9.082 2.322 -31.312 188 HZ2 LYS 22 HZ2 LYS 22 -7.673 1.806 -30.601 189 HZ3 LYS 22 HZ3 LYS 22 -7.670 2.175 -32.249 190 H LYS 23 HN LYS 23 -12.707 0.100 -28.323 191 HA LYS 23 HA LYS 23 -15.416 1.213 -28.425 192 HB2 LYS 23 HB1 LYS 23 -14.299 1.211 -30.791 193 HB3 LYS 23 HB2 LYS 23 -14.316 -0.569 -30.694 194 HG2 LYS 23 HG1 LYS 23 -16.849 -0.478 -30.546 195 HG3 LYS 23 HG2 LYS 23 -16.762 1.317 -30.615 196 HD2 LYS 23 HD1 LYS 23 -15.674 1.151 -32.897 197 HD3 LYS 23 HD2 LYS 23 -15.657 -0.625 -32.751 198 HE2 LYS 23 HE1 LYS 23 -17.487 0.026 -34.258 199 HE3 LYS 23 HE2 LYS 23 -18.173 -0.695 -32.748 200 HZ1 LYS 23 HZ1 LYS 23 -18.530 1.541 -31.919 201 HZ2 LYS 23 HZ2 LYS 23 -19.331 1.312 -33.400 202 HZ3 LYS 23 HZ3 LYS 23 -17.896 2.214 -33.340 203 H CYS 24 HN CYS 24 -13.461 -0.897 -26.988 204 HA CYS 24 HA CYS 24 -13.495 -2.925 -26.143 205 HB2 CYS 24 HB2 CYS 24 -16.535 -2.718 -26.265 206 HB3 CYS 24 HB1 CYS 24 -15.621 -3.977 -25.371 Start of MODEL 8 1 H1 PHE 1 HN PHE 1 7.166 -1.049 -2.082 2 HA PHE 1 HA PHE 1 5.336 0.858 -1.477 3 HB2 PHE 1 HB1 PHE 1 6.471 2.154 -3.382 4 HB3 PHE 1 HB2 PHE 1 5.993 0.837 -4.506 5 HD1 PHE 1 HD1 PHE 1 3.977 1.132 -5.666 6 HD2 PHE 1 HD2 PHE 1 4.489 3.166 -1.920 7 HE1 PHE 1 HE1 PHE 1 1.772 2.230 -5.963 8 HE2 PHE 1 HE2 PHE 1 2.287 4.257 -2.208 9 HZ PHE 1 HZ PHE 1 0.923 3.790 -4.225 10 H LEU 2 HN LEU 2 3.166 0.251 -2.800 11 HA LEU 2 HA LEU 2 2.654 -2.479 -2.470 12 HB2 LEU 2 HB1 LEU 2 1.120 -0.243 -3.922 13 HB3 LEU 2 HB2 LEU 2 0.492 -1.912 -3.766 14 HG LEU 2 HG LEU 2 0.681 -1.666 -1.225 15 HD11 LEU 2 HD11 LEU 2 0.425 0.693 -0.346 16 HD12 LEU 2 HD12 LEU 2 0.913 1.329 -1.958 17 HD13 LEU 2 HD13 LEU 2 2.075 0.365 -0.960 18 HD21 LEU 2 HD21 LEU 2 -1.460 -1.647 -2.502 19 HD22 LEU 2 HD22 LEU 2 -1.288 0.133 -2.773 20 HD23 LEU 2 HD23 LEU 2 -1.519 -0.510 -1.107 21 HA PRO 3 HA PRO 3 4.029 -3.965 -6.430 22 HB2 PRO 3 HB1 PRO 3 2.565 -6.290 -6.812 23 HB3 PRO 3 HB2 PRO 3 3.774 -6.097 -5.487 24 HG2 PRO 3 HG1 PRO 3 0.744 -5.641 -5.285 25 HG3 PRO 3 HG2 PRO 3 1.775 -6.717 -4.248 26 HD2 PRO 3 HD1 PRO 3 1.165 -4.160 -3.452 27 HD3 PRO 3 HD2 PRO 3 2.851 -4.805 -3.210 28 H ILE 4 HN ILE 4 2.975 -1.899 -7.179 29 HA ILE 4 HA ILE 4 0.503 -1.710 -8.282 30 HB ILE 4 HB ILE 4 1.853 0.164 -7.629 31 HG12 ILE 4 HG11 ILE 4 1.072 0.396 -10.597 32 HG13 ILE 4 HG12 ILE 4 -0.092 0.386 -9.234 33 HG21 ILE 4 HG21 ILE 4 4.088 -0.643 -8.495 34 HG22 ILE 4 HG22 ILE 4 3.537 -0.285 -10.183 35 HG23 ILE 4 HG23 ILE 4 3.711 1.036 -8.982 36 HD11 ILE 4 HD1 ILE 4 1.028 2.440 -8.266 37 HD12 ILE 4 HD2 ILE 4 2.142 2.482 -9.681 38 HD13 ILE 4 HD3 ILE 4 0.377 2.721 -9.921 39 H LEU 5 HN LEU 5 3.443 -2.722 -10.097 40 HA LEU 5 HA LEU 5 2.235 -2.687 -12.617 41 HB2 LEU 5 HB1 LEU 5 4.467 -4.537 -11.601 42 HB3 LEU 5 HB2 LEU 5 4.100 -4.181 -13.318 43 HG LEU 5 HG LEU 5 5.083 -2.137 -11.233 44 HD11 LEU 5 HD11 LEU 5 6.534 -3.469 -13.603 45 HD12 LEU 5 HD12 LEU 5 6.813 -3.822 -11.856 46 HD13 LEU 5 HD13 LEU 5 7.206 -2.194 -12.522 47 HD21 LEU 5 HD21 LEU 5 5.420 -0.630 -13.213 48 HD22 LEU 5 HD22 LEU 5 3.680 -1.002 -12.956 49 HD23 LEU 5 HD23 LEU 5 4.601 -1.835 -14.269 50 H ALA 6 HN ALA 6 2.377 -5.393 -10.256 51 HA ALA 6 HA ALA 6 1.041 -7.274 -11.897 52 HB1 ALA 6 HB1 ALA 6 0.754 -8.518 -9.728 53 HB2 ALA 6 HB2 ALA 6 2.431 -7.896 -9.903 54 HB3 ALA 6 HB3 ALA 6 1.267 -7.042 -8.826 55 H SER 7 HN SER 7 -0.117 -4.962 -9.433 56 HA SER 7 HA SER 7 -2.848 -5.630 -9.592 57 HB2 SER 7 HB1 SER 7 -1.714 -4.227 -7.790 58 HB3 SER 7 HB2 SER 7 -1.696 -2.857 -8.949 59 HG SER 7 HG1 SER 7 -3.529 -2.821 -7.580 60 H LEU 8 HN LEU 8 -0.955 -3.208 -11.468 61 HA LEU 8 HA LEU 8 -3.041 -2.086 -12.888 62 HB2 LEU 8 HB1 LEU 8 -0.532 -1.443 -12.625 63 HB3 LEU 8 HB2 LEU 8 -0.183 -2.595 -13.936 64 HG LEU 8 HG LEU 8 -0.181 -0.273 -14.664 65 HD11 LEU 8 HD11 LEU 8 -1.606 -0.314 -16.631 66 HD12 LEU 8 HD12 LEU 8 -2.680 -1.562 -15.902 67 HD13 LEU 8 HD13 LEU 8 -0.976 -1.975 -16.327 68 HD21 LEU 8 HD21 LEU 8 -2.149 1.210 -14.624 69 HD22 LEU 8 HD22 LEU 8 -1.715 0.675 -12.958 70 HD23 LEU 8 HD23 LEU 8 -3.128 -0.064 -13.802 71 H ALA 9 HN ALA 9 -1.002 -4.934 -13.808 72 HA ALA 9 HA ALA 9 -2.336 -5.467 -16.220 73 HB1 ALA 9 HB1 ALA 9 -1.237 -7.720 -16.002 74 HB2 ALA 9 HB2 ALA 9 -0.096 -6.391 -15.580 75 HB3 ALA 9 HB3 ALA 9 -0.867 -7.354 -14.272 76 H ALA 10 HN ALA 10 -2.953 -6.805 -12.920 77 HA ALA 10 HA ALA 10 -5.043 -8.497 -13.714 78 HB1 ALA 10 HB1 ALA 10 -5.506 -8.625 -11.251 79 HB2 ALA 10 HB2 ALA 10 -3.739 -8.709 -11.590 80 HB3 ALA 10 HB3 ALA 10 -4.452 -7.171 -10.996 81 H LYS 11 HN LYS 11 -5.227 -5.123 -12.422 82 HA LYS 11 HA LYS 11 -8.099 -5.179 -12.513 83 HB2 LYS 11 HB1 LYS 11 -6.204 -2.814 -12.116 84 HB3 LYS 11 HB2 LYS 11 -7.977 -2.793 -11.836 85 HG2 LYS 11 HG1 LYS 11 -5.878 -4.420 -10.265 86 HG3 LYS 11 HG2 LYS 11 -6.685 -2.926 -9.729 87 HD2 LYS 11 HD1 LYS 11 -8.894 -4.120 -9.727 88 HD3 LYS 11 HD2 LYS 11 -8.078 -5.617 -10.305 89 HE2 LYS 11 HE1 LYS 11 -6.651 -5.658 -8.221 90 HE3 LYS 11 HE2 LYS 11 -7.507 -4.187 -7.614 91 HZ1 LYS 11 HZ1 LYS 11 -8.420 -6.218 -6.698 92 HZ2 LYS 11 HZ2 LYS 11 -8.769 -6.815 -8.245 93 HZ3 LYS 11 HZ3 LYS 11 -9.573 -5.439 -7.664 94 H PHE 12 HN PHE 12 -5.587 -3.835 -14.747 95 HA PHE 12 HA PHE 12 -7.801 -2.668 -16.301 96 HB2 PHE 12 HB1 PHE 12 -4.788 -2.167 -16.410 97 HB3 PHE 12 HB2 PHE 12 -5.965 -1.459 -17.560 98 HD1 PHE 12 HD1 PHE 12 -4.289 0.410 -16.402 99 HD2 PHE 12 HD2 PHE 12 -7.833 -1.289 -14.624 100 HE1 PHE 12 HE1 PHE 12 -4.528 2.394 -14.946 101 HE2 PHE 12 HE2 PHE 12 -8.044 0.662 -13.185 102 HZ PHE 12 HZ PHE 12 -6.398 2.515 -13.313 103 H GLY 13 HN GLY 13 -6.380 -5.660 -16.363 104 HA2 GLY 13 HA1 GLY 13 -5.781 -6.235 -18.931 105 HA3 GLY 13 HA2 GLY 13 -6.777 -7.281 -17.876 106 HA PRO 14 HA PRO 14 -10.022 -6.576 -20.777 107 HB2 PRO 14 HB1 PRO 14 -12.385 -5.911 -19.420 108 HB3 PRO 14 HB2 PRO 14 -11.593 -7.526 -19.293 109 HG2 PRO 14 HG1 PRO 14 -11.267 -5.152 -17.372 110 HG3 PRO 14 HG2 PRO 14 -11.673 -6.869 -16.962 111 HD2 PRO 14 HD1 PRO 14 -9.095 -5.946 -16.800 112 HD3 PRO 14 HD2 PRO 14 -9.421 -7.604 -17.476 113 H LYS 15 HN LYS 15 -9.406 -3.843 -18.712 114 HA LYS 15 HA LYS 15 -10.733 -1.849 -20.264 115 HB2 LYS 15 HB1 LYS 15 -10.072 -1.546 -17.881 116 HB3 LYS 15 HB2 LYS 15 -8.350 -1.662 -18.353 117 HG2 LYS 15 HG1 LYS 15 -8.586 0.425 -19.731 118 HG3 LYS 15 HG2 LYS 15 -10.297 0.573 -19.208 119 HD2 LYS 15 HD1 LYS 15 -9.593 0.752 -16.838 120 HD3 LYS 15 HD2 LYS 15 -7.901 0.364 -17.294 121 HE2 LYS 15 HE1 LYS 15 -7.710 2.515 -18.570 122 HE3 LYS 15 HE2 LYS 15 -9.398 2.956 -18.083 123 HZ1 LYS 15 HZ1 LYS 15 -7.191 2.325 -16.178 124 HZ2 LYS 15 HZ2 LYS 15 -8.731 2.900 -15.799 125 HZ3 LYS 15 HZ3 LYS 15 -7.643 3.895 -16.639 126 H LEU 16 HN LEU 16 -7.438 -3.255 -20.368 127 HA LEU 16 HA LEU 16 -6.372 -1.659 -22.377 128 HB2 LEU 16 HB1 LEU 16 -5.096 -3.214 -20.890 129 HB3 LEU 16 HB2 LEU 16 -5.858 -4.609 -21.699 130 HG LEU 16 HG LEU 16 -4.745 -3.976 -23.854 131 HD11 LEU 16 HD11 LEU 16 -4.499 -1.518 -23.584 132 HD12 LEU 16 HD12 LEU 16 -2.891 -2.281 -23.837 133 HD13 LEU 16 HD13 LEU 16 -3.381 -1.765 -22.182 134 HD21 LEU 16 HD21 LEU 16 -2.822 -4.230 -21.458 135 HD22 LEU 16 HD22 LEU 16 -2.443 -4.625 -23.176 136 HD23 LEU 16 HD23 LEU 16 -3.677 -5.587 -22.282 137 H PHE 17 HN PHE 17 -8.224 -4.738 -22.669 138 HA PHE 17 HA PHE 17 -8.292 -4.815 -25.478 139 HB2 PHE 17 HB1 PHE 17 -8.919 -6.763 -24.065 140 HB3 PHE 17 HB2 PHE 17 -10.286 -5.833 -23.355 141 HD1 PHE 17 HD1 PHE 17 -12.355 -6.440 -24.170 142 HD2 PHE 17 HD2 PHE 17 -8.997 -6.645 -26.846 143 HE1 PHE 17 HE1 PHE 17 -13.849 -7.223 -25.990 144 HE2 PHE 17 HE2 PHE 17 -10.493 -7.405 -28.663 145 HZ PHE 17 HZ PHE 17 -12.918 -7.686 -28.241 146 H CYS 18 HN CYS 18 -10.524 -3.220 -23.150 147 HA CYS 18 HA CYS 18 -12.295 -2.270 -25.072 148 HB2 CYS 18 HB1 CYS 18 -12.514 -2.380 -22.491 149 HB3 CYS 18 HB2 CYS 18 -11.658 -0.820 -22.448 150 H LEU 19 HN LEU 19 -9.417 -0.564 -23.747 151 HA LEU 19 HA LEU 19 -9.874 1.711 -25.378 152 HB2 LEU 19 HB1 LEU 19 -7.908 2.692 -24.504 153 HB3 LEU 19 HB2 LEU 19 -8.784 1.845 -23.200 154 HG LEU 19 HG LEU 19 -7.068 -0.140 -23.788 155 HD11 LEU 19 HD11 LEU 19 -5.871 1.044 -25.669 156 HD12 LEU 19 HD12 LEU 19 -4.778 0.763 -24.270 157 HD13 LEU 19 HD13 LEU 19 -5.473 2.401 -24.550 158 HD21 LEU 19 HD21 LEU 19 -6.342 2.354 -22.125 159 HD22 LEU 19 HD22 LEU 19 -5.607 0.714 -21.956 160 HD23 LEU 19 HD23 LEU 19 -7.355 0.956 -21.580 161 H VAL 20 HN VAL 20 -7.862 -1.235 -25.986 162 HA VAL 20 HA VAL 20 -6.493 -0.017 -28.093 163 HB VAL 20 HB VAL 20 -5.748 -2.038 -26.898 164 HG11 VAL 20 HG11 VAL 20 -7.862 -3.399 -27.099 165 HG12 VAL 20 HG12 VAL 20 -7.588 -3.545 -28.881 166 HG13 VAL 20 HG13 VAL 20 -6.410 -4.254 -27.726 167 HG21 VAL 20 HG21 VAL 20 -4.562 -2.917 -28.899 168 HG22 VAL 20 HG22 VAL 20 -5.734 -2.110 -29.993 169 HG23 VAL 20 HG23 VAL 20 -4.635 -1.121 -28.948 170 H THR 21 HN THR 21 -9.588 -1.877 -28.242 171 HA THR 21 HA THR 21 -9.828 -1.430 -31.083 172 HB THR 21 HB THR 21 -12.045 -2.445 -30.883 173 HG1 THR 21 HG1 THR 21 -12.631 -3.197 -28.794 174 HG21 THR 21 HG21 THR 21 -9.972 -3.936 -30.895 175 HG22 THR 21 HG22 THR 21 -11.366 -4.658 -30.013 176 HG23 THR 21 HG23 THR 21 -10.006 -3.943 -29.089 177 H LYS 22 HN LYS 22 -10.534 0.332 -28.241 178 HA LYS 22 HA LYS 22 -11.635 2.123 -27.662 179 HB2 LYS 22 HB1 LYS 22 -11.701 2.982 -30.612 180 HB3 LYS 22 HB2 LYS 22 -12.074 3.998 -29.186 181 HG2 LYS 22 HG1 LYS 22 -9.937 4.707 -29.663 182 HG3 LYS 22 HG2 LYS 22 -9.625 3.470 -28.408 183 HD2 LYS 22 HD1 LYS 22 -9.215 1.809 -30.329 184 HD3 LYS 22 HD2 LYS 22 -9.327 3.178 -31.480 185 HE2 LYS 22 HE1 LYS 22 -7.269 4.193 -30.513 186 HE3 LYS 22 HE2 LYS 22 -7.301 3.017 -29.135 187 HZ1 LYS 22 HZ1 LYS 22 -6.922 2.322 -32.012 188 HZ2 LYS 22 HZ2 LYS 22 -7.069 1.234 -30.732 189 HZ3 LYS 22 HZ3 LYS 22 -5.741 2.283 -30.785 190 H LYS 23 HN LYS 23 -13.104 -0.134 -27.835 191 HA LYS 23 HA LYS 23 -15.825 0.757 -27.919 192 HB2 LYS 23 HB1 LYS 23 -14.609 -0.614 -30.310 193 HB3 LYS 23 HB2 LYS 23 -16.165 -1.313 -29.834 194 HG2 LYS 23 HG1 LYS 23 -17.455 0.569 -30.202 195 HG3 LYS 23 HG2 LYS 23 -16.103 1.703 -30.205 196 HD2 LYS 23 HD1 LYS 23 -16.866 -0.336 -32.381 197 HD3 LYS 23 HD2 LYS 23 -16.896 1.444 -32.486 198 HE2 LYS 23 HE1 LYS 23 -14.439 -0.426 -32.460 199 HE3 LYS 23 HE2 LYS 23 -14.959 0.695 -33.772 200 HZ1 LYS 23 HZ1 LYS 23 -14.384 1.804 -31.110 201 HZ2 LYS 23 HZ2 LYS 23 -14.122 2.490 -32.635 202 HZ3 LYS 23 HZ3 LYS 23 -13.092 1.268 -32.015 203 H CYS 24 HN CYS 24 -13.455 -1.510 -26.931 204 HA CYS 24 HA CYS 24 -13.450 -3.535 -26.103 205 HB2 CYS 24 HB2 CYS 24 -16.429 -3.272 -25.471 206 HB3 CYS 24 HB1 CYS 24 -15.301 -4.494 -24.800 Start of MODEL 9 1 H1 PHE 1 HN PHE 1 5.486 -0.779 -1.576 2 HA PHE 1 HA PHE 1 3.146 -1.298 -0.987 3 HB2 PHE 1 HB1 PHE 1 3.811 1.698 -1.409 4 HB3 PHE 1 HB2 PHE 1 2.501 1.072 -0.332 5 HD1 PHE 1 HD1 PHE 1 3.200 -0.626 1.499 6 HD2 PHE 1 HD2 PHE 1 5.968 1.975 -0.510 7 HE1 PHE 1 HE1 PHE 1 4.809 -0.901 3.360 8 HE2 PHE 1 HE2 PHE 1 7.576 1.701 1.356 9 HZ PHE 1 HZ PHE 1 6.998 0.261 3.289 10 H LEU 2 HN LEU 2 3.744 0.335 -4.012 11 HA LEU 2 HA LEU 2 0.849 0.246 -4.685 12 HB2 LEU 2 HB1 LEU 2 3.145 1.910 -5.808 13 HB3 LEU 2 HB2 LEU 2 1.612 1.665 -6.697 14 HG LEU 2 HG LEU 2 0.339 2.624 -4.744 15 HD11 LEU 2 HD11 LEU 2 1.944 2.465 -2.879 16 HD12 LEU 2 HD12 LEU 2 1.594 4.192 -3.210 17 HD13 LEU 2 HD13 LEU 2 3.146 3.474 -3.778 18 HD21 LEU 2 HD21 LEU 2 0.848 3.896 -6.833 19 HD22 LEU 2 HD22 LEU 2 2.418 4.437 -6.123 20 HD23 LEU 2 HD23 LEU 2 0.864 4.973 -5.387 21 HA PRO 3 HA PRO 3 2.865 -3.002 -7.157 22 HB2 PRO 3 HB1 PRO 3 1.024 -5.010 -7.025 23 HB3 PRO 3 HB2 PRO 3 1.870 -4.434 -5.541 24 HG2 PRO 3 HG1 PRO 3 -0.906 -3.540 -6.516 25 HG3 PRO 3 HG2 PRO 3 -0.463 -4.216 -4.890 26 HD2 PRO 3 HD1 PRO 3 -0.551 -1.484 -5.326 27 HD3 PRO 3 HD2 PRO 3 0.737 -2.244 -4.291 28 H ILE 4 HN ILE 4 2.468 -1.182 -8.780 29 HA ILE 4 HA ILE 4 0.204 -0.983 -10.305 30 HB ILE 4 HB ILE 4 1.851 0.750 -10.111 31 HG12 ILE 4 HG11 ILE 4 1.455 -0.019 -13.064 32 HG13 ILE 4 HG12 ILE 4 0.179 0.667 -12.010 33 HG21 ILE 4 HG21 ILE 4 3.655 -0.885 -12.019 34 HG22 ILE 4 HG22 ILE 4 3.986 0.735 -11.327 35 HG23 ILE 4 HG23 ILE 4 3.938 -0.686 -10.241 36 HD11 ILE 4 HD1 ILE 4 2.845 2.051 -12.756 37 HD12 ILE 4 HD2 ILE 4 1.205 2.470 -13.361 38 HD13 ILE 4 HD3 ILE 4 1.614 2.720 -11.625 39 H LEU 5 HN LEU 5 3.047 -3.037 -11.146 40 HA LEU 5 HA LEU 5 2.039 -3.851 -13.620 41 HB2 LEU 5 HB1 LEU 5 3.702 -5.558 -13.634 42 HB3 LEU 5 HB2 LEU 5 4.410 -4.070 -12.959 43 HG LEU 5 HG LEU 5 3.524 -6.538 -11.336 44 HD11 LEU 5 HD11 LEU 5 5.450 -6.993 -12.836 45 HD12 LEU 5 HD12 LEU 5 5.951 -6.989 -11.106 46 HD13 LEU 5 HD13 LEU 5 6.330 -5.574 -12.155 47 HD21 LEU 5 HD21 LEU 5 3.458 -4.544 -9.837 48 HD22 LEU 5 HD22 LEU 5 5.091 -4.029 -10.433 49 HD23 LEU 5 HD23 LEU 5 4.906 -5.538 -9.478 50 H ALA 6 HN ALA 6 1.524 -5.320 -10.392 51 HA ALA 6 HA ALA 6 -0.018 -7.504 -11.320 52 HB1 ALA 6 HB1 ALA 6 1.102 -7.422 -9.068 53 HB2 ALA 6 HB2 ALA 6 -0.007 -6.085 -8.585 54 HB3 ALA 6 HB3 ALA 6 -0.663 -7.731 -8.919 55 H SER 7 HN SER 7 -0.895 -4.220 -10.212 56 HA SER 7 HA SER 7 -3.684 -4.497 -10.448 57 HB2 SER 7 HB1 SER 7 -2.440 -2.606 -9.299 58 HB3 SER 7 HB2 SER 7 -2.062 -1.931 -10.919 59 HG SER 7 HG1 SER 7 -3.980 -1.072 -9.868 60 H LEU 8 HN LEU 8 -1.283 -3.399 -12.933 61 HA LEU 8 HA LEU 8 -3.141 -3.038 -14.990 62 HB2 LEU 8 HB1 LEU 8 -0.184 -3.442 -14.712 63 HB3 LEU 8 HB2 LEU 8 -0.826 -3.871 -16.316 64 HG LEU 8 HG LEU 8 0.086 -1.553 -16.102 65 HD11 LEU 8 HD11 LEU 8 -2.857 -1.726 -16.987 66 HD12 LEU 8 HD12 LEU 8 -1.424 -2.245 -17.955 67 HD13 LEU 8 HD13 LEU 8 -1.638 -0.510 -17.520 68 HD21 LEU 8 HD21 LEU 8 -0.825 -0.910 -13.859 69 HD22 LEU 8 HD22 LEU 8 -2.496 -0.897 -14.541 70 HD23 LEU 8 HD23 LEU 8 -1.265 0.269 -15.146 71 H ALA 9 HN ALA 9 -1.210 -6.040 -14.246 72 HA ALA 9 HA ALA 9 -2.384 -7.525 -16.313 73 HB1 ALA 9 HB1 ALA 9 -1.112 -8.443 -13.661 74 HB2 ALA 9 HB2 ALA 9 -1.361 -9.481 -15.120 75 HB3 ALA 9 HB3 ALA 9 -0.227 -8.085 -15.183 76 H ALA 10 HN ALA 10 -3.307 -7.418 -12.820 77 HA ALA 10 HA ALA 10 -5.422 -9.352 -13.370 78 HB1 ALA 10 HB1 ALA 10 -5.446 -9.633 -10.907 79 HB2 ALA 10 HB2 ALA 10 -3.768 -9.747 -11.539 80 HB3 ALA 10 HB3 ALA 10 -4.305 -8.236 -10.732 81 H LYS 11 HN LYS 11 -5.413 -6.085 -13.655 82 HA LYS 11 HA LYS 11 -8.281 -6.077 -13.143 83 HB2 LYS 11 HB1 LYS 11 -6.742 -5.314 -11.023 84 HB3 LYS 11 HB2 LYS 11 -6.693 -3.782 -11.898 85 HG2 LYS 11 HG1 LYS 11 -8.498 -3.669 -10.245 86 HG3 LYS 11 HG2 LYS 11 -9.188 -3.668 -11.887 87 HD2 LYS 11 HD1 LYS 11 -10.632 -5.017 -10.666 88 HD3 LYS 11 HD2 LYS 11 -9.696 -6.193 -11.608 89 HE2 LYS 11 HE1 LYS 11 -9.306 -5.501 -8.599 90 HE3 LYS 11 HE2 LYS 11 -10.184 -6.931 -9.265 91 HZ1 LYS 11 HZ1 LYS 11 -8.080 -7.715 -8.749 92 HZ2 LYS 11 HZ2 LYS 11 -7.289 -6.340 -9.359 93 HZ3 LYS 11 HZ3 LYS 11 -7.981 -7.439 -10.417 94 H PHE 12 HN PHE 12 -5.619 -4.820 -15.058 95 HA PHE 12 HA PHE 12 -7.607 -3.046 -16.354 96 HB2 PHE 12 HB1 PHE 12 -4.547 -3.078 -16.514 97 HB3 PHE 12 HB2 PHE 12 -5.570 -2.233 -17.700 98 HD1 PHE 12 HD1 PHE 12 -5.151 0.001 -17.466 99 HD2 PHE 12 HD2 PHE 12 -5.731 -2.325 -13.895 100 HE1 PHE 12 HE1 PHE 12 -4.885 2.034 -16.087 101 HE2 PHE 12 HE2 PHE 12 -5.508 -0.310 -12.539 102 HZ PHE 12 HZ PHE 12 -5.063 1.886 -13.612 103 H GLY 13 HN GLY 13 -6.474 -6.241 -16.649 104 HA2 GLY 13 HA1 GLY 13 -5.795 -6.610 -19.211 105 HA3 GLY 13 HA2 GLY 13 -6.850 -7.739 -18.318 106 HA PRO 14 HA PRO 14 -9.843 -6.798 -21.405 107 HB2 PRO 14 HB1 PRO 14 -12.345 -6.519 -20.178 108 HB3 PRO 14 HB2 PRO 14 -11.428 -8.071 -20.196 109 HG2 PRO 14 HG1 PRO 14 -11.459 -5.967 -17.959 110 HG3 PRO 14 HG2 PRO 14 -11.746 -7.750 -17.816 111 HD2 PRO 14 HD1 PRO 14 -9.264 -6.669 -17.313 112 HD3 PRO 14 HD2 PRO 14 -9.410 -8.240 -18.226 113 H LYS 15 HN LYS 15 -9.590 -4.414 -18.918 114 HA LYS 15 HA LYS 15 -10.984 -2.253 -20.126 115 HB2 LYS 15 HB1 LYS 15 -10.425 -2.405 -17.715 116 HB3 LYS 15 HB2 LYS 15 -8.684 -2.424 -18.114 117 HG2 LYS 15 HG1 LYS 15 -8.858 -0.071 -18.986 118 HG3 LYS 15 HG2 LYS 15 -10.581 -0.031 -18.477 119 HD2 LYS 15 HD1 LYS 15 -9.906 -0.538 -16.123 120 HD3 LYS 15 HD2 LYS 15 -8.201 -0.722 -16.641 121 HE2 LYS 15 HE1 LYS 15 -8.135 1.732 -17.285 122 HE3 LYS 15 HE2 LYS 15 -9.821 1.915 -16.647 123 HZ1 LYS 15 HZ1 LYS 15 -7.424 1.005 -15.122 124 HZ2 LYS 15 HZ2 LYS 15 -8.994 1.091 -14.502 125 HZ3 LYS 15 HZ3 LYS 15 -8.193 2.508 -14.985 126 H LEU 16 HN LEU 16 -7.580 -3.371 -20.324 127 HA LEU 16 HA LEU 16 -6.580 -1.384 -21.994 128 HB2 LEU 16 HB1 LEU 16 -5.367 -3.118 -20.610 129 HB3 LEU 16 HB2 LEU 16 -5.753 -4.345 -21.839 130 HG LEU 16 HG LEU 16 -4.228 -1.747 -22.494 131 HD11 LEU 16 HD11 LEU 16 -3.041 -4.426 -21.535 132 HD12 LEU 16 HD12 LEU 16 -3.060 -2.881 -20.603 133 HD13 LEU 16 HD13 LEU 16 -2.106 -3.006 -22.128 134 HD21 LEU 16 HD21 LEU 16 -3.173 -3.173 -24.298 135 HD22 LEU 16 HD22 LEU 16 -4.942 -2.999 -24.529 136 HD23 LEU 16 HD23 LEU 16 -4.266 -4.528 -23.846 137 H PHE 17 HN PHE 17 -8.104 -4.548 -22.848 138 HA PHE 17 HA PHE 17 -7.972 -4.206 -25.625 139 HB2 PHE 17 HB1 PHE 17 -8.484 -6.368 -24.394 140 HB3 PHE 17 HB2 PHE 17 -10.115 -5.722 -23.995 141 HD1 PHE 17 HD1 PHE 17 -11.864 -5.941 -25.592 142 HD2 PHE 17 HD2 PHE 17 -7.797 -6.518 -26.855 143 HE1 PHE 17 HE1 PHE 17 -12.661 -6.748 -27.795 144 HE2 PHE 17 HE2 PHE 17 -8.596 -7.323 -29.056 145 HZ PHE 17 HZ PHE 17 -11.027 -7.442 -29.527 146 H CYS 18 HN CYS 18 -10.543 -3.285 -23.314 147 HA CYS 18 HA CYS 18 -12.325 -2.174 -25.139 148 HB2 CYS 18 HB1 CYS 18 -12.734 -2.860 -22.746 149 HB3 CYS 18 HB2 CYS 18 -11.841 -1.416 -22.207 150 H LEU 19 HN LEU 19 -9.612 -0.463 -23.392 151 HA LEU 19 HA LEU 19 -10.287 1.997 -24.678 152 HB2 LEU 19 HB1 LEU 19 -8.436 3.034 -23.671 153 HB3 LEU 19 HB2 LEU 19 -9.276 1.991 -22.502 154 HG LEU 19 HG LEU 19 -7.368 0.227 -23.221 155 HD11 LEU 19 HD11 LEU 19 -5.975 2.967 -23.577 156 HD12 LEU 19 HD12 LEU 19 -6.222 1.759 -24.886 157 HD13 LEU 19 HD13 LEU 19 -5.157 1.364 -23.492 158 HD21 LEU 19 HD21 LEU 19 -6.966 2.561 -21.247 159 HD22 LEU 19 HD22 LEU 19 -6.080 0.988 -21.220 160 HD23 LEU 19 HD23 LEU 19 -7.862 1.024 -20.922 161 H VAL 20 HN VAL 20 -7.793 -0.515 -25.527 162 HA VAL 20 HA VAL 20 -6.743 1.072 -27.587 163 HB VAL 20 HB VAL 20 -5.605 -0.839 -26.432 164 HG11 VAL 20 HG11 VAL 20 -5.803 -3.088 -27.391 165 HG12 VAL 20 HG12 VAL 20 -7.434 -2.562 -26.831 166 HG13 VAL 20 HG13 VAL 20 -7.025 -2.546 -28.591 167 HG21 VAL 20 HG21 VAL 20 -4.215 -1.320 -28.443 168 HG22 VAL 20 HG22 VAL 20 -5.507 -0.686 -29.521 169 HG23 VAL 20 HG23 VAL 20 -4.660 0.424 -28.378 170 H THR 21 HN THR 21 -9.456 -1.209 -27.628 171 HA THR 21 HA THR 21 -9.785 -0.895 -30.505 172 HB THR 21 HB THR 21 -11.830 -2.227 -30.294 173 HG1 THR 21 HG1 THR 21 -11.168 -2.599 -27.591 174 HG21 THR 21 HG21 THR 21 -9.441 -3.441 -28.741 175 HG22 THR 21 HG22 THR 21 -9.619 -3.385 -30.533 176 HG23 THR 21 HG23 THR 21 -10.775 -4.342 -29.539 177 H LYS 22 HN LYS 22 -10.265 1.178 -28.035 178 HA LYS 22 HA LYS 22 -11.322 3.045 -27.754 179 HB2 LYS 22 HB1 LYS 22 -11.661 2.833 -30.755 180 HB3 LYS 22 HB2 LYS 22 -12.063 4.317 -29.833 181 HG2 LYS 22 HG1 LYS 22 -9.848 4.716 -29.150 182 HG3 LYS 22 HG2 LYS 22 -9.300 3.048 -29.433 183 HD2 LYS 22 HD1 LYS 22 -10.133 4.903 -31.738 184 HD3 LYS 22 HD2 LYS 22 -8.474 4.845 -31.050 185 HE2 LYS 22 HE1 LYS 22 -8.341 2.364 -31.542 186 HE3 LYS 22 HE2 LYS 22 -9.950 2.456 -32.359 187 HZ1 LYS 22 HZ1 LYS 22 -8.996 4.080 -33.893 188 HZ2 LYS 22 HZ2 LYS 22 -8.124 2.624 -33.919 189 HZ3 LYS 22 HZ3 LYS 22 -7.495 3.972 -33.114 190 H LYS 23 HN LYS 23 -12.793 1.410 -26.551 191 HA LYS 23 HA LYS 23 -15.436 2.677 -26.983 192 HB2 LYS 23 HB1 LYS 23 -14.891 -0.139 -25.846 193 HB3 LYS 23 HB2 LYS 23 -16.435 0.754 -25.670 194 HG2 LYS 23 HG1 LYS 23 -16.994 -0.512 -27.482 195 HG3 LYS 23 HG2 LYS 23 -16.376 0.956 -28.287 196 HD2 LYS 23 HD1 LYS 23 -14.033 -0.500 -28.213 197 HD3 LYS 23 HD2 LYS 23 -15.167 -1.849 -28.009 198 HE2 LYS 23 HE1 LYS 23 -14.717 -1.678 -30.396 199 HE3 LYS 23 HE2 LYS 23 -16.387 -1.014 -30.156 200 HZ1 LYS 23 HZ1 LYS 23 -15.127 1.220 -29.918 201 HZ2 LYS 23 HZ2 LYS 23 -15.251 0.555 -31.486 202 HZ3 LYS 23 HZ3 LYS 23 -13.833 0.413 -30.565 203 H CYS 24 HN CYS 24 -12.910 1.611 -24.647 204 HA CYS 24 HA CYS 24 -14.274 3.193 -22.576 205 HB2 CYS 24 HB1 CYS 24 -11.739 1.484 -22.439 206 HB3 CYS 24 HB2 CYS 24 -12.448 2.389 -21.065 Start of MODEL 10 1 H1 PHE 1 HN PHE 1 -1.995 2.879 -6.231 2 HA PHE 1 HA PHE 1 -1.357 2.930 -4.090 3 HB2 PHE 1 HB1 PHE 1 -2.688 0.865 -3.602 4 HB3 PHE 1 HB2 PHE 1 -1.352 -0.164 -4.222 5 HD1 PHE 1 HD1 PHE 1 -0.179 -1.207 -2.493 6 HD2 PHE 1 HD2 PHE 1 -1.702 2.758 -1.797 7 HE1 PHE 1 HE1 PHE 1 0.808 -1.218 -0.222 8 HE2 PHE 1 HE2 PHE 1 -0.716 2.735 0.465 9 HZ PHE 1 HZ PHE 1 0.542 0.753 1.255 10 H LEU 2 HN LEU 2 0.411 0.164 -5.528 11 HA LEU 2 HA LEU 2 2.884 1.588 -5.701 12 HB2 LEU 2 HB1 LEU 2 2.683 1.462 -3.250 13 HB3 LEU 2 HB2 LEU 2 2.564 -0.307 -3.284 14 HG LEU 2 HG LEU 2 4.992 1.196 -4.431 15 HD11 LEU 2 HD11 LEU 2 4.546 0.365 -1.495 16 HD12 LEU 2 HD12 LEU 2 4.602 2.051 -2.128 17 HD13 LEU 2 HD13 LEU 2 6.076 1.018 -2.190 18 HD21 LEU 2 HD21 LEU 2 4.689 -1.620 -3.180 19 HD22 LEU 2 HD22 LEU 2 6.241 -0.875 -3.700 20 HD23 LEU 2 HD23 LEU 2 4.991 -1.260 -4.929 21 HA PRO 3 HA PRO 3 3.620 -2.727 -7.312 22 HB2 PRO 3 HB1 PRO 3 1.835 -4.822 -7.112 23 HB3 PRO 3 HB2 PRO 3 2.992 -4.392 -5.799 24 HG2 PRO 3 HG1 PRO 3 0.067 -3.483 -6.026 25 HG3 PRO 3 HG2 PRO 3 0.861 -4.323 -4.626 26 HD2 PRO 3 HD1 PRO 3 0.647 -1.595 -4.663 27 HD3 PRO 3 HD2 PRO 3 2.203 -2.368 -4.120 28 H ILE 4 HN ILE 4 3.027 -0.924 -8.833 29 HA ILE 4 HA ILE 4 0.658 -0.739 -10.180 30 HB ILE 4 HB ILE 4 2.331 0.989 -10.120 31 HG12 ILE 4 HG11 ILE 4 1.695 0.212 -13.028 32 HG13 ILE 4 HG12 ILE 4 0.512 0.913 -11.879 33 HG21 ILE 4 HG21 ILE 4 4.360 0.957 -11.503 34 HG22 ILE 4 HG22 ILE 4 4.390 -0.460 -10.413 35 HG23 ILE 4 HG23 ILE 4 3.964 -0.662 -12.163 36 HD11 ILE 4 HD1 ILE 4 1.439 2.703 -13.315 37 HD12 ILE 4 HD2 ILE 4 1.990 2.955 -11.619 38 HD13 ILE 4 HD3 ILE 4 3.119 2.272 -12.844 39 H LEU 5 HN LEU 5 3.424 -2.804 -11.187 40 HA LEU 5 HA LEU 5 2.318 -3.627 -13.619 41 HB2 LEU 5 HB1 LEU 5 4.158 -5.201 -11.726 42 HB3 LEU 5 HB2 LEU 5 3.907 -5.540 -13.467 43 HG LEU 5 HG LEU 5 5.179 -2.986 -12.305 44 HD11 LEU 5 HD11 LEU 5 6.599 -5.017 -12.013 45 HD12 LEU 5 HD12 LEU 5 7.294 -3.894 -13.241 46 HD13 LEU 5 HD13 LEU 5 6.437 -5.387 -13.771 47 HD21 LEU 5 HD21 LEU 5 4.844 -3.911 -15.232 48 HD22 LEU 5 HD22 LEU 5 5.834 -2.513 -14.682 49 HD23 LEU 5 HD23 LEU 5 4.049 -2.479 -14.471 50 H ALA 6 HN ALA 6 1.891 -5.053 -10.352 51 HA ALA 6 HA ALA 6 0.295 -7.232 -11.196 52 HB1 ALA 6 HB1 ALA 6 -0.287 -7.409 -8.775 53 HB2 ALA 6 HB2 ALA 6 1.477 -7.127 -8.977 54 HB3 ALA 6 HB3 ALA 6 0.399 -5.766 -8.487 55 H SER 7 HN SER 7 -0.525 -3.918 -10.121 56 HA SER 7 HA SER 7 -3.329 -4.192 -10.296 57 HB2 SER 7 HB1 SER 7 -2.059 -2.293 -9.182 58 HB3 SER 7 HB2 SER 7 -1.705 -1.635 -10.814 59 HG SER 7 HG1 SER 7 -3.596 -0.746 -9.764 60 H LEU 8 HN LEU 8 -0.959 -3.121 -12.816 61 HA LEU 8 HA LEU 8 -2.851 -2.721 -14.827 62 HB2 LEU 8 HB1 LEU 8 0.110 -3.100 -14.632 63 HB3 LEU 8 HB2 LEU 8 -0.575 -3.499 -16.229 64 HG LEU 8 HG LEU 8 0.292 -1.169 -16.002 65 HD11 LEU 8 HD11 LEU 8 -1.285 -1.817 -17.799 66 HD12 LEU 8 HD12 LEU 8 -1.552 -0.113 -17.278 67 HD13 LEU 8 HD13 LEU 8 -2.689 -1.407 -16.743 68 HD21 LEU 8 HD21 LEU 8 -2.220 -0.598 -14.301 69 HD22 LEU 8 HD22 LEU 8 -1.026 0.599 -14.917 70 HD23 LEU 8 HD23 LEU 8 -0.522 -0.620 -13.691 71 H ALA 9 HN ALA 9 -0.997 -5.768 -14.093 72 HA ALA 9 HA ALA 9 -2.267 -7.217 -16.153 73 HB1 ALA 9 HB1 ALA 9 -1.301 -9.205 -14.970 74 HB2 ALA 9 HB2 ALA 9 -0.107 -7.862 -15.079 75 HB3 ALA 9 HB3 ALA 9 -0.964 -8.166 -13.529 76 H ALA 10 HN ALA 10 -3.091 -7.083 -12.616 77 HA ALA 10 HA ALA 10 -5.225 -9.006 -13.148 78 HB1 ALA 10 HB1 ALA 10 -4.008 -7.956 -10.530 79 HB2 ALA 10 HB2 ALA 10 -5.149 -9.352 -10.695 80 HB3 ALA 10 HB3 ALA 10 -3.496 -9.444 -11.400 81 H LYS 11 HN LYS 11 -5.118 -5.625 -12.928 82 HA LYS 11 HA LYS 11 -8.010 -5.606 -12.268 83 HB2 LYS 11 HB1 LYS 11 -5.805 -4.356 -10.818 84 HB3 LYS 11 HB2 LYS 11 -6.788 -3.063 -11.532 85 HG2 LYS 11 HG1 LYS 11 -7.566 -3.491 -9.288 86 HG3 LYS 11 HG2 LYS 11 -8.847 -4.010 -10.433 87 HD2 LYS 11 HD1 LYS 11 -8.195 -6.374 -10.154 88 HD3 LYS 11 HD2 LYS 11 -6.778 -5.909 -9.156 89 HE2 LYS 11 HE1 LYS 11 -8.331 -5.086 -7.344 90 HE3 LYS 11 HE2 LYS 11 -9.756 -5.501 -8.383 91 HZ1 LYS 11 HZ1 LYS 11 -9.293 -7.259 -6.819 92 HZ2 LYS 11 HZ2 LYS 11 -7.695 -7.404 -7.371 93 HZ3 LYS 11 HZ3 LYS 11 -8.977 -7.799 -8.398 94 H PHE 12 HN PHE 12 -5.406 -4.324 -14.369 95 HA PHE 12 HA PHE 12 -7.502 -2.792 -15.782 96 HB2 PHE 12 HB1 PHE 12 -4.449 -2.758 -16.076 97 HB3 PHE 12 HB2 PHE 12 -5.564 -1.965 -17.213 98 HD1 PHE 12 HD1 PHE 12 -4.918 0.235 -17.073 99 HD2 PHE 12 HD2 PHE 12 -5.686 -1.896 -13.415 100 HE1 PHE 12 HE1 PHE 12 -4.600 2.319 -15.780 101 HE2 PHE 12 HE2 PHE 12 -5.424 0.170 -12.152 102 HZ PHE 12 HZ PHE 12 -4.866 2.294 -13.308 103 H GLY 13 HN GLY 13 -6.254 -5.965 -15.953 104 HA2 GLY 13 HA1 GLY 13 -5.571 -6.455 -18.470 105 HA3 GLY 13 HA2 GLY 13 -6.623 -7.554 -17.536 106 HA PRO 14 HA PRO 14 -9.591 -6.835 -20.710 107 HB2 PRO 14 HB1 PRO 14 -12.108 -6.443 -19.551 108 HB3 PRO 14 HB2 PRO 14 -11.203 -7.997 -19.427 109 HG2 PRO 14 HG1 PRO 14 -11.249 -5.715 -17.371 110 HG3 PRO 14 HG2 PRO 14 -11.557 -7.478 -17.085 111 HD2 PRO 14 HD1 PRO 14 -9.075 -6.375 -16.635 112 HD3 PRO 14 HD2 PRO 14 -9.217 -8.018 -17.410 113 H LYS 15 HN LYS 15 -9.338 -4.237 -18.437 114 HA LYS 15 HA LYS 15 -10.706 -2.198 -19.895 115 HB2 LYS 15 HB1 LYS 15 -10.327 -2.055 -17.482 116 HB3 LYS 15 HB2 LYS 15 -8.567 -2.228 -17.710 117 HG2 LYS 15 HG1 LYS 15 -8.493 0.015 -18.854 118 HG3 LYS 15 HG2 LYS 15 -10.240 0.230 -18.488 119 HD2 LYS 15 HD1 LYS 15 -9.766 -0.054 -16.048 120 HD3 LYS 15 HD2 LYS 15 -8.051 -0.423 -16.413 121 HE2 LYS 15 HE1 LYS 15 -7.745 1.932 -17.317 122 HE3 LYS 15 HE2 LYS 15 -9.445 2.311 -16.818 123 HZ1 LYS 15 HZ1 LYS 15 -7.884 2.965 -15.120 124 HZ2 LYS 15 HZ2 LYS 15 -7.221 1.409 -15.047 125 HZ3 LYS 15 HZ3 LYS 15 -8.815 1.667 -14.546 126 H LEU 16 HN LEU 16 -7.283 -3.300 -19.814 127 HA LEU 16 HA LEU 16 -6.247 -1.508 -21.699 128 HB2 LEU 16 HB1 LEU 16 -5.509 -4.379 -20.931 129 HB3 LEU 16 HB2 LEU 16 -4.522 -3.410 -22.069 130 HG LEU 16 HG LEU 16 -5.159 -2.459 -19.231 131 HD11 LEU 16 HD11 LEU 16 -2.927 -3.331 -18.550 132 HD12 LEU 16 HD12 LEU 16 -2.701 -4.056 -20.187 133 HD13 LEU 16 HD13 LEU 16 -4.005 -4.662 -19.099 134 HD21 LEU 16 HD21 LEU 16 -2.945 -1.683 -21.237 135 HD22 LEU 16 HD22 LEU 16 -3.129 -1.030 -19.570 136 HD23 LEU 16 HD23 LEU 16 -4.381 -0.678 -20.820 137 H PHE 17 HN PHE 17 -7.737 -4.758 -22.197 138 HA PHE 17 HA PHE 17 -7.504 -4.748 -24.989 139 HB2 PHE 17 HB1 PHE 17 -8.055 -6.774 -23.592 140 HB3 PHE 17 HB2 PHE 17 -9.670 -6.066 -23.225 141 HD1 PHE 17 HD1 PHE 17 -11.449 -6.630 -24.642 142 HD2 PHE 17 HD2 PHE 17 -7.442 -6.947 -26.160 143 HE1 PHE 17 HE1 PHE 17 -12.323 -7.595 -26.753 144 HE2 PHE 17 HE2 PHE 17 -8.316 -7.901 -28.269 145 HZ PHE 17 HZ PHE 17 -10.755 -8.224 -28.570 146 H CYS 18 HN CYS 18 -10.166 -3.507 -22.909 147 HA CYS 18 HA CYS 18 -11.842 -2.698 -24.978 148 HB2 CYS 18 HB1 CYS 18 -12.407 -2.915 -22.517 149 HB3 CYS 18 HB2 CYS 18 -11.506 -1.408 -22.208 150 H LEU 19 HN LEU 19 -9.308 -0.707 -23.302 151 HA LEU 19 HA LEU 19 -9.870 1.534 -24.946 152 HB2 LEU 19 HB1 LEU 19 -8.094 2.715 -23.889 153 HB3 LEU 19 HB2 LEU 19 -9.067 1.812 -22.697 154 HG LEU 19 HG LEU 19 -7.131 -0.025 -22.992 155 HD11 LEU 19 HD11 LEU 19 -5.790 1.250 -24.719 156 HD12 LEU 19 HD12 LEU 19 -4.877 1.045 -23.185 157 HD13 LEU 19 HD13 LEU 19 -5.647 2.628 -23.571 158 HD21 LEU 19 HD21 LEU 19 -6.855 2.545 -21.309 159 HD22 LEU 19 HD22 LEU 19 -6.024 0.974 -20.988 160 HD23 LEU 19 HD23 LEU 19 -7.824 1.081 -20.876 161 H VAL 20 HN VAL 20 -7.358 -1.055 -25.327 162 HA VAL 20 HA VAL 20 -6.111 0.365 -27.436 163 HB VAL 20 HB VAL 20 -5.094 -1.435 -25.981 164 HG11 VAL 20 HG11 VAL 20 -5.232 -3.764 -26.744 165 HG12 VAL 20 HG12 VAL 20 -6.903 -3.185 -26.392 166 HG13 VAL 20 HG13 VAL 20 -6.328 -3.328 -28.099 167 HG21 VAL 20 HG21 VAL 20 -3.959 -0.360 -27.940 168 HG22 VAL 20 HG22 VAL 20 -3.525 -2.104 -27.800 169 HG23 VAL 20 HG23 VAL 20 -4.707 -1.571 -29.047 170 H THR 21 HN THR 21 -8.920 -1.716 -27.371 171 HA THR 21 HA THR 21 -9.067 -1.709 -30.310 172 HB THR 21 HB THR 21 -11.115 -3.048 -30.084 173 HG1 THR 21 HG1 THR 21 -10.426 -3.275 -27.362 174 HG21 THR 21 HG21 THR 21 -10.009 -5.115 -29.254 175 HG22 THR 21 HG22 THR 21 -8.712 -4.149 -28.467 176 HG23 THR 21 HG23 THR 21 -8.865 -4.156 -30.262 177 H LYS 22 HN LYS 22 -9.496 0.599 -28.171 178 HA LYS 22 HA LYS 22 -10.356 2.576 -28.219 179 HB2 LYS 22 HB1 LYS 22 -9.661 2.232 -30.617 180 HB3 LYS 22 HB2 LYS 22 -11.364 1.885 -31.022 181 HG2 LYS 22 HG1 LYS 22 -11.995 4.218 -30.328 182 HG3 LYS 22 HG2 LYS 22 -10.299 4.529 -29.833 183 HD2 LYS 22 HD1 LYS 22 -9.533 4.075 -32.180 184 HD3 LYS 22 HD2 LYS 22 -11.232 3.784 -32.678 185 HE2 LYS 22 HE1 LYS 22 -11.814 6.177 -32.119 186 HE3 LYS 22 HE2 LYS 22 -10.107 6.468 -31.595 187 HZ1 LYS 22 HZ1 LYS 22 -10.492 7.195 -33.862 188 HZ2 LYS 22 HZ2 LYS 22 -10.981 5.640 -34.325 189 HZ3 LYS 22 HZ3 LYS 22 -9.386 5.911 -33.832 190 H LYS 23 HN LYS 23 -12.628 0.063 -28.636 191 HA LYS 23 HA LYS 23 -14.783 1.625 -27.393 192 HB2 LYS 23 HB1 LYS 23 -14.533 1.821 -30.028 193 HB3 LYS 23 HB2 LYS 23 -15.152 0.174 -30.116 194 HG2 LYS 23 HG1 LYS 23 -16.529 2.675 -28.889 195 HG3 LYS 23 HG2 LYS 23 -16.738 2.155 -30.575 196 HD2 LYS 23 HD1 LYS 23 -17.785 0.673 -28.083 197 HD3 LYS 23 HD2 LYS 23 -18.691 1.690 -29.210 198 HE2 LYS 23 HE1 LYS 23 -19.256 -0.553 -29.766 199 HE3 LYS 23 HE2 LYS 23 -18.214 0.049 -31.112 200 HZ1 LYS 23 HZ1 LYS 23 -16.491 -1.324 -30.435 201 HZ2 LYS 23 HZ2 LYS 23 -17.800 -2.292 -29.980 202 HZ3 LYS 23 HZ3 LYS 23 -16.973 -1.352 -28.847 203 H CYS 24 HN CYS 24 -12.982 -1.001 -27.057 204 HA CYS 24 HA CYS 24 -13.118 -3.141 -26.641 205 HB2 CYS 24 HB2 CYS 24 -16.111 -2.914 -26.140 206 HB3 CYS 24 HB1 CYS 24 -15.062 -4.309 -25.732 Start of MODEL 11 1 H1 PHE 1 HN PHE 1 -2.561 -0.037 -4.683 2 HA PHE 1 HA PHE 1 -1.608 1.379 -6.731 3 HB2 PHE 1 HB1 PHE 1 -2.305 2.368 -4.523 4 HB3 PHE 1 HB2 PHE 1 -0.799 1.757 -3.762 5 HD1 PHE 1 HD1 PHE 1 0.790 3.423 -3.433 6 HD2 PHE 1 HD2 PHE 1 -1.766 3.719 -6.879 7 HE1 PHE 1 HE1 PHE 1 1.918 5.520 -4.090 8 HE2 PHE 1 HE2 PHE 1 -0.632 5.818 -7.534 9 HZ PHE 1 HZ PHE 1 1.213 6.720 -6.142 10 H LEU 2 HN LEU 2 0.771 0.411 -4.210 11 HA LEU 2 HA LEU 2 2.971 0.830 -5.814 12 HB2 LEU 2 HB1 LEU 2 2.755 -0.987 -3.359 13 HB3 LEU 2 HB2 LEU 2 4.276 -0.343 -4.053 14 HG LEU 2 HG LEU 2 2.012 1.360 -2.847 15 HD11 LEU 2 HD11 LEU 2 3.591 1.718 -0.961 16 HD12 LEU 2 HD12 LEU 2 4.777 0.599 -1.721 17 HD13 LEU 2 HD13 LEU 2 3.190 -0.029 -1.141 18 HD21 LEU 2 HD21 LEU 2 3.703 3.216 -2.925 19 HD22 LEU 2 HD22 LEU 2 3.272 2.651 -4.576 20 HD23 LEU 2 HD23 LEU 2 4.835 2.146 -3.825 21 HA PRO 3 HA PRO 3 3.475 -3.550 -7.310 22 HB2 PRO 3 HB1 PRO 3 1.566 -5.506 -7.106 23 HB3 PRO 3 HB2 PRO 3 2.651 -5.102 -5.724 24 HG2 PRO 3 HG1 PRO 3 -0.188 -4.028 -6.198 25 HG3 PRO 3 HG2 PRO 3 0.447 -4.859 -4.715 26 HD2 PRO 3 HD1 PRO 3 0.387 -2.109 -4.955 27 HD3 PRO 3 HD2 PRO 3 1.781 -2.939 -4.121 28 H ILE 4 HN ILE 4 2.814 -1.485 -8.651 29 HA ILE 4 HA ILE 4 0.462 -1.283 -10.002 30 HB ILE 4 HB ILE 4 2.022 0.506 -9.714 31 HG12 ILE 4 HG11 ILE 4 1.514 0.052 -12.712 32 HG13 ILE 4 HG12 ILE 4 0.252 0.520 -11.526 33 HG21 ILE 4 HG21 ILE 4 4.080 0.745 -11.049 34 HG22 ILE 4 HG22 ILE 4 4.170 -0.770 -10.102 35 HG23 ILE 4 HG23 ILE 4 3.796 -0.823 -11.874 36 HD11 ILE 4 HD1 ILE 4 2.781 2.166 -12.211 37 HD12 ILE 4 HD2 ILE 4 1.088 2.541 -12.692 38 HD13 ILE 4 HD3 ILE 4 1.567 2.603 -10.956 39 H LEU 5 HN LEU 5 3.331 -3.103 -11.151 40 HA LEU 5 HA LEU 5 2.274 -3.766 -13.652 41 HB2 LEU 5 HB1 LEU 5 3.996 -5.402 -13.848 42 HB3 LEU 5 HB2 LEU 5 4.674 -3.945 -13.081 43 HG LEU 5 HG LEU 5 3.925 -6.560 -11.627 44 HD11 LEU 5 HD11 LEU 5 5.814 -6.832 -13.217 45 HD12 LEU 5 HD12 LEU 5 6.372 -6.941 -11.508 46 HD13 LEU 5 HD13 LEU 5 6.669 -5.438 -12.456 47 HD21 LEU 5 HD21 LEU 5 5.435 -4.070 -10.585 48 HD22 LEU 5 HD22 LEU 5 5.336 -5.653 -9.742 49 HD23 LEU 5 HD23 LEU 5 3.843 -4.689 -9.981 50 H ALA 6 HN ALA 6 1.897 -5.464 -10.520 51 HA ALA 6 HA ALA 6 0.406 -7.639 -11.564 52 HB1 ALA 6 HB1 ALA 6 0.443 -6.423 -8.733 53 HB2 ALA 6 HB2 ALA 6 -0.174 -8.058 -9.175 54 HB3 ALA 6 HB3 ALA 6 1.578 -7.686 -9.338 55 H SER 7 HN SER 7 -0.528 -4.467 -10.207 56 HA SER 7 HA SER 7 -3.312 -4.792 -10.419 57 HB2 SER 7 HB1 SER 7 -2.076 -2.952 -9.164 58 HB3 SER 7 HB2 SER 7 -1.784 -2.149 -10.742 59 HG SER 7 HG1 SER 7 -3.683 -1.415 -9.623 60 H LEU 8 HN LEU 8 -0.975 -3.535 -12.872 61 HA LEU 8 HA LEU 8 -2.838 -2.941 -14.838 62 HB2 LEU 8 HB1 LEU 8 0.086 -3.407 -14.649 63 HB3 LEU 8 HB2 LEU 8 -0.548 -3.895 -16.239 64 HG LEU 8 HG LEU 8 0.301 -1.604 -16.242 65 HD11 LEU 8 HD11 LEU 8 -1.441 -2.249 -17.859 66 HD12 LEU 8 HD12 LEU 8 -1.607 -0.516 -17.397 67 HD13 LEU 8 HD13 LEU 8 -2.744 -1.749 -16.720 68 HD21 LEU 8 HD21 LEU 8 -0.869 0.269 -15.110 69 HD22 LEU 8 HD22 LEU 8 -0.193 -0.907 -13.927 70 HD23 LEU 8 HD23 LEU 8 -1.960 -0.895 -14.262 71 H ALA 9 HN ALA 9 -1.165 -6.125 -14.341 72 HA ALA 9 HA ALA 9 -2.647 -7.353 -16.446 73 HB1 ALA 9 HB1 ALA 9 -1.127 -8.552 -14.050 74 HB2 ALA 9 HB2 ALA 9 -1.654 -9.462 -15.520 75 HB3 ALA 9 HB3 ALA 9 -0.421 -8.158 -15.654 76 H ALA 10 HN ALA 10 -3.076 -7.496 -12.847 77 HA ALA 10 HA ALA 10 -5.317 -9.307 -13.253 78 HB1 ALA 10 HB1 ALA 10 -3.770 -8.496 -10.722 79 HB2 ALA 10 HB2 ALA 10 -4.961 -9.851 -10.859 80 HB3 ALA 10 HB3 ALA 10 -3.405 -9.918 -11.758 81 H LYS 11 HN LYS 11 -5.197 -6.003 -13.078 82 HA LYS 11 HA LYS 11 -8.003 -6.082 -12.178 83 HB2 LYS 11 HB1 LYS 11 -6.284 -5.259 -10.341 84 HB3 LYS 11 HB2 LYS 11 -6.100 -3.822 -11.358 85 HG2 LYS 11 HG1 LYS 11 -7.688 -3.325 -9.600 86 HG3 LYS 11 HG2 LYS 11 -8.563 -3.348 -11.153 87 HD2 LYS 11 HD1 LYS 11 -9.877 -4.350 -9.372 88 HD3 LYS 11 HD2 LYS 11 -9.561 -5.570 -10.623 89 HE2 LYS 11 HE1 LYS 11 -7.643 -5.446 -8.221 90 HE3 LYS 11 HE2 LYS 11 -9.330 -5.997 -7.903 91 HZ1 LYS 11 HZ1 LYS 11 -7.600 -7.232 -10.003 92 HZ2 LYS 11 HZ2 LYS 11 -9.092 -7.747 -9.451 93 HZ3 LYS 11 HZ3 LYS 11 -7.749 -7.799 -8.424 94 H PHE 12 HN PHE 12 -5.512 -4.493 -14.207 95 HA PHE 12 HA PHE 12 -7.746 -3.142 -15.589 96 HB2 PHE 12 HB1 PHE 12 -4.719 -2.745 -15.768 97 HB3 PHE 12 HB2 PHE 12 -5.902 -1.885 -16.804 98 HD1 PHE 12 HD1 PHE 12 -3.924 -0.391 -15.313 99 HD2 PHE 12 HD2 PHE 12 -7.822 -1.725 -14.029 100 HE1 PHE 12 HE1 PHE 12 -4.071 1.505 -13.734 101 HE2 PHE 12 HE2 PHE 12 -7.950 0.156 -12.485 102 HZ PHE 12 HZ PHE 12 -6.092 1.787 -12.322 103 H GLY 13 HN GLY 13 -6.322 -6.153 -16.003 104 HA2 GLY 13 HA1 GLY 13 -5.568 -6.376 -18.543 105 HA3 GLY 13 HA2 GLY 13 -6.609 -7.582 -17.738 106 HA PRO 14 HA PRO 14 -9.558 -6.657 -20.869 107 HB2 PRO 14 HB1 PRO 14 -12.092 -6.313 -19.717 108 HB3 PRO 14 HB2 PRO 14 -11.206 -7.882 -19.709 109 HG2 PRO 14 HG1 PRO 14 -11.255 -5.775 -17.476 110 HG3 PRO 14 HG2 PRO 14 -11.577 -7.553 -17.338 111 HD2 PRO 14 HD1 PRO 14 -9.095 -6.517 -16.768 112 HD3 PRO 14 HD2 PRO 14 -9.236 -8.082 -17.692 113 H LYS 15 HN LYS 15 -9.398 -4.202 -18.411 114 HA LYS 15 HA LYS 15 -10.630 -2.069 -19.862 115 HB2 LYS 15 HB1 LYS 15 -10.490 -1.877 -17.491 116 HB3 LYS 15 HB2 LYS 15 -8.751 -2.276 -17.469 117 HG2 LYS 15 HG1 LYS 15 -8.135 -0.120 -18.392 118 HG3 LYS 15 HG2 LYS 15 -9.846 0.324 -18.700 119 HD2 LYS 15 HD1 LYS 15 -10.391 0.453 -16.376 120 HD3 LYS 15 HD2 LYS 15 -8.920 -0.402 -15.858 121 HE2 LYS 15 HE1 LYS 15 -8.895 2.414 -17.158 122 HE3 LYS 15 HE2 LYS 15 -8.940 2.117 -15.374 123 HZ1 LYS 15 HZ1 LYS 15 -6.880 0.925 -15.534 124 HZ2 LYS 15 HZ2 LYS 15 -6.694 2.463 -16.209 125 HZ3 LYS 15 HZ3 LYS 15 -6.834 1.102 -17.216 126 H LEU 16 HN LEU 16 -7.283 -3.300 -19.673 127 HA LEU 16 HA LEU 16 -6.042 -1.423 -21.317 128 HB2 LEU 16 HB1 LEU 16 -5.097 -3.222 -19.740 129 HB3 LEU 16 HB2 LEU 16 -5.342 -4.406 -21.043 130 HG LEU 16 HG LEU 16 -3.626 -1.853 -21.306 131 HD11 LEU 16 HD11 LEU 16 -1.656 -3.300 -20.828 132 HD12 LEU 16 HD12 LEU 16 -2.742 -4.710 -20.554 133 HD13 LEU 16 HD13 LEU 16 -2.802 -3.301 -19.433 134 HD21 LEU 16 HD21 LEU 16 -3.697 -4.455 -22.974 135 HD22 LEU 16 HD22 LEU 16 -2.449 -3.167 -23.127 136 HD23 LEU 16 HD23 LEU 16 -4.155 -2.802 -23.541 137 H PHE 17 HN PHE 17 -7.612 -4.567 -22.167 138 HA PHE 17 HA PHE 17 -7.257 -4.344 -24.935 139 HB2 PHE 17 HB1 PHE 17 -7.968 -6.436 -23.695 140 HB3 PHE 17 HB2 PHE 17 -9.583 -5.693 -23.412 141 HD1 PHE 17 HD1 PHE 17 -11.227 -5.709 -25.156 142 HD2 PHE 17 HD2 PHE 17 -7.178 -6.824 -26.063 143 HE1 PHE 17 HE1 PHE 17 -11.941 -6.479 -27.401 144 HE2 PHE 17 HE2 PHE 17 -7.895 -7.602 -28.302 145 HZ PHE 17 HZ PHE 17 -10.276 -7.431 -28.972 146 H CYS 18 HN CYS 18 -10.008 -3.213 -22.897 147 HA CYS 18 HA CYS 18 -11.506 -2.192 -25.010 148 HB2 CYS 18 HB1 CYS 18 -12.281 -2.660 -22.634 149 HB3 CYS 18 HB2 CYS 18 -11.438 -1.178 -22.107 150 H LEU 19 HN LEU 19 -9.053 -0.428 -23.021 151 HA LEU 19 HA LEU 19 -9.500 1.981 -24.451 152 HB2 LEU 19 HB1 LEU 19 -7.722 3.000 -23.267 153 HB3 LEU 19 HB2 LEU 19 -8.719 2.006 -22.171 154 HG LEU 19 HG LEU 19 -6.825 0.168 -22.618 155 HD11 LEU 19 HD11 LEU 19 -5.274 2.820 -22.998 156 HD12 LEU 19 HD12 LEU 19 -5.453 1.533 -24.243 157 HD13 LEU 19 HD13 LEU 19 -4.543 1.194 -22.733 158 HD21 LEU 19 HD21 LEU 19 -6.471 2.587 -20.738 159 HD22 LEU 19 HD22 LEU 19 -5.681 0.970 -20.552 160 HD23 LEU 19 HD23 LEU 19 -7.481 1.117 -20.419 161 H VAL 20 HN VAL 20 -7.117 -0.684 -25.077 162 HA VAL 20 HA VAL 20 -5.844 0.875 -27.069 163 HB VAL 20 HB VAL 20 -4.772 -1.010 -25.908 164 HG11 VAL 20 HG11 VAL 20 -5.019 -3.293 -26.808 165 HG12 VAL 20 HG12 VAL 20 -6.597 -2.720 -26.161 166 HG13 VAL 20 HG13 VAL 20 -6.307 -2.768 -27.945 167 HG21 VAL 20 HG21 VAL 20 -3.413 -1.613 -27.902 168 HG22 VAL 20 HG22 VAL 20 -4.702 -1.015 -29.003 169 HG23 VAL 20 HG23 VAL 20 -3.824 0.140 -27.927 170 H THR 21 HN THR 21 -8.582 -1.489 -27.357 171 HA THR 21 HA THR 21 -8.792 -1.148 -30.161 172 HB THR 21 HB THR 21 -11.046 -2.024 -30.084 173 HG1 THR 21 HG1 THR 21 -11.757 -2.755 -28.016 174 HG21 THR 21 HG21 THR 21 -9.132 -3.544 -28.181 175 HG22 THR 21 HG22 THR 21 -9.071 -3.590 -29.980 176 HG23 THR 21 HG23 THR 21 -10.502 -4.243 -29.105 177 H LYS 22 HN LYS 22 -10.257 0.538 -27.432 178 HA LYS 22 HA LYS 22 -10.912 2.609 -27.135 179 HB2 LYS 22 HB1 LYS 22 -10.628 3.190 -30.116 180 HB3 LYS 22 HB2 LYS 22 -10.971 4.399 -28.849 181 HG2 LYS 22 HG1 LYS 22 -8.828 4.205 -27.832 182 HG3 LYS 22 HG2 LYS 22 -8.449 2.667 -28.620 183 HD2 LYS 22 HD1 LYS 22 -8.584 5.421 -29.998 184 HD3 LYS 22 HD2 LYS 22 -7.116 4.511 -29.545 185 HE2 LYS 22 HE1 LYS 22 -9.127 3.866 -31.787 186 HE3 LYS 22 HE2 LYS 22 -7.354 4.186 -31.907 187 HZ1 LYS 22 HZ1 LYS 22 -8.787 1.799 -30.948 188 HZ2 LYS 22 HZ2 LYS 22 -7.235 2.041 -30.410 189 HZ3 LYS 22 HZ3 LYS 22 -7.534 1.886 -32.075 190 H LYS 23 HN LYS 23 -12.435 0.189 -28.042 191 HA LYS 23 HA LYS 23 -15.069 1.437 -28.137 192 HB2 LYS 23 HB1 LYS 23 -13.686 0.929 -30.536 193 HB3 LYS 23 HB2 LYS 23 -14.666 -0.543 -30.390 194 HG2 LYS 23 HG1 LYS 23 -15.701 2.372 -30.328 195 HG3 LYS 23 HG2 LYS 23 -15.638 1.320 -31.780 196 HD2 LYS 23 HD1 LYS 23 -17.202 -0.324 -30.589 197 HD3 LYS 23 HD2 LYS 23 -17.297 0.812 -29.225 198 HE2 LYS 23 HE1 LYS 23 -19.314 1.061 -30.614 199 HE3 LYS 23 HE2 LYS 23 -18.324 2.572 -30.715 200 HZ1 LYS 23 HZ1 LYS 23 -17.424 1.775 -32.800 201 HZ2 LYS 23 HZ2 LYS 23 -19.117 1.845 -32.880 202 HZ3 LYS 23 HZ3 LYS 23 -18.333 0.350 -32.705 203 H CYS 24 HN CYS 24 -13.249 -0.685 -26.637 204 HA CYS 24 HA CYS 24 -13.362 -2.672 -25.722 205 HB2 CYS 24 HB2 CYS 24 -16.389 -2.348 -25.898 206 HB3 CYS 24 HB1 CYS 24 -15.540 -3.594 -24.923 Start of MODEL 12 1 H1 PHE 1 HN PHE 1 3.672 4.058 -4.007 2 HA PHE 1 HA PHE 1 3.213 3.418 -6.382 3 HB2 PHE 1 HB1 PHE 1 5.032 1.515 -4.744 4 HB3 PHE 1 HB2 PHE 1 5.115 1.740 -6.534 5 HD1 PHE 1 HD1 PHE 1 5.486 4.161 -7.392 6 HD2 PHE 1 HD2 PHE 1 6.302 2.929 -3.358 7 HE1 PHE 1 HE1 PHE 1 6.984 6.113 -7.098 8 HE2 PHE 1 HE2 PHE 1 7.799 4.879 -3.064 9 HZ PHE 1 HZ PHE 1 8.140 6.474 -4.931 10 H LEU 2 HN LEU 2 2.405 1.230 -3.841 11 HA LEU 2 HA LEU 2 1.245 -0.649 -3.630 12 HB2 LEU 2 HB1 LEU 2 -0.163 0.604 -6.023 13 HB3 LEU 2 HB2 LEU 2 -0.689 -0.990 -5.438 14 HG LEU 2 HG LEU 2 -1.008 0.013 -3.118 15 HD11 LEU 2 HD11 LEU 2 -0.746 2.673 -4.667 16 HD12 LEU 2 HD12 LEU 2 0.277 2.135 -3.284 17 HD13 LEU 2 HD13 LEU 2 -1.462 2.495 -3.023 18 HD21 LEU 2 HD21 LEU 2 -3.226 0.965 -3.723 19 HD22 LEU 2 HD22 LEU 2 -2.874 -0.519 -4.685 20 HD23 LEU 2 HD23 LEU 2 -2.707 1.115 -5.442 21 HA PRO 3 HA PRO 3 2.800 -3.871 -6.400 22 HB2 PRO 3 HB1 PRO 3 0.874 -5.876 -6.419 23 HB3 PRO 3 HB2 PRO 3 1.932 -5.520 -5.004 24 HG2 PRO 3 HG1 PRO 3 -0.907 -4.456 -5.481 25 HG3 PRO 3 HG2 PRO 3 -0.277 -5.324 -4.015 26 HD2 PRO 3 HD1 PRO 3 -0.367 -2.598 -4.055 27 HD3 PRO 3 HD2 PRO 3 1.122 -3.421 -3.414 28 H ILE 4 HN ILE 4 2.486 -2.044 -7.969 29 HA ILE 4 HA ILE 4 0.301 -1.669 -9.518 30 HB ILE 4 HB ILE 4 2.088 -0.090 -9.244 31 HG12 ILE 4 HG11 ILE 4 1.657 -0.704 -12.227 32 HG13 ILE 4 HG12 ILE 4 0.429 0.038 -11.151 33 HG21 ILE 4 HG21 ILE 4 4.046 -1.685 -9.419 34 HG22 ILE 4 HG22 ILE 4 3.764 -1.793 -11.207 35 HG23 ILE 4 HG23 ILE 4 4.220 -0.232 -10.447 36 HD11 ILE 4 HD1 ILE 4 2.022 1.942 -10.657 37 HD12 ILE 4 HD2 ILE 4 3.202 1.236 -11.819 38 HD13 ILE 4 HD3 ILE 4 1.604 1.817 -12.405 39 H LEU 5 HN LEU 5 2.983 -3.914 -10.377 40 HA LEU 5 HA LEU 5 2.002 -4.573 -12.915 41 HB2 LEU 5 HB1 LEU 5 3.580 -6.343 -10.959 42 HB3 LEU 5 HB2 LEU 5 3.433 -6.604 -12.725 43 HG LEU 5 HG LEU 5 4.798 -4.194 -11.375 44 HD11 LEU 5 HD11 LEU 5 5.983 -6.628 -12.847 45 HD12 LEU 5 HD12 LEU 5 6.043 -6.334 -11.068 46 HD13 LEU 5 HD13 LEU 5 6.904 -5.224 -12.197 47 HD21 LEU 5 HD21 LEU 5 4.610 -4.986 -14.354 48 HD22 LEU 5 HD22 LEU 5 5.657 -3.687 -13.679 49 HD23 LEU 5 HD23 LEU 5 3.869 -3.526 -13.592 50 H ALA 6 HN ALA 6 1.247 -6.084 -9.748 51 HA ALA 6 HA ALA 6 -0.470 -8.084 -10.787 52 HB1 ALA 6 HB1 ALA 6 -0.393 -6.755 -8.007 53 HB2 ALA 6 HB2 ALA 6 -1.206 -8.315 -8.411 54 HB3 ALA 6 HB3 ALA 6 0.584 -8.185 -8.508 55 H SER 7 HN SER 7 -1.041 -4.751 -9.640 56 HA SER 7 HA SER 7 -3.842 -4.754 -9.951 57 HB2 SER 7 HB1 SER 7 -2.415 -3.007 -8.738 58 HB3 SER 7 HB2 SER 7 -2.017 -2.319 -10.347 59 HG SER 7 HG1 SER 7 -3.831 -1.309 -9.358 60 H LEU 8 HN LEU 8 -1.273 -3.828 -12.333 61 HA LEU 8 HA LEU 8 -3.017 -3.266 -14.450 62 HB2 LEU 8 HB1 LEU 8 -0.110 -3.940 -14.088 63 HB3 LEU 8 HB2 LEU 8 -0.747 -4.223 -15.728 64 HG LEU 8 HG LEU 8 0.367 -2.019 -15.389 65 HD11 LEU 8 HD11 LEU 8 -1.216 -0.744 -16.767 66 HD12 LEU 8 HD12 LEU 8 -2.570 -1.828 -16.284 67 HD13 LEU 8 HD13 LEU 8 -1.206 -2.473 -17.278 68 HD21 LEU 8 HD21 LEU 8 -2.159 -1.200 -13.814 69 HD22 LEU 8 HD22 LEU 8 -0.818 -0.125 -14.350 70 HD23 LEU 8 HD23 LEU 8 -0.503 -1.403 -13.122 71 H ALA 9 HN ALA 9 -1.430 -6.451 -13.643 72 HA ALA 9 HA ALA 9 -2.631 -7.798 -15.783 73 HB1 ALA 9 HB1 ALA 9 -1.988 -9.860 -14.508 74 HB2 ALA 9 HB2 ALA 9 -0.672 -8.632 -14.474 75 HB3 ALA 9 HB3 ALA 9 -1.725 -8.849 -13.033 76 H ALA 10 HN ALA 10 -3.815 -7.543 -12.370 77 HA ALA 10 HA ALA 10 -6.104 -9.193 -13.124 78 HB1 ALA 10 HB1 ALA 10 -5.075 -8.193 -10.410 79 HB2 ALA 10 HB2 ALA 10 -6.391 -9.416 -10.667 80 HB3 ALA 10 HB3 ALA 10 -4.702 -9.781 -11.164 81 H LYS 11 HN LYS 11 -5.618 -5.796 -12.951 82 HA LYS 11 HA LYS 11 -8.561 -5.510 -12.894 83 HB2 LYS 11 HB1 LYS 11 -6.595 -3.650 -11.421 84 HB3 LYS 11 HB2 LYS 11 -8.337 -3.338 -11.688 85 HG2 LYS 11 HG1 LYS 11 -8.516 -4.146 -9.580 86 HG3 LYS 11 HG2 LYS 11 -8.666 -5.685 -10.495 87 HD2 LYS 11 HD1 LYS 11 -6.004 -5.770 -10.185 88 HD3 LYS 11 HD2 LYS 11 -6.274 -4.591 -8.884 89 HE2 LYS 11 HE1 LYS 11 -7.471 -7.452 -9.137 90 HE3 LYS 11 HE2 LYS 11 -6.164 -6.940 -7.997 91 HZ1 LYS 11 HZ1 LYS 11 -8.321 -7.051 -6.925 92 HZ2 LYS 11 HZ2 LYS 11 -8.967 -5.941 -8.032 93 HZ3 LYS 11 HZ3 LYS 11 -7.758 -5.449 -6.948 94 H PHE 12 HN PHE 12 -5.724 -4.977 -14.761 95 HA PHE 12 HA PHE 12 -7.376 -3.099 -16.340 96 HB2 PHE 12 HB1 PHE 12 -4.314 -3.235 -16.182 97 HB3 PHE 12 HB2 PHE 12 -5.193 -2.437 -17.511 98 HD1 PHE 12 HD1 PHE 12 -5.168 -0.164 -17.399 99 HD2 PHE 12 HD2 PHE 12 -5.284 -2.360 -13.711 100 HE1 PHE 12 HE1 PHE 12 -4.985 1.951 -16.130 101 HE2 PHE 12 HE2 PHE 12 -5.150 -0.263 -12.448 102 HZ PHE 12 HZ PHE 12 -4.976 1.908 -13.644 103 H GLY 13 HN GLY 13 -6.490 -6.359 -16.253 104 HA2 GLY 13 HA1 GLY 13 -5.618 -6.979 -18.721 105 HA3 GLY 13 HA2 GLY 13 -6.812 -7.955 -17.824 106 HA PRO 14 HA PRO 14 -9.502 -7.034 -21.206 107 HB2 PRO 14 HB1 PRO 14 -12.068 -6.601 -20.181 108 HB3 PRO 14 HB2 PRO 14 -11.220 -8.185 -20.042 109 HG2 PRO 14 HG1 PRO 14 -11.317 -5.950 -17.937 110 HG3 PRO 14 HG2 PRO 14 -11.701 -7.708 -17.714 111 HD2 PRO 14 HD1 PRO 14 -9.211 -6.710 -17.088 112 HD3 PRO 14 HD2 PRO 14 -9.370 -8.326 -17.917 113 H LYS 15 HN LYS 15 -9.184 -4.591 -18.847 114 HA LYS 15 HA LYS 15 -10.460 -2.404 -20.126 115 HB2 LYS 15 HB1 LYS 15 -9.832 -2.696 -17.684 116 HB3 LYS 15 HB2 LYS 15 -8.118 -2.491 -18.166 117 HG2 LYS 15 HG1 LYS 15 -8.574 -0.153 -18.874 118 HG3 LYS 15 HG2 LYS 15 -10.303 -0.339 -18.411 119 HD2 LYS 15 HD1 LYS 15 -9.642 -0.934 -16.078 120 HD3 LYS 15 HD2 LYS 15 -7.917 -0.888 -16.543 121 HE2 LYS 15 HE1 LYS 15 -8.111 1.611 -16.974 122 HE3 LYS 15 HE2 LYS 15 -9.818 1.545 -16.364 123 HZ1 LYS 15 HZ1 LYS 15 -8.922 0.559 -14.307 124 HZ2 LYS 15 HZ2 LYS 15 -8.305 2.119 -14.591 125 HZ3 LYS 15 HZ3 LYS 15 -7.351 0.749 -14.890 126 H LEU 16 HN LEU 16 -7.116 -3.708 -20.222 127 HA LEU 16 HA LEU 16 -5.979 -1.848 -21.941 128 HB2 LEU 16 HB1 LEU 16 -4.830 -3.575 -20.533 129 HB3 LEU 16 HB2 LEU 16 -5.409 -4.860 -21.619 130 HG LEU 16 HG LEU 16 -2.997 -4.143 -21.829 131 HD11 LEU 16 HD11 LEU 16 -4.507 -3.822 -24.489 132 HD12 LEU 16 HD12 LEU 16 -4.157 -5.393 -23.667 133 HD13 LEU 16 HD13 LEU 16 -2.809 -4.342 -24.234 134 HD21 LEU 16 HD21 LEU 16 -4.072 -1.614 -23.222 135 HD22 LEU 16 HD22 LEU 16 -2.355 -2.111 -23.044 136 HD23 LEU 16 HD23 LEU 16 -3.310 -1.663 -21.582 137 H PHE 17 HN PHE 17 -7.762 -4.889 -22.689 138 HA PHE 17 HA PHE 17 -7.564 -4.669 -25.476 139 HB2 PHE 17 HB1 PHE 17 -8.249 -6.749 -24.216 140 HB3 PHE 17 HB2 PHE 17 -9.816 -5.962 -23.807 141 HD1 PHE 17 HD1 PHE 17 -11.613 -6.241 -25.296 142 HD2 PHE 17 HD2 PHE 17 -7.617 -6.845 -26.754 143 HE1 PHE 17 HE1 PHE 17 -12.522 -7.015 -27.469 144 HE2 PHE 17 HE2 PHE 17 -8.526 -7.612 -28.926 145 HZ PHE 17 HZ PHE 17 -10.977 -7.698 -29.285 146 H CYS 18 HN CYS 18 -10.168 -3.416 -23.268 147 HA CYS 18 HA CYS 18 -11.605 -2.289 -25.400 148 HB2 CYS 18 HB1 CYS 18 -13.070 -1.245 -23.954 149 HB3 CYS 18 HB2 CYS 18 -12.616 -2.791 -23.191 150 H LEU 19 HN LEU 19 -9.002 -0.755 -23.416 151 HA LEU 19 HA LEU 19 -9.353 1.730 -24.733 152 HB2 LEU 19 HB1 LEU 19 -7.548 2.628 -23.579 153 HB3 LEU 19 HB2 LEU 19 -8.440 1.541 -22.480 154 HG LEU 19 HG LEU 19 -6.568 -0.225 -23.217 155 HD11 LEU 19 HD11 LEU 19 -5.356 1.276 -24.854 156 HD12 LEU 19 HD12 LEU 19 -4.319 0.860 -23.446 157 HD13 LEU 19 HD13 LEU 19 -5.098 2.480 -23.540 158 HD21 LEU 19 HD21 LEU 19 -6.087 2.065 -21.205 159 HD22 LEU 19 HD22 LEU 19 -5.260 0.461 -21.203 160 HD23 LEU 19 HD23 LEU 19 -7.037 0.556 -20.903 161 H VAL 20 HN VAL 20 -7.109 -1.006 -25.546 162 HA VAL 20 HA VAL 20 -5.867 0.495 -27.569 163 HB VAL 20 HB VAL 20 -4.915 -1.524 -26.509 164 HG11 VAL 20 HG11 VAL 20 -6.906 -3.052 -26.752 165 HG12 VAL 20 HG12 VAL 20 -6.666 -3.070 -28.544 166 HG13 VAL 20 HG13 VAL 20 -5.403 -3.743 -27.459 167 HG21 VAL 20 HG21 VAL 20 -4.953 -1.431 -29.603 168 HG22 VAL 20 HG22 VAL 20 -3.939 -0.394 -28.525 169 HG23 VAL 20 HG23 VAL 20 -3.687 -2.175 -28.568 170 H THR 21 HN THR 21 -8.787 -1.584 -27.754 171 HA THR 21 HA THR 21 -9.107 -1.050 -30.563 172 HB THR 21 HB THR 21 -9.970 -3.086 -29.438 173 HG1 THR 21 HG1 THR 21 -11.734 -3.145 -30.760 174 HG21 THR 21 HG21 THR 21 -11.063 -1.915 -27.461 175 HG22 THR 21 HG22 THR 21 -12.192 -2.994 -28.359 176 HG23 THR 21 HG23 THR 21 -12.282 -1.208 -28.586 177 H LYS 22 HN LYS 22 -9.669 0.781 -27.762 178 HA LYS 22 HA LYS 22 -10.215 2.857 -27.424 179 HB2 LYS 22 HB1 LYS 22 -10.619 3.164 -30.419 180 HB3 LYS 22 HB2 LYS 22 -10.537 4.511 -29.253 181 HG2 LYS 22 HG1 LYS 22 -8.254 4.246 -28.808 182 HG3 LYS 22 HG2 LYS 22 -8.185 2.551 -29.335 183 HD2 LYS 22 HD1 LYS 22 -8.700 4.919 -31.237 184 HD3 LYS 22 HD2 LYS 22 -7.071 4.269 -30.908 185 HE2 LYS 22 HE1 LYS 22 -9.400 2.602 -32.118 186 HE3 LYS 22 HE2 LYS 22 -8.105 3.417 -33.074 187 HZ1 LYS 22 HZ1 LYS 22 -6.468 2.069 -31.999 188 HZ2 LYS 22 HZ2 LYS 22 -7.683 1.053 -32.608 189 HZ3 LYS 22 HZ3 LYS 22 -7.583 1.371 -30.959 190 H LYS 23 HN LYS 23 -12.111 0.941 -26.969 191 HA LYS 23 HA LYS 23 -14.632 2.456 -27.353 192 HB2 LYS 23 HB1 LYS 23 -14.259 -0.576 -27.104 193 HB3 LYS 23 HB2 LYS 23 -15.834 0.250 -27.265 194 HG2 LYS 23 HG1 LYS 23 -13.649 0.257 -29.464 195 HG3 LYS 23 HG2 LYS 23 -14.927 -0.966 -29.286 196 HD2 LYS 23 HD1 LYS 23 -15.793 0.376 -30.910 197 HD3 LYS 23 HD2 LYS 23 -16.664 0.945 -29.449 198 HE2 LYS 23 HE1 LYS 23 -15.209 2.984 -29.362 199 HE3 LYS 23 HE2 LYS 23 -14.165 2.326 -30.684 200 HZ1 LYS 23 HZ1 LYS 23 -17.051 3.027 -30.925 201 HZ2 LYS 23 HZ2 LYS 23 -16.051 2.438 -32.164 202 HZ3 LYS 23 HZ3 LYS 23 -15.739 3.955 -31.472 203 H CYS 24 HN CYS 24 -12.424 2.313 -25.128 204 HA CYS 24 HA CYS 24 -13.807 1.017 -22.977 205 HB2 CYS 24 HB1 CYS 24 -11.204 1.488 -23.387 206 HB3 CYS 24 HB2 CYS 24 -11.525 2.981 -22.487 Start of MODEL 13 1 H1 PHE 1 HN PHE 1 1.127 -0.936 -0.021 2 HA PHE 1 HA PHE 1 3.270 0.527 -0.629 3 HB2 PHE 1 HB1 PHE 1 3.759 -2.399 -1.504 4 HB3 PHE 1 HB2 PHE 1 4.690 -1.003 -2.179 5 HD1 PHE 1 HD1 PHE 1 6.114 0.390 -0.694 6 HD2 PHE 1 HD2 PHE 1 4.277 -3.240 0.686 7 HE1 PHE 1 HE1 PHE 1 7.707 0.303 1.200 8 HE2 PHE 1 HE2 PHE 1 5.875 -3.329 2.577 9 HZ PHE 1 HZ PHE 1 7.590 -1.557 2.835 10 H LEU 2 HN LEU 2 3.594 0.187 -3.397 11 HA LEU 2 HA LEU 2 0.785 0.403 -4.312 12 HB2 LEU 2 HB1 LEU 2 3.349 1.595 -5.464 13 HB3 LEU 2 HB2 LEU 2 1.705 1.790 -6.155 14 HG LEU 2 HG LEU 2 2.614 2.782 -3.388 15 HD11 LEU 2 HD11 LEU 2 3.701 4.016 -5.263 16 HD12 LEU 2 HD12 LEU 2 2.502 5.048 -4.399 17 HD13 LEU 2 HD13 LEU 2 2.083 4.333 -6.000 18 HD21 LEU 2 HD21 LEU 2 0.177 2.305 -3.367 19 HD22 LEU 2 HD22 LEU 2 -0.039 3.233 -4.904 20 HD23 LEU 2 HD23 LEU 2 0.466 4.075 -3.394 21 HA PRO 3 HA PRO 3 2.545 -3.175 -6.491 22 HB2 PRO 3 HB1 PRO 3 0.441 -4.912 -6.456 23 HB3 PRO 3 HB2 PRO 3 1.230 -4.388 -4.922 24 HG2 PRO 3 HG1 PRO 3 -1.307 -3.182 -6.173 25 HG3 PRO 3 HG2 PRO 3 -1.097 -3.831 -4.490 26 HD2 PRO 3 HD1 PRO 3 -0.781 -1.135 -5.041 27 HD3 PRO 3 HD2 PRO 3 0.293 -1.999 -3.856 28 H ILE 4 HN ILE 4 2.525 -1.380 -8.205 29 HA ILE 4 HA ILE 4 0.423 -0.953 -9.901 30 HB ILE 4 HB ILE 4 2.263 0.561 -9.623 31 HG12 ILE 4 HG11 ILE 4 1.974 -0.242 -12.579 32 HG13 ILE 4 HG12 ILE 4 0.730 0.636 -11.635 33 HG21 ILE 4 HG21 ILE 4 4.151 -1.138 -9.577 34 HG22 ILE 4 HG22 ILE 4 3.970 -1.336 -11.368 35 HG23 ILE 4 HG23 ILE 4 4.456 0.242 -10.674 36 HD11 ILE 4 HD1 ILE 4 2.071 2.248 -12.948 37 HD12 ILE 4 HD2 ILE 4 2.392 2.498 -11.194 38 HD13 ILE 4 HD3 ILE 4 3.598 1.640 -12.221 39 H LEU 5 HN LEU 5 3.050 -3.357 -10.519 40 HA LEU 5 HA LEU 5 2.122 -4.085 -13.064 41 HB2 LEU 5 HB1 LEU 5 3.604 -5.812 -10.999 42 HB3 LEU 5 HB2 LEU 5 3.493 -6.141 -12.756 43 HG LEU 5 HG LEU 5 4.890 -3.716 -11.469 44 HD11 LEU 5 HD11 LEU 5 6.042 -6.238 -12.814 45 HD12 LEU 5 HD12 LEU 5 6.068 -5.875 -11.048 46 HD13 LEU 5 HD13 LEU 5 6.986 -4.834 -12.197 47 HD21 LEU 5 HD21 LEU 5 5.818 -3.324 -13.770 48 HD22 LEU 5 HD22 LEU 5 4.033 -3.113 -13.734 49 HD23 LEU 5 HD23 LEU 5 4.752 -4.621 -14.419 50 H ALA 6 HN ALA 6 1.270 -5.450 -9.859 51 HA ALA 6 HA ALA 6 -0.456 -7.461 -10.840 52 HB1 ALA 6 HB1 ALA 6 -0.420 -5.997 -8.129 53 HB2 ALA 6 HB2 ALA 6 -1.250 -7.561 -8.470 54 HB3 ALA 6 HB3 ALA 6 0.543 -7.465 -8.535 55 H SER 7 HN SER 7 -1.043 -4.082 -9.806 56 HA SER 7 HA SER 7 -3.823 -4.066 -10.219 57 HB2 SER 7 HB1 SER 7 -2.483 -2.293 -9.005 58 HB3 SER 7 HB2 SER 7 -1.900 -1.700 -10.596 59 HG SER 7 HG1 SER 7 -3.781 -0.600 -9.742 60 H LEU 8 HN LEU 8 -1.169 -3.257 -12.565 61 HA LEU 8 HA LEU 8 -2.856 -2.693 -14.716 62 HB2 LEU 8 HB1 LEU 8 0.016 -3.430 -14.296 63 HB3 LEU 8 HB2 LEU 8 -0.595 -3.784 -15.931 64 HG LEU 8 HG LEU 8 0.552 -1.591 -15.697 65 HD11 LEU 8 HD11 LEU 8 -0.982 -0.347 -17.143 66 HD12 LEU 8 HD12 LEU 8 -2.377 -1.350 -16.609 67 HD13 LEU 8 HD13 LEU 8 -1.038 -2.098 -17.566 68 HD21 LEU 8 HD21 LEU 8 -0.300 -0.847 -13.466 69 HD22 LEU 8 HD22 LEU 8 -1.954 -0.643 -14.161 70 HD23 LEU 8 HD23 LEU 8 -0.594 0.377 -14.752 71 H ALA 9 HN ALA 9 -1.382 -5.913 -13.850 72 HA ALA 9 HA ALA 9 -2.657 -7.263 -15.960 73 HB1 ALA 9 HB1 ALA 9 -2.034 -9.319 -14.662 74 HB2 ALA 9 HB2 ALA 9 -0.686 -8.126 -14.691 75 HB3 ALA 9 HB3 ALA 9 -1.699 -8.286 -13.216 76 H ALA 10 HN ALA 10 -3.728 -6.947 -12.514 77 HA ALA 10 HA ALA 10 -6.060 -8.564 -13.143 78 HB1 ALA 10 HB1 ALA 10 -4.978 -7.481 -10.478 79 HB2 ALA 10 HB2 ALA 10 -6.264 -8.743 -10.679 80 HB3 ALA 10 HB3 ALA 10 -4.576 -9.076 -11.195 81 H LYS 11 HN LYS 11 -5.552 -5.296 -13.366 82 HA LYS 11 HA LYS 11 -8.431 -4.817 -13.100 83 HB2 LYS 11 HB1 LYS 11 -6.684 -4.199 -10.999 84 HB3 LYS 11 HB2 LYS 11 -6.660 -2.680 -11.885 85 HG2 LYS 11 HG1 LYS 11 -8.367 -2.501 -10.168 86 HG3 LYS 11 HG2 LYS 11 -9.208 -2.592 -11.744 87 HD2 LYS 11 HD1 LYS 11 -10.426 -3.981 -10.160 88 HD3 LYS 11 HD2 LYS 11 -9.638 -5.035 -11.362 89 HE2 LYS 11 HE1 LYS 11 -7.694 -5.010 -9.328 90 HE3 LYS 11 HE2 LYS 11 -9.199 -4.786 -8.359 91 HZ1 LYS 11 HZ1 LYS 11 -8.660 -6.893 -10.377 92 HZ2 LYS 11 HZ2 LYS 11 -10.091 -6.774 -9.475 93 HZ3 LYS 11 HZ3 LYS 11 -8.616 -7.122 -8.699 94 H PHE 12 HN PHE 12 -5.607 -4.317 -15.009 95 HA PHE 12 HA PHE 12 -7.243 -2.396 -16.555 96 HB2 PHE 12 HB1 PHE 12 -4.184 -2.552 -16.335 97 HB3 PHE 12 HB2 PHE 12 -5.023 -1.713 -17.670 98 HD1 PHE 12 HD1 PHE 12 -5.298 0.560 -17.486 99 HD2 PHE 12 HD2 PHE 12 -4.991 -1.750 -13.880 100 HE1 PHE 12 HE1 PHE 12 -5.381 2.637 -16.144 101 HE2 PHE 12 HE2 PHE 12 -5.075 0.311 -12.544 102 HZ PHE 12 HZ PHE 12 -5.282 2.518 -13.668 103 H GLY 13 HN GLY 13 -6.065 -5.645 -16.550 104 HA2 GLY 13 HA1 GLY 13 -5.372 -6.136 -19.090 105 HA3 GLY 13 HA2 GLY 13 -6.398 -7.230 -18.122 106 HA PRO 14 HA PRO 14 -9.459 -6.507 -21.209 107 HB2 PRO 14 HB1 PRO 14 -11.937 -6.166 -19.944 108 HB3 PRO 14 HB2 PRO 14 -11.020 -7.716 -19.911 109 HG2 PRO 14 HG1 PRO 14 -10.994 -5.508 -17.778 110 HG3 PRO 14 HG2 PRO 14 -11.285 -7.282 -17.541 111 HD2 PRO 14 HD1 PRO 14 -8.787 -6.205 -17.143 112 HD3 PRO 14 HD2 PRO 14 -8.959 -7.802 -18.003 113 H LYS 15 HN LYS 15 -9.015 -3.978 -18.938 114 HA LYS 15 HA LYS 15 -10.538 -1.923 -20.197 115 HB2 LYS 15 HB1 LYS 15 -9.671 -2.021 -17.794 116 HB3 LYS 15 HB2 LYS 15 -8.044 -1.651 -18.455 117 HG2 LYS 15 HG1 LYS 15 -9.011 0.498 -19.432 118 HG3 LYS 15 HG2 LYS 15 -10.523 0.187 -18.530 119 HD2 LYS 15 HD1 LYS 15 -7.694 0.309 -17.335 120 HD3 LYS 15 HD2 LYS 15 -8.787 1.729 -17.368 121 HE2 LYS 15 HE1 LYS 15 -10.200 0.912 -15.669 122 HE3 LYS 15 HE2 LYS 15 -9.817 -0.815 -16.001 123 HZ1 LYS 15 HZ1 LYS 15 -8.146 -0.787 -14.629 124 HZ2 LYS 15 HZ2 LYS 15 -8.741 0.663 -14.003 125 HZ3 LYS 15 HZ3 LYS 15 -7.497 0.673 -15.157 126 H LEU 16 HN LEU 16 -7.121 -3.017 -20.478 127 HA LEU 16 HA LEU 16 -6.312 -1.187 -22.432 128 HB2 LEU 16 HB1 LEU 16 -4.801 -2.647 -21.062 129 HB3 LEU 16 HB2 LEU 16 -5.439 -4.088 -21.899 130 HG LEU 16 HG LEU 16 -4.492 -3.248 -24.067 131 HD11 LEU 16 HD11 LEU 16 -3.308 -0.970 -22.348 132 HD12 LEU 16 HD12 LEU 16 -4.504 -0.788 -23.692 133 HD13 LEU 16 HD13 LEU 16 -2.837 -1.358 -24.042 134 HD21 LEU 16 HD21 LEU 16 -3.187 -4.793 -22.610 135 HD22 LEU 16 HD22 LEU 16 -2.453 -3.382 -21.758 136 HD23 LEU 16 HD23 LEU 16 -2.106 -3.662 -23.505 137 H PHE 17 HN PHE 17 -7.856 -4.422 -22.774 138 HA PHE 17 HA PHE 17 -7.853 -4.473 -25.570 139 HB2 PHE 17 HB1 PHE 17 -8.291 -6.451 -24.049 140 HB3 PHE 17 HB2 PHE 17 -9.908 -5.759 -23.661 141 HD1 PHE 17 HD1 PHE 17 -11.728 -6.194 -25.121 142 HD2 PHE 17 HD2 PHE 17 -7.724 -6.896 -26.515 143 HE1 PHE 17 HE1 PHE 17 -12.627 -7.242 -27.179 144 HE2 PHE 17 HE2 PHE 17 -8.624 -7.941 -28.572 145 HZ PHE 17 HZ PHE 17 -11.075 -8.114 -28.906 146 H CYS 18 HN CYS 18 -10.441 -3.205 -23.341 147 HA CYS 18 HA CYS 18 -12.053 -2.340 -25.488 148 HB2 CYS 18 HB1 CYS 18 -13.478 -1.232 -24.020 149 HB3 CYS 18 HB2 CYS 18 -12.946 -2.732 -23.219 150 H LEU 19 HN LEU 19 -9.382 -0.651 -23.805 151 HA LEU 19 HA LEU 19 -9.753 1.829 -25.066 152 HB2 LEU 19 HB1 LEU 19 -8.399 1.296 -23.036 153 HB3 LEU 19 HB2 LEU 19 -7.156 0.529 -24.054 154 HG LEU 19 HG LEU 19 -8.019 3.456 -24.455 155 HD11 LEU 19 HD11 LEU 19 -5.892 2.407 -22.484 156 HD12 LEU 19 HD12 LEU 19 -7.471 3.166 -22.042 157 HD13 LEU 19 HD13 LEU 19 -6.206 4.136 -22.884 158 HD21 LEU 19 HD21 LEU 19 -6.514 2.587 -26.248 159 HD22 LEU 19 HD22 LEU 19 -5.365 1.962 -25.002 160 HD23 LEU 19 HD23 LEU 19 -5.616 3.733 -25.201 161 H VAL 20 HN VAL 20 -7.596 -0.928 -26.112 162 HA VAL 20 HA VAL 20 -6.738 0.464 -28.394 163 HB VAL 20 HB VAL 20 -5.487 -1.354 -27.338 164 HG11 VAL 20 HG11 VAL 20 -5.949 -3.701 -27.914 165 HG12 VAL 20 HG12 VAL 20 -7.365 -3.006 -27.050 166 HG13 VAL 20 HG13 VAL 20 -7.419 -3.250 -28.842 167 HG21 VAL 20 HG21 VAL 20 -4.550 -2.200 -29.472 168 HG22 VAL 20 HG22 VAL 20 -6.015 -1.680 -30.371 169 HG23 VAL 20 HG23 VAL 20 -4.930 -0.447 -29.610 170 H THR 21 HN THR 21 -9.457 -1.800 -28.007 171 HA THR 21 HA THR 21 -10.215 -1.703 -30.770 172 HB THR 21 HB THR 21 -12.343 -2.760 -30.076 173 HG1 THR 21 HG1 THR 21 -11.231 -2.972 -27.516 174 HG21 THR 21 HG21 THR 21 -10.318 -4.164 -30.557 175 HG22 THR 21 HG22 THR 21 -11.338 -4.882 -29.261 176 HG23 THR 21 HG23 THR 21 -9.809 -4.043 -28.833 177 H LYS 22 HN LYS 22 -10.492 0.540 -28.254 178 HA LYS 22 HA LYS 22 -11.408 2.492 -28.016 179 HB2 LYS 22 HB1 LYS 22 -11.810 2.323 -31.023 180 HB3 LYS 22 HB2 LYS 22 -12.107 3.813 -30.068 181 HG2 LYS 22 HG1 LYS 22 -9.843 4.018 -29.384 182 HG3 LYS 22 HG2 LYS 22 -9.396 2.367 -29.863 183 HD2 LYS 22 HD1 LYS 22 -10.325 4.485 -31.895 184 HD3 LYS 22 HD2 LYS 22 -8.627 4.378 -31.371 185 HE2 LYS 22 HE1 LYS 22 -10.175 2.049 -32.719 186 HE3 LYS 22 HE2 LYS 22 -9.071 3.204 -33.564 187 HZ1 LYS 22 HZ1 LYS 22 -7.860 1.256 -33.034 188 HZ2 LYS 22 HZ2 LYS 22 -8.333 1.260 -31.423 189 HZ3 LYS 22 HZ3 LYS 22 -7.313 2.475 -31.990 190 H LYS 23 HN LYS 23 -12.837 0.761 -26.923 191 HA LYS 23 HA LYS 23 -15.645 1.560 -27.295 192 HB2 LYS 23 HB1 LYS 23 -14.572 -1.280 -26.715 193 HB3 LYS 23 HB2 LYS 23 -16.304 -0.832 -26.814 194 HG2 LYS 23 HG1 LYS 23 -14.275 -0.761 -29.116 195 HG3 LYS 23 HG2 LYS 23 -15.439 -2.076 -28.817 196 HD2 LYS 23 HD1 LYS 23 -17.347 -0.767 -29.349 197 HD3 LYS 23 HD2 LYS 23 -16.496 0.786 -29.167 198 HE2 LYS 23 HE1 LYS 23 -15.954 -1.225 -31.460 199 HE3 LYS 23 HE2 LYS 23 -16.980 0.264 -31.560 200 HZ1 LYS 23 HZ1 LYS 23 -14.898 0.947 -32.299 201 HZ2 LYS 23 HZ2 LYS 23 -14.048 0.080 -31.111 202 HZ3 LYS 23 HZ3 LYS 23 -14.906 1.426 -30.665 203 H CYS 24 HN CYS 24 -13.289 2.223 -25.356 204 HA CYS 24 HA CYS 24 -14.245 0.965 -22.907 205 HB2 CYS 24 HB1 CYS 24 -11.724 1.557 -23.724 206 HB3 CYS 24 HB2 CYS 24 -12.056 3.072 -22.866 Start of MODEL 14 1 H1 PHE 1 HN PHE 1 4.347 -2.275 -0.885 2 HA PHE 1 HA PHE 1 2.277 -1.084 -0.394 3 HB2 PHE 1 HB1 PHE 1 4.562 0.722 -1.459 4 HB3 PHE 1 HB2 PHE 1 3.234 1.270 -0.362 5 HD1 PHE 1 HD1 PHE 1 2.970 0.093 1.890 6 HD2 PHE 1 HD2 PHE 1 6.494 -0.294 -0.540 7 HE1 PHE 1 HE1 PHE 1 4.251 -0.668 3.867 8 HE2 PHE 1 HE2 PHE 1 7.773 -1.056 1.442 9 HZ PHE 1 HZ PHE 1 6.651 -1.246 3.644 10 H LEU 2 HN LEU 2 3.698 -0.262 -3.573 11 HA LEU 2 HA LEU 2 1.007 0.624 -4.483 12 HB2 LEU 2 HB1 LEU 2 3.810 1.340 -5.457 13 HB3 LEU 2 HB2 LEU 2 2.349 1.580 -6.460 14 HG LEU 2 HG LEU 2 1.360 3.029 -4.643 15 HD11 LEU 2 HD11 LEU 2 4.225 2.925 -3.497 16 HD12 LEU 2 HD12 LEU 2 2.697 2.449 -2.655 17 HD13 LEU 2 HD13 LEU 2 2.988 4.167 -3.079 18 HD21 LEU 2 HD21 LEU 2 4.011 3.939 -5.928 19 HD22 LEU 2 HD22 LEU 2 2.701 5.017 -5.325 20 HD23 LEU 2 HD23 LEU 2 2.393 3.928 -6.730 21 HA PRO 3 HA PRO 3 2.020 -3.303 -6.541 22 HB2 PRO 3 HB1 PRO 3 -0.403 -4.575 -6.498 23 HB3 PRO 3 HB2 PRO 3 0.442 -4.148 -4.962 24 HG2 PRO 3 HG1 PRO 3 -1.750 -2.498 -6.357 25 HG3 PRO 3 HG2 PRO 3 -1.739 -3.109 -4.646 26 HD2 PRO 3 HD1 PRO 3 -0.841 -0.566 -5.253 27 HD3 PRO 3 HD2 PRO 3 0.003 -1.601 -4.019 28 H ILE 4 HN ILE 4 2.243 -1.399 -8.255 29 HA ILE 4 HA ILE 4 0.257 -0.865 -10.086 30 HB ILE 4 HB ILE 4 2.098 0.557 -9.663 31 HG12 ILE 4 HG11 ILE 4 0.841 0.614 -11.913 32 HG13 ILE 4 HG12 ILE 4 2.351 1.542 -11.706 33 HG21 ILE 4 HG21 ILE 4 3.952 -1.472 -11.065 34 HG22 ILE 4 HG22 ILE 4 4.387 0.176 -10.508 35 HG23 ILE 4 HG23 ILE 4 3.931 -1.067 -9.303 36 HD11 ILE 4 HD1 ILE 4 2.279 0.499 -13.948 37 HD12 ILE 4 HD2 ILE 4 3.655 -0.146 -12.997 38 HD13 ILE 4 HD3 ILE 4 2.170 -1.143 -13.233 39 H LEU 5 HN LEU 5 2.844 -3.349 -10.504 40 HA LEU 5 HA LEU 5 2.021 -4.114 -13.077 41 HB2 LEU 5 HB1 LEU 5 3.405 -5.819 -10.927 42 HB3 LEU 5 HB2 LEU 5 3.370 -6.164 -12.684 43 HG LEU 5 HG LEU 5 4.727 -3.743 -11.348 44 HD11 LEU 5 HD11 LEU 5 5.914 -6.267 -12.657 45 HD12 LEU 5 HD12 LEU 5 5.873 -5.910 -10.890 46 HD13 LEU 5 HD13 LEU 5 6.842 -4.871 -11.999 47 HD21 LEU 5 HD21 LEU 5 3.962 -3.122 -13.639 48 HD22 LEU 5 HD22 LEU 5 4.693 -4.635 -14.304 49 HD23 LEU 5 HD23 LEU 5 5.745 -3.350 -13.610 50 H ALA 6 HN ALA 6 1.036 -5.404 -9.886 51 HA ALA 6 HA ALA 6 -0.644 -7.443 -10.876 52 HB1 ALA 6 HB1 ALA 6 -0.718 -5.887 -8.216 53 HB2 ALA 6 HB2 ALA 6 -1.544 -7.460 -8.536 54 HB3 ALA 6 HB3 ALA 6 0.251 -7.371 -8.534 55 H SER 7 HN SER 7 -1.301 -4.031 -9.988 56 HA SER 7 HA SER 7 -4.057 -4.066 -10.558 57 HB2 SER 7 HB1 SER 7 -2.772 -2.251 -9.314 58 HB3 SER 7 HB2 SER 7 -2.167 -1.671 -10.901 59 HG SER 7 HG1 SER 7 -4.086 -0.586 -10.188 60 H LEU 8 HN LEU 8 -1.264 -3.315 -12.740 61 HA LEU 8 HA LEU 8 -2.778 -2.718 -14.990 62 HB2 LEU 8 HB1 LEU 8 0.037 -3.417 -14.352 63 HB3 LEU 8 HB2 LEU 8 -0.423 -3.957 -15.984 64 HG LEU 8 HG LEU 8 0.636 -1.741 -15.971 65 HD11 LEU 8 HD11 LEU 8 -0.977 -0.605 -17.488 66 HD12 LEU 8 HD12 LEU 8 -2.292 -1.719 -16.941 67 HD13 LEU 8 HD13 LEU 8 -0.864 -2.371 -17.817 68 HD21 LEU 8 HD21 LEU 8 -0.527 0.289 -15.165 69 HD22 LEU 8 HD22 LEU 8 -0.184 -0.845 -13.810 70 HD23 LEU 8 HD23 LEU 8 -1.854 -0.714 -14.462 71 H ALA 9 HN ALA 9 -1.532 -5.976 -14.003 72 HA ALA 9 HA ALA 9 -2.805 -7.252 -16.209 73 HB1 ALA 9 HB1 ALA 9 -0.834 -8.189 -14.999 74 HB2 ALA 9 HB2 ALA 9 -1.822 -8.354 -13.506 75 HB3 ALA 9 HB3 ALA 9 -2.213 -9.346 -14.966 76 H ALA 10 HN ALA 10 -3.825 -7.008 -12.720 77 HA ALA 10 HA ALA 10 -6.136 -8.654 -13.428 78 HB1 ALA 10 HB1 ALA 10 -4.924 -7.882 -10.714 79 HB2 ALA 10 HB2 ALA 10 -6.208 -9.127 -11.002 80 HB3 ALA 10 HB3 ALA 10 -4.546 -9.374 -11.645 81 H LYS 11 HN LYS 11 -5.657 -5.302 -12.975 82 HA LYS 11 HA LYS 11 -8.587 -5.027 -12.506 83 HB2 LYS 11 HB1 LYS 11 -6.240 -3.481 -11.377 84 HB3 LYS 11 HB2 LYS 11 -7.619 -2.508 -11.943 85 HG2 LYS 11 HG1 LYS 11 -7.869 -2.852 -9.593 86 HG3 LYS 11 HG2 LYS 11 -9.187 -3.687 -10.472 87 HD2 LYS 11 HD1 LYS 11 -8.021 -5.867 -10.169 88 HD3 LYS 11 HD2 LYS 11 -6.672 -5.048 -9.308 89 HE2 LYS 11 HE1 LYS 11 -8.235 -4.412 -7.449 90 HE3 LYS 11 HE2 LYS 11 -9.637 -5.077 -8.381 91 HZ1 LYS 11 HZ1 LYS 11 -7.297 -6.635 -7.389 92 HZ2 LYS 11 HZ2 LYS 11 -8.583 -7.246 -8.306 93 HZ3 LYS 11 HZ3 LYS 11 -8.866 -6.647 -6.746 94 H PHE 12 HN PHE 12 -5.717 -3.934 -14.407 95 HA PHE 12 HA PHE 12 -7.609 -2.531 -16.170 96 HB2 PHE 12 HB1 PHE 12 -4.557 -2.536 -16.070 97 HB3 PHE 12 HB2 PHE 12 -5.511 -1.666 -17.310 98 HD1 PHE 12 HD1 PHE 12 -3.563 -0.167 -15.912 99 HD2 PHE 12 HD2 PHE 12 -7.590 -1.054 -14.638 100 HE1 PHE 12 HE1 PHE 12 -3.601 1.890 -14.541 101 HE2 PHE 12 HE2 PHE 12 -7.610 0.981 -13.303 102 HZ PHE 12 HZ PHE 12 -5.632 2.472 -13.239 103 H GLY 13 HN GLY 13 -6.437 -5.719 -16.174 104 HA2 GLY 13 HA1 GLY 13 -5.705 -6.269 -18.688 105 HA3 GLY 13 HA2 GLY 13 -6.835 -7.288 -17.752 106 HA PRO 14 HA PRO 14 -9.774 -6.357 -20.909 107 HB2 PRO 14 HB1 PRO 14 -12.218 -5.640 -19.741 108 HB3 PRO 14 HB2 PRO 14 -11.502 -7.288 -19.594 109 HG2 PRO 14 HG1 PRO 14 -11.254 -4.979 -17.584 110 HG3 PRO 14 HG2 PRO 14 -11.766 -6.687 -17.260 111 HD2 PRO 14 HD1 PRO 14 -9.174 -5.880 -16.850 112 HD3 PRO 14 HD2 PRO 14 -9.509 -7.507 -17.598 113 H LYS 15 HN LYS 15 -9.185 -3.718 -18.726 114 HA LYS 15 HA LYS 15 -10.333 -1.636 -20.309 115 HB2 LYS 15 HB1 LYS 15 -10.032 -1.295 -17.959 116 HB3 LYS 15 HB2 LYS 15 -8.291 -1.689 -18.048 117 HG2 LYS 15 HG1 LYS 15 -7.774 0.367 -19.213 118 HG3 LYS 15 HG2 LYS 15 -9.504 0.770 -19.443 119 HD2 LYS 15 HD1 LYS 15 -9.886 1.280 -17.189 120 HD3 LYS 15 HD2 LYS 15 -8.542 0.286 -16.588 121 HE2 LYS 15 HE1 LYS 15 -8.127 2.935 -18.141 122 HE3 LYS 15 HE2 LYS 15 -8.205 2.814 -16.336 123 HZ1 LYS 15 HZ1 LYS 15 -6.292 1.308 -18.046 124 HZ2 LYS 15 HZ2 LYS 15 -6.344 1.339 -16.357 125 HZ3 LYS 15 HZ3 LYS 15 -5.932 2.741 -17.205 126 H LEU 16 HN LEU 16 -7.071 -3.103 -20.162 127 HA LEU 16 HA LEU 16 -5.849 -1.519 -22.136 128 HB2 LEU 16 HB1 LEU 16 -5.406 -4.410 -21.225 129 HB3 LEU 16 HB2 LEU 16 -4.319 -3.576 -22.379 130 HG LEU 16 HG LEU 16 -4.893 -2.507 -19.558 131 HD11 LEU 16 HD11 LEU 16 -3.904 -4.781 -19.392 132 HD12 LEU 16 HD12 LEU 16 -2.730 -3.524 -18.869 133 HD13 LEU 16 HD13 LEU 16 -2.562 -4.293 -20.493 134 HD21 LEU 16 HD21 LEU 16 -2.753 -1.247 -19.919 135 HD22 LEU 16 HD22 LEU 16 -3.988 -0.802 -21.160 136 HD23 LEU 16 HD23 LEU 16 -2.640 -1.920 -21.584 137 H PHE 17 HN PHE 17 -7.740 -4.578 -22.439 138 HA PHE 17 HA PHE 17 -7.552 -4.706 -25.244 139 HB2 PHE 17 HB1 PHE 17 -8.278 -6.575 -23.680 140 HB3 PHE 17 HB2 PHE 17 -9.829 -5.706 -23.409 141 HD1 PHE 17 HD1 PHE 17 -11.608 -6.010 -24.952 142 HD2 PHE 17 HD2 PHE 17 -7.641 -7.220 -26.073 143 HE1 PHE 17 HE1 PHE 17 -12.516 -7.117 -26.975 144 HE2 PHE 17 HE2 PHE 17 -8.550 -8.327 -28.094 145 HZ PHE 17 HZ PHE 17 -10.987 -8.282 -28.543 146 H CYS 18 HN CYS 18 -10.082 -3.109 -23.183 147 HA CYS 18 HA CYS 18 -11.651 -2.439 -25.381 148 HB2 CYS 18 HB1 CYS 18 -13.113 -1.258 -24.028 149 HB3 CYS 18 HB2 CYS 18 -12.477 -2.590 -23.027 150 H LEU 19 HN LEU 19 -9.042 -0.363 -23.928 151 HA LEU 19 HA LEU 19 -9.867 1.753 -25.665 152 HB2 LEU 19 HB1 LEU 19 -8.381 3.181 -24.910 153 HB3 LEU 19 HB2 LEU 19 -8.666 2.156 -23.476 154 HG LEU 19 HG LEU 19 -6.240 1.901 -25.373 155 HD11 LEU 19 HD11 LEU 19 -6.474 3.440 -22.713 156 HD12 LEU 19 HD12 LEU 19 -6.287 4.163 -24.358 157 HD13 LEU 19 HD13 LEU 19 -4.962 3.165 -23.661 158 HD21 LEU 19 HD21 LEU 19 -5.191 0.669 -23.495 159 HD22 LEU 19 HD22 LEU 19 -6.734 -0.128 -23.974 160 HD23 LEU 19 HD23 LEU 19 -6.677 0.886 -22.488 161 H VAL 20 HN VAL 20 -7.308 -0.751 -26.080 162 HA VAL 20 HA VAL 20 -6.364 0.379 -28.473 163 HB VAL 20 HB VAL 20 -5.107 -1.187 -27.012 164 HG11 VAL 20 HG11 VAL 20 -6.905 -2.960 -26.752 165 HG12 VAL 20 HG12 VAL 20 -6.699 -3.387 -28.499 166 HG13 VAL 20 HG13 VAL 20 -5.338 -3.612 -27.350 167 HG21 VAL 20 HG21 VAL 20 -4.362 -0.491 -29.305 168 HG22 VAL 20 HG22 VAL 20 -3.881 -2.186 -28.934 169 HG23 VAL 20 HG23 VAL 20 -5.272 -1.868 -30.026 170 H THR 21 HN THR 21 -9.016 -1.937 -27.912 171 HA THR 21 HA THR 21 -9.446 -2.208 -30.788 172 HB THR 21 HB THR 21 -11.386 -3.614 -30.200 173 HG1 THR 21 HG1 THR 21 -10.549 -3.444 -27.528 174 HG21 THR 21 HG21 THR 21 -8.846 -4.339 -28.584 175 HG22 THR 21 HG22 THR 21 -9.081 -4.616 -30.349 176 HG23 THR 21 HG23 THR 21 -10.128 -5.463 -29.154 177 H LYS 22 HN LYS 22 -9.847 0.333 -29.003 178 HA LYS 22 HA LYS 22 -11.183 1.998 -28.678 179 HB2 LYS 22 HB1 LYS 22 -10.376 1.964 -31.178 180 HB3 LYS 22 HB2 LYS 22 -12.117 1.941 -31.549 181 HG2 LYS 22 HG1 LYS 22 -10.621 3.973 -29.755 182 HG3 LYS 22 HG2 LYS 22 -11.008 4.234 -31.483 183 HD2 LYS 22 HD1 LYS 22 -13.416 4.197 -31.066 184 HD3 LYS 22 HD2 LYS 22 -13.197 3.810 -29.341 185 HE2 LYS 22 HE1 LYS 22 -12.244 6.436 -30.666 186 HE3 LYS 22 HE2 LYS 22 -13.772 6.222 -29.717 187 HZ1 LYS 22 HZ1 LYS 22 -12.415 5.499 -27.836 188 HZ2 LYS 22 HZ2 LYS 22 -12.019 7.073 -28.329 189 HZ3 LYS 22 HZ3 LYS 22 -11.006 5.767 -28.726 190 H LYS 23 HN LYS 23 -12.450 0.124 -27.451 191 HA LYS 23 HA LYS 23 -15.314 0.666 -27.994 192 HB2 LYS 23 HB1 LYS 23 -13.993 -1.373 -26.130 193 HB3 LYS 23 HB2 LYS 23 -15.750 -1.238 -26.449 194 HG2 LYS 23 HG1 LYS 23 -13.612 -2.026 -28.569 195 HG3 LYS 23 HG2 LYS 23 -14.497 -3.151 -27.529 196 HD2 LYS 23 HD1 LYS 23 -15.697 -3.302 -29.500 197 HD3 LYS 23 HD2 LYS 23 -16.701 -2.274 -28.450 198 HE2 LYS 23 HE1 LYS 23 -16.769 -1.448 -30.767 199 HE3 LYS 23 HE2 LYS 23 -15.933 -0.223 -29.752 200 HZ1 LYS 23 HZ1 LYS 23 -14.726 -0.511 -31.742 201 HZ2 LYS 23 HZ2 LYS 23 -14.672 -2.204 -31.600 202 HZ3 LYS 23 HZ3 LYS 23 -13.796 -1.225 -30.554 203 H CYS 24 HN CYS 24 -12.597 1.477 -25.974 204 HA CYS 24 HA CYS 24 -14.309 2.817 -24.035 205 HB2 CYS 24 HB1 CYS 24 -11.294 3.056 -24.507 206 HB3 CYS 24 HB2 CYS 24 -12.199 3.879 -23.194 Start of MODEL 15 1 H1 PHE 1 HN PHE 1 4.830 -1.561 -0.987 2 HA PHE 1 HA PHE 1 2.723 -0.458 -0.499 3 HB2 PHE 1 HB1 PHE 1 4.832 1.411 -1.794 4 HB3 PHE 1 HB2 PHE 1 3.508 1.955 -0.689 5 HD1 PHE 1 HD1 PHE 1 3.412 0.972 1.658 6 HD2 PHE 1 HD2 PHE 1 6.856 0.574 -0.882 7 HE1 PHE 1 HE1 PHE 1 4.811 0.457 3.634 8 HE2 PHE 1 HE2 PHE 1 8.254 0.057 1.099 9 HZ PHE 1 HZ PHE 1 7.230 -0.003 3.356 10 H LEU 2 HN LEU 2 3.950 0.191 -3.793 11 HA LEU 2 HA LEU 2 1.160 0.789 -4.622 12 HB2 LEU 2 HB1 LEU 2 2.682 2.697 -4.899 13 HB3 LEU 2 HB2 LEU 2 3.804 1.685 -5.852 14 HG LEU 2 HG LEU 2 2.045 1.398 -7.618 15 HD11 LEU 2 HD11 LEU 2 -0.046 1.676 -6.277 16 HD12 LEU 2 HD12 LEU 2 0.018 2.899 -7.598 17 HD13 LEU 2 HD13 LEU 2 0.408 3.382 -5.908 18 HD21 LEU 2 HD21 LEU 2 2.171 3.719 -8.514 19 HD22 LEU 2 HD22 LEU 2 3.741 3.214 -7.781 20 HD23 LEU 2 HD23 LEU 2 2.645 4.329 -6.885 21 HA PRO 3 HA PRO 3 2.452 -3.037 -6.736 22 HB2 PRO 3 HB1 PRO 3 0.194 -4.559 -6.484 23 HB3 PRO 3 HB2 PRO 3 1.131 -4.059 -5.028 24 HG2 PRO 3 HG1 PRO 3 -1.351 -2.651 -6.174 25 HG3 PRO 3 HG2 PRO 3 -1.103 -3.263 -4.482 26 HD2 PRO 3 HD1 PRO 3 -0.557 -0.633 -5.152 27 HD3 PRO 3 HD2 PRO 3 0.503 -1.559 -4.002 28 H ILE 4 HN ILE 4 2.289 -1.071 -8.419 29 HA ILE 4 HA ILE 4 0.057 -0.767 -10.007 30 HB ILE 4 HB ILE 4 1.760 0.900 -9.795 31 HG12 ILE 4 HG11 ILE 4 1.465 0.081 -12.745 32 HG13 ILE 4 HG12 ILE 4 0.169 0.832 -11.762 33 HG21 ILE 4 HG21 ILE 4 3.942 0.774 -10.912 34 HG22 ILE 4 HG22 ILE 4 3.792 -0.619 -9.801 35 HG23 ILE 4 HG23 ILE 4 3.578 -0.847 -11.585 36 HD11 ILE 4 HD1 ILE 4 1.657 2.839 -11.345 37 HD12 ILE 4 HD2 ILE 4 2.913 2.107 -12.408 38 HD13 ILE 4 HD3 ILE 4 1.318 2.573 -13.094 39 H LEU 5 HN LEU 5 2.845 -2.934 -10.746 40 HA LEU 5 HA LEU 5 1.880 -3.738 -13.256 41 HB2 LEU 5 HB1 LEU 5 3.592 -5.329 -11.259 42 HB3 LEU 5 HB2 LEU 5 3.438 -5.667 -13.011 43 HG LEU 5 HG LEU 5 4.671 -3.129 -11.774 44 HD11 LEU 5 HD11 LEU 5 6.824 -4.062 -12.592 45 HD12 LEU 5 HD12 LEU 5 5.980 -5.542 -13.174 46 HD13 LEU 5 HD13 LEU 5 6.047 -5.178 -11.409 47 HD21 LEU 5 HD21 LEU 5 4.490 -4.043 -14.719 48 HD22 LEU 5 HD22 LEU 5 5.465 -2.658 -14.110 49 HD23 LEU 5 HD23 LEU 5 3.672 -2.602 -13.999 50 H ALA 6 HN ALA 6 1.297 -5.177 -10.022 51 HA ALA 6 HA ALA 6 -0.293 -7.327 -10.931 52 HB1 ALA 6 HB1 ALA 6 0.808 -7.254 -8.679 53 HB2 ALA 6 HB2 ALA 6 -0.239 -5.862 -8.219 54 HB3 ALA 6 HB3 ALA 6 -0.967 -7.485 -8.522 55 H SER 7 HN SER 7 -1.128 -4.015 -9.853 56 HA SER 7 HA SER 7 -3.913 -4.246 -10.121 57 HB2 SER 7 HB1 SER 7 -2.634 -2.369 -8.973 58 HB3 SER 7 HB2 SER 7 -2.242 -1.712 -10.596 59 HG SER 7 HG1 SER 7 -4.129 -0.786 -9.601 60 H LEU 8 HN LEU 8 -1.468 -3.208 -12.597 61 HA LEU 8 HA LEU 8 -3.324 -2.813 -14.655 62 HB2 LEU 8 HB1 LEU 8 -0.370 -3.245 -14.388 63 HB3 LEU 8 HB2 LEU 8 -1.027 -3.674 -15.988 64 HG LEU 8 HG LEU 8 -0.105 -1.372 -15.825 65 HD11 LEU 8 HD11 LEU 8 -1.719 -2.049 -17.605 66 HD12 LEU 8 HD12 LEU 8 -1.862 -0.304 -17.176 67 HD13 LEU 8 HD13 LEU 8 -3.089 -1.479 -16.576 68 HD21 LEU 8 HD21 LEU 8 -2.605 -0.679 -14.151 69 HD22 LEU 8 HD22 LEU 8 -1.391 0.472 -14.814 70 HD23 LEU 8 HD23 LEU 8 -0.903 -0.711 -13.548 71 H ALA 9 HN ALA 9 -1.475 -5.850 -13.864 72 HA ALA 9 HA ALA 9 -2.660 -7.329 -15.934 73 HB1 ALA 9 HB1 ALA 9 -1.728 -9.299 -14.692 74 HB2 ALA 9 HB2 ALA 9 -0.544 -7.944 -14.755 75 HB3 ALA 9 HB3 ALA 9 -1.470 -8.247 -13.245 76 H ALA 10 HN ALA 10 -3.637 -7.160 -12.449 77 HA ALA 10 HA ALA 10 -5.786 -9.046 -13.025 78 HB1 ALA 10 HB1 ALA 10 -5.884 -9.256 -10.552 79 HB2 ALA 10 HB2 ALA 10 -4.194 -9.436 -11.141 80 HB3 ALA 10 HB3 ALA 10 -4.711 -7.887 -10.388 81 H LYS 11 HN LYS 11 -5.632 -5.678 -13.089 82 HA LYS 11 HA LYS 11 -8.543 -5.600 -12.672 83 HB2 LYS 11 HB1 LYS 11 -6.943 -5.020 -10.564 84 HB3 LYS 11 HB2 LYS 11 -6.790 -3.457 -11.380 85 HG2 LYS 11 HG1 LYS 11 -8.540 -3.264 -9.702 86 HG3 LYS 11 HG2 LYS 11 -9.307 -3.197 -11.309 87 HD2 LYS 11 HD1 LYS 11 -10.680 -4.563 -9.787 88 HD3 LYS 11 HD2 LYS 11 -10.065 -5.536 -11.141 89 HE2 LYS 11 HE1 LYS 11 -9.995 -6.865 -9.079 90 HE3 LYS 11 HE2 LYS 11 -8.312 -6.574 -9.654 91 HZ1 LYS 11 HZ1 LYS 11 -9.715 -5.064 -7.502 92 HZ2 LYS 11 HZ2 LYS 11 -8.142 -4.769 -8.068 93 HZ3 LYS 11 HZ3 LYS 11 -8.508 -6.237 -7.299 94 H PHE 12 HN PHE 12 -5.929 -4.671 -14.685 95 HA PHE 12 HA PHE 12 -7.862 -2.871 -16.029 96 HB2 PHE 12 HB1 PHE 12 -4.791 -2.853 -16.139 97 HB3 PHE 12 HB2 PHE 12 -5.800 -2.081 -17.386 98 HD1 PHE 12 HD1 PHE 12 -5.663 0.183 -17.270 99 HD2 PHE 12 HD2 PHE 12 -5.773 -2.016 -13.581 100 HE1 PHE 12 HE1 PHE 12 -5.441 2.292 -15.999 101 HE2 PHE 12 HE2 PHE 12 -5.593 0.072 -12.321 102 HZ PHE 12 HZ PHE 12 -5.405 2.244 -13.515 103 H GLY 13 HN GLY 13 -6.768 -6.070 -16.151 104 HA2 GLY 13 HA1 GLY 13 -5.881 -6.543 -18.609 105 HA3 GLY 13 HA2 GLY 13 -7.038 -7.622 -17.786 106 HA PRO 14 HA PRO 14 -9.650 -6.778 -21.231 107 HB2 PRO 14 HB1 PRO 14 -12.280 -6.526 -20.309 108 HB3 PRO 14 HB2 PRO 14 -11.341 -8.058 -20.182 109 HG2 PRO 14 HG1 PRO 14 -11.672 -5.908 -18.016 110 HG3 PRO 14 HG2 PRO 14 -11.939 -7.694 -17.864 111 HD2 PRO 14 HD1 PRO 14 -9.550 -6.549 -17.101 112 HD3 PRO 14 HD2 PRO 14 -9.564 -8.142 -17.985 113 H LYS 15 HN LYS 15 -9.752 -4.367 -18.777 114 HA LYS 15 HA LYS 15 -11.053 -2.238 -20.127 115 HB2 LYS 15 HB1 LYS 15 -10.759 -2.412 -17.680 116 HB3 LYS 15 HB2 LYS 15 -8.987 -2.455 -17.879 117 HG2 LYS 15 HG1 LYS 15 -9.043 -0.056 -18.692 118 HG3 LYS 15 HG2 LYS 15 -10.801 -0.013 -18.307 119 HD2 LYS 15 HD1 LYS 15 -10.279 -0.718 -15.942 120 HD3 LYS 15 HD2 LYS 15 -8.544 -0.829 -16.369 121 HE2 LYS 15 HE1 LYS 15 -8.521 1.685 -16.812 122 HE3 LYS 15 HE2 LYS 15 -10.223 1.759 -16.191 123 HZ1 LYS 15 HZ1 LYS 15 -7.800 0.804 -14.741 124 HZ2 LYS 15 HZ2 LYS 15 -9.372 0.670 -14.143 125 HZ3 LYS 15 HZ3 LYS 15 -8.693 2.204 -14.417 126 H LEU 16 HN LEU 16 -7.634 -3.281 -19.970 127 HA LEU 16 HA LEU 16 -6.478 -1.289 -21.523 128 HB2 LEU 16 HB1 LEU 16 -5.402 -3.002 -20.016 129 HB3 LEU 16 HB2 LEU 16 -5.648 -4.241 -21.270 130 HG LEU 16 HG LEU 16 -4.096 -1.632 -21.800 131 HD11 LEU 16 HD11 LEU 16 -2.004 -2.840 -21.174 132 HD12 LEU 16 HD12 LEU 16 -2.976 -4.264 -20.651 133 HD13 LEU 16 HD13 LEU 16 -3.122 -2.699 -19.766 134 HD21 LEU 16 HD21 LEU 16 -2.831 -3.073 -23.449 135 HD22 LEU 16 HD22 LEU 16 -4.571 -2.952 -23.867 136 HD23 LEU 16 HD23 LEU 16 -3.934 -4.444 -23.076 137 H PHE 17 HN PHE 17 -7.915 -4.444 -22.518 138 HA PHE 17 HA PHE 17 -7.438 -4.169 -25.258 139 HB2 PHE 17 HB1 PHE 17 -8.080 -6.310 -24.113 140 HB3 PHE 17 HB2 PHE 17 -9.706 -5.628 -23.759 141 HD1 PHE 17 HD1 PHE 17 -11.076 -7.113 -24.886 142 HD2 PHE 17 HD2 PHE 17 -7.739 -5.438 -27.029 143 HE1 PHE 17 HE1 PHE 17 -11.896 -8.142 -26.983 144 HE2 PHE 17 HE2 PHE 17 -8.580 -6.441 -29.113 145 HZ PHE 17 HZ PHE 17 -10.646 -7.803 -29.101 146 H CYS 18 HN CYS 18 -10.302 -3.122 -23.321 147 HA CYS 18 HA CYS 18 -11.678 -1.989 -25.488 148 HB2 CYS 18 HB1 CYS 18 -11.716 -1.168 -22.536 149 HB3 CYS 18 HB2 CYS 18 -12.913 -0.639 -23.768 150 H LEU 19 HN LEU 19 -9.329 -0.328 -23.273 151 HA LEU 19 HA LEU 19 -9.707 2.119 -24.650 152 HB2 LEU 19 HB1 LEU 19 -8.111 3.146 -23.253 153 HB3 LEU 19 HB2 LEU 19 -9.121 2.029 -22.297 154 HG LEU 19 HG LEU 19 -7.075 0.341 -22.735 155 HD11 LEU 19 HD11 LEU 19 -4.875 1.521 -22.568 156 HD12 LEU 19 HD12 LEU 19 -5.697 3.112 -22.757 157 HD13 LEU 19 HD13 LEU 19 -5.681 1.934 -24.120 158 HD21 LEU 19 HD21 LEU 19 -6.166 1.036 -20.516 159 HD22 LEU 19 HD22 LEU 19 -7.971 1.050 -20.525 160 HD23 LEU 19 HD23 LEU 19 -7.053 2.604 -20.637 161 H VAL 20 HN VAL 20 -7.190 -0.440 -25.138 162 HA VAL 20 HA VAL 20 -5.583 1.215 -26.695 163 HB VAL 20 HB VAL 20 -4.848 -0.871 -25.638 164 HG11 VAL 20 HG11 VAL 20 -5.108 -3.024 -26.761 165 HG12 VAL 20 HG12 VAL 20 -6.752 -2.367 -26.435 166 HG13 VAL 20 HG13 VAL 20 -6.053 -2.298 -28.102 167 HG21 VAL 20 HG21 VAL 20 -3.208 -1.384 -27.439 168 HG22 VAL 20 HG22 VAL 20 -4.239 -0.560 -28.658 169 HG23 VAL 20 HG23 VAL 20 -3.484 0.391 -27.324 170 H THR 21 HN THR 21 -8.200 -1.021 -27.868 171 HA THR 21 HA THR 21 -7.899 -0.026 -30.540 172 HB THR 21 HB THR 21 -9.924 -1.251 -31.103 173 HG1 THR 21 HG1 THR 21 -10.681 -2.602 -29.365 174 HG21 THR 21 HG21 THR 21 -9.055 -3.507 -30.580 175 HG22 THR 21 HG22 THR 21 -8.060 -2.873 -29.227 176 HG23 THR 21 HG23 THR 21 -7.664 -2.421 -30.930 177 H LYS 22 HN LYS 22 -10.110 0.738 -27.856 178 HA LYS 22 HA LYS 22 -11.488 2.424 -27.466 179 HB2 LYS 22 HB1 LYS 22 -10.532 3.668 -30.019 180 HB3 LYS 22 HB2 LYS 22 -12.241 3.913 -29.693 181 HG2 LYS 22 HG1 LYS 22 -11.103 5.782 -28.841 182 HG3 LYS 22 HG2 LYS 22 -11.817 4.871 -27.489 183 HD2 LYS 22 HD1 LYS 22 -9.668 5.804 -26.891 184 HD3 LYS 22 HD2 LYS 22 -9.586 4.032 -26.808 185 HE2 LYS 22 HE1 LYS 22 -8.566 5.623 -29.282 186 HE3 LYS 22 HE2 LYS 22 -7.558 5.410 -27.795 187 HZ1 LYS 22 HZ1 LYS 22 -8.666 3.208 -29.466 188 HZ2 LYS 22 HZ2 LYS 22 -7.854 3.032 -28.005 189 HZ3 LYS 22 HZ3 LYS 22 -7.044 3.648 -29.336 190 H LYS 23 HN LYS 23 -11.881 -0.327 -28.554 191 HA LYS 23 HA LYS 23 -14.746 -0.103 -28.468 192 HB2 LYS 23 HB1 LYS 23 -13.599 0.123 -31.001 193 HB3 LYS 23 HB2 LYS 23 -13.925 -1.614 -30.965 194 HG2 LYS 23 HG1 LYS 23 -16.284 -1.314 -30.667 195 HG3 LYS 23 HG2 LYS 23 -16.117 0.360 -30.095 196 HD2 LYS 23 HD1 LYS 23 -15.692 -0.651 -32.979 197 HD3 LYS 23 HD2 LYS 23 -17.073 0.297 -32.372 198 HE2 LYS 23 HE1 LYS 23 -14.165 1.243 -32.811 199 HE3 LYS 23 HE2 LYS 23 -15.677 1.851 -33.585 200 HZ1 LYS 23 HZ1 LYS 23 -16.368 2.565 -31.313 201 HZ2 LYS 23 HZ2 LYS 23 -14.998 3.374 -31.913 202 HZ3 LYS 23 HZ3 LYS 23 -14.826 2.166 -30.746 203 H CYS 24 HN CYS 24 -12.096 -1.833 -27.578 204 HA CYS 24 HA CYS 24 -11.604 -3.863 -26.965 205 HB2 CYS 24 HB1 CYS 24 -14.563 -4.624 -27.080 206 HB3 CYS 24 HB2 CYS 24 -13.246 -5.638 -26.413 Start of MODEL 16 1 H1 PHE 1 HN PHE 1 3.256 2.655 -7.374 2 HA PHE 1 HA PHE 1 4.914 1.768 -5.454 3 HB2 PHE 1 HB1 PHE 1 4.553 4.106 -4.439 4 HB3 PHE 1 HB2 PHE 1 2.811 3.709 -4.266 5 HD1 PHE 1 HD1 PHE 1 2.346 3.372 -2.013 6 HD2 PHE 1 HD2 PHE 1 6.073 1.857 -3.532 7 HE1 PHE 1 HE1 PHE 1 2.833 2.352 0.188 8 HE2 PHE 1 HE2 PHE 1 6.548 0.833 -1.336 9 HZ PHE 1 HZ PHE 1 4.930 1.073 0.526 10 H LEU 2 HN LEU 2 3.105 0.735 -3.597 11 HA LEU 2 HA LEU 2 1.825 -1.045 -3.351 12 HB2 LEU 2 HB1 LEU 2 0.206 0.684 -5.195 13 HB3 LEU 2 HB2 LEU 2 -0.335 -1.002 -5.089 14 HG LEU 2 HG LEU 2 -0.478 -0.810 -2.588 15 HD11 LEU 2 HD11 LEU 2 0.102 2.178 -3.092 16 HD12 LEU 2 HD12 LEU 2 1.100 1.035 -2.112 17 HD13 LEU 2 HD13 LEU 2 -0.548 1.488 -1.560 18 HD21 LEU 2 HD21 LEU 2 -2.106 1.265 -4.186 19 HD22 LEU 2 HD22 LEU 2 -2.565 0.548 -2.599 20 HD23 LEU 2 HD23 LEU 2 -2.470 -0.500 -4.063 21 HA PRO 3 HA PRO 3 2.831 -4.104 -6.487 22 HB2 PRO 3 HB1 PRO 3 0.797 -5.992 -6.542 23 HB3 PRO 3 HB2 PRO 3 1.938 -5.794 -5.162 24 HG2 PRO 3 HG1 PRO 3 -0.855 -4.549 -5.424 25 HG3 PRO 3 HG2 PRO 3 -0.211 -5.553 -4.055 26 HD2 PRO 3 HD1 PRO 3 -0.151 -2.833 -3.910 27 HD3 PRO 3 HD2 PRO 3 1.316 -3.774 -3.387 28 H ILE 4 HN ILE 4 2.467 -2.071 -7.850 29 HA ILE 4 HA ILE 4 0.247 -1.620 -9.363 30 HB ILE 4 HB ILE 4 1.980 -0.009 -8.968 31 HG12 ILE 4 HG11 ILE 4 1.607 -0.434 -11.992 32 HG13 ILE 4 HG12 ILE 4 0.341 0.195 -10.889 33 HG21 ILE 4 HG21 ILE 4 3.990 -1.523 -9.217 34 HG22 ILE 4 HG22 ILE 4 3.732 -1.532 -11.012 35 HG23 ILE 4 HG23 ILE 4 4.130 -0.007 -10.154 36 HD11 ILE 4 HD1 ILE 4 1.479 2.088 -12.008 37 HD12 ILE 4 HD2 ILE 4 1.863 2.114 -10.247 38 HD13 ILE 4 HD3 ILE 4 3.084 1.520 -11.430 39 H LEU 5 HN LEU 5 2.990 -3.726 -10.337 40 HA LEU 5 HA LEU 5 2.072 -4.243 -12.930 41 HB2 LEU 5 HB1 LEU 5 3.657 -6.096 -11.059 42 HB3 LEU 5 HB2 LEU 5 3.551 -6.246 -12.841 43 HG LEU 5 HG LEU 5 4.829 -3.897 -11.312 44 HD11 LEU 5 HD11 LEU 5 6.976 -4.823 -12.151 45 HD12 LEU 5 HD12 LEU 5 6.102 -6.205 -12.908 46 HD13 LEU 5 HD13 LEU 5 6.120 -6.023 -11.114 47 HD21 LEU 5 HD21 LEU 5 3.928 -3.112 -13.501 48 HD22 LEU 5 HD22 LEU 5 4.721 -4.502 -14.338 49 HD23 LEU 5 HD23 LEU 5 5.721 -3.224 -13.560 50 H ALA 6 HN ALA 6 1.293 -5.966 -9.877 51 HA ALA 6 HA ALA 6 -0.339 -7.945 -11.078 52 HB1 ALA 6 HB1 ALA 6 -1.126 -8.340 -8.741 53 HB2 ALA 6 HB2 ALA 6 0.661 -8.155 -8.780 54 HB3 ALA 6 HB3 ALA 6 -0.372 -6.787 -8.222 55 H SER 7 HN SER 7 -1.053 -4.720 -9.712 56 HA SER 7 HA SER 7 -3.841 -4.774 -10.109 57 HB2 SER 7 HB1 SER 7 -2.512 -3.081 -8.735 58 HB3 SER 7 HB2 SER 7 -2.038 -2.292 -10.275 59 HG SER 7 HG1 SER 7 -3.899 -1.352 -9.305 60 H LEU 8 HN LEU 8 -1.229 -3.646 -12.352 61 HA LEU 8 HA LEU 8 -2.937 -2.959 -14.455 62 HB2 LEU 8 HB1 LEU 8 -0.033 -3.565 -14.068 63 HB3 LEU 8 HB2 LEU 8 -0.607 -3.830 -15.734 64 HG LEU 8 HG LEU 8 0.396 -1.592 -15.325 65 HD11 LEU 8 HD11 LEU 8 -1.251 -0.334 -16.665 66 HD12 LEU 8 HD12 LEU 8 -2.541 -1.523 -16.251 67 HD13 LEU 8 HD13 LEU 8 -1.125 -2.035 -17.246 68 HD21 LEU 8 HD21 LEU 8 -0.517 -1.107 -13.041 69 HD22 LEU 8 HD22 LEU 8 -2.170 -0.922 -13.744 70 HD23 LEU 8 HD23 LEU 8 -0.856 0.213 -14.219 71 H ALA 9 HN ALA 9 -1.313 -6.164 -13.858 72 HA ALA 9 HA ALA 9 -2.466 -7.363 -16.121 73 HB1 ALA 9 HB1 ALA 9 -1.715 -9.496 -15.037 74 HB2 ALA 9 HB2 ALA 9 -0.454 -8.217 -14.909 75 HB3 ALA 9 HB3 ALA 9 -1.476 -8.605 -13.482 76 H ALA 10 HN ALA 10 -3.623 -7.481 -12.683 77 HA ALA 10 HA ALA 10 -5.817 -9.192 -13.573 78 HB1 ALA 10 HB1 ALA 10 -4.822 -8.387 -10.778 79 HB2 ALA 10 HB2 ALA 10 -6.047 -9.668 -11.144 80 HB3 ALA 10 HB3 ALA 10 -4.340 -9.868 -11.678 81 H LYS 11 HN LYS 11 -5.484 -5.838 -13.079 82 HA LYS 11 HA LYS 11 -8.417 -5.640 -12.694 83 HB2 LYS 11 HB1 LYS 11 -6.355 -4.890 -10.838 84 HB3 LYS 11 HB2 LYS 11 -6.958 -3.364 -11.508 85 HG2 LYS 11 HG1 LYS 11 -8.159 -3.874 -9.475 86 HG3 LYS 11 HG2 LYS 11 -9.312 -4.031 -10.844 87 HD2 LYS 11 HD1 LYS 11 -9.141 -6.479 -10.810 88 HD3 LYS 11 HD2 LYS 11 -7.829 -6.454 -9.613 89 HE2 LYS 11 HE1 LYS 11 -10.734 -5.477 -9.088 90 HE3 LYS 11 HE2 LYS 11 -10.121 -7.137 -8.713 91 HZ1 LYS 11 HZ1 LYS 11 -10.040 -5.693 -6.790 92 HZ2 LYS 11 HZ2 LYS 11 -9.027 -4.599 -7.605 93 HZ3 LYS 11 HZ3 LYS 11 -8.482 -6.166 -7.259 94 H PHE 12 HN PHE 12 -5.578 -4.438 -14.467 95 HA PHE 12 HA PHE 12 -7.441 -2.615 -15.875 96 HB2 PHE 12 HB1 PHE 12 -4.379 -2.792 -15.920 97 HB3 PHE 12 HB2 PHE 12 -5.318 -1.886 -17.132 98 HD1 PHE 12 HD1 PHE 12 -4.694 0.301 -16.841 99 HD2 PHE 12 HD2 PHE 12 -5.681 -1.998 -13.342 100 HE1 PHE 12 HE1 PHE 12 -4.369 2.301 -15.424 101 HE2 PHE 12 HE2 PHE 12 -5.415 -0.007 -11.955 102 HZ PHE 12 HZ PHE 12 -4.742 2.154 -12.971 103 H GLY 13 HN GLY 13 -6.340 -5.849 -16.154 104 HA2 GLY 13 HA1 GLY 13 -5.621 -6.219 -18.695 105 HA3 GLY 13 HA2 GLY 13 -6.707 -7.335 -17.823 106 HA PRO 14 HA PRO 14 -9.637 -6.409 -20.953 107 HB2 PRO 14 HB1 PRO 14 -12.151 -6.017 -19.777 108 HB3 PRO 14 HB2 PRO 14 -11.278 -7.594 -19.735 109 HG2 PRO 14 HG1 PRO 14 -11.281 -5.425 -17.562 110 HG3 PRO 14 HG2 PRO 14 -11.620 -7.195 -17.370 111 HD2 PRO 14 HD1 PRO 14 -9.120 -6.168 -16.860 112 HD3 PRO 14 HD2 PRO 14 -9.290 -7.758 -17.733 113 H LYS 15 HN LYS 15 -9.385 -3.928 -18.551 114 HA LYS 15 HA LYS 15 -10.664 -1.781 -19.923 115 HB2 LYS 15 HB1 LYS 15 -10.267 -1.774 -17.499 116 HB3 LYS 15 HB2 LYS 15 -8.517 -2.002 -17.754 117 HG2 LYS 15 HG1 LYS 15 -8.374 0.300 -18.785 118 HG3 LYS 15 HG2 LYS 15 -10.105 0.554 -18.377 119 HD2 LYS 15 HD1 LYS 15 -9.599 0.123 -15.964 120 HD3 LYS 15 HD2 LYS 15 -7.902 -0.276 -16.381 121 HE2 LYS 15 HE1 LYS 15 -7.533 2.109 -17.160 122 HE3 LYS 15 HE2 LYS 15 -9.218 2.515 -16.633 123 HZ1 LYS 15 HZ1 LYS 15 -8.601 1.755 -14.398 124 HZ2 LYS 15 HZ2 LYS 15 -7.620 3.039 -14.920 125 HZ3 LYS 15 HZ3 LYS 15 -7.020 1.455 -14.916 126 H LEU 16 HN LEU 16 -7.291 -2.989 -19.856 127 HA LEU 16 HA LEU 16 -6.127 -1.128 -21.565 128 HB2 LEU 16 HB1 LEU 16 -5.060 -2.794 -19.987 129 HB3 LEU 16 HB2 LEU 16 -5.392 -4.091 -21.160 130 HG LEU 16 HG LEU 16 -3.745 -1.584 -21.866 131 HD11 LEU 16 HD11 LEU 16 -1.694 -2.878 -21.268 132 HD12 LEU 16 HD12 LEU 16 -2.716 -4.232 -20.658 133 HD13 LEU 16 HD13 LEU 16 -2.746 -2.631 -19.823 134 HD21 LEU 16 HD21 LEU 16 -4.355 -2.949 -23.863 135 HD22 LEU 16 HD22 LEU 16 -3.781 -4.446 -23.035 136 HD23 LEU 16 HD23 LEU 16 -2.612 -3.158 -23.498 137 H PHE 17 HN PHE 17 -7.650 -4.318 -22.321 138 HA PHE 17 HA PHE 17 -7.356 -4.118 -25.104 139 HB2 PHE 17 HB1 PHE 17 -7.982 -6.216 -23.817 140 HB3 PHE 17 HB2 PHE 17 -9.612 -5.513 -23.515 141 HD1 PHE 17 HD1 PHE 17 -11.289 -5.651 -25.212 142 HD2 PHE 17 HD2 PHE 17 -7.212 -6.561 -26.210 143 HE1 PHE 17 HE1 PHE 17 -12.016 -6.473 -27.438 144 HE2 PHE 17 HE2 PHE 17 -7.938 -7.388 -28.429 145 HZ PHE 17 HZ PHE 17 -10.341 -7.344 -29.043 146 H CYS 18 HN CYS 18 -10.054 -3.012 -22.988 147 HA CYS 18 HA CYS 18 -11.688 -2.145 -25.049 148 HB2 CYS 18 HB1 CYS 18 -12.326 -2.532 -22.627 149 HB3 CYS 18 HB2 CYS 18 -11.534 -0.988 -22.209 150 H LEU 19 HN LEU 19 -9.218 -0.116 -23.292 151 HA LEU 19 HA LEU 19 -10.041 2.088 -24.974 152 HB2 LEU 19 HB1 LEU 19 -9.058 3.549 -23.698 153 HB3 LEU 19 HB2 LEU 19 -9.290 2.258 -22.490 154 HG LEU 19 HG LEU 19 -6.672 2.883 -24.011 155 HD11 LEU 19 HD11 LEU 19 -7.522 3.609 -21.140 156 HD12 LEU 19 HD12 LEU 19 -7.355 4.751 -22.529 157 HD13 LEU 19 HD13 LEU 19 -5.902 3.904 -21.883 158 HD21 LEU 19 HD21 LEU 19 -5.561 1.476 -22.276 159 HD22 LEU 19 HD22 LEU 19 -6.750 0.515 -23.224 160 HD23 LEU 19 HD23 LEU 19 -7.170 1.073 -21.560 161 H VAL 20 HN VAL 20 -7.513 -0.395 -25.341 162 HA VAL 20 HA VAL 20 -6.169 1.199 -27.300 163 HB VAL 20 HB VAL 20 -5.069 -0.642 -26.083 164 HG11 VAL 20 HG11 VAL 20 -6.484 -2.465 -28.150 165 HG12 VAL 20 HG12 VAL 20 -5.208 -2.934 -26.975 166 HG13 VAL 20 HG13 VAL 20 -6.824 -2.422 -26.374 167 HG21 VAL 20 HG21 VAL 20 -4.933 -0.649 -29.176 168 HG22 VAL 20 HG22 VAL 20 -4.112 0.531 -28.082 169 HG23 VAL 20 HG23 VAL 20 -3.649 -1.208 -28.049 170 H THR 21 HN THR 21 -8.792 -1.301 -27.568 171 HA THR 21 HA THR 21 -9.028 -0.965 -30.374 172 HB THR 21 HB THR 21 -11.195 -2.020 -30.304 173 HG1 THR 21 HG1 THR 21 -11.888 -2.781 -28.254 174 HG21 THR 21 HG21 THR 21 -9.202 -3.379 -28.358 175 HG22 THR 21 HG22 THR 21 -9.101 -3.430 -30.156 176 HG23 THR 21 HG23 THR 21 -10.495 -4.185 -29.303 177 H LYS 22 HN LYS 22 -10.612 0.562 -27.625 178 HA LYS 22 HA LYS 22 -11.385 2.588 -27.287 179 HB2 LYS 22 HB1 LYS 22 -11.178 3.229 -30.260 180 HB3 LYS 22 HB2 LYS 22 -11.603 4.391 -28.974 181 HG2 LYS 22 HG1 LYS 22 -9.448 4.342 -27.966 182 HG3 LYS 22 HG2 LYS 22 -8.959 2.849 -28.777 183 HD2 LYS 22 HD1 LYS 22 -9.304 5.603 -30.117 184 HD3 LYS 22 HD2 LYS 22 -7.771 4.804 -29.673 185 HE2 LYS 22 HE1 LYS 22 -9.723 4.029 -31.925 186 HE3 LYS 22 HE2 LYS 22 -7.982 4.494 -32.040 187 HZ1 LYS 22 HZ1 LYS 22 -7.976 2.189 -32.238 188 HZ2 LYS 22 HZ2 LYS 22 -9.215 1.987 -31.111 189 HZ3 LYS 22 HZ3 LYS 22 -7.685 2.347 -30.573 190 H LYS 23 HN LYS 23 -12.754 0.082 -28.151 191 HA LYS 23 HA LYS 23 -15.467 1.147 -28.127 192 HB2 LYS 23 HB1 LYS 23 -14.518 1.128 -30.569 193 HB3 LYS 23 HB2 LYS 23 -14.530 -0.651 -30.453 194 HG2 LYS 23 HG1 LYS 23 -17.043 -0.554 -30.108 195 HG3 LYS 23 HG2 LYS 23 -16.957 1.242 -30.187 196 HD2 LYS 23 HD1 LYS 23 -16.055 1.067 -32.550 197 HD3 LYS 23 HD2 LYS 23 -16.049 -0.710 -32.407 198 HE2 LYS 23 HE1 LYS 23 -17.993 -0.018 -33.755 199 HE3 LYS 23 HE2 LYS 23 -18.554 -0.749 -32.198 200 HZ1 LYS 23 HZ1 LYS 23 -18.292 2.164 -32.775 201 HZ2 LYS 23 HZ2 LYS 23 -18.811 1.477 -31.316 202 HZ3 LYS 23 HZ3 LYS 23 -19.740 1.280 -32.725 203 H CYS 24 HN CYS 24 -13.395 -0.902 -26.778 204 HA CYS 24 HA CYS 24 -13.316 -2.925 -25.937 205 HB2 CYS 24 HB2 CYS 24 -16.364 -2.800 -25.868 206 HB3 CYS 24 HB1 CYS 24 -15.362 -4.026 -25.023 Start of MODEL 17 1 H1 PHE 1 HN PHE 1 5.176 -0.104 0.216 2 HA PHE 1 HA PHE 1 4.452 1.418 -1.907 3 HB2 PHE 1 HB1 PHE 1 6.853 -0.414 -2.555 4 HB3 PHE 1 HB2 PHE 1 5.758 0.224 -3.842 5 HD1 PHE 1 HD1 PHE 1 5.599 2.645 -4.276 6 HD2 PHE 1 HD2 PHE 1 8.446 1.057 -1.481 7 HE1 PHE 1 HE1 PHE 1 6.872 4.771 -4.365 8 HE2 PHE 1 HE2 PHE 1 9.722 3.179 -1.572 9 HZ PHE 1 HZ PHE 1 8.935 5.038 -3.014 10 H LEU 2 HN LEU 2 3.807 -0.393 -3.864 11 HA LEU 2 HA LEU 2 2.610 -2.679 -2.474 12 HB2 LEU 2 HB1 LEU 2 1.081 -0.661 -4.259 13 HB3 LEU 2 HB2 LEU 2 0.445 -2.248 -3.725 14 HG LEU 2 HG LEU 2 1.011 -1.230 -1.281 15 HD11 LEU 2 HD11 LEU 2 1.817 1.001 -2.125 16 HD12 LEU 2 HD12 LEU 2 0.307 1.159 -1.165 17 HD13 LEU 2 HD13 LEU 2 0.237 1.250 -2.963 18 HD21 LEU 2 HD21 LEU 2 -1.167 -2.169 -2.034 19 HD22 LEU 2 HD22 LEU 2 -1.534 -0.633 -2.922 20 HD23 LEU 2 HD23 LEU 2 -1.398 -0.633 -1.125 21 HA PRO 3 HA PRO 3 3.811 -4.385 -6.462 22 HB2 PRO 3 HB1 PRO 3 2.184 -6.608 -6.754 23 HB3 PRO 3 HB2 PRO 3 3.450 -6.489 -5.477 24 HG2 PRO 3 HG1 PRO 3 0.467 -5.830 -5.167 25 HG3 PRO 3 HG2 PRO 3 1.465 -6.961 -4.157 26 HD2 PRO 3 HD1 PRO 3 1.050 -4.363 -3.370 27 HD3 PRO 3 HD2 PRO 3 2.693 -5.118 -3.173 28 H ILE 4 HN ILE 4 2.816 -2.214 -7.128 29 HA ILE 4 HA ILE 4 0.272 -1.956 -8.097 30 HB ILE 4 HB ILE 4 1.658 -0.107 -7.461 31 HG12 ILE 4 HG11 ILE 4 0.781 0.193 -10.395 32 HG13 ILE 4 HG12 ILE 4 -0.338 0.160 -8.995 33 HG21 ILE 4 HG21 ILE 4 3.857 -0.918 -8.421 34 HG22 ILE 4 HG22 ILE 4 3.250 -0.516 -10.080 35 HG23 ILE 4 HG23 ILE 4 3.477 0.775 -8.858 36 HD11 ILE 4 HD1 ILE 4 0.838 2.181 -8.018 37 HD12 ILE 4 HD2 ILE 4 1.895 2.249 -9.474 38 HD13 ILE 4 HD3 ILE 4 0.124 2.506 -9.638 39 H LEU 5 HN LEU 5 3.133 -2.905 -10.067 40 HA LEU 5 HA LEU 5 1.782 -2.875 -12.509 41 HB2 LEU 5 HB1 LEU 5 3.693 -4.159 -13.390 42 HB3 LEU 5 HB2 LEU 5 4.174 -2.789 -12.362 43 HG LEU 5 HG LEU 5 4.194 -4.789 -10.462 44 HD11 LEU 5 HD11 LEU 5 3.684 -6.605 -12.165 45 HD12 LEU 5 HD12 LEU 5 5.321 -6.785 -11.433 46 HD13 LEU 5 HD13 LEU 5 5.145 -6.108 -13.089 47 HD21 LEU 5 HD21 LEU 5 6.484 -4.047 -12.384 48 HD22 LEU 5 HD22 LEU 5 6.663 -4.791 -10.755 49 HD23 LEU 5 HD23 LEU 5 5.996 -3.124 -10.913 50 H ALA 6 HN ALA 6 2.079 -5.584 -10.176 51 HA ALA 6 HA ALA 6 0.741 -7.484 -11.786 52 HB1 ALA 6 HB1 ALA 6 1.021 -7.259 -8.719 53 HB2 ALA 6 HB2 ALA 6 0.530 -8.743 -9.621 54 HB3 ALA 6 HB3 ALA 6 2.187 -8.076 -9.823 55 H SER 7 HN SER 7 -0.437 -5.195 -9.290 56 HA SER 7 HA SER 7 -3.142 -6.000 -9.517 57 HB2 SER 7 HB1 SER 7 -2.023 -4.516 -7.655 58 HB3 SER 7 HB2 SER 7 -2.377 -3.141 -8.739 59 HG SER 7 HG1 SER 7 -4.113 -5.013 -7.512 60 H LEU 8 HN LEU 8 -1.300 -3.483 -11.278 61 HA LEU 8 HA LEU 8 -3.377 -2.259 -12.594 62 HB2 LEU 8 HB1 LEU 8 -1.007 -1.487 -12.373 63 HB3 LEU 8 HB2 LEU 8 -0.484 -2.730 -13.539 64 HG LEU 8 HG LEU 8 -0.629 -0.340 -14.337 65 HD11 LEU 8 HD11 LEU 8 -1.438 -0.793 -16.575 66 HD12 LEU 8 HD12 LEU 8 -2.384 -2.216 -16.026 67 HD13 LEU 8 HD13 LEU 8 -0.581 -2.250 -15.951 68 HD21 LEU 8 HD21 LEU 8 -3.679 -0.742 -14.307 69 HD22 LEU 8 HD22 LEU 8 -2.785 0.670 -14.967 70 HD23 LEU 8 HD23 LEU 8 -2.744 0.338 -13.195 71 H ALA 9 HN ALA 9 -1.535 -5.178 -13.651 72 HA ALA 9 HA ALA 9 -2.741 -5.465 -16.136 73 HB1 ALA 9 HB1 ALA 9 -1.742 -7.610 -14.158 74 HB2 ALA 9 HB2 ALA 9 -1.993 -7.859 -15.930 75 HB3 ALA 9 HB3 ALA 9 -0.725 -6.722 -15.345 76 H ALA 10 HN ALA 10 -3.890 -6.784 -12.972 77 HA ALA 10 HA ALA 10 -6.238 -7.957 -14.065 78 HB1 ALA 10 HB1 ALA 10 -5.594 -6.988 -11.210 79 HB2 ALA 10 HB2 ALA 10 -6.951 -8.096 -11.664 80 HB3 ALA 10 HB3 ALA 10 -5.243 -8.623 -11.873 81 H LYS 11 HN LYS 11 -5.667 -4.764 -12.535 82 HA LYS 11 HA LYS 11 -8.354 -3.928 -12.538 83 HB2 LYS 11 HB1 LYS 11 -5.748 -2.326 -12.547 84 HB3 LYS 11 HB2 LYS 11 -7.348 -1.595 -12.196 85 HG2 LYS 11 HG1 LYS 11 -6.265 -3.937 -10.534 86 HG3 LYS 11 HG2 LYS 11 -5.729 -2.253 -10.237 87 HD2 LYS 11 HD1 LYS 11 -8.041 -1.568 -9.697 88 HD3 LYS 11 HD2 LYS 11 -8.681 -3.145 -10.243 89 HE2 LYS 11 HE1 LYS 11 -8.587 -2.972 -7.732 90 HE3 LYS 11 HE2 LYS 11 -7.614 -4.350 -8.382 91 HZ1 LYS 11 HZ1 LYS 11 -5.632 -3.173 -8.022 92 HZ2 LYS 11 HZ2 LYS 11 -6.538 -2.954 -6.623 93 HZ3 LYS 11 HZ3 LYS 11 -6.418 -1.698 -7.756 94 H PHE 12 HN PHE 12 -5.818 -3.479 -15.038 95 HA PHE 12 HA PHE 12 -7.736 -1.923 -16.628 96 HB2 PHE 12 HB1 PHE 12 -4.719 -2.092 -16.459 97 HB3 PHE 12 HB2 PHE 12 -5.394 -1.836 -18.097 98 HD1 PHE 12 HD1 PHE 12 -5.454 0.351 -18.763 99 HD2 PHE 12 HD2 PHE 12 -6.124 -0.522 -14.613 100 HE1 PHE 12 HE1 PHE 12 -5.656 2.771 -18.289 101 HE2 PHE 12 HE2 PHE 12 -6.333 1.893 -14.136 102 HZ PHE 12 HZ PHE 12 -6.087 3.549 -15.970 103 H GLY 13 HN GLY 13 -7.056 -5.192 -16.378 104 HA2 GLY 13 HA1 GLY 13 -6.484 -6.127 -18.819 105 HA3 GLY 13 HA2 GLY 13 -7.649 -6.907 -17.712 106 HA PRO 14 HA PRO 14 -10.592 -6.057 -20.926 107 HB2 PRO 14 HB1 PRO 14 -12.997 -5.339 -19.708 108 HB3 PRO 14 HB2 PRO 14 -12.262 -6.974 -19.521 109 HG2 PRO 14 HG1 PRO 14 -11.989 -4.598 -17.592 110 HG3 PRO 14 HG2 PRO 14 -12.473 -6.300 -17.202 111 HD2 PRO 14 HD1 PRO 14 -9.868 -5.446 -16.891 112 HD3 PRO 14 HD2 PRO 14 -10.223 -7.105 -17.548 113 H LYS 15 HN LYS 15 -9.903 -3.477 -18.759 114 HA LYS 15 HA LYS 15 -11.259 -1.352 -20.032 115 HB2 LYS 15 HB1 LYS 15 -10.289 -1.491 -17.637 116 HB3 LYS 15 HB2 LYS 15 -8.694 -1.156 -18.373 117 HG2 LYS 15 HG1 LYS 15 -9.575 1.030 -19.251 118 HG3 LYS 15 HG2 LYS 15 -11.174 0.666 -18.506 119 HD2 LYS 15 HD1 LYS 15 -10.013 0.519 -16.227 120 HD3 LYS 15 HD2 LYS 15 -8.468 0.874 -17.028 121 HE2 LYS 15 HE1 LYS 15 -9.239 2.920 -15.943 122 HE3 LYS 15 HE2 LYS 15 -9.327 3.151 -17.734 123 HZ1 LYS 15 HZ1 LYS 15 -11.316 3.936 -16.608 124 HZ2 LYS 15 HZ2 LYS 15 -11.591 2.399 -15.944 125 HZ3 LYS 15 HZ3 LYS 15 -11.680 2.622 -17.621 126 H LEU 16 HN LEU 16 -8.009 -2.730 -20.497 127 HA LEU 16 HA LEU 16 -6.940 -0.918 -22.295 128 HB2 LEU 16 HB1 LEU 16 -5.813 -2.784 -21.071 129 HB3 LEU 16 HB2 LEU 16 -6.590 -3.979 -22.131 130 HG LEU 16 HG LEU 16 -4.795 -1.744 -23.251 131 HD11 LEU 16 HD11 LEU 16 -2.855 -3.300 -23.046 132 HD12 LEU 16 HD12 LEU 16 -3.889 -4.482 -22.165 133 HD13 LEU 16 HD13 LEU 16 -3.526 -2.876 -21.427 134 HD21 LEU 16 HD21 LEU 16 -4.259 -3.505 -25.001 135 HD22 LEU 16 HD22 LEU 16 -5.995 -3.051 -25.012 136 HD23 LEU 16 HD23 LEU 16 -5.470 -4.597 -24.243 137 H PHE 17 HN PHE 17 -8.938 -3.850 -22.996 138 HA PHE 17 HA PHE 17 -9.010 -3.418 -25.772 139 HB2 PHE 17 HB1 PHE 17 -10.873 -5.024 -23.925 140 HB3 PHE 17 HB2 PHE 17 -10.924 -5.101 -25.731 141 HD1 PHE 17 HD1 PHE 17 -9.320 -6.371 -22.769 142 HD2 PHE 17 HD2 PHE 17 -8.727 -5.671 -26.965 143 HE1 PHE 17 HE1 PHE 17 -7.422 -7.948 -22.760 144 HE2 PHE 17 HE2 PHE 17 -6.833 -7.263 -26.961 145 HZ PHE 17 HZ PHE 17 -6.172 -8.399 -24.859 146 H CYS 18 HN CYS 18 -11.115 -2.134 -23.187 147 HA CYS 18 HA CYS 18 -12.919 -0.853 -24.999 148 HB2 CYS 18 HB1 CYS 18 -12.092 0.044 -22.184 149 HB3 CYS 18 HB2 CYS 18 -13.513 0.628 -23.110 150 H LEU 19 HN LEU 19 -9.911 0.417 -23.374 151 HA LEU 19 HA LEU 19 -10.291 2.923 -24.645 152 HB2 LEU 19 HB1 LEU 19 -8.493 3.787 -23.442 153 HB3 LEU 19 HB2 LEU 19 -9.364 2.643 -22.387 154 HG LEU 19 HG LEU 19 -7.437 0.953 -23.308 155 HD11 LEU 19 HD11 LEU 19 -6.294 2.731 -24.719 156 HD12 LEU 19 HD12 LEU 19 -5.239 2.142 -23.385 157 HD13 LEU 19 HD13 LEU 19 -6.069 3.731 -23.239 158 HD21 LEU 19 HD21 LEU 19 -6.191 1.432 -21.201 159 HD22 LEU 19 HD22 LEU 19 -7.971 1.427 -20.919 160 HD23 LEU 19 HD23 LEU 19 -7.073 2.994 -21.021 161 H VAL 20 HN VAL 20 -8.042 0.222 -25.487 162 HA VAL 20 HA VAL 20 -6.780 1.854 -27.495 163 HB VAL 20 HB VAL 20 -6.590 -1.156 -27.002 164 HG11 VAL 20 HG11 VAL 20 -4.441 -0.907 -28.315 165 HG12 VAL 20 HG12 VAL 20 -5.860 -0.545 -29.347 166 HG13 VAL 20 HG13 VAL 20 -4.856 0.800 -28.682 167 HG21 VAL 20 HG21 VAL 20 -5.818 0.139 -25.023 168 HG22 VAL 20 HG22 VAL 20 -4.416 -0.535 -25.913 169 HG23 VAL 20 HG23 VAL 20 -4.821 1.208 -26.087 170 H THR 21 HN THR 21 -8.591 -1.266 -27.840 171 HA THR 21 HA THR 21 -8.881 -0.604 -30.668 172 HB THR 21 HB THR 21 -7.920 -2.767 -29.979 173 HG1 THR 21 HG1 THR 21 -10.303 -2.700 -31.461 174 HG21 THR 21 HG21 THR 21 -10.805 -3.446 -29.051 175 HG22 THR 21 HG22 THR 21 -9.364 -3.259 -27.976 176 HG23 THR 21 HG23 THR 21 -9.419 -4.576 -29.197 177 H LYS 22 HN LYS 22 -10.781 0.035 -28.068 178 HA LYS 22 HA LYS 22 -12.878 0.681 -27.819 179 HB2 LYS 22 HB1 LYS 22 -13.116 0.861 -30.852 180 HB3 LYS 22 HB2 LYS 22 -13.999 1.822 -29.629 181 HG2 LYS 22 HG1 LYS 22 -10.974 1.963 -30.279 182 HG3 LYS 22 HG2 LYS 22 -12.238 3.076 -30.867 183 HD2 LYS 22 HD1 LYS 22 -12.754 3.791 -28.543 184 HD3 LYS 22 HD2 LYS 22 -11.462 2.744 -27.891 185 HE2 LYS 22 HE1 LYS 22 -10.987 5.011 -29.960 186 HE3 LYS 22 HE2 LYS 22 -10.839 5.231 -28.171 187 HZ1 LYS 22 HZ1 LYS 22 -9.099 3.706 -28.082 188 HZ2 LYS 22 HZ2 LYS 22 -8.717 4.719 -29.381 189 HZ3 LYS 22 HZ3 LYS 22 -9.288 3.140 -29.630 190 H LYS 23 HN LYS 23 -12.834 -1.954 -27.399 191 HA LYS 23 HA LYS 23 -15.492 -2.744 -28.297 192 HB2 LYS 23 HB1 LYS 23 -13.099 -3.597 -29.706 193 HB3 LYS 23 HB2 LYS 23 -13.826 -5.046 -28.975 194 HG2 LYS 23 HG1 LYS 23 -15.886 -4.824 -30.104 195 HG3 LYS 23 HG2 LYS 23 -15.659 -3.102 -30.466 196 HD2 LYS 23 HD1 LYS 23 -14.170 -5.466 -31.773 197 HD3 LYS 23 HD2 LYS 23 -15.453 -4.472 -32.511 198 HE2 LYS 23 HE1 LYS 23 -12.570 -3.612 -31.811 199 HE3 LYS 23 HE2 LYS 23 -13.320 -3.727 -33.446 200 HZ1 LYS 23 HZ1 LYS 23 -13.124 -1.460 -32.446 201 HZ2 LYS 23 HZ2 LYS 23 -14.273 -1.881 -31.305 202 HZ3 LYS 23 HZ3 LYS 23 -14.708 -1.871 -32.941 203 H CYS 24 HN CYS 24 -13.153 -2.910 -25.837 204 HA CYS 24 HA CYS 24 -13.181 -3.908 -23.862 205 HB2 CYS 24 HB1 CYS 24 -16.197 -4.046 -24.334 206 HB3 CYS 24 HB2 CYS 24 -15.383 -4.166 -22.740 Start of MODEL 18 1 H1 PHE 1 HN PHE 1 6.831 -0.600 -2.046 2 HA PHE 1 HA PHE 1 5.408 -2.647 -1.961 3 HB2 PHE 1 HB1 PHE 1 4.299 -0.090 -0.604 4 HB3 PHE 1 HB2 PHE 1 3.906 -1.781 -0.104 5 HD1 PHE 1 HD1 PHE 1 5.903 -3.324 0.489 6 HD2 PHE 1 HD2 PHE 1 6.166 0.964 0.363 7 HE1 PHE 1 HE1 PHE 1 7.910 -3.403 1.938 8 HE2 PHE 1 HE2 PHE 1 8.172 0.882 1.814 9 HZ PHE 1 HZ PHE 1 9.046 -1.301 2.600 10 H LEU 2 HN LEU 2 4.228 0.145 -3.616 11 HA LEU 2 HA LEU 2 1.512 -0.508 -3.792 12 HB2 LEU 2 HB1 LEU 2 3.269 1.227 -5.588 13 HB3 LEU 2 HB2 LEU 2 1.510 1.018 -5.842 14 HG LEU 2 HG LEU 2 1.110 1.876 -3.483 15 HD11 LEU 2 HD11 LEU 2 4.061 2.764 -3.715 16 HD12 LEU 2 HD12 LEU 2 3.344 1.717 -2.426 17 HD13 LEU 2 HD13 LEU 2 2.867 3.439 -2.551 18 HD21 LEU 2 HD21 LEU 2 1.311 4.250 -4.207 19 HD22 LEU 2 HD22 LEU 2 0.714 3.210 -5.553 20 HD23 LEU 2 HD23 LEU 2 2.433 3.765 -5.530 21 HA PRO 3 HA PRO 3 2.413 -3.776 -6.691 22 HB2 PRO 3 HB1 PRO 3 0.115 -5.257 -6.575 23 HB3 PRO 3 HB2 PRO 3 1.101 -4.947 -5.097 24 HG2 PRO 3 HG1 PRO 3 -1.361 -3.347 -6.010 25 HG3 PRO 3 HG2 PRO 3 -1.096 -4.160 -4.408 26 HD2 PRO 3 HD1 PRO 3 -0.475 -1.491 -4.762 27 HD3 PRO 3 HD2 PRO 3 0.604 -2.589 -3.788 28 H ILE 4 HN ILE 4 2.407 -1.803 -8.226 29 HA ILE 4 HA ILE 4 0.254 -1.126 -9.786 30 HB ILE 4 HB ILE 4 2.186 0.263 -9.475 31 HG12 ILE 4 HG11 ILE 4 1.759 -0.308 -12.467 32 HG13 ILE 4 HG12 ILE 4 0.601 0.572 -11.419 33 HG21 ILE 4 HG21 ILE 4 4.324 -0.096 -10.621 34 HG22 ILE 4 HG22 ILE 4 3.976 -1.529 -9.610 35 HG23 ILE 4 HG23 ILE 4 3.730 -1.595 -11.404 36 HD11 ILE 4 HD1 ILE 4 1.995 2.194 -12.666 37 HD12 ILE 4 HD2 ILE 4 2.387 2.296 -10.911 38 HD13 ILE 4 HD3 ILE 4 3.504 1.446 -12.039 39 H LEU 5 HN LEU 5 2.728 -3.599 -10.673 40 HA LEU 5 HA LEU 5 1.681 -4.112 -13.222 41 HB2 LEU 5 HB1 LEU 5 3.135 -6.045 -11.325 42 HB3 LEU 5 HB2 LEU 5 2.955 -6.251 -13.095 43 HG LEU 5 HG LEU 5 4.514 -3.989 -11.701 44 HD11 LEU 5 HD11 LEU 5 5.493 -6.473 -13.241 45 HD12 LEU 5 HD12 LEU 5 5.589 -6.227 -11.457 46 HD13 LEU 5 HD13 LEU 5 6.527 -5.161 -12.566 47 HD21 LEU 5 HD21 LEU 5 3.623 -3.197 -13.893 48 HD22 LEU 5 HD22 LEU 5 4.244 -4.691 -14.696 49 HD23 LEU 5 HD23 LEU 5 5.393 -3.494 -14.000 50 H ALA 6 HN ALA 6 0.869 -5.631 -10.082 51 HA ALA 6 HA ALA 6 -0.982 -7.497 -11.113 52 HB1 ALA 6 HB1 ALA 6 -1.704 -7.695 -8.725 53 HB2 ALA 6 HB2 ALA 6 0.090 -7.681 -8.848 54 HB3 ALA 6 HB3 ALA 6 -0.785 -6.195 -8.327 55 H SER 7 HN SER 7 -1.398 -4.157 -9.858 56 HA SER 7 HA SER 7 -4.193 -4.044 -10.182 57 HB2 SER 7 HB1 SER 7 -2.749 -2.413 -8.880 58 HB3 SER 7 HB2 SER 7 -2.227 -1.700 -10.442 59 HG SER 7 HG1 SER 7 -4.047 -0.635 -9.431 60 H LEU 8 HN LEU 8 -1.586 -3.136 -12.532 61 HA LEU 8 HA LEU 8 -3.317 -2.309 -14.567 62 HB2 LEU 8 HB1 LEU 8 -0.452 -3.184 -14.325 63 HB3 LEU 8 HB2 LEU 8 -1.136 -3.295 -15.968 64 HG LEU 8 HG LEU 8 0.107 -1.192 -15.504 65 HD11 LEU 8 HD11 LEU 8 -1.467 -1.336 -17.370 66 HD12 LEU 8 HD12 LEU 8 -1.524 0.310 -16.646 67 HD13 LEU 8 HD13 LEU 8 -2.849 -0.874 -16.311 68 HD21 LEU 8 HD21 LEU 8 -0.569 -0.687 -13.181 69 HD22 LEU 8 HD22 LEU 8 -2.272 -0.410 -13.697 70 HD23 LEU 8 HD23 LEU 8 -0.958 0.683 -14.277 71 H ALA 9 HN ALA 9 -1.936 -5.641 -14.056 72 HA ALA 9 HA ALA 9 -3.385 -6.682 -16.266 73 HB1 ALA 9 HB1 ALA 9 -2.127 -8.069 -13.821 74 HB2 ALA 9 HB2 ALA 9 -2.626 -8.890 -15.352 75 HB3 ALA 9 HB3 ALA 9 -1.289 -7.686 -15.363 76 H ALA 10 HN ALA 10 -4.085 -6.880 -12.707 77 HA ALA 10 HA ALA 10 -6.462 -8.453 -13.351 78 HB1 ALA 10 HB1 ALA 10 -4.714 -9.380 -11.818 79 HB2 ALA 10 HB2 ALA 10 -4.980 -8.001 -10.696 80 HB3 ALA 10 HB3 ALA 10 -6.302 -9.197 -10.996 81 H LYS 11 HN LYS 11 -6.010 -5.214 -13.018 82 HA LYS 11 HA LYS 11 -8.842 -5.048 -12.217 83 HB2 LYS 11 HB1 LYS 11 -7.128 -4.426 -10.298 84 HB3 LYS 11 HB2 LYS 11 -6.787 -2.984 -11.269 85 HG2 LYS 11 HG1 LYS 11 -8.393 -2.396 -9.557 86 HG3 LYS 11 HG2 LYS 11 -9.204 -2.308 -11.142 87 HD2 LYS 11 HD1 LYS 11 -10.668 -3.235 -9.438 88 HD3 LYS 11 HD2 LYS 11 -10.408 -4.446 -10.710 89 HE2 LYS 11 HE1 LYS 11 -8.580 -4.550 -8.239 90 HE3 LYS 11 HE2 LYS 11 -10.319 -4.954 -7.992 91 HZ1 LYS 11 HZ1 LYS 11 -8.887 -6.879 -8.508 92 HZ2 LYS 11 HZ2 LYS 11 -8.634 -6.291 -10.066 93 HZ3 LYS 11 HZ3 LYS 11 -10.184 -6.682 -9.576 94 H PHE 12 HN PHE 12 -6.142 -3.644 -14.120 95 HA PHE 12 HA PHE 12 -8.211 -2.102 -15.563 96 HB2 PHE 12 HB1 PHE 12 -5.160 -1.905 -15.652 97 HB3 PHE 12 HB2 PHE 12 -6.284 -0.891 -16.616 98 HD1 PHE 12 HD1 PHE 12 -4.146 0.199 -14.839 99 HD2 PHE 12 HD2 PHE 12 -8.281 -0.688 -13.991 100 HE1 PHE 12 HE1 PHE 12 -4.159 1.902 -13.048 101 HE2 PHE 12 HE2 PHE 12 -8.273 0.990 -12.219 102 HZ PHE 12 HZ PHE 12 -6.224 2.298 -11.728 103 H GLY 13 HN GLY 13 -6.964 -5.185 -15.945 104 HA2 GLY 13 HA1 GLY 13 -6.136 -5.471 -18.452 105 HA3 GLY 13 HA2 GLY 13 -7.296 -6.592 -17.685 106 HA PRO 14 HA PRO 14 -10.090 -5.484 -20.899 107 HB2 PRO 14 HB1 PRO 14 -12.576 -4.727 -19.823 108 HB3 PRO 14 HB2 PRO 14 -11.928 -6.408 -19.766 109 HG2 PRO 14 HG1 PRO 14 -11.714 -4.265 -17.578 110 HG3 PRO 14 HG2 PRO 14 -12.284 -5.977 -17.410 111 HD2 PRO 14 HD1 PRO 14 -9.698 -5.288 -16.803 112 HD3 PRO 14 HD2 PRO 14 -10.027 -6.833 -17.713 113 H LYS 15 HN LYS 15 -9.714 -2.905 -18.553 114 HA LYS 15 HA LYS 15 -10.614 -0.750 -20.210 115 HB2 LYS 15 HB1 LYS 15 -10.533 -0.319 -17.869 116 HB3 LYS 15 HB2 LYS 15 -8.926 -1.069 -17.704 117 HG2 LYS 15 HG1 LYS 15 -7.866 0.858 -18.894 118 HG3 LYS 15 HG2 LYS 15 -9.457 1.684 -18.982 119 HD2 LYS 15 HD1 LYS 15 -9.575 1.834 -16.540 120 HD3 LYS 15 HD2 LYS 15 -8.271 0.617 -16.358 121 HE2 LYS 15 HE1 LYS 15 -6.600 2.242 -17.352 122 HE3 LYS 15 HE2 LYS 15 -7.892 3.509 -17.387 123 HZ1 LYS 15 HZ1 LYS 15 -8.116 3.244 -14.989 124 HZ2 LYS 15 HZ2 LYS 15 -6.519 3.641 -15.400 125 HZ3 LYS 15 HZ3 LYS 15 -6.915 2.057 -14.963 126 H LEU 16 HN LEU 16 -7.379 -2.253 -19.681 127 HA LEU 16 HA LEU 16 -5.953 -0.653 -21.500 128 HB2 LEU 16 HB1 LEU 16 -5.573 -3.550 -20.574 129 HB3 LEU 16 HB2 LEU 16 -4.366 -2.668 -21.560 130 HG LEU 16 HG LEU 16 -5.313 -1.712 -18.801 131 HD11 LEU 16 HD11 LEU 16 -3.215 -2.696 -17.906 132 HD12 LEU 16 HD12 LEU 16 -2.806 -3.349 -19.540 133 HD13 LEU 16 HD13 LEU 16 -4.247 -3.965 -18.647 134 HD21 LEU 16 HD21 LEU 16 -3.214 -0.340 -18.875 135 HD22 LEU 16 HD22 LEU 16 -4.317 0.092 -20.234 136 HD23 LEU 16 HD23 LEU 16 -2.876 -0.948 -20.536 137 H PHE 17 HN PHE 17 -7.679 -3.750 -21.985 138 HA PHE 17 HA PHE 17 -7.009 -4.056 -24.664 139 HB2 PHE 17 HB1 PHE 17 -7.963 -5.733 -22.934 140 HB3 PHE 17 HB2 PHE 17 -9.571 -4.981 -23.196 141 HD1 PHE 17 HD1 PHE 17 -10.701 -6.908 -23.999 142 HD2 PHE 17 HD2 PHE 17 -6.959 -5.810 -25.824 143 HE1 PHE 17 HE1 PHE 17 -11.032 -8.637 -25.736 144 HE2 PHE 17 HE2 PHE 17 -7.309 -7.509 -27.558 145 HZ PHE 17 HZ PHE 17 -9.335 -8.938 -27.524 146 H CYS 18 HN CYS 18 -9.923 -2.430 -23.257 147 HA CYS 18 HA CYS 18 -10.861 -1.908 -25.963 148 HB2 CYS 18 HB1 CYS 18 -12.114 -1.315 -23.246 149 HB3 CYS 18 HB2 CYS 18 -12.917 -1.078 -24.839 150 H LEU 19 HN LEU 19 -9.081 0.126 -23.609 151 HA LEU 19 HA LEU 19 -10.330 2.472 -24.594 152 HB2 LEU 19 HB1 LEU 19 -9.194 3.746 -23.199 153 HB3 LEU 19 HB2 LEU 19 -9.032 2.191 -22.345 154 HG LEU 19 HG LEU 19 -6.892 3.513 -24.154 155 HD11 LEU 19 HD11 LEU 19 -7.110 3.397 -21.086 156 HD12 LEU 19 HD12 LEU 19 -7.366 4.857 -22.121 157 HD13 LEU 19 HD13 LEU 19 -5.738 4.086 -22.036 158 HD21 LEU 19 HD21 LEU 19 -6.621 1.169 -22.179 159 HD22 LEU 19 HD22 LEU 19 -5.295 1.898 -23.159 160 HD23 LEU 19 HD23 LEU 19 -6.619 0.989 -23.972 161 H VAL 20 HN VAL 20 -7.775 0.561 -25.965 162 HA VAL 20 HA VAL 20 -6.530 2.511 -27.535 163 HB VAL 20 HB VAL 20 -6.969 -0.446 -28.189 164 HG11 VAL 20 HG11 VAL 20 -4.848 1.622 -29.117 165 HG12 VAL 20 HG12 VAL 20 -4.814 -0.138 -29.472 166 HG13 VAL 20 HG13 VAL 20 -6.117 0.882 -30.165 167 HG21 VAL 20 HG21 VAL 20 -5.958 -0.231 -25.929 168 HG22 VAL 20 HG22 VAL 20 -4.698 -0.705 -27.106 169 HG23 VAL 20 HG23 VAL 20 -4.784 1.000 -26.542 170 H THR 21 HN THR 21 -9.268 0.304 -28.498 171 HA THR 21 HA THR 21 -9.948 2.298 -30.587 172 HB THR 21 HB THR 21 -8.198 0.702 -31.403 173 HG1 THR 21 HG1 THR 21 -9.280 0.447 -33.360 174 HG21 THR 21 HG21 THR 21 -8.906 -1.548 -32.110 175 HG22 THR 21 HG22 THR 21 -10.571 -1.278 -31.503 176 HG23 THR 21 HG23 THR 21 -9.197 -1.411 -30.340 177 H LYS 22 HN LYS 22 -11.243 0.879 -28.044 178 HA LYS 22 HA LYS 22 -13.276 0.822 -27.319 179 HB2 LYS 22 HB1 LYS 22 -14.095 2.033 -30.009 180 HB3 LYS 22 HB2 LYS 22 -15.190 1.787 -28.625 181 HG2 LYS 22 HG1 LYS 22 -14.661 4.039 -28.608 182 HG3 LYS 22 HG2 LYS 22 -13.802 3.345 -27.211 183 HD2 LYS 22 HD1 LYS 22 -12.231 3.591 -29.804 184 HD3 LYS 22 HD2 LYS 22 -12.781 5.133 -29.086 185 HE2 LYS 22 HE1 LYS 22 -11.660 4.668 -26.940 186 HE3 LYS 22 HE2 LYS 22 -11.162 3.033 -27.500 187 HZ1 LYS 22 HZ1 LYS 22 -9.400 4.561 -27.639 188 HZ2 LYS 22 HZ2 LYS 22 -10.233 5.628 -28.674 189 HZ3 LYS 22 HZ3 LYS 22 -9.759 4.074 -29.180 190 H LYS 23 HN LYS 23 -12.846 -0.851 -30.339 191 HA LYS 23 HA LYS 23 -14.740 -2.938 -29.443 192 HB2 LYS 23 HB1 LYS 23 -15.131 -1.938 -31.751 193 HB3 LYS 23 HB2 LYS 23 -13.455 -2.382 -32.188 194 HG2 LYS 23 HG1 LYS 23 -14.087 -4.842 -31.729 195 HG3 LYS 23 HG2 LYS 23 -15.786 -4.314 -31.560 196 HD2 LYS 23 HD1 LYS 23 -13.962 -3.962 -34.030 197 HD3 LYS 23 HD2 LYS 23 -15.198 -5.245 -33.820 198 HE2 LYS 23 HE1 LYS 23 -17.022 -3.497 -33.774 199 HE3 LYS 23 HE2 LYS 23 -15.782 -2.201 -34.014 200 HZ1 LYS 23 HZ1 LYS 23 -15.166 -3.248 -36.098 201 HZ2 LYS 23 HZ2 LYS 23 -16.813 -2.851 -36.087 202 HZ3 LYS 23 HZ3 LYS 23 -16.327 -4.461 -35.881 203 H CYS 24 HN CYS 24 -13.732 -4.826 -28.664 204 HA CYS 24 HA CYS 24 -10.980 -5.359 -29.417 205 HB2 CYS 24 HB2 CYS 24 -10.167 -5.310 -27.051 206 HB3 CYS 24 HB1 CYS 24 -10.647 -3.700 -27.634 Start of MODEL 19 1 H1 PHE 1 HN PHE 1 6.444 -0.402 -2.496 2 HA PHE 1 HA PHE 1 4.729 -2.107 -2.005 3 HB2 PHE 1 HB1 PHE 1 3.462 -0.832 -0.296 4 HB3 PHE 1 HB2 PHE 1 5.189 -0.349 -0.285 5 HD1 PHE 1 HD1 PHE 1 5.873 1.853 -1.313 6 HD2 PHE 1 HD2 PHE 1 1.753 0.752 -0.805 7 HE1 PHE 1 HE1 PHE 1 5.204 4.219 -1.608 8 HE2 PHE 1 HE2 PHE 1 1.083 3.118 -1.098 9 HZ PHE 1 HZ PHE 1 2.808 4.854 -1.507 10 H LEU 2 HN LEU 2 3.649 0.669 -3.875 11 HA LEU 2 HA LEU 2 0.958 -0.104 -4.044 12 HB2 LEU 2 HB1 LEU 2 1.885 2.211 -4.311 13 HB3 LEU 2 HB2 LEU 2 2.538 1.736 -5.903 14 HG LEU 2 HG LEU 2 0.155 1.269 -6.672 15 HD11 LEU 2 HD11 LEU 2 -1.734 2.250 -5.325 16 HD12 LEU 2 HD12 LEU 2 -0.593 2.585 -3.975 17 HD13 LEU 2 HD13 LEU 2 -0.958 0.885 -4.443 18 HD21 LEU 2 HD21 LEU 2 0.709 4.106 -5.590 19 HD22 LEU 2 HD22 LEU 2 -0.454 3.684 -6.900 20 HD23 LEU 2 HD23 LEU 2 1.318 3.434 -7.147 21 HA PRO 3 HA PRO 3 2.213 -3.208 -6.915 22 HB2 PRO 3 HB1 PRO 3 0.161 -4.999 -6.737 23 HB3 PRO 3 HB2 PRO 3 1.051 -4.455 -5.264 24 HG2 PRO 3 HG1 PRO 3 -1.591 -3.286 -6.323 25 HG3 PRO 3 HG2 PRO 3 -1.262 -3.970 -4.671 26 HD2 PRO 3 HD1 PRO 3 -1.012 -1.262 -5.166 27 HD3 PRO 3 HD2 PRO 3 0.169 -2.147 -4.098 28 H ILE 4 HN ILE 4 1.929 -1.323 -8.557 29 HA ILE 4 HA ILE 4 -0.201 -1.131 -10.297 30 HB ILE 4 HB ILE 4 2.754 -0.593 -10.832 31 HG12 ILE 4 HG11 ILE 4 1.984 0.661 -8.862 32 HG13 ILE 4 HG12 ILE 4 2.258 1.736 -10.252 33 HG21 ILE 4 HG21 ILE 4 1.867 1.065 -12.548 34 HG22 ILE 4 HG22 ILE 4 1.581 -0.645 -13.006 35 HG23 ILE 4 HG23 ILE 4 0.227 0.349 -12.350 36 HD11 ILE 4 HD1 ILE 4 0.216 2.437 -9.076 37 HD12 ILE 4 HD2 ILE 4 -0.252 1.806 -10.688 38 HD13 ILE 4 HD3 ILE 4 -0.502 0.798 -9.208 39 H LEU 5 HN LEU 5 2.707 -3.228 -10.768 40 HA LEU 5 HA LEU 5 1.955 -4.154 -13.295 41 HB2 LEU 5 HB1 LEU 5 3.622 -5.551 -11.111 42 HB3 LEU 5 HB2 LEU 5 3.502 -6.079 -12.815 43 HG LEU 5 HG LEU 5 5.570 -5.029 -12.581 44 HD11 LEU 5 HD11 LEU 5 3.780 -2.931 -13.957 45 HD12 LEU 5 HD12 LEU 5 4.339 -4.484 -14.693 46 HD13 LEU 5 HD13 LEU 5 5.534 -3.216 -14.233 47 HD21 LEU 5 HD21 LEU 5 6.086 -2.824 -11.755 48 HD22 LEU 5 HD22 LEU 5 5.159 -3.696 -10.485 49 HD23 LEU 5 HD23 LEU 5 4.360 -2.419 -11.496 50 H ALA 6 HN ALA 6 1.182 -5.515 -10.065 51 HA ALA 6 HA ALA 6 -0.221 -7.770 -11.037 52 HB1 ALA 6 HB1 ALA 6 -1.073 -7.918 -8.689 53 HB2 ALA 6 HB2 ALA 6 0.691 -7.574 -8.702 54 HB3 ALA 6 HB3 ALA 6 -0.479 -6.244 -8.372 55 H SER 7 HN SER 7 -1.302 -4.478 -10.114 56 HA SER 7 HA SER 7 -4.042 -4.877 -10.637 57 HB2 SER 7 HB1 SER 7 -2.991 -2.923 -9.383 58 HB3 SER 7 HB2 SER 7 -2.505 -2.241 -10.970 59 HG SER 7 HG1 SER 7 -4.544 -1.449 -10.201 60 H LEU 8 HN LEU 8 -1.410 -3.764 -12.833 61 HA LEU 8 HA LEU 8 -2.946 -3.239 -15.057 62 HB2 LEU 8 HB1 LEU 8 -0.566 -2.631 -14.636 63 HB3 LEU 8 HB2 LEU 8 -0.073 -4.326 -14.878 64 HG LEU 8 HG LEU 8 0.395 -2.706 -16.740 65 HD11 LEU 8 HD11 LEU 8 -1.378 -5.032 -17.688 66 HD12 LEU 8 HD12 LEU 8 0.338 -5.176 -17.148 67 HD13 LEU 8 HD13 LEU 8 -0.080 -4.192 -18.599 68 HD21 LEU 8 HD21 LEU 8 -1.328 -1.953 -18.293 69 HD22 LEU 8 HD22 LEU 8 -1.753 -1.389 -16.633 70 HD23 LEU 8 HD23 LEU 8 -2.615 -2.801 -17.368 71 H ALA 9 HN ALA 9 -1.341 -6.384 -14.199 72 HA ALA 9 HA ALA 9 -2.514 -7.752 -16.394 73 HB1 ALA 9 HB1 ALA 9 -1.369 -8.786 -13.728 74 HB2 ALA 9 HB2 ALA 9 -1.671 -9.791 -15.201 75 HB3 ALA 9 HB3 ALA 9 -0.432 -8.486 -15.232 76 H ALA 10 HN ALA 10 -3.504 -7.638 -12.902 77 HA ALA 10 HA ALA 10 -5.631 -9.529 -13.572 78 HB1 ALA 10 HB1 ALA 10 -4.467 -8.658 -10.867 79 HB2 ALA 10 HB2 ALA 10 -5.587 -10.054 -11.163 80 HB3 ALA 10 HB3 ALA 10 -3.920 -10.069 -11.833 81 H LYS 11 HN LYS 11 -5.607 -6.196 -13.357 82 HA LYS 11 HA LYS 11 -8.532 -6.325 -12.941 83 HB2 LYS 11 HB1 LYS 11 -6.639 -4.206 -11.729 84 HB3 LYS 11 HB2 LYS 11 -8.384 -3.930 -11.999 85 HG2 LYS 11 HG1 LYS 11 -8.416 -4.503 -9.784 86 HG3 LYS 11 HG2 LYS 11 -8.834 -6.033 -10.605 87 HD2 LYS 11 HD1 LYS 11 -6.124 -6.418 -10.391 88 HD3 LYS 11 HD2 LYS 11 -6.263 -5.156 -9.154 89 HE2 LYS 11 HE1 LYS 11 -6.315 -7.475 -8.187 90 HE3 LYS 11 HE2 LYS 11 -7.857 -6.596 -7.832 91 HZ1 LYS 11 HZ1 LYS 11 -8.997 -7.847 -9.358 92 HZ2 LYS 11 HZ2 LYS 11 -7.905 -9.010 -8.774 93 HZ3 LYS 11 HZ3 LYS 11 -7.652 -8.245 -10.270 94 H PHE 12 HN PHE 12 -5.727 -4.748 -14.535 95 HA PHE 12 HA PHE 12 -7.586 -3.126 -16.067 96 HB2 PHE 12 HB1 PHE 12 -5.175 -2.623 -14.890 97 HB3 PHE 12 HB2 PHE 12 -4.590 -3.066 -16.521 98 HD1 PHE 12 HD1 PHE 12 -4.802 -1.484 -18.298 99 HD2 PHE 12 HD2 PHE 12 -6.749 -0.737 -14.561 100 HE1 PHE 12 HE1 PHE 12 -5.059 0.893 -18.924 101 HE2 PHE 12 HE2 PHE 12 -6.997 1.650 -15.154 102 HZ PHE 12 HZ PHE 12 -6.116 2.484 -17.336 103 H GLY 13 HN GLY 13 -6.230 -6.222 -16.513 104 HA2 GLY 13 HA1 GLY 13 -5.536 -6.470 -19.092 105 HA3 GLY 13 HA2 GLY 13 -6.537 -7.670 -18.222 106 HA PRO 14 HA PRO 14 -9.675 -6.749 -21.173 107 HB2 PRO 14 HB1 PRO 14 -12.113 -6.272 -19.870 108 HB3 PRO 14 HB2 PRO 14 -11.292 -7.877 -19.873 109 HG2 PRO 14 HG1 PRO 14 -11.110 -5.712 -17.702 110 HG3 PRO 14 HG2 PRO 14 -11.493 -7.470 -17.493 111 HD2 PRO 14 HD1 PRO 14 -8.950 -6.508 -17.115 112 HD3 PRO 14 HD2 PRO 14 -9.198 -8.101 -17.967 113 H LYS 15 HN LYS 15 -9.222 -4.234 -18.796 114 HA LYS 15 HA LYS 15 -10.503 -2.127 -20.219 115 HB2 LYS 15 HB1 LYS 15 -10.110 -1.910 -17.826 116 HB3 LYS 15 HB2 LYS 15 -8.361 -2.179 -18.044 117 HG2 LYS 15 HG1 LYS 15 -8.709 0.117 -17.560 118 HG3 LYS 15 HG2 LYS 15 -8.105 -0.034 -19.237 119 HD2 LYS 15 HD1 LYS 15 -10.509 0.224 -20.068 120 HD3 LYS 15 HD2 LYS 15 -11.031 0.521 -18.386 121 HE2 LYS 15 HE1 LYS 15 -9.066 2.228 -20.084 122 HE3 LYS 15 HE2 LYS 15 -10.755 2.676 -19.619 123 HZ1 LYS 15 HZ1 LYS 15 -9.093 3.715 -18.211 124 HZ2 LYS 15 HZ2 LYS 15 -8.506 2.190 -17.737 125 HZ3 LYS 15 HZ3 LYS 15 -10.078 2.661 -17.315 126 H LEU 16 HN LEU 16 -7.141 -3.426 -20.296 127 HA LEU 16 HA LEU 16 -6.084 -1.620 -22.147 128 HB2 LEU 16 HB1 LEU 16 -5.533 -4.608 -21.715 129 HB3 LEU 16 HB2 LEU 16 -4.541 -3.576 -22.789 130 HG LEU 16 HG LEU 16 -4.908 -3.067 -19.790 131 HD11 LEU 16 HD11 LEU 16 -2.631 -4.026 -19.527 132 HD12 LEU 16 HD12 LEU 16 -2.587 -4.440 -21.282 133 HD13 LEU 16 HD13 LEU 16 -3.777 -5.245 -20.192 134 HD21 LEU 16 HD21 LEU 16 -4.263 -1.007 -21.061 135 HD22 LEU 16 HD22 LEU 16 -2.916 -1.913 -21.853 136 HD23 LEU 16 HD23 LEU 16 -2.878 -1.610 -20.079 137 H PHE 17 HN PHE 17 -7.831 -4.718 -22.783 138 HA PHE 17 HA PHE 17 -7.728 -4.515 -25.580 139 HB2 PHE 17 HB1 PHE 17 -8.326 -6.597 -24.261 140 HB3 PHE 17 HB2 PHE 17 -9.906 -5.847 -23.839 141 HD1 PHE 17 HD1 PHE 17 -11.714 -6.013 -25.379 142 HD2 PHE 17 HD2 PHE 17 -7.729 -6.881 -26.733 143 HE1 PHE 17 HE1 PHE 17 -12.623 -6.828 -27.534 144 HE2 PHE 17 HE2 PHE 17 -8.640 -7.696 -28.887 145 HZ PHE 17 HZ PHE 17 -11.086 -7.671 -29.289 146 H CYS 18 HN CYS 18 -10.238 -3.391 -23.284 147 HA CYS 18 HA CYS 18 -11.960 -2.305 -25.185 148 HB2 CYS 18 HB1 CYS 18 -12.409 -2.940 -22.771 149 HB3 CYS 18 HB2 CYS 18 -11.611 -1.428 -22.271 150 H LEU 19 HN LEU 19 -9.199 -0.649 -23.498 151 HA LEU 19 HA LEU 19 -9.802 1.811 -24.828 152 HB2 LEU 19 HB1 LEU 19 -7.934 2.819 -23.860 153 HB3 LEU 19 HB2 LEU 19 -8.743 1.787 -22.653 154 HG LEU 19 HG LEU 19 -6.875 0.007 -23.390 155 HD11 LEU 19 HD11 LEU 19 -5.785 1.448 -25.167 156 HD12 LEU 19 HD12 LEU 19 -4.669 1.112 -23.800 157 HD13 LEU 19 HD13 LEU 19 -5.476 2.716 -23.926 158 HD21 LEU 19 HD21 LEU 19 -6.366 2.414 -21.530 159 HD22 LEU 19 HD22 LEU 19 -5.468 0.851 -21.499 160 HD23 LEU 19 HD23 LEU 19 -7.227 0.877 -21.102 161 H VAL 20 HN VAL 20 -7.471 -0.859 -25.682 162 HA VAL 20 HA VAL 20 -6.404 0.631 -27.804 163 HB VAL 20 HB VAL 20 -5.325 -1.321 -26.690 164 HG11 VAL 20 HG11 VAL 20 -5.683 -3.564 -27.639 165 HG12 VAL 20 HG12 VAL 20 -7.224 -2.962 -26.934 166 HG13 VAL 20 HG13 VAL 20 -6.982 -2.969 -28.726 167 HG21 VAL 20 HG21 VAL 20 -5.374 -1.232 -29.783 168 HG22 VAL 20 HG22 VAL 20 -4.412 -0.141 -28.705 169 HG23 VAL 20 HG23 VAL 20 -4.069 -1.905 -28.751 170 H THR 21 HN THR 21 -9.239 -1.468 -27.691 171 HA THR 21 HA THR 21 -9.803 -1.174 -30.523 172 HB THR 21 HB THR 21 -11.910 -2.383 -30.051 173 HG1 THR 21 HG1 THR 21 -10.948 -2.811 -27.456 174 HG21 THR 21 HG21 THR 21 -9.414 -3.712 -28.783 175 HG22 THR 21 HG22 THR 21 -9.812 -3.672 -30.541 176 HG23 THR 21 HG23 THR 21 -10.886 -4.544 -29.391 177 H LYS 22 HN LYS 22 -9.912 0.944 -28.088 178 HA LYS 22 HA LYS 22 -10.636 2.965 -27.913 179 HB2 LYS 22 HB1 LYS 22 -11.561 2.899 -30.808 180 HB3 LYS 22 HB2 LYS 22 -10.907 4.283 -29.866 181 HG2 LYS 22 HG1 LYS 22 -8.710 2.907 -29.649 182 HG3 LYS 22 HG2 LYS 22 -9.455 1.732 -30.788 183 HD2 LYS 22 HD1 LYS 22 -9.742 3.814 -32.391 184 HD3 LYS 22 HD2 LYS 22 -8.463 4.544 -31.381 185 HE2 LYS 22 HE1 LYS 22 -8.367 1.953 -33.080 186 HE3 LYS 22 HE2 LYS 22 -7.358 3.440 -33.276 187 HZ1 LYS 22 HZ1 LYS 22 -6.375 2.909 -31.083 188 HZ2 LYS 22 HZ2 LYS 22 -6.106 1.691 -32.238 189 HZ3 LYS 22 HZ3 LYS 22 -7.260 1.470 -31.030 190 H LYS 23 HN LYS 23 -12.316 1.388 -26.667 191 HA LYS 23 HA LYS 23 -14.897 2.806 -27.026 192 HB2 LYS 23 HB1 LYS 23 -14.387 -0.024 -25.921 193 HB3 LYS 23 HB2 LYS 23 -15.992 0.766 -26.054 194 HG2 LYS 23 HG1 LYS 23 -14.138 -0.001 -28.392 195 HG3 LYS 23 HG2 LYS 23 -15.518 -0.972 -27.829 196 HD2 LYS 23 HD1 LYS 23 -17.152 0.535 -28.588 197 HD3 LYS 23 HD2 LYS 23 -16.061 1.939 -28.610 198 HE2 LYS 23 HE1 LYS 23 -15.878 -0.411 -30.618 199 HE3 LYS 23 HE2 LYS 23 -16.686 1.183 -30.911 200 HZ1 LYS 23 HZ1 LYS 23 -14.440 2.147 -30.200 201 HZ2 LYS 23 HZ2 LYS 23 -14.552 1.455 -31.750 202 HZ3 LYS 23 HZ3 LYS 23 -13.800 0.640 -30.472 203 H CYS 24 HN CYS 24 -12.514 1.471 -24.690 204 HA CYS 24 HA CYS 24 -13.811 3.134 -22.604 205 HB2 CYS 24 HB1 CYS 24 -11.699 0.939 -22.318 206 HB3 CYS 24 HB2 CYS 24 -12.439 1.877 -20.974 Start of MODEL 20 1 H1 PHE 1 HN PHE 1 6.788 -1.625 -1.825 2 HA PHE 1 HA PHE 1 5.114 0.004 -0.580 3 HB2 PHE 1 HB1 PHE 1 5.205 0.776 -3.573 4 HB3 PHE 1 HB2 PHE 1 3.838 1.237 -2.484 5 HD1 PHE 1 HD1 PHE 1 4.211 2.728 -0.549 6 HD2 PHE 1 HD2 PHE 1 7.299 1.966 -3.435 7 HE1 PHE 1 HE1 PHE 1 5.425 4.743 0.221 8 HE2 PHE 1 HE2 PHE 1 8.514 3.988 -2.667 9 HZ PHE 1 HZ PHE 1 7.576 5.376 -0.836 10 H LEU 2 HN LEU 2 2.708 -0.292 -2.022 11 HA LEU 2 HA LEU 2 2.187 -3.016 -1.844 12 HB2 LEU 2 HB1 LEU 2 0.658 -0.718 -3.192 13 HB3 LEU 2 HB2 LEU 2 0.029 -2.390 -3.126 14 HG LEU 2 HG LEU 2 0.194 -2.303 -0.589 15 HD11 LEU 2 HD11 LEU 2 -0.012 -0.014 0.457 16 HD12 LEU 2 HD12 LEU 2 0.498 0.731 -1.098 17 HD13 LEU 2 HD13 LEU 2 1.633 -0.334 -0.170 18 HD21 LEU 2 HD21 LEU 2 -1.725 -0.355 -2.015 19 HD22 LEU 2 HD22 LEU 2 -1.979 -1.108 -0.399 20 HD23 LEU 2 HD23 LEU 2 -1.938 -2.145 -1.870 21 HA PRO 3 HA PRO 3 3.632 -4.438 -5.755 22 HB2 PRO 3 HB1 PRO 3 2.154 -6.741 -6.243 23 HB3 PRO 3 HB2 PRO 3 3.321 -6.581 -4.878 24 HG2 PRO 3 HG1 PRO 3 0.290 -6.101 -4.763 25 HG3 PRO 3 HG2 PRO 3 1.281 -7.198 -3.710 26 HD2 PRO 3 HD1 PRO 3 0.668 -4.655 -2.888 27 HD3 PRO 3 HD2 PRO 3 2.349 -5.306 -2.622 28 H ILE 4 HN ILE 4 2.718 -2.383 -6.604 29 HA ILE 4 HA ILE 4 0.302 -2.097 -7.781 30 HB ILE 4 HB ILE 4 1.733 -0.279 -7.144 31 HG12 ILE 4 HG11 ILE 4 1.012 -0.082 -10.131 32 HG13 ILE 4 HG12 ILE 4 -0.171 0.002 -8.786 33 HG21 ILE 4 HG21 ILE 4 3.939 -1.221 -7.956 34 HG22 ILE 4 HG22 ILE 4 3.437 -0.857 -9.659 35 HG23 ILE 4 HG23 ILE 4 3.656 0.468 -8.471 36 HD11 ILE 4 HD1 ILE 4 2.172 1.969 -9.258 37 HD12 ILE 4 HD2 ILE 4 0.423 2.293 -9.514 38 HD13 ILE 4 HD3 ILE 4 1.051 2.015 -7.850 39 H LEU 5 HN LEU 5 3.230 -3.260 -9.548 40 HA LEU 5 HA LEU 5 2.057 -3.133 -12.075 41 HB2 LEU 5 HB1 LEU 5 4.181 -5.113 -11.071 42 HB3 LEU 5 HB2 LEU 5 3.854 -4.709 -12.785 43 HG LEU 5 HG LEU 5 4.910 -2.755 -10.650 44 HD11 LEU 5 HD11 LEU 5 6.325 -4.115 -13.025 45 HD12 LEU 5 HD12 LEU 5 6.561 -4.513 -11.282 46 HD13 LEU 5 HD13 LEU 5 7.044 -2.896 -11.911 47 HD21 LEU 5 HD21 LEU 5 3.589 -1.519 -12.368 48 HD22 LEU 5 HD22 LEU 5 4.486 -2.372 -13.685 49 HD23 LEU 5 HD23 LEU 5 5.349 -1.230 -12.594 50 H ALA 6 HN ALA 6 2.083 -5.922 -9.804 51 HA ALA 6 HA ALA 6 0.641 -7.671 -11.497 52 HB1 ALA 6 HB1 ALA 6 0.318 -8.981 -9.370 53 HB2 ALA 6 HB2 ALA 6 2.020 -8.432 -9.546 54 HB3 ALA 6 HB3 ALA 6 0.912 -7.566 -8.422 55 H SER 7 HN SER 7 -0.413 -5.423 -8.897 56 HA SER 7 HA SER 7 -3.142 -6.076 -9.115 57 HB2 SER 7 HB1 SER 7 -2.108 -4.855 -7.166 58 HB3 SER 7 HB2 SER 7 -2.042 -3.377 -8.179 59 HG SER 7 HG1 SER 7 -3.941 -3.569 -6.852 60 H LEU 8 HN LEU 8 -1.250 -3.551 -10.817 61 HA LEU 8 HA LEU 8 -3.334 -2.294 -12.141 62 HB2 LEU 8 HB1 LEU 8 -0.982 -1.495 -11.752 63 HB3 LEU 8 HB2 LEU 8 -0.385 -2.652 -12.968 64 HG LEU 8 HG LEU 8 -0.527 -0.238 -13.629 65 HD11 LEU 8 HD11 LEU 8 -0.478 -2.038 -15.369 66 HD12 LEU 8 HD12 LEU 8 -1.304 -0.528 -15.904 67 HD13 LEU 8 HD13 LEU 8 -2.281 -1.971 -15.463 68 HD21 LEU 8 HD21 LEU 8 -2.670 0.321 -12.439 69 HD22 LEU 8 HD22 LEU 8 -3.583 -0.591 -13.707 70 HD23 LEU 8 HD23 LEU 8 -2.629 0.870 -14.154 71 H ALA 9 HN ALA 9 -1.298 -5.082 -13.236 72 HA ALA 9 HA ALA 9 -2.510 -5.428 -15.728 73 HB1 ALA 9 HB1 ALA 9 -1.355 -7.514 -13.767 74 HB2 ALA 9 HB2 ALA 9 -1.626 -7.780 -15.533 75 HB3 ALA 9 HB3 ALA 9 -0.409 -6.577 -14.972 76 H ALA 10 HN ALA 10 -3.420 -6.734 -12.528 77 HA ALA 10 HA ALA 10 -5.876 -7.877 -13.485 78 HB1 ALA 10 HB1 ALA 10 -4.756 -7.412 -10.657 79 HB2 ALA 10 HB2 ALA 10 -6.181 -8.456 -11.068 80 HB3 ALA 10 HB3 ALA 10 -4.537 -8.892 -11.648 81 H LYS 11 HN LYS 11 -5.405 -4.775 -13.647 82 HA LYS 11 HA LYS 11 -8.283 -4.374 -13.076 83 HB2 LYS 11 HB1 LYS 11 -6.221 -2.079 -13.098 84 HB3 LYS 11 HB2 LYS 11 -7.988 -1.933 -12.821 85 HG2 LYS 11 HG1 LYS 11 -5.873 -3.141 -10.989 86 HG3 LYS 11 HG2 LYS 11 -6.690 -1.583 -10.758 87 HD2 LYS 11 HD1 LYS 11 -8.720 -2.524 -10.047 88 HD3 LYS 11 HD2 LYS 11 -8.456 -4.078 -10.875 89 HE2 LYS 11 HE1 LYS 11 -6.893 -3.163 -8.364 90 HE3 LYS 11 HE2 LYS 11 -8.279 -4.330 -8.397 91 HZ1 LYS 11 HZ1 LYS 11 -5.637 -4.646 -9.738 92 HZ2 LYS 11 HZ2 LYS 11 -6.944 -5.649 -9.995 93 HZ3 LYS 11 HZ3 LYS 11 -6.230 -5.544 -8.441 94 H PHE 12 HN PHE 12 -5.412 -3.666 -15.140 95 HA PHE 12 HA PHE 12 -7.153 -2.338 -17.051 96 HB2 PHE 12 HB1 PHE 12 -4.127 -2.599 -16.704 97 HB3 PHE 12 HB2 PHE 12 -4.829 -1.975 -18.230 98 HD1 PHE 12 HD1 PHE 12 -3.312 -0.034 -17.733 99 HD2 PHE 12 HD2 PHE 12 -6.745 -0.919 -15.277 100 HE1 PHE 12 HE1 PHE 12 -3.236 2.244 -16.783 101 HE2 PHE 12 HE2 PHE 12 -6.649 1.323 -14.337 102 HZ PHE 12 HZ PHE 12 -4.890 2.922 -15.053 103 H GLY 13 HN GLY 13 -6.254 -5.596 -16.711 104 HA2 GLY 13 HA1 GLY 13 -5.819 -6.507 -19.229 105 HA3 GLY 13 HA2 GLY 13 -6.911 -7.297 -18.050 106 HA PRO 14 HA PRO 14 -10.129 -6.373 -20.930 107 HB2 PRO 14 HB1 PRO 14 -12.328 -5.308 -19.560 108 HB3 PRO 14 HB2 PRO 14 -11.749 -7.000 -19.324 109 HG2 PRO 14 HG1 PRO 14 -11.043 -4.549 -17.613 110 HG3 PRO 14 HG2 PRO 14 -11.658 -6.158 -17.052 111 HD2 PRO 14 HD1 PRO 14 -8.975 -5.570 -17.044 112 HD3 PRO 14 HD2 PRO 14 -9.542 -7.226 -17.557 113 H LYS 15 HN LYS 15 -9.062 -3.618 -19.070 114 HA LYS 15 HA LYS 15 -10.217 -1.575 -20.655 115 HB2 LYS 15 HB1 LYS 15 -9.263 -1.207 -18.368 116 HB3 LYS 15 HB2 LYS 15 -7.624 -1.503 -19.036 117 HG2 LYS 15 HG1 LYS 15 -7.904 0.475 -20.572 118 HG3 LYS 15 HG2 LYS 15 -9.512 0.797 -19.851 119 HD2 LYS 15 HD1 LYS 15 -8.468 1.154 -17.625 120 HD3 LYS 15 HD2 LYS 15 -6.874 0.635 -18.270 121 HE2 LYS 15 HE1 LYS 15 -6.806 2.617 -19.806 122 HE3 LYS 15 HE2 LYS 15 -8.400 3.182 -19.160 123 HZ1 LYS 15 HZ1 LYS 15 -6.432 4.218 -18.104 124 HZ2 LYS 15 HZ2 LYS 15 -5.980 2.698 -17.494 125 HZ3 LYS 15 HZ3 LYS 15 -7.435 3.402 -17.005 126 H LEU 16 HN LEU 16 -7.134 -3.367 -20.903 127 HA LEU 16 HA LEU 16 -5.993 -2.013 -23.037 128 HB2 LEU 16 HB1 LEU 16 -5.007 -3.731 -21.451 129 HB3 LEU 16 HB2 LEU 16 -5.798 -5.018 -22.390 130 HG LEU 16 HG LEU 16 -3.813 -2.989 -23.600 131 HD11 LEU 16 HD11 LEU 16 -2.035 -4.704 -23.258 132 HD12 LEU 16 HD12 LEU 16 -3.207 -5.758 -22.385 133 HD13 LEU 16 HD13 LEU 16 -2.730 -4.164 -21.684 134 HD21 LEU 16 HD21 LEU 16 -3.371 -4.846 -25.266 135 HD22 LEU 16 HD22 LEU 16 -5.049 -4.226 -25.367 136 HD23 LEU 16 HD23 LEU 16 -4.714 -5.795 -24.535 137 H PHE 17 HN PHE 17 -8.198 -4.870 -23.088 138 HA PHE 17 HA PHE 17 -8.373 -5.033 -25.885 139 HB2 PHE 17 HB1 PHE 17 -9.032 -6.846 -24.238 140 HB3 PHE 17 HB2 PHE 17 -10.458 -5.860 -23.759 141 HD1 PHE 17 HD1 PHE 17 -12.464 -6.180 -24.952 142 HD2 PHE 17 HD2 PHE 17 -8.765 -7.365 -26.787 143 HE1 PHE 17 HE1 PHE 17 -13.721 -7.177 -26.842 144 HE2 PHE 17 HE2 PHE 17 -10.018 -8.357 -28.676 145 HZ PHE 17 HZ PHE 17 -12.496 -8.266 -28.708 146 H CYS 18 HN CYS 18 -10.473 -3.210 -23.553 147 HA CYS 18 HA CYS 18 -12.205 -2.372 -25.604 148 HB2 CYS 18 HB1 CYS 18 -13.402 -1.070 -24.116 149 HB3 CYS 18 HB2 CYS 18 -12.837 -2.485 -23.191 150 H LEU 19 HN LEU 19 -9.302 -0.589 -24.281 151 HA LEU 19 HA LEU 19 -9.952 1.561 -26.058 152 HB2 LEU 19 HB1 LEU 19 -8.479 2.884 -25.223 153 HB3 LEU 19 HB2 LEU 19 -8.656 1.785 -23.829 154 HG LEU 19 HG LEU 19 -6.381 1.652 -25.918 155 HD11 LEU 19 HD11 LEU 19 -6.372 3.852 -24.777 156 HD12 LEU 19 HD12 LEU 19 -4.982 2.838 -24.248 157 HD13 LEU 19 HD13 LEU 19 -6.415 3.035 -23.166 158 HD21 LEU 19 HD21 LEU 19 -6.710 -0.464 -24.616 159 HD22 LEU 19 HD22 LEU 19 -6.595 0.461 -23.075 160 HD23 LEU 19 HD23 LEU 19 -5.167 0.353 -24.177 161 H VAL 20 HN VAL 20 -7.630 -1.192 -26.415 162 HA VAL 20 HA VAL 20 -6.556 -0.149 -28.780 163 HB VAL 20 HB VAL 20 -5.575 -1.940 -27.271 164 HG11 VAL 20 HG11 VAL 20 -7.568 -3.554 -27.438 165 HG12 VAL 20 HG12 VAL 20 -7.117 -3.839 -29.166 166 HG13 VAL 20 HG13 VAL 20 -5.972 -4.280 -27.855 167 HG21 VAL 20 HG21 VAL 20 -4.538 -1.080 -29.379 168 HG22 VAL 20 HG22 VAL 20 -4.257 -2.849 -29.190 169 HG23 VAL 20 HG23 VAL 20 -5.500 -2.255 -30.347 170 H THR 21 HN THR 21 -9.451 -2.149 -28.288 171 HA THR 21 HA THR 21 -9.817 -2.262 -31.197 172 HB THR 21 HB THR 21 -11.629 -3.713 -30.948 173 HG1 THR 21 HG1 THR 21 -11.302 -3.623 -28.161 174 HG21 THR 21 HG21 THR 21 -9.328 -4.688 -30.718 175 HG22 THR 21 HG22 THR 21 -10.570 -5.628 -29.815 176 HG23 THR 21 HG23 THR 21 -9.444 -4.547 -28.927 177 H LYS 22 HN LYS 22 -10.095 0.228 -29.345 178 HA LYS 22 HA LYS 22 -11.106 2.134 -29.448 179 HB2 LYS 22 HB1 LYS 22 -10.514 1.453 -31.851 180 HB3 LYS 22 HB2 LYS 22 -12.261 1.330 -32.156 181 HG2 LYS 22 HG1 LYS 22 -10.933 3.894 -31.014 182 HG3 LYS 22 HG2 LYS 22 -10.848 3.477 -32.749 183 HD2 LYS 22 HD1 LYS 22 -13.383 3.302 -32.793 184 HD3 LYS 22 HD2 LYS 22 -13.406 4.035 -31.155 185 HE2 LYS 22 HE1 LYS 22 -12.280 6.098 -32.030 186 HE3 LYS 22 HE2 LYS 22 -12.143 5.345 -33.670 187 HZ1 LYS 22 HZ1 LYS 22 -14.042 6.823 -33.501 188 HZ2 LYS 22 HZ2 LYS 22 -14.689 5.903 -32.227 189 HZ3 LYS 22 HZ3 LYS 22 -14.537 5.225 -33.772 190 H LYS 23 HN LYS 23 -12.518 0.469 -27.796 191 HA LYS 23 HA LYS 23 -15.340 1.259 -28.227 192 HB2 LYS 23 HB1 LYS 23 -14.193 -0.624 -26.095 193 HB3 LYS 23 HB2 LYS 23 -15.915 -0.401 -26.539 194 HG2 LYS 23 HG1 LYS 23 -13.688 -1.710 -28.214 195 HG3 LYS 23 HG2 LYS 23 -15.015 -2.547 -27.349 196 HD2 LYS 23 HD1 LYS 23 -16.697 -1.331 -28.817 197 HD3 LYS 23 HD2 LYS 23 -15.345 -0.631 -29.752 198 HE2 LYS 23 HE1 LYS 23 -16.033 -3.641 -29.491 199 HE3 LYS 23 HE2 LYS 23 -16.280 -2.588 -30.943 200 HZ1 LYS 23 HZ1 LYS 23 -14.263 -3.796 -31.224 201 HZ2 LYS 23 HZ2 LYS 23 -13.673 -3.351 -29.699 202 HZ3 LYS 23 HZ3 LYS 23 -13.820 -2.199 -30.868 203 H CYS 24 HN CYS 24 -12.495 1.792 -26.189 204 HA CYS 24 HA CYS 24 -14.057 3.318 -24.247 205 HB2 CYS 24 HB1 CYS 24 -11.025 2.996 -24.551 206 HB3 CYS 24 HB2 CYS 24 -11.837 3.889 -23.226
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