NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
555858 | 2m0a | 18587 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA2 GLY 1 2HA GLY 1 -2.173 -21.271 31.146 2 HA3 GLY 1 1HA GLY 1 -1.432 -22.793 31.641 3 H LYS 2 H LYS 2 -0.069 -21.900 29.721 4 HA LYS 2 HA LYS 2 0.810 -22.709 27.731 5 HB2 LYS 2 2HB LYS 2 -0.711 -24.697 27.880 6 HB3 LYS 2 1HB LYS 2 -1.948 -23.752 27.071 7 HG2 LYS 2 2HG LYS 2 -0.245 -25.358 25.758 8 HG3 LYS 2 1HG LYS 2 -0.960 -23.916 25.046 9 HD2 LYS 2 2HD LYS 2 1.012 -22.616 25.762 10 HD3 LYS 2 1HD LYS 2 1.741 -24.093 26.388 11 HE2 LYS 2 2HE LYS 2 1.473 -25.078 24.072 12 HE3 LYS 2 1HE LYS 2 1.017 -23.471 23.516 13 HZ1 LYS 2 3HZ LYS 2 3.218 -22.820 24.765 14 HZ2 LYS 2 1HZ LYS 2 3.271 -23.412 23.175 15 HZ3 LYS 2 2HZ LYS 2 3.619 -24.445 24.478 16 H LYS 3 H LYS 3 -2.536 -22.057 26.761 17 HA LYS 3 HA LYS 3 -3.135 -19.700 26.099 18 HB2 LYS 3 2HB LYS 3 -1.804 -18.554 24.509 19 HB3 LYS 3 1HB LYS 3 -0.695 -19.087 25.752 20 HG2 LYS 3 2HG LYS 3 -0.827 -19.830 22.900 21 HG3 LYS 3 1HG LYS 3 0.533 -19.867 23.999 22 HD2 LYS 3 2HD LYS 3 0.333 -22.066 24.282 23 HD3 LYS 3 1HD LYS 3 -1.357 -21.971 24.671 24 HE2 LYS 3 2HE LYS 3 -1.377 -21.530 21.965 25 HE3 LYS 3 1HE LYS 3 -0.062 -22.684 22.147 26 HZ1 LYS 3 3HZ LYS 3 -2.393 -23.621 21.884 27 HZ2 LYS 3 1HZ LYS 3 -2.676 -23.094 23.471 28 HZ3 LYS 3 2HZ LYS 3 -1.458 -24.238 23.161 29 H VAL 4 H VAL 4 -2.400 -19.691 23.057 30 HA VAL 4 HA VAL 4 -3.296 -21.954 21.770 31 HB VAL 4 HB VAL 4 -5.714 -20.949 21.293 32 HG11 VAL 4 1HG1 VAL 4 -5.964 -22.401 23.723 33 HG12 VAL 4 2HG1 VAL 4 -4.507 -23.020 22.921 34 HG13 VAL 4 3HG1 VAL 4 -6.071 -23.038 22.081 35 HG21 VAL 4 3HG2 VAL 4 -5.661 -20.462 24.207 36 HG22 VAL 4 1HG2 VAL 4 -6.499 -19.568 22.937 37 HG23 VAL 4 2HG2 VAL 4 -4.789 -19.256 23.257 38 H GLU 5 H GLU 5 -1.664 -19.522 21.485 39 HA GLU 5 HA GLU 5 -2.256 -19.156 18.682 40 HB2 GLU 5 2HB GLU 5 -3.277 -17.321 20.487 41 HB3 GLU 5 1HB GLU 5 -1.781 -16.566 19.946 42 HG2 GLU 5 2HG GLU 5 -4.104 -16.323 18.637 43 HG3 GLU 5 1HG GLU 5 -2.547 -16.265 17.827 44 H PHE 6 H PHE 6 -0.199 -20.201 20.564 45 HA PHE 6 HA PHE 6 2.076 -18.739 20.744 46 HB2 PHE 6 2HB PHE 6 1.431 -21.309 21.289 47 HB3 PHE 6 1HB PHE 6 2.486 -21.542 19.887 48 HD1 PHE 6 HD2 PHE 6 2.272 -20.200 23.322 49 HD2 PHE 6 HD1 PHE 6 4.846 -21.034 19.991 50 HE1 PHE 6 HE2 PHE 6 4.255 -19.798 24.747 51 HE2 PHE 6 HE1 PHE 6 6.830 -20.643 21.415 52 HZ PHE 6 HZ PHE 6 6.537 -20.023 23.798 53 H ASN 7 H ASN 7 4.229 -19.221 19.393 54 HA ASN 7 HA ASN 7 3.645 -18.985 16.505 55 HB2 ASN 7 2HB ASN 7 6.253 -18.028 17.435 56 HB3 ASN 7 1HB ASN 7 5.095 -17.248 16.362 57 HD21 ASN 7 1HD2 ASN 7 2.853 -17.077 18.130 58 HD22 ASN 7 2HD2 ASN 7 3.255 -16.035 19.407 59 H ASP 8 H ASP 8 6.202 -19.637 15.367 60 HA ASP 8 HA ASP 8 7.639 -21.295 15.058 61 HB2 ASP 8 2HB ASP 8 7.103 -22.205 17.894 62 HB3 ASP 8 1HB ASP 8 8.524 -22.524 16.900 63 H LYS 9 H LYS 9 7.582 -23.823 15.014 64 HA LYS 9 HA LYS 9 5.617 -24.957 13.635 65 HB2 LYS 9 2HB LYS 9 6.089 -26.477 16.159 66 HB3 LYS 9 1HB LYS 9 6.192 -27.033 14.489 67 HG2 LYS 9 2HG LYS 9 8.397 -27.003 15.235 68 HG3 LYS 9 1HG LYS 9 8.205 -25.527 14.300 69 HD2 LYS 9 2HD LYS 9 9.227 -24.619 16.168 70 HD3 LYS 9 1HD LYS 9 7.554 -24.532 16.699 71 HE2 LYS 9 2HE LYS 9 8.313 -27.096 17.434 72 HE3 LYS 9 1HE LYS 9 9.751 -26.128 17.763 73 HZ1 LYS 9 3HZ LYS 9 7.241 -26.152 19.123 74 HZ2 LYS 9 1HZ LYS 9 7.667 -24.586 18.633 75 HZ3 LYS 9 2HZ LYS 9 8.725 -25.487 19.609 76 HA PRO 10 HA PRO 10 0.980 -24.453 15.419 77 HB2 PRO 10 2HB PRO 10 0.133 -26.861 13.691 78 HB3 PRO 10 1HB PRO 10 -0.269 -25.172 13.423 79 HG2 PRO 10 2HG PRO 10 1.655 -26.584 11.633 80 HG3 PRO 10 1HG PRO 10 1.557 -24.850 11.758 81 HD2 PRO 10 2HD PRO 10 4.027 -26.554 12.867 82 HD3 PRO 10 1HD PRO 10 4.016 -24.829 12.523 83 H LYS 11 H LYS 11 -0.953 -25.550 15.568 84 HA LYS 11 HA LYS 11 -2.437 -26.016 17.370 85 HB2 LYS 11 2HB LYS 11 -1.833 -28.157 15.967 86 HB3 LYS 11 1HB LYS 11 -1.042 -28.667 17.451 87 HG2 LYS 11 2HG LYS 11 -3.924 -27.762 17.222 88 HG3 LYS 11 1HG LYS 11 -3.393 -29.433 17.382 89 HD2 LYS 11 2HD LYS 11 -3.799 -28.998 19.607 90 HD3 LYS 11 1HD LYS 11 -2.148 -28.415 19.539 91 HE2 LYS 11 2HE LYS 11 -3.689 -26.225 18.703 92 HE3 LYS 11 1HE LYS 11 -4.607 -26.931 20.026 93 HZ1 LYS 11 3HZ LYS 11 -2.095 -26.992 20.985 94 HZ2 LYS 11 1HZ LYS 11 -3.217 -25.763 21.307 95 HZ3 LYS 11 2HZ LYS 11 -2.071 -25.559 20.074 96 H VAL 12 H VAL 12 -0.475 -28.375 18.800 97 HA VAL 12 HA VAL 12 -0.359 -27.210 21.350 98 HB VAL 12 HB VAL 12 1.820 -28.982 20.175 99 HG11 VAL 12 1HG1 VAL 12 1.570 -29.751 22.731 100 HG12 VAL 12 2HG1 VAL 12 1.058 -28.071 22.898 101 HG13 VAL 12 3HG1 VAL 12 2.648 -28.447 22.234 102 HG21 VAL 12 3HG2 VAL 12 0.513 -30.895 20.930 103 HG22 VAL 12 1HG2 VAL 12 -0.453 -29.941 19.807 104 HG23 VAL 12 2HG2 VAL 12 -0.750 -29.826 21.540 105 H ARG 13 H ARG 13 1.294 -26.631 18.380 106 HA ARG 13 HA ARG 13 2.341 -24.192 19.126 107 HB2 ARG 13 2HB ARG 13 4.701 -24.671 19.064 108 HB3 ARG 13 1HB ARG 13 3.975 -25.666 20.315 109 HG2 ARG 13 2HG ARG 13 4.706 -26.635 17.512 110 HG3 ARG 13 1HG ARG 13 5.608 -26.955 18.963 111 HD2 ARG 13 2HD ARG 13 4.242 -28.623 19.602 112 HD3 ARG 13 1HD ARG 13 2.805 -27.713 19.238 113 HE ARG 13 HE ARG 13 4.318 -29.047 17.081 114 HH11 ARG 13 1HH2 ARG 13 1.371 -28.403 18.803 115 HH12 ARG 13 2HH2 ARG 13 0.399 -29.400 17.780 116 HH21 ARG 13 1HH1 ARG 13 3.004 -30.350 15.738 117 HH22 ARG 13 2HH1 ARG 13 1.306 -30.473 16.055 118 H LYS 14 H LYS 14 1.953 -23.312 17.333 119 HA LYS 14 HA LYS 14 3.439 -23.198 14.873 120 HB2 LYS 14 2HB LYS 14 0.980 -24.075 13.484 121 HB3 LYS 14 1HB LYS 14 2.602 -24.021 12.920 122 HG2 LYS 14 2HG LYS 14 3.205 -26.991 14.627 123 HG3 LYS 14 1HG LYS 14 1.522 -27.167 14.816 124 HD2 LYS 14 2HD LYS 14 1.273 -27.991 12.609 125 HD3 LYS 14 1HD LYS 14 2.930 -27.570 12.164 126 HE2 LYS 14 2HE LYS 14 3.673 -29.465 13.083 127 HE3 LYS 14 1HE LYS 14 2.955 -29.018 14.630 128 HZ1 LYS 14 1HZ LYS 14 1.907 -30.995 13.993 129 HZ2 LYS 14 2HZ LYS 14 1.697 -30.471 12.390 130 HZ3 LYS 14 3HZ LYS 14 0.788 -29.769 13.642 131 H ILE 15 H ILE 15 2.243 -22.333 12.797 132 HA ILE 15 HA ILE 15 0.438 -20.242 13.609 133 HB ILE 15 HB ILE 15 1.687 -18.428 12.793 134 HG12 ILE 15 2HG1 ILE 15 2.871 -20.470 11.121 135 HG13 ILE 15 1HG1 ILE 15 2.936 -18.721 10.928 136 HG21 ILE 15 1HG2 ILE 15 3.669 -18.503 14.168 137 HG22 ILE 15 2HG2 ILE 15 3.683 -20.268 14.119 138 HG23 ILE 15 3HG2 ILE 15 2.398 -19.418 14.977 139 HD11 ILE 15 3HD1 ILE 15 5.203 -19.557 11.131 140 HD12 ILE 15 1HD1 ILE 15 4.790 -20.435 12.603 141 HD13 ILE 15 2HD1 ILE 15 4.806 -18.671 12.603 142 HA PRO 16 HA PRO 16 -1.753 -20.838 9.887 143 HB2 PRO 16 2HB PRO 16 -0.739 -18.180 8.925 144 HB3 PRO 16 1HB PRO 16 -2.395 -18.816 8.908 145 HG2 PRO 16 2HG PRO 16 -1.564 -17.052 10.743 146 HG3 PRO 16 1HG PRO 16 -2.756 -18.310 11.109 147 HD2 PRO 16 2HD PRO 16 0.041 -18.084 12.018 148 HD3 PRO 16 1HD PRO 16 -1.290 -19.039 12.702 149 H SER 17 H SER 17 -1.405 -21.684 7.824 150 HA SER 17 HA SER 17 1.199 -22.492 7.092 151 HB2 SER 17 2HB SER 17 -0.770 -22.441 4.908 152 HB3 SER 17 1HB SER 17 0.147 -23.788 5.573 153 HG SER 17 HG SER 17 -1.320 -23.804 7.329 154 H THR 18 H THR 18 0.526 -19.574 7.262 155 HA THR 18 HA THR 18 1.648 -18.710 4.665 156 HB THR 18 HB THR 18 0.400 -16.745 4.722 157 HG1 THR 18 HG1 THR 18 0.387 -17.222 7.484 158 HG21 THR 18 3HG2 THR 18 -1.799 -17.471 4.809 159 HG22 THR 18 1HG2 THR 18 -1.550 -18.372 6.304 160 HG23 THR 18 2HG2 THR 18 -0.960 -19.021 4.775 161 H ARG 19 H ARG 19 3.108 -16.894 4.711 162 HA ARG 19 HA ARG 19 4.754 -16.904 7.153 163 HB2 ARG 19 2HB ARG 19 5.449 -16.017 4.337 164 HB3 ARG 19 1HB ARG 19 6.559 -16.067 5.707 165 HG2 ARG 19 2HG ARG 19 6.218 -18.507 5.897 166 HG3 ARG 19 1HG ARG 19 5.113 -18.459 4.523 167 HD2 ARG 19 2HD ARG 19 7.125 -19.063 3.498 168 HD3 ARG 19 1HD ARG 19 7.117 -17.314 3.286 169 HE ARG 19 HE ARG 19 8.408 -17.983 5.727 170 HH11 ARG 19 1HH2 ARG 19 8.791 -18.069 2.286 171 HH12 ARG 19 2HH2 ARG 19 10.522 -18.033 2.341 172 HH21 ARG 19 1HH1 ARG 19 10.677 -17.949 5.802 173 HH22 ARG 19 2HH1 ARG 19 11.588 -17.966 4.329 174 H LYS 20 H LYS 20 5.149 -15.070 8.239 175 HA LYS 20 HA LYS 20 3.549 -12.733 7.469 176 HB2 LYS 20 2HB LYS 20 4.860 -13.531 10.053 177 HB3 LYS 20 1HB LYS 20 4.154 -11.937 9.796 178 HG2 LYS 20 2HG LYS 20 1.989 -12.983 9.238 179 HG3 LYS 20 1HG LYS 20 2.693 -14.578 9.505 180 HD2 LYS 20 2HD LYS 20 3.146 -14.009 11.852 181 HD3 LYS 20 1HD LYS 20 2.496 -12.389 11.597 182 HE2 LYS 20 2HE LYS 20 0.300 -13.356 11.018 183 HE3 LYS 20 1HE LYS 20 0.946 -14.977 11.272 184 HZ1 LYS 20 3HZ LYS 20 1.377 -14.437 13.565 185 HZ2 LYS 20 1HZ LYS 20 -0.254 -14.132 13.213 186 HZ3 LYS 20 2HZ LYS 20 0.844 -12.841 13.333 187 H ILE 21 H ILE 21 4.466 -11.240 6.314 188 HA ILE 21 HA ILE 21 7.362 -10.767 6.513 189 HB ILE 21 HB ILE 21 6.992 -10.976 4.259 190 HG12 ILE 21 2HG1 ILE 21 5.922 -8.180 4.284 191 HG13 ILE 21 1HG1 ILE 21 7.510 -8.473 4.982 192 HG21 ILE 21 1HG2 ILE 21 4.844 -10.279 3.163 193 HG22 ILE 21 2HG2 ILE 21 4.229 -9.834 4.755 194 HG23 ILE 21 3HG2 ILE 21 4.635 -11.513 4.404 195 HD11 ILE 21 3HD1 ILE 21 6.895 -9.627 2.294 196 HD12 ILE 21 1HD1 ILE 21 8.443 -9.110 2.964 197 HD13 ILE 21 2HD1 ILE 21 7.271 -7.909 2.421 198 H LYS 22 H LYS 22 8.200 -8.715 6.868 199 HA LYS 22 HA LYS 22 6.313 -6.615 7.706 200 HB2 LYS 22 2HB LYS 22 7.894 -8.149 9.472 201 HB3 LYS 22 1HB LYS 22 8.682 -6.575 9.350 202 HG2 LYS 22 2HG LYS 22 6.610 -5.437 9.913 203 HG3 LYS 22 1HG LYS 22 5.727 -6.964 9.891 204 HD2 LYS 22 2HD LYS 22 7.098 -7.792 11.765 205 HD3 LYS 22 1HD LYS 22 7.989 -6.269 11.788 206 HE2 LYS 22 2HE LYS 22 5.897 -5.050 12.274 207 HE3 LYS 22 1HE LYS 22 5.009 -6.571 12.255 208 HZ1 LYS 22 3HZ LYS 22 7.303 -6.077 14.057 209 HZ2 LYS 22 1HZ LYS 22 6.173 -7.339 14.132 210 HZ3 LYS 22 2HZ LYS 22 5.695 -5.750 14.498 211 H ILE 23 H ILE 23 8.461 -7.341 5.489 212 HA ILE 23 HA ILE 23 10.139 -4.947 5.689 213 HB ILE 23 HB ILE 23 10.164 -7.177 3.639 214 HG12 ILE 23 2HG1 ILE 23 12.457 -7.448 5.066 215 HG13 ILE 23 1HG1 ILE 23 11.388 -6.844 6.331 216 HG21 ILE 23 1HG2 ILE 23 11.113 -5.013 2.861 217 HG22 ILE 23 2HG2 ILE 23 12.353 -6.255 3.028 218 HG23 ILE 23 3HG2 ILE 23 12.189 -5.002 4.258 219 HD11 ILE 23 3HD1 ILE 23 11.280 -9.413 4.823 220 HD12 ILE 23 1HD1 ILE 23 9.740 -8.668 5.247 221 HD13 ILE 23 2HD1 ILE 23 10.896 -9.085 6.512 222 H THR 24 H THR 24 9.247 -3.142 4.967 223 HA THR 24 HA THR 24 7.703 -3.229 2.442 224 HB THR 24 HB THR 24 6.758 -0.985 3.510 225 HG1 THR 24 HG1 THR 24 7.354 -2.611 5.753 226 HG21 THR 24 3HG2 THR 24 5.234 -2.670 2.900 227 HG22 THR 24 1HG2 THR 24 4.981 -2.502 4.637 228 HG23 THR 24 2HG2 THR 24 5.943 -3.841 4.012 229 H PHE 25 H PHE 25 8.445 -2.003 0.818 230 HA PHE 25 HA PHE 25 10.902 -0.539 1.171 231 HB2 PHE 25 2HB PHE 25 9.973 -1.914 -0.908 232 HB3 PHE 25 1HB PHE 25 9.306 -0.342 -1.346 233 HD1 PHE 25 HD1 PHE 25 12.484 -2.014 -0.298 234 HD2 PHE 25 HD2 PHE 25 10.675 1.291 -2.349 235 HE1 PHE 25 HE1 PHE 25 14.715 -1.293 -1.103 236 HE2 PHE 25 HE2 PHE 25 12.904 2.017 -3.154 237 HZ PHE 25 HZ PHE 25 14.926 0.724 -2.530 238 H ALA 26 H ALA 26 10.920 1.392 2.005 239 HA ALA 26 HA ALA 26 8.611 3.189 1.709 240 HB1 ALA 26 3HB ALA 26 10.624 4.465 3.220 241 HB2 ALA 26 1HB ALA 26 10.618 2.777 3.730 242 HB3 ALA 26 2HB ALA 26 9.136 3.729 3.815 243 H LEU 27 H LEU 27 8.597 4.295 -0.110 244 HA LEU 27 HA LEU 27 10.928 5.045 -1.588 245 HB2 LEU 27 2HB LEU 27 8.171 6.267 -1.828 246 HB3 LEU 27 1HB LEU 27 9.439 6.231 -3.054 247 HG LEU 27 HG LEU 27 7.759 3.948 -2.023 248 HD11 LEU 27 1HD1 LEU 27 7.505 3.556 -4.477 249 HD12 LEU 27 2HD1 LEU 27 8.482 4.994 -4.775 250 HD13 LEU 27 3HD1 LEU 27 6.919 5.140 -3.971 251 HD21 LEU 27 3HD2 LEU 27 9.916 2.986 -1.897 252 HD22 LEU 27 1HD2 LEU 27 10.487 3.860 -3.318 253 HD23 LEU 27 2HD2 LEU 27 9.342 2.530 -3.501 254 H ASP 28 H ASP 28 8.803 6.701 0.666 255 HA ASP 28 HA ASP 28 10.878 8.642 1.265 256 HB2 ASP 28 2HB ASP 28 8.320 9.351 -0.143 257 HB3 ASP 28 1HB ASP 28 9.043 10.495 0.987 258 H ALA 29 H ALA 29 10.066 10.150 3.047 259 HA ALA 29 HA ALA 29 9.279 8.691 5.270 260 HB1 ALA 29 3HB ALA 29 10.304 10.841 5.567 261 HB2 ALA 29 1HB ALA 29 8.686 10.941 6.262 262 HB3 ALA 29 2HB ALA 29 9.010 11.645 4.678 263 H THR 30 H THR 30 7.347 10.238 2.793 264 HA THR 30 HA THR 30 4.866 10.341 4.088 265 HB THR 30 HB THR 30 5.282 9.709 1.162 266 HG1 THR 30 HG1 THR 30 5.442 12.146 2.591 267 HG21 THR 30 3HG2 THR 30 3.218 11.502 1.416 268 HG22 THR 30 1HG2 THR 30 3.029 10.527 2.873 269 HG23 THR 30 2HG2 THR 30 3.018 9.755 1.287 270 H PHE 31 H PHE 31 5.849 7.711 1.668 271 HA PHE 31 HA PHE 31 3.815 6.004 2.643 272 HB2 PHE 31 2HB PHE 31 6.226 5.649 0.836 273 HB3 PHE 31 1HB PHE 31 5.018 4.396 1.114 274 HD1 PHE 31 HD1 PHE 31 5.523 7.850 -0.203 275 HD2 PHE 31 HD2 PHE 31 2.921 4.436 -0.001 276 HE1 PHE 31 HE1 PHE 31 4.082 8.842 -1.961 277 HE2 PHE 31 HE2 PHE 31 1.484 5.429 -1.756 278 HZ PHE 31 HZ PHE 31 2.066 7.628 -2.739 279 H ASP 32 H ASP 32 6.100 7.035 4.363 280 HA ASP 32 HA ASP 32 7.386 4.517 5.190 281 HB2 ASP 32 2HB ASP 32 8.566 6.857 5.093 282 HB3 ASP 32 1HB ASP 32 7.774 7.115 6.645 283 H SER 33 H SER 33 5.793 7.217 6.871 284 HA SER 33 HA SER 33 4.943 5.509 9.030 285 HB2 SER 33 2HB SER 33 3.779 7.482 9.862 286 HB3 SER 33 1HB SER 33 5.399 7.928 9.336 287 HG SER 33 HG SER 33 4.454 9.273 8.044 288 H VAL 34 H VAL 34 3.539 6.750 6.049 289 HA VAL 34 HA VAL 34 0.850 5.991 6.645 290 HB VAL 34 HB VAL 34 2.193 6.491 3.982 291 HG11 VAL 34 1HG1 VAL 34 -0.660 7.036 4.170 292 HG12 VAL 34 2HG1 VAL 34 -0.313 5.343 4.514 293 HG13 VAL 34 3HG1 VAL 34 0.211 6.058 2.990 294 HG21 VAL 34 3HG2 VAL 34 0.361 8.357 5.486 295 HG22 VAL 34 1HG2 VAL 34 1.511 8.738 4.204 296 HG23 VAL 34 2HG2 VAL 34 2.093 8.336 5.821 297 H LEU 35 H LEU 35 3.407 4.446 4.604 298 HA LEU 35 HA LEU 35 1.786 2.232 3.917 299 HB2 LEU 35 2HB LEU 35 3.895 2.911 2.750 300 HB3 LEU 35 1HB LEU 35 4.796 2.281 4.130 301 HG LEU 35 HG LEU 35 4.016 0.052 3.742 302 HD11 LEU 35 1HD1 LEU 35 1.745 0.232 3.184 303 HD12 LEU 35 2HD1 LEU 35 2.462 -0.249 1.647 304 HD13 LEU 35 3HD1 LEU 35 2.047 1.440 1.936 305 HD21 LEU 35 3HD2 LEU 35 4.504 1.177 0.974 306 HD22 LEU 35 1HD2 LEU 35 4.980 -0.401 1.602 307 HD23 LEU 35 2HD2 LEU 35 5.789 1.057 2.176 308 H SER 36 H SER 36 4.081 2.768 6.574 309 HA SER 36 HA SER 36 4.012 0.143 7.617 310 HB2 SER 36 2HB SER 36 5.745 1.552 8.391 311 HB3 SER 36 1HB SER 36 4.621 2.830 8.838 312 HG SER 36 HG SER 36 3.964 1.654 10.560 313 H LYS 37 H LYS 37 2.066 3.028 8.405 314 HA LYS 37 HA LYS 37 0.547 1.823 10.466 315 HB2 LYS 37 2HB LYS 37 0.510 4.325 8.979 316 HB3 LYS 37 1HB LYS 37 -1.113 3.749 9.347 317 HG2 LYS 37 2HG LYS 37 -0.566 3.569 11.711 318 HG3 LYS 37 1HG LYS 37 1.116 3.992 11.390 319 HD2 LYS 37 2HD LYS 37 0.489 6.213 10.665 320 HD3 LYS 37 1HD LYS 37 -1.226 5.806 10.746 321 HE2 LYS 37 2HE LYS 37 -0.816 5.295 13.232 322 HE3 LYS 37 1HE LYS 37 0.725 6.129 13.032 323 HZ1 LYS 37 3HZ LYS 37 -0.352 8.033 13.267 324 HZ2 LYS 37 1HZ LYS 37 -1.844 7.232 13.359 325 HZ3 LYS 37 2HZ LYS 37 -1.230 7.710 11.849 326 H ALA 38 H ALA 38 0.003 2.058 6.981 327 HA ALA 38 HA ALA 38 -2.601 0.799 7.151 328 HB1 ALA 38 3HB ALA 38 -0.878 1.890 4.961 329 HB2 ALA 38 1HB ALA 38 -2.553 2.265 5.363 330 HB3 ALA 38 2HB ALA 38 -2.161 0.754 4.544 331 H CYS 39 H CYS 39 0.668 -0.112 6.598 332 HA CYS 39 HA CYS 39 -0.115 -2.939 6.598 333 HB2 CYS 39 2HB CYS 39 -0.064 -2.685 4.276 334 HB3 CYS 39 1HB CYS 39 1.318 -1.596 4.325 335 HG CYS 39 HG CYS 39 1.612 -4.628 5.047 336 H SER 40 H SER 40 0.841 -2.943 8.669 337 HA SER 40 HA SER 40 3.763 -2.587 8.796 338 HB2 SER 40 2HB SER 40 3.536 -2.537 11.151 339 HB3 SER 40 1HB SER 40 2.146 -1.638 10.555 340 HG SER 40 HG SER 40 0.850 -3.349 10.977 341 H GLU 41 H GLU 41 1.396 -4.918 8.463 342 HA GLU 41 HA GLU 41 3.355 -7.096 8.538 343 HB2 GLU 41 2HB GLU 41 1.062 -6.924 10.468 344 HB3 GLU 41 1HB GLU 41 1.679 -8.493 9.951 345 HG2 GLU 41 2HG GLU 41 3.968 -7.773 10.650 346 HG3 GLU 41 1HG GLU 41 3.273 -6.274 11.265 347 H PHE 42 H PHE 42 2.870 -8.864 7.307 348 HA PHE 42 HA PHE 42 0.202 -9.027 6.094 349 HB2 PHE 42 2HB PHE 42 2.601 -8.136 4.705 350 HB3 PHE 42 1HB PHE 42 1.873 -9.548 3.937 351 HD1 PHE 42 HD2 PHE 42 -0.908 -9.362 4.163 352 HD2 PHE 42 HD1 PHE 42 1.889 -6.130 3.749 353 HE1 PHE 42 HE2 PHE 42 -2.696 -7.939 3.208 354 HE2 PHE 42 HE1 PHE 42 0.098 -4.705 2.792 355 HZ PHE 42 HZ PHE 42 -2.193 -5.612 2.522 356 H GLU 43 H GLU 43 -0.442 -11.040 5.540 357 HA GLU 43 HA GLU 43 1.383 -13.244 6.282 358 HB2 GLU 43 2HB GLU 43 -0.566 -14.574 6.745 359 HB3 GLU 43 1HB GLU 43 -0.763 -13.025 7.560 360 HG2 GLU 43 2HG GLU 43 -2.085 -12.252 5.534 361 HG3 GLU 43 1HG GLU 43 -2.052 -13.922 4.972 362 H VAL 44 H VAL 44 2.296 -14.176 4.665 363 HA VAL 44 HA VAL 44 0.788 -14.471 2.120 364 HB VAL 44 HB VAL 44 3.586 -14.724 1.616 365 HG11 VAL 44 1HG1 VAL 44 3.094 -13.216 -0.074 366 HG12 VAL 44 2HG1 VAL 44 2.008 -12.270 0.943 367 HG13 VAL 44 3HG1 VAL 44 1.474 -13.814 0.282 368 HG21 VAL 44 3HG2 VAL 44 4.051 -13.465 3.628 369 HG22 VAL 44 1HG2 VAL 44 2.774 -12.306 3.262 370 HG23 VAL 44 2HG2 VAL 44 4.227 -12.362 2.265 371 H ASP 45 H ASP 45 0.131 -16.339 1.831 372 HA ASP 45 HA ASP 45 1.018 -18.819 2.959 373 HB2 ASP 45 2HB ASP 45 -0.453 -18.462 0.334 374 HB3 ASP 45 1HB ASP 45 -0.324 -19.956 1.261 375 H LYS 46 H LYS 46 2.120 -20.827 1.341 376 HA LYS 46 HA LYS 46 4.393 -19.529 0.225 377 HB2 LYS 46 2HB LYS 46 3.474 -22.396 0.620 378 HB3 LYS 46 1HB LYS 46 5.061 -21.932 0.011 379 HG2 LYS 46 2HG LYS 46 5.631 -20.863 2.095 380 HG3 LYS 46 1HG LYS 46 3.979 -21.019 2.692 381 HD2 LYS 46 2HD LYS 46 5.229 -22.778 3.732 382 HD3 LYS 46 1HD LYS 46 4.263 -23.543 2.473 383 HE2 LYS 46 2HE LYS 46 6.862 -22.607 1.492 384 HE3 LYS 46 1HE LYS 46 7.007 -23.804 2.779 385 HZ1 LYS 46 3HZ LYS 46 6.549 -24.365 0.178 386 HZ2 LYS 46 1HZ LYS 46 4.986 -24.434 0.832 387 HZ3 LYS 46 2HZ LYS 46 6.218 -25.412 1.474 388 H ASP 47 H ASP 47 1.755 -19.142 -1.091 389 HA ASP 47 HA ASP 47 2.431 -20.333 -3.693 390 HB2 ASP 47 2HB ASP 47 -0.110 -20.570 -2.169 391 HB3 ASP 47 1HB ASP 47 -0.256 -20.226 -3.891 392 H VAL 48 H VAL 48 1.941 -17.639 -1.841 393 HA VAL 48 HA VAL 48 0.593 -15.978 -3.769 394 HB VAL 48 HB VAL 48 2.195 -15.136 -1.342 395 HG11 VAL 48 1HG1 VAL 48 -0.028 -13.479 -1.745 396 HG12 VAL 48 2HG1 VAL 48 0.614 -13.766 -3.362 397 HG13 VAL 48 3HG1 VAL 48 1.651 -13.086 -2.112 398 HG21 VAL 48 3HG2 VAL 48 -0.252 -15.046 -0.380 399 HG22 VAL 48 1HG2 VAL 48 0.615 -16.581 -0.395 400 HG23 VAL 48 2HG2 VAL 48 -0.591 -16.239 -1.634 401 H THR 49 H THR 49 1.505 -14.979 -5.426 402 HA THR 49 HA THR 49 4.446 -14.913 -5.592 403 HB THR 49 HB THR 49 4.201 -14.800 -7.960 404 HG1 THR 49 HG1 THR 49 1.736 -14.824 -8.551 405 HG21 THR 49 3HG2 THR 49 3.314 -16.895 -8.357 406 HG22 THR 49 1HG2 THR 49 1.894 -16.601 -7.353 407 HG23 THR 49 2HG2 THR 49 3.447 -16.964 -6.600 408 H LEU 50 H LEU 50 5.526 -13.050 -6.032 409 HA LEU 50 HA LEU 50 5.067 -10.705 -4.879 410 HB2 LEU 50 2HB LEU 50 6.196 -9.541 -6.866 411 HB3 LEU 50 1HB LEU 50 7.080 -10.867 -6.112 412 HG LEU 50 HG LEU 50 5.247 -11.694 -8.277 413 HD11 LEU 50 1HD1 LEU 50 6.889 -10.962 -10.040 414 HD12 LEU 50 2HD1 LEU 50 7.667 -9.952 -8.821 415 HD13 LEU 50 3HD1 LEU 50 5.999 -9.633 -9.297 416 HD21 LEU 50 3HD2 LEU 50 6.992 -13.081 -7.002 417 HD22 LEU 50 1HD2 LEU 50 8.208 -12.204 -7.931 418 HD23 LEU 50 2HD2 LEU 50 7.021 -13.211 -8.761 419 H ASP 51 H ASP 51 3.489 -11.701 -7.876 420 HA ASP 51 HA ASP 51 2.234 -9.275 -8.551 421 HB2 ASP 51 2HB ASP 51 1.432 -12.154 -9.015 422 HB3 ASP 51 1HB ASP 51 0.564 -10.787 -9.707 423 H GLU 52 H GLU 52 1.036 -12.021 -6.609 424 HA GLU 52 HA GLU 52 -1.448 -10.811 -5.939 425 HB2 GLU 52 2HB GLU 52 0.049 -13.220 -5.166 426 HB3 GLU 52 1HB GLU 52 -0.966 -12.560 -3.883 427 HG2 GLU 52 2HG GLU 52 -2.888 -12.527 -5.463 428 HG3 GLU 52 1HG GLU 52 -1.866 -13.271 -6.690 429 H LEU 53 H LEU 53 1.727 -10.890 -4.374 430 HA LEU 53 HA LEU 53 0.987 -9.713 -1.922 431 HB2 LEU 53 2HB LEU 53 3.187 -10.779 -2.334 432 HB3 LEU 53 1HB LEU 53 3.610 -9.457 -3.421 433 HG LEU 53 HG LEU 53 3.109 -7.893 -1.433 434 HD11 LEU 53 1HD1 LEU 53 1.958 -9.319 0.074 435 HD12 LEU 53 2HD1 LEU 53 3.560 -9.122 0.786 436 HD13 LEU 53 3HD1 LEU 53 3.160 -10.599 -0.092 437 HD21 LEU 53 3HD2 LEU 53 5.426 -9.207 -2.275 438 HD22 LEU 53 1HD2 LEU 53 5.421 -9.429 -0.525 439 HD23 LEU 53 2HD2 LEU 53 5.356 -7.805 -1.207 440 H LEU 54 H LEU 54 2.124 -8.292 -4.968 441 HA LEU 54 HA LEU 54 2.061 -5.587 -4.129 442 HB2 LEU 54 2HB LEU 54 2.069 -6.983 -6.780 443 HB3 LEU 54 1HB LEU 54 1.738 -5.252 -6.720 444 HG LEU 54 HG LEU 54 4.039 -6.151 -5.082 445 HD11 LEU 54 1HD1 LEU 54 4.066 -6.254 -8.114 446 HD12 LEU 54 2HD1 LEU 54 4.430 -7.574 -7.006 447 HD13 LEU 54 3HD1 LEU 54 5.521 -6.196 -7.120 448 HD21 LEU 54 3HD2 LEU 54 4.286 -4.048 -7.145 449 HD22 LEU 54 1HD2 LEU 54 4.696 -3.992 -5.431 450 HD23 LEU 54 2HD2 LEU 54 3.026 -3.758 -5.947 451 H ASP 55 H ASP 55 -0.349 -7.685 -5.647 452 HA ASP 55 HA ASP 55 -2.309 -5.730 -6.117 453 HB2 ASP 55 2HB ASP 55 -2.147 -8.303 -6.761 454 HB3 ASP 55 1HB ASP 55 -3.140 -8.481 -5.317 455 H VAL 56 H VAL 56 -1.947 -7.958 -3.277 456 HA VAL 56 HA VAL 56 -4.121 -6.851 -1.869 457 HB VAL 56 HB VAL 56 -1.715 -8.443 -0.947 458 HG11 VAL 56 1HG1 VAL 56 -2.705 -7.240 0.935 459 HG12 VAL 56 2HG1 VAL 56 -3.135 -8.946 1.039 460 HG13 VAL 56 3HG1 VAL 56 -4.318 -7.773 0.460 461 HG21 VAL 56 3HG2 VAL 56 -4.306 -9.763 -0.919 462 HG22 VAL 56 1HG2 VAL 56 -2.813 -10.261 -1.716 463 HG23 VAL 56 2HG2 VAL 56 -3.925 -9.164 -2.534 464 H VAL 57 H VAL 57 -0.681 -6.127 -1.999 465 HA VAL 57 HA VAL 57 -0.563 -4.454 0.282 466 HB VAL 57 HB VAL 57 1.113 -4.822 -2.182 467 HG11 VAL 57 1HG1 VAL 57 1.362 -2.486 -1.919 468 HG12 VAL 57 2HG1 VAL 57 2.713 -3.161 -1.009 469 HG13 VAL 57 3HG1 VAL 57 1.278 -2.585 -0.161 470 HG21 VAL 57 3HG2 VAL 57 1.432 -6.442 -0.445 471 HG22 VAL 57 1HG2 VAL 57 1.455 -5.194 0.803 472 HG23 VAL 57 2HG2 VAL 57 2.796 -5.324 -0.336 473 H LEU 58 H LEU 58 -1.013 -3.751 -3.175 474 HA LEU 58 HA LEU 58 -1.242 -0.947 -2.874 475 HB2 LEU 58 2HB LEU 58 -0.787 -2.171 -5.027 476 HB3 LEU 58 1HB LEU 58 -2.484 -2.653 -5.043 477 HG LEU 58 HG LEU 58 -3.121 -0.230 -4.925 478 HD11 LEU 58 1HD1 LEU 58 -0.827 1.045 -5.855 479 HD12 LEU 58 2HD1 LEU 58 -0.222 -0.014 -4.584 480 HD13 LEU 58 3HD1 LEU 58 -1.482 1.164 -4.221 481 HD21 LEU 58 3HD2 LEU 58 -1.529 -1.389 -7.196 482 HD22 LEU 58 1HD2 LEU 58 -2.099 0.277 -7.307 483 HD23 LEU 58 2HD2 LEU 58 -3.255 -1.039 -7.110 484 H ASP 59 H ASP 59 -3.637 -3.559 -2.992 485 HA ASP 59 HA ASP 59 -5.938 -1.918 -2.870 486 HB2 ASP 59 2HB ASP 59 -5.361 -4.804 -2.311 487 HB3 ASP 59 1HB ASP 59 -6.914 -4.129 -1.825 488 H ALA 60 H ALA 60 -3.986 -3.475 -0.348 489 HA ALA 60 HA ALA 60 -5.620 -2.828 1.848 490 HB1 ALA 60 3HB ALA 60 -3.702 -3.312 3.220 491 HB2 ALA 60 1HB ALA 60 -2.601 -3.048 1.869 492 HB3 ALA 60 2HB ALA 60 -3.688 -4.437 1.864 493 H VAL 61 H VAL 61 -2.770 -1.144 0.533 494 HA VAL 61 HA VAL 61 -2.819 1.037 2.319 495 HB VAL 61 HB VAL 61 -1.744 0.803 -0.501 496 HG11 VAL 61 1HG1 VAL 61 -2.135 3.159 -0.008 497 HG12 VAL 61 2HG1 VAL 61 -0.407 2.832 0.119 498 HG13 VAL 61 3HG1 VAL 61 -1.383 2.985 1.578 499 HG21 VAL 61 3HG2 VAL 61 -0.793 -0.640 1.383 500 HG22 VAL 61 1HG2 VAL 61 -0.275 0.862 2.147 501 HG23 VAL 61 2HG2 VAL 61 0.366 0.410 0.568 502 H GLU 62 H GLU 62 -4.347 0.523 -0.811 503 HA GLU 62 HA GLU 62 -5.385 3.158 -1.107 504 HB2 GLU 62 2HB GLU 62 -5.147 1.481 -2.957 505 HB3 GLU 62 1HB GLU 62 -6.512 0.601 -2.269 506 HG2 GLU 62 2HG GLU 62 -7.962 2.543 -2.554 507 HG3 GLU 62 1HG GLU 62 -6.604 3.508 -3.127 508 H SER 63 H SER 63 -6.607 0.210 0.401 509 HA SER 63 HA SER 63 -9.247 1.169 0.883 510 HB2 SER 63 2HB SER 63 -9.564 -0.962 1.501 511 HB3 SER 63 1HB SER 63 -7.853 -1.256 1.223 512 HG SER 63 HG SER 63 -7.467 -0.650 3.375 513 H THR 64 H THR 64 -6.278 1.112 2.833 514 HA THR 64 HA THR 64 -7.543 2.221 5.163 515 HB THR 64 HB THR 64 -4.766 2.752 5.270 516 HG1 THR 64 HG1 THR 64 -4.665 0.149 4.806 517 HG21 THR 64 3HG2 THR 64 -6.648 0.717 6.433 518 HG22 THR 64 1HG2 THR 64 -5.832 2.063 7.230 519 HG23 THR 64 2HG2 THR 64 -4.920 0.625 6.774 520 H LEU 65 H LEU 65 -5.380 3.531 2.657 521 HA LEU 65 HA LEU 65 -6.058 6.247 3.586 522 HB2 LEU 65 2HB LEU 65 -3.598 5.252 3.215 523 HB3 LEU 65 1HB LEU 65 -3.914 5.799 1.569 524 HG LEU 65 HG LEU 65 -4.699 8.012 2.686 525 HD11 LEU 65 1HD1 LEU 65 -3.226 6.615 4.924 526 HD12 LEU 65 2HD1 LEU 65 -4.796 7.417 4.980 527 HD13 LEU 65 3HD1 LEU 65 -3.321 8.374 4.841 528 HD21 LEU 65 3HD2 LEU 65 -2.040 8.452 3.120 529 HD22 LEU 65 1HD2 LEU 65 -2.775 8.408 1.518 530 HD23 LEU 65 2HD2 LEU 65 -1.973 6.975 2.161 531 H SER 66 H SER 66 -8.175 5.821 2.484 532 HA SER 66 HA SER 66 -8.211 5.755 -0.400 533 HB2 SER 66 2HB SER 66 -10.130 5.499 1.749 534 HB3 SER 66 1HB SER 66 -10.721 6.613 0.520 535 HG SER 66 HG SER 66 -10.640 5.041 -0.961 536 HA PRO 67 HA PRO 67 -9.461 10.350 0.161 537 HB2 PRO 67 2HB PRO 67 -9.159 11.504 2.609 538 HB3 PRO 67 1HB PRO 67 -10.623 10.626 2.134 539 HG2 PRO 67 2HG PRO 67 -8.370 9.756 3.860 540 HG3 PRO 67 1HG PRO 67 -10.101 9.409 3.997 541 HD2 PRO 67 2HD PRO 67 -8.226 7.650 2.961 542 HD3 PRO 67 1HD PRO 67 -9.967 7.581 2.620 543 H CYS 68 H CYS 68 -7.151 9.691 -0.818 544 HA CYS 68 HA CYS 68 -4.961 11.079 0.543 545 HB2 CYS 68 2HB CYS 68 -4.252 10.116 -2.071 546 HB3 CYS 68 1HB CYS 68 -3.667 9.580 -0.498 547 HG CYS 68 HG CYS 68 -4.983 7.523 -0.864 548 H LYS 69 H LYS 69 -7.080 11.403 -2.223 549 HA LYS 69 HA LYS 69 -5.682 13.467 -3.575 550 HB2 LYS 69 2HB LYS 69 -7.357 12.270 -4.780 551 HB3 LYS 69 1HB LYS 69 -8.585 12.625 -3.567 552 HG2 LYS 69 2HG LYS 69 -8.444 15.026 -4.120 553 HG3 LYS 69 1HG LYS 69 -7.208 14.677 -5.329 554 HD2 LYS 69 2HD LYS 69 -8.805 13.284 -6.575 555 HD3 LYS 69 1HD LYS 69 -10.038 13.586 -5.350 556 HE2 LYS 69 2HE LYS 69 -9.923 16.008 -5.835 557 HE3 LYS 69 1HE LYS 69 -8.706 15.698 -7.074 558 HZ1 LYS 69 3HZ LYS 69 -11.569 15.059 -7.077 559 HZ2 LYS 69 1HZ LYS 69 -10.511 14.060 -7.947 560 HZ3 LYS 69 2HZ LYS 69 -10.608 15.716 -8.314 561 H GLU 70 H GLU 70 -7.460 13.448 -0.659 562 HA GLU 70 HA GLU 70 -8.411 16.147 -0.723 563 HB2 GLU 70 2HB GLU 70 -7.952 14.207 1.550 564 HB3 GLU 70 1HB GLU 70 -8.696 15.795 1.748 565 HG2 GLU 70 2HG GLU 70 -10.478 15.191 0.185 566 HG3 GLU 70 1HG GLU 70 -9.717 13.631 -0.117 567 H HIS 71 H HIS 71 -5.513 14.562 0.565 568 HA HIS 71 HA HIS 71 -4.493 17.077 1.619 569 HB2 HIS 71 2HB HIS 71 -3.277 14.309 1.489 570 HB3 HIS 71 1HB HIS 71 -2.531 15.700 2.279 571 HD1 HIS 71 HD1 HIS 71 -4.170 16.874 4.174 572 HD2 HIS 71 HD2 HIS 71 -4.975 12.920 3.150 573 HE1 HIS 71 HE1 HIS 71 -5.605 15.933 6.036 574 H ASP 72 H ASP 72 -3.474 18.501 0.332 575 HA ASP 72 HA ASP 72 -2.752 17.996 -2.336 576 HB2 ASP 72 2HB ASP 72 -3.157 20.250 -1.650 577 HB3 ASP 72 1HB ASP 72 -1.923 20.159 -0.395 578 H VAL 73 H VAL 73 -0.835 17.971 0.647 579 HA VAL 73 HA VAL 73 1.705 17.675 -0.530 580 HB VAL 73 HB VAL 73 0.627 16.748 2.141 581 HG11 VAL 73 1HG1 VAL 73 3.216 16.850 2.633 582 HG12 VAL 73 2HG1 VAL 73 3.356 16.560 0.900 583 HG13 VAL 73 3HG1 VAL 73 2.514 15.396 1.923 584 HG21 VAL 73 3HG2 VAL 73 0.843 19.265 1.404 585 HG22 VAL 73 1HG2 VAL 73 2.568 18.995 1.654 586 HG23 VAL 73 2HG2 VAL 73 1.438 18.773 2.989 587 H ILE 74 H ILE 74 -0.625 15.242 0.614 588 HA ILE 74 HA ILE 74 1.010 13.058 -0.380 589 HB ILE 74 HB ILE 74 -1.813 12.967 0.703 590 HG12 ILE 74 2HG1 ILE 74 0.853 12.639 2.127 591 HG13 ILE 74 1HG1 ILE 74 -0.252 14.000 2.324 592 HG21 ILE 74 1HG2 ILE 74 -0.253 10.652 1.275 593 HG22 ILE 74 2HG2 ILE 74 -0.035 11.012 -0.436 594 HG23 ILE 74 3HG2 ILE 74 -1.656 10.772 0.213 595 HD11 ILE 74 3HD1 ILE 74 -0.425 11.260 3.419 596 HD12 ILE 74 1HD1 ILE 74 -1.939 11.904 2.783 597 HD13 ILE 74 2HD1 ILE 74 -1.077 12.770 4.054 598 H GLY 75 H GLY 75 -1.752 14.935 -1.422 599 HA2 GLY 75 2HA GLY 75 -3.228 13.709 -3.181 600 HA3 GLY 75 1HA GLY 75 -2.374 15.155 -3.711 601 H THR 76 H THR 76 -0.213 14.837 -4.634 602 HA THR 76 HA THR 76 0.110 13.534 -6.864 603 HB THR 76 HB THR 76 2.540 12.815 -5.711 604 HG1 THR 76 HG1 THR 76 2.330 13.720 -3.804 605 HG21 THR 76 3HG2 THR 76 3.327 14.915 -6.721 606 HG22 THR 76 1HG2 THR 76 1.663 15.488 -6.836 607 HG23 THR 76 2HG2 THR 76 2.183 14.097 -7.787 608 H LYS 77 H LYS 77 0.208 11.806 -3.777 609 HA LYS 77 HA LYS 77 1.080 9.305 -4.634 610 HB2 LYS 77 2HB LYS 77 0.702 8.837 -2.471 611 HB3 LYS 77 1HB LYS 77 -0.128 10.368 -2.289 612 HG2 LYS 77 2HG LYS 77 -2.243 9.411 -2.817 613 HG3 LYS 77 1HG LYS 77 -1.505 7.919 -3.395 614 HD2 LYS 77 2HD LYS 77 -1.267 8.871 -0.537 615 HD3 LYS 77 1HD LYS 77 -2.535 7.776 -1.088 616 HE2 LYS 77 2HE LYS 77 -0.481 6.445 -2.109 617 HE3 LYS 77 1HE LYS 77 0.408 7.301 -0.850 618 HZ1 LYS 77 3HZ LYS 77 -0.267 5.525 0.345 619 HZ2 LYS 77 1HZ LYS 77 -1.642 5.246 -0.609 620 HZ3 LYS 77 2HZ LYS 77 -1.655 6.481 0.557 621 H VAL 78 H VAL 78 -2.029 10.885 -5.122 622 HA VAL 78 HA VAL 78 -3.494 8.558 -5.841 623 HB VAL 78 HB VAL 78 -3.859 11.520 -6.086 624 HG11 VAL 78 1HG1 VAL 78 -6.087 10.949 -7.248 625 HG12 VAL 78 2HG1 VAL 78 -5.337 9.409 -7.664 626 HG13 VAL 78 3HG1 VAL 78 -4.633 10.918 -8.245 627 HG21 VAL 78 3HG2 VAL 78 -4.726 10.756 -4.072 628 HG22 VAL 78 1HG2 VAL 78 -5.168 9.183 -4.738 629 HG23 VAL 78 2HG2 VAL 78 -6.149 10.601 -5.103 630 H CYS 79 H CYS 79 -1.798 11.080 -7.696 631 HA CYS 79 HA CYS 79 -2.407 10.088 -10.262 632 HB2 CYS 79 2HB CYS 79 -0.258 11.867 -9.154 633 HB3 CYS 79 1HB CYS 79 -0.166 11.322 -10.828 634 HG CYS 79 HG CYS 79 -2.232 13.306 -9.702 635 H ALA 80 H ALA 80 0.348 9.498 -8.100 636 HA ALA 80 HA ALA 80 1.757 7.778 -9.867 637 HB1 ALA 80 3HB ALA 80 1.859 8.383 -6.940 638 HB2 ALA 80 1HB ALA 80 3.121 8.534 -8.164 639 HB3 ALA 80 2HB ALA 80 2.692 6.945 -7.533 640 H LEU 81 H LEU 81 -0.658 7.225 -7.341 641 HA LEU 81 HA LEU 81 -0.550 4.405 -7.322 642 HB2 LEU 81 2HB LEU 81 -1.669 5.593 -5.537 643 HB3 LEU 81 1HB LEU 81 -2.809 6.314 -6.673 644 HG LEU 81 HG LEU 81 -3.639 4.035 -7.245 645 HD11 LEU 81 1HD1 LEU 81 -1.344 3.312 -5.556 646 HD12 LEU 81 2HD1 LEU 81 -2.188 2.361 -6.779 647 HD13 LEU 81 3HD1 LEU 81 -2.826 2.452 -5.138 648 HD21 LEU 81 3HD2 LEU 81 -4.250 5.570 -5.050 649 HD22 LEU 81 1HD2 LEU 81 -3.890 4.013 -4.303 650 HD23 LEU 81 2HD2 LEU 81 -5.142 4.130 -5.539 651 H LEU 82 H LEU 82 -2.567 6.681 -9.158 652 HA LEU 82 HA LEU 82 -4.105 4.741 -10.516 653 HB2 LEU 82 2HB LEU 82 -4.498 7.282 -10.329 654 HB3 LEU 82 1HB LEU 82 -3.371 7.425 -11.679 655 HG LEU 82 HG LEU 82 -4.788 5.866 -13.002 656 HD11 LEU 82 1HD1 LEU 82 -6.350 5.870 -10.433 657 HD12 LEU 82 2HD1 LEU 82 -5.936 4.514 -11.482 658 HD13 LEU 82 3HD1 LEU 82 -7.199 5.646 -11.961 659 HD21 LEU 82 3HD2 LEU 82 -6.190 8.293 -11.835 660 HD22 LEU 82 1HD2 LEU 82 -6.717 7.444 -13.287 661 HD23 LEU 82 2HD2 LEU 82 -5.155 8.262 -13.263 662 H ASP 83 H ASP 83 -1.073 6.384 -11.345 663 HA ASP 83 HA ASP 83 -0.775 5.279 -13.931 664 HB2 ASP 83 2HB ASP 83 1.073 6.536 -11.933 665 HB3 ASP 83 1HB ASP 83 1.754 5.728 -13.342 666 H ARG 84 H ARG 84 0.254 4.176 -10.728 667 HA ARG 84 HA ARG 84 1.768 1.961 -11.627 668 HB2 ARG 84 2HB ARG 84 0.447 2.605 -9.002 669 HB3 ARG 84 1HB ARG 84 1.328 1.098 -9.262 670 HG2 ARG 84 2HG ARG 84 3.348 2.343 -9.860 671 HG3 ARG 84 1HG ARG 84 2.480 3.869 -9.704 672 HD2 ARG 84 2HD ARG 84 2.120 3.478 -7.334 673 HD3 ARG 84 1HD ARG 84 2.839 1.874 -7.453 674 HE ARG 84 HE ARG 84 4.872 3.373 -8.304 675 HH11 ARG 84 1HH2 ARG 84 2.654 3.857 -5.686 676 HH12 ARG 84 2HH2 ARG 84 3.796 4.705 -4.699 677 HH21 ARG 84 1HH1 ARG 84 6.369 4.475 -7.011 678 HH22 ARG 84 2HH1 ARG 84 5.896 5.056 -5.449 679 H LEU 85 H LEU 85 -1.621 2.359 -10.759 680 HA LEU 85 HA LEU 85 -2.266 -0.426 -11.054 681 HB2 LEU 85 2HB LEU 85 -3.537 1.235 -9.631 682 HB3 LEU 85 1HB LEU 85 -4.169 1.923 -11.127 683 HG LEU 85 HG LEU 85 -4.610 -0.783 -11.487 684 HD11 LEU 85 1HD1 LEU 85 -5.327 -0.125 -8.617 685 HD12 LEU 85 2HD1 LEU 85 -3.933 -1.103 -9.077 686 HD13 LEU 85 3HD1 LEU 85 -5.562 -1.661 -9.454 687 HD21 LEU 85 3HD2 LEU 85 -6.302 1.511 -10.519 688 HD22 LEU 85 1HD2 LEU 85 -7.008 -0.097 -10.686 689 HD23 LEU 85 2HD2 LEU 85 -6.313 0.711 -12.089 690 H ALA 86 H ALA 86 -1.849 2.228 -13.203 691 HA ALA 86 HA ALA 86 -3.614 1.507 -15.281 692 HB1 ALA 86 3HB ALA 86 -2.143 2.873 -16.723 693 HB2 ALA 86 1HB ALA 86 -0.948 2.931 -15.428 694 HB3 ALA 86 2HB ALA 86 -2.523 3.691 -15.208 695 H GLY 87 H GLY 87 -0.206 0.628 -14.698 696 HA2 GLY 87 2HA GLY 87 -0.469 -1.932 -15.884 697 HA3 GLY 87 1HA GLY 87 0.247 -0.823 -17.048 698 H ASP 88 H ASP 88 1.967 0.688 -15.745 699 HA ASP 88 HA ASP 88 4.024 -1.192 -14.907 700 HB2 ASP 88 2HB ASP 88 3.996 1.785 -15.417 701 HB3 ASP 88 1HB ASP 88 5.408 0.952 -14.771 702 H TYR 89 H TYR 89 4.075 -1.855 -12.846 703 HA TYR 89 HA TYR 89 3.292 0.059 -10.740 704 HB2 TYR 89 2HB TYR 89 3.253 -2.232 -9.393 705 HB3 TYR 89 1HB TYR 89 1.891 -1.740 -10.390 706 HD1 TYR 89 HD2 TYR 89 1.514 -2.725 -12.607 707 HD2 TYR 89 HD1 TYR 89 4.704 -4.110 -10.082 708 HE1 TYR 89 HE2 TYR 89 1.765 -4.747 -14.020 709 HE2 TYR 89 HE1 TYR 89 4.954 -6.119 -11.495 710 HH TYR 89 HH TYR 89 4.157 -6.492 -14.321 711 H VAL 90 H VAL 90 4.905 -2.690 -9.603 712 HA VAL 90 HA VAL 90 7.575 -1.580 -9.735 713 HB VAL 90 HB VAL 90 7.455 -2.043 -7.043 714 HG11 VAL 90 1HG1 VAL 90 7.141 0.442 -8.714 715 HG12 VAL 90 2HG1 VAL 90 8.544 -0.107 -7.804 716 HG13 VAL 90 3HG1 VAL 90 7.148 0.550 -6.956 717 HG21 VAL 90 3HG2 VAL 90 4.857 -0.670 -7.818 718 HG22 VAL 90 1HG2 VAL 90 5.447 -0.936 -6.178 719 HG23 VAL 90 2HG2 VAL 90 4.974 -2.306 -7.179 720 H TYR 91 H TYR 91 8.739 -3.311 -10.298 721 HA TYR 91 HA TYR 91 7.839 -6.009 -9.843 722 HB2 TYR 91 2HB TYR 91 10.618 -5.173 -10.683 723 HB3 TYR 91 1HB TYR 91 9.759 -6.665 -11.072 724 HD1 TYR 91 HD2 TYR 91 7.615 -6.495 -12.478 725 HD2 TYR 91 HD1 TYR 91 10.446 -3.287 -12.091 726 HE1 TYR 91 HE2 TYR 91 6.683 -5.426 -14.511 727 HE2 TYR 91 HE1 TYR 91 9.511 -2.216 -14.120 728 HH TYR 91 HH TYR 91 7.954 -2.309 -15.695 729 H LEU 92 H LEU 92 9.064 -7.703 -8.456 730 HA LEU 92 HA LEU 92 10.844 -6.500 -6.526 731 HB2 LEU 92 2HB LEU 92 8.744 -6.358 -5.370 732 HB3 LEU 92 1HB LEU 92 8.259 -7.956 -5.933 733 HG LEU 92 HG LEU 92 10.773 -7.667 -4.308 734 HD11 LEU 92 1HD1 LEU 92 8.130 -6.950 -3.405 735 HD12 LEU 92 2HD1 LEU 92 9.644 -6.951 -2.499 736 HD13 LEU 92 3HD1 LEU 92 8.659 -8.411 -2.574 737 HD21 LEU 92 3HD2 LEU 92 8.968 -9.797 -5.247 738 HD22 LEU 92 1HD2 LEU 92 9.385 -9.935 -3.540 739 HD23 LEU 92 2HD2 LEU 92 10.659 -9.895 -4.756 740 H PHE 93 H PHE 93 12.480 -7.917 -6.051 741 HA PHE 93 HA PHE 93 12.114 -10.772 -6.657 742 HB2 PHE 93 2HB PHE 93 14.706 -10.052 -7.619 743 HB3 PHE 93 1HB PHE 93 13.366 -10.769 -8.511 744 HD1 PHE 93 HD1 PHE 93 14.968 -7.583 -7.508 745 HD2 PHE 93 HD2 PHE 93 11.912 -9.435 -9.891 746 HE1 PHE 93 HE1 PHE 93 14.625 -5.452 -8.730 747 HE2 PHE 93 HE2 PHE 93 11.575 -7.307 -11.110 748 HZ PHE 93 HZ PHE 93 12.924 -5.315 -10.527 749 H ASP 94 H ASP 94 13.938 -12.097 -5.876 750 HA ASP 94 HA ASP 94 14.712 -11.237 -3.228 751 HB2 ASP 94 2HB ASP 94 15.642 -13.484 -3.006 752 HB3 ASP 94 1HB ASP 94 14.019 -13.565 -3.686 753 H GLU 95 H GLU 95 17.136 -12.128 -2.710 754 HA GLU 95 HA GLU 95 18.862 -10.222 -3.994 755 HB2 GLU 95 2HB GLU 95 19.379 -12.381 -1.938 756 HB3 GLU 95 1HB GLU 95 20.602 -11.237 -2.492 757 HG2 GLU 95 2HG GLU 95 19.242 -9.356 -1.725 758 HG3 GLU 95 1HG GLU 95 17.948 -10.453 -1.251 759 H GLY 96 H GLY 96 18.008 -11.755 -6.027 760 HA2 GLY 96 2HA GLY 96 20.472 -12.999 -6.953 761 HA3 GLY 96 1HA GLY 96 19.077 -14.070 -6.850 762 H GLY 97 H GLY 97 16.992 -12.723 -7.737 763 HA2 GLY 97 2HA GLY 97 16.762 -10.932 -9.634 764 HA3 GLY 97 1HA GLY 97 17.683 -12.135 -10.533 765 H ASP 98 H ASP 98 16.271 -14.231 -8.811 766 HA ASP 98 HA ASP 98 14.174 -14.806 -10.675 767 HB2 ASP 98 2HB ASP 98 15.182 -16.079 -8.145 768 HB3 ASP 98 1HB ASP 98 13.691 -16.634 -8.891 769 H GLU 99 H GLU 99 12.019 -14.509 -10.506 770 HA GLU 99 HA GLU 99 11.039 -12.618 -8.581 771 HB2 GLU 99 2HB GLU 99 9.659 -14.272 -10.704 772 HB3 GLU 99 1HB GLU 99 8.834 -13.081 -9.704 773 HG2 GLU 99 2HG GLU 99 10.315 -11.315 -10.527 774 HG3 GLU 99 1HG GLU 99 11.218 -12.491 -11.480 775 H VAL 100 H VAL 100 11.319 -13.593 -6.560 776 HA VAL 100 HA VAL 100 9.211 -15.485 -5.849 777 HB VAL 100 HB VAL 100 12.104 -16.132 -5.887 778 HG11 VAL 100 1HG1 VAL 100 11.808 -15.923 -3.477 779 HG12 VAL 100 2HG1 VAL 100 11.855 -17.635 -3.897 780 HG13 VAL 100 3HG1 VAL 100 10.313 -16.857 -3.546 781 HG21 VAL 100 3HG2 VAL 100 10.926 -17.593 -7.221 782 HG22 VAL 100 1HG2 VAL 100 9.455 -17.455 -6.259 783 HG23 VAL 100 2HG2 VAL 100 10.783 -18.471 -5.700 784 H ILE 101 H ILE 101 8.684 -15.470 -3.637 785 HA ILE 101 HA ILE 101 9.459 -13.004 -2.270 786 HB ILE 101 HB ILE 101 7.334 -15.082 -1.699 787 HG12 ILE 101 2HG1 ILE 101 5.954 -12.871 -2.072 788 HG13 ILE 101 1HG1 ILE 101 7.407 -12.328 -2.911 789 HG21 ILE 101 1HG2 ILE 101 8.121 -12.576 -0.183 790 HG22 ILE 101 2HG2 ILE 101 8.074 -14.229 0.432 791 HG23 ILE 101 3HG2 ILE 101 6.573 -13.396 0.029 792 HD11 ILE 101 3HD1 ILE 101 5.367 -13.889 -3.998 793 HD12 ILE 101 1HD1 ILE 101 6.666 -15.040 -3.688 794 HD13 ILE 101 2HD1 ILE 101 6.962 -13.627 -4.700 795 H ALA 102 H ALA 102 10.976 -12.966 -0.761 796 HA ALA 102 HA ALA 102 11.439 -15.342 0.905 797 HB1 ALA 102 3HB ALA 102 13.543 -15.718 0.183 798 HB2 ALA 102 1HB ALA 102 13.925 -13.997 0.140 799 HB3 ALA 102 2HB ALA 102 13.102 -14.754 -1.225 800 HA PRO 103 HA PRO 103 12.166 -12.771 4.392 801 HB2 PRO 103 2HB PRO 103 15.118 -13.209 4.300 802 HB3 PRO 103 1HB PRO 103 13.979 -13.470 5.635 803 HG2 PRO 103 2HG PRO 103 14.991 -15.503 4.236 804 HG3 PRO 103 1HG PRO 103 13.333 -15.528 4.861 805 HD2 PRO 103 2HD PRO 103 14.283 -15.148 2.061 806 HD3 PRO 103 1HD PRO 103 12.770 -15.868 2.654 807 H ARG 104 H ARG 104 14.575 -12.291 1.834 808 HA ARG 104 HA ARG 104 14.436 -9.372 2.321 809 HB2 ARG 104 2HB ARG 104 16.810 -10.940 1.283 810 HB3 ARG 104 1HB ARG 104 16.751 -9.202 1.582 811 HG2 ARG 104 2HG ARG 104 17.194 -9.498 3.769 812 HG3 ARG 104 1HG ARG 104 15.866 -10.647 3.931 813 HD2 ARG 104 2HD ARG 104 17.612 -12.066 4.400 814 HD3 ARG 104 1HD ARG 104 17.593 -12.236 2.648 815 HE ARG 104 HE ARG 104 19.280 -10.129 3.071 816 HH11 ARG 104 1HH2 ARG 104 19.026 -13.362 4.285 817 HH12 ARG 104 2HH2 ARG 104 20.729 -13.547 4.538 818 HH21 ARG 104 1HH1 ARG 104 21.513 -10.367 3.401 819 HH22 ARG 104 2HH1 ARG 104 22.136 -11.853 4.038 820 H MET 105 H MET 105 12.929 -8.857 0.793 821 HA MET 105 HA MET 105 13.546 -9.598 -2.006 822 HB2 MET 105 2HB MET 105 10.946 -8.750 -2.071 823 HB3 MET 105 1HB MET 105 11.443 -10.436 -1.938 824 HG2 MET 105 2HG MET 105 11.072 -10.499 0.373 825 HG3 MET 105 1HG MET 105 11.181 -8.749 0.539 826 HE1 MET 105 3HE MET 105 7.818 -7.455 0.378 827 HE2 MET 105 1HE MET 105 9.394 -7.058 -0.318 828 HE3 MET 105 2HE MET 105 9.284 -7.650 1.338 829 H TYR 106 H TYR 106 13.849 -8.001 -3.450 830 HA TYR 106 HA TYR 106 13.807 -5.240 -2.468 831 HB2 TYR 106 2HB TYR 106 15.876 -5.920 -3.516 832 HB3 TYR 106 1HB TYR 106 15.014 -6.507 -4.939 833 HD1 TYR 106 HD1 TYR 106 15.470 -3.393 -2.895 834 HD2 TYR 106 HD2 TYR 106 14.724 -5.082 -6.773 835 HE1 TYR 106 HE1 TYR 106 15.588 -1.132 -3.904 836 HE2 TYR 106 HE2 TYR 106 14.842 -2.820 -7.791 837 HH TYR 106 HH TYR 106 15.411 0.065 -5.756 838 H CYS 107 H CYS 107 11.847 -4.334 -2.676 839 HA CYS 107 HA CYS 107 10.249 -4.850 -5.089 840 HB2 CYS 107 2HB CYS 107 8.931 -5.107 -3.151 841 HB3 CYS 107 1HB CYS 107 9.619 -3.677 -2.387 842 HG CYS 107 HG CYS 107 7.287 -3.006 -3.380 843 H SER 108 H SER 108 10.342 -3.462 -6.721 844 HA SER 108 HA SER 108 10.096 -0.670 -6.467 845 HB2 SER 108 2HB SER 108 12.310 -0.507 -5.669 846 HB3 SER 108 1HB SER 108 12.894 -1.730 -6.790 847 HG SER 108 HG SER 108 13.349 0.518 -7.352 848 H PHE 109 H PHE 109 10.480 0.453 -8.591 849 HA PHE 109 HA PHE 109 9.496 -1.251 -10.737 850 HB2 PHE 109 2HB PHE 109 9.002 0.773 -11.898 851 HB3 PHE 109 1HB PHE 109 8.591 1.073 -10.210 852 HD1 PHE 109 HD2 PHE 109 10.259 2.296 -8.732 853 HD2 PHE 109 HD1 PHE 109 10.686 2.044 -12.999 854 HE1 PHE 109 HE2 PHE 109 11.857 4.192 -8.686 855 HE2 PHE 109 HE1 PHE 109 12.285 3.936 -12.953 856 HZ PHE 109 HZ PHE 109 12.870 5.011 -10.797 857 H SER 110 H SER 110 12.307 -1.469 -9.714 858 HA SER 110 HA SER 110 13.716 -0.880 -12.245 859 HB2 SER 110 2HB SER 110 14.767 -0.893 -9.411 860 HB3 SER 110 1HB SER 110 15.790 -0.803 -10.842 861 HG SER 110 HG SER 110 15.430 1.269 -10.549 862 H ALA 111 H ALA 111 14.247 -2.631 -13.330 863 HA ALA 111 HA ALA 111 13.833 -5.263 -12.548 864 HB1 ALA 111 3HB ALA 111 15.785 -4.177 -14.592 865 HB2 ALA 111 1HB ALA 111 14.109 -4.639 -14.885 866 HB3 ALA 111 2HB ALA 111 15.301 -5.866 -14.461 867 HA PRO 112 HA PRO 112 17.043 -6.645 -9.907 868 HB2 PRO 112 2HB PRO 112 17.910 -8.585 -12.006 869 HB3 PRO 112 1HB PRO 112 17.461 -8.877 -10.315 870 HG2 PRO 112 2HG PRO 112 15.822 -9.490 -12.329 871 HG3 PRO 112 1HG PRO 112 15.215 -8.898 -10.773 872 HD2 PRO 112 2HD PRO 112 15.382 -7.481 -13.388 873 HD3 PRO 112 1HD PRO 112 14.229 -7.260 -12.054 874 H ASP 113 H ASP 113 18.169 -6.570 -13.295 875 HA ASP 113 HA ASP 113 20.889 -5.981 -12.600 876 HB2 ASP 113 2HB ASP 113 21.121 -5.530 -15.058 877 HB3 ASP 113 1HB ASP 113 20.469 -7.119 -14.676 878 H ASP 114 H ASP 114 18.138 -4.198 -13.593 879 HA ASP 114 HA ASP 114 17.622 -1.906 -13.663 880 HB2 ASP 114 2HB ASP 114 18.234 -2.250 -11.214 881 HB3 ASP 114 1HB ASP 114 19.835 -1.637 -11.615 Start of MODEL 2 1 HA2 GLY 1 2HA GLY 1 -13.087 -21.365 1.851 2 HA3 GLY 1 1HA GLY 1 -11.799 -22.091 2.817 3 H LYS 2 H LYS 2 -13.068 -19.378 4.343 4 HA LYS 2 HA LYS 2 -14.266 -20.960 6.428 5 HB2 LYS 2 2HB LYS 2 -13.810 -18.032 5.968 6 HB3 LYS 2 1HB LYS 2 -14.901 -18.563 7.249 7 HG2 LYS 2 2HG LYS 2 -13.153 -19.880 8.281 8 HG3 LYS 2 1HG LYS 2 -12.061 -19.568 6.931 9 HD2 LYS 2 2HD LYS 2 -11.475 -18.085 8.740 10 HD3 LYS 2 1HD LYS 2 -12.204 -17.138 7.448 11 HE2 LYS 2 2HE LYS 2 -14.229 -16.856 8.625 12 HE3 LYS 2 1HE LYS 2 -13.882 -18.194 9.723 13 HZ1 LYS 2 3HZ LYS 2 -11.807 -16.363 9.965 14 HZ2 LYS 2 1HZ LYS 2 -13.008 -16.726 11.108 15 HZ3 LYS 2 2HZ LYS 2 -13.249 -15.464 9.997 16 H LYS 3 H LYS 3 -16.423 -21.108 6.980 17 HA LYS 3 HA LYS 3 -18.408 -19.899 5.145 18 HB2 LYS 3 2HB LYS 3 -18.284 -22.781 6.054 19 HB3 LYS 3 1HB LYS 3 -19.685 -22.047 5.270 20 HG2 LYS 3 2HG LYS 3 -18.304 -21.477 3.309 21 HG3 LYS 3 1HG LYS 3 -16.894 -22.197 4.089 22 HD2 LYS 3 2HD LYS 3 -18.004 -24.383 4.135 23 HD3 LYS 3 1HD LYS 3 -19.453 -23.679 3.416 24 HE2 LYS 3 2HE LYS 3 -18.157 -24.754 1.660 25 HE3 LYS 3 1HE LYS 3 -18.081 -23.006 1.432 26 HZ1 LYS 3 3HZ LYS 3 -16.016 -24.692 2.740 27 HZ2 LYS 3 1HZ LYS 3 -15.948 -23.004 2.600 28 HZ3 LYS 3 2HZ LYS 3 -15.899 -23.974 1.206 29 H VAL 4 H VAL 4 -17.314 -20.300 8.257 30 HA VAL 4 HA VAL 4 -19.847 -20.445 9.610 31 HB VAL 4 HB VAL 4 -17.831 -21.298 10.678 32 HG11 VAL 4 1HG1 VAL 4 -16.832 -18.466 10.981 33 HG12 VAL 4 2HG1 VAL 4 -16.386 -19.434 9.573 34 HG13 VAL 4 3HG1 VAL 4 -15.948 -19.977 11.193 35 HG21 VAL 4 3HG2 VAL 4 -18.412 -20.593 12.816 36 HG22 VAL 4 1HG2 VAL 4 -19.809 -19.973 11.935 37 HG23 VAL 4 2HG2 VAL 4 -18.477 -18.894 12.356 38 H GLU 5 H GLU 5 -17.445 -17.911 9.149 39 HA GLU 5 HA GLU 5 -19.520 -15.876 9.050 40 HB2 GLU 5 2HB GLU 5 -17.516 -16.034 11.302 41 HB3 GLU 5 1HB GLU 5 -18.257 -14.506 10.829 42 HG2 GLU 5 2HG GLU 5 -20.511 -15.601 11.136 43 HG3 GLU 5 1HG GLU 5 -19.675 -17.005 11.790 44 H PHE 6 H PHE 6 -18.810 -13.907 8.182 45 HA PHE 6 HA PHE 6 -16.235 -14.083 6.743 46 HB2 PHE 6 2HB PHE 6 -18.802 -12.577 6.242 47 HB3 PHE 6 1HB PHE 6 -17.302 -12.141 5.423 48 HD1 PHE 6 HD2 PHE 6 -16.023 -14.027 4.207 49 HD2 PHE 6 HD1 PHE 6 -20.133 -14.344 5.413 50 HE1 PHE 6 HE2 PHE 6 -16.355 -15.871 2.582 51 HE2 PHE 6 HE1 PHE 6 -20.466 -16.190 3.790 52 HZ PHE 6 HZ PHE 6 -18.577 -16.952 2.373 53 H ASN 7 H ASN 7 -14.599 -12.857 7.347 54 HA ASN 7 HA ASN 7 -14.838 -10.167 8.205 55 HB2 ASN 7 2HB ASN 7 -15.683 -11.299 10.259 56 HB3 ASN 7 1HB ASN 7 -14.140 -12.140 10.387 57 HD21 ASN 7 1HD2 ASN 7 -15.266 -8.736 9.907 58 HD22 ASN 7 2HD2 ASN 7 -14.136 -8.068 10.985 59 H ASP 8 H ASP 8 -13.325 -11.144 6.244 60 HA ASP 8 HA ASP 8 -11.181 -11.476 5.451 61 HB2 ASP 8 2HB ASP 8 -11.300 -9.044 6.298 62 HB3 ASP 8 1HB ASP 8 -10.353 -9.612 7.670 63 H LYS 9 H LYS 9 -8.703 -11.449 6.622 64 HA LYS 9 HA LYS 9 -8.324 -14.002 7.490 65 HB2 LYS 9 2HB LYS 9 -6.773 -11.479 7.677 66 HB3 LYS 9 1HB LYS 9 -6.291 -12.718 8.833 67 HG2 LYS 9 2HG LYS 9 -4.990 -12.987 6.811 68 HG3 LYS 9 1HG LYS 9 -6.122 -14.334 6.936 69 HD2 LYS 9 2HD LYS 9 -7.624 -13.310 5.350 70 HD3 LYS 9 1HD LYS 9 -6.679 -11.819 5.342 71 HE2 LYS 9 2HE LYS 9 -5.736 -14.531 4.370 72 HE3 LYS 9 1HE LYS 9 -6.151 -13.150 3.353 73 HZ1 LYS 9 3HZ LYS 9 -3.861 -13.477 5.180 74 HZ2 LYS 9 1HZ LYS 9 -4.405 -11.929 4.755 75 HZ3 LYS 9 2HZ LYS 9 -3.868 -13.002 3.550 76 HA PRO 10 HA PRO 10 -9.777 -14.314 11.596 77 HB2 PRO 10 2HB PRO 10 -7.983 -16.048 12.747 78 HB3 PRO 10 1HB PRO 10 -9.200 -16.557 11.557 79 HG2 PRO 10 2HG PRO 10 -6.301 -15.958 11.159 80 HG3 PRO 10 1HG PRO 10 -7.287 -17.259 10.467 81 HD2 PRO 10 2HD PRO 10 -6.649 -14.996 9.074 82 HD3 PRO 10 1HD PRO 10 -8.156 -15.898 8.800 83 H LYS 11 H LYS 11 -9.401 -13.693 13.809 84 HA LYS 11 HA LYS 11 -6.923 -12.138 14.283 85 HB2 LYS 11 2HB LYS 11 -9.770 -11.365 14.949 86 HB3 LYS 11 1HB LYS 11 -8.346 -10.525 15.563 87 HG2 LYS 11 2HG LYS 11 -7.620 -10.049 13.257 88 HG3 LYS 11 1HG LYS 11 -9.036 -10.895 12.631 89 HD2 LYS 11 2HD LYS 11 -10.514 -9.285 13.758 90 HD3 LYS 11 1HD LYS 11 -9.110 -8.449 14.423 91 HE2 LYS 11 2HE LYS 11 -9.878 -7.259 12.437 92 HE3 LYS 11 1HE LYS 11 -8.321 -8.014 12.092 93 HZ1 LYS 11 3HZ LYS 11 -9.430 -9.815 10.993 94 HZ2 LYS 11 1HZ LYS 11 -9.976 -8.356 10.323 95 HZ3 LYS 11 2HZ LYS 11 -10.958 -9.205 11.421 96 H VAL 12 H VAL 12 -6.094 -12.213 16.329 97 HA VAL 12 HA VAL 12 -5.612 -13.127 18.376 98 HB VAL 12 HB VAL 12 -8.571 -13.576 18.743 99 HG11 VAL 12 1HG1 VAL 12 -6.905 -14.272 20.503 100 HG12 VAL 12 2HG1 VAL 12 -8.066 -13.064 21.056 101 HG13 VAL 12 3HG1 VAL 12 -6.422 -12.582 20.636 102 HG21 VAL 12 3HG2 VAL 12 -8.453 -11.371 17.792 103 HG22 VAL 12 1HG2 VAL 12 -7.029 -10.970 18.753 104 HG23 VAL 12 2HG2 VAL 12 -8.597 -11.163 19.536 105 H ARG 13 H ARG 13 -5.300 -14.884 16.316 106 HA ARG 13 HA ARG 13 -5.814 -17.429 17.645 107 HB2 ARG 13 2HB ARG 13 -7.818 -17.081 16.222 108 HB3 ARG 13 1HB ARG 13 -6.766 -16.943 14.813 109 HG2 ARG 13 2HG ARG 13 -5.923 -19.214 15.184 110 HG3 ARG 13 1HG ARG 13 -6.908 -19.358 16.639 111 HD2 ARG 13 2HD ARG 13 -8.945 -18.988 15.235 112 HD3 ARG 13 1HD ARG 13 -7.916 -18.997 13.806 113 HE ARG 13 HE ARG 13 -7.642 -21.314 14.051 114 HH11 ARG 13 1HH2 ARG 13 -9.275 -19.897 16.753 115 HH12 ARG 13 2HH2 ARG 13 -9.778 -21.415 17.420 116 HH21 ARG 13 1HH1 ARG 13 -8.298 -23.307 14.920 117 HH22 ARG 13 2HH1 ARG 13 -9.224 -23.344 16.384 118 H LYS 14 H LYS 14 -4.440 -19.093 16.947 119 HA LYS 14 HA LYS 14 -1.862 -18.336 16.169 120 HB2 LYS 14 2HB LYS 14 -2.560 -20.462 17.338 121 HB3 LYS 14 1HB LYS 14 -3.058 -21.076 15.762 122 HG2 LYS 14 2HG LYS 14 -0.784 -20.733 14.889 123 HG3 LYS 14 1HG LYS 14 -0.272 -20.086 16.448 124 HD2 LYS 14 2HD LYS 14 -1.472 -22.849 16.178 125 HD3 LYS 14 1HD LYS 14 0.260 -22.565 15.995 126 HE2 LYS 14 2HE LYS 14 0.164 -21.414 18.288 127 HE3 LYS 14 1HE LYS 14 -1.452 -22.102 18.450 128 HZ1 LYS 14 3HZ LYS 14 1.067 -23.599 18.024 129 HZ2 LYS 14 1HZ LYS 14 -0.479 -24.297 18.040 130 HZ3 LYS 14 2HZ LYS 14 0.134 -23.560 19.442 131 H ILE 15 H ILE 15 -0.907 -18.017 14.269 132 HA ILE 15 HA ILE 15 -2.453 -17.807 11.909 133 HB ILE 15 HB ILE 15 0.042 -17.703 10.902 134 HG12 ILE 15 2HG1 ILE 15 0.502 -16.969 13.802 135 HG13 ILE 15 1HG1 ILE 15 0.878 -18.576 13.180 136 HG21 ILE 15 1HG2 ILE 15 0.104 -15.292 11.741 137 HG22 ILE 15 2HG2 ILE 15 -1.364 -15.673 12.639 138 HG23 ILE 15 3HG2 ILE 15 -1.354 -15.782 10.879 139 HD11 ILE 15 3HD1 ILE 15 2.435 -17.675 11.579 140 HD12 ILE 15 1HD1 ILE 15 2.819 -16.960 13.147 141 HD13 ILE 15 2HD1 ILE 15 1.934 -16.023 11.944 142 HA PRO 16 HA PRO 16 -2.209 -21.861 10.222 143 HB2 PRO 16 2HB PRO 16 -2.081 -21.332 7.520 144 HB3 PRO 16 1HB PRO 16 -3.561 -21.141 8.483 145 HG2 PRO 16 2HG PRO 16 -1.594 -19.070 7.614 146 HG3 PRO 16 1HG PRO 16 -3.364 -18.994 7.642 147 HD2 PRO 16 2HD PRO 16 -1.841 -17.836 9.574 148 HD3 PRO 16 1HD PRO 16 -3.441 -18.523 9.919 149 H SER 17 H SER 17 -0.907 -22.799 7.994 150 HA SER 17 HA SER 17 1.801 -23.013 8.926 151 HB2 SER 17 2HB SER 17 0.740 -24.015 6.286 152 HB3 SER 17 1HB SER 17 2.090 -24.644 7.226 153 HG SER 17 HG SER 17 -0.592 -24.563 8.148 154 H THR 18 H THR 18 0.320 -20.596 7.301 155 HA THR 18 HA THR 18 2.359 -20.084 5.291 156 HB THR 18 HB THR 18 1.023 -18.252 4.635 157 HG1 THR 18 HG1 THR 18 0.364 -18.265 7.300 158 HG21 THR 18 3HG2 THR 18 -0.865 -20.334 5.769 159 HG22 THR 18 1HG2 THR 18 -0.027 -20.454 4.222 160 HG23 THR 18 2HG2 THR 18 -1.235 -19.196 4.473 161 H ARG 19 H ARG 19 3.331 -17.816 5.254 162 HA ARG 19 HA ARG 19 4.303 -17.146 7.986 163 HB2 ARG 19 2HB ARG 19 6.301 -16.200 6.673 164 HB3 ARG 19 1HB ARG 19 6.157 -17.957 6.758 165 HG2 ARG 19 2HG ARG 19 5.139 -18.027 4.550 166 HG3 ARG 19 1HG ARG 19 5.126 -16.266 4.474 167 HD2 ARG 19 2HD ARG 19 7.643 -17.918 4.763 168 HD3 ARG 19 1HD ARG 19 7.036 -17.313 3.224 169 HE ARG 19 HE ARG 19 7.215 -15.131 4.971 170 HH11 ARG 19 1HH2 ARG 19 9.250 -17.480 3.451 171 HH12 ARG 19 2HH2 ARG 19 10.632 -16.439 3.377 172 HH21 ARG 19 1HH1 ARG 19 9.023 -13.758 4.876 173 HH22 ARG 19 2HH1 ARG 19 10.504 -14.331 4.184 174 H LYS 20 H LYS 20 5.144 -14.835 8.075 175 HA LYS 20 HA LYS 20 3.149 -13.048 6.804 176 HB2 LYS 20 2HB LYS 20 4.667 -12.588 9.370 177 HB3 LYS 20 1HB LYS 20 3.333 -11.627 8.725 178 HG2 LYS 20 2HG LYS 20 1.896 -13.696 8.853 179 HG3 LYS 20 1HG LYS 20 3.209 -14.482 9.729 180 HD2 LYS 20 2HD LYS 20 1.782 -11.938 10.570 181 HD3 LYS 20 1HD LYS 20 1.576 -13.527 11.305 182 HE2 LYS 20 2HE LYS 20 3.971 -11.706 11.397 183 HE3 LYS 20 1HE LYS 20 3.124 -12.488 12.732 184 HZ1 LYS 20 3HZ LYS 20 4.803 -13.829 10.683 185 HZ2 LYS 20 1HZ LYS 20 3.912 -14.636 11.880 186 HZ3 LYS 20 2HZ LYS 20 5.193 -13.609 12.323 187 H ILE 21 H ILE 21 3.807 -11.098 5.961 188 HA ILE 21 HA ILE 21 6.709 -10.874 5.405 189 HB ILE 21 HB ILE 21 5.113 -11.170 3.457 190 HG12 ILE 21 2HG1 ILE 21 6.125 -9.258 2.162 191 HG13 ILE 21 1HG1 ILE 21 6.717 -8.601 3.683 192 HG21 ILE 21 1HG2 ILE 21 3.547 -9.495 2.901 193 HG22 ILE 21 2HG2 ILE 21 4.296 -8.306 3.962 194 HG23 ILE 21 3HG2 ILE 21 3.363 -9.635 4.644 195 HD11 ILE 21 3HD1 ILE 21 7.396 -11.456 3.127 196 HD12 ILE 21 1HD1 ILE 21 8.360 -10.191 3.891 197 HD13 ILE 21 2HD1 ILE 21 8.203 -10.239 2.136 198 H LYS 22 H LYS 22 7.785 -9.121 6.015 199 HA LYS 22 HA LYS 22 6.317 -6.729 6.917 200 HB2 LYS 22 2HB LYS 22 6.985 -8.329 8.838 201 HB3 LYS 22 1HB LYS 22 8.640 -7.824 8.502 202 HG2 LYS 22 2HG LYS 22 8.041 -5.484 8.878 203 HG3 LYS 22 1HG LYS 22 6.352 -5.930 9.102 204 HD2 LYS 22 2HD LYS 22 6.965 -7.283 11.064 205 HD3 LYS 22 1HD LYS 22 8.658 -6.828 10.846 206 HE2 LYS 22 2HE LYS 22 8.054 -4.450 11.130 207 HE3 LYS 22 1HE LYS 22 6.367 -4.907 11.362 208 HZ1 LYS 22 3HZ LYS 22 7.160 -4.751 13.507 209 HZ2 LYS 22 1HZ LYS 22 8.678 -5.401 13.120 210 HZ3 LYS 22 2HZ LYS 22 7.316 -6.413 13.196 211 H ILE 23 H ILE 23 8.671 -8.035 4.991 212 HA ILE 23 HA ILE 23 10.433 -5.661 5.112 213 HB ILE 23 HB ILE 23 10.790 -8.262 3.617 214 HG12 ILE 23 2HG1 ILE 23 12.464 -7.560 6.014 215 HG13 ILE 23 1HG1 ILE 23 10.816 -8.091 6.339 216 HG21 ILE 23 1HG2 ILE 23 12.558 -5.859 4.132 217 HG22 ILE 23 2HG2 ILE 23 12.086 -6.539 2.575 218 HG23 ILE 23 3HG2 ILE 23 13.207 -7.415 3.617 219 HD11 ILE 23 3HD1 ILE 23 11.162 -10.177 5.262 220 HD12 ILE 23 1HD1 ILE 23 12.598 -9.918 6.255 221 HD13 ILE 23 2HD1 ILE 23 12.666 -9.628 4.515 222 H THR 24 H THR 24 10.130 -4.095 3.699 223 HA THR 24 HA THR 24 9.290 -4.711 0.963 224 HB THR 24 HB THR 24 7.825 -2.650 2.624 225 HG1 THR 24 HG1 THR 24 7.328 -4.761 3.299 226 HG21 THR 24 3HG2 THR 24 7.793 -2.079 0.301 227 HG22 THR 24 1HG2 THR 24 6.240 -2.842 0.643 228 HG23 THR 24 2HG2 THR 24 7.507 -3.753 -0.175 229 H PHE 25 H PHE 25 9.999 -3.232 -0.537 230 HA PHE 25 HA PHE 25 12.129 -1.471 0.339 231 HB2 PHE 25 2HB PHE 25 12.187 -2.895 -1.765 232 HB3 PHE 25 1HB PHE 25 11.017 -1.769 -2.457 233 HD1 PHE 25 HD2 PHE 25 11.613 0.661 -2.696 234 HD2 PHE 25 HD1 PHE 25 14.497 -2.312 -1.551 235 HE1 PHE 25 HE2 PHE 25 13.452 2.227 -3.259 236 HE2 PHE 25 HE1 PHE 25 16.334 -0.744 -2.108 237 HZ PHE 25 HZ PHE 25 15.812 1.525 -2.964 238 H ALA 26 H ALA 26 11.794 0.561 0.949 239 HA ALA 26 HA ALA 26 9.331 1.954 0.120 240 HB1 ALA 26 3HB ALA 26 11.349 2.776 2.215 241 HB2 ALA 26 1HB ALA 26 9.926 1.790 2.552 242 HB3 ALA 26 2HB ALA 26 9.734 3.441 1.965 243 H LEU 27 H LEU 27 9.350 3.783 -1.062 244 HA LEU 27 HA LEU 27 11.591 4.365 -2.690 245 HB2 LEU 27 2HB LEU 27 8.942 5.701 -2.195 246 HB3 LEU 27 1HB LEU 27 10.156 6.489 -3.202 247 HG LEU 27 HG LEU 27 8.525 5.056 -4.486 248 HD11 LEU 27 1HD1 LEU 27 10.119 4.481 -6.047 249 HD12 LEU 27 2HD1 LEU 27 11.158 3.683 -4.866 250 HD13 LEU 27 3HD1 LEU 27 11.163 5.443 -5.001 251 HD21 LEU 27 3HD2 LEU 27 9.986 2.716 -3.243 252 HD22 LEU 27 1HD2 LEU 27 8.534 2.680 -4.242 253 HD23 LEU 27 2HD2 LEU 27 8.458 3.315 -2.598 254 H ASP 28 H ASP 28 10.260 5.909 0.191 255 HA ASP 28 HA ASP 28 12.834 7.128 0.745 256 HB2 ASP 28 2HB ASP 28 11.539 8.707 -0.819 257 HB3 ASP 28 1HB ASP 28 10.441 8.954 0.537 258 H ALA 29 H ALA 29 12.341 8.752 2.753 259 HA ALA 29 HA ALA 29 11.640 7.070 4.897 260 HB1 ALA 29 3HB ALA 29 11.634 10.095 4.925 261 HB2 ALA 29 1HB ALA 29 13.101 9.122 5.016 262 HB3 ALA 29 2HB ALA 29 11.890 9.011 6.293 263 H THR 30 H THR 30 9.815 9.622 3.229 264 HA THR 30 HA THR 30 7.539 9.566 4.901 265 HB THR 30 HB THR 30 7.794 10.300 1.976 266 HG1 THR 30 HG1 THR 30 8.328 11.534 4.377 267 HG21 THR 30 3HG2 THR 30 5.698 11.673 2.593 268 HG22 THR 30 1HG2 THR 30 5.548 10.580 3.970 269 HG23 THR 30 2HG2 THR 30 5.487 9.944 2.326 270 H PHE 31 H PHE 31 8.246 7.896 1.844 271 HA PHE 31 HA PHE 31 5.785 6.494 1.699 272 HB2 PHE 31 2HB PHE 31 8.495 5.959 0.474 273 HB3 PHE 31 1HB PHE 31 7.073 4.973 0.133 274 HD1 PHE 31 HD2 PHE 31 4.904 6.296 -0.560 275 HD2 PHE 31 HD1 PHE 31 8.890 7.869 -0.840 276 HE1 PHE 31 HE2 PHE 31 4.129 7.963 -2.223 277 HE2 PHE 31 HE1 PHE 31 8.115 9.538 -2.503 278 HZ PHE 31 HZ PHE 31 5.735 9.582 -3.196 279 H ASP 32 H ASP 32 8.841 5.839 3.287 280 HA ASP 32 HA ASP 32 8.392 3.095 3.863 281 HB2 ASP 32 2HB ASP 32 10.615 4.098 4.022 282 HB3 ASP 32 1HB ASP 32 10.065 5.143 5.331 283 H SER 33 H SER 33 7.938 6.025 5.850 284 HA SER 33 HA SER 33 6.820 4.696 8.079 285 HB2 SER 33 2HB SER 33 7.621 6.890 8.451 286 HB3 SER 33 1HB SER 33 6.695 7.546 7.105 287 HG SER 33 HG SER 33 4.923 7.530 8.297 288 H VAL 34 H VAL 34 5.322 6.296 5.281 289 HA VAL 34 HA VAL 34 2.641 5.953 6.090 290 HB VAL 34 HB VAL 34 3.869 6.186 3.333 291 HG11 VAL 34 1HG1 VAL 34 0.989 6.183 4.263 292 HG12 VAL 34 2HG1 VAL 34 1.724 5.194 3.000 293 HG13 VAL 34 3HG1 VAL 34 1.484 6.921 2.739 294 HG21 VAL 34 3HG2 VAL 34 4.046 8.087 5.098 295 HG22 VAL 34 1HG2 VAL 34 2.308 8.273 4.869 296 HG23 VAL 34 2HG2 VAL 34 3.407 8.506 3.509 297 H LEU 35 H LEU 35 4.731 3.974 4.009 298 HA LEU 35 HA LEU 35 2.800 1.999 3.436 299 HB2 LEU 35 2HB LEU 35 4.869 2.298 2.149 300 HB3 LEU 35 1HB LEU 35 5.810 1.753 3.537 301 HG LEU 35 HG LEU 35 3.614 -0.105 2.765 302 HD11 LEU 35 1HD1 LEU 35 4.799 -1.020 0.816 303 HD12 LEU 35 2HD1 LEU 35 5.990 0.276 0.923 304 HD13 LEU 35 3HD1 LEU 35 4.313 0.649 0.531 305 HD21 LEU 35 3HD2 LEU 35 6.594 -0.479 3.239 306 HD22 LEU 35 1HD2 LEU 35 5.408 -1.779 3.101 307 HD23 LEU 35 2HD2 LEU 35 5.336 -0.657 4.461 308 H SER 36 H SER 36 5.273 2.241 5.968 309 HA SER 36 HA SER 36 4.859 -0.302 7.112 310 HB2 SER 36 2HB SER 36 6.825 0.847 7.754 311 HB3 SER 36 1HB SER 36 5.930 2.297 8.200 312 HG SER 36 HG SER 36 5.411 -0.165 9.465 313 H LYS 37 H LYS 37 3.449 2.871 7.872 314 HA LYS 37 HA LYS 37 1.849 1.986 10.034 315 HB2 LYS 37 2HB LYS 37 1.633 4.356 8.177 316 HB3 LYS 37 1HB LYS 37 0.538 4.092 9.533 317 HG2 LYS 37 2HG LYS 37 2.368 4.156 11.113 318 HG3 LYS 37 1HG LYS 37 3.553 4.193 9.809 319 HD2 LYS 37 2HD LYS 37 3.195 6.453 10.755 320 HD3 LYS 37 1HD LYS 37 2.697 6.377 9.067 321 HE2 LYS 37 2HE LYS 37 1.102 7.521 10.781 322 HE3 LYS 37 1HE LYS 37 0.408 6.403 9.610 323 HZ1 LYS 37 3HZ LYS 37 -0.130 6.177 12.135 324 HZ2 LYS 37 1HZ LYS 37 1.359 5.365 12.185 325 HZ3 LYS 37 2HZ LYS 37 0.113 4.789 11.184 326 H ALA 38 H ALA 38 1.169 2.405 6.571 327 HA ALA 38 HA ALA 38 -1.568 1.635 6.747 328 HB1 ALA 38 3HB ALA 38 -0.581 2.946 4.862 329 HB2 ALA 38 1HB ALA 38 -1.508 1.543 4.333 330 HB3 ALA 38 2HB ALA 38 0.254 1.484 4.339 331 H CYS 39 H CYS 39 1.310 -0.106 5.543 332 HA CYS 39 HA CYS 39 -0.089 -2.663 6.095 333 HB2 CYS 39 2HB CYS 39 2.030 -2.116 4.002 334 HB3 CYS 39 1HB CYS 39 1.191 -3.642 4.265 335 HG CYS 39 HG CYS 39 0.148 -1.685 2.430 336 H SER 40 H SER 40 0.776 -2.467 8.274 337 HA SER 40 HA SER 40 3.552 -2.389 8.823 338 HB2 SER 40 2HB SER 40 2.911 -3.258 11.046 339 HB3 SER 40 1HB SER 40 1.886 -1.916 10.548 340 HG SER 40 HG SER 40 0.301 -3.257 10.834 341 H GLU 41 H GLU 41 1.300 -5.035 8.195 342 HA GLU 41 HA GLU 41 3.359 -6.769 7.287 343 HB2 GLU 41 2HB GLU 41 3.217 -8.473 9.071 344 HB3 GLU 41 1HB GLU 41 3.894 -6.955 9.664 345 HG2 GLU 41 2HG GLU 41 1.652 -6.311 10.516 346 HG3 GLU 41 1HG GLU 41 1.017 -7.865 9.977 347 H PHE 42 H PHE 42 2.543 -8.692 6.395 348 HA PHE 42 HA PHE 42 -0.370 -9.153 6.582 349 HB2 PHE 42 2HB PHE 42 1.129 -8.296 4.137 350 HB3 PHE 42 1HB PHE 42 -0.161 -9.478 3.932 351 HD1 PHE 42 HD2 PHE 42 -2.467 -8.937 4.821 352 HD2 PHE 42 HD1 PHE 42 0.643 -5.995 4.497 353 HE1 PHE 42 HE2 PHE 42 -4.162 -7.133 4.963 354 HE2 PHE 42 HE1 PHE 42 -1.056 -4.192 4.636 355 HZ PHE 42 HZ PHE 42 -3.453 -4.760 4.873 356 H GLU 43 H GLU 43 -1.049 -11.225 5.804 357 HA GLU 43 HA GLU 43 0.968 -13.263 6.287 358 HB2 GLU 43 2HB GLU 43 -2.001 -13.435 5.757 359 HB3 GLU 43 1HB GLU 43 -0.958 -14.813 6.109 360 HG2 GLU 43 2HG GLU 43 -0.349 -13.847 8.266 361 HG3 GLU 43 1HG GLU 43 -1.320 -12.417 7.922 362 H VAL 44 H VAL 44 2.066 -14.248 4.719 363 HA VAL 44 HA VAL 44 0.965 -14.279 1.966 364 HB VAL 44 HB VAL 44 3.177 -13.949 1.089 365 HG11 VAL 44 1HG1 VAL 44 3.571 -11.701 1.768 366 HG12 VAL 44 2HG1 VAL 44 2.911 -11.990 3.375 367 HG13 VAL 44 3HG1 VAL 44 1.840 -11.958 1.975 368 HG21 VAL 44 3HG2 VAL 44 4.585 -15.149 2.550 369 HG22 VAL 44 1HG2 VAL 44 4.002 -14.288 3.974 370 HG23 VAL 44 2HG2 VAL 44 5.050 -13.470 2.815 371 H ASP 45 H ASP 45 0.964 -16.178 0.940 372 HA ASP 45 HA ASP 45 1.530 -18.576 2.409 373 HB2 ASP 45 2HB ASP 45 0.654 -18.061 -0.436 374 HB3 ASP 45 1HB ASP 45 0.916 -19.679 0.211 375 H LYS 46 H LYS 46 2.832 -20.356 1.343 376 HA LYS 46 HA LYS 46 5.517 -19.431 0.976 377 HB2 LYS 46 2HB LYS 46 4.262 -22.178 0.778 378 HB3 LYS 46 1HB LYS 46 5.994 -21.875 0.624 379 HG2 LYS 46 2HG LYS 46 6.024 -20.860 2.869 380 HG3 LYS 46 1HG LYS 46 4.291 -21.153 3.028 381 HD2 LYS 46 2HD LYS 46 4.684 -23.584 2.789 382 HD3 LYS 46 1HD LYS 46 6.418 -23.285 2.653 383 HE2 LYS 46 2HE LYS 46 6.227 -22.088 4.918 384 HE3 LYS 46 1HE LYS 46 4.632 -22.832 5.048 385 HZ1 LYS 46 3HZ LYS 46 5.520 -24.934 5.136 386 HZ2 LYS 46 1HZ LYS 46 6.685 -24.051 5.995 387 HZ3 LYS 46 2HZ LYS 46 6.972 -24.486 4.377 388 H ASP 47 H ASP 47 6.859 -20.061 -0.860 389 HA ASP 47 HA ASP 47 7.373 -19.941 -3.092 390 HB2 ASP 47 2HB ASP 47 4.782 -21.493 -3.207 391 HB3 ASP 47 1HB ASP 47 5.781 -21.186 -4.625 392 H VAL 48 H VAL 48 5.971 -17.719 -1.885 393 HA VAL 48 HA VAL 48 4.004 -16.755 -3.744 394 HB VAL 48 HB VAL 48 3.836 -15.943 -1.508 395 HG11 VAL 48 1HG1 VAL 48 6.003 -16.315 -0.621 396 HG12 VAL 48 2HG1 VAL 48 5.799 -14.565 -0.567 397 HG13 VAL 48 3HG1 VAL 48 6.770 -15.302 -1.843 398 HG21 VAL 48 3HG2 VAL 48 3.779 -13.587 -1.853 399 HG22 VAL 48 1HG2 VAL 48 3.577 -14.272 -3.467 400 HG23 VAL 48 2HG2 VAL 48 5.144 -13.637 -2.969 401 H THR 49 H THR 49 4.246 -15.336 -5.412 402 HA THR 49 HA THR 49 6.967 -15.002 -6.439 403 HB THR 49 HB THR 49 5.736 -14.078 -8.434 404 HG1 THR 49 HG1 THR 49 3.539 -14.345 -8.476 405 HG21 THR 49 3HG2 THR 49 6.512 -16.356 -8.455 406 HG22 THR 49 1HG2 THR 49 4.864 -16.360 -9.082 407 HG23 THR 49 2HG2 THR 49 5.178 -16.874 -7.424 408 H LEU 50 H LEU 50 4.151 -12.821 -6.462 409 HA LEU 50 HA LEU 50 5.120 -10.767 -4.861 410 HB2 LEU 50 2HB LEU 50 5.911 -9.156 -6.630 411 HB3 LEU 50 1HB LEU 50 7.024 -10.471 -6.275 412 HG LEU 50 HG LEU 50 5.242 -11.411 -8.350 413 HD11 LEU 50 1HD1 LEU 50 6.508 -8.737 -8.987 414 HD12 LEU 50 2HD1 LEU 50 4.780 -9.037 -8.807 415 HD13 LEU 50 3HD1 LEU 50 5.671 -9.788 -10.131 416 HD21 LEU 50 3HD2 LEU 50 8.142 -10.535 -8.527 417 HD22 LEU 50 1HD2 LEU 50 7.314 -11.623 -9.643 418 HD23 LEU 50 2HD2 LEU 50 7.596 -12.115 -7.971 419 H ASP 51 H ASP 51 3.288 -11.802 -7.627 420 HA ASP 51 HA ASP 51 1.765 -9.534 -8.193 421 HB2 ASP 51 2HB ASP 51 0.020 -11.161 -8.957 422 HB3 ASP 51 1HB ASP 51 1.625 -11.491 -9.603 423 H GLU 52 H GLU 52 1.224 -12.081 -5.770 424 HA GLU 52 HA GLU 52 -1.242 -11.078 -4.803 425 HB2 GLU 52 2HB GLU 52 -0.413 -13.375 -4.366 426 HB3 GLU 52 1HB GLU 52 0.837 -12.702 -3.319 427 HG2 GLU 52 2HG GLU 52 -0.873 -11.737 -1.853 428 HG3 GLU 52 1HG GLU 52 -2.146 -12.332 -2.916 429 H LEU 53 H LEU 53 2.121 -10.519 -3.838 430 HA LEU 53 HA LEU 53 1.570 -8.949 -1.555 431 HB2 LEU 53 2HB LEU 53 3.924 -9.284 -3.382 432 HB3 LEU 53 1HB LEU 53 3.948 -7.982 -2.196 433 HG LEU 53 HG LEU 53 3.346 -10.866 -1.491 434 HD11 LEU 53 1HD1 LEU 53 5.961 -9.357 -1.573 435 HD12 LEU 53 2HD1 LEU 53 5.568 -10.906 -2.314 436 HD13 LEU 53 3HD1 LEU 53 5.731 -10.787 -0.564 437 HD21 LEU 53 3HD2 LEU 53 2.616 -9.707 0.367 438 HD22 LEU 53 1HD2 LEU 53 3.627 -8.301 0.034 439 HD23 LEU 53 2HD2 LEU 53 4.328 -9.743 0.766 440 H LEU 54 H LEU 54 2.085 -8.073 -4.947 441 HA LEU 54 HA LEU 54 1.992 -5.289 -4.539 442 HB2 LEU 54 2HB LEU 54 1.350 -6.989 -6.950 443 HB3 LEU 54 1HB LEU 54 1.407 -5.227 -6.998 444 HG LEU 54 HG LEU 54 3.695 -6.970 -6.041 445 HD11 LEU 54 1HD1 LEU 54 3.349 -5.622 -8.735 446 HD12 LEU 54 2HD1 LEU 54 3.175 -7.354 -8.441 447 HD13 LEU 54 3HD1 LEU 54 4.741 -6.572 -8.211 448 HD21 LEU 54 3HD2 LEU 54 4.181 -4.883 -5.145 449 HD22 LEU 54 1HD2 LEU 54 3.281 -4.013 -6.388 450 HD23 LEU 54 2HD2 LEU 54 4.881 -4.669 -6.746 451 H ASP 55 H ASP 55 -0.525 -7.648 -5.324 452 HA ASP 55 HA ASP 55 -2.632 -5.762 -5.599 453 HB2 ASP 55 2HB ASP 55 -2.602 -8.158 -6.429 454 HB3 ASP 55 1HB ASP 55 -2.920 -8.645 -4.766 455 H VAL 56 H VAL 56 -1.500 -7.748 -2.879 456 HA VAL 56 HA VAL 56 -3.573 -6.898 -1.098 457 HB VAL 56 HB VAL 56 -0.899 -8.223 -0.615 458 HG11 VAL 56 1HG1 VAL 56 -1.390 -7.132 1.435 459 HG12 VAL 56 2HG1 VAL 56 -2.022 -8.764 1.645 460 HG13 VAL 56 3HG1 VAL 56 -3.121 -7.434 1.277 461 HG21 VAL 56 3HG2 VAL 56 -3.715 -9.327 -0.416 462 HG22 VAL 56 1HG2 VAL 56 -2.202 -10.233 -0.369 463 HG23 VAL 56 2HG2 VAL 56 -2.725 -9.465 -1.868 464 H VAL 57 H VAL 57 -0.126 -6.062 -1.371 465 HA VAL 57 HA VAL 57 -0.014 -4.207 0.695 466 HB VAL 57 HB VAL 57 1.481 -4.256 -1.937 467 HG11 VAL 57 1HG1 VAL 57 3.192 -2.927 -0.576 468 HG12 VAL 57 2HG1 VAL 57 1.895 -2.640 0.583 469 HG13 VAL 57 3HG1 VAL 57 1.744 -2.053 -1.073 470 HG21 VAL 57 3HG2 VAL 57 3.046 -5.644 -0.913 471 HG22 VAL 57 1HG2 VAL 57 1.576 -6.205 -0.115 472 HG23 VAL 57 2HG2 VAL 57 2.654 -5.077 0.708 473 H LEU 58 H LEU 58 -0.713 -3.671 -2.770 474 HA LEU 58 HA LEU 58 -1.116 -0.882 -2.499 475 HB2 LEU 58 2HB LEU 58 -0.713 -2.025 -4.664 476 HB3 LEU 58 1HB LEU 58 -2.302 -2.779 -4.540 477 HG LEU 58 HG LEU 58 -3.346 -0.520 -4.485 478 HD11 LEU 58 1HD1 LEU 58 -1.813 1.011 -3.654 479 HD12 LEU 58 2HD1 LEU 58 -1.637 1.321 -5.381 480 HD13 LEU 58 3HD1 LEU 58 -0.460 0.309 -4.544 481 HD21 LEU 58 3HD2 LEU 58 -1.499 -0.801 -6.871 482 HD22 LEU 58 1HD2 LEU 58 -3.108 -0.078 -6.832 483 HD23 LEU 58 2HD2 LEU 58 -2.919 -1.819 -6.625 484 H ASP 59 H ASP 59 -3.484 -3.521 -2.825 485 HA ASP 59 HA ASP 59 -5.807 -2.066 -2.480 486 HB2 ASP 59 2HB ASP 59 -5.132 -4.874 -1.607 487 HB3 ASP 59 1HB ASP 59 -6.758 -4.204 -1.502 488 H ALA 60 H ALA 60 -3.666 -3.405 -0.010 489 HA ALA 60 HA ALA 60 -5.222 -2.741 2.241 490 HB1 ALA 60 3HB ALA 60 -2.975 -2.821 3.438 491 HB2 ALA 60 1HB ALA 60 -2.255 -3.150 1.862 492 HB3 ALA 60 2HB ALA 60 -3.428 -4.275 2.547 493 H VAL 61 H VAL 61 -2.699 -0.949 0.495 494 HA VAL 61 HA VAL 61 -2.591 1.262 2.261 495 HB VAL 61 HB VAL 61 -1.935 0.987 -0.678 496 HG11 VAL 61 1HG1 VAL 61 -2.374 3.310 -0.411 497 HG12 VAL 61 2HG1 VAL 61 -0.626 3.158 -0.221 498 HG13 VAL 61 3HG1 VAL 61 -1.654 3.341 1.199 499 HG21 VAL 61 3HG2 VAL 61 0.294 0.707 0.030 500 HG22 VAL 61 1HG2 VAL 61 -0.613 -0.204 1.237 501 HG23 VAL 61 2HG2 VAL 61 -0.019 1.411 1.616 502 H GLU 62 H GLU 62 -4.471 0.686 -0.697 503 HA GLU 62 HA GLU 62 -5.736 3.231 -0.718 504 HB2 GLU 62 2HB GLU 62 -6.691 0.623 -1.925 505 HB3 GLU 62 1HB GLU 62 -7.265 2.236 -2.349 506 HG2 GLU 62 2HG GLU 62 -4.932 2.839 -3.004 507 HG3 GLU 62 1HG GLU 62 -4.460 1.173 -2.695 508 H SER 63 H SER 63 -6.675 0.064 0.580 509 HA SER 63 HA SER 63 -9.287 0.742 1.367 510 HB2 SER 63 2HB SER 63 -8.728 -1.549 1.364 511 HB3 SER 63 1HB SER 63 -7.286 -1.282 2.339 512 HG SER 63 HG SER 63 -8.831 -0.527 3.998 513 H THR 64 H THR 64 -6.295 0.639 3.335 514 HA THR 64 HA THR 64 -7.416 1.690 5.674 515 HB THR 64 HB THR 64 -5.074 2.281 6.274 516 HG1 THR 64 HG1 THR 64 -4.740 1.672 3.544 517 HG21 THR 64 3HG2 THR 64 -4.157 -0.074 5.907 518 HG22 THR 64 1HG2 THR 64 -5.638 -0.404 5.010 519 HG23 THR 64 2HG2 THR 64 -5.719 0.029 6.718 520 H LEU 65 H LEU 65 -5.794 3.315 2.964 521 HA LEU 65 HA LEU 65 -6.707 5.930 4.018 522 HB2 LEU 65 2HB LEU 65 -4.519 5.228 2.053 523 HB3 LEU 65 1HB LEU 65 -4.989 6.875 2.475 524 HG LEU 65 HG LEU 65 -4.150 4.826 4.538 525 HD11 LEU 65 1HD1 LEU 65 -1.952 6.122 4.519 526 HD12 LEU 65 2HD1 LEU 65 -2.481 6.825 2.990 527 HD13 LEU 65 3HD1 LEU 65 -2.233 5.084 3.121 528 HD21 LEU 65 3HD2 LEU 65 -5.258 6.586 5.660 529 HD22 LEU 65 1HD2 LEU 65 -4.639 7.811 4.550 530 HD23 LEU 65 2HD2 LEU 65 -3.570 7.077 5.744 531 H SER 66 H SER 66 -8.842 5.519 3.215 532 HA SER 66 HA SER 66 -9.299 5.205 0.391 533 HB2 SER 66 2HB SER 66 -11.372 4.653 1.135 534 HB3 SER 66 1HB SER 66 -10.857 5.048 2.770 535 HG SER 66 HG SER 66 -12.199 6.630 0.871 536 HA PRO 67 HA PRO 67 -10.279 9.857 0.624 537 HB2 PRO 67 2HB PRO 67 -9.706 11.262 2.893 538 HB3 PRO 67 1HB PRO 67 -11.219 10.359 2.682 539 HG2 PRO 67 2HG PRO 67 -8.825 9.680 4.300 540 HG3 PRO 67 1HG PRO 67 -10.529 9.275 4.576 541 HD2 PRO 67 2HD PRO 67 -8.567 7.559 3.490 542 HD3 PRO 67 1HD PRO 67 -10.318 7.274 3.470 543 H CYS 68 H CYS 68 -8.694 10.339 -0.839 544 HA CYS 68 HA CYS 68 -6.132 11.364 0.229 545 HB2 CYS 68 2HB CYS 68 -5.157 10.381 -2.006 546 HB3 CYS 68 1HB CYS 68 -5.389 9.312 -0.621 547 HG CYS 68 HG CYS 68 -6.698 8.009 -2.309 548 H LYS 69 H LYS 69 -8.410 11.253 -2.481 549 HA LYS 69 HA LYS 69 -7.286 13.433 -3.911 550 HB2 LYS 69 2HB LYS 69 -8.841 11.742 -4.890 551 HB3 LYS 69 1HB LYS 69 -10.154 12.476 -3.969 552 HG2 LYS 69 2HG LYS 69 -9.798 14.616 -5.096 553 HG3 LYS 69 1HG LYS 69 -8.411 13.952 -5.963 554 HD2 LYS 69 2HD LYS 69 -9.889 12.286 -7.041 555 HD3 LYS 69 1HD LYS 69 -11.274 12.982 -6.199 556 HE2 LYS 69 2HE LYS 69 -9.470 14.559 -8.053 557 HE3 LYS 69 1HE LYS 69 -10.988 13.817 -8.559 558 HZ1 LYS 69 3HZ LYS 69 -10.533 16.169 -6.940 559 HZ2 LYS 69 1HZ LYS 69 -11.738 15.131 -6.352 560 HZ3 LYS 69 2HZ LYS 69 -11.857 15.765 -7.925 561 H GLU 70 H GLU 70 -9.331 13.232 -1.138 562 HA GLU 70 HA GLU 70 -10.531 15.818 -1.357 563 HB2 GLU 70 2HB GLU 70 -10.131 13.957 0.994 564 HB3 GLU 70 1HB GLU 70 -11.045 15.463 1.078 565 HG2 GLU 70 2HG GLU 70 -12.575 14.665 -0.659 566 HG3 GLU 70 1HG GLU 70 -11.640 13.182 -0.828 567 H HIS 71 H HIS 71 -7.633 14.549 0.231 568 HA HIS 71 HA HIS 71 -6.942 17.246 1.201 569 HB2 HIS 71 2HB HIS 71 -5.698 14.534 1.716 570 HB3 HIS 71 1HB HIS 71 -5.106 16.053 2.391 571 HD1 HIS 71 HD1 HIS 71 -7.893 13.573 2.672 572 HD2 HIS 71 HD2 HIS 71 -6.814 17.221 4.377 573 HE1 HIS 71 HE1 HIS 71 -9.397 13.895 4.685 574 H ASP 72 H ASP 72 -5.585 18.485 0.091 575 HA ASP 72 HA ASP 72 -4.476 17.743 -2.389 576 HB2 ASP 72 2HB ASP 72 -4.061 20.052 -0.503 577 HB3 ASP 72 1HB ASP 72 -3.038 19.886 -1.926 578 H VAL 73 H VAL 73 -3.176 17.720 0.884 579 HA VAL 73 HA VAL 73 -0.461 17.356 0.258 580 HB VAL 73 HB VAL 73 -2.009 16.262 2.622 581 HG11 VAL 73 1HG1 VAL 73 0.945 16.852 2.237 582 HG12 VAL 73 2HG1 VAL 73 0.227 15.248 2.364 583 HG13 VAL 73 3HG1 VAL 73 0.196 16.337 3.748 584 HG21 VAL 73 3HG2 VAL 73 -1.253 18.340 3.741 585 HG22 VAL 73 1HG2 VAL 73 -2.286 18.694 2.357 586 HG23 VAL 73 2HG2 VAL 73 -0.538 18.888 2.224 587 H ILE 74 H ILE 74 -3.068 14.992 0.786 588 HA ILE 74 HA ILE 74 -1.310 12.779 0.026 589 HB ILE 74 HB ILE 74 -4.260 12.691 0.656 590 HG12 ILE 74 2HG1 ILE 74 -3.101 13.699 2.545 591 HG13 ILE 74 1HG1 ILE 74 -3.511 12.035 2.950 592 HG21 ILE 74 1HG2 ILE 74 -3.635 10.330 1.296 593 HG22 ILE 74 2HG2 ILE 74 -2.046 10.629 0.590 594 HG23 ILE 74 3HG2 ILE 74 -3.487 10.681 -0.423 595 HD11 ILE 74 3HD1 ILE 74 -0.821 13.201 2.262 596 HD12 ILE 74 1HD1 ILE 74 -1.115 11.480 2.051 597 HD13 ILE 74 2HD1 ILE 74 -1.268 12.212 3.647 598 H GLY 75 H GLY 75 -3.663 14.873 -1.374 599 HA2 GLY 75 2HA GLY 75 -4.887 13.554 -3.383 600 HA3 GLY 75 1HA GLY 75 -4.157 15.135 -3.644 601 H THR 76 H THR 76 -1.550 14.793 -3.720 602 HA THR 76 HA THR 76 -0.902 13.821 -6.202 603 HB THR 76 HB THR 76 1.448 13.649 -5.344 604 HG1 THR 76 HG1 THR 76 0.468 13.037 -3.161 605 HG21 THR 76 3HG2 THR 76 1.665 16.007 -4.897 606 HG22 THR 76 1HG2 THR 76 -0.009 16.110 -4.350 607 HG23 THR 76 2HG2 THR 76 0.347 15.807 -6.051 608 H LYS 77 H LYS 77 -1.578 12.009 -3.367 609 HA LYS 77 HA LYS 77 -0.152 9.631 -3.873 610 HB2 LYS 77 2HB LYS 77 -1.304 10.150 -1.721 611 HB3 LYS 77 1HB LYS 77 -2.853 9.901 -2.529 612 HG2 LYS 77 2HG LYS 77 -2.242 7.603 -3.055 613 HG3 LYS 77 1HG LYS 77 -0.660 7.842 -2.321 614 HD2 LYS 77 2HD LYS 77 -1.733 8.303 -0.147 615 HD3 LYS 77 1HD LYS 77 -3.315 8.044 -0.882 616 HE2 LYS 77 2HE LYS 77 -2.701 5.730 -1.438 617 HE3 LYS 77 1HE LYS 77 -1.098 5.978 -0.744 618 HZ1 LYS 77 3HZ LYS 77 -1.975 5.339 1.173 619 HZ2 LYS 77 1HZ LYS 77 -3.554 5.385 0.558 620 HZ3 LYS 77 2HZ LYS 77 -2.852 6.795 1.196 621 H VAL 78 H VAL 78 -3.442 10.629 -4.801 622 HA VAL 78 HA VAL 78 -4.151 8.230 -6.104 623 HB VAL 78 HB VAL 78 -5.084 11.072 -6.524 624 HG11 VAL 78 1HG1 VAL 78 -7.105 9.858 -7.552 625 HG12 VAL 78 2HG1 VAL 78 -6.052 8.449 -7.676 626 HG13 VAL 78 3HG1 VAL 78 -5.647 9.931 -8.541 627 HG21 VAL 78 3HG2 VAL 78 -6.256 8.707 -5.030 628 HG22 VAL 78 1HG2 VAL 78 -7.042 10.272 -5.226 629 HG23 VAL 78 2HG2 VAL 78 -5.547 10.148 -4.300 630 H CYS 79 H CYS 79 -2.681 11.228 -7.335 631 HA CYS 79 HA CYS 79 -2.622 10.495 -10.054 632 HB2 CYS 79 2HB CYS 79 -0.784 12.313 -8.481 633 HB3 CYS 79 1HB CYS 79 -0.830 12.214 -10.241 634 HG CYS 79 HG CYS 79 -2.460 14.128 -9.599 635 H ALA 80 H ALA 80 -0.124 10.199 -7.525 636 HA ALA 80 HA ALA 80 1.792 8.922 -9.182 637 HB1 ALA 80 3HB ALA 80 2.812 8.226 -6.985 638 HB2 ALA 80 1HB ALA 80 1.429 8.967 -6.182 639 HB3 ALA 80 2HB ALA 80 2.525 9.958 -7.144 640 H LEU 81 H LEU 81 -0.700 7.686 -6.997 641 HA LEU 81 HA LEU 81 -0.000 4.966 -7.179 642 HB2 LEU 81 2HB LEU 81 -1.478 5.820 -5.444 643 HB3 LEU 81 1HB LEU 81 -2.682 6.263 -6.654 644 HG LEU 81 HG LEU 81 -1.814 3.419 -6.817 645 HD11 LEU 81 1HD1 LEU 81 -1.754 3.449 -4.446 646 HD12 LEU 81 2HD1 LEU 81 -3.353 2.823 -4.855 647 HD13 LEU 81 3HD1 LEU 81 -3.164 4.500 -4.342 648 HD21 LEU 81 3HD2 LEU 81 -4.246 3.066 -7.049 649 HD22 LEU 81 1HD2 LEU 81 -3.708 4.364 -8.114 650 HD23 LEU 81 2HD2 LEU 81 -4.540 4.748 -6.607 651 H LEU 82 H LEU 82 -2.278 6.950 -9.042 652 HA LEU 82 HA LEU 82 -3.288 4.864 -10.643 653 HB2 LEU 82 2HB LEU 82 -4.414 7.024 -10.518 654 HB3 LEU 82 1HB LEU 82 -3.019 7.825 -11.237 655 HG LEU 82 HG LEU 82 -3.331 6.540 -13.318 656 HD11 LEU 82 1HD1 LEU 82 -4.243 4.470 -12.726 657 HD12 LEU 82 2HD1 LEU 82 -5.646 5.283 -13.416 658 HD13 LEU 82 3HD1 LEU 82 -5.455 5.186 -11.665 659 HD21 LEU 82 3HD2 LEU 82 -4.538 8.699 -12.975 660 HD22 LEU 82 1HD2 LEU 82 -5.935 7.790 -12.398 661 HD23 LEU 82 2HD2 LEU 82 -5.388 7.603 -14.064 662 H ASP 83 H ASP 83 -0.574 7.102 -11.097 663 HA ASP 83 HA ASP 83 0.136 6.281 -13.696 664 HB2 ASP 83 2HB ASP 83 1.001 8.336 -12.684 665 HB3 ASP 83 1HB ASP 83 1.880 7.389 -11.486 666 H ARG 84 H ARG 84 1.210 5.169 -10.502 667 HA ARG 84 HA ARG 84 3.091 3.279 -11.479 668 HB2 ARG 84 2HB ARG 84 1.630 3.511 -8.853 669 HB3 ARG 84 1HB ARG 84 2.845 2.272 -9.178 670 HG2 ARG 84 2HG ARG 84 4.510 4.010 -9.680 671 HG3 ARG 84 1HG ARG 84 3.299 5.262 -9.402 672 HD2 ARG 84 2HD ARG 84 4.095 3.227 -7.308 673 HD3 ARG 84 1HD ARG 84 4.830 4.822 -7.438 674 HE ARG 84 HE ARG 84 2.022 5.115 -7.340 675 HH11 ARG 84 1HH2 ARG 84 4.723 4.148 -5.405 676 HH12 ARG 84 2HH2 ARG 84 3.999 4.628 -3.907 677 HH21 ARG 84 1HH1 ARG 84 1.065 5.747 -5.379 678 HH22 ARG 84 2HH1 ARG 84 1.928 5.532 -3.893 679 H LEU 85 H LEU 85 -0.333 3.107 -10.715 680 HA LEU 85 HA LEU 85 -0.611 0.307 -10.833 681 HB2 LEU 85 2HB LEU 85 -2.304 1.806 -9.900 682 HB3 LEU 85 1HB LEU 85 -2.623 2.452 -11.510 683 HG LEU 85 HG LEU 85 -2.755 -0.522 -11.358 684 HD11 LEU 85 1HD1 LEU 85 -3.736 -0.110 -9.199 685 HD12 LEU 85 2HD1 LEU 85 -5.048 -0.468 -10.324 686 HD13 LEU 85 3HD1 LEU 85 -4.729 1.197 -9.838 687 HD21 LEU 85 3HD2 LEU 85 -4.841 1.457 -12.322 688 HD22 LEU 85 1HD2 LEU 85 -4.630 -0.220 -12.824 689 HD23 LEU 85 2HD2 LEU 85 -3.451 1.000 -13.302 690 H ALA 86 H ALA 86 -1.030 2.803 -13.353 691 HA ALA 86 HA ALA 86 -1.113 0.649 -15.397 692 HB1 ALA 86 3HB ALA 86 -2.069 3.509 -15.531 693 HB2 ALA 86 1HB ALA 86 -3.094 2.085 -15.341 694 HB3 ALA 86 2HB ALA 86 -2.185 2.325 -16.835 695 H GLY 87 H GLY 87 0.123 3.947 -14.843 696 HA2 GLY 87 2HA GLY 87 1.847 3.939 -17.109 697 HA3 GLY 87 1HA GLY 87 1.906 5.072 -15.765 698 H ASP 88 H ASP 88 3.310 4.737 -14.093 699 HA ASP 88 HA ASP 88 5.644 3.189 -14.654 700 HB2 ASP 88 2HB ASP 88 4.739 4.728 -12.219 701 HB3 ASP 88 1HB ASP 88 6.276 3.864 -12.279 702 H TYR 89 H TYR 89 6.453 1.993 -12.388 703 HA TYR 89 HA TYR 89 4.726 0.411 -10.941 704 HB2 TYR 89 2HB TYR 89 5.203 -1.774 -12.334 705 HB3 TYR 89 1HB TYR 89 3.839 -0.740 -12.744 706 HD1 TYR 89 HD1 TYR 89 7.518 -1.007 -13.459 707 HD2 TYR 89 HD2 TYR 89 3.604 -0.110 -14.982 708 HE1 TYR 89 HE1 TYR 89 8.475 -0.629 -15.699 709 HE2 TYR 89 HE2 TYR 89 4.566 0.262 -17.231 710 HH TYR 89 HH TYR 89 8.005 -0.322 -17.878 711 H VAL 90 H VAL 90 5.868 -1.702 -10.237 712 HA VAL 90 HA VAL 90 8.804 -1.382 -10.204 713 HB VAL 90 HB VAL 90 7.001 -1.679 -7.789 714 HG11 VAL 90 1HG1 VAL 90 9.977 -2.089 -8.131 715 HG12 VAL 90 2HG1 VAL 90 8.809 -3.182 -7.392 716 HG13 VAL 90 3HG1 VAL 90 9.262 -1.690 -6.569 717 HG21 VAL 90 3HG2 VAL 90 9.137 0.357 -8.498 718 HG22 VAL 90 1HG2 VAL 90 8.085 0.392 -7.083 719 HG23 VAL 90 2HG2 VAL 90 7.405 0.618 -8.694 720 H TYR 91 H TYR 91 9.933 -3.254 -10.257 721 HA TYR 91 HA TYR 91 8.358 -5.770 -10.327 722 HB2 TYR 91 2HB TYR 91 11.062 -5.206 -11.557 723 HB3 TYR 91 1HB TYR 91 10.087 -6.662 -11.757 724 HD1 TYR 91 HD2 TYR 91 7.568 -6.194 -12.541 725 HD2 TYR 91 HD1 TYR 91 10.897 -3.569 -13.215 726 HE1 TYR 91 HE2 TYR 91 6.350 -5.129 -14.422 727 HE2 TYR 91 HE1 TYR 91 9.686 -2.505 -15.085 728 HH TYR 91 HH TYR 91 6.521 -3.721 -16.158 729 H LEU 92 H LEU 92 9.220 -7.610 -9.329 730 HA LEU 92 HA LEU 92 11.425 -7.137 -7.412 731 HB2 LEU 92 2HB LEU 92 9.101 -7.013 -6.372 732 HB3 LEU 92 1HB LEU 92 8.951 -8.730 -6.739 733 HG LEU 92 HG LEU 92 11.339 -7.665 -5.222 734 HD11 LEU 92 1HD1 LEU 92 10.183 -8.156 -3.126 735 HD12 LEU 92 2HD1 LEU 92 8.716 -8.566 -4.016 736 HD13 LEU 92 3HD1 LEU 92 9.328 -6.912 -4.037 737 HD21 LEU 92 3HD2 LEU 92 10.103 -10.370 -5.699 738 HD22 LEU 92 1HD2 LEU 92 11.009 -10.091 -4.210 739 HD23 LEU 92 2HD2 LEU 92 11.794 -9.880 -5.772 740 H PHE 93 H PHE 93 12.985 -8.572 -7.607 741 HA PHE 93 HA PHE 93 12.327 -11.303 -8.560 742 HB2 PHE 93 2HB PHE 93 14.640 -9.587 -9.494 743 HB3 PHE 93 1HB PHE 93 14.394 -11.283 -9.913 744 HD1 PHE 93 HD2 PHE 93 12.090 -11.904 -10.972 745 HD2 PHE 93 HD1 PHE 93 13.662 -7.909 -10.823 746 HE1 PHE 93 HE2 PHE 93 10.573 -11.237 -12.817 747 HE2 PHE 93 HE1 PHE 93 12.149 -7.245 -12.669 748 HZ PHE 93 HZ PHE 93 10.602 -8.907 -13.667 749 H ASP 94 H ASP 94 13.816 -12.938 -7.899 750 HA ASP 94 HA ASP 94 14.948 -12.431 -5.277 751 HB2 ASP 94 2HB ASP 94 15.186 -14.795 -5.101 752 HB3 ASP 94 1HB ASP 94 13.661 -14.524 -5.939 753 H GLU 95 H GLU 95 17.136 -13.684 -4.900 754 HA GLU 95 HA GLU 95 19.110 -12.285 -6.456 755 HB2 GLU 95 2HB GLU 95 19.169 -12.905 -3.927 756 HB3 GLU 95 1HB GLU 95 19.741 -14.474 -4.487 757 HG2 GLU 95 2HG GLU 95 21.604 -13.388 -5.674 758 HG3 GLU 95 1HG GLU 95 21.012 -11.808 -5.174 759 H GLY 96 H GLY 96 17.407 -14.367 -7.783 760 HA2 GLY 96 2HA GLY 96 19.616 -15.839 -9.064 761 HA3 GLY 96 1HA GLY 96 18.257 -16.763 -8.428 762 H GLY 97 H GLY 97 16.873 -13.972 -9.278 763 HA2 GLY 97 2HA GLY 97 15.998 -13.085 -11.279 764 HA3 GLY 97 1HA GLY 97 16.647 -14.467 -12.159 765 H ASP 98 H ASP 98 15.317 -15.884 -9.581 766 HA ASP 98 HA ASP 98 12.890 -16.602 -11.035 767 HB2 ASP 98 2HB ASP 98 14.407 -18.266 -9.841 768 HB3 ASP 98 1HB ASP 98 13.771 -17.620 -8.331 769 H GLU 99 H GLU 99 11.073 -15.473 -10.767 770 HA GLU 99 HA GLU 99 10.657 -13.463 -8.881 771 HB2 GLU 99 2HB GLU 99 8.700 -15.165 -10.431 772 HB3 GLU 99 1HB GLU 99 8.210 -13.781 -9.458 773 HG2 GLU 99 2HG GLU 99 9.648 -12.308 -10.780 774 HG3 GLU 99 1HG GLU 99 10.225 -13.683 -11.719 775 H VAL 100 H VAL 100 11.321 -14.305 -6.847 776 HA VAL 100 HA VAL 100 9.151 -15.528 -5.364 777 HB VAL 100 HB VAL 100 11.806 -16.947 -5.716 778 HG11 VAL 100 1HG1 VAL 100 11.358 -17.066 -3.379 779 HG12 VAL 100 2HG1 VAL 100 10.741 -18.580 -4.040 780 HG13 VAL 100 3HG1 VAL 100 9.627 -17.272 -3.643 781 HG21 VAL 100 3HG2 VAL 100 10.290 -17.627 -7.427 782 HG22 VAL 100 1HG2 VAL 100 8.915 -17.622 -6.320 783 HG23 VAL 100 2HG2 VAL 100 10.152 -18.871 -6.186 784 H ILE 101 H ILE 101 9.114 -14.776 -3.309 785 HA ILE 101 HA ILE 101 10.964 -12.761 -2.526 786 HB ILE 101 HB ILE 101 8.718 -14.210 -1.121 787 HG12 ILE 101 2HG1 ILE 101 7.676 -11.980 -1.229 788 HG13 ILE 101 1HG1 ILE 101 9.133 -11.330 -1.978 789 HG21 ILE 101 1HG2 ILE 101 9.072 -12.372 0.665 790 HG22 ILE 101 2HG2 ILE 101 10.695 -12.213 -0.006 791 HG23 ILE 101 3HG2 ILE 101 10.178 -13.746 0.693 792 HD11 ILE 101 3HD1 ILE 101 7.146 -12.032 -3.517 793 HD12 ILE 101 1HD1 ILE 101 7.702 -13.677 -3.228 794 HD13 ILE 101 2HD1 ILE 101 8.775 -12.502 -3.990 795 H ALA 102 H ALA 102 12.794 -12.897 -1.389 796 HA ALA 102 HA ALA 102 13.315 -15.267 0.241 797 HB1 ALA 102 3HB ALA 102 14.860 -16.194 -1.139 798 HB2 ALA 102 1HB ALA 102 15.710 -14.657 -1.304 799 HB3 ALA 102 2HB ALA 102 14.362 -15.037 -2.371 800 HA PRO 103 HA PRO 103 15.505 -12.735 3.089 801 HB2 PRO 103 2HB PRO 103 18.101 -14.046 2.354 802 HB3 PRO 103 1HB PRO 103 17.358 -13.844 3.951 803 HG2 PRO 103 2HG PRO 103 17.333 -16.199 2.710 804 HG3 PRO 103 1HG PRO 103 15.947 -15.647 3.668 805 HD2 PRO 103 2HD PRO 103 16.248 -15.776 0.690 806 HD3 PRO 103 1HD PRO 103 14.800 -15.998 1.698 807 H ARG 104 H ARG 104 17.158 -13.131 -0.029 808 HA ARG 104 HA ARG 104 18.025 -10.291 0.095 809 HB2 ARG 104 2HB ARG 104 19.343 -12.361 -1.655 810 HB3 ARG 104 1HB ARG 104 19.982 -10.825 -1.079 811 HG2 ARG 104 2HG ARG 104 21.068 -12.163 0.453 812 HG3 ARG 104 1HG ARG 104 19.535 -12.062 1.319 813 HD2 ARG 104 2HD ARG 104 18.794 -14.138 0.126 814 HD3 ARG 104 1HD ARG 104 20.401 -14.257 -0.583 815 HE ARG 104 HE ARG 104 19.675 -14.837 2.167 816 HH11 ARG 104 1HH2 ARG 104 22.156 -14.045 -0.106 817 HH12 ARG 104 2HH2 ARG 104 23.435 -14.709 0.852 818 HH21 ARG 104 1HH1 ARG 104 21.336 -15.705 3.430 819 HH22 ARG 104 2HH1 ARG 104 22.971 -15.651 2.859 820 H MET 105 H MET 105 15.797 -9.936 -0.721 821 HA MET 105 HA MET 105 15.512 -10.536 -3.604 822 HB2 MET 105 2HB MET 105 13.168 -10.086 -3.329 823 HB3 MET 105 1HB MET 105 13.653 -11.188 -2.042 824 HG2 MET 105 2HG MET 105 13.980 -9.128 -0.574 825 HG3 MET 105 1HG MET 105 13.170 -8.206 -1.840 826 HE1 MET 105 3HE MET 105 10.227 -8.228 0.474 827 HE2 MET 105 1HE MET 105 10.984 -7.417 -0.905 828 HE3 MET 105 2HE MET 105 11.911 -7.721 0.561 829 H TYR 106 H TYR 106 15.070 -8.882 -5.063 830 HA TYR 106 HA TYR 106 15.687 -6.141 -4.109 831 HB2 TYR 106 2HB TYR 106 17.460 -7.043 -5.541 832 HB3 TYR 106 1HB TYR 106 16.274 -7.411 -6.795 833 HD1 TYR 106 HD1 TYR 106 17.218 -4.490 -4.607 834 HD2 TYR 106 HD2 TYR 106 16.088 -5.855 -8.527 835 HE1 TYR 106 HE1 TYR 106 17.412 -2.181 -5.468 836 HE2 TYR 106 HE2 TYR 106 16.292 -3.539 -9.385 837 HH TYR 106 HH TYR 106 17.818 -1.069 -7.664 838 H CYS 107 H CYS 107 14.120 -4.712 -4.322 839 HA CYS 107 HA CYS 107 11.996 -5.176 -6.338 840 HB2 CYS 107 2HB CYS 107 11.328 -3.657 -3.856 841 HB3 CYS 107 1HB CYS 107 10.334 -4.768 -4.800 842 HG CYS 107 HG CYS 107 12.469 -6.406 -3.549 843 H SER 108 H SER 108 12.271 -3.740 -7.888 844 HA SER 108 HA SER 108 12.079 -0.942 -7.344 845 HB2 SER 108 2HB SER 108 14.223 -0.166 -7.812 846 HB3 SER 108 1HB SER 108 14.568 -1.624 -6.884 847 HG SER 108 HG SER 108 15.164 -1.032 -9.444 848 H PHE 109 H PHE 109 12.365 0.359 -9.412 849 HA PHE 109 HA PHE 109 10.768 -0.759 -11.455 850 HB2 PHE 109 2HB PHE 109 10.890 1.651 -11.097 851 HB3 PHE 109 1HB PHE 109 12.601 1.650 -11.521 852 HD1 PHE 109 HD2 PHE 109 13.300 0.979 -13.849 853 HD2 PHE 109 HD1 PHE 109 9.197 1.656 -12.783 854 HE1 PHE 109 HE2 PHE 109 12.710 1.185 -16.250 855 HE2 PHE 109 HE1 PHE 109 8.605 1.857 -15.181 856 HZ PHE 109 HZ PHE 109 10.362 1.626 -16.915 857 H SER 110 H SER 110 14.275 -0.130 -11.291 858 HA SER 110 HA SER 110 14.935 -1.044 -13.857 859 HB2 SER 110 2HB SER 110 16.486 -0.905 -11.278 860 HB3 SER 110 1HB SER 110 17.216 -1.520 -12.759 861 HG SER 110 HG SER 110 16.565 1.040 -12.028 862 H ALA 111 H ALA 111 15.597 -3.022 -14.655 863 HA ALA 111 HA ALA 111 14.433 -5.308 -13.342 864 HB1 ALA 111 3HB ALA 111 16.033 -6.003 -15.675 865 HB2 ALA 111 1HB ALA 111 15.019 -4.599 -16.013 866 HB3 ALA 111 2HB ALA 111 14.285 -6.103 -15.461 867 HA PRO 112 HA PRO 112 17.829 -7.340 -11.420 868 HB2 PRO 112 2HB PRO 112 17.874 -9.436 -13.568 869 HB3 PRO 112 1HB PRO 112 17.762 -9.632 -11.807 870 HG2 PRO 112 2HG PRO 112 15.631 -9.963 -13.375 871 HG3 PRO 112 1HG PRO 112 15.494 -9.215 -11.772 872 HD2 PRO 112 2HD PRO 112 15.391 -7.920 -14.471 873 HD3 PRO 112 1HD PRO 112 14.560 -7.475 -12.965 874 H ASP 113 H ASP 113 18.160 -7.333 -14.972 875 HA ASP 113 HA ASP 113 20.975 -7.496 -15.037 876 HB2 ASP 113 2HB ASP 113 18.961 -6.456 -17.024 877 HB3 ASP 113 1HB ASP 113 20.689 -6.522 -17.365 878 H ASP 114 H ASP 114 18.773 -4.779 -14.983 879 HA ASP 114 HA ASP 114 19.134 -2.501 -14.802 880 HB2 ASP 114 2HB ASP 114 19.598 -3.320 -12.508 881 HB3 ASP 114 1HB ASP 114 21.300 -3.485 -12.932 Start of MODEL 3 1 HA2 GLY 1 2HA GLY 1 -0.011 -8.413 14.721 2 HA3 GLY 1 1HA GLY 1 -0.319 -10.140 14.525 3 H LYS 2 H LYS 2 -2.796 -10.564 15.350 4 HA LYS 2 HA LYS 2 -4.416 -9.202 13.366 5 HB2 LYS 2 2HB LYS 2 -4.439 -11.727 14.055 6 HB3 LYS 2 1HB LYS 2 -5.523 -11.175 15.331 7 HG2 LYS 2 2HG LYS 2 -6.868 -10.002 13.519 8 HG3 LYS 2 1HG LYS 2 -5.889 -10.872 12.339 9 HD2 LYS 2 2HD LYS 2 -7.483 -12.188 14.541 10 HD3 LYS 2 1HD LYS 2 -8.043 -12.013 12.882 11 HE2 LYS 2 2HE LYS 2 -5.843 -13.195 12.212 12 HE3 LYS 2 1HE LYS 2 -5.730 -13.650 13.912 13 HZ1 LYS 2 3HZ LYS 2 -8.305 -14.107 12.660 14 HZ2 LYS 2 1HZ LYS 2 -7.432 -15.081 13.741 15 HZ3 LYS 2 2HZ LYS 2 -7.035 -15.081 12.090 16 H LYS 3 H LYS 3 -6.514 -8.275 13.889 17 HA LYS 3 HA LYS 3 -6.501 -6.172 15.624 18 HB2 LYS 3 2HB LYS 3 -8.848 -7.890 14.800 19 HB3 LYS 3 1HB LYS 3 -9.014 -6.348 15.639 20 HG2 LYS 3 2HG LYS 3 -7.789 -5.222 13.816 21 HG3 LYS 3 1HG LYS 3 -7.629 -6.765 12.973 22 HD2 LYS 3 2HD LYS 3 -10.081 -6.953 12.831 23 HD3 LYS 3 1HD LYS 3 -10.253 -5.420 13.688 24 HE2 LYS 3 2HE LYS 3 -9.032 -4.268 11.880 25 HE3 LYS 3 1HE LYS 3 -8.859 -5.799 11.020 26 HZ1 LYS 3 3HZ LYS 3 -10.730 -4.529 10.184 27 HZ2 LYS 3 1HZ LYS 3 -11.428 -4.489 11.729 28 HZ3 LYS 3 2HZ LYS 3 -11.265 -5.968 10.907 29 H VAL 4 H VAL 4 -7.631 -9.472 16.363 30 HA VAL 4 HA VAL 4 -7.913 -8.752 19.205 31 HB VAL 4 HB VAL 4 -9.718 -10.033 17.990 32 HG11 VAL 4 1HG1 VAL 4 -9.375 -12.272 17.315 33 HG12 VAL 4 2HG1 VAL 4 -7.863 -12.402 18.211 34 HG13 VAL 4 3HG1 VAL 4 -7.931 -11.442 16.735 35 HG21 VAL 4 3HG2 VAL 4 -9.948 -11.728 19.843 36 HG22 VAL 4 1HG2 VAL 4 -9.609 -10.092 20.412 37 HG23 VAL 4 2HG2 VAL 4 -8.320 -11.296 20.368 38 H GLU 5 H GLU 5 -6.379 -9.237 20.633 39 HA GLU 5 HA GLU 5 -3.882 -10.277 19.977 40 HB2 GLU 5 2HB GLU 5 -5.324 -10.186 22.634 41 HB3 GLU 5 1HB GLU 5 -3.624 -10.623 22.455 42 HG2 GLU 5 2HG GLU 5 -3.131 -8.457 21.450 43 HG3 GLU 5 1HG GLU 5 -4.837 -8.017 21.492 44 H PHE 6 H PHE 6 -3.017 -12.275 21.343 45 HA PHE 6 HA PHE 6 -4.810 -14.544 21.423 46 HB2 PHE 6 2HB PHE 6 -2.789 -14.199 19.219 47 HB3 PHE 6 1HB PHE 6 -3.200 -15.814 19.795 48 HD1 PHE 6 HD2 PHE 6 -5.765 -16.304 20.044 49 HD2 PHE 6 HD1 PHE 6 -4.112 -13.238 17.536 50 HE1 PHE 6 HE2 PHE 6 -7.845 -16.289 18.697 51 HE2 PHE 6 HE1 PHE 6 -6.191 -13.226 16.190 52 HZ PHE 6 HZ PHE 6 -8.057 -14.749 16.767 53 H ASN 7 H ASN 7 -3.692 -13.758 23.593 54 HA ASN 7 HA ASN 7 -1.988 -14.018 25.179 55 HB2 ASN 7 2HB ASN 7 -2.607 -16.818 24.211 56 HB3 ASN 7 1HB ASN 7 -1.737 -16.453 25.701 57 HD21 ASN 7 1HD2 ASN 7 -3.670 -13.917 25.759 58 HD22 ASN 7 2HD2 ASN 7 -5.064 -14.560 26.482 59 H ASP 8 H ASP 8 -0.953 -16.860 23.444 60 HA ASP 8 HA ASP 8 1.467 -15.522 22.454 61 HB2 ASP 8 2HB ASP 8 2.923 -17.199 23.474 62 HB3 ASP 8 1HB ASP 8 2.043 -16.303 24.710 63 H LYS 9 H LYS 9 2.904 -17.618 21.609 64 HA LYS 9 HA LYS 9 1.319 -18.542 19.382 65 HB2 LYS 9 2HB LYS 9 3.512 -19.683 18.742 66 HB3 LYS 9 1HB LYS 9 3.535 -17.921 18.826 67 HG2 LYS 9 2HG LYS 9 4.631 -17.933 20.938 68 HG3 LYS 9 1HG LYS 9 4.305 -19.650 21.183 69 HD2 LYS 9 2HD LYS 9 5.751 -20.153 19.198 70 HD3 LYS 9 1HD LYS 9 6.161 -18.439 19.113 71 HE2 LYS 9 2HE LYS 9 7.102 -18.520 21.370 72 HE3 LYS 9 1HE LYS 9 6.628 -20.211 21.528 73 HZ1 LYS 9 3HZ LYS 9 8.458 -20.831 20.477 74 HZ2 LYS 9 1HZ LYS 9 8.980 -19.218 20.458 75 HZ3 LYS 9 2HZ LYS 9 8.097 -19.838 19.147 76 HA PRO 10 HA PRO 10 0.257 -22.503 21.087 77 HB2 PRO 10 2HB PRO 10 -0.006 -23.987 18.795 78 HB3 PRO 10 1HB PRO 10 -1.189 -22.762 19.299 79 HG2 PRO 10 2HG PRO 10 1.014 -22.553 17.289 80 HG3 PRO 10 1HG PRO 10 -0.651 -21.946 17.201 81 HD2 PRO 10 2HD PRO 10 1.459 -20.328 17.825 82 HD3 PRO 10 1HD PRO 10 -0.175 -20.061 18.473 83 H LYS 11 H LYS 11 2.528 -22.588 21.993 84 HA LYS 11 HA LYS 11 4.647 -23.876 20.672 85 HB2 LYS 11 2HB LYS 11 4.860 -22.591 22.784 86 HB3 LYS 11 1HB LYS 11 4.034 -23.896 23.633 87 HG2 LYS 11 2HG LYS 11 5.800 -25.475 22.935 88 HG3 LYS 11 1HG LYS 11 6.629 -24.175 22.085 89 HD2 LYS 11 2HD LYS 11 5.979 -23.982 25.029 90 HD3 LYS 11 1HD LYS 11 7.456 -24.754 24.463 91 HE2 LYS 11 2HE LYS 11 7.930 -22.600 23.164 92 HE3 LYS 11 1HE LYS 11 6.610 -21.871 24.077 93 HZ1 LYS 11 3HZ LYS 11 8.099 -23.124 25.970 94 HZ2 LYS 11 1HZ LYS 11 8.121 -21.464 25.625 95 HZ3 LYS 11 2HZ LYS 11 9.270 -22.493 24.911 96 H VAL 12 H VAL 12 1.970 -25.132 22.600 97 HA VAL 12 HA VAL 12 2.898 -27.840 22.605 98 HB VAL 12 HB VAL 12 0.136 -26.688 23.078 99 HG11 VAL 12 1HG1 VAL 12 -0.101 -28.951 24.318 100 HG12 VAL 12 2HG1 VAL 12 1.277 -29.474 23.347 101 HG13 VAL 12 3HG1 VAL 12 -0.217 -28.970 22.558 102 HG21 VAL 12 3HG2 VAL 12 0.697 -26.878 25.425 103 HG22 VAL 12 1HG2 VAL 12 1.999 -25.988 24.638 104 HG23 VAL 12 2HG2 VAL 12 2.217 -27.690 25.046 105 H ARG 13 H ARG 13 -0.110 -26.642 21.138 106 HA ARG 13 HA ARG 13 -0.411 -28.738 19.318 107 HB2 ARG 13 2HB ARG 13 -1.344 -25.885 18.938 108 HB3 ARG 13 1HB ARG 13 -2.035 -27.325 18.197 109 HG2 ARG 13 2HG ARG 13 -1.924 -26.865 21.193 110 HG3 ARG 13 1HG ARG 13 -3.321 -26.464 20.196 111 HD2 ARG 13 2HD ARG 13 -3.298 -28.889 19.414 112 HD3 ARG 13 1HD ARG 13 -2.120 -29.192 20.686 113 HE ARG 13 HE ARG 13 -4.602 -27.918 21.533 114 HH11 ARG 13 1HH2 ARG 13 -2.727 -30.802 21.115 115 HH12 ARG 13 2HH2 ARG 13 -3.632 -31.720 22.271 116 HH21 ARG 13 1HH1 ARG 13 -5.792 -29.121 23.042 117 HH22 ARG 13 2HH1 ARG 13 -5.368 -30.769 23.360 118 H LYS 14 H LYS 14 -0.471 -28.382 16.879 119 HA LYS 14 HA LYS 14 2.153 -28.103 15.939 120 HB2 LYS 14 2HB LYS 14 1.161 -28.163 13.688 121 HB3 LYS 14 1HB LYS 14 0.452 -29.392 14.736 122 HG2 LYS 14 2HG LYS 14 -1.437 -27.835 15.218 123 HG3 LYS 14 1HG LYS 14 -0.751 -26.689 14.067 124 HD2 LYS 14 2HD LYS 14 -0.950 -28.344 12.268 125 HD3 LYS 14 1HD LYS 14 -1.598 -29.524 13.409 126 HE2 LYS 14 2HE LYS 14 -3.411 -28.416 12.143 127 HE3 LYS 14 1HE LYS 14 -3.513 -28.044 13.863 128 HZ1 LYS 14 3HZ LYS 14 -2.899 -25.901 13.537 129 HZ2 LYS 14 1HZ LYS 14 -3.621 -26.177 12.027 130 HZ3 LYS 14 2HZ LYS 14 -1.931 -26.251 12.187 131 H ILE 15 H ILE 15 3.272 -26.481 15.018 132 HA ILE 15 HA ILE 15 2.537 -23.839 15.691 133 HB ILE 15 HB ILE 15 4.547 -23.451 13.877 134 HG12 ILE 15 2HG1 ILE 15 5.124 -26.187 15.022 135 HG13 ILE 15 1HG1 ILE 15 4.379 -25.992 13.436 136 HG21 ILE 15 1HG2 ILE 15 4.691 -22.754 16.184 137 HG22 ILE 15 2HG2 ILE 15 6.109 -23.740 15.824 138 HG23 ILE 15 3HG2 ILE 15 4.765 -24.426 16.736 139 HD11 ILE 15 3HD1 ILE 15 7.017 -24.766 14.287 140 HD12 ILE 15 1HD1 ILE 15 6.272 -24.619 12.695 141 HD13 ILE 15 2HD1 ILE 15 6.837 -26.190 13.261 142 HA PRO 16 HA PRO 16 0.193 -22.284 12.301 143 HB2 PRO 16 2HB PRO 16 2.278 -20.190 11.822 144 HB3 PRO 16 1HB PRO 16 0.541 -19.998 12.127 145 HG2 PRO 16 2HG PRO 16 2.349 -19.442 14.004 146 HG3 PRO 16 1HG PRO 16 0.791 -20.182 14.411 147 HD2 PRO 16 2HD PRO 16 3.501 -21.449 14.286 148 HD3 PRO 16 1HD PRO 16 2.136 -21.784 15.373 149 H SER 17 H SER 17 0.023 -22.544 10.091 150 HA SER 17 HA SER 17 2.390 -23.622 8.697 151 HB2 SER 17 2HB SER 17 0.639 -25.179 8.555 152 HB3 SER 17 1HB SER 17 -0.576 -23.927 8.303 153 HG SER 17 HG SER 17 1.153 -25.139 6.520 154 H THR 18 H THR 18 1.186 -20.702 9.127 155 HA THR 18 HA THR 18 1.384 -19.866 6.288 156 HB THR 18 HB THR 18 -0.709 -19.132 7.045 157 HG1 THR 18 HG1 THR 18 0.562 -16.865 7.951 158 HG21 THR 18 3HG2 THR 18 -0.907 -17.950 9.294 159 HG22 THR 18 1HG2 THR 18 0.704 -18.573 9.651 160 HG23 THR 18 2HG2 THR 18 -0.628 -19.690 9.347 161 H ARG 19 H ARG 19 2.091 -17.394 6.287 162 HA ARG 19 HA ARG 19 4.392 -16.994 8.091 163 HB2 ARG 19 2HB ARG 19 5.823 -16.408 6.185 164 HB3 ARG 19 1HB ARG 19 5.261 -18.076 6.053 165 HG2 ARG 19 2HG ARG 19 3.439 -17.307 4.538 166 HG3 ARG 19 1HG ARG 19 4.098 -15.673 4.615 167 HD2 ARG 19 2HD ARG 19 6.243 -16.501 3.708 168 HD3 ARG 19 1HD ARG 19 5.560 -18.121 3.598 169 HE ARG 19 HE ARG 19 4.014 -16.115 2.203 170 HH11 ARG 19 1HH2 ARG 19 6.665 -18.334 2.087 171 HH12 ARG 19 2HH2 ARG 19 6.637 -18.490 0.362 172 HH21 ARG 19 1HH1 ARG 19 3.972 -16.312 -0.059 173 HH22 ARG 19 2HH1 ARG 19 5.114 -17.345 -0.854 174 H LYS 20 H LYS 20 5.294 -14.764 7.827 175 HA LYS 20 HA LYS 20 3.128 -12.822 7.274 176 HB2 LYS 20 2HB LYS 20 5.315 -12.773 9.357 177 HB3 LYS 20 1HB LYS 20 4.276 -11.396 8.988 178 HG2 LYS 20 2HG LYS 20 2.287 -12.736 9.547 179 HG3 LYS 20 1HG LYS 20 3.315 -14.125 9.906 180 HD2 LYS 20 2HD LYS 20 4.435 -12.837 11.689 181 HD3 LYS 20 1HD LYS 20 3.406 -11.449 11.332 182 HE2 LYS 20 2HE LYS 20 1.407 -12.784 11.887 183 HE3 LYS 20 1HE LYS 20 2.432 -14.175 12.242 184 HZ1 LYS 20 3HZ LYS 20 3.037 -13.330 14.205 185 HZ2 LYS 20 1HZ LYS 20 1.664 -12.349 14.052 186 HZ3 LYS 20 2HZ LYS 20 3.190 -11.747 13.606 187 H ILE 21 H ILE 21 3.639 -10.924 6.237 188 HA ILE 21 HA ILE 21 6.371 -10.678 5.119 189 HB ILE 21 HB ILE 21 4.659 -11.638 3.495 190 HG12 ILE 21 2HG1 ILE 21 6.003 -8.994 2.881 191 HG13 ILE 21 1HG1 ILE 21 6.734 -10.589 2.753 192 HG21 ILE 21 1HG2 ILE 21 3.618 -8.811 3.312 193 HG22 ILE 21 2HG2 ILE 21 2.861 -9.976 4.397 194 HG23 ILE 21 3HG2 ILE 21 2.915 -10.294 2.665 195 HD11 ILE 21 3HD1 ILE 21 4.429 -9.509 1.113 196 HD12 ILE 21 1HD1 ILE 21 4.957 -11.191 1.079 197 HD13 ILE 21 2HD1 ILE 21 6.046 -9.914 0.539 198 H LYS 22 H LYS 22 7.239 -8.804 5.635 199 HA LYS 22 HA LYS 22 5.500 -6.567 6.462 200 HB2 LYS 22 2HB LYS 22 7.336 -7.333 7.971 201 HB3 LYS 22 1HB LYS 22 8.494 -6.854 6.727 202 HG2 LYS 22 2HG LYS 22 7.732 -4.552 6.828 203 HG3 LYS 22 1HG LYS 22 6.444 -4.989 7.948 204 HD2 LYS 22 2HD LYS 22 8.135 -5.702 9.605 205 HD3 LYS 22 1HD LYS 22 9.417 -5.226 8.490 206 HE2 LYS 22 2HE LYS 22 8.589 -2.904 8.522 207 HE3 LYS 22 1HE LYS 22 7.296 -3.376 9.625 208 HZ1 LYS 22 3HZ LYS 22 10.187 -3.179 10.124 209 HZ2 LYS 22 1HZ LYS 22 9.265 -4.279 11.028 210 HZ3 LYS 22 2HZ LYS 22 8.891 -2.621 11.069 211 H ILE 23 H ILE 23 5.098 -4.990 5.062 212 HA ILE 23 HA ILE 23 6.803 -4.715 2.675 213 HB ILE 23 HB ILE 23 4.204 -3.271 3.185 214 HG12 ILE 23 2HG1 ILE 23 3.683 -5.599 3.560 215 HG13 ILE 23 1HG1 ILE 23 3.138 -5.187 1.935 216 HG21 ILE 23 1HG2 ILE 23 4.102 -3.263 0.741 217 HG22 ILE 23 2HG2 ILE 23 5.570 -4.238 0.654 218 HG23 ILE 23 3HG2 ILE 23 5.642 -2.585 1.271 219 HD11 ILE 23 3HD1 ILE 23 5.427 -6.050 1.130 220 HD12 ILE 23 1HD1 ILE 23 4.274 -7.258 1.688 221 HD13 ILE 23 2HD1 ILE 23 5.594 -6.752 2.737 222 H THR 24 H THR 24 8.392 -3.282 2.808 223 HA THR 24 HA THR 24 7.856 -0.583 3.758 224 HB THR 24 HB THR 24 9.999 -2.291 5.049 225 HG1 THR 24 HG1 THR 24 7.417 -1.747 5.647 226 HG21 THR 24 3HG2 THR 24 9.246 0.629 5.324 227 HG22 THR 24 1HG2 THR 24 10.790 -0.025 4.782 228 HG23 THR 24 2HG2 THR 24 10.290 -0.220 6.462 229 H PHE 25 H PHE 25 8.657 0.662 2.207 230 HA PHE 25 HA PHE 25 11.300 0.009 1.049 231 HB2 PHE 25 2HB PHE 25 8.781 0.756 -0.454 232 HB3 PHE 25 1HB PHE 25 10.397 0.817 -1.162 233 HD1 PHE 25 HD2 PHE 25 11.757 -1.273 -1.373 234 HD2 PHE 25 HD1 PHE 25 7.661 -1.339 -0.071 235 HE1 PHE 25 HE2 PHE 25 11.651 -3.708 -1.824 236 HE2 PHE 25 HE1 PHE 25 7.558 -3.775 -0.524 237 HZ PHE 25 HZ PHE 25 9.553 -4.959 -1.401 238 H ALA 26 H ALA 26 12.624 1.717 0.756 239 HA ALA 26 HA ALA 26 12.109 4.139 2.115 240 HB1 ALA 26 3HB ALA 26 14.197 3.487 0.021 241 HB2 ALA 26 1HB ALA 26 14.389 3.336 1.767 242 HB3 ALA 26 2HB ALA 26 14.203 4.929 1.035 243 H LEU 27 H LEU 27 11.559 6.163 1.415 244 HA LEU 27 HA LEU 27 10.872 6.534 -1.430 245 HB2 LEU 27 2HB LEU 27 9.007 6.977 0.911 246 HB3 LEU 27 1HB LEU 27 8.712 7.608 -0.711 247 HG LEU 27 HG LEU 27 9.143 4.672 -0.072 248 HD11 LEU 27 1HD1 LEU 27 6.634 4.576 -0.631 249 HD12 LEU 27 2HD1 LEU 27 6.629 6.312 -0.323 250 HD13 LEU 27 3HD1 LEU 27 7.097 5.190 0.954 251 HD21 LEU 27 3HD2 LEU 27 7.888 4.622 -2.432 252 HD22 LEU 27 1HD2 LEU 27 9.635 4.820 -2.337 253 HD23 LEU 27 2HD2 LEU 27 8.603 6.228 -2.586 254 H ASP 28 H ASP 28 10.098 8.487 1.418 255 HA ASP 28 HA ASP 28 12.260 10.350 0.893 256 HB2 ASP 28 2HB ASP 28 10.744 12.272 0.502 257 HB3 ASP 28 1HB ASP 28 10.661 11.075 -0.792 258 H ALA 29 H ALA 29 9.014 10.366 2.392 259 HA ALA 29 HA ALA 29 9.928 10.201 5.049 260 HB1 ALA 29 3HB ALA 29 9.378 12.641 5.656 261 HB2 ALA 29 1HB ALA 29 9.580 12.982 3.936 262 HB3 ALA 29 2HB ALA 29 10.927 12.336 4.872 263 H THR 30 H THR 30 7.549 12.352 3.493 264 HA THR 30 HA THR 30 5.450 11.713 5.261 265 HB THR 30 HB THR 30 4.172 13.158 3.992 266 HG1 THR 30 HG1 THR 30 4.113 11.677 2.214 267 HG21 THR 30 3HG2 THR 30 6.769 13.782 2.605 268 HG22 THR 30 1HG2 THR 30 6.574 14.077 4.332 269 HG23 THR 30 2HG2 THR 30 5.530 14.900 3.174 270 H PHE 31 H PHE 31 6.071 10.599 1.934 271 HA PHE 31 HA PHE 31 3.897 8.768 1.915 272 HB2 PHE 31 2HB PHE 31 6.385 8.730 0.194 273 HB3 PHE 31 1HB PHE 31 4.851 7.931 -0.153 274 HD1 PHE 31 HD2 PHE 31 2.727 9.583 0.049 275 HD2 PHE 31 HD1 PHE 31 6.750 10.789 -0.853 276 HE1 PHE 31 HE2 PHE 31 1.872 11.658 -1.002 277 HE2 PHE 31 HE1 PHE 31 5.892 12.867 -1.900 278 HZ PHE 31 HZ PHE 31 3.455 13.302 -1.974 279 H ASP 32 H ASP 32 7.071 8.671 3.201 280 HA ASP 32 HA ASP 32 7.460 5.832 3.162 281 HB2 ASP 32 2HB ASP 32 9.342 7.395 3.402 282 HB3 ASP 32 1HB ASP 32 8.699 7.933 4.950 283 H SER 33 H SER 33 6.515 8.106 5.749 284 HA SER 33 HA SER 33 5.948 6.061 7.649 285 HB2 SER 33 2HB SER 33 4.852 7.877 8.921 286 HB3 SER 33 1HB SER 33 6.446 8.351 8.344 287 HG SER 33 HG SER 33 5.166 9.170 6.447 288 H VAL 34 H VAL 34 3.947 7.914 5.382 289 HA VAL 34 HA VAL 34 1.445 6.920 6.239 290 HB VAL 34 HB VAL 34 2.355 7.955 3.544 291 HG11 VAL 34 1HG1 VAL 34 0.395 6.660 3.115 292 HG12 VAL 34 2HG1 VAL 34 -0.159 8.327 3.250 293 HG13 VAL 34 3HG1 VAL 34 -0.381 7.211 4.599 294 HG21 VAL 34 3HG2 VAL 34 1.436 10.040 4.257 295 HG22 VAL 34 1HG2 VAL 34 2.391 9.461 5.621 296 HG23 VAL 34 2HG2 VAL 34 0.637 9.298 5.643 297 H LEU 35 H LEU 35 3.689 5.824 3.717 298 HA LEU 35 HA LEU 35 2.093 3.701 2.773 299 HB2 LEU 35 2HB LEU 35 3.997 4.523 1.490 300 HB3 LEU 35 1HB LEU 35 5.107 4.017 2.764 301 HG LEU 35 HG LEU 35 4.488 1.666 2.411 302 HD11 LEU 35 1HD1 LEU 35 2.249 1.611 1.749 303 HD12 LEU 35 2HD1 LEU 35 3.066 1.277 0.223 304 HD13 LEU 35 3HD1 LEU 35 2.458 2.897 0.562 305 HD21 LEU 35 3HD2 LEU 35 5.590 1.348 0.318 306 HD22 LEU 35 1HD2 LEU 35 6.250 2.841 0.985 307 HD23 LEU 35 2HD2 LEU 35 5.035 2.907 -0.293 308 H SER 36 H SER 36 4.586 3.853 5.294 309 HA SER 36 HA SER 36 4.710 1.109 5.873 310 HB2 SER 36 2HB SER 36 5.610 1.825 8.063 311 HB3 SER 36 1HB SER 36 6.348 2.709 6.732 312 HG SER 36 HG SER 36 4.081 3.914 7.574 313 H LYS 37 H LYS 37 2.642 3.671 7.204 314 HA LYS 37 HA LYS 37 1.307 2.044 9.102 315 HB2 LYS 37 2HB LYS 37 0.508 4.612 7.725 316 HB3 LYS 37 1HB LYS 37 -0.453 3.854 8.996 317 HG2 LYS 37 2HG LYS 37 1.463 3.977 10.537 318 HG3 LYS 37 1HG LYS 37 2.443 4.710 9.269 319 HD2 LYS 37 2HD LYS 37 0.883 6.617 9.156 320 HD3 LYS 37 1HD LYS 37 -0.104 5.883 10.420 321 HE2 LYS 37 2HE LYS 37 1.805 5.989 11.978 322 HE3 LYS 37 1HE LYS 37 2.799 6.714 10.716 323 HZ1 LYS 37 3HZ LYS 37 2.041 8.555 11.821 324 HZ2 LYS 37 1HZ LYS 37 0.535 7.866 12.192 325 HZ3 LYS 37 2HZ LYS 37 0.852 8.409 10.615 326 H ALA 38 H ALA 38 0.601 2.872 5.735 327 HA ALA 38 HA ALA 38 -1.945 1.709 5.546 328 HB1 ALA 38 3HB ALA 38 0.223 2.067 3.467 329 HB2 ALA 38 1HB ALA 38 -1.145 3.136 3.780 330 HB3 ALA 38 2HB ALA 38 -1.414 1.531 3.095 331 H CYS 39 H CYS 39 1.204 0.286 5.708 332 HA CYS 39 HA CYS 39 0.083 -2.359 5.918 333 HB2 CYS 39 2HB CYS 39 1.494 -1.495 3.418 334 HB3 CYS 39 1HB CYS 39 1.705 -3.149 3.992 335 HG CYS 39 HG CYS 39 -0.832 -3.555 3.730 336 H SER 40 H SER 40 1.287 -1.404 7.942 337 HA SER 40 HA SER 40 4.135 -1.430 7.946 338 HB2 SER 40 2HB SER 40 3.913 -1.424 10.394 339 HB3 SER 40 1HB SER 40 2.831 -0.247 9.658 340 HG SER 40 HG SER 40 1.135 -1.487 10.128 341 H GLU 41 H GLU 41 1.761 -3.896 7.979 342 HA GLU 41 HA GLU 41 3.667 -5.981 7.800 343 HB2 GLU 41 2HB GLU 41 2.933 -7.137 9.974 344 HB3 GLU 41 1HB GLU 41 4.072 -5.801 10.125 345 HG2 GLU 41 2HG GLU 41 2.269 -4.268 10.686 346 HG3 GLU 41 1HG GLU 41 1.067 -5.529 10.414 347 H PHE 42 H PHE 42 2.736 -7.805 6.988 348 HA PHE 42 HA PHE 42 -0.218 -8.021 7.067 349 HB2 PHE 42 2HB PHE 42 1.465 -7.507 4.751 350 HB3 PHE 42 1HB PHE 42 0.637 -9.047 4.548 351 HD1 PHE 42 HD1 PHE 42 0.047 -5.480 5.508 352 HD2 PHE 42 HD2 PHE 42 -1.617 -9.087 3.876 353 HE1 PHE 42 HE1 PHE 42 -2.051 -4.274 4.973 354 HE2 PHE 42 HE2 PHE 42 -3.711 -7.881 3.338 355 HZ PHE 42 HZ PHE 42 -3.930 -5.473 3.888 356 H GLU 43 H GLU 43 -1.033 -10.143 6.739 357 HA GLU 43 HA GLU 43 0.913 -12.286 7.371 358 HB2 GLU 43 2HB GLU 43 -0.616 -11.696 9.254 359 HB3 GLU 43 1HB GLU 43 -1.981 -12.142 8.228 360 HG2 GLU 43 2HG GLU 43 -1.063 -14.412 7.976 361 HG3 GLU 43 1HG GLU 43 0.318 -13.970 8.978 362 H VAL 44 H VAL 44 1.174 -13.543 5.643 363 HA VAL 44 HA VAL 44 -1.204 -14.210 3.990 364 HB VAL 44 HB VAL 44 0.364 -14.444 2.085 365 HG11 VAL 44 1HG1 VAL 44 0.813 -12.004 1.809 366 HG12 VAL 44 2HG1 VAL 44 0.396 -11.764 3.505 367 HG13 VAL 44 3HG1 VAL 44 -0.827 -12.335 2.371 368 HG21 VAL 44 3HG2 VAL 44 2.646 -13.326 2.436 369 HG22 VAL 44 1HG2 VAL 44 2.442 -14.924 3.152 370 HG23 VAL 44 2HG2 VAL 44 2.345 -13.485 4.166 371 H ASP 45 H ASP 45 -1.626 -16.302 3.699 372 HA ASP 45 HA ASP 45 0.096 -18.273 5.029 373 HB2 ASP 45 2HB ASP 45 -2.604 -18.748 3.762 374 HB3 ASP 45 1HB ASP 45 -1.779 -19.736 4.969 375 H LYS 46 H LYS 46 1.096 -19.947 3.986 376 HA LYS 46 HA LYS 46 2.056 -19.690 1.420 377 HB2 LYS 46 2HB LYS 46 2.876 -21.339 3.100 378 HB3 LYS 46 1HB LYS 46 1.433 -22.310 2.802 379 HG2 LYS 46 2HG LYS 46 2.052 -22.578 0.453 380 HG3 LYS 46 1HG LYS 46 3.456 -21.532 0.681 381 HD2 LYS 46 2HD LYS 46 4.383 -23.129 2.317 382 HD3 LYS 46 1HD LYS 46 2.981 -24.176 2.091 383 HE2 LYS 46 2HE LYS 46 4.849 -24.978 0.720 384 HE3 LYS 46 1HE LYS 46 3.550 -24.387 -0.318 385 HZ1 LYS 46 3HZ LYS 46 4.708 -22.451 -0.800 386 HZ2 LYS 46 1HZ LYS 46 5.920 -23.638 -0.824 387 HZ3 LYS 46 2HZ LYS 46 5.757 -22.617 0.525 388 H ASP 47 H ASP 47 0.681 -19.206 -0.206 389 HA ASP 47 HA ASP 47 -0.609 -21.052 -1.738 390 HB2 ASP 47 2HB ASP 47 -3.081 -20.533 -1.116 391 HB3 ASP 47 1HB ASP 47 -2.216 -21.699 -0.128 392 H VAL 48 H VAL 48 0.701 -18.387 -1.722 393 HA VAL 48 HA VAL 48 -1.156 -17.032 -3.566 394 HB VAL 48 HB VAL 48 -0.560 -14.849 -2.568 395 HG11 VAL 48 1HG1 VAL 48 -1.956 -15.063 -0.576 396 HG12 VAL 48 2HG1 VAL 48 -1.686 -16.804 -0.538 397 HG13 VAL 48 3HG1 VAL 48 -2.610 -16.083 -1.856 398 HG21 VAL 48 3HG2 VAL 48 0.450 -14.995 -0.209 399 HG22 VAL 48 1HG2 VAL 48 1.557 -15.270 -1.555 400 HG23 VAL 48 2HG2 VAL 48 0.930 -16.638 -0.635 401 H THR 49 H THR 49 -0.194 -16.222 -5.338 402 HA THR 49 HA THR 49 2.684 -16.697 -5.651 403 HB THR 49 HB THR 49 2.283 -16.395 -8.022 404 HG1 THR 49 HG1 THR 49 -0.435 -15.921 -7.489 405 HG21 THR 49 3HG2 THR 49 0.857 -18.264 -8.406 406 HG22 THR 49 1HG2 THR 49 -0.076 -17.944 -6.944 407 HG23 THR 49 2HG2 THR 49 1.580 -18.541 -6.820 408 H LEU 50 H LEU 50 4.074 -15.072 -6.507 409 HA LEU 50 HA LEU 50 4.179 -12.675 -5.224 410 HB2 LEU 50 2HB LEU 50 5.469 -11.840 -7.281 411 HB3 LEU 50 1HB LEU 50 6.082 -13.278 -6.470 412 HG LEU 50 HG LEU 50 4.075 -13.863 -8.587 413 HD11 LEU 50 1HD1 LEU 50 5.065 -12.108 -9.826 414 HD12 LEU 50 2HD1 LEU 50 5.861 -13.574 -10.396 415 HD13 LEU 50 3HD1 LEU 50 6.686 -12.506 -9.258 416 HD21 LEU 50 3HD2 LEU 50 5.622 -15.479 -7.282 417 HD22 LEU 50 1HD2 LEU 50 6.905 -14.907 -8.346 418 HD23 LEU 50 2HD2 LEU 50 5.492 -15.717 -9.024 419 H ASP 51 H ASP 51 2.398 -13.382 -8.187 420 HA ASP 51 HA ASP 51 1.667 -10.755 -8.864 421 HB2 ASP 51 2HB ASP 51 0.303 -13.414 -9.320 422 HB3 ASP 51 1HB ASP 51 -0.299 -11.901 -9.994 423 H GLU 52 H GLU 52 0.101 -13.152 -6.768 424 HA GLU 52 HA GLU 52 -2.179 -11.583 -6.154 425 HB2 GLU 52 2HB GLU 52 -0.852 -13.853 -4.661 426 HB3 GLU 52 1HB GLU 52 -2.391 -13.132 -4.184 427 HG2 GLU 52 2HG GLU 52 -3.310 -13.671 -6.431 428 HG3 GLU 52 1HG GLU 52 -1.784 -14.454 -6.845 429 H LEU 53 H LEU 53 1.044 -11.823 -4.743 430 HA LEU 53 HA LEU 53 0.538 -10.389 -2.368 431 HB2 LEU 53 2HB LEU 53 2.973 -10.977 -4.018 432 HB3 LEU 53 1HB LEU 53 3.105 -9.799 -2.714 433 HG LEU 53 HG LEU 53 1.999 -12.603 -2.373 434 HD11 LEU 53 1HD1 LEU 53 4.785 -11.490 -2.008 435 HD12 LEU 53 2HD1 LEU 53 4.284 -12.902 -2.936 436 HD13 LEU 53 3HD1 LEU 53 4.243 -12.950 -1.178 437 HD21 LEU 53 3HD2 LEU 53 2.881 -11.755 0.098 438 HD22 LEU 53 1HD2 LEU 53 1.217 -11.609 -0.464 439 HD23 LEU 53 2HD2 LEU 53 2.314 -10.236 -0.593 440 H LEU 54 H LEU 54 1.638 -9.280 -5.570 441 HA LEU 54 HA LEU 54 1.818 -6.556 -4.832 442 HB2 LEU 54 2HB LEU 54 1.688 -8.079 -7.398 443 HB3 LEU 54 1HB LEU 54 1.369 -6.347 -7.473 444 HG LEU 54 HG LEU 54 3.526 -5.906 -6.348 445 HD11 LEU 54 1HD1 LEU 54 3.875 -8.908 -6.525 446 HD12 LEU 54 2HD1 LEU 54 3.685 -7.981 -5.041 447 HD13 LEU 54 3HD1 LEU 54 5.121 -7.768 -6.038 448 HD21 LEU 54 3HD2 LEU 54 3.615 -5.882 -8.729 449 HD22 LEU 54 1HD2 LEU 54 3.534 -7.638 -8.828 450 HD23 LEU 54 2HD2 LEU 54 4.995 -6.855 -8.225 451 H ASP 55 H ASP 55 -0.815 -8.491 -6.177 452 HA ASP 55 HA ASP 55 -2.619 -6.357 -6.574 453 HB2 ASP 55 2HB ASP 55 -2.960 -8.571 -7.557 454 HB3 ASP 55 1HB ASP 55 -3.169 -9.264 -5.950 455 H VAL 56 H VAL 56 -2.046 -8.484 -3.788 456 HA VAL 56 HA VAL 56 -4.150 -7.391 -2.202 457 HB VAL 56 HB VAL 56 -1.697 -9.007 -1.485 458 HG11 VAL 56 1HG1 VAL 56 -3.045 -9.400 0.667 459 HG12 VAL 56 2HG1 VAL 56 -3.985 -7.982 0.205 460 HG13 VAL 56 3HG1 VAL 56 -2.255 -7.830 0.510 461 HG21 VAL 56 3HG2 VAL 56 -4.614 -9.809 -1.476 462 HG22 VAL 56 1HG2 VAL 56 -3.199 -10.861 -1.416 463 HG23 VAL 56 2HG2 VAL 56 -3.593 -9.997 -2.901 464 H VAL 57 H VAL 57 -0.646 -6.861 -2.308 465 HA VAL 57 HA VAL 57 -0.454 -5.069 -0.177 466 HB VAL 57 HB VAL 57 1.131 -5.271 -2.748 467 HG11 VAL 57 1HG1 VAL 57 1.544 -3.529 -0.315 468 HG12 VAL 57 2HG1 VAL 57 1.537 -3.056 -2.015 469 HG13 VAL 57 3HG1 VAL 57 2.883 -3.993 -1.365 470 HG21 VAL 57 3HG2 VAL 57 1.049 -7.135 -0.873 471 HG22 VAL 57 1HG2 VAL 57 2.108 -6.029 0.001 472 HG23 VAL 57 2HG2 VAL 57 2.598 -6.662 -1.571 473 H LEU 58 H LEU 58 -0.981 -4.405 -3.639 474 HA LEU 58 HA LEU 58 -1.178 -1.607 -3.337 475 HB2 LEU 58 2HB LEU 58 -0.812 -2.666 -5.519 476 HB3 LEU 58 1HB LEU 58 -2.399 -3.425 -5.431 477 HG LEU 58 HG LEU 58 -3.481 -1.210 -5.408 478 HD11 LEU 58 1HD1 LEU 58 -1.827 0.745 -6.063 479 HD12 LEU 58 2HD1 LEU 58 -0.623 -0.274 -5.274 480 HD13 LEU 58 3HD1 LEU 58 -2.028 0.292 -4.373 481 HD21 LEU 58 3HD2 LEU 58 -1.452 -1.369 -7.659 482 HD22 LEU 58 1HD2 LEU 58 -3.045 -0.612 -7.712 483 HD23 LEU 58 2HD2 LEU 58 -2.907 -2.364 -7.571 484 H ASP 59 H ASP 59 -3.700 -4.072 -3.683 485 HA ASP 59 HA ASP 59 -5.946 -2.504 -3.388 486 HB2 ASP 59 2HB ASP 59 -5.406 -5.309 -2.409 487 HB3 ASP 59 1HB ASP 59 -6.998 -4.561 -2.303 488 H ALA 60 H ALA 60 -3.892 -3.862 -0.855 489 HA ALA 60 HA ALA 60 -5.355 -3.056 1.385 490 HB1 ALA 60 3HB ALA 60 -3.254 -4.540 1.277 491 HB2 ALA 60 1HB ALA 60 -3.372 -3.424 2.638 492 HB3 ALA 60 2HB ALA 60 -2.335 -3.034 1.266 493 H VAL 61 H VAL 61 -2.742 -1.365 -0.369 494 HA VAL 61 HA VAL 61 -2.777 0.972 1.205 495 HB VAL 61 HB VAL 61 -1.998 0.565 -1.690 496 HG11 VAL 61 1HG1 VAL 61 -1.646 2.928 0.172 497 HG12 VAL 61 2HG1 VAL 61 -2.418 2.913 -1.414 498 HG13 VAL 61 3HG1 VAL 61 -0.672 2.699 -1.279 499 HG21 VAL 61 3HG2 VAL 61 -0.686 -0.727 -0.045 500 HG22 VAL 61 1HG2 VAL 61 -0.377 0.748 0.871 501 HG23 VAL 61 2HG2 VAL 61 0.290 0.561 -0.751 502 H GLU 62 H GLU 62 -4.424 0.203 -1.864 503 HA GLU 62 HA GLU 62 -5.689 2.551 -2.433 504 HB2 GLU 62 2HB GLU 62 -6.821 -0.243 -2.590 505 HB3 GLU 62 1HB GLU 62 -7.556 1.168 -3.350 506 HG2 GLU 62 2HG GLU 62 -4.703 0.319 -3.844 507 HG3 GLU 62 1HG GLU 62 -6.047 -0.196 -4.854 508 H SER 63 H SER 63 -6.969 0.010 -0.281 509 HA SER 63 HA SER 63 -9.248 1.432 0.557 510 HB2 SER 63 2HB SER 63 -9.190 -0.876 1.019 511 HB3 SER 63 1HB SER 63 -7.620 -0.762 1.806 512 HG SER 63 HG SER 63 -8.558 0.227 3.532 513 H THR 64 H THR 64 -5.977 1.260 1.933 514 HA THR 64 HA THR 64 -6.675 3.134 4.052 515 HB THR 64 HB THR 64 -4.406 2.825 4.821 516 HG1 THR 64 HG1 THR 64 -3.612 0.993 3.030 517 HG21 THR 64 3HG2 THR 64 -5.736 0.282 3.859 518 HG22 THR 64 1HG2 THR 64 -5.954 1.069 5.422 519 HG23 THR 64 2HG2 THR 64 -4.408 0.320 5.020 520 H LEU 65 H LEU 65 -6.456 3.721 0.990 521 HA LEU 65 HA LEU 65 -4.486 5.875 0.983 522 HB2 LEU 65 2HB LEU 65 -4.614 5.755 -1.307 523 HB3 LEU 65 1HB LEU 65 -5.327 4.196 -0.962 524 HG LEU 65 HG LEU 65 -7.600 5.432 -0.902 525 HD11 LEU 65 1HD1 LEU 65 -6.972 7.442 -2.835 526 HD12 LEU 65 2HD1 LEU 65 -5.871 7.671 -1.480 527 HD13 LEU 65 3HD1 LEU 65 -7.605 7.655 -1.203 528 HD21 LEU 65 3HD2 LEU 65 -7.484 4.010 -2.727 529 HD22 LEU 65 1HD2 LEU 65 -5.979 4.707 -3.320 530 HD23 LEU 65 2HD2 LEU 65 -7.510 5.539 -3.587 531 H SER 66 H SER 66 -7.881 5.411 1.487 532 HA SER 66 HA SER 66 -9.090 7.720 0.733 533 HB2 SER 66 2HB SER 66 -9.975 7.236 3.432 534 HB3 SER 66 1HB SER 66 -10.783 6.810 1.928 535 HG SER 66 HG SER 66 -10.308 4.842 2.438 536 HA PRO 67 HA PRO 67 -7.465 9.930 4.814 537 HB2 PRO 67 2HB PRO 67 -4.811 8.534 4.870 538 HB3 PRO 67 1HB PRO 67 -5.813 9.101 6.221 539 HG2 PRO 67 2HG PRO 67 -5.678 6.522 5.628 540 HG3 PRO 67 1HG PRO 67 -7.215 7.257 6.122 541 HD2 PRO 67 2HD PRO 67 -6.308 6.472 3.396 542 HD3 PRO 67 1HD PRO 67 -7.922 6.364 4.095 543 H CYS 68 H CYS 68 -5.210 8.809 2.301 544 HA CYS 68 HA CYS 68 -3.712 11.220 2.136 545 HB2 CYS 68 2HB CYS 68 -4.089 8.989 0.119 546 HB3 CYS 68 1HB CYS 68 -2.898 10.283 -0.028 547 HG CYS 68 HG CYS 68 -2.138 7.928 1.311 548 H LYS 69 H LYS 69 -6.621 10.049 0.565 549 HA LYS 69 HA LYS 69 -6.799 11.939 -1.509 550 HB2 LYS 69 2HB LYS 69 -8.210 9.896 -1.319 551 HB3 LYS 69 1HB LYS 69 -9.093 10.668 -0.002 552 HG2 LYS 69 2HG LYS 69 -9.749 12.504 -1.497 553 HG3 LYS 69 1HG LYS 69 -8.835 11.768 -2.815 554 HD2 LYS 69 2HD LYS 69 -10.271 9.773 -2.715 555 HD3 LYS 69 1HD LYS 69 -11.178 10.483 -1.380 556 HE2 LYS 69 2HE LYS 69 -12.480 10.970 -3.303 557 HE3 LYS 69 1HE LYS 69 -11.615 12.469 -2.967 558 HZ1 LYS 69 3HZ LYS 69 -10.343 10.508 -4.726 559 HZ2 LYS 69 1HZ LYS 69 -10.258 12.201 -4.757 560 HZ3 LYS 69 2HZ LYS 69 -11.639 11.408 -5.350 561 H GLU 70 H GLU 70 -7.558 12.127 1.900 562 HA GLU 70 HA GLU 70 -9.101 14.533 1.749 563 HB2 GLU 70 2HB GLU 70 -7.658 13.190 4.043 564 HB3 GLU 70 1HB GLU 70 -8.678 14.617 4.225 565 HG2 GLU 70 2HG GLU 70 -10.596 13.395 3.319 566 HG3 GLU 70 1HG GLU 70 -9.586 11.976 3.047 567 H HIS 71 H HIS 71 -5.688 13.777 2.145 568 HA HIS 71 HA HIS 71 -5.030 16.625 2.511 569 HB2 HIS 71 2HB HIS 71 -3.333 14.121 2.660 570 HB3 HIS 71 1HB HIS 71 -2.718 15.760 2.881 571 HD1 HIS 71 HD1 HIS 71 -3.943 17.159 4.880 572 HD2 HIS 71 HD2 HIS 71 -4.407 13.017 4.966 573 HE1 HIS 71 HE1 HIS 71 -4.711 16.573 7.222 574 H ASP 72 H ASP 72 -4.651 17.808 0.767 575 HA ASP 72 HA ASP 72 -4.331 16.705 -1.838 576 HB2 ASP 72 2HB ASP 72 -3.866 19.058 -2.504 577 HB3 ASP 72 1HB ASP 72 -5.343 18.888 -1.557 578 H VAL 73 H VAL 73 -2.092 17.940 0.588 579 HA VAL 73 HA VAL 73 0.208 18.124 -1.024 580 HB VAL 73 HB VAL 73 -0.110 17.547 1.929 581 HG11 VAL 73 1HG1 VAL 73 2.062 16.735 1.366 582 HG12 VAL 73 2HG1 VAL 73 2.316 18.367 1.987 583 HG13 VAL 73 3HG1 VAL 73 2.351 18.070 0.249 584 HG21 VAL 73 3HG2 VAL 73 -0.925 19.752 1.046 585 HG22 VAL 73 1HG2 VAL 73 0.707 20.068 0.455 586 HG23 VAL 73 2HG2 VAL 73 0.413 19.906 2.187 587 H ILE 74 H ILE 74 -1.005 15.444 0.989 588 HA ILE 74 HA ILE 74 1.073 13.659 -0.030 589 HB ILE 74 HB ILE 74 -1.228 13.044 1.838 590 HG12 ILE 74 2HG1 ILE 74 1.655 13.744 2.486 591 HG13 ILE 74 1HG1 ILE 74 0.306 14.867 2.652 592 HG21 ILE 74 1HG2 ILE 74 1.416 11.645 1.300 593 HG22 ILE 74 2HG2 ILE 74 -0.161 11.087 0.747 594 HG23 ILE 74 3HG2 ILE 74 0.201 11.133 2.471 595 HD11 ILE 74 3HD1 ILE 74 0.773 12.291 4.162 596 HD12 ILE 74 1HD1 ILE 74 -0.797 13.095 4.136 597 HD13 ILE 74 2HD1 ILE 74 0.604 13.921 4.818 598 H GLY 75 H GLY 75 -2.378 14.232 -0.362 599 HA2 GLY 75 2HA GLY 75 -3.404 12.015 -1.517 600 HA3 GLY 75 1HA GLY 75 -3.789 13.625 -2.112 601 H THR 76 H THR 76 -0.837 13.941 -2.797 602 HA THR 76 HA THR 76 -0.952 13.412 -5.524 603 HB THR 76 HB THR 76 1.529 13.686 -5.470 604 HG1 THR 76 HG1 THR 76 1.182 12.828 -3.008 605 HG21 THR 76 3HG2 THR 76 -0.079 15.626 -5.415 606 HG22 THR 76 1HG2 THR 76 1.493 15.970 -4.694 607 HG23 THR 76 2HG2 THR 76 0.100 15.650 -3.659 608 H LYS 77 H LYS 77 -0.020 11.348 -2.870 609 HA LYS 77 HA LYS 77 1.390 9.368 -4.228 610 HB2 LYS 77 2HB LYS 77 0.806 7.909 -2.388 611 HB3 LYS 77 1HB LYS 77 1.178 9.516 -1.772 612 HG2 LYS 77 2HG LYS 77 -0.833 9.366 -0.675 613 HG3 LYS 77 1HG LYS 77 -1.552 9.722 -2.234 614 HD2 LYS 77 2HD LYS 77 -2.664 7.760 -1.478 615 HD3 LYS 77 1HD LYS 77 -1.503 7.198 -2.677 616 HE2 LYS 77 2HE LYS 77 -0.098 6.243 -1.068 617 HE3 LYS 77 1HE LYS 77 -0.689 7.284 0.223 618 HZ1 LYS 77 3HZ LYS 77 -1.774 4.809 -0.809 619 HZ2 LYS 77 1HZ LYS 77 -2.916 6.010 -0.459 620 HZ3 LYS 77 2HZ LYS 77 -1.858 5.468 0.755 621 H VAL 78 H VAL 78 -2.056 9.991 -4.002 622 HA VAL 78 HA VAL 78 -2.999 7.515 -4.974 623 HB VAL 78 HB VAL 78 -4.180 10.296 -5.206 624 HG11 VAL 78 1HG1 VAL 78 -5.268 8.979 -6.864 625 HG12 VAL 78 2HG1 VAL 78 -6.337 8.930 -5.463 626 HG13 VAL 78 3HG1 VAL 78 -5.294 7.555 -5.825 627 HG21 VAL 78 3HG2 VAL 78 -5.653 9.311 -3.345 628 HG22 VAL 78 1HG2 VAL 78 -3.991 9.705 -2.905 629 HG23 VAL 78 2HG2 VAL 78 -4.444 8.033 -3.224 630 H CYS 79 H CYS 79 -2.165 10.534 -6.652 631 HA CYS 79 HA CYS 79 -2.814 9.644 -9.254 632 HB2 CYS 79 2HB CYS 79 -0.859 11.749 -8.307 633 HB3 CYS 79 1HB CYS 79 -1.311 11.506 -9.993 634 HG CYS 79 HG CYS 79 -2.980 12.971 -7.950 635 H ALA 80 H ALA 80 0.150 9.479 -7.328 636 HA ALA 80 HA ALA 80 1.853 8.516 -9.371 637 HB1 ALA 80 3HB ALA 80 2.672 9.388 -7.209 638 HB2 ALA 80 1HB ALA 80 3.306 7.775 -7.542 639 HB3 ALA 80 2HB ALA 80 1.984 7.984 -6.390 640 H LEU 81 H LEU 81 -0.178 6.829 -6.998 641 HA LEU 81 HA LEU 81 0.600 4.204 -7.684 642 HB2 LEU 81 2HB LEU 81 -1.930 5.305 -6.459 643 HB3 LEU 81 1HB LEU 81 -1.625 3.578 -6.643 644 HG LEU 81 HG LEU 81 0.278 5.460 -5.219 645 HD11 LEU 81 1HD1 LEU 81 -0.683 4.699 -3.119 646 HD12 LEU 81 2HD1 LEU 81 -1.807 3.645 -3.975 647 HD13 LEU 81 3HD1 LEU 81 -1.960 5.396 -4.114 648 HD21 LEU 81 3HD2 LEU 81 0.103 2.470 -5.586 649 HD22 LEU 81 1HD2 LEU 81 0.848 3.117 -4.125 650 HD23 LEU 81 2HD2 LEU 81 1.512 3.523 -5.706 651 H LEU 82 H LEU 82 -1.970 6.308 -8.892 652 HA LEU 82 HA LEU 82 -3.207 4.410 -10.572 653 HB2 LEU 82 2HB LEU 82 -3.047 7.419 -10.690 654 HB3 LEU 82 1HB LEU 82 -4.024 6.470 -11.808 655 HG LEU 82 HG LEU 82 -4.261 6.297 -8.789 656 HD11 LEU 82 1HD1 LEU 82 -4.863 8.550 -9.564 657 HD12 LEU 82 2HD1 LEU 82 -6.296 7.671 -9.036 658 HD13 LEU 82 3HD1 LEU 82 -5.961 7.858 -10.758 659 HD21 LEU 82 3HD2 LEU 82 -6.640 5.429 -9.682 660 HD22 LEU 82 1HD2 LEU 82 -5.265 4.337 -9.535 661 HD23 LEU 82 2HD2 LEU 82 -5.687 5.017 -11.105 662 H ASP 83 H ASP 83 -0.565 6.701 -11.129 663 HA ASP 83 HA ASP 83 -0.272 6.235 -13.893 664 HB2 ASP 83 2HB ASP 83 0.772 8.103 -12.542 665 HB3 ASP 83 1HB ASP 83 1.955 6.925 -11.971 666 H ARG 84 H ARG 84 1.210 4.679 -11.070 667 HA ARG 84 HA ARG 84 2.879 2.904 -12.575 668 HB2 ARG 84 2HB ARG 84 1.845 2.682 -9.736 669 HB3 ARG 84 1HB ARG 84 3.173 1.751 -10.418 670 HG2 ARG 84 2HG ARG 84 3.237 4.763 -10.456 671 HG3 ARG 84 1HG ARG 84 3.750 3.868 -9.028 672 HD2 ARG 84 2HD ARG 84 5.365 2.601 -10.439 673 HD3 ARG 84 1HD ARG 84 4.904 3.585 -11.822 674 HE ARG 84 HE ARG 84 6.495 4.445 -9.529 675 HH11 ARG 84 1HH2 ARG 84 4.670 5.277 -12.354 676 HH12 ARG 84 2HH2 ARG 84 5.438 6.815 -12.561 677 HH21 ARG 84 1HH1 ARG 84 7.498 6.457 -9.794 678 HH22 ARG 84 2HH1 ARG 84 7.036 7.485 -11.111 679 H LEU 85 H LEU 85 -0.362 2.688 -11.232 680 HA LEU 85 HA LEU 85 -0.740 -0.066 -11.638 681 HB2 LEU 85 2HB LEU 85 -2.276 1.255 -10.273 682 HB3 LEU 85 1HB LEU 85 -2.766 2.186 -11.687 683 HG LEU 85 HG LEU 85 -3.686 0.162 -12.737 684 HD11 LEU 85 1HD1 LEU 85 -3.852 -1.887 -11.085 685 HD12 LEU 85 2HD1 LEU 85 -2.426 -1.162 -10.342 686 HD13 LEU 85 3HD1 LEU 85 -2.388 -1.651 -12.035 687 HD21 LEU 85 3HD2 LEU 85 -5.023 1.546 -11.069 688 HD22 LEU 85 1HD2 LEU 85 -4.668 0.298 -9.874 689 HD23 LEU 85 2HD2 LEU 85 -5.599 -0.101 -11.320 690 H ALA 86 H ALA 86 -1.339 2.721 -13.751 691 HA ALA 86 HA ALA 86 -2.092 0.922 -15.958 692 HB1 ALA 86 3HB ALA 86 -2.144 3.948 -15.797 693 HB2 ALA 86 1HB ALA 86 -3.523 2.889 -15.502 694 HB3 ALA 86 2HB ALA 86 -2.794 2.961 -17.108 695 H GLY 87 H GLY 87 0.595 2.547 -14.712 696 HA2 GLY 87 2HA GLY 87 2.002 2.442 -17.324 697 HA3 GLY 87 1HA GLY 87 2.345 3.638 -16.080 698 H ASP 88 H ASP 88 1.972 0.106 -16.169 699 HA ASP 88 HA ASP 88 3.305 -1.600 -15.416 700 HB2 ASP 88 2HB ASP 88 5.524 0.456 -15.554 701 HB3 ASP 88 1HB ASP 88 5.721 -1.288 -15.457 702 H TYR 89 H TYR 89 2.501 -1.957 -13.434 703 HA TYR 89 HA TYR 89 2.699 -0.332 -11.187 704 HB2 TYR 89 2HB TYR 89 2.517 -2.747 -9.998 705 HB3 TYR 89 1HB TYR 89 1.149 -1.980 -10.799 706 HD1 TYR 89 HD2 TYR 89 0.740 -2.491 -13.256 707 HD2 TYR 89 HD1 TYR 89 3.354 -4.850 -10.800 708 HE1 TYR 89 HE2 TYR 89 0.610 -4.344 -14.892 709 HE2 TYR 89 HE1 TYR 89 3.227 -6.698 -12.437 710 HH TYR 89 HH TYR 89 0.925 -6.971 -14.711 711 H VAL 90 H VAL 90 4.168 -3.385 -10.617 712 HA VAL 90 HA VAL 90 6.878 -2.328 -10.515 713 HB VAL 90 HB VAL 90 7.142 -2.999 -8.136 714 HG11 VAL 90 1HG1 VAL 90 6.202 -0.992 -7.246 715 HG12 VAL 90 2HG1 VAL 90 4.913 -0.978 -8.448 716 HG13 VAL 90 3HG1 VAL 90 6.572 -0.637 -8.934 717 HG21 VAL 90 3HG2 VAL 90 4.967 -3.191 -6.827 718 HG22 VAL 90 1HG2 VAL 90 5.342 -4.568 -7.859 719 HG23 VAL 90 2HG2 VAL 90 4.144 -3.383 -8.374 720 H TYR 91 H TYR 91 8.450 -4.032 -9.994 721 HA TYR 91 HA TYR 91 7.460 -6.722 -10.768 722 HB2 TYR 91 2HB TYR 91 10.200 -5.525 -11.248 723 HB3 TYR 91 1HB TYR 91 9.629 -7.104 -11.790 724 HD1 TYR 91 HD2 TYR 91 7.210 -6.947 -13.054 725 HD2 TYR 91 HD1 TYR 91 10.167 -3.835 -12.857 726 HE1 TYR 91 HE2 TYR 91 6.256 -5.909 -15.090 727 HE2 TYR 91 HE1 TYR 91 9.208 -2.797 -14.891 728 HH TYR 91 HH TYR 91 7.675 -2.945 -16.477 729 H LEU 92 H LEU 92 8.054 -8.428 -9.569 730 HA LEU 92 HA LEU 92 9.675 -7.884 -7.145 731 HB2 LEU 92 2HB LEU 92 7.253 -8.382 -6.779 732 HB3 LEU 92 1HB LEU 92 7.520 -9.970 -7.487 733 HG LEU 92 HG LEU 92 9.446 -9.245 -5.323 734 HD11 LEU 92 1HD1 LEU 92 7.356 -8.269 -4.441 735 HD12 LEU 92 2HD1 LEU 92 7.880 -9.670 -3.506 736 HD13 LEU 92 3HD1 LEU 92 6.550 -9.824 -4.655 737 HD21 LEU 92 3HD2 LEU 92 7.707 -11.687 -5.808 738 HD22 LEU 92 1HD2 LEU 92 9.038 -11.576 -4.657 739 HD23 LEU 92 2HD2 LEU 92 9.358 -11.490 -6.385 740 H PHE 93 H PHE 93 11.426 -9.079 -6.794 741 HA PHE 93 HA PHE 93 11.764 -11.642 -8.211 742 HB2 PHE 93 2HB PHE 93 13.798 -9.403 -8.231 743 HB3 PHE 93 1HB PHE 93 14.034 -11.021 -8.892 744 HD1 PHE 93 HD2 PHE 93 12.109 -11.823 -10.553 745 HD2 PHE 93 HD1 PHE 93 13.065 -7.724 -9.694 746 HE1 PHE 93 HE2 PHE 93 11.043 -11.128 -12.682 747 HE2 PHE 93 HE1 PHE 93 11.998 -7.031 -11.823 748 HZ PHE 93 HZ PHE 93 10.987 -8.733 -13.317 749 H ASP 94 H ASP 94 13.343 -13.026 -7.271 750 HA ASP 94 HA ASP 94 13.573 -12.676 -4.391 751 HB2 ASP 94 2HB ASP 94 14.385 -14.966 -4.382 752 HB3 ASP 94 1HB ASP 94 12.940 -14.864 -5.386 753 H GLU 95 H GLU 95 15.945 -14.076 -3.925 754 HA GLU 95 HA GLU 95 17.859 -11.963 -4.190 755 HB2 GLU 95 2HB GLU 95 18.087 -14.796 -3.152 756 HB3 GLU 95 1HB GLU 95 19.405 -13.625 -3.102 757 HG2 GLU 95 2HG GLU 95 18.032 -12.104 -1.752 758 HG3 GLU 95 1HG GLU 95 16.675 -13.227 -1.843 759 H GLY 96 H GLY 96 17.183 -12.475 -6.740 760 HA2 GLY 96 2HA GLY 96 19.651 -13.045 -7.988 761 HA3 GLY 96 1HA GLY 96 18.597 -14.450 -8.132 762 H GLY 97 H GLY 97 16.705 -14.306 -9.351 763 HA2 GLY 97 2HA GLY 97 15.932 -11.859 -10.673 764 HA3 GLY 97 1HA GLY 97 16.728 -13.004 -11.745 765 H ASP 98 H ASP 98 15.642 -15.324 -10.239 766 HA ASP 98 HA ASP 98 13.318 -15.775 -11.767 767 HB2 ASP 98 2HB ASP 98 14.571 -17.152 -9.399 768 HB3 ASP 98 1HB ASP 98 13.020 -17.700 -10.034 769 H GLU 99 H GLU 99 11.173 -15.592 -11.316 770 HA GLU 99 HA GLU 99 10.419 -13.781 -9.187 771 HB2 GLU 99 2HB GLU 99 8.832 -15.204 -11.333 772 HB3 GLU 99 1HB GLU 99 8.125 -14.095 -10.161 773 HG2 GLU 99 2HG GLU 99 9.593 -12.293 -10.932 774 HG3 GLU 99 1HG GLU 99 10.370 -13.396 -12.070 775 H VAL 100 H VAL 100 10.816 -14.943 -7.282 776 HA VAL 100 HA VAL 100 8.723 -16.886 -6.604 777 HB VAL 100 HB VAL 100 11.671 -17.445 -6.193 778 HG11 VAL 100 1HG1 VAL 100 10.715 -19.673 -5.410 779 HG12 VAL 100 2HG1 VAL 100 9.139 -18.885 -5.375 780 HG13 VAL 100 3HG1 VAL 100 10.436 -18.307 -4.329 781 HG21 VAL 100 3HG2 VAL 100 11.076 -19.436 -7.674 782 HG22 VAL 100 1HG2 VAL 100 11.110 -17.873 -8.490 783 HG23 VAL 100 2HG2 VAL 100 9.567 -18.602 -8.042 784 H ILE 101 H ILE 101 8.045 -16.723 -4.521 785 HA ILE 101 HA ILE 101 8.859 -14.441 -3.007 786 HB ILE 101 HB ILE 101 7.073 -16.782 -2.304 787 HG12 ILE 101 2HG1 ILE 101 5.304 -14.994 -2.636 788 HG13 ILE 101 1HG1 ILE 101 6.570 -13.963 -3.296 789 HG21 ILE 101 1HG2 ILE 101 7.736 -14.218 -0.839 790 HG22 ILE 101 2HG2 ILE 101 7.793 -15.871 -0.225 791 HG23 ILE 101 3HG2 ILE 101 6.240 -15.103 -0.546 792 HD11 ILE 101 3HD1 ILE 101 6.260 -16.715 -4.456 793 HD12 ILE 101 1HD1 ILE 101 6.772 -15.217 -5.234 794 HD13 ILE 101 2HD1 ILE 101 5.070 -15.492 -4.881 795 H ALA 102 H ALA 102 10.322 -14.278 -1.421 796 HA ALA 102 HA ALA 102 11.247 -16.695 -0.052 797 HB1 ALA 102 3HB ALA 102 13.565 -15.076 -0.761 798 HB2 ALA 102 1HB ALA 102 12.694 -15.584 -2.206 799 HB3 ALA 102 2HB ALA 102 13.276 -16.790 -1.062 800 HA PRO 103 HA PRO 103 11.760 -14.344 3.629 801 HB2 PRO 103 2HB PRO 103 14.745 -14.605 3.445 802 HB3 PRO 103 1HB PRO 103 13.666 -14.990 4.797 803 HG2 PRO 103 2HG PRO 103 14.711 -16.913 3.294 804 HG3 PRO 103 1HG PRO 103 13.045 -17.024 3.893 805 HD2 PRO 103 2HD PRO 103 14.010 -16.397 1.125 806 HD3 PRO 103 1HD PRO 103 12.546 -17.259 1.648 807 H ARG 104 H ARG 104 14.084 -13.499 1.083 808 HA ARG 104 HA ARG 104 13.671 -10.628 1.693 809 HB2 ARG 104 2HB ARG 104 16.281 -12.007 1.053 810 HB3 ARG 104 1HB ARG 104 16.059 -10.259 1.096 811 HG2 ARG 104 2HG ARG 104 15.405 -10.354 3.438 812 HG3 ARG 104 1HG ARG 104 15.480 -12.118 3.418 813 HD2 ARG 104 2HD ARG 104 17.522 -11.231 4.399 814 HD3 ARG 104 1HD ARG 104 17.892 -11.985 2.853 815 HE ARG 104 HE ARG 104 17.376 -9.212 2.486 816 HH11 ARG 104 1HH2 ARG 104 19.695 -11.439 3.774 817 HH12 ARG 104 2HH2 ARG 104 21.051 -10.396 3.502 818 HH21 ARG 104 1HH1 ARG 104 19.152 -7.841 2.130 819 HH22 ARG 104 2HH1 ARG 104 20.744 -8.361 2.572 820 H MET 105 H MET 105 12.411 -10.095 0.004 821 HA MET 105 HA MET 105 13.408 -10.684 -2.727 822 HB2 MET 105 2HB MET 105 10.989 -10.523 -3.420 823 HB3 MET 105 1HB MET 105 11.378 -11.929 -2.430 824 HG2 MET 105 2HG MET 105 9.384 -11.085 -1.478 825 HG3 MET 105 1HG MET 105 10.646 -10.465 -0.418 826 HE1 MET 105 3HE MET 105 7.406 -9.161 -1.237 827 HE2 MET 105 1HE MET 105 8.011 -7.716 -0.413 828 HE3 MET 105 2HE MET 105 8.442 -9.318 0.178 829 H TYR 106 H TYR 106 13.246 -9.036 -4.248 830 HA TYR 106 HA TYR 106 12.980 -6.327 -3.100 831 HB2 TYR 106 2HB TYR 106 15.118 -6.893 -4.212 832 HB3 TYR 106 1HB TYR 106 14.237 -7.230 -5.703 833 HD1 TYR 106 HD1 TYR 106 14.512 -4.539 -3.098 834 HD2 TYR 106 HD2 TYR 106 14.028 -5.492 -7.262 835 HE1 TYR 106 HE1 TYR 106 14.563 -2.125 -3.658 836 HE2 TYR 106 HE2 TYR 106 14.078 -3.074 -7.816 837 HH TYR 106 HH TYR 106 13.471 -0.744 -5.921 838 H CYS 107 H CYS 107 11.152 -5.281 -3.473 839 HA CYS 107 HA CYS 107 9.603 -5.877 -5.934 840 HB2 CYS 107 2HB CYS 107 8.634 -6.513 -3.607 841 HB3 CYS 107 1HB CYS 107 8.369 -4.781 -3.417 842 HG CYS 107 HG CYS 107 6.939 -4.880 -5.673 843 H SER 108 H SER 108 9.824 -4.273 -7.317 844 HA SER 108 HA SER 108 8.985 -1.634 -6.765 845 HB2 SER 108 2HB SER 108 11.059 -1.381 -5.523 846 HB3 SER 108 1HB SER 108 11.984 -2.017 -6.876 847 HG SER 108 HG SER 108 10.762 0.462 -6.526 848 H PHE 109 H PHE 109 9.531 -0.121 -8.613 849 HA PHE 109 HA PHE 109 8.911 -1.356 -11.072 850 HB2 PHE 109 2HB PHE 109 8.337 0.971 -10.622 851 HB3 PHE 109 1HB PHE 109 10.046 1.393 -10.521 852 HD1 PHE 109 HD1 PHE 109 7.714 -0.410 -12.855 853 HD2 PHE 109 HD2 PHE 109 11.031 2.292 -12.446 854 HE1 PHE 109 HE1 PHE 109 7.777 -0.111 -15.315 855 HE2 PHE 109 HE2 PHE 109 11.088 2.589 -14.907 856 HZ PHE 109 HZ PHE 109 9.462 1.387 -16.342 857 H SER 110 H SER 110 11.967 -0.054 -9.801 858 HA SER 110 HA SER 110 13.542 -0.490 -12.080 859 HB2 SER 110 2HB SER 110 15.447 -0.344 -10.589 860 HB3 SER 110 1HB SER 110 14.235 0.827 -10.076 861 HG SER 110 HG SER 110 13.501 -0.930 -8.630 862 H ALA 111 H ALA 111 14.868 -2.189 -12.719 863 HA ALA 111 HA ALA 111 13.924 -4.813 -11.894 864 HB1 ALA 111 3HB ALA 111 16.069 -4.916 -13.851 865 HB2 ALA 111 1HB ALA 111 14.882 -3.700 -14.315 866 HB3 ALA 111 2HB ALA 111 14.376 -5.368 -14.043 867 HA PRO 112 HA PRO 112 17.217 -6.292 -9.374 868 HB2 PRO 112 2HB PRO 112 18.173 -8.062 -11.605 869 HB3 PRO 112 1HB PRO 112 17.785 -8.482 -9.925 870 HG2 PRO 112 2HG PRO 112 16.124 -9.082 -11.921 871 HG3 PRO 112 1HG PRO 112 15.517 -8.576 -10.335 872 HD2 PRO 112 2HD PRO 112 15.588 -7.031 -12.898 873 HD3 PRO 112 1HD PRO 112 14.439 -6.938 -11.544 874 H ASP 113 H ASP 113 18.290 -5.868 -12.757 875 HA ASP 113 HA ASP 113 20.950 -5.033 -11.885 876 HB2 ASP 113 2HB ASP 113 21.392 -4.887 -14.350 877 HB3 ASP 113 1HB ASP 113 20.898 -6.486 -13.797 878 H ASP 114 H ASP 114 18.090 -3.704 -13.388 879 HA ASP 114 HA ASP 114 19.244 -1.098 -13.810 880 HB2 ASP 114 2HB ASP 114 17.389 -1.995 -15.210 881 HB3 ASP 114 1HB ASP 114 16.327 -1.899 -13.808 Start of MODEL 4 1 HA2 GLY 1 2HA GLY 1 1.851 -8.455 31.133 2 HA3 GLY 1 1HA GLY 1 2.849 -7.401 32.137 3 H LYS 2 H LYS 2 2.882 -9.749 29.735 4 HA LYS 2 HA LYS 2 5.317 -11.100 30.274 5 HB2 LYS 2 2HB LYS 2 3.663 -10.642 27.813 6 HB3 LYS 2 1HB LYS 2 5.267 -11.362 27.665 7 HG2 LYS 2 2HG LYS 2 4.574 -13.046 29.419 8 HG3 LYS 2 1HG LYS 2 2.938 -12.398 29.306 9 HD2 LYS 2 2HD LYS 2 2.775 -13.008 26.991 10 HD3 LYS 2 1HD LYS 2 4.486 -13.426 26.929 11 HE2 LYS 2 2HE LYS 2 3.376 -15.506 27.156 12 HE3 LYS 2 1HE LYS 2 3.975 -15.133 28.774 13 HZ1 LYS 2 3HZ LYS 2 1.630 -15.878 28.719 14 HZ2 LYS 2 1HZ LYS 2 1.236 -14.492 27.824 15 HZ3 LYS 2 2HZ LYS 2 1.833 -14.337 29.405 16 H LYS 3 H LYS 3 4.868 -8.842 27.576 17 HA LYS 3 HA LYS 3 6.205 -7.188 26.725 18 HB2 LYS 3 2HB LYS 3 6.067 -6.443 29.207 19 HB3 LYS 3 1HB LYS 3 7.701 -7.095 29.343 20 HG2 LYS 3 2HG LYS 3 8.492 -5.619 27.581 21 HG3 LYS 3 1HG LYS 3 6.853 -5.031 27.290 22 HD2 LYS 3 2HD LYS 3 8.081 -3.432 28.679 23 HD3 LYS 3 1HD LYS 3 6.771 -4.160 29.607 24 HE2 LYS 3 2HE LYS 3 9.471 -5.474 29.710 25 HE3 LYS 3 1HE LYS 3 9.217 -3.994 30.636 26 HZ1 LYS 3 3HZ LYS 3 6.981 -5.472 31.117 27 HZ2 LYS 3 1HZ LYS 3 8.301 -5.289 32.166 28 HZ3 LYS 3 2HZ LYS 3 8.226 -6.629 31.123 29 H VAL 4 H VAL 4 7.333 -10.131 27.836 30 HA VAL 4 HA VAL 4 10.111 -9.772 27.028 31 HB VAL 4 HB VAL 4 10.262 -12.218 27.570 32 HG11 VAL 4 1HG1 VAL 4 10.026 -11.894 29.982 33 HG12 VAL 4 2HG1 VAL 4 9.006 -10.481 29.712 34 HG13 VAL 4 3HG1 VAL 4 10.706 -10.443 29.246 35 HG21 VAL 4 3HG2 VAL 4 7.841 -12.675 27.033 36 HG22 VAL 4 1HG2 VAL 4 7.411 -11.837 28.526 37 HG23 VAL 4 2HG2 VAL 4 8.369 -13.318 28.590 38 H GLU 5 H GLU 5 10.582 -12.238 25.834 39 HA GLU 5 HA GLU 5 9.246 -11.896 23.207 40 HB2 GLU 5 2HB GLU 5 11.267 -12.908 22.253 41 HB3 GLU 5 1HB GLU 5 11.665 -11.474 23.197 42 HG2 GLU 5 2HG GLU 5 12.219 -12.935 25.135 43 HG3 GLU 5 1HG GLU 5 11.901 -14.349 24.132 44 H PHE 6 H PHE 6 8.632 -13.724 22.036 45 HA PHE 6 HA PHE 6 8.839 -16.367 23.199 46 HB2 PHE 6 2HB PHE 6 6.271 -14.801 23.203 47 HB3 PHE 6 1HB PHE 6 6.215 -16.549 22.986 48 HD1 PHE 6 HD2 PHE 6 7.834 -17.884 24.663 49 HD2 PHE 6 HD1 PHE 6 6.143 -14.006 25.400 50 HE1 PHE 6 HE2 PHE 6 8.131 -18.220 27.098 51 HE2 PHE 6 HE1 PHE 6 6.430 -14.350 27.834 52 HZ PHE 6 HZ PHE 6 7.428 -16.451 28.686 53 H ASN 7 H ASN 7 9.980 -16.587 21.182 54 HA ASN 7 HA ASN 7 8.168 -17.372 19.023 55 HB2 ASN 7 2HB ASN 7 8.718 -15.031 18.513 56 HB3 ASN 7 1HB ASN 7 10.436 -15.418 18.595 57 HD21 ASN 7 1HD2 ASN 7 7.446 -16.163 16.765 58 HD22 ASN 7 2HD2 ASN 7 8.253 -16.648 15.352 59 H ASP 8 H ASP 8 8.862 -19.478 19.644 60 HA ASP 8 HA ASP 8 11.599 -20.264 19.653 61 HB2 ASP 8 2HB ASP 8 9.023 -21.815 19.380 62 HB3 ASP 8 1HB ASP 8 10.606 -22.591 19.407 63 H LYS 9 H LYS 9 12.220 -22.175 18.088 64 HA LYS 9 HA LYS 9 11.868 -21.113 15.358 65 HB2 LYS 9 2HB LYS 9 13.928 -22.813 15.045 66 HB3 LYS 9 1HB LYS 9 14.154 -21.161 15.626 67 HG2 LYS 9 2HG LYS 9 13.545 -23.322 17.628 68 HG3 LYS 9 1HG LYS 9 15.176 -23.198 16.974 69 HD2 LYS 9 2HD LYS 9 13.911 -20.644 17.917 70 HD3 LYS 9 1HD LYS 9 14.407 -21.797 19.158 71 HE2 LYS 9 2HE LYS 9 16.150 -20.055 18.414 72 HE3 LYS 9 1HE LYS 9 16.667 -21.742 18.463 73 HZ1 LYS 9 3HZ LYS 9 15.839 -21.719 16.011 74 HZ2 LYS 9 1HZ LYS 9 17.377 -21.116 16.392 75 HZ3 LYS 9 2HZ LYS 9 16.084 -20.043 16.136 76 HA PRO 10 HA PRO 10 9.653 -24.714 14.105 77 HB2 PRO 10 2HB PRO 10 10.461 -24.956 11.492 78 HB3 PRO 10 1HB PRO 10 9.346 -23.693 12.054 79 HG2 PRO 10 2HG PRO 10 12.287 -23.518 11.545 80 HG3 PRO 10 1HG PRO 10 11.005 -22.369 11.128 81 HD2 PRO 10 2HD PRO 10 12.614 -22.015 13.287 82 HD3 PRO 10 1HD PRO 10 10.919 -21.481 13.272 83 H LYS 11 H LYS 11 12.185 -25.410 11.903 84 HA LYS 11 HA LYS 11 13.376 -27.368 11.585 85 HB2 LYS 11 2HB LYS 11 14.877 -26.033 13.000 86 HB3 LYS 11 1HB LYS 11 14.134 -26.722 14.442 87 HG2 LYS 11 2HG LYS 11 14.864 -28.958 13.810 88 HG3 LYS 11 1HG LYS 11 15.494 -28.352 12.278 89 HD2 LYS 11 2HD LYS 11 17.088 -26.918 13.518 90 HD3 LYS 11 1HD LYS 11 16.473 -27.569 15.036 91 HE2 LYS 11 2HE LYS 11 17.645 -29.286 12.836 92 HE3 LYS 11 1HE LYS 11 18.578 -28.692 14.209 93 HZ1 LYS 11 3HZ LYS 11 17.780 -30.876 14.698 94 HZ2 LYS 11 1HZ LYS 11 16.187 -30.449 14.305 95 HZ3 LYS 11 2HZ LYS 11 16.933 -29.776 15.675 96 H VAL 12 H VAL 12 13.040 -27.971 15.015 97 HA VAL 12 HA VAL 12 12.129 -30.642 14.586 98 HB VAL 12 HB VAL 12 12.041 -30.792 17.005 99 HG11 VAL 12 1HG1 VAL 12 14.365 -28.983 16.317 100 HG12 VAL 12 2HG1 VAL 12 14.269 -30.651 15.749 101 HG13 VAL 12 3HG1 VAL 12 14.328 -30.312 17.479 102 HG21 VAL 12 3HG2 VAL 12 12.196 -27.771 16.837 103 HG22 VAL 12 1HG2 VAL 12 12.566 -28.658 18.316 104 HG23 VAL 12 2HG2 VAL 12 10.949 -28.748 17.616 105 H ARG 13 H ARG 13 10.439 -28.268 13.661 106 HA ARG 13 HA ARG 13 7.894 -29.408 14.462 107 HB2 ARG 13 2HB ARG 13 8.370 -27.757 16.257 108 HB3 ARG 13 1HB ARG 13 8.487 -26.497 15.032 109 HG2 ARG 13 2HG ARG 13 6.183 -26.835 14.372 110 HG3 ARG 13 1HG ARG 13 6.039 -28.233 15.437 111 HD2 ARG 13 2HD ARG 13 5.036 -26.316 16.531 112 HD3 ARG 13 1HD ARG 13 6.522 -26.735 17.377 113 HE ARG 13 HE ARG 13 7.017 -24.781 15.354 114 HH11 ARG 13 1HH2 ARG 13 5.672 -25.275 18.504 115 HH12 ARG 13 2HH2 ARG 13 5.971 -23.654 19.037 116 HH21 ARG 13 1HH1 ARG 13 7.410 -22.653 16.046 117 HH22 ARG 13 2HH1 ARG 13 6.956 -22.171 17.646 118 H LYS 14 H LYS 14 6.133 -28.640 13.155 119 HA LYS 14 HA LYS 14 6.831 -28.243 10.438 120 HB2 LYS 14 2HB LYS 14 4.194 -27.936 11.885 121 HB3 LYS 14 1HB LYS 14 4.376 -27.860 10.131 122 HG2 LYS 14 2HG LYS 14 5.329 -30.130 10.121 123 HG3 LYS 14 1HG LYS 14 5.166 -30.209 11.876 124 HD2 LYS 14 2HD LYS 14 2.714 -29.893 11.643 125 HD3 LYS 14 1HD LYS 14 2.898 -29.895 9.888 126 HE2 LYS 14 2HE LYS 14 3.682 -32.172 11.730 127 HE3 LYS 14 1HE LYS 14 2.238 -32.129 10.719 128 HZ1 LYS 14 3HZ LYS 14 4.343 -31.512 9.053 129 HZ2 LYS 14 1HZ LYS 14 3.474 -32.969 9.101 130 HZ3 LYS 14 2HZ LYS 14 4.899 -32.802 10.009 131 H ILE 15 H ILE 15 6.869 -26.464 9.177 132 HA ILE 15 HA ILE 15 7.262 -23.970 10.481 133 HB ILE 15 HB ILE 15 7.183 -23.298 7.810 134 HG12 ILE 15 2HG1 ILE 15 6.546 -25.836 7.503 135 HG13 ILE 15 1HG1 ILE 15 7.735 -25.104 6.424 136 HG21 ILE 15 1HG2 ILE 15 9.137 -22.798 9.035 137 HG22 ILE 15 2HG2 ILE 15 9.692 -23.992 7.858 138 HG23 ILE 15 3HG2 ILE 15 9.367 -24.476 9.517 139 HD11 ILE 15 3HD1 ILE 15 9.535 -26.181 7.436 140 HD12 ILE 15 1HD1 ILE 15 8.287 -27.414 7.572 141 HD13 ILE 15 2HD1 ILE 15 8.695 -26.409 8.967 142 HA PRO 16 HA PRO 16 3.334 -22.004 10.335 143 HB2 PRO 16 2HB PRO 16 4.510 -19.840 8.626 144 HB3 PRO 16 1HB PRO 16 3.649 -19.708 10.173 145 HG2 PRO 16 2HG PRO 16 6.299 -19.412 10.022 146 HG3 PRO 16 1HG PRO 16 5.529 -20.196 11.412 147 HD2 PRO 16 2HD PRO 16 7.059 -21.426 9.159 148 HD3 PRO 16 1HD PRO 16 6.933 -21.918 10.860 149 H SER 17 H SER 17 1.513 -22.034 9.074 150 HA SER 17 HA SER 17 1.722 -23.148 6.419 151 HB2 SER 17 2HB SER 17 -0.788 -22.156 7.769 152 HB3 SER 17 1HB SER 17 -0.644 -23.373 6.504 153 HG SER 17 HG SER 17 0.589 -23.633 9.042 154 H THR 18 H THR 18 2.238 -20.136 7.444 155 HA THR 18 HA THR 18 1.704 -18.974 4.870 156 HB THR 18 HB THR 18 -0.511 -18.683 5.722 157 HG1 THR 18 HG1 THR 18 0.948 -16.302 6.192 158 HG21 THR 18 3HG2 THR 18 -0.112 -19.106 8.066 159 HG22 THR 18 1HG2 THR 18 -0.875 -17.524 7.904 160 HG23 THR 18 2HG2 THR 18 0.859 -17.639 8.205 161 H ARG 19 H ARG 19 2.701 -16.912 4.607 162 HA ARG 19 HA ARG 19 4.779 -16.360 6.650 163 HB2 ARG 19 2HB ARG 19 4.654 -15.649 3.709 164 HB3 ARG 19 1HB ARG 19 5.963 -15.209 4.808 165 HG2 ARG 19 2HG ARG 19 6.444 -17.563 5.242 166 HG3 ARG 19 1HG ARG 19 5.076 -18.054 4.242 167 HD2 ARG 19 2HD ARG 19 7.098 -18.249 2.917 168 HD3 ARG 19 1HD ARG 19 6.149 -16.902 2.298 169 HE ARG 19 HE ARG 19 8.026 -16.006 4.256 170 HH11 ARG 19 1HH2 ARG 19 7.697 -17.106 0.991 171 HH12 ARG 19 2HH2 ARG 19 9.083 -16.242 0.414 172 HH21 ARG 19 1HH1 ARG 19 9.845 -14.871 3.507 173 HH22 ARG 19 2HH1 ARG 19 10.297 -14.974 1.838 174 H LYS 20 H LYS 20 5.000 -14.359 7.520 175 HA LYS 20 HA LYS 20 2.823 -12.421 6.977 176 HB2 LYS 20 2HB LYS 20 4.616 -12.777 9.391 177 HB3 LYS 20 1HB LYS 20 3.422 -11.492 9.204 178 HG2 LYS 20 2HG LYS 20 1.640 -13.191 8.948 179 HG3 LYS 20 1HG LYS 20 2.837 -14.466 9.175 180 HD2 LYS 20 2HD LYS 20 3.347 -13.639 11.417 181 HD3 LYS 20 1HD LYS 20 2.229 -12.291 11.198 182 HE2 LYS 20 2HE LYS 20 1.095 -14.020 12.470 183 HE3 LYS 20 1HE LYS 20 0.383 -13.958 10.859 184 HZ1 LYS 20 3HZ LYS 20 2.448 -15.706 10.592 185 HZ2 LYS 20 1HZ LYS 20 0.815 -16.124 10.774 186 HZ3 LYS 20 2HZ LYS 20 1.831 -16.074 12.132 187 H ILE 21 H ILE 21 3.291 -10.248 6.683 188 HA ILE 21 HA ILE 21 6.128 -9.570 6.193 189 HB ILE 21 HB ILE 21 4.912 -9.937 4.049 190 HG12 ILE 21 2HG1 ILE 21 5.488 -7.736 3.047 191 HG13 ILE 21 1HG1 ILE 21 5.655 -7.057 4.662 192 HG21 ILE 21 1HG2 ILE 21 3.255 -7.549 4.883 193 HG22 ILE 21 2HG2 ILE 21 2.692 -9.215 4.986 194 HG23 ILE 21 3HG2 ILE 21 3.082 -8.515 3.418 195 HD11 ILE 21 3HD1 ILE 21 7.774 -7.993 3.349 196 HD12 ILE 21 1HD1 ILE 21 7.227 -9.531 4.017 197 HD13 ILE 21 2HD1 ILE 21 7.631 -8.190 5.092 198 H LYS 22 H LYS 22 6.817 -7.693 7.022 199 HA LYS 22 HA LYS 22 4.827 -5.731 7.990 200 HB2 LYS 22 2HB LYS 22 7.179 -6.677 9.641 201 HB3 LYS 22 1HB LYS 22 5.908 -5.561 10.129 202 HG2 LYS 22 2HG LYS 22 4.233 -7.349 9.898 203 HG3 LYS 22 1HG LYS 22 5.490 -8.473 9.391 204 HD2 LYS 22 2HD LYS 22 6.625 -8.203 11.553 205 HD3 LYS 22 1HD LYS 22 5.396 -7.047 12.065 206 HE2 LYS 22 2HE LYS 22 4.853 -9.234 12.991 207 HE3 LYS 22 1HE LYS 22 3.662 -8.826 11.756 208 HZ1 LYS 22 3HZ LYS 22 6.033 -10.580 11.402 209 HZ2 LYS 22 1HZ LYS 22 4.959 -10.140 10.166 210 HZ3 LYS 22 2HZ LYS 22 4.410 -11.081 11.468 211 H ILE 23 H ILE 23 8.158 -6.486 7.116 212 HA ILE 23 HA ILE 23 8.940 -3.673 7.106 213 HB ILE 23 HB ILE 23 11.088 -4.857 6.053 214 HG12 ILE 23 2HG1 ILE 23 9.550 -7.042 5.976 215 HG13 ILE 23 1HG1 ILE 23 11.263 -7.161 6.364 216 HG21 ILE 23 1HG2 ILE 23 11.751 -5.491 8.472 217 HG22 ILE 23 2HG2 ILE 23 10.153 -4.906 8.922 218 HG23 ILE 23 3HG2 ILE 23 11.307 -3.808 8.163 219 HD11 ILE 23 3HD1 ILE 23 9.560 -8.388 7.918 220 HD12 ILE 23 1HD1 ILE 23 9.248 -6.779 8.575 221 HD13 ILE 23 2HD1 ILE 23 10.864 -7.462 8.657 222 H THR 24 H THR 24 9.283 -2.425 5.350 223 HA THR 24 HA THR 24 9.136 -3.538 2.675 224 HB THR 24 HB THR 24 7.075 -1.499 3.531 225 HG1 THR 24 HG1 THR 24 5.796 -3.110 3.971 226 HG21 THR 24 3HG2 THR 24 6.081 -2.172 1.326 227 HG22 THR 24 1HG2 THR 24 7.531 -3.126 1.018 228 HG23 THR 24 2HG2 THR 24 7.647 -1.373 1.184 229 H PHE 25 H PHE 25 10.027 -2.191 1.139 230 HA PHE 25 HA PHE 25 11.915 -0.296 1.958 231 HB2 PHE 25 2HB PHE 25 12.076 -1.413 -0.199 232 HB3 PHE 25 1HB PHE 25 10.585 -0.642 -0.738 233 HD1 PHE 25 HD1 PHE 25 14.025 0.129 0.510 234 HD2 PHE 25 HD2 PHE 25 10.641 1.487 -1.758 235 HE1 PHE 25 HE1 PHE 25 15.318 2.109 -0.236 236 HE2 PHE 25 HE2 PHE 25 11.934 3.461 -2.511 237 HZ PHE 25 HZ PHE 25 14.272 3.773 -1.748 238 H ALA 26 H ALA 26 11.896 1.875 2.214 239 HA ALA 26 HA ALA 26 9.305 3.176 2.439 240 HB1 ALA 26 3HB ALA 26 10.727 5.116 3.244 241 HB2 ALA 26 1HB ALA 26 12.126 4.057 3.067 242 HB3 ALA 26 2HB ALA 26 10.846 3.643 4.206 243 H LEU 27 H LEU 27 8.378 4.104 0.737 244 HA LEU 27 HA LEU 27 9.664 4.635 -1.716 245 HB2 LEU 27 2HB LEU 27 7.137 5.935 -0.676 246 HB3 LEU 27 1HB LEU 27 7.606 5.716 -2.362 247 HG LEU 27 HG LEU 27 7.078 3.466 -0.398 248 HD11 LEU 27 1HD1 LEU 27 5.417 4.586 -2.677 249 HD12 LEU 27 2HD1 LEU 27 5.003 4.607 -0.961 250 HD13 LEU 27 3HD1 LEU 27 5.064 3.077 -1.835 251 HD21 LEU 27 3HD2 LEU 27 8.598 2.613 -1.993 252 HD22 LEU 27 1HD2 LEU 27 7.909 3.574 -3.301 253 HD23 LEU 27 2HD2 LEU 27 7.030 2.182 -2.670 254 H ASP 28 H ASP 28 8.826 6.750 1.003 255 HA ASP 28 HA ASP 28 10.963 8.566 0.290 256 HB2 ASP 28 2HB ASP 28 8.065 9.365 0.000 257 HB3 ASP 28 1HB ASP 28 9.349 10.548 0.251 258 H ALA 29 H ALA 29 9.809 6.856 2.535 259 HA ALA 29 HA ALA 29 9.966 6.957 4.831 260 HB1 ALA 29 3HB ALA 29 11.717 8.828 4.170 261 HB2 ALA 29 1HB ALA 29 11.167 8.676 5.836 262 HB3 ALA 29 2HB ALA 29 10.480 9.918 4.791 263 H THR 30 H THR 30 8.489 9.932 3.509 264 HA THR 30 HA THR 30 6.667 10.342 5.612 265 HB THR 30 HB THR 30 6.204 11.058 2.707 266 HG1 THR 30 HG1 THR 30 7.771 12.434 2.878 267 HG21 THR 30 3HG2 THR 30 5.006 12.959 3.675 268 HG22 THR 30 1HG2 THR 30 5.423 12.414 5.300 269 HG23 THR 30 2HG2 THR 30 4.344 11.446 4.297 270 H PHE 31 H PHE 31 6.123 8.827 2.419 271 HA PHE 31 HA PHE 31 3.491 7.939 3.079 272 HB2 PHE 31 2HB PHE 31 5.209 6.739 0.914 273 HB3 PHE 31 1HB PHE 31 3.455 6.939 0.951 274 HD1 PHE 31 HD2 PHE 31 2.899 9.631 1.619 275 HD2 PHE 31 HD1 PHE 31 6.192 8.126 -0.695 276 HE1 PHE 31 HE2 PHE 31 3.120 11.825 0.506 277 HE2 PHE 31 HE1 PHE 31 6.402 10.327 -1.812 278 HZ PHE 31 HZ PHE 31 4.870 12.174 -1.212 279 H ASP 32 H ASP 32 6.695 6.662 3.479 280 HA ASP 32 HA ASP 32 6.085 3.924 3.759 281 HB2 ASP 32 2HB ASP 32 8.383 4.979 3.582 282 HB3 ASP 32 1HB ASP 32 8.226 5.408 5.284 283 H SER 33 H SER 33 6.180 6.568 6.134 284 HA SER 33 HA SER 33 5.491 4.916 8.365 285 HB2 SER 33 2HB SER 33 5.052 7.073 9.508 286 HB3 SER 33 1HB SER 33 6.617 7.054 8.696 287 HG SER 33 HG SER 33 5.721 8.907 8.015 288 H VAL 34 H VAL 34 3.651 7.022 6.153 289 HA VAL 34 HA VAL 34 1.149 6.783 7.456 290 HB VAL 34 HB VAL 34 1.805 7.201 4.530 291 HG11 VAL 34 1HG1 VAL 34 -0.525 8.244 4.542 292 HG12 VAL 34 2HG1 VAL 34 -0.777 7.428 6.086 293 HG13 VAL 34 3HG1 VAL 34 -0.470 6.483 4.630 294 HG21 VAL 34 3HG2 VAL 34 1.621 9.536 5.009 295 HG22 VAL 34 1HG2 VAL 34 2.645 8.868 6.277 296 HG23 VAL 34 2HG2 VAL 34 0.953 9.224 6.612 297 H LEU 35 H LEU 35 2.536 4.907 4.764 298 HA LEU 35 HA LEU 35 0.350 3.125 4.523 299 HB2 LEU 35 2HB LEU 35 3.167 3.207 3.535 300 HB3 LEU 35 1HB LEU 35 2.372 1.636 3.507 301 HG LEU 35 HG LEU 35 0.469 2.710 2.263 302 HD11 LEU 35 1HD1 LEU 35 0.754 4.893 1.289 303 HD12 LEU 35 2HD1 LEU 35 2.393 5.022 1.926 304 HD13 LEU 35 3HD1 LEU 35 1.013 5.047 3.025 305 HD21 LEU 35 3HD2 LEU 35 1.708 2.842 0.121 306 HD22 LEU 35 1HD2 LEU 35 2.194 1.450 1.087 307 HD23 LEU 35 2HD2 LEU 35 3.227 2.880 1.018 308 H SER 36 H SER 36 3.337 2.999 6.392 309 HA SER 36 HA SER 36 3.165 0.370 7.302 310 HB2 SER 36 2HB SER 36 4.233 2.841 8.677 311 HB3 SER 36 1HB SER 36 4.481 1.201 9.267 312 HG SER 36 HG SER 36 5.521 0.727 7.304 313 H LYS 37 H LYS 37 1.716 3.340 8.595 314 HA LYS 37 HA LYS 37 0.510 2.119 10.867 315 HB2 LYS 37 2HB LYS 37 -0.132 4.656 9.356 316 HB3 LYS 37 1HB LYS 37 -0.937 4.179 10.850 317 HG2 LYS 37 2HG LYS 37 1.207 4.139 12.030 318 HG3 LYS 37 1HG LYS 37 2.056 4.544 10.538 319 HD2 LYS 37 2HD LYS 37 0.818 6.676 10.409 320 HD3 LYS 37 1HD LYS 37 -0.016 6.279 11.912 321 HE2 LYS 37 2HE LYS 37 2.126 6.221 13.110 322 HE3 LYS 37 1HE LYS 37 2.986 6.572 11.611 323 HZ1 LYS 37 3HZ LYS 37 0.963 8.331 12.887 324 HZ2 LYS 37 1HZ LYS 37 1.809 8.667 11.457 325 HZ3 LYS 37 2HZ LYS 37 2.643 8.567 12.931 326 H ALA 38 H ALA 38 -0.589 2.745 7.561 327 HA ALA 38 HA ALA 38 -3.253 1.747 8.054 328 HB1 ALA 38 3HB ALA 38 -2.931 3.426 6.338 329 HB2 ALA 38 1HB ALA 38 -3.482 1.933 5.576 330 HB3 ALA 38 2HB ALA 38 -1.781 2.391 5.490 331 H CYS 39 H CYS 39 -0.410 0.177 8.003 332 HA CYS 39 HA CYS 39 -1.555 -2.391 7.656 333 HB2 CYS 39 2HB CYS 39 -0.586 -3.103 5.587 334 HB3 CYS 39 1HB CYS 39 -1.459 -1.609 5.254 335 HG CYS 39 HG CYS 39 1.357 -1.944 4.605 336 H SER 40 H SER 40 -0.149 -1.507 9.732 337 HA SER 40 HA SER 40 2.650 -1.694 9.643 338 HB2 SER 40 2HB SER 40 2.498 -2.086 12.079 339 HB3 SER 40 1HB SER 40 1.464 -0.758 11.562 340 HG SER 40 HG SER 40 -0.272 -2.271 11.525 341 H GLU 41 H GLU 41 0.165 -4.164 10.034 342 HA GLU 41 HA GLU 41 2.227 -6.231 9.575 343 HB2 GLU 41 2HB GLU 41 0.096 -6.262 11.723 344 HB3 GLU 41 1HB GLU 41 1.024 -7.682 11.233 345 HG2 GLU 41 2HG GLU 41 3.116 -6.552 11.826 346 HG3 GLU 41 1HG GLU 41 2.225 -5.096 12.260 347 H PHE 42 H PHE 42 1.704 -7.499 7.929 348 HA PHE 42 HA PHE 42 -1.173 -7.888 7.295 349 HB2 PHE 42 2HB PHE 42 0.154 -6.245 5.772 350 HB3 PHE 42 1HB PHE 42 0.935 -7.694 5.147 351 HD1 PHE 42 HD2 PHE 42 -0.603 -9.630 4.363 352 HD2 PHE 42 HD1 PHE 42 -1.950 -5.595 4.958 353 HE1 PHE 42 HE2 PHE 42 -2.583 -10.084 2.941 354 HE2 PHE 42 HE1 PHE 42 -3.936 -6.054 3.545 355 HZ PHE 42 HZ PHE 42 -4.248 -8.294 2.528 356 H GLU 43 H GLU 43 -1.760 -9.942 7.015 357 HA GLU 43 HA GLU 43 0.303 -12.021 7.187 358 HB2 GLU 43 2HB GLU 43 -1.698 -12.131 8.652 359 HB3 GLU 43 1HB GLU 43 -2.715 -12.262 7.215 360 HG2 GLU 43 2HG GLU 43 -1.600 -14.333 6.564 361 HG3 GLU 43 1HG GLU 43 -0.478 -14.185 7.916 362 H VAL 44 H VAL 44 0.996 -13.119 5.465 363 HA VAL 44 HA VAL 44 -0.653 -13.102 2.986 364 HB VAL 44 HB VAL 44 2.369 -13.079 3.197 365 HG11 VAL 44 1HG1 VAL 44 0.417 -13.029 0.888 366 HG12 VAL 44 2HG1 VAL 44 1.648 -14.246 1.221 367 HG13 VAL 44 3HG1 VAL 44 2.125 -12.623 0.717 368 HG21 VAL 44 3HG2 VAL 44 2.187 -10.782 2.319 369 HG22 VAL 44 1HG2 VAL 44 1.337 -10.918 3.857 370 HG23 VAL 44 2HG2 VAL 44 0.427 -10.903 2.346 371 H ASP 45 H ASP 45 -1.232 -15.039 2.300 372 HA ASP 45 HA ASP 45 -0.798 -17.423 3.616 373 HB2 ASP 45 2HB ASP 45 -1.407 -16.861 0.706 374 HB3 ASP 45 1HB ASP 45 -1.347 -18.498 1.354 375 H LYS 46 H LYS 46 0.435 -19.329 2.954 376 HA LYS 46 HA LYS 46 3.192 -18.827 2.806 377 HB2 LYS 46 2HB LYS 46 3.351 -21.297 2.319 378 HB3 LYS 46 1HB LYS 46 2.408 -20.897 3.753 379 HG2 LYS 46 2HG LYS 46 0.328 -21.014 2.294 380 HG3 LYS 46 1HG LYS 46 1.350 -21.650 1.012 381 HD2 LYS 46 2HD LYS 46 2.048 -23.495 2.496 382 HD3 LYS 46 1HD LYS 46 0.948 -22.887 3.735 383 HE2 LYS 46 2HE LYS 46 0.138 -23.766 0.948 384 HE3 LYS 46 1HE LYS 46 -0.112 -24.694 2.427 385 HZ1 LYS 46 3HZ LYS 46 -1.560 -22.408 1.417 386 HZ2 LYS 46 1HZ LYS 46 -1.180 -22.315 3.067 387 HZ3 LYS 46 2HZ LYS 46 -2.067 -23.638 2.475 388 H ASP 47 H ASP 47 0.970 -20.025 0.280 389 HA ASP 47 HA ASP 47 3.051 -19.725 -1.746 390 HB2 ASP 47 2HB ASP 47 1.477 -21.713 -1.632 391 HB3 ASP 47 1HB ASP 47 0.192 -20.617 -2.138 392 H VAL 48 H VAL 48 3.277 -17.497 -1.862 393 HA VAL 48 HA VAL 48 1.199 -16.164 -3.440 394 HB VAL 48 HB VAL 48 2.316 -14.928 -0.909 395 HG11 VAL 48 1HG1 VAL 48 0.815 -13.092 -1.397 396 HG12 VAL 48 2HG1 VAL 48 0.116 -13.961 -2.756 397 HG13 VAL 48 3HG1 VAL 48 1.775 -13.373 -2.847 398 HG21 VAL 48 3HG2 VAL 48 -0.117 -15.077 -0.195 399 HG22 VAL 48 1HG2 VAL 48 0.711 -16.629 -0.304 400 HG23 VAL 48 2HG2 VAL 48 -0.387 -16.127 -1.587 401 H THR 49 H THR 49 2.106 -15.089 -5.078 402 HA THR 49 HA THR 49 5.012 -14.734 -5.107 403 HB THR 49 HB THR 49 4.752 -14.319 -7.460 404 HG1 THR 49 HG1 THR 49 2.761 -14.000 -8.370 405 HG21 THR 49 3HG2 THR 49 3.520 -16.372 -8.154 406 HG22 THR 49 1HG2 THR 49 2.886 -16.513 -6.515 407 HG23 THR 49 2HG2 THR 49 4.618 -16.666 -6.806 408 H LEU 50 H LEU 50 6.007 -12.734 -5.541 409 HA LEU 50 HA LEU 50 5.182 -10.544 -4.100 410 HB2 LEU 50 2HB LEU 50 6.644 -9.200 -5.723 411 HB3 LEU 50 1HB LEU 50 7.407 -10.511 -4.823 412 HG LEU 50 HG LEU 50 6.203 -11.399 -7.405 413 HD11 LEU 50 1HD1 LEU 50 6.960 -9.243 -8.185 414 HD12 LEU 50 2HD1 LEU 50 8.079 -10.476 -8.767 415 HD13 LEU 50 3HD1 LEU 50 8.522 -9.456 -7.397 416 HD21 LEU 50 3HD2 LEU 50 8.132 -12.772 -7.508 417 HD22 LEU 50 1HD2 LEU 50 7.779 -12.661 -5.783 418 HD23 LEU 50 2HD2 LEU 50 9.068 -11.686 -6.482 419 H ASP 51 H ASP 51 4.307 -11.447 -7.391 420 HA ASP 51 HA ASP 51 3.178 -9.013 -8.236 421 HB2 ASP 51 2HB ASP 51 2.558 -11.889 -8.926 422 HB3 ASP 51 1HB ASP 51 1.759 -10.533 -9.720 423 H GLU 52 H GLU 52 1.628 -11.835 -6.693 424 HA GLU 52 HA GLU 52 -0.939 -10.659 -6.478 425 HB2 GLU 52 2HB GLU 52 -0.539 -13.096 -6.293 426 HB3 GLU 52 1HB GLU 52 0.306 -12.828 -4.769 427 HG2 GLU 52 2HG GLU 52 -1.731 -11.885 -3.777 428 HG3 GLU 52 1HG GLU 52 -2.581 -12.067 -5.311 429 H LEU 53 H LEU 53 1.851 -10.831 -4.302 430 HA LEU 53 HA LEU 53 0.566 -9.680 -2.122 431 HB2 LEU 53 2HB LEU 53 2.750 -10.770 -1.885 432 HB3 LEU 53 1HB LEU 53 3.482 -9.560 -2.924 433 HG LEU 53 HG LEU 53 3.816 -9.261 -0.394 434 HD11 LEU 53 1HD1 LEU 53 4.200 -7.041 -0.738 435 HD12 LEU 53 2HD1 LEU 53 2.554 -6.727 -1.281 436 HD13 LEU 53 3HD1 LEU 53 3.739 -7.380 -2.412 437 HD21 LEU 53 3HD2 LEU 53 1.012 -8.119 -0.460 438 HD22 LEU 53 1HD2 LEU 53 2.031 -8.439 0.950 439 HD23 LEU 53 2HD2 LEU 53 1.320 -9.778 0.044 440 H LEU 54 H LEU 54 2.571 -8.180 -4.634 441 HA LEU 54 HA LEU 54 2.505 -5.549 -3.818 442 HB2 LEU 54 2HB LEU 54 3.825 -6.287 -5.739 443 HB3 LEU 54 1HB LEU 54 2.352 -6.625 -6.648 444 HG LEU 54 HG LEU 54 1.735 -4.231 -6.554 445 HD11 LEU 54 1HD1 LEU 54 2.620 -3.342 -4.590 446 HD12 LEU 54 2HD1 LEU 54 3.760 -2.711 -5.775 447 HD13 LEU 54 3HD1 LEU 54 4.186 -4.120 -4.805 448 HD21 LEU 54 3HD2 LEU 54 3.255 -5.205 -8.357 449 HD22 LEU 54 1HD2 LEU 54 4.601 -4.471 -7.484 450 HD23 LEU 54 2HD2 LEU 54 3.323 -3.456 -8.147 451 H ASP 55 H ASP 55 0.098 -7.368 -5.667 452 HA ASP 55 HA ASP 55 -1.658 -5.135 -6.043 453 HB2 ASP 55 2HB ASP 55 -2.047 -8.119 -6.258 454 HB3 ASP 55 1HB ASP 55 -3.335 -6.962 -6.586 455 H VAL 56 H VAL 56 -1.343 -7.656 -3.620 456 HA VAL 56 HA VAL 56 -3.812 -7.133 -2.286 457 HB VAL 56 HB VAL 56 -1.277 -8.522 -1.431 458 HG11 VAL 56 1HG1 VAL 56 -2.150 -7.753 0.631 459 HG12 VAL 56 2HG1 VAL 56 -2.792 -9.388 0.470 460 HG13 VAL 56 3HG1 VAL 56 -3.816 -7.998 0.112 461 HG21 VAL 56 3HG2 VAL 56 -2.969 -9.468 -3.186 462 HG22 VAL 56 1HG2 VAL 56 -4.024 -9.725 -1.795 463 HG23 VAL 56 2HG2 VAL 56 -2.453 -10.521 -1.870 464 H VAL 57 H VAL 57 -0.454 -6.238 -1.492 465 HA VAL 57 HA VAL 57 -1.062 -4.708 0.780 466 HB VAL 57 HB VAL 57 1.224 -5.485 0.190 467 HG11 VAL 57 1HG1 VAL 57 1.251 -3.210 -1.800 468 HG12 VAL 57 2HG1 VAL 57 0.910 -4.876 -2.260 469 HG13 VAL 57 3HG1 VAL 57 2.473 -4.458 -1.567 470 HG21 VAL 57 3HG2 VAL 57 2.371 -3.503 0.959 471 HG22 VAL 57 1HG2 VAL 57 0.793 -3.548 1.746 472 HG23 VAL 57 2HG2 VAL 57 1.065 -2.466 0.379 473 H LEU 58 H LEU 58 -0.744 -3.810 -2.655 474 HA LEU 58 HA LEU 58 -1.036 -1.042 -2.307 475 HB2 LEU 58 2HB LEU 58 -0.319 -2.033 -4.431 476 HB3 LEU 58 1HB LEU 58 -1.890 -2.808 -4.621 477 HG LEU 58 HG LEU 58 -2.987 -0.604 -4.735 478 HD11 LEU 58 1HD1 LEU 58 -1.754 0.879 -3.427 479 HD12 LEU 58 2HD1 LEU 58 -1.240 1.371 -5.037 480 HD13 LEU 58 3HD1 LEU 58 -0.207 0.332 -4.063 481 HD21 LEU 58 3HD2 LEU 58 -0.598 -0.762 -6.596 482 HD22 LEU 58 1HD2 LEU 58 -2.104 0.106 -6.895 483 HD23 LEU 58 2HD2 LEU 58 -2.105 -1.656 -6.808 484 H ASP 59 H ASP 59 -3.505 -3.464 -3.189 485 HA ASP 59 HA ASP 59 -5.733 -1.811 -3.161 486 HB2 ASP 59 2HB ASP 59 -5.810 -4.140 -3.926 487 HB3 ASP 59 1HB ASP 59 -5.556 -4.698 -2.275 488 H ALA 60 H ALA 60 -4.165 -3.508 -0.479 489 HA ALA 60 HA ALA 60 -6.011 -2.929 1.546 490 HB1 ALA 60 3HB ALA 60 -4.136 -3.271 3.107 491 HB2 ALA 60 1HB ALA 60 -2.998 -3.152 1.763 492 HB3 ALA 60 2HB ALA 60 -4.138 -4.494 1.836 493 H VAL 61 H VAL 61 -3.173 -1.079 0.452 494 HA VAL 61 HA VAL 61 -3.444 1.035 2.311 495 HB VAL 61 HB VAL 61 -2.166 0.932 -0.430 496 HG11 VAL 61 1HG1 VAL 61 -2.233 3.110 1.668 497 HG12 VAL 61 2HG1 VAL 61 -2.627 3.241 -0.046 498 HG13 VAL 61 3HG1 VAL 61 -0.954 3.010 0.458 499 HG21 VAL 61 3HG2 VAL 61 -1.189 -0.515 1.345 500 HG22 VAL 61 1HG2 VAL 61 -1.004 0.905 2.375 501 HG23 VAL 61 2HG2 VAL 61 -0.091 0.780 0.870 502 H GLU 62 H GLU 62 -4.659 0.607 -0.996 503 HA GLU 62 HA GLU 62 -5.818 3.164 -1.278 504 HB2 GLU 62 2HB GLU 62 -5.424 1.564 -3.150 505 HB3 GLU 62 1HB GLU 62 -6.745 0.571 -2.534 506 HG2 GLU 62 2HG GLU 62 -8.310 2.438 -2.816 507 HG3 GLU 62 1HG GLU 62 -6.998 3.473 -3.374 508 H SER 63 H SER 63 -7.135 0.092 -0.086 509 HA SER 63 HA SER 63 -9.788 0.970 0.301 510 HB2 SER 63 2HB SER 63 -9.439 -1.365 0.351 511 HB3 SER 63 1HB SER 63 -8.145 -1.233 1.538 512 HG SER 63 HG SER 63 -10.651 -1.683 2.022 513 H THR 64 H THR 64 -6.982 0.917 2.472 514 HA THR 64 HA THR 64 -8.372 1.928 4.744 515 HB THR 64 HB THR 64 -6.029 2.462 5.554 516 HG1 THR 64 HG1 THR 64 -4.536 1.191 4.013 517 HG21 THR 64 3HG2 THR 64 -6.606 -0.313 4.480 518 HG22 THR 64 1HG2 THR 64 -7.106 0.320 6.048 519 HG23 THR 64 2HG2 THR 64 -5.395 0.065 5.705 520 H LEU 65 H LEU 65 -5.888 3.549 2.753 521 HA LEU 65 HA LEU 65 -7.092 6.157 3.448 522 HB2 LEU 65 2HB LEU 65 -4.401 5.487 2.229 523 HB3 LEU 65 1HB LEU 65 -4.957 7.101 2.675 524 HG LEU 65 HG LEU 65 -4.800 4.802 4.635 525 HD11 LEU 65 1HD1 LEU 65 -2.552 5.382 3.694 526 HD12 LEU 65 2HD1 LEU 65 -2.686 5.741 5.416 527 HD13 LEU 65 3HD1 LEU 65 -2.795 7.043 4.233 528 HD21 LEU 65 3HD2 LEU 65 -4.657 6.892 6.223 529 HD22 LEU 65 1HD2 LEU 65 -6.226 6.421 5.574 530 HD23 LEU 65 2HD2 LEU 65 -5.345 7.767 4.852 531 H SER 66 H SER 66 -8.841 5.902 1.981 532 HA SER 66 HA SER 66 -8.379 5.614 -0.847 533 HB2 SER 66 2HB SER 66 -10.630 5.545 0.873 534 HB3 SER 66 1HB SER 66 -10.937 6.850 -0.266 535 HG SER 66 HG SER 66 -10.010 4.277 -1.015 536 HA PRO 67 HA PRO 67 -9.037 10.326 -0.842 537 HB2 PRO 67 2HB PRO 67 -9.147 11.679 1.535 538 HB3 PRO 67 1HB PRO 67 -10.564 10.910 0.798 539 HG2 PRO 67 2HG PRO 67 -8.960 10.045 3.131 540 HG3 PRO 67 1HG PRO 67 -10.662 9.726 2.750 541 HD2 PRO 67 2HD PRO 67 -8.470 7.952 2.371 542 HD3 PRO 67 1HD PRO 67 -10.131 7.715 1.794 543 H CYS 68 H CYS 68 -7.116 10.955 -1.649 544 HA CYS 68 HA CYS 68 -4.914 11.567 0.240 545 HB2 CYS 68 2HB CYS 68 -3.528 10.794 -2.010 546 HB3 CYS 68 1HB CYS 68 -3.863 9.727 -0.648 547 HG CYS 68 HG CYS 68 -5.709 8.584 -1.956 548 H LYS 69 H LYS 69 -6.831 12.403 -2.484 549 HA LYS 69 HA LYS 69 -5.106 14.328 -3.662 550 HB2 LYS 69 2HB LYS 69 -7.134 15.148 -4.784 551 HB3 LYS 69 1HB LYS 69 -7.026 13.389 -4.863 552 HG2 LYS 69 2HG LYS 69 -8.532 13.239 -2.885 553 HG3 LYS 69 1HG LYS 69 -8.700 14.994 -2.910 554 HD2 LYS 69 2HD LYS 69 -9.641 14.892 -5.175 555 HD3 LYS 69 1HD LYS 69 -9.436 13.138 -5.193 556 HE2 LYS 69 2HE LYS 69 -11.756 13.733 -4.617 557 HE3 LYS 69 1HE LYS 69 -10.959 12.946 -3.254 558 HZ1 LYS 69 3HZ LYS 69 -10.799 15.860 -3.442 559 HZ2 LYS 69 1HZ LYS 69 -10.869 14.866 -2.070 560 HZ3 LYS 69 2HZ LYS 69 -12.280 15.178 -2.964 561 H GLU 70 H GLU 70 -6.686 14.281 -0.702 562 HA GLU 70 HA GLU 70 -7.383 17.052 -0.484 563 HB2 GLU 70 2HB GLU 70 -6.968 14.891 1.590 564 HB3 GLU 70 1HB GLU 70 -7.519 16.523 1.972 565 HG2 GLU 70 2HG GLU 70 -9.463 16.238 0.509 566 HG3 GLU 70 1HG GLU 70 -8.899 14.633 0.043 567 H HIS 71 H HIS 71 -4.568 15.105 0.391 568 HA HIS 71 HA HIS 71 -3.171 17.538 1.335 569 HB2 HIS 71 2HB HIS 71 -2.516 14.598 1.657 570 HB3 HIS 71 1HB HIS 71 -1.507 15.923 2.238 571 HD1 HIS 71 HD1 HIS 71 -2.697 17.584 4.012 572 HD2 HIS 71 HD2 HIS 71 -4.602 13.930 3.379 573 HE1 HIS 71 HE1 HIS 71 -4.302 17.268 5.946 574 H ASP 72 H ASP 72 -1.763 18.498 0.039 575 HA ASP 72 HA ASP 72 -1.200 17.630 -2.575 576 HB2 ASP 72 2HB ASP 72 0.544 19.403 -2.548 577 HB3 ASP 72 1HB ASP 72 -1.008 19.974 -1.939 578 H VAL 73 H VAL 73 0.511 17.172 0.473 579 HA VAL 73 HA VAL 73 2.940 16.188 -0.574 580 HB VAL 73 HB VAL 73 1.533 15.590 2.041 581 HG11 VAL 73 1HG1 VAL 73 3.917 14.991 2.751 582 HG12 VAL 73 2HG1 VAL 73 4.303 14.921 1.031 583 HG13 VAL 73 3HG1 VAL 73 3.100 13.825 1.709 584 HG21 VAL 73 3HG2 VAL 73 3.628 17.592 1.168 585 HG22 VAL 73 1HG2 VAL 73 3.350 17.191 2.864 586 HG23 VAL 73 2HG2 VAL 73 2.059 17.916 1.906 587 H ILE 74 H ILE 74 -0.011 14.498 0.477 588 HA ILE 74 HA ILE 74 0.990 11.922 -0.435 589 HB ILE 74 HB ILE 74 -1.809 12.626 0.461 590 HG12 ILE 74 2HG1 ILE 74 0.512 11.585 2.121 591 HG13 ILE 74 1HG1 ILE 74 -0.040 13.260 2.141 592 HG21 ILE 74 1HG2 ILE 74 -1.613 10.478 -0.673 593 HG22 ILE 74 2HG2 ILE 74 -1.812 10.192 1.053 594 HG23 ILE 74 3HG2 ILE 74 -0.218 10.044 0.312 595 HD11 ILE 74 3HD1 ILE 74 -1.113 12.173 3.985 596 HD12 ILE 74 1HD1 ILE 74 -1.586 10.802 2.982 597 HD13 ILE 74 2HD1 ILE 74 -2.344 12.376 2.736 598 H GLY 75 H GLY 75 -0.877 14.558 -1.667 599 HA2 GLY 75 2HA GLY 75 -2.590 13.642 -3.521 600 HA3 GLY 75 1HA GLY 75 -1.465 14.939 -3.909 601 H THR 76 H THR 76 0.880 13.963 -4.327 602 HA THR 76 HA THR 76 1.012 12.792 -6.765 603 HB THR 76 HB THR 76 3.267 12.013 -6.193 604 HG1 THR 76 HG1 THR 76 2.180 12.184 -3.642 605 HG21 THR 76 3HG2 THR 76 2.691 14.480 -6.480 606 HG22 THR 76 1HG2 THR 76 4.180 14.138 -5.600 607 HG23 THR 76 2HG2 THR 76 2.721 14.594 -4.720 608 H LYS 77 H LYS 77 0.187 11.216 -3.803 609 HA LYS 77 HA LYS 77 0.725 8.534 -4.420 610 HB2 LYS 77 2HB LYS 77 0.005 9.348 -2.170 611 HB3 LYS 77 1HB LYS 77 -1.615 9.605 -2.818 612 HG2 LYS 77 2HG LYS 77 -1.808 7.247 -3.356 613 HG3 LYS 77 1HG LYS 77 -0.161 6.969 -2.801 614 HD2 LYS 77 2HD LYS 77 -0.802 7.707 -0.531 615 HD3 LYS 77 1HD LYS 77 -2.455 7.946 -1.090 616 HE2 LYS 77 2HE LYS 77 -0.990 5.297 -1.224 617 HE3 LYS 77 1HE LYS 77 -2.111 5.746 0.059 618 HZ1 LYS 77 3HZ LYS 77 -2.675 4.799 -2.555 619 HZ2 LYS 77 1HZ LYS 77 -3.420 6.301 -2.297 620 HZ3 LYS 77 2HZ LYS 77 -3.728 5.009 -1.238 621 H VAL 78 H VAL 78 -2.171 10.510 -5.038 622 HA VAL 78 HA VAL 78 -3.780 8.525 -6.170 623 HB VAL 78 HB VAL 78 -3.604 11.479 -6.780 624 HG11 VAL 78 1HG1 VAL 78 -6.004 11.092 -7.588 625 HG12 VAL 78 2HG1 VAL 78 -5.610 9.374 -7.614 626 HG13 VAL 78 3HG1 VAL 78 -4.727 10.495 -8.648 627 HG21 VAL 78 3HG2 VAL 78 -5.468 11.678 -5.248 628 HG22 VAL 78 1HG2 VAL 78 -4.189 10.774 -4.436 629 HG23 VAL 78 2HG2 VAL 78 -5.586 9.924 -5.096 630 H CYS 79 H CYS 79 -1.381 10.670 -7.699 631 HA CYS 79 HA CYS 79 -1.801 9.813 -10.357 632 HB2 CYS 79 2HB CYS 79 0.674 10.916 -9.003 633 HB3 CYS 79 1HB CYS 79 0.500 10.711 -10.748 634 HG CYS 79 HG CYS 79 -1.821 12.298 -10.113 635 H ALA 80 H ALA 80 0.502 8.714 -7.871 636 HA ALA 80 HA ALA 80 1.779 6.753 -9.458 637 HB1 ALA 80 3HB ALA 80 1.415 6.900 -6.455 638 HB2 ALA 80 1HB ALA 80 2.772 7.546 -7.378 639 HB3 ALA 80 2HB ALA 80 2.520 5.803 -7.285 640 H LEU 81 H LEU 81 -1.071 6.662 -7.374 641 HA LEU 81 HA LEU 81 -1.464 3.882 -7.421 642 HB2 LEU 81 2HB LEU 81 -2.657 5.260 -5.817 643 HB3 LEU 81 1HB LEU 81 -3.453 6.153 -7.113 644 HG LEU 81 HG LEU 81 -4.652 4.131 -7.819 645 HD11 LEU 81 1HD1 LEU 81 -4.411 2.111 -6.157 646 HD12 LEU 81 2HD1 LEU 81 -2.852 2.843 -5.774 647 HD13 LEU 81 3HD1 LEU 81 -3.202 2.329 -7.423 648 HD21 LEU 81 3HD2 LEU 81 -6.028 3.779 -5.800 649 HD22 LEU 81 1HD2 LEU 81 -5.662 5.488 -6.037 650 HD23 LEU 81 2HD2 LEU 81 -4.787 4.557 -4.817 651 H LEU 82 H LEU 82 -2.608 6.473 -9.548 652 HA LEU 82 HA LEU 82 -4.284 4.870 -11.127 653 HB2 LEU 82 2HB LEU 82 -3.877 7.513 -11.025 654 HB3 LEU 82 1HB LEU 82 -2.790 7.165 -12.368 655 HG LEU 82 HG LEU 82 -4.972 7.692 -13.281 656 HD11 LEU 82 1HD1 LEU 82 -4.818 4.683 -13.411 657 HD12 LEU 82 2HD1 LEU 82 -3.588 5.688 -14.179 658 HD13 LEU 82 3HD1 LEU 82 -5.274 5.815 -14.684 659 HD21 LEU 82 3HD2 LEU 82 -6.377 5.364 -12.041 660 HD22 LEU 82 1HD2 LEU 82 -6.979 6.980 -12.409 661 HD23 LEU 82 2HD2 LEU 82 -6.039 6.705 -10.947 662 H ASP 83 H ASP 83 -0.874 5.778 -11.504 663 HA ASP 83 HA ASP 83 -0.440 4.473 -13.962 664 HB2 ASP 83 2HB ASP 83 1.399 5.156 -11.672 665 HB3 ASP 83 1HB ASP 83 1.980 4.419 -13.162 666 H ARG 84 H ARG 84 -0.031 3.331 -10.623 667 HA ARG 84 HA ARG 84 0.920 0.747 -11.313 668 HB2 ARG 84 2HB ARG 84 -0.418 1.818 -8.826 669 HB3 ARG 84 1HB ARG 84 0.201 0.171 -8.958 670 HG2 ARG 84 2HG ARG 84 2.448 1.041 -9.463 671 HG3 ARG 84 1HG ARG 84 1.832 2.691 -9.375 672 HD2 ARG 84 2HD ARG 84 2.897 2.116 -7.255 673 HD3 ARG 84 1HD ARG 84 1.160 2.289 -7.014 674 HE ARG 84 HE ARG 84 1.780 -0.420 -7.586 675 HH11 ARG 84 1HH2 ARG 84 2.094 2.018 -5.151 676 HH12 ARG 84 2HH2 ARG 84 2.098 0.896 -3.832 677 HH21 ARG 84 1HH1 ARG 84 1.785 -1.899 -5.863 678 HH22 ARG 84 2HH1 ARG 84 1.924 -1.322 -4.234 679 H LEU 85 H LEU 85 -2.296 2.050 -10.713 680 HA LEU 85 HA LEU 85 -3.675 -0.411 -10.763 681 HB2 LEU 85 2HB LEU 85 -4.617 1.657 -9.836 682 HB3 LEU 85 1HB LEU 85 -4.680 2.353 -11.455 683 HG LEU 85 HG LEU 85 -5.973 -0.330 -11.256 684 HD11 LEU 85 1HD1 LEU 85 -6.675 0.448 -9.092 685 HD12 LEU 85 2HD1 LEU 85 -8.039 0.630 -10.195 686 HD13 LEU 85 3HD1 LEU 85 -7.082 2.038 -9.733 687 HD21 LEU 85 3HD2 LEU 85 -6.024 1.341 -13.205 688 HD22 LEU 85 1HD2 LEU 85 -7.128 2.299 -12.220 689 HD23 LEU 85 2HD2 LEU 85 -7.581 0.669 -12.717 690 H ALA 86 H ALA 86 -2.519 1.724 -13.265 691 HA ALA 86 HA ALA 86 -4.126 0.906 -15.408 692 HB1 ALA 86 3HB ALA 86 -2.327 1.738 -16.840 693 HB2 ALA 86 1HB ALA 86 -1.210 1.725 -15.475 694 HB3 ALA 86 2HB ALA 86 -2.579 2.837 -15.484 695 H GLY 87 H GLY 87 -1.568 -0.713 -13.735 696 HA2 GLY 87 2HA GLY 87 -2.066 -3.238 -14.712 697 HA3 GLY 87 1HA GLY 87 -0.863 -2.557 -15.803 698 H ASP 88 H ASP 88 0.990 -1.405 -14.558 699 HA ASP 88 HA ASP 88 1.707 -2.305 -11.964 700 HB2 ASP 88 2HB ASP 88 1.896 -4.482 -13.165 701 HB3 ASP 88 1HB ASP 88 3.097 -3.754 -14.229 702 H TYR 89 H TYR 89 4.213 -2.050 -11.679 703 HA TYR 89 HA TYR 89 5.649 -0.403 -13.460 704 HB2 TYR 89 2HB TYR 89 3.711 1.128 -12.460 705 HB3 TYR 89 1HB TYR 89 4.801 1.232 -11.080 706 HD1 TYR 89 HD2 TYR 89 7.385 1.626 -11.781 707 HD2 TYR 89 HD1 TYR 89 3.959 2.727 -14.138 708 HE1 TYR 89 HE2 TYR 89 8.746 3.294 -12.996 709 HE2 TYR 89 HE1 TYR 89 5.333 4.394 -15.348 710 HH TYR 89 HH TYR 89 8.072 4.541 -15.794 711 H VAL 90 H VAL 90 5.215 -0.278 -9.921 712 HA VAL 90 HA VAL 90 7.991 -0.324 -9.377 713 HB VAL 90 HB VAL 90 7.310 -0.700 -7.042 714 HG11 VAL 90 1HG1 VAL 90 5.575 1.259 -8.574 715 HG12 VAL 90 2HG1 VAL 90 7.188 1.573 -7.930 716 HG13 VAL 90 3HG1 VAL 90 5.836 1.297 -6.830 717 HG21 VAL 90 3HG2 VAL 90 4.787 -0.807 -6.639 718 HG22 VAL 90 1HG2 VAL 90 5.528 -2.280 -7.264 719 HG23 VAL 90 2HG2 VAL 90 4.627 -1.217 -8.347 720 H TYR 91 H TYR 91 9.388 -1.966 -9.107 721 HA TYR 91 HA TYR 91 8.309 -4.740 -9.195 722 HB2 TYR 91 2HB TYR 91 10.998 -3.767 -10.183 723 HB3 TYR 91 1HB TYR 91 10.335 -5.390 -10.344 724 HD1 TYR 91 HD2 TYR 91 8.079 -5.634 -11.597 725 HD2 TYR 91 HD1 TYR 91 10.583 -2.147 -11.842 726 HE1 TYR 91 HE2 TYR 91 6.944 -4.965 -13.698 727 HE2 TYR 91 HE1 TYR 91 9.442 -1.478 -13.940 728 HH TYR 91 HH TYR 91 8.110 -2.921 -15.846 729 H LEU 92 H LEU 92 9.190 -6.247 -7.828 730 HA LEU 92 HA LEU 92 10.941 -5.199 -5.685 731 HB2 LEU 92 2HB LEU 92 8.570 -5.740 -5.025 732 HB3 LEU 92 1HB LEU 92 8.910 -7.420 -5.441 733 HG LEU 92 HG LEU 92 10.681 -5.888 -3.520 734 HD11 LEU 92 1HD1 LEU 92 8.396 -5.753 -2.657 735 HD12 LEU 92 2HD1 LEU 92 9.384 -6.830 -1.668 736 HD13 LEU 92 3HD1 LEU 92 8.228 -7.502 -2.815 737 HD21 LEU 92 3HD2 LEU 92 10.753 -8.462 -2.678 738 HD22 LEU 92 1HD2 LEU 92 11.824 -7.850 -3.930 739 HD23 LEU 92 2HD2 LEU 92 10.382 -8.751 -4.375 740 H PHE 93 H PHE 93 12.850 -6.097 -5.487 741 HA PHE 93 HA PHE 93 13.250 -8.846 -6.546 742 HB2 PHE 93 2HB PHE 93 15.682 -7.199 -6.649 743 HB3 PHE 93 1HB PHE 93 14.926 -8.150 -7.930 744 HD1 PHE 93 HD1 PHE 93 14.527 -4.971 -6.017 745 HD2 PHE 93 HD2 PHE 93 13.848 -7.046 -9.704 746 HE1 PHE 93 HE1 PHE 93 13.681 -2.868 -7.040 747 HE2 PHE 93 HE2 PHE 93 13.023 -4.946 -10.733 748 HZ PHE 93 HZ PHE 93 12.948 -2.856 -9.399 749 H ASP 94 H ASP 94 14.819 -10.115 -5.485 750 HA ASP 94 HA ASP 94 14.952 -9.664 -2.657 751 HB2 ASP 94 2HB ASP 94 14.771 -11.921 -3.778 752 HB3 ASP 94 1HB ASP 94 16.454 -11.733 -4.269 753 H GLU 95 H GLU 95 17.256 -10.208 -1.654 754 HA GLU 95 HA GLU 95 18.881 -7.942 -2.139 755 HB2 GLU 95 2HB GLU 95 19.455 -10.485 -0.598 756 HB3 GLU 95 1HB GLU 95 20.456 -9.034 -0.552 757 HG2 GLU 95 2HG GLU 95 17.515 -9.104 0.183 758 HG3 GLU 95 1HG GLU 95 18.834 -9.169 1.352 759 H GLY 96 H GLY 96 19.102 -11.322 -3.136 760 HA2 GLY 96 2HA GLY 96 21.707 -11.010 -4.337 761 HA3 GLY 96 1HA GLY 96 20.652 -12.415 -4.467 762 H GLY 97 H GLY 97 18.696 -9.930 -5.206 763 HA2 GLY 97 2HA GLY 97 18.181 -8.746 -7.169 764 HA3 GLY 97 1HA GLY 97 19.525 -9.539 -7.985 765 H ASP 98 H ASP 98 17.939 -11.915 -6.353 766 HA ASP 98 HA ASP 98 16.632 -12.865 -8.788 767 HB2 ASP 98 2HB ASP 98 18.080 -14.317 -7.283 768 HB3 ASP 98 1HB ASP 98 16.763 -14.260 -6.115 769 H GLU 99 H GLU 99 14.624 -12.146 -9.165 770 HA GLU 99 HA GLU 99 12.875 -10.960 -7.387 771 HB2 GLU 99 2HB GLU 99 12.289 -12.614 -9.850 772 HB3 GLU 99 1HB GLU 99 11.073 -11.654 -9.005 773 HG2 GLU 99 2HG GLU 99 12.393 -9.620 -9.377 774 HG3 GLU 99 1HG GLU 99 13.653 -10.565 -10.171 775 H VAL 100 H VAL 100 12.962 -12.112 -5.407 776 HA VAL 100 HA VAL 100 10.997 -14.258 -5.252 777 HB VAL 100 HB VAL 100 13.881 -14.636 -4.395 778 HG11 VAL 100 1HG1 VAL 100 11.350 -16.176 -3.764 779 HG12 VAL 100 2HG1 VAL 100 12.565 -15.570 -2.639 780 HG13 VAL 100 3HG1 VAL 100 12.942 -16.935 -3.690 781 HG21 VAL 100 3HG2 VAL 100 13.551 -16.721 -5.851 782 HG22 VAL 100 1HG2 VAL 100 13.650 -15.182 -6.704 783 HG23 VAL 100 2HG2 VAL 100 12.080 -15.948 -6.446 784 H ILE 101 H ILE 101 9.800 -14.020 -3.488 785 HA ILE 101 HA ILE 101 10.126 -11.858 -1.713 786 HB ILE 101 HB ILE 101 8.512 -14.395 -1.366 787 HG12 ILE 101 2HG1 ILE 101 7.615 -11.646 -2.276 788 HG13 ILE 101 1HG1 ILE 101 8.067 -12.925 -3.404 789 HG21 ILE 101 1HG2 ILE 101 8.514 -11.735 0.088 790 HG22 ILE 101 2HG2 ILE 101 8.736 -13.343 0.781 791 HG23 ILE 101 3HG2 ILE 101 7.158 -12.863 0.157 792 HD11 ILE 101 3HD1 ILE 101 5.669 -13.017 -3.115 793 HD12 ILE 101 1HD1 ILE 101 5.832 -13.005 -1.359 794 HD13 ILE 101 2HD1 ILE 101 6.364 -14.408 -2.286 795 H ALA 102 H ALA 102 11.173 -11.628 0.182 796 HA ALA 102 HA ALA 102 12.010 -13.941 1.707 797 HB1 ALA 102 3HB ALA 102 14.400 -12.307 1.307 798 HB2 ALA 102 1HB ALA 102 13.777 -12.886 -0.239 799 HB3 ALA 102 2HB ALA 102 14.185 -14.037 1.031 800 HA PRO 103 HA PRO 103 11.908 -11.396 5.301 801 HB2 PRO 103 2HB PRO 103 14.890 -11.634 5.599 802 HB3 PRO 103 1HB PRO 103 13.611 -11.957 6.788 803 HG2 PRO 103 2HG PRO 103 14.877 -13.950 5.565 804 HG3 PRO 103 1HG PRO 103 13.141 -14.042 5.910 805 HD2 PRO 103 2HD PRO 103 14.523 -13.561 3.298 806 HD3 PRO 103 1HD PRO 103 12.996 -14.403 3.643 807 H ARG 104 H ARG 104 14.646 -10.662 3.153 808 HA ARG 104 HA ARG 104 14.099 -7.769 3.509 809 HB2 ARG 104 2HB ARG 104 16.789 -9.149 3.439 810 HB3 ARG 104 1HB ARG 104 16.568 -7.408 3.255 811 HG2 ARG 104 2HG ARG 104 15.525 -7.253 5.445 812 HG3 ARG 104 1HG ARG 104 15.577 -9.005 5.632 813 HD2 ARG 104 2HD ARG 104 17.429 -8.010 6.851 814 HD3 ARG 104 1HD ARG 104 18.054 -8.923 5.481 815 HE ARG 104 HE ARG 104 17.628 -6.170 4.808 816 HH11 ARG 104 1HH2 ARG 104 19.727 -8.382 6.445 817 HH12 ARG 104 2HH2 ARG 104 21.142 -7.404 6.242 818 HH21 ARG 104 1HH1 ARG 104 19.479 -4.880 4.541 819 HH22 ARG 104 2HH1 ARG 104 21.003 -5.423 5.165 820 H MET 105 H MET 105 13.851 -6.691 1.662 821 HA MET 105 HA MET 105 15.085 -7.612 -0.816 822 HB2 MET 105 2HB MET 105 12.634 -7.361 -1.849 823 HB3 MET 105 1HB MET 105 13.193 -8.900 -1.199 824 HG2 MET 105 2HG MET 105 10.901 -8.155 -0.393 825 HG3 MET 105 1HG MET 105 12.061 -8.538 0.877 826 HE1 MET 105 3HE MET 105 9.258 -6.090 1.006 827 HE2 MET 105 1HE MET 105 10.090 -5.911 2.558 828 HE3 MET 105 2HE MET 105 9.939 -7.503 1.813 829 H TYR 106 H TYR 106 14.329 -6.096 -2.653 830 HA TYR 106 HA TYR 106 14.136 -3.333 -1.596 831 HB2 TYR 106 2HB TYR 106 16.339 -3.709 -2.529 832 HB3 TYR 106 1HB TYR 106 15.642 -4.386 -3.999 833 HD1 TYR 106 HD1 TYR 106 15.152 -1.298 -1.893 834 HD2 TYR 106 HD2 TYR 106 15.648 -2.940 -5.833 835 HE1 TYR 106 HE1 TYR 106 14.974 0.965 -2.864 836 HE2 TYR 106 HE2 TYR 106 15.460 -0.667 -6.807 837 HH TYR 106 HH TYR 106 14.187 1.829 -5.390 838 H CYS 107 H CYS 107 12.133 -2.643 -1.929 839 HA CYS 107 HA CYS 107 10.772 -3.321 -4.470 840 HB2 CYS 107 2HB CYS 107 9.737 -3.871 -2.165 841 HB3 CYS 107 1HB CYS 107 9.407 -2.141 -2.073 842 HG CYS 107 HG CYS 107 8.231 -2.569 -4.553 843 H SER 108 H SER 108 10.884 -1.822 -5.973 844 HA SER 108 HA SER 108 10.038 0.854 -5.502 845 HB2 SER 108 2HB SER 108 12.401 0.834 -4.497 846 HB3 SER 108 1HB SER 108 12.976 0.668 -6.152 847 HG SER 108 HG SER 108 12.672 2.729 -6.335 848 H PHE 109 H PHE 109 10.724 2.272 -7.512 849 HA PHE 109 HA PHE 109 10.025 0.680 -9.867 850 HB2 PHE 109 2HB PHE 109 9.778 2.907 -10.949 851 HB3 PHE 109 1HB PHE 109 8.763 2.716 -9.519 852 HD1 PHE 109 HD2 PHE 109 9.525 3.697 -7.323 853 HD2 PHE 109 HD1 PHE 109 11.480 4.578 -11.045 854 HE1 PHE 109 HE2 PHE 109 10.596 5.680 -6.292 855 HE2 PHE 109 HE1 PHE 109 12.553 6.559 -10.013 856 HZ PHE 109 HZ PHE 109 12.112 7.110 -7.635 857 H SER 110 H SER 110 12.610 0.181 -8.881 858 HA SER 110 HA SER 110 14.228 1.144 -11.164 859 HB2 SER 110 2HB SER 110 15.071 1.122 -8.261 860 HB3 SER 110 1HB SER 110 16.181 1.331 -9.612 861 HG SER 110 HG SER 110 13.985 2.973 -8.875 862 H ALA 111 H ALA 111 14.784 -0.573 -12.273 863 HA ALA 111 HA ALA 111 14.604 -3.195 -11.338 864 HB1 ALA 111 3HB ALA 111 15.058 -1.971 -13.822 865 HB2 ALA 111 1HB ALA 111 14.911 -3.702 -13.539 866 HB3 ALA 111 2HB ALA 111 16.504 -2.943 -13.566 867 HA PRO 112 HA PRO 112 18.399 -4.286 -9.360 868 HB2 PRO 112 2HB PRO 112 19.183 -6.049 -11.658 869 HB3 PRO 112 1HB PRO 112 19.022 -6.450 -9.935 870 HG2 PRO 112 2HG PRO 112 17.191 -7.226 -11.703 871 HG3 PRO 112 1HG PRO 112 16.731 -6.700 -10.073 872 HD2 PRO 112 2HD PRO 112 16.482 -5.226 -12.672 873 HD3 PRO 112 1HD PRO 112 15.404 -5.235 -11.260 874 H ASP 113 H ASP 113 18.884 -3.855 -12.866 875 HA ASP 113 HA ASP 113 21.578 -2.770 -12.422 876 HB2 ASP 113 2HB ASP 113 20.050 -3.436 -14.946 877 HB3 ASP 113 1HB ASP 113 21.678 -2.761 -14.916 878 H ASP 114 H ASP 114 18.749 -1.480 -11.940 879 HA ASP 114 HA ASP 114 17.783 0.598 -12.159 880 HB2 ASP 114 2HB ASP 114 20.732 1.260 -12.259 881 HB3 ASP 114 1HB ASP 114 19.469 2.485 -12.157 Start of MODEL 5 1 HA2 GLY 1 2HA GLY 1 -11.878 -6.285 25.610 2 HA3 GLY 1 1HA GLY 1 -11.568 -4.829 26.557 3 H LYS 2 H LYS 2 -10.277 -7.749 25.432 4 HA LYS 2 HA LYS 2 -8.360 -8.248 27.479 5 HB2 LYS 2 2HB LYS 2 -9.196 -9.556 25.152 6 HB3 LYS 2 1HB LYS 2 -7.541 -9.096 24.782 7 HG2 LYS 2 2HG LYS 2 -7.305 -11.203 25.809 8 HG3 LYS 2 1HG LYS 2 -6.967 -10.071 27.119 9 HD2 LYS 2 2HD LYS 2 -9.215 -10.316 27.993 10 HD3 LYS 2 1HD LYS 2 -9.701 -11.279 26.599 11 HE2 LYS 2 2HE LYS 2 -7.422 -12.154 28.361 12 HE3 LYS 2 1HE LYS 2 -9.093 -12.527 28.780 13 HZ1 LYS 2 3HZ LYS 2 -8.717 -14.298 27.470 14 HZ2 LYS 2 1HZ LYS 2 -7.461 -13.551 26.610 15 HZ3 LYS 2 2HZ LYS 2 -9.076 -13.208 26.217 16 H LYS 3 H LYS 3 -6.271 -7.596 27.691 17 HA LYS 3 HA LYS 3 -5.373 -5.398 25.913 18 HB2 LYS 3 2HB LYS 3 -4.594 -5.880 28.791 19 HB3 LYS 3 1HB LYS 3 -4.221 -4.467 27.806 20 HG2 LYS 3 2HG LYS 3 -7.050 -5.331 28.483 21 HG3 LYS 3 1HG LYS 3 -6.147 -4.139 29.414 22 HD2 LYS 3 2HD LYS 3 -5.868 -2.793 27.311 23 HD3 LYS 3 1HD LYS 3 -6.922 -3.941 26.489 24 HE2 LYS 3 2HE LYS 3 -8.733 -3.447 28.051 25 HE3 LYS 3 1HE LYS 3 -7.689 -2.329 28.930 26 HZ1 LYS 3 3HZ LYS 3 -8.982 -2.016 26.343 27 HZ2 LYS 3 1HZ LYS 3 -7.416 -1.381 26.480 28 HZ3 LYS 3 2HZ LYS 3 -8.639 -0.854 27.536 29 H VAL 4 H VAL 4 -4.742 -8.560 26.959 30 HA VAL 4 HA VAL 4 -1.924 -8.371 26.050 31 HB VAL 4 HB VAL 4 -1.540 -10.422 27.377 32 HG11 VAL 4 1HG1 VAL 4 -2.860 -8.268 29.052 33 HG12 VAL 4 2HG1 VAL 4 -1.267 -8.081 28.321 34 HG13 VAL 4 3HG1 VAL 4 -1.541 -9.338 29.526 35 HG21 VAL 4 3HG2 VAL 4 -3.359 -11.036 29.025 36 HG22 VAL 4 1HG2 VAL 4 -3.754 -11.400 27.347 37 HG23 VAL 4 2HG2 VAL 4 -4.448 -9.979 28.127 38 H GLU 5 H GLU 5 -5.006 -9.594 25.354 39 HA GLU 5 HA GLU 5 -5.789 -11.202 23.882 40 HB2 GLU 5 2HB GLU 5 -3.404 -10.121 22.359 41 HB3 GLU 5 1HB GLU 5 -4.728 -11.050 21.653 42 HG2 GLU 5 2HG GLU 5 -5.319 -8.790 21.263 43 HG3 GLU 5 1HG GLU 5 -6.292 -9.271 22.649 44 H PHE 6 H PHE 6 -5.528 -13.189 24.818 45 HA PHE 6 HA PHE 6 -2.945 -14.518 24.826 46 HB2 PHE 6 2HB PHE 6 -5.712 -15.287 25.750 47 HB3 PHE 6 1HB PHE 6 -4.386 -16.450 25.732 48 HD1 PHE 6 HD2 PHE 6 -2.254 -15.890 26.999 49 HD2 PHE 6 HD1 PHE 6 -5.894 -13.672 27.480 50 HE1 PHE 6 HE2 PHE 6 -1.409 -14.972 29.141 51 HE2 PHE 6 HE1 PHE 6 -5.054 -12.748 29.621 52 HZ PHE 6 HZ PHE 6 -2.808 -13.399 30.454 53 H ASN 7 H ASN 7 -2.273 -16.109 23.489 54 HA ASN 7 HA ASN 7 -3.873 -16.591 21.071 55 HB2 ASN 7 2HB ASN 7 -1.477 -15.858 20.908 56 HB3 ASN 7 1HB ASN 7 -1.012 -17.395 21.635 57 HD21 ASN 7 1HD2 ASN 7 -0.210 -18.649 19.929 58 HD22 ASN 7 2HD2 ASN 7 -1.000 -18.871 18.444 59 H ASP 8 H ASP 8 -4.041 -17.878 23.921 60 HA ASP 8 HA ASP 8 -4.463 -19.957 24.815 61 HB2 ASP 8 2HB ASP 8 -5.407 -20.311 21.968 62 HB3 ASP 8 1HB ASP 8 -5.669 -21.513 23.232 63 H LYS 9 H LYS 9 -4.273 -22.513 23.967 64 HA LYS 9 HA LYS 9 -1.402 -22.754 23.302 65 HB2 LYS 9 2HB LYS 9 -1.771 -25.106 24.350 66 HB3 LYS 9 1HB LYS 9 -1.645 -23.705 25.411 67 HG2 LYS 9 2HG LYS 9 -4.061 -23.554 25.571 68 HG3 LYS 9 1HG LYS 9 -4.250 -24.876 24.416 69 HD2 LYS 9 2HD LYS 9 -2.982 -26.357 25.976 70 HD3 LYS 9 1HD LYS 9 -2.944 -25.038 27.147 71 HE2 LYS 9 2HE LYS 9 -5.351 -26.529 26.101 72 HE3 LYS 9 1HE LYS 9 -4.817 -26.356 27.773 73 HZ1 LYS 9 3HZ LYS 9 -5.255 -23.965 27.595 74 HZ2 LYS 9 1HZ LYS 9 -6.655 -24.888 27.344 75 HZ3 LYS 9 2HZ LYS 9 -5.848 -24.193 26.019 76 HA PRO 10 HA PRO 10 -3.111 -24.690 19.570 77 HB2 PRO 10 2HB PRO 10 -0.780 -24.882 18.166 78 HB3 PRO 10 1HB PRO 10 -1.642 -23.345 18.380 79 HG2 PRO 10 2HG PRO 10 0.775 -24.368 19.789 80 HG3 PRO 10 1HG PRO 10 0.392 -22.721 19.255 81 HD2 PRO 10 2HD PRO 10 0.100 -23.622 21.863 82 HD3 PRO 10 1HD PRO 10 -0.781 -22.239 21.178 83 H LYS 11 H LYS 11 -3.273 -26.521 21.390 84 HA LYS 11 HA LYS 11 -1.365 -28.701 20.799 85 HB2 LYS 11 2HB LYS 11 -1.841 -27.996 23.192 86 HB3 LYS 11 1HB LYS 11 -3.467 -28.642 22.968 87 HG2 LYS 11 2HG LYS 11 -2.566 -30.844 22.437 88 HG3 LYS 11 1HG LYS 11 -0.920 -30.222 22.525 89 HD2 LYS 11 2HD LYS 11 -1.280 -29.641 24.905 90 HD3 LYS 11 1HD LYS 11 -2.903 -30.325 24.812 91 HE2 LYS 11 2HE LYS 11 -0.368 -31.872 24.207 92 HE3 LYS 11 1HE LYS 11 -1.210 -31.919 25.756 93 HZ1 LYS 11 3HZ LYS 11 -3.094 -32.342 23.744 94 HZ2 LYS 11 1HZ LYS 11 -2.561 -33.439 24.921 95 HZ3 LYS 11 2HZ LYS 11 -1.774 -33.362 23.417 96 H VAL 12 H VAL 12 -2.713 -28.556 18.647 97 HA VAL 12 HA VAL 12 -4.340 -30.905 18.576 98 HB VAL 12 HB VAL 12 -6.015 -29.326 19.463 99 HG11 VAL 12 1HG1 VAL 12 -5.665 -27.816 16.863 100 HG12 VAL 12 2HG1 VAL 12 -4.901 -27.312 18.371 101 HG13 VAL 12 3HG1 VAL 12 -6.662 -27.364 18.245 102 HG21 VAL 12 3HG2 VAL 12 -6.566 -31.161 17.775 103 HG22 VAL 12 1HG2 VAL 12 -6.569 -29.901 16.540 104 HG23 VAL 12 2HG2 VAL 12 -7.731 -29.840 17.867 105 H ARG 13 H ARG 13 -2.962 -28.090 17.076 106 HA ARG 13 HA ARG 13 -2.663 -29.569 14.562 107 HB2 ARG 13 2HB ARG 13 -3.474 -27.709 13.215 108 HB3 ARG 13 1HB ARG 13 -4.745 -28.255 14.310 109 HG2 ARG 13 2HG ARG 13 -4.006 -26.449 15.920 110 HG3 ARG 13 1HG ARG 13 -2.959 -25.833 14.639 111 HD2 ARG 13 2HD ARG 13 -5.946 -26.233 14.362 112 HD3 ARG 13 1HD ARG 13 -5.182 -24.688 14.728 113 HE ARG 13 HE ARG 13 -5.216 -26.044 12.156 114 HH11 ARG 13 1HH2 ARG 13 -3.742 -23.680 14.208 115 HH12 ARG 13 2HH2 ARG 13 -3.060 -22.771 12.901 116 HH21 ARG 13 1HH1 ARG 13 -4.329 -24.855 10.437 117 HH22 ARG 13 2HH1 ARG 13 -3.392 -23.435 10.765 118 H LYS 14 H LYS 14 -0.963 -28.804 13.254 119 HA LYS 14 HA LYS 14 1.256 -27.744 14.686 120 HB2 LYS 14 2HB LYS 14 0.872 -28.037 11.700 121 HB3 LYS 14 1HB LYS 14 2.409 -27.813 12.532 122 HG2 LYS 14 2HG LYS 14 0.534 -30.140 13.027 123 HG3 LYS 14 1HG LYS 14 1.918 -30.208 11.938 124 HD2 LYS 14 2HD LYS 14 3.292 -29.394 14.006 125 HD3 LYS 14 1HD LYS 14 1.895 -29.920 14.943 126 HE2 LYS 14 2HE LYS 14 3.434 -31.662 13.002 127 HE3 LYS 14 1HE LYS 14 3.588 -31.712 14.760 128 HZ1 LYS 14 3HZ LYS 14 1.560 -32.830 13.081 129 HZ2 LYS 14 1HZ LYS 14 0.907 -31.883 14.327 130 HZ3 LYS 14 2HZ LYS 14 1.941 -33.178 14.700 131 H ILE 15 H ILE 15 2.083 -25.751 14.789 132 HA ILE 15 HA ILE 15 0.556 -23.508 14.599 133 HB ILE 15 HB ILE 15 2.981 -22.394 14.074 134 HG12 ILE 15 2HG1 ILE 15 3.706 -25.034 15.358 135 HG13 ILE 15 1HG1 ILE 15 3.801 -24.803 13.613 136 HG21 ILE 15 1HG2 ILE 15 2.135 -23.719 16.667 137 HG22 ILE 15 2HG2 ILE 15 1.720 -22.089 16.140 138 HG23 ILE 15 3HG2 ILE 15 3.394 -22.490 16.521 139 HD11 ILE 15 3HD1 ILE 15 5.337 -22.932 13.905 140 HD12 ILE 15 1HD1 ILE 15 5.969 -24.343 14.753 141 HD13 ILE 15 2HD1 ILE 15 5.186 -23.046 15.657 142 HA PRO 16 HA PRO 16 -0.297 -22.190 10.497 143 HB2 PRO 16 2HB PRO 16 1.462 -19.814 11.027 144 HB3 PRO 16 1HB PRO 16 -0.180 -19.867 10.360 145 HG2 PRO 16 2HG PRO 16 0.335 -19.176 12.920 146 HG3 PRO 16 1HG PRO 16 -1.158 -19.998 12.429 147 HD2 PRO 16 2HD PRO 16 1.110 -21.060 14.000 148 HD3 PRO 16 1HD PRO 16 -0.543 -21.689 13.845 149 H SER 17 H SER 17 0.594 -22.905 8.645 150 HA SER 17 HA SER 17 3.472 -23.366 8.488 151 HB2 SER 17 2HB SER 17 2.955 -24.648 6.497 152 HB3 SER 17 1HB SER 17 1.842 -25.112 7.784 153 HG SER 17 HG SER 17 1.378 -23.355 5.602 154 H THR 18 H THR 18 1.415 -20.850 7.785 155 HA THR 18 HA THR 18 2.682 -20.014 5.299 156 HB THR 18 HB THR 18 1.110 -18.252 5.270 157 HG1 THR 18 HG1 THR 18 1.444 -18.409 7.949 158 HG21 THR 18 3HG2 THR 18 0.121 -20.535 5.046 159 HG22 THR 18 1HG2 THR 18 -1.021 -19.350 5.682 160 HG23 THR 18 2HG2 THR 18 -0.252 -20.504 6.771 161 H ARG 19 H ARG 19 3.548 -17.742 5.187 162 HA ARG 19 HA ARG 19 5.304 -17.225 7.521 163 HB2 ARG 19 2HB ARG 19 6.455 -17.853 5.415 164 HB3 ARG 19 1HB ARG 19 5.712 -16.466 4.620 165 HG2 ARG 19 2HG ARG 19 6.818 -14.934 6.160 166 HG3 ARG 19 1HG ARG 19 7.481 -16.290 7.075 167 HD2 ARG 19 2HD ARG 19 9.193 -15.440 5.576 168 HD3 ARG 19 1HD ARG 19 8.686 -17.032 5.023 169 HE ARG 19 HE ARG 19 7.169 -14.977 3.747 170 HH11 ARG 19 1HH2 ARG 19 10.254 -16.541 3.833 171 HH12 ARG 19 2HH2 ARG 19 10.620 -16.215 2.172 172 HH21 ARG 19 1HH1 ARG 19 7.642 -14.543 1.568 173 HH22 ARG 19 2HH1 ARG 19 9.141 -15.083 0.889 174 H LYS 20 H LYS 20 5.672 -15.066 8.145 175 HA LYS 20 HA LYS 20 3.542 -13.172 7.319 176 HB2 LYS 20 2HB LYS 20 5.041 -13.445 9.935 177 HB3 LYS 20 1HB LYS 20 3.937 -12.121 9.556 178 HG2 LYS 20 2HG LYS 20 2.117 -13.747 9.183 179 HG3 LYS 20 1HG LYS 20 3.217 -15.066 9.589 180 HD2 LYS 20 2HD LYS 20 3.529 -14.153 11.839 181 HD3 LYS 20 1HD LYS 20 2.498 -12.776 11.442 182 HE2 LYS 20 2HE LYS 20 1.207 -14.456 12.678 183 HE3 LYS 20 1HE LYS 20 0.610 -14.336 11.023 184 HZ1 LYS 20 3HZ LYS 20 0.828 -16.618 11.490 185 HZ2 LYS 20 1HZ LYS 20 2.365 -16.424 12.176 186 HZ3 LYS 20 2HZ LYS 20 2.155 -16.227 10.502 187 H ILE 21 H ILE 21 4.087 -11.075 6.839 188 HA ILE 21 HA ILE 21 6.987 -10.496 6.591 189 HB ILE 21 HB ILE 21 5.740 -10.856 4.414 190 HG12 ILE 21 2HG1 ILE 21 6.662 -8.747 3.387 191 HG13 ILE 21 1HG1 ILE 21 6.955 -8.141 5.014 192 HG21 ILE 21 1HG2 ILE 21 4.493 -8.172 5.043 193 HG22 ILE 21 2HG2 ILE 21 3.645 -9.690 5.320 194 HG23 ILE 21 3HG2 ILE 21 4.135 -9.242 3.688 195 HD11 ILE 21 3HD1 ILE 21 8.843 -9.455 3.616 196 HD12 ILE 21 1HD1 ILE 21 8.065 -10.844 4.372 197 HD13 ILE 21 2HD1 ILE 21 8.738 -9.555 5.373 198 H LYS 22 H LYS 22 7.705 -8.500 7.200 199 HA LYS 22 HA LYS 22 5.727 -6.618 8.343 200 HB2 LYS 22 2HB LYS 22 6.946 -8.045 10.076 201 HB3 LYS 22 1HB LYS 22 8.412 -7.184 9.603 202 HG2 LYS 22 2HG LYS 22 7.368 -5.041 10.159 203 HG3 LYS 22 1HG LYS 22 5.859 -5.860 10.557 204 HD2 LYS 22 2HD LYS 22 7.021 -7.110 12.350 205 HD3 LYS 22 1HD LYS 22 8.513 -6.250 11.966 206 HE2 LYS 22 2HE LYS 22 7.430 -4.102 12.488 207 HE3 LYS 22 1HE LYS 22 5.923 -4.947 12.852 208 HZ1 LYS 22 3HZ LYS 22 7.191 -4.462 14.856 209 HZ2 LYS 22 1HZ LYS 22 8.508 -5.351 14.258 210 HZ3 LYS 22 2HZ LYS 22 7.043 -6.139 14.616 211 H ILE 23 H ILE 23 8.475 -7.169 6.387 212 HA ILE 23 HA ILE 23 9.194 -4.303 6.347 213 HB ILE 23 HB ILE 23 10.671 -6.641 5.126 214 HG12 ILE 23 2HG1 ILE 23 12.248 -5.834 7.204 215 HG13 ILE 23 1HG1 ILE 23 10.667 -5.490 7.898 216 HG21 ILE 23 1HG2 ILE 23 11.467 -3.764 5.669 217 HG22 ILE 23 2HG2 ILE 23 11.135 -4.461 4.084 218 HG23 ILE 23 3HG2 ILE 23 12.529 -5.010 5.015 219 HD11 ILE 23 3HD1 ILE 23 11.244 -7.743 8.508 220 HD12 ILE 23 1HD1 ILE 23 11.677 -8.142 6.845 221 HD13 ILE 23 2HD1 ILE 23 9.992 -7.851 7.273 222 H THR 24 H THR 24 8.564 -3.069 4.734 223 HA THR 24 HA THR 24 8.001 -4.274 2.106 224 HB THR 24 HB THR 24 6.147 -2.342 3.522 225 HG1 THR 24 HG1 THR 24 5.662 -4.221 4.414 226 HG21 THR 24 3HG2 THR 24 6.094 -1.985 1.148 227 HG22 THR 24 1HG2 THR 24 4.680 -2.959 1.548 228 HG23 THR 24 2HG2 THR 24 6.099 -3.720 0.830 229 H PHE 25 H PHE 25 8.634 -3.052 0.417 230 HA PHE 25 HA PHE 25 10.460 -0.948 0.790 231 HB2 PHE 25 2HB PHE 25 10.437 -2.297 -1.241 232 HB3 PHE 25 1HB PHE 25 8.833 -1.687 -1.652 233 HD1 PHE 25 HD1 PHE 25 12.346 -0.596 -0.995 234 HD2 PHE 25 HD2 PHE 25 8.586 0.341 -2.854 235 HE1 PHE 25 HE1 PHE 25 13.381 1.364 -2.102 236 HE2 PHE 25 HE2 PHE 25 9.625 2.301 -3.964 237 HZ PHE 25 HZ PHE 25 12.021 2.814 -3.587 238 H ALA 26 H ALA 26 10.216 1.187 1.050 239 HA ALA 26 HA ALA 26 7.484 2.315 0.956 240 HB1 ALA 26 3HB ALA 26 9.982 3.243 2.380 241 HB2 ALA 26 1HB ALA 26 8.555 2.516 3.117 242 HB3 ALA 26 2HB ALA 26 8.448 4.113 2.375 243 H LEU 27 H LEU 27 6.990 3.985 -0.339 244 HA LEU 27 HA LEU 27 8.612 4.564 -2.577 245 HB2 LEU 27 2HB LEU 27 6.098 5.757 -1.436 246 HB3 LEU 27 1HB LEU 27 6.894 6.516 -2.814 247 HG LEU 27 HG LEU 27 5.099 4.854 -3.437 248 HD11 LEU 27 1HD1 LEU 27 7.659 3.667 -4.462 249 HD12 LEU 27 2HD1 LEU 27 7.370 5.379 -4.774 250 HD13 LEU 27 3HD1 LEU 27 6.217 4.172 -5.344 251 HD21 LEU 27 3HD2 LEU 27 5.735 3.312 -1.492 252 HD22 LEU 27 1HD2 LEU 27 7.074 2.760 -2.502 253 HD23 LEU 27 2HD2 LEU 27 5.408 2.520 -3.031 254 H ASP 28 H ASP 28 7.992 6.298 0.434 255 HA ASP 28 HA ASP 28 10.517 7.681 0.205 256 HB2 ASP 28 2HB ASP 28 7.913 9.210 0.019 257 HB3 ASP 28 1HB ASP 28 9.466 9.952 0.391 258 H ALA 29 H ALA 29 10.551 9.422 2.092 259 HA ALA 29 HA ALA 29 10.371 8.002 4.501 260 HB1 ALA 29 3HB ALA 29 10.453 10.995 4.036 261 HB2 ALA 29 1HB ALA 29 11.848 9.930 4.229 262 HB3 ALA 29 2HB ALA 29 10.752 10.201 5.584 263 H THR 30 H THR 30 8.147 10.328 3.012 264 HA THR 30 HA THR 30 6.337 10.524 5.172 265 HB THR 30 HB THR 30 5.662 10.752 2.233 266 HG1 THR 30 HG1 THR 30 6.436 12.790 2.337 267 HG21 THR 30 3HG2 THR 30 4.524 12.148 4.668 268 HG22 THR 30 1HG2 THR 30 3.785 10.750 3.890 269 HG23 THR 30 2HG2 THR 30 3.937 12.271 3.010 270 H PHE 31 H PHE 31 6.252 8.486 2.238 271 HA PHE 31 HA PHE 31 3.926 7.056 3.048 272 HB2 PHE 31 2HB PHE 31 6.038 6.524 0.956 273 HB3 PHE 31 1HB PHE 31 4.665 5.452 1.221 274 HD1 PHE 31 HD2 PHE 31 2.303 6.578 1.242 275 HD2 PHE 31 HD1 PHE 31 5.801 8.372 -0.484 276 HE1 PHE 31 HE2 PHE 31 0.865 8.063 -0.127 277 HE2 PHE 31 HE1 PHE 31 4.363 9.860 -1.848 278 HZ PHE 31 HZ PHE 31 1.895 9.705 -1.672 279 H ASP 32 H ASP 32 7.291 6.805 3.773 280 HA ASP 32 HA ASP 32 7.389 4.048 4.449 281 HB2 ASP 32 2HB ASP 32 9.421 5.367 4.103 282 HB3 ASP 32 1HB ASP 32 9.020 6.372 5.492 283 H SER 33 H SER 33 6.983 6.960 6.476 284 HA SER 33 HA SER 33 6.492 5.494 8.871 285 HB2 SER 33 2HB SER 33 7.202 7.715 9.183 286 HB3 SER 33 1HB SER 33 6.021 8.350 8.041 287 HG SER 33 HG SER 33 4.667 7.046 9.870 288 H VAL 34 H VAL 34 4.352 7.039 6.490 289 HA VAL 34 HA VAL 34 1.925 6.495 7.834 290 HB VAL 34 HB VAL 34 2.512 6.886 4.893 291 HG11 VAL 34 1HG1 VAL 34 0.404 5.768 5.005 292 HG12 VAL 34 2HG1 VAL 34 0.031 7.486 4.847 293 HG13 VAL 34 3HG1 VAL 34 -0.090 6.697 6.421 294 HG21 VAL 34 3HG2 VAL 34 1.910 9.163 5.270 295 HG22 VAL 34 1HG2 VAL 34 3.005 8.744 6.587 296 HG23 VAL 34 2HG2 VAL 34 1.265 8.801 6.872 297 H LEU 35 H LEU 35 3.651 4.703 5.294 298 HA LEU 35 HA LEU 35 1.760 2.639 5.020 299 HB2 LEU 35 2HB LEU 35 3.536 3.049 3.365 300 HB3 LEU 35 1HB LEU 35 4.752 2.549 4.543 301 HG LEU 35 HG LEU 35 3.665 0.299 4.659 302 HD11 LEU 35 1HD1 LEU 35 1.799 1.632 2.714 303 HD12 LEU 35 2HD1 LEU 35 1.420 0.578 4.071 304 HD13 LEU 35 3HD1 LEU 35 2.078 -0.104 2.586 305 HD21 LEU 35 3HD2 LEU 35 5.548 0.757 3.099 306 HD22 LEU 35 1HD2 LEU 35 4.383 1.175 1.841 307 HD23 LEU 35 2HD2 LEU 35 4.449 -0.471 2.472 308 H SER 36 H SER 36 4.653 2.935 7.052 309 HA SER 36 HA SER 36 4.616 0.344 8.130 310 HB2 SER 36 2HB SER 36 6.524 1.887 8.364 311 HB3 SER 36 1HB SER 36 5.559 2.913 9.423 312 HG SER 36 HG SER 36 5.355 0.474 10.360 313 H LYS 37 H LYS 37 3.061 3.345 9.201 314 HA LYS 37 HA LYS 37 1.977 2.331 11.607 315 HB2 LYS 37 2HB LYS 37 2.135 4.749 11.041 316 HB3 LYS 37 1HB LYS 37 0.861 4.521 9.842 317 HG2 LYS 37 2HG LYS 37 -0.692 3.782 11.585 318 HG3 LYS 37 1HG LYS 37 0.579 3.912 12.799 319 HD2 LYS 37 2HD LYS 37 0.769 6.335 12.332 320 HD3 LYS 37 1HD LYS 37 -0.530 6.200 11.143 321 HE2 LYS 37 2HE LYS 37 -0.823 5.441 14.064 322 HE3 LYS 37 1HE LYS 37 -1.310 6.998 13.396 323 HZ1 LYS 37 3HZ LYS 37 -2.353 4.328 12.629 324 HZ2 LYS 37 1HZ LYS 37 -2.736 5.768 11.819 325 HZ3 LYS 37 2HZ LYS 37 -3.196 5.560 13.441 326 H ALA 38 H ALA 38 0.648 2.551 8.314 327 HA ALA 38 HA ALA 38 -1.874 1.390 9.031 328 HB1 ALA 38 3HB ALA 38 -2.199 1.233 6.563 329 HB2 ALA 38 1HB ALA 38 -0.540 1.795 6.347 330 HB3 ALA 38 2HB ALA 38 -1.738 2.848 7.103 331 H CYS 39 H CYS 39 0.318 0.100 6.557 332 HA CYS 39 HA CYS 39 -0.433 -2.618 7.306 333 HB2 CYS 39 2HB CYS 39 -0.388 -2.125 4.948 334 HB3 CYS 39 1HB CYS 39 1.261 -1.516 5.058 335 HG CYS 39 HG CYS 39 0.775 -4.484 5.835 336 H SER 40 H SER 40 0.737 -2.029 9.457 337 HA SER 40 HA SER 40 3.556 -1.973 9.577 338 HB2 SER 40 2HB SER 40 2.150 -1.349 11.486 339 HB3 SER 40 1HB SER 40 1.569 -3.006 11.617 340 HG SER 40 HG SER 40 3.870 -3.564 11.830 341 H GLU 41 H GLU 41 1.237 -4.645 9.622 342 HA GLU 41 HA GLU 41 3.315 -6.479 8.731 343 HB2 GLU 41 2HB GLU 41 3.530 -6.531 11.200 344 HB3 GLU 41 1HB GLU 41 1.832 -6.992 11.320 345 HG2 GLU 41 2HG GLU 41 2.260 -9.035 10.047 346 HG3 GLU 41 1HG GLU 41 3.942 -8.561 9.813 347 H PHE 42 H PHE 42 2.497 -8.340 7.752 348 HA PHE 42 HA PHE 42 -0.393 -8.795 7.767 349 HB2 PHE 42 2HB PHE 42 -0.052 -7.107 5.992 350 HB3 PHE 42 1HB PHE 42 1.101 -8.186 5.204 351 HD1 PHE 42 HD1 PHE 42 -2.425 -8.054 6.457 352 HD2 PHE 42 HD2 PHE 42 0.338 -9.806 3.672 353 HE1 PHE 42 HE1 PHE 42 -4.300 -9.226 5.333 354 HE2 PHE 42 HE2 PHE 42 -1.539 -10.977 2.549 355 HZ PHE 42 HZ PHE 42 -3.858 -10.686 3.379 356 H GLU 43 H GLU 43 -0.990 -10.857 7.024 357 HA GLU 43 HA GLU 43 1.083 -12.844 7.261 358 HB2 GLU 43 2HB GLU 43 -0.763 -14.452 6.979 359 HB3 GLU 43 1HB GLU 43 -1.150 -13.240 8.202 360 HG2 GLU 43 2HG GLU 43 -2.396 -11.945 6.471 361 HG3 GLU 43 1HG GLU 43 -2.081 -13.236 5.315 362 H VAL 44 H VAL 44 1.967 -14.078 5.675 363 HA VAL 44 HA VAL 44 1.110 -13.609 2.879 364 HB VAL 44 HB VAL 44 3.923 -13.718 3.989 365 HG11 VAL 44 1HG1 VAL 44 4.507 -13.368 1.509 366 HG12 VAL 44 2HG1 VAL 44 2.873 -13.933 1.164 367 HG13 VAL 44 3HG1 VAL 44 4.019 -14.994 1.984 368 HG21 VAL 44 3HG2 VAL 44 2.809 -11.530 4.125 369 HG22 VAL 44 1HG2 VAL 44 2.380 -11.630 2.417 370 HG23 VAL 44 2HG2 VAL 44 4.072 -11.495 2.895 371 H ASP 45 H ASP 45 0.829 -15.378 1.691 372 HA ASP 45 HA ASP 45 1.102 -17.983 2.931 373 HB2 ASP 45 2HB ASP 45 0.078 -17.079 0.235 374 HB3 ASP 45 1HB ASP 45 0.136 -18.766 0.737 375 H LYS 46 H LYS 46 2.030 -19.791 1.532 376 HA LYS 46 HA LYS 46 4.748 -19.031 0.754 377 HB2 LYS 46 2HB LYS 46 4.256 -20.986 2.286 378 HB3 LYS 46 1HB LYS 46 3.557 -21.807 0.889 379 HG2 LYS 46 2HG LYS 46 5.678 -21.619 -0.319 380 HG3 LYS 46 1HG LYS 46 6.384 -20.719 1.025 381 HD2 LYS 46 2HD LYS 46 6.066 -22.659 2.507 382 HD3 LYS 46 1HD LYS 46 5.347 -23.564 1.174 383 HE2 LYS 46 2HE LYS 46 7.700 -24.183 1.399 384 HE3 LYS 46 1HE LYS 46 7.467 -23.299 -0.108 385 HZ1 LYS 46 3HZ LYS 46 7.980 -21.461 1.943 386 HZ2 LYS 46 1HZ LYS 46 8.922 -21.800 0.574 387 HZ3 LYS 46 2HZ LYS 46 9.170 -22.669 2.011 388 H ASP 47 H ASP 47 5.666 -19.638 -1.251 389 HA ASP 47 HA ASP 47 5.716 -19.868 -3.533 390 HB2 ASP 47 2HB ASP 47 4.587 -22.069 -2.882 391 HB3 ASP 47 1HB ASP 47 3.063 -21.292 -3.310 392 H VAL 48 H VAL 48 4.682 -17.481 -2.499 393 HA VAL 48 HA VAL 48 2.298 -16.814 -4.057 394 HB VAL 48 HB VAL 48 4.021 -15.115 -2.232 395 HG11 VAL 48 1HG1 VAL 48 2.904 -13.600 -3.674 396 HG12 VAL 48 2HG1 VAL 48 1.839 -13.706 -2.276 397 HG13 VAL 48 3HG1 VAL 48 1.456 -14.602 -3.744 398 HG21 VAL 48 3HG2 VAL 48 2.685 -17.107 -1.266 399 HG22 VAL 48 1HG2 VAL 48 1.246 -16.184 -1.697 400 HG23 VAL 48 2HG2 VAL 48 2.403 -15.522 -0.545 401 H THR 49 H THR 49 2.373 -14.771 -5.340 402 HA THR 49 HA THR 49 4.926 -14.528 -6.840 403 HB THR 49 HB THR 49 2.130 -14.216 -7.941 404 HG1 THR 49 HG1 THR 49 3.007 -16.399 -7.250 405 HG21 THR 49 3HG2 THR 49 3.608 -12.958 -9.293 406 HG22 THR 49 1HG2 THR 49 3.490 -14.511 -10.118 407 HG23 THR 49 2HG2 THR 49 4.904 -14.144 -9.132 408 H LEU 50 H LEU 50 5.751 -12.553 -6.926 409 HA LEU 50 HA LEU 50 5.109 -10.381 -5.470 410 HB2 LEU 50 2HB LEU 50 6.136 -8.983 -7.326 411 HB3 LEU 50 1HB LEU 50 7.124 -10.311 -6.728 412 HG LEU 50 HG LEU 50 5.314 -11.020 -8.995 413 HD11 LEU 50 1HD1 LEU 50 7.006 -10.032 -10.638 414 HD12 LEU 50 2HD1 LEU 50 7.568 -9.027 -9.298 415 HD13 LEU 50 3HD1 LEU 50 5.904 -8.891 -9.869 416 HD21 LEU 50 3HD2 LEU 50 6.963 -12.622 -8.131 417 HD22 LEU 50 1HD2 LEU 50 8.264 -11.468 -8.412 418 HD23 LEU 50 2HD2 LEU 50 7.393 -12.168 -9.777 419 H ASP 51 H ASP 51 3.470 -11.447 -8.350 420 HA ASP 51 HA ASP 51 2.093 -9.097 -9.047 421 HB2 ASP 51 2HB ASP 51 2.142 -11.099 -10.483 422 HB3 ASP 51 1HB ASP 51 1.182 -11.979 -9.294 423 H GLU 52 H GLU 52 1.195 -11.762 -6.855 424 HA GLU 52 HA GLU 52 -1.320 -10.696 -6.101 425 HB2 GLU 52 2HB GLU 52 0.544 -12.609 -4.670 426 HB3 GLU 52 1HB GLU 52 -1.099 -12.249 -4.142 427 HG2 GLU 52 2HG GLU 52 -0.394 -13.319 -6.886 428 HG3 GLU 52 1HG GLU 52 -0.940 -14.323 -5.545 429 H LEU 53 H LEU 53 1.923 -10.416 -4.713 430 HA LEU 53 HA LEU 53 1.164 -8.980 -2.412 431 HB2 LEU 53 2HB LEU 53 3.377 -9.987 -2.601 432 HB3 LEU 53 1HB LEU 53 3.772 -8.931 -3.954 433 HG LEU 53 HG LEU 53 3.603 -6.957 -2.504 434 HD11 LEU 53 1HD1 LEU 53 1.963 -7.415 -0.896 435 HD12 LEU 53 2HD1 LEU 53 3.440 -7.540 0.059 436 HD13 LEU 53 3HD1 LEU 53 2.631 -9.001 -0.513 437 HD21 LEU 53 3HD2 LEU 53 5.281 -9.122 -1.194 438 HD22 LEU 53 1HD2 LEU 53 5.559 -7.383 -1.106 439 HD23 LEU 53 2HD2 LEU 53 5.751 -8.229 -2.641 440 H LEU 54 H LEU 54 2.061 -7.955 -5.658 441 HA LEU 54 HA LEU 54 2.122 -5.176 -5.150 442 HB2 LEU 54 2HB LEU 54 2.800 -6.644 -7.280 443 HB3 LEU 54 1HB LEU 54 1.193 -6.172 -7.817 444 HG LEU 54 HG LEU 54 2.768 -4.527 -8.630 445 HD11 LEU 54 1HD1 LEU 54 1.712 -2.560 -7.871 446 HD12 LEU 54 2HD1 LEU 54 1.509 -3.195 -6.237 447 HD13 LEU 54 3HD1 LEU 54 0.515 -3.816 -7.558 448 HD21 LEU 54 3HD2 LEU 54 4.559 -3.722 -7.452 449 HD22 LEU 54 1HD2 LEU 54 4.302 -5.124 -6.421 450 HD23 LEU 54 2HD2 LEU 54 3.644 -3.558 -5.955 451 H ASP 55 H ASP 55 -0.489 -7.300 -6.256 452 HA ASP 55 HA ASP 55 -2.399 -5.192 -6.482 453 HB2 ASP 55 2HB ASP 55 -2.531 -8.189 -6.473 454 HB3 ASP 55 1HB ASP 55 -4.016 -7.246 -6.387 455 H VAL 56 H VAL 56 -1.652 -7.581 -3.986 456 HA VAL 56 HA VAL 56 -3.797 -6.907 -2.257 457 HB VAL 56 HB VAL 56 -1.133 -8.245 -1.752 458 HG11 VAL 56 1HG1 VAL 56 -1.728 -7.358 0.369 459 HG12 VAL 56 2HG1 VAL 56 -2.346 -9.010 0.393 460 HG13 VAL 56 3HG1 VAL 56 -3.444 -7.661 0.105 461 HG21 VAL 56 3HG2 VAL 56 -2.358 -10.275 -1.858 462 HG22 VAL 56 1HG2 VAL 56 -2.991 -9.317 -3.197 463 HG23 VAL 56 2HG2 VAL 56 -3.907 -9.445 -1.696 464 H VAL 57 H VAL 57 -0.342 -5.998 -2.165 465 HA VAL 57 HA VAL 57 -0.479 -4.350 0.079 466 HB VAL 57 HB VAL 57 1.614 -5.130 -1.125 467 HG11 VAL 57 1HG1 VAL 57 2.394 -3.965 -3.036 468 HG12 VAL 57 2HG1 VAL 57 1.190 -2.687 -2.847 469 HG13 VAL 57 3HG1 VAL 57 0.699 -4.295 -3.362 470 HG21 VAL 57 3HG2 VAL 57 1.846 -3.524 0.644 471 HG22 VAL 57 1HG2 VAL 57 1.259 -2.217 -0.384 472 HG23 VAL 57 2HG2 VAL 57 2.833 -2.949 -0.698 473 H LEU 58 H LEU 58 -0.958 -3.584 -3.372 474 HA LEU 58 HA LEU 58 -1.286 -0.812 -3.062 475 HB2 LEU 58 2HB LEU 58 -0.996 -1.873 -5.251 476 HB3 LEU 58 1HB LEU 58 -2.550 -2.688 -5.077 477 HG LEU 58 HG LEU 58 -3.704 -0.512 -5.013 478 HD11 LEU 58 1HD1 LEU 58 -2.134 1.483 -5.779 479 HD12 LEU 58 2HD1 LEU 58 -0.875 0.508 -5.020 480 HD13 LEU 58 3HD1 LEU 58 -2.258 1.052 -4.075 481 HD21 LEU 58 3HD2 LEU 58 -3.495 -1.487 -7.189 482 HD22 LEU 58 1HD2 LEU 58 -1.812 -0.980 -7.331 483 HD23 LEU 58 2HD2 LEU 58 -3.104 0.223 -7.371 484 H ASP 59 H ASP 59 -3.742 -3.375 -3.226 485 HA ASP 59 HA ASP 59 -5.957 -1.719 -2.728 486 HB2 ASP 59 2HB ASP 59 -5.516 -4.666 -2.235 487 HB3 ASP 59 1HB ASP 59 -7.065 -3.869 -1.971 488 H ALA 60 H ALA 60 -3.638 -3.235 -0.598 489 HA ALA 60 HA ALA 60 -5.040 -3.017 1.833 490 HB1 ALA 60 3HB ALA 60 -2.936 -3.380 2.898 491 HB2 ALA 60 1HB ALA 60 -2.048 -2.738 1.516 492 HB3 ALA 60 2HB ALA 60 -2.881 -4.287 1.387 493 H VAL 61 H VAL 61 -2.562 -0.843 0.442 494 HA VAL 61 HA VAL 61 -2.889 1.162 2.439 495 HB VAL 61 HB VAL 61 -1.597 2.599 0.855 496 HG11 VAL 61 1HG1 VAL 61 -0.566 -0.225 1.260 497 HG12 VAL 61 2HG1 VAL 61 -0.448 1.096 2.422 498 HG13 VAL 61 3HG1 VAL 61 0.432 1.182 0.895 499 HG21 VAL 61 3HG2 VAL 61 -0.744 1.494 -1.212 500 HG22 VAL 61 1HG2 VAL 61 -2.492 1.725 -1.255 501 HG23 VAL 61 2HG2 VAL 61 -1.821 0.138 -0.897 502 H GLU 62 H GLU 62 -4.275 0.667 -0.767 503 HA GLU 62 HA GLU 62 -5.565 3.187 -0.963 504 HB2 GLU 62 2HB GLU 62 -5.148 1.678 -2.893 505 HB3 GLU 62 1HB GLU 62 -6.360 0.567 -2.253 506 HG2 GLU 62 2HG GLU 62 -8.080 2.299 -2.419 507 HG3 GLU 62 1HG GLU 62 -6.881 3.464 -2.980 508 H SER 63 H SER 63 -6.673 0.006 0.161 509 HA SER 63 HA SER 63 -9.345 0.721 0.678 510 HB2 SER 63 2HB SER 63 -9.365 -1.276 2.138 511 HB3 SER 63 1HB SER 63 -8.617 -1.613 0.579 512 HG SER 63 HG SER 63 -6.601 -0.946 1.827 513 H THR 64 H THR 64 -6.452 0.728 2.760 514 HA THR 64 HA THR 64 -7.741 1.525 5.132 515 HB THR 64 HB THR 64 -5.441 2.392 5.757 516 HG1 THR 64 HG1 THR 64 -5.134 1.815 3.052 517 HG21 THR 64 3HG2 THR 64 -5.959 0.151 6.358 518 HG22 THR 64 1HG2 THR 64 -4.403 0.059 5.533 519 HG23 THR 64 2HG2 THR 64 -5.880 -0.397 4.683 520 H LEU 65 H LEU 65 -6.104 3.463 2.628 521 HA LEU 65 HA LEU 65 -7.266 5.918 3.791 522 HB2 LEU 65 2HB LEU 65 -4.939 5.362 1.963 523 HB3 LEU 65 1HB LEU 65 -5.668 6.967 2.003 524 HG LEU 65 HG LEU 65 -5.307 7.067 4.446 525 HD11 LEU 65 1HD1 LEU 65 -4.222 4.291 3.970 526 HD12 LEU 65 2HD1 LEU 65 -5.379 4.832 5.185 527 HD13 LEU 65 3HD1 LEU 65 -3.677 5.252 5.344 528 HD21 LEU 65 3HD2 LEU 65 -3.567 7.933 2.924 529 HD22 LEU 65 1HD2 LEU 65 -2.817 6.336 2.865 530 HD23 LEU 65 2HD2 LEU 65 -2.840 7.248 4.377 531 H SER 66 H SER 66 -9.220 6.339 3.019 532 HA SER 66 HA SER 66 -10.080 5.532 0.393 533 HB2 SER 66 2HB SER 66 -11.321 6.381 2.811 534 HB3 SER 66 1HB SER 66 -11.845 7.490 1.551 535 HG SER 66 HG SER 66 -13.100 5.517 1.774 536 HA PRO 67 HA PRO 67 -9.725 10.192 -0.490 537 HB2 PRO 67 2HB PRO 67 -8.567 11.850 1.337 538 HB3 PRO 67 1HB PRO 67 -10.278 11.395 1.414 539 HG2 PRO 67 2HG PRO 67 -7.991 10.441 3.049 540 HG3 PRO 67 1HG PRO 67 -9.697 10.631 3.490 541 HD2 PRO 67 2HD PRO 67 -8.431 8.208 2.799 542 HD3 PRO 67 1HD PRO 67 -10.186 8.460 2.903 543 H CYS 68 H CYS 68 -8.189 10.921 -1.885 544 HA CYS 68 HA CYS 68 -5.347 10.415 -1.246 545 HB2 CYS 68 2HB CYS 68 -6.600 9.966 -3.963 546 HB3 CYS 68 1HB CYS 68 -4.940 9.611 -3.478 547 HG CYS 68 HG CYS 68 -6.768 8.096 -1.659 548 H LYS 69 H LYS 69 -6.953 11.731 -4.124 549 HA LYS 69 HA LYS 69 -5.156 13.912 -4.326 550 HB2 LYS 69 2HB LYS 69 -6.444 12.920 -6.219 551 HB3 LYS 69 1HB LYS 69 -7.905 13.658 -5.565 552 HG2 LYS 69 2HG LYS 69 -6.944 15.885 -5.833 553 HG3 LYS 69 1HG LYS 69 -5.410 15.195 -6.351 554 HD2 LYS 69 2HD LYS 69 -6.547 14.196 -8.311 555 HD3 LYS 69 1HD LYS 69 -8.063 14.932 -7.788 556 HE2 LYS 69 2HE LYS 69 -7.054 17.169 -7.965 557 HE3 LYS 69 1HE LYS 69 -5.525 16.449 -8.464 558 HZ1 LYS 69 3HZ LYS 69 -7.706 15.494 -10.028 559 HZ2 LYS 69 1HZ LYS 69 -6.258 16.222 -10.530 560 HZ3 LYS 69 2HZ LYS 69 -7.589 17.188 -10.103 561 H GLU 70 H GLU 70 -7.606 13.385 -2.151 562 HA GLU 70 HA GLU 70 -8.704 16.018 -1.983 563 HB2 GLU 70 2HB GLU 70 -8.617 13.761 0.024 564 HB3 GLU 70 1HB GLU 70 -9.562 15.233 0.218 565 HG2 GLU 70 2HG GLU 70 -9.840 13.318 -2.116 566 HG3 GLU 70 1HG GLU 70 -10.896 13.327 -0.703 567 H HIS 71 H HIS 71 -5.643 15.006 -1.475 568 HA HIS 71 HA HIS 71 -5.122 17.135 0.516 569 HB2 HIS 71 2HB HIS 71 -3.965 14.348 0.404 570 HB3 HIS 71 1HB HIS 71 -3.200 15.660 1.303 571 HD1 HIS 71 HD1 HIS 71 -4.635 16.727 3.278 572 HD2 HIS 71 HD2 HIS 71 -6.199 13.215 1.665 573 HE1 HIS 71 HE1 HIS 71 -6.369 15.892 4.926 574 H ASP 72 H ASP 72 -4.325 18.673 -0.778 575 HA ASP 72 HA ASP 72 -2.738 18.207 -3.084 576 HB2 ASP 72 2HB ASP 72 -4.048 20.289 -2.660 577 HB3 ASP 72 1HB ASP 72 -2.880 20.726 -1.414 578 H VAL 73 H VAL 73 -1.952 18.948 0.286 579 HA VAL 73 HA VAL 73 0.819 19.356 -0.062 580 HB VAL 73 HB VAL 73 -0.727 18.331 2.331 581 HG11 VAL 73 1HG1 VAL 73 1.346 19.264 3.544 582 HG12 VAL 73 2HG1 VAL 73 2.148 19.194 1.975 583 HG13 VAL 73 3HG1 VAL 73 1.532 17.716 2.717 584 HG21 VAL 73 3HG2 VAL 73 -1.444 20.548 1.684 585 HG22 VAL 73 1HG2 VAL 73 0.225 21.078 1.471 586 HG23 VAL 73 2HG2 VAL 73 -0.388 20.715 3.085 587 H ILE 74 H ILE 74 -1.026 16.430 0.809 588 HA ILE 74 HA ILE 74 1.250 14.736 0.978 589 HB ILE 74 HB ILE 74 -1.661 14.099 0.486 590 HG12 ILE 74 2HG1 ILE 74 0.017 13.858 2.997 591 HG13 ILE 74 1HG1 ILE 74 -1.019 15.239 2.650 592 HG21 ILE 74 1HG2 ILE 74 0.729 12.334 1.072 593 HG22 ILE 74 2HG2 ILE 74 -0.397 12.211 -0.280 594 HG23 ILE 74 3HG2 ILE 74 -0.932 11.812 1.351 595 HD11 ILE 74 3HD1 ILE 74 -1.814 12.377 3.181 596 HD12 ILE 74 1HD1 ILE 74 -2.905 13.475 2.335 597 HD13 ILE 74 2HD1 ILE 74 -2.383 13.843 3.980 598 H GLY 75 H GLY 75 -1.264 15.024 -1.559 599 HA2 GLY 75 2HA GLY 75 -1.276 14.088 -3.708 600 HA3 GLY 75 1HA GLY 75 0.087 15.201 -3.849 601 H THR 76 H THR 76 1.034 13.740 -5.394 602 HA THR 76 HA THR 76 2.664 12.233 -5.964 603 HB THR 76 HB THR 76 2.882 11.267 -3.120 604 HG1 THR 76 HG1 THR 76 4.208 13.108 -2.737 605 HG21 THR 76 3HG2 THR 76 5.201 11.044 -3.679 606 HG22 THR 76 1HG2 THR 76 5.004 12.003 -5.145 607 HG23 THR 76 2HG2 THR 76 4.289 10.394 -5.041 608 H LYS 77 H LYS 77 0.523 10.969 -3.426 609 HA LYS 77 HA LYS 77 0.544 8.298 -4.314 610 HB2 LYS 77 2HB LYS 77 -1.622 8.173 -2.995 611 HB3 LYS 77 1HB LYS 77 -0.202 8.724 -2.110 612 HG2 LYS 77 2HG LYS 77 -0.894 10.993 -2.201 613 HG3 LYS 77 1HG LYS 77 -2.134 10.648 -3.406 614 HD2 LYS 77 2HD LYS 77 -3.104 10.937 -1.153 615 HD3 LYS 77 1HD LYS 77 -3.369 9.304 -1.763 616 HE2 LYS 77 2HE LYS 77 -1.722 8.382 -0.345 617 HE3 LYS 77 1HE LYS 77 -0.971 9.948 -0.048 618 HZ1 LYS 77 3HZ LYS 77 -2.555 10.531 1.457 619 HZ2 LYS 77 1HZ LYS 77 -2.584 8.852 1.688 620 HZ3 LYS 77 2HZ LYS 77 -3.772 9.595 0.727 621 H VAL 78 H VAL 78 -1.155 11.121 -5.390 622 HA VAL 78 HA VAL 78 -3.326 9.874 -6.701 623 HB VAL 78 HB VAL 78 -1.863 12.449 -7.320 624 HG11 VAL 78 1HG1 VAL 78 -4.404 11.240 -8.422 625 HG12 VAL 78 2HG1 VAL 78 -3.038 11.920 -9.307 626 HG13 VAL 78 3HG1 VAL 78 -4.134 12.984 -8.426 627 HG21 VAL 78 3HG2 VAL 78 -2.861 12.467 -5.112 628 HG22 VAL 78 1HG2 VAL 78 -4.369 11.803 -5.742 629 HG23 VAL 78 2HG2 VAL 78 -3.869 13.435 -6.186 630 H CYS 79 H CYS 79 -0.143 10.918 -7.931 631 HA CYS 79 HA CYS 79 -0.556 9.858 -10.546 632 HB2 CYS 79 2HB CYS 79 1.969 10.629 -9.074 633 HB3 CYS 79 1HB CYS 79 1.916 10.168 -10.774 634 HG CYS 79 HG CYS 79 1.048 12.416 -11.342 635 H ALA 80 H ALA 80 0.919 8.624 -7.588 636 HA ALA 80 HA ALA 80 2.054 6.287 -8.721 637 HB1 ALA 80 3HB ALA 80 1.055 6.620 -5.891 638 HB2 ALA 80 1HB ALA 80 2.599 7.252 -6.463 639 HB3 ALA 80 2HB ALA 80 2.303 5.513 -6.463 640 H LEU 81 H LEU 81 -1.034 6.807 -7.007 641 HA LEU 81 HA LEU 81 -1.922 4.142 -7.208 642 HB2 LEU 81 2HB LEU 81 -2.951 5.754 -5.671 643 HB3 LEU 81 1HB LEU 81 -3.525 6.715 -7.031 644 HG LEU 81 HG LEU 81 -4.928 4.841 -7.788 645 HD11 LEU 81 1HD1 LEU 81 -5.149 2.932 -5.976 646 HD12 LEU 81 2HD1 LEU 81 -3.513 3.424 -5.542 647 HD13 LEU 81 3HD1 LEU 81 -3.859 2.860 -7.174 648 HD21 LEU 81 3HD2 LEU 81 -6.506 4.804 -5.849 649 HD22 LEU 81 1HD2 LEU 81 -5.924 6.426 -6.228 650 HD23 LEU 81 2HD2 LEU 81 -5.255 5.546 -4.854 651 H LEU 82 H LEU 82 -2.555 6.965 -9.284 652 HA LEU 82 HA LEU 82 -4.218 5.591 -11.118 653 HB2 LEU 82 2HB LEU 82 -2.740 8.178 -11.063 654 HB3 LEU 82 1HB LEU 82 -3.253 7.592 -12.642 655 HG LEU 82 HG LEU 82 -4.921 9.092 -11.471 656 HD11 LEU 82 1HD1 LEU 82 -6.310 6.455 -11.727 657 HD12 LEU 82 2HD1 LEU 82 -5.402 7.006 -13.132 658 HD13 LEU 82 3HD1 LEU 82 -6.690 8.008 -12.471 659 HD21 LEU 82 3HD2 LEU 82 -5.626 6.751 -9.704 660 HD22 LEU 82 1HD2 LEU 82 -6.001 8.460 -9.489 661 HD23 LEU 82 2HD2 LEU 82 -4.370 7.868 -9.185 662 H ASP 83 H ASP 83 -0.744 6.147 -11.003 663 HA ASP 83 HA ASP 83 -0.123 5.118 -13.538 664 HB2 ASP 83 2HB ASP 83 1.401 5.437 -10.963 665 HB3 ASP 83 1HB ASP 83 2.142 4.619 -12.335 666 H ARG 84 H ARG 84 -0.290 3.559 -10.348 667 HA ARG 84 HA ARG 84 0.443 0.979 -11.267 668 HB2 ARG 84 2HB ARG 84 -1.065 1.876 -8.808 669 HB3 ARG 84 1HB ARG 84 -0.584 0.202 -9.109 670 HG2 ARG 84 2HG ARG 84 1.769 0.876 -9.244 671 HG3 ARG 84 1HG ARG 84 1.316 2.562 -9.001 672 HD2 ARG 84 2HD ARG 84 0.387 2.011 -6.796 673 HD3 ARG 84 1HD ARG 84 0.807 0.318 -7.032 674 HE ARG 84 HE ARG 84 3.163 1.754 -7.369 675 HH11 ARG 84 1HH2 ARG 84 0.763 1.252 -4.929 676 HH12 ARG 84 2HH2 ARG 84 1.865 1.453 -3.607 677 HH21 ARG 84 1HH1 ARG 84 4.615 2.018 -5.643 678 HH22 ARG 84 2HH1 ARG 84 4.044 1.888 -4.013 679 H LEU 85 H LEU 85 -2.653 2.616 -10.865 680 HA LEU 85 HA LEU 85 -4.331 0.406 -11.279 681 HB2 LEU 85 2HB LEU 85 -5.196 2.539 -10.457 682 HB3 LEU 85 1HB LEU 85 -4.772 3.322 -11.978 683 HG LEU 85 HG LEU 85 -6.363 1.879 -13.188 684 HD11 LEU 85 1HD1 LEU 85 -6.621 0.593 -10.477 685 HD12 LEU 85 2HD1 LEU 85 -6.428 -0.169 -12.054 686 HD13 LEU 85 3HD1 LEU 85 -7.978 0.543 -11.606 687 HD21 LEU 85 3HD2 LEU 85 -7.468 3.293 -10.746 688 HD22 LEU 85 1HD2 LEU 85 -8.474 2.707 -12.073 689 HD23 LEU 85 2HD2 LEU 85 -7.264 3.955 -12.369 690 H ALA 86 H ALA 86 -2.878 2.688 -13.570 691 HA ALA 86 HA ALA 86 -4.140 1.746 -15.894 692 HB1 ALA 86 3HB ALA 86 -1.318 2.806 -15.816 693 HB2 ALA 86 1HB ALA 86 -2.719 3.855 -15.597 694 HB3 ALA 86 2HB ALA 86 -2.511 2.965 -17.106 695 H GLY 87 H GLY 87 -1.569 0.435 -13.987 696 HA2 GLY 87 2HA GLY 87 -1.118 -1.958 -14.192 697 HA3 GLY 87 1HA GLY 87 -1.229 -1.774 -15.942 698 H ASP 88 H ASP 88 0.403 0.501 -13.810 699 HA ASP 88 HA ASP 88 2.833 0.250 -15.346 700 HB2 ASP 88 2HB ASP 88 2.108 1.895 -12.919 701 HB3 ASP 88 1HB ASP 88 3.691 1.944 -13.690 702 H TYR 89 H TYR 89 1.984 -0.253 -11.913 703 HA TYR 89 HA TYR 89 3.109 -1.351 -10.232 704 HB2 TYR 89 2HB TYR 89 3.450 -3.704 -10.715 705 HB3 TYR 89 1HB TYR 89 1.945 -3.158 -11.447 706 HD1 TYR 89 HD1 TYR 89 5.468 -4.099 -12.116 707 HD2 TYR 89 HD2 TYR 89 1.686 -3.027 -13.846 708 HE1 TYR 89 HE1 TYR 89 6.292 -4.791 -14.348 709 HE2 TYR 89 HE2 TYR 89 2.513 -3.724 -16.080 710 HH TYR 89 HH TYR 89 4.557 -5.557 -16.791 711 H VAL 90 H VAL 90 5.195 -2.939 -9.957 712 HA VAL 90 HA VAL 90 7.465 -1.825 -11.470 713 HB VAL 90 HB VAL 90 8.695 -1.370 -9.395 714 HG11 VAL 90 1HG1 VAL 90 7.570 0.688 -8.850 715 HG12 VAL 90 2HG1 VAL 90 6.017 0.040 -9.382 716 HG13 VAL 90 3HG1 VAL 90 7.285 0.376 -10.562 717 HG21 VAL 90 3HG2 VAL 90 7.372 -1.290 -7.263 718 HG22 VAL 90 1HG2 VAL 90 7.600 -2.920 -7.892 719 HG23 VAL 90 2HG2 VAL 90 6.056 -2.099 -8.112 720 H TYR 91 H TYR 91 9.528 -2.993 -10.871 721 HA TYR 91 HA TYR 91 8.915 -5.876 -10.642 722 HB2 TYR 91 2HB TYR 91 11.383 -4.441 -11.635 723 HB3 TYR 91 1HB TYR 91 11.182 -6.190 -11.581 724 HD1 TYR 91 HD2 TYR 91 8.974 -7.100 -12.726 725 HD2 TYR 91 HD1 TYR 91 10.794 -3.308 -13.596 726 HE1 TYR 91 HE2 TYR 91 7.798 -7.038 -14.907 727 HE2 TYR 91 HE1 TYR 91 9.612 -3.240 -15.774 728 HH TYR 91 HH TYR 91 8.316 -4.356 -17.199 729 H LEU 92 H LEU 92 9.725 -7.106 -9.045 730 HA LEU 92 HA LEU 92 11.635 -5.897 -7.162 731 HB2 LEU 92 2HB LEU 92 10.336 -6.469 -5.260 732 HB3 LEU 92 1HB LEU 92 9.193 -5.749 -6.400 733 HG LEU 92 HG LEU 92 8.873 -8.208 -7.213 734 HD11 LEU 92 1HD1 LEU 92 9.110 -9.309 -4.536 735 HD12 LEU 92 2HD1 LEU 92 10.682 -8.706 -5.052 736 HD13 LEU 92 3HD1 LEU 92 9.829 -9.888 -6.039 737 HD21 LEU 92 3HD2 LEU 92 7.009 -7.079 -6.332 738 HD22 LEU 92 1HD2 LEU 92 7.732 -6.936 -4.729 739 HD23 LEU 92 2HD2 LEU 92 7.146 -8.498 -5.294 740 H PHE 93 H PHE 93 13.138 -7.242 -6.326 741 HA PHE 93 HA PHE 93 12.848 -10.133 -6.620 742 HB2 PHE 93 2HB PHE 93 15.184 -10.169 -7.765 743 HB3 PHE 93 1HB PHE 93 13.768 -9.816 -8.754 744 HD1 PHE 93 HD2 PHE 93 13.273 -7.528 -9.491 745 HD2 PHE 93 HD1 PHE 93 16.801 -8.442 -7.216 746 HE1 PHE 93 HE2 PHE 93 14.237 -5.329 -10.105 747 HE2 PHE 93 HE1 PHE 93 17.764 -6.239 -7.828 748 HZ PHE 93 HZ PHE 93 16.482 -4.683 -9.275 749 H ASP 94 H ASP 94 14.684 -11.306 -5.636 750 HA ASP 94 HA ASP 94 15.368 -10.094 -3.116 751 HB2 ASP 94 2HB ASP 94 16.461 -12.242 -2.642 752 HB3 ASP 94 1HB ASP 94 14.837 -12.491 -3.276 753 H GLU 95 H GLU 95 17.772 -10.570 -2.375 754 HA GLU 95 HA GLU 95 19.420 -8.812 -3.911 755 HB2 GLU 95 2HB GLU 95 20.015 -10.572 -1.526 756 HB3 GLU 95 1HB GLU 95 21.177 -9.447 -2.229 757 HG2 GLU 95 2HG GLU 95 19.600 -7.584 -1.845 758 HG3 GLU 95 1HG GLU 95 18.449 -8.711 -1.131 759 H GLY 96 H GLY 96 18.527 -11.357 -5.209 760 HA2 GLY 96 2HA GLY 96 21.183 -12.496 -5.886 761 HA3 GLY 96 1HA GLY 96 19.690 -13.429 -5.890 762 H GLY 97 H GLY 97 17.928 -12.532 -7.365 763 HA2 GLY 97 2HA GLY 97 18.208 -10.794 -9.443 764 HA3 GLY 97 1HA GLY 97 19.056 -12.234 -10.004 765 H ASP 98 H ASP 98 17.192 -13.932 -8.364 766 HA ASP 98 HA ASP 98 15.185 -14.283 -10.421 767 HB2 ASP 98 2HB ASP 98 15.879 -15.751 -7.881 768 HB3 ASP 98 1HB ASP 98 14.456 -16.161 -8.828 769 H GLU 99 H GLU 99 13.254 -13.358 -10.428 770 HA GLU 99 HA GLU 99 12.347 -11.647 -8.362 771 HB2 GLU 99 2HB GLU 99 10.917 -12.864 -10.734 772 HB3 GLU 99 1HB GLU 99 10.203 -11.654 -9.672 773 HG2 GLU 99 2HG GLU 99 11.964 -10.067 -10.216 774 HG3 GLU 99 1HG GLU 99 12.799 -11.280 -11.182 775 H VAL 100 H VAL 100 12.248 -12.786 -6.420 776 HA VAL 100 HA VAL 100 9.899 -14.536 -6.138 777 HB VAL 100 HB VAL 100 11.999 -15.931 -6.419 778 HG11 VAL 100 1HG1 VAL 100 13.395 -14.257 -5.063 779 HG12 VAL 100 2HG1 VAL 100 13.632 -15.962 -4.679 780 HG13 VAL 100 3HG1 VAL 100 12.638 -14.950 -3.629 781 HG21 VAL 100 3HG2 VAL 100 11.427 -17.394 -4.501 782 HG22 VAL 100 1HG2 VAL 100 9.978 -16.782 -5.298 783 HG23 VAL 100 2HG2 VAL 100 10.515 -16.072 -3.775 784 H ILE 101 H ILE 101 8.764 -14.157 -4.335 785 HA ILE 101 HA ILE 101 9.354 -11.874 -2.741 786 HB ILE 101 HB ILE 101 7.347 -14.099 -2.307 787 HG12 ILE 101 2HG1 ILE 101 6.865 -11.308 -3.378 788 HG13 ILE 101 1HG1 ILE 101 7.252 -12.657 -4.448 789 HG21 ILE 101 1HG2 ILE 101 7.694 -12.944 -0.218 790 HG22 ILE 101 2HG2 ILE 101 6.211 -12.297 -0.920 791 HG23 ILE 101 3HG2 ILE 101 7.710 -11.375 -1.024 792 HD11 ILE 101 3HD1 ILE 101 4.985 -12.732 -2.441 793 HD12 ILE 101 1HD1 ILE 101 5.308 -13.881 -3.740 794 HD13 ILE 101 2HD1 ILE 101 4.772 -12.248 -4.123 795 H ALA 102 H ALA 102 10.404 -11.687 -0.852 796 HA ALA 102 HA ALA 102 10.726 -13.921 0.931 797 HB1 ALA 102 3HB ALA 102 12.790 -14.657 0.339 798 HB2 ALA 102 1HB ALA 102 13.437 -13.015 0.348 799 HB3 ALA 102 2HB ALA 102 12.662 -13.649 -1.103 800 HA PRO 103 HA PRO 103 11.330 -10.960 4.142 801 HB2 PRO 103 2HB PRO 103 14.145 -11.913 4.573 802 HB3 PRO 103 1HB PRO 103 12.821 -11.745 5.745 803 HG2 PRO 103 2HG PRO 103 13.550 -14.134 4.834 804 HG3 PRO 103 1HG PRO 103 11.844 -13.743 5.127 805 HD2 PRO 103 2HD PRO 103 13.304 -13.965 2.516 806 HD3 PRO 103 1HD PRO 103 11.616 -14.356 2.910 807 H ARG 104 H ARG 104 14.269 -11.283 2.132 808 HA ARG 104 HA ARG 104 14.693 -8.356 2.298 809 HB2 ARG 104 2HB ARG 104 16.601 -10.459 1.252 810 HB3 ARG 104 1HB ARG 104 16.962 -8.775 1.629 811 HG2 ARG 104 2HG ARG 104 17.654 -9.612 3.658 812 HG3 ARG 104 1HG ARG 104 15.934 -9.621 4.041 813 HD2 ARG 104 2HD ARG 104 15.892 -11.974 3.012 814 HD3 ARG 104 1HD ARG 104 17.649 -11.912 3.085 815 HE ARG 104 HE ARG 104 16.758 -11.219 5.619 816 HH11 ARG 104 1HH2 ARG 104 16.485 -13.872 3.417 817 HH12 ARG 104 2HH2 ARG 104 16.351 -15.069 4.661 818 HH21 ARG 104 1HH1 ARG 104 16.579 -12.775 7.254 819 HH22 ARG 104 2HH1 ARG 104 16.404 -14.448 6.835 820 H MET 105 H MET 105 12.892 -8.090 0.796 821 HA MET 105 HA MET 105 13.530 -8.824 -1.998 822 HB2 MET 105 2HB MET 105 11.097 -8.072 -2.350 823 HB3 MET 105 1HB MET 105 11.357 -9.583 -1.478 824 HG2 MET 105 2HG MET 105 10.935 -8.563 0.631 825 HG3 MET 105 1HG MET 105 11.071 -6.940 -0.038 826 HE1 MET 105 3HE MET 105 9.068 -6.654 1.449 827 HE2 MET 105 1HE MET 105 7.464 -6.581 0.705 828 HE3 MET 105 2HE MET 105 8.791 -5.631 0.039 829 H TYR 106 H TYR 106 13.983 -7.299 -3.461 830 HA TYR 106 HA TYR 106 13.977 -4.476 -2.578 831 HB2 TYR 106 2HB TYR 106 16.174 -5.177 -3.234 832 HB3 TYR 106 1HB TYR 106 15.564 -5.949 -4.696 833 HD1 TYR 106 HD1 TYR 106 15.929 -2.639 -3.000 834 HD2 TYR 106 HD2 TYR 106 15.294 -4.721 -6.702 835 HE1 TYR 106 HE1 TYR 106 16.172 -0.507 -4.241 836 HE2 TYR 106 HE2 TYR 106 15.544 -2.589 -7.952 837 HH TYR 106 HH TYR 106 16.645 0.320 -6.390 838 H CYS 107 H CYS 107 11.930 -3.804 -3.067 839 HA CYS 107 HA CYS 107 10.859 -4.283 -5.757 840 HB2 CYS 107 2HB CYS 107 9.249 -4.678 -4.047 841 HB3 CYS 107 1HB CYS 107 9.641 -3.162 -3.244 842 HG CYS 107 HG CYS 107 7.676 -2.389 -4.609 843 H SER 108 H SER 108 11.044 -2.890 -7.311 844 HA SER 108 HA SER 108 10.822 -0.064 -6.921 845 HB2 SER 108 2HB SER 108 13.583 -1.135 -7.534 846 HB3 SER 108 1HB SER 108 13.110 0.557 -7.649 847 HG SER 108 HG SER 108 14.016 0.181 -5.631 848 H PHE 109 H PHE 109 11.372 1.148 -8.999 849 HA PHE 109 HA PHE 109 10.215 -0.349 -11.207 850 HB2 PHE 109 2HB PHE 109 9.921 2.239 -10.402 851 HB3 PHE 109 1HB PHE 109 11.143 2.453 -11.651 852 HD1 PHE 109 HD2 PHE 109 10.505 0.443 -13.646 853 HD2 PHE 109 HD1 PHE 109 7.847 2.859 -11.290 854 HE1 PHE 109 HE2 PHE 109 8.745 0.188 -15.372 855 HE2 PHE 109 HE1 PHE 109 6.089 2.603 -13.014 856 HZ PHE 109 HZ PHE 109 6.536 1.268 -15.055 857 H SER 110 H SER 110 12.605 -1.481 -10.632 858 HA SER 110 HA SER 110 14.201 -0.771 -13.005 859 HB2 SER 110 2HB SER 110 15.187 0.282 -10.923 860 HB3 SER 110 1HB SER 110 15.471 -1.355 -10.331 861 HG SER 110 HG SER 110 16.488 -0.115 -12.670 862 H ALA 111 H ALA 111 15.846 -2.506 -13.444 863 HA ALA 111 HA ALA 111 14.545 -5.111 -13.030 864 HB1 ALA 111 3HB ALA 111 15.009 -5.499 -15.212 865 HB2 ALA 111 1HB ALA 111 16.728 -5.187 -14.950 866 HB3 ALA 111 2HB ALA 111 15.636 -3.854 -15.319 867 HA PRO 112 HA PRO 112 17.683 -7.050 -10.627 868 HB2 PRO 112 2HB PRO 112 18.512 -8.735 -12.966 869 HB3 PRO 112 1HB PRO 112 18.030 -9.236 -11.332 870 HG2 PRO 112 2HG PRO 112 16.385 -9.518 -13.415 871 HG3 PRO 112 1HG PRO 112 15.779 -9.077 -11.805 872 HD2 PRO 112 2HD PRO 112 16.109 -7.349 -14.233 873 HD3 PRO 112 1HD PRO 112 14.901 -7.266 -12.931 874 H ASP 113 H ASP 113 18.758 -6.309 -13.940 875 HA ASP 113 HA ASP 113 21.533 -6.038 -13.154 876 HB2 ASP 113 2HB ASP 113 21.888 -5.366 -15.489 877 HB3 ASP 113 1HB ASP 113 20.948 -6.854 -15.398 878 H ASP 114 H ASP 114 19.836 -4.376 -11.644 879 HA ASP 114 HA ASP 114 19.327 -1.815 -12.338 880 HB2 ASP 114 2HB ASP 114 20.780 -2.693 -9.833 881 HB3 ASP 114 1HB ASP 114 19.977 -1.137 -10.046 Start of MODEL 6 1 HA2 GLY 1 2HA GLY 1 19.206 -42.707 0.483 2 HA3 GLY 1 1HA GLY 1 20.046 -44.256 0.395 3 H LYS 2 H LYS 2 17.633 -42.387 2.121 4 HA LYS 2 HA LYS 2 16.949 -44.503 3.952 5 HB2 LYS 2 2HB LYS 2 16.560 -41.860 4.086 6 HB3 LYS 2 1HB LYS 2 15.025 -42.283 3.329 7 HG2 LYS 2 2HG LYS 2 14.458 -42.503 5.580 8 HG3 LYS 2 1HG LYS 2 14.970 -44.149 5.221 9 HD2 LYS 2 2HD LYS 2 17.316 -43.415 5.962 10 HD3 LYS 2 1HD LYS 2 16.532 -41.983 6.626 11 HE2 LYS 2 2HE LYS 2 16.604 -43.513 8.428 12 HE3 LYS 2 1HE LYS 2 14.951 -43.617 7.825 13 HZ1 LYS 2 3HZ LYS 2 15.938 -45.805 8.194 14 HZ2 LYS 2 1HZ LYS 2 17.158 -45.450 7.071 15 HZ3 LYS 2 2HZ LYS 2 15.541 -45.563 6.560 16 H LYS 3 H LYS 3 14.681 -45.380 4.023 17 HA LYS 3 HA LYS 3 13.530 -45.799 1.332 18 HB2 LYS 3 2HB LYS 3 14.167 -47.909 3.400 19 HB3 LYS 3 1HB LYS 3 13.162 -48.185 1.977 20 HG2 LYS 3 2HG LYS 3 15.036 -47.517 0.518 21 HG3 LYS 3 1HG LYS 3 16.043 -47.236 1.938 22 HD2 LYS 3 2HD LYS 3 15.809 -49.605 2.582 23 HD3 LYS 3 1HD LYS 3 14.797 -49.891 1.166 24 HE2 LYS 3 2HE LYS 3 16.661 -49.226 -0.307 25 HE3 LYS 3 1HE LYS 3 17.674 -48.936 1.107 26 HZ1 LYS 3 3HZ LYS 3 16.385 -51.547 0.565 27 HZ2 LYS 3 1HZ LYS 3 17.624 -51.207 1.673 28 HZ3 LYS 3 2HZ LYS 3 17.942 -51.158 0.003 29 H VAL 4 H VAL 4 13.120 -45.737 4.828 30 HA VAL 4 HA VAL 4 10.344 -46.349 4.860 31 HB VAL 4 HB VAL 4 10.372 -45.573 7.143 32 HG11 VAL 4 1HG1 VAL 4 12.122 -46.950 8.022 33 HG12 VAL 4 2HG1 VAL 4 13.123 -46.711 6.590 34 HG13 VAL 4 3HG1 VAL 4 11.651 -47.679 6.486 35 HG21 VAL 4 3HG2 VAL 4 12.927 -44.194 6.292 36 HG22 VAL 4 1HG2 VAL 4 12.509 -44.442 7.985 37 HG23 VAL 4 2HG2 VAL 4 11.473 -43.452 6.955 38 H GLU 5 H GLU 5 9.032 -44.422 6.170 39 HA GLU 5 HA GLU 5 9.032 -42.113 4.302 40 HB2 GLU 5 2HB GLU 5 6.499 -42.086 5.245 41 HB3 GLU 5 1HB GLU 5 6.966 -43.031 3.833 42 HG2 GLU 5 2HG GLU 5 5.657 -44.380 5.439 43 HG3 GLU 5 1HG GLU 5 7.285 -45.021 5.237 44 H PHE 6 H PHE 6 9.050 -40.114 5.134 45 HA PHE 6 HA PHE 6 9.242 -39.853 8.076 46 HB2 PHE 6 2HB PHE 6 10.454 -38.396 5.752 47 HB3 PHE 6 1HB PHE 6 10.163 -37.486 7.236 48 HD1 PHE 6 HD1 PHE 6 11.261 -41.004 6.500 49 HD2 PHE 6 HD2 PHE 6 12.119 -37.299 8.500 50 HE1 PHE 6 HE1 PHE 6 13.278 -42.015 7.520 51 HE2 PHE 6 HE2 PHE 6 14.139 -38.312 9.510 52 HZ PHE 6 HZ PHE 6 14.721 -40.671 9.019 53 H ASN 7 H ASN 7 8.700 -37.306 8.515 54 HA ASN 7 HA ASN 7 5.997 -36.790 7.424 55 HB2 ASN 7 2HB ASN 7 6.845 -36.641 10.328 56 HB3 ASN 7 1HB ASN 7 5.284 -36.120 9.694 57 HD21 ASN 7 1HD2 ASN 7 5.327 -38.443 7.698 58 HD22 ASN 7 2HD2 ASN 7 4.911 -39.802 8.628 59 H ASP 8 H ASP 8 5.711 -34.776 6.744 60 HA ASP 8 HA ASP 8 7.875 -32.864 6.984 61 HB2 ASP 8 2HB ASP 8 6.411 -33.247 4.912 62 HB3 ASP 8 1HB ASP 8 5.157 -32.354 5.771 63 H LYS 9 H LYS 9 7.827 -32.527 9.278 64 HA LYS 9 HA LYS 9 5.737 -30.603 10.043 65 HB2 LYS 9 2HB LYS 9 5.650 -31.552 12.299 66 HB3 LYS 9 1HB LYS 9 5.136 -32.719 11.080 67 HG2 LYS 9 2HG LYS 9 7.557 -33.549 11.072 68 HG3 LYS 9 1HG LYS 9 7.776 -32.594 12.539 69 HD2 LYS 9 2HD LYS 9 5.737 -33.813 13.474 70 HD3 LYS 9 1HD LYS 9 5.884 -34.911 12.102 71 HE2 LYS 9 2HE LYS 9 8.338 -35.205 12.822 72 HE3 LYS 9 1HE LYS 9 7.859 -34.441 14.337 73 HZ1 LYS 9 3HZ LYS 9 6.811 -36.270 15.001 74 HZ2 LYS 9 1HZ LYS 9 7.630 -37.080 13.756 75 HZ3 LYS 9 2HZ LYS 9 6.054 -36.502 13.498 76 HA PRO 10 HA PRO 10 9.036 -27.871 11.255 77 HB2 PRO 10 2HB PRO 10 7.503 -27.626 13.826 78 HB3 PRO 10 1HB PRO 10 8.139 -26.345 12.776 79 HG2 PRO 10 2HG PRO 10 5.535 -26.996 12.819 80 HG3 PRO 10 1HG PRO 10 6.352 -26.466 11.339 81 HD2 PRO 10 2HD PRO 10 5.393 -29.180 12.063 82 HD3 PRO 10 1HD PRO 10 5.702 -28.468 10.465 83 H LYS 11 H LYS 11 10.998 -28.402 12.052 84 HA LYS 11 HA LYS 11 11.500 -30.719 13.571 85 HB2 LYS 11 2HB LYS 11 13.293 -28.297 13.303 86 HB3 LYS 11 1HB LYS 11 13.788 -29.951 13.664 87 HG2 LYS 11 2HG LYS 11 12.412 -29.092 11.099 88 HG3 LYS 11 1HG LYS 11 14.152 -29.327 11.266 89 HD2 LYS 11 2HD LYS 11 13.559 -31.700 12.110 90 HD3 LYS 11 1HD LYS 11 11.955 -31.395 11.442 91 HE2 LYS 11 2HE LYS 11 12.937 -30.938 9.239 92 HE3 LYS 11 1HE LYS 11 14.552 -31.230 9.893 93 HZ1 LYS 11 3HZ LYS 11 13.665 -33.192 8.788 94 HZ2 LYS 11 1HZ LYS 11 12.330 -33.202 9.837 95 HZ3 LYS 11 2HZ LYS 11 13.892 -33.478 10.448 96 H VAL 12 H VAL 12 11.945 -27.324 14.574 97 HA VAL 12 HA VAL 12 12.000 -28.103 17.369 98 HB VAL 12 HB VAL 12 12.241 -25.613 17.725 99 HG11 VAL 12 1HG1 VAL 12 14.500 -25.516 16.731 100 HG12 VAL 12 2HG1 VAL 12 14.126 -26.942 15.763 101 HG13 VAL 12 3HG1 VAL 12 14.198 -27.061 17.523 102 HG21 VAL 12 3HG2 VAL 12 10.985 -25.132 15.512 103 HG22 VAL 12 1HG2 VAL 12 12.517 -25.481 14.714 104 HG23 VAL 12 2HG2 VAL 12 12.403 -24.145 15.861 105 H ARG 13 H ARG 13 10.605 -25.247 17.619 106 HA ARG 13 HA ARG 13 8.197 -26.075 18.707 107 HB2 ARG 13 2HB ARG 13 7.485 -23.725 18.490 108 HB3 ARG 13 1HB ARG 13 9.140 -23.848 19.090 109 HG2 ARG 13 2HG ARG 13 10.000 -23.453 16.810 110 HG3 ARG 13 1HG ARG 13 8.348 -23.325 16.206 111 HD2 ARG 13 2HD ARG 13 7.958 -21.416 17.739 112 HD3 ARG 13 1HD ARG 13 9.632 -21.524 18.275 113 HE ARG 13 HE ARG 13 9.682 -21.300 15.492 114 HH11 ARG 13 1HH2 ARG 13 8.632 -19.503 18.256 115 HH12 ARG 13 2HH2 ARG 13 8.886 -17.957 17.519 116 HH21 ARG 13 1HH1 ARG 13 10.019 -19.277 14.518 117 HH22 ARG 13 2HH1 ARG 13 9.671 -17.828 15.403 118 H LYS 14 H LYS 14 6.106 -24.787 17.644 119 HA LYS 14 HA LYS 14 5.732 -26.102 15.002 120 HB2 LYS 14 2HB LYS 14 3.741 -25.498 17.198 121 HB3 LYS 14 1HB LYS 14 3.316 -26.133 15.607 122 HG2 LYS 14 2HG LYS 14 4.759 -28.091 15.993 123 HG3 LYS 14 1HG LYS 14 5.193 -27.461 17.582 124 HD2 LYS 14 2HD LYS 14 2.826 -27.557 18.270 125 HD3 LYS 14 1HD LYS 14 2.392 -28.193 16.684 126 HE2 LYS 14 2HE LYS 14 3.826 -30.156 17.065 127 HE3 LYS 14 1HE LYS 14 4.288 -29.521 18.645 128 HZ1 LYS 14 3HZ LYS 14 2.116 -31.109 18.074 129 HZ2 LYS 14 1HZ LYS 14 1.465 -29.567 18.342 130 HZ3 LYS 14 2HZ LYS 14 2.431 -30.299 19.533 131 H ILE 15 H ILE 15 5.432 -24.815 13.327 132 HA ILE 15 HA ILE 15 4.675 -22.023 13.859 133 HB ILE 15 HB ILE 15 5.620 -21.731 11.437 134 HG12 ILE 15 2HG1 ILE 15 7.103 -24.213 12.325 135 HG13 ILE 15 1HG1 ILE 15 5.763 -24.249 11.176 136 HG21 ILE 15 1HG2 ILE 15 7.907 -21.474 12.402 137 HG22 ILE 15 2HG2 ILE 15 7.345 -22.303 13.856 138 HG23 ILE 15 3HG2 ILE 15 6.645 -20.749 13.401 139 HD11 ILE 15 3HD1 ILE 15 6.944 -22.882 9.612 140 HD12 ILE 15 1HD1 ILE 15 8.086 -24.120 10.141 141 HD13 ILE 15 2HD1 ILE 15 8.189 -22.485 10.797 142 HA PRO 16 HA PRO 16 0.872 -22.427 11.685 143 HB2 PRO 16 2HB PRO 16 1.503 -19.942 10.155 144 HB3 PRO 16 1HB PRO 16 0.136 -20.279 11.236 145 HG2 PRO 16 2HG PRO 16 2.126 -18.666 11.977 146 HG3 PRO 16 1HG PRO 16 1.340 -19.757 13.132 147 HD2 PRO 16 2HD PRO 16 3.999 -20.056 11.768 148 HD3 PRO 16 1HD PRO 16 3.520 -20.431 13.436 149 H SER 17 H SER 17 -0.039 -23.041 9.668 150 HA SER 17 HA SER 17 1.804 -24.182 7.795 151 HB2 SER 17 2HB SER 17 -1.198 -23.951 7.920 152 HB3 SER 17 1HB SER 17 -0.394 -24.600 6.492 153 HG SER 17 HG SER 17 -0.816 -25.729 8.926 154 H THR 18 H THR 18 0.347 -21.111 8.130 155 HA THR 18 HA THR 18 0.541 -20.432 5.288 156 HB THR 18 HB THR 18 -0.432 -18.316 5.916 157 HG1 THR 18 HG1 THR 18 -0.804 -17.886 8.133 158 HG21 THR 18 3HG2 THR 18 -2.535 -19.079 6.724 159 HG22 THR 18 1HG2 THR 18 -1.791 -20.406 7.620 160 HG23 THR 18 2HG2 THR 18 -1.842 -20.448 5.855 161 H ARG 19 H ARG 19 1.447 -17.948 5.170 162 HA ARG 19 HA ARG 19 4.135 -17.961 6.425 163 HB2 ARG 19 2HB ARG 19 4.310 -18.661 4.071 164 HB3 ARG 19 1HB ARG 19 3.464 -17.197 3.571 165 HG2 ARG 19 2HG ARG 19 5.232 -15.796 4.424 166 HG3 ARG 19 1HG ARG 19 6.034 -17.179 5.169 167 HD2 ARG 19 2HD ARG 19 5.540 -16.948 2.194 168 HD3 ARG 19 1HD ARG 19 7.037 -16.438 2.968 169 HE ARG 19 HE ARG 19 6.687 -19.018 3.827 170 HH11 ARG 19 1HH2 ARG 19 6.763 -17.410 0.765 171 HH12 ARG 19 2HH2 ARG 19 7.413 -18.772 -0.088 172 HH21 ARG 19 1HH1 ARG 19 7.543 -20.804 2.717 173 HH22 ARG 19 2HH1 ARG 19 7.855 -20.692 1.017 174 H LYS 20 H LYS 20 5.014 -15.940 6.887 175 HA LYS 20 HA LYS 20 3.221 -13.604 6.592 176 HB2 LYS 20 2HB LYS 20 4.648 -14.529 9.093 177 HB3 LYS 20 1HB LYS 20 3.947 -12.920 8.901 178 HG2 LYS 20 2HG LYS 20 1.740 -13.915 8.482 179 HG3 LYS 20 1HG LYS 20 2.428 -15.533 8.640 180 HD2 LYS 20 2HD LYS 20 3.083 -15.034 10.964 181 HD3 LYS 20 1HD LYS 20 2.400 -13.412 10.809 182 HE2 LYS 20 2HE LYS 20 0.177 -14.368 10.394 183 HE3 LYS 20 1HE LYS 20 0.843 -15.998 10.502 184 HZ1 LYS 20 3HZ LYS 20 0.595 -15.910 12.683 185 HZ2 LYS 20 1HZ LYS 20 -0.029 -14.336 12.581 186 HZ3 LYS 20 2HZ LYS 20 1.643 -14.577 12.771 187 H ILE 21 H ILE 21 4.205 -11.775 5.988 188 HA ILE 21 HA ILE 21 7.138 -11.556 6.187 189 HB ILE 21 HB ILE 21 7.102 -10.635 3.811 190 HG12 ILE 21 2HG1 ILE 21 4.540 -12.236 3.636 191 HG13 ILE 21 1HG1 ILE 21 4.547 -10.486 3.834 192 HG21 ILE 21 1HG2 ILE 21 7.186 -12.915 2.818 193 HG22 ILE 21 2HG2 ILE 21 6.462 -13.564 4.291 194 HG23 ILE 21 3HG2 ILE 21 8.064 -12.825 4.346 195 HD11 ILE 21 3HD1 ILE 21 5.795 -10.201 1.773 196 HD12 ILE 21 1HD1 ILE 21 4.381 -11.204 1.442 197 HD13 ILE 21 2HD1 ILE 21 5.971 -11.949 1.596 198 H LYS 22 H LYS 22 7.860 -9.550 6.591 199 HA LYS 22 HA LYS 22 5.838 -7.462 7.024 200 HB2 LYS 22 2HB LYS 22 7.648 -8.161 8.753 201 HB3 LYS 22 1HB LYS 22 8.761 -7.237 7.743 202 HG2 LYS 22 2HG LYS 22 7.365 -5.241 7.980 203 HG3 LYS 22 1HG LYS 22 6.182 -6.155 8.914 204 HD2 LYS 22 2HD LYS 22 7.896 -6.605 10.637 205 HD3 LYS 22 1HD LYS 22 9.060 -5.655 9.714 206 HE2 LYS 22 2HE LYS 22 7.632 -3.667 9.924 207 HE3 LYS 22 1HE LYS 22 6.436 -4.611 10.815 208 HZ1 LYS 22 3HZ LYS 22 9.238 -4.449 11.727 209 HZ2 LYS 22 1HZ LYS 22 7.852 -4.855 12.618 210 HZ3 LYS 22 2HZ LYS 22 8.116 -3.245 12.140 211 H ILE 23 H ILE 23 5.475 -6.096 5.400 212 HA ILE 23 HA ILE 23 7.560 -5.612 3.387 213 HB ILE 23 HB ILE 23 4.623 -4.896 3.504 214 HG12 ILE 23 2HG1 ILE 23 4.547 -6.490 1.573 215 HG13 ILE 23 1HG1 ILE 23 6.253 -6.841 1.840 216 HG21 ILE 23 1HG2 ILE 23 5.643 -3.131 2.273 217 HG22 ILE 23 2HG2 ILE 23 5.076 -4.270 1.053 218 HG23 ILE 23 3HG2 ILE 23 6.782 -4.229 1.493 219 HD11 ILE 23 3HD1 ILE 23 4.345 -8.354 2.923 220 HD12 ILE 23 1HD1 ILE 23 4.390 -7.119 4.177 221 HD13 ILE 23 2HD1 ILE 23 5.848 -8.033 3.784 222 H THR 24 H THR 24 8.956 -4.065 3.958 223 HA THR 24 HA THR 24 7.878 -1.442 4.793 224 HB THR 24 HB THR 24 9.902 -1.250 6.319 225 HG1 THR 24 HG1 THR 24 10.350 -3.637 5.246 226 HG21 THR 24 3HG2 THR 24 7.751 -1.516 7.321 227 HG22 THR 24 1HG2 THR 24 8.799 -2.699 8.104 228 HG23 THR 24 2HG2 THR 24 7.667 -3.213 6.852 229 H PHE 25 H PHE 25 8.285 -0.360 2.942 230 HA PHE 25 HA PHE 25 11.039 0.248 2.328 231 HB2 PHE 25 2HB PHE 25 10.734 -1.853 1.061 232 HB3 PHE 25 1HB PHE 25 9.348 -1.142 0.235 233 HD1 PHE 25 HD1 PHE 25 13.015 -0.835 0.767 234 HD2 PHE 25 HD2 PHE 25 9.631 0.393 -1.578 235 HE1 PHE 25 HE1 PHE 25 14.538 0.223 -0.879 236 HE2 PHE 25 HE2 PHE 25 11.155 1.450 -3.226 237 HZ PHE 25 HZ PHE 25 13.609 1.363 -2.876 238 H ALA 26 H ALA 26 10.779 2.400 2.390 239 HA ALA 26 HA ALA 26 8.839 3.626 0.528 240 HB1 ALA 26 3HB ALA 26 7.854 3.723 2.777 241 HB2 ALA 26 1HB ALA 26 8.296 5.330 2.206 242 HB3 ALA 26 2HB ALA 26 9.312 4.503 3.386 243 H LEU 27 H LEU 27 9.451 5.654 -0.272 244 HA LEU 27 HA LEU 27 12.310 6.355 0.123 245 HB2 LEU 27 2HB LEU 27 10.663 6.772 -2.380 246 HB3 LEU 27 1HB LEU 27 12.400 7.022 -2.186 247 HG LEU 27 HG LEU 27 10.987 4.357 -1.869 248 HD11 LEU 27 1HD1 LEU 27 11.062 5.275 -4.214 249 HD12 LEU 27 2HD1 LEU 27 11.950 3.764 -4.005 250 HD13 LEU 27 3HD1 LEU 27 12.822 5.295 -4.091 251 HD21 LEU 27 3HD2 LEU 27 13.857 5.269 -1.609 252 HD22 LEU 27 1HD2 LEU 27 13.493 3.610 -2.090 253 HD23 LEU 27 2HD2 LEU 27 12.928 4.221 -0.536 254 H ASP 28 H ASP 28 9.896 7.346 1.554 255 HA ASP 28 HA ASP 28 10.420 10.198 1.127 256 HB2 ASP 28 2HB ASP 28 8.352 9.438 -0.207 257 HB3 ASP 28 1HB ASP 28 7.581 9.232 1.361 258 H ALA 29 H ALA 29 7.964 10.676 2.845 259 HA ALA 29 HA ALA 29 8.995 9.686 5.439 260 HB1 ALA 29 3HB ALA 29 9.794 11.951 5.233 261 HB2 ALA 29 1HB ALA 29 8.451 11.948 6.375 262 HB3 ALA 29 2HB ALA 29 8.205 12.519 4.725 263 H THR 30 H THR 30 6.299 11.687 4.205 264 HA THR 30 HA THR 30 4.418 10.834 6.099 265 HB THR 30 HB THR 30 4.196 12.818 4.568 266 HG1 THR 30 HG1 THR 30 2.426 11.720 5.716 267 HG21 THR 30 3HG2 THR 30 3.491 12.536 2.309 268 HG22 THR 30 1HG2 THR 30 3.216 10.808 2.537 269 HG23 THR 30 2HG2 THR 30 4.861 11.445 2.517 270 H PHE 31 H PHE 31 5.187 9.581 2.875 271 HA PHE 31 HA PHE 31 3.149 7.608 2.836 272 HB2 PHE 31 2HB PHE 31 4.119 8.328 0.756 273 HB3 PHE 31 1HB PHE 31 5.732 7.850 1.289 274 HD1 PHE 31 HD1 PHE 31 2.296 6.347 1.024 275 HD2 PHE 31 HD2 PHE 31 6.531 5.795 0.517 276 HE1 PHE 31 HE1 PHE 31 1.892 4.052 0.170 277 HE2 PHE 31 HE2 PHE 31 6.123 3.497 -0.336 278 HZ PHE 31 HZ PHE 31 3.806 2.627 -0.509 279 H ASP 32 H ASP 32 6.240 7.817 4.317 280 HA ASP 32 HA ASP 32 6.671 4.976 4.596 281 HB2 ASP 32 2HB ASP 32 7.953 7.167 6.226 282 HB3 ASP 32 1HB ASP 32 8.576 5.550 5.902 283 H SER 33 H SER 33 5.528 7.587 6.707 284 HA SER 33 HA SER 33 5.219 6.035 9.043 285 HB2 SER 33 2HB SER 33 3.718 8.510 8.166 286 HB3 SER 33 1HB SER 33 3.719 7.845 9.797 287 HG SER 33 HG SER 33 6.230 8.105 8.834 288 H VAL 34 H VAL 34 2.918 6.886 6.460 289 HA VAL 34 HA VAL 34 0.699 5.544 7.623 290 HB VAL 34 HB VAL 34 -0.331 5.717 5.412 291 HG11 VAL 34 1HG1 VAL 34 0.144 8.203 5.036 292 HG12 VAL 34 2HG1 VAL 34 1.345 8.071 6.320 293 HG13 VAL 34 3HG1 VAL 34 -0.353 7.760 6.667 294 HG21 VAL 34 3HG2 VAL 34 2.501 6.328 4.604 295 HG22 VAL 34 1HG2 VAL 34 1.130 6.744 3.585 296 HG23 VAL 34 2HG2 VAL 34 1.462 5.056 3.974 297 H LEU 35 H LEU 35 3.222 4.501 5.332 298 HA LEU 35 HA LEU 35 2.063 2.008 4.729 299 HB2 LEU 35 2HB LEU 35 4.181 3.269 3.763 300 HB3 LEU 35 1HB LEU 35 5.044 2.285 4.929 301 HG LEU 35 HG LEU 35 5.005 1.123 2.816 302 HD11 LEU 35 1HD1 LEU 35 4.540 -0.116 5.035 303 HD12 LEU 35 2HD1 LEU 35 4.163 -0.967 3.536 304 HD13 LEU 35 3HD1 LEU 35 2.871 -0.218 4.467 305 HD21 LEU 35 3HD2 LEU 35 2.671 2.414 2.267 306 HD22 LEU 35 1HD2 LEU 35 2.032 0.846 2.749 307 HD23 LEU 35 2HD2 LEU 35 3.176 0.958 1.416 308 H SER 36 H SER 36 4.518 2.832 7.172 309 HA SER 36 HA SER 36 4.762 0.238 8.231 310 HB2 SER 36 2HB SER 36 6.386 2.043 8.649 311 HB3 SER 36 1HB SER 36 5.184 2.892 9.617 312 HG SER 36 HG SER 36 6.803 0.838 10.290 313 H LYS 37 H LYS 37 2.737 2.977 9.221 314 HA LYS 37 HA LYS 37 1.579 1.694 11.471 315 HB2 LYS 37 2HB LYS 37 0.674 4.017 9.767 316 HB3 LYS 37 1HB LYS 37 -0.194 3.480 11.205 317 HG2 LYS 37 2HG LYS 37 1.823 3.822 12.571 318 HG3 LYS 37 1HG LYS 37 2.714 4.340 11.140 319 HD2 LYS 37 2HD LYS 37 1.177 6.231 10.841 320 HD3 LYS 37 1HD LYS 37 0.235 5.703 12.236 321 HE2 LYS 37 2HE LYS 37 1.759 7.485 12.921 322 HE3 LYS 37 1HE LYS 37 2.266 5.966 13.661 323 HZ1 LYS 37 3HZ LYS 37 3.639 7.617 11.769 324 HZ2 LYS 37 1HZ LYS 37 3.553 6.001 11.259 325 HZ3 LYS 37 2HZ LYS 37 4.244 6.381 12.767 326 H ALA 38 H ALA 38 0.499 2.050 8.111 327 HA ALA 38 HA ALA 38 -1.986 0.737 8.461 328 HB1 ALA 38 3HB ALA 38 -1.448 2.241 6.551 329 HB2 ALA 38 1HB ALA 38 -2.081 0.677 6.035 330 HB3 ALA 38 2HB ALA 38 -0.354 1.012 5.924 331 H CYS 39 H CYS 39 0.391 -0.532 6.202 332 HA CYS 39 HA CYS 39 -0.255 -3.250 7.072 333 HB2 CYS 39 2HB CYS 39 -0.278 -2.995 4.718 334 HB3 CYS 39 1HB CYS 39 1.248 -2.119 4.707 335 HG CYS 39 HG CYS 39 2.243 -4.363 4.303 336 H SER 40 H SER 40 0.825 -3.022 9.158 337 HA SER 40 HA SER 40 3.709 -2.707 9.195 338 HB2 SER 40 2HB SER 40 3.526 -2.943 11.571 339 HB3 SER 40 1HB SER 40 2.168 -1.950 11.055 340 HG SER 40 HG SER 40 2.033 -4.117 12.449 341 H GLU 41 H GLU 41 1.590 -5.212 8.490 342 HA GLU 41 HA GLU 41 3.664 -7.140 8.272 343 HB2 GLU 41 2HB GLU 41 3.366 -7.164 10.754 344 HB3 GLU 41 1HB GLU 41 1.689 -7.649 10.508 345 HG2 GLU 41 2HG GLU 41 2.431 -9.661 9.306 346 HG3 GLU 41 1HG GLU 41 4.113 -9.172 9.518 347 H PHE 42 H PHE 42 3.066 -8.476 6.672 348 HA PHE 42 HA PHE 42 0.166 -8.709 6.078 349 HB2 PHE 42 2HB PHE 42 2.052 -7.722 4.427 350 HB3 PHE 42 1HB PHE 42 2.231 -9.431 4.030 351 HD1 PHE 42 HD1 PHE 42 -0.466 -6.896 4.617 352 HD2 PHE 42 HD2 PHE 42 0.830 -10.314 2.367 353 HE1 PHE 42 HE1 PHE 42 -2.522 -6.765 3.239 354 HE2 PHE 42 HE2 PHE 42 -1.233 -10.181 0.991 355 HZ PHE 42 HZ PHE 42 -2.904 -8.409 1.426 356 H GLU 43 H GLU 43 -0.753 -10.679 5.846 357 HA GLU 43 HA GLU 43 0.960 -13.057 6.322 358 HB2 GLU 43 2HB GLU 43 -0.458 -12.556 8.258 359 HB3 GLU 43 1HB GLU 43 -1.889 -12.578 7.228 360 HG2 GLU 43 2HG GLU 43 -0.024 -14.949 7.329 361 HG3 GLU 43 1HG GLU 43 -1.286 -14.745 8.542 362 H VAL 44 H VAL 44 1.096 -14.250 4.558 363 HA VAL 44 HA VAL 44 -1.343 -14.768 2.974 364 HB VAL 44 HB VAL 44 0.223 -14.647 0.913 365 HG11 VAL 44 1HG1 VAL 44 -0.177 -12.211 0.705 366 HG12 VAL 44 2HG1 VAL 44 -0.597 -12.148 2.416 367 HG13 VAL 44 3HG1 VAL 44 -1.602 -13.065 1.295 368 HG21 VAL 44 3HG2 VAL 44 2.264 -14.410 2.454 369 HG22 VAL 44 1HG2 VAL 44 1.728 -12.751 2.727 370 HG23 VAL 44 2HG2 VAL 44 2.166 -13.280 1.103 371 H ASP 45 H ASP 45 -1.264 -16.715 1.742 372 HA ASP 45 HA ASP 45 0.349 -18.785 3.010 373 HB2 ASP 45 2HB ASP 45 -1.875 -18.895 0.962 374 HB3 ASP 45 1HB ASP 45 -1.041 -20.312 1.598 375 H LYS 46 H LYS 46 1.192 -20.541 1.455 376 HA LYS 46 HA LYS 46 3.256 -19.443 -0.118 377 HB2 LYS 46 2HB LYS 46 2.065 -22.218 -0.053 378 HB3 LYS 46 1HB LYS 46 3.516 -21.797 -0.966 379 HG2 LYS 46 2HG LYS 46 4.621 -21.046 1.087 380 HG3 LYS 46 1HG LYS 46 3.164 -21.395 2.017 381 HD2 LYS 46 2HD LYS 46 3.334 -23.784 1.325 382 HD3 LYS 46 1HD LYS 46 4.848 -23.409 0.499 383 HE2 LYS 46 2HE LYS 46 4.357 -22.918 3.450 384 HE3 LYS 46 1HE LYS 46 5.180 -24.339 2.806 385 HZ1 LYS 46 3HZ LYS 46 6.051 -21.524 2.787 386 HZ2 LYS 46 1HZ LYS 46 6.638 -22.602 1.615 387 HZ3 LYS 46 2HZ LYS 46 6.912 -22.912 3.264 388 H ASP 47 H ASP 47 0.416 -21.308 -1.226 389 HA ASP 47 HA ASP 47 0.528 -21.217 -3.892 390 HB2 ASP 47 2HB ASP 47 -1.857 -20.484 -2.189 391 HB3 ASP 47 1HB ASP 47 -1.961 -20.757 -3.926 392 H VAL 48 H VAL 48 -0.069 -18.418 -1.849 393 HA VAL 48 HA VAL 48 -0.799 -16.555 -3.826 394 HB VAL 48 HB VAL 48 0.842 -15.986 -1.345 395 HG11 VAL 48 1HG1 VAL 48 -1.211 -14.286 -2.779 396 HG12 VAL 48 2HG1 VAL 48 0.526 -14.154 -3.058 397 HG13 VAL 48 3HG1 VAL 48 -0.142 -13.791 -1.467 398 HG21 VAL 48 3HG2 VAL 48 -2.117 -16.477 -1.734 399 HG22 VAL 48 1HG2 VAL 48 -1.496 -15.567 -0.358 400 HG23 VAL 48 2HG2 VAL 48 -1.030 -17.253 -0.582 401 H THR 49 H THR 49 0.331 -15.481 -5.331 402 HA THR 49 HA THR 49 3.249 -15.976 -5.504 403 HB THR 49 HB THR 49 3.048 -15.693 -7.856 404 HG1 THR 49 HG1 THR 49 1.034 -14.997 -8.748 405 HG21 THR 49 3HG2 THR 49 2.103 -17.821 -6.876 406 HG22 THR 49 1HG2 THR 49 1.462 -17.399 -8.464 407 HG23 THR 49 2HG2 THR 49 0.501 -17.097 -7.016 408 H LEU 50 H LEU 50 4.649 -14.296 -5.863 409 HA LEU 50 HA LEU 50 4.457 -11.940 -4.554 410 HB2 LEU 50 2HB LEU 50 6.022 -10.967 -6.322 411 HB3 LEU 50 1HB LEU 50 6.549 -12.449 -5.530 412 HG LEU 50 HG LEU 50 4.895 -12.931 -7.958 413 HD11 LEU 50 1HD1 LEU 50 6.907 -12.448 -9.460 414 HD12 LEU 50 2HD1 LEU 50 7.511 -11.447 -8.138 415 HD13 LEU 50 3HD1 LEU 50 5.975 -11.057 -8.907 416 HD21 LEU 50 3HD2 LEU 50 6.492 -14.671 -8.340 417 HD22 LEU 50 1HD2 LEU 50 6.250 -14.621 -6.596 418 HD23 LEU 50 2HD2 LEU 50 7.693 -13.897 -7.306 419 H ASP 51 H ASP 51 3.132 -12.621 -7.751 420 HA ASP 51 HA ASP 51 2.438 -10.002 -8.506 421 HB2 ASP 51 2HB ASP 51 2.365 -11.906 -10.061 422 HB3 ASP 51 1HB ASP 51 1.039 -12.617 -9.143 423 H GLU 52 H GLU 52 0.490 -12.507 -6.871 424 HA GLU 52 HA GLU 52 -1.781 -10.881 -6.461 425 HB2 GLU 52 2HB GLU 52 -1.845 -13.341 -6.295 426 HB3 GLU 52 1HB GLU 52 -0.839 -13.264 -4.850 427 HG2 GLU 52 2HG GLU 52 -2.556 -11.985 -3.674 428 HG3 GLU 52 1HG GLU 52 -3.551 -11.932 -5.128 429 H LEU 53 H LEU 53 1.164 -11.408 -4.623 430 HA LEU 53 HA LEU 53 0.372 -10.175 -2.221 431 HB2 LEU 53 2HB LEU 53 2.407 -11.543 -2.421 432 HB3 LEU 53 1HB LEU 53 3.134 -10.306 -3.445 433 HG LEU 53 HG LEU 53 2.871 -8.659 -1.564 434 HD11 LEU 53 1HD1 LEU 53 2.567 -9.897 0.745 435 HD12 LEU 53 2HD1 LEU 53 1.718 -11.099 -0.228 436 HD13 LEU 53 3HD1 LEU 53 1.148 -9.431 -0.188 437 HD21 LEU 53 3HD2 LEU 53 4.431 -11.173 -0.903 438 HD22 LEU 53 1HD2 LEU 53 4.707 -9.575 -0.204 439 HD23 LEU 53 2HD2 LEU 53 4.991 -9.848 -1.922 440 H LEU 54 H LEU 54 1.789 -8.900 -5.181 441 HA LEU 54 HA LEU 54 2.174 -6.253 -4.216 442 HB2 LEU 54 2HB LEU 54 3.380 -7.135 -6.136 443 HB3 LEU 54 1HB LEU 54 1.874 -7.257 -7.044 444 HG LEU 54 HG LEU 54 2.336 -4.563 -5.859 445 HD11 LEU 54 1HD1 LEU 54 4.659 -5.158 -6.433 446 HD12 LEU 54 2HD1 LEU 54 4.038 -3.891 -7.488 447 HD13 LEU 54 3HD1 LEU 54 4.151 -5.551 -8.074 448 HD21 LEU 54 3HD2 LEU 54 1.492 -3.823 -7.992 449 HD22 LEU 54 1HD2 LEU 54 0.544 -5.239 -7.537 450 HD23 LEU 54 2HD2 LEU 54 1.829 -5.386 -8.735 451 H ASP 55 H ASP 55 -0.450 -7.872 -5.926 452 HA ASP 55 HA ASP 55 -1.993 -5.528 -6.413 453 HB2 ASP 55 2HB ASP 55 -2.308 -7.605 -7.676 454 HB3 ASP 55 1HB ASP 55 -2.872 -8.412 -6.215 455 H VAL 56 H VAL 56 -2.166 -8.025 -3.901 456 HA VAL 56 HA VAL 56 -4.409 -6.879 -2.554 457 HB VAL 56 HB VAL 56 -3.865 -8.447 -0.749 458 HG11 VAL 56 1HG1 VAL 56 -5.084 -9.455 -2.515 459 HG12 VAL 56 2HG1 VAL 56 -3.729 -10.550 -2.246 460 HG13 VAL 56 3HG1 VAL 56 -3.696 -9.426 -3.603 461 HG21 VAL 56 3HG2 VAL 56 -1.529 -8.425 -0.534 462 HG22 VAL 56 1HG2 VAL 56 -1.275 -8.589 -2.265 463 HG23 VAL 56 2HG2 VAL 56 -1.800 -9.979 -1.323 464 H VAL 57 H VAL 57 -0.917 -6.871 -1.806 465 HA VAL 57 HA VAL 57 -1.051 -5.357 0.531 466 HB VAL 57 HB VAL 57 0.979 -6.557 -0.429 467 HG11 VAL 57 1HG1 VAL 57 1.423 -3.967 -1.917 468 HG12 VAL 57 2HG1 VAL 57 0.692 -5.376 -2.676 469 HG13 VAL 57 3HG1 VAL 57 2.334 -5.474 -2.045 470 HG21 VAL 57 3HG2 VAL 57 1.055 -4.980 1.518 471 HG22 VAL 57 1HG2 VAL 57 1.426 -3.674 0.392 472 HG23 VAL 57 2HG2 VAL 57 2.553 -5.014 0.588 473 H LEU 58 H LEU 58 -0.695 -4.286 -2.866 474 HA LEU 58 HA LEU 58 -0.475 -1.547 -2.287 475 HB2 LEU 58 2HB LEU 58 0.042 -2.470 -4.496 476 HB3 LEU 58 1HB LEU 58 -1.645 -2.930 -4.717 477 HG LEU 58 HG LEU 58 -2.324 -0.568 -4.636 478 HD11 LEU 58 1HD1 LEU 58 -0.276 1.096 -4.803 479 HD12 LEU 58 2HD1 LEU 58 0.584 -0.191 -3.954 480 HD13 LEU 58 3HD1 LEU 58 -0.839 0.551 -3.225 481 HD21 LEU 58 3HD2 LEU 58 0.016 -0.892 -6.539 482 HD22 LEU 58 1HD2 LEU 58 -1.420 0.106 -6.767 483 HD23 LEU 58 2HD2 LEU 58 -1.557 -1.651 -6.793 484 H ASP 59 H ASP 59 -3.318 -3.431 -3.269 485 HA ASP 59 HA ASP 59 -5.239 -1.438 -3.079 486 HB2 ASP 59 2HB ASP 59 -5.332 -4.416 -2.682 487 HB3 ASP 59 1HB ASP 59 -6.777 -3.457 -2.382 488 H ALA 60 H ALA 60 -3.885 -3.488 -0.542 489 HA ALA 60 HA ALA 60 -5.578 -2.743 1.562 490 HB1 ALA 60 3HB ALA 60 -3.737 -4.558 1.500 491 HB2 ALA 60 1HB ALA 60 -3.969 -3.678 3.011 492 HB3 ALA 60 2HB ALA 60 -2.629 -3.259 1.944 493 H VAL 61 H VAL 61 -2.419 -1.374 0.615 494 HA VAL 61 HA VAL 61 -2.428 0.697 2.543 495 HB VAL 61 HB VAL 61 -1.027 0.568 -0.137 496 HG11 VAL 61 1HG1 VAL 61 -0.900 2.822 0.537 497 HG12 VAL 61 2HG1 VAL 61 0.585 2.129 1.177 498 HG13 VAL 61 3HG1 VAL 61 -0.791 2.408 2.247 499 HG21 VAL 61 3HG2 VAL 61 -0.536 -1.316 1.422 500 HG22 VAL 61 1HG2 VAL 61 -0.060 -0.145 2.648 501 HG23 VAL 61 2HG2 VAL 61 0.862 -0.282 1.149 502 H GLU 62 H GLU 62 -3.354 0.666 -0.895 503 HA GLU 62 HA GLU 62 -4.012 3.354 -1.188 504 HB2 GLU 62 2HB GLU 62 -3.905 1.720 -3.050 505 HB3 GLU 62 1HB GLU 62 -5.404 0.994 -2.471 506 HG2 GLU 62 2HG GLU 62 -6.579 3.137 -2.782 507 HG3 GLU 62 1HG GLU 62 -5.081 3.886 -3.331 508 H SER 63 H SER 63 -6.036 0.643 -0.095 509 HA SER 63 HA SER 63 -8.429 2.105 0.203 510 HB2 SER 63 2HB SER 63 -9.121 0.255 1.687 511 HB3 SER 63 1HB SER 63 -8.384 -0.339 0.200 512 HG SER 63 HG SER 63 -6.946 0.088 2.607 513 H THR 64 H THR 64 -5.840 1.341 2.534 514 HA THR 64 HA THR 64 -6.962 2.424 4.823 515 HB THR 64 HB THR 64 -4.069 2.483 3.934 516 HG1 THR 64 HG1 THR 64 -4.556 0.418 4.127 517 HG21 THR 64 3HG2 THR 64 -5.412 3.098 6.560 518 HG22 THR 64 1HG2 THR 64 -4.161 4.013 5.718 519 HG23 THR 64 2HG2 THR 64 -3.760 2.488 6.509 520 H LEU 65 H LEU 65 -4.883 4.086 2.448 521 HA LEU 65 HA LEU 65 -5.815 6.689 3.524 522 HB2 LEU 65 2HB LEU 65 -3.720 7.416 2.001 523 HB3 LEU 65 1HB LEU 65 -3.518 6.882 3.665 524 HG LEU 65 HG LEU 65 -3.149 4.551 2.821 525 HD11 LEU 65 1HD1 LEU 65 -2.618 4.347 0.380 526 HD12 LEU 65 2HD1 LEU 65 -3.231 5.982 0.150 527 HD13 LEU 65 3HD1 LEU 65 -4.313 4.701 0.692 528 HD21 LEU 65 3HD2 LEU 65 -0.883 4.956 2.070 529 HD22 LEU 65 1HD2 LEU 65 -1.287 6.145 3.308 530 HD23 LEU 65 2HD2 LEU 65 -1.291 6.607 1.605 531 H SER 66 H SER 66 -7.801 6.060 2.211 532 HA SER 66 HA SER 66 -7.600 6.275 -0.656 533 HB2 SER 66 2HB SER 66 -9.569 5.452 1.214 534 HB3 SER 66 1HB SER 66 -10.280 6.770 0.286 535 HG SER 66 HG SER 66 -9.621 4.232 -0.465 536 HA PRO 67 HA PRO 67 -9.338 10.631 0.166 537 HB2 PRO 67 2HB PRO 67 -9.480 11.585 2.717 538 HB3 PRO 67 1HB PRO 67 -10.743 10.566 2.007 539 HG2 PRO 67 2HG PRO 67 -8.631 9.861 3.972 540 HG3 PRO 67 1HG PRO 67 -10.272 9.217 3.797 541 HD2 PRO 67 2HD PRO 67 -7.910 7.985 2.886 542 HD3 PRO 67 1HD PRO 67 -9.559 7.530 2.408 543 H CYS 68 H CYS 68 -7.226 10.962 -0.820 544 HA CYS 68 HA CYS 68 -5.434 12.567 0.905 545 HB2 CYS 68 2HB CYS 68 -4.519 10.563 -1.178 546 HB3 CYS 68 1HB CYS 68 -3.482 11.602 -0.200 547 HG CYS 68 HG CYS 68 -5.266 9.346 1.044 548 H LYS 69 H LYS 69 -7.283 12.283 -1.890 549 HA LYS 69 HA LYS 69 -5.833 13.798 -3.762 550 HB2 LYS 69 2HB LYS 69 -7.873 12.493 -4.292 551 HB3 LYS 69 1HB LYS 69 -8.836 13.692 -3.428 552 HG2 LYS 69 2HG LYS 69 -8.073 15.449 -4.960 553 HG3 LYS 69 1HG LYS 69 -7.040 14.292 -5.798 554 HD2 LYS 69 2HD LYS 69 -9.024 12.971 -6.431 555 HD3 LYS 69 1HD LYS 69 -10.061 14.129 -5.593 556 HE2 LYS 69 2HE LYS 69 -10.122 14.786 -7.880 557 HE3 LYS 69 1HE LYS 69 -9.020 15.922 -7.102 558 HZ1 LYS 69 3HZ LYS 69 -8.383 14.633 -9.299 559 HZ2 LYS 69 1HZ LYS 69 -7.876 13.461 -8.181 560 HZ3 LYS 69 2HZ LYS 69 -7.223 15.030 -8.121 561 H GLU 70 H GLU 70 -7.648 14.735 -0.945 562 HA GLU 70 HA GLU 70 -7.996 17.487 -1.654 563 HB2 GLU 70 2HB GLU 70 -8.072 16.042 1.001 564 HB3 GLU 70 1HB GLU 70 -8.460 17.750 0.806 565 HG2 GLU 70 2HG GLU 70 -10.259 17.201 -0.752 566 HG3 GLU 70 1HG GLU 70 -9.842 15.489 -0.666 567 H HIS 71 H HIS 71 -5.526 15.661 0.092 568 HA HIS 71 HA HIS 71 -4.057 17.998 0.916 569 HB2 HIS 71 2HB HIS 71 -3.357 15.069 0.872 570 HB3 HIS 71 1HB HIS 71 -2.307 16.323 1.535 571 HD1 HIS 71 HD1 HIS 71 -5.677 14.692 2.095 572 HD2 HIS 71 HD2 HIS 71 -3.056 17.258 4.080 573 HE1 HIS 71 HE1 HIS 71 -6.569 14.948 4.452 574 H ASP 72 H ASP 72 -2.680 19.161 -0.223 575 HA ASP 72 HA ASP 72 -2.157 18.618 -2.953 576 HB2 ASP 72 2HB ASP 72 -0.918 20.524 -0.967 577 HB3 ASP 72 1HB ASP 72 -0.406 20.453 -2.651 578 H VAL 73 H VAL 73 -0.199 18.221 -0.019 579 HA VAL 73 HA VAL 73 2.154 17.331 -1.304 580 HB VAL 73 HB VAL 73 1.100 16.793 1.482 581 HG11 VAL 73 1HG1 VAL 73 2.705 15.079 1.037 582 HG12 VAL 73 2HG1 VAL 73 3.581 16.330 1.922 583 HG13 VAL 73 3HG1 VAL 73 3.762 16.196 0.173 584 HG21 VAL 73 3HG2 VAL 73 1.611 19.183 0.735 585 HG22 VAL 73 1HG2 VAL 73 3.291 18.673 0.571 586 HG23 VAL 73 2HG2 VAL 73 2.501 18.616 2.148 587 H ILE 74 H ILE 74 -0.620 15.585 0.061 588 HA ILE 74 HA ILE 74 0.405 13.077 -1.113 589 HB ILE 74 HB ILE 74 -1.983 13.204 0.713 590 HG12 ILE 74 2HG1 ILE 74 0.930 13.297 1.569 591 HG13 ILE 74 1HG1 ILE 74 -0.269 14.561 1.840 592 HG21 ILE 74 1HG2 ILE 74 -1.346 10.972 1.243 593 HG22 ILE 74 2HG2 ILE 74 0.272 11.191 0.577 594 HG23 ILE 74 3HG2 ILE 74 -1.122 11.107 -0.501 595 HD11 ILE 74 3HD1 ILE 74 -0.163 13.319 3.876 596 HD12 ILE 74 1HD1 ILE 74 -0.218 11.778 3.018 597 HD13 ILE 74 2HD1 ILE 74 -1.648 12.810 3.073 598 H GLY 75 H GLY 75 -1.094 15.439 -2.390 599 HA2 GLY 75 2HA GLY 75 -3.631 14.353 -3.224 600 HA3 GLY 75 1HA GLY 75 -2.831 15.762 -3.907 601 H THR 76 H THR 76 -0.679 15.072 -5.078 602 HA THR 76 HA THR 76 -1.386 13.663 -7.388 603 HB THR 76 HB THR 76 0.469 14.979 -7.800 604 HG1 THR 76 HG1 THR 76 1.766 13.505 -8.496 605 HG21 THR 76 3HG2 THR 76 1.331 14.190 -5.015 606 HG22 THR 76 1HG2 THR 76 0.917 15.794 -5.620 607 HG23 THR 76 2HG2 THR 76 2.422 15.025 -6.119 608 H LYS 77 H LYS 77 -0.751 12.466 -4.311 609 HA LYS 77 HA LYS 77 0.660 10.113 -4.825 610 HB2 LYS 77 2HB LYS 77 0.187 10.966 -2.558 611 HB3 LYS 77 1HB LYS 77 -1.513 10.569 -2.779 612 HG2 LYS 77 2HG LYS 77 -0.435 8.800 -1.506 613 HG3 LYS 77 1HG LYS 77 -0.891 8.179 -3.090 614 HD2 LYS 77 2HD LYS 77 1.333 8.183 -3.872 615 HD3 LYS 77 1HD LYS 77 1.867 9.319 -2.633 616 HE2 LYS 77 2HE LYS 77 1.602 7.611 -0.918 617 HE3 LYS 77 1HE LYS 77 0.930 6.488 -2.100 618 HZ1 LYS 77 3HZ LYS 77 3.331 6.164 -1.626 619 HZ2 LYS 77 1HZ LYS 77 3.635 7.684 -2.312 620 HZ3 LYS 77 2HZ LYS 77 2.983 6.437 -3.265 621 H VAL 78 H VAL 78 -2.869 10.629 -4.656 622 HA VAL 78 HA VAL 78 -3.649 8.028 -5.280 623 HB VAL 78 HB VAL 78 -4.983 10.667 -5.934 624 HG11 VAL 78 1HG1 VAL 78 -6.001 9.027 -7.337 625 HG12 VAL 78 2HG1 VAL 78 -7.069 9.198 -5.940 626 HG13 VAL 78 3HG1 VAL 78 -5.979 7.815 -6.053 627 HG21 VAL 78 3HG2 VAL 78 -6.305 10.180 -3.904 628 HG22 VAL 78 1HG2 VAL 78 -4.586 10.282 -3.528 629 HG23 VAL 78 2HG2 VAL 78 -5.371 8.705 -3.648 630 H CYS 79 H CYS 79 -3.118 10.803 -7.451 631 HA CYS 79 HA CYS 79 -3.733 9.520 -9.864 632 HB2 CYS 79 2HB CYS 79 -1.725 11.719 -9.315 633 HB3 CYS 79 1HB CYS 79 -2.309 11.260 -10.915 634 HG CYS 79 HG CYS 79 -4.478 12.058 -8.855 635 H ALA 80 H ALA 80 -0.802 9.525 -7.915 636 HA ALA 80 HA ALA 80 0.915 8.334 -9.831 637 HB1 ALA 80 3HB ALA 80 1.141 7.945 -6.849 638 HB2 ALA 80 1HB ALA 80 1.546 9.477 -7.622 639 HB3 ALA 80 2HB ALA 80 2.433 8.012 -8.047 640 H LEU 81 H LEU 81 -1.198 6.978 -7.315 641 HA LEU 81 HA LEU 81 -0.393 4.289 -7.635 642 HB2 LEU 81 2HB LEU 81 -2.769 5.686 -6.475 643 HB3 LEU 81 1HB LEU 81 -2.928 3.960 -6.789 644 HG LEU 81 HG LEU 81 -0.794 3.623 -5.472 645 HD11 LEU 81 1HD1 LEU 81 -1.286 6.508 -4.700 646 HD12 LEU 81 2HD1 LEU 81 0.040 5.949 -5.720 647 HD13 LEU 81 3HD1 LEU 81 -0.045 5.450 -4.031 648 HD21 LEU 81 3HD2 LEU 81 -1.901 3.781 -3.331 649 HD22 LEU 81 1HD2 LEU 81 -3.120 3.363 -4.532 650 HD23 LEU 81 2HD2 LEU 81 -3.003 5.019 -3.933 651 H LEU 82 H LEU 82 -2.994 6.148 -9.184 652 HA LEU 82 HA LEU 82 -4.017 3.979 -10.704 653 HB2 LEU 82 2HB LEU 82 -4.182 6.963 -10.839 654 HB3 LEU 82 1HB LEU 82 -4.748 6.038 -12.228 655 HG LEU 82 HG LEU 82 -6.530 6.556 -10.511 656 HD11 LEU 82 1HD1 LEU 82 -7.644 4.605 -10.992 657 HD12 LEU 82 2HD1 LEU 82 -6.310 3.576 -10.474 658 HD13 LEU 82 3HD1 LEU 82 -6.270 4.337 -12.064 659 HD21 LEU 82 3HD2 LEU 82 -4.831 6.145 -8.585 660 HD22 LEU 82 1HD2 LEU 82 -5.230 4.442 -8.788 661 HD23 LEU 82 2HD2 LEU 82 -6.485 5.599 -8.351 662 H ASP 83 H ASP 83 -1.603 6.461 -11.445 663 HA ASP 83 HA ASP 83 -1.142 5.681 -14.108 664 HB2 ASP 83 2HB ASP 83 -0.381 7.828 -13.195 665 HB3 ASP 83 1HB ASP 83 0.753 6.982 -12.139 666 H ARG 84 H ARG 84 0.400 4.720 -11.061 667 HA ARG 84 HA ARG 84 2.328 3.025 -12.261 668 HB2 ARG 84 2HB ARG 84 1.201 3.174 -9.465 669 HB3 ARG 84 1HB ARG 84 2.473 2.041 -9.924 670 HG2 ARG 84 2HG ARG 84 3.912 3.883 -10.627 671 HG3 ARG 84 1HG ARG 84 2.631 5.045 -10.288 672 HD2 ARG 84 2HD ARG 84 2.668 4.401 -7.911 673 HD3 ARG 84 1HD ARG 84 3.940 3.231 -8.244 674 HE ARG 84 HE ARG 84 4.891 5.665 -9.173 675 HH11 ARG 84 1HH2 ARG 84 3.763 4.305 -6.198 676 HH12 ARG 84 2HH2 ARG 84 4.765 5.307 -5.201 677 HH21 ARG 84 1HH1 ARG 84 6.208 6.980 -7.870 678 HH22 ARG 84 2HH1 ARG 84 6.150 6.821 -6.149 679 H LEU 85 H LEU 85 -0.886 2.467 -10.908 680 HA LEU 85 HA LEU 85 -0.853 -0.350 -11.161 681 HB2 LEU 85 2HB LEU 85 -2.452 0.808 -9.697 682 HB3 LEU 85 1HB LEU 85 -3.213 1.555 -11.100 683 HG LEU 85 HG LEU 85 -3.851 -0.666 -11.960 684 HD11 LEU 85 1HD1 LEU 85 -2.243 -2.206 -11.274 685 HD12 LEU 85 2HD1 LEU 85 -3.546 -2.579 -10.145 686 HD13 LEU 85 3HD1 LEU 85 -2.187 -1.581 -9.625 687 HD21 LEU 85 3HD2 LEU 85 -5.462 -1.275 -10.169 688 HD22 LEU 85 1HD2 LEU 85 -5.422 0.460 -10.478 689 HD23 LEU 85 2HD2 LEU 85 -4.606 -0.203 -9.062 690 H ALA 86 H ALA 86 -1.267 2.207 -13.430 691 HA ALA 86 HA ALA 86 -2.911 1.021 -15.349 692 HB1 ALA 86 3HB ALA 86 -1.948 3.405 -15.268 693 HB2 ALA 86 1HB ALA 86 -2.086 2.644 -16.853 694 HB3 ALA 86 2HB ALA 86 -0.521 2.720 -16.044 695 H GLY 87 H GLY 87 0.523 0.599 -14.694 696 HA2 GLY 87 2HA GLY 87 0.575 -1.936 -16.010 697 HA3 GLY 87 1HA GLY 87 1.375 -0.703 -16.979 698 H ASP 88 H ASP 88 2.888 0.743 -15.547 699 HA ASP 88 HA ASP 88 4.873 -1.049 -14.442 700 HB2 ASP 88 2HB ASP 88 5.521 0.894 -15.820 701 HB3 ASP 88 1HB ASP 88 4.847 1.973 -14.598 702 H TYR 89 H TYR 89 4.901 -1.690 -12.401 703 HA TYR 89 HA TYR 89 3.757 0.076 -10.301 704 HB2 TYR 89 2HB TYR 89 3.532 -2.399 -9.183 705 HB3 TYR 89 1HB TYR 89 2.256 -1.651 -10.134 706 HD1 TYR 89 HD1 TYR 89 5.517 -3.070 -11.357 707 HD2 TYR 89 HD2 TYR 89 1.240 -3.459 -11.231 708 HE1 TYR 89 HE1 TYR 89 5.639 -4.882 -13.023 709 HE2 TYR 89 HE2 TYR 89 1.369 -5.273 -12.914 710 HH TYR 89 HH TYR 89 2.700 -6.531 -14.155 711 H VAL 90 H VAL 90 5.248 -2.903 -9.442 712 HA VAL 90 HA VAL 90 7.819 -1.631 -8.826 713 HB VAL 90 HB VAL 90 6.301 -3.134 -6.696 714 HG11 VAL 90 1HG1 VAL 90 7.924 -2.137 -5.234 715 HG12 VAL 90 2HG1 VAL 90 8.483 -1.048 -6.504 716 HG13 VAL 90 3HG1 VAL 90 8.816 -2.776 -6.617 717 HG21 VAL 90 3HG2 VAL 90 4.913 -1.212 -7.284 718 HG22 VAL 90 1HG2 VAL 90 6.321 -0.148 -7.253 719 HG23 VAL 90 2HG2 VAL 90 5.735 -0.882 -5.759 720 H TYR 91 H TYR 91 9.505 -3.047 -8.785 721 HA TYR 91 HA TYR 91 8.957 -5.773 -9.727 722 HB2 TYR 91 2HB TYR 91 11.497 -4.141 -9.537 723 HB3 TYR 91 1HB TYR 91 11.439 -5.815 -10.093 724 HD1 TYR 91 HD1 TYR 91 10.190 -2.378 -10.781 725 HD2 TYR 91 HD2 TYR 91 10.702 -6.364 -12.287 726 HE1 TYR 91 HE1 TYR 91 9.532 -1.607 -13.045 727 HE2 TYR 91 HE2 TYR 91 10.045 -5.596 -14.552 728 HH TYR 91 HH TYR 91 9.070 -2.217 -15.131 729 H LEU 92 H LEU 92 9.244 -7.537 -8.504 730 HA LEU 92 HA LEU 92 10.520 -7.201 -5.852 731 HB2 LEU 92 2HB LEU 92 7.992 -7.544 -5.903 732 HB3 LEU 92 1HB LEU 92 8.331 -9.174 -6.477 733 HG LEU 92 HG LEU 92 9.609 -8.059 -3.966 734 HD11 LEU 92 1HD1 LEU 92 7.064 -9.679 -4.104 735 HD12 LEU 92 2HD1 LEU 92 7.141 -7.944 -3.781 736 HD13 LEU 92 3HD1 LEU 92 7.871 -9.083 -2.653 737 HD21 LEU 92 3HD2 LEU 92 9.406 -10.772 -5.259 738 HD22 LEU 92 1HD2 LEU 92 9.490 -10.684 -3.497 739 HD23 LEU 92 2HD2 LEU 92 10.783 -9.999 -4.480 740 H PHE 93 H PHE 93 12.311 -8.322 -5.611 741 HA PHE 93 HA PHE 93 12.502 -11.044 -6.637 742 HB2 PHE 93 2HB PHE 93 14.585 -10.631 -7.883 743 HB3 PHE 93 1HB PHE 93 13.238 -9.728 -8.577 744 HD1 PHE 93 HD1 PHE 93 16.354 -9.495 -6.629 745 HD2 PHE 93 HD2 PHE 93 13.087 -7.303 -8.348 746 HE1 PHE 93 HE1 PHE 93 17.595 -7.377 -6.282 747 HE2 PHE 93 HE2 PHE 93 14.327 -5.183 -8.003 748 HZ PHE 93 HZ PHE 93 16.583 -5.220 -6.970 749 H ASP 94 H ASP 94 14.139 -12.262 -5.650 750 HA ASP 94 HA ASP 94 15.130 -11.107 -3.140 751 HB2 ASP 94 2HB ASP 94 15.612 -13.414 -2.509 752 HB3 ASP 94 1HB ASP 94 13.948 -13.269 -3.069 753 H GLU 95 H GLU 95 17.354 -12.348 -2.544 754 HA GLU 95 HA GLU 95 19.317 -11.128 -4.230 755 HB2 GLU 95 2HB GLU 95 19.568 -13.034 -1.894 756 HB3 GLU 95 1HB GLU 95 20.936 -12.257 -2.691 757 HG2 GLU 95 2HG GLU 95 20.021 -10.045 -2.156 758 HG3 GLU 95 1HG GLU 95 18.613 -10.795 -1.405 759 H GLY 96 H GLY 96 17.817 -12.902 -5.781 760 HA2 GLY 96 2HA GLY 96 19.912 -14.816 -6.603 761 HA3 GLY 96 1HA GLY 96 18.264 -15.391 -6.369 762 H GLY 97 H GLY 97 17.453 -12.555 -7.345 763 HA2 GLY 97 2HA GLY 97 17.167 -11.437 -9.380 764 HA3 GLY 97 1HA GLY 97 18.127 -12.678 -10.179 765 H ASP 98 H ASP 98 16.142 -14.480 -8.419 766 HA ASP 98 HA ASP 98 14.220 -14.814 -10.625 767 HB2 ASP 98 2HB ASP 98 15.555 -16.756 -9.710 768 HB3 ASP 98 1HB ASP 98 14.617 -16.605 -8.226 769 H GLU 99 H GLU 99 12.418 -13.643 -10.432 770 HA GLU 99 HA GLU 99 11.412 -12.453 -8.130 771 HB2 GLU 99 2HB GLU 99 9.953 -13.405 -10.604 772 HB3 GLU 99 1HB GLU 99 9.247 -12.355 -9.381 773 HG2 GLU 99 2HG GLU 99 10.063 -10.900 -11.086 774 HG3 GLU 99 1HG GLU 99 11.226 -10.792 -9.765 775 H VAL 100 H VAL 100 11.518 -13.939 -6.412 776 HA VAL 100 HA VAL 100 9.197 -15.722 -6.246 777 HB VAL 100 HB VAL 100 11.228 -17.027 -7.064 778 HG11 VAL 100 1HG1 VAL 100 13.003 -17.490 -5.543 779 HG12 VAL 100 2HG1 VAL 100 12.140 -16.754 -4.194 780 HG13 VAL 100 3HG1 VAL 100 12.787 -15.740 -5.483 781 HG21 VAL 100 3HG2 VAL 100 9.257 -18.064 -5.962 782 HG22 VAL 100 1HG2 VAL 100 10.008 -17.793 -4.390 783 HG23 VAL 100 2HG2 VAL 100 10.749 -18.904 -5.540 784 H ILE 101 H ILE 101 8.587 -16.242 -4.088 785 HA ILE 101 HA ILE 101 9.225 -14.167 -2.199 786 HB ILE 101 HB ILE 101 7.489 -16.638 -2.026 787 HG12 ILE 101 2HG1 ILE 101 5.686 -14.881 -2.014 788 HG13 ILE 101 1HG1 ILE 101 6.931 -13.672 -2.316 789 HG21 ILE 101 1HG2 ILE 101 8.103 -14.484 0.004 790 HG22 ILE 101 2HG2 ILE 101 8.145 -16.235 0.218 791 HG23 ILE 101 3HG2 ILE 101 6.598 -15.404 0.053 792 HD11 ILE 101 3HD1 ILE 101 5.594 -14.753 -4.333 793 HD12 ILE 101 1HD1 ILE 101 6.781 -16.045 -4.153 794 HD13 ILE 101 2HD1 ILE 101 7.312 -14.394 -4.488 795 H ALA 102 H ALA 102 10.682 -14.209 -0.624 796 HA ALA 102 HA ALA 102 11.584 -16.748 0.488 797 HB1 ALA 102 3HB ALA 102 13.028 -15.579 -1.635 798 HB2 ALA 102 1HB ALA 102 13.581 -16.881 -0.585 799 HB3 ALA 102 2HB ALA 102 13.965 -15.204 -0.191 800 HA PRO 103 HA PRO 103 12.351 -14.685 4.300 801 HB2 PRO 103 2HB PRO 103 15.318 -15.019 3.953 802 HB3 PRO 103 1HB PRO 103 14.293 -15.457 5.331 803 HG2 PRO 103 2HG PRO 103 15.198 -17.312 3.656 804 HG3 PRO 103 1HG PRO 103 13.565 -17.412 4.342 805 HD2 PRO 103 2HD PRO 103 14.403 -16.657 1.571 806 HD3 PRO 103 1HD PRO 103 12.932 -17.487 2.123 807 H ARG 104 H ARG 104 14.638 -13.740 1.741 808 HA ARG 104 HA ARG 104 14.686 -10.970 2.786 809 HB2 ARG 104 2HB ARG 104 16.406 -12.210 0.620 810 HB3 ARG 104 1HB ARG 104 16.630 -10.638 1.389 811 HG2 ARG 104 2HG ARG 104 18.090 -11.819 2.736 812 HG3 ARG 104 1HG ARG 104 16.615 -12.211 3.617 813 HD2 ARG 104 2HD ARG 104 16.409 -14.235 2.059 814 HD3 ARG 104 1HD ARG 104 18.059 -13.891 1.565 815 HE ARG 104 HE ARG 104 18.153 -13.961 4.313 816 HH11 ARG 104 1HH2 ARG 104 17.107 -16.052 1.762 817 HH12 ARG 104 2HH2 ARG 104 17.481 -17.510 2.619 818 HH21 ARG 104 1HH1 ARG 104 18.644 -15.861 5.442 819 HH22 ARG 104 2HH1 ARG 104 18.352 -17.402 4.705 820 H MET 105 H MET 105 12.908 -9.978 2.023 821 HA MET 105 HA MET 105 12.207 -10.287 -0.830 822 HB2 MET 105 2HB MET 105 10.667 -9.137 1.505 823 HB3 MET 105 1HB MET 105 10.087 -9.173 -0.160 824 HG2 MET 105 2HG MET 105 10.295 -11.641 -0.172 825 HG3 MET 105 1HG MET 105 10.848 -11.589 1.502 826 HE1 MET 105 3HE MET 105 6.770 -10.755 -0.280 827 HE2 MET 105 1HE MET 105 8.372 -10.651 -1.017 828 HE3 MET 105 2HE MET 105 7.747 -9.302 -0.074 829 H TYR 106 H TYR 106 12.311 -8.618 -2.222 830 HA TYR 106 HA TYR 106 12.902 -5.910 -1.205 831 HB2 TYR 106 2HB TYR 106 15.068 -6.896 -1.775 832 HB3 TYR 106 1HB TYR 106 14.461 -7.347 -3.367 833 HD1 TYR 106 HD1 TYR 106 15.184 -4.445 -1.150 834 HD2 TYR 106 HD2 TYR 106 14.370 -5.777 -5.150 835 HE1 TYR 106 HE1 TYR 106 15.765 -2.197 -2.014 836 HE2 TYR 106 HE2 TYR 106 14.953 -3.525 -6.020 837 HH TYR 106 HH TYR 106 16.576 -1.220 -4.194 838 H CYS 107 H CYS 107 11.074 -4.934 -1.840 839 HA CYS 107 HA CYS 107 10.178 -5.260 -4.646 840 HB2 CYS 107 2HB CYS 107 7.986 -4.480 -3.870 841 HB3 CYS 107 1HB CYS 107 8.496 -5.907 -2.969 842 HG CYS 107 HG CYS 107 9.409 -3.966 -1.164 843 H SER 108 H SER 108 10.961 -3.701 -5.856 844 HA SER 108 HA SER 108 10.418 -0.930 -5.190 845 HB2 SER 108 2HB SER 108 13.295 -1.781 -5.562 846 HB3 SER 108 1HB SER 108 12.706 -0.145 -5.284 847 HG SER 108 HG SER 108 13.492 -1.342 -3.392 848 H PHE 109 H PHE 109 11.110 0.544 -6.974 849 HA PHE 109 HA PHE 109 10.231 -0.421 -9.470 850 HB2 PHE 109 2HB PHE 109 11.794 2.063 -8.742 851 HB3 PHE 109 1HB PHE 109 11.137 1.753 -10.350 852 HD1 PHE 109 HD2 PHE 109 8.679 1.569 -10.690 853 HD2 PHE 109 HD1 PHE 109 10.370 2.688 -6.905 854 HE1 PHE 109 HE2 PHE 109 6.466 2.411 -9.951 855 HE2 PHE 109 HE1 PHE 109 8.159 3.529 -6.166 856 HZ PHE 109 HZ PHE 109 6.209 3.388 -7.689 857 H SER 110 H SER 110 13.397 -0.219 -8.016 858 HA SER 110 HA SER 110 14.970 -0.501 -10.352 859 HB2 SER 110 2HB SER 110 16.685 -1.434 -8.734 860 HB3 SER 110 1HB SER 110 16.065 0.168 -8.341 861 HG SER 110 HG SER 110 15.073 -0.634 -6.645 862 H ALA 111 H ALA 111 16.010 -2.357 -11.201 863 HA ALA 111 HA ALA 111 14.473 -4.848 -10.785 864 HB1 ALA 111 3HB ALA 111 14.374 -5.035 -13.043 865 HB2 ALA 111 1HB ALA 111 16.127 -4.879 -13.186 866 HB3 ALA 111 2HB ALA 111 15.113 -3.439 -13.153 867 HA PRO 112 HA PRO 112 17.842 -7.309 -9.408 868 HB2 PRO 112 2HB PRO 112 17.900 -8.767 -12.032 869 HB3 PRO 112 1HB PRO 112 17.780 -9.416 -10.385 870 HG2 PRO 112 2HG PRO 112 15.654 -9.322 -11.983 871 HG3 PRO 112 1HG PRO 112 15.513 -9.001 -10.245 872 HD2 PRO 112 2HD PRO 112 15.447 -7.064 -12.529 873 HD3 PRO 112 1HD PRO 112 14.595 -7.018 -10.971 874 H ASP 113 H ASP 113 18.212 -6.340 -12.819 875 HA ASP 113 HA ASP 113 21.136 -6.173 -12.498 876 HB2 ASP 113 2HB ASP 113 20.208 -7.314 -14.497 877 HB3 ASP 113 1HB ASP 113 19.432 -5.803 -14.973 878 H ASP 114 H ASP 114 19.787 -4.311 -10.986 879 HA ASP 114 HA ASP 114 19.258 -1.843 -12.217 880 HB2 ASP 114 2HB ASP 114 18.693 -2.419 -9.855 881 HB3 ASP 114 1HB ASP 114 20.404 -2.290 -9.451 Start of MODEL 7 1 HA2 GLY 1 2HA GLY 1 22.189 -11.631 12.901 2 HA3 GLY 1 1HA GLY 1 23.456 -12.453 11.990 3 H LYS 2 H LYS 2 20.924 -14.146 13.729 4 HA LYS 2 HA LYS 2 20.085 -15.450 11.269 5 HB2 LYS 2 2HB LYS 2 19.198 -15.819 14.142 6 HB3 LYS 2 1HB LYS 2 18.678 -16.819 12.786 7 HG2 LYS 2 2HG LYS 2 21.627 -16.427 13.245 8 HG3 LYS 2 1HG LYS 2 20.755 -17.544 14.287 9 HD2 LYS 2 2HD LYS 2 20.304 -17.746 11.317 10 HD3 LYS 2 1HD LYS 2 21.815 -18.364 11.975 11 HE2 LYS 2 2HE LYS 2 19.115 -19.108 13.116 12 HE3 LYS 2 1HE LYS 2 19.901 -20.041 11.843 13 HZ1 LYS 2 3HZ LYS 2 20.601 -21.068 13.779 14 HZ2 LYS 2 1HZ LYS 2 20.774 -19.609 14.628 15 HZ3 LYS 2 2HZ LYS 2 21.899 -20.030 13.425 16 H LYS 3 H LYS 3 19.253 -12.657 12.879 17 HA LYS 3 HA LYS 3 17.521 -11.168 12.619 18 HB2 LYS 3 2HB LYS 3 16.638 -13.072 10.431 19 HB3 LYS 3 1HB LYS 3 16.026 -11.456 10.687 20 HG2 LYS 3 2HG LYS 3 18.295 -10.539 10.347 21 HG3 LYS 3 1HG LYS 3 18.910 -12.173 10.084 22 HD2 LYS 3 2HD LYS 3 17.401 -12.432 8.148 23 HD3 LYS 3 1HD LYS 3 16.792 -10.798 8.403 24 HE2 LYS 3 2HE LYS 3 19.056 -9.890 8.049 25 HE3 LYS 3 1HE LYS 3 19.675 -11.524 7.803 26 HZ1 LYS 3 3HZ LYS 3 18.143 -9.841 6.019 27 HZ2 LYS 3 1HZ LYS 3 17.631 -11.457 6.079 28 HZ3 LYS 3 2HZ LYS 3 19.237 -11.091 5.665 29 H VAL 4 H VAL 4 16.667 -14.588 12.721 30 HA VAL 4 HA VAL 4 14.159 -13.936 14.106 31 HB VAL 4 HB VAL 4 14.068 -15.470 12.136 32 HG11 VAL 4 1HG1 VAL 4 16.339 -16.497 12.644 33 HG12 VAL 4 2HG1 VAL 4 15.068 -17.653 12.246 34 HG13 VAL 4 3HG1 VAL 4 15.549 -17.416 13.924 35 HG21 VAL 4 3HG2 VAL 4 13.421 -17.151 14.544 36 HG22 VAL 4 1HG2 VAL 4 12.444 -16.810 13.124 37 HG23 VAL 4 2HG2 VAL 4 12.614 -15.594 14.381 38 H GLU 5 H GLU 5 17.151 -14.141 15.052 39 HA GLU 5 HA GLU 5 18.287 -14.877 16.915 40 HB2 GLU 5 2HB GLU 5 15.461 -14.730 17.981 41 HB3 GLU 5 1HB GLU 5 16.887 -14.949 18.996 42 HG2 GLU 5 2HG GLU 5 17.821 -12.836 18.185 43 HG3 GLU 5 1HG GLU 5 16.443 -12.621 17.108 44 H PHE 6 H PHE 6 15.863 -16.551 18.518 45 HA PHE 6 HA PHE 6 16.226 -19.114 17.226 46 HB2 PHE 6 2HB PHE 6 17.483 -18.548 19.918 47 HB3 PHE 6 1HB PHE 6 17.213 -20.169 19.277 48 HD1 PHE 6 HD2 PHE 6 18.439 -20.971 17.302 49 HD2 PHE 6 HD1 PHE 6 19.169 -17.077 18.964 50 HE1 PHE 6 HE2 PHE 6 20.536 -20.805 15.989 51 HE2 PHE 6 HE1 PHE 6 21.266 -16.912 17.651 52 HZ PHE 6 HZ PHE 6 21.951 -18.775 16.164 53 H ASN 7 H ASN 7 15.868 -19.161 20.633 54 HA ASN 7 HA ASN 7 14.107 -19.843 21.948 55 HB2 ASN 7 2HB ASN 7 12.810 -17.737 20.211 56 HB3 ASN 7 1HB ASN 7 12.012 -18.472 21.602 57 HD21 ASN 7 1HD2 ASN 7 14.458 -18.675 23.240 58 HD22 ASN 7 2HD2 ASN 7 14.863 -17.094 23.695 59 H ASP 8 H ASP 8 14.601 -21.360 19.480 60 HA ASP 8 HA ASP 8 13.542 -22.825 18.016 61 HB2 ASP 8 2HB ASP 8 12.281 -23.316 20.717 62 HB3 ASP 8 1HB ASP 8 11.999 -24.368 19.328 63 H LYS 9 H LYS 9 10.605 -23.037 19.695 64 HA LYS 9 HA LYS 9 9.217 -21.788 17.462 65 HB2 LYS 9 2HB LYS 9 7.179 -22.771 18.780 66 HB3 LYS 9 1HB LYS 9 8.247 -23.851 17.893 67 HG2 LYS 9 2HG LYS 9 9.476 -24.383 19.918 68 HG3 LYS 9 1HG LYS 9 8.562 -23.184 20.833 69 HD2 LYS 9 2HD LYS 9 7.046 -25.337 19.373 70 HD3 LYS 9 1HD LYS 9 7.867 -25.761 20.874 71 HE2 LYS 9 2HE LYS 9 6.650 -24.086 22.107 72 HE3 LYS 9 1HE LYS 9 5.980 -23.403 20.629 73 HZ1 LYS 9 3HZ LYS 9 4.744 -25.229 22.138 74 HZ2 LYS 9 1HZ LYS 9 5.491 -26.224 20.985 75 HZ3 LYS 9 2HZ LYS 9 4.436 -24.989 20.485 76 HA PRO 10 HA PRO 10 8.010 -17.964 19.266 77 HB2 PRO 10 2HB PRO 10 5.191 -18.951 19.072 78 HB3 PRO 10 1HB PRO 10 5.881 -17.414 18.516 79 HG2 PRO 10 2HG PRO 10 5.336 -19.496 16.855 80 HG3 PRO 10 1HG PRO 10 6.603 -18.300 16.544 81 HD2 PRO 10 2HD PRO 10 6.898 -21.135 17.228 82 HD3 PRO 10 1HD PRO 10 8.119 -19.996 16.629 83 H LYS 11 H LYS 11 7.011 -20.979 20.569 84 HA LYS 11 HA LYS 11 6.744 -21.686 22.738 85 HB2 LYS 11 2HB LYS 11 8.545 -19.814 23.092 86 HB3 LYS 11 1HB LYS 11 7.202 -18.879 23.745 87 HG2 LYS 11 2HG LYS 11 6.720 -20.618 25.382 88 HG3 LYS 11 1HG LYS 11 7.978 -21.647 24.699 89 HD2 LYS 11 2HD LYS 11 9.680 -19.956 25.266 90 HD3 LYS 11 1HD LYS 11 8.425 -18.932 25.964 91 HE2 LYS 11 2HE LYS 11 7.881 -20.698 27.596 92 HE3 LYS 11 1HE LYS 11 9.131 -21.730 26.899 93 HZ1 LYS 11 3HZ LYS 11 9.922 -20.554 28.863 94 HZ2 LYS 11 1HZ LYS 11 9.588 -19.063 28.125 95 HZ3 LYS 11 2HZ LYS 11 10.785 -20.083 27.476 96 H VAL 12 H VAL 12 5.417 -18.413 22.247 97 HA VAL 12 HA VAL 12 3.239 -18.708 24.025 98 HB VAL 12 HB VAL 12 2.298 -16.746 22.863 99 HG11 VAL 12 1HG1 VAL 12 4.227 -16.600 24.527 100 HG12 VAL 12 2HG1 VAL 12 4.060 -15.226 23.433 101 HG13 VAL 12 3HG1 VAL 12 5.299 -16.446 23.133 102 HG21 VAL 12 3HG2 VAL 12 4.477 -17.430 20.881 103 HG22 VAL 12 1HG2 VAL 12 3.809 -15.804 20.990 104 HG23 VAL 12 2HG2 VAL 12 2.763 -17.155 20.570 105 H ARG 13 H ARG 13 3.493 -19.135 20.504 106 HA ARG 13 HA ARG 13 1.181 -20.947 20.598 107 HB2 ARG 13 2HB ARG 13 1.379 -18.500 18.831 108 HB3 ARG 13 1HB ARG 13 0.240 -19.820 18.558 109 HG2 ARG 13 2HG ARG 13 -0.701 -19.466 20.820 110 HG3 ARG 13 1HG ARG 13 0.416 -18.123 21.065 111 HD2 ARG 13 2HD ARG 13 -1.591 -18.250 18.804 112 HD3 ARG 13 1HD ARG 13 -1.878 -17.412 20.327 113 HE ARG 13 HE ARG 13 0.560 -16.492 19.250 114 HH11 ARG 13 1HH2 ARG 13 -2.844 -16.478 18.616 115 HH12 ARG 13 2HH2 ARG 13 -2.821 -14.961 17.782 116 HH21 ARG 13 1HH1 ARG 13 0.596 -14.503 18.157 117 HH22 ARG 13 2HH1 ARG 13 -0.874 -13.843 17.521 118 H LYS 14 H LYS 14 1.040 -22.345 18.774 119 HA LYS 14 HA LYS 14 3.500 -23.343 17.862 120 HB2 LYS 14 2HB LYS 14 0.746 -23.705 16.649 121 HB3 LYS 14 1HB LYS 14 2.151 -24.711 16.312 122 HG2 LYS 14 2HG LYS 14 1.239 -24.312 19.160 123 HG3 LYS 14 1HG LYS 14 0.426 -25.490 18.135 124 HD2 LYS 14 2HD LYS 14 2.614 -26.566 17.662 125 HD3 LYS 14 1HD LYS 14 3.399 -25.421 18.742 126 HE2 LYS 14 2HE LYS 14 2.996 -27.437 19.993 127 HE3 LYS 14 1HE LYS 14 1.871 -26.211 20.576 128 HZ1 LYS 14 3HZ LYS 14 1.345 -28.555 18.875 129 HZ2 LYS 14 1HZ LYS 14 0.326 -27.202 18.779 130 HZ3 LYS 14 2HZ LYS 14 0.512 -28.019 20.256 131 H ILE 15 H ILE 15 4.590 -23.199 15.918 132 HA ILE 15 HA ILE 15 4.870 -20.794 14.711 133 HB ILE 15 HB ILE 15 5.633 -22.220 12.634 134 HG12 ILE 15 2HG1 ILE 15 5.448 -24.384 14.739 135 HG13 ILE 15 1HG1 ILE 15 4.215 -24.179 13.493 136 HG21 ILE 15 1HG2 ILE 15 7.695 -22.812 13.835 137 HG22 ILE 15 2HG2 ILE 15 6.872 -22.580 15.378 138 HG23 ILE 15 3HG2 ILE 15 7.140 -21.206 14.304 139 HD11 ILE 15 3HD1 ILE 15 7.152 -24.426 12.819 140 HD12 ILE 15 1HD1 ILE 15 5.768 -24.607 11.740 141 HD13 ILE 15 2HD1 ILE 15 6.100 -25.834 12.963 142 HA PRO 16 HA PRO 16 1.308 -20.117 12.209 143 HB2 PRO 16 2HB PRO 16 2.360 -18.545 10.220 144 HB3 PRO 16 1HB PRO 16 2.079 -17.965 11.872 145 HG2 PRO 16 2HG PRO 16 4.618 -18.903 10.603 146 HG3 PRO 16 1HG PRO 16 4.340 -17.533 11.697 147 HD2 PRO 16 2HD PRO 16 5.376 -19.908 12.560 148 HD3 PRO 16 1HD PRO 16 4.377 -18.858 13.593 149 H SER 17 H SER 17 0.248 -20.938 10.409 150 HA SER 17 HA SER 17 1.443 -23.157 9.078 151 HB2 SER 17 2HB SER 17 -0.675 -23.230 7.802 152 HB3 SER 17 1HB SER 17 -0.958 -23.087 9.534 153 HG SER 17 HG SER 17 -0.677 -20.708 8.151 154 H THR 18 H THR 18 0.724 -19.824 8.143 155 HA THR 18 HA THR 18 2.052 -20.286 5.534 156 HB THR 18 HB THR 18 0.019 -19.303 5.022 157 HG1 THR 18 HG1 THR 18 0.501 -17.220 4.467 158 HG21 THR 18 3HG2 THR 18 0.317 -17.725 7.583 159 HG22 THR 18 1HG2 THR 18 -0.818 -19.036 7.269 160 HG23 THR 18 2HG2 THR 18 -0.997 -17.497 6.428 161 H ARG 19 H ARG 19 2.978 -17.927 4.812 162 HA ARG 19 HA ARG 19 5.011 -17.300 6.879 163 HB2 ARG 19 2HB ARG 19 6.361 -16.479 4.984 164 HB3 ARG 19 1HB ARG 19 5.931 -18.178 4.800 165 HG2 ARG 19 2HG ARG 19 4.084 -17.565 3.307 166 HG3 ARG 19 1HG ARG 19 4.476 -15.852 3.502 167 HD2 ARG 19 2HD ARG 19 6.310 -17.964 2.340 168 HD3 ARG 19 1HD ARG 19 5.424 -16.757 1.413 169 HE ARG 19 HE ARG 19 6.819 -15.201 3.102 170 HH11 ARG 19 1HH2 ARG 19 7.700 -17.944 1.184 171 HH12 ARG 19 2HH2 ARG 19 9.336 -17.429 0.950 172 HH21 ARG 19 1HH1 ARG 19 8.965 -14.521 2.802 173 HH22 ARG 19 2HH1 ARG 19 10.053 -15.490 1.866 174 H LYS 20 H LYS 20 5.416 -15.212 7.468 175 HA LYS 20 HA LYS 20 3.392 -13.216 6.620 176 HB2 LYS 20 2HB LYS 20 5.012 -13.487 9.157 177 HB3 LYS 20 1HB LYS 20 4.047 -12.066 8.763 178 HG2 LYS 20 2HG LYS 20 2.027 -13.448 8.616 179 HG3 LYS 20 1HG LYS 20 2.977 -14.897 8.943 180 HD2 LYS 20 2HD LYS 20 3.573 -14.062 11.152 181 HD3 LYS 20 1HD LYS 20 2.755 -12.532 10.828 182 HE2 LYS 20 2HE LYS 20 1.301 -13.972 12.171 183 HE3 LYS 20 1HE LYS 20 0.611 -13.770 10.561 184 HZ1 LYS 20 3HZ LYS 20 0.497 -16.008 10.700 185 HZ2 LYS 20 1HZ LYS 20 1.782 -16.132 11.801 186 HZ3 LYS 20 2HZ LYS 20 2.099 -15.909 10.146 187 H ILE 21 H ILE 21 4.013 -11.161 6.026 188 HA ILE 21 HA ILE 21 6.908 -10.782 5.528 189 HB ILE 21 HB ILE 21 4.493 -10.264 3.835 190 HG12 ILE 21 2HG1 ILE 21 6.354 -12.115 3.601 191 HG13 ILE 21 1HG1 ILE 21 5.790 -11.272 2.159 192 HG21 ILE 21 1HG2 ILE 21 6.020 -8.642 2.508 193 HG22 ILE 21 2HG2 ILE 21 6.942 -8.489 4.001 194 HG23 ILE 21 3HG2 ILE 21 5.242 -8.013 3.954 195 HD11 ILE 21 3HD1 ILE 21 8.360 -11.473 2.533 196 HD12 ILE 21 1HD1 ILE 21 8.141 -10.198 3.730 197 HD13 ILE 21 2HD1 ILE 21 7.711 -9.907 2.054 198 H LYS 22 H LYS 22 7.845 -8.939 6.167 199 HA LYS 22 HA LYS 22 6.127 -6.751 7.163 200 HB2 LYS 22 2HB LYS 22 6.994 -8.360 8.991 201 HB3 LYS 22 1HB LYS 22 8.567 -7.631 8.702 202 HG2 LYS 22 2HG LYS 22 7.655 -5.403 9.163 203 HG3 LYS 22 1HG LYS 22 6.050 -6.081 9.381 204 HD2 LYS 22 2HD LYS 22 8.402 -7.020 11.030 205 HD3 LYS 22 1HD LYS 22 7.442 -5.621 11.509 206 HE2 LYS 22 2HE LYS 22 5.385 -7.122 11.301 207 HE3 LYS 22 1HE LYS 22 6.500 -8.478 11.173 208 HZ1 LYS 22 3HZ LYS 22 6.875 -8.436 13.332 209 HZ2 LYS 22 1HZ LYS 22 5.584 -7.347 13.475 210 HZ3 LYS 22 2HZ LYS 22 7.174 -6.763 13.335 211 H ILE 23 H ILE 23 8.606 -7.723 5.203 212 HA ILE 23 HA ILE 23 9.987 -5.118 5.325 213 HB ILE 23 HB ILE 23 10.887 -7.677 4.025 214 HG12 ILE 23 2HG1 ILE 23 12.668 -7.210 6.038 215 HG13 ILE 23 1HG1 ILE 23 11.222 -6.519 6.772 216 HG21 ILE 23 1HG2 ILE 23 12.232 -5.002 4.469 217 HG22 ILE 23 2HG2 ILE 23 11.822 -5.741 2.920 218 HG23 ILE 23 3HG2 ILE 23 13.075 -6.457 3.934 219 HD11 ILE 23 3HD1 ILE 23 10.008 -8.618 6.417 220 HD12 ILE 23 1HD1 ILE 23 11.494 -8.930 7.308 221 HD13 ILE 23 2HD1 ILE 23 11.403 -9.310 5.592 222 H THR 24 H THR 24 9.644 -3.686 3.771 223 HA THR 24 HA THR 24 8.984 -4.587 1.067 224 HB THR 24 HB THR 24 6.999 -3.137 0.934 225 HG1 THR 24 HG1 THR 24 7.960 -2.087 3.072 226 HG21 THR 24 3HG2 THR 24 5.503 -4.600 2.080 227 HG22 THR 24 1HG2 THR 24 6.715 -5.003 3.295 228 HG23 THR 24 2HG2 THR 24 6.897 -5.586 1.639 229 H PHE 25 H PHE 25 9.485 -3.086 -0.521 230 HA PHE 25 HA PHE 25 11.531 -1.231 0.061 231 HB2 PHE 25 2HB PHE 25 11.055 -2.363 -2.167 232 HB3 PHE 25 1HB PHE 25 9.765 -1.178 -2.391 233 HD1 PHE 25 HD1 PHE 25 13.425 -1.517 -1.742 234 HD2 PHE 25 HD2 PHE 25 10.249 1.022 -3.126 235 HE1 PHE 25 HE1 PHE 25 15.093 0.148 -2.516 236 HE2 PHE 25 HE2 PHE 25 11.915 2.687 -3.900 237 HZ PHE 25 HZ PHE 25 14.339 2.250 -3.597 238 H ALA 26 H ALA 26 11.326 0.641 1.098 239 HA ALA 26 HA ALA 26 8.776 1.957 1.370 240 HB1 ALA 26 3HB ALA 26 10.239 3.690 2.579 241 HB2 ALA 26 1HB ALA 26 11.566 2.561 2.339 242 HB3 ALA 26 2HB ALA 26 10.160 2.078 3.286 243 H LEU 27 H LEU 27 7.961 3.142 -0.230 244 HA LEU 27 HA LEU 27 9.512 4.249 -2.342 245 HB2 LEU 27 2HB LEU 27 6.655 4.563 -1.437 246 HB3 LEU 27 1HB LEU 27 7.293 5.557 -2.745 247 HG LEU 27 HG LEU 27 8.010 3.470 -3.924 248 HD11 LEU 27 1HD1 LEU 27 6.644 2.227 -1.531 249 HD12 LEU 27 2HD1 LEU 27 8.255 1.889 -2.169 250 HD13 LEU 27 3HD1 LEU 27 6.827 1.354 -3.053 251 HD21 LEU 27 3HD2 LEU 27 5.082 3.705 -3.180 252 HD22 LEU 27 1HD2 LEU 27 5.692 2.748 -4.528 253 HD23 LEU 27 2HD2 LEU 27 5.890 4.500 -4.529 254 H ASP 28 H ASP 28 8.059 5.631 0.579 255 HA ASP 28 HA ASP 28 9.977 7.821 0.489 256 HB2 ASP 28 2HB ASP 28 7.000 8.229 0.261 257 HB3 ASP 28 1HB ASP 28 8.080 9.485 0.860 258 H ALA 29 H ALA 29 10.231 8.886 2.489 259 HA ALA 29 HA ALA 29 9.999 7.304 4.771 260 HB1 ALA 29 3HB ALA 29 11.563 9.127 4.741 261 HB2 ALA 29 1HB ALA 29 10.396 9.461 6.023 262 HB3 ALA 29 2HB ALA 29 10.274 10.301 4.477 263 H THR 30 H THR 30 7.976 10.077 3.794 264 HA THR 30 HA THR 30 6.165 9.923 5.949 265 HB THR 30 HB THR 30 5.757 10.961 3.135 266 HG1 THR 30 HG1 THR 30 5.948 12.694 5.233 267 HG21 THR 30 3HG2 THR 30 4.087 11.136 5.641 268 HG22 THR 30 1HG2 THR 30 3.583 10.632 4.023 269 HG23 THR 30 2HG2 THR 30 3.954 12.331 4.350 270 H PHE 31 H PHE 31 5.953 8.599 2.645 271 HA PHE 31 HA PHE 31 3.451 7.322 3.005 272 HB2 PHE 31 2HB PHE 31 4.520 7.827 0.794 273 HB3 PHE 31 1HB PHE 31 5.660 6.518 1.105 274 HD1 PHE 31 HD1 PHE 31 1.965 7.171 1.188 275 HD2 PHE 31 HD2 PHE 31 5.120 4.389 0.314 276 HE1 PHE 31 HE1 PHE 31 0.292 5.526 0.360 277 HE2 PHE 31 HE2 PHE 31 3.450 2.748 -0.509 278 HZ PHE 31 HZ PHE 31 1.037 3.317 -0.485 279 H ASP 32 H ASP 32 6.743 6.387 3.730 280 HA ASP 32 HA ASP 32 6.329 3.607 4.048 281 HB2 ASP 32 2HB ASP 32 8.564 4.605 3.879 282 HB3 ASP 32 1HB ASP 32 8.329 5.421 5.422 283 H SER 33 H SER 33 6.352 6.262 6.431 284 HA SER 33 HA SER 33 5.704 4.671 8.674 285 HB2 SER 33 2HB SER 33 6.562 6.854 9.079 286 HB3 SER 33 1HB SER 33 5.323 7.606 8.076 287 HG SER 33 HG SER 33 5.250 7.079 10.672 288 H VAL 34 H VAL 34 3.662 6.521 6.425 289 HA VAL 34 HA VAL 34 1.200 5.962 7.722 290 HB VAL 34 HB VAL 34 1.814 6.657 4.842 291 HG11 VAL 34 1HG1 VAL 34 -0.641 7.373 4.886 292 HG12 VAL 34 2HG1 VAL 34 -0.790 6.415 6.360 293 HG13 VAL 34 3HG1 VAL 34 -0.345 5.635 4.841 294 HG21 VAL 34 3HG2 VAL 34 2.452 8.359 6.532 295 HG22 VAL 34 1HG2 VAL 34 0.812 8.318 7.178 296 HG23 VAL 34 2HG2 VAL 34 1.101 8.909 5.540 297 H LEU 35 H LEU 35 2.890 4.376 5.025 298 HA LEU 35 HA LEU 35 0.918 2.465 4.475 299 HB2 LEU 35 2HB LEU 35 2.753 2.929 2.918 300 HB3 LEU 35 1HB LEU 35 3.920 2.300 4.083 301 HG LEU 35 HG LEU 35 2.839 0.079 3.969 302 HD11 LEU 35 1HD1 LEU 35 0.920 1.609 2.236 303 HD12 LEU 35 2HD1 LEU 35 0.584 0.413 3.489 304 HD13 LEU 35 3HD1 LEU 35 1.181 -0.105 1.920 305 HD21 LEU 35 3HD2 LEU 35 4.653 0.768 2.351 306 HD22 LEU 35 1HD2 LEU 35 3.380 1.113 1.183 307 HD23 LEU 35 2HD2 LEU 35 3.607 -0.530 1.780 308 H SER 36 H SER 36 3.768 2.345 6.584 309 HA SER 36 HA SER 36 3.501 -0.340 7.399 310 HB2 SER 36 2HB SER 36 5.538 0.981 7.793 311 HB3 SER 36 1HB SER 36 4.659 2.009 8.922 312 HG SER 36 HG SER 36 4.726 0.470 10.377 313 H LYS 37 H LYS 37 2.242 2.670 8.804 314 HA LYS 37 HA LYS 37 1.009 1.464 11.054 315 HB2 LYS 37 2HB LYS 37 1.503 3.900 10.849 316 HB3 LYS 37 1HB LYS 37 0.215 4.023 9.650 317 HG2 LYS 37 2HG LYS 37 -1.431 3.253 11.284 318 HG3 LYS 37 1HG LYS 37 -0.160 3.016 12.485 319 HD2 LYS 37 2HD LYS 37 0.364 5.429 12.405 320 HD3 LYS 37 1HD LYS 37 -0.920 5.665 11.219 321 HE2 LYS 37 2HE LYS 37 -2.585 4.859 12.841 322 HE3 LYS 37 1HE LYS 37 -1.307 4.584 14.028 323 HZ1 LYS 37 3HZ LYS 37 -1.428 7.239 12.841 324 HZ2 LYS 37 1HZ LYS 37 -1.090 6.776 14.437 325 HZ3 LYS 37 2HZ LYS 37 -2.699 6.832 13.894 326 H ALA 38 H ALA 38 -0.059 2.073 7.758 327 HA ALA 38 HA ALA 38 -2.806 1.597 8.100 328 HB1 ALA 38 3HB ALA 38 -1.988 2.567 6.046 329 HB2 ALA 38 1HB ALA 38 -2.767 1.032 5.656 330 HB3 ALA 38 2HB ALA 38 -1.008 1.141 5.710 331 H CYS 39 H CYS 39 -0.103 -0.605 7.521 332 HA CYS 39 HA CYS 39 -1.931 -2.887 8.049 333 HB2 CYS 39 2HB CYS 39 0.480 -2.861 6.233 334 HB3 CYS 39 1HB CYS 39 -0.575 -4.235 6.545 335 HG CYS 39 HG CYS 39 -1.648 -3.260 4.469 336 H SER 40 H SER 40 1.577 -2.223 7.888 337 HA SER 40 HA SER 40 3.242 -2.568 9.443 338 HB2 SER 40 2HB SER 40 2.729 -2.448 11.693 339 HB3 SER 40 1HB SER 40 1.229 -1.813 11.024 340 HG SER 40 HG SER 40 0.946 -3.517 12.580 341 H GLU 41 H GLU 41 1.245 -4.790 8.137 342 HA GLU 41 HA GLU 41 3.070 -6.948 8.497 343 HB2 GLU 41 2HB GLU 41 1.927 -7.011 10.709 344 HB3 GLU 41 1HB GLU 41 0.394 -7.254 9.875 345 HG2 GLU 41 2HG GLU 41 1.236 -9.323 8.870 346 HG3 GLU 41 1HG GLU 41 2.807 -9.072 9.628 347 H PHE 42 H PHE 42 2.687 -8.624 7.055 348 HA PHE 42 HA PHE 42 0.202 -8.512 5.459 349 HB2 PHE 42 2HB PHE 42 2.999 -8.523 4.300 350 HB3 PHE 42 1HB PHE 42 1.505 -8.668 3.379 351 HD1 PHE 42 HD2 PHE 42 -0.120 -6.769 3.315 352 HD2 PHE 42 HD1 PHE 42 3.752 -6.404 5.139 353 HE1 PHE 42 HE2 PHE 42 -0.326 -4.300 3.259 354 HE2 PHE 42 HE1 PHE 42 3.543 -3.933 5.085 355 HZ PHE 42 HZ PHE 42 1.508 -2.882 4.142 356 H GLU 43 H GLU 43 -0.565 -10.466 6.138 357 HA GLU 43 HA GLU 43 1.118 -12.793 6.333 358 HB2 GLU 43 2HB GLU 43 -0.847 -12.537 7.782 359 HB3 GLU 43 1HB GLU 43 -1.898 -12.524 6.365 360 HG2 GLU 43 2HG GLU 43 -1.855 -14.763 7.367 361 HG3 GLU 43 1HG GLU 43 -1.115 -14.808 5.779 362 H VAL 44 H VAL 44 1.816 -13.901 4.625 363 HA VAL 44 HA VAL 44 0.056 -14.101 2.238 364 HB VAL 44 HB VAL 44 3.057 -13.701 2.355 365 HG11 VAL 44 1HG1 VAL 44 2.737 -13.714 -0.209 366 HG12 VAL 44 2HG1 VAL 44 1.205 -14.528 0.116 367 HG13 VAL 44 3HG1 VAL 44 2.723 -15.267 0.614 368 HG21 VAL 44 3HG2 VAL 44 0.888 -12.083 0.985 369 HG22 VAL 44 1HG2 VAL 44 2.590 -11.654 1.155 370 HG23 VAL 44 2HG2 VAL 44 1.544 -11.689 2.574 371 H ASP 45 H ASP 45 -0.318 -16.086 1.535 372 HA ASP 45 HA ASP 45 0.420 -18.388 2.956 373 HB2 ASP 45 2HB ASP 45 -0.594 -18.031 0.147 374 HB3 ASP 45 1HB ASP 45 -0.349 -19.611 0.882 375 H LYS 46 H LYS 46 1.547 -20.303 1.822 376 HA LYS 46 HA LYS 46 4.231 -19.396 1.094 377 HB2 LYS 46 2HB LYS 46 3.067 -22.089 1.807 378 HB3 LYS 46 1HB LYS 46 4.726 -21.885 1.241 379 HG2 LYS 46 2HG LYS 46 5.162 -20.307 3.089 380 HG3 LYS 46 1HG LYS 46 3.507 -20.522 3.662 381 HD2 LYS 46 2HD LYS 46 3.906 -22.875 4.102 382 HD3 LYS 46 1HD LYS 46 5.509 -22.780 3.371 383 HE2 LYS 46 2HE LYS 46 5.651 -22.694 5.835 384 HE3 LYS 46 1HE LYS 46 6.218 -21.188 5.113 385 HZ1 LYS 46 3HZ LYS 46 3.882 -20.354 5.441 386 HZ2 LYS 46 1HZ LYS 46 4.792 -20.577 6.856 387 HZ3 LYS 46 2HZ LYS 46 3.615 -21.719 6.415 388 H ASP 47 H ASP 47 1.760 -19.348 -0.722 389 HA ASP 47 HA ASP 47 3.147 -20.411 -3.076 390 HB2 ASP 47 2HB ASP 47 1.161 -21.599 -3.869 391 HB3 ASP 47 1HB ASP 47 1.691 -22.258 -2.321 392 H VAL 48 H VAL 48 3.069 -17.813 -2.608 393 HA VAL 48 HA VAL 48 0.969 -16.803 -4.445 394 HB VAL 48 HB VAL 48 1.932 -15.571 -1.859 395 HG11 VAL 48 1HG1 VAL 48 0.419 -14.407 -4.197 396 HG12 VAL 48 2HG1 VAL 48 1.853 -13.756 -3.399 397 HG13 VAL 48 3HG1 VAL 48 0.295 -13.724 -2.574 398 HG21 VAL 48 3HG2 VAL 48 0.032 -17.320 -1.960 399 HG22 VAL 48 1HG2 VAL 48 -0.898 -16.078 -2.795 400 HG23 VAL 48 2HG2 VAL 48 -0.322 -15.792 -1.153 401 H THR 49 H THR 49 1.602 -15.257 -5.900 402 HA THR 49 HA THR 49 4.514 -14.952 -6.217 403 HB THR 49 HB THR 49 3.949 -14.192 -8.487 404 HG1 THR 49 HG1 THR 49 1.681 -14.426 -9.064 405 HG21 THR 49 3HG2 THR 49 2.760 -16.344 -9.216 406 HG22 THR 49 1HG2 THR 49 2.703 -16.760 -7.501 407 HG23 THR 49 2HG2 THR 49 4.258 -16.541 -8.306 408 H LEU 50 H LEU 50 5.518 -12.969 -6.387 409 HA LEU 50 HA LEU 50 4.852 -10.900 -4.744 410 HB2 LEU 50 2HB LEU 50 6.186 -9.423 -6.347 411 HB3 LEU 50 1HB LEU 50 7.004 -10.848 -5.718 412 HG LEU 50 HG LEU 50 5.480 -11.382 -8.206 413 HD11 LEU 50 1HD1 LEU 50 7.207 -10.281 -9.645 414 HD12 LEU 50 2HD1 LEU 50 7.808 -9.449 -8.211 415 HD13 LEU 50 3HD1 LEU 50 6.172 -9.138 -8.788 416 HD21 LEU 50 3HD2 LEU 50 8.422 -11.770 -7.637 417 HD22 LEU 50 1HD2 LEU 50 7.386 -12.702 -8.716 418 HD23 LEU 50 2HD2 LEU 50 7.198 -12.847 -6.970 419 H ASP 51 H ASP 51 3.670 -11.462 -8.016 420 HA ASP 51 HA ASP 51 2.560 -9.036 -8.677 421 HB2 ASP 51 2HB ASP 51 1.514 -11.835 -9.132 422 HB3 ASP 51 1HB ASP 51 0.771 -10.408 -9.850 423 H GLU 52 H GLU 52 1.084 -11.588 -6.679 424 HA GLU 52 HA GLU 52 -1.340 -10.216 -6.180 425 HB2 GLU 52 2HB GLU 52 -0.795 -12.697 -5.786 426 HB3 GLU 52 1HB GLU 52 -0.064 -12.158 -4.278 427 HG2 GLU 52 2HG GLU 52 -2.320 -12.747 -3.743 428 HG3 GLU 52 1HG GLU 52 -2.247 -10.992 -3.759 429 H LEU 53 H LEU 53 1.792 -10.213 -4.556 430 HA LEU 53 HA LEU 53 1.040 -8.870 -2.212 431 HB2 LEU 53 2HB LEU 53 3.248 -9.983 -2.586 432 HB3 LEU 53 1HB LEU 53 3.689 -8.668 -3.666 433 HG LEU 53 HG LEU 53 3.292 -7.054 -1.793 434 HD11 LEU 53 1HD1 LEU 53 2.640 -9.632 -0.393 435 HD12 LEU 53 2HD1 LEU 53 1.866 -8.054 -0.254 436 HD13 LEU 53 3HD1 LEU 53 3.409 -8.345 0.526 437 HD21 LEU 53 3HD2 LEU 53 5.560 -7.831 -2.282 438 HD22 LEU 53 1HD2 LEU 53 5.300 -9.265 -1.289 439 HD23 LEU 53 2HD2 LEU 53 5.346 -7.669 -0.539 440 H LEU 54 H LEU 54 2.134 -7.639 -5.351 441 HA LEU 54 HA LEU 54 2.149 -4.891 -4.650 442 HB2 LEU 54 2HB LEU 54 2.044 -6.454 -7.206 443 HB3 LEU 54 1HB LEU 54 1.660 -4.733 -7.279 444 HG LEU 54 HG LEU 54 3.805 -4.223 -6.146 445 HD11 LEU 54 1HD1 LEU 54 5.480 -6.060 -5.956 446 HD12 LEU 54 2HD1 LEU 54 4.225 -7.210 -6.401 447 HD13 LEU 54 3HD1 LEU 54 4.092 -6.302 -4.897 448 HD21 LEU 54 3HD2 LEU 54 4.292 -6.015 -8.529 449 HD22 LEU 54 1HD2 LEU 54 5.184 -4.568 -8.060 450 HD23 LEU 54 2HD2 LEU 54 3.537 -4.428 -8.676 451 H ASP 55 H ASP 55 -0.374 -6.966 -6.043 452 HA ASP 55 HA ASP 55 -2.311 -4.877 -6.280 453 HB2 ASP 55 2HB ASP 55 -2.338 -7.117 -7.471 454 HB3 ASP 55 1HB ASP 55 -2.880 -7.821 -5.949 455 H VAL 56 H VAL 56 -1.428 -7.123 -3.725 456 HA VAL 56 HA VAL 56 -3.700 -6.584 -2.070 457 HB VAL 56 HB VAL 56 -1.026 -7.893 -1.571 458 HG11 VAL 56 1HG1 VAL 56 -1.524 -6.968 0.550 459 HG12 VAL 56 2HG1 VAL 56 -2.195 -8.596 0.636 460 HG13 VAL 56 3HG1 VAL 56 -3.259 -7.218 0.349 461 HG21 VAL 56 3HG2 VAL 56 -3.803 -9.071 -1.372 462 HG22 VAL 56 1HG2 VAL 56 -2.268 -9.914 -1.586 463 HG23 VAL 56 2HG2 VAL 56 -2.961 -8.977 -2.911 464 H VAL 57 H VAL 57 -0.276 -5.592 -1.921 465 HA VAL 57 HA VAL 57 -0.426 -3.949 0.321 466 HB VAL 57 HB VAL 57 1.289 -3.712 -2.166 467 HG11 VAL 57 1HG1 VAL 57 1.346 -1.552 -1.178 468 HG12 VAL 57 2HG1 VAL 57 2.768 -2.371 -0.540 469 HG13 VAL 57 3HG1 VAL 57 1.324 -2.212 0.458 470 HG21 VAL 57 3HG2 VAL 57 2.909 -4.925 -0.938 471 HG22 VAL 57 1HG2 VAL 57 1.395 -5.767 -0.593 472 HG23 VAL 57 2HG2 VAL 57 2.080 -4.654 0.594 473 H LEU 58 H LEU 58 -0.956 -3.141 -3.120 474 HA LEU 58 HA LEU 58 -1.464 -0.399 -2.728 475 HB2 LEU 58 2HB LEU 58 -1.025 -1.411 -4.941 476 HB3 LEU 58 1HB LEU 58 -2.574 -2.248 -4.858 477 HG LEU 58 HG LEU 58 -3.740 -0.055 -4.704 478 HD11 LEU 58 1HD1 LEU 58 -0.895 0.915 -4.700 479 HD12 LEU 58 2HD1 LEU 58 -2.272 1.477 -3.749 480 HD13 LEU 58 3HD1 LEU 58 -2.137 1.919 -5.442 481 HD21 LEU 58 3HD2 LEU 58 -3.374 -1.111 -6.907 482 HD22 LEU 58 1HD2 LEU 58 -1.830 -0.270 -7.049 483 HD23 LEU 58 2HD2 LEU 58 -3.336 0.647 -7.023 484 H ASP 59 H ASP 59 -3.776 -3.079 -3.175 485 HA ASP 59 HA ASP 59 -6.125 -1.639 -2.666 486 HB2 ASP 59 2HB ASP 59 -5.416 -4.541 -2.195 487 HB3 ASP 59 1HB ASP 59 -7.038 -3.903 -1.938 488 H ALA 60 H ALA 60 -3.735 -2.973 -0.472 489 HA ALA 60 HA ALA 60 -5.251 -2.894 1.898 490 HB1 ALA 60 3HB ALA 60 -3.187 -3.181 3.049 491 HB2 ALA 60 1HB ALA 60 -2.270 -2.449 1.735 492 HB3 ALA 60 2HB ALA 60 -3.002 -4.038 1.523 493 H VAL 61 H VAL 61 -2.821 -0.580 0.675 494 HA VAL 61 HA VAL 61 -3.303 1.367 2.672 495 HB VAL 61 HB VAL 61 -1.241 1.403 1.429 496 HG11 VAL 61 1HG1 VAL 61 -1.222 1.943 -0.984 497 HG12 VAL 61 2HG1 VAL 61 -2.974 1.938 -0.999 498 HG13 VAL 61 3HG1 VAL 61 -2.092 0.457 -0.659 499 HG21 VAL 61 3HG2 VAL 61 -2.394 3.589 2.177 500 HG22 VAL 61 1HG2 VAL 61 -2.803 3.810 0.476 501 HG23 VAL 61 2HG2 VAL 61 -1.113 3.736 0.976 502 H GLU 62 H GLU 62 -4.618 0.899 -0.575 503 HA GLU 62 HA GLU 62 -6.069 3.312 -0.747 504 HB2 GLU 62 2HB GLU 62 -5.617 1.778 -2.664 505 HB3 GLU 62 1HB GLU 62 -6.778 0.637 -1.980 506 HG2 GLU 62 2HG GLU 62 -8.553 2.330 -2.129 507 HG3 GLU 62 1HG GLU 62 -7.400 3.496 -2.773 508 H SER 63 H SER 63 -6.933 0.106 0.512 509 HA SER 63 HA SER 63 -9.649 0.651 1.049 510 HB2 SER 63 2HB SER 63 -8.976 -1.626 1.089 511 HB3 SER 63 1HB SER 63 -7.674 -1.302 2.229 512 HG SER 63 HG SER 63 -10.028 -0.467 3.225 513 H THR 64 H THR 64 -6.767 0.843 3.145 514 HA THR 64 HA THR 64 -8.167 1.811 5.425 515 HB THR 64 HB THR 64 -5.250 2.070 4.666 516 HG1 THR 64 HG1 THR 64 -5.069 0.133 5.459 517 HG21 THR 64 3HG2 THR 64 -4.999 2.331 7.179 518 HG22 THR 64 1HG2 THR 64 -6.746 2.569 7.246 519 HG23 THR 64 2HG2 THR 64 -5.735 3.705 6.351 520 H LEU 65 H LEU 65 -5.736 3.618 3.549 521 HA LEU 65 HA LEU 65 -7.253 6.081 4.087 522 HB2 LEU 65 2HB LEU 65 -4.832 5.952 4.739 523 HB3 LEU 65 1HB LEU 65 -4.430 5.791 3.035 524 HG LEU 65 HG LEU 65 -5.665 7.952 2.615 525 HD11 LEU 65 1HD1 LEU 65 -5.969 7.744 5.595 526 HD12 LEU 65 2HD1 LEU 65 -7.115 8.317 4.387 527 HD13 LEU 65 3HD1 LEU 65 -5.776 9.337 4.875 528 HD21 LEU 65 3HD2 LEU 65 -3.876 9.375 3.763 529 HD22 LEU 65 1HD2 LEU 65 -3.286 8.087 2.713 530 HD23 LEU 65 2HD2 LEU 65 -3.277 7.872 4.463 531 H SER 66 H SER 66 -8.841 5.633 2.443 532 HA SER 66 HA SER 66 -8.075 5.306 -0.299 533 HB2 SER 66 2HB SER 66 -10.755 6.371 -0.029 534 HB3 SER 66 1HB SER 66 -10.261 4.747 -0.485 535 HG SER 66 HG SER 66 -11.297 4.441 1.381 536 HA PRO 67 HA PRO 67 -9.117 9.943 -0.592 537 HB2 PRO 67 2HB PRO 67 -9.488 11.380 1.702 538 HB3 PRO 67 1HB PRO 67 -10.793 10.475 0.908 539 HG2 PRO 67 2HG PRO 67 -9.257 9.818 3.358 540 HG3 PRO 67 1HG PRO 67 -10.919 9.402 2.923 541 HD2 PRO 67 2HD PRO 67 -8.671 7.704 2.750 542 HD3 PRO 67 1HD PRO 67 -10.268 7.391 2.040 543 H CYS 68 H CYS 68 -7.058 10.351 -1.307 544 HA CYS 68 HA CYS 68 -5.176 11.505 0.666 545 HB2 CYS 68 2HB CYS 68 -4.137 9.886 -1.641 546 HB3 CYS 68 1HB CYS 68 -3.367 10.270 -0.109 547 HG CYS 68 HG CYS 68 -4.666 8.416 1.033 548 H LYS 69 H LYS 69 -6.614 11.500 -2.482 549 HA LYS 69 HA LYS 69 -4.843 13.273 -3.797 550 HB2 LYS 69 2HB LYS 69 -6.575 11.887 -4.938 551 HB3 LYS 69 1HB LYS 69 -7.812 12.948 -4.266 552 HG2 LYS 69 2HG LYS 69 -6.802 14.875 -5.407 553 HG3 LYS 69 1HG LYS 69 -5.528 13.840 -6.053 554 HD2 LYS 69 2HD LYS 69 -7.218 12.502 -7.255 555 HD3 LYS 69 1HD LYS 69 -8.494 13.539 -6.613 556 HE2 LYS 69 2HE LYS 69 -7.900 14.249 -8.886 557 HE3 LYS 69 1HE LYS 69 -7.442 15.493 -7.723 558 HZ1 LYS 69 3HZ LYS 69 -5.749 14.792 -9.493 559 HZ2 LYS 69 1HZ LYS 69 -5.521 13.409 -8.534 560 HZ3 LYS 69 2HZ LYS 69 -5.215 14.950 -7.888 561 H GLU 70 H GLU 70 -7.481 13.759 -1.552 562 HA GLU 70 HA GLU 70 -7.824 16.553 -2.052 563 HB2 GLU 70 2HB GLU 70 -9.516 15.028 -0.954 564 HB3 GLU 70 1HB GLU 70 -8.498 15.056 0.488 565 HG2 GLU 70 2HG GLU 70 -10.133 16.774 0.801 566 HG3 GLU 70 1HG GLU 70 -8.635 17.600 0.383 567 H HIS 71 H HIS 71 -5.873 14.646 0.191 568 HA HIS 71 HA HIS 71 -4.905 16.955 1.629 569 HB2 HIS 71 2HB HIS 71 -3.991 14.076 1.598 570 HB3 HIS 71 1HB HIS 71 -3.365 15.314 2.688 571 HD1 HIS 71 HD1 HIS 71 -6.261 13.058 2.148 572 HD2 HIS 71 HD2 HIS 71 -5.320 16.294 4.600 573 HE1 HIS 71 HE1 HIS 71 -8.012 13.105 3.977 574 H ASP 72 H ASP 72 -3.511 18.342 0.777 575 HA ASP 72 HA ASP 72 -2.023 17.915 -1.569 576 HB2 ASP 72 2HB ASP 72 -2.624 20.142 -0.525 577 HB3 ASP 72 1HB ASP 72 -1.314 19.868 0.622 578 H VAL 73 H VAL 73 -1.313 17.263 1.792 579 HA VAL 73 HA VAL 73 1.483 16.994 1.632 580 HB VAL 73 HB VAL 73 -0.536 15.613 3.414 581 HG11 VAL 73 1HG1 VAL 73 2.485 15.600 3.383 582 HG12 VAL 73 2HG1 VAL 73 1.381 14.231 3.520 583 HG13 VAL 73 3HG1 VAL 73 1.585 15.338 4.876 584 HG21 VAL 73 3HG2 VAL 73 1.351 17.937 3.912 585 HG22 VAL 73 1HG2 VAL 73 0.161 17.295 5.044 586 HG23 VAL 73 2HG2 VAL 73 -0.370 18.104 3.568 587 H ILE 74 H ILE 74 -1.119 14.610 1.171 588 HA ILE 74 HA ILE 74 0.885 12.703 0.113 589 HB ILE 74 HB ILE 74 -1.971 12.104 0.900 590 HG12 ILE 74 2HG1 ILE 74 0.535 11.749 2.577 591 HG13 ILE 74 1HG1 ILE 74 -0.629 13.052 2.816 592 HG21 ILE 74 1HG2 ILE 74 0.513 10.470 0.321 593 HG22 ILE 74 2HG2 ILE 74 -1.055 10.378 -0.472 594 HG23 ILE 74 3HG2 ILE 74 -0.870 9.796 1.170 595 HD11 ILE 74 3HD1 ILE 74 -1.113 10.083 3.105 596 HD12 ILE 74 1HD1 ILE 74 -2.419 11.267 3.048 597 HD13 ILE 74 2HD1 ILE 74 -1.235 11.322 4.356 598 H GLY 75 H GLY 75 -1.228 15.008 -0.938 599 HA2 GLY 75 2HA GLY 75 -2.753 13.885 -2.963 600 HA3 GLY 75 1HA GLY 75 -2.059 15.504 -3.027 601 H THR 76 H THR 76 -2.323 14.189 -5.366 602 HA THR 76 HA THR 76 -1.116 13.708 -7.262 603 HB THR 76 HB THR 76 1.454 13.843 -5.690 604 HG1 THR 76 HG1 THR 76 1.252 15.931 -5.457 605 HG21 THR 76 3HG2 THR 76 2.258 14.824 -7.800 606 HG22 THR 76 1HG2 THR 76 0.634 14.698 -8.474 607 HG23 THR 76 2HG2 THR 76 1.534 13.237 -8.068 608 H LYS 77 H LYS 77 -0.608 12.031 -4.283 609 HA LYS 77 HA LYS 77 0.853 9.829 -5.216 610 HB2 LYS 77 2HB LYS 77 0.570 10.314 -2.824 611 HB3 LYS 77 1HB LYS 77 -1.151 9.963 -2.958 612 HG2 LYS 77 2HG LYS 77 -0.002 8.001 -2.084 613 HG3 LYS 77 1HG LYS 77 -0.580 7.651 -3.701 614 HD2 LYS 77 2HD LYS 77 1.565 7.801 -4.657 615 HD3 LYS 77 1HD LYS 77 2.207 8.715 -3.288 616 HE2 LYS 77 2HE LYS 77 2.076 6.743 -1.873 617 HE3 LYS 77 1HE LYS 77 1.285 5.831 -3.157 618 HZ1 LYS 77 3HZ LYS 77 3.953 5.931 -2.713 619 HZ2 LYS 77 1HZ LYS 77 3.753 7.044 -3.977 620 HZ3 LYS 77 2HZ LYS 77 3.215 5.443 -4.163 621 H VAL 78 H VAL 78 -2.634 10.382 -4.910 622 HA VAL 78 HA VAL 78 -3.538 7.863 -5.719 623 HB VAL 78 HB VAL 78 -4.768 10.593 -6.176 624 HG11 VAL 78 1HG1 VAL 78 -5.863 7.780 -6.455 625 HG12 VAL 78 2HG1 VAL 78 -5.848 9.054 -7.676 626 HG13 VAL 78 3HG1 VAL 78 -6.906 9.191 -6.271 627 HG21 VAL 78 3HG2 VAL 78 -6.197 9.707 -4.194 628 HG22 VAL 78 1HG2 VAL 78 -4.568 10.289 -3.856 629 HG23 VAL 78 2HG2 VAL 78 -4.887 8.556 -3.949 630 H CYS 79 H CYS 79 -2.768 10.739 -7.668 631 HA CYS 79 HA CYS 79 -3.474 9.632 -10.172 632 HB2 CYS 79 2HB CYS 79 -1.519 11.819 -9.431 633 HB3 CYS 79 1HB CYS 79 -1.965 11.423 -11.090 634 HG CYS 79 HG CYS 79 -4.534 11.902 -10.221 635 H ALA 80 H ALA 80 -0.425 9.686 -8.364 636 HA ALA 80 HA ALA 80 1.178 8.504 -10.377 637 HB1 ALA 80 3HB ALA 80 2.307 9.588 -8.591 638 HB2 ALA 80 1HB ALA 80 2.648 7.870 -8.386 639 HB3 ALA 80 2HB ALA 80 1.434 8.653 -7.374 640 H LEU 81 H LEU 81 -0.716 7.136 -7.713 641 HA LEU 81 HA LEU 81 0.111 4.454 -8.054 642 HB2 LEU 81 2HB LEU 81 -2.407 5.653 -6.879 643 HB3 LEU 81 1HB LEU 81 -2.038 3.935 -6.823 644 HG LEU 81 HG LEU 81 -0.166 6.074 -5.770 645 HD11 LEU 81 1HD1 LEU 81 -0.960 5.272 -3.513 646 HD12 LEU 81 2HD1 LEU 81 -2.253 4.406 -4.345 647 HD13 LEU 81 3HD1 LEU 81 -2.177 6.163 -4.429 648 HD21 LEU 81 3HD2 LEU 81 -0.161 3.078 -5.883 649 HD22 LEU 81 1HD2 LEU 81 0.502 3.841 -4.447 650 HD23 LEU 81 2HD2 LEU 81 1.174 4.214 -6.024 651 H LEU 82 H LEU 82 -2.589 6.299 -9.403 652 HA LEU 82 HA LEU 82 -3.831 4.150 -10.748 653 HB2 LEU 82 2HB LEU 82 -3.824 7.125 -11.289 654 HB3 LEU 82 1HB LEU 82 -4.835 5.984 -12.166 655 HG LEU 82 HG LEU 82 -4.843 6.191 -9.146 656 HD11 LEU 82 1HD1 LEU 82 -6.944 7.490 -9.420 657 HD12 LEU 82 2HD1 LEU 82 -6.673 7.525 -11.162 658 HD13 LEU 82 3HD1 LEU 82 -5.551 8.348 -10.081 659 HD21 LEU 82 3HD2 LEU 82 -7.228 5.204 -9.720 660 HD22 LEU 82 1HD2 LEU 82 -5.828 4.150 -9.686 661 HD23 LEU 82 2HD2 LEU 82 -6.458 4.729 -11.224 662 H ASP 83 H ASP 83 -1.364 6.473 -11.770 663 HA ASP 83 HA ASP 83 -1.201 5.614 -14.461 664 HB2 ASP 83 2HB ASP 83 0.760 7.016 -12.644 665 HB3 ASP 83 1HB ASP 83 1.111 6.672 -14.337 666 H ARG 84 H ARG 84 0.569 4.652 -11.542 667 HA ARG 84 HA ARG 84 2.308 2.837 -12.883 668 HB2 ARG 84 2HB ARG 84 1.512 3.123 -9.984 669 HB3 ARG 84 1HB ARG 84 2.717 1.966 -10.550 670 HG2 ARG 84 2HG ARG 84 4.053 3.799 -11.502 671 HG3 ARG 84 1HG ARG 84 2.839 4.964 -10.973 672 HD2 ARG 84 2HD ARG 84 3.222 4.311 -8.629 673 HD3 ARG 84 1HD ARG 84 4.430 3.143 -9.151 674 HE ARG 84 HE ARG 84 5.268 5.548 -10.203 675 HH11 ARG 84 1HH2 ARG 84 4.461 4.300 -7.080 676 HH12 ARG 84 2HH2 ARG 84 5.564 5.331 -6.230 677 HH21 ARG 84 1HH1 ARG 84 6.718 6.903 -9.097 678 HH22 ARG 84 2HH1 ARG 84 6.842 6.803 -7.372 679 H LEU 85 H LEU 85 -0.796 2.512 -11.235 680 HA LEU 85 HA LEU 85 -0.927 -0.287 -11.199 681 HB2 LEU 85 2HB LEU 85 -2.459 1.161 -9.911 682 HB3 LEU 85 1HB LEU 85 -3.200 1.708 -11.413 683 HG LEU 85 HG LEU 85 -3.848 -0.642 -11.928 684 HD11 LEU 85 1HD1 LEU 85 -3.701 -2.136 -9.728 685 HD12 LEU 85 2HD1 LEU 85 -2.312 -1.107 -9.389 686 HD13 LEU 85 3HD1 LEU 85 -2.363 -2.072 -10.866 687 HD21 LEU 85 3HD2 LEU 85 -5.548 -0.859 -10.109 688 HD22 LEU 85 1HD2 LEU 85 -5.470 0.763 -10.796 689 HD23 LEU 85 2HD2 LEU 85 -4.723 0.431 -9.235 690 H ALA 86 H ALA 86 -2.038 2.075 -13.608 691 HA ALA 86 HA ALA 86 -2.900 -0.055 -15.413 692 HB1 ALA 86 3HB ALA 86 -4.167 2.106 -15.151 693 HB2 ALA 86 1HB ALA 86 -3.727 1.716 -16.814 694 HB3 ALA 86 2HB ALA 86 -2.808 2.927 -15.920 695 H GLY 87 H GLY 87 -0.443 2.519 -15.316 696 HA2 GLY 87 2HA GLY 87 0.720 1.918 -17.827 697 HA3 GLY 87 1HA GLY 87 1.477 2.843 -16.534 698 H ASP 88 H ASP 88 2.365 1.545 -14.697 699 HA ASP 88 HA ASP 88 2.964 -1.236 -15.118 700 HB2 ASP 88 2HB ASP 88 4.510 -0.013 -16.724 701 HB3 ASP 88 1HB ASP 88 5.305 0.659 -15.302 702 H TYR 89 H TYR 89 4.474 -2.058 -13.421 703 HA TYR 89 HA TYR 89 4.526 -0.332 -11.012 704 HB2 TYR 89 2HB TYR 89 3.872 -2.314 -9.666 705 HB3 TYR 89 1HB TYR 89 2.601 -1.801 -10.778 706 HD1 TYR 89 HD1 TYR 89 5.405 -4.227 -10.368 707 HD2 TYR 89 HD2 TYR 89 1.782 -3.269 -12.454 708 HE1 TYR 89 HE1 TYR 89 5.420 -6.465 -11.401 709 HE2 TYR 89 HE2 TYR 89 1.790 -5.518 -13.493 710 HH TYR 89 HH TYR 89 4.352 -7.438 -13.702 711 H VAL 90 H VAL 90 6.239 -0.663 -9.640 712 HA VAL 90 HA VAL 90 8.684 -1.438 -10.690 713 HB VAL 90 HB VAL 90 9.399 -1.600 -8.237 714 HG11 VAL 90 1HG1 VAL 90 9.180 0.819 -7.917 715 HG12 VAL 90 2HG1 VAL 90 7.892 0.881 -9.122 716 HG13 VAL 90 3HG1 VAL 90 9.538 0.473 -9.609 717 HG21 VAL 90 3HG2 VAL 90 6.534 -0.684 -7.840 718 HG22 VAL 90 1HG2 VAL 90 7.761 -0.847 -6.587 719 HG23 VAL 90 2HG2 VAL 90 7.143 -2.277 -7.406 720 H TYR 91 H TYR 91 9.726 -3.321 -10.948 721 HA TYR 91 HA TYR 91 8.307 -5.789 -10.306 722 HB2 TYR 91 2HB TYR 91 10.949 -5.349 -11.718 723 HB3 TYR 91 1HB TYR 91 10.066 -6.873 -11.617 724 HD1 TYR 91 HD2 TYR 91 7.795 -7.072 -12.674 725 HD2 TYR 91 HD1 TYR 91 10.324 -3.653 -13.280 726 HE1 TYR 91 HE2 TYR 91 6.443 -6.421 -14.649 727 HE2 TYR 91 HE1 TYR 91 8.971 -3.003 -15.255 728 HH TYR 91 HH TYR 91 7.384 -3.688 -16.700 729 H LEU 92 H LEU 92 9.030 -7.378 -8.923 730 HA LEU 92 HA LEU 92 11.250 -6.626 -7.124 731 HB2 LEU 92 2HB LEU 92 9.218 -6.504 -5.891 732 HB3 LEU 92 1HB LEU 92 8.652 -8.033 -6.551 733 HG LEU 92 HG LEU 92 11.299 -8.200 -5.186 734 HD11 LEU 92 1HD1 LEU 92 10.042 -8.305 -2.935 735 HD12 LEU 92 2HD1 LEU 92 8.813 -7.330 -3.735 736 HD13 LEU 92 3HD1 LEU 92 10.465 -6.729 -3.587 737 HD21 LEU 92 3HD2 LEU 92 9.745 -10.084 -6.097 738 HD22 LEU 92 1HD2 LEU 92 8.783 -9.782 -4.657 739 HD23 LEU 92 2HD2 LEU 92 10.458 -10.304 -4.503 740 H PHE 93 H PHE 93 12.841 -8.035 -6.762 741 HA PHE 93 HA PHE 93 12.491 -10.870 -7.384 742 HB2 PHE 93 2HB PHE 93 14.398 -10.919 -8.975 743 HB3 PHE 93 1HB PHE 93 13.013 -10.028 -9.598 744 HD1 PHE 93 HD2 PHE 93 12.984 -7.493 -9.391 745 HD2 PHE 93 HD1 PHE 93 16.500 -9.855 -8.696 746 HE1 PHE 93 HE2 PHE 93 14.393 -5.475 -9.668 747 HE2 PHE 93 HE1 PHE 93 17.914 -7.835 -8.962 748 HZ PHE 93 HZ PHE 93 16.862 -5.647 -9.453 749 H ASP 94 H ASP 94 14.521 -12.106 -6.909 750 HA ASP 94 HA ASP 94 15.547 -11.262 -4.374 751 HB2 ASP 94 2HB ASP 94 15.119 -13.668 -5.227 752 HB3 ASP 94 1HB ASP 94 16.683 -13.518 -6.020 753 H GLU 95 H GLU 95 18.221 -12.287 -4.633 754 HA GLU 95 HA GLU 95 19.582 -9.902 -5.334 755 HB2 GLU 95 2HB GLU 95 20.570 -12.705 -4.766 756 HB3 GLU 95 1HB GLU 95 21.640 -11.327 -5.030 757 HG2 GLU 95 2HG GLU 95 20.615 -10.138 -3.144 758 HG3 GLU 95 1HG GLU 95 19.494 -11.474 -2.895 759 H GLY 96 H GLY 96 19.549 -13.129 -6.865 760 HA2 GLY 96 2HA GLY 96 21.111 -12.405 -9.105 761 HA3 GLY 96 1HA GLY 96 20.043 -13.800 -9.009 762 H GLY 97 H GLY 97 18.031 -13.715 -9.937 763 HA2 GLY 97 2HA GLY 97 16.832 -11.238 -10.796 764 HA3 GLY 97 1HA GLY 97 17.505 -12.178 -12.125 765 H ASP 98 H ASP 98 16.315 -13.871 -9.357 766 HA ASP 98 HA ASP 98 14.215 -15.085 -10.991 767 HB2 ASP 98 2HB ASP 98 15.302 -15.708 -8.239 768 HB3 ASP 98 1HB ASP 98 13.964 -16.582 -8.980 769 H GLU 99 H GLU 99 12.292 -14.128 -11.052 770 HA GLU 99 HA GLU 99 11.398 -12.271 -9.060 771 HB2 GLU 99 2HB GLU 99 9.896 -13.592 -11.339 772 HB3 GLU 99 1HB GLU 99 9.307 -12.236 -10.382 773 HG2 GLU 99 2HG GLU 99 10.242 -11.138 -12.224 774 HG3 GLU 99 1HG GLU 99 11.565 -11.090 -11.069 775 H VAL 100 H VAL 100 11.376 -13.427 -7.106 776 HA VAL 100 HA VAL 100 8.916 -14.814 -6.574 777 HB VAL 100 HB VAL 100 10.398 -16.603 -7.579 778 HG11 VAL 100 1HG1 VAL 100 12.474 -15.619 -6.421 779 HG12 VAL 100 2HG1 VAL 100 12.306 -17.374 -6.395 780 HG13 VAL 100 3HG1 VAL 100 11.897 -16.426 -4.965 781 HG21 VAL 100 3HG2 VAL 100 9.840 -18.247 -5.833 782 HG22 VAL 100 1HG2 VAL 100 8.512 -17.105 -6.043 783 HG23 VAL 100 2HG2 VAL 100 9.607 -16.942 -4.669 784 H ILE 101 H ILE 101 8.414 -14.783 -4.420 785 HA ILE 101 HA ILE 101 9.703 -12.948 -2.733 786 HB ILE 101 HB ILE 101 7.818 -15.220 -2.064 787 HG12 ILE 101 2HG1 ILE 101 6.217 -13.247 -1.863 788 HG13 ILE 101 1HG1 ILE 101 7.475 -12.251 -2.589 789 HG21 ILE 101 1HG2 ILE 101 8.924 -12.967 -0.391 790 HG22 ILE 101 2HG2 ILE 101 8.933 -14.693 -0.038 791 HG23 ILE 101 3HG2 ILE 101 7.419 -13.791 0.015 792 HD11 ILE 101 3HD1 ILE 101 6.681 -14.798 -3.980 793 HD12 ILE 101 1HD1 ILE 101 7.297 -13.291 -4.658 794 HD13 ILE 101 2HD1 ILE 101 5.633 -13.398 -4.106 795 H ALA 102 H ALA 102 11.384 -13.092 -1.378 796 HA ALA 102 HA ALA 102 12.241 -15.646 -0.320 797 HB1 ALA 102 3HB ALA 102 14.001 -16.016 -1.707 798 HB2 ALA 102 1HB ALA 102 14.583 -14.359 -1.500 799 HB3 ALA 102 2HB ALA 102 13.380 -14.726 -2.724 800 HA PRO 103 HA PRO 103 13.889 -13.551 3.151 801 HB2 PRO 103 2HB PRO 103 16.699 -14.134 2.275 802 HB3 PRO 103 1HB PRO 103 15.929 -14.438 3.828 803 HG2 PRO 103 2HG PRO 103 16.351 -16.410 2.102 804 HG3 PRO 103 1HG PRO 103 14.875 -16.359 3.087 805 HD2 PRO 103 2HD PRO 103 15.226 -15.767 0.197 806 HD3 PRO 103 1HD PRO 103 13.820 -16.442 1.038 807 H ARG 104 H ARG 104 15.692 -12.862 0.174 808 HA ARG 104 HA ARG 104 16.345 -10.154 1.102 809 HB2 ARG 104 2HB ARG 104 17.033 -11.609 -1.465 810 HB3 ARG 104 1HB ARG 104 17.603 -10.004 -1.021 811 HG2 ARG 104 2HG ARG 104 19.384 -11.217 -0.190 812 HG3 ARG 104 1HG ARG 104 18.342 -11.321 1.223 813 HD2 ARG 104 2HD ARG 104 17.399 -13.460 0.192 814 HD3 ARG 104 1HD ARG 104 18.711 -13.387 -0.943 815 HE ARG 104 HE ARG 104 19.755 -13.159 1.663 816 HH11 ARG 104 1HH2 ARG 104 18.199 -15.401 -0.464 817 HH12 ARG 104 2HH2 ARG 104 18.931 -16.798 0.248 818 HH21 ARG 104 1HH1 ARG 104 20.719 -14.988 2.603 819 HH22 ARG 104 2HH1 ARG 104 20.359 -16.565 1.986 820 H MET 105 H MET 105 15.030 -8.513 0.727 821 HA MET 105 HA MET 105 12.979 -8.773 -1.387 822 HB2 MET 105 2HB MET 105 13.136 -7.010 1.068 823 HB3 MET 105 1HB MET 105 11.878 -6.890 -0.156 824 HG2 MET 105 2HG MET 105 12.516 -9.443 1.345 825 HG3 MET 105 1HG MET 105 11.253 -8.318 1.830 826 HE1 MET 105 3HE MET 105 9.638 -7.320 -0.495 827 HE2 MET 105 1HE MET 105 9.115 -8.104 1.002 828 HE3 MET 105 2HE MET 105 8.464 -8.627 -0.545 829 H TYR 106 H TYR 106 12.812 -7.326 -3.019 830 HA TYR 106 HA TYR 106 14.241 -4.821 -3.006 831 HB2 TYR 106 2HB TYR 106 16.079 -6.352 -3.564 832 HB3 TYR 106 1HB TYR 106 15.133 -7.006 -4.901 833 HD1 TYR 106 HD1 TYR 106 16.866 -3.993 -3.616 834 HD2 TYR 106 HD2 TYR 106 14.859 -5.786 -6.957 835 HE1 TYR 106 HE1 TYR 106 17.667 -2.157 -5.080 836 HE2 TYR 106 HE2 TYR 106 15.658 -3.949 -8.433 837 HH TYR 106 HH TYR 106 18.070 -1.725 -7.427 838 H CYS 107 H CYS 107 12.324 -3.823 -3.524 839 HA CYS 107 HA CYS 107 11.046 -4.597 -6.081 840 HB2 CYS 107 2HB CYS 107 9.744 -4.570 -3.829 841 HB3 CYS 107 1HB CYS 107 9.743 -2.827 -4.052 842 HG CYS 107 HG CYS 107 8.101 -4.822 -5.673 843 H SER 108 H SER 108 11.511 -3.327 -7.734 844 HA SER 108 HA SER 108 11.353 -0.466 -7.530 845 HB2 SER 108 2HB SER 108 13.599 -0.697 -6.644 846 HB3 SER 108 1HB SER 108 14.059 -1.744 -7.982 847 HG SER 108 HG SER 108 14.182 0.880 -7.868 848 H PHE 109 H PHE 109 12.031 0.553 -9.691 849 HA PHE 109 HA PHE 109 10.595 -0.678 -11.780 850 HB2 PHE 109 2HB PHE 109 12.629 1.555 -11.815 851 HB3 PHE 109 1HB PHE 109 11.669 1.081 -13.215 852 HD1 PHE 109 HD2 PHE 109 9.148 1.188 -13.084 853 HD2 PHE 109 HD1 PHE 109 11.695 2.884 -10.069 854 HE1 PHE 109 HE2 PHE 109 7.254 2.555 -12.253 855 HE2 PHE 109 HE1 PHE 109 9.801 4.251 -9.238 856 HZ PHE 109 HZ PHE 109 7.580 4.087 -10.330 857 H SER 110 H SER 110 14.084 -0.429 -11.163 858 HA SER 110 HA SER 110 15.248 -1.450 -13.369 859 HB2 SER 110 2HB SER 110 15.797 -2.312 -10.524 860 HB3 SER 110 1HB SER 110 16.872 -2.622 -11.886 861 HG SER 110 HG SER 110 17.291 -0.502 -12.053 862 H ALA 111 H ALA 111 15.905 -3.614 -14.020 863 HA ALA 111 HA ALA 111 13.760 -5.578 -13.529 864 HB1 ALA 111 3HB ALA 111 15.401 -6.219 -15.833 865 HB2 ALA 111 1HB ALA 111 14.836 -4.557 -15.935 866 HB3 ALA 111 2HB ALA 111 13.674 -5.866 -15.768 867 HA PRO 112 HA PRO 112 16.261 -8.765 -11.875 868 HB2 PRO 112 2HB PRO 112 16.103 -10.277 -14.463 869 HB3 PRO 112 1HB PRO 112 15.738 -10.822 -12.821 870 HG2 PRO 112 2HG PRO 112 13.799 -10.239 -14.549 871 HG3 PRO 112 1HG PRO 112 13.640 -9.880 -12.820 872 HD2 PRO 112 2HD PRO 112 14.107 -8.017 -15.086 873 HD3 PRO 112 1HD PRO 112 13.297 -7.727 -13.534 874 H ASP 113 H ASP 113 17.081 -8.112 -15.282 875 HA ASP 113 HA ASP 113 19.923 -8.594 -14.718 876 HB2 ASP 113 2HB ASP 113 20.180 -8.370 -17.183 877 HB3 ASP 113 1HB ASP 113 19.097 -9.678 -16.709 878 H ASP 114 H ASP 114 17.677 -6.083 -15.560 879 HA ASP 114 HA ASP 114 17.898 -3.781 -15.748 880 HB2 ASP 114 2HB ASP 114 18.525 -4.119 -13.363 881 HB3 ASP 114 1HB ASP 114 20.213 -4.244 -13.854 Start of MODEL 8 1 HA2 GLY 1 2HA GLY 1 27.398 -32.645 30.377 2 HA3 GLY 1 1HA GLY 1 27.079 -30.916 30.251 3 H LYS 2 H LYS 2 25.537 -32.865 28.911 4 HA LYS 2 HA LYS 2 26.394 -33.206 26.209 5 HB2 LYS 2 2HB LYS 2 24.489 -34.409 27.670 6 HB3 LYS 2 1HB LYS 2 23.467 -33.190 26.911 7 HG2 LYS 2 2HG LYS 2 25.291 -35.111 25.427 8 HG3 LYS 2 1HG LYS 2 23.542 -35.280 25.576 9 HD2 LYS 2 2HD LYS 2 23.378 -32.945 24.535 10 HD3 LYS 2 1HD LYS 2 25.087 -33.114 24.149 11 HE2 LYS 2 2HE LYS 2 24.645 -35.138 22.878 12 HE3 LYS 2 1HE LYS 2 22.935 -35.044 23.291 13 HZ1 LYS 2 3HZ LYS 2 24.511 -33.269 21.542 14 HZ2 LYS 2 1HZ LYS 2 23.074 -32.722 22.258 15 HZ3 LYS 2 2HZ LYS 2 23.046 -34.062 21.215 16 H LYS 3 H LYS 3 26.527 -31.680 24.705 17 HA LYS 3 HA LYS 3 25.919 -29.033 24.899 18 HB2 LYS 3 2HB LYS 3 25.859 -30.821 22.465 19 HB3 LYS 3 1HB LYS 3 25.720 -29.065 22.373 20 HG2 LYS 3 2HG LYS 3 27.881 -28.812 23.510 21 HG3 LYS 3 1HG LYS 3 28.021 -30.565 23.660 22 HD2 LYS 3 2HD LYS 3 27.965 -30.765 21.187 23 HD3 LYS 3 1HD LYS 3 27.887 -29.008 21.060 24 HE2 LYS 3 2HE LYS 3 30.120 -30.495 22.469 25 HE3 LYS 3 1HE LYS 3 30.210 -29.946 20.795 26 HZ1 LYS 3 3HZ LYS 3 31.123 -28.178 21.890 27 HZ2 LYS 3 1HZ LYS 3 30.155 -28.371 23.270 28 HZ3 LYS 3 2HZ LYS 3 29.495 -27.693 21.859 29 H VAL 4 H VAL 4 24.231 -27.796 23.613 30 HA VAL 4 HA VAL 4 22.004 -27.121 23.767 31 HB VAL 4 HB VAL 4 20.597 -28.436 22.225 32 HG11 VAL 4 1HG1 VAL 4 23.479 -28.115 21.358 33 HG12 VAL 4 2HG1 VAL 4 22.213 -26.889 21.266 34 HG13 VAL 4 3HG1 VAL 4 22.118 -28.337 20.259 35 HG21 VAL 4 3HG2 VAL 4 22.906 -30.399 22.088 36 HG22 VAL 4 1HG2 VAL 4 21.341 -30.537 21.309 37 HG23 VAL 4 2HG2 VAL 4 21.462 -30.697 23.051 38 H GLU 5 H GLU 5 19.726 -28.970 23.627 39 HA GLU 5 HA GLU 5 19.841 -30.351 26.222 40 HB2 GLU 5 2HB GLU 5 17.808 -28.254 25.424 41 HB3 GLU 5 1HB GLU 5 17.620 -29.344 26.798 42 HG2 GLU 5 2HG GLU 5 19.957 -27.448 26.425 43 HG3 GLU 5 1HG GLU 5 18.562 -27.115 27.441 44 H PHE 6 H PHE 6 18.647 -32.177 26.324 45 HA PHE 6 HA PHE 6 17.902 -33.543 24.038 46 HB2 PHE 6 2HB PHE 6 16.895 -33.819 26.877 47 HB3 PHE 6 1HB PHE 6 16.520 -34.971 25.595 48 HD1 PHE 6 HD2 PHE 6 18.345 -36.264 24.496 49 HD2 PHE 6 HD1 PHE 6 19.070 -33.736 27.894 50 HE1 PHE 6 HE2 PHE 6 20.527 -37.384 24.862 51 HE2 PHE 6 HE1 PHE 6 21.253 -34.856 28.259 52 HZ PHE 6 HZ PHE 6 21.982 -36.678 26.743 53 H ASN 7 H ASN 7 16.045 -33.769 22.859 54 HA ASN 7 HA ASN 7 14.007 -33.217 21.958 55 HB2 ASN 7 2HB ASN 7 13.260 -34.049 24.227 56 HB3 ASN 7 1HB ASN 7 13.229 -32.367 24.749 57 HD21 ASN 7 1HD2 ASN 7 12.461 -32.177 21.549 58 HD22 ASN 7 2HD2 ASN 7 10.769 -32.288 21.653 59 H ASP 8 H ASP 8 15.033 -31.485 20.796 60 HA ASP 8 HA ASP 8 14.354 -28.783 21.841 61 HB2 ASP 8 2HB ASP 8 16.651 -29.711 20.118 62 HB3 ASP 8 1HB ASP 8 16.181 -28.017 20.249 63 H LYS 9 H LYS 9 12.536 -30.508 20.435 64 HA LYS 9 HA LYS 9 12.129 -28.819 18.077 65 HB2 LYS 9 2HB LYS 9 12.464 -31.746 18.181 66 HB3 LYS 9 1HB LYS 9 10.994 -31.274 17.337 67 HG2 LYS 9 2HG LYS 9 12.509 -31.213 15.576 68 HG3 LYS 9 1HG LYS 9 12.628 -29.548 16.113 69 HD2 LYS 9 2HD LYS 9 14.586 -30.131 17.502 70 HD3 LYS 9 1HD LYS 9 14.471 -31.803 16.955 71 HE2 LYS 9 2HE LYS 9 16.147 -30.590 15.641 72 HE3 LYS 9 1HE LYS 9 14.781 -31.049 14.626 73 HZ1 LYS 9 3HZ LYS 9 13.911 -28.869 14.731 74 HZ2 LYS 9 1HZ LYS 9 15.557 -28.706 14.364 75 HZ3 LYS 9 2HZ LYS 9 15.005 -28.403 15.942 76 HA PRO 10 HA PRO 10 8.034 -28.404 19.511 77 HB2 PRO 10 2HB PRO 10 6.619 -28.026 17.219 78 HB3 PRO 10 1HB PRO 10 7.745 -26.816 17.857 79 HG2 PRO 10 2HG PRO 10 8.144 -28.787 15.650 80 HG3 PRO 10 1HG PRO 10 8.685 -27.106 15.774 81 HD2 PRO 10 2HD PRO 10 10.318 -29.281 16.263 82 HD3 PRO 10 1HD PRO 10 10.574 -27.662 16.954 83 H LYS 11 H LYS 11 7.073 -29.880 16.528 84 HA LYS 11 HA LYS 11 5.911 -31.795 16.015 85 HB2 LYS 11 2HB LYS 11 7.953 -32.797 17.233 86 HB3 LYS 11 1HB LYS 11 6.885 -32.956 18.625 87 HG2 LYS 11 2HG LYS 11 5.346 -34.342 17.366 88 HG3 LYS 11 1HG LYS 11 6.273 -34.092 15.888 89 HD2 LYS 11 2HD LYS 11 8.224 -35.197 16.922 90 HD3 LYS 11 1HD LYS 11 7.282 -35.470 18.390 91 HE2 LYS 11 2HE LYS 11 6.449 -36.485 15.660 92 HE3 LYS 11 1HE LYS 11 7.360 -37.451 16.823 93 HZ1 LYS 11 3HZ LYS 11 4.975 -37.850 16.983 94 HZ2 LYS 11 1HZ LYS 11 4.709 -36.209 17.322 95 HZ3 LYS 11 2HZ LYS 11 5.581 -37.171 18.417 96 H VAL 12 H VAL 12 5.746 -31.800 19.579 97 HA VAL 12 HA VAL 12 2.985 -32.412 19.660 98 HB VAL 12 HB VAL 12 3.140 -31.988 22.032 99 HG11 VAL 12 1HG1 VAL 12 4.378 -33.963 20.978 100 HG12 VAL 12 2HG1 VAL 12 4.917 -33.485 22.589 101 HG13 VAL 12 3HG1 VAL 12 5.852 -33.013 21.170 102 HG21 VAL 12 3HG2 VAL 12 5.433 -31.024 22.846 103 HG22 VAL 12 1HG2 VAL 12 4.212 -29.908 22.240 104 HG23 VAL 12 2HG2 VAL 12 5.561 -30.380 21.208 105 H ARG 13 H ARG 13 4.778 -29.383 19.687 106 HA ARG 13 HA ARG 13 2.476 -27.747 20.253 107 HB2 ARG 13 2HB ARG 13 5.257 -27.093 19.267 108 HB3 ARG 13 1HB ARG 13 4.023 -25.871 19.580 109 HG2 ARG 13 2HG ARG 13 3.827 -26.698 21.917 110 HG3 ARG 13 1HG ARG 13 5.111 -27.861 21.589 111 HD2 ARG 13 2HD ARG 13 6.664 -26.032 21.071 112 HD3 ARG 13 1HD ARG 13 5.387 -24.855 21.360 113 HE ARG 13 HE ARG 13 5.813 -26.585 23.619 114 HH11 ARG 13 1HH2 ARG 13 6.932 -23.792 21.909 115 HH12 ARG 13 2HH2 ARG 13 7.646 -23.054 23.303 116 HH21 ARG 13 1HH1 ARG 13 6.746 -25.621 25.452 117 HH22 ARG 13 2HH1 ARG 13 7.540 -24.089 25.308 118 H LYS 14 H LYS 14 1.728 -26.055 18.726 119 HA LYS 14 HA LYS 14 0.717 -27.147 16.362 120 HB2 LYS 14 2HB LYS 14 1.148 -24.252 17.142 121 HB3 LYS 14 1HB LYS 14 0.209 -24.774 15.744 122 HG2 LYS 14 2HG LYS 14 -1.292 -26.057 17.209 123 HG3 LYS 14 1HG LYS 14 -0.347 -25.566 18.617 124 HD2 LYS 14 2HD LYS 14 -0.876 -23.205 18.164 125 HD3 LYS 14 1HD LYS 14 -1.807 -23.678 16.743 126 HE2 LYS 14 2HE LYS 14 -3.333 -24.985 18.172 127 HE3 LYS 14 1HE LYS 14 -2.400 -24.522 19.596 128 HZ1 LYS 14 3HZ LYS 14 -4.343 -23.113 19.304 129 HZ2 LYS 14 1HZ LYS 14 -3.798 -22.649 17.765 130 HZ3 LYS 14 2HZ LYS 14 -2.912 -22.212 19.146 131 H ILE 15 H ILE 15 1.350 -27.108 14.245 132 HA ILE 15 HA ILE 15 4.094 -26.102 13.678 133 HB ILE 15 HB ILE 15 2.691 -28.428 12.353 134 HG12 ILE 15 2HG1 ILE 15 3.172 -28.937 14.709 135 HG13 ILE 15 1HG1 ILE 15 4.304 -29.802 13.668 136 HG21 ILE 15 1HG2 ILE 15 5.006 -28.861 11.519 137 HG22 ILE 15 2HG2 ILE 15 5.532 -27.359 12.279 138 HG23 ILE 15 3HG2 ILE 15 4.374 -27.316 10.951 139 HD11 ILE 15 3HD1 ILE 15 5.750 -28.909 15.262 140 HD12 ILE 15 1HD1 ILE 15 4.801 -27.452 15.465 141 HD13 ILE 15 2HD1 ILE 15 5.819 -27.644 14.047 142 HA PRO 16 HA PRO 16 1.183 -23.557 11.146 143 HB2 PRO 16 2HB PRO 16 3.674 -21.895 11.088 144 HB3 PRO 16 1HB PRO 16 1.998 -21.404 11.419 145 HG2 PRO 16 2HG PRO 16 3.805 -21.603 13.379 146 HG3 PRO 16 1HG PRO 16 2.111 -22.066 13.634 147 HD2 PRO 16 2HD PRO 16 4.507 -23.823 13.241 148 HD3 PRO 16 1HD PRO 16 3.077 -24.064 14.259 149 H SER 17 H SER 17 1.090 -23.382 8.930 150 HA SER 17 HA SER 17 3.389 -24.469 7.391 151 HB2 SER 17 2HB SER 17 0.426 -24.628 6.810 152 HB3 SER 17 1HB SER 17 1.700 -25.176 5.726 153 HG SER 17 HG SER 17 1.089 -26.112 8.334 154 H THR 18 H THR 18 2.450 -21.625 8.211 155 HA THR 18 HA THR 18 2.659 -20.476 5.475 156 HB THR 18 HB THR 18 0.922 -18.996 5.845 157 HG1 THR 18 HG1 THR 18 1.531 -17.929 7.609 158 HG21 THR 18 3HG2 THR 18 0.168 -21.182 7.809 159 HG22 THR 18 1HG2 THR 18 0.057 -21.342 6.050 160 HG23 THR 18 2HG2 THR 18 -0.937 -20.151 6.890 161 H ARG 19 H ARG 19 3.391 -18.174 5.539 162 HA ARG 19 HA ARG 19 5.227 -17.641 7.810 163 HB2 ARG 19 2HB ARG 19 5.868 -17.485 4.859 164 HB3 ARG 19 1HB ARG 19 6.877 -16.798 6.131 165 HG2 ARG 19 2HG ARG 19 7.130 -19.011 7.158 166 HG3 ARG 19 1HG ARG 19 6.082 -19.716 5.928 167 HD2 ARG 19 2HD ARG 19 7.678 -19.024 4.175 168 HD3 ARG 19 1HD ARG 19 8.726 -18.331 5.408 169 HE ARG 19 HE ARG 19 9.390 -20.492 6.016 170 HH11 ARG 19 1HH2 ARG 19 6.710 -20.518 3.828 171 HH12 ARG 19 2HH2 ARG 19 6.803 -22.220 3.515 172 HH21 ARG 19 1HH1 ARG 19 9.521 -22.723 5.611 173 HH22 ARG 19 2HH1 ARG 19 8.395 -23.468 4.523 174 H LYS 20 H LYS 20 5.970 -15.355 7.837 175 HA LYS 20 HA LYS 20 3.993 -13.498 6.636 176 HB2 LYS 20 2HB LYS 20 4.932 -13.556 9.515 177 HB3 LYS 20 1HB LYS 20 4.012 -12.239 8.784 178 HG2 LYS 20 2HG LYS 20 2.186 -13.798 8.251 179 HG3 LYS 20 1HG LYS 20 3.101 -15.125 8.964 180 HD2 LYS 20 2HD LYS 20 3.069 -14.003 11.143 181 HD3 LYS 20 1HD LYS 20 2.206 -12.633 10.443 182 HE2 LYS 20 2HE LYS 20 0.324 -14.114 9.856 183 HE3 LYS 20 1HE LYS 20 1.185 -15.488 10.550 184 HZ1 LYS 20 3HZ LYS 20 0.292 -14.940 12.488 185 HZ2 LYS 20 1HZ LYS 20 -0.373 -13.515 11.855 186 HZ3 LYS 20 2HZ LYS 20 1.209 -13.510 12.476 187 H ILE 21 H ILE 21 4.785 -11.502 6.063 188 HA ILE 21 HA ILE 21 7.722 -11.100 6.396 189 HB ILE 21 HB ILE 21 7.784 -10.127 4.192 190 HG12 ILE 21 2HG1 ILE 21 5.359 -10.626 2.931 191 HG13 ILE 21 1HG1 ILE 21 4.813 -10.151 4.536 192 HG21 ILE 21 1HG2 ILE 21 7.347 -12.088 2.856 193 HG22 ILE 21 2HG2 ILE 21 6.196 -12.701 4.045 194 HG23 ILE 21 3HG2 ILE 21 7.911 -12.621 4.439 195 HD11 ILE 21 3HD1 ILE 21 6.418 -8.575 2.538 196 HD12 ILE 21 1HD1 ILE 21 6.489 -8.156 4.249 197 HD13 ILE 21 2HD1 ILE 21 4.950 -8.107 3.391 198 H LYS 22 H LYS 22 8.396 -9.104 6.980 199 HA LYS 22 HA LYS 22 6.395 -6.937 7.188 200 HB2 LYS 22 2HB LYS 22 6.851 -8.272 9.391 201 HB3 LYS 22 1HB LYS 22 8.389 -7.407 9.404 202 HG2 LYS 22 2HG LYS 22 7.220 -5.258 9.347 203 HG3 LYS 22 1HG LYS 22 5.667 -6.077 9.210 204 HD2 LYS 22 2HD LYS 22 6.028 -7.135 11.403 205 HD3 LYS 22 1HD LYS 22 7.576 -6.301 11.546 206 HE2 LYS 22 2HE LYS 22 6.420 -4.125 11.415 207 HE3 LYS 22 1HE LYS 22 4.872 -4.956 11.275 208 HZ1 LYS 22 3HZ LYS 22 6.009 -4.188 13.593 209 HZ2 LYS 22 1HZ LYS 22 6.467 -5.820 13.510 210 HZ3 LYS 22 2HZ LYS 22 4.823 -5.395 13.445 211 H ILE 23 H ILE 23 8.677 -7.541 5.370 212 HA ILE 23 HA ILE 23 10.569 -5.385 6.058 213 HB ILE 23 HB ILE 23 10.627 -7.472 3.863 214 HG12 ILE 23 2HG1 ILE 23 12.584 -8.298 5.236 215 HG13 ILE 23 1HG1 ILE 23 12.123 -7.139 6.484 216 HG21 ILE 23 1HG2 ILE 23 11.786 -5.577 3.032 217 HG22 ILE 23 2HG2 ILE 23 13.035 -6.637 3.688 218 HG23 ILE 23 3HG2 ILE 23 12.502 -5.226 4.605 219 HD11 ILE 23 3HD1 ILE 23 9.960 -8.952 5.489 220 HD12 ILE 23 1HD1 ILE 23 10.272 -8.340 7.114 221 HD13 ILE 23 2HD1 ILE 23 11.223 -9.675 6.478 222 H THR 24 H THR 24 10.172 -3.421 5.323 223 HA THR 24 HA THR 24 9.097 -3.081 2.597 224 HB THR 24 HB THR 24 7.126 -2.902 3.983 225 HG1 THR 24 HG1 THR 24 7.087 -1.356 2.460 226 HG21 THR 24 3HG2 THR 24 8.161 -2.549 6.150 227 HG22 THR 24 1HG2 THR 24 7.059 -1.209 5.829 228 HG23 THR 24 2HG2 THR 24 8.799 -0.988 5.633 229 H PHE 25 H PHE 25 9.757 -1.213 1.574 230 HA PHE 25 HA PHE 25 12.073 0.118 2.798 231 HB2 PHE 25 2HB PHE 25 10.947 -0.031 0.002 232 HB3 PHE 25 1HB PHE 25 12.160 1.176 0.425 233 HD1 PHE 25 HD2 PHE 25 14.211 0.213 1.841 234 HD2 PHE 25 HD1 PHE 25 11.720 -2.101 -0.787 235 HE1 PHE 25 HE2 PHE 25 16.008 -1.486 1.626 236 HE2 PHE 25 HE1 PHE 25 13.510 -3.794 -0.997 237 HZ PHE 25 HZ PHE 25 15.656 -3.490 0.207 238 H ALA 26 H ALA 26 12.015 2.102 3.610 239 HA ALA 26 HA ALA 26 9.577 3.750 3.162 240 HB1 ALA 26 3HB ALA 26 9.595 3.399 5.455 241 HB2 ALA 26 1HB ALA 26 10.566 4.868 5.360 242 HB3 ALA 26 2HB ALA 26 11.353 3.303 5.533 243 H LEU 27 H LEU 27 9.928 5.307 1.743 244 HA LEU 27 HA LEU 27 12.258 7.047 2.065 245 HB2 LEU 27 2HB LEU 27 12.615 6.959 -0.457 246 HB3 LEU 27 1HB LEU 27 13.193 5.578 0.469 247 HG LEU 27 HG LEU 27 10.353 5.377 -0.463 248 HD11 LEU 27 1HD1 LEU 27 11.094 4.649 -2.742 249 HD12 LEU 27 2HD1 LEU 27 12.694 5.296 -2.379 250 HD13 LEU 27 3HD1 LEU 27 11.301 6.375 -2.449 251 HD21 LEU 27 3HD2 LEU 27 11.496 3.541 0.721 252 HD22 LEU 27 1HD2 LEU 27 12.737 3.497 -0.527 253 HD23 LEU 27 2HD2 LEU 27 11.074 3.056 -0.917 254 H ASP 28 H ASP 28 10.724 8.584 2.730 255 HA ASP 28 HA ASP 28 9.885 10.446 0.935 256 HB2 ASP 28 2HB ASP 28 8.041 8.140 1.004 257 HB3 ASP 28 1HB ASP 28 7.242 9.699 1.182 258 H ALA 29 H ALA 29 9.456 8.826 3.931 259 HA ALA 29 HA ALA 29 9.180 9.712 6.039 260 HB1 ALA 29 3HB ALA 29 10.121 11.859 4.767 261 HB2 ALA 29 1HB ALA 29 9.454 11.986 6.390 262 HB3 ALA 29 2HB ALA 29 8.473 12.437 4.995 263 H THR 30 H THR 30 6.978 11.708 4.065 264 HA THR 30 HA THR 30 4.778 11.402 5.794 265 HB THR 30 HB THR 30 4.993 12.196 2.884 266 HG1 THR 30 HG1 THR 30 5.485 13.969 3.865 267 HG21 THR 30 3HG2 THR 30 2.591 13.044 3.294 268 HG22 THR 30 1HG2 THR 30 2.561 11.918 4.651 269 HG23 THR 30 2HG2 THR 30 2.792 11.312 3.009 270 H PHE 31 H PHE 31 5.547 9.776 2.703 271 HA PHE 31 HA PHE 31 3.280 8.032 2.847 272 HB2 PHE 31 2HB PHE 31 4.232 8.587 0.688 273 HB3 PHE 31 1HB PHE 31 5.784 7.931 1.173 274 HD1 PHE 31 HD1 PHE 31 2.195 6.916 0.982 275 HD2 PHE 31 HD2 PHE 31 6.316 5.732 0.596 276 HE1 PHE 31 HE1 PHE 31 1.476 4.651 0.236 277 HE2 PHE 31 HE2 PHE 31 5.590 3.472 -0.150 278 HZ PHE 31 HZ PHE 31 3.176 2.933 -0.327 279 H ASP 32 H ASP 32 6.483 8.006 4.144 280 HA ASP 32 HA ASP 32 6.782 5.191 4.485 281 HB2 ASP 32 2HB ASP 32 8.007 7.548 5.932 282 HB3 ASP 32 1HB ASP 32 8.479 5.872 6.211 283 H SER 33 H SER 33 5.756 7.787 6.716 284 HA SER 33 HA SER 33 5.115 6.061 8.877 285 HB2 SER 33 2HB SER 33 5.423 8.331 9.435 286 HB3 SER 33 1HB SER 33 4.335 8.881 8.166 287 HG SER 33 HG SER 33 2.794 7.422 9.497 288 H VAL 34 H VAL 34 3.150 7.528 6.291 289 HA VAL 34 HA VAL 34 0.652 6.510 7.149 290 HB VAL 34 HB VAL 34 1.637 7.225 4.376 291 HG11 VAL 34 1HG1 VAL 34 -0.279 5.839 4.071 292 HG12 VAL 34 2HG1 VAL 34 -0.883 7.496 3.984 293 HG13 VAL 34 3HG1 VAL 34 -1.101 6.555 5.459 294 HG21 VAL 34 3HG2 VAL 34 -0.171 8.800 6.222 295 HG22 VAL 34 1HG2 VAL 34 0.676 9.368 4.782 296 HG23 VAL 34 2HG2 VAL 34 1.582 8.990 6.248 297 H LEU 35 H LEU 35 3.059 5.211 4.880 298 HA LEU 35 HA LEU 35 1.608 2.922 4.138 299 HB2 LEU 35 2HB LEU 35 3.535 3.638 2.845 300 HB3 LEU 35 1HB LEU 35 4.599 3.410 4.233 301 HG LEU 35 HG LEU 35 4.101 0.983 4.220 302 HD11 LEU 35 1HD1 LEU 35 2.890 0.201 2.030 303 HD12 LEU 35 2HD1 LEU 35 2.226 1.834 2.013 304 HD13 LEU 35 3HD1 LEU 35 1.916 0.766 3.383 305 HD21 LEU 35 3HD2 LEU 35 4.863 1.931 1.454 306 HD22 LEU 35 1HD2 LEU 35 5.325 0.419 2.231 307 HD23 LEU 35 2HD2 LEU 35 5.961 1.950 2.836 308 H SER 36 H SER 36 3.910 3.529 6.761 309 HA SER 36 HA SER 36 4.190 0.915 7.700 310 HB2 SER 36 2HB SER 36 5.454 3.027 8.419 311 HB3 SER 36 1HB SER 36 4.101 3.328 9.506 312 HG SER 36 HG SER 36 4.855 0.764 9.685 313 H LYS 37 H LYS 37 1.781 3.403 8.466 314 HA LYS 37 HA LYS 37 0.389 1.696 10.353 315 HB2 LYS 37 2HB LYS 37 -0.330 4.346 9.097 316 HB3 LYS 37 1HB LYS 37 -1.298 3.544 10.331 317 HG2 LYS 37 2HG LYS 37 0.766 3.513 11.797 318 HG3 LYS 37 1HG LYS 37 1.547 4.545 10.599 319 HD2 LYS 37 2HD LYS 37 -1.079 5.231 11.949 320 HD3 LYS 37 1HD LYS 37 0.487 5.804 12.520 321 HE2 LYS 37 2HE LYS 37 0.835 6.702 10.128 322 HE3 LYS 37 1HE LYS 37 -0.893 6.436 9.909 323 HZ1 LYS 37 3HZ LYS 37 -0.206 7.803 12.345 324 HZ2 LYS 37 1HZ LYS 37 -1.405 8.155 11.201 325 HZ3 LYS 37 2HZ LYS 37 0.192 8.659 10.935 326 H ALA 38 H ALA 38 0.328 2.252 6.954 327 HA ALA 38 HA ALA 38 -2.369 1.431 6.477 328 HB1 ALA 38 3HB ALA 38 -0.103 1.284 4.491 329 HB2 ALA 38 1HB ALA 38 -0.881 2.807 4.923 330 HB3 ALA 38 2HB ALA 38 -1.821 1.518 4.173 331 H CYS 39 H CYS 39 0.748 -0.192 6.562 332 HA CYS 39 HA CYS 39 -0.506 -2.750 6.973 333 HB2 CYS 39 2HB CYS 39 -0.775 -2.832 4.626 334 HB3 CYS 39 1HB CYS 39 0.806 -2.113 4.335 335 HG CYS 39 HG CYS 39 0.285 -5.065 4.722 336 H SER 40 H SER 40 2.548 -2.205 5.309 337 HA SER 40 HA SER 40 4.736 -2.477 5.959 338 HB2 SER 40 2HB SER 40 5.230 -1.352 7.877 339 HB3 SER 40 1HB SER 40 3.502 -1.217 8.150 340 HG SER 40 HG SER 40 3.755 -3.447 9.047 341 H GLU 41 H GLU 41 2.215 -4.515 6.813 342 HA GLU 41 HA GLU 41 4.060 -6.774 7.070 343 HB2 GLU 41 2HB GLU 41 3.345 -5.840 9.396 344 HB3 GLU 41 1HB GLU 41 1.773 -6.552 9.029 345 HG2 GLU 41 2HG GLU 41 4.400 -8.074 8.952 346 HG3 GLU 41 1HG GLU 41 3.275 -8.096 10.307 347 H PHE 42 H PHE 42 3.341 -8.557 6.067 348 HA PHE 42 HA PHE 42 0.474 -8.794 5.410 349 HB2 PHE 42 2HB PHE 42 1.505 -7.657 3.489 350 HB3 PHE 42 1HB PHE 42 2.709 -8.941 3.373 351 HD1 PHE 42 HD1 PHE 42 -1.024 -8.572 3.624 352 HD2 PHE 42 HD2 PHE 42 2.285 -10.664 1.847 353 HE1 PHE 42 HE1 PHE 42 -2.601 -9.918 2.263 354 HE2 PHE 42 HE2 PHE 42 0.707 -12.006 0.489 355 HZ PHE 42 HZ PHE 42 -1.736 -11.635 0.695 356 H GLU 43 H GLU 43 -0.236 -10.888 5.104 357 HA GLU 43 HA GLU 43 1.499 -12.953 6.209 358 HB2 GLU 43 2HB GLU 43 -1.407 -12.992 5.364 359 HB3 GLU 43 1HB GLU 43 -0.556 -14.350 6.101 360 HG2 GLU 43 2HG GLU 43 -1.569 -13.324 7.956 361 HG3 GLU 43 1HG GLU 43 0.055 -12.645 7.991 362 H VAL 44 H VAL 44 1.972 -14.908 5.175 363 HA VAL 44 HA VAL 44 1.646 -14.914 2.221 364 HB VAL 44 HB VAL 44 4.113 -15.566 3.842 365 HG11 VAL 44 1HG1 VAL 44 3.417 -16.094 0.948 366 HG12 VAL 44 2HG1 VAL 44 3.995 -17.249 2.150 367 HG13 VAL 44 3HG1 VAL 44 5.084 -16.015 1.515 368 HG21 VAL 44 3HG2 VAL 44 5.086 -13.835 2.262 369 HG22 VAL 44 1HG2 VAL 44 3.909 -13.200 3.410 370 HG23 VAL 44 2HG2 VAL 44 3.441 -13.491 1.735 371 H ASP 45 H ASP 45 0.667 -16.656 1.507 372 HA ASP 45 HA ASP 45 1.086 -19.245 2.861 373 HB2 ASP 45 2HB ASP 45 -1.656 -18.221 2.120 374 HB3 ASP 45 1HB ASP 45 -1.263 -19.732 2.936 375 H LYS 46 H LYS 46 1.131 -20.959 1.498 376 HA LYS 46 HA LYS 46 1.693 -20.652 -1.195 377 HB2 LYS 46 2HB LYS 46 0.410 -23.063 0.126 378 HB3 LYS 46 1HB LYS 46 1.298 -23.067 -1.397 379 HG2 LYS 46 2HG LYS 46 2.583 -22.067 1.146 380 HG3 LYS 46 1HG LYS 46 2.578 -23.782 0.743 381 HD2 LYS 46 2HD LYS 46 3.651 -23.251 -1.435 382 HD3 LYS 46 1HD LYS 46 3.714 -21.555 -0.979 383 HE2 LYS 46 2HE LYS 46 5.084 -22.120 0.983 384 HE3 LYS 46 1HE LYS 46 5.048 -23.819 0.509 385 HZ1 LYS 46 3HZ LYS 46 5.827 -22.158 -1.662 386 HZ2 LYS 46 1HZ LYS 46 6.643 -23.474 -0.972 387 HZ3 LYS 46 2HZ LYS 46 6.847 -21.917 -0.323 388 H ASP 47 H ASP 47 0.193 -19.169 -2.057 389 HA ASP 47 HA ASP 47 -1.838 -20.240 -3.606 390 HB2 ASP 47 2HB ASP 47 -2.673 -19.550 -0.839 391 HB3 ASP 47 1HB ASP 47 -3.733 -18.933 -2.103 392 H VAL 48 H VAL 48 -0.626 -17.485 -1.822 393 HA VAL 48 HA VAL 48 -1.663 -15.658 -3.919 394 HB VAL 48 HB VAL 48 -0.859 -13.904 -2.163 395 HG11 VAL 48 1HG1 VAL 48 -3.006 -14.179 -0.907 396 HG12 VAL 48 2HG1 VAL 48 -3.215 -15.750 -1.682 397 HG13 VAL 48 3HG1 VAL 48 -3.207 -14.281 -2.658 398 HG21 VAL 48 3HG2 VAL 48 -0.779 -14.708 0.126 399 HG22 VAL 48 1HG2 VAL 48 0.391 -15.629 -0.815 400 HG23 VAL 48 2HG2 VAL 48 -1.159 -16.349 -0.392 401 H THR 49 H THR 49 -0.268 -15.375 -5.510 402 HA THR 49 HA THR 49 2.606 -15.589 -5.059 403 HB THR 49 HB THR 49 2.827 -15.613 -7.396 404 HG1 THR 49 HG1 THR 49 0.225 -14.865 -7.958 405 HG21 THR 49 3HG2 THR 49 1.588 -17.572 -6.485 406 HG22 THR 49 1HG2 THR 49 1.161 -17.223 -8.159 407 HG23 THR 49 2HG2 THR 49 0.072 -16.752 -6.855 408 H LEU 50 H LEU 50 4.030 -13.890 -6.053 409 HA LEU 50 HA LEU 50 3.957 -11.497 -4.761 410 HB2 LEU 50 2HB LEU 50 5.386 -10.579 -6.523 411 HB3 LEU 50 1HB LEU 50 5.852 -12.229 -6.117 412 HG LEU 50 HG LEU 50 3.965 -12.657 -8.129 413 HD11 LEU 50 1HD1 LEU 50 3.899 -10.197 -8.559 414 HD12 LEU 50 2HD1 LEU 50 4.489 -11.113 -9.943 415 HD13 LEU 50 3HD1 LEU 50 5.627 -10.243 -8.913 416 HD21 LEU 50 3HD2 LEU 50 6.134 -13.774 -7.940 417 HD22 LEU 50 1HD2 LEU 50 6.963 -12.289 -8.409 418 HD23 LEU 50 2HD2 LEU 50 5.930 -13.129 -9.568 419 H ASP 51 H ASP 51 2.218 -12.330 -7.717 420 HA ASP 51 HA ASP 51 1.350 -9.760 -8.460 421 HB2 ASP 51 2HB ASP 51 0.131 -12.498 -8.824 422 HB3 ASP 51 1HB ASP 51 -0.598 -11.042 -9.499 423 H GLU 52 H GLU 52 -0.206 -12.191 -6.379 424 HA GLU 52 HA GLU 52 -2.461 -10.600 -5.718 425 HB2 GLU 52 2HB GLU 52 -1.168 -12.959 -4.329 426 HB3 GLU 52 1HB GLU 52 -2.668 -12.215 -3.775 427 HG2 GLU 52 2HG GLU 52 -3.439 -13.952 -5.155 428 HG3 GLU 52 1HG GLU 52 -3.484 -12.570 -6.243 429 H LEU 53 H LEU 53 0.758 -10.917 -4.358 430 HA LEU 53 HA LEU 53 0.306 -9.604 -1.918 431 HB2 LEU 53 2HB LEU 53 2.439 -10.853 -2.958 432 HB3 LEU 53 1HB LEU 53 2.916 -9.200 -3.342 433 HG LEU 53 HG LEU 53 2.145 -10.222 -0.591 434 HD11 LEU 53 1HD1 LEU 53 4.592 -9.568 -0.158 435 HD12 LEU 53 2HD1 LEU 53 4.780 -9.569 -1.912 436 HD13 LEU 53 3HD1 LEU 53 4.310 -11.049 -1.074 437 HD21 LEU 53 3HD2 LEU 53 2.751 -7.484 -1.701 438 HD22 LEU 53 1HD2 LEU 53 3.200 -7.861 -0.037 439 HD23 LEU 53 2HD2 LEU 53 1.518 -7.975 -0.538 440 H LEU 54 H LEU 54 1.126 -8.383 -5.133 441 HA LEU 54 HA LEU 54 1.386 -5.653 -4.337 442 HB2 LEU 54 2HB LEU 54 0.911 -6.917 -7.035 443 HB3 LEU 54 1HB LEU 54 1.219 -5.202 -6.787 444 HG LEU 54 HG LEU 54 3.088 -7.343 -5.745 445 HD11 LEU 54 1HD1 LEU 54 2.968 -6.014 -8.448 446 HD12 LEU 54 2HD1 LEU 54 3.160 -7.724 -8.074 447 HD13 LEU 54 3HD1 LEU 54 4.494 -6.606 -7.793 448 HD21 LEU 54 3HD2 LEU 54 4.680 -5.275 -6.056 449 HD22 LEU 54 1HD2 LEU 54 3.607 -5.316 -4.667 450 HD23 LEU 54 2HD2 LEU 54 3.193 -4.337 -6.072 451 H ASP 55 H ASP 55 -1.243 -7.652 -5.516 452 HA ASP 55 HA ASP 55 -3.070 -5.496 -5.939 453 HB2 ASP 55 2HB ASP 55 -3.460 -8.471 -5.593 454 HB3 ASP 55 1HB ASP 55 -4.786 -7.360 -5.924 455 H VAL 56 H VAL 56 -2.633 -7.815 -3.300 456 HA VAL 56 HA VAL 56 -4.794 -6.840 -1.726 457 HB VAL 56 HB VAL 56 -3.811 -8.175 0.083 458 HG11 VAL 56 1HG1 VAL 56 -3.532 -10.360 -1.330 459 HG12 VAL 56 2HG1 VAL 56 -3.946 -9.332 -2.702 460 HG13 VAL 56 3HG1 VAL 56 -5.079 -9.520 -1.370 461 HG21 VAL 56 3HG2 VAL 56 -1.650 -9.473 -0.674 462 HG22 VAL 56 1HG2 VAL 56 -1.490 -7.843 -0.021 463 HG23 VAL 56 2HG2 VAL 56 -1.444 -8.108 -1.755 464 H VAL 57 H VAL 57 -1.270 -6.323 -1.505 465 HA VAL 57 HA VAL 57 -1.318 -4.616 0.718 466 HB VAL 57 HB VAL 57 0.716 -5.689 -0.326 467 HG11 VAL 57 1HG1 VAL 57 0.713 -3.304 -2.177 468 HG12 VAL 57 2HG1 VAL 57 0.017 -4.846 -2.655 469 HG13 VAL 57 3HG1 VAL 57 1.724 -4.746 -2.242 470 HG21 VAL 57 3HG2 VAL 57 0.786 -2.695 0.146 471 HG22 VAL 57 1HG2 VAL 57 2.192 -3.759 0.176 472 HG23 VAL 57 2HG2 VAL 57 0.921 -3.942 1.386 473 H LEU 58 H LEU 58 -1.432 -3.867 -2.786 474 HA LEU 58 HA LEU 58 -1.500 -1.066 -2.473 475 HB2 LEU 58 2HB LEU 58 -1.027 -2.246 -4.617 476 HB3 LEU 58 1HB LEU 58 -2.715 -2.755 -4.682 477 HG LEU 58 HG LEU 58 -3.415 -0.366 -4.675 478 HD11 LEU 58 1HD1 LEU 58 -1.789 0.919 -3.654 479 HD12 LEU 58 2HD1 LEU 58 -1.325 1.182 -5.328 480 HD13 LEU 58 3HD1 LEU 58 -0.454 0.005 -4.353 481 HD21 LEU 58 3HD2 LEU 58 -1.488 -1.296 -6.810 482 HD22 LEU 58 1HD2 LEU 58 -2.429 0.186 -6.964 483 HD23 LEU 58 2HD2 LEU 58 -3.251 -1.369 -6.835 484 H ASP 59 H ASP 59 -4.169 -3.321 -3.191 485 HA ASP 59 HA ASP 59 -6.300 -1.563 -2.988 486 HB2 ASP 59 2HB ASP 59 -6.368 -4.021 -3.638 487 HB3 ASP 59 1HB ASP 59 -6.366 -4.387 -1.913 488 H ALA 60 H ALA 60 -4.540 -3.235 -0.413 489 HA ALA 60 HA ALA 60 -6.207 -2.567 1.746 490 HB1 ALA 60 3HB ALA 60 -4.291 -4.194 1.808 491 HB2 ALA 60 1HB ALA 60 -4.309 -3.060 3.158 492 HB3 ALA 60 2HB ALA 60 -3.189 -2.817 1.818 493 H VAL 61 H VAL 61 -3.342 -0.882 0.439 494 HA VAL 61 HA VAL 61 -3.384 1.280 2.250 495 HB VAL 61 HB VAL 61 -2.361 1.103 -0.595 496 HG11 VAL 61 1HG1 VAL 61 -2.088 3.249 1.522 497 HG12 VAL 61 2HG1 VAL 61 -2.649 3.433 -0.141 498 HG13 VAL 61 3HG1 VAL 61 -0.950 3.094 0.183 499 HG21 VAL 61 3HG2 VAL 61 -0.243 0.641 0.400 500 HG22 VAL 61 1HG2 VAL 61 -1.391 -0.386 1.260 501 HG23 VAL 61 2HG2 VAL 61 -0.812 1.104 2.004 502 H GLU 62 H GLU 62 -4.821 0.920 -0.985 503 HA GLU 62 HA GLU 62 -5.912 3.515 -1.159 504 HB2 GLU 62 2HB GLU 62 -5.660 1.842 -3.044 505 HB3 GLU 62 1HB GLU 62 -7.084 1.022 -2.400 506 HG2 GLU 62 2HG GLU 62 -7.892 2.512 -4.087 507 HG3 GLU 62 1HG GLU 62 -8.287 3.264 -2.542 508 H SER 63 H SER 63 -7.201 0.485 0.150 509 HA SER 63 HA SER 63 -9.838 1.327 0.613 510 HB2 SER 63 2HB SER 63 -9.182 -1.017 0.788 511 HB3 SER 63 1HB SER 63 -8.137 -0.648 2.157 512 HG SER 63 HG SER 63 -9.893 -1.071 3.251 513 H THR 64 H THR 64 -7.014 1.348 2.802 514 HA THR 64 HA THR 64 -8.288 2.530 5.007 515 HB THR 64 HB THR 64 -5.956 3.270 5.632 516 HG1 THR 64 HG1 THR 64 -4.346 2.318 4.177 517 HG21 THR 64 3HG2 THR 64 -6.501 0.426 4.762 518 HG22 THR 64 1HG2 THR 64 -6.682 1.116 6.375 519 HG23 THR 64 2HG2 THR 64 -5.072 0.883 5.691 520 H LEU 65 H LEU 65 -6.040 4.176 2.765 521 HA LEU 65 HA LEU 65 -7.518 6.706 3.262 522 HB2 LEU 65 2HB LEU 65 -4.682 6.237 2.306 523 HB3 LEU 65 1HB LEU 65 -5.439 7.813 2.506 524 HG LEU 65 HG LEU 65 -5.234 5.794 4.748 525 HD11 LEU 65 1HD1 LEU 65 -3.377 8.078 4.017 526 HD12 LEU 65 2HD1 LEU 65 -2.969 6.364 4.091 527 HD13 LEU 65 3HD1 LEU 65 -3.349 7.247 5.573 528 HD21 LEU 65 3HD2 LEU 65 -6.091 8.681 4.514 529 HD22 LEU 65 1HD2 LEU 65 -5.421 8.091 6.034 530 HD23 LEU 65 2HD2 LEU 65 -6.871 7.353 5.368 531 H SER 66 H SER 66 -9.125 6.053 1.701 532 HA SER 66 HA SER 66 -8.421 5.632 -1.047 533 HB2 SER 66 2HB SER 66 -11.130 6.635 -0.755 534 HB3 SER 66 1HB SER 66 -10.605 5.002 -1.154 535 HG SER 66 HG SER 66 -10.228 4.762 1.161 536 HA PRO 67 HA PRO 67 -9.537 10.226 -1.525 537 HB2 PRO 67 2HB PRO 67 -10.006 11.749 0.692 538 HB3 PRO 67 1HB PRO 67 -11.262 10.757 -0.072 539 HG2 PRO 67 2HG PRO 67 -9.760 10.294 2.440 540 HG3 PRO 67 1HG PRO 67 -11.386 9.763 1.985 541 HD2 PRO 67 2HD PRO 67 -9.010 8.207 1.930 542 HD3 PRO 67 1HD PRO 67 -10.590 7.746 1.260 543 H CYS 68 H CYS 68 -7.242 10.071 -2.040 544 HA CYS 68 HA CYS 68 -5.325 11.085 -0.087 545 HB2 CYS 68 2HB CYS 68 -4.961 10.269 -2.981 546 HB3 CYS 68 1HB CYS 68 -3.668 10.662 -1.853 547 HG CYS 68 HG CYS 68 -3.822 8.168 -1.497 548 H LYS 69 H LYS 69 -7.333 12.298 -2.578 549 HA LYS 69 HA LYS 69 -5.769 14.519 -3.408 550 HB2 LYS 69 2HB LYS 69 -8.749 14.028 -3.471 551 HB3 LYS 69 1HB LYS 69 -7.970 15.427 -4.209 552 HG2 LYS 69 2HG LYS 69 -6.583 13.925 -5.595 553 HG3 LYS 69 1HG LYS 69 -7.376 12.526 -4.868 554 HD2 LYS 69 2HD LYS 69 -9.546 13.280 -5.739 555 HD3 LYS 69 1HD LYS 69 -8.782 14.706 -6.438 556 HE2 LYS 69 2HE LYS 69 -8.899 13.200 -8.250 557 HE3 LYS 69 1HE LYS 69 -7.240 13.026 -7.677 558 HZ1 LYS 69 3HZ LYS 69 -9.521 11.275 -6.926 559 HZ2 LYS 69 1HZ LYS 69 -7.920 11.101 -6.394 560 HZ3 LYS 69 2HZ LYS 69 -8.296 10.878 -8.035 561 H GLU 70 H GLU 70 -7.093 13.828 -0.443 562 HA GLU 70 HA GLU 70 -8.062 16.410 0.321 563 HB2 GLU 70 2HB GLU 70 -8.042 15.508 2.593 564 HB3 GLU 70 1HB GLU 70 -8.728 14.326 1.479 565 HG2 GLU 70 2HG GLU 70 -6.446 13.266 1.319 566 HG3 GLU 70 1HG GLU 70 -5.911 14.356 2.592 567 H HIS 71 H HIS 71 -4.961 14.733 0.581 568 HA HIS 71 HA HIS 71 -3.751 17.215 1.686 569 HB2 HIS 71 2HB HIS 71 -3.030 14.294 1.929 570 HB3 HIS 71 1HB HIS 71 -1.825 15.550 2.212 571 HD1 HIS 71 HD1 HIS 71 -2.852 17.554 3.922 572 HD2 HIS 71 HD2 HIS 71 -4.388 13.693 4.249 573 HE1 HIS 71 HE1 HIS 71 -3.937 17.407 6.204 574 H ASP 72 H ASP 72 -2.468 18.353 0.413 575 HA ASP 72 HA ASP 72 -1.992 17.684 -2.285 576 HB2 ASP 72 2HB ASP 72 -0.772 19.733 -0.435 577 HB3 ASP 72 1HB ASP 72 -0.300 19.595 -2.126 578 H VAL 73 H VAL 73 -0.018 17.345 0.633 579 HA VAL 73 HA VAL 73 2.414 16.652 -0.591 580 HB VAL 73 HB VAL 73 1.276 15.714 2.055 581 HG11 VAL 73 1HG1 VAL 73 4.081 15.721 0.916 582 HG12 VAL 73 2HG1 VAL 73 3.144 14.317 1.421 583 HG13 VAL 73 3HG1 VAL 73 3.722 15.472 2.624 584 HG21 VAL 73 3HG2 VAL 73 3.142 18.021 1.421 585 HG22 VAL 73 1HG2 VAL 73 2.484 17.601 3.005 586 HG23 VAL 73 2HG2 VAL 73 1.414 18.198 1.735 587 H ILE 74 H ILE 74 -0.258 14.588 0.558 588 HA ILE 74 HA ILE 74 0.970 12.184 -0.509 589 HB ILE 74 HB ILE 74 -1.827 12.611 0.558 590 HG12 ILE 74 2HG1 ILE 74 0.619 11.506 1.972 591 HG13 ILE 74 1HG1 ILE 74 0.066 13.171 2.150 592 HG21 ILE 74 1HG2 ILE 74 -0.142 10.131 0.084 593 HG22 ILE 74 2HG2 ILE 74 -1.605 10.581 -0.788 594 HG23 ILE 74 3HG2 ILE 74 -1.697 10.142 0.916 595 HD11 ILE 74 3HD1 ILE 74 -2.206 12.196 2.811 596 HD12 ILE 74 1HD1 ILE 74 -0.900 11.978 3.975 597 HD13 ILE 74 2HD1 ILE 74 -1.386 10.640 2.935 598 H GLY 75 H GLY 75 -1.435 14.531 -1.479 599 HA2 GLY 75 2HA GLY 75 -2.983 13.431 -3.368 600 HA3 GLY 75 1HA GLY 75 -2.183 14.973 -3.655 601 H THR 76 H THR 76 0.345 14.498 -4.128 602 HA THR 76 HA THR 76 0.654 13.680 -6.688 603 HB THR 76 HB THR 76 2.701 13.054 -4.554 604 HG1 THR 76 HG1 THR 76 2.344 15.130 -4.205 605 HG21 THR 76 3HG2 THR 76 2.903 13.784 -7.489 606 HG22 THR 76 1HG2 THR 76 3.226 12.198 -6.787 607 HG23 THR 76 2HG2 THR 76 4.275 13.563 -6.404 608 H LYS 77 H LYS 77 0.272 11.614 -3.919 609 HA LYS 77 HA LYS 77 1.197 9.215 -4.988 610 HB2 LYS 77 2HB LYS 77 0.664 9.527 -2.589 611 HB3 LYS 77 1HB LYS 77 -1.050 9.604 -2.999 612 HG2 LYS 77 2HG LYS 77 -0.508 7.357 -2.254 613 HG3 LYS 77 1HG LYS 77 -0.893 7.315 -3.969 614 HD2 LYS 77 2HD LYS 77 1.355 7.030 -4.608 615 HD3 LYS 77 1HD LYS 77 1.970 7.636 -3.068 616 HE2 LYS 77 2HE LYS 77 2.242 5.220 -3.182 617 HE3 LYS 77 1HE LYS 77 1.034 5.616 -1.960 618 HZ1 LYS 77 3HZ LYS 77 0.181 3.858 -3.280 619 HZ2 LYS 77 1HZ LYS 77 0.547 4.665 -4.726 620 HZ3 LYS 77 2HZ LYS 77 -0.677 5.261 -3.707 621 H VAL 78 H VAL 78 -1.958 10.776 -5.164 622 HA VAL 78 HA VAL 78 -3.429 8.709 -6.314 623 HB VAL 78 HB VAL 78 -4.183 11.070 -5.511 624 HG11 VAL 78 1HG1 VAL 78 -4.265 12.815 -7.129 625 HG12 VAL 78 2HG1 VAL 78 -3.845 11.724 -8.447 626 HG13 VAL 78 3HG1 VAL 78 -2.633 12.172 -7.260 627 HG21 VAL 78 3HG2 VAL 78 -5.723 9.376 -6.409 628 HG22 VAL 78 1HG2 VAL 78 -5.296 9.839 -8.055 629 HG23 VAL 78 2HG2 VAL 78 -6.161 10.972 -7.013 630 H CYS 79 H CYS 79 -1.275 11.094 -7.807 631 HA CYS 79 HA CYS 79 -1.851 10.416 -10.497 632 HB2 CYS 79 2HB CYS 79 -0.504 12.441 -9.377 633 HB3 CYS 79 1HB CYS 79 0.876 11.419 -9.768 634 HG CYS 79 HG CYS 79 0.577 12.550 -11.990 635 H ALA 80 H ALA 80 0.759 9.443 -8.277 636 HA ALA 80 HA ALA 80 2.051 7.684 -10.093 637 HB1 ALA 80 3HB ALA 80 3.283 6.897 -8.216 638 HB2 ALA 80 1HB ALA 80 2.011 7.373 -7.090 639 HB3 ALA 80 2HB ALA 80 2.974 8.606 -7.904 640 H LEU 81 H LEU 81 -0.576 7.233 -7.781 641 HA LEU 81 HA LEU 81 -0.705 4.439 -7.872 642 HB2 LEU 81 2HB LEU 81 -1.903 5.690 -6.160 643 HB3 LEU 81 1HB LEU 81 -2.890 6.486 -7.385 644 HG LEU 81 HG LEU 81 -3.884 4.326 -8.023 645 HD11 LEU 81 1HD1 LEU 81 -2.223 2.704 -7.697 646 HD12 LEU 81 2HD1 LEU 81 -3.305 2.384 -6.345 647 HD13 LEU 81 3HD1 LEU 81 -1.816 3.296 -6.089 648 HD21 LEU 81 3HD2 LEU 81 -3.890 4.807 -5.035 649 HD22 LEU 81 1HD2 LEU 81 -5.073 3.838 -5.911 650 HD23 LEU 81 2HD2 LEU 81 -4.956 5.571 -6.214 651 H LEU 82 H LEU 82 -2.353 6.928 -9.802 652 HA LEU 82 HA LEU 82 -3.916 5.169 -11.364 653 HB2 LEU 82 2HB LEU 82 -2.826 7.936 -11.919 654 HB3 LEU 82 1HB LEU 82 -3.946 7.106 -12.994 655 HG LEU 82 HG LEU 82 -4.533 7.500 -10.051 656 HD11 LEU 82 1HD1 LEU 82 -5.267 9.297 -12.384 657 HD12 LEU 82 2HD1 LEU 82 -4.217 9.720 -11.030 658 HD13 LEU 82 3HD1 LEU 82 -5.937 9.436 -10.758 659 HD21 LEU 82 3HD2 LEU 82 -6.932 7.373 -11.119 660 HD22 LEU 82 1HD2 LEU 82 -6.020 5.889 -10.897 661 HD23 LEU 82 2HD2 LEU 82 -6.104 6.641 -12.487 662 H ASP 83 H ASP 83 -0.679 6.522 -11.857 663 HA ASP 83 HA ASP 83 -0.243 5.450 -14.436 664 HB2 ASP 83 2HB ASP 83 1.181 7.196 -13.444 665 HB3 ASP 83 1HB ASP 83 1.770 6.037 -12.254 666 H ARG 84 H ARG 84 0.427 4.154 -11.199 667 HA ARG 84 HA ARG 84 1.684 1.774 -12.106 668 HB2 ARG 84 2HB ARG 84 0.376 2.520 -9.494 669 HB3 ARG 84 1HB ARG 84 1.165 0.965 -9.761 670 HG2 ARG 84 2HG ARG 84 3.267 2.108 -10.317 671 HG3 ARG 84 1HG ARG 84 2.487 3.674 -10.097 672 HD2 ARG 84 2HD ARG 84 2.020 3.103 -7.739 673 HD3 ARG 84 1HD ARG 84 2.820 1.550 -7.960 674 HE ARG 84 HE ARG 84 4.513 3.758 -8.677 675 HH11 ARG 84 1HH2 ARG 84 3.232 1.876 -6.072 676 HH12 ARG 84 2HH2 ARG 84 4.563 2.190 -5.008 677 HH21 ARG 84 1HH1 ARG 84 6.261 4.176 -7.288 678 HH22 ARG 84 2HH1 ARG 84 6.278 3.493 -5.697 679 H LEU 85 H LEU 85 -1.632 2.559 -11.152 680 HA LEU 85 HA LEU 85 -2.628 -0.076 -11.423 681 HB2 LEU 85 2HB LEU 85 -3.837 1.573 -10.100 682 HB3 LEU 85 1HB LEU 85 -4.061 2.598 -11.517 683 HG LEU 85 HG LEU 85 -5.441 0.865 -12.582 684 HD11 LEU 85 1HD1 LEU 85 -4.534 -0.728 -10.189 685 HD12 LEU 85 2HD1 LEU 85 -4.604 -1.208 -11.884 686 HD13 LEU 85 3HD1 LEU 85 -6.086 -1.100 -10.943 687 HD21 LEU 85 3HD2 LEU 85 -6.541 2.469 -11.079 688 HD22 LEU 85 1HD2 LEU 85 -6.279 1.373 -9.721 689 HD23 LEU 85 2HD2 LEU 85 -7.342 0.899 -11.045 690 H ALA 86 H ALA 86 -1.834 2.389 -13.684 691 HA ALA 86 HA ALA 86 -3.619 1.901 -15.771 692 HB1 ALA 86 3HB ALA 86 -0.688 2.535 -16.142 693 HB2 ALA 86 1HB ALA 86 -1.864 3.736 -15.606 694 HB3 ALA 86 2HB ALA 86 -2.034 2.982 -17.191 695 H GLY 87 H GLY 87 -0.489 0.358 -15.072 696 HA2 GLY 87 2HA GLY 87 -1.257 -2.185 -15.987 697 HA3 GLY 87 1HA GLY 87 -0.434 -1.357 -17.303 698 H ASP 88 H ASP 88 1.575 -0.018 -16.212 699 HA ASP 88 HA ASP 88 3.450 -2.061 -15.517 700 HB2 ASP 88 2HB ASP 88 4.095 -0.064 -16.800 701 HB3 ASP 88 1HB ASP 88 3.735 0.952 -15.405 702 H TYR 89 H TYR 89 3.677 -2.952 -13.578 703 HA TYR 89 HA TYR 89 3.172 -1.284 -11.162 704 HB2 TYR 89 2HB TYR 89 2.362 -3.301 -10.045 705 HB3 TYR 89 1HB TYR 89 1.404 -2.973 -11.491 706 HD1 TYR 89 HD1 TYR 89 4.182 -5.035 -10.150 707 HD2 TYR 89 HD2 TYR 89 1.341 -4.516 -13.314 708 HE1 TYR 89 HE1 TYR 89 4.762 -7.270 -11.022 709 HE2 TYR 89 HE2 TYR 89 1.918 -6.757 -14.199 710 HH TYR 89 HH TYR 89 3.593 -9.049 -12.452 711 H VAL 90 H VAL 90 4.624 -1.423 -9.529 712 HA VAL 90 HA VAL 90 7.282 -1.984 -10.025 713 HB VAL 90 HB VAL 90 6.043 -2.289 -7.286 714 HG11 VAL 90 1HG1 VAL 90 8.532 -2.681 -7.762 715 HG12 VAL 90 2HG1 VAL 90 8.150 -1.503 -6.504 716 HG13 VAL 90 3HG1 VAL 90 8.620 -0.954 -8.114 717 HG21 VAL 90 3HG2 VAL 90 6.509 0.201 -8.942 718 HG22 VAL 90 1HG2 VAL 90 6.411 0.248 -7.180 719 HG23 VAL 90 2HG2 VAL 90 5.027 -0.298 -8.128 720 H TYR 91 H TYR 91 8.398 -3.802 -10.287 721 HA TYR 91 HA TYR 91 7.122 -6.376 -9.844 722 HB2 TYR 91 2HB TYR 91 9.987 -5.975 -10.686 723 HB3 TYR 91 1HB TYR 91 8.884 -7.286 -11.102 724 HD1 TYR 91 HD2 TYR 91 6.442 -5.853 -11.923 725 HD2 TYR 91 HD1 TYR 91 10.571 -4.947 -12.713 726 HE1 TYR 91 HE2 TYR 91 5.775 -4.626 -13.951 727 HE2 TYR 91 HE1 TYR 91 9.894 -3.715 -14.761 728 HH TYR 91 HH TYR 91 7.477 -2.465 -15.440 729 H LEU 92 H LEU 92 8.003 -8.064 -8.572 730 HA LEU 92 HA LEU 92 9.813 -7.169 -6.410 731 HB2 LEU 92 2HB LEU 92 7.480 -7.229 -5.620 732 HB3 LEU 92 1HB LEU 92 7.366 -8.917 -6.113 733 HG LEU 92 HG LEU 92 9.738 -8.341 -4.398 734 HD11 LEU 92 1HD1 LEU 92 6.947 -8.111 -3.247 735 HD12 LEU 92 2HD1 LEU 92 8.120 -6.803 -3.376 736 HD13 LEU 92 3HD1 LEU 92 8.445 -8.175 -2.317 737 HD21 LEU 92 3HD2 LEU 92 9.028 -10.617 -5.037 738 HD22 LEU 92 1HD2 LEU 92 7.474 -10.357 -4.248 739 HD23 LEU 92 2HD2 LEU 92 8.952 -10.405 -3.290 740 H PHE 93 H PHE 93 11.499 -8.456 -6.064 741 HA PHE 93 HA PHE 93 11.415 -11.231 -7.133 742 HB2 PHE 93 2HB PHE 93 13.675 -9.225 -7.287 743 HB3 PHE 93 1HB PHE 93 13.838 -10.938 -7.667 744 HD1 PHE 93 HD2 PHE 93 12.402 -11.938 -9.505 745 HD2 PHE 93 HD1 PHE 93 12.730 -7.703 -8.857 746 HE1 PHE 93 HE2 PHE 93 11.531 -11.519 -11.789 747 HE2 PHE 93 HE1 PHE 93 11.861 -7.288 -11.141 748 HZ PHE 93 HZ PHE 93 11.259 -9.193 -12.607 749 H ASP 94 H ASP 94 12.773 -12.747 -6.055 750 HA ASP 94 HA ASP 94 12.790 -12.407 -3.214 751 HB2 ASP 94 2HB ASP 94 12.424 -14.588 -4.452 752 HB3 ASP 94 1HB ASP 94 14.155 -14.592 -4.788 753 H GLU 95 H GLU 95 14.961 -13.327 -2.120 754 HA GLU 95 HA GLU 95 16.891 -11.243 -2.511 755 HB2 GLU 95 2HB GLU 95 16.239 -12.448 -0.309 756 HB3 GLU 95 1HB GLU 95 17.349 -13.712 -0.839 757 HG2 GLU 95 2HG GLU 95 18.635 -12.218 0.526 758 HG3 GLU 95 1HG GLU 95 19.098 -11.883 -1.139 759 H GLY 96 H GLY 96 16.571 -12.807 -4.853 760 HA2 GLY 96 2HA GLY 96 19.347 -13.552 -5.306 761 HA3 GLY 96 1HA GLY 96 18.190 -14.872 -5.460 762 H GLY 97 H GLY 97 16.113 -14.028 -6.769 763 HA2 GLY 97 2HA GLY 97 16.170 -12.130 -8.735 764 HA3 GLY 97 1HA GLY 97 17.097 -13.466 -9.414 765 H ASP 98 H ASP 98 15.506 -15.475 -7.939 766 HA ASP 98 HA ASP 98 13.528 -15.974 -9.909 767 HB2 ASP 98 2HB ASP 98 14.058 -17.181 -7.195 768 HB3 ASP 98 1HB ASP 98 12.781 -17.752 -8.260 769 H GLU 99 H GLU 99 11.339 -15.671 -9.919 770 HA GLU 99 HA GLU 99 10.308 -13.596 -8.203 771 HB2 GLU 99 2HB GLU 99 9.027 -15.286 -10.364 772 HB3 GLU 99 1HB GLU 99 8.197 -13.985 -9.510 773 HG2 GLU 99 2HG GLU 99 9.911 -12.385 -10.270 774 HG3 GLU 99 1HG GLU 99 10.749 -13.685 -11.116 775 H VAL 100 H VAL 100 10.375 -14.517 -6.121 776 HA VAL 100 HA VAL 100 8.054 -16.191 -5.516 777 HB VAL 100 HB VAL 100 10.884 -16.991 -4.796 778 HG11 VAL 100 1HG1 VAL 100 9.642 -18.950 -3.711 779 HG12 VAL 100 2HG1 VAL 100 8.187 -17.959 -3.829 780 HG13 VAL 100 3HG1 VAL 100 9.554 -17.408 -2.859 781 HG21 VAL 100 3HG2 VAL 100 10.329 -17.744 -7.007 782 HG22 VAL 100 1HG2 VAL 100 8.703 -18.211 -6.510 783 HG23 VAL 100 2HG2 VAL 100 10.097 -19.130 -5.943 784 H ILE 101 H ILE 101 7.113 -15.600 -3.643 785 HA ILE 101 HA ILE 101 8.084 -13.320 -2.234 786 HB ILE 101 HB ILE 101 5.869 -15.266 -1.536 787 HG12 ILE 101 2HG1 ILE 101 5.676 -12.512 -2.781 788 HG13 ILE 101 1HG1 ILE 101 5.730 -13.987 -3.745 789 HG21 ILE 101 1HG2 ILE 101 6.516 -14.041 0.438 790 HG22 ILE 101 2HG2 ILE 101 5.050 -13.285 -0.188 791 HG23 ILE 101 3HG2 ILE 101 6.622 -12.531 -0.467 792 HD11 ILE 101 3HD1 ILE 101 3.701 -14.810 -2.767 793 HD12 ILE 101 1HD1 ILE 101 3.395 -13.130 -3.206 794 HD13 ILE 101 2HD1 ILE 101 3.717 -13.555 -1.527 795 H ALA 102 H ALA 102 9.289 -13.186 -0.434 796 HA ALA 102 HA ALA 102 9.558 -15.463 1.341 797 HB1 ALA 102 3HB ALA 102 11.594 -16.178 0.617 798 HB2 ALA 102 1HB ALA 102 12.259 -14.546 0.747 799 HB3 ALA 102 2HB ALA 102 11.453 -15.055 -0.731 800 HA PRO 103 HA PRO 103 10.230 -12.657 4.649 801 HB2 PRO 103 2HB PRO 103 13.078 -13.579 4.899 802 HB3 PRO 103 1HB PRO 103 11.820 -13.467 6.144 803 HG2 PRO 103 2HG PRO 103 12.521 -15.813 5.090 804 HG3 PRO 103 1HG PRO 103 10.837 -15.460 5.518 805 HD2 PRO 103 2HD PRO 103 12.099 -15.609 2.821 806 HD3 PRO 103 1HD PRO 103 10.430 -15.961 3.319 807 H ARG 104 H ARG 104 12.985 -12.818 2.406 808 HA ARG 104 HA ARG 104 13.222 -9.855 2.564 809 HB2 ARG 104 2HB ARG 104 15.421 -11.907 2.259 810 HB3 ARG 104 1HB ARG 104 15.635 -10.164 2.102 811 HG2 ARG 104 2HG ARG 104 14.924 -9.806 4.392 812 HG3 ARG 104 1HG ARG 104 14.513 -11.512 4.573 813 HD2 ARG 104 2HD ARG 104 16.693 -11.033 5.585 814 HD3 ARG 104 1HD ARG 104 16.863 -12.126 4.217 815 HE ARG 104 HE ARG 104 17.981 -10.428 3.042 816 HH11 ARG 104 1HH2 ARG 104 16.577 -9.276 5.987 817 HH12 ARG 104 2HH2 ARG 104 17.400 -7.755 5.946 818 HH21 ARG 104 1HH1 ARG 104 19.066 -8.434 2.982 819 HH22 ARG 104 2HH1 ARG 104 18.810 -7.277 4.246 820 H MET 105 H MET 105 12.892 -8.857 0.698 821 HA MET 105 HA MET 105 13.659 -10.108 -1.830 822 HB2 MET 105 2HB MET 105 11.243 -9.380 -2.672 823 HB3 MET 105 1HB MET 105 11.495 -10.955 -1.924 824 HG2 MET 105 2HG MET 105 9.527 -9.762 -0.985 825 HG3 MET 105 1HG MET 105 10.752 -10.095 0.237 826 HE1 MET 105 3HE MET 105 8.304 -7.383 0.059 827 HE2 MET 105 1HE MET 105 9.265 -6.865 1.449 828 HE3 MET 105 2HE MET 105 8.942 -8.576 1.187 829 H TYR 106 H TYR 106 13.335 -8.573 -3.665 830 HA TYR 106 HA TYR 106 13.746 -5.782 -2.748 831 HB2 TYR 106 2HB TYR 106 15.747 -6.716 -3.771 832 HB3 TYR 106 1HB TYR 106 14.820 -7.214 -5.186 833 HD1 TYR 106 HD1 TYR 106 15.255 -4.096 -3.112 834 HD2 TYR 106 HD2 TYR 106 15.002 -5.812 -7.048 835 HE1 TYR 106 HE1 TYR 106 15.579 -1.859 -4.109 836 HE2 TYR 106 HE2 TYR 106 15.335 -3.571 -8.045 837 HH TYR 106 HH TYR 106 15.408 -0.665 -6.040 838 H CYS 107 H CYS 107 12.117 -4.480 -3.180 839 HA CYS 107 HA CYS 107 10.323 -5.099 -5.454 840 HB2 CYS 107 2HB CYS 107 8.628 -3.890 -4.327 841 HB3 CYS 107 1HB CYS 107 9.398 -4.884 -3.091 842 HG CYS 107 HG CYS 107 10.335 -2.844 -1.988 843 H SER 108 H SER 108 10.485 -3.912 -7.215 844 HA SER 108 HA SER 108 10.758 -1.082 -7.195 845 HB2 SER 108 2HB SER 108 13.087 -1.603 -6.626 846 HB3 SER 108 1HB SER 108 13.206 -2.629 -8.053 847 HG SER 108 HG SER 108 12.228 -0.123 -8.568 848 H PHE 109 H PHE 109 11.036 -0.215 -9.448 849 HA PHE 109 HA PHE 109 9.325 -1.662 -11.235 850 HB2 PHE 109 2HB PHE 109 9.742 0.243 -12.772 851 HB3 PHE 109 1HB PHE 109 9.247 0.770 -11.164 852 HD1 PHE 109 HD1 PHE 109 12.066 0.502 -13.529 853 HD2 PHE 109 HD2 PHE 109 10.814 1.852 -9.648 854 HE1 PHE 109 HE1 PHE 109 14.157 1.816 -13.312 855 HE2 PHE 109 HE2 PHE 109 12.907 3.168 -9.431 856 HZ PHE 109 HZ PHE 109 14.578 3.149 -11.264 857 H SER 110 H SER 110 12.754 -1.334 -10.820 858 HA SER 110 HA SER 110 13.318 -2.547 -13.443 859 HB2 SER 110 2HB SER 110 15.714 -2.192 -12.729 860 HB3 SER 110 1HB SER 110 14.758 -0.722 -12.922 861 HG SER 110 HG SER 110 15.139 -2.094 -10.463 862 H ALA 111 H ALA 111 15.059 -4.277 -13.407 863 HA ALA 111 HA ALA 111 14.262 -6.311 -11.434 864 HB1 ALA 111 3HB ALA 111 15.975 -7.459 -13.410 865 HB2 ALA 111 1HB ALA 111 14.900 -6.348 -14.258 866 HB3 ALA 111 2HB ALA 111 14.227 -7.642 -13.272 867 HA PRO 112 HA PRO 112 18.147 -6.326 -9.370 868 HB2 PRO 112 2HB PRO 112 18.654 -9.018 -9.047 869 HB3 PRO 112 1HB PRO 112 17.432 -8.130 -8.116 870 HG2 PRO 112 2HG PRO 112 17.079 -9.880 -10.514 871 HG3 PRO 112 1HG PRO 112 16.080 -9.752 -9.052 872 HD2 PRO 112 2HD PRO 112 15.389 -8.561 -11.403 873 HD3 PRO 112 1HD PRO 112 14.955 -7.874 -9.825 874 H ASP 113 H ASP 113 17.876 -8.008 -12.392 875 HA ASP 113 HA ASP 113 20.671 -7.391 -13.012 876 HB2 ASP 113 2HB ASP 113 20.741 -9.681 -12.074 877 HB3 ASP 113 1HB ASP 113 19.555 -10.195 -13.272 878 H ASP 114 H ASP 114 19.034 -5.882 -14.174 879 HA ASP 114 HA ASP 114 17.343 -6.520 -16.193 880 HB2 ASP 114 2HB ASP 114 18.046 -4.466 -17.334 881 HB3 ASP 114 1HB ASP 114 17.917 -4.213 -15.595 Start of MODEL 9 1 HA2 GLY 1 2HA GLY 1 -8.557 -20.520 28.669 2 HA3 GLY 1 1HA GLY 1 -6.874 -20.454 29.196 3 H LYS 2 H LYS 2 -5.588 -18.852 27.574 4 HA LYS 2 HA LYS 2 -6.599 -16.254 28.180 5 HB2 LYS 2 2HB LYS 2 -4.204 -17.381 26.790 6 HB3 LYS 2 1HB LYS 2 -4.595 -15.696 26.453 7 HG2 LYS 2 2HG LYS 2 -4.541 -16.646 29.316 8 HG3 LYS 2 1HG LYS 2 -3.020 -16.305 28.490 9 HD2 LYS 2 2HD LYS 2 -3.839 -14.038 27.921 10 HD3 LYS 2 1HD LYS 2 -5.348 -14.377 28.768 11 HE2 LYS 2 2HE LYS 2 -3.825 -13.123 30.215 12 HE3 LYS 2 1HE LYS 2 -4.081 -14.747 30.854 13 HZ1 LYS 2 3HZ LYS 2 -1.968 -15.001 29.136 14 HZ2 LYS 2 1HZ LYS 2 -1.881 -14.949 30.830 15 HZ3 LYS 2 2HZ LYS 2 -1.676 -13.525 29.928 16 H LYS 3 H LYS 3 -7.707 -14.839 26.989 17 HA LYS 3 HA LYS 3 -8.589 -15.706 24.301 18 HB2 LYS 3 2HB LYS 3 -10.252 -15.183 26.147 19 HB3 LYS 3 1HB LYS 3 -9.782 -13.494 25.970 20 HG2 LYS 3 2HG LYS 3 -10.323 -13.636 23.536 21 HG3 LYS 3 1HG LYS 3 -10.896 -15.285 23.789 22 HD2 LYS 3 2HD LYS 3 -11.989 -12.936 25.344 23 HD3 LYS 3 1HD LYS 3 -12.691 -13.456 23.815 24 HE2 LYS 3 2HE LYS 3 -12.873 -15.793 24.869 25 HE3 LYS 3 1HE LYS 3 -12.516 -15.008 26.407 26 HZ1 LYS 3 3HZ LYS 3 -14.837 -14.620 24.643 27 HZ2 LYS 3 1HZ LYS 3 -14.394 -13.436 25.770 28 HZ3 LYS 3 2HZ LYS 3 -14.802 -14.999 26.297 29 H VAL 4 H VAL 4 -6.905 -13.193 26.042 30 HA VAL 4 HA VAL 4 -6.962 -11.155 24.128 31 HB VAL 4 HB VAL 4 -4.739 -11.826 26.056 32 HG11 VAL 4 1HG1 VAL 4 -4.380 -9.303 25.870 33 HG12 VAL 4 2HG1 VAL 4 -5.432 -9.353 24.456 34 HG13 VAL 4 3HG1 VAL 4 -3.915 -10.250 24.458 35 HG21 VAL 4 3HG2 VAL 4 -5.862 -10.186 27.528 36 HG22 VAL 4 1HG2 VAL 4 -6.922 -11.548 27.171 37 HG23 VAL 4 2HG2 VAL 4 -7.157 -10.010 26.340 38 H GLU 5 H GLU 5 -4.771 -13.867 24.523 39 HA GLU 5 HA GLU 5 -3.250 -14.836 23.103 40 HB2 GLU 5 2HB GLU 5 -4.992 -13.447 21.046 41 HB3 GLU 5 1HB GLU 5 -3.706 -14.583 20.648 42 HG2 GLU 5 2HG GLU 5 -4.803 -16.340 21.918 43 HG3 GLU 5 1HG GLU 5 -6.049 -15.213 22.455 44 H PHE 6 H PHE 6 -1.882 -13.104 24.259 45 HA PHE 6 HA PHE 6 -0.956 -10.749 23.696 46 HB2 PHE 6 2HB PHE 6 0.740 -13.243 23.668 47 HB3 PHE 6 1HB PHE 6 1.445 -11.625 23.629 48 HD1 PHE 6 HD1 PHE 6 -0.473 -14.048 25.641 49 HD2 PHE 6 HD2 PHE 6 1.282 -10.129 25.536 50 HE1 PHE 6 HE1 PHE 6 -0.740 -13.863 28.098 51 HE2 PHE 6 HE2 PHE 6 1.012 -9.944 27.995 52 HZ PHE 6 HZ PHE 6 0.003 -11.811 29.276 53 H ASN 7 H ASN 7 -1.128 -9.592 21.869 54 HA ASN 7 HA ASN 7 -1.314 -10.336 19.297 55 HB2 ASN 7 2HB ASN 7 0.123 -7.964 20.479 56 HB3 ASN 7 1HB ASN 7 -0.075 -8.149 18.738 57 HD21 ASN 7 1HD2 ASN 7 -1.307 -5.966 20.032 58 HD22 ASN 7 2HD2 ASN 7 -2.989 -6.198 20.036 59 H ASP 8 H ASP 8 1.796 -9.704 20.932 60 HA ASP 8 HA ASP 8 3.495 -10.326 18.812 61 HB2 ASP 8 2HB ASP 8 3.847 -10.675 21.796 62 HB3 ASP 8 1HB ASP 8 5.150 -10.900 20.629 63 H LYS 9 H LYS 9 3.666 -12.133 17.672 64 HA LYS 9 HA LYS 9 2.440 -14.538 18.418 65 HB2 LYS 9 2HB LYS 9 3.599 -15.513 16.465 66 HB3 LYS 9 1HB LYS 9 2.815 -13.981 16.081 67 HG2 LYS 9 2HG LYS 9 5.067 -12.873 16.594 68 HG3 LYS 9 1HG LYS 9 5.753 -14.500 16.550 69 HD2 LYS 9 2HD LYS 9 4.826 -14.801 14.262 70 HD3 LYS 9 1HD LYS 9 4.231 -13.141 14.308 71 HE2 LYS 9 2HE LYS 9 7.126 -14.018 14.498 72 HE3 LYS 9 1HE LYS 9 6.371 -13.183 13.143 73 HZ1 LYS 9 3HZ LYS 9 6.929 -11.301 14.142 74 HZ2 LYS 9 1HZ LYS 9 7.422 -12.105 15.551 75 HZ3 LYS 9 2HZ LYS 9 5.795 -11.660 15.355 76 HA PRO 10 HA PRO 10 5.618 -16.315 20.984 77 HB2 PRO 10 2HB PRO 10 4.973 -18.976 20.776 78 HB3 PRO 10 1HB PRO 10 4.003 -17.815 21.707 79 HG2 PRO 10 2HG PRO 10 3.536 -18.888 18.952 80 HG3 PRO 10 1HG PRO 10 2.375 -18.602 20.263 81 HD2 PRO 10 2HD PRO 10 2.697 -16.879 18.169 82 HD3 PRO 10 1HD PRO 10 2.185 -16.357 19.786 83 H LYS 11 H LYS 11 7.665 -17.207 20.812 84 HA LYS 11 HA LYS 11 8.588 -17.823 18.088 85 HB2 LYS 11 2HB LYS 11 10.047 -17.220 20.667 86 HB3 LYS 11 1HB LYS 11 10.854 -17.680 19.167 87 HG2 LYS 11 2HG LYS 11 9.806 -15.762 18.017 88 HG3 LYS 11 1HG LYS 11 9.019 -15.294 19.524 89 HD2 LYS 11 2HD LYS 11 11.196 -14.962 20.591 90 HD3 LYS 11 1HD LYS 11 12.018 -15.510 19.131 91 HE2 LYS 11 2HE LYS 11 12.079 -13.144 18.988 92 HE3 LYS 11 1HE LYS 11 10.754 -13.611 17.922 93 HZ1 LYS 11 3HZ LYS 11 9.879 -13.286 20.613 94 HZ2 LYS 11 1HZ LYS 11 9.303 -12.550 19.198 95 HZ3 LYS 11 2HZ LYS 11 10.617 -11.870 20.033 96 H VAL 12 H VAL 12 8.812 -19.172 21.389 97 HA VAL 12 HA VAL 12 9.932 -21.649 20.490 98 HB VAL 12 HB VAL 12 10.336 -20.797 22.755 99 HG11 VAL 12 1HG1 VAL 12 7.466 -21.463 23.425 100 HG12 VAL 12 2HG1 VAL 12 7.929 -19.842 22.903 101 HG13 VAL 12 3HG1 VAL 12 8.626 -20.530 24.369 102 HG21 VAL 12 3HG2 VAL 12 8.742 -23.240 23.407 103 HG22 VAL 12 1HG2 VAL 12 10.464 -22.929 23.628 104 HG23 VAL 12 2HG2 VAL 12 9.857 -23.436 22.054 105 H ARG 13 H ARG 13 7.670 -21.137 18.968 106 HA ARG 13 HA ARG 13 6.125 -23.534 19.507 107 HB2 ARG 13 2HB ARG 13 5.047 -21.652 20.862 108 HB3 ARG 13 1HB ARG 13 4.626 -20.922 19.312 109 HG2 ARG 13 2HG ARG 13 3.393 -22.937 18.662 110 HG3 ARG 13 1HG ARG 13 3.861 -23.730 20.166 111 HD2 ARG 13 2HD ARG 13 2.281 -21.153 20.032 112 HD3 ARG 13 1HD ARG 13 1.549 -22.747 20.204 113 HE ARG 13 HE ARG 13 3.492 -22.466 22.214 114 HH11 ARG 13 1HH2 ARG 13 0.478 -21.102 21.200 115 HH12 ARG 13 2HH2 ARG 13 -0.025 -20.671 22.800 116 HH21 ARG 13 1HH1 ARG 13 2.840 -21.903 24.317 117 HH22 ARG 13 2HH1 ARG 13 1.313 -21.123 24.565 118 H LYS 14 H LYS 14 4.714 -24.096 17.721 119 HA LYS 14 HA LYS 14 5.880 -23.459 15.188 120 HB2 LYS 14 2HB LYS 14 3.385 -24.981 15.939 121 HB3 LYS 14 1HB LYS 14 4.007 -24.863 14.294 122 HG2 LYS 14 2HG LYS 14 6.184 -25.806 15.108 123 HG3 LYS 14 1HG LYS 14 5.438 -26.054 16.686 124 HD2 LYS 14 2HD LYS 14 4.329 -27.207 14.114 125 HD3 LYS 14 1HD LYS 14 5.412 -28.094 15.185 126 HE2 LYS 14 2HE LYS 14 3.693 -27.531 17.052 127 HE3 LYS 14 1HE LYS 14 2.598 -27.139 15.726 128 HZ1 LYS 14 3HZ LYS 14 3.994 -29.723 16.112 129 HZ2 LYS 14 1HZ LYS 14 2.957 -29.346 14.824 130 HZ3 LYS 14 2HZ LYS 14 2.347 -29.422 16.408 131 H ILE 15 H ILE 15 5.265 -22.030 13.685 132 HA ILE 15 HA ILE 15 3.287 -20.072 14.420 133 HB ILE 15 HB ILE 15 4.018 -19.256 11.946 134 HG12 ILE 15 2HG1 ILE 15 6.439 -20.809 12.880 135 HG13 ILE 15 1HG1 ILE 15 5.291 -21.479 11.718 136 HG21 ILE 15 1HG2 ILE 15 5.867 -18.024 13.038 137 HG22 ILE 15 2HG2 ILE 15 5.742 -19.097 14.433 138 HG23 ILE 15 3HG2 ILE 15 4.404 -18.023 14.025 139 HD11 ILE 15 3HD1 ILE 15 5.719 -19.746 10.139 140 HD12 ILE 15 1HD1 ILE 15 7.302 -20.264 10.720 141 HD13 ILE 15 2HD1 ILE 15 6.583 -18.776 11.335 142 HA PRO 16 HA PRO 16 -0.337 -21.376 12.294 143 HB2 PRO 16 2HB PRO 16 -0.060 -18.928 10.576 144 HB3 PRO 16 1HB PRO 16 -1.474 -19.517 11.472 145 HG2 PRO 16 2HG PRO 16 0.044 -17.473 12.359 146 HG3 PRO 16 1HG PRO 16 -0.765 -18.604 13.457 147 HD2 PRO 16 2HD PRO 16 2.117 -18.343 12.848 148 HD3 PRO 16 1HD PRO 16 1.313 -19.080 14.248 149 H SER 17 H SER 17 -1.132 -22.103 10.183 150 HA SER 17 HA SER 17 0.848 -23.386 8.636 151 HB2 SER 17 2HB SER 17 -1.498 -24.181 8.850 152 HB3 SER 17 1HB SER 17 -2.026 -22.813 7.873 153 HG SER 17 HG SER 17 -1.090 -25.155 7.062 154 H THR 18 H THR 18 -0.079 -20.176 8.679 155 HA THR 18 HA THR 18 0.674 -19.733 5.843 156 HB THR 18 HB THR 18 -0.554 -17.744 5.891 157 HG1 THR 18 HG1 THR 18 -1.310 -17.427 8.388 158 HG21 THR 18 3HG2 THR 18 -1.917 -19.897 6.216 159 HG22 THR 18 1HG2 THR 18 -2.730 -18.378 6.596 160 HG23 THR 18 2HG2 THR 18 -2.101 -19.388 7.895 161 H ARG 19 H ARG 19 1.902 -17.664 5.495 162 HA ARG 19 HA ARG 19 4.100 -17.487 7.470 163 HB2 ARG 19 2HB ARG 19 5.367 -16.476 5.557 164 HB3 ARG 19 1HB ARG 19 4.880 -18.150 5.293 165 HG2 ARG 19 2HG ARG 19 3.043 -17.481 3.896 166 HG3 ARG 19 1HG ARG 19 3.265 -15.783 4.316 167 HD2 ARG 19 2HD ARG 19 4.223 -16.245 2.105 168 HD3 ARG 19 1HD ARG 19 5.492 -15.815 3.247 169 HE ARG 19 HE ARG 19 5.102 -18.646 3.147 170 HH11 ARG 19 1HH2 ARG 19 6.457 -15.934 1.485 171 HH12 ARG 19 2HH2 ARG 19 7.688 -16.858 0.690 172 HH21 ARG 19 1HH1 ARG 19 6.713 -19.867 2.112 173 HH22 ARG 19 2HH1 ARG 19 7.831 -19.085 1.045 174 H LYS 20 H LYS 20 5.123 -15.326 7.653 175 HA LYS 20 HA LYS 20 3.180 -13.104 7.375 176 HB2 LYS 20 2HB LYS 20 3.247 -13.972 9.702 177 HB3 LYS 20 1HB LYS 20 4.966 -13.585 9.768 178 HG2 LYS 20 2HG LYS 20 4.429 -11.210 9.245 179 HG3 LYS 20 1HG LYS 20 2.712 -11.616 9.260 180 HD2 LYS 20 2HD LYS 20 4.503 -12.191 11.623 181 HD3 LYS 20 1HD LYS 20 3.706 -10.634 11.427 182 HE2 LYS 20 2HE LYS 20 1.512 -11.916 11.213 183 HE3 LYS 20 1HE LYS 20 2.399 -13.352 11.721 184 HZ1 LYS 20 3HZ LYS 20 1.468 -11.155 13.273 185 HZ2 LYS 20 1HZ LYS 20 3.120 -11.451 13.522 186 HZ3 LYS 20 2HZ LYS 20 1.988 -12.695 13.768 187 H ILE 21 H ILE 21 4.003 -11.264 6.601 188 HA ILE 21 HA ILE 21 6.959 -11.002 6.394 189 HB ILE 21 HB ILE 21 6.659 -10.020 4.187 190 HG12 ILE 21 2HG1 ILE 21 4.058 -10.671 3.363 191 HG13 ILE 21 1HG1 ILE 21 3.795 -10.079 5.002 192 HG21 ILE 21 1HG2 ILE 21 6.210 -12.025 2.991 193 HG22 ILE 21 2HG2 ILE 21 5.133 -12.625 4.255 194 HG23 ILE 21 3HG2 ILE 21 6.870 -12.535 4.545 195 HD11 ILE 21 3HD1 ILE 21 5.294 -8.622 2.810 196 HD12 ILE 21 1HD1 ILE 21 5.044 -8.017 4.448 197 HD13 ILE 21 2HD1 ILE 21 3.666 -8.246 3.371 198 H LYS 22 H LYS 22 7.756 -9.121 7.051 199 HA LYS 22 HA LYS 22 5.873 -6.878 7.576 200 HB2 LYS 22 2HB LYS 22 7.021 -8.166 9.553 201 HB3 LYS 22 1HB LYS 22 8.449 -7.233 9.099 202 HG2 LYS 22 2HG LYS 22 6.892 -5.170 9.165 203 HG3 LYS 22 1HG LYS 22 5.757 -6.218 10.012 204 HD2 LYS 22 2HD LYS 22 8.614 -5.757 10.897 205 HD3 LYS 22 1HD LYS 22 7.223 -4.889 11.548 206 HE2 LYS 22 2HE LYS 22 6.219 -7.175 12.089 207 HE3 LYS 22 1HE LYS 22 7.805 -7.851 11.725 208 HZ1 LYS 22 3HZ LYS 22 8.681 -6.150 13.356 209 HZ2 LYS 22 1HZ LYS 22 7.823 -7.460 14.007 210 HZ3 LYS 22 2HZ LYS 22 7.071 -5.944 13.856 211 H ILE 23 H ILE 23 7.648 -7.602 5.216 212 HA ILE 23 HA ILE 23 9.668 -5.511 5.223 213 HB ILE 23 HB ILE 23 8.768 -7.457 3.101 214 HG12 ILE 23 2HG1 ILE 23 11.048 -8.411 3.547 215 HG13 ILE 23 1HG1 ILE 23 11.225 -7.261 4.871 216 HG21 ILE 23 1HG2 ILE 23 10.851 -5.271 3.075 217 HG22 ILE 23 2HG2 ILE 23 9.573 -5.580 1.900 218 HG23 ILE 23 3HG2 ILE 23 10.956 -6.669 2.002 219 HD11 ILE 23 3HD1 ILE 23 9.674 -8.345 6.209 220 HD12 ILE 23 1HD1 ILE 23 10.318 -9.718 5.318 221 HD13 ILE 23 2HD1 ILE 23 8.778 -9.006 4.839 222 H THR 24 H THR 24 9.539 -3.564 4.246 223 HA THR 24 HA THR 24 7.157 -2.952 2.601 224 HB THR 24 HB THR 24 6.929 -0.793 3.778 225 HG1 THR 24 HG1 THR 24 8.615 -0.256 4.893 226 HG21 THR 24 3HG2 THR 24 5.518 -2.655 4.469 227 HG22 THR 24 1HG2 THR 24 5.999 -1.732 5.893 228 HG23 THR 24 2HG2 THR 24 6.792 -3.264 5.527 229 H PHE 25 H PHE 25 7.619 -1.829 0.819 230 HA PHE 25 HA PHE 25 10.368 -0.732 0.529 231 HB2 PHE 25 2HB PHE 25 9.753 -2.586 -1.011 232 HB3 PHE 25 1HB PHE 25 8.431 -1.595 -1.633 233 HD1 PHE 25 HD1 PHE 25 12.127 -1.812 -1.275 234 HD2 PHE 25 HD2 PHE 25 8.832 0.203 -3.165 235 HE1 PHE 25 HE1 PHE 25 13.702 -0.664 -2.805 236 HE2 PHE 25 HE2 PHE 25 10.412 1.347 -4.696 237 HZ PHE 25 HZ PHE 25 12.847 0.913 -4.518 238 H ALA 26 H ALA 26 10.427 1.399 0.743 239 HA ALA 26 HA ALA 26 8.339 3.034 -0.574 240 HB1 ALA 26 3HB ALA 26 8.394 4.584 1.359 241 HB2 ALA 26 1HB ALA 26 9.417 3.438 2.225 242 HB3 ALA 26 2HB ALA 26 7.768 2.992 1.791 243 H LEU 27 H LEU 27 9.040 5.006 -1.374 244 HA LEU 27 HA LEU 27 11.966 5.236 -1.691 245 HB2 LEU 27 2HB LEU 27 9.752 6.697 -3.154 246 HB3 LEU 27 1HB LEU 27 11.467 6.673 -3.571 247 HG LEU 27 HG LEU 27 9.657 4.242 -3.508 248 HD11 LEU 27 1HD1 LEU 27 9.082 5.674 -5.384 249 HD12 LEU 27 2HD1 LEU 27 10.003 4.298 -5.991 250 HD13 LEU 27 3HD1 LEU 27 10.785 5.869 -5.805 251 HD21 LEU 27 3HD2 LEU 27 12.604 4.658 -4.011 252 HD22 LEU 27 1HD2 LEU 27 11.755 3.352 -4.847 253 HD23 LEU 27 2HD2 LEU 27 11.798 3.390 -3.087 254 H ASP 28 H ASP 28 9.234 7.512 -1.326 255 HA ASP 28 HA ASP 28 11.002 9.475 -0.112 256 HB2 ASP 28 2HB ASP 28 9.065 9.957 -1.746 257 HB3 ASP 28 1HB ASP 28 8.006 9.713 -0.358 258 H ALA 29 H ALA 29 10.032 10.667 1.865 259 HA ALA 29 HA ALA 29 10.038 8.864 4.049 260 HB1 ALA 29 3HB ALA 29 9.782 10.785 5.433 261 HB2 ALA 29 1HB ALA 29 9.052 11.717 4.127 262 HB3 ALA 29 2HB ALA 29 10.764 11.301 4.062 263 H THR 30 H THR 30 7.463 10.522 2.300 264 HA THR 30 HA THR 30 5.352 9.972 4.083 265 HB THR 30 HB THR 30 3.958 10.792 2.419 266 HG1 THR 30 HG1 THR 30 3.903 9.816 0.576 267 HG21 THR 30 3HG2 THR 30 6.519 11.621 1.081 268 HG22 THR 30 1HG2 THR 30 6.154 12.196 2.708 269 HG23 THR 30 2HG2 THR 30 5.066 12.574 1.372 270 H PHE 31 H PHE 31 6.315 8.247 1.116 271 HA PHE 31 HA PHE 31 4.492 6.136 1.382 272 HB2 PHE 31 2HB PHE 31 7.197 6.240 0.034 273 HB3 PHE 31 1HB PHE 31 6.083 4.882 -0.115 274 HD1 PHE 31 HD2 PHE 31 3.582 5.563 -0.739 275 HD2 PHE 31 HD1 PHE 31 7.055 7.955 -1.559 276 HE1 PHE 31 HE2 PHE 31 2.337 6.767 -2.514 277 HE2 PHE 31 HE1 PHE 31 5.809 9.160 -3.328 278 HZ PHE 31 HZ PHE 31 3.451 8.564 -3.808 279 H ASP 32 H ASP 32 7.365 6.846 3.101 280 HA ASP 32 HA ASP 32 7.960 4.143 3.922 281 HB2 ASP 32 2HB ASP 32 9.640 6.022 3.803 282 HB3 ASP 32 1HB ASP 32 8.871 6.704 5.232 283 H SER 33 H SER 33 6.512 6.989 5.497 284 HA SER 33 HA SER 33 5.867 5.560 7.900 285 HB2 SER 33 2HB SER 33 4.572 7.590 8.466 286 HB3 SER 33 1HB SER 33 6.211 7.973 7.949 287 HG SER 33 HG SER 33 4.813 9.316 6.855 288 H VAL 34 H VAL 34 4.171 6.354 4.915 289 HA VAL 34 HA VAL 34 1.566 5.654 5.764 290 HB VAL 34 HB VAL 34 2.832 5.608 3.016 291 HG11 VAL 34 1HG1 VAL 34 -0.023 5.270 3.941 292 HG12 VAL 34 2HG1 VAL 34 0.901 4.209 2.885 293 HG13 VAL 34 3HG1 VAL 34 0.374 5.788 2.306 294 HG21 VAL 34 3HG2 VAL 34 0.852 7.644 4.036 295 HG22 VAL 34 1HG2 VAL 34 2.071 7.812 2.776 296 HG23 VAL 34 2HG2 VAL 34 2.550 7.804 4.472 297 H LEU 35 H LEU 35 4.013 3.772 3.941 298 HA LEU 35 HA LEU 35 2.470 1.367 3.970 299 HB2 LEU 35 2HB LEU 35 5.301 2.095 3.328 300 HB3 LEU 35 1HB LEU 35 4.920 0.393 3.552 301 HG LEU 35 HG LEU 35 3.242 0.472 1.819 302 HD11 LEU 35 1HD1 LEU 35 3.108 2.745 0.495 303 HD12 LEU 35 2HD1 LEU 35 3.682 3.447 2.006 304 HD13 LEU 35 3HD1 LEU 35 2.178 2.539 1.973 305 HD21 LEU 35 3HD2 LEU 35 5.674 0.274 1.180 306 HD22 LEU 35 1HD2 LEU 35 5.659 2.003 0.828 307 HD23 LEU 35 2HD2 LEU 35 4.638 0.906 -0.100 308 H SER 36 H SER 36 5.058 2.613 6.038 309 HA SER 36 HA SER 36 5.394 0.309 7.610 310 HB2 SER 36 2HB SER 36 5.780 3.218 8.338 311 HB3 SER 36 1HB SER 36 6.366 1.857 9.289 312 HG SER 36 HG SER 36 7.367 1.218 7.161 313 H LYS 37 H LYS 37 3.288 3.132 8.053 314 HA LYS 37 HA LYS 37 2.158 2.181 10.504 315 HB2 LYS 37 2HB LYS 37 1.335 4.340 8.559 316 HB3 LYS 37 1HB LYS 37 0.447 3.993 10.043 317 HG2 LYS 37 2HG LYS 37 2.456 4.422 11.378 318 HG3 LYS 37 1HG LYS 37 3.393 4.706 9.914 319 HD2 LYS 37 2HD LYS 37 1.931 6.613 9.345 320 HD3 LYS 37 1HD LYS 37 0.994 6.331 10.813 321 HE2 LYS 37 2HE LYS 37 3.012 6.724 12.179 322 HE3 LYS 37 1HE LYS 37 3.950 7.007 10.711 323 HZ1 LYS 37 3HZ LYS 37 3.314 9.111 11.508 324 HZ2 LYS 37 1HZ LYS 37 1.713 8.626 11.780 325 HZ3 LYS 37 2HZ LYS 37 2.290 8.798 10.192 326 H ALA 38 H ALA 38 1.045 2.247 7.132 327 HA ALA 38 HA ALA 38 -1.440 0.952 7.705 328 HB1 ALA 38 3HB ALA 38 0.036 1.355 5.092 329 HB2 ALA 38 1HB ALA 38 -1.226 2.392 5.753 330 HB3 ALA 38 2HB ALA 38 -1.613 0.751 5.236 331 H CYS 39 H CYS 39 0.688 -0.321 5.237 332 HA CYS 39 HA CYS 39 0.094 -3.022 5.967 333 HB2 CYS 39 2HB CYS 39 1.409 -3.648 4.095 334 HB3 CYS 39 1HB CYS 39 0.635 -2.135 3.635 335 HG CYS 39 HG CYS 39 3.650 -2.518 4.121 336 H SER 40 H SER 40 1.132 -1.820 8.218 337 HA SER 40 HA SER 40 3.893 -2.080 8.618 338 HB2 SER 40 2HB SER 40 3.439 -1.714 10.866 339 HB3 SER 40 1HB SER 40 1.951 -1.110 10.144 340 HG SER 40 HG SER 40 0.902 -2.870 10.783 341 H GLU 41 H GLU 41 1.337 -4.445 8.541 342 HA GLU 41 HA GLU 41 3.310 -6.594 8.622 343 HB2 GLU 41 2HB GLU 41 2.722 -6.241 11.008 344 HB3 GLU 41 1HB GLU 41 1.026 -6.515 10.609 345 HG2 GLU 41 2HG GLU 41 1.569 -8.778 9.799 346 HG3 GLU 41 1HG GLU 41 3.272 -8.502 10.163 347 H PHE 42 H PHE 42 2.687 -8.359 7.468 348 HA PHE 42 HA PHE 42 -0.136 -8.526 6.598 349 HB2 PHE 42 2HB PHE 42 1.993 -7.649 4.944 350 HB3 PHE 42 1HB PHE 42 1.679 -9.304 4.435 351 HD1 PHE 42 HD2 PHE 42 -0.895 -9.930 4.234 352 HD2 PHE 42 HD1 PHE 42 0.689 -5.949 4.010 353 HE1 PHE 42 HE2 PHE 42 -2.926 -9.198 3.026 354 HE2 PHE 42 HE1 PHE 42 -1.344 -5.208 2.811 355 HZ PHE 42 HZ PHE 42 -3.152 -6.835 2.315 356 H GLU 43 H GLU 43 -0.938 -10.537 6.464 357 HA GLU 43 HA GLU 43 0.934 -12.810 6.854 358 HB2 GLU 43 2HB GLU 43 -1.349 -13.729 8.028 359 HB3 GLU 43 1HB GLU 43 -0.067 -12.911 8.919 360 HG2 GLU 43 2HG GLU 43 -2.329 -11.965 9.384 361 HG3 GLU 43 1HG GLU 43 -1.208 -10.776 8.724 362 H VAL 44 H VAL 44 0.897 -14.157 5.215 363 HA VAL 44 HA VAL 44 -1.675 -14.806 3.929 364 HB VAL 44 HB VAL 44 -0.693 -14.552 1.689 365 HG11 VAL 44 1HG1 VAL 44 -0.910 -12.170 1.576 366 HG12 VAL 44 2HG1 VAL 44 -0.387 -11.980 3.250 367 HG13 VAL 44 3HG1 VAL 44 -1.960 -12.693 2.893 368 HG21 VAL 44 3HG2 VAL 44 1.646 -13.486 3.289 369 HG22 VAL 44 1HG2 VAL 44 1.436 -13.153 1.571 370 HG23 VAL 44 2HG2 VAL 44 1.651 -14.812 2.126 371 H ASP 45 H ASP 45 -1.506 -16.731 2.552 372 HA ASP 45 HA ASP 45 0.288 -18.701 3.769 373 HB2 ASP 45 2HB ASP 45 -2.166 -19.135 3.458 374 HB3 ASP 45 1HB ASP 45 -1.885 -19.147 1.718 375 H LYS 46 H LYS 46 1.180 -20.401 2.226 376 HA LYS 46 HA LYS 46 2.872 -19.061 0.309 377 HB2 LYS 46 2HB LYS 46 2.585 -21.951 1.144 378 HB3 LYS 46 1HB LYS 46 3.751 -21.390 -0.057 379 HG2 LYS 46 2HG LYS 46 4.803 -19.925 1.568 380 HG3 LYS 46 1HG LYS 46 3.569 -20.307 2.766 381 HD2 LYS 46 2HD LYS 46 5.419 -21.684 3.349 382 HD3 LYS 46 1HD LYS 46 4.299 -22.758 2.514 383 HE2 LYS 46 2HE LYS 46 5.585 -22.704 0.504 384 HE3 LYS 46 1HE LYS 46 6.547 -21.337 1.065 385 HZ1 LYS 46 3HZ LYS 46 6.563 -24.100 2.133 386 HZ2 LYS 46 1HZ LYS 46 7.361 -22.797 2.868 387 HZ3 LYS 46 2HZ LYS 46 7.819 -23.303 1.313 388 H ASP 47 H ASP 47 0.121 -18.891 -0.377 389 HA ASP 47 HA ASP 47 0.003 -20.577 -2.827 390 HB2 ASP 47 2HB ASP 47 -1.782 -21.043 -1.145 391 HB3 ASP 47 1HB ASP 47 -2.320 -19.372 -1.308 392 H VAL 48 H VAL 48 -0.149 -17.378 -1.458 393 HA VAL 48 HA VAL 48 -1.147 -16.125 -3.864 394 HB VAL 48 HB VAL 48 -0.374 -14.011 -2.600 395 HG11 VAL 48 1HG1 VAL 48 -2.391 -15.942 -1.415 396 HG12 VAL 48 2HG1 VAL 48 -2.702 -14.689 -2.618 397 HG13 VAL 48 3HG1 VAL 48 -2.273 -14.239 -0.967 398 HG21 VAL 48 3HG2 VAL 48 1.211 -15.526 -1.151 399 HG22 VAL 48 1HG2 VAL 48 -0.250 -15.872 -0.224 400 HG23 VAL 48 2HG2 VAL 48 0.335 -14.217 -0.365 401 H THR 49 H THR 49 -0.010 -15.477 -5.566 402 HA THR 49 HA THR 49 2.877 -15.889 -5.597 403 HB THR 49 HB THR 49 2.707 -15.447 -7.977 404 HG1 THR 49 HG1 THR 49 1.064 -13.774 -7.650 405 HG21 THR 49 3HG2 THR 49 0.333 -17.092 -7.060 406 HG22 THR 49 1HG2 THR 49 1.997 -17.674 -7.091 407 HG23 THR 49 2HG2 THR 49 1.185 -17.245 -8.596 408 H LEU 50 H LEU 50 4.344 -14.237 -6.342 409 HA LEU 50 HA LEU 50 4.368 -11.900 -4.904 410 HB2 LEU 50 2HB LEU 50 5.872 -11.012 -6.804 411 HB3 LEU 50 1HB LEU 50 6.392 -12.465 -5.952 412 HG LEU 50 HG LEU 50 4.616 -13.022 -8.288 413 HD11 LEU 50 1HD1 LEU 50 6.371 -12.628 -9.964 414 HD12 LEU 50 2HD1 LEU 50 7.385 -11.883 -8.727 415 HD13 LEU 50 3HD1 LEU 50 5.864 -11.122 -9.197 416 HD21 LEU 50 3HD2 LEU 50 6.305 -14.766 -8.690 417 HD22 LEU 50 1HD2 LEU 50 5.816 -14.775 -6.997 418 HD23 LEU 50 2HD2 LEU 50 7.351 -14.051 -7.463 419 H ASP 51 H ASP 51 2.935 -12.461 -8.101 420 HA ASP 51 HA ASP 51 2.303 -9.786 -8.724 421 HB2 ASP 51 2HB ASP 51 1.024 -12.410 -9.510 422 HB3 ASP 51 1HB ASP 51 0.500 -10.857 -10.161 423 H GLU 52 H GLU 52 0.422 -12.317 -7.068 424 HA GLU 52 HA GLU 52 -1.862 -10.678 -6.597 425 HB2 GLU 52 2HB GLU 52 -0.898 -13.226 -5.290 426 HB3 GLU 52 1HB GLU 52 -2.439 -12.455 -4.907 427 HG2 GLU 52 2HG GLU 52 -3.127 -12.634 -7.262 428 HG3 GLU 52 1HG GLU 52 -1.577 -13.372 -7.667 429 H LEU 53 H LEU 53 1.098 -11.350 -4.817 430 HA LEU 53 HA LEU 53 0.320 -10.203 -2.367 431 HB2 LEU 53 2HB LEU 53 2.306 -11.613 -2.544 432 HB3 LEU 53 1HB LEU 53 3.072 -10.444 -3.615 433 HG LEU 53 HG LEU 53 3.061 -8.759 -1.810 434 HD11 LEU 53 1HD1 LEU 53 2.490 -9.791 0.548 435 HD12 LEU 53 2HD1 LEU 53 1.513 -10.922 -0.390 436 HD13 LEU 53 3HD1 LEU 53 1.186 -9.192 -0.476 437 HD21 LEU 53 3HD2 LEU 53 4.932 -10.442 -2.053 438 HD22 LEU 53 1HD2 LEU 53 4.167 -11.370 -0.762 439 HD23 LEU 53 2HD2 LEU 53 4.763 -9.741 -0.442 440 H LEU 54 H LEU 54 1.917 -8.838 -5.218 441 HA LEU 54 HA LEU 54 2.289 -6.235 -4.153 442 HB2 LEU 54 2HB LEU 54 2.126 -7.245 -6.994 443 HB3 LEU 54 1HB LEU 54 2.550 -5.588 -6.570 444 HG LEU 54 HG LEU 54 4.023 -7.991 -5.454 445 HD11 LEU 54 1HD1 LEU 54 4.890 -6.269 -7.789 446 HD12 LEU 54 2HD1 LEU 54 4.143 -7.857 -7.979 447 HD13 LEU 54 3HD1 LEU 54 5.699 -7.703 -7.161 448 HD21 LEU 54 3HD2 LEU 54 4.558 -6.140 -4.098 449 HD22 LEU 54 1HD2 LEU 54 4.452 -4.996 -5.436 450 HD23 LEU 54 2HD2 LEU 54 5.834 -6.083 -5.306 451 H ASP 55 H ASP 55 -0.286 -7.746 -6.020 452 HA ASP 55 HA ASP 55 -1.787 -5.339 -6.383 453 HB2 ASP 55 2HB ASP 55 -2.069 -7.297 -7.844 454 HB3 ASP 55 1HB ASP 55 -2.695 -8.225 -6.483 455 H VAL 56 H VAL 56 -1.966 -8.013 -4.068 456 HA VAL 56 HA VAL 56 -4.271 -7.082 -2.708 457 HB VAL 56 HB VAL 56 -2.039 -8.946 -1.881 458 HG11 VAL 56 1HG1 VAL 56 -3.768 -9.618 -0.077 459 HG12 VAL 56 2HG1 VAL 56 -4.521 -8.057 -0.402 460 HG13 VAL 56 3HG1 VAL 56 -2.862 -8.128 0.192 461 HG21 VAL 56 3HG2 VAL 56 -4.944 -9.586 -2.437 462 HG22 VAL 56 1HG2 VAL 56 -3.564 -10.683 -2.421 463 HG23 VAL 56 2HG2 VAL 56 -3.750 -9.525 -3.737 464 H VAL 57 H VAL 57 -0.807 -6.870 -1.869 465 HA VAL 57 HA VAL 57 -1.115 -5.412 0.494 466 HB VAL 57 HB VAL 57 1.003 -6.507 -0.347 467 HG11 VAL 57 1HG1 VAL 57 2.371 -5.401 -1.945 468 HG12 VAL 57 2HG1 VAL 57 1.392 -3.933 -1.878 469 HG13 VAL 57 3HG1 VAL 57 0.749 -5.389 -2.624 470 HG21 VAL 57 3HG2 VAL 57 2.466 -4.853 0.685 471 HG22 VAL 57 1HG2 VAL 57 0.940 -4.905 1.565 472 HG23 VAL 57 2HG2 VAL 57 1.262 -3.590 0.435 473 H LEU 58 H LEU 58 -0.680 -4.288 -2.871 474 HA LEU 58 HA LEU 58 -0.586 -1.546 -2.267 475 HB2 LEU 58 2HB LEU 58 0.055 -2.398 -4.462 476 HB3 LEU 58 1HB LEU 58 -1.582 -2.983 -4.746 477 HG LEU 58 HG LEU 58 -2.446 -0.686 -4.709 478 HD11 LEU 58 1HD1 LEU 58 0.386 -0.084 -3.867 479 HD12 LEU 58 2HD1 LEU 58 -1.128 0.517 -3.196 480 HD13 LEU 58 3HD1 LEU 58 -0.541 1.141 -4.735 481 HD21 LEU 58 3HD2 LEU 58 0.014 -0.827 -6.469 482 HD22 LEU 58 1HD2 LEU 58 -1.453 0.104 -6.762 483 HD23 LEU 58 2HD2 LEU 58 -1.500 -1.659 -6.825 484 H ASP 59 H ASP 59 -3.328 -3.503 -3.421 485 HA ASP 59 HA ASP 59 -5.310 -1.550 -3.222 486 HB2 ASP 59 2HB ASP 59 -5.528 -3.853 -4.264 487 HB3 ASP 59 1HB ASP 59 -5.736 -4.484 -2.632 488 H ALA 60 H ALA 60 -3.893 -3.631 -0.776 489 HA ALA 60 HA ALA 60 -5.762 -3.236 1.287 490 HB1 ALA 60 3HB ALA 60 -2.786 -3.554 1.717 491 HB2 ALA 60 1HB ALA 60 -3.819 -4.892 1.215 492 HB3 ALA 60 2HB ALA 60 -4.104 -4.094 2.757 493 H VAL 61 H VAL 61 -2.719 -1.515 0.589 494 HA VAL 61 HA VAL 61 -3.005 0.394 2.669 495 HB VAL 61 HB VAL 61 -1.446 0.531 0.079 496 HG11 VAL 61 1HG1 VAL 61 -0.113 2.243 1.455 497 HG12 VAL 61 2HG1 VAL 61 -1.512 2.303 2.528 498 HG13 VAL 61 3HG1 VAL 61 -1.676 2.775 0.836 499 HG21 VAL 61 3HG2 VAL 61 -0.797 -1.316 1.589 500 HG22 VAL 61 1HG2 VAL 61 -0.636 -0.171 2.920 501 HG23 VAL 61 2HG2 VAL 61 0.455 -0.075 1.537 502 H GLU 62 H GLU 62 -3.855 0.448 -0.770 503 HA GLU 62 HA GLU 62 -4.720 3.132 -0.870 504 HB2 GLU 62 2HB GLU 62 -4.272 1.843 -2.895 505 HB3 GLU 62 1HB GLU 62 -5.607 0.752 -2.520 506 HG2 GLU 62 2HG GLU 62 -6.083 3.724 -2.750 507 HG3 GLU 62 1HG GLU 62 -6.026 2.717 -4.194 508 H SER 63 H SER 63 -6.523 0.116 -0.302 509 HA SER 63 HA SER 63 -9.077 1.255 -0.091 510 HB2 SER 63 2HB SER 63 -8.980 -1.095 -0.288 511 HB3 SER 63 1HB SER 63 -7.835 -1.245 1.043 512 HG SER 63 HG SER 63 -10.586 -0.576 1.126 513 H THR 64 H THR 64 -6.700 0.466 2.455 514 HA THR 64 HA THR 64 -8.197 1.372 4.637 515 HB THR 64 HB THR 64 -5.193 1.399 4.256 516 HG1 THR 64 HG1 THR 64 -5.399 -0.591 5.406 517 HG21 THR 64 3HG2 THR 64 -6.948 1.622 6.709 518 HG22 THR 64 1HG2 THR 64 -5.759 2.791 6.136 519 HG23 THR 64 2HG2 THR 64 -5.229 1.237 6.779 520 H LEU 65 H LEU 65 -5.867 3.099 2.579 521 HA LEU 65 HA LEU 65 -6.729 5.663 3.798 522 HB2 LEU 65 2HB LEU 65 -4.289 5.021 2.122 523 HB3 LEU 65 1HB LEU 65 -4.665 6.587 2.843 524 HG LEU 65 HG LEU 65 -4.351 4.031 4.435 525 HD11 LEU 65 1HD1 LEU 65 -2.212 4.609 3.381 526 HD12 LEU 65 2HD1 LEU 65 -2.140 4.978 5.103 527 HD13 LEU 65 3HD1 LEU 65 -2.369 6.276 3.932 528 HD21 LEU 65 3HD2 LEU 65 -5.590 5.512 5.778 529 HD22 LEU 65 1HD2 LEU 65 -4.783 6.939 5.134 530 HD23 LEU 65 2HD2 LEU 65 -3.940 5.878 6.263 531 H SER 66 H SER 66 -8.711 5.448 2.523 532 HA SER 66 HA SER 66 -8.604 5.600 -0.341 533 HB2 SER 66 2HB SER 66 -11.061 6.727 0.775 534 HB3 SER 66 1HB SER 66 -10.848 5.234 -0.140 535 HG SER 66 HG SER 66 -10.478 4.154 1.714 536 HA PRO 67 HA PRO 67 -9.456 10.312 0.686 537 HB2 PRO 67 2HB PRO 67 -7.847 10.508 3.201 538 HB3 PRO 67 1HB PRO 67 -9.411 11.249 2.810 539 HG2 PRO 67 2HG PRO 67 -9.246 9.191 4.494 540 HG3 PRO 67 1HG PRO 67 -10.596 9.336 3.352 541 HD2 PRO 67 2HD PRO 67 -8.170 7.576 3.190 542 HD3 PRO 67 1HD PRO 67 -9.857 7.213 2.770 543 H CYS 68 H CYS 68 -8.148 10.928 -0.964 544 HA CYS 68 HA CYS 68 -5.263 11.254 -0.390 545 HB2 CYS 68 2HB CYS 68 -6.211 10.408 -3.119 546 HB3 CYS 68 1HB CYS 68 -4.604 10.261 -2.404 547 HG CYS 68 HG CYS 68 -5.759 8.443 -0.734 548 H LYS 69 H LYS 69 -7.703 11.967 -2.891 549 HA LYS 69 HA LYS 69 -6.451 14.382 -3.712 550 HB2 LYS 69 2HB LYS 69 -9.272 13.364 -4.119 551 HB3 LYS 69 1HB LYS 69 -8.589 14.780 -4.918 552 HG2 LYS 69 2HG LYS 69 -6.883 13.439 -5.990 553 HG3 LYS 69 1HG LYS 69 -7.375 12.009 -5.080 554 HD2 LYS 69 2HD LYS 69 -8.327 11.896 -7.326 555 HD3 LYS 69 1HD LYS 69 -9.620 12.136 -6.152 556 HE2 LYS 69 2HE LYS 69 -8.355 14.556 -7.422 557 HE3 LYS 69 1HE LYS 69 -9.535 13.618 -8.341 558 HZ1 LYS 69 3HZ LYS 69 -11.077 14.740 -7.240 559 HZ2 LYS 69 1HZ LYS 69 -9.953 15.390 -6.150 560 HZ3 LYS 69 2HZ LYS 69 -10.637 13.862 -5.854 561 H GLU 70 H GLU 70 -8.202 13.605 -0.953 562 HA GLU 70 HA GLU 70 -9.640 16.056 -0.588 563 HB2 GLU 70 2HB GLU 70 -8.820 13.877 1.340 564 HB3 GLU 70 1HB GLU 70 -9.832 15.253 1.786 565 HG2 GLU 70 2HG GLU 70 -11.482 14.614 0.083 566 HG3 GLU 70 1HG GLU 70 -10.464 13.262 -0.413 567 H HIS 71 H HIS 71 -6.531 14.800 0.566 568 HA HIS 71 HA HIS 71 -5.900 17.475 1.673 569 HB2 HIS 71 2HB HIS 71 -5.740 15.237 3.049 570 HB3 HIS 71 1HB HIS 71 -4.224 15.019 2.176 571 HD1 HIS 71 HD1 HIS 71 -3.152 17.859 2.071 572 HD2 HIS 71 HD2 HIS 71 -4.927 16.263 5.489 573 HE1 HIS 71 HE1 HIS 71 -2.303 19.226 4.024 574 H ASP 72 H ASP 72 -4.306 18.674 0.831 575 HA ASP 72 HA ASP 72 -3.288 18.129 -1.735 576 HB2 ASP 72 2HB ASP 72 -3.517 20.397 -0.658 577 HB3 ASP 72 1HB ASP 72 -2.087 20.014 0.299 578 H VAL 73 H VAL 73 -1.970 17.573 1.492 579 HA VAL 73 HA VAL 73 0.684 16.991 0.771 580 HB VAL 73 HB VAL 73 -1.033 15.945 3.037 581 HG11 VAL 73 1HG1 VAL 73 0.747 14.366 2.786 582 HG12 VAL 73 2HG1 VAL 73 1.252 15.458 4.077 583 HG13 VAL 73 3HG1 VAL 73 1.920 15.639 2.457 584 HG21 VAL 73 3HG2 VAL 73 1.206 17.979 3.118 585 HG22 VAL 73 1HG2 VAL 73 -0.033 17.672 4.337 586 HG23 VAL 73 2HG2 VAL 73 -0.466 18.447 2.813 587 H ILE 74 H ILE 74 -2.136 14.843 1.135 588 HA ILE 74 HA ILE 74 -0.654 12.545 0.145 589 HB ILE 74 HB ILE 74 -3.619 12.800 0.661 590 HG12 ILE 74 2HG1 ILE 74 -1.450 11.748 2.500 591 HG13 ILE 74 1HG1 ILE 74 -2.153 13.356 2.648 592 HG21 ILE 74 1HG2 ILE 74 -3.437 10.336 0.909 593 HG22 ILE 74 2HG2 ILE 74 -1.738 10.437 0.447 594 HG23 ILE 74 3HG2 ILE 74 -2.992 10.879 -0.707 595 HD11 ILE 74 3HD1 ILE 74 -3.575 10.703 2.922 596 HD12 ILE 74 1HD1 ILE 74 -4.422 12.246 2.795 597 HD13 ILE 74 2HD1 ILE 74 -3.352 11.935 4.164 598 H GLY 75 H GLY 75 -2.793 15.001 -1.074 599 HA2 GLY 75 2HA GLY 75 -3.995 14.105 -3.290 600 HA3 GLY 75 1HA GLY 75 -3.081 15.608 -3.327 601 H THR 76 H THR 76 -0.548 15.047 -3.402 602 HA THR 76 HA THR 76 0.142 14.275 -5.926 603 HB THR 76 HB THR 76 1.830 13.651 -3.495 604 HG1 THR 76 HG1 THR 76 1.278 16.051 -4.877 605 HG21 THR 76 3HG2 THR 76 3.677 14.131 -5.079 606 HG22 THR 76 1HG2 THR 76 2.493 14.364 -6.365 607 HG23 THR 76 2HG2 THR 76 2.687 12.776 -5.624 608 H LYS 77 H LYS 77 -0.795 12.213 -3.332 609 HA LYS 77 HA LYS 77 0.335 9.769 -4.102 610 HB2 LYS 77 2HB LYS 77 -0.854 10.157 -1.938 611 HB3 LYS 77 1HB LYS 77 -2.368 10.194 -2.828 612 HG2 LYS 77 2HG LYS 77 -2.006 7.916 -3.604 613 HG3 LYS 77 1HG LYS 77 -0.452 7.881 -2.791 614 HD2 LYS 77 2HD LYS 77 -1.570 8.198 -0.619 615 HD3 LYS 77 1HD LYS 77 -3.132 8.212 -1.439 616 HE2 LYS 77 2HE LYS 77 -2.716 5.921 -2.270 617 HE3 LYS 77 1HE LYS 77 -1.161 5.906 -1.439 618 HZ1 LYS 77 3HZ LYS 77 -3.622 5.214 -0.393 619 HZ2 LYS 77 1HZ LYS 77 -3.217 6.690 0.337 620 HZ3 LYS 77 2HZ LYS 77 -2.154 5.370 0.447 621 H VAL 78 H VAL 78 -2.711 11.329 -5.068 622 HA VAL 78 HA VAL 78 -3.805 9.265 -6.578 623 HB VAL 78 HB VAL 78 -4.810 11.560 -6.007 624 HG11 VAL 78 1HG1 VAL 78 -3.622 12.384 -8.663 625 HG12 VAL 78 2HG1 VAL 78 -2.795 12.736 -7.152 626 HG13 VAL 78 3HG1 VAL 78 -4.401 13.398 -7.450 627 HG21 VAL 78 3HG2 VAL 78 -5.050 10.364 -8.783 628 HG22 VAL 78 1HG2 VAL 78 -6.162 11.570 -8.137 629 HG23 VAL 78 2HG2 VAL 78 -6.038 9.985 -7.371 630 H CYS 79 H CYS 79 -1.320 11.626 -7.436 631 HA CYS 79 HA CYS 79 -1.196 10.938 -10.200 632 HB2 CYS 79 2HB CYS 79 0.864 12.253 -8.413 633 HB3 CYS 79 1HB CYS 79 0.935 12.188 -10.173 634 HG CYS 79 HG CYS 79 -0.243 14.417 -9.699 635 H ALA 80 H ALA 80 0.845 10.098 -7.395 636 HA ALA 80 HA ALA 80 2.583 8.368 -8.819 637 HB1 ALA 80 3HB ALA 80 3.239 9.232 -6.666 638 HB2 ALA 80 1HB ALA 80 3.144 7.473 -6.550 639 HB3 ALA 80 2HB ALA 80 1.848 8.472 -5.887 640 H LEU 81 H LEU 81 -0.322 7.709 -6.894 641 HA LEU 81 HA LEU 81 -0.281 4.923 -7.152 642 HB2 LEU 81 2HB LEU 81 -1.691 6.035 -5.493 643 HB3 LEU 81 1HB LEU 81 -2.635 6.801 -6.769 644 HG LEU 81 HG LEU 81 -3.370 4.578 -7.570 645 HD11 LEU 81 1HD1 LEU 81 -2.826 2.656 -5.829 646 HD12 LEU 81 2HD1 LEU 81 -1.425 3.663 -5.459 647 HD13 LEU 81 3HD1 LEU 81 -1.667 3.055 -7.097 648 HD21 LEU 81 3HD2 LEU 81 -3.758 4.849 -4.580 649 HD22 LEU 81 1HD2 LEU 81 -4.825 4.027 -5.716 650 HD23 LEU 81 2HD2 LEU 81 -4.644 5.780 -5.790 651 H LEU 82 H LEU 82 -1.787 7.459 -9.116 652 HA LEU 82 HA LEU 82 -3.208 5.787 -10.862 653 HB2 LEU 82 2HB LEU 82 -3.597 8.174 -10.762 654 HB3 LEU 82 1HB LEU 82 -1.957 8.498 -11.325 655 HG LEU 82 HG LEU 82 -3.495 6.666 -13.109 656 HD11 LEU 82 1HD1 LEU 82 -4.349 9.552 -12.772 657 HD12 LEU 82 2HD1 LEU 82 -5.335 8.124 -12.465 658 HD13 LEU 82 3HD1 LEU 82 -4.829 8.508 -14.111 659 HD21 LEU 82 3HD2 LEU 82 -2.393 7.899 -14.825 660 HD22 LEU 82 1HD2 LEU 82 -1.219 7.811 -13.512 661 HD23 LEU 82 2HD2 LEU 82 -2.139 9.290 -13.772 662 H ASP 83 H ASP 83 0.096 7.087 -11.064 663 HA ASP 83 HA ASP 83 0.730 6.004 -13.597 664 HB2 ASP 83 2HB ASP 83 2.040 7.761 -12.367 665 HB3 ASP 83 1HB ASP 83 2.641 6.489 -11.304 666 H ARG 84 H ARG 84 1.155 4.733 -10.304 667 HA ARG 84 HA ARG 84 2.486 2.346 -11.066 668 HB2 ARG 84 2HB ARG 84 0.886 3.095 -8.618 669 HB3 ARG 84 1HB ARG 84 1.704 1.543 -8.790 670 HG2 ARG 84 2HG ARG 84 3.853 2.692 -9.111 671 HG3 ARG 84 1HG ARG 84 3.047 4.256 -8.979 672 HD2 ARG 84 2HD ARG 84 2.313 3.676 -6.690 673 HD3 ARG 84 1HD ARG 84 3.151 2.132 -6.818 674 HE ARG 84 HE ARG 84 4.378 4.754 -6.457 675 HH11 ARG 84 1HH2 ARG 84 4.733 1.414 -7.279 676 HH12 ARG 84 2HH2 ARG 84 6.430 1.366 -6.937 677 HH21 ARG 84 1HH1 ARG 84 6.602 4.704 -6.008 678 HH22 ARG 84 2HH1 ARG 84 7.490 3.230 -6.218 679 H LEU 85 H LEU 85 -0.927 3.117 -10.495 680 HA LEU 85 HA LEU 85 -1.789 0.427 -11.007 681 HB2 LEU 85 2HB LEU 85 -2.930 2.609 -9.756 682 HB3 LEU 85 1HB LEU 85 -3.817 2.589 -11.277 683 HG LEU 85 HG LEU 85 -3.481 0.200 -9.434 684 HD11 LEU 85 1HD1 LEU 85 -5.791 2.098 -9.875 685 HD12 LEU 85 2HD1 LEU 85 -4.894 1.845 -8.378 686 HD13 LEU 85 3HD1 LEU 85 -5.920 0.561 -9.018 687 HD21 LEU 85 3HD2 LEU 85 -4.936 0.674 -12.045 688 HD22 LEU 85 1HD2 LEU 85 -5.407 -0.625 -10.946 689 HD23 LEU 85 2HD2 LEU 85 -3.791 -0.605 -11.649 690 H ALA 86 H ALA 86 -0.815 2.987 -12.963 691 HA ALA 86 HA ALA 86 -2.541 2.812 -15.159 692 HB1 ALA 86 3HB ALA 86 -0.806 3.896 -16.417 693 HB2 ALA 86 1HB ALA 86 0.435 3.333 -15.297 694 HB3 ALA 86 2HB ALA 86 -0.740 4.542 -14.776 695 H GLY 87 H GLY 87 0.269 0.881 -14.248 696 HA2 GLY 87 2HA GLY 87 -0.391 -1.514 -15.284 697 HA3 GLY 87 1HA GLY 87 0.210 -0.668 -16.707 698 H ASP 88 H ASP 88 2.179 0.894 -15.262 699 HA ASP 88 HA ASP 88 4.271 -1.132 -15.100 700 HB2 ASP 88 2HB ASP 88 4.333 1.889 -14.998 701 HB3 ASP 88 1HB ASP 88 5.767 0.869 -14.877 702 H TYR 89 H TYR 89 4.656 -2.116 -13.230 703 HA TYR 89 HA TYR 89 4.586 -0.521 -10.726 704 HB2 TYR 89 2HB TYR 89 3.534 -2.344 -9.554 705 HB3 TYR 89 1HB TYR 89 2.537 -1.945 -10.950 706 HD1 TYR 89 HD2 TYR 89 2.829 -3.325 -13.087 707 HD2 TYR 89 HD1 TYR 89 4.432 -4.516 -9.288 708 HE1 TYR 89 HE2 TYR 89 3.052 -5.654 -13.908 709 HE2 TYR 89 HE1 TYR 89 4.664 -6.834 -10.107 710 HH TYR 89 HH TYR 89 3.954 -8.282 -11.762 711 H VAL 90 H VAL 90 6.115 -1.057 -9.210 712 HA VAL 90 HA VAL 90 8.597 -1.917 -10.022 713 HB VAL 90 HB VAL 90 9.040 -2.339 -7.568 714 HG11 VAL 90 1HG1 VAL 90 9.448 -0.136 -8.401 715 HG12 VAL 90 2HG1 VAL 90 8.488 0.074 -6.936 716 HG13 VAL 90 3HG1 VAL 90 7.721 0.213 -8.518 717 HG21 VAL 90 3HG2 VAL 90 6.651 -3.089 -7.139 718 HG22 VAL 90 1HG2 VAL 90 6.175 -1.395 -7.266 719 HG23 VAL 90 2HG2 VAL 90 7.274 -1.909 -5.985 720 H TYR 91 H TYR 91 9.762 -3.846 -9.844 721 HA TYR 91 HA TYR 91 8.088 -6.270 -9.941 722 HB2 TYR 91 2HB TYR 91 11.015 -5.972 -10.624 723 HB3 TYR 91 1HB TYR 91 9.952 -7.321 -11.027 724 HD1 TYR 91 HD2 TYR 91 7.762 -6.681 -12.366 725 HD2 TYR 91 HD1 TYR 91 11.319 -4.272 -12.214 726 HE1 TYR 91 HE2 TYR 91 7.073 -5.527 -14.452 727 HE2 TYR 91 HE1 TYR 91 10.627 -3.120 -14.295 728 HH TYR 91 HH TYR 91 9.036 -2.884 -15.821 729 H LEU 92 H LEU 92 8.994 -8.248 -8.944 730 HA LEU 92 HA LEU 92 10.527 -7.693 -6.475 731 HB2 LEU 92 2HB LEU 92 8.135 -7.834 -5.954 732 HB3 LEU 92 1HB LEU 92 8.061 -9.425 -6.713 733 HG LEU 92 HG LEU 92 10.237 -9.174 -4.680 734 HD11 LEU 92 1HD1 LEU 92 7.351 -9.149 -3.765 735 HD12 LEU 92 2HD1 LEU 92 8.458 -7.785 -3.639 736 HD13 LEU 92 3HD1 LEU 92 8.781 -9.266 -2.741 737 HD21 LEU 92 3HD2 LEU 92 9.607 -11.401 -4.166 738 HD22 LEU 92 1HD2 LEU 92 9.322 -11.269 -5.903 739 HD23 LEU 92 2HD2 LEU 92 7.970 -11.174 -4.777 740 H PHE 93 H PHE 93 12.197 -9.009 -6.185 741 HA PHE 93 HA PHE 93 12.143 -11.726 -7.327 742 HB2 PHE 93 2HB PHE 93 14.423 -9.792 -7.788 743 HB3 PHE 93 1HB PHE 93 14.329 -11.459 -8.354 744 HD1 PHE 93 HD2 PHE 93 12.010 -11.996 -9.644 745 HD2 PHE 93 HD1 PHE 93 13.872 -8.138 -9.353 746 HE1 PHE 93 HE2 PHE 93 10.795 -11.254 -11.676 747 HE2 PHE 93 HE1 PHE 93 12.667 -7.403 -11.385 748 HZ PHE 93 HZ PHE 93 11.121 -8.957 -12.544 749 H ASP 94 H ASP 94 13.577 -13.181 -6.325 750 HA ASP 94 HA ASP 94 14.124 -12.572 -3.562 751 HB2 ASP 94 2HB ASP 94 14.885 -14.899 -3.439 752 HB3 ASP 94 1HB ASP 94 13.331 -14.801 -4.265 753 H GLU 95 H GLU 95 16.488 -14.110 -3.226 754 HA GLU 95 HA GLU 95 18.461 -12.098 -3.709 755 HB2 GLU 95 2HB GLU 95 18.642 -14.922 -2.641 756 HB3 GLU 95 1HB GLU 95 20.024 -13.828 -2.747 757 HG2 GLU 95 2HG GLU 95 18.853 -12.197 -1.322 758 HG3 GLU 95 1HG GLU 95 17.461 -13.270 -1.232 759 H GLY 96 H GLY 96 17.547 -12.594 -6.173 760 HA2 GLY 96 2HA GLY 96 19.819 -13.200 -7.678 761 HA3 GLY 96 1HA GLY 96 18.833 -14.659 -7.619 762 H GLY 97 H GLY 97 17.483 -14.877 -9.273 763 HA2 GLY 97 2HA GLY 97 16.085 -12.505 -10.350 764 HA3 GLY 97 1HA GLY 97 16.990 -13.538 -11.453 765 H ASP 98 H ASP 98 15.819 -15.444 -8.995 766 HA ASP 98 HA ASP 98 13.706 -16.510 -10.717 767 HB2 ASP 98 2HB ASP 98 14.992 -17.501 -8.167 768 HB3 ASP 98 1HB ASP 98 13.640 -18.315 -8.952 769 H GLU 99 H GLU 99 11.707 -15.751 -10.523 770 HA GLU 99 HA GLU 99 10.809 -14.127 -8.394 771 HB2 GLU 99 2HB GLU 99 9.344 -15.643 -10.557 772 HB3 GLU 99 1HB GLU 99 8.519 -14.607 -9.397 773 HG2 GLU 99 2HG GLU 99 9.833 -12.691 -10.103 774 HG3 GLU 99 1HG GLU 99 10.782 -13.701 -11.191 775 H VAL 100 H VAL 100 11.218 -15.218 -6.443 776 HA VAL 100 HA VAL 100 9.230 -17.320 -5.811 777 HB VAL 100 HB VAL 100 12.179 -17.369 -5.131 778 HG11 VAL 100 1HG1 VAL 100 11.077 -18.096 -3.155 779 HG12 VAL 100 2HG1 VAL 100 11.466 -19.584 -4.017 780 HG13 VAL 100 3HG1 VAL 100 9.825 -18.938 -4.067 781 HG21 VAL 100 3HG2 VAL 100 10.357 -19.216 -6.705 782 HG22 VAL 100 1HG2 VAL 100 12.031 -19.584 -6.287 783 HG23 VAL 100 2HG2 VAL 100 11.666 -18.228 -7.356 784 H ILE 101 H ILE 101 8.158 -16.974 -3.948 785 HA ILE 101 HA ILE 101 8.558 -14.532 -2.523 786 HB ILE 101 HB ILE 101 6.898 -16.876 -1.588 787 HG12 ILE 101 2HG1 ILE 101 6.310 -16.605 -3.910 788 HG13 ILE 101 1HG1 ILE 101 5.058 -15.797 -2.967 789 HG21 ILE 101 1HG2 ILE 101 5.493 -15.100 -0.656 790 HG22 ILE 101 2HG2 ILE 101 6.516 -13.871 -1.398 791 HG23 ILE 101 3HG2 ILE 101 7.154 -14.886 -0.105 792 HD11 ILE 101 3HD1 ILE 101 6.461 -13.654 -3.275 793 HD12 ILE 101 1HD1 ILE 101 5.596 -14.257 -4.690 794 HD13 ILE 101 2HD1 ILE 101 7.329 -14.551 -4.520 795 H ALA 102 H ALA 102 9.811 -14.142 -0.821 796 HA ALA 102 HA ALA 102 10.394 -16.192 1.087 797 HB1 ALA 102 3HB ALA 102 12.974 -15.726 0.740 798 HB2 ALA 102 1HB ALA 102 12.459 -15.328 -0.902 799 HB3 ALA 102 2HB ALA 102 12.146 -16.934 -0.247 800 HA PRO 103 HA PRO 103 10.644 -12.804 3.932 801 HB2 PRO 103 2HB PRO 103 13.282 -13.958 4.801 802 HB3 PRO 103 1HB PRO 103 11.877 -13.497 5.785 803 HG2 PRO 103 2HG PRO 103 12.436 -16.062 5.218 804 HG3 PRO 103 1HG PRO 103 10.773 -15.468 5.376 805 HD2 PRO 103 2HD PRO 103 12.247 -16.272 2.923 806 HD3 PRO 103 1HD PRO 103 10.500 -16.233 3.247 807 H ARG 104 H ARG 104 13.687 -13.639 2.278 808 HA ARG 104 HA ARG 104 14.569 -10.828 2.377 809 HB2 ARG 104 2HB ARG 104 16.636 -11.829 1.263 810 HB3 ARG 104 1HB ARG 104 16.318 -12.323 2.926 811 HG2 ARG 104 2HG ARG 104 15.041 -14.028 0.818 812 HG3 ARG 104 1HG ARG 104 16.800 -14.110 0.904 813 HD2 ARG 104 2HD ARG 104 16.667 -14.624 3.305 814 HD3 ARG 104 1HD ARG 104 14.912 -14.542 3.231 815 HE ARG 104 HE ARG 104 15.861 -16.394 1.310 816 HH11 ARG 104 1HH2 ARG 104 15.487 -15.902 4.715 817 HH12 ARG 104 2HH2 ARG 104 15.331 -17.588 5.081 818 HH21 ARG 104 1HH1 ARG 104 15.658 -18.601 1.781 819 HH22 ARG 104 2HH1 ARG 104 15.426 -19.116 3.418 820 H MET 105 H MET 105 12.542 -10.550 0.905 821 HA MET 105 HA MET 105 13.221 -11.076 -1.931 822 HB2 MET 105 2HB MET 105 10.851 -10.449 -2.352 823 HB3 MET 105 1HB MET 105 11.012 -11.844 -1.284 824 HG2 MET 105 2HG MET 105 10.773 -10.304 0.677 825 HG3 MET 105 1HG MET 105 10.462 -8.983 -0.448 826 HE1 MET 105 3HE MET 105 8.166 -8.222 0.006 827 HE2 MET 105 1HE MET 105 8.426 -9.108 1.516 828 HE3 MET 105 2HE MET 105 6.900 -9.265 0.652 829 H TYR 106 H TYR 106 13.656 -9.451 -3.307 830 HA TYR 106 HA TYR 106 13.796 -6.725 -2.187 831 HB2 TYR 106 2HB TYR 106 15.880 -7.561 -3.118 832 HB3 TYR 106 1HB TYR 106 15.076 -7.964 -4.635 833 HD1 TYR 106 HD1 TYR 106 15.306 -4.992 -2.327 834 HD2 TYR 106 HD2 TYR 106 15.398 -6.435 -6.378 835 HE1 TYR 106 HE1 TYR 106 15.689 -2.691 -3.139 836 HE2 TYR 106 HE2 TYR 106 15.788 -4.130 -7.185 837 HH TYR 106 HH TYR 106 15.436 -1.384 -5.137 838 H CYS 107 H CYS 107 12.216 -5.365 -2.664 839 HA CYS 107 HA CYS 107 10.680 -5.755 -5.177 840 HB2 CYS 107 2HB CYS 107 9.571 -5.927 -2.816 841 HB3 CYS 107 1HB CYS 107 9.653 -4.167 -2.842 842 HG CYS 107 HG CYS 107 7.861 -5.903 -4.654 843 H SER 108 H SER 108 11.214 -4.347 -6.690 844 HA SER 108 HA SER 108 11.073 -1.544 -6.291 845 HB2 SER 108 2HB SER 108 13.294 -0.842 -6.285 846 HB3 SER 108 1HB SER 108 13.371 -2.266 -5.255 847 HG SER 108 HG SER 108 13.604 -3.090 -7.746 848 H PHE 109 H PHE 109 11.875 -0.344 -8.286 849 HA PHE 109 HA PHE 109 10.811 -1.619 -10.610 850 HB2 PHE 109 2HB PHE 109 10.608 0.789 -10.317 851 HB3 PHE 109 1HB PHE 109 12.362 0.960 -10.297 852 HD1 PHE 109 HD1 PHE 109 9.498 -0.159 -12.412 853 HD2 PHE 109 HD2 PHE 109 13.596 1.127 -12.316 854 HE1 PHE 109 HE1 PHE 109 9.516 -0.022 -14.890 855 HE2 PHE 109 HE2 PHE 109 13.613 1.266 -14.790 856 HZ PHE 109 HZ PHE 109 11.572 0.692 -16.077 857 H SER 110 H SER 110 13.971 -1.337 -9.236 858 HA SER 110 HA SER 110 15.505 -1.772 -11.591 859 HB2 SER 110 2HB SER 110 16.065 -2.173 -8.656 860 HB3 SER 110 1HB SER 110 17.251 -2.582 -9.892 861 HG SER 110 HG SER 110 16.258 -0.105 -9.086 862 H ALA 111 H ALA 111 16.297 -3.636 -12.497 863 HA ALA 111 HA ALA 111 14.894 -6.095 -11.715 864 HB1 ALA 111 3HB ALA 111 16.433 -6.359 -14.176 865 HB2 ALA 111 1HB ALA 111 15.440 -4.903 -14.223 866 HB3 ALA 111 2HB ALA 111 14.687 -6.470 -13.947 867 HA PRO 112 HA PRO 112 18.342 -8.427 -10.307 868 HB2 PRO 112 2HB PRO 112 18.269 -10.128 -12.781 869 HB3 PRO 112 1HB PRO 112 18.217 -10.620 -11.075 870 HG2 PRO 112 2HG PRO 112 16.025 -10.650 -12.591 871 HG3 PRO 112 1HG PRO 112 15.962 -10.189 -10.881 872 HD2 PRO 112 2HD PRO 112 15.792 -8.448 -13.310 873 HD3 PRO 112 1HD PRO 112 15.018 -8.273 -11.722 874 H ASP 113 H ASP 113 18.517 -7.750 -13.799 875 HA ASP 113 HA ASP 113 21.420 -7.767 -13.810 876 HB2 ASP 113 2HB ASP 113 21.183 -7.149 -16.172 877 HB3 ASP 113 1HB ASP 113 20.154 -8.528 -15.783 878 H ASP 114 H ASP 114 20.516 -5.985 -11.924 879 HA ASP 114 HA ASP 114 20.009 -3.366 -12.516 880 HB2 ASP 114 2HB ASP 114 22.159 -4.182 -10.553 881 HB3 ASP 114 1HB ASP 114 21.132 -2.750 -10.493 Start of MODEL 10 1 HA2 GLY 1 2HA GLY 1 20.529 -22.629 18.651 2 HA3 GLY 1 1HA GLY 1 22.012 -22.399 17.723 3 H LYS 2 H LYS 2 20.932 -20.928 20.779 4 HA LYS 2 HA LYS 2 23.528 -21.394 21.967 5 HB2 LYS 2 2HB LYS 2 21.905 -19.369 22.305 6 HB3 LYS 2 1HB LYS 2 21.144 -20.420 23.498 7 HG2 LYS 2 2HG LYS 2 23.212 -20.634 24.736 8 HG3 LYS 2 1HG LYS 2 24.123 -19.806 23.473 9 HD2 LYS 2 2HD LYS 2 23.604 -18.327 25.393 10 HD3 LYS 2 1HD LYS 2 22.910 -17.753 23.877 11 HE2 LYS 2 2HE LYS 2 20.738 -18.376 24.484 12 HE3 LYS 2 1HE LYS 2 21.299 -19.517 25.705 13 HZ1 LYS 2 3HZ LYS 2 21.774 -17.831 27.183 14 HZ2 LYS 2 1HZ LYS 2 20.373 -17.238 26.435 15 HZ3 LYS 2 2HZ LYS 2 21.896 -16.645 25.974 16 H LYS 3 H LYS 3 24.077 -23.225 22.960 17 HA LYS 3 HA LYS 3 23.221 -25.568 23.347 18 HB2 LYS 3 2HB LYS 3 24.970 -24.645 24.825 19 HB3 LYS 3 1HB LYS 3 23.716 -23.967 25.863 20 HG2 LYS 3 2HG LYS 3 22.831 -26.199 26.321 21 HG3 LYS 3 1HG LYS 3 23.997 -26.912 25.204 22 HD2 LYS 3 2HD LYS 3 25.845 -26.060 26.620 23 HD3 LYS 3 1HD LYS 3 24.658 -25.401 27.747 24 HE2 LYS 3 2HE LYS 3 24.944 -28.327 27.005 25 HE3 LYS 3 1HE LYS 3 25.472 -27.597 28.522 26 HZ1 LYS 3 3HZ LYS 3 23.269 -28.682 28.645 27 HZ2 LYS 3 1HZ LYS 3 22.674 -27.548 27.534 28 HZ3 LYS 3 2HZ LYS 3 23.231 -27.035 29.055 29 H VAL 4 H VAL 4 21.969 -23.713 26.090 30 HA VAL 4 HA VAL 4 19.816 -25.172 26.766 31 HB VAL 4 HB VAL 4 18.718 -23.073 27.515 32 HG11 VAL 4 1HG1 VAL 4 20.565 -24.135 28.812 33 HG12 VAL 4 2HG1 VAL 4 20.513 -22.384 29.023 34 HG13 VAL 4 3HG1 VAL 4 21.718 -23.108 27.959 35 HG21 VAL 4 3HG2 VAL 4 20.915 -21.855 25.822 36 HG22 VAL 4 1HG2 VAL 4 20.090 -20.956 27.098 37 HG23 VAL 4 2HG2 VAL 4 19.177 -21.564 25.717 38 H GLU 5 H GLU 5 17.864 -25.696 25.993 39 HA GLU 5 HA GLU 5 17.231 -25.020 23.255 40 HB2 GLU 5 2HB GLU 5 15.297 -26.540 23.604 41 HB3 GLU 5 1HB GLU 5 16.835 -27.292 24.029 42 HG2 GLU 5 2HG GLU 5 16.432 -26.704 26.411 43 HG3 GLU 5 1HG GLU 5 14.865 -26.036 25.963 44 H PHE 6 H PHE 6 16.540 -23.712 26.295 45 HA PHE 6 HA PHE 6 15.225 -21.973 26.959 46 HB2 PHE 6 2HB PHE 6 15.791 -21.440 24.278 47 HB3 PHE 6 1HB PHE 6 14.036 -21.310 24.330 48 HD1 PHE 6 HD1 PHE 6 17.194 -20.065 25.831 49 HD2 PHE 6 HD2 PHE 6 12.954 -19.502 25.455 50 HE1 PHE 6 HE1 PHE 6 17.393 -17.851 26.917 51 HE2 PHE 6 HE2 PHE 6 13.152 -17.281 26.534 52 HZ PHE 6 HZ PHE 6 15.373 -16.452 27.266 53 H ASN 7 H ASN 7 14.028 -24.637 25.256 54 HA ASN 7 HA ASN 7 12.055 -25.787 25.355 55 HB2 ASN 7 2HB ASN 7 12.364 -25.184 27.824 56 HB3 ASN 7 1HB ASN 7 11.206 -23.887 27.538 57 HD21 ASN 7 1HD2 ASN 7 10.683 -26.138 29.294 58 HD22 ASN 7 2HD2 ASN 7 9.394 -27.013 28.617 59 H ASP 8 H ASP 8 12.277 -23.735 23.458 60 HA ASP 8 HA ASP 8 9.796 -22.197 23.498 61 HB2 ASP 8 2HB ASP 8 12.030 -22.430 21.476 62 HB3 ASP 8 1HB ASP 8 10.615 -21.397 21.277 63 H LYS 9 H LYS 9 10.588 -25.317 22.806 64 HA LYS 9 HA LYS 9 9.709 -26.099 20.451 65 HB2 LYS 9 2HB LYS 9 10.257 -27.542 22.467 66 HB3 LYS 9 1HB LYS 9 8.540 -27.453 22.858 67 HG2 LYS 9 2HG LYS 9 7.975 -28.369 20.643 68 HG3 LYS 9 1HG LYS 9 9.687 -28.417 20.217 69 HD2 LYS 9 2HD LYS 9 10.149 -30.074 21.888 70 HD3 LYS 9 1HD LYS 9 8.558 -29.864 22.625 71 HE2 LYS 9 2HE LYS 9 8.694 -31.915 21.209 72 HE3 LYS 9 1HE LYS 9 7.473 -30.778 20.638 73 HZ1 LYS 9 3HZ LYS 9 9.191 -29.899 19.092 74 HZ2 LYS 9 1HZ LYS 9 8.727 -31.498 18.773 75 HZ3 LYS 9 2HZ LYS 9 10.205 -31.184 19.552 76 HA PRO 10 HA PRO 10 5.688 -24.196 19.738 77 HB2 PRO 10 2HB PRO 10 5.220 -26.740 18.206 78 HB3 PRO 10 1HB PRO 10 4.961 -25.058 17.700 79 HG2 PRO 10 2HG PRO 10 7.076 -26.477 16.861 80 HG3 PRO 10 1HG PRO 10 7.180 -24.735 17.173 81 HD2 PRO 10 2HD PRO 10 8.284 -26.993 18.753 82 HD3 PRO 10 1HD PRO 10 8.823 -25.303 18.634 83 H LYS 11 H LYS 11 3.288 -25.298 19.542 84 HA LYS 11 HA LYS 11 2.956 -26.948 21.999 85 HB2 LYS 11 2HB LYS 11 1.090 -24.902 20.790 86 HB3 LYS 11 1HB LYS 11 0.757 -25.870 22.227 87 HG2 LYS 11 2HG LYS 11 2.864 -24.905 23.248 88 HG3 LYS 11 1HG LYS 11 2.932 -23.792 21.882 89 HD2 LYS 11 2HD LYS 11 0.535 -24.070 23.717 90 HD3 LYS 11 1HD LYS 11 1.782 -22.839 23.914 91 HE2 LYS 11 2HE LYS 11 1.285 -22.196 21.465 92 HE3 LYS 11 1HE LYS 11 -0.173 -23.170 21.634 93 HZ1 LYS 11 3HZ LYS 11 0.582 -20.729 23.101 94 HZ2 LYS 11 1HZ LYS 11 -0.576 -21.804 23.720 95 HZ3 LYS 11 2HZ LYS 11 -0.836 -21.050 22.220 96 H VAL 12 H VAL 12 -0.002 -26.711 20.850 97 HA VAL 12 HA VAL 12 -0.090 -29.375 19.859 98 HB VAL 12 HB VAL 12 -1.982 -28.369 21.049 99 HG11 VAL 12 1HG1 VAL 12 -1.560 -26.067 19.992 100 HG12 VAL 12 2HG1 VAL 12 -3.246 -26.558 20.153 101 HG13 VAL 12 3HG1 VAL 12 -2.440 -26.670 18.588 102 HG21 VAL 12 3HG2 VAL 12 -2.750 -28.899 18.166 103 HG22 VAL 12 1HG2 VAL 12 -3.721 -29.199 19.608 104 HG23 VAL 12 2HG2 VAL 12 -2.289 -30.177 19.291 105 H ARG 13 H ARG 13 -0.271 -26.183 18.334 106 HA ARG 13 HA ARG 13 -0.575 -27.321 15.675 107 HB2 ARG 13 2HB ARG 13 -1.662 -25.181 16.291 108 HB3 ARG 13 1HB ARG 13 -0.068 -24.457 16.508 109 HG2 ARG 13 2HG ARG 13 0.488 -24.883 14.166 110 HG3 ARG 13 1HG ARG 13 -1.051 -25.711 13.928 111 HD2 ARG 13 2HD ARG 13 -0.801 -22.823 14.802 112 HD3 ARG 13 1HD ARG 13 -1.045 -23.325 13.132 113 HE ARG 13 HE ARG 13 -3.041 -24.530 14.700 114 HH11 ARG 13 1HH2 ARG 13 -1.967 -21.404 13.673 115 HH12 ARG 13 2HH2 ARG 13 -3.545 -20.697 13.712 116 HH21 ARG 13 1HH1 ARG 13 -5.116 -23.606 14.756 117 HH22 ARG 13 2HH1 ARG 13 -5.329 -21.942 14.326 118 H LYS 14 H LYS 14 0.964 -27.316 14.050 119 HA LYS 14 HA LYS 14 3.756 -27.205 14.983 120 HB2 LYS 14 2HB LYS 14 2.845 -29.209 13.741 121 HB3 LYS 14 1HB LYS 14 2.713 -28.175 12.318 122 HG2 LYS 14 2HG LYS 14 5.110 -27.699 12.395 123 HG3 LYS 14 1HG LYS 14 5.270 -28.643 13.877 124 HD2 LYS 14 2HD LYS 14 4.536 -30.667 12.679 125 HD3 LYS 14 1HD LYS 14 4.362 -29.728 11.196 126 HE2 LYS 14 2HE LYS 14 6.501 -30.741 11.012 127 HE3 LYS 14 1HE LYS 14 6.838 -29.085 11.519 128 HZ1 LYS 14 3HZ LYS 14 7.968 -30.007 13.178 129 HZ2 LYS 14 1HZ LYS 14 7.310 -31.548 12.903 130 HZ3 LYS 14 2HZ LYS 14 6.465 -30.422 13.857 131 H ILE 15 H ILE 15 5.351 -26.025 13.898 132 HA ILE 15 HA ILE 15 4.913 -23.444 13.292 133 HB ILE 15 HB ILE 15 6.971 -25.058 11.826 134 HG12 ILE 15 2HG1 ILE 15 6.848 -24.007 14.671 135 HG13 ILE 15 1HG1 ILE 15 7.114 -25.673 14.153 136 HG21 ILE 15 1HG2 ILE 15 8.173 -23.000 11.718 137 HG22 ILE 15 2HG2 ILE 15 7.138 -22.234 12.924 138 HG23 ILE 15 3HG2 ILE 15 6.518 -22.551 11.302 139 HD11 ILE 15 3HD1 ILE 15 9.286 -24.927 14.667 140 HD12 ILE 15 1HD1 ILE 15 8.990 -23.325 13.991 141 HD13 ILE 15 2HD1 ILE 15 9.201 -24.709 12.918 142 HA PRO 16 HA PRO 16 2.266 -23.997 9.588 143 HB2 PRO 16 2HB PRO 16 2.534 -21.008 9.644 144 HB3 PRO 16 1HB PRO 16 1.069 -22.002 9.506 145 HG2 PRO 16 2HG PRO 16 1.702 -20.758 11.785 146 HG3 PRO 16 1HG PRO 16 0.945 -22.363 11.782 147 HD2 PRO 16 2HD PRO 16 3.787 -21.620 12.346 148 HD3 PRO 16 1HD PRO 16 2.785 -22.925 13.022 149 H SER 17 H SER 17 2.667 -23.878 7.380 150 HA SER 17 HA SER 17 5.409 -23.430 6.596 151 HB2 SER 17 2HB SER 17 4.639 -24.187 4.381 152 HB3 SER 17 1HB SER 17 4.138 -25.297 5.652 153 HG SER 17 HG SER 17 2.618 -23.361 4.259 154 H THR 18 H THR 18 2.728 -21.453 6.944 155 HA THR 18 HA THR 18 3.279 -19.707 4.676 156 HB THR 18 HB THR 18 1.378 -18.487 5.355 157 HG1 THR 18 HG1 THR 18 0.548 -18.668 7.459 158 HG21 THR 18 3HG2 THR 18 0.978 -20.906 4.669 159 HG22 THR 18 1HG2 THR 18 -0.325 -20.142 5.581 160 HG23 THR 18 2HG2 THR 18 0.777 -21.260 6.386 161 H ARG 19 H ARG 19 3.648 -17.368 5.069 162 HA ARG 19 HA ARG 19 5.393 -16.892 7.436 163 HB2 ARG 19 2HB ARG 19 5.837 -16.102 4.550 164 HB3 ARG 19 1HB ARG 19 6.742 -15.421 5.902 165 HG2 ARG 19 2HG ARG 19 7.524 -17.653 6.542 166 HG3 ARG 19 1HG ARG 19 6.573 -18.378 5.246 167 HD2 ARG 19 2HD ARG 19 7.876 -17.120 3.577 168 HD3 ARG 19 1HD ARG 19 8.820 -16.377 4.866 169 HE ARG 19 HE ARG 19 9.013 -19.157 5.170 170 HH11 ARG 19 1HH2 ARG 19 9.851 -16.668 2.919 171 HH12 ARG 19 2HH2 ARG 19 11.246 -17.495 2.312 172 HH21 ARG 19 1HH1 ARG 19 10.841 -20.249 4.378 173 HH22 ARG 19 2HH1 ARG 19 11.806 -19.523 3.138 174 H LYS 20 H LYS 20 5.847 -14.420 7.545 175 HA LYS 20 HA LYS 20 3.366 -12.896 6.991 176 HB2 LYS 20 2HB LYS 20 4.825 -13.057 9.641 177 HB3 LYS 20 1HB LYS 20 3.553 -11.893 9.264 178 HG2 LYS 20 2HG LYS 20 1.985 -13.742 8.816 179 HG3 LYS 20 1HG LYS 20 3.253 -14.910 9.191 180 HD2 LYS 20 2HD LYS 20 3.405 -14.053 11.480 181 HD3 LYS 20 1HD LYS 20 2.201 -12.816 11.117 182 HE2 LYS 20 2HE LYS 20 1.146 -14.710 12.270 183 HE3 LYS 20 1HE LYS 20 0.546 -14.594 10.614 184 HZ1 LYS 20 3HZ LYS 20 1.938 -16.720 11.855 185 HZ2 LYS 20 1HZ LYS 20 2.817 -16.168 10.514 186 HZ3 LYS 20 2HZ LYS 20 1.206 -16.672 10.321 187 H ILE 21 H ILE 21 3.671 -10.811 6.437 188 HA ILE 21 HA ILE 21 6.470 -9.852 6.315 189 HB ILE 21 HB ILE 21 4.133 -9.614 4.449 190 HG12 ILE 21 2HG1 ILE 21 6.298 -11.080 4.208 191 HG13 ILE 21 1HG1 ILE 21 5.723 -10.183 2.805 192 HG21 ILE 21 1HG2 ILE 21 4.431 -7.274 4.804 193 HG22 ILE 21 2HG2 ILE 21 5.395 -7.622 3.369 194 HG23 ILE 21 3HG2 ILE 21 6.181 -7.433 4.934 195 HD11 ILE 21 3HD1 ILE 21 7.397 -8.561 2.975 196 HD12 ILE 21 1HD1 ILE 21 8.262 -10.018 3.443 197 HD13 ILE 21 2HD1 ILE 21 7.706 -8.883 4.675 198 H LYS 22 H LYS 22 7.019 -7.983 7.213 199 HA LYS 22 HA LYS 22 4.865 -6.277 8.343 200 HB2 LYS 22 2HB LYS 22 7.493 -7.070 9.610 201 HB3 LYS 22 1HB LYS 22 6.405 -5.832 10.239 202 HG2 LYS 22 2HG LYS 22 4.600 -7.498 10.422 203 HG3 LYS 22 1HG LYS 22 5.678 -8.740 9.788 204 HD2 LYS 22 2HD LYS 22 7.198 -8.404 11.700 205 HD3 LYS 22 1HD LYS 22 6.122 -7.160 12.336 206 HE2 LYS 22 2HE LYS 22 4.304 -8.819 12.520 207 HE3 LYS 22 1HE LYS 22 5.379 -10.065 11.884 208 HZ1 LYS 22 3HZ LYS 22 6.750 -8.863 13.952 209 HZ2 LYS 22 1HZ LYS 22 6.046 -10.406 13.955 210 HZ3 LYS 22 2HZ LYS 22 5.166 -9.072 14.530 211 H ILE 23 H ILE 23 7.487 -6.489 6.263 212 HA ILE 23 HA ILE 23 7.954 -3.559 6.387 213 HB ILE 23 HB ILE 23 9.841 -5.710 5.414 214 HG12 ILE 23 2HG1 ILE 23 11.117 -4.514 7.514 215 HG13 ILE 23 1HG1 ILE 23 9.450 -4.325 8.059 216 HG21 ILE 23 1HG2 ILE 23 10.160 -3.645 4.189 217 HG22 ILE 23 2HG2 ILE 23 11.455 -3.788 5.378 218 HG23 ILE 23 3HG2 ILE 23 10.098 -2.702 5.680 219 HD11 ILE 23 3HD1 ILE 23 9.097 -6.761 7.755 220 HD12 ILE 23 1HD1 ILE 23 10.409 -6.432 8.885 221 HD13 ILE 23 2HD1 ILE 23 10.771 -6.927 7.232 222 H THR 24 H THR 24 7.366 -2.419 4.689 223 HA THR 24 HA THR 24 7.083 -3.778 2.069 224 HB THR 24 HB THR 24 5.008 -2.570 1.668 225 HG1 THR 24 HG1 THR 24 4.223 -1.689 3.909 226 HG21 THR 24 3HG2 THR 24 4.979 -4.030 4.324 227 HG22 THR 24 1HG2 THR 24 4.886 -4.790 2.736 228 HG23 THR 24 2HG2 THR 24 3.579 -3.746 3.291 229 H PHE 25 H PHE 25 7.526 -2.531 0.277 230 HA PHE 25 HA PHE 25 9.442 -0.488 0.564 231 HB2 PHE 25 2HB PHE 25 9.205 -1.902 -1.452 232 HB3 PHE 25 1HB PHE 25 7.694 -1.077 -1.837 233 HD1 PHE 25 HD1 PHE 25 11.355 -0.635 -1.440 234 HD2 PHE 25 HD2 PHE 25 7.677 1.132 -2.779 235 HE1 PHE 25 HE1 PHE 25 12.632 1.183 -2.542 236 HE2 PHE 25 HE2 PHE 25 8.954 2.951 -3.884 237 HZ PHE 25 HZ PHE 25 11.430 2.976 -3.764 238 H ALA 26 H ALA 26 9.285 1.663 0.767 239 HA ALA 26 HA ALA 26 6.577 2.896 0.636 240 HB1 ALA 26 3HB ALA 26 7.373 4.488 2.301 241 HB2 ALA 26 1HB ALA 26 8.956 3.711 2.318 242 HB3 ALA 26 2HB ALA 26 7.539 2.838 2.904 243 H LEU 27 H LEU 27 6.307 4.761 -0.477 244 HA LEU 27 HA LEU 27 8.109 5.367 -2.579 245 HB2 LEU 27 2HB LEU 27 5.642 6.696 -1.471 246 HB3 LEU 27 1HB LEU 27 6.592 7.492 -2.726 247 HG LEU 27 HG LEU 27 6.357 5.524 -4.176 248 HD11 LEU 27 1HD1 LEU 27 4.894 4.431 -1.765 249 HD12 LEU 27 2HD1 LEU 27 6.238 3.708 -2.648 250 HD13 LEU 27 3HD1 LEU 27 4.637 3.775 -3.381 251 HD21 LEU 27 3HD2 LEU 27 4.042 5.823 -4.731 252 HD22 LEU 27 1HD2 LEU 27 4.599 7.364 -4.077 253 HD23 LEU 27 2HD2 LEU 27 3.640 6.277 -3.074 254 H ASP 28 H ASP 28 7.456 6.896 0.547 255 HA ASP 28 HA ASP 28 10.070 8.205 0.432 256 HB2 ASP 28 2HB ASP 28 8.313 9.775 -0.549 257 HB3 ASP 28 1HB ASP 28 7.606 9.830 1.065 258 H ALA 29 H ALA 29 10.534 9.333 2.552 259 HA ALA 29 HA ALA 29 10.293 7.521 4.674 260 HB1 ALA 29 3HB ALA 29 12.001 9.376 4.425 261 HB2 ALA 29 1HB ALA 29 11.312 9.202 6.039 262 HB3 ALA 29 2HB ALA 29 10.754 10.493 4.975 263 H THR 30 H THR 30 8.528 10.558 4.058 264 HA THR 30 HA THR 30 6.914 10.506 6.358 265 HB THR 30 HB THR 30 6.348 11.642 3.611 266 HG1 THR 30 HG1 THR 30 8.184 12.428 4.842 267 HG21 THR 30 3HG2 THR 30 4.237 11.515 4.640 268 HG22 THR 30 1HG2 THR 30 4.796 13.144 5.029 269 HG23 THR 30 2HG2 THR 30 4.897 11.867 6.242 270 H PHE 31 H PHE 31 6.320 9.216 3.088 271 HA PHE 31 HA PHE 31 3.745 8.176 3.685 272 HB2 PHE 31 2HB PHE 31 4.566 8.648 1.383 273 HB3 PHE 31 1HB PHE 31 5.681 7.291 1.536 274 HD1 PHE 31 HD1 PHE 31 2.048 8.067 2.097 275 HD2 PHE 31 HD2 PHE 31 4.966 5.222 0.720 276 HE1 PHE 31 HE1 PHE 31 0.225 6.510 1.434 277 HE2 PHE 31 HE2 PHE 31 3.143 3.669 0.062 278 HZ PHE 31 HZ PHE 31 0.779 4.315 0.419 279 H ASP 32 H ASP 32 6.998 6.997 4.113 280 HA ASP 32 HA ASP 32 6.409 4.237 4.404 281 HB2 ASP 32 2HB ASP 32 8.702 5.223 4.082 282 HB3 ASP 32 1HB ASP 32 8.630 5.787 5.749 283 H SER 33 H SER 33 6.756 6.861 6.788 284 HA SER 33 HA SER 33 6.207 5.289 9.072 285 HB2 SER 33 2HB SER 33 7.182 7.411 9.460 286 HB3 SER 33 1HB SER 33 5.964 8.237 8.491 287 HG SER 33 HG SER 33 5.380 8.519 10.599 288 H VAL 34 H VAL 34 4.102 7.257 6.982 289 HA VAL 34 HA VAL 34 1.715 6.785 8.453 290 HB VAL 34 HB VAL 34 2.119 7.484 5.539 291 HG11 VAL 34 1HG1 VAL 34 -0.264 8.369 5.827 292 HG12 VAL 34 2HG1 VAL 34 -0.338 7.403 7.302 293 HG13 VAL 34 3HG1 VAL 34 -0.095 6.614 5.744 294 HG21 VAL 34 3HG2 VAL 34 1.357 9.244 7.887 295 HG22 VAL 34 1HG2 VAL 34 1.771 9.762 6.252 296 HG23 VAL 34 2HG2 VAL 34 3.012 9.074 7.300 297 H LEU 35 H LEU 35 3.104 5.189 5.600 298 HA LEU 35 HA LEU 35 1.013 3.369 5.201 299 HB2 LEU 35 2HB LEU 35 2.671 3.770 3.464 300 HB3 LEU 35 1HB LEU 35 3.957 3.155 4.499 301 HG LEU 35 HG LEU 35 2.921 0.919 4.499 302 HD11 LEU 35 1HD1 LEU 35 0.979 0.675 2.736 303 HD12 LEU 35 2HD1 LEU 35 0.736 2.397 3.032 304 HD13 LEU 35 3HD1 LEU 35 0.605 1.245 4.361 305 HD21 LEU 35 3HD2 LEU 35 3.370 0.329 2.217 306 HD22 LEU 35 1HD2 LEU 35 4.470 1.640 2.642 307 HD23 LEU 35 2HD2 LEU 35 3.038 1.970 1.666 308 H SER 36 H SER 36 4.034 3.111 7.040 309 HA SER 36 HA SER 36 3.792 0.420 7.804 310 HB2 SER 36 2HB SER 36 5.083 2.724 9.286 311 HB3 SER 36 1HB SER 36 5.331 1.020 9.649 312 HG SER 36 HG SER 36 5.731 1.216 7.097 313 H LYS 37 H LYS 37 2.664 3.397 9.382 314 HA LYS 37 HA LYS 37 1.572 2.135 11.675 315 HB2 LYS 37 2HB LYS 37 2.061 4.570 11.513 316 HB3 LYS 37 1HB LYS 37 0.711 4.735 10.390 317 HG2 LYS 37 2HG LYS 37 -0.852 3.937 12.087 318 HG3 LYS 37 1HG LYS 37 0.478 3.645 13.210 319 HD2 LYS 37 2HD LYS 37 1.033 6.059 13.167 320 HD3 LYS 37 1HD LYS 37 -0.324 6.344 12.075 321 HE2 LYS 37 2HE LYS 37 -0.608 5.089 14.820 322 HE3 LYS 37 1HE LYS 37 -0.845 6.807 14.498 323 HZ1 LYS 37 3HZ LYS 37 -2.852 5.186 14.431 324 HZ2 LYS 37 1HZ LYS 37 -2.281 4.824 12.875 325 HZ3 LYS 37 2HZ LYS 37 -2.721 6.417 13.268 326 H ALA 38 H ALA 38 0.286 2.857 8.477 327 HA ALA 38 HA ALA 38 -2.423 2.181 9.111 328 HB1 ALA 38 3HB ALA 38 -2.616 2.054 6.563 329 HB2 ALA 38 1HB ALA 38 -0.917 2.521 6.519 330 HB3 ALA 38 2HB ALA 38 -2.110 3.603 7.238 331 H CYS 39 H CYS 39 -0.406 0.540 6.698 332 HA CYS 39 HA CYS 39 -1.789 -1.861 6.691 333 HB2 CYS 39 2HB CYS 39 0.145 -2.835 5.618 334 HB3 CYS 39 1HB CYS 39 -0.039 -1.180 5.042 335 HG CYS 39 HG CYS 39 2.171 -2.138 7.016 336 H SER 40 H SER 40 1.004 -0.933 8.676 337 HA SER 40 HA SER 40 1.768 -1.754 10.683 338 HB2 SER 40 2HB SER 40 -0.638 -3.548 10.890 339 HB3 SER 40 1HB SER 40 0.245 -2.720 12.168 340 HG SER 40 HG SER 40 -1.901 -1.867 11.309 341 H GLU 41 H GLU 41 0.017 -4.465 9.178 342 HA GLU 41 HA GLU 41 2.352 -5.845 8.353 343 HB2 GLU 41 2HB GLU 41 2.299 -7.693 9.996 344 HB3 GLU 41 1HB GLU 41 2.714 -6.154 10.751 345 HG2 GLU 41 2HG GLU 41 0.348 -5.873 11.442 346 HG3 GLU 41 1HG GLU 41 -0.030 -7.441 10.734 347 H PHE 42 H PHE 42 1.882 -7.875 7.358 348 HA PHE 42 HA PHE 42 -0.947 -8.672 7.206 349 HB2 PHE 42 2HB PHE 42 0.690 -7.527 4.963 350 HB3 PHE 42 1HB PHE 42 -0.441 -8.822 4.582 351 HD1 PHE 42 HD2 PHE 42 -2.861 -8.574 5.497 352 HD2 PHE 42 HD1 PHE 42 -0.095 -5.312 5.123 353 HE1 PHE 42 HE2 PHE 42 -4.750 -6.972 5.543 354 HE2 PHE 42 HE1 PHE 42 -1.984 -3.706 5.169 355 HZ PHE 42 HZ PHE 42 -4.311 -4.536 5.378 356 H GLU 43 H GLU 43 -1.280 -10.791 6.564 357 HA GLU 43 HA GLU 43 0.921 -12.568 7.093 358 HB2 GLU 43 2HB GLU 43 -1.937 -13.078 6.240 359 HB3 GLU 43 1HB GLU 43 -0.776 -14.348 6.635 360 HG2 GLU 43 2HG GLU 43 -0.488 -13.390 8.888 361 HG3 GLU 43 1HG GLU 43 -1.642 -12.116 8.495 362 H VAL 44 H VAL 44 1.487 -14.357 5.613 363 HA VAL 44 HA VAL 44 1.170 -13.712 2.747 364 HB VAL 44 HB VAL 44 3.808 -14.373 4.079 365 HG11 VAL 44 1HG1 VAL 44 3.570 -15.213 1.761 366 HG12 VAL 44 2HG1 VAL 44 4.727 -13.887 1.845 367 HG13 VAL 44 3HG1 VAL 44 3.099 -13.597 1.234 368 HG21 VAL 44 3HG2 VAL 44 4.347 -12.006 3.295 369 HG22 VAL 44 1HG2 VAL 44 3.246 -12.118 4.665 370 HG23 VAL 44 2HG2 VAL 44 2.616 -11.785 3.052 371 H ASP 45 H ASP 45 0.856 -15.445 1.489 372 HA ASP 45 HA ASP 45 0.610 -18.051 2.759 373 HB2 ASP 45 2HB ASP 45 -0.001 -17.042 -0.019 374 HB3 ASP 45 1HB ASP 45 -0.204 -18.724 0.466 375 H LYS 46 H LYS 46 1.465 -19.999 1.589 376 HA LYS 46 HA LYS 46 4.294 -19.820 1.370 377 HB2 LYS 46 2HB LYS 46 3.054 -21.856 2.109 378 HB3 LYS 46 1HB LYS 46 2.484 -22.066 0.454 379 HG2 LYS 46 2HG LYS 46 4.792 -22.256 -0.347 380 HG3 LYS 46 1HG LYS 46 5.397 -21.975 1.285 381 HD2 LYS 46 2HD LYS 46 4.249 -24.016 2.065 382 HD3 LYS 46 1HD LYS 46 3.658 -24.307 0.429 383 HE2 LYS 46 2HE LYS 46 5.968 -24.482 -0.392 384 HE3 LYS 46 1HE LYS 46 6.580 -24.154 1.228 385 HZ1 LYS 46 3HZ LYS 46 5.673 -26.600 0.123 386 HZ2 LYS 46 1HZ LYS 46 4.767 -26.213 1.502 387 HZ3 LYS 46 2HZ LYS 46 6.461 -26.319 1.602 388 H ASP 47 H ASP 47 1.891 -20.787 -1.105 389 HA ASP 47 HA ASP 47 3.819 -20.189 -3.223 390 HB2 ASP 47 2HB ASP 47 2.404 -22.229 -3.323 391 HB3 ASP 47 1HB ASP 47 0.972 -21.205 -3.407 392 H VAL 48 H VAL 48 3.929 -17.898 -2.905 393 HA VAL 48 HA VAL 48 1.808 -16.479 -4.344 394 HB VAL 48 HB VAL 48 1.278 -16.388 -1.871 395 HG11 VAL 48 1HG1 VAL 48 3.809 -16.182 -1.315 396 HG12 VAL 48 2HG1 VAL 48 2.674 -15.203 -0.392 397 HG13 VAL 48 3HG1 VAL 48 3.601 -14.474 -1.698 398 HG21 VAL 48 3HG2 VAL 48 0.356 -14.714 -3.300 399 HG22 VAL 48 1HG2 VAL 48 1.900 -13.881 -3.448 400 HG23 VAL 48 2HG2 VAL 48 1.023 -13.852 -1.918 401 H THR 49 H THR 49 2.600 -14.885 -5.606 402 HA THR 49 HA THR 49 5.497 -14.284 -5.373 403 HB THR 49 HB THR 49 5.494 -13.872 -7.712 404 HG1 THR 49 HG1 THR 49 3.400 -14.070 -8.829 405 HG21 THR 49 3HG2 THR 49 4.763 -15.994 -8.622 406 HG22 THR 49 1HG2 THR 49 3.628 -16.222 -7.289 407 HG23 THR 49 2HG2 THR 49 5.364 -16.279 -6.988 408 H LEU 50 H LEU 50 6.131 -12.149 -5.682 409 HA LEU 50 HA LEU 50 4.979 -10.153 -4.260 410 HB2 LEU 50 2HB LEU 50 6.237 -8.581 -6.042 411 HB3 LEU 50 1HB LEU 50 7.138 -9.554 -4.883 412 HG LEU 50 HG LEU 50 7.926 -9.724 -7.296 413 HD11 LEU 50 1HD1 LEU 50 7.295 -12.534 -6.802 414 HD12 LEU 50 2HD1 LEU 50 7.746 -11.733 -5.302 415 HD13 LEU 50 3HD1 LEU 50 8.831 -11.698 -6.676 416 HD21 LEU 50 3HD2 LEU 50 6.647 -10.892 -8.912 417 HD22 LEU 50 1HD2 LEU 50 5.487 -9.804 -8.159 418 HD23 LEU 50 2HD2 LEU 50 5.522 -11.506 -7.726 419 H ASP 51 H ASP 51 3.827 -11.451 -7.185 420 HA ASP 51 HA ASP 51 2.622 -9.170 -8.346 421 HB2 ASP 51 2HB ASP 51 1.943 -12.115 -8.553 422 HB3 ASP 51 1HB ASP 51 1.248 -10.862 -9.567 423 H GLU 52 H GLU 52 1.273 -11.827 -6.363 424 HA GLU 52 HA GLU 52 -1.304 -10.675 -6.109 425 HB2 GLU 52 2HB GLU 52 0.136 -12.709 -4.419 426 HB3 GLU 52 1HB GLU 52 -1.562 -12.286 -4.206 427 HG2 GLU 52 2HG GLU 52 -1.958 -12.909 -6.601 428 HG3 GLU 52 1HG GLU 52 -0.284 -13.451 -6.701 429 H LEU 53 H LEU 53 1.624 -10.491 -4.149 430 HA LEU 53 HA LEU 53 0.518 -9.139 -1.942 431 HB2 LEU 53 2HB LEU 53 3.271 -9.332 -3.096 432 HB3 LEU 53 1HB LEU 53 2.971 -8.267 -1.734 433 HG LEU 53 HG LEU 53 2.208 -11.203 -1.766 434 HD11 LEU 53 1HD1 LEU 53 4.199 -11.648 -0.483 435 HD12 LEU 53 2HD1 LEU 53 4.603 -9.934 -0.422 436 HD13 LEU 53 3HD1 LEU 53 4.692 -10.805 -1.954 437 HD21 LEU 53 3HD2 LEU 53 1.981 -8.946 0.202 438 HD22 LEU 53 1HD2 LEU 53 2.459 -10.515 0.856 439 HD23 LEU 53 2HD2 LEU 53 0.950 -10.354 -0.027 440 H LEU 54 H LEU 54 1.847 -8.001 -4.993 441 HA LEU 54 HA LEU 54 1.867 -5.262 -4.391 442 HB2 LEU 54 2HB LEU 54 2.908 -6.325 -6.415 443 HB3 LEU 54 1HB LEU 54 1.289 -6.543 -7.074 444 HG LEU 54 HG LEU 54 1.102 -3.902 -6.577 445 HD11 LEU 54 1HD1 LEU 54 3.250 -2.783 -6.964 446 HD12 LEU 54 2HD1 LEU 54 4.066 -4.345 -7.009 447 HD13 LEU 54 3HD1 LEU 54 3.320 -3.783 -5.512 448 HD21 LEU 54 3HD2 LEU 54 0.794 -4.779 -8.782 449 HD22 LEU 54 1HD2 LEU 54 2.494 -5.215 -8.915 450 HD23 LEU 54 2HD2 LEU 54 2.018 -3.518 -8.905 451 H ASP 55 H ASP 55 -0.656 -7.317 -5.849 452 HA ASP 55 HA ASP 55 -2.553 -5.175 -6.124 453 HB2 ASP 55 2HB ASP 55 -2.560 -7.343 -7.421 454 HB3 ASP 55 1HB ASP 55 -3.164 -8.126 -5.962 455 H VAL 56 H VAL 56 -1.837 -7.532 -3.636 456 HA VAL 56 HA VAL 56 -4.188 -7.051 -2.077 457 HB VAL 56 HB VAL 56 -1.539 -8.338 -1.442 458 HG11 VAL 56 1HG1 VAL 56 -3.948 -7.881 0.312 459 HG12 VAL 56 2HG1 VAL 56 -2.261 -7.512 0.667 460 HG13 VAL 56 3HG1 VAL 56 -2.807 -9.189 0.619 461 HG21 VAL 56 3HG2 VAL 56 -4.275 -9.608 -1.543 462 HG22 VAL 56 1HG2 VAL 56 -2.701 -10.387 -1.678 463 HG23 VAL 56 2HG2 VAL 56 -3.313 -9.401 -3.006 464 H VAL 57 H VAL 57 -0.788 -6.074 -1.626 465 HA VAL 57 HA VAL 57 -1.206 -4.468 0.626 466 HB VAL 57 HB VAL 57 1.021 -5.276 -0.282 467 HG11 VAL 57 1HG1 VAL 57 2.075 -4.125 -2.067 468 HG12 VAL 57 2HG1 VAL 57 0.898 -2.812 -2.027 469 HG13 VAL 57 3HG1 VAL 57 0.430 -4.394 -2.632 470 HG21 VAL 57 3HG2 VAL 57 2.205 -3.153 0.369 471 HG22 VAL 57 1HG2 VAL 57 0.961 -3.651 1.517 472 HG23 VAL 57 2HG2 VAL 57 0.640 -2.342 0.380 473 H LEU 58 H LEU 58 -1.198 -3.685 -2.862 474 HA LEU 58 HA LEU 58 -1.511 -0.914 -2.587 475 HB2 LEU 58 2HB LEU 58 -0.962 -2.103 -4.716 476 HB3 LEU 58 1HB LEU 58 -2.622 -2.701 -4.773 477 HG LEU 58 HG LEU 58 -3.439 -0.345 -4.788 478 HD11 LEU 58 1HD1 LEU 58 -1.852 1.028 -3.802 479 HD12 LEU 58 2HD1 LEU 58 -1.447 1.300 -5.490 480 HD13 LEU 58 3HD1 LEU 58 -0.490 0.180 -4.530 481 HD21 LEU 58 3HD2 LEU 58 -1.576 -1.366 -6.931 482 HD22 LEU 58 1HD2 LEU 58 -2.358 0.200 -7.108 483 HD23 LEU 58 2HD2 LEU 58 -3.336 -1.253 -6.950 484 H ASP 59 H ASP 59 -4.012 -3.377 -3.247 485 HA ASP 59 HA ASP 59 -6.258 -1.767 -3.060 486 HB2 ASP 59 2HB ASP 59 -5.830 -4.647 -2.269 487 HB3 ASP 59 1HB ASP 59 -7.418 -3.885 -2.231 488 H ALA 60 H ALA 60 -4.428 -3.342 -0.468 489 HA ALA 60 HA ALA 60 -6.113 -2.724 1.686 490 HB1 ALA 60 3HB ALA 60 -4.264 -3.210 3.094 491 HB2 ALA 60 1HB ALA 60 -3.098 -2.726 1.864 492 HB3 ALA 60 2HB ALA 60 -4.025 -4.214 1.664 493 H VAL 61 H VAL 61 -3.388 -0.880 0.317 494 HA VAL 61 HA VAL 61 -3.550 1.293 2.119 495 HB VAL 61 HB VAL 61 -2.476 1.099 -0.704 496 HG11 VAL 61 1HG1 VAL 61 -1.239 3.233 0.009 497 HG12 VAL 61 2HG1 VAL 61 -2.440 3.370 1.292 498 HG13 VAL 61 3HG1 VAL 61 -2.944 3.415 -0.398 499 HG21 VAL 61 3HG2 VAL 61 -1.227 1.046 2.059 500 HG22 VAL 61 1HG2 VAL 61 -0.292 1.220 0.576 501 HG23 VAL 61 2HG2 VAL 61 -1.225 -0.247 0.861 502 H GLU 62 H GLU 62 -4.959 0.793 -1.106 503 HA GLU 62 HA GLU 62 -6.167 3.310 -1.387 504 HB2 GLU 62 2HB GLU 62 -5.943 1.627 -3.212 505 HB3 GLU 62 1HB GLU 62 -7.190 0.656 -2.430 506 HG2 GLU 62 2HG GLU 62 -8.800 2.486 -2.656 507 HG3 GLU 62 1HG GLU 62 -7.558 3.515 -3.367 508 H SER 63 H SER 63 -7.393 0.297 0.046 509 HA SER 63 HA SER 63 -9.998 1.209 0.618 510 HB2 SER 63 2HB SER 63 -10.057 -0.645 2.252 511 HB3 SER 63 1HB SER 63 -9.402 -1.160 0.701 512 HG SER 63 HG SER 63 -8.275 -1.413 3.027 513 H THR 64 H THR 64 -7.001 1.292 2.517 514 HA THR 64 HA THR 64 -8.176 2.408 4.857 515 HB THR 64 HB THR 64 -5.311 2.538 3.889 516 HG1 THR 64 HG1 THR 64 -6.876 0.634 5.181 517 HG21 THR 64 3HG2 THR 64 -4.949 2.724 6.434 518 HG22 THR 64 1HG2 THR 64 -6.656 3.158 6.520 519 HG23 THR 64 2HG2 THR 64 -5.536 4.161 5.597 520 H LEU 65 H LEU 65 -5.826 4.008 2.709 521 HA LEU 65 HA LEU 65 -7.131 6.576 3.299 522 HB2 LEU 65 2HB LEU 65 -4.659 6.313 3.668 523 HB3 LEU 65 1HB LEU 65 -4.476 6.064 1.934 524 HG LEU 65 HG LEU 65 -5.593 8.291 1.556 525 HD11 LEU 65 1HD1 LEU 65 -5.615 8.231 4.569 526 HD12 LEU 65 2HD1 LEU 65 -6.836 8.833 3.450 527 HD13 LEU 65 3HD1 LEU 65 -5.390 9.780 3.754 528 HD21 LEU 65 3HD2 LEU 65 -3.134 8.437 3.320 529 HD22 LEU 65 1HD2 LEU 65 -3.625 9.597 2.085 530 HD23 LEU 65 2HD2 LEU 65 -3.103 7.979 1.616 531 H SER 66 H SER 66 -8.911 6.358 1.889 532 HA SER 66 HA SER 66 -8.518 5.865 -0.926 533 HB2 SER 66 2HB SER 66 -10.749 5.433 -0.789 534 HB3 SER 66 1HB SER 66 -10.726 5.959 0.890 535 HG SER 66 HG SER 66 -11.477 7.320 -1.416 536 HA PRO 67 HA PRO 67 -9.255 10.564 -1.214 537 HB2 PRO 67 2HB PRO 67 -9.323 12.077 1.060 538 HB3 PRO 67 1HB PRO 67 -10.747 11.221 0.435 539 HG2 PRO 67 2HG PRO 67 -8.972 10.523 2.717 540 HG3 PRO 67 1HG PRO 67 -10.710 10.245 2.513 541 HD2 PRO 67 2HD PRO 67 -8.693 8.341 2.137 542 HD3 PRO 67 1HD PRO 67 -10.367 8.192 1.563 543 H CYS 68 H CYS 68 -6.928 9.715 -1.717 544 HA CYS 68 HA CYS 68 -4.805 10.756 -0.060 545 HB2 CYS 68 2HB CYS 68 -4.707 9.646 -2.875 546 HB3 CYS 68 1HB CYS 68 -3.322 9.925 -1.821 547 HG CYS 68 HG CYS 68 -4.232 7.388 -1.671 548 H LYS 69 H LYS 69 -6.558 11.766 -2.919 549 HA LYS 69 HA LYS 69 -4.783 13.828 -3.736 550 HB2 LYS 69 2HB LYS 69 -6.656 14.631 -5.090 551 HB3 LYS 69 1HB LYS 69 -6.519 12.876 -5.215 552 HG2 LYS 69 2HG LYS 69 -8.275 12.642 -3.465 553 HG3 LYS 69 1HG LYS 69 -8.453 14.395 -3.435 554 HD2 LYS 69 2HD LYS 69 -9.067 14.386 -5.819 555 HD3 LYS 69 1HD LYS 69 -8.890 12.630 -5.858 556 HE2 LYS 69 2HE LYS 69 -10.659 12.412 -4.150 557 HE3 LYS 69 1HE LYS 69 -10.839 14.164 -4.112 558 HZ1 LYS 69 3HZ LYS 69 -12.487 13.129 -5.547 559 HZ2 LYS 69 1HZ LYS 69 -11.259 12.440 -6.492 560 HZ3 LYS 69 2HZ LYS 69 -11.444 14.127 -6.444 561 H GLU 70 H GLU 70 -6.599 13.532 -0.969 562 HA GLU 70 HA GLU 70 -7.564 16.209 -0.677 563 HB2 GLU 70 2HB GLU 70 -8.468 14.252 0.586 564 HB3 GLU 70 1HB GLU 70 -6.950 14.174 1.481 565 HG2 GLU 70 2HG GLU 70 -7.302 16.462 2.309 566 HG3 GLU 70 1HG GLU 70 -8.802 16.574 1.390 567 H HIS 71 H HIS 71 -4.620 14.501 0.296 568 HA HIS 71 HA HIS 71 -3.521 17.021 1.401 569 HB2 HIS 71 2HB HIS 71 -2.373 14.236 1.628 570 HB3 HIS 71 1HB HIS 71 -1.923 15.669 2.547 571 HD1 HIS 71 HD1 HIS 71 -4.438 12.943 2.394 572 HD2 HIS 71 HD2 HIS 71 -3.881 16.493 4.507 573 HE1 HIS 71 HE1 HIS 71 -6.072 12.889 4.328 574 H ASP 72 H ASP 72 -2.243 18.174 0.141 575 HA ASP 72 HA ASP 72 -1.402 17.421 -2.423 576 HB2 ASP 72 2HB ASP 72 0.155 19.374 -2.237 577 HB3 ASP 72 1HB ASP 72 -1.511 19.755 -1.802 578 H VAL 73 H VAL 73 0.320 17.325 0.684 579 HA VAL 73 HA VAL 73 2.852 16.590 -0.231 580 HB VAL 73 HB VAL 73 2.518 17.183 2.078 581 HG11 VAL 73 1HG1 VAL 73 0.243 15.385 1.847 582 HG12 VAL 73 2HG1 VAL 73 0.616 16.504 3.151 583 HG13 VAL 73 3HG1 VAL 73 1.239 14.860 3.204 584 HG21 VAL 73 3HG2 VAL 73 3.841 15.495 3.109 585 HG22 VAL 73 1HG2 VAL 73 4.245 15.370 1.397 586 HG23 VAL 73 2HG2 VAL 73 3.127 14.222 2.127 587 H ILE 74 H ILE 74 -0.086 14.722 0.053 588 HA ILE 74 HA ILE 74 1.360 12.252 -0.787 589 HB ILE 74 HB ILE 74 -1.419 12.507 0.392 590 HG12 ILE 74 2HG1 ILE 74 0.292 13.112 2.041 591 HG13 ILE 74 1HG1 ILE 74 -0.378 11.540 2.433 592 HG21 ILE 74 1HG2 ILE 74 -1.246 10.530 -0.946 593 HG22 ILE 74 2HG2 ILE 74 -1.027 10.016 0.724 594 HG23 ILE 74 3HG2 ILE 74 0.369 10.187 -0.334 595 HD11 ILE 74 3HD1 ILE 74 1.655 10.633 0.997 596 HD12 ILE 74 1HD1 ILE 74 1.922 11.160 2.656 597 HD13 ILE 74 2HD1 ILE 74 2.331 12.221 1.318 598 H GLY 75 H GLY 75 -0.653 14.769 -1.846 599 HA2 GLY 75 2HA GLY 75 -2.449 13.781 -3.607 600 HA3 GLY 75 1HA GLY 75 -1.412 15.141 -4.020 601 H THR 76 H THR 76 0.937 14.333 -4.618 602 HA THR 76 HA THR 76 1.020 13.224 -7.067 603 HB THR 76 HB THR 76 3.324 12.483 -6.600 604 HG1 THR 76 HG1 THR 76 2.725 13.137 -3.912 605 HG21 THR 76 3HG2 THR 76 4.194 14.625 -6.056 606 HG22 THR 76 1HG2 THR 76 2.797 15.023 -5.056 607 HG23 THR 76 2HG2 THR 76 2.633 14.948 -6.812 608 H LYS 77 H LYS 77 0.399 11.504 -4.122 609 HA LYS 77 HA LYS 77 1.008 8.875 -4.870 610 HB2 LYS 77 2HB LYS 77 0.345 9.609 -2.572 611 HB3 LYS 77 1HB LYS 77 -1.319 9.755 -3.142 612 HG2 LYS 77 2HG LYS 77 -1.336 7.390 -3.733 613 HG3 LYS 77 1HG LYS 77 0.346 7.249 -3.235 614 HD2 LYS 77 2HD LYS 77 -0.276 7.894 -0.937 615 HD3 LYS 77 1HD LYS 77 -1.962 8.005 -1.436 616 HE2 LYS 77 2HE LYS 77 -0.256 5.500 -1.565 617 HE3 LYS 77 1HE LYS 77 -1.504 5.829 -0.363 618 HZ1 LYS 77 3HZ LYS 77 -2.430 4.479 -2.079 619 HZ2 LYS 77 1HZ LYS 77 -1.881 5.530 -3.291 620 HZ3 LYS 77 2HZ LYS 77 -3.101 6.034 -2.221 621 H VAL 78 H VAL 78 -1.945 10.797 -5.367 622 HA VAL 78 HA VAL 78 -3.568 8.810 -6.462 623 HB VAL 78 HB VAL 78 -4.192 11.220 -5.847 624 HG11 VAL 78 1HG1 VAL 78 -3.912 12.942 -7.470 625 HG12 VAL 78 2HG1 VAL 78 -3.432 11.795 -8.718 626 HG13 VAL 78 3HG1 VAL 78 -2.343 12.146 -7.387 627 HG21 VAL 78 3HG2 VAL 78 -5.859 9.812 -6.831 628 HG22 VAL 78 1HG2 VAL 78 -5.096 9.903 -8.418 629 HG23 VAL 78 2HG2 VAL 78 -5.899 11.321 -7.743 630 H CYS 79 H CYS 79 -1.172 10.926 -8.019 631 HA CYS 79 HA CYS 79 -1.659 10.125 -10.684 632 HB2 CYS 79 2HB CYS 79 0.860 11.168 -9.366 633 HB3 CYS 79 1HB CYS 79 0.642 11.000 -11.108 634 HG CYS 79 HG CYS 79 -0.480 13.251 -9.413 635 H ALA 80 H ALA 80 0.715 8.994 -8.270 636 HA ALA 80 HA ALA 80 1.923 7.015 -9.880 637 HB1 ALA 80 3HB ALA 80 2.586 5.988 -7.686 638 HB2 ALA 80 1HB ALA 80 1.575 7.187 -6.881 639 HB3 ALA 80 2HB ALA 80 2.974 7.705 -7.820 640 H LEU 81 H LEU 81 -0.766 6.791 -7.559 641 HA LEU 81 HA LEU 81 -1.277 4.089 -7.730 642 HB2 LEU 81 2HB LEU 81 -2.415 5.626 -6.143 643 HB3 LEU 81 1HB LEU 81 -3.321 6.323 -7.484 644 HG LEU 81 HG LEU 81 -4.284 4.065 -7.965 645 HD11 LEU 81 1HD1 LEU 81 -2.497 3.343 -5.655 646 HD12 LEU 81 2HD1 LEU 81 -2.801 2.472 -7.152 647 HD13 LEU 81 3HD1 LEU 81 -4.007 2.458 -5.876 648 HD21 LEU 81 3HD2 LEU 81 -5.534 5.633 -6.566 649 HD22 LEU 81 1HD2 LEU 81 -4.658 5.081 -5.136 650 HD23 LEU 81 2HD2 LEU 81 -5.756 3.984 -5.975 651 H LEU 82 H LEU 82 -2.390 6.730 -9.830 652 HA LEU 82 HA LEU 82 -4.123 5.206 -11.436 653 HB2 LEU 82 2HB LEU 82 -3.648 7.811 -11.323 654 HB3 LEU 82 1HB LEU 82 -2.478 7.457 -12.591 655 HG LEU 82 HG LEU 82 -5.409 6.688 -12.692 656 HD11 LEU 82 1HD1 LEU 82 -5.174 9.098 -12.827 657 HD12 LEU 82 2HD1 LEU 82 -5.549 8.458 -14.427 658 HD13 LEU 82 3HD1 LEU 82 -3.899 8.937 -14.035 659 HD21 LEU 82 3HD2 LEU 82 -4.379 5.167 -14.116 660 HD22 LEU 82 1HD2 LEU 82 -3.050 6.250 -14.516 661 HD23 LEU 82 2HD2 LEU 82 -4.645 6.498 -15.232 662 H ASP 83 H ASP 83 -0.662 5.979 -11.815 663 HA ASP 83 HA ASP 83 -0.280 4.610 -14.261 664 HB2 ASP 83 2HB ASP 83 1.606 5.291 -12.004 665 HB3 ASP 83 1HB ASP 83 2.143 4.519 -13.496 666 H ARG 84 H ARG 84 -0.024 3.535 -10.892 667 HA ARG 84 HA ARG 84 0.955 0.931 -11.447 668 HB2 ARG 84 2HB ARG 84 -0.298 2.325 -9.124 669 HB3 ARG 84 1HB ARG 84 -0.354 0.565 -9.088 670 HG2 ARG 84 2HG ARG 84 1.672 1.589 -7.984 671 HG3 ARG 84 1HG ARG 84 2.036 0.412 -9.249 672 HD2 ARG 84 2HD ARG 84 2.830 2.042 -10.713 673 HD3 ARG 84 1HD ARG 84 1.825 3.297 -10.017 674 HE ARG 84 HE ARG 84 3.888 2.313 -8.253 675 HH11 ARG 84 1HH2 ARG 84 2.951 4.543 -10.731 676 HH12 ARG 84 2HH2 ARG 84 4.167 5.711 -10.330 677 HH21 ARG 84 1HH1 ARG 84 5.478 3.837 -7.724 678 HH22 ARG 84 2HH1 ARG 84 5.599 5.309 -8.626 679 H LEU 85 H LEU 85 -2.326 2.157 -11.001 680 HA LEU 85 HA LEU 85 -3.561 -0.374 -11.356 681 HB2 LEU 85 2HB LEU 85 -4.447 2.464 -11.187 682 HB3 LEU 85 1HB LEU 85 -5.554 1.382 -12.028 683 HG LEU 85 HG LEU 85 -5.975 1.565 -9.550 684 HD11 LEU 85 1HD1 LEU 85 -6.216 -0.639 -11.176 685 HD12 LEU 85 2HD1 LEU 85 -6.730 -0.608 -9.496 686 HD13 LEU 85 3HD1 LEU 85 -5.165 -1.290 -9.917 687 HD21 LEU 85 3HD2 LEU 85 -3.593 -0.197 -9.036 688 HD22 LEU 85 1HD2 LEU 85 -4.407 0.937 -7.960 689 HD23 LEU 85 2HD2 LEU 85 -3.305 1.531 -9.199 690 H ALA 86 H ALA 86 -2.329 1.995 -13.527 691 HA ALA 86 HA ALA 86 -3.819 1.426 -15.821 692 HB1 ALA 86 3HB ALA 86 -2.062 2.472 -17.045 693 HB2 ALA 86 1HB ALA 86 -0.870 2.069 -15.812 694 HB3 ALA 86 2HB ALA 86 -2.107 3.282 -15.480 695 H GLY 87 H GLY 87 -0.859 -0.089 -14.569 696 HA2 GLY 87 2HA GLY 87 -1.257 -2.677 -15.139 697 HA3 GLY 87 1HA GLY 87 -0.829 -2.051 -16.728 698 H ASP 88 H ASP 88 1.046 -0.092 -15.883 699 HA ASP 88 HA ASP 88 3.346 -1.814 -15.451 700 HB2 ASP 88 2HB ASP 88 3.060 1.153 -15.956 701 HB3 ASP 88 1HB ASP 88 4.609 0.347 -15.723 702 H TYR 89 H TYR 89 4.301 -2.163 -13.559 703 HA TYR 89 HA TYR 89 3.882 -0.250 -11.339 704 HB2 TYR 89 2HB TYR 89 3.693 -2.181 -9.799 705 HB3 TYR 89 1HB TYR 89 2.366 -2.111 -10.956 706 HD1 TYR 89 HD2 TYR 89 2.920 -3.393 -13.291 707 HD2 TYR 89 HD1 TYR 89 4.678 -4.277 -9.477 708 HE1 TYR 89 HE2 TYR 89 3.518 -5.630 -14.100 709 HE2 TYR 89 HE1 TYR 89 5.275 -6.541 -10.294 710 HH TYR 89 HH TYR 89 5.641 -7.703 -12.396 711 H VAL 90 H VAL 90 5.374 -2.735 -9.982 712 HA VAL 90 HA VAL 90 8.096 -1.985 -10.851 713 HB VAL 90 HB VAL 90 8.758 -1.972 -8.447 714 HG11 VAL 90 1HG1 VAL 90 6.596 0.013 -9.219 715 HG12 VAL 90 2HG1 VAL 90 8.295 0.118 -9.676 716 HG13 VAL 90 3HG1 VAL 90 7.831 0.260 -7.983 717 HG21 VAL 90 3HG2 VAL 90 5.755 -1.957 -7.996 718 HG22 VAL 90 1HG2 VAL 90 6.992 -1.774 -6.752 719 HG23 VAL 90 2HG2 VAL 90 6.828 -3.304 -7.614 720 H TYR 91 H TYR 91 9.747 -3.510 -10.029 721 HA TYR 91 HA TYR 91 8.650 -6.282 -9.904 722 HB2 TYR 91 2HB TYR 91 11.413 -5.525 -10.840 723 HB3 TYR 91 1HB TYR 91 10.544 -7.037 -11.088 724 HD1 TYR 91 HD2 TYR 91 8.026 -6.540 -12.140 725 HD2 TYR 91 HD1 TYR 91 11.580 -4.207 -12.765 726 HE1 TYR 91 HE2 TYR 91 7.080 -5.663 -14.256 727 HE2 TYR 91 HE1 TYR 91 10.637 -3.334 -14.879 728 HH TYR 91 HH TYR 91 8.109 -3.015 -15.769 729 H LEU 92 H LEU 92 9.463 -7.679 -8.415 730 HA LEU 92 HA LEU 92 11.417 -6.618 -6.484 731 HB2 LEU 92 2HB LEU 92 9.408 -6.335 -5.325 732 HB3 LEU 92 1HB LEU 92 8.710 -7.817 -5.957 733 HG LEU 92 HG LEU 92 11.209 -7.942 -4.257 734 HD11 LEU 92 1HD1 LEU 92 8.488 -7.193 -3.318 735 HD12 LEU 92 2HD1 LEU 92 10.069 -6.879 -2.602 736 HD13 LEU 92 3HD1 LEU 92 9.305 -8.451 -2.386 737 HD21 LEU 92 3HD2 LEU 92 10.886 -10.157 -4.535 738 HD22 LEU 92 1HD2 LEU 92 9.420 -9.872 -5.459 739 HD23 LEU 92 2HD2 LEU 92 9.336 -10.056 -3.713 740 H PHE 93 H PHE 93 12.841 -8.055 -5.616 741 HA PHE 93 HA PHE 93 12.535 -10.915 -6.182 742 HB2 PHE 93 2HB PHE 93 14.981 -10.876 -7.110 743 HB3 PHE 93 1HB PHE 93 13.655 -10.452 -8.189 744 HD1 PHE 93 HD1 PHE 93 16.301 -9.041 -5.987 745 HD2 PHE 93 HD2 PHE 93 13.439 -8.254 -9.091 746 HE1 PHE 93 HE1 PHE 93 17.305 -6.801 -6.346 747 HE2 PHE 93 HE2 PHE 93 14.443 -6.016 -9.453 748 HZ PHE 93 HZ PHE 93 16.376 -5.289 -8.081 749 H ASP 94 H ASP 94 14.253 -12.207 -5.126 750 HA ASP 94 HA ASP 94 14.737 -11.236 -2.472 751 HB2 ASP 94 2HB ASP 94 15.809 -13.424 -2.122 752 HB3 ASP 94 1HB ASP 94 14.234 -13.601 -2.893 753 H GLU 95 H GLU 95 17.041 -11.716 -1.546 754 HA GLU 95 HA GLU 95 18.819 -9.865 -2.814 755 HB2 GLU 95 2HB GLU 95 19.152 -11.701 -0.434 756 HB3 GLU 95 1HB GLU 95 20.380 -10.552 -0.964 757 HG2 GLU 95 2HG GLU 95 18.831 -8.693 -0.663 758 HG3 GLU 95 1HG GLU 95 17.533 -9.808 -0.240 759 H GLY 96 H GLY 96 18.109 -12.361 -4.296 760 HA2 GLY 96 2HA GLY 96 20.879 -13.250 -4.880 761 HA3 GLY 96 1HA GLY 96 19.569 -14.418 -4.719 762 H GLY 97 H GLY 97 17.628 -13.986 -6.167 763 HA2 GLY 97 2HA GLY 97 17.735 -12.399 -8.459 764 HA3 GLY 97 1HA GLY 97 18.461 -13.944 -8.871 765 H ASP 98 H ASP 98 16.830 -15.525 -7.106 766 HA ASP 98 HA ASP 98 14.612 -16.010 -8.818 767 HB2 ASP 98 2HB ASP 98 15.349 -17.012 -6.068 768 HB3 ASP 98 1HB ASP 98 13.891 -17.536 -6.906 769 H GLU 99 H GLU 99 12.477 -15.480 -8.635 770 HA GLU 99 HA GLU 99 11.849 -13.228 -6.887 771 HB2 GLU 99 2HB GLU 99 10.245 -14.653 -9.030 772 HB3 GLU 99 1HB GLU 99 9.695 -13.233 -8.149 773 HG2 GLU 99 2HG GLU 99 10.617 -12.288 -10.090 774 HG3 GLU 99 1HG GLU 99 11.946 -12.153 -8.943 775 H VAL 100 H VAL 100 11.846 -14.217 -4.843 776 HA VAL 100 HA VAL 100 9.357 -15.696 -4.275 777 HB VAL 100 HB VAL 100 12.134 -16.542 -3.416 778 HG11 VAL 100 1HG1 VAL 100 10.768 -16.810 -1.485 779 HG12 VAL 100 2HG1 VAL 100 10.789 -18.397 -2.253 780 HG13 VAL 100 3HG1 VAL 100 9.387 -17.343 -2.443 781 HG21 VAL 100 3HG2 VAL 100 11.463 -17.324 -5.644 782 HG22 VAL 100 1HG2 VAL 100 9.933 -17.912 -4.993 783 HG23 VAL 100 2HG2 VAL 100 11.450 -18.671 -4.506 784 H ILE 101 H ILE 101 8.330 -14.884 -2.577 785 HA ILE 101 HA ILE 101 9.218 -12.581 -1.216 786 HB ILE 101 HB ILE 101 7.167 -14.512 -0.123 787 HG12 ILE 101 2HG1 ILE 101 6.618 -14.289 -2.465 788 HG13 ILE 101 1HG1 ILE 101 5.541 -13.221 -1.568 789 HG21 ILE 101 1HG2 ILE 101 7.785 -12.523 1.234 790 HG22 ILE 101 2HG2 ILE 101 6.118 -12.434 0.665 791 HG23 ILE 101 3HG2 ILE 101 7.373 -11.484 -0.130 792 HD11 ILE 101 3HD1 ILE 101 7.979 -12.478 -3.169 793 HD12 ILE 101 1HD1 ILE 101 7.255 -11.368 -2.008 794 HD13 ILE 101 2HD1 ILE 101 6.323 -11.922 -3.399 795 H ALA 102 H ALA 102 10.428 -12.278 0.537 796 HA ALA 102 HA ALA 102 10.814 -14.448 2.437 797 HB1 ALA 102 3HB ALA 102 13.447 -13.345 1.823 798 HB2 ALA 102 1HB ALA 102 12.700 -14.008 0.371 799 HB3 ALA 102 2HB ALA 102 12.921 -15.029 1.788 800 HA PRO 103 HA PRO 103 11.205 -11.448 5.612 801 HB2 PRO 103 2HB PRO 103 14.085 -12.181 6.040 802 HB3 PRO 103 1HB PRO 103 12.754 -12.119 7.212 803 HG2 PRO 103 2HG PRO 103 13.672 -14.444 6.274 804 HG3 PRO 103 1HG PRO 103 11.949 -14.194 6.607 805 HD2 PRO 103 2HD PRO 103 13.363 -14.313 3.975 806 HD3 PRO 103 1HD PRO 103 11.713 -14.811 4.409 807 H ARG 104 H ARG 104 14.077 -11.551 3.512 808 HA ARG 104 HA ARG 104 14.205 -8.577 3.604 809 HB2 ARG 104 2HB ARG 104 16.521 -10.330 2.807 810 HB3 ARG 104 1HB ARG 104 16.529 -8.671 3.402 811 HG2 ARG 104 2HG ARG 104 17.079 -9.645 5.419 812 HG3 ARG 104 1HG ARG 104 15.347 -9.947 5.543 813 HD2 ARG 104 2HD ARG 104 15.721 -12.150 4.388 814 HD3 ARG 104 1HD ARG 104 17.452 -11.843 4.474 815 HE ARG 104 HE ARG 104 16.518 -11.545 7.059 816 HH11 ARG 104 1HH2 ARG 104 16.532 -13.980 4.603 817 HH12 ARG 104 2HH2 ARG 104 16.567 -15.302 5.720 818 HH21 ARG 104 1HH1 ARG 104 16.563 -13.268 8.531 819 HH22 ARG 104 2HH1 ARG 104 16.584 -14.898 7.946 820 H MET 105 H MET 105 12.929 -8.108 1.878 821 HA MET 105 HA MET 105 13.800 -9.173 -0.761 822 HB2 MET 105 2HB MET 105 11.347 -8.412 -1.358 823 HB3 MET 105 1HB MET 105 11.627 -9.977 -0.606 824 HG2 MET 105 2HG MET 105 9.785 -8.734 0.489 825 HG3 MET 105 1HG MET 105 11.117 -9.049 1.599 826 HE1 MET 105 3HE MET 105 8.773 -6.329 0.217 827 HE2 MET 105 1HE MET 105 9.124 -5.359 1.656 828 HE3 MET 105 2HE MET 105 8.762 -7.078 1.812 829 H TYR 106 H TYR 106 13.175 -7.640 -2.559 830 HA TYR 106 HA TYR 106 13.412 -4.800 -1.779 831 HB2 TYR 106 2HB TYR 106 15.692 -5.463 -2.203 832 HB3 TYR 106 1HB TYR 106 15.231 -6.271 -3.702 833 HD1 TYR 106 HD1 TYR 106 15.170 -2.926 -2.021 834 HD2 TYR 106 HD2 TYR 106 15.224 -5.083 -5.728 835 HE1 TYR 106 HE1 TYR 106 15.436 -0.793 -3.257 836 HE2 TYR 106 HE2 TYR 106 15.497 -2.958 -6.978 837 HH TYR 106 HH TYR 106 14.770 -0.144 -5.967 838 H CYS 107 H CYS 107 11.890 -3.682 -2.767 839 HA CYS 107 HA CYS 107 10.934 -4.567 -5.438 840 HB2 CYS 107 2HB CYS 107 9.317 -4.899 -3.496 841 HB3 CYS 107 1HB CYS 107 9.235 -3.148 -3.395 842 HG CYS 107 HG CYS 107 8.269 -3.087 -5.816 843 H SER 108 H SER 108 11.136 -3.134 -6.992 844 HA SER 108 HA SER 108 10.706 -0.334 -6.669 845 HB2 SER 108 2HB SER 108 12.948 0.517 -6.936 846 HB3 SER 108 1HB SER 108 12.930 -0.545 -5.533 847 HG SER 108 HG SER 108 13.446 -2.150 -7.442 848 H PHE 109 H PHE 109 11.944 0.804 -8.711 849 HA PHE 109 HA PHE 109 10.869 -0.617 -11.027 850 HB2 PHE 109 2HB PHE 109 12.012 2.156 -10.650 851 HB3 PHE 109 1HB PHE 109 11.499 1.523 -12.213 852 HD1 PHE 109 HD1 PHE 109 10.381 2.568 -8.857 853 HD2 PHE 109 HD2 PHE 109 9.152 1.126 -12.711 854 HE1 PHE 109 HE1 PHE 109 8.027 3.141 -8.320 855 HE2 PHE 109 HE2 PHE 109 6.798 1.698 -12.175 856 HZ PHE 109 HZ PHE 109 6.237 2.702 -9.981 857 H SER 110 H SER 110 12.901 -2.112 -10.181 858 HA SER 110 HA SER 110 14.920 -1.741 -12.285 859 HB2 SER 110 2HB SER 110 15.912 -0.663 -10.316 860 HB3 SER 110 1HB SER 110 15.614 -2.110 -9.358 861 HG SER 110 HG SER 110 17.511 -1.601 -11.316 862 H ALA 111 H ALA 111 16.418 -3.708 -12.289 863 HA ALA 111 HA ALA 111 14.748 -6.108 -11.878 864 HB1 ALA 111 3HB ALA 111 15.304 -6.696 -13.999 865 HB2 ALA 111 1HB ALA 111 17.024 -6.595 -13.620 866 HB3 ALA 111 2HB ALA 111 16.152 -5.164 -14.154 867 HA PRO 112 HA PRO 112 17.416 -8.200 -9.110 868 HB2 PRO 112 2HB PRO 112 18.274 -10.075 -11.295 869 HB3 PRO 112 1HB PRO 112 17.635 -10.440 -9.681 870 HG2 PRO 112 2HG PRO 112 16.116 -10.682 -11.864 871 HG3 PRO 112 1HG PRO 112 15.445 -10.115 -10.323 872 HD2 PRO 112 2HD PRO 112 16.061 -8.565 -12.797 873 HD3 PRO 112 1HD PRO 112 14.817 -8.289 -11.555 874 H ASP 113 H ASP 113 18.859 -7.722 -12.317 875 HA ASP 113 HA ASP 113 21.557 -7.860 -11.492 876 HB2 ASP 113 2HB ASP 113 22.048 -6.747 -13.647 877 HB3 ASP 113 1HB ASP 113 20.939 -8.105 -13.837 878 H ASP 114 H ASP 114 19.210 -5.317 -11.499 879 HA ASP 114 HA ASP 114 19.273 -3.123 -10.777 880 HB2 ASP 114 2HB ASP 114 21.314 -4.449 -8.993 881 HB3 ASP 114 1HB ASP 114 20.860 -2.757 -8.804 Start of MODEL 11 1 HA2 GLY 1 2HA GLY 1 -20.510 -14.700 25.179 2 HA3 GLY 1 1HA GLY 1 -18.829 -14.394 24.742 3 H LYS 2 H LYS 2 -18.064 -15.416 22.991 4 HA LYS 2 HA LYS 2 -19.662 -17.203 21.435 5 HB2 LYS 2 2HB LYS 2 -17.988 -15.646 20.501 6 HB3 LYS 2 1HB LYS 2 -16.708 -16.654 21.180 7 HG2 LYS 2 2HG LYS 2 -17.493 -18.576 19.893 8 HG3 LYS 2 1HG LYS 2 -18.861 -17.639 19.285 9 HD2 LYS 2 2HD LYS 2 -17.309 -16.068 18.211 10 HD3 LYS 2 1HD LYS 2 -15.941 -17.020 18.794 11 HE2 LYS 2 2HE LYS 2 -16.733 -18.963 17.546 12 HE3 LYS 2 1HE LYS 2 -18.143 -18.055 17.003 13 HZ1 LYS 2 3HZ LYS 2 -16.737 -16.547 15.803 14 HZ2 LYS 2 1HZ LYS 2 -16.302 -18.122 15.350 15 HZ3 LYS 2 2HZ LYS 2 -15.331 -17.254 16.441 16 H LYS 3 H LYS 3 -16.388 -18.199 21.775 17 HA LYS 3 HA LYS 3 -16.699 -20.204 23.733 18 HB2 LYS 3 2HB LYS 3 -18.102 -20.905 21.500 19 HB3 LYS 3 1HB LYS 3 -16.527 -21.564 21.077 20 HG2 LYS 3 2HG LYS 3 -16.472 -22.870 23.129 21 HG3 LYS 3 1HG LYS 3 -17.972 -22.124 23.682 22 HD2 LYS 3 2HD LYS 3 -19.125 -23.052 21.681 23 HD3 LYS 3 1HD LYS 3 -17.632 -23.890 21.250 24 HE2 LYS 3 2HE LYS 3 -19.138 -24.231 23.857 25 HE3 LYS 3 1HE LYS 3 -19.156 -25.372 22.514 26 HZ1 LYS 3 3HZ LYS 3 -16.903 -24.642 24.279 27 HZ2 LYS 3 1HZ LYS 3 -16.637 -25.359 22.764 28 HZ3 LYS 3 2HZ LYS 3 -17.534 -26.185 23.947 29 H VAL 4 H VAL 4 -14.906 -22.001 23.242 30 HA VAL 4 HA VAL 4 -12.570 -22.123 23.518 31 HB VAL 4 HB VAL 4 -11.547 -22.211 21.236 32 HG11 VAL 4 1HG1 VAL 4 -12.818 -24.081 20.494 33 HG12 VAL 4 2HG1 VAL 4 -14.289 -23.474 21.254 34 HG13 VAL 4 3HG1 VAL 4 -12.959 -24.063 22.251 35 HG21 VAL 4 3HG2 VAL 4 -14.300 -21.373 20.266 36 HG22 VAL 4 1HG2 VAL 4 -12.864 -21.668 19.285 37 HG23 VAL 4 2HG2 VAL 4 -12.932 -20.265 20.350 38 H GLU 5 H GLU 5 -10.923 -20.659 21.375 39 HA GLU 5 HA GLU 5 -10.991 -17.924 22.470 40 HB2 GLU 5 2HB GLU 5 -8.598 -19.762 22.371 41 HB3 GLU 5 1HB GLU 5 -8.486 -18.019 22.624 42 HG2 GLU 5 2HG GLU 5 -9.917 -18.206 24.620 43 HG3 GLU 5 1HG GLU 5 -10.057 -19.944 24.364 44 H PHE 6 H PHE 6 -10.644 -20.047 19.859 45 HA PHE 6 HA PHE 6 -10.493 -19.661 17.611 46 HB2 PHE 6 2HB PHE 6 -11.594 -17.364 18.528 47 HB3 PHE 6 1HB PHE 6 -10.085 -16.712 17.905 48 HD1 PHE 6 HD2 PHE 6 -9.394 -17.951 15.536 49 HD2 PHE 6 HD1 PHE 6 -13.366 -17.306 17.033 50 HE1 PHE 6 HE2 PHE 6 -10.290 -18.116 13.238 51 HE2 PHE 6 HE1 PHE 6 -14.257 -17.476 14.744 52 HZ PHE 6 HZ PHE 6 -12.726 -17.870 12.831 53 H ASN 7 H ASN 7 -8.318 -20.683 18.484 54 HA ASN 7 HA ASN 7 -6.065 -20.897 18.088 55 HB2 ASN 7 2HB ASN 7 -6.208 -18.425 16.366 56 HB3 ASN 7 1HB ASN 7 -5.123 -19.802 16.224 57 HD21 ASN 7 1HD2 ASN 7 -7.534 -21.647 16.795 58 HD22 ASN 7 2HD2 ASN 7 -8.343 -21.717 15.305 59 H ASP 8 H ASP 8 -5.176 -20.476 20.046 60 HA ASP 8 HA ASP 8 -5.021 -17.850 21.181 61 HB2 ASP 8 2HB ASP 8 -3.650 -20.446 21.892 62 HB3 ASP 8 1HB ASP 8 -3.502 -18.962 22.834 63 H LYS 9 H LYS 9 -3.281 -16.476 21.354 64 HA LYS 9 HA LYS 9 -1.666 -16.024 19.254 65 HB2 LYS 9 2HB LYS 9 -1.796 -14.443 21.035 66 HB3 LYS 9 1HB LYS 9 -0.998 -15.551 22.153 67 HG2 LYS 9 2HG LYS 9 1.082 -15.380 20.996 68 HG3 LYS 9 1HG LYS 9 0.327 -14.646 19.580 69 HD2 LYS 9 2HD LYS 9 0.080 -13.225 22.223 70 HD3 LYS 9 1HD LYS 9 1.618 -13.141 21.370 71 HE2 LYS 9 2HE LYS 9 -1.072 -12.399 20.175 72 HE3 LYS 9 1HE LYS 9 0.126 -11.248 20.769 73 HZ1 LYS 9 3HZ LYS 9 1.600 -12.772 19.138 74 HZ2 LYS 9 1HZ LYS 9 0.864 -11.315 18.672 75 HZ3 LYS 9 2HZ LYS 9 0.105 -12.795 18.330 76 HA PRO 10 HA PRO 10 0.908 -19.770 19.027 77 HB2 PRO 10 2HB PRO 10 2.687 -17.831 17.580 78 HB3 PRO 10 1HB PRO 10 2.193 -19.468 17.111 79 HG2 PRO 10 2HG PRO 10 1.097 -17.291 16.001 80 HG3 PRO 10 1HG PRO 10 0.160 -18.767 16.295 81 HD2 PRO 10 2HD PRO 10 0.042 -16.158 17.718 82 HD3 PRO 10 1HD PRO 10 -1.204 -17.411 17.546 83 H LYS 11 H LYS 11 3.428 -20.117 19.294 84 HA LYS 11 HA LYS 11 4.873 -18.305 20.928 85 HB2 LYS 11 2HB LYS 11 3.133 -19.080 22.559 86 HB3 LYS 11 1HB LYS 11 3.770 -20.714 22.390 87 HG2 LYS 11 2HG LYS 11 5.973 -19.958 23.158 88 HG3 LYS 11 1HG LYS 11 5.383 -18.300 23.268 89 HD2 LYS 11 2HD LYS 11 3.708 -19.022 24.943 90 HD3 LYS 11 1HD LYS 11 4.342 -20.665 24.853 91 HE2 LYS 11 2HE LYS 11 5.993 -18.243 25.623 92 HE3 LYS 11 1HE LYS 11 5.270 -19.360 26.778 93 HZ1 LYS 11 3HZ LYS 11 7.651 -19.800 26.136 94 HZ2 LYS 11 1HZ LYS 11 7.071 -20.264 24.612 95 HZ3 LYS 11 2HZ LYS 11 6.589 -21.118 25.998 96 H VAL 12 H VAL 12 4.813 -21.774 21.520 97 HA VAL 12 HA VAL 12 7.370 -22.057 20.043 98 HB VAL 12 HB VAL 12 7.726 -23.972 21.755 99 HG11 VAL 12 1HG1 VAL 12 8.402 -22.183 23.542 100 HG12 VAL 12 2HG1 VAL 12 7.872 -21.015 22.332 101 HG13 VAL 12 3HG1 VAL 12 9.176 -22.139 21.959 102 HG21 VAL 12 3HG2 VAL 12 5.799 -22.311 23.395 103 HG22 VAL 12 1HG2 VAL 12 6.494 -23.883 23.791 104 HG23 VAL 12 2HG2 VAL 12 5.272 -23.750 22.526 105 H ARG 13 H ARG 13 4.958 -22.383 18.717 106 HA ARG 13 HA ARG 13 4.900 -25.317 18.280 107 HB2 ARG 13 2HB ARG 13 2.577 -23.378 18.240 108 HB3 ARG 13 1HB ARG 13 2.497 -25.043 17.659 109 HG2 ARG 13 2HG ARG 13 3.143 -25.871 19.881 110 HG3 ARG 13 1HG ARG 13 3.269 -24.216 20.474 111 HD2 ARG 13 2HD ARG 13 0.737 -25.416 19.325 112 HD3 ARG 13 1HD ARG 13 1.091 -25.324 21.050 113 HE ARG 13 HE ARG 13 0.332 -23.117 19.312 114 HH11 ARG 13 1HH2 ARG 13 1.796 -24.150 22.273 115 HH12 ARG 13 2HH2 ARG 13 1.533 -22.643 23.087 116 HH21 ARG 13 1HH1 ARG 13 -0.014 -21.140 20.374 117 HH22 ARG 13 2HH1 ARG 13 0.509 -20.940 22.013 118 H LYS 14 H LYS 14 4.089 -25.883 16.085 119 HA LYS 14 HA LYS 14 5.635 -24.608 14.102 120 HB2 LYS 14 2HB LYS 14 3.308 -26.523 13.884 121 HB3 LYS 14 1HB LYS 14 4.304 -26.022 12.517 122 HG2 LYS 14 2HG LYS 14 6.306 -26.912 13.624 123 HG3 LYS 14 1HG LYS 14 5.338 -27.377 15.024 124 HD2 LYS 14 2HD LYS 14 3.970 -28.847 13.544 125 HD3 LYS 14 1HD LYS 14 5.042 -28.443 12.202 126 HE2 LYS 14 2HE LYS 14 5.927 -29.730 14.802 127 HE3 LYS 14 1HE LYS 14 5.677 -30.589 13.283 128 HZ1 LYS 14 3HZ LYS 14 7.745 -28.608 13.971 129 HZ2 LYS 14 1HZ LYS 14 7.301 -28.844 12.351 130 HZ3 LYS 14 2HZ LYS 14 7.924 -30.140 13.259 131 H ILE 15 H ILE 15 5.244 -22.952 12.803 132 HA ILE 15 HA ILE 15 2.901 -21.369 13.228 133 HB ILE 15 HB ILE 15 4.104 -20.169 11.079 134 HG12 ILE 15 2HG1 ILE 15 5.751 -22.233 11.213 135 HG13 ILE 15 1HG1 ILE 15 6.393 -20.618 10.928 136 HG21 ILE 15 1HG2 ILE 15 3.776 -18.916 13.054 137 HG22 ILE 15 2HG2 ILE 15 5.533 -18.971 12.874 138 HG23 ILE 15 3HG2 ILE 15 4.731 -20.038 14.027 139 HD11 ILE 15 3HD1 ILE 15 6.121 -21.642 13.750 140 HD12 ILE 15 1HD1 ILE 15 7.202 -20.407 13.117 141 HD13 ILE 15 2HD1 ILE 15 7.513 -22.108 12.772 142 HA PRO 16 HA PRO 16 0.029 -22.610 10.146 143 HB2 PRO 16 2HB PRO 16 0.420 -19.940 8.833 144 HB3 PRO 16 1HB PRO 16 -1.086 -20.751 9.303 145 HG2 PRO 16 2HG PRO 16 -0.014 -18.723 10.732 146 HG3 PRO 16 1HG PRO 16 -0.946 -20.034 11.477 147 HD2 PRO 16 2HD PRO 16 1.963 -19.506 11.632 148 HD3 PRO 16 1HD PRO 16 0.930 -20.481 12.697 149 H SER 17 H SER 17 -0.109 -23.300 7.954 150 HA SER 17 HA SER 17 2.350 -24.023 6.755 151 HB2 SER 17 2HB SER 17 0.975 -24.869 4.915 152 HB3 SER 17 1HB SER 17 0.264 -25.315 6.464 153 HG SER 17 HG SER 17 -0.512 -23.271 4.664 154 H THR 18 H THR 18 0.475 -21.158 6.597 155 HA THR 18 HA THR 18 1.511 -20.316 4.000 156 HB THR 18 HB THR 18 0.188 -18.316 4.345 157 HG1 THR 18 HG1 THR 18 -0.775 -19.152 6.799 158 HG21 THR 18 3HG2 THR 18 -1.976 -19.301 4.413 159 HG22 THR 18 1HG2 THR 18 -1.429 -20.609 5.461 160 HG23 THR 18 2HG2 THR 18 -0.915 -20.559 3.778 161 H ARG 19 H ARG 19 2.582 -18.153 3.851 162 HA ARG 19 HA ARG 19 4.620 -17.889 5.990 163 HB2 ARG 19 2HB ARG 19 5.441 -18.463 3.714 164 HB3 ARG 19 1HB ARG 19 4.742 -16.962 3.110 165 HG2 ARG 19 2HG ARG 19 6.165 -15.641 4.555 166 HG3 ARG 19 1HG ARG 19 6.770 -17.091 5.354 167 HD2 ARG 19 2HD ARG 19 7.116 -16.513 2.402 168 HD3 ARG 19 1HD ARG 19 8.338 -16.177 3.624 169 HE ARG 19 HE ARG 19 7.643 -18.852 3.938 170 HH11 ARG 19 1HH2 ARG 19 8.945 -16.779 1.493 171 HH12 ARG 19 2HH2 ARG 19 9.880 -18.025 0.739 172 HH21 ARG 19 1HH1 ARG 19 8.868 -20.494 2.953 173 HH22 ARG 19 2HH1 ARG 19 9.836 -20.128 1.566 174 H LYS 20 H LYS 20 5.102 -15.888 6.844 175 HA LYS 20 HA LYS 20 3.046 -13.812 6.431 176 HB2 LYS 20 2HB LYS 20 5.037 -14.277 8.659 177 HB3 LYS 20 1HB LYS 20 3.969 -12.877 8.566 178 HG2 LYS 20 2HG LYS 20 2.007 -14.381 8.532 179 HG3 LYS 20 1HG LYS 20 3.080 -15.776 8.652 180 HD2 LYS 20 2HD LYS 20 3.910 -14.992 10.816 181 HD3 LYS 20 1HD LYS 20 2.919 -13.540 10.692 182 HE2 LYS 20 2HE LYS 20 1.652 -15.002 12.063 183 HE3 LYS 20 1HE LYS 20 0.909 -15.140 10.470 184 HZ1 LYS 20 3HZ LYS 20 1.291 -17.305 10.607 185 HZ2 LYS 20 1HZ LYS 20 2.211 -17.130 12.019 186 HZ3 LYS 20 2HZ LYS 20 2.956 -16.979 10.499 187 H ILE 21 H ILE 21 3.525 -11.825 5.682 188 HA ILE 21 HA ILE 21 6.300 -11.367 4.769 189 HB ILE 21 HB ILE 21 4.334 -11.326 3.141 190 HG12 ILE 21 2HG1 ILE 21 5.231 -9.252 2.014 191 HG13 ILE 21 1HG1 ILE 21 6.132 -8.908 3.478 192 HG21 ILE 21 1HG2 ILE 21 3.073 -9.774 5.000 193 HG22 ILE 21 2HG2 ILE 21 2.677 -9.713 3.292 194 HG23 ILE 21 3HG2 ILE 21 3.758 -8.509 3.990 195 HD11 ILE 21 3HD1 ILE 21 7.689 -10.505 3.070 196 HD12 ILE 21 1HD1 ILE 21 7.158 -10.308 1.400 197 HD13 ILE 21 2HD1 ILE 21 6.521 -11.633 2.380 198 H LYS 22 H LYS 22 7.421 -9.553 5.303 199 HA LYS 22 HA LYS 22 6.140 -7.586 7.085 200 HB2 LYS 22 2HB LYS 22 7.375 -9.417 8.384 201 HB3 LYS 22 1HB LYS 22 8.856 -8.736 7.710 202 HG2 LYS 22 2HG LYS 22 8.364 -6.566 8.694 203 HG3 LYS 22 1HG LYS 22 6.797 -7.143 9.269 204 HD2 LYS 22 2HD LYS 22 7.952 -8.831 10.669 205 HD3 LYS 22 1HD LYS 22 9.506 -8.193 10.129 206 HE2 LYS 22 2HE LYS 22 8.961 -5.998 11.080 207 HE3 LYS 22 1HE LYS 22 7.379 -6.596 11.582 208 HZ1 LYS 22 3HZ LYS 22 9.975 -7.716 12.487 209 HZ2 LYS 22 1HZ LYS 22 8.435 -8.187 13.018 210 HZ3 LYS 22 2HZ LYS 22 9.021 -6.636 13.384 211 H ILE 23 H ILE 23 6.357 -5.731 5.998 212 HA ILE 23 HA ILE 23 8.793 -5.253 4.404 213 HB ILE 23 HB ILE 23 6.279 -3.573 4.509 214 HG12 ILE 23 2HG1 ILE 23 5.814 -4.815 2.298 215 HG13 ILE 23 1HG1 ILE 23 7.011 -5.989 2.833 216 HG21 ILE 23 1HG2 ILE 23 8.453 -3.859 2.414 217 HG22 ILE 23 2HG2 ILE 23 8.359 -2.546 3.591 218 HG23 ILE 23 3HG2 ILE 23 7.096 -2.733 2.376 219 HD11 ILE 23 3HD1 ILE 23 5.600 -6.913 4.387 220 HD12 ILE 23 1HD1 ILE 23 4.341 -6.179 3.398 221 HD13 ILE 23 2HD1 ILE 23 4.909 -5.358 4.850 222 H THR 24 H THR 24 10.340 -3.972 5.168 223 HA THR 24 HA THR 24 9.813 -1.596 6.664 224 HB THR 24 HB THR 24 9.532 -2.850 8.612 225 HG1 THR 24 HG1 THR 24 11.615 -1.458 8.409 226 HG21 THR 24 3HG2 THR 24 11.650 -4.696 7.483 227 HG22 THR 24 1HG2 THR 24 9.942 -5.054 7.736 228 HG23 THR 24 2HG2 THR 24 11.012 -4.836 9.121 229 H PHE 25 H PHE 25 11.134 -0.563 5.203 230 HA PHE 25 HA PHE 25 13.997 -0.942 5.609 231 HB2 PHE 25 2HB PHE 25 13.141 -2.409 3.624 232 HB3 PHE 25 1HB PHE 25 13.012 -0.879 2.759 233 HD1 PHE 25 HD1 PHE 25 15.421 -2.700 4.985 234 HD2 PHE 25 HD2 PHE 25 14.909 -0.159 1.570 235 HE1 PHE 25 HE1 PHE 25 17.866 -2.744 4.580 236 HE2 PHE 25 HE2 PHE 25 17.346 -0.193 1.167 237 HZ PHE 25 HZ PHE 25 18.829 -1.490 2.672 238 H ALA 26 H ALA 26 15.054 0.951 5.564 239 HA ALA 26 HA ALA 26 13.670 3.390 5.529 240 HB1 ALA 26 3HB ALA 26 16.615 2.841 5.102 241 HB2 ALA 26 1HB ALA 26 15.823 3.160 6.645 242 HB3 ALA 26 2HB ALA 26 15.923 4.431 5.425 243 H LEU 27 H LEU 27 12.615 4.172 3.819 244 HA LEU 27 HA LEU 27 14.057 4.303 1.234 245 HB2 LEU 27 2HB LEU 27 11.604 2.907 1.812 246 HB3 LEU 27 1HB LEU 27 11.220 4.249 0.736 247 HG LEU 27 HG LEU 27 11.809 2.243 -0.552 248 HD11 LEU 27 1HD1 LEU 27 12.796 4.801 -0.978 249 HD12 LEU 27 2HD1 LEU 27 12.899 3.477 -2.135 250 HD13 LEU 27 3HD1 LEU 27 14.261 3.822 -1.075 251 HD21 LEU 27 3HD2 LEU 27 14.674 2.253 0.236 252 HD22 LEU 27 1HD2 LEU 27 13.595 0.891 -0.065 253 HD23 LEU 27 2HD2 LEU 27 13.578 1.700 1.501 254 H ASP 28 H ASP 28 11.030 5.558 2.623 255 HA ASP 28 HA ASP 28 12.021 8.290 2.371 256 HB2 ASP 28 2HB ASP 28 9.686 7.226 0.770 257 HB3 ASP 28 1HB ASP 28 9.962 8.941 1.060 258 H ALA 29 H ALA 29 10.469 9.860 3.266 259 HA ALA 29 HA ALA 29 9.581 9.095 5.808 260 HB1 ALA 29 3HB ALA 29 8.897 11.468 4.072 261 HB2 ALA 29 1HB ALA 29 10.044 11.402 5.409 262 HB3 ALA 29 2HB ALA 29 8.311 11.294 5.728 263 H THR 30 H THR 30 7.519 10.073 3.049 264 HA THR 30 HA THR 30 5.106 9.203 4.199 265 HB THR 30 HB THR 30 5.900 9.541 1.301 266 HG1 THR 30 HG1 THR 30 4.177 11.326 2.111 267 HG21 THR 30 3HG2 THR 30 4.004 8.121 1.238 268 HG22 THR 30 1HG2 THR 30 3.349 9.745 1.031 269 HG23 THR 30 2HG2 THR 30 3.240 8.946 2.598 270 H PHE 31 H PHE 31 6.988 7.621 1.591 271 HA PHE 31 HA PHE 31 5.611 5.313 1.278 272 HB2 PHE 31 2HB PHE 31 7.785 5.994 0.157 273 HB3 PHE 31 1HB PHE 31 8.614 5.336 1.564 274 HD1 PHE 31 HD1 PHE 31 5.898 4.368 -0.836 275 HD2 PHE 31 HD2 PHE 31 9.298 3.105 1.464 276 HE1 PHE 31 HE1 PHE 31 5.703 2.089 -1.797 277 HE2 PHE 31 HE2 PHE 31 9.103 0.826 0.504 278 HZ PHE 31 HZ PHE 31 7.305 0.318 -1.125 279 H ASP 32 H ASP 32 7.963 5.961 3.867 280 HA ASP 32 HA ASP 32 7.835 3.432 5.103 281 HB2 ASP 32 2HB ASP 32 9.586 5.093 5.595 282 HB3 ASP 32 1HB ASP 32 8.381 6.141 6.343 283 H SER 33 H SER 33 6.057 6.455 5.750 284 HA SER 33 HA SER 33 4.498 5.475 7.887 285 HB2 SER 33 2HB SER 33 4.552 7.825 7.606 286 HB3 SER 33 1HB SER 33 4.087 7.715 5.910 287 HG SER 33 HG SER 33 2.228 8.195 6.926 288 H VAL 34 H VAL 34 3.970 5.475 4.395 289 HA VAL 34 HA VAL 34 1.316 4.567 4.375 290 HB VAL 34 HB VAL 34 3.544 4.127 2.374 291 HG11 VAL 34 1HG1 VAL 34 0.565 3.611 2.239 292 HG12 VAL 34 2HG1 VAL 34 1.873 2.471 1.922 293 HG13 VAL 34 3HG1 VAL 34 1.563 3.793 0.796 294 HG21 VAL 34 3HG2 VAL 34 1.219 6.059 2.236 295 HG22 VAL 34 1HG2 VAL 34 2.693 6.057 1.269 296 HG23 VAL 34 2HG2 VAL 34 2.760 6.503 2.972 297 H LEU 35 H LEU 35 4.393 2.777 4.332 298 HA LEU 35 HA LEU 35 3.258 0.191 4.162 299 HB2 LEU 35 2HB LEU 35 5.879 1.173 5.280 300 HB3 LEU 35 1HB LEU 35 5.471 -0.537 5.134 301 HG LEU 35 HG LEU 35 5.392 1.411 2.810 302 HD11 LEU 35 1HD1 LEU 35 7.677 1.365 3.390 303 HD12 LEU 35 2HD1 LEU 35 7.537 0.115 2.155 304 HD13 LEU 35 3HD1 LEU 35 7.621 -0.335 3.856 305 HD21 LEU 35 3HD2 LEU 35 4.103 -0.411 2.115 306 HD22 LEU 35 1HD2 LEU 35 4.995 -1.562 3.112 307 HD23 LEU 35 2HD2 LEU 35 5.703 -0.952 1.617 308 H SER 36 H SER 36 4.168 2.184 6.932 309 HA SER 36 HA SER 36 3.632 0.266 8.927 310 HB2 SER 36 2HB SER 36 3.466 3.282 9.053 311 HB3 SER 36 1HB SER 36 3.461 2.209 10.450 312 HG SER 36 HG SER 36 5.495 2.433 8.474 313 H LYS 37 H LYS 37 1.561 2.662 7.352 314 HA LYS 37 HA LYS 37 -0.739 1.932 8.973 315 HB2 LYS 37 2HB LYS 37 -0.408 3.803 6.624 316 HB3 LYS 37 1HB LYS 37 -1.921 3.566 7.501 317 HG2 LYS 37 2HG LYS 37 -0.829 4.272 9.594 318 HG3 LYS 37 1HG LYS 37 0.690 4.489 8.729 319 HD2 LYS 37 2HD LYS 37 -0.237 6.672 8.807 320 HD3 LYS 37 1HD LYS 37 -0.598 6.095 7.184 321 HE2 LYS 37 2HE LYS 37 -2.619 5.654 9.378 322 HE3 LYS 37 1HE LYS 37 -2.499 7.232 8.604 323 HZ1 LYS 37 3HZ LYS 37 -2.456 5.617 6.489 324 HZ2 LYS 37 1HZ LYS 37 -3.868 6.317 7.115 325 HZ3 LYS 37 2HZ LYS 37 -3.456 4.723 7.533 326 H ALA 38 H ALA 38 0.726 0.866 6.087 327 HA ALA 38 HA ALA 38 -1.754 -0.241 4.974 328 HB1 ALA 38 3HB ALA 38 1.080 -0.361 3.944 329 HB2 ALA 38 1HB ALA 38 -0.146 0.793 3.427 330 HB3 ALA 38 2HB ALA 38 -0.348 -0.928 3.091 331 H CYS 39 H CYS 39 -0.430 -1.147 7.523 332 HA CYS 39 HA CYS 39 -0.354 -3.165 8.615 333 HB2 CYS 39 2HB CYS 39 -0.697 -4.693 6.056 334 HB3 CYS 39 1HB CYS 39 -1.291 -5.072 7.671 335 HG CYS 39 HG CYS 39 -2.568 -2.525 6.646 336 H SER 40 H SER 40 1.745 -3.180 9.247 337 HA SER 40 HA SER 40 3.959 -3.481 7.513 338 HB2 SER 40 2HB SER 40 5.243 -3.908 9.579 339 HB3 SER 40 1HB SER 40 4.199 -2.499 9.733 340 HG SER 40 HG SER 40 2.706 -3.808 10.826 341 H GLU 41 H GLU 41 1.969 -5.783 9.284 342 HA GLU 41 HA GLU 41 3.500 -7.998 8.044 343 HB2 GLU 41 2HB GLU 41 2.062 -7.908 10.697 344 HB3 GLU 41 1HB GLU 41 2.701 -9.381 9.960 345 HG2 GLU 41 2HG GLU 41 4.955 -8.442 9.948 346 HG3 GLU 41 1HG GLU 41 4.349 -6.917 10.594 347 H PHE 42 H PHE 42 2.419 -9.341 6.732 348 HA PHE 42 HA PHE 42 -0.504 -9.555 7.004 349 HB2 PHE 42 2HB PHE 42 0.376 -7.716 5.256 350 HB3 PHE 42 1HB PHE 42 0.512 -9.132 4.217 351 HD1 PHE 42 HD2 PHE 42 -1.656 -10.811 4.596 352 HD2 PHE 42 HD1 PHE 42 -1.632 -6.550 5.030 353 HE1 PHE 42 HE2 PHE 42 -4.101 -10.766 4.219 354 HE2 PHE 42 HE1 PHE 42 -4.077 -6.498 4.658 355 HZ PHE 42 HZ PHE 42 -5.316 -8.607 4.251 356 H GLU 43 H GLU 43 -1.073 -11.615 6.903 357 HA GLU 43 HA GLU 43 0.746 -13.689 6.306 358 HB2 GLU 43 2HB GLU 43 -1.394 -15.107 6.244 359 HB3 GLU 43 1HB GLU 43 -1.027 -14.261 7.746 360 HG2 GLU 43 2HG GLU 43 -2.725 -12.882 5.669 361 HG3 GLU 43 1HG GLU 43 -3.458 -14.103 6.706 362 H VAL 44 H VAL 44 1.180 -14.796 4.463 363 HA VAL 44 HA VAL 44 -0.531 -14.403 2.100 364 HB VAL 44 HB VAL 44 1.138 -12.693 1.811 365 HG11 VAL 44 1HG1 VAL 44 2.760 -13.601 3.459 366 HG12 VAL 44 2HG1 VAL 44 3.537 -13.169 1.935 367 HG13 VAL 44 3HG1 VAL 44 3.202 -14.861 2.305 368 HG21 VAL 44 3HG2 VAL 44 2.201 -14.996 0.174 369 HG22 VAL 44 1HG2 VAL 44 1.979 -13.316 -0.305 370 HG23 VAL 44 2HG2 VAL 44 0.576 -14.368 -0.106 371 H ASP 45 H ASP 45 -0.771 -16.209 0.935 372 HA ASP 45 HA ASP 45 0.123 -18.697 1.883 373 HB2 ASP 45 2HB ASP 45 -1.874 -18.286 0.397 374 HB3 ASP 45 1HB ASP 45 -0.752 -18.081 -0.947 375 H LYS 46 H LYS 46 1.421 -20.267 0.595 376 HA LYS 46 HA LYS 46 3.943 -19.005 -0.252 377 HB2 LYS 46 2HB LYS 46 3.219 -21.841 0.479 378 HB3 LYS 46 1HB LYS 46 4.803 -21.361 -0.133 379 HG2 LYS 46 2HG LYS 46 5.080 -19.791 1.729 380 HG3 LYS 46 1HG LYS 46 3.471 -20.196 2.328 381 HD2 LYS 46 2HD LYS 46 4.169 -22.532 2.665 382 HD3 LYS 46 1HD LYS 46 5.776 -22.146 2.051 383 HE2 LYS 46 2HE LYS 46 4.574 -20.678 4.403 384 HE3 LYS 46 1HE LYS 46 5.493 -22.168 4.607 385 HZ1 LYS 46 3HZ LYS 46 6.613 -19.771 4.586 386 HZ2 LYS 46 1HZ LYS 46 6.700 -20.121 2.930 387 HZ3 LYS 46 2HZ LYS 46 7.421 -21.169 4.055 388 H ASP 47 H ASP 47 1.140 -20.332 -1.625 389 HA ASP 47 HA ASP 47 2.457 -21.353 -4.023 390 HB2 ASP 47 2HB ASP 47 -0.474 -21.111 -3.304 391 HB3 ASP 47 1HB ASP 47 0.168 -21.910 -4.737 392 H VAL 48 H VAL 48 2.117 -18.369 -3.029 393 HA VAL 48 HA VAL 48 1.385 -17.322 -5.709 394 HB VAL 48 HB VAL 48 0.340 -15.415 -4.667 395 HG11 VAL 48 1HG1 VAL 48 -1.590 -16.495 -3.660 396 HG12 VAL 48 2HG1 VAL 48 -0.643 -17.941 -3.312 397 HG13 VAL 48 3HG1 VAL 48 -0.999 -17.502 -4.982 398 HG21 VAL 48 3HG2 VAL 48 1.647 -15.073 -2.691 399 HG22 VAL 48 1HG2 VAL 48 1.305 -16.699 -2.106 400 HG23 VAL 48 2HG2 VAL 48 0.031 -15.483 -2.119 401 H THR 49 H THR 49 2.496 -15.437 -6.346 402 HA THR 49 HA THR 49 5.133 -15.131 -5.063 403 HB THR 49 HB THR 49 5.841 -14.141 -7.168 404 HG1 THR 49 HG1 THR 49 3.812 -13.115 -7.603 405 HG21 THR 49 3HG2 THR 49 5.826 -16.593 -7.030 406 HG22 THR 49 1HG2 THR 49 5.441 -16.069 -8.668 407 HG23 THR 49 2HG2 THR 49 4.156 -16.627 -7.596 408 H LEU 50 H LEU 50 5.707 -12.609 -6.151 409 HA LEU 50 HA LEU 50 4.730 -10.896 -4.132 410 HB2 LEU 50 2HB LEU 50 5.933 -9.143 -5.265 411 HB3 LEU 50 1HB LEU 50 6.894 -10.612 -5.392 412 HG LEU 50 HG LEU 50 5.040 -9.562 -7.571 413 HD11 LEU 50 1HD1 LEU 50 7.146 -9.081 -8.773 414 HD12 LEU 50 2HD1 LEU 50 8.050 -9.491 -7.314 415 HD13 LEU 50 3HD1 LEU 50 6.951 -8.107 -7.318 416 HD21 LEU 50 3HD2 LEU 50 6.840 -11.976 -7.319 417 HD22 LEU 50 1HD2 LEU 50 6.470 -11.292 -8.903 418 HD23 LEU 50 2HD2 LEU 50 5.168 -11.900 -7.884 419 H ASP 51 H ASP 51 3.351 -11.921 -7.087 420 HA ASP 51 HA ASP 51 1.890 -9.656 -7.872 421 HB2 ASP 51 2HB ASP 51 0.349 -11.325 -8.943 422 HB3 ASP 51 1HB ASP 51 2.051 -11.580 -9.323 423 H GLU 52 H GLU 52 0.888 -12.385 -5.819 424 HA GLU 52 HA GLU 52 -1.642 -11.315 -5.155 425 HB2 GLU 52 2HB GLU 52 -1.204 -13.671 -4.849 426 HB3 GLU 52 1HB GLU 52 0.103 -13.325 -3.715 427 HG2 GLU 52 2HG GLU 52 -2.675 -12.288 -3.168 428 HG3 GLU 52 1HG GLU 52 -2.274 -13.957 -2.783 429 H LEU 53 H LEU 53 1.544 -11.102 -3.628 430 HA LEU 53 HA LEU 53 0.712 -9.809 -1.279 431 HB2 LEU 53 2HB LEU 53 2.962 -10.761 -1.513 432 HB3 LEU 53 1HB LEU 53 3.339 -9.591 -2.777 433 HG LEU 53 HG LEU 53 2.959 -7.749 -1.111 434 HD11 LEU 53 1HD1 LEU 53 1.547 -8.683 0.535 435 HD12 LEU 53 2HD1 LEU 53 3.108 -8.572 1.338 436 HD13 LEU 53 3HD1 LEU 53 2.549 -10.122 0.707 437 HD21 LEU 53 3HD2 LEU 53 5.216 -8.685 -1.613 438 HD22 LEU 53 1HD2 LEU 53 5.029 -9.783 -0.246 439 HD23 LEU 53 2HD2 LEU 53 5.081 -8.039 0.022 440 H LEU 54 H LEU 54 1.792 -8.522 -4.390 441 HA LEU 54 HA LEU 54 1.751 -5.810 -3.746 442 HB2 LEU 54 2HB LEU 54 2.427 -7.116 -5.965 443 HB3 LEU 54 1HB LEU 54 0.786 -6.700 -6.452 444 HG LEU 54 HG LEU 54 2.912 -4.744 -5.530 445 HD11 LEU 54 1HD1 LEU 54 3.139 -5.834 -7.838 446 HD12 LEU 54 2HD1 LEU 54 3.102 -4.072 -7.796 447 HD13 LEU 54 3HD1 LEU 54 1.662 -4.970 -8.271 448 HD21 LEU 54 3HD2 LEU 54 1.096 -3.123 -6.550 449 HD22 LEU 54 1HD2 LEU 54 0.917 -3.712 -4.898 450 HD23 LEU 54 2HD2 LEU 54 -0.011 -4.455 -6.202 451 H ASP 55 H ASP 55 -0.856 -7.924 -4.908 452 HA ASP 55 HA ASP 55 -2.842 -5.929 -5.102 453 HB2 ASP 55 2HB ASP 55 -3.007 -8.892 -4.564 454 HB3 ASP 55 1HB ASP 55 -4.430 -7.876 -4.790 455 H VAL 56 H VAL 56 -2.066 -8.149 -2.423 456 HA VAL 56 HA VAL 56 -4.030 -7.216 -0.640 457 HB VAL 56 HB VAL 56 -1.350 -8.525 -0.125 458 HG11 VAL 56 1HG1 VAL 56 -1.897 -7.451 1.919 459 HG12 VAL 56 2HG1 VAL 56 -2.492 -9.099 2.112 460 HG13 VAL 56 3HG1 VAL 56 -3.616 -7.792 1.735 461 HG21 VAL 56 3HG2 VAL 56 -2.922 -10.483 0.384 462 HG22 VAL 56 1HG2 VAL 56 -2.793 -10.020 -1.314 463 HG23 VAL 56 2HG2 VAL 56 -4.200 -9.528 -0.368 464 H VAL 57 H VAL 57 -0.665 -6.243 -1.123 465 HA VAL 57 HA VAL 57 -0.545 -4.395 1.014 466 HB VAL 57 HB VAL 57 1.002 -4.579 -1.581 467 HG11 VAL 57 1HG1 VAL 57 1.291 -2.747 0.814 468 HG12 VAL 57 2HG1 VAL 57 1.230 -2.303 -0.890 469 HG13 VAL 57 3HG1 VAL 57 2.655 -3.116 -0.241 470 HG21 VAL 57 3HG2 VAL 57 1.839 -5.227 1.251 471 HG22 VAL 57 1HG2 VAL 57 2.679 -5.631 -0.245 472 HG23 VAL 57 2HG2 VAL 57 1.152 -6.424 0.153 473 H LEU 58 H LEU 58 -1.267 -3.988 -2.447 474 HA LEU 58 HA LEU 58 -1.636 -1.200 -2.348 475 HB2 LEU 58 2HB LEU 58 -1.317 -2.430 -4.458 476 HB3 LEU 58 1HB LEU 58 -2.879 -3.217 -4.239 477 HG LEU 58 HG LEU 58 -4.010 -1.021 -4.311 478 HD11 LEU 58 1HD1 LEU 58 -2.402 0.880 -5.238 479 HD12 LEU 58 2HD1 LEU 58 -1.169 -0.041 -4.377 480 HD13 LEU 58 3HD1 LEU 58 -2.561 0.607 -3.507 481 HD21 LEU 58 3HD2 LEU 58 -3.599 -2.306 -6.409 482 HD22 LEU 58 1HD2 LEU 58 -2.108 -1.392 -6.647 483 HD23 LEU 58 2HD2 LEU 58 -3.662 -0.566 -6.679 484 H ASP 59 H ASP 59 -3.859 -3.900 -1.927 485 HA ASP 59 HA ASP 59 -6.262 -2.448 -1.814 486 HB2 ASP 59 2HB ASP 59 -6.173 -4.904 -1.990 487 HB3 ASP 59 1HB ASP 59 -5.532 -4.995 -0.350 488 H ALA 60 H ALA 60 -3.966 -3.359 0.740 489 HA ALA 60 HA ALA 60 -5.437 -2.255 2.899 490 HB1 ALA 60 3HB ALA 60 -3.285 -2.344 4.127 491 HB2 ALA 60 1HB ALA 60 -2.454 -2.699 2.612 492 HB3 ALA 60 2HB ALA 60 -3.617 -3.848 3.269 493 H VAL 61 H VAL 61 -3.048 -0.910 0.671 494 HA VAL 61 HA VAL 61 -2.637 1.549 2.006 495 HB VAL 61 HB VAL 61 -2.403 0.764 -0.903 496 HG11 VAL 61 1HG1 VAL 61 -2.750 3.116 -0.997 497 HG12 VAL 61 2HG1 VAL 61 -0.995 2.924 -1.005 498 HG13 VAL 61 3HG1 VAL 61 -1.824 3.390 0.481 499 HG21 VAL 61 3HG2 VAL 61 -0.857 -0.166 0.950 500 HG22 VAL 61 1HG2 VAL 61 -0.213 1.470 1.055 501 HG23 VAL 61 2HG2 VAL 61 -0.084 0.568 -0.454 502 H GLU 62 H GLU 62 -4.944 0.602 -0.526 503 HA GLU 62 HA GLU 62 -6.127 3.209 -0.722 504 HB2 GLU 62 2HB GLU 62 -7.208 0.517 -1.585 505 HB3 GLU 62 1HB GLU 62 -7.824 2.091 -2.091 506 HG2 GLU 62 2HG GLU 62 -4.970 1.204 -2.519 507 HG3 GLU 62 1HG GLU 62 -6.237 0.999 -3.725 508 H SER 63 H SER 63 -7.031 0.180 0.882 509 HA SER 63 HA SER 63 -9.523 1.024 1.883 510 HB2 SER 63 2HB SER 63 -9.506 -0.943 3.134 511 HB3 SER 63 1HB SER 63 -8.425 -1.332 1.796 512 HG SER 63 HG SER 63 -7.014 -0.133 3.704 513 H THR 64 H THR 64 -6.254 1.437 3.076 514 HA THR 64 HA THR 64 -7.152 2.544 5.623 515 HB THR 64 HB THR 64 -4.710 2.879 6.015 516 HG1 THR 64 HG1 THR 64 -3.365 1.805 4.422 517 HG21 THR 64 3HG2 THR 64 -5.764 0.175 5.177 518 HG22 THR 64 1HG2 THR 64 -5.642 0.838 6.805 519 HG23 THR 64 2HG2 THR 64 -4.182 0.377 5.931 520 H LEU 65 H LEU 65 -5.302 3.697 2.797 521 HA LEU 65 HA LEU 65 -5.734 6.464 3.658 522 HB2 LEU 65 2HB LEU 65 -3.467 5.680 2.897 523 HB3 LEU 65 1HB LEU 65 -4.155 5.438 1.290 524 HG LEU 65 HG LEU 65 -4.830 7.837 1.248 525 HD11 LEU 65 1HD1 LEU 65 -3.639 7.750 4.003 526 HD12 LEU 65 2HD1 LEU 65 -5.039 8.646 3.412 527 HD13 LEU 65 3HD1 LEU 65 -3.415 9.224 3.055 528 HD21 LEU 65 3HD2 LEU 65 -1.935 7.042 1.576 529 HD22 LEU 65 1HD2 LEU 65 -2.369 8.712 1.223 530 HD23 LEU 65 2HD2 LEU 65 -2.818 7.433 0.098 531 H SER 66 H SER 66 -8.045 6.337 3.222 532 HA SER 66 HA SER 66 -8.963 6.013 0.506 533 HB2 SER 66 2HB SER 66 -10.944 5.731 1.576 534 HB3 SER 66 1HB SER 66 -10.141 6.090 3.098 535 HG SER 66 HG SER 66 -10.947 8.148 1.341 536 HA PRO 67 HA PRO 67 -9.365 10.755 0.747 537 HB2 PRO 67 2HB PRO 67 -8.241 12.116 2.833 538 HB3 PRO 67 1HB PRO 67 -9.861 11.399 2.917 539 HG2 PRO 67 2HG PRO 67 -7.312 10.449 4.108 540 HG3 PRO 67 1HG PRO 67 -8.972 10.273 4.704 541 HD2 PRO 67 2HD PRO 67 -7.487 8.294 3.367 542 HD3 PRO 67 1HD PRO 67 -9.239 8.256 3.639 543 H CYS 68 H CYS 68 -8.055 11.150 -0.959 544 HA CYS 68 HA CYS 68 -5.225 11.813 -0.408 545 HB2 CYS 68 2HB CYS 68 -4.770 10.762 -2.726 546 HB3 CYS 68 1HB CYS 68 -4.981 9.678 -1.354 547 HG CYS 68 HG CYS 68 -7.021 10.073 -3.653 548 H LYS 69 H LYS 69 -7.894 11.972 -2.746 549 HA LYS 69 HA LYS 69 -6.786 14.087 -4.286 550 HB2 LYS 69 2HB LYS 69 -9.658 13.187 -3.976 551 HB3 LYS 69 1HB LYS 69 -9.065 14.300 -5.212 552 HG2 LYS 69 2HG LYS 69 -7.561 12.571 -6.086 553 HG3 LYS 69 1HG LYS 69 -8.095 11.452 -4.830 554 HD2 LYS 69 2HD LYS 69 -10.394 11.548 -5.708 555 HD3 LYS 69 1HD LYS 69 -9.878 12.686 -6.952 556 HE2 LYS 69 2HE LYS 69 -9.976 10.399 -7.860 557 HE3 LYS 69 1HE LYS 69 -8.313 10.991 -7.848 558 HZ1 LYS 69 3HZ LYS 69 -9.199 9.611 -5.450 559 HZ2 LYS 69 1HZ LYS 69 -7.712 9.535 -6.259 560 HZ3 LYS 69 2HZ LYS 69 -9.037 8.646 -6.838 561 H GLU 70 H GLU 70 -7.945 14.066 -1.163 562 HA GLU 70 HA GLU 70 -9.335 16.570 -1.117 563 HB2 GLU 70 2HB GLU 70 -9.676 14.844 0.612 564 HB3 GLU 70 1HB GLU 70 -8.004 15.043 1.137 565 HG2 GLU 70 2HG GLU 70 -8.424 17.361 1.755 566 HG3 GLU 70 1HG GLU 70 -10.064 17.271 1.111 567 H HIS 71 H HIS 71 -6.016 15.633 -1.117 568 HA HIS 71 HA HIS 71 -5.149 18.314 -0.219 569 HB2 HIS 71 2HB HIS 71 -3.573 15.767 -0.614 570 HB3 HIS 71 1HB HIS 71 -2.920 17.304 -0.045 571 HD1 HIS 71 HD1 HIS 71 -4.050 18.245 2.247 572 HD2 HIS 71 HD2 HIS 71 -4.687 14.216 1.400 573 HE1 HIS 71 HE1 HIS 71 -4.811 17.170 4.411 574 H ASP 72 H ASP 72 -5.415 19.605 -1.993 575 HA ASP 72 HA ASP 72 -4.836 18.860 -4.650 576 HB2 ASP 72 2HB ASP 72 -4.754 21.340 -5.048 577 HB3 ASP 72 1HB ASP 72 -6.211 20.792 -4.217 578 H VAL 73 H VAL 73 -2.892 20.526 -2.183 579 HA VAL 73 HA VAL 73 -0.619 20.965 -3.816 580 HB VAL 73 HB VAL 73 -0.891 20.705 -0.811 581 HG11 VAL 73 1HG1 VAL 73 1.333 22.004 -0.899 582 HG12 VAL 73 2HG1 VAL 73 1.449 21.458 -2.572 583 HG13 VAL 73 3HG1 VAL 73 1.403 20.279 -1.262 584 HG21 VAL 73 3HG2 VAL 73 -0.807 23.039 -2.744 585 HG22 VAL 73 1HG2 VAL 73 -0.594 23.224 -1.004 586 HG23 VAL 73 2HG2 VAL 73 -2.115 22.600 -1.647 587 H ILE 74 H ILE 74 -1.480 18.353 -1.566 588 HA ILE 74 HA ILE 74 0.906 16.836 -2.362 589 HB ILE 74 HB ILE 74 -1.175 15.824 -0.431 590 HG12 ILE 74 2HG1 ILE 74 0.980 17.881 0.164 591 HG13 ILE 74 1HG1 ILE 74 -0.761 18.147 0.257 592 HG21 ILE 74 1HG2 ILE 74 0.684 14.669 0.531 593 HG22 ILE 74 2HG2 ILE 74 1.845 15.670 -0.338 594 HG23 ILE 74 3HG2 ILE 74 0.866 14.494 -1.213 595 HD11 ILE 74 3HD1 ILE 74 -0.073 17.700 2.493 596 HD12 ILE 74 1HD1 ILE 74 0.931 16.341 1.989 597 HD13 ILE 74 2HD1 ILE 74 -0.826 16.210 1.924 598 H GLY 75 H GLY 75 -1.866 17.381 -3.819 599 HA2 GLY 75 2HA GLY 75 -3.155 14.941 -4.234 600 HA3 GLY 75 1HA GLY 75 -3.075 16.246 -5.413 601 H THR 76 H THR 76 0.060 15.533 -4.753 602 HA THR 76 HA THR 76 0.552 14.309 -7.261 603 HB THR 76 HB THR 76 2.879 14.028 -6.357 604 HG1 THR 76 HG1 THR 76 1.508 14.842 -4.049 605 HG21 THR 76 3HG2 THR 76 2.364 16.092 -7.462 606 HG22 THR 76 1HG2 THR 76 3.219 16.517 -5.980 607 HG23 THR 76 2HG2 THR 76 1.467 16.689 -6.066 608 H LYS 77 H LYS 77 0.056 13.070 -4.025 609 HA LYS 77 HA LYS 77 1.061 10.474 -4.330 610 HB2 LYS 77 2HB LYS 77 -0.425 9.878 -2.482 611 HB3 LYS 77 1HB LYS 77 0.375 11.420 -2.164 612 HG2 LYS 77 2HG LYS 77 -1.749 12.471 -3.276 613 HG3 LYS 77 1HG LYS 77 -2.483 10.900 -2.961 614 HD2 LYS 77 2HD LYS 77 -1.168 12.660 -0.880 615 HD3 LYS 77 1HD LYS 77 -2.907 12.493 -1.123 616 HE2 LYS 77 2HE LYS 77 -2.643 10.019 -0.717 617 HE3 LYS 77 1HE LYS 77 -0.968 10.334 -0.263 618 HZ1 LYS 77 3HZ LYS 77 -1.995 10.463 1.753 619 HZ2 LYS 77 1HZ LYS 77 -3.442 11.082 1.121 620 HZ3 LYS 77 2HZ LYS 77 -2.085 12.092 1.279 621 H VAL 78 H VAL 78 -2.048 11.887 -5.221 622 HA VAL 78 HA VAL 78 -3.408 9.522 -5.847 623 HB VAL 78 HB VAL 78 -3.655 12.264 -7.105 624 HG11 VAL 78 1HG1 VAL 78 -4.754 10.731 -8.562 625 HG12 VAL 78 2HG1 VAL 78 -6.028 11.394 -7.540 626 HG13 VAL 78 3HG1 VAL 78 -5.384 9.786 -7.213 627 HG21 VAL 78 3HG2 VAL 78 -3.969 11.977 -4.566 628 HG22 VAL 78 1HG2 VAL 78 -5.390 11.011 -4.968 629 HG23 VAL 78 2HG2 VAL 78 -5.306 12.705 -5.453 630 H CYS 79 H CYS 79 -1.329 11.613 -7.833 631 HA CYS 79 HA CYS 79 -1.641 10.207 -10.264 632 HB2 CYS 79 2HB CYS 79 0.631 11.916 -9.235 633 HB3 CYS 79 1HB CYS 79 0.525 11.310 -10.887 634 HG CYS 79 HG CYS 79 -2.031 12.740 -10.202 635 H ALA 80 H ALA 80 0.616 9.833 -7.552 636 HA ALA 80 HA ALA 80 2.354 7.960 -8.729 637 HB1 ALA 80 3HB ALA 80 1.490 8.270 -5.844 638 HB2 ALA 80 1HB ALA 80 2.885 9.028 -6.613 639 HB3 ALA 80 2HB ALA 80 2.846 7.280 -6.379 640 H LEU 81 H LEU 81 -0.486 7.376 -6.648 641 HA LEU 81 HA LEU 81 -0.459 4.556 -6.927 642 HB2 LEU 81 2HB LEU 81 -2.468 6.589 -6.018 643 HB3 LEU 81 1HB LEU 81 -3.009 4.934 -6.292 644 HG LEU 81 HG LEU 81 -2.271 5.407 -3.925 645 HD11 LEU 81 1HD1 LEU 81 -0.288 3.395 -4.902 646 HD12 LEU 81 2HD1 LEU 81 -1.967 3.116 -5.354 647 HD13 LEU 81 3HD1 LEU 81 -1.530 3.248 -3.656 648 HD21 LEU 81 3HD2 LEU 81 0.002 5.863 -3.403 649 HD22 LEU 81 1HD2 LEU 81 -0.353 6.920 -4.766 650 HD23 LEU 81 2HD2 LEU 81 0.548 5.431 -5.025 651 H LEU 82 H LEU 82 -2.080 7.113 -8.730 652 HA LEU 82 HA LEU 82 -3.681 5.443 -10.320 653 HB2 LEU 82 2HB LEU 82 -4.020 7.871 -10.189 654 HB3 LEU 82 1HB LEU 82 -2.469 8.142 -10.985 655 HG LEU 82 HG LEU 82 -3.290 6.954 -12.996 656 HD11 LEU 82 1HD1 LEU 82 -5.920 6.642 -12.963 657 HD12 LEU 82 2HD1 LEU 82 -5.679 6.508 -11.222 658 HD13 LEU 82 3HD1 LEU 82 -4.873 5.384 -12.313 659 HD21 LEU 82 3HD2 LEU 82 -4.878 8.663 -13.730 660 HD22 LEU 82 1HD2 LEU 82 -3.604 9.406 -12.766 661 HD23 LEU 82 2HD2 LEU 82 -5.194 9.122 -12.058 662 H ASP 83 H ASP 83 -0.386 6.675 -10.777 663 HA ASP 83 HA ASP 83 0.032 5.660 -13.367 664 HB2 ASP 83 2HB ASP 83 1.511 7.327 -12.311 665 HB3 ASP 83 1HB ASP 83 2.049 6.113 -11.152 666 H ARG 84 H ARG 84 0.628 4.266 -10.156 667 HA ARG 84 HA ARG 84 1.840 1.870 -11.058 668 HB2 ARG 84 2HB ARG 84 0.334 2.555 -8.530 669 HB3 ARG 84 1HB ARG 84 1.114 0.994 -8.792 670 HG2 ARG 84 2HG ARG 84 3.279 2.072 -9.085 671 HG3 ARG 84 1HG ARG 84 2.533 3.667 -8.971 672 HD2 ARG 84 2HD ARG 84 3.523 3.094 -6.819 673 HD3 ARG 84 1HD ARG 84 1.768 3.106 -6.668 674 HE ARG 84 HE ARG 84 2.703 0.488 -7.302 675 HH11 ARG 84 1HH2 ARG 84 2.490 2.841 -4.772 676 HH12 ARG 84 2HH2 ARG 84 2.482 1.668 -3.498 677 HH21 ARG 84 1HH1 ARG 84 2.693 -1.053 -5.636 678 HH22 ARG 84 2HH1 ARG 84 2.597 -0.536 -3.985 679 H LEU 85 H LEU 85 -1.517 2.761 -10.433 680 HA LEU 85 HA LEU 85 -2.647 0.195 -10.782 681 HB2 LEU 85 2HB LEU 85 -3.718 2.999 -10.977 682 HB3 LEU 85 1HB LEU 85 -4.744 1.621 -11.368 683 HG LEU 85 HG LEU 85 -3.193 1.749 -8.773 684 HD11 LEU 85 1HD1 LEU 85 -5.996 2.790 -9.286 685 HD12 LEU 85 2HD1 LEU 85 -4.583 3.774 -8.903 686 HD13 LEU 85 3HD1 LEU 85 -5.225 2.652 -7.704 687 HD21 LEU 85 3HD2 LEU 85 -4.049 -0.441 -9.090 688 HD22 LEU 85 1HD2 LEU 85 -5.541 0.147 -9.823 689 HD23 LEU 85 2HD2 LEU 85 -5.277 0.327 -8.091 690 H ALA 86 H ALA 86 -1.874 2.787 -13.035 691 HA ALA 86 HA ALA 86 -3.213 1.821 -15.292 692 HB1 ALA 86 3HB ALA 86 -1.777 3.243 -16.570 693 HB2 ALA 86 1HB ALA 86 -0.521 3.190 -15.334 694 HB3 ALA 86 2HB ALA 86 -2.028 4.053 -15.024 695 H GLY 87 H GLY 87 -0.021 1.017 -13.982 696 HA2 GLY 87 2HA GLY 87 0.199 -1.576 -14.621 697 HA3 GLY 87 1HA GLY 87 0.555 -0.821 -16.171 698 H ASP 88 H ASP 88 1.675 1.518 -14.492 699 HA ASP 88 HA ASP 88 4.407 0.592 -14.547 700 HB2 ASP 88 2HB ASP 88 3.124 3.215 -13.785 701 HB3 ASP 88 1HB ASP 88 4.862 2.939 -13.697 702 H TYR 89 H TYR 89 3.380 -1.078 -12.815 703 HA TYR 89 HA TYR 89 3.250 -0.192 -10.112 704 HB2 TYR 89 2HB TYR 89 3.478 -2.630 -9.589 705 HB3 TYR 89 1HB TYR 89 2.187 -2.270 -10.735 706 HD1 TYR 89 HD1 TYR 89 5.672 -3.519 -10.422 707 HD2 TYR 89 HD2 TYR 89 2.263 -3.063 -12.992 708 HE1 TYR 89 HE1 TYR 89 6.730 -5.020 -12.088 709 HE2 TYR 89 HE2 TYR 89 3.320 -4.563 -14.659 710 HH TYR 89 HH TYR 89 6.633 -5.608 -14.351 711 H VAL 90 H VAL 90 4.867 -1.838 -8.667 712 HA VAL 90 HA VAL 90 7.598 -0.872 -9.326 713 HB VAL 90 HB VAL 90 7.967 -1.075 -6.826 714 HG11 VAL 90 1HG1 VAL 90 5.885 0.863 -7.884 715 HG12 VAL 90 2HG1 VAL 90 7.633 1.100 -7.867 716 HG13 VAL 90 3HG1 VAL 90 6.734 1.055 -6.350 717 HG21 VAL 90 3HG2 VAL 90 4.939 -1.303 -6.874 718 HG22 VAL 90 1HG2 VAL 90 5.916 -1.036 -5.430 719 HG23 VAL 90 2HG2 VAL 90 6.061 -2.548 -6.324 720 H TYR 91 H TYR 91 9.168 -2.320 -9.545 721 HA TYR 91 HA TYR 91 8.539 -5.123 -9.543 722 HB2 TYR 91 2HB TYR 91 11.131 -3.621 -9.965 723 HB3 TYR 91 1HB TYR 91 10.968 -5.371 -10.126 724 HD1 TYR 91 HD1 TYR 91 9.783 -2.107 -11.450 725 HD2 TYR 91 HD2 TYR 91 9.959 -6.355 -12.054 726 HE1 TYR 91 HE1 TYR 91 8.930 -1.814 -13.759 727 HE2 TYR 91 HE2 TYR 91 9.102 -6.063 -14.363 728 HH TYR 91 HH TYR 91 8.485 -2.817 -15.695 729 H LEU 92 H LEU 92 9.564 -6.741 -8.280 730 HA LEU 92 HA LEU 92 10.905 -5.846 -5.824 731 HB2 LEU 92 2HB LEU 92 8.406 -6.043 -5.433 732 HB3 LEU 92 1HB LEU 92 8.585 -7.769 -5.728 733 HG LEU 92 HG LEU 92 10.249 -6.294 -3.674 734 HD11 LEU 92 1HD1 LEU 92 7.827 -6.049 -3.177 735 HD12 LEU 92 2HD1 LEU 92 8.689 -6.994 -1.967 736 HD13 LEU 92 3HD1 LEU 92 7.681 -7.806 -3.164 737 HD21 LEU 92 3HD2 LEU 92 10.087 -8.827 -2.745 738 HD22 LEU 92 1HD2 LEU 92 11.317 -8.328 -3.904 739 HD23 LEU 92 2HD2 LEU 92 9.873 -9.166 -4.464 740 H PHE 93 H PHE 93 12.677 -7.008 -5.543 741 HA PHE 93 HA PHE 93 12.645 -9.891 -6.123 742 HB2 PHE 93 2HB PHE 93 14.807 -9.696 -7.374 743 HB3 PHE 93 1HB PHE 93 13.435 -8.979 -8.219 744 HD1 PHE 93 HD1 PHE 93 16.540 -8.291 -6.365 745 HD2 PHE 93 HD2 PHE 93 13.200 -6.561 -8.428 746 HE1 PHE 93 HE1 PHE 93 17.712 -6.110 -6.416 747 HE2 PHE 93 HE2 PHE 93 14.373 -4.375 -8.487 748 HZ PHE 93 HZ PHE 93 16.629 -4.151 -7.480 749 H ASP 94 H ASP 94 14.256 -11.068 -5.034 750 HA ASP 94 HA ASP 94 15.144 -9.832 -2.574 751 HB2 ASP 94 2HB ASP 94 15.910 -12.068 -1.980 752 HB3 ASP 94 1HB ASP 94 14.268 -12.134 -2.613 753 H GLU 95 H GLU 95 17.461 -10.507 -1.845 754 HA GLU 95 HA GLU 95 19.304 -9.063 -3.418 755 HB2 GLU 95 2HB GLU 95 19.733 -11.038 -1.164 756 HB3 GLU 95 1HB GLU 95 21.011 -10.042 -1.859 757 HG2 GLU 95 2HG GLU 95 20.211 -8.860 0.069 758 HG3 GLU 95 1HG GLU 95 19.555 -8.018 -1.335 759 H GLY 96 H GLY 96 18.668 -10.327 -5.451 760 HA2 GLY 96 2HA GLY 96 20.853 -12.066 -6.134 761 HA3 GLY 96 1HA GLY 96 19.310 -12.912 -6.060 762 H GLY 97 H GLY 97 17.550 -12.099 -7.422 763 HA2 GLY 97 2HA GLY 97 17.359 -10.206 -9.273 764 HA3 GLY 97 1HA GLY 97 18.567 -11.238 -10.031 765 H ASP 98 H ASP 98 15.786 -12.215 -8.059 766 HA ASP 98 HA ASP 98 14.389 -13.256 -10.420 767 HB2 ASP 98 2HB ASP 98 15.455 -14.955 -8.164 768 HB3 ASP 98 1HB ASP 98 14.121 -15.481 -9.191 769 H GLU 99 H GLU 99 12.256 -14.246 -9.737 770 HA GLU 99 HA GLU 99 10.924 -12.373 -7.978 771 HB2 GLU 99 2HB GLU 99 9.888 -14.746 -9.548 772 HB3 GLU 99 1HB GLU 99 8.877 -13.612 -8.653 773 HG2 GLU 99 2HG GLU 99 8.815 -12.726 -10.825 774 HG3 GLU 99 1HG GLU 99 10.094 -11.777 -10.073 775 H VAL 100 H VAL 100 11.696 -12.827 -5.923 776 HA VAL 100 HA VAL 100 10.568 -15.244 -4.680 777 HB VAL 100 HB VAL 100 13.429 -14.329 -4.324 778 HG11 VAL 100 1HG1 VAL 100 11.720 -16.431 -2.977 779 HG12 VAL 100 2HG1 VAL 100 12.687 -15.163 -2.223 780 HG13 VAL 100 3HG1 VAL 100 13.481 -16.537 -2.989 781 HG21 VAL 100 3HG2 VAL 100 12.187 -16.766 -5.635 782 HG22 VAL 100 1HG2 VAL 100 13.904 -16.617 -5.262 783 HG23 VAL 100 2HG2 VAL 100 13.154 -15.520 -6.422 784 H ILE 101 H ILE 101 10.509 -15.071 -2.307 785 HA ILE 101 HA ILE 101 10.369 -12.258 -1.374 786 HB ILE 101 HB ILE 101 8.503 -14.542 -0.691 787 HG12 ILE 101 2HG1 ILE 101 6.920 -12.577 -1.733 788 HG13 ILE 101 1HG1 ILE 101 8.397 -12.259 -2.643 789 HG21 ILE 101 1HG2 ILE 101 7.265 -12.667 0.476 790 HG22 ILE 101 2HG2 ILE 101 8.718 -11.689 0.285 791 HG23 ILE 101 3HG2 ILE 101 8.770 -13.168 1.246 792 HD11 ILE 101 3HD1 ILE 101 6.924 -14.903 -2.476 793 HD12 ILE 101 1HD1 ILE 101 8.442 -14.649 -3.337 794 HD13 ILE 101 2HD1 ILE 101 6.978 -13.824 -3.870 795 H ALA 102 H ALA 102 11.492 -11.819 0.385 796 HA ALA 102 HA ALA 102 11.985 -13.861 2.393 797 HB1 ALA 102 3HB ALA 102 13.914 -13.390 0.338 798 HB2 ALA 102 1HB ALA 102 14.091 -14.417 1.757 799 HB3 ALA 102 2HB ALA 102 14.582 -12.725 1.828 800 HA PRO 103 HA PRO 103 12.127 -10.689 5.439 801 HB2 PRO 103 2HB PRO 103 15.071 -11.212 5.783 802 HB3 PRO 103 1HB PRO 103 13.803 -11.090 7.017 803 HG2 PRO 103 2HG PRO 103 14.773 -13.455 6.251 804 HG3 PRO 103 1HG PRO 103 13.058 -13.244 6.651 805 HD2 PRO 103 2HD PRO 103 14.328 -13.622 3.978 806 HD3 PRO 103 1HD PRO 103 12.684 -14.021 4.523 807 H ARG 104 H ARG 104 14.981 -10.686 3.301 808 HA ARG 104 HA ARG 104 14.937 -7.715 3.267 809 HB2 ARG 104 2HB ARG 104 17.189 -9.668 2.745 810 HB3 ARG 104 1HB ARG 104 17.296 -7.921 2.509 811 HG2 ARG 104 2HG ARG 104 16.962 -7.474 4.819 812 HG3 ARG 104 1HG ARG 104 16.428 -9.126 5.141 813 HD2 ARG 104 2HD ARG 104 18.715 -8.833 5.909 814 HD3 ARG 104 1HD ARG 104 18.680 -9.948 4.552 815 HE ARG 104 HE ARG 104 19.138 -7.291 3.635 816 HH11 ARG 104 1HH2 ARG 104 20.627 -9.933 5.311 817 HH12 ARG 104 2HH2 ARG 104 22.234 -9.515 4.823 818 HH21 ARG 104 1HH1 ARG 104 21.245 -6.739 2.996 819 HH22 ARG 104 2HH1 ARG 104 22.586 -7.708 3.514 820 H MET 105 H MET 105 13.758 -7.114 1.540 821 HA MET 105 HA MET 105 14.550 -8.158 -1.101 822 HB2 MET 105 2HB MET 105 12.104 -8.116 -1.740 823 HB3 MET 105 1HB MET 105 12.568 -9.415 -0.643 824 HG2 MET 105 2HG MET 105 11.744 -8.145 1.270 825 HG3 MET 105 1HG MET 105 11.372 -6.771 0.229 826 HE1 MET 105 3HE MET 105 9.424 -7.145 1.806 827 HE2 MET 105 1HE MET 105 7.943 -7.961 1.285 828 HE3 MET 105 2HE MET 105 8.558 -6.578 0.380 829 H TYR 106 H TYR 106 14.495 -6.670 -2.732 830 HA TYR 106 HA TYR 106 14.110 -3.868 -1.899 831 HB2 TYR 106 2HB TYR 106 16.247 -4.465 -2.971 832 HB3 TYR 106 1HB TYR 106 15.372 -5.035 -4.393 833 HD1 TYR 106 HD1 TYR 106 16.006 -2.030 -2.278 834 HD2 TYR 106 HD2 TYR 106 14.619 -3.516 -6.063 835 HE1 TYR 106 HE1 TYR 106 15.945 0.284 -3.164 836 HE2 TYR 106 HE2 TYR 106 14.571 -1.205 -6.957 837 HH TYR 106 HH TYR 106 14.814 1.539 -4.943 838 H CYS 107 H CYS 107 12.240 -2.936 -2.338 839 HA CYS 107 HA CYS 107 10.713 -3.765 -4.744 840 HB2 CYS 107 2HB CYS 107 9.722 -4.354 -2.451 841 HB3 CYS 107 1HB CYS 107 9.466 -2.620 -2.246 842 HG CYS 107 HG CYS 107 8.023 -2.706 -4.501 843 H SER 108 H SER 108 10.739 -2.232 -6.217 844 HA SER 108 HA SER 108 9.903 0.433 -5.706 845 HB2 SER 108 2HB SER 108 12.289 0.438 -4.784 846 HB3 SER 108 1HB SER 108 12.821 0.239 -6.448 847 HG SER 108 HG SER 108 12.594 2.463 -5.595 848 H PHE 109 H PHE 109 10.526 1.862 -7.736 849 HA PHE 109 HA PHE 109 9.360 0.648 -9.989 850 HB2 PHE 109 2HB PHE 109 9.392 3.092 -9.584 851 HB3 PHE 109 1HB PHE 109 11.127 3.103 -9.906 852 HD1 PHE 109 HD1 PHE 109 7.857 2.103 -11.428 853 HD2 PHE 109 HD2 PHE 109 11.921 3.312 -12.118 854 HE1 PHE 109 HE1 PHE 109 7.402 2.245 -13.861 855 HE2 PHE 109 HE2 PHE 109 11.465 3.453 -14.550 856 HZ PHE 109 HZ PHE 109 9.206 2.920 -15.423 857 H SER 110 H SER 110 12.761 1.351 -9.214 858 HA SER 110 HA SER 110 13.929 0.541 -11.614 859 HB2 SER 110 2HB SER 110 14.907 0.476 -8.765 860 HB3 SER 110 1HB SER 110 15.921 -0.063 -10.100 861 HG SER 110 HG SER 110 16.057 2.226 -9.465 862 H ALA 111 H ALA 111 14.723 -1.405 -12.374 863 HA ALA 111 HA ALA 111 13.524 -3.800 -11.144 864 HB1 ALA 111 3HB ALA 111 13.542 -2.859 -13.813 865 HB2 ALA 111 1HB ALA 111 12.932 -4.413 -13.246 866 HB3 ALA 111 2HB ALA 111 14.597 -4.270 -13.812 867 HA PRO 112 HA PRO 112 17.254 -5.890 -10.145 868 HB2 PRO 112 2HB PRO 112 16.837 -7.824 -12.402 869 HB3 PRO 112 1HB PRO 112 17.109 -8.148 -10.678 870 HG2 PRO 112 2HG PRO 112 14.689 -8.400 -11.773 871 HG3 PRO 112 1HG PRO 112 14.903 -7.779 -10.125 872 HD2 PRO 112 2HD PRO 112 14.209 -6.287 -12.627 873 HD3 PRO 112 1HD PRO 112 13.733 -5.974 -10.944 874 H ASP 113 H ASP 113 16.811 -5.594 -13.673 875 HA ASP 113 HA ASP 113 19.680 -5.483 -14.145 876 HB2 ASP 113 2HB ASP 113 18.036 -6.580 -15.717 877 HB3 ASP 113 1HB ASP 113 17.447 -4.967 -16.113 878 H ASP 114 H ASP 114 17.279 -3.318 -13.234 879 HA ASP 114 HA ASP 114 18.235 -1.003 -14.659 880 HB2 ASP 114 2HB ASP 114 15.888 -1.231 -13.836 881 HB3 ASP 114 1HB ASP 114 16.496 -1.114 -12.185 Start of MODEL 12 1 HA2 GLY 1 2HA GLY 1 17.869 -6.296 13.428 2 HA3 GLY 1 1HA GLY 1 19.422 -5.472 13.572 3 H LYS 2 H LYS 2 17.252 -7.792 15.074 4 HA LYS 2 HA LYS 2 18.897 -8.419 17.298 5 HB2 LYS 2 2HB LYS 2 16.604 -9.767 15.895 6 HB3 LYS 2 1HB LYS 2 17.499 -10.658 17.124 7 HG2 LYS 2 2HG LYS 2 16.530 -7.867 17.742 8 HG3 LYS 2 1HG LYS 2 15.395 -9.214 17.820 9 HD2 LYS 2 2HD LYS 2 16.885 -10.393 19.390 10 HD3 LYS 2 1HD LYS 2 18.035 -9.062 19.318 11 HE2 LYS 2 2HE LYS 2 16.307 -7.529 20.188 12 HE3 LYS 2 1HE LYS 2 15.176 -8.880 20.292 13 HZ1 LYS 2 3HZ LYS 2 16.197 -9.712 22.096 14 HZ2 LYS 2 1HZ LYS 2 16.762 -8.122 22.290 15 HZ3 LYS 2 2HZ LYS 2 17.754 -9.293 21.556 16 H LYS 3 H LYS 3 18.152 -10.703 14.700 17 HA LYS 3 HA LYS 3 19.462 -12.193 13.559 18 HB2 LYS 3 2HB LYS 3 20.789 -10.003 13.158 19 HB3 LYS 3 1HB LYS 3 21.897 -10.612 14.384 20 HG2 LYS 3 2HG LYS 3 22.294 -12.636 13.094 21 HG3 LYS 3 1HG LYS 3 21.092 -12.148 11.900 22 HD2 LYS 3 2HD LYS 3 22.442 -10.142 11.371 23 HD3 LYS 3 1HD LYS 3 23.656 -10.663 12.539 24 HE2 LYS 3 2HE LYS 3 24.032 -12.725 11.264 25 HE3 LYS 3 1HE LYS 3 22.776 -12.262 10.116 26 HZ1 LYS 3 3HZ LYS 3 25.463 -11.152 10.485 27 HZ2 LYS 3 1HZ LYS 3 24.233 -10.111 9.956 28 HZ3 LYS 3 2HZ LYS 3 24.621 -11.496 9.051 29 H VAL 4 H VAL 4 19.715 -11.589 16.822 30 HA VAL 4 HA VAL 4 21.720 -13.601 17.437 31 HB VAL 4 HB VAL 4 20.866 -13.120 19.832 32 HG11 VAL 4 1HG1 VAL 4 22.000 -10.830 19.781 33 HG12 VAL 4 2HG1 VAL 4 22.143 -11.049 18.037 34 HG13 VAL 4 3HG1 VAL 4 22.940 -12.174 19.136 35 HG21 VAL 4 3HG2 VAL 4 19.568 -11.087 20.105 36 HG22 VAL 4 1HG2 VAL 4 18.685 -12.157 19.019 37 HG23 VAL 4 2HG2 VAL 4 19.589 -10.787 18.371 38 H GLU 5 H GLU 5 21.302 -15.534 18.573 39 HA GLU 5 HA GLU 5 18.913 -16.882 17.712 40 HB2 GLU 5 2HB GLU 5 21.206 -17.745 19.491 41 HB3 GLU 5 1HB GLU 5 19.888 -18.807 18.992 42 HG2 GLU 5 2HG GLU 5 21.648 -19.192 17.428 43 HG3 GLU 5 1HG GLU 5 20.480 -18.179 16.583 44 H PHE 6 H PHE 6 17.030 -16.733 18.713 45 HA PHE 6 HA PHE 6 16.960 -16.683 21.671 46 HB2 PHE 6 2HB PHE 6 15.838 -14.681 19.760 47 HB3 PHE 6 1HB PHE 6 14.805 -15.124 21.118 48 HD1 PHE 6 HD1 PHE 6 18.323 -14.075 20.332 49 HD2 PHE 6 HD2 PHE 6 15.130 -14.118 23.205 50 HE1 PHE 6 HE1 PHE 6 19.658 -12.634 21.840 51 HE2 PHE 6 HE2 PHE 6 16.458 -12.666 24.703 52 HZ PHE 6 HZ PHE 6 18.725 -11.922 24.023 53 H ASN 7 H ASN 7 15.038 -17.492 22.598 54 HA ASN 7 HA ASN 7 14.065 -19.836 21.448 55 HB2 ASN 7 2HB ASN 7 13.956 -19.288 23.874 56 HB3 ASN 7 1HB ASN 7 12.685 -18.119 23.523 57 HD21 ASN 7 1HD2 ASN 7 12.151 -20.333 25.226 58 HD22 ASN 7 2HD2 ASN 7 11.081 -21.383 24.433 59 H ASP 8 H ASP 8 13.043 -19.873 19.551 60 HA ASP 8 HA ASP 8 10.778 -17.992 19.106 61 HB2 ASP 8 2HB ASP 8 12.717 -19.219 17.140 62 HB3 ASP 8 1HB ASP 8 11.218 -18.424 16.660 63 H LYS 9 H LYS 9 11.903 -21.294 19.089 64 HA LYS 9 HA LYS 9 9.595 -22.344 17.766 65 HB2 LYS 9 2HB LYS 9 10.565 -24.547 18.921 66 HB3 LYS 9 1HB LYS 9 11.389 -23.805 17.549 67 HG2 LYS 9 2HG LYS 9 12.992 -22.750 18.937 68 HG3 LYS 9 1HG LYS 9 12.034 -23.025 20.391 69 HD2 LYS 9 2HD LYS 9 12.368 -25.463 20.147 70 HD3 LYS 9 1HD LYS 9 13.346 -25.179 18.706 71 HE2 LYS 9 2HE LYS 9 14.852 -25.460 20.577 72 HE3 LYS 9 1HE LYS 9 14.875 -23.758 20.117 73 HZ1 LYS 9 3HZ LYS 9 14.245 -24.842 22.597 74 HZ2 LYS 9 1HZ LYS 9 12.805 -24.202 21.972 75 HZ3 LYS 9 2HZ LYS 9 14.174 -23.209 22.127 76 HA PRO 10 HA PRO 10 6.795 -22.562 21.179 77 HB2 PRO 10 2HB PRO 10 5.455 -24.910 20.612 78 HB3 PRO 10 1HB PRO 10 5.186 -23.388 19.737 79 HG2 PRO 10 2HG PRO 10 6.854 -25.747 18.961 80 HG3 PRO 10 1HG PRO 10 5.780 -24.748 17.963 81 HD2 PRO 10 2HD PRO 10 8.473 -24.430 17.944 82 HD3 PRO 10 1HD PRO 10 7.363 -23.067 17.706 83 H LYS 11 H LYS 11 6.463 -23.552 23.193 84 HA LYS 11 HA LYS 11 8.614 -24.846 24.374 85 HB2 LYS 11 2HB LYS 11 6.581 -23.696 25.476 86 HB3 LYS 11 1HB LYS 11 5.770 -25.251 25.303 87 HG2 LYS 11 2HG LYS 11 6.704 -25.521 27.420 88 HG3 LYS 11 1HG LYS 11 8.001 -26.185 26.430 89 HD2 LYS 11 2HD LYS 11 9.108 -23.949 26.433 90 HD3 LYS 11 1HD LYS 11 7.834 -23.348 27.491 91 HE2 LYS 11 2HE LYS 11 9.648 -25.684 28.137 92 HE3 LYS 11 1HE LYS 11 9.873 -24.041 28.741 93 HZ1 LYS 11 3HZ LYS 11 8.694 -25.285 30.373 94 HZ2 LYS 11 1HZ LYS 11 7.556 -25.827 29.238 95 HZ3 LYS 11 2HZ LYS 11 7.602 -24.187 29.678 96 H VAL 12 H VAL 12 5.540 -26.314 23.288 97 HA VAL 12 HA VAL 12 6.915 -28.713 22.462 98 HB VAL 12 HB VAL 12 6.713 -29.083 24.902 99 HG11 VAL 12 1HG1 VAL 12 4.756 -28.757 26.073 100 HG12 VAL 12 2HG1 VAL 12 3.748 -29.418 24.791 101 HG13 VAL 12 3HG1 VAL 12 4.296 -27.746 24.706 102 HG21 VAL 12 3HG2 VAL 12 4.732 -30.873 23.474 103 HG22 VAL 12 1HG2 VAL 12 5.901 -31.307 24.717 104 HG23 VAL 12 2HG2 VAL 12 6.453 -30.921 23.088 105 H ARG 13 H ARG 13 5.793 -27.579 20.600 106 HA ARG 13 HA ARG 13 3.279 -28.955 20.087 107 HB2 ARG 13 2HB ARG 13 2.474 -26.902 21.136 108 HB3 ARG 13 1HB ARG 13 3.447 -25.934 20.032 109 HG2 ARG 13 2HG ARG 13 2.171 -26.683 18.128 110 HG3 ARG 13 1HG ARG 13 1.315 -27.875 19.107 111 HD2 ARG 13 2HD ARG 13 1.190 -24.887 19.577 112 HD3 ARG 13 1HD ARG 13 -0.009 -25.789 18.653 113 HE ARG 13 HE ARG 13 0.226 -27.075 21.113 114 HH11 ARG 13 1HH2 ARG 13 -0.638 -23.963 19.872 115 HH12 ARG 13 2HH2 ARG 13 -1.746 -23.606 21.153 116 HH21 ARG 13 1HH1 ARG 13 -1.228 -26.614 22.798 117 HH22 ARG 13 2HH1 ARG 13 -2.080 -25.108 22.808 118 H LYS 14 H LYS 14 2.689 -28.936 17.849 119 HA LYS 14 HA LYS 14 4.995 -28.862 16.107 120 HB2 LYS 14 2HB LYS 14 3.438 -29.721 14.404 121 HB3 LYS 14 1HB LYS 14 3.329 -30.653 15.898 122 HG2 LYS 14 2HG LYS 14 1.361 -29.285 16.577 123 HG3 LYS 14 1HG LYS 14 1.445 -28.436 15.034 124 HD2 LYS 14 2HD LYS 14 1.105 -30.545 13.827 125 HD3 LYS 14 1HD LYS 14 1.059 -31.424 15.356 126 HE2 LYS 14 2HE LYS 14 -1.223 -30.989 14.576 127 HE3 LYS 14 1HE LYS 14 -0.908 -30.077 16.052 128 HZ1 LYS 14 3HZ LYS 14 -0.102 -28.530 13.863 129 HZ2 LYS 14 1HZ LYS 14 -1.357 -28.221 14.961 130 HZ3 LYS 14 2HZ LYS 14 -1.670 -29.103 13.543 131 H ILE 15 H ILE 15 5.416 -27.449 14.473 132 HA ILE 15 HA ILE 15 4.093 -24.888 14.639 133 HB ILE 15 HB ILE 15 5.833 -24.450 12.663 134 HG12 ILE 15 2HG1 ILE 15 7.115 -26.800 14.074 135 HG13 ILE 15 1HG1 ILE 15 6.231 -26.998 12.559 136 HG21 ILE 15 1HG2 ILE 15 7.588 -24.103 14.430 137 HG22 ILE 15 2HG2 ILE 15 6.519 -24.917 15.573 138 HG23 ILE 15 3HG2 ILE 15 6.017 -23.402 14.822 139 HD11 ILE 15 3HD1 ILE 15 7.702 -25.372 11.464 140 HD12 ILE 15 1HD1 ILE 15 8.658 -26.674 12.171 141 HD13 ILE 15 2HD1 ILE 15 8.565 -25.108 12.978 142 HA PRO 16 HA PRO 16 1.375 -25.451 11.215 143 HB2 PRO 16 2HB PRO 16 1.197 -22.882 10.240 144 HB3 PRO 16 1HB PRO 16 0.431 -23.404 11.757 145 HG2 PRO 16 2HG PRO 16 3.009 -21.941 11.348 146 HG3 PRO 16 1HG PRO 16 1.744 -21.675 12.562 147 HD2 PRO 16 2HD PRO 16 4.046 -23.015 13.122 148 HD3 PRO 16 1HD PRO 16 2.505 -23.377 13.929 149 H SER 17 H SER 17 1.250 -25.476 8.895 150 HA SER 17 HA SER 17 3.797 -25.848 7.613 151 HB2 SER 17 2HB SER 17 2.529 -26.551 5.700 152 HB3 SER 17 1HB SER 17 1.736 -27.210 7.128 153 HG SER 17 HG SER 17 0.209 -25.594 6.997 154 H THR 18 H THR 18 2.622 -23.102 8.532 155 HA THR 18 HA THR 18 3.391 -21.645 6.059 156 HB THR 18 HB THR 18 1.690 -19.962 6.555 157 HG1 THR 18 HG1 THR 18 1.244 -19.994 8.627 158 HG21 THR 18 3HG2 THR 18 -0.197 -21.206 5.812 159 HG22 THR 18 1HG2 THR 18 0.373 -22.678 6.600 160 HG23 THR 18 2HG2 THR 18 1.210 -22.059 5.176 161 H ARG 19 H ARG 19 4.129 -19.432 6.467 162 HA ARG 19 HA ARG 19 5.163 -18.986 9.207 163 HB2 ARG 19 2HB ARG 19 6.796 -18.956 6.661 164 HB3 ARG 19 1HB ARG 19 7.345 -18.287 8.197 165 HG2 ARG 19 2HG ARG 19 7.058 -20.490 9.268 166 HG3 ARG 19 1HG ARG 19 6.505 -21.165 7.737 167 HD2 ARG 19 2HD ARG 19 8.677 -20.566 6.704 168 HD3 ARG 19 1HD ARG 19 9.230 -19.944 8.257 169 HE ARG 19 HE ARG 19 8.328 -22.670 8.427 170 HH11 ARG 19 1HH2 ARG 19 10.934 -20.575 7.545 171 HH12 ARG 19 2HH2 ARG 19 12.164 -21.766 7.811 172 HH21 ARG 19 1HH1 ARG 19 9.933 -24.236 8.778 173 HH22 ARG 19 2HH1 ARG 19 11.596 -23.839 8.511 174 H LYS 20 H LYS 20 5.718 -16.784 9.641 175 HA LYS 20 HA LYS 20 4.265 -14.876 7.902 176 HB2 LYS 20 2HB LYS 20 4.951 -14.768 10.845 177 HB3 LYS 20 1HB LYS 20 4.208 -13.445 9.946 178 HG2 LYS 20 2HG LYS 20 2.307 -14.887 9.355 179 HG3 LYS 20 1HG LYS 20 3.047 -16.232 10.224 180 HD2 LYS 20 2HD LYS 20 2.973 -14.896 12.315 181 HD3 LYS 20 1HD LYS 20 2.167 -13.596 11.438 182 HE2 LYS 20 2HE LYS 20 1.099 -16.424 11.660 183 HE3 LYS 20 1HE LYS 20 0.569 -15.078 12.667 184 HZ1 LYS 20 3HZ LYS 20 0.412 -14.109 10.128 185 HZ2 LYS 20 1HZ LYS 20 -0.891 -14.659 11.063 186 HZ3 LYS 20 2HZ LYS 20 -0.129 -15.713 9.969 187 H ILE 21 H ILE 21 5.241 -13.009 7.230 188 HA ILE 21 HA ILE 21 8.088 -12.595 7.927 189 HB ILE 21 HB ILE 21 7.981 -13.746 5.754 190 HG12 ILE 21 2HG1 ILE 21 8.641 -10.818 5.387 191 HG13 ILE 21 1HG1 ILE 21 9.669 -11.943 6.273 192 HG21 ILE 21 1HG2 ILE 21 6.882 -12.691 3.851 193 HG22 ILE 21 2HG2 ILE 21 6.389 -11.331 4.853 194 HG23 ILE 21 3HG2 ILE 21 5.701 -12.929 5.139 195 HD11 ILE 21 3HD1 ILE 21 9.839 -13.367 4.266 196 HD12 ILE 21 1HD1 ILE 21 10.425 -11.734 3.944 197 HD13 ILE 21 2HD1 ILE 21 8.828 -12.228 3.379 198 H LYS 22 H LYS 22 8.708 -10.504 8.137 199 HA LYS 22 HA LYS 22 6.679 -8.402 7.582 200 HB2 LYS 22 2HB LYS 22 8.524 -8.604 9.975 201 HB3 LYS 22 1HB LYS 22 7.430 -7.264 9.624 202 HG2 LYS 22 2HG LYS 22 5.509 -8.811 9.707 203 HG3 LYS 22 1HG LYS 22 6.600 -10.143 10.084 204 HD2 LYS 22 2HD LYS 22 7.308 -8.995 12.144 205 HD3 LYS 22 1HD LYS 22 6.235 -7.645 11.767 206 HE2 LYS 22 2HE LYS 22 4.932 -8.927 13.241 207 HE3 LYS 22 1HE LYS 22 4.369 -9.481 11.666 208 HZ1 LYS 22 3HZ LYS 22 6.073 -11.276 11.841 209 HZ2 LYS 22 1HZ LYS 22 4.803 -11.391 12.958 210 HZ3 LYS 22 2HZ LYS 22 6.318 -10.810 13.457 211 H ILE 23 H ILE 23 9.397 -9.544 6.424 212 HA ILE 23 HA ILE 23 11.009 -7.112 6.438 213 HB ILE 23 HB ILE 23 11.381 -9.859 5.244 214 HG12 ILE 23 2HG1 ILE 23 13.281 -9.927 6.791 215 HG13 ILE 23 1HG1 ILE 23 12.967 -8.262 7.280 216 HG21 ILE 23 1HG2 ILE 23 12.953 -7.318 4.789 217 HG22 ILE 23 2HG2 ILE 23 12.372 -8.476 3.596 218 HG23 ILE 23 3HG2 ILE 23 13.718 -8.904 4.655 219 HD11 ILE 23 3HD1 ILE 23 10.805 -10.345 7.542 220 HD12 ILE 23 1HD1 ILE 23 11.002 -8.830 8.425 221 HD13 ILE 23 2HD1 ILE 23 12.055 -10.199 8.773 222 H THR 24 H THR 24 10.060 -5.538 5.263 223 HA THR 24 HA THR 24 9.765 -6.042 2.371 224 HB THR 24 HB THR 24 7.651 -4.818 2.307 225 HG1 THR 24 HG1 THR 24 6.753 -4.031 4.110 226 HG21 THR 24 3HG2 THR 24 7.808 -7.352 2.747 227 HG22 THR 24 1HG2 THR 24 6.273 -6.563 3.108 228 HG23 THR 24 2HG2 THR 24 7.388 -6.960 4.415 229 H PHE 25 H PHE 25 10.213 -4.286 1.077 230 HA PHE 25 HA PHE 25 11.641 -2.088 2.412 231 HB2 PHE 25 2HB PHE 25 11.525 -3.080 -0.439 232 HB3 PHE 25 1HB PHE 25 12.280 -1.546 -0.009 233 HD1 PHE 25 HD2 PHE 25 13.925 -1.683 2.091 234 HD2 PHE 25 HD1 PHE 25 12.888 -4.990 -0.452 235 HE1 PHE 25 HE2 PHE 25 15.983 -2.871 2.797 236 HE2 PHE 25 HE1 PHE 25 14.942 -6.176 0.256 237 HZ PHE 25 HZ PHE 25 16.492 -5.118 1.878 238 H ALA 26 H ALA 26 11.015 0.006 2.330 239 HA ALA 26 HA ALA 26 8.339 0.563 1.184 240 HB1 ALA 26 3HB ALA 26 9.930 1.912 3.372 241 HB2 ALA 26 1HB ALA 26 8.423 1.012 3.535 242 HB3 ALA 26 2HB ALA 26 8.435 2.567 2.704 243 H LEU 27 H LEU 27 8.049 2.117 -0.319 244 HA LEU 27 HA LEU 27 10.221 2.962 -1.913 245 HB2 LEU 27 2HB LEU 27 7.472 4.221 -1.781 246 HB3 LEU 27 1HB LEU 27 8.597 4.254 -3.139 247 HG LEU 27 HG LEU 27 7.335 1.750 -1.984 248 HD11 LEU 27 1HD1 LEU 27 6.165 1.727 -4.229 249 HD12 LEU 27 2HD1 LEU 27 6.746 3.375 -4.473 250 HD13 LEU 27 3HD1 LEU 27 5.645 3.015 -3.143 251 HD21 LEU 27 3HD2 LEU 27 9.327 2.277 -4.194 252 HD22 LEU 27 1HD2 LEU 27 8.265 0.871 -4.273 253 HD23 LEU 27 2HD2 LEU 27 9.378 1.056 -2.923 254 H ASP 28 H ASP 28 8.368 4.576 0.632 255 HA ASP 28 HA ASP 28 10.559 6.466 1.023 256 HB2 ASP 28 2HB ASP 28 7.763 7.508 0.555 257 HB3 ASP 28 1HB ASP 28 9.245 8.440 0.756 258 H ALA 29 H ALA 29 9.843 8.047 2.875 259 HA ALA 29 HA ALA 29 9.367 6.469 5.167 260 HB1 ALA 29 3HB ALA 29 10.621 8.601 5.203 261 HB2 ALA 29 1HB ALA 29 9.311 8.587 6.384 262 HB3 ALA 29 2HB ALA 29 9.125 9.471 4.870 263 H THR 30 H THR 30 7.258 8.455 3.161 264 HA THR 30 HA THR 30 5.009 8.522 4.857 265 HB THR 30 HB THR 30 5.144 8.533 1.830 266 HG1 THR 30 HG1 THR 30 5.852 10.291 3.709 267 HG21 THR 30 3HG2 THR 30 2.929 9.776 2.146 268 HG22 THR 30 1HG2 THR 30 2.934 9.147 3.794 269 HG23 THR 30 2HG2 THR 30 2.896 8.034 2.426 270 H PHE 31 H PHE 31 5.896 6.251 2.268 271 HA PHE 31 HA PHE 31 3.613 4.579 2.601 272 HB2 PHE 31 2HB PHE 31 6.306 4.068 1.323 273 HB3 PHE 31 1HB PHE 31 4.955 2.934 1.262 274 HD1 PHE 31 HD2 PHE 31 2.675 3.872 0.399 275 HD2 PHE 31 HD1 PHE 31 6.464 5.769 -0.294 276 HE1 PHE 31 HE2 PHE 31 1.702 5.123 -1.508 277 HE2 PHE 31 HE1 PHE 31 5.491 7.023 -2.198 278 HZ PHE 31 HZ PHE 31 3.111 6.699 -2.805 279 H ASP 32 H ASP 32 6.693 4.810 4.184 280 HA ASP 32 HA ASP 32 6.732 2.179 5.303 281 HB2 ASP 32 2HB ASP 32 8.764 3.545 5.098 282 HB3 ASP 32 1HB ASP 32 8.099 4.712 6.239 283 H SER 33 H SER 33 5.789 5.366 6.587 284 HA SER 33 HA SER 33 4.974 4.397 9.130 285 HB2 SER 33 2HB SER 33 4.162 6.911 7.652 286 HB3 SER 33 1HB SER 33 3.856 6.590 9.358 287 HG SER 33 HG SER 33 6.086 7.502 8.166 288 H VAL 34 H VAL 34 3.240 5.040 6.101 289 HA VAL 34 HA VAL 34 0.633 4.571 7.073 290 HB VAL 34 HB VAL 34 1.812 4.246 4.309 291 HG11 VAL 34 1HG1 VAL 34 -0.657 4.450 3.641 292 HG12 VAL 34 2HG1 VAL 34 -1.030 4.052 5.317 293 HG13 VAL 34 3HG1 VAL 34 -0.154 2.898 4.314 294 HG21 VAL 34 3HG2 VAL 34 1.698 6.541 5.522 295 HG22 VAL 34 1HG2 VAL 34 -0.047 6.405 5.312 296 HG23 VAL 34 2HG2 VAL 34 1.010 6.433 3.903 297 H LEU 35 H LEU 35 2.966 2.391 5.501 298 HA LEU 35 HA LEU 35 1.328 0.095 5.566 299 HB2 LEU 35 2HB LEU 35 4.317 0.473 5.445 300 HB3 LEU 35 1HB LEU 35 3.571 -1.122 5.392 301 HG LEU 35 HG LEU 35 2.783 1.116 3.505 302 HD11 LEU 35 1HD1 LEU 35 5.187 0.621 3.213 303 HD12 LEU 35 2HD1 LEU 35 4.251 0.043 1.833 304 HD13 LEU 35 3HD1 LEU 35 4.811 -1.097 3.056 305 HD21 LEU 35 3HD2 LEU 35 2.208 -1.845 3.719 306 HD22 LEU 35 1HD2 LEU 35 2.195 -1.072 2.136 307 HD23 LEU 35 2HD2 LEU 35 1.101 -0.516 3.390 308 H SER 36 H SER 36 3.719 1.358 7.837 309 HA SER 36 HA SER 36 3.686 -0.816 9.632 310 HB2 SER 36 2HB SER 36 4.617 0.789 11.260 311 HB3 SER 36 1HB SER 36 5.421 0.901 9.698 312 HG SER 36 HG SER 36 4.613 2.913 10.837 313 H LYS 37 H LYS 37 1.630 2.019 9.312 314 HA LYS 37 HA LYS 37 0.205 1.528 11.776 315 HB2 LYS 37 2HB LYS 37 -0.246 3.414 9.462 316 HB3 LYS 37 1HB LYS 37 -1.348 3.304 10.837 317 HG2 LYS 37 2HG LYS 37 0.496 3.830 12.378 318 HG3 LYS 37 1HG LYS 37 1.617 3.918 11.020 319 HD2 LYS 37 2HD LYS 37 0.354 5.787 10.061 320 HD3 LYS 37 1HD LYS 37 -0.834 5.673 11.361 321 HE2 LYS 37 2HE LYS 37 0.737 7.457 11.890 322 HE3 LYS 37 1HE LYS 37 0.997 6.118 13.008 323 HZ1 LYS 37 3HZ LYS 37 3.109 6.203 12.361 324 HZ2 LYS 37 1HZ LYS 37 2.764 7.218 11.047 325 HZ3 LYS 37 2HZ LYS 37 2.602 5.534 10.885 326 H ALA 38 H ALA 38 -0.234 0.814 8.366 327 HA ALA 38 HA ALA 38 -2.907 -0.283 8.824 328 HB1 ALA 38 3HB ALA 38 -1.208 0.077 6.349 329 HB2 ALA 38 1HB ALA 38 -2.677 0.950 6.791 330 HB3 ALA 38 2HB ALA 38 -2.764 -0.754 6.338 331 H CYS 39 H CYS 39 -0.692 -1.743 6.568 332 HA CYS 39 HA CYS 39 -1.281 -4.367 7.463 333 HB2 CYS 39 2HB CYS 39 -0.658 -4.070 5.178 334 HB3 CYS 39 1HB CYS 39 0.855 -3.281 5.623 335 HG CYS 39 HG CYS 39 0.293 -6.331 6.044 336 H SER 40 H SER 40 2.081 -3.707 7.013 337 HA SER 40 HA SER 40 3.898 -3.751 8.444 338 HB2 SER 40 2HB SER 40 2.202 -4.078 10.895 339 HB3 SER 40 1HB SER 40 3.649 -3.101 10.652 340 HG SER 40 HG SER 40 1.982 -2.066 9.027 341 H GLU 41 H GLU 41 1.568 -6.064 8.012 342 HA GLU 41 HA GLU 41 3.354 -8.173 9.055 343 HB2 GLU 41 2HB GLU 41 0.361 -8.070 9.528 344 HB3 GLU 41 1HB GLU 41 1.439 -9.396 9.973 345 HG2 GLU 41 2HG GLU 41 2.713 -7.867 11.438 346 HG3 GLU 41 1HG GLU 41 1.623 -6.554 11.008 347 H PHE 42 H PHE 42 3.889 -9.369 7.344 348 HA PHE 42 HA PHE 42 1.807 -9.888 5.275 349 HB2 PHE 42 2HB PHE 42 4.806 -9.639 4.996 350 HB3 PHE 42 1HB PHE 42 3.726 -10.182 3.714 351 HD1 PHE 42 HD2 PHE 42 1.770 -8.627 3.062 352 HD2 PHE 42 HD1 PHE 42 5.167 -7.336 5.352 353 HE1 PHE 42 HE2 PHE 42 1.270 -6.271 2.481 354 HE2 PHE 42 HE1 PHE 42 4.668 -4.979 4.767 355 HZ PHE 42 HZ PHE 42 2.720 -4.446 3.328 356 H GLU 43 H GLU 43 1.247 -11.938 4.988 357 HA GLU 43 HA GLU 43 2.665 -14.025 6.471 358 HB2 GLU 43 2HB GLU 43 0.732 -15.426 5.867 359 HB3 GLU 43 1HB GLU 43 0.229 -13.934 6.663 360 HG2 GLU 43 2HG GLU 43 -0.163 -12.920 4.412 361 HG3 GLU 43 1HG GLU 43 0.217 -14.478 3.681 362 H VAL 44 H VAL 44 3.661 -15.761 5.547 363 HA VAL 44 HA VAL 44 3.867 -15.813 2.583 364 HB VAL 44 HB VAL 44 5.939 -14.920 3.309 365 HG11 VAL 44 1HG1 VAL 44 5.644 -15.456 5.727 366 HG12 VAL 44 2HG1 VAL 44 7.256 -15.857 5.137 367 HG13 VAL 44 3HG1 VAL 44 6.069 -17.130 5.375 368 HG21 VAL 44 3HG2 VAL 44 6.521 -17.883 3.202 369 HG22 VAL 44 1HG2 VAL 44 7.472 -16.558 2.529 370 HG23 VAL 44 2HG2 VAL 44 5.942 -17.014 1.784 371 H ASP 45 H ASP 45 3.142 -17.632 1.794 372 HA ASP 45 HA ASP 45 3.821 -20.186 3.002 373 HB2 ASP 45 2HB ASP 45 1.495 -20.955 3.147 374 HB3 ASP 45 1HB ASP 45 1.817 -19.615 4.247 375 H LYS 46 H LYS 46 2.829 -22.009 1.660 376 HA LYS 46 HA LYS 46 3.521 -21.539 -1.088 377 HB2 LYS 46 2HB LYS 46 2.348 -23.944 0.321 378 HB3 LYS 46 1HB LYS 46 2.847 -23.926 -1.372 379 HG2 LYS 46 2HG LYS 46 5.134 -23.363 -0.732 380 HG3 LYS 46 1HG LYS 46 4.662 -23.254 0.961 381 HD2 LYS 46 2HD LYS 46 5.599 -25.423 0.768 382 HD3 LYS 46 1HD LYS 46 3.859 -25.696 0.723 383 HE2 LYS 46 2HE LYS 46 3.868 -25.981 -1.653 384 HE3 LYS 46 1HE LYS 46 5.513 -25.364 -1.793 385 HZ1 LYS 46 3HZ LYS 46 6.338 -27.351 -1.365 386 HZ2 LYS 46 1HZ LYS 46 4.772 -27.975 -1.535 387 HZ3 LYS 46 2HZ LYS 46 5.357 -27.561 0.006 388 H ASP 47 H ASP 47 0.965 -20.432 0.387 389 HA ASP 47 HA ASP 47 -1.021 -21.242 -1.667 390 HB2 ASP 47 2HB ASP 47 -1.361 -20.047 1.087 391 HB3 ASP 47 1HB ASP 47 -2.674 -20.225 -0.073 392 H VAL 48 H VAL 48 1.200 -18.892 -1.118 393 HA VAL 48 HA VAL 48 -0.317 -16.944 -2.733 394 HB VAL 48 HB VAL 48 -0.518 -16.240 -0.366 395 HG11 VAL 48 1HG1 VAL 48 2.465 -15.792 -0.368 396 HG12 VAL 48 2HG1 VAL 48 1.792 -17.312 0.189 397 HG13 VAL 48 3HG1 VAL 48 1.358 -15.812 0.999 398 HG21 VAL 48 3HG2 VAL 48 1.438 -14.421 -1.787 399 HG22 VAL 48 1HG2 VAL 48 0.077 -13.972 -0.760 400 HG23 VAL 48 2HG2 VAL 48 -0.211 -14.636 -2.370 401 H THR 49 H THR 49 1.071 -15.358 -3.769 402 HA THR 49 HA THR 49 3.898 -16.230 -4.044 403 HB THR 49 HB THR 49 3.795 -16.156 -6.377 404 HG1 THR 49 HG1 THR 49 1.186 -15.126 -6.393 405 HG21 THR 49 3HG2 THR 49 2.058 -17.685 -6.987 406 HG22 THR 49 1HG2 THR 49 1.021 -17.129 -5.673 407 HG23 THR 49 2HG2 THR 49 2.481 -18.051 -5.314 408 H LEU 50 H LEU 50 1.867 -13.658 -5.424 409 HA LEU 50 HA LEU 50 3.185 -11.603 -3.895 410 HB2 LEU 50 2HB LEU 50 4.067 -10.447 -5.980 411 HB3 LEU 50 1HB LEU 50 4.976 -11.850 -5.420 412 HG LEU 50 HG LEU 50 2.810 -12.621 -7.292 413 HD11 LEU 50 1HD1 LEU 50 5.020 -10.820 -8.320 414 HD12 LEU 50 2HD1 LEU 50 3.303 -10.418 -8.259 415 HD13 LEU 50 3HD1 LEU 50 3.868 -11.711 -9.317 416 HD21 LEU 50 3HD2 LEU 50 4.752 -14.031 -6.541 417 HD22 LEU 50 1HD2 LEU 50 5.818 -12.975 -7.462 418 HD23 LEU 50 2HD2 LEU 50 4.586 -13.931 -8.288 419 H ASP 51 H ASP 51 1.107 -12.551 -6.580 420 HA ASP 51 HA ASP 51 -0.085 -10.167 -7.283 421 HB2 ASP 51 2HB ASP 51 -0.583 -12.321 -8.375 422 HB3 ASP 51 1HB ASP 51 -1.448 -12.852 -6.935 423 H GLU 52 H GLU 52 -0.894 -12.292 -4.550 424 HA GLU 52 HA GLU 52 -3.076 -10.716 -3.623 425 HB2 GLU 52 2HB GLU 52 -2.725 -13.106 -3.023 426 HB3 GLU 52 1HB GLU 52 -1.339 -12.622 -2.048 427 HG2 GLU 52 2HG GLU 52 -2.777 -11.209 -0.656 428 HG3 GLU 52 1HG GLU 52 -4.172 -11.620 -1.654 429 H LEU 53 H LEU 53 0.374 -10.828 -2.811 430 HA LEU 53 HA LEU 53 0.288 -9.041 -0.633 431 HB2 LEU 53 2HB LEU 53 2.430 -9.863 -2.583 432 HB3 LEU 53 1HB LEU 53 2.761 -8.633 -1.372 433 HG LEU 53 HG LEU 53 1.614 -11.355 -0.687 434 HD11 LEU 53 1HD1 LEU 53 4.480 -10.421 -0.884 435 HD12 LEU 53 2HD1 LEU 53 3.747 -11.845 -1.622 436 HD13 LEU 53 3HD1 LEU 53 4.005 -11.790 0.122 437 HD21 LEU 53 3HD2 LEU 53 2.549 -8.947 0.860 438 HD22 LEU 53 1HD2 LEU 53 2.881 -10.540 1.546 439 HD23 LEU 53 2HD2 LEU 53 1.229 -10.061 1.198 440 H LEU 54 H LEU 54 0.860 -8.465 -4.083 441 HA LEU 54 HA LEU 54 1.214 -5.675 -3.799 442 HB2 LEU 54 2HB LEU 54 0.720 -7.551 -6.079 443 HB3 LEU 54 1HB LEU 54 0.459 -5.834 -6.375 444 HG LEU 54 HG LEU 54 2.750 -5.365 -5.539 445 HD11 LEU 54 1HD1 LEU 54 2.946 -8.386 -5.422 446 HD12 LEU 54 2HD1 LEU 54 2.991 -7.294 -4.040 447 HD13 LEU 54 3HD1 LEU 54 4.297 -7.276 -5.221 448 HD21 LEU 54 3HD2 LEU 54 2.722 -7.488 -7.704 449 HD22 LEU 54 1HD2 LEU 54 3.911 -6.203 -7.494 450 HD23 LEU 54 2HD2 LEU 54 2.257 -5.806 -7.962 451 H ASP 55 H ASP 55 -1.598 -7.715 -4.336 452 HA ASP 55 HA ASP 55 -3.427 -5.693 -5.024 453 HB2 ASP 55 2HB ASP 55 -3.792 -8.374 -3.679 454 HB3 ASP 55 1HB ASP 55 -5.140 -7.345 -4.157 455 H VAL 56 H VAL 56 -2.799 -7.205 -1.841 456 HA VAL 56 HA VAL 56 -4.560 -5.466 -0.439 457 HB VAL 56 HB VAL 56 -3.913 -7.691 0.410 458 HG11 VAL 56 1HG1 VAL 56 -1.526 -7.471 -0.394 459 HG12 VAL 56 2HG1 VAL 56 -1.699 -8.116 1.233 460 HG13 VAL 56 3HG1 VAL 56 -1.226 -6.434 0.994 461 HG21 VAL 56 3HG2 VAL 56 -3.747 -7.049 2.698 462 HG22 VAL 56 1HG2 VAL 56 -4.602 -5.722 1.910 463 HG23 VAL 56 2HG2 VAL 56 -2.888 -5.561 2.298 464 H VAL 57 H VAL 57 -1.090 -5.442 -1.081 465 HA VAL 57 HA VAL 57 -0.364 -3.366 0.660 466 HB VAL 57 HB VAL 57 0.750 -4.250 -2.009 467 HG11 VAL 57 1HG1 VAL 57 1.457 -1.981 -1.856 468 HG12 VAL 57 2HG1 VAL 57 2.809 -2.919 -1.220 469 HG13 VAL 57 3HG1 VAL 57 1.707 -2.098 -0.115 470 HG21 VAL 57 3HG2 VAL 57 0.826 -5.600 0.300 471 HG22 VAL 57 1HG2 VAL 57 2.160 -4.496 0.638 472 HG23 VAL 57 2HG2 VAL 57 2.225 -5.556 -0.768 473 H LEU 58 H LEU 58 -1.297 -3.207 -2.785 474 HA LEU 58 HA LEU 58 -1.217 -0.376 -2.882 475 HB2 LEU 58 2HB LEU 58 -1.011 -1.774 -4.897 476 HB3 LEU 58 1HB LEU 58 -2.677 -2.316 -4.689 477 HG LEU 58 HG LEU 58 -3.454 0.042 -4.897 478 HD11 LEU 58 1HD1 LEU 58 -1.554 1.582 -5.943 479 HD12 LEU 58 2HD1 LEU 58 -0.485 0.524 -5.025 480 HD13 LEU 58 3HD1 LEU 58 -1.736 1.449 -4.198 481 HD21 LEU 58 3HD2 LEU 58 -2.873 0.313 -7.311 482 HD22 LEU 58 1HD2 LEU 58 -3.412 -1.315 -6.903 483 HD23 LEU 58 2HD2 LEU 58 -1.695 -0.985 -7.137 484 H ASP 59 H ASP 59 -3.891 -2.691 -2.714 485 HA ASP 59 HA ASP 59 -5.994 -0.838 -2.593 486 HB2 ASP 59 2HB ASP 59 -5.735 -3.637 -1.479 487 HB3 ASP 59 1HB ASP 59 -7.236 -2.718 -1.413 488 H ALA 60 H ALA 60 -3.824 -2.035 -0.119 489 HA ALA 60 HA ALA 60 -5.289 -1.097 2.122 490 HB1 ALA 60 3HB ALA 60 -3.039 -1.318 3.290 491 HB2 ALA 60 1HB ALA 60 -2.376 -1.811 1.733 492 HB3 ALA 60 2HB ALA 60 -3.632 -2.779 2.507 493 H VAL 61 H VAL 61 -2.330 0.186 0.567 494 HA VAL 61 HA VAL 61 -2.350 2.609 2.060 495 HB VAL 61 HB VAL 61 -0.667 3.376 0.439 496 HG11 VAL 61 1HG1 VAL 61 0.930 1.469 0.737 497 HG12 VAL 61 2HG1 VAL 61 -0.416 0.474 1.293 498 HG13 VAL 61 3HG1 VAL 61 0.077 1.890 2.220 499 HG21 VAL 61 3HG2 VAL 61 -1.637 0.947 -1.052 500 HG22 VAL 61 1HG2 VAL 61 -0.053 1.639 -1.368 501 HG23 VAL 61 2HG2 VAL 61 -1.508 2.595 -1.647 502 H GLU 62 H GLU 62 -3.482 1.796 -1.199 503 HA GLU 62 HA GLU 62 -4.229 4.364 -2.003 504 HB2 GLU 62 2HB GLU 62 -4.122 2.543 -3.603 505 HB3 GLU 62 1HB GLU 62 -5.386 1.662 -2.746 506 HG2 GLU 62 2HG GLU 62 -5.918 4.450 -3.770 507 HG3 GLU 62 1HG GLU 62 -6.036 3.070 -4.859 508 H SER 63 H SER 63 -6.110 1.824 -0.354 509 HA SER 63 HA SER 63 -8.550 3.231 -0.257 510 HB2 SER 63 2HB SER 63 -9.120 1.672 1.578 511 HB3 SER 63 1HB SER 63 -8.402 0.837 0.204 512 HG SER 63 HG SER 63 -7.009 1.716 2.522 513 H THR 64 H THR 64 -5.992 2.912 2.219 514 HA THR 64 HA THR 64 -7.178 4.603 4.125 515 HB THR 64 HB THR 64 -4.207 4.257 3.673 516 HG1 THR 64 HG1 THR 64 -5.738 2.645 5.375 517 HG21 THR 64 3HG2 THR 64 -5.057 5.953 5.359 518 HG22 THR 64 1HG2 THR 64 -4.030 4.685 6.030 519 HG23 THR 64 2HG2 THR 64 -5.780 4.603 6.234 520 H LEU 65 H LEU 65 -4.809 5.317 1.562 521 HA LEU 65 HA LEU 65 -5.048 8.196 2.117 522 HB2 LEU 65 2HB LEU 65 -3.185 6.512 0.445 523 HB3 LEU 65 1HB LEU 65 -3.272 8.259 0.222 524 HG LEU 65 HG LEU 65 -2.810 8.556 2.654 525 HD11 LEU 65 1HD1 LEU 65 -3.582 6.527 3.624 526 HD12 LEU 65 2HD1 LEU 65 -1.828 6.467 3.787 527 HD13 LEU 65 3HD1 LEU 65 -2.628 5.542 2.515 528 HD21 LEU 65 3HD2 LEU 65 -0.950 8.691 1.103 529 HD22 LEU 65 1HD2 LEU 65 -0.817 6.933 1.046 530 HD23 LEU 65 2HD2 LEU 65 -0.414 7.799 2.528 531 H SER 66 H SER 66 -7.424 7.535 1.328 532 HA SER 66 HA SER 66 -7.759 7.509 -1.539 533 HB2 SER 66 2HB SER 66 -9.380 6.934 0.685 534 HB3 SER 66 1HB SER 66 -10.151 8.320 -0.077 535 HG SER 66 HG SER 66 -9.654 6.992 -2.095 536 HA PRO 67 HA PRO 67 -9.097 12.079 -0.531 537 HB2 PRO 67 2HB PRO 67 -7.386 12.661 1.842 538 HB3 PRO 67 1HB PRO 67 -9.100 13.036 1.576 539 HG2 PRO 67 2HG PRO 67 -8.327 11.123 3.285 540 HG3 PRO 67 1HG PRO 67 -9.800 10.963 2.310 541 HD2 PRO 67 2HD PRO 67 -7.106 9.701 1.874 542 HD3 PRO 67 1HD PRO 67 -8.729 9.000 1.684 543 H CYS 68 H CYS 68 -7.996 12.762 -2.310 544 HA CYS 68 HA CYS 68 -5.190 13.611 -1.933 545 HB2 CYS 68 2HB CYS 68 -5.031 11.551 -3.162 546 HB3 CYS 68 1HB CYS 68 -6.320 12.050 -4.258 547 HG CYS 68 HG CYS 68 -3.988 14.006 -4.285 548 H LYS 69 H LYS 69 -7.236 13.667 -4.802 549 HA LYS 69 HA LYS 69 -6.620 16.212 -5.629 550 HB2 LYS 69 2HB LYS 69 -7.983 14.478 -6.873 551 HB3 LYS 69 1HB LYS 69 -9.371 15.001 -5.921 552 HG2 LYS 69 2HG LYS 69 -9.192 17.261 -6.785 553 HG3 LYS 69 1HG LYS 69 -7.688 16.865 -7.617 554 HD2 LYS 69 2HD LYS 69 -8.902 15.222 -9.007 555 HD3 LYS 69 1HD LYS 69 -10.404 15.643 -8.183 556 HE2 LYS 69 2HE LYS 69 -10.211 17.960 -8.973 557 HE3 LYS 69 1HE LYS 69 -8.683 17.576 -9.763 558 HZ1 LYS 69 3HZ LYS 69 -10.454 17.492 -11.359 559 HZ2 LYS 69 1HZ LYS 69 -11.340 16.414 -10.395 560 HZ3 LYS 69 2HZ LYS 69 -9.876 15.915 -11.099 561 H GLU 70 H GLU 70 -8.284 15.359 -2.819 562 HA GLU 70 HA GLU 70 -10.031 17.619 -2.609 563 HB2 GLU 70 2HB GLU 70 -10.332 15.451 -1.373 564 HB3 GLU 70 1HB GLU 70 -8.945 15.896 -0.376 565 HG2 GLU 70 2HG GLU 70 -10.102 17.967 0.310 566 HG3 GLU 70 1HG GLU 70 -11.489 17.514 -0.678 567 H HIS 71 H HIS 71 -6.749 16.866 -1.547 568 HA HIS 71 HA HIS 71 -6.371 19.718 -0.833 569 HB2 HIS 71 2HB HIS 71 -5.351 17.330 0.715 570 HB3 HIS 71 1HB HIS 71 -4.959 19.014 1.050 571 HD1 HIS 71 HD1 HIS 71 -7.564 16.448 1.591 572 HD2 HIS 71 HD2 HIS 71 -7.251 20.590 1.946 573 HE1 HIS 71 HE1 HIS 71 -9.553 17.203 2.961 574 H ASP 72 H ASP 72 -4.517 20.642 -1.494 575 HA ASP 72 HA ASP 72 -3.040 19.433 -3.572 576 HB2 ASP 72 2HB ASP 72 -3.258 21.872 -3.317 577 HB3 ASP 72 1HB ASP 72 -2.306 21.802 -1.835 578 H VAL 73 H VAL 73 -2.302 19.940 -0.127 579 HA VAL 73 HA VAL 73 0.316 19.131 0.016 580 HB VAL 73 HB VAL 73 -0.816 19.850 2.001 581 HG11 VAL 73 1HG1 VAL 73 -2.484 17.664 2.773 582 HG12 VAL 73 2HG1 VAL 73 -2.876 17.978 1.086 583 HG13 VAL 73 3HG1 VAL 73 -3.008 19.269 2.274 584 HG21 VAL 73 3HG2 VAL 73 0.022 18.274 3.553 585 HG22 VAL 73 1HG2 VAL 73 0.990 17.967 2.112 586 HG23 VAL 73 2HG2 VAL 73 -0.361 16.914 2.513 587 H ILE 74 H ILE 74 -2.527 17.155 -0.556 588 HA ILE 74 HA ILE 74 -0.827 14.715 -0.722 589 HB ILE 74 HB ILE 74 -3.842 14.886 -0.513 590 HG12 ILE 74 2HG1 ILE 74 -2.787 15.708 1.545 591 HG13 ILE 74 1HG1 ILE 74 -3.486 14.121 1.826 592 HG21 ILE 74 1HG2 ILE 74 -1.830 12.622 -0.363 593 HG22 ILE 74 2HG2 ILE 74 -3.081 12.835 -1.581 594 HG23 ILE 74 3HG2 ILE 74 -3.524 12.448 0.080 595 HD11 ILE 74 3HD1 ILE 74 -0.581 14.878 1.543 596 HD12 ILE 74 1HD1 ILE 74 -1.092 13.223 1.241 597 HD13 ILE 74 2HD1 ILE 74 -1.354 13.952 2.818 598 H GLY 75 H GLY 75 -2.544 17.061 -2.505 599 HA2 GLY 75 2HA GLY 75 -3.541 15.753 -4.706 600 HA3 GLY 75 1HA GLY 75 -2.730 17.307 -4.801 601 H THR 76 H THR 76 -2.324 16.069 -7.001 602 HA THR 76 HA THR 76 -0.719 15.276 -8.430 603 HB THR 76 HB THR 76 1.224 15.225 -6.121 604 HG1 THR 76 HG1 THR 76 -0.167 17.311 -7.136 605 HG21 THR 76 3HG2 THR 76 2.854 15.632 -7.826 606 HG22 THR 76 1HG2 THR 76 1.604 15.951 -9.028 607 HG23 THR 76 2HG2 THR 76 1.828 14.318 -8.399 608 H LYS 77 H LYS 77 -1.071 13.719 -5.307 609 HA LYS 77 HA LYS 77 0.164 11.295 -5.924 610 HB2 LYS 77 2HB LYS 77 -0.339 11.863 -3.625 611 HB3 LYS 77 1HB LYS 77 -2.059 11.930 -3.977 612 HG2 LYS 77 2HG LYS 77 -1.396 9.810 -2.872 613 HG3 LYS 77 1HG LYS 77 -2.096 9.536 -4.464 614 HD2 LYS 77 2HD LYS 77 0.001 9.074 -5.450 615 HD3 LYS 77 1HD LYS 77 0.892 9.822 -4.123 616 HE2 LYS 77 2HE LYS 77 0.289 8.018 -2.638 617 HE3 LYS 77 1HE LYS 77 -0.794 7.327 -3.848 618 HZ1 LYS 77 3HZ LYS 77 1.076 6.918 -5.280 619 HZ2 LYS 77 1HZ LYS 77 1.365 6.206 -3.769 620 HZ3 LYS 77 2HZ LYS 77 2.136 7.662 -4.182 621 H VAL 78 H VAL 78 -3.125 12.463 -6.385 622 HA VAL 78 HA VAL 78 -4.336 10.045 -7.142 623 HB VAL 78 HB VAL 78 -5.658 12.031 -6.660 624 HG11 VAL 78 1HG1 VAL 78 -3.891 13.589 -7.707 625 HG12 VAL 78 2HG1 VAL 78 -5.579 14.015 -7.971 626 HG13 VAL 78 3HG1 VAL 78 -4.661 13.228 -9.251 627 HG21 VAL 78 3HG2 VAL 78 -6.474 10.290 -8.315 628 HG22 VAL 78 1HG2 VAL 78 -5.974 11.395 -9.598 629 HG23 VAL 78 2HG2 VAL 78 -7.230 11.878 -8.456 630 H CYS 79 H CYS 79 -2.685 12.532 -9.083 631 HA CYS 79 HA CYS 79 -3.106 11.302 -11.600 632 HB2 CYS 79 2HB CYS 79 -0.922 13.180 -10.671 633 HB3 CYS 79 1HB CYS 79 -1.227 12.748 -12.354 634 HG CYS 79 HG CYS 79 -2.940 14.652 -10.653 635 H ALA 80 H ALA 80 -0.354 11.200 -9.335 636 HA ALA 80 HA ALA 80 1.297 9.505 -10.863 637 HB1 ALA 80 3HB ALA 80 1.100 9.771 -7.852 638 HB2 ALA 80 1HB ALA 80 2.113 10.752 -8.909 639 HB3 ALA 80 2HB ALA 80 2.438 9.028 -8.730 640 H LEU 81 H LEU 81 -0.933 8.704 -8.197 641 HA LEU 81 HA LEU 81 -0.621 5.978 -8.167 642 HB2 LEU 81 2HB LEU 81 -1.988 7.149 -6.509 643 HB3 LEU 81 1HB LEU 81 -3.173 7.565 -7.745 644 HG LEU 81 HG LEU 81 -3.671 5.178 -8.100 645 HD11 LEU 81 1HD1 LEU 81 -1.708 3.982 -7.694 646 HD12 LEU 81 2HD1 LEU 81 -2.622 3.628 -6.231 647 HD13 LEU 81 3HD1 LEU 81 -1.352 4.852 -6.203 648 HD21 LEU 81 3HD2 LEU 81 -4.795 6.526 -6.263 649 HD22 LEU 81 1HD2 LEU 81 -3.688 5.747 -5.131 650 HD23 LEU 81 2HD2 LEU 81 -4.834 4.775 -6.053 651 H LEU 82 H LEU 82 -2.668 7.959 -10.282 652 HA LEU 82 HA LEU 82 -3.998 5.837 -11.563 653 HB2 LEU 82 2HB LEU 82 -4.697 8.200 -11.758 654 HB3 LEU 82 1HB LEU 82 -3.233 8.553 -12.674 655 HG LEU 82 HG LEU 82 -3.947 6.924 -14.416 656 HD11 LEU 82 1HD1 LEU 82 -6.204 6.534 -12.459 657 HD12 LEU 82 2HD1 LEU 82 -5.308 5.331 -13.383 658 HD13 LEU 82 3HD1 LEU 82 -6.517 6.327 -14.184 659 HD21 LEU 82 3HD2 LEU 82 -5.948 8.246 -15.209 660 HD22 LEU 82 1HD2 LEU 82 -4.534 9.218 -14.801 661 HD23 LEU 82 2HD2 LEU 82 -5.892 9.121 -13.678 662 H ASP 83 H ASP 83 -1.030 7.602 -12.441 663 HA ASP 83 HA ASP 83 -0.479 6.121 -14.798 664 HB2 ASP 83 2HB ASP 83 1.276 7.739 -12.948 665 HB3 ASP 83 1HB ASP 83 1.882 6.981 -14.419 666 H ARG 84 H ARG 84 0.495 5.708 -11.423 667 HA ARG 84 HA ARG 84 2.289 3.571 -11.838 668 HB2 ARG 84 2HB ARG 84 0.829 4.751 -9.518 669 HB3 ARG 84 1HB ARG 84 1.407 3.100 -9.300 670 HG2 ARG 84 2HG ARG 84 3.100 4.666 -8.533 671 HG3 ARG 84 1HG ARG 84 3.683 3.848 -9.984 672 HD2 ARG 84 2HD ARG 84 2.907 5.817 -11.326 673 HD3 ARG 84 1HD ARG 84 2.490 6.617 -9.816 674 HE ARG 84 HE ARG 84 5.171 5.775 -9.692 675 HH11 ARG 84 1HH2 ARG 84 3.080 8.015 -11.308 676 HH12 ARG 84 2HH2 ARG 84 4.316 9.204 -11.553 677 HH21 ARG 84 1HH1 ARG 84 6.796 7.329 -10.014 678 HH22 ARG 84 2HH1 ARG 84 6.418 8.815 -10.820 679 H LEU 85 H LEU 85 -1.180 3.674 -11.235 680 HA LEU 85 HA LEU 85 -1.444 0.821 -11.123 681 HB2 LEU 85 2HB LEU 85 -3.010 2.307 -9.972 682 HB3 LEU 85 1HB LEU 85 -3.525 2.981 -11.516 683 HG LEU 85 HG LEU 85 -3.648 -0.001 -11.414 684 HD11 LEU 85 1HD1 LEU 85 -5.373 1.696 -9.598 685 HD12 LEU 85 2HD1 LEU 85 -4.338 0.340 -9.144 686 HD13 LEU 85 3HD1 LEU 85 -5.798 0.056 -10.094 687 HD21 LEU 85 3HD2 LEU 85 -5.742 0.375 -12.568 688 HD22 LEU 85 1HD2 LEU 85 -4.561 1.500 -13.240 689 HD23 LEU 85 2HD2 LEU 85 -5.762 2.070 -12.084 690 H ALA 86 H ALA 86 -1.262 3.172 -13.620 691 HA ALA 86 HA ALA 86 -2.789 1.976 -15.643 692 HB1 ALA 86 3HB ALA 86 -1.529 3.317 -17.180 693 HB2 ALA 86 1HB ALA 86 -0.180 3.445 -16.054 694 HB3 ALA 86 2HB ALA 86 -1.704 4.259 -15.700 695 H GLY 87 H GLY 87 0.496 1.338 -14.542 696 HA2 GLY 87 2HA GLY 87 0.681 -1.305 -15.126 697 HA3 GLY 87 1HA GLY 87 1.059 -0.541 -16.667 698 H ASP 88 H ASP 88 1.854 0.828 -13.525 699 HA ASP 88 HA ASP 88 4.657 0.009 -13.742 700 HB2 ASP 88 2HB ASP 88 3.695 2.861 -13.976 701 HB3 ASP 88 1HB ASP 88 5.321 2.469 -13.422 702 H TYR 89 H TYR 89 3.883 -1.128 -11.812 703 HA TYR 89 HA TYR 89 3.677 0.632 -9.426 704 HB2 TYR 89 2HB TYR 89 2.795 -1.541 -8.356 705 HB3 TYR 89 1HB TYR 89 1.738 -0.709 -9.496 706 HD1 TYR 89 HD2 TYR 89 1.933 -1.425 -12.012 707 HD2 TYR 89 HD1 TYR 89 3.270 -3.843 -8.713 708 HE1 TYR 89 HE2 TYR 89 1.859 -3.439 -13.444 709 HE2 TYR 89 HE1 TYR 89 3.199 -5.844 -10.152 710 HH TYR 89 HH TYR 89 2.629 -5.620 -13.596 711 H VAL 90 H VAL 90 4.248 -2.545 -8.634 712 HA VAL 90 HA VAL 90 7.171 -2.182 -8.442 713 HB VAL 90 HB VAL 90 7.067 -3.207 -6.194 714 HG11 VAL 90 1HG1 VAL 90 6.060 -1.214 -5.053 715 HG12 VAL 90 2HG1 VAL 90 5.427 -0.693 -6.615 716 HG13 VAL 90 3HG1 VAL 90 7.169 -0.785 -6.355 717 HG21 VAL 90 3HG2 VAL 90 4.823 -3.256 -5.069 718 HG22 VAL 90 1HG2 VAL 90 4.973 -4.428 -6.378 719 HG23 VAL 90 2HG2 VAL 90 4.078 -2.929 -6.636 720 H TYR 91 H TYR 91 8.357 -4.165 -8.199 721 HA TYR 91 HA TYR 91 6.919 -6.562 -9.210 722 HB2 TYR 91 2HB TYR 91 9.698 -5.650 -9.994 723 HB3 TYR 91 1HB TYR 91 8.865 -7.094 -10.570 724 HD1 TYR 91 HD2 TYR 91 6.349 -6.573 -11.459 725 HD2 TYR 91 HD1 TYR 91 9.625 -3.792 -11.414 726 HE1 TYR 91 HE2 TYR 91 5.247 -5.244 -13.233 727 HE2 TYR 91 HE1 TYR 91 8.519 -2.461 -13.186 728 HH TYR 91 HH TYR 91 6.468 -2.113 -14.211 729 H LEU 92 H LEU 92 7.887 -8.578 -8.668 730 HA LEU 92 HA LEU 92 9.779 -8.492 -6.409 731 HB2 LEU 92 2HB LEU 92 7.400 -8.650 -5.603 732 HB3 LEU 92 1HB LEU 92 7.288 -10.201 -6.433 733 HG LEU 92 HG LEU 92 9.683 -9.919 -4.646 734 HD11 LEU 92 1HD1 LEU 92 6.907 -10.170 -3.474 735 HD12 LEU 92 2HD1 LEU 92 7.950 -8.756 -3.329 736 HD13 LEU 92 3HD1 LEU 92 8.433 -10.287 -2.595 737 HD21 LEU 92 3HD2 LEU 92 9.062 -12.019 -5.831 738 HD22 LEU 92 1HD2 LEU 92 7.544 -12.053 -4.936 739 HD23 LEU 92 2HD2 LEU 92 9.078 -12.226 -4.084 740 H PHE 93 H PHE 93 11.424 -9.825 -6.721 741 HA PHE 93 HA PHE 93 10.992 -12.300 -8.304 742 HB2 PHE 93 2HB PHE 93 13.329 -10.404 -8.620 743 HB3 PHE 93 1HB PHE 93 13.100 -11.932 -9.470 744 HD1 PHE 93 HD2 PHE 93 10.857 -12.204 -10.790 745 HD2 PHE 93 HD1 PHE 93 12.492 -8.424 -9.574 746 HE1 PHE 93 HE2 PHE 93 9.487 -11.055 -12.510 747 HE2 PHE 93 HE1 PHE 93 11.124 -7.275 -11.291 748 HZ PHE 93 HZ PHE 93 9.621 -8.591 -12.759 749 H ASP 94 H ASP 94 12.440 -14.001 -7.835 750 HA ASP 94 HA ASP 94 13.440 -13.940 -5.087 751 HB2 ASP 94 2HB ASP 94 13.702 -16.345 -5.352 752 HB3 ASP 94 1HB ASP 94 12.094 -15.851 -5.875 753 H GLU 95 H GLU 95 15.491 -15.723 -5.156 754 HA GLU 95 HA GLU 95 17.672 -14.082 -6.018 755 HB2 GLU 95 2HB GLU 95 17.794 -16.958 -5.082 756 HB3 GLU 95 1HB GLU 95 19.089 -15.761 -5.050 757 HG2 GLU 95 2HG GLU 95 18.321 -15.660 -2.841 758 HG3 GLU 95 1HG GLU 95 17.406 -14.354 -3.590 759 H GLY 96 H GLY 96 16.741 -14.150 -8.322 760 HA2 GLY 96 2HA GLY 96 18.509 -15.381 -10.044 761 HA3 GLY 96 1HA GLY 96 17.164 -16.506 -9.892 762 H GLY 97 H GLY 97 14.941 -15.179 -9.947 763 HA2 GLY 97 2HA GLY 97 14.442 -12.888 -11.289 764 HA3 GLY 97 1HA GLY 97 14.858 -13.997 -12.596 765 H ASP 98 H ASP 98 13.711 -16.205 -10.765 766 HA ASP 98 HA ASP 98 11.127 -16.286 -11.969 767 HB2 ASP 98 2HB ASP 98 12.437 -17.936 -9.806 768 HB3 ASP 98 1HB ASP 98 10.810 -18.260 -10.405 769 H GLU 99 H GLU 99 9.136 -15.822 -11.145 770 HA GLU 99 HA GLU 99 9.042 -14.051 -8.852 771 HB2 GLU 99 2HB GLU 99 6.912 -15.070 -10.741 772 HB3 GLU 99 1HB GLU 99 6.606 -13.932 -9.430 773 HG2 GLU 99 2HG GLU 99 8.169 -12.332 -10.386 774 HG3 GLU 99 1HG GLU 99 8.615 -13.478 -11.649 775 H VAL 100 H VAL 100 9.546 -15.368 -7.082 776 HA VAL 100 HA VAL 100 7.293 -16.894 -6.054 777 HB VAL 100 HB VAL 100 8.551 -18.583 -7.350 778 HG11 VAL 100 1HG1 VAL 100 10.821 -19.131 -6.827 779 HG12 VAL 100 2HG1 VAL 100 10.823 -18.062 -5.425 780 HG13 VAL 100 3HG1 VAL 100 10.770 -17.383 -7.051 781 HG21 VAL 100 3HG2 VAL 100 8.728 -20.211 -5.562 782 HG22 VAL 100 1HG2 VAL 100 7.381 -19.133 -5.189 783 HG23 VAL 100 2HG2 VAL 100 8.928 -18.934 -4.363 784 H ILE 101 H ILE 101 7.159 -16.730 -3.879 785 HA ILE 101 HA ILE 101 8.859 -14.941 -2.491 786 HB ILE 101 HB ILE 101 6.957 -16.978 -1.310 787 HG12 ILE 101 2HG1 ILE 101 6.396 -14.118 -2.152 788 HG13 ILE 101 1HG1 ILE 101 5.930 -15.532 -3.098 789 HG21 ILE 101 1HG2 ILE 101 8.042 -14.325 -0.316 790 HG22 ILE 101 2HG2 ILE 101 8.431 -15.918 0.330 791 HG23 ILE 101 3HG2 ILE 101 6.801 -15.272 0.503 792 HD11 ILE 101 3HD1 ILE 101 5.050 -14.930 -0.261 793 HD12 ILE 101 1HD1 ILE 101 4.611 -16.369 -1.179 794 HD13 ILE 101 2HD1 ILE 101 4.050 -14.784 -1.705 795 H ALA 102 H ALA 102 10.664 -15.267 -1.342 796 HA ALA 102 HA ALA 102 11.337 -17.942 -0.399 797 HB1 ALA 102 3HB ALA 102 12.933 -18.387 -1.966 798 HB2 ALA 102 1HB ALA 102 13.694 -16.815 -1.707 799 HB3 ALA 102 2HB ALA 102 12.367 -16.975 -2.849 800 HA PRO 103 HA PRO 103 13.424 -16.142 3.021 801 HB2 PRO 103 2HB PRO 103 16.094 -16.976 1.928 802 HB3 PRO 103 1HB PRO 103 15.393 -17.274 3.529 803 HG2 PRO 103 2HG PRO 103 15.500 -19.200 1.694 804 HG3 PRO 103 1HG PRO 103 14.109 -19.044 2.782 805 HD2 PRO 103 2HD PRO 103 14.334 -18.356 -0.110 806 HD3 PRO 103 1HD PRO 103 12.933 -18.943 0.811 807 H ARG 104 H ARG 104 15.169 -15.567 -0.035 808 HA ARG 104 HA ARG 104 15.669 -12.759 0.829 809 HB2 ARG 104 2HB ARG 104 17.274 -14.339 -1.184 810 HB3 ARG 104 1HB ARG 104 17.644 -12.750 -0.525 811 HG2 ARG 104 2HG ARG 104 18.843 -13.787 1.125 812 HG3 ARG 104 1HG ARG 104 17.323 -14.401 1.769 813 HD2 ARG 104 2HD ARG 104 17.510 -16.340 0.189 814 HD3 ARG 104 1HD ARG 104 19.103 -15.752 -0.271 815 HE ARG 104 HE ARG 104 19.081 -15.955 2.511 816 HH11 ARG 104 1HH2 ARG 104 18.733 -17.969 -0.280 817 HH12 ARG 104 2HH2 ARG 104 19.394 -19.375 0.483 818 HH21 ARG 104 1HH1 ARG 104 19.947 -17.792 3.517 819 HH22 ARG 104 2HH1 ARG 104 20.081 -19.276 2.635 820 H MET 105 H MET 105 13.704 -12.020 0.001 821 HA MET 105 HA MET 105 13.288 -12.318 -2.916 822 HB2 MET 105 2HB MET 105 11.028 -11.429 -2.445 823 HB3 MET 105 1HB MET 105 11.366 -12.893 -1.521 824 HG2 MET 105 2HG MET 105 11.952 -11.520 0.445 825 HG3 MET 105 1HG MET 105 11.612 -10.054 -0.474 826 HE1 MET 105 3HE MET 105 10.269 -10.069 2.063 827 HE2 MET 105 1HE MET 105 8.558 -9.809 1.696 828 HE3 MET 105 2HE MET 105 9.799 -8.953 0.782 829 H TYR 106 H TYR 106 13.123 -10.547 -4.249 830 HA TYR 106 HA TYR 106 14.066 -7.965 -3.110 831 HB2 TYR 106 2HB TYR 106 15.671 -8.944 -4.664 832 HB3 TYR 106 1HB TYR 106 14.413 -9.114 -5.891 833 HD1 TYR 106 HD1 TYR 106 15.867 -6.488 -3.626 834 HD2 TYR 106 HD2 TYR 106 14.199 -7.405 -7.480 835 HE1 TYR 106 HE1 TYR 106 16.284 -4.158 -4.363 836 HE2 TYR 106 HE2 TYR 106 14.616 -5.075 -8.213 837 HH TYR 106 HH TYR 106 15.351 -2.580 -6.076 838 H CYS 107 H CYS 107 12.383 -6.657 -2.852 839 HA CYS 107 HA CYS 107 10.273 -6.587 -4.939 840 HB2 CYS 107 2HB CYS 107 8.803 -5.683 -3.241 841 HB3 CYS 107 1HB CYS 107 9.517 -7.182 -2.655 842 HG CYS 107 HG CYS 107 9.921 -4.452 -1.405 843 H SER 108 H SER 108 10.576 -4.989 -6.320 844 HA SER 108 HA SER 108 10.748 -2.272 -5.442 845 HB2 SER 108 2HB SER 108 12.931 -1.684 -6.021 846 HB3 SER 108 1HB SER 108 13.162 -3.263 -5.276 847 HG SER 108 HG SER 108 12.563 -3.583 -7.858 848 H PHE 109 H PHE 109 10.889 -0.753 -7.310 849 HA PHE 109 HA PHE 109 9.182 -1.649 -9.427 850 HB2 PHE 109 2HB PHE 109 9.375 0.630 -10.272 851 HB3 PHE 109 1HB PHE 109 9.100 0.656 -8.530 852 HD1 PHE 109 HD1 PHE 109 11.555 1.215 -11.216 853 HD2 PHE 109 HD2 PHE 109 10.882 1.272 -6.974 854 HE1 PHE 109 HE1 PHE 109 13.662 2.484 -10.899 855 HE2 PHE 109 HE2 PHE 109 12.989 2.539 -6.655 856 HZ PHE 109 HZ PHE 109 14.380 3.146 -8.618 857 H SER 110 H SER 110 12.612 -1.300 -9.011 858 HA SER 110 HA SER 110 13.286 -1.298 -11.797 859 HB2 SER 110 2HB SER 110 15.583 -1.871 -10.923 860 HB3 SER 110 1HB SER 110 14.884 -0.399 -10.253 861 HG SER 110 HG SER 110 15.140 -1.320 -8.389 862 H ALA 111 H ALA 111 14.289 -3.015 -12.968 863 HA ALA 111 HA ALA 111 13.113 -5.596 -12.321 864 HB1 ALA 111 3HB ALA 111 12.963 -5.815 -14.576 865 HB2 ALA 111 1HB ALA 111 14.711 -5.620 -14.758 866 HB3 ALA 111 2HB ALA 111 13.664 -4.206 -14.723 867 HA PRO 112 HA PRO 112 16.632 -7.878 -11.002 868 HB2 PRO 112 2HB PRO 112 16.678 -9.389 -13.600 869 HB3 PRO 112 1HB PRO 112 16.631 -10.010 -11.936 870 HG2 PRO 112 2HG PRO 112 14.458 -10.029 -13.480 871 HG3 PRO 112 1HG PRO 112 14.353 -9.697 -11.741 872 HD2 PRO 112 2HD PRO 112 14.118 -7.800 -14.042 873 HD3 PRO 112 1HD PRO 112 13.325 -7.772 -12.452 874 H ASP 113 H ASP 113 16.800 -6.778 -14.364 875 HA ASP 113 HA ASP 113 19.687 -6.827 -14.459 876 HB2 ASP 113 2HB ASP 113 19.378 -5.697 -16.642 877 HB3 ASP 113 1HB ASP 113 18.414 -7.167 -16.508 878 H ASP 114 H ASP 114 17.960 -5.094 -12.526 879 HA ASP 114 HA ASP 114 18.106 -2.419 -12.913 880 HB2 ASP 114 2HB ASP 114 18.521 -2.154 -10.502 881 HB3 ASP 114 1HB ASP 114 17.338 -3.419 -10.809 Start of MODEL 13 1 HA2 GLY 1 2HA GLY 1 12.272 -10.343 25.816 2 HA3 GLY 1 1HA GLY 1 13.472 -9.265 26.530 3 H LYS 2 H LYS 2 13.736 -12.117 24.403 4 HA LYS 2 HA LYS 2 15.419 -10.518 22.549 5 HB2 LYS 2 2HB LYS 2 15.501 -13.341 23.480 6 HB3 LYS 2 1HB LYS 2 15.915 -13.062 21.787 7 HG2 LYS 2 2HG LYS 2 17.575 -11.371 22.473 8 HG3 LYS 2 1HG LYS 2 17.172 -11.671 24.166 9 HD2 LYS 2 2HD LYS 2 17.984 -13.902 24.070 10 HD3 LYS 2 1HD LYS 2 18.072 -13.868 22.308 11 HE2 LYS 2 2HE LYS 2 19.786 -12.094 22.443 12 HE3 LYS 2 1HE LYS 2 19.743 -12.203 24.204 13 HZ1 LYS 2 3HZ LYS 2 21.310 -13.692 22.522 14 HZ2 LYS 2 1HZ LYS 2 20.073 -14.760 22.976 15 HZ3 LYS 2 2HZ LYS 2 21.024 -14.007 24.167 16 H LYS 3 H LYS 3 14.512 -9.964 20.700 17 HA LYS 3 HA LYS 3 12.236 -11.553 19.648 18 HB2 LYS 3 2HB LYS 3 13.015 -8.676 19.163 19 HB3 LYS 3 1HB LYS 3 11.659 -9.498 18.394 20 HG2 LYS 3 2HG LYS 3 10.752 -9.997 20.686 21 HG3 LYS 3 1HG LYS 3 12.025 -8.980 21.356 22 HD2 LYS 3 2HD LYS 3 10.033 -8.024 19.281 23 HD3 LYS 3 1HD LYS 3 9.818 -7.795 21.016 24 HE2 LYS 3 2HE LYS 3 12.145 -6.683 20.982 25 HE3 LYS 3 1HE LYS 3 11.959 -6.633 19.229 26 HZ1 LYS 3 3HZ LYS 3 11.183 -4.616 20.471 27 HZ2 LYS 3 1HZ LYS 3 9.916 -5.564 21.080 28 HZ3 LYS 3 2HZ LYS 3 10.052 -5.303 19.406 29 H VAL 4 H VAL 4 15.452 -11.346 19.290 30 HA VAL 4 HA VAL 4 15.595 -11.192 16.387 31 HB VAL 4 HB VAL 4 18.013 -11.721 16.785 32 HG11 VAL 4 1HG1 VAL 4 17.438 -9.422 16.608 33 HG12 VAL 4 2HG1 VAL 4 18.428 -9.543 18.063 34 HG13 VAL 4 3HG1 VAL 4 16.675 -9.415 18.198 35 HG21 VAL 4 3HG2 VAL 4 18.869 -11.886 19.005 36 HG22 VAL 4 1HG2 VAL 4 17.469 -12.958 18.981 37 HG23 VAL 4 2HG2 VAL 4 17.344 -11.361 19.712 38 H GLU 5 H GLU 5 14.193 -13.396 18.066 39 HA GLU 5 HA GLU 5 13.805 -15.645 17.877 40 HB2 GLU 5 2HB GLU 5 15.217 -15.243 15.230 41 HB3 GLU 5 1HB GLU 5 14.275 -16.664 15.676 42 HG2 GLU 5 2HG GLU 5 13.168 -13.845 15.661 43 HG3 GLU 5 1HG GLU 5 12.990 -14.978 14.321 44 H PHE 6 H PHE 6 16.320 -16.596 15.880 45 HA PHE 6 HA PHE 6 18.116 -17.972 16.238 46 HB2 PHE 6 2HB PHE 6 18.527 -15.887 18.387 47 HB3 PHE 6 1HB PHE 6 19.710 -17.142 18.034 48 HD1 PHE 6 HD2 PHE 6 20.198 -17.441 15.396 49 HD2 PHE 6 HD1 PHE 6 18.832 -13.838 17.297 50 HE1 PHE 6 HE2 PHE 6 21.073 -16.113 13.503 51 HE2 PHE 6 HE1 PHE 6 19.712 -12.507 15.392 52 HZ PHE 6 HZ PHE 6 20.831 -13.646 13.500 53 H ASN 7 H ASN 7 18.783 -17.677 19.458 54 HA ASN 7 HA ASN 7 18.232 -20.335 20.090 55 HB2 ASN 7 2HB ASN 7 18.454 -17.991 21.995 56 HB3 ASN 7 1HB ASN 7 18.657 -19.690 22.415 57 HD21 ASN 7 1HD2 ASN 7 20.625 -17.302 22.392 58 HD22 ASN 7 2HD2 ASN 7 21.952 -17.886 21.508 59 H ASP 8 H ASP 8 16.324 -17.397 20.680 60 HA ASP 8 HA ASP 8 14.215 -18.870 22.021 61 HB2 ASP 8 2HB ASP 8 14.457 -16.006 21.100 62 HB3 ASP 8 1HB ASP 8 13.051 -16.656 21.937 63 H LYS 9 H LYS 9 12.897 -20.113 20.861 64 HA LYS 9 HA LYS 9 12.555 -19.840 18.082 65 HB2 LYS 9 2HB LYS 9 11.531 -21.585 20.222 66 HB3 LYS 9 1HB LYS 9 10.389 -21.385 18.899 67 HG2 LYS 9 2HG LYS 9 12.175 -22.002 17.292 68 HG3 LYS 9 1HG LYS 9 13.269 -22.274 18.645 69 HD2 LYS 9 2HD LYS 9 10.627 -23.713 18.237 70 HD3 LYS 9 1HD LYS 9 12.207 -24.390 17.850 71 HE2 LYS 9 2HE LYS 9 12.758 -23.780 20.367 72 HE3 LYS 9 1HE LYS 9 11.003 -23.824 20.543 73 HZ1 LYS 9 3HZ LYS 9 12.864 -25.983 19.897 74 HZ2 LYS 9 1HZ LYS 9 11.310 -26.049 19.221 75 HZ3 LYS 9 2HZ LYS 9 11.499 -25.993 20.909 76 HA PRO 10 HA PRO 10 9.380 -16.940 17.314 77 HB2 PRO 10 2HB PRO 10 7.600 -19.174 16.390 78 HB3 PRO 10 1HB PRO 10 8.005 -17.652 15.574 79 HG2 PRO 10 2HG PRO 10 9.112 -19.992 14.861 80 HG3 PRO 10 1HG PRO 10 9.994 -18.458 14.761 81 HD2 PRO 10 2HD PRO 10 10.364 -20.699 16.670 82 HD3 PRO 10 1HD PRO 10 11.508 -19.439 16.164 83 H LYS 11 H LYS 11 8.001 -15.991 18.717 84 HA LYS 11 HA LYS 11 6.666 -17.640 20.762 85 HB2 LYS 11 2HB LYS 11 7.216 -14.680 20.559 86 HB3 LYS 11 1HB LYS 11 6.258 -15.407 21.850 87 HG2 LYS 11 2HG LYS 11 8.202 -16.901 22.373 88 HG3 LYS 11 1HG LYS 11 9.154 -16.009 21.189 89 HD2 LYS 11 2HD LYS 11 7.750 -14.673 23.515 90 HD3 LYS 11 1HD LYS 11 9.413 -15.245 23.608 91 HE2 LYS 11 2HE LYS 11 9.857 -13.820 21.518 92 HE3 LYS 11 1HE LYS 11 8.286 -13.080 21.823 93 HZ1 LYS 11 3HZ LYS 11 9.308 -11.753 23.245 94 HZ2 LYS 11 1HZ LYS 11 10.761 -12.624 23.133 95 HZ3 LYS 11 2HZ LYS 11 9.570 -13.099 24.250 96 H VAL 12 H VAL 12 5.630 -17.622 18.071 97 HA VAL 12 HA VAL 12 3.055 -16.187 18.443 98 HB VAL 12 HB VAL 12 2.848 -16.406 15.952 99 HG11 VAL 12 1HG1 VAL 12 5.209 -14.915 17.111 100 HG12 VAL 12 2HG1 VAL 12 3.571 -14.306 16.869 101 HG13 VAL 12 3HG1 VAL 12 4.594 -14.656 15.477 102 HG21 VAL 12 3HG2 VAL 12 4.687 -17.130 14.633 103 HG22 VAL 12 1HG2 VAL 12 4.598 -18.331 15.923 104 HG23 VAL 12 2HG2 VAL 12 5.801 -17.049 15.996 105 H ARG 13 H ARG 13 2.474 -18.065 15.944 106 HA ARG 13 HA ARG 13 1.144 -20.112 17.542 107 HB2 ARG 13 2HB ARG 13 1.005 -19.328 14.626 108 HB3 ARG 13 1HB ARG 13 0.140 -20.713 15.296 109 HG2 ARG 13 2HG ARG 13 -1.007 -19.238 16.897 110 HG3 ARG 13 1HG ARG 13 -0.124 -17.848 16.261 111 HD2 ARG 13 2HD ARG 13 -1.138 -18.210 14.046 112 HD3 ARG 13 1HD ARG 13 -2.008 -19.609 14.666 113 HE ARG 13 HE ARG 13 -3.474 -18.171 15.794 114 HH11 ARG 13 1HH2 ARG 13 -0.784 -16.479 14.419 115 HH12 ARG 13 2HH2 ARG 13 -1.472 -14.909 14.655 116 HH21 ARG 13 1HH1 ARG 13 -4.383 -16.112 16.109 117 HH22 ARG 13 2HH1 ARG 13 -3.510 -14.700 15.613 118 H LYS 14 H LYS 14 1.026 -22.261 15.980 119 HA LYS 14 HA LYS 14 3.554 -23.506 16.357 120 HB2 LYS 14 2HB LYS 14 1.077 -24.395 14.870 121 HB3 LYS 14 1HB LYS 14 2.489 -25.422 15.134 122 HG2 LYS 14 2HG LYS 14 2.249 -25.101 17.580 123 HG3 LYS 14 1HG LYS 14 0.809 -24.123 17.298 124 HD2 LYS 14 2HD LYS 14 -0.291 -26.031 16.205 125 HD3 LYS 14 1HD LYS 14 1.149 -27.016 16.463 126 HE2 LYS 14 2HE LYS 14 0.915 -26.722 18.904 127 HE3 LYS 14 1HE LYS 14 -0.537 -25.755 18.645 128 HZ1 LYS 14 3HZ LYS 14 -0.468 -28.449 18.958 129 HZ2 LYS 14 1HZ LYS 14 -0.603 -28.274 17.277 130 HZ3 LYS 14 2HZ LYS 14 -1.760 -27.564 18.298 131 H ILE 15 H ILE 15 5.160 -23.999 14.938 132 HA ILE 15 HA ILE 15 5.891 -22.398 12.911 133 HB ILE 15 HB ILE 15 6.392 -25.355 12.778 134 HG12 ILE 15 2HG1 ILE 15 6.818 -24.691 15.066 135 HG13 ILE 15 1HG1 ILE 15 8.374 -24.795 14.251 136 HG21 ILE 15 1HG2 ILE 15 7.208 -24.039 10.874 137 HG22 ILE 15 2HG2 ILE 15 8.568 -24.569 11.863 138 HG23 ILE 15 3HG2 ILE 15 7.994 -22.906 11.973 139 HD11 ILE 15 3HD1 ILE 15 8.060 -22.257 13.778 140 HD12 ILE 15 1HD1 ILE 15 8.499 -22.743 15.413 141 HD13 ILE 15 2HD1 ILE 15 6.829 -22.326 15.036 142 HA PRO 16 HA PRO 16 2.593 -23.581 9.995 143 HB2 PRO 16 2HB PRO 16 2.426 -21.222 8.662 144 HB3 PRO 16 1HB PRO 16 1.706 -21.458 10.267 145 HG2 PRO 16 2HG PRO 16 4.207 -20.033 9.505 146 HG3 PRO 16 1HG PRO 16 3.047 -19.670 10.792 147 HD2 PRO 16 2HD PRO 16 5.502 -20.991 11.135 148 HD3 PRO 16 1HD PRO 16 4.167 -20.970 12.307 149 H SER 17 H SER 17 2.520 -23.964 7.711 150 HA SER 17 HA SER 17 4.965 -24.780 6.572 151 HB2 SER 17 2HB SER 17 2.302 -24.247 5.239 152 HB3 SER 17 1HB SER 17 3.649 -25.116 4.508 153 HG SER 17 HG SER 17 2.038 -26.460 5.547 154 H THR 18 H THR 18 2.987 -21.874 6.111 155 HA THR 18 HA THR 18 4.837 -20.789 4.126 156 HB THR 18 HB THR 18 3.204 -19.225 3.674 157 HG1 THR 18 HG1 THR 18 1.678 -19.257 5.889 158 HG21 THR 18 3HG2 THR 18 1.002 -20.268 3.829 159 HG22 THR 18 1HG2 THR 18 1.571 -21.342 5.102 160 HG23 THR 18 2HG2 THR 18 2.209 -21.503 3.465 161 H ARG 19 H ARG 19 4.913 -18.141 4.682 162 HA ARG 19 HA ARG 19 6.053 -17.886 7.410 163 HB2 ARG 19 2HB ARG 19 7.407 -17.172 4.805 164 HB3 ARG 19 1HB ARG 19 7.913 -16.520 6.364 165 HG2 ARG 19 2HG ARG 19 8.284 -18.791 7.205 166 HG3 ARG 19 1HG ARG 19 7.714 -19.467 5.677 167 HD2 ARG 19 2HD ARG 19 9.551 -18.362 4.483 168 HD3 ARG 19 1HD ARG 19 10.109 -17.637 5.989 169 HE ARG 19 HE ARG 19 11.033 -19.692 6.586 170 HH11 ARG 19 1HH2 ARG 19 8.872 -19.998 3.899 171 HH12 ARG 19 2HH2 ARG 19 9.320 -21.636 3.550 172 HH21 ARG 19 1HH1 ARG 19 11.624 -21.835 6.133 173 HH22 ARG 19 2HH1 ARG 19 10.879 -22.676 4.814 174 H LYS 20 H LYS 20 6.563 -15.501 7.852 175 HA LYS 20 HA LYS 20 4.471 -13.770 6.661 176 HB2 LYS 20 2HB LYS 20 5.257 -14.047 9.563 177 HB3 LYS 20 1HB LYS 20 4.244 -12.748 8.930 178 HG2 LYS 20 2HG LYS 20 2.634 -14.412 8.079 179 HG3 LYS 20 1HG LYS 20 3.640 -15.711 8.720 180 HD2 LYS 20 2HD LYS 20 3.341 -14.864 10.994 181 HD3 LYS 20 1HD LYS 20 2.404 -13.501 10.385 182 HE2 LYS 20 2HE LYS 20 0.884 -15.231 11.204 183 HE3 LYS 20 1HE LYS 20 0.740 -15.103 9.451 184 HZ1 LYS 20 3HZ LYS 20 2.214 -17.153 11.003 185 HZ2 LYS 20 1HZ LYS 20 2.410 -16.947 9.330 186 HZ3 LYS 20 2HZ LYS 20 0.894 -17.386 9.960 187 H ILE 21 H ILE 21 4.974 -11.616 6.410 188 HA ILE 21 HA ILE 21 7.745 -10.786 7.048 189 HB ILE 21 HB ILE 21 7.502 -11.471 4.627 190 HG12 ILE 21 2HG1 ILE 21 8.525 -9.345 3.759 191 HG13 ILE 21 1HG1 ILE 21 8.072 -8.557 5.265 192 HG21 ILE 21 1HG2 ILE 21 6.150 -10.179 3.148 193 HG22 ILE 21 2HG2 ILE 21 5.833 -8.964 4.384 194 HG23 ILE 21 3HG2 ILE 21 5.113 -10.563 4.517 195 HD11 ILE 21 3HD1 ILE 21 9.638 -11.100 5.494 196 HD12 ILE 21 1HD1 ILE 21 9.696 -9.641 6.483 197 HD13 ILE 21 2HD1 ILE 21 10.488 -9.673 4.915 198 H LYS 22 H LYS 22 7.993 -8.713 7.693 199 HA LYS 22 HA LYS 22 5.645 -6.911 7.640 200 HB2 LYS 22 2HB LYS 22 7.342 -7.514 10.079 201 HB3 LYS 22 1HB LYS 22 6.014 -6.352 9.991 202 HG2 LYS 22 2HG LYS 22 4.456 -8.186 9.408 203 HG3 LYS 22 1HG LYS 22 5.778 -9.342 9.544 204 HD2 LYS 22 2HD LYS 22 6.090 -8.702 11.911 205 HD3 LYS 22 1HD LYS 22 4.749 -7.562 11.774 206 HE2 LYS 22 2HE LYS 22 3.901 -9.615 12.755 207 HE3 LYS 22 1HE LYS 22 3.267 -9.484 11.114 208 HZ1 LYS 22 3HZ LYS 22 5.015 -11.449 12.230 209 HZ2 LYS 22 1HZ LYS 22 5.650 -10.772 10.810 210 HZ3 LYS 22 2HZ LYS 22 4.114 -11.494 10.790 211 H ILE 23 H ILE 23 8.434 -7.179 6.345 212 HA ILE 23 HA ILE 23 9.508 -4.533 7.150 213 HB ILE 23 HB ILE 23 10.910 -6.843 5.801 214 HG12 ILE 23 2HG1 ILE 23 11.569 -5.817 8.566 215 HG13 ILE 23 1HG1 ILE 23 10.200 -6.911 8.382 216 HG21 ILE 23 1HG2 ILE 23 11.934 -4.800 5.106 217 HG22 ILE 23 2HG2 ILE 23 12.944 -5.410 6.416 218 HG23 ILE 23 3HG2 ILE 23 11.803 -4.100 6.718 219 HD11 ILE 23 3HD1 ILE 23 12.921 -7.545 7.234 220 HD12 ILE 23 1HD1 ILE 23 11.555 -8.637 7.479 221 HD13 ILE 23 2HD1 ILE 23 12.443 -8.013 8.868 222 H THR 24 H THR 24 8.378 -3.212 5.823 223 HA THR 24 HA THR 24 8.688 -3.643 2.897 224 HB THR 24 HB THR 24 6.547 -2.074 4.352 225 HG1 THR 24 HG1 THR 24 6.253 -4.436 2.839 226 HG21 THR 24 3HG2 THR 24 7.203 -2.566 1.447 227 HG22 THR 24 1HG2 THR 24 6.799 -1.047 2.248 228 HG23 THR 24 2HG2 THR 24 5.545 -2.252 1.947 229 H PHE 25 H PHE 25 9.428 -1.980 1.650 230 HA PHE 25 HA PHE 25 11.092 -0.056 2.941 231 HB2 PHE 25 2HB PHE 25 11.316 -1.177 0.581 232 HB3 PHE 25 1HB PHE 25 10.274 0.137 0.043 233 HD1 PHE 25 HD2 PHE 25 10.972 2.553 0.736 234 HD2 PHE 25 HD1 PHE 25 13.629 -0.822 0.802 235 HE1 PHE 25 HE2 PHE 25 12.922 4.085 0.709 236 HE2 PHE 25 HE1 PHE 25 15.579 0.707 0.775 237 HZ PHE 25 HZ PHE 25 15.225 3.163 0.732 238 H ALA 26 H ALA 26 10.440 1.780 3.837 239 HA ALA 26 HA ALA 26 7.894 3.010 2.975 240 HB1 ALA 26 3HB ALA 26 9.589 3.676 5.390 241 HB2 ALA 26 1HB ALA 26 8.284 2.490 5.403 242 HB3 ALA 26 2HB ALA 26 7.931 4.186 5.073 243 H LEU 27 H LEU 27 8.003 4.620 1.567 244 HA LEU 27 HA LEU 27 10.392 5.870 0.746 245 HB2 LEU 27 2HB LEU 27 7.575 6.932 0.450 246 HB3 LEU 27 1HB LEU 27 8.969 7.336 -0.550 247 HG LEU 27 HG LEU 27 7.743 4.574 -0.290 248 HD11 LEU 27 1HD1 LEU 27 6.878 4.918 -2.516 249 HD12 LEU 27 2HD1 LEU 27 7.727 6.456 -2.665 250 HD13 LEU 27 3HD1 LEU 27 6.380 6.298 -1.539 251 HD21 LEU 27 3HD2 LEU 27 10.003 4.192 -0.808 252 HD22 LEU 27 1HD2 LEU 27 10.143 5.673 -1.757 253 HD23 LEU 27 2HD2 LEU 27 9.274 4.283 -2.406 254 H ASP 28 H ASP 28 7.860 6.869 3.010 255 HA ASP 28 HA ASP 28 9.725 8.700 4.298 256 HB2 ASP 28 2HB ASP 28 8.596 9.980 2.415 257 HB3 ASP 28 1HB ASP 28 7.084 9.765 3.294 258 H ALA 29 H ALA 29 8.320 9.947 6.080 259 HA ALA 29 HA ALA 29 7.459 7.971 7.903 260 HB1 ALA 29 3HB ALA 29 8.354 10.271 8.466 261 HB2 ALA 29 1HB ALA 29 6.915 9.788 9.367 262 HB3 ALA 29 2HB ALA 29 6.773 10.913 8.015 263 H THR 30 H THR 30 5.700 10.108 5.716 264 HA THR 30 HA THR 30 3.103 9.675 6.690 265 HB THR 30 HB THR 30 2.393 10.787 4.789 266 HG1 THR 30 HG1 THR 30 2.709 9.343 3.223 267 HG21 THR 30 3HG2 THR 30 4.601 11.821 5.796 268 HG22 THR 30 1HG2 THR 30 3.956 12.447 4.284 269 HG23 THR 30 2HG2 THR 30 5.300 11.312 4.260 270 H PHE 31 H PHE 31 4.931 7.955 4.171 271 HA PHE 31 HA PHE 31 2.859 6.005 3.781 272 HB2 PHE 31 2HB PHE 31 5.684 6.346 2.799 273 HB3 PHE 31 1HB PHE 31 4.857 4.811 2.545 274 HD1 PHE 31 HD2 PHE 31 2.326 5.100 1.690 275 HD2 PHE 31 HD1 PHE 31 5.500 7.930 1.081 276 HE1 PHE 31 HE2 PHE 31 1.116 6.038 -0.250 277 HE2 PHE 31 HE1 PHE 31 4.294 8.857 -0.874 278 HZ PHE 31 HZ PHE 31 2.097 7.921 -1.537 279 H ASP 32 H ASP 32 4.968 6.517 6.259 280 HA ASP 32 HA ASP 32 5.628 3.717 6.803 281 HB2 ASP 32 2HB ASP 32 7.158 5.678 7.339 282 HB3 ASP 32 1HB ASP 32 6.038 6.075 8.637 283 H SER 33 H SER 33 3.898 6.309 8.560 284 HA SER 33 HA SER 33 2.636 4.488 10.358 285 HB2 SER 33 2HB SER 33 1.253 6.435 10.992 286 HB3 SER 33 1HB SER 33 2.968 6.832 10.960 287 HG SER 33 HG SER 33 2.296 8.377 9.688 288 H VAL 34 H VAL 34 1.725 5.993 7.292 289 HA VAL 34 HA VAL 34 -0.993 5.171 7.305 290 HB VAL 34 HB VAL 34 0.893 5.804 5.027 291 HG11 VAL 34 1HG1 VAL 34 -2.064 5.191 5.075 292 HG12 VAL 34 2HG1 VAL 34 -0.815 4.480 4.051 293 HG13 VAL 34 3HG1 VAL 34 -1.331 6.146 3.786 294 HG21 VAL 34 3HG2 VAL 34 -1.403 7.457 6.090 295 HG22 VAL 34 1HG2 VAL 34 -0.053 7.980 5.084 296 HG23 VAL 34 2HG2 VAL 34 0.214 7.583 6.781 297 H LEU 35 H LEU 35 1.955 3.713 5.867 298 HA LEU 35 HA LEU 35 0.618 1.481 4.767 299 HB2 LEU 35 2HB LEU 35 2.868 2.078 4.068 300 HB3 LEU 35 1HB LEU 35 3.483 1.783 5.695 301 HG LEU 35 HG LEU 35 2.899 -0.594 5.509 302 HD11 LEU 35 1HD1 LEU 35 0.992 -0.741 4.157 303 HD12 LEU 35 2HD1 LEU 35 2.247 -1.322 3.069 304 HD13 LEU 35 3HD1 LEU 35 1.657 0.332 2.923 305 HD21 LEU 35 3HD2 LEU 35 4.487 -1.192 3.712 306 HD22 LEU 35 1HD2 LEU 35 5.101 0.118 4.715 307 HD23 LEU 35 2HD2 LEU 35 4.434 0.467 3.119 308 H SER 36 H SER 36 2.149 2.011 7.918 309 HA SER 36 HA SER 36 1.975 -0.598 8.902 310 HB2 SER 36 2HB SER 36 3.265 0.912 10.164 311 HB3 SER 36 1HB SER 36 1.966 2.100 10.229 312 HG SER 36 HG SER 36 1.065 1.035 11.825 313 H LYS 37 H LYS 37 -0.323 2.093 9.269 314 HA LYS 37 HA LYS 37 -2.267 0.608 10.693 315 HB2 LYS 37 2HB LYS 37 -2.473 3.120 9.028 316 HB3 LYS 37 1HB LYS 37 -3.818 2.455 9.958 317 HG2 LYS 37 2HG LYS 37 -2.476 2.602 12.018 318 HG3 LYS 37 1HG LYS 37 -1.123 3.256 11.096 319 HD2 LYS 37 2HD LYS 37 -2.553 5.168 10.400 320 HD3 LYS 37 1HD LYS 37 -3.858 4.531 11.401 321 HE2 LYS 37 2HE LYS 37 -1.120 5.391 12.383 322 HE3 LYS 37 1HE LYS 37 -2.630 6.269 12.624 323 HZ1 LYS 37 3HZ LYS 37 -1.930 4.860 14.534 324 HZ2 LYS 37 1HZ LYS 37 -2.179 3.492 13.563 325 HZ3 LYS 37 2HZ LYS 37 -3.484 4.511 13.945 326 H ALA 38 H ALA 38 -1.642 1.089 7.276 327 HA ALA 38 HA ALA 38 -4.050 0.157 6.207 328 HB1 ALA 38 3HB ALA 38 -2.144 1.227 4.949 329 HB2 ALA 38 1HB ALA 38 -2.856 -0.183 4.164 330 HB3 ALA 38 2HB ALA 38 -1.320 -0.330 5.018 331 H CYS 39 H CYS 39 -1.447 -1.550 7.724 332 HA CYS 39 HA CYS 39 -2.932 -3.948 7.948 333 HB2 CYS 39 2HB CYS 39 -2.162 -3.909 5.457 334 HB3 CYS 39 1HB CYS 39 -0.580 -4.309 6.107 335 HG CYS 39 HG CYS 39 -2.563 -6.353 5.633 336 H SER 40 H SER 40 0.387 -2.693 7.661 337 HA SER 40 HA SER 40 2.223 -2.896 9.020 338 HB2 SER 40 2HB SER 40 1.348 -1.912 10.906 339 HB3 SER 40 1HB SER 40 -0.090 -2.924 10.886 340 HG SER 40 HG SER 40 2.483 -3.489 11.887 341 H GLU 41 H GLU 41 0.252 -5.449 8.264 342 HA GLU 41 HA GLU 41 2.314 -7.380 9.059 343 HB2 GLU 41 2HB GLU 41 -0.631 -7.632 9.712 344 HB3 GLU 41 1HB GLU 41 0.525 -8.960 9.817 345 HG2 GLU 41 2HG GLU 41 1.873 -7.642 11.428 346 HG3 GLU 41 1HG GLU 41 0.682 -6.346 11.344 347 H PHE 42 H PHE 42 2.920 -8.318 7.202 348 HA PHE 42 HA PHE 42 0.806 -8.937 5.193 349 HB2 PHE 42 2HB PHE 42 3.689 -8.127 4.760 350 HB3 PHE 42 1HB PHE 42 2.597 -8.676 3.490 351 HD1 PHE 42 HD2 PHE 42 0.325 -7.416 3.275 352 HD2 PHE 42 HD1 PHE 42 3.751 -5.845 5.335 353 HE1 PHE 42 HE2 PHE 42 -0.599 -5.125 3.063 354 HE2 PHE 42 HE1 PHE 42 2.826 -3.552 5.123 355 HZ PHE 42 HZ PHE 42 0.652 -3.193 3.987 356 H GLU 43 H GLU 43 0.662 -11.007 4.553 357 HA GLU 43 HA GLU 43 2.541 -12.936 5.719 358 HB2 GLU 43 2HB GLU 43 0.080 -13.256 5.998 359 HB3 GLU 43 1HB GLU 43 -0.055 -13.432 4.249 360 HG2 GLU 43 2HG GLU 43 1.394 -15.378 4.275 361 HG3 GLU 43 1HG GLU 43 1.727 -15.157 5.991 362 H VAL 44 H VAL 44 3.405 -14.649 4.422 363 HA VAL 44 HA VAL 44 3.558 -14.096 1.515 364 HB VAL 44 HB VAL 44 6.024 -14.735 1.687 365 HG11 VAL 44 1HG1 VAL 44 6.638 -12.402 2.499 366 HG12 VAL 44 2HG1 VAL 44 4.929 -12.179 2.870 367 HG13 VAL 44 3HG1 VAL 44 5.437 -12.457 1.212 368 HG21 VAL 44 3HG2 VAL 44 7.071 -14.287 3.882 369 HG22 VAL 44 1HG2 VAL 44 5.945 -15.624 3.978 370 HG23 VAL 44 2HG2 VAL 44 5.480 -14.047 4.589 371 H ASP 45 H ASP 45 2.828 -15.806 0.507 372 HA ASP 45 HA ASP 45 3.788 -18.479 1.252 373 HB2 ASP 45 2HB ASP 45 1.609 -18.074 2.465 374 HB3 ASP 45 1HB ASP 45 0.837 -17.922 0.890 375 H LYS 46 H LYS 46 3.371 -20.077 -0.412 376 HA LYS 46 HA LYS 46 3.919 -19.119 -3.002 377 HB2 LYS 46 2HB LYS 46 4.277 -21.489 -1.961 378 HB3 LYS 46 1HB LYS 46 2.633 -21.808 -2.512 379 HG2 LYS 46 2HG LYS 46 3.257 -21.275 -4.813 380 HG3 LYS 46 1HG LYS 46 4.875 -20.804 -4.298 381 HD2 LYS 46 2HD LYS 46 5.265 -23.111 -3.478 382 HD3 LYS 46 1HD LYS 46 3.667 -23.573 -4.069 383 HE2 LYS 46 2HE LYS 46 5.834 -22.388 -5.822 384 HE3 LYS 46 1HE LYS 46 5.531 -24.120 -5.668 385 HZ1 LYS 46 3HZ LYS 46 4.085 -23.806 -7.321 386 HZ2 LYS 46 1HZ LYS 46 4.056 -22.123 -7.118 387 HZ3 LYS 46 2HZ LYS 46 3.069 -23.110 -6.151 388 H ASP 47 H ASP 47 1.242 -18.374 -1.515 389 HA ASP 47 HA ASP 47 -0.626 -18.976 -3.722 390 HB2 ASP 47 2HB ASP 47 -1.053 -18.144 -0.852 391 HB3 ASP 47 1HB ASP 47 -2.345 -18.167 -2.052 392 H VAL 48 H VAL 48 0.787 -16.372 -1.790 393 HA VAL 48 HA VAL 48 -0.547 -14.350 -3.474 394 HB VAL 48 HB VAL 48 1.210 -13.876 -1.064 395 HG11 VAL 48 1HG1 VAL 48 -0.070 -11.749 -1.002 396 HG12 VAL 48 2HG1 VAL 48 -0.930 -12.239 -2.463 397 HG13 VAL 48 3HG1 VAL 48 0.808 -11.938 -2.521 398 HG21 VAL 48 3HG2 VAL 48 -1.794 -14.284 -1.225 399 HG22 VAL 48 1HG2 VAL 48 -0.932 -13.704 0.201 400 HG23 VAL 48 2HG2 VAL 48 -0.642 -15.337 -0.401 401 H THR 49 H THR 49 0.510 -13.962 -5.308 402 HA THR 49 HA THR 49 3.416 -14.150 -5.451 403 HB THR 49 HB THR 49 3.017 -13.552 -7.863 404 HG1 THR 49 HG1 THR 49 0.750 -12.739 -6.962 405 HG21 THR 49 3HG2 THR 49 3.215 -15.871 -7.287 406 HG22 THR 49 1HG2 THR 49 1.817 -15.735 -8.354 407 HG23 THR 49 2HG2 THR 49 1.584 -15.907 -6.614 408 H LEU 50 H LEU 50 4.602 -12.375 -6.536 409 HA LEU 50 HA LEU 50 4.641 -10.043 -5.077 410 HB2 LEU 50 2HB LEU 50 5.716 -9.056 -7.271 411 HB3 LEU 50 1HB LEU 50 6.551 -10.325 -6.388 412 HG LEU 50 HG LEU 50 4.585 -11.278 -8.438 413 HD11 LEU 50 1HD1 LEU 50 6.312 -10.972 -10.256 414 HD12 LEU 50 2HD1 LEU 50 7.137 -9.836 -9.186 415 HD13 LEU 50 3HD1 LEU 50 5.500 -9.493 -9.745 416 HD21 LEU 50 3HD2 LEU 50 6.241 -12.664 -6.990 417 HD22 LEU 50 1HD2 LEU 50 7.479 -12.076 -8.096 418 HD23 LEU 50 2HD2 LEU 50 6.137 -13.041 -8.707 419 H ASP 51 H ASP 51 2.939 -10.634 -8.148 420 HA ASP 51 HA ASP 51 1.962 -8.056 -8.578 421 HB2 ASP 51 2HB ASP 51 0.041 -9.335 -9.755 422 HB3 ASP 51 1HB ASP 51 1.682 -9.566 -10.355 423 H GLU 52 H GLU 52 0.577 -10.730 -6.709 424 HA GLU 52 HA GLU 52 -1.754 -9.252 -5.946 425 HB2 GLU 52 2HB GLU 52 -0.513 -11.782 -4.853 426 HB3 GLU 52 1HB GLU 52 -2.047 -11.116 -4.291 427 HG2 GLU 52 2HG GLU 52 -2.961 -11.257 -6.568 428 HG3 GLU 52 1HG GLU 52 -1.425 -11.890 -7.156 429 H LEU 53 H LEU 53 1.483 -9.629 -4.682 430 HA LEU 53 HA LEU 53 0.971 -8.766 -2.044 431 HB2 LEU 53 2HB LEU 53 3.064 -9.885 -2.710 432 HB3 LEU 53 1HB LEU 53 3.498 -8.487 -3.692 433 HG LEU 53 HG LEU 53 3.517 -7.065 -1.667 434 HD11 LEU 53 1HD1 LEU 53 2.008 -7.945 -0.130 435 HD12 LEU 53 2HD1 LEU 53 3.527 -8.504 0.558 436 HD13 LEU 53 3HD1 LEU 53 2.536 -9.608 -0.396 437 HD21 LEU 53 3HD2 LEU 53 5.562 -7.918 -0.732 438 HD22 LEU 53 1HD2 LEU 53 5.545 -8.357 -2.438 439 HD23 LEU 53 2HD2 LEU 53 5.161 -9.567 -1.217 440 H LEU 54 H LEU 54 2.252 -6.956 -4.827 441 HA LEU 54 HA LEU 54 2.171 -4.438 -3.499 442 HB2 LEU 54 2HB LEU 54 2.580 -3.478 -5.717 443 HB3 LEU 54 1HB LEU 54 3.634 -4.856 -5.414 444 HG LEU 54 HG LEU 54 1.500 -6.129 -6.568 445 HD11 LEU 54 1HD1 LEU 54 0.522 -4.895 -8.314 446 HD12 LEU 54 2HD1 LEU 54 1.742 -3.625 -8.229 447 HD13 LEU 54 3HD1 LEU 54 0.520 -3.754 -6.976 448 HD21 LEU 54 3HD2 LEU 54 3.678 -6.592 -7.352 449 HD22 LEU 54 1HD2 LEU 54 3.964 -4.915 -7.806 450 HD23 LEU 54 2HD2 LEU 54 2.858 -5.908 -8.754 451 H ASP 55 H ASP 55 -0.058 -6.139 -5.651 452 HA ASP 55 HA ASP 55 -1.897 -4.021 -5.994 453 HB2 ASP 55 2HB ASP 55 -1.808 -6.150 -7.333 454 HB3 ASP 55 1HB ASP 55 -2.534 -6.977 -5.955 455 H VAL 56 H VAL 56 -1.741 -6.648 -3.608 456 HA VAL 56 HA VAL 56 -4.148 -5.925 -2.270 457 HB VAL 56 HB VAL 56 -1.789 -7.629 -1.445 458 HG11 VAL 56 1HG1 VAL 56 -4.361 -6.959 -0.002 459 HG12 VAL 56 2HG1 VAL 56 -2.711 -6.876 0.614 460 HG13 VAL 56 3HG1 VAL 56 -3.468 -8.443 0.328 461 HG21 VAL 56 3HG2 VAL 56 -3.479 -8.287 -3.333 462 HG22 VAL 56 1HG2 VAL 56 -4.622 -8.521 -2.011 463 HG23 VAL 56 2HG2 VAL 56 -3.133 -9.465 -2.070 464 H VAL 57 H VAL 57 -0.715 -5.249 -1.700 465 HA VAL 57 HA VAL 57 -1.026 -3.909 0.760 466 HB VAL 57 HB VAL 57 1.056 -3.645 -1.418 467 HG11 VAL 57 1HG1 VAL 57 1.206 -1.615 -0.200 468 HG12 VAL 57 2HG1 VAL 57 2.429 -2.659 0.523 469 HG13 VAL 57 3HG1 VAL 57 0.883 -2.417 1.339 470 HG21 VAL 57 3HG2 VAL 57 1.522 -4.905 1.272 471 HG22 VAL 57 1HG2 VAL 57 2.253 -5.288 -0.283 472 HG23 VAL 57 2HG2 VAL 57 0.612 -5.826 0.078 473 H LEU 58 H LEU 58 -0.896 -2.666 -2.579 474 HA LEU 58 HA LEU 58 -1.214 0.057 -1.872 475 HB2 LEU 58 2HB LEU 58 -0.392 -0.677 -4.060 476 HB3 LEU 58 1HB LEU 58 -1.956 -1.383 -4.432 477 HG LEU 58 HG LEU 58 -1.724 1.534 -3.655 478 HD11 LEU 58 1HD1 LEU 58 -1.222 0.303 -6.373 479 HD12 LEU 58 2HD1 LEU 58 -0.173 1.385 -5.456 480 HD13 LEU 58 3HD1 LEU 58 -1.670 1.997 -6.156 481 HD21 LEU 58 3HD2 LEU 58 -3.710 1.341 -5.548 482 HD22 LEU 58 1HD2 LEU 58 -3.981 1.224 -3.818 483 HD23 LEU 58 2HD2 LEU 58 -3.844 -0.234 -4.788 484 H ASP 59 H ASP 59 -3.570 -2.307 -3.097 485 HA ASP 59 HA ASP 59 -5.862 -0.760 -2.967 486 HB2 ASP 59 2HB ASP 59 -5.689 -3.115 -3.861 487 HB3 ASP 59 1HB ASP 59 -5.753 -3.684 -2.195 488 H ALA 60 H ALA 60 -4.228 -2.531 -0.383 489 HA ALA 60 HA ALA 60 -6.178 -2.134 1.627 490 HB1 ALA 60 3HB ALA 60 -3.193 -2.343 2.071 491 HB2 ALA 60 1HB ALA 60 -4.206 -3.737 1.697 492 HB3 ALA 60 2HB ALA 60 -4.486 -2.817 3.174 493 H VAL 61 H VAL 61 -3.217 -0.308 0.821 494 HA VAL 61 HA VAL 61 -3.501 1.659 2.825 495 HB VAL 61 HB VAL 61 -2.126 1.722 0.130 496 HG11 VAL 61 1HG1 VAL 61 -2.502 4.012 0.623 497 HG12 VAL 61 2HG1 VAL 61 -0.880 3.695 1.237 498 HG13 VAL 61 3HG1 VAL 61 -2.248 3.769 2.349 499 HG21 VAL 61 3HG2 VAL 61 -0.117 1.344 1.422 500 HG22 VAL 61 1HG2 VAL 61 -1.305 0.139 1.924 501 HG23 VAL 61 2HG2 VAL 61 -0.994 1.550 2.937 502 H GLU 62 H GLU 62 -4.463 1.700 -0.615 503 HA GLU 62 HA GLU 62 -5.594 4.269 -0.602 504 HB2 GLU 62 2HB GLU 62 -5.056 2.937 -2.638 505 HB3 GLU 62 1HB GLU 62 -6.437 1.900 -2.289 506 HG2 GLU 62 2HG GLU 62 -7.940 3.844 -2.418 507 HG3 GLU 62 1HG GLU 62 -6.562 4.894 -2.744 508 H SER 63 H SER 63 -6.941 1.106 0.188 509 HA SER 63 HA SER 63 -9.649 1.840 0.362 510 HB2 SER 63 2HB SER 63 -9.156 -0.479 0.388 511 HB3 SER 63 1HB SER 63 -8.014 -0.302 1.717 512 HG SER 63 HG SER 63 -9.800 0.304 3.034 513 H THR 64 H THR 64 -7.069 1.829 2.818 514 HA THR 64 HA THR 64 -8.789 2.807 4.900 515 HB THR 64 HB THR 64 -6.609 3.226 6.093 516 HG1 THR 64 HG1 THR 64 -4.755 2.463 5.013 517 HG21 THR 64 3HG2 THR 64 -7.895 0.988 5.990 518 HG22 THR 64 1HG2 THR 64 -6.209 0.926 6.485 519 HG23 THR 64 2HG2 THR 64 -6.659 0.480 4.842 520 H LEU 65 H LEU 65 -6.470 4.289 2.669 521 HA LEU 65 HA LEU 65 -7.309 6.957 3.638 522 HB2 LEU 65 2HB LEU 65 -4.854 6.405 3.705 523 HB3 LEU 65 1HB LEU 65 -4.895 6.261 1.951 524 HG LEU 65 HG LEU 65 -5.736 8.605 1.801 525 HD11 LEU 65 1HD1 LEU 65 -6.783 9.208 3.775 526 HD12 LEU 65 2HD1 LEU 65 -5.201 9.906 4.085 527 HD13 LEU 65 3HD1 LEU 65 -5.627 8.347 4.791 528 HD21 LEU 65 3HD2 LEU 65 -3.335 8.139 1.584 529 HD22 LEU 65 1HD2 LEU 65 -3.141 8.226 3.336 530 HD23 LEU 65 2HD2 LEU 65 -3.578 9.672 2.423 531 H SER 66 H SER 66 -8.990 7.624 2.476 532 HA SER 66 HA SER 66 -9.312 6.955 -0.318 533 HB2 SER 66 2HB SER 66 -11.452 7.236 0.424 534 HB3 SER 66 1HB SER 66 -10.927 8.180 1.809 535 HG SER 66 HG SER 66 -11.437 9.021 -0.843 536 HA PRO 67 HA PRO 67 -8.580 11.693 -0.920 537 HB2 PRO 67 2HB PRO 67 -7.477 13.059 1.222 538 HB3 PRO 67 1HB PRO 67 -9.221 12.958 0.905 539 HG2 PRO 67 2HG PRO 67 -7.549 11.334 2.781 540 HG3 PRO 67 1HG PRO 67 -9.146 12.066 3.042 541 HD2 PRO 67 2HD PRO 67 -8.901 9.458 2.497 542 HD3 PRO 67 1HD PRO 67 -10.255 10.399 1.846 543 H CYS 68 H CYS 68 -6.787 12.164 -2.073 544 HA CYS 68 HA CYS 68 -4.131 11.438 -0.986 545 HB2 CYS 68 2HB CYS 68 -3.654 10.775 -3.487 546 HB3 CYS 68 1HB CYS 68 -4.425 9.615 -2.408 547 HG CYS 68 HG CYS 68 -5.882 11.209 -4.649 548 H LYS 69 H LYS 69 -6.040 13.281 -3.315 549 HA LYS 69 HA LYS 69 -3.899 14.876 -4.292 550 HB2 LYS 69 2HB LYS 69 -5.643 16.292 -5.235 551 HB3 LYS 69 1HB LYS 69 -6.053 14.595 -5.484 552 HG2 LYS 69 2HG LYS 69 -7.482 14.691 -3.429 553 HG3 LYS 69 1HG LYS 69 -7.157 16.422 -3.330 554 HD2 LYS 69 2HD LYS 69 -8.142 16.758 -5.552 555 HD3 LYS 69 1HD LYS 69 -8.442 15.025 -5.690 556 HE2 LYS 69 2HE LYS 69 -10.485 16.186 -4.968 557 HE3 LYS 69 1HE LYS 69 -9.894 15.127 -3.687 558 HZ1 LYS 69 3HZ LYS 69 -10.253 17.928 -3.643 559 HZ2 LYS 69 1HZ LYS 69 -8.625 17.563 -3.347 560 HZ3 LYS 69 2HZ LYS 69 -9.838 16.885 -2.368 561 H GLU 70 H GLU 70 -5.341 14.767 -1.282 562 HA GLU 70 HA GLU 70 -5.355 17.561 -0.643 563 HB2 GLU 70 2HB GLU 70 -6.717 15.854 0.563 564 HB3 GLU 70 1HB GLU 70 -5.226 15.192 1.237 565 HG2 GLU 70 2HG GLU 70 -4.720 17.344 2.294 566 HG3 GLU 70 1HG GLU 70 -6.165 18.054 1.578 567 H HIS 71 H HIS 71 -2.985 14.989 -0.516 568 HA HIS 71 HA HIS 71 -1.070 16.624 0.982 569 HB2 HIS 71 2HB HIS 71 -0.766 13.850 -0.143 570 HB3 HIS 71 1HB HIS 71 0.316 14.656 0.998 571 HD1 HIS 71 HD1 HIS 71 -2.975 12.897 0.776 572 HD2 HIS 71 HD2 HIS 71 -0.732 14.902 3.663 573 HE1 HIS 71 HE1 HIS 71 -4.047 12.372 3.009 574 H ASP 72 H ASP 72 -0.084 18.154 -0.140 575 HA ASP 72 HA ASP 72 0.348 18.062 -2.942 576 HB2 ASP 72 2HB ASP 72 1.861 20.009 -2.508 577 HB3 ASP 72 1HB ASP 72 0.253 20.195 -1.813 578 H VAL 73 H VAL 73 2.534 17.581 -0.168 579 HA VAL 73 HA VAL 73 4.813 16.941 -1.741 580 HB VAL 73 HB VAL 73 4.277 16.027 1.091 581 HG11 VAL 73 1HG1 VAL 73 6.711 16.151 1.279 582 HG12 VAL 73 2HG1 VAL 73 6.832 16.770 -0.368 583 HG13 VAL 73 3HG1 VAL 73 6.282 15.119 -0.086 584 HG21 VAL 73 3HG2 VAL 73 5.423 18.203 1.701 585 HG22 VAL 73 1HG2 VAL 73 3.798 18.390 1.045 586 HG23 VAL 73 2HG2 VAL 73 5.202 18.710 0.027 587 H ILE 74 H ILE 74 2.372 14.958 -0.084 588 HA ILE 74 HA ILE 74 3.485 12.517 -1.289 589 HB ILE 74 HB ILE 74 1.057 12.534 0.488 590 HG12 ILE 74 2HG1 ILE 74 2.625 14.031 1.630 591 HG13 ILE 74 1HG1 ILE 74 2.553 12.482 2.458 592 HG21 ILE 74 1HG2 ILE 74 2.024 10.402 1.231 593 HG22 ILE 74 2HG2 ILE 74 3.436 10.683 0.223 594 HG23 ILE 74 3HG2 ILE 74 1.859 10.427 -0.525 595 HD11 ILE 74 3HD1 ILE 74 4.711 13.401 0.534 596 HD12 ILE 74 1HD1 ILE 74 4.618 11.778 1.210 597 HD13 ILE 74 2HD1 ILE 74 4.885 13.158 2.266 598 H GLY 75 H GLY 75 1.909 14.755 -2.662 599 HA2 GLY 75 2HA GLY 75 -0.533 13.440 -3.551 600 HA3 GLY 75 1HA GLY 75 0.108 14.970 -4.144 601 H THR 76 H THR 76 -0.648 13.855 -6.196 602 HA THR 76 HA THR 76 0.056 13.181 -8.284 603 HB THR 76 HB THR 76 2.689 12.164 -7.257 604 HG1 THR 76 HG1 THR 76 2.475 14.875 -7.789 605 HG21 THR 76 3HG2 THR 76 3.486 13.132 -9.360 606 HG22 THR 76 1HG2 THR 76 1.895 13.834 -9.662 607 HG23 THR 76 2HG2 THR 76 2.102 12.083 -9.669 608 H LYS 77 H LYS 77 0.432 11.217 -5.464 609 HA LYS 77 HA LYS 77 0.706 8.689 -6.695 610 HB2 LYS 77 2HB LYS 77 -0.091 7.789 -4.551 611 HB3 LYS 77 1HB LYS 77 1.120 9.045 -4.299 612 HG2 LYS 77 2HG LYS 77 -0.618 10.692 -3.833 613 HG3 LYS 77 1HG LYS 77 -1.873 9.510 -4.185 614 HD2 LYS 77 2HD LYS 77 0.177 9.211 -1.984 615 HD3 LYS 77 1HD LYS 77 -1.470 9.793 -1.749 616 HE2 LYS 77 2HE LYS 77 -1.804 7.547 -1.289 617 HE3 LYS 77 1HE LYS 77 -2.056 7.500 -3.032 618 HZ1 LYS 77 3HZ LYS 77 0.694 7.320 -2.503 619 HZ2 LYS 77 1HZ LYS 77 -0.321 6.166 -3.221 620 HZ3 LYS 77 2HZ LYS 77 -0.112 6.181 -1.536 621 H VAL 78 H VAL 78 -1.823 10.888 -6.729 622 HA VAL 78 HA VAL 78 -4.035 9.072 -6.707 623 HB VAL 78 HB VAL 78 -4.349 11.442 -6.203 624 HG11 VAL 78 1HG1 VAL 78 -3.888 13.186 -7.696 625 HG12 VAL 78 2HG1 VAL 78 -3.900 12.132 -9.106 626 HG13 VAL 78 3HG1 VAL 78 -2.537 12.093 -7.985 627 HG21 VAL 78 3HG2 VAL 78 -6.169 10.041 -7.325 628 HG22 VAL 78 1HG2 VAL 78 -5.726 10.833 -8.836 629 HG23 VAL 78 2HG2 VAL 78 -6.347 11.786 -7.488 630 H CYS 79 H CYS 79 -2.399 10.849 -9.333 631 HA CYS 79 HA CYS 79 -3.754 9.470 -11.428 632 HB2 CYS 79 2HB CYS 79 -1.208 11.111 -11.421 633 HB3 CYS 79 1HB CYS 79 -1.994 10.505 -12.879 634 HG CYS 79 HG CYS 79 -3.125 12.734 -11.029 635 H ALA 80 H ALA 80 -0.583 9.135 -9.874 636 HA ALA 80 HA ALA 80 0.423 7.102 -11.553 637 HB1 ALA 80 3HB ALA 80 2.070 6.732 -9.876 638 HB2 ALA 80 1HB ALA 80 1.019 7.353 -8.602 639 HB3 ALA 80 2HB ALA 80 1.694 8.455 -9.802 640 H LEU 81 H LEU 81 -1.280 6.888 -8.437 641 HA LEU 81 HA LEU 81 -1.338 4.127 -8.186 642 HB2 LEU 81 2HB LEU 81 -2.066 5.529 -6.374 643 HB3 LEU 81 1HB LEU 81 -3.368 6.209 -7.348 644 HG LEU 81 HG LEU 81 -3.410 3.231 -7.117 645 HD11 LEU 81 1HD1 LEU 81 -4.493 3.406 -4.833 646 HD12 LEU 81 2HD1 LEU 81 -3.830 5.033 -4.719 647 HD13 LEU 81 3HD1 LEU 81 -2.748 3.647 -4.850 648 HD21 LEU 81 3HD2 LEU 81 -5.629 5.183 -6.459 649 HD22 LEU 81 1HD2 LEU 81 -5.755 3.545 -7.099 650 HD23 LEU 81 2HD2 LEU 81 -5.187 4.855 -8.132 651 H LEU 82 H LEU 82 -3.556 6.299 -9.943 652 HA LEU 82 HA LEU 82 -5.430 4.330 -10.675 653 HB2 LEU 82 2HB LEU 82 -5.818 6.744 -10.978 654 HB3 LEU 82 1HB LEU 82 -4.554 6.798 -12.205 655 HG LEU 82 HG LEU 82 -5.851 5.217 -13.607 656 HD11 LEU 82 1HD1 LEU 82 -8.360 5.008 -12.786 657 HD12 LEU 82 2HD1 LEU 82 -7.647 5.237 -11.192 658 HD13 LEU 82 3HD1 LEU 82 -7.140 3.881 -12.202 659 HD21 LEU 82 3HD2 LEU 82 -7.413 7.641 -12.661 660 HD22 LEU 82 1HD2 LEU 82 -7.697 6.776 -14.171 661 HD23 LEU 82 2HD2 LEU 82 -6.174 7.629 -13.917 662 H ASP 83 H ASP 83 -2.538 5.517 -12.400 663 HA ASP 83 HA ASP 83 -2.796 3.766 -14.616 664 HB2 ASP 83 2HB ASP 83 -1.383 5.853 -14.514 665 HB3 ASP 83 1HB ASP 83 -0.227 4.938 -13.540 666 H ARG 84 H ARG 84 -0.978 3.536 -11.591 667 HA ARG 84 HA ARG 84 0.362 1.124 -12.144 668 HB2 ARG 84 2HB ARG 84 -0.271 2.746 -9.723 669 HB3 ARG 84 1HB ARG 84 0.134 1.060 -9.426 670 HG2 ARG 84 2HG ARG 84 2.146 2.393 -9.312 671 HG3 ARG 84 1HG ARG 84 2.226 1.377 -10.751 672 HD2 ARG 84 2HD ARG 84 1.341 3.347 -12.064 673 HD3 ARG 84 1HD ARG 84 1.538 4.309 -10.604 674 HE ARG 84 HE ARG 84 3.659 3.333 -12.319 675 HH11 ARG 84 1HH2 ARG 84 2.707 4.525 -9.218 676 HH12 ARG 84 2HH2 ARG 84 4.284 5.110 -8.802 677 HH21 ARG 84 1HH1 ARG 84 5.727 4.097 -11.791 678 HH22 ARG 84 2HH1 ARG 84 5.996 4.869 -10.263 679 H LEU 85 H LEU 85 -2.758 1.788 -10.591 680 HA LEU 85 HA LEU 85 -3.350 -0.855 -9.886 681 HB2 LEU 85 2HB LEU 85 -4.638 1.034 -9.015 682 HB3 LEU 85 1HB LEU 85 -5.229 1.402 -10.633 683 HG LEU 85 HG LEU 85 -6.383 -0.764 -10.733 684 HD11 LEU 85 1HD1 LEU 85 -4.938 -1.199 -8.128 685 HD12 LEU 85 2HD1 LEU 85 -5.132 -2.298 -9.493 686 HD13 LEU 85 3HD1 LEU 85 -6.482 -2.001 -8.405 687 HD21 LEU 85 3HD2 LEU 85 -7.635 1.093 -9.798 688 HD22 LEU 85 1HD2 LEU 85 -6.919 0.823 -8.208 689 HD23 LEU 85 2HD2 LEU 85 -8.029 -0.366 -8.890 690 H ALA 86 H ALA 86 -3.992 0.983 -12.847 691 HA ALA 86 HA ALA 86 -5.222 -1.346 -14.124 692 HB1 ALA 86 3HB ALA 86 -4.677 1.476 -15.047 693 HB2 ALA 86 1HB ALA 86 -6.234 0.763 -14.627 694 HB3 ALA 86 2HB ALA 86 -5.384 0.233 -16.079 695 H GLY 87 H GLY 87 -2.127 -0.133 -13.641 696 HA2 GLY 87 2HA GLY 87 -1.014 -1.982 -15.600 697 HA3 GLY 87 1HA GLY 87 -0.633 -0.281 -15.853 698 H ASP 88 H ASP 88 -0.736 -2.590 -13.141 699 HA ASP 88 HA ASP 88 0.938 -1.522 -11.309 700 HB2 ASP 88 2HB ASP 88 0.953 -4.375 -12.313 701 HB3 ASP 88 1HB ASP 88 1.804 -3.847 -10.864 702 H TYR 89 H TYR 89 2.579 -0.208 -11.929 703 HA TYR 89 HA TYR 89 4.564 -1.092 -13.878 704 HB2 TYR 89 2HB TYR 89 3.763 1.257 -13.837 705 HB3 TYR 89 1HB TYR 89 4.461 1.444 -12.228 706 HD1 TYR 89 HD1 TYR 89 5.212 0.931 -15.811 707 HD2 TYR 89 HD2 TYR 89 6.863 1.552 -11.894 708 HE1 TYR 89 HE1 TYR 89 7.429 1.396 -16.819 709 HE2 TYR 89 HE2 TYR 89 9.078 2.016 -12.901 710 HH TYR 89 HH TYR 89 10.201 1.243 -15.319 711 H VAL 90 H VAL 90 4.359 -0.394 -10.413 712 HA VAL 90 HA VAL 90 7.024 -0.597 -9.690 713 HB VAL 90 HB VAL 90 4.569 -1.574 -8.209 714 HG11 VAL 90 1HG1 VAL 90 6.112 -1.251 -6.194 715 HG12 VAL 90 2HG1 VAL 90 7.445 -1.247 -7.347 716 HG13 VAL 90 3HG1 VAL 90 6.422 -2.673 -7.189 717 HG21 VAL 90 3HG2 VAL 90 4.604 0.561 -7.136 718 HG22 VAL 90 1HG2 VAL 90 4.793 0.889 -8.857 719 HG23 VAL 90 2HG2 VAL 90 6.196 0.941 -7.790 720 H TYR 91 H TYR 91 8.480 -2.193 -9.628 721 HA TYR 91 HA TYR 91 7.587 -4.949 -10.284 722 HB2 TYR 91 2HB TYR 91 10.280 -3.617 -10.670 723 HB3 TYR 91 1HB TYR 91 9.891 -5.287 -11.087 724 HD1 TYR 91 HD2 TYR 91 8.196 -5.774 -12.855 725 HD2 TYR 91 HD1 TYR 91 9.576 -1.788 -12.044 726 HE1 TYR 91 HE2 TYR 91 7.286 -5.015 -15.034 727 HE2 TYR 91 HE1 TYR 91 8.666 -1.028 -14.221 728 HH TYR 91 HH TYR 91 7.920 -1.788 -16.265 729 H LEU 92 H LEU 92 8.537 -6.698 -9.175 730 HA LEU 92 HA LEU 92 9.949 -6.021 -6.667 731 HB2 LEU 92 2HB LEU 92 7.450 -6.481 -6.371 732 HB3 LEU 92 1HB LEU 92 7.809 -8.138 -6.838 733 HG LEU 92 HG LEU 92 9.266 -6.713 -4.591 734 HD11 LEU 92 1HD1 LEU 92 6.877 -8.559 -4.364 735 HD12 LEU 92 2HD1 LEU 92 6.834 -6.810 -4.137 736 HD13 LEU 92 3HD1 LEU 92 7.765 -7.819 -3.032 737 HD21 LEU 92 3HD2 LEU 92 9.414 -9.314 -3.944 738 HD22 LEU 92 1HD2 LEU 92 10.569 -8.572 -5.034 739 HD23 LEU 92 2HD2 LEU 92 9.233 -9.517 -5.680 740 H PHE 93 H PHE 93 11.798 -7.070 -6.514 741 HA PHE 93 HA PHE 93 12.006 -9.831 -7.537 742 HB2 PHE 93 2HB PHE 93 14.180 -9.287 -8.613 743 HB3 PHE 93 1HB PHE 93 12.820 -8.468 -9.382 744 HD1 PHE 93 HD1 PHE 93 15.731 -8.040 -7.139 745 HD2 PHE 93 HD2 PHE 93 12.548 -6.074 -9.247 746 HE1 PHE 93 HE1 PHE 93 16.800 -5.845 -6.705 747 HE2 PHE 93 HE2 PHE 93 13.616 -3.879 -8.814 748 HZ PHE 93 HZ PHE 93 15.742 -3.765 -7.542 749 H ASP 94 H ASP 94 13.544 -11.082 -6.492 750 HA ASP 94 HA ASP 94 14.314 -10.134 -3.856 751 HB2 ASP 94 2HB ASP 94 13.394 -12.427 -4.251 752 HB3 ASP 94 1HB ASP 94 14.860 -12.812 -5.153 753 H GLU 95 H GLU 95 16.600 -10.999 -3.143 754 HA GLU 95 HA GLU 95 18.519 -9.451 -4.586 755 HB2 GLU 95 2HB GLU 95 18.826 -11.430 -2.316 756 HB3 GLU 95 1HB GLU 95 20.135 -10.422 -2.938 757 HG2 GLU 95 2HG GLU 95 18.854 -8.396 -2.405 758 HG3 GLU 95 1HG GLU 95 17.516 -9.386 -1.818 759 H GLY 96 H GLY 96 17.365 -11.439 -6.267 760 HA2 GLY 96 2HA GLY 96 19.807 -12.844 -7.107 761 HA3 GLY 96 1HA GLY 96 18.368 -13.813 -6.805 762 H GLY 97 H GLY 97 17.094 -11.024 -7.796 763 HA2 GLY 97 2HA GLY 97 16.438 -10.108 -9.827 764 HA3 GLY 97 1HA GLY 97 17.578 -11.174 -10.642 765 H ASP 98 H ASP 98 15.930 -13.164 -8.658 766 HA ASP 98 HA ASP 98 14.152 -14.050 -10.822 767 HB2 ASP 98 2HB ASP 98 15.736 -15.609 -9.540 768 HB3 ASP 98 1HB ASP 98 14.628 -15.442 -8.186 769 H GLU 99 H GLU 99 12.156 -13.212 -10.830 770 HA GLU 99 HA GLU 99 10.906 -11.849 -8.749 771 HB2 GLU 99 2HB GLU 99 8.749 -12.547 -10.029 772 HB3 GLU 99 1HB GLU 99 9.948 -11.575 -10.882 773 HG2 GLU 99 2HG GLU 99 10.819 -13.473 -12.037 774 HG3 GLU 99 1HG GLU 99 9.955 -14.598 -10.996 775 H VAL 100 H VAL 100 11.273 -13.055 -6.827 776 HA VAL 100 HA VAL 100 9.230 -15.112 -6.356 777 HB VAL 100 HB VAL 100 12.198 -15.512 -5.879 778 HG11 VAL 100 1HG1 VAL 100 11.372 -17.725 -4.888 779 HG12 VAL 100 2HG1 VAL 100 9.775 -16.987 -4.808 780 HG13 VAL 100 3HG1 VAL 100 11.112 -16.297 -3.887 781 HG21 VAL 100 3HG2 VAL 100 11.518 -16.137 -8.106 782 HG22 VAL 100 1HG2 VAL 100 10.083 -16.959 -7.499 783 HG23 VAL 100 2HG2 VAL 100 11.683 -17.624 -7.173 784 H ILE 101 H ILE 101 8.320 -14.953 -4.372 785 HA ILE 101 HA ILE 101 9.015 -12.687 -2.755 786 HB ILE 101 HB ILE 101 7.130 -14.919 -1.976 787 HG12 ILE 101 2HG1 ILE 101 6.530 -14.367 -4.245 788 HG13 ILE 101 1HG1 ILE 101 5.375 -13.568 -3.182 789 HG21 ILE 101 1HG2 ILE 101 5.898 -12.942 -0.996 790 HG22 ILE 101 2HG2 ILE 101 7.287 -11.939 -1.407 791 HG23 ILE 101 3HG2 ILE 101 7.464 -13.261 -0.254 792 HD11 ILE 101 3HD1 ILE 101 5.994 -11.922 -4.777 793 HD12 ILE 101 1HD1 ILE 101 7.703 -12.336 -4.661 794 HD13 ILE 101 2HD1 ILE 101 6.902 -11.511 -3.325 795 H ALA 102 H ALA 102 10.307 -12.630 -1.016 796 HA ALA 102 HA ALA 102 10.828 -15.065 0.493 797 HB1 ALA 102 3HB ALA 102 13.398 -13.780 -0.037 798 HB2 ALA 102 1HB ALA 102 12.612 -14.249 -1.543 799 HB3 ALA 102 2HB ALA 102 12.926 -15.458 -0.299 800 HA PRO 103 HA PRO 103 11.266 -12.578 4.099 801 HB2 PRO 103 2HB PRO 103 14.190 -13.234 4.285 802 HB3 PRO 103 1HB PRO 103 12.920 -13.406 5.511 803 HG2 PRO 103 2HG PRO 103 13.869 -15.524 4.205 804 HG3 PRO 103 1HG PRO 103 12.149 -15.396 4.623 805 HD2 PRO 103 2HD PRO 103 13.472 -15.051 1.957 806 HD3 PRO 103 1HD PRO 103 11.861 -15.687 2.355 807 H ARG 104 H ARG 104 14.081 -12.227 1.931 808 HA ARG 104 HA ARG 104 14.140 -9.310 2.513 809 HB2 ARG 104 2HB ARG 104 16.339 -10.891 1.180 810 HB3 ARG 104 1HB ARG 104 16.432 -9.307 1.945 811 HG2 ARG 104 2HG ARG 104 17.243 -10.490 3.743 812 HG3 ARG 104 1HG ARG 104 15.541 -10.802 4.067 813 HD2 ARG 104 2HD ARG 104 15.765 -12.870 2.602 814 HD3 ARG 104 1HD ARG 104 17.501 -12.585 2.604 815 HE ARG 104 HE ARG 104 15.900 -13.552 4.829 816 HH11 ARG 104 1HH2 ARG 104 18.827 -12.060 3.753 817 HH12 ARG 104 2HH2 ARG 104 19.742 -12.530 5.147 818 HH21 ARG 104 1HH1 ARG 104 17.086 -14.170 6.661 819 HH22 ARG 104 2HH1 ARG 104 18.756 -13.726 6.796 820 H MET 105 H MET 105 12.391 -8.952 1.049 821 HA MET 105 HA MET 105 13.027 -9.357 -1.813 822 HB2 MET 105 2HB MET 105 10.498 -8.583 -1.952 823 HB3 MET 105 1HB MET 105 10.896 -10.240 -1.505 824 HG2 MET 105 2HG MET 105 9.209 -9.222 0.014 825 HG3 MET 105 1HG MET 105 10.670 -9.711 0.864 826 HE1 MET 105 3HE MET 105 8.477 -7.948 1.863 827 HE2 MET 105 1HE MET 105 8.159 -6.823 0.532 828 HE3 MET 105 2HE MET 105 8.819 -6.230 2.058 829 H TYR 106 H TYR 106 12.350 -7.579 -3.257 830 HA TYR 106 HA TYR 106 12.599 -4.894 -2.030 831 HB2 TYR 106 2HB TYR 106 14.814 -5.483 -2.864 832 HB3 TYR 106 1HB TYR 106 14.133 -5.932 -4.428 833 HD1 TYR 106 HD1 TYR 106 14.882 -3.115 -2.152 834 HD2 TYR 106 HD2 TYR 106 13.380 -4.269 -6.004 835 HE1 TYR 106 HE1 TYR 106 15.028 -0.760 -2.917 836 HE2 TYR 106 HE2 TYR 106 13.537 -1.921 -6.775 837 HH TYR 106 HH TYR 106 13.863 0.664 -4.710 838 H CYS 107 H CYS 107 10.755 -3.917 -2.486 839 HA CYS 107 HA CYS 107 9.541 -4.281 -5.169 840 HB2 CYS 107 2HB CYS 107 7.393 -3.869 -4.181 841 HB3 CYS 107 1HB CYS 107 8.189 -5.123 -3.233 842 HG CYS 107 HG CYS 107 8.836 -3.197 -1.485 843 H SER 108 H SER 108 9.818 -2.584 -6.438 844 HA SER 108 HA SER 108 9.077 0.049 -5.662 845 HB2 SER 108 2HB SER 108 11.356 -0.222 -4.538 846 HB3 SER 108 1HB SER 108 12.036 -0.260 -6.160 847 HG SER 108 HG SER 108 11.614 1.855 -4.840 848 H PHE 109 H PHE 109 9.881 1.671 -7.421 849 HA PHE 109 HA PHE 109 8.969 0.698 -9.926 850 HB2 PHE 109 2HB PHE 109 9.468 2.913 -10.766 851 HB3 PHE 109 1HB PHE 109 8.763 3.067 -9.157 852 HD1 PHE 109 HD2 PHE 109 10.159 3.645 -7.214 853 HD2 PHE 109 HD1 PHE 109 11.804 3.428 -11.174 854 HE1 PHE 109 HE2 PHE 109 12.182 4.852 -6.440 855 HE2 PHE 109 HE1 PHE 109 13.829 4.635 -10.401 856 HZ PHE 109 HZ PHE 109 14.017 5.348 -8.033 857 H SER 110 H SER 110 12.112 0.978 -8.461 858 HA SER 110 HA SER 110 13.725 0.921 -10.774 859 HB2 SER 110 2HB SER 110 14.180 0.029 -7.931 860 HB3 SER 110 1HB SER 110 15.422 -0.153 -9.166 861 HG SER 110 HG SER 110 15.428 2.043 -9.462 862 H ALA 111 H ALA 111 14.688 -0.767 -11.892 863 HA ALA 111 HA ALA 111 13.150 -3.224 -11.909 864 HB1 ALA 111 3HB ALA 111 14.536 -1.717 -13.855 865 HB2 ALA 111 1HB ALA 111 13.691 -3.237 -14.117 866 HB3 ALA 111 2HB ALA 111 15.413 -3.238 -13.751 867 HA PRO 112 HA PRO 112 15.811 -6.090 -9.885 868 HB2 PRO 112 2HB PRO 112 16.565 -7.343 -12.508 869 HB3 PRO 112 1HB PRO 112 15.918 -8.105 -11.041 870 HG2 PRO 112 2HG PRO 112 14.385 -7.693 -13.187 871 HG3 PRO 112 1HG PRO 112 13.742 -7.529 -11.543 872 HD2 PRO 112 2HD PRO 112 14.426 -5.388 -13.517 873 HD3 PRO 112 1HD PRO 112 13.181 -5.414 -12.251 874 H ASP 113 H ASP 113 17.228 -4.894 -12.929 875 HA ASP 113 HA ASP 113 19.922 -5.319 -12.283 876 HB2 ASP 113 2HB ASP 113 19.175 -4.813 -14.560 877 HB3 ASP 113 1HB ASP 113 18.720 -3.187 -14.048 878 H ASP 114 H ASP 114 17.917 -2.466 -11.887 879 HA ASP 114 HA ASP 114 18.143 -0.589 -10.573 880 HB2 ASP 114 2HB ASP 114 18.083 -2.318 -8.788 881 HB3 ASP 114 1HB ASP 114 19.842 -2.427 -8.870 Start of MODEL 14 1 HA2 GLY 1 2HA GLY 1 -9.557 -24.404 2.041 2 HA3 GLY 1 1HA GLY 1 -8.288 -23.458 2.819 3 H LYS 2 H LYS 2 -8.064 -24.329 4.803 4 HA LYS 2 HA LYS 2 -10.352 -25.254 6.326 5 HB2 LYS 2 2HB LYS 2 -7.372 -25.273 6.676 6 HB3 LYS 2 1HB LYS 2 -8.381 -25.506 8.101 7 HG2 LYS 2 2HG LYS 2 -8.954 -27.119 5.618 8 HG3 LYS 2 1HG LYS 2 -7.620 -27.593 6.666 9 HD2 LYS 2 2HD LYS 2 -9.157 -27.672 8.599 10 HD3 LYS 2 1HD LYS 2 -10.499 -27.214 7.551 11 HE2 LYS 2 2HE LYS 2 -10.502 -29.632 7.839 12 HE3 LYS 2 1HE LYS 2 -10.062 -29.250 6.173 13 HZ1 LYS 2 3HZ LYS 2 -8.655 -30.888 7.709 14 HZ2 LYS 2 1HZ LYS 2 -7.873 -29.429 8.075 15 HZ3 LYS 2 2HZ LYS 2 -7.961 -29.962 6.465 16 H LYS 3 H LYS 3 -11.630 -23.700 7.100 17 HA LYS 3 HA LYS 3 -10.483 -21.245 8.225 18 HB2 LYS 3 2HB LYS 3 -13.352 -22.117 7.788 19 HB3 LYS 3 1HB LYS 3 -12.857 -20.547 8.427 20 HG2 LYS 3 2HG LYS 3 -11.566 -20.124 6.355 21 HG3 LYS 3 1HG LYS 3 -12.111 -21.674 5.713 22 HD2 LYS 3 2HD LYS 3 -14.456 -20.920 5.882 23 HD3 LYS 3 1HD LYS 3 -13.908 -19.364 6.507 24 HE2 LYS 3 2HE LYS 3 -12.639 -18.981 4.415 25 HE3 LYS 3 1HE LYS 3 -13.226 -20.521 3.788 26 HZ1 LYS 3 3HZ LYS 3 -14.477 -18.066 3.624 27 HZ2 LYS 3 1HZ LYS 3 -15.377 -18.954 4.754 28 HZ3 LYS 3 2HZ LYS 3 -15.123 -19.578 3.194 29 H VAL 4 H VAL 4 -11.335 -24.338 9.252 30 HA VAL 4 HA VAL 4 -12.476 -23.799 11.785 31 HB VAL 4 HB VAL 4 -10.842 -26.187 10.895 32 HG11 VAL 4 1HG1 VAL 4 -10.972 -26.204 13.284 33 HG12 VAL 4 2HG1 VAL 4 -12.241 -27.294 12.726 34 HG13 VAL 4 3HG1 VAL 4 -12.652 -25.666 13.264 35 HG21 VAL 4 3HG2 VAL 4 -13.851 -25.864 11.022 36 HG22 VAL 4 1HG2 VAL 4 -12.943 -27.191 10.296 37 HG23 VAL 4 2HG2 VAL 4 -12.921 -25.592 9.548 38 H GLU 5 H GLU 5 -9.323 -23.455 10.558 39 HA GLU 5 HA GLU 5 -7.319 -22.863 11.508 40 HB2 GLU 5 2HB GLU 5 -9.186 -21.952 13.707 41 HB3 GLU 5 1HB GLU 5 -7.460 -21.601 13.665 42 HG2 GLU 5 2HG GLU 5 -7.708 -20.426 11.552 43 HG3 GLU 5 1HG GLU 5 -9.416 -20.857 11.479 44 H PHE 6 H PHE 6 -7.219 -25.365 11.609 45 HA PHE 6 HA PHE 6 -7.435 -27.268 13.247 46 HB2 PHE 6 2HB PHE 6 -4.671 -26.099 12.875 47 HB3 PHE 6 1HB PHE 6 -5.002 -27.734 13.446 48 HD1 PHE 6 HD2 PHE 6 -6.646 -29.150 11.934 49 HD2 PHE 6 HD1 PHE 6 -4.404 -25.748 10.571 50 HE1 PHE 6 HE2 PHE 6 -6.866 -29.943 9.596 51 HE2 PHE 6 HE1 PHE 6 -4.626 -26.540 8.232 52 HZ PHE 6 HZ PHE 6 -5.851 -28.641 7.746 53 H ASN 7 H ASN 7 -8.347 -27.002 15.241 54 HA ASN 7 HA ASN 7 -8.525 -26.589 17.486 55 HB2 ASN 7 2HB ASN 7 -5.551 -26.992 17.156 56 HB3 ASN 7 1HB ASN 7 -6.301 -26.740 18.732 57 HD21 ASN 7 1HD2 ASN 7 -4.991 -29.210 17.981 58 HD22 ASN 7 2HD2 ASN 7 -6.175 -30.426 17.948 59 H ASP 8 H ASP 8 -7.841 -25.085 19.251 60 HA ASP 8 HA ASP 8 -8.224 -22.445 18.605 61 HB2 ASP 8 2HB ASP 8 -6.641 -23.605 20.902 62 HB3 ASP 8 1HB ASP 8 -7.060 -21.897 20.773 63 H LYS 9 H LYS 9 -6.902 -20.630 18.272 64 HA LYS 9 HA LYS 9 -4.920 -20.701 16.470 65 HB2 LYS 9 2HB LYS 9 -3.998 -18.572 17.792 66 HB3 LYS 9 1HB LYS 9 -5.557 -18.530 16.969 67 HG2 LYS 9 2HG LYS 9 -6.738 -18.962 19.014 68 HG3 LYS 9 1HG LYS 9 -5.241 -19.320 19.873 69 HD2 LYS 9 2HD LYS 9 -4.495 -16.960 19.410 70 HD3 LYS 9 1HD LYS 9 -6.102 -16.639 18.758 71 HE2 LYS 9 2HE LYS 9 -7.057 -17.428 20.959 72 HE3 LYS 9 1HE LYS 9 -5.408 -17.470 21.584 73 HZ1 LYS 9 3HZ LYS 9 -5.771 -15.342 22.090 74 HZ2 LYS 9 1HZ LYS 9 -7.116 -15.214 21.064 75 HZ3 LYS 9 2HZ LYS 9 -5.548 -15.035 20.433 76 HA PRO 10 HA PRO 10 -1.322 -22.575 18.203 77 HB2 PRO 10 2HB PRO 10 0.687 -21.165 16.961 78 HB3 PRO 10 1HB PRO 10 -0.294 -22.399 16.146 79 HG2 PRO 10 2HG PRO 10 -0.575 -19.423 16.088 80 HG3 PRO 10 1HG PRO 10 -0.723 -20.597 14.766 81 HD2 PRO 10 2HD PRO 10 -2.902 -19.524 15.980 82 HD3 PRO 10 1HD PRO 10 -2.899 -21.184 15.349 83 H LYS 11 H LYS 11 -0.008 -19.383 17.792 84 HA LYS 11 HA LYS 11 0.983 -17.902 19.243 85 HB2 LYS 11 2HB LYS 11 -1.518 -18.089 20.112 86 HB3 LYS 11 1HB LYS 11 -0.769 -18.911 21.476 87 HG2 LYS 11 2HG LYS 11 -0.668 -16.714 22.233 88 HG3 LYS 11 1HG LYS 11 0.888 -16.820 21.416 89 HD2 LYS 11 2HD LYS 11 -0.062 -15.804 19.402 90 HD3 LYS 11 1HD LYS 11 -1.656 -15.759 20.153 91 HE2 LYS 11 2HE LYS 11 -0.686 -13.566 20.401 92 HE3 LYS 11 1HE LYS 11 -0.660 -14.339 21.988 93 HZ1 LYS 11 3HZ LYS 11 1.522 -13.497 20.342 94 HZ2 LYS 11 1HZ LYS 11 1.680 -15.112 20.831 95 HZ3 LYS 11 2HZ LYS 11 1.501 -13.889 21.996 96 H VAL 12 H VAL 12 3.020 -18.410 19.753 97 HA VAL 12 HA VAL 12 4.823 -19.261 20.895 98 HB VAL 12 HB VAL 12 2.893 -20.460 22.883 99 HG11 VAL 12 1HG1 VAL 12 4.705 -20.280 24.405 100 HG12 VAL 12 2HG1 VAL 12 5.608 -19.218 23.325 101 HG13 VAL 12 3HG1 VAL 12 5.407 -20.923 22.920 102 HG21 VAL 12 3HG2 VAL 12 2.112 -18.238 22.787 103 HG22 VAL 12 1HG2 VAL 12 3.716 -17.583 22.463 104 HG23 VAL 12 2HG2 VAL 12 3.310 -18.177 24.075 105 H ARG 13 H ARG 13 2.069 -21.498 20.753 106 HA ARG 13 HA ARG 13 3.469 -23.910 20.835 107 HB2 ARG 13 2HB ARG 13 0.889 -23.202 19.418 108 HB3 ARG 13 1HB ARG 13 1.478 -24.848 19.655 109 HG2 ARG 13 2HG ARG 13 1.412 -24.570 22.074 110 HG3 ARG 13 1HG ARG 13 0.953 -22.877 21.897 111 HD2 ARG 13 2HD ARG 13 -1.042 -24.187 22.361 112 HD3 ARG 13 1HD ARG 13 -1.111 -23.604 20.700 113 HE ARG 13 HE ARG 13 0.089 -26.181 20.787 114 HH11 ARG 13 1HH2 ARG 13 -2.926 -24.513 21.115 115 HH12 ARG 13 2HH2 ARG 13 -3.884 -25.857 20.589 116 HH21 ARG 13 1HH1 ARG 13 -1.162 -27.949 20.098 117 HH22 ARG 13 2HH1 ARG 13 -2.887 -27.801 20.013 118 H LYS 14 H LYS 14 3.021 -25.380 18.650 119 HA LYS 14 HA LYS 14 5.149 -24.754 16.937 120 HB2 LYS 14 2HB LYS 14 2.764 -26.567 16.526 121 HB3 LYS 14 1HB LYS 14 4.148 -26.499 15.434 122 HG2 LYS 14 2HG LYS 14 5.655 -27.097 17.287 123 HG3 LYS 14 1HG LYS 14 4.281 -27.151 18.393 124 HD2 LYS 14 2HD LYS 14 3.257 -28.934 16.992 125 HD3 LYS 14 1HD LYS 14 4.687 -28.913 15.959 126 HE2 LYS 14 2HE LYS 14 4.750 -29.458 18.940 127 HE3 LYS 14 1HE LYS 14 4.755 -30.713 17.703 128 HZ1 LYS 14 3HZ LYS 14 6.975 -29.738 18.682 129 HZ2 LYS 14 1HZ LYS 14 6.727 -28.567 17.481 130 HZ3 LYS 14 2HZ LYS 14 6.855 -30.208 17.055 131 H ILE 15 H ILE 15 5.320 -23.641 15.073 132 HA ILE 15 HA ILE 15 3.233 -21.805 14.410 133 HB ILE 15 HB ILE 15 4.952 -21.413 12.384 134 HG12 ILE 15 2HG1 ILE 15 6.745 -22.642 14.487 135 HG13 ILE 15 1HG1 ILE 15 6.154 -23.574 13.110 136 HG21 ILE 15 1HG2 ILE 15 4.488 -19.810 14.179 137 HG22 ILE 15 2HG2 ILE 15 6.222 -19.911 13.875 138 HG23 ILE 15 3HG2 ILE 15 5.524 -20.718 15.278 139 HD11 ILE 15 3HD1 ILE 15 7.634 -20.942 12.855 140 HD12 ILE 15 1HD1 ILE 15 7.187 -22.039 11.549 141 HD13 ILE 15 2HD1 ILE 15 8.405 -22.523 12.729 142 HA PRO 16 HA PRO 16 1.158 -24.117 11.285 143 HB2 PRO 16 2HB PRO 16 0.332 -22.131 9.579 144 HB3 PRO 16 1HB PRO 16 -0.393 -22.402 11.176 145 HG2 PRO 16 2HG PRO 16 1.663 -20.395 10.351 146 HG3 PRO 16 1HG PRO 16 0.257 -20.197 11.415 147 HD2 PRO 16 2HD PRO 16 2.787 -20.527 12.389 148 HD3 PRO 16 1HD PRO 16 1.345 -21.112 13.250 149 H SER 17 H SER 17 1.200 -24.721 8.996 150 HA SER 17 HA SER 17 3.834 -24.933 7.959 151 HB2 SER 17 2HB SER 17 2.023 -26.592 7.538 152 HB3 SER 17 1HB SER 17 1.213 -25.404 6.519 153 HG SER 17 HG SER 17 3.313 -25.327 5.371 154 H THR 18 H THR 18 2.187 -22.218 8.188 155 HA THR 18 HA THR 18 2.852 -21.192 5.488 156 HB THR 18 HB THR 18 1.270 -19.413 5.915 157 HG1 THR 18 HG1 THR 18 1.474 -20.422 8.490 158 HG21 THR 18 3HG2 THR 18 0.402 -21.592 5.100 159 HG22 THR 18 1HG2 THR 18 -0.789 -20.726 6.070 160 HG23 THR 18 2HG2 THR 18 0.105 -22.076 6.770 161 H ARG 19 H ARG 19 3.555 -18.858 5.510 162 HA ARG 19 HA ARG 19 5.344 -18.294 7.816 163 HB2 ARG 19 2HB ARG 19 5.906 -18.016 4.859 164 HB3 ARG 19 1HB ARG 19 6.909 -17.300 6.120 165 HG2 ARG 19 2HG ARG 19 7.302 -19.520 7.088 166 HG3 ARG 19 1HG ARG 19 6.265 -20.249 5.861 167 HD2 ARG 19 2HD ARG 19 7.781 -19.415 4.096 168 HD3 ARG 19 1HD ARG 19 8.826 -18.720 5.332 169 HE ARG 19 HE ARG 19 8.511 -21.435 5.935 170 HH11 ARG 19 1HH2 ARG 19 9.798 -19.406 3.447 171 HH12 ARG 19 2HH2 ARG 19 11.019 -20.535 2.966 172 HH21 ARG 19 1HH1 ARG 19 10.108 -22.924 5.308 173 HH22 ARG 19 2HH1 ARG 19 11.194 -22.527 4.019 174 H LYS 20 H LYS 20 6.123 -15.920 7.664 175 HA LYS 20 HA LYS 20 4.051 -14.117 6.617 176 HB2 LYS 20 2HB LYS 20 4.913 -14.084 9.520 177 HB3 LYS 20 1HB LYS 20 3.741 -13.011 8.748 178 HG2 LYS 20 2HG LYS 20 2.341 -15.012 8.206 179 HG3 LYS 20 1HG LYS 20 3.470 -16.004 9.124 180 HD2 LYS 20 2HD LYS 20 3.032 -14.669 11.139 181 HD3 LYS 20 1HD LYS 20 1.900 -13.666 10.229 182 HE2 LYS 20 2HE LYS 20 0.512 -15.649 9.760 183 HE3 LYS 20 1HE LYS 20 1.636 -16.652 10.677 184 HZ1 LYS 20 3HZ LYS 20 0.685 -14.307 12.071 185 HZ2 LYS 20 1HZ LYS 20 0.853 -15.904 12.620 186 HZ3 LYS 20 2HZ LYS 20 -0.520 -15.455 11.722 187 H ILE 21 H ILE 21 4.807 -12.076 6.156 188 HA ILE 21 HA ILE 21 7.608 -11.418 6.838 189 HB ILE 21 HB ILE 21 7.991 -10.652 4.538 190 HG12 ILE 21 2HG1 ILE 21 5.333 -11.978 3.922 191 HG13 ILE 21 1HG1 ILE 21 5.561 -10.237 4.014 192 HG21 ILE 21 1HG2 ILE 21 8.080 -12.919 3.491 193 HG22 ILE 21 2HG2 ILE 21 7.084 -13.533 4.809 194 HG23 ILE 21 3HG2 ILE 21 8.696 -12.908 5.141 195 HD11 ILE 21 3HD1 ILE 21 7.012 -12.100 2.122 196 HD12 ILE 21 1HD1 ILE 21 7.246 -10.356 2.228 197 HD13 ILE 21 2HD1 ILE 21 5.699 -11.004 1.686 198 H LYS 22 H LYS 22 8.069 -9.258 7.031 199 HA LYS 22 HA LYS 22 5.713 -7.465 7.136 200 HB2 LYS 22 2HB LYS 22 6.999 -6.140 8.707 201 HB3 LYS 22 1HB LYS 22 6.919 -7.811 9.260 202 HG2 LYS 22 2HG LYS 22 9.181 -8.103 8.000 203 HG3 LYS 22 1HG LYS 22 9.253 -6.340 8.034 204 HD2 LYS 22 2HD LYS 22 8.942 -8.128 10.462 205 HD3 LYS 22 1HD LYS 22 10.425 -7.304 9.979 206 HE2 LYS 22 2HE LYS 22 9.092 -5.130 10.085 207 HE3 LYS 22 1HE LYS 22 7.827 -6.059 10.892 208 HZ1 LYS 22 3HZ LYS 22 9.855 -4.879 12.165 209 HZ2 LYS 22 1HZ LYS 22 10.501 -6.432 11.939 210 HZ3 LYS 22 2HZ LYS 22 9.028 -6.239 12.760 211 H ILE 23 H ILE 23 5.539 -6.022 5.568 212 HA ILE 23 HA ILE 23 7.872 -5.452 3.877 213 HB ILE 23 HB ILE 23 5.091 -4.370 3.420 214 HG12 ILE 23 2HG1 ILE 23 4.652 -6.690 3.868 215 HG13 ILE 23 1HG1 ILE 23 4.667 -6.503 2.116 216 HG21 ILE 23 1HG2 ILE 23 7.207 -5.412 1.511 217 HG22 ILE 23 2HG2 ILE 23 7.059 -3.719 1.983 218 HG23 ILE 23 3HG2 ILE 23 5.753 -4.504 1.096 219 HD11 ILE 23 3HD1 ILE 23 7.242 -7.118 2.417 220 HD12 ILE 23 1HD1 ILE 23 6.011 -8.375 2.337 221 HD13 ILE 23 2HD1 ILE 23 6.652 -7.877 3.900 222 H THR 24 H THR 24 9.101 -3.787 4.387 223 HA THR 24 HA THR 24 7.835 -1.315 5.439 224 HB THR 24 HB THR 24 9.932 -0.975 6.757 225 HG1 THR 24 HG1 THR 24 11.047 -3.095 7.085 226 HG21 THR 24 3HG2 THR 24 9.374 -2.727 8.470 227 HG22 THR 24 1HG2 THR 24 8.294 -3.466 7.290 228 HG23 THR 24 2HG2 THR 24 7.972 -1.837 7.882 229 H PHE 25 H PHE 25 7.854 -0.123 3.601 230 HA PHE 25 HA PHE 25 10.417 0.866 2.706 231 HB2 PHE 25 2HB PHE 25 9.908 -1.304 1.376 232 HB3 PHE 25 1HB PHE 25 8.657 -0.354 0.573 233 HD1 PHE 25 HD2 PHE 25 9.379 1.943 -0.424 234 HD2 PHE 25 HD1 PHE 25 12.140 -1.180 0.626 235 HE1 PHE 25 HE2 PHE 25 11.099 2.969 -1.886 236 HE2 PHE 25 HE1 PHE 25 13.857 -0.151 -0.833 237 HZ PHE 25 HZ PHE 25 13.338 1.923 -2.090 238 H ALA 26 H ALA 26 9.934 2.963 2.956 239 HA ALA 26 HA ALA 26 7.587 4.044 1.501 240 HB1 ALA 26 3HB ALA 26 6.851 4.047 3.751 241 HB2 ALA 26 1HB ALA 26 7.393 5.694 3.441 242 HB3 ALA 26 2HB ALA 26 8.420 4.587 4.350 243 H LEU 27 H LEU 27 7.904 5.939 0.476 244 HA LEU 27 HA LEU 27 10.614 6.772 0.005 245 HB2 LEU 27 2HB LEU 27 7.913 7.640 -0.987 246 HB3 LEU 27 1HB LEU 27 9.322 8.653 -1.303 247 HG LEU 27 HG LEU 27 10.473 6.748 -2.348 248 HD11 LEU 27 1HD1 LEU 27 7.935 5.309 -1.557 249 HD12 LEU 27 2HD1 LEU 27 9.601 4.862 -1.191 250 HD13 LEU 27 3HD1 LEU 27 8.988 4.704 -2.837 251 HD21 LEU 27 3HD2 LEU 27 7.668 7.151 -3.434 252 HD22 LEU 27 1HD2 LEU 27 9.061 6.586 -4.354 253 HD23 LEU 27 2HD2 LEU 27 9.032 8.232 -3.722 254 H ASP 28 H ASP 28 7.837 8.131 1.728 255 HA ASP 28 HA ASP 28 9.656 10.109 2.993 256 HB2 ASP 28 2HB ASP 28 6.829 10.475 2.000 257 HB3 ASP 28 1HB ASP 28 7.607 11.590 3.120 258 H ALA 29 H ALA 29 8.249 11.116 4.934 259 HA ALA 29 HA ALA 29 8.072 9.039 6.864 260 HB1 ALA 29 3HB ALA 29 8.702 11.384 7.392 261 HB2 ALA 29 1HB ALA 29 7.382 10.793 8.402 262 HB3 ALA 29 2HB ALA 29 7.042 11.878 7.053 263 H THR 30 H THR 30 5.673 10.830 5.003 264 HA THR 30 HA THR 30 3.363 10.033 6.380 265 HB THR 30 HB THR 30 2.204 10.993 4.629 266 HG1 THR 30 HG1 THR 30 4.035 10.273 2.652 267 HG21 THR 30 3HG2 THR 30 4.917 11.834 3.626 268 HG22 THR 30 1HG2 THR 30 4.324 12.387 5.193 269 HG23 THR 30 2HG2 THR 30 3.436 12.784 3.722 270 H PHE 31 H PHE 31 4.873 8.576 3.503 271 HA PHE 31 HA PHE 31 3.120 6.339 3.460 272 HB2 PHE 31 2HB PHE 31 5.809 6.843 2.183 273 HB3 PHE 31 1HB PHE 31 4.887 5.364 1.919 274 HD1 PHE 31 HD2 PHE 31 2.748 5.410 0.711 275 HD2 PHE 31 HD1 PHE 31 5.061 8.979 1.304 276 HE1 PHE 31 HE2 PHE 31 1.392 6.575 -1.005 277 HE2 PHE 31 HE1 PHE 31 3.708 10.143 -0.414 278 HZ PHE 31 HZ PHE 31 1.870 8.942 -1.569 279 H ASP 32 H ASP 32 5.665 7.168 5.483 280 HA ASP 32 HA ASP 32 6.661 4.497 6.009 281 HB2 ASP 32 2HB ASP 32 7.933 6.709 6.330 282 HB3 ASP 32 1HB ASP 32 7.008 6.877 7.819 283 H SER 33 H SER 33 4.757 6.853 7.895 284 HA SER 33 HA SER 33 4.092 4.969 9.933 285 HB2 SER 33 2HB SER 33 2.466 6.694 10.659 286 HB3 SER 33 1HB SER 33 4.082 7.349 10.410 287 HG SER 33 HG SER 33 1.855 7.469 8.651 288 H VAL 34 H VAL 34 2.534 6.028 6.954 289 HA VAL 34 HA VAL 34 0.004 4.862 7.435 290 HB VAL 34 HB VAL 34 1.466 5.474 4.863 291 HG11 VAL 34 1HG1 VAL 34 -0.903 5.384 3.903 292 HG12 VAL 34 2HG1 VAL 34 -1.362 4.534 5.379 293 HG13 VAL 34 3HG1 VAL 34 -0.165 3.829 4.292 294 HG21 VAL 34 3HG2 VAL 34 -0.891 6.937 6.049 295 HG22 VAL 34 1HG2 VAL 34 0.283 7.514 4.869 296 HG23 VAL 34 2HG2 VAL 34 0.751 7.318 6.558 297 H LEU 35 H LEU 35 2.854 3.623 5.640 298 HA LEU 35 HA LEU 35 1.651 1.111 5.061 299 HB2 LEU 35 2HB LEU 35 4.425 2.218 4.999 300 HB3 LEU 35 1HB LEU 35 4.236 0.482 4.882 301 HG LEU 35 HG LEU 35 4.287 1.731 2.658 302 HD11 LEU 35 1HD1 LEU 35 3.071 -0.575 3.254 303 HD12 LEU 35 2HD1 LEU 35 2.902 0.164 1.669 304 HD13 LEU 35 3HD1 LEU 35 1.625 0.354 2.864 305 HD21 LEU 35 3HD2 LEU 35 2.524 3.119 1.994 306 HD22 LEU 35 1HD2 LEU 35 2.699 3.571 3.681 307 HD23 LEU 35 2HD2 LEU 35 1.414 2.479 3.199 308 H SER 36 H SER 36 3.754 2.199 7.694 309 HA SER 36 HA SER 36 4.088 -0.337 8.889 310 HB2 SER 36 2HB SER 36 4.770 0.913 10.873 311 HB3 SER 36 1HB SER 36 5.460 1.643 9.428 312 HG SER 36 HG SER 36 3.202 2.818 9.645 313 H LYS 37 H LYS 37 1.712 2.246 9.467 314 HA LYS 37 HA LYS 37 0.334 0.882 11.549 315 HB2 LYS 37 2HB LYS 37 0.213 3.337 11.168 316 HB3 LYS 37 1HB LYS 37 -0.716 3.034 9.701 317 HG2 LYS 37 2HG LYS 37 -2.455 1.895 11.013 318 HG3 LYS 37 1HG LYS 37 -1.523 2.147 12.488 319 HD2 LYS 37 2HD LYS 37 -2.545 4.369 10.691 320 HD3 LYS 37 1HD LYS 37 -3.331 3.845 12.181 321 HE2 LYS 37 2HE LYS 37 -2.046 5.563 13.045 322 HE3 LYS 37 1HE LYS 37 -0.847 4.277 13.158 323 HZ1 LYS 37 3HZ LYS 37 0.377 5.174 11.537 324 HZ2 LYS 37 1HZ LYS 37 -0.494 6.595 11.847 325 HZ3 LYS 37 2HZ LYS 37 -0.970 5.569 10.582 326 H ALA 38 H ALA 38 -0.321 1.259 8.074 327 HA ALA 38 HA ALA 38 -2.660 -0.408 8.154 328 HB1 ALA 38 3HB ALA 38 -1.064 0.362 5.708 329 HB2 ALA 38 1HB ALA 38 -2.213 1.450 6.483 330 HB3 ALA 38 2HB ALA 38 -2.769 -0.075 5.794 331 H CYS 39 H CYS 39 0.186 -0.875 6.078 332 HA CYS 39 HA CYS 39 -0.149 -3.755 6.235 333 HB2 CYS 39 2HB CYS 39 0.411 -2.942 4.079 334 HB3 CYS 39 1HB CYS 39 1.719 -1.946 4.703 335 HG CYS 39 HG CYS 39 1.946 -5.048 4.956 336 H SER 40 H SER 40 0.265 -3.677 8.628 337 HA SER 40 HA SER 40 2.953 -3.195 9.532 338 HB2 SER 40 2HB SER 40 2.148 -4.182 11.656 339 HB3 SER 40 1HB SER 40 1.088 -2.902 11.069 340 HG SER 40 HG SER 40 0.736 -5.703 10.714 341 H GLU 41 H GLU 41 1.173 -5.900 8.274 342 HA GLU 41 HA GLU 41 3.511 -7.455 7.872 343 HB2 GLU 41 2HB GLU 41 3.206 -7.734 10.360 344 HB3 GLU 41 1HB GLU 41 1.671 -8.524 10.016 345 HG2 GLU 41 2HG GLU 41 2.814 -10.225 8.675 346 HG3 GLU 41 1HG GLU 41 4.360 -9.420 8.941 347 H PHE 42 H PHE 42 3.108 -9.291 6.600 348 HA PHE 42 HA PHE 42 0.287 -9.781 5.840 349 HB2 PHE 42 2HB PHE 42 2.591 -8.976 4.115 350 HB3 PHE 42 1HB PHE 42 1.520 -10.214 3.464 351 HD1 PHE 42 HD2 PHE 42 -1.082 -9.695 3.905 352 HD2 PHE 42 HD1 PHE 42 2.027 -6.749 3.617 353 HE1 PHE 42 HE2 PHE 42 -2.767 -7.983 3.303 354 HE2 PHE 42 HE1 PHE 42 0.336 -5.031 3.011 355 HZ PHE 42 HZ PHE 42 -2.058 -5.650 2.858 356 H GLU 43 H GLU 43 -0.228 -11.850 5.252 357 HA GLU 43 HA GLU 43 1.428 -13.908 6.373 358 HB2 GLU 43 2HB GLU 43 -1.179 -14.019 4.850 359 HB3 GLU 43 1HB GLU 43 -0.392 -15.421 5.573 360 HG2 GLU 43 2HG GLU 43 -0.512 -14.368 7.788 361 HG3 GLU 43 1HG GLU 43 -1.266 -12.941 7.080 362 H VAL 44 H VAL 44 1.763 -15.956 5.080 363 HA VAL 44 HA VAL 44 2.326 -15.513 2.232 364 HB VAL 44 HB VAL 44 4.447 -16.319 4.228 365 HG11 VAL 44 1HG1 VAL 44 5.888 -16.185 2.101 366 HG12 VAL 44 2HG1 VAL 44 4.369 -16.264 1.208 367 HG13 VAL 44 3HG1 VAL 44 4.841 -17.597 2.262 368 HG21 VAL 44 3HG2 VAL 44 3.955 -13.855 2.548 369 HG22 VAL 44 1HG2 VAL 44 5.545 -14.242 3.204 370 HG23 VAL 44 2HG2 VAL 44 4.189 -13.958 4.292 371 H ASP 45 H ASP 45 1.912 -17.270 1.057 372 HA ASP 45 HA ASP 45 2.078 -19.941 2.271 373 HB2 ASP 45 2HB ASP 45 -0.276 -19.002 2.553 374 HB3 ASP 45 1HB ASP 45 -0.408 -19.072 0.795 375 H LYS 46 H LYS 46 2.349 -21.604 0.776 376 HA LYS 46 HA LYS 46 3.577 -20.833 -1.697 377 HB2 LYS 46 2HB LYS 46 3.869 -23.254 -2.031 378 HB3 LYS 46 1HB LYS 46 4.370 -22.769 -0.412 379 HG2 LYS 46 2HG LYS 46 2.114 -23.441 0.435 380 HG3 LYS 46 1HG LYS 46 1.726 -24.039 -1.179 381 HD2 LYS 46 2HD LYS 46 3.617 -25.608 -1.067 382 HD3 LYS 46 1HD LYS 46 4.038 -24.998 0.534 383 HE2 LYS 46 2HE LYS 46 2.682 -27.131 0.556 384 HE3 LYS 46 1HE LYS 46 1.968 -25.802 1.470 385 HZ1 LYS 46 3HZ LYS 46 0.296 -26.827 0.115 386 HZ2 LYS 46 1HZ LYS 46 1.242 -26.648 -1.281 387 HZ3 LYS 46 2HZ LYS 46 0.615 -25.276 -0.499 388 H ASP 47 H ASP 47 0.603 -20.350 -1.198 389 HA ASP 47 HA ASP 47 -0.406 -21.653 -3.676 390 HB2 ASP 47 2HB ASP 47 -1.461 -22.405 -1.481 391 HB3 ASP 47 1HB ASP 47 -2.120 -20.773 -1.356 392 H VAL 48 H VAL 48 0.891 -18.936 -2.900 393 HA VAL 48 HA VAL 48 -1.060 -17.290 -4.398 394 HB VAL 48 HB VAL 48 -0.814 -15.447 -2.949 395 HG11 VAL 48 1HG1 VAL 48 -1.541 -16.314 -0.781 396 HG12 VAL 48 2HG1 VAL 48 -0.895 -17.906 -1.180 397 HG13 VAL 48 3HG1 VAL 48 -2.265 -17.260 -2.083 398 HG21 VAL 48 3HG2 VAL 48 1.593 -16.945 -1.926 399 HG22 VAL 48 1HG2 VAL 48 0.798 -15.775 -0.872 400 HG23 VAL 48 2HG2 VAL 48 1.457 -15.261 -2.421 401 H THR 49 H THR 49 -0.080 -15.431 -5.417 402 HA THR 49 HA THR 49 2.786 -15.862 -6.073 403 HB THR 49 HB THR 49 2.300 -15.042 -8.307 404 HG1 THR 49 HG1 THR 49 -0.095 -14.948 -8.745 405 HG21 THR 49 3HG2 THR 49 0.323 -17.201 -7.539 406 HG22 THR 49 1HG2 THR 49 2.047 -17.474 -7.788 407 HG23 THR 49 2HG2 THR 49 1.034 -16.943 -9.131 408 H LEU 50 H LEU 50 4.084 -14.185 -5.880 409 HA LEU 50 HA LEU 50 3.688 -11.971 -4.394 410 HB2 LEU 50 2HB LEU 50 5.607 -10.966 -5.484 411 HB3 LEU 50 1HB LEU 50 5.870 -12.688 -5.307 412 HG LEU 50 HG LEU 50 6.610 -12.151 -7.498 413 HD11 LEU 50 1HD1 LEU 50 5.119 -14.182 -7.272 414 HD12 LEU 50 2HD1 LEU 50 5.285 -13.543 -8.892 415 HD13 LEU 50 3HD1 LEU 50 3.833 -13.223 -7.990 416 HD21 LEU 50 3HD2 LEU 50 5.759 -10.562 -8.872 417 HD22 LEU 50 1HD2 LEU 50 4.907 -9.992 -7.444 418 HD23 LEU 50 2HD2 LEU 50 4.094 -11.038 -8.600 419 H ASP 51 H ASP 51 2.332 -12.555 -7.468 420 HA ASP 51 HA ASP 51 1.954 -9.886 -8.367 421 HB2 ASP 51 2HB ASP 51 1.789 -11.815 -9.875 422 HB3 ASP 51 1HB ASP 51 0.388 -12.405 -8.985 423 H GLU 52 H GLU 52 -0.170 -12.191 -6.704 424 HA GLU 52 HA GLU 52 -2.324 -10.366 -6.365 425 HB2 GLU 52 2HB GLU 52 -1.604 -12.924 -4.915 426 HB3 GLU 52 1HB GLU 52 -3.104 -12.032 -4.657 427 HG2 GLU 52 2HG GLU 52 -3.724 -12.301 -6.993 428 HG3 GLU 52 1HG GLU 52 -2.182 -13.076 -7.348 429 H LEU 53 H LEU 53 0.516 -11.222 -4.463 430 HA LEU 53 HA LEU 53 -0.217 -9.944 -2.060 431 HB2 LEU 53 2HB LEU 53 1.719 -11.477 -2.252 432 HB3 LEU 53 1HB LEU 53 2.550 -10.284 -3.246 433 HG LEU 53 HG LEU 53 2.450 -8.664 -1.363 434 HD11 LEU 53 1HD1 LEU 53 0.949 -10.935 -0.085 435 HD12 LEU 53 2HD1 LEU 53 0.619 -9.204 -0.027 436 HD13 LEU 53 3HD1 LEU 53 1.931 -9.879 0.930 437 HD21 LEU 53 3HD2 LEU 53 4.056 -9.913 0.134 438 HD22 LEU 53 1HD2 LEU 53 4.460 -9.982 -1.582 439 HD23 LEU 53 2HD2 LEU 53 3.700 -11.367 -0.800 440 H LEU 54 H LEU 54 1.540 -8.766 -4.918 441 HA LEU 54 HA LEU 54 2.021 -6.165 -3.911 442 HB2 LEU 54 2HB LEU 54 2.883 -7.469 -6.096 443 HB3 LEU 54 1HB LEU 54 1.578 -6.565 -6.853 444 HG LEU 54 HG LEU 54 3.601 -5.247 -7.023 445 HD11 LEU 54 1HD1 LEU 54 1.341 -4.179 -6.318 446 HD12 LEU 54 2HD1 LEU 54 2.803 -3.208 -6.171 447 HD13 LEU 54 3HD1 LEU 54 2.102 -3.967 -4.743 448 HD21 LEU 54 3HD2 LEU 54 4.388 -6.458 -4.663 449 HD22 LEU 54 1HD2 LEU 54 3.998 -4.831 -4.107 450 HD23 LEU 54 2HD2 LEU 54 5.182 -5.071 -5.389 451 H ASP 55 H ASP 55 -0.627 -7.509 -5.850 452 HA ASP 55 HA ASP 55 -2.019 -5.079 -6.202 453 HB2 ASP 55 2HB ASP 55 -2.919 -7.955 -6.160 454 HB3 ASP 55 1HB ASP 55 -4.013 -6.620 -6.515 455 H VAL 56 H VAL 56 -2.201 -7.560 -3.667 456 HA VAL 56 HA VAL 56 -4.376 -6.380 -2.268 457 HB VAL 56 HB VAL 56 -2.236 -8.336 -1.415 458 HG11 VAL 56 1HG1 VAL 56 -3.907 -8.773 0.487 459 HG12 VAL 56 2HG1 VAL 56 -4.621 -7.216 0.070 460 HG13 VAL 56 3HG1 VAL 56 -2.945 -7.300 0.613 461 HG21 VAL 56 3HG2 VAL 56 -3.895 -9.996 -1.781 462 HG22 VAL 56 1HG2 VAL 56 -4.037 -8.921 -3.171 463 HG23 VAL 56 2HG2 VAL 56 -5.193 -8.804 -1.846 464 H VAL 57 H VAL 57 -0.861 -6.252 -1.821 465 HA VAL 57 HA VAL 57 -0.841 -4.664 0.490 466 HB VAL 57 HB VAL 57 1.148 -4.905 -1.776 467 HG11 VAL 57 1HG1 VAL 57 1.682 -2.824 -0.759 468 HG12 VAL 57 2HG1 VAL 57 2.744 -3.988 0.036 469 HG13 VAL 57 3HG1 VAL 57 1.288 -3.419 0.854 470 HG21 VAL 57 3HG2 VAL 57 0.498 -6.875 -0.183 471 HG22 VAL 57 1HG2 VAL 57 1.431 -5.986 1.023 472 HG23 VAL 57 2HG2 VAL 57 2.205 -6.530 -0.461 473 H LEU 58 H LEU 58 -0.759 -3.733 -2.945 474 HA LEU 58 HA LEU 58 -0.552 -0.958 -2.538 475 HB2 LEU 58 2HB LEU 58 -0.197 -2.034 -4.727 476 HB3 LEU 58 1HB LEU 58 -1.904 -2.471 -4.791 477 HG LEU 58 HG LEU 58 -2.524 -0.068 -4.723 478 HD11 LEU 58 1HD1 LEU 58 -0.468 1.497 -5.265 479 HD12 LEU 58 2HD1 LEU 58 0.457 0.237 -4.449 480 HD13 LEU 58 3HD1 LEU 58 -0.837 1.077 -3.595 481 HD21 LEU 58 3HD2 LEU 58 -2.043 -1.339 -6.886 482 HD22 LEU 58 1HD2 LEU 58 -0.474 -0.531 -6.902 483 HD23 LEU 58 2HD2 LEU 58 -1.958 0.419 -6.994 484 H ASP 59 H ASP 59 -3.415 -2.986 -3.119 485 HA ASP 59 HA ASP 59 -5.327 -0.953 -2.821 486 HB2 ASP 59 2HB ASP 59 -5.674 -3.341 -3.685 487 HB3 ASP 59 1HB ASP 59 -5.796 -3.816 -1.992 488 H ALA 60 H ALA 60 -3.628 -2.909 -0.457 489 HA ALA 60 HA ALA 60 -5.212 -2.424 1.802 490 HB1 ALA 60 3HB ALA 60 -3.357 -3.167 3.081 491 HB2 ALA 60 1HB ALA 60 -2.198 -2.622 1.869 492 HB3 ALA 60 2HB ALA 60 -3.220 -4.024 1.547 493 H VAL 61 H VAL 61 -2.266 -0.701 0.729 494 HA VAL 61 HA VAL 61 -2.455 1.325 2.709 495 HB VAL 61 HB VAL 61 -0.333 0.954 1.661 496 HG11 VAL 61 1HG1 VAL 61 -1.743 1.638 -0.937 497 HG12 VAL 61 2HG1 VAL 61 -1.109 0.062 -0.472 498 HG13 VAL 61 3HG1 VAL 61 -0.007 1.399 -0.766 499 HG21 VAL 61 3HG2 VAL 61 -1.311 3.561 0.477 500 HG22 VAL 61 1HG2 VAL 61 0.289 3.189 1.121 501 HG23 VAL 61 2HG2 VAL 61 -1.086 3.354 2.210 502 H GLU 62 H GLU 62 -3.653 1.091 -0.602 503 HA GLU 62 HA GLU 62 -4.517 3.763 -0.872 504 HB2 GLU 62 2HB GLU 62 -4.312 2.175 -2.760 505 HB3 GLU 62 1HB GLU 62 -5.684 1.266 -2.129 506 HG2 GLU 62 2HG GLU 62 -7.116 3.268 -2.360 507 HG3 GLU 62 1HG GLU 62 -5.741 4.175 -2.986 508 H SER 63 H SER 63 -6.170 0.850 0.309 509 HA SER 63 HA SER 63 -8.705 2.003 0.693 510 HB2 SER 63 2HB SER 63 -7.372 -0.266 2.184 511 HB3 SER 63 1HB SER 63 -9.089 0.120 2.252 512 HG SER 63 HG SER 63 -8.023 -0.096 -0.283 513 H THR 64 H THR 64 -5.998 1.534 2.978 514 HA THR 64 HA THR 64 -7.253 2.746 5.189 515 HB THR 64 HB THR 64 -4.289 2.772 4.593 516 HG1 THR 64 HG1 THR 64 -4.846 0.776 6.128 517 HG21 THR 64 3HG2 THR 64 -5.893 2.756 7.165 518 HG22 THR 64 1HG2 THR 64 -4.971 4.116 6.523 519 HG23 THR 64 2HG2 THR 64 -4.135 2.661 7.068 520 H LEU 65 H LEU 65 -5.029 4.106 2.756 521 HA LEU 65 HA LEU 65 -5.793 6.820 3.667 522 HB2 LEU 65 2HB LEU 65 -3.319 6.014 3.604 523 HB3 LEU 65 1HB LEU 65 -3.453 6.206 1.860 524 HG LEU 65 HG LEU 65 -4.191 8.413 3.813 525 HD11 LEU 65 1HD1 LEU 65 -1.902 8.035 4.260 526 HD12 LEU 65 2HD1 LEU 65 -1.927 9.369 3.109 527 HD13 LEU 65 3HD1 LEU 65 -1.528 7.741 2.562 528 HD21 LEU 65 3HD2 LEU 65 -3.747 8.233 0.827 529 HD22 LEU 65 1HD2 LEU 65 -3.589 9.768 1.680 530 HD23 LEU 65 2HD2 LEU 65 -5.120 8.903 1.702 531 H SER 66 H SER 66 -7.785 6.696 2.492 532 HA SER 66 HA SER 66 -7.742 6.421 -0.382 533 HB2 SER 66 2HB SER 66 -9.711 6.267 1.614 534 HB3 SER 66 1HB SER 66 -10.157 7.677 0.665 535 HG SER 66 HG SER 66 -9.738 6.227 -1.203 536 HA PRO 67 HA PRO 67 -8.546 11.224 0.109 537 HB2 PRO 67 2HB PRO 67 -6.955 11.754 2.576 538 HB3 PRO 67 1HB PRO 67 -8.546 12.382 2.106 539 HG2 PRO 67 2HG PRO 67 -8.283 10.546 4.029 540 HG3 PRO 67 1HG PRO 67 -9.663 10.530 2.915 541 HD2 PRO 67 2HD PRO 67 -7.202 8.803 2.892 542 HD3 PRO 67 1HD PRO 67 -8.892 8.361 2.558 543 H CYS 68 H CYS 68 -7.257 11.838 -1.539 544 HA CYS 68 HA CYS 68 -4.346 12.092 -1.045 545 HB2 CYS 68 2HB CYS 68 -4.150 11.444 -3.561 546 HB3 CYS 68 1HB CYS 68 -4.370 10.161 -2.374 547 HG CYS 68 HG CYS 68 -6.368 9.556 -3.705 548 H LYS 69 H LYS 69 -7.138 13.026 -3.028 549 HA LYS 69 HA LYS 69 -5.895 15.149 -4.401 550 HB2 LYS 69 2HB LYS 69 -8.086 14.155 -5.026 551 HB3 LYS 69 1HB LYS 69 -8.807 14.918 -3.609 552 HG2 LYS 69 2HG LYS 69 -8.175 17.136 -4.455 553 HG3 LYS 69 1HG LYS 69 -7.394 16.394 -5.852 554 HD2 LYS 69 2HD LYS 69 -9.560 15.429 -6.547 555 HD3 LYS 69 1HD LYS 69 -10.339 16.190 -5.159 556 HE2 LYS 69 2HE LYS 69 -9.679 18.412 -5.999 557 HE3 LYS 69 1HE LYS 69 -8.894 17.657 -7.385 558 HZ1 LYS 69 3HZ LYS 69 -11.748 17.209 -6.756 559 HZ2 LYS 69 1HZ LYS 69 -10.935 16.899 -8.211 560 HZ3 LYS 69 2HZ LYS 69 -11.232 18.501 -7.729 561 H GLU 70 H GLU 70 -7.510 14.993 -1.265 562 HA GLU 70 HA GLU 70 -7.449 17.829 -0.815 563 HB2 GLU 70 2HB GLU 70 -7.917 15.483 1.032 564 HB3 GLU 70 1HB GLU 70 -8.045 17.169 1.534 565 HG2 GLU 70 2HG GLU 70 -9.788 17.570 -0.130 566 HG3 GLU 70 1HG GLU 70 -9.622 15.923 -0.737 567 H HIS 71 H HIS 71 -4.884 16.507 -1.497 568 HA HIS 71 HA HIS 71 -3.299 17.503 0.791 569 HB2 HIS 71 2HB HIS 71 -2.892 14.902 -0.665 570 HB3 HIS 71 1HB HIS 71 -1.724 15.611 0.447 571 HD1 HIS 71 HD1 HIS 71 -2.457 15.801 2.978 572 HD2 HIS 71 HD2 HIS 71 -5.093 13.648 0.568 573 HE1 HIS 71 HE1 HIS 71 -4.003 14.551 4.546 574 H ASP 72 H ASP 72 -1.408 18.526 0.262 575 HA ASP 72 HA ASP 72 -1.190 19.448 -2.467 576 HB2 ASP 72 2HB ASP 72 -0.800 20.920 -0.489 577 HB3 ASP 72 1HB ASP 72 0.640 19.972 -0.118 578 H VAL 73 H VAL 73 1.188 17.989 -0.233 579 HA VAL 73 HA VAL 73 3.013 17.302 -2.295 580 HB VAL 73 HB VAL 73 2.764 16.139 0.490 581 HG11 VAL 73 1HG1 VAL 73 5.064 16.210 -1.489 582 HG12 VAL 73 2HG1 VAL 73 4.183 14.775 -0.977 583 HG13 VAL 73 3HG1 VAL 73 5.186 15.649 0.177 584 HG21 VAL 73 3HG2 VAL 73 3.018 18.519 0.678 585 HG22 VAL 73 1HG2 VAL 73 4.222 18.554 -0.611 586 HG23 VAL 73 2HG2 VAL 73 4.619 17.823 0.944 587 H ILE 74 H ILE 74 0.572 15.427 -0.515 588 HA ILE 74 HA ILE 74 1.106 13.033 -2.083 589 HB ILE 74 HB ILE 74 -1.222 13.432 -0.211 590 HG12 ILE 74 2HG1 ILE 74 0.730 14.195 1.018 591 HG13 ILE 74 1HG1 ILE 74 0.285 12.590 1.595 592 HG21 ILE 74 1HG2 ILE 74 -0.773 10.996 0.205 593 HG22 ILE 74 2HG2 ILE 74 0.414 11.052 -1.093 594 HG23 ILE 74 3HG2 ILE 74 -1.286 11.364 -1.438 595 HD11 ILE 74 3HD1 ILE 74 2.650 12.534 1.301 596 HD12 ILE 74 1HD1 ILE 74 2.544 13.326 -0.265 597 HD13 ILE 74 2HD1 ILE 74 1.987 11.669 -0.082 598 H GLY 75 H GLY 75 -0.353 15.834 -2.799 599 HA2 GLY 75 2HA GLY 75 -2.872 15.126 -3.871 600 HA3 GLY 75 1HA GLY 75 -1.903 16.506 -4.369 601 H THR 76 H THR 76 0.388 14.742 -5.053 602 HA THR 76 HA THR 76 -0.419 14.176 -7.781 603 HB THR 76 HB THR 76 1.728 15.061 -7.766 604 HG1 THR 76 HG1 THR 76 3.181 13.212 -7.979 605 HG21 THR 76 3HG2 THR 76 2.096 13.480 -5.219 606 HG22 THR 76 1HG2 THR 76 2.153 15.228 -5.437 607 HG23 THR 76 2HG2 THR 76 3.457 14.220 -6.063 608 H LYS 77 H LYS 77 -0.474 12.478 -4.895 609 HA LYS 77 HA LYS 77 0.362 9.898 -5.629 610 HB2 LYS 77 2HB LYS 77 -0.132 10.572 -3.309 611 HB3 LYS 77 1HB LYS 77 -1.847 10.670 -3.707 612 HG2 LYS 77 2HG LYS 77 -1.873 8.285 -4.284 613 HG3 LYS 77 1HG LYS 77 -0.147 8.176 -3.953 614 HD2 LYS 77 2HD LYS 77 -0.557 8.819 -1.606 615 HD3 LYS 77 1HD LYS 77 -2.286 8.913 -1.940 616 HE2 LYS 77 2HE LYS 77 -2.312 6.530 -2.547 617 HE3 LYS 77 1HE LYS 77 -0.578 6.427 -2.251 618 HZ1 LYS 77 3HZ LYS 77 -0.855 6.518 -0.021 619 HZ2 LYS 77 1HZ LYS 77 -2.357 5.834 -0.410 620 HZ3 LYS 77 2HZ LYS 77 -2.238 7.500 -0.107 621 H VAL 78 H VAL 78 -2.821 11.461 -5.880 622 HA VAL 78 HA VAL 78 -4.274 9.272 -6.812 623 HB VAL 78 HB VAL 78 -5.224 11.487 -6.140 624 HG11 VAL 78 1HG1 VAL 78 -5.132 13.359 -7.594 625 HG12 VAL 78 2HG1 VAL 78 -4.521 12.393 -8.936 626 HG13 VAL 78 3HG1 VAL 78 -3.481 12.744 -7.557 627 HG21 VAL 78 3HG2 VAL 78 -6.466 9.747 -7.519 628 HG22 VAL 78 1HG2 VAL 78 -6.047 10.695 -8.947 629 HG23 VAL 78 2HG2 VAL 78 -7.062 11.399 -7.687 630 H CYS 79 H CYS 79 -2.377 11.673 -8.624 631 HA CYS 79 HA CYS 79 -2.996 10.644 -11.201 632 HB2 CYS 79 2HB CYS 79 -0.633 12.286 -10.257 633 HB3 CYS 79 1HB CYS 79 -1.065 12.005 -11.943 634 HG CYS 79 HG CYS 79 -2.234 14.171 -10.343 635 H ALA 80 H ALA 80 -0.151 10.238 -9.090 636 HA ALA 80 HA ALA 80 1.271 8.507 -10.802 637 HB1 ALA 80 3HB ALA 80 1.437 8.370 -7.796 638 HB2 ALA 80 1HB ALA 80 2.076 9.753 -8.685 639 HB3 ALA 80 2HB ALA 80 2.720 8.139 -8.986 640 H LEU 81 H LEU 81 -1.080 7.878 -8.240 641 HA LEU 81 HA LEU 81 -0.844 5.080 -8.206 642 HB2 LEU 81 2HB LEU 81 -1.997 6.340 -6.427 643 HB3 LEU 81 1HB LEU 81 -3.259 6.793 -7.569 644 HG LEU 81 HG LEU 81 -3.837 4.412 -7.889 645 HD11 LEU 81 1HD1 LEU 81 -1.925 3.132 -7.546 646 HD12 LEU 81 2HD1 LEU 81 -2.762 2.870 -6.020 647 HD13 LEU 81 3HD1 LEU 81 -1.441 4.037 -6.112 648 HD21 LEU 81 3HD2 LEU 81 -5.132 5.471 -6.216 649 HD22 LEU 81 1HD2 LEU 81 -3.786 5.518 -5.078 650 HD23 LEU 81 2HD2 LEU 81 -4.567 3.985 -5.456 651 H LEU 82 H LEU 82 -2.917 7.275 -10.066 652 HA LEU 82 HA LEU 82 -4.472 5.297 -11.325 653 HB2 LEU 82 2HB LEU 82 -5.110 7.648 -11.403 654 HB3 LEU 82 1HB LEU 82 -3.650 8.044 -12.306 655 HG LEU 82 HG LEU 82 -4.405 6.672 -14.194 656 HD11 LEU 82 1HD1 LEU 82 -5.627 4.882 -13.307 657 HD12 LEU 82 2HD1 LEU 82 -6.903 5.883 -13.994 658 HD13 LEU 82 3HD1 LEU 82 -6.590 5.923 -12.259 659 HD21 LEU 82 3HD2 LEU 82 -5.153 9.051 -13.985 660 HD22 LEU 82 1HD2 LEU 82 -6.644 8.476 -13.238 661 HD23 LEU 82 2HD2 LEU 82 -6.273 8.049 -14.907 662 H ASP 83 H ASP 83 -1.392 6.804 -12.232 663 HA ASP 83 HA ASP 83 -1.126 5.563 -14.752 664 HB2 ASP 83 2HB ASP 83 0.905 6.612 -12.781 665 HB3 ASP 83 1HB ASP 83 1.353 5.974 -14.362 666 H ARG 84 H ARG 84 -0.022 4.572 -11.522 667 HA ARG 84 HA ARG 84 1.306 2.215 -12.374 668 HB2 ARG 84 2HB ARG 84 0.112 3.002 -9.709 669 HB3 ARG 84 1HB ARG 84 1.050 1.531 -9.960 670 HG2 ARG 84 2HG ARG 84 2.917 2.977 -10.856 671 HG3 ARG 84 1HG ARG 84 1.989 4.382 -10.344 672 HD2 ARG 84 2HD ARG 84 2.857 2.131 -8.515 673 HD3 ARG 84 1HD ARG 84 3.681 3.680 -8.655 674 HE ARG 84 HE ARG 84 1.130 3.176 -7.336 675 HH11 ARG 84 1HH2 ARG 84 3.354 5.461 -8.686 676 HH12 ARG 84 2HH2 ARG 84 2.733 6.803 -7.785 677 HH21 ARG 84 1HH1 ARG 84 0.308 4.935 -6.158 678 HH22 ARG 84 2HH1 ARG 84 1.006 6.507 -6.359 679 H LEU 85 H LEU 85 -2.001 2.879 -11.320 680 HA LEU 85 HA LEU 85 -2.849 0.188 -11.218 681 HB2 LEU 85 2HB LEU 85 -3.986 2.509 -10.448 682 HB3 LEU 85 1HB LEU 85 -4.819 2.316 -11.983 683 HG LEU 85 HG LEU 85 -6.153 1.259 -10.257 684 HD11 LEU 85 1HD1 LEU 85 -6.496 -0.835 -11.278 685 HD12 LEU 85 2HD1 LEU 85 -4.788 -1.050 -11.636 686 HD13 LEU 85 3HD1 LEU 85 -5.740 0.118 -12.554 687 HD21 LEU 85 3HD2 LEU 85 -5.308 0.038 -8.520 688 HD22 LEU 85 1HD2 LEU 85 -3.756 0.737 -8.967 689 HD23 LEU 85 2HD2 LEU 85 -4.197 -0.863 -9.550 690 H ALA 86 H ALA 86 -2.753 2.567 -13.822 691 HA ALA 86 HA ALA 86 -4.309 1.235 -15.719 692 HB1 ALA 86 3HB ALA 86 -2.856 2.469 -17.391 693 HB2 ALA 86 1HB ALA 86 -1.906 3.040 -16.019 694 HB3 ALA 86 2HB ALA 86 -3.608 3.478 -16.156 695 H GLY 87 H GLY 87 -0.856 0.890 -14.956 696 HA2 GLY 87 2HA GLY 87 -0.485 -1.744 -15.320 697 HA3 GLY 87 1HA GLY 87 -0.501 -1.169 -16.986 698 H ASP 88 H ASP 88 0.954 -0.231 -13.859 699 HA ASP 88 HA ASP 88 3.624 -0.516 -14.789 700 HB2 ASP 88 2HB ASP 88 2.968 1.517 -16.080 701 HB3 ASP 88 1HB ASP 88 2.645 2.337 -14.553 702 H TYR 89 H TYR 89 2.653 -1.560 -12.585 703 HA TYR 89 HA TYR 89 3.245 0.253 -10.329 704 HB2 TYR 89 2HB TYR 89 2.135 -1.382 -8.937 705 HB3 TYR 89 1HB TYR 89 1.102 -1.036 -10.321 706 HD1 TYR 89 HD2 TYR 89 1.145 -2.618 -12.315 707 HD2 TYR 89 HD1 TYR 89 2.940 -3.579 -8.534 708 HE1 TYR 89 HE2 TYR 89 1.166 -5.019 -12.935 709 HE2 TYR 89 HE1 TYR 89 2.967 -5.978 -9.155 710 HH TYR 89 HH TYR 89 1.509 -7.105 -12.193 711 H VAL 90 H VAL 90 4.700 -0.366 -8.701 712 HA VAL 90 HA VAL 90 7.158 -1.294 -9.467 713 HB VAL 90 HB VAL 90 7.612 -1.705 -7.068 714 HG11 VAL 90 1HG1 VAL 90 5.876 0.724 -7.612 715 HG12 VAL 90 2HG1 VAL 90 7.610 0.609 -7.911 716 HG13 VAL 90 3HG1 VAL 90 6.996 0.553 -6.260 717 HG21 VAL 90 3HG2 VAL 90 5.560 -2.815 -6.429 718 HG22 VAL 90 1HG2 VAL 90 4.607 -1.393 -6.854 719 HG23 VAL 90 2HG2 VAL 90 5.701 -1.340 -5.471 720 H TYR 91 H TYR 91 8.263 -3.254 -9.365 721 HA TYR 91 HA TYR 91 6.523 -5.654 -9.413 722 HB2 TYR 91 2HB TYR 91 9.332 -5.501 -10.477 723 HB3 TYR 91 1HB TYR 91 8.051 -6.633 -10.903 724 HD1 TYR 91 HD2 TYR 91 5.825 -5.471 -11.824 725 HD2 TYR 91 HD1 TYR 91 9.753 -3.724 -11.933 726 HE1 TYR 91 HE2 TYR 91 5.107 -3.963 -13.659 727 HE2 TYR 91 HE1 TYR 91 9.031 -2.219 -13.764 728 HH TYR 91 HH TYR 91 6.005 -1.518 -14.486 729 H LEU 92 H LEU 92 7.538 -7.662 -8.636 730 HA LEU 92 HA LEU 92 9.392 -7.204 -6.373 731 HB2 LEU 92 2HB LEU 92 7.051 -7.500 -5.608 732 HB3 LEU 92 1HB LEU 92 7.020 -9.080 -6.382 733 HG LEU 92 HG LEU 92 9.158 -8.338 -4.366 734 HD11 LEU 92 1HD1 LEU 92 7.760 -9.453 -2.646 735 HD12 LEU 92 2HD1 LEU 92 6.436 -9.541 -3.808 736 HD13 LEU 92 3HD1 LEU 92 7.030 -7.973 -3.266 737 HD21 LEU 92 3HD2 LEU 92 9.905 -10.351 -5.146 738 HD22 LEU 92 1HD2 LEU 92 8.345 -10.813 -5.817 739 HD23 LEU 92 2HD2 LEU 92 8.666 -11.038 -4.105 740 H PHE 93 H PHE 93 11.155 -8.411 -6.425 741 HA PHE 93 HA PHE 93 11.067 -11.049 -7.772 742 HB2 PHE 93 2HB PHE 93 13.320 -9.078 -8.155 743 HB3 PHE 93 1HB PHE 93 13.101 -10.624 -8.962 744 HD1 PHE 93 HD2 PHE 93 10.598 -10.841 -10.046 745 HD2 PHE 93 HD1 PHE 93 12.797 -7.202 -9.450 746 HE1 PHE 93 HE2 PHE 93 9.260 -9.739 -11.823 747 HE2 PHE 93 HE1 PHE 93 11.466 -6.103 -11.226 748 HZ PHE 93 HZ PHE 93 9.695 -7.371 -12.412 749 H ASP 94 H ASP 94 12.698 -12.512 -7.070 750 HA ASP 94 HA ASP 94 13.441 -12.130 -4.290 751 HB2 ASP 94 2HB ASP 94 14.218 -14.470 -4.443 752 HB3 ASP 94 1HB ASP 94 12.552 -14.283 -4.979 753 H GLU 95 H GLU 95 15.743 -13.287 -3.858 754 HA GLU 95 HA GLU 95 17.671 -11.406 -4.814 755 HB2 GLU 95 2HB GLU 95 19.286 -12.841 -3.536 756 HB3 GLU 95 1HB GLU 95 17.909 -12.287 -2.582 757 HG2 GLU 95 2HG GLU 95 16.783 -14.423 -2.886 758 HG3 GLU 95 1HG GLU 95 18.069 -14.986 -3.953 759 H GLY 96 H GLY 96 16.625 -12.560 -7.059 760 HA2 GLY 96 2HA GLY 96 18.994 -13.709 -8.274 761 HA3 GLY 96 1HA GLY 96 17.601 -14.787 -8.226 762 H GLY 97 H GLY 97 15.500 -13.718 -9.027 763 HA2 GLY 97 2HA GLY 97 15.217 -11.553 -10.634 764 HA3 GLY 97 1HA GLY 97 16.008 -12.714 -11.695 765 H ASP 98 H ASP 98 14.605 -14.903 -10.089 766 HA ASP 98 HA ASP 98 12.338 -15.152 -11.826 767 HB2 ASP 98 2HB ASP 98 13.358 -16.786 -9.502 768 HB3 ASP 98 1HB ASP 98 11.893 -17.202 -10.387 769 H GLU 99 H GLU 99 10.185 -14.940 -11.368 770 HA GLU 99 HA GLU 99 9.478 -13.177 -9.206 771 HB2 GLU 99 2HB GLU 99 7.904 -14.594 -11.365 772 HB3 GLU 99 1HB GLU 99 7.132 -13.622 -10.125 773 HG2 GLU 99 2HG GLU 99 7.504 -12.232 -12.069 774 HG3 GLU 99 1HG GLU 99 8.572 -11.701 -10.774 775 H VAL 100 H VAL 100 9.856 -14.265 -7.273 776 HA VAL 100 HA VAL 100 7.859 -16.309 -6.582 777 HB VAL 100 HB VAL 100 9.923 -17.517 -7.245 778 HG11 VAL 100 1HG1 VAL 100 11.184 -16.165 -4.855 779 HG12 VAL 100 2HG1 VAL 100 11.455 -15.641 -6.518 780 HG13 VAL 100 3HG1 VAL 100 11.961 -17.251 -6.008 781 HG21 VAL 100 3HG2 VAL 100 9.473 -17.615 -4.252 782 HG22 VAL 100 1HG2 VAL 100 9.987 -18.937 -5.299 783 HG23 VAL 100 2HG2 VAL 100 8.345 -18.303 -5.419 784 H ILE 101 H ILE 101 7.438 -16.451 -4.339 785 HA ILE 101 HA ILE 101 8.012 -13.957 -2.909 786 HB ILE 101 HB ILE 101 6.187 -16.276 -2.226 787 HG12 ILE 101 2HG1 ILE 101 5.449 -13.497 -3.167 788 HG13 ILE 101 1HG1 ILE 101 5.672 -14.837 -4.293 789 HG21 ILE 101 1HG2 ILE 101 6.736 -15.182 -0.184 790 HG22 ILE 101 2HG2 ILE 101 5.209 -14.456 -0.685 791 HG23 ILE 101 3HG2 ILE 101 6.723 -13.588 -0.944 792 HD11 ILE 101 3HD1 ILE 101 3.701 -14.726 -1.993 793 HD12 ILE 101 1HD1 ILE 101 3.978 -16.144 -3.002 794 HD13 ILE 101 2HD1 ILE 101 3.312 -14.677 -3.711 795 H ALA 102 H ALA 102 9.498 -13.817 -1.353 796 HA ALA 102 HA ALA 102 10.091 -16.055 0.345 797 HB1 ALA 102 3HB ALA 102 12.646 -15.774 -0.282 798 HB2 ALA 102 1HB ALA 102 11.981 -15.218 -1.819 799 HB3 ALA 102 2HB ALA 102 11.605 -16.836 -1.230 800 HA PRO 103 HA PRO 103 10.975 -12.935 3.371 801 HB2 PRO 103 2HB PRO 103 13.604 -14.316 3.818 802 HB3 PRO 103 1HB PRO 103 12.372 -13.836 4.999 803 HG2 PRO 103 2HG PRO 103 12.667 -16.382 4.207 804 HG3 PRO 103 1HG PRO 103 11.083 -15.696 4.613 805 HD2 PRO 103 2HD PRO 103 12.179 -16.422 1.941 806 HD3 PRO 103 1HD PRO 103 10.492 -16.290 2.487 807 H ARG 104 H ARG 104 13.668 -13.830 1.213 808 HA ARG 104 HA ARG 104 14.840 -11.152 1.423 809 HB2 ARG 104 2HB ARG 104 16.508 -12.243 -0.262 810 HB3 ARG 104 1HB ARG 104 16.543 -12.744 1.423 811 HG2 ARG 104 2HG ARG 104 14.681 -14.230 -0.404 812 HG3 ARG 104 1HG ARG 104 16.404 -14.533 -0.582 813 HD2 ARG 104 2HD ARG 104 15.200 -14.571 2.164 814 HD3 ARG 104 1HD ARG 104 15.010 -15.961 1.116 815 HE ARG 104 HE ARG 104 17.715 -15.252 1.078 816 HH11 ARG 104 1HH2 ARG 104 15.299 -16.353 3.293 817 HH12 ARG 104 2HH2 ARG 104 16.420 -17.192 4.313 818 HH21 ARG 104 1HH1 ARG 104 19.191 -16.342 2.409 819 HH22 ARG 104 2HH1 ARG 104 18.625 -17.188 3.811 820 H MET 105 H MET 105 12.433 -10.793 0.373 821 HA MET 105 HA MET 105 12.718 -10.773 -2.569 822 HB2 MET 105 2HB MET 105 10.319 -10.374 -2.618 823 HB3 MET 105 1HB MET 105 10.667 -11.807 -1.654 824 HG2 MET 105 2HG MET 105 9.175 -10.671 -0.265 825 HG3 MET 105 1HG MET 105 10.718 -10.076 0.346 826 HE1 MET 105 3HE MET 105 8.358 -8.643 1.105 827 HE2 MET 105 1HE MET 105 7.340 -8.986 -0.299 828 HE3 MET 105 2HE MET 105 7.724 -7.319 0.130 829 H TYR 106 H TYR 106 12.577 -8.901 -3.733 830 HA TYR 106 HA TYR 106 12.667 -6.371 -2.182 831 HB2 TYR 106 2HB TYR 106 14.831 -6.854 -3.188 832 HB3 TYR 106 1HB TYR 106 14.072 -7.106 -4.760 833 HD1 TYR 106 HD1 TYR 106 14.002 -4.500 -2.032 834 HD2 TYR 106 HD2 TYR 106 14.235 -5.317 -6.251 835 HE1 TYR 106 HE1 TYR 106 14.148 -2.075 -2.499 836 HE2 TYR 106 HE2 TYR 106 14.382 -2.888 -6.709 837 HH TYR 106 HH TYR 106 14.878 -0.571 -4.190 838 H CYS 107 H CYS 107 11.016 -5.076 -2.513 839 HA CYS 107 HA CYS 107 9.456 -5.307 -5.029 840 HB2 CYS 107 2HB CYS 107 8.078 -5.905 -3.169 841 HB3 CYS 107 1HB CYS 107 8.636 -4.524 -2.229 842 HG CYS 107 HG CYS 107 6.307 -4.428 -4.048 843 H SER 108 H SER 108 9.864 -3.732 -6.379 844 HA SER 108 HA SER 108 9.508 -0.996 -5.712 845 HB2 SER 108 2HB SER 108 11.815 -1.507 -4.708 846 HB3 SER 108 1HB SER 108 12.378 -1.635 -6.371 847 HG SER 108 HG SER 108 12.616 0.464 -5.997 848 H PHE 109 H PHE 109 10.401 0.440 -7.591 849 HA PHE 109 HA PHE 109 9.338 -0.657 -10.029 850 HB2 PHE 109 2HB PHE 109 9.778 1.541 -10.972 851 HB3 PHE 109 1HB PHE 109 9.053 1.729 -9.377 852 HD1 PHE 109 HD2 PHE 109 10.397 2.456 -7.452 853 HD2 PHE 109 HD1 PHE 109 12.111 2.099 -11.374 854 HE1 PHE 109 HE2 PHE 109 12.367 3.764 -6.708 855 HE2 PHE 109 HE1 PHE 109 14.082 3.410 -10.631 856 HZ PHE 109 HZ PHE 109 14.210 4.241 -8.299 857 H SER 110 H SER 110 12.448 -0.428 -8.584 858 HA SER 110 HA SER 110 14.000 -0.521 -10.994 859 HB2 SER 110 2HB SER 110 14.611 -1.018 -8.089 860 HB3 SER 110 1HB SER 110 15.812 -1.330 -9.340 861 HG SER 110 HG SER 110 14.674 1.029 -9.806 862 H ALA 111 H ALA 111 14.856 -2.261 -12.054 863 HA ALA 111 HA ALA 111 13.637 -4.854 -11.424 864 HB1 ALA 111 3HB ALA 111 15.187 -4.815 -13.902 865 HB2 ALA 111 1HB ALA 111 14.050 -3.471 -13.840 866 HB3 ALA 111 2HB ALA 111 13.468 -5.124 -13.671 867 HA PRO 112 HA PRO 112 17.244 -7.046 -10.156 868 HB2 PRO 112 2HB PRO 112 17.293 -8.599 -12.724 869 HB3 PRO 112 1HB PRO 112 17.268 -9.191 -11.050 870 HG2 PRO 112 2HG PRO 112 15.091 -9.286 -12.578 871 HG3 PRO 112 1HG PRO 112 14.986 -8.914 -10.846 872 HD2 PRO 112 2HD PRO 112 14.724 -7.061 -13.187 873 HD3 PRO 112 1HD PRO 112 13.912 -7.022 -11.610 874 H ASP 113 H ASP 113 17.392 -6.220 -13.622 875 HA ASP 113 HA ASP 113 20.305 -5.812 -13.450 876 HB2 ASP 113 2HB ASP 113 19.381 -7.111 -15.350 877 HB3 ASP 113 1HB ASP 113 18.468 -5.689 -15.854 878 H ASP 114 H ASP 114 18.970 -3.981 -11.946 879 HA ASP 114 HA ASP 114 18.058 -1.637 -13.092 880 HB2 ASP 114 2HB ASP 114 18.120 -2.086 -10.652 881 HB3 ASP 114 1HB ASP 114 19.867 -1.847 -10.674 Start of MODEL 15 1 HA2 GLY 1 2HA GLY 1 -1.068 -45.190 17.414 2 HA3 GLY 1 1HA GLY 1 -2.366 -44.270 16.651 3 H LYS 2 H LYS 2 -3.244 -43.273 18.411 4 HA LYS 2 HA LYS 2 -3.767 -44.691 20.868 5 HB2 LYS 2 2HB LYS 2 -4.268 -41.906 19.851 6 HB3 LYS 2 1HB LYS 2 -5.069 -42.449 21.322 7 HG2 LYS 2 2HG LYS 2 -2.090 -42.818 21.011 8 HG3 LYS 2 1HG LYS 2 -2.739 -41.252 21.495 9 HD2 LYS 2 2HD LYS 2 -3.936 -42.347 23.377 10 HD3 LYS 2 1HD LYS 2 -3.222 -43.890 22.924 11 HE2 LYS 2 2HE LYS 2 -0.967 -42.934 23.250 12 HE3 LYS 2 1HE LYS 2 -1.700 -41.408 23.745 13 HZ1 LYS 2 3HZ LYS 2 -1.373 -43.834 25.229 14 HZ2 LYS 2 1HZ LYS 2 -2.966 -43.259 25.273 15 HZ3 LYS 2 2HZ LYS 2 -1.689 -42.260 25.783 16 H LYS 3 H LYS 3 -5.623 -45.571 21.558 17 HA LYS 3 HA LYS 3 -7.859 -45.725 19.636 18 HB2 LYS 3 2HB LYS 3 -7.174 -47.405 22.060 19 HB3 LYS 3 1HB LYS 3 -8.589 -47.641 21.032 20 HG2 LYS 3 2HG LYS 3 -7.135 -47.995 19.083 21 HG3 LYS 3 1HG LYS 3 -5.710 -47.733 20.089 22 HD2 LYS 3 2HD LYS 3 -6.376 -49.666 21.498 23 HD3 LYS 3 1HD LYS 3 -7.750 -49.951 20.427 24 HE2 LYS 3 2HE LYS 3 -4.825 -50.020 19.631 25 HE3 LYS 3 1HE LYS 3 -5.888 -51.417 19.801 26 HZ1 LYS 3 3HZ LYS 3 -5.715 -50.744 17.497 27 HZ2 LYS 3 1HZ LYS 3 -6.244 -49.179 17.880 28 HZ3 LYS 3 2HZ LYS 3 -7.297 -50.500 18.058 29 H VAL 4 H VAL 4 -6.961 -43.871 22.195 30 HA VAL 4 HA VAL 4 -9.727 -43.607 23.248 31 HB VAL 4 HB VAL 4 -8.043 -44.201 24.945 32 HG11 VAL 4 1HG1 VAL 4 -6.138 -43.090 23.707 33 HG12 VAL 4 2HG1 VAL 4 -6.174 -42.763 25.439 34 HG13 VAL 4 3HG1 VAL 4 -6.737 -41.540 24.300 35 HG21 VAL 4 3HG2 VAL 4 -8.556 -41.358 25.680 36 HG22 VAL 4 1HG2 VAL 4 -9.043 -42.838 26.504 37 HG23 VAL 4 2HG2 VAL 4 -9.983 -42.239 25.144 38 H GLU 5 H GLU 5 -8.896 -42.444 20.758 39 HA GLU 5 HA GLU 5 -8.974 -40.441 19.633 40 HB2 GLU 5 2HB GLU 5 -10.411 -39.653 22.183 41 HB3 GLU 5 1HB GLU 5 -10.327 -38.642 20.743 42 HG2 GLU 5 2HG GLU 5 -11.434 -40.363 19.418 43 HG3 GLU 5 1HG GLU 5 -11.428 -41.464 20.795 44 H PHE 6 H PHE 6 -8.220 -38.149 19.673 45 HA PHE 6 HA PHE 6 -5.747 -37.959 21.246 46 HB2 PHE 6 2HB PHE 6 -6.773 -36.462 18.831 47 HB3 PHE 6 1HB PHE 6 -5.299 -36.015 19.688 48 HD1 PHE 6 HD2 PHE 6 -3.492 -37.812 20.003 49 HD2 PHE 6 HD1 PHE 6 -6.751 -38.211 17.232 50 HE1 PHE 6 HE2 PHE 6 -2.236 -39.567 18.780 51 HE2 PHE 6 HE1 PHE 6 -5.496 -39.967 16.010 52 HZ PHE 6 HZ PHE 6 -3.237 -40.644 16.782 53 H ASN 7 H ASN 7 -5.142 -35.786 22.068 54 HA ASN 7 HA ASN 7 -6.898 -34.886 24.010 55 HB2 ASN 7 2HB ASN 7 -4.611 -33.444 22.660 56 HB3 ASN 7 1HB ASN 7 -5.453 -32.829 24.081 57 HD21 ASN 7 1HD2 ASN 7 -2.596 -33.882 23.739 58 HD22 ASN 7 2HD2 ASN 7 -2.449 -35.074 24.936 59 H ASP 8 H ASP 8 -5.896 -32.596 21.507 60 HA ASP 8 HA ASP 8 -8.210 -32.132 20.124 61 HB2 ASP 8 2HB ASP 8 -9.042 -30.059 21.520 62 HB3 ASP 8 1HB ASP 8 -9.599 -31.668 21.938 63 H LYS 9 H LYS 9 -7.585 -30.818 18.525 64 HA LYS 9 HA LYS 9 -5.159 -29.628 18.270 65 HB2 LYS 9 2HB LYS 9 -6.584 -27.911 16.747 66 HB3 LYS 9 1HB LYS 9 -6.313 -29.584 16.268 67 HG2 LYS 9 2HG LYS 9 -8.457 -30.256 17.046 68 HG3 LYS 9 1HG LYS 9 -8.687 -28.748 17.934 69 HD2 LYS 9 2HD LYS 9 -8.978 -27.491 15.939 70 HD3 LYS 9 1HD LYS 9 -8.326 -28.785 14.932 71 HE2 LYS 9 2HE LYS 9 -10.838 -29.134 16.573 72 HE3 LYS 9 1HE LYS 9 -10.872 -28.522 14.919 73 HZ1 LYS 9 3HZ LYS 9 -9.615 -31.087 15.730 74 HZ2 LYS 9 1HZ LYS 9 -9.821 -30.512 14.149 75 HZ3 LYS 9 2HZ LYS 9 -11.176 -30.951 15.074 76 HA PRO 10 HA PRO 10 -4.853 -26.090 20.869 77 HB2 PRO 10 2HB PRO 10 -3.830 -24.202 19.057 78 HB3 PRO 10 1HB PRO 10 -2.869 -25.399 19.938 79 HG2 PRO 10 2HG PRO 10 -3.889 -25.461 17.136 80 HG3 PRO 10 1HG PRO 10 -2.352 -26.056 17.797 81 HD2 PRO 10 2HD PRO 10 -4.350 -27.744 17.180 82 HD3 PRO 10 1HD PRO 10 -3.282 -28.041 18.568 83 H LYS 11 H LYS 11 -6.773 -25.245 21.514 84 HA LYS 11 HA LYS 11 -8.637 -24.081 19.624 85 HB2 LYS 11 2HB LYS 11 -8.691 -24.344 22.634 86 HB3 LYS 11 1HB LYS 11 -10.001 -23.653 21.677 87 HG2 LYS 11 2HG LYS 11 -10.185 -25.761 20.405 88 HG3 LYS 11 1HG LYS 11 -8.886 -26.455 21.374 89 HD2 LYS 11 2HD LYS 11 -10.259 -26.081 23.421 90 HD3 LYS 11 1HD LYS 11 -11.572 -25.496 22.400 91 HE2 LYS 11 2HE LYS 11 -10.326 -28.256 22.265 92 HE3 LYS 11 1HE LYS 11 -11.902 -27.872 22.956 93 HZ1 LYS 11 3HZ LYS 11 -11.079 -28.016 20.168 94 HZ2 LYS 11 1HZ LYS 11 -12.161 -26.770 20.565 95 HZ3 LYS 11 2HZ LYS 11 -12.576 -28.387 20.882 96 H VAL 12 H VAL 12 -7.922 -22.649 22.763 97 HA VAL 12 HA VAL 12 -8.040 -20.003 21.687 98 HB VAL 12 HB VAL 12 -6.971 -20.761 24.405 99 HG11 VAL 12 1HG1 VAL 12 -7.718 -18.593 25.046 100 HG12 VAL 12 2HG1 VAL 12 -8.686 -18.408 23.583 101 HG13 VAL 12 3HG1 VAL 12 -6.928 -18.356 23.488 102 HG21 VAL 12 3HG2 VAL 12 -9.420 -20.523 25.096 103 HG22 VAL 12 1HG2 VAL 12 -9.015 -21.996 24.215 104 HG23 VAL 12 2HG2 VAL 12 -9.820 -20.665 23.385 105 H ARG 13 H ARG 13 -6.136 -21.082 20.185 106 HA ARG 13 HA ARG 13 -3.783 -19.522 20.906 107 HB2 ARG 13 2HB ARG 13 -3.656 -22.513 20.533 108 HB3 ARG 13 1HB ARG 13 -2.246 -21.465 20.476 109 HG2 ARG 13 2HG ARG 13 -2.886 -20.651 22.786 110 HG3 ARG 13 1HG ARG 13 -4.114 -21.918 22.816 111 HD2 ARG 13 2HD ARG 13 -2.344 -23.612 22.408 112 HD3 ARG 13 1HD ARG 13 -1.137 -22.334 22.502 113 HE ARG 13 HE ARG 13 -2.876 -22.458 24.808 114 HH11 ARG 13 1HH2 ARG 13 -0.015 -23.631 23.269 115 HH12 ARG 13 2HH2 ARG 13 0.753 -24.106 24.747 116 HH21 ARG 13 1HH1 ARG 13 -1.885 -23.080 26.749 117 HH22 ARG 13 2HH1 ARG 13 -0.309 -23.793 26.722 118 H LYS 14 H LYS 14 -3.276 -18.417 19.150 119 HA LYS 14 HA LYS 14 -4.308 -19.082 16.571 120 HB2 LYS 14 2HB LYS 14 -3.699 -16.747 17.522 121 HB3 LYS 14 1HB LYS 14 -2.046 -17.141 17.048 122 HG2 LYS 14 2HG LYS 14 -2.755 -17.485 14.733 123 HG3 LYS 14 1HG LYS 14 -4.439 -17.210 15.181 124 HD2 LYS 14 2HD LYS 14 -3.872 -14.913 15.898 125 HD3 LYS 14 1HD LYS 14 -2.194 -15.188 15.426 126 HE2 LYS 14 2HE LYS 14 -2.879 -15.565 13.105 127 HE3 LYS 14 1HE LYS 14 -4.572 -15.365 13.555 128 HZ1 LYS 14 3HZ LYS 14 -4.355 -13.143 13.742 129 HZ2 LYS 14 1HZ LYS 14 -3.074 -13.382 12.655 130 HZ3 LYS 14 2HZ LYS 14 -2.758 -13.223 14.318 131 H ILE 15 H ILE 15 -3.523 -20.578 15.239 132 HA ILE 15 HA ILE 15 -0.617 -21.164 15.291 133 HB ILE 15 HB ILE 15 -2.869 -23.086 14.817 134 HG12 ILE 15 2HG1 ILE 15 -2.620 -22.425 17.167 135 HG13 ILE 15 1HG1 ILE 15 -2.075 -24.057 16.919 136 HG21 ILE 15 1HG2 ILE 15 -0.906 -24.729 14.947 137 HG22 ILE 15 2HG2 ILE 15 0.139 -23.326 14.709 138 HG23 ILE 15 3HG2 ILE 15 -1.026 -23.778 13.466 139 HD11 ILE 15 3HD1 ILE 15 -0.317 -23.299 18.191 140 HD12 ILE 15 1HD1 ILE 15 -0.479 -21.651 17.613 141 HD13 ILE 15 2HD1 ILE 15 0.297 -22.865 16.611 142 HA PRO 16 HA PRO 16 -1.714 -20.003 10.985 143 HB2 PRO 16 2HB PRO 16 0.200 -18.098 10.614 144 HB3 PRO 16 1HB PRO 16 -1.351 -17.754 11.402 145 HG2 PRO 16 2HG PRO 16 1.341 -18.076 12.605 146 HG3 PRO 16 1HG PRO 16 -0.029 -17.097 13.150 147 HD2 PRO 16 2HD PRO 16 0.733 -19.633 14.185 148 HD3 PRO 16 1HD PRO 16 -0.787 -18.786 14.523 149 H SER 17 H SER 17 -1.031 -21.695 9.775 150 HA SER 17 HA SER 17 1.650 -22.737 9.946 151 HB2 SER 17 2HB SER 17 -0.662 -23.373 8.110 152 HB3 SER 17 1HB SER 17 0.876 -24.230 8.091 153 HG SER 17 HG SER 17 0.217 -24.200 10.577 154 H THR 18 H THR 18 0.227 -20.158 8.294 155 HA THR 18 HA THR 18 1.884 -20.326 5.913 156 HB THR 18 HB THR 18 0.678 -18.469 5.146 157 HG1 THR 18 HG1 THR 18 -0.527 -17.208 6.805 158 HG21 THR 18 3HG2 THR 18 -1.600 -18.992 5.515 159 HG22 THR 18 1HG2 THR 18 -1.291 -19.534 7.166 160 HG23 THR 18 2HG2 THR 18 -0.758 -20.515 5.797 161 H ARG 19 H ARG 19 3.146 -18.272 5.338 162 HA ARG 19 HA ARG 19 4.856 -17.567 7.650 163 HB2 ARG 19 2HB ARG 19 5.364 -17.433 4.667 164 HB3 ARG 19 1HB ARG 19 6.509 -16.927 5.912 165 HG2 ARG 19 2HG ARG 19 6.549 -19.190 6.838 166 HG3 ARG 19 1HG ARG 19 5.334 -19.711 5.670 167 HD2 ARG 19 2HD ARG 19 7.545 -20.374 4.879 168 HD3 ARG 19 1HD ARG 19 6.890 -19.124 3.824 169 HE ARG 19 HE ARG 19 8.522 -17.637 4.619 170 HH11 ARG 19 1HH2 ARG 19 8.474 -20.599 6.413 171 HH12 ARG 19 2HH2 ARG 19 9.971 -20.290 7.224 172 HH21 ARG 19 1HH1 ARG 19 10.483 -17.227 5.684 173 HH22 ARG 19 2HH1 ARG 19 11.109 -18.381 6.813 174 H LYS 20 H LYS 20 5.092 -15.504 8.294 175 HA LYS 20 HA LYS 20 3.455 -13.467 6.909 176 HB2 LYS 20 2HB LYS 20 3.361 -14.182 9.528 177 HB3 LYS 20 1HB LYS 20 4.579 -12.916 9.628 178 HG2 LYS 20 2HG LYS 20 3.063 -11.317 8.574 179 HG3 LYS 20 1HG LYS 20 1.859 -12.581 8.320 180 HD2 LYS 20 2HD LYS 20 1.768 -12.926 10.796 181 HD3 LYS 20 1HD LYS 20 2.842 -11.536 10.982 182 HE2 LYS 20 2HE LYS 20 1.224 -10.076 9.913 183 HE3 LYS 20 1HE LYS 20 0.177 -11.443 9.546 184 HZ1 LYS 20 3HZ LYS 20 0.739 -10.171 12.133 185 HZ2 LYS 20 1HZ LYS 20 0.301 -11.811 12.090 186 HZ3 LYS 20 2HZ LYS 20 -0.751 -10.636 11.458 187 H ILE 21 H ILE 21 4.457 -12.007 5.747 188 HA ILE 21 HA ILE 21 7.356 -11.577 6.107 189 HB ILE 21 HB ILE 21 7.379 -10.711 3.885 190 HG12 ILE 21 2HG1 ILE 21 4.817 -10.932 2.799 191 HG13 ILE 21 1HG1 ILE 21 4.479 -10.307 4.404 192 HG21 ILE 21 1HG2 ILE 21 5.456 -13.050 3.835 193 HG22 ILE 21 2HG2 ILE 21 7.158 -13.213 4.266 194 HG23 ILE 21 3HG2 ILE 21 6.707 -12.652 2.656 195 HD11 ILE 21 3HD1 ILE 21 6.418 -9.088 2.414 196 HD12 ILE 21 1HD1 ILE 21 6.065 -8.453 4.021 197 HD13 ILE 21 2HD1 ILE 21 4.806 -8.475 2.790 198 H LYS 22 H LYS 22 8.212 -9.480 6.282 199 HA LYS 22 HA LYS 22 6.285 -7.330 6.923 200 HB2 LYS 22 2HB LYS 22 7.627 -6.665 8.811 201 HB3 LYS 22 1HB LYS 22 7.179 -8.361 9.006 202 HG2 LYS 22 2HG LYS 22 9.391 -8.986 7.983 203 HG3 LYS 22 1HG LYS 22 9.841 -7.281 8.033 204 HD2 LYS 22 2HD LYS 22 9.070 -8.976 10.422 205 HD3 LYS 22 1HD LYS 22 10.702 -8.450 10.012 206 HE2 LYS 22 2HE LYS 22 9.666 -6.042 10.055 207 HE3 LYS 22 1HE LYS 22 8.381 -6.806 10.993 208 HZ1 LYS 22 3HZ LYS 22 11.276 -6.761 11.634 209 HZ2 LYS 22 1HZ LYS 22 10.138 -7.699 12.470 210 HZ3 LYS 22 2HZ LYS 22 10.021 -6.003 12.493 211 H ILE 23 H ILE 23 8.136 -8.092 4.604 212 HA ILE 23 HA ILE 23 9.961 -5.787 4.572 213 HB ILE 23 HB ILE 23 9.562 -8.120 2.688 214 HG12 ILE 23 2HG1 ILE 23 11.881 -8.651 3.421 215 HG13 ILE 23 1HG1 ILE 23 11.836 -7.267 4.512 216 HG21 ILE 23 1HG2 ILE 23 10.175 -6.327 1.253 217 HG22 ILE 23 2HG2 ILE 23 11.698 -7.132 1.629 218 HG23 ILE 23 3HG2 ILE 23 11.266 -5.635 2.454 219 HD11 ILE 23 3HD1 ILE 23 11.239 -9.692 5.395 220 HD12 ILE 23 1HD1 ILE 23 9.655 -9.327 4.711 221 HD13 ILE 23 2HD1 ILE 23 10.338 -8.289 5.965 222 H THR 24 H THR 24 9.352 -3.918 3.734 223 HA THR 24 HA THR 24 7.484 -3.858 1.462 224 HB THR 24 HB THR 24 7.122 -2.177 3.956 225 HG1 THR 24 HG1 THR 24 5.989 -4.551 3.012 226 HG21 THR 24 3HG2 THR 24 5.680 -2.369 1.306 227 HG22 THR 24 1HG2 THR 24 6.405 -0.941 2.042 228 HG23 THR 24 2HG2 THR 24 4.943 -1.644 2.735 229 H PHE 25 H PHE 25 8.030 -2.368 -0.024 230 HA PHE 25 HA PHE 25 10.350 -0.640 0.547 231 HB2 PHE 25 2HB PHE 25 10.351 -2.164 -1.451 232 HB3 PHE 25 1HB PHE 25 9.016 -1.212 -2.104 233 HD1 PHE 25 HD2 PHE 25 9.342 1.211 -2.622 234 HD2 PHE 25 HD1 PHE 25 12.605 -1.334 -1.472 235 HE1 PHE 25 HE2 PHE 25 10.953 2.891 -3.478 236 HE2 PHE 25 HE1 PHE 25 14.217 0.346 -2.323 237 HZ PHE 25 HZ PHE 25 13.392 2.458 -3.327 238 H ALA 26 H ALA 26 9.996 1.422 1.040 239 HA ALA 26 HA ALA 26 7.439 2.692 0.264 240 HB1 ALA 26 3HB ALA 26 8.147 2.600 2.696 241 HB2 ALA 26 1HB ALA 26 7.781 4.207 2.070 242 HB3 ALA 26 2HB ALA 26 9.458 3.699 2.268 243 H LEU 27 H LEU 27 7.397 4.646 -0.791 244 HA LEU 27 HA LEU 27 9.500 5.170 -2.617 245 HB2 LEU 27 2HB LEU 27 6.968 6.599 -1.842 246 HB3 LEU 27 1HB LEU 27 8.113 7.366 -2.941 247 HG LEU 27 HG LEU 27 6.315 6.047 -4.107 248 HD11 LEU 27 1HD1 LEU 27 8.788 4.526 -4.779 249 HD12 LEU 27 2HD1 LEU 27 8.949 6.277 -4.808 250 HD13 LEU 27 3HD1 LEU 27 7.740 5.491 -5.813 251 HD21 LEU 27 3HD2 LEU 27 6.321 4.274 -2.249 252 HD22 LEU 27 1HD2 LEU 27 7.750 3.605 -3.038 253 HD23 LEU 27 2HD2 LEU 27 6.215 3.670 -3.902 254 H ASP 28 H ASP 28 8.500 6.724 0.395 255 HA ASP 28 HA ASP 28 11.173 7.876 0.681 256 HB2 ASP 28 2HB ASP 28 8.661 9.566 0.649 257 HB3 ASP 28 1HB ASP 28 10.254 10.131 1.149 258 H ALA 29 H ALA 29 10.922 9.384 2.839 259 HA ALA 29 HA ALA 29 10.572 7.539 4.945 260 HB1 ALA 29 3HB ALA 29 12.071 9.470 5.118 261 HB2 ALA 29 1HB ALA 29 10.884 9.494 6.421 262 HB3 ALA 29 2HB ALA 29 10.690 10.565 5.032 263 H THR 30 H THR 30 8.481 10.052 3.612 264 HA THR 30 HA THR 30 6.502 10.073 5.606 265 HB THR 30 HB THR 30 5.250 11.346 4.121 266 HG1 THR 30 HG1 THR 30 5.746 10.869 1.729 267 HG21 THR 30 3HG2 THR 30 7.745 12.057 4.211 268 HG22 THR 30 1HG2 THR 30 6.727 12.758 2.955 269 HG23 THR 30 2HG2 THR 30 7.823 11.434 2.564 270 H PHE 31 H PHE 31 6.724 8.170 2.600 271 HA PHE 31 HA PHE 31 4.334 6.723 3.047 272 HB2 PHE 31 2HB PHE 31 6.744 6.171 1.315 273 HB3 PHE 31 1HB PHE 31 5.318 5.135 1.338 274 HD1 PHE 31 HD2 PHE 31 3.103 6.034 0.628 275 HD2 PHE 31 HD1 PHE 31 6.715 8.322 0.249 276 HE1 PHE 31 HE2 PHE 31 1.958 7.578 -0.938 277 HE2 PHE 31 HE1 PHE 31 5.572 9.869 -1.316 278 HZ PHE 31 HZ PHE 31 3.193 9.498 -1.911 279 H ASP 32 H ASP 32 7.674 6.238 3.992 280 HA ASP 32 HA ASP 32 7.544 3.537 4.759 281 HB2 ASP 32 2HB ASP 32 9.658 4.757 4.606 282 HB3 ASP 32 1HB ASP 32 9.178 5.789 5.950 283 H SER 33 H SER 33 6.911 6.507 6.622 284 HA SER 33 HA SER 33 6.240 5.147 9.034 285 HB2 SER 33 2HB SER 33 5.470 7.918 8.100 286 HB3 SER 33 1HB SER 33 5.312 7.310 9.746 287 HG SER 33 HG SER 33 7.333 8.530 8.955 288 H VAL 34 H VAL 34 4.312 6.412 6.329 289 HA VAL 34 HA VAL 34 1.769 5.932 7.455 290 HB VAL 34 HB VAL 34 2.707 6.009 4.579 291 HG11 VAL 34 1HG1 VAL 34 -0.061 5.764 5.767 292 HG12 VAL 34 2HG1 VAL 34 0.675 4.780 4.502 293 HG13 VAL 34 3HG1 VAL 34 0.214 6.446 4.166 294 HG21 VAL 34 3HG2 VAL 34 1.909 8.264 4.607 295 HG22 VAL 34 1HG2 VAL 34 2.854 8.074 6.084 296 HG23 VAL 34 2HG2 VAL 34 1.094 8.029 6.154 297 H LEU 35 H LEU 35 3.752 3.908 5.284 298 HA LEU 35 HA LEU 35 1.941 1.731 5.218 299 HB2 LEU 35 2HB LEU 35 4.780 2.198 4.450 300 HB3 LEU 35 1HB LEU 35 4.299 0.520 4.670 301 HG LEU 35 HG LEU 35 4.017 1.361 2.316 302 HD11 LEU 35 1HD1 LEU 35 1.207 0.814 3.043 303 HD12 LEU 35 2HD1 LEU 35 2.336 -0.305 3.790 304 HD13 LEU 35 3HD1 LEU 35 2.321 -0.120 2.046 305 HD21 LEU 35 3HD2 LEU 35 1.601 2.911 3.231 306 HD22 LEU 35 1HD2 LEU 35 2.557 3.097 1.763 307 HD23 LEU 35 2HD2 LEU 35 3.175 3.682 3.297 308 H SER 36 H SER 36 4.687 2.484 7.295 309 HA SER 36 HA SER 36 4.797 0.047 8.678 310 HB2 SER 36 2HB SER 36 6.603 1.545 8.977 311 HB3 SER 36 1HB SER 36 5.536 2.871 9.429 312 HG SER 36 HG SER 36 6.333 2.074 11.314 313 H LYS 37 H LYS 37 2.897 2.973 9.250 314 HA LYS 37 HA LYS 37 1.702 1.976 11.661 315 HB2 LYS 37 2HB LYS 37 2.012 4.435 10.988 316 HB3 LYS 37 1HB LYS 37 0.603 4.206 9.958 317 HG2 LYS 37 2HG LYS 37 -0.432 4.932 11.914 318 HG3 LYS 37 1HG LYS 37 -0.468 3.190 12.168 319 HD2 LYS 37 2HD LYS 37 1.597 3.340 13.514 320 HD3 LYS 37 1HD LYS 37 1.653 5.079 13.237 321 HE2 LYS 37 2HE LYS 37 -0.524 5.333 14.366 322 HE3 LYS 37 1HE LYS 37 -0.587 3.590 14.638 323 HZ1 LYS 37 3HZ LYS 37 1.886 4.625 15.520 324 HZ2 LYS 37 1HZ LYS 37 0.696 3.810 16.410 325 HZ3 LYS 37 2HZ LYS 37 0.618 5.498 16.237 326 H ALA 38 H ALA 38 0.907 1.932 8.262 327 HA ALA 38 HA ALA 38 -1.814 1.030 8.700 328 HB1 ALA 38 3HB ALA 38 -1.420 2.399 6.768 329 HB2 ALA 38 1HB ALA 38 -1.797 0.773 6.200 330 HB3 ALA 38 2HB ALA 38 -0.126 1.338 6.215 331 H CYS 39 H CYS 39 0.286 -0.479 6.338 332 HA CYS 39 HA CYS 39 -0.252 -3.110 7.595 333 HB2 CYS 39 2HB CYS 39 0.493 -2.540 4.727 334 HB3 CYS 39 1HB CYS 39 -0.052 -4.073 5.412 335 HG CYS 39 HG CYS 39 -2.140 -2.894 4.364 336 H SER 40 H SER 40 1.508 -3.250 8.967 337 HA SER 40 HA SER 40 4.209 -2.830 7.925 338 HB2 SER 40 2HB SER 40 3.481 -2.150 10.258 339 HB3 SER 40 1HB SER 40 3.422 -3.861 10.652 340 HG SER 40 HG SER 40 5.585 -4.017 10.274 341 H GLU 41 H GLU 41 1.958 -5.343 8.096 342 HA GLU 41 HA GLU 41 4.033 -7.307 7.416 343 HB2 GLU 41 2HB GLU 41 1.980 -7.726 9.595 344 HB3 GLU 41 1HB GLU 41 3.013 -8.988 8.920 345 HG2 GLU 41 2HG GLU 41 5.016 -7.678 9.596 346 HG3 GLU 41 1HG GLU 41 3.954 -6.483 10.340 347 H PHE 42 H PHE 42 3.193 -9.184 6.318 348 HA PHE 42 HA PHE 42 0.394 -9.042 5.420 349 HB2 PHE 42 2HB PHE 42 2.655 -9.313 3.434 350 HB3 PHE 42 1HB PHE 42 0.944 -9.072 3.102 351 HD1 PHE 42 HD1 PHE 42 3.912 -7.470 4.712 352 HD2 PHE 42 HD2 PHE 42 0.048 -6.889 2.926 353 HE1 PHE 42 HE1 PHE 42 4.252 -5.014 4.768 354 HE2 PHE 42 HE2 PHE 42 0.390 -4.435 2.983 355 HZ PHE 42 HZ PHE 42 2.493 -3.497 3.904 356 H GLU 43 H GLU 43 -0.470 -10.995 5.619 357 HA GLU 43 HA GLU 43 1.093 -13.312 6.163 358 HB2 GLU 43 2HB GLU 43 -1.083 -14.495 6.082 359 HB3 GLU 43 1HB GLU 43 -1.155 -13.049 7.087 360 HG2 GLU 43 2HG GLU 43 -2.069 -11.793 5.120 361 HG3 GLU 43 1HG GLU 43 -2.125 -13.313 4.229 362 H VAL 44 H VAL 44 1.782 -14.911 4.840 363 HA VAL 44 HA VAL 44 0.862 -14.943 2.031 364 HB VAL 44 HB VAL 44 3.747 -15.030 2.945 365 HG11 VAL 44 1HG1 VAL 44 3.482 -16.522 1.085 366 HG12 VAL 44 2HG1 VAL 44 4.127 -15.017 0.428 367 HG13 VAL 44 3HG1 VAL 44 2.415 -15.393 0.251 368 HG21 VAL 44 3HG2 VAL 44 3.904 -12.951 1.574 369 HG22 VAL 44 1HG2 VAL 44 2.821 -12.762 2.952 370 HG23 VAL 44 2HG2 VAL 44 2.158 -13.004 1.336 371 H ASP 45 H ASP 45 0.438 -16.917 1.285 372 HA ASP 45 HA ASP 45 0.359 -19.173 2.949 373 HB2 ASP 45 2HB ASP 45 -0.941 -18.750 0.780 374 HB3 ASP 45 1HB ASP 45 0.500 -19.321 -0.056 375 H LYS 46 H LYS 46 1.461 -21.312 2.262 376 HA LYS 46 HA LYS 46 4.154 -21.212 2.869 377 HB2 LYS 46 2HB LYS 46 4.275 -23.513 2.000 378 HB3 LYS 46 1HB LYS 46 2.826 -23.267 2.972 379 HG2 LYS 46 2HG LYS 46 1.535 -22.860 0.866 380 HG3 LYS 46 1HG LYS 46 2.983 -23.227 -0.058 381 HD2 LYS 46 2HD LYS 46 1.821 -25.273 -0.034 382 HD3 LYS 46 1HD LYS 46 3.038 -25.461 1.225 383 HE2 LYS 46 2HE LYS 46 1.434 -25.098 2.962 384 HE3 LYS 46 1HE LYS 46 0.230 -24.490 1.829 385 HZ1 LYS 46 3HZ LYS 46 -0.503 -26.598 1.974 386 HZ2 LYS 46 1HZ LYS 46 1.007 -27.225 2.428 387 HZ3 LYS 46 2HZ LYS 46 0.690 -26.884 0.796 388 H ASP 47 H ASP 47 2.600 -21.101 -0.309 389 HA ASP 47 HA ASP 47 5.072 -20.037 -1.459 390 HB2 ASP 47 2HB ASP 47 5.103 -22.532 -1.795 391 HB3 ASP 47 1HB ASP 47 3.619 -22.365 -2.730 392 H VAL 48 H VAL 48 4.430 -18.182 -2.304 393 HA VAL 48 HA VAL 48 1.912 -18.109 -3.872 394 HB VAL 48 HB VAL 48 2.996 -15.955 -2.037 395 HG11 VAL 48 1HG1 VAL 48 0.705 -16.056 -4.007 396 HG12 VAL 48 2HG1 VAL 48 1.981 -14.846 -3.874 397 HG13 VAL 48 3HG1 VAL 48 0.712 -14.927 -2.652 398 HG21 VAL 48 3HG2 VAL 48 0.684 -17.895 -1.883 399 HG22 VAL 48 1HG2 VAL 48 0.686 -16.391 -0.961 400 HG23 VAL 48 2HG2 VAL 48 1.942 -17.596 -0.682 401 H THR 49 H THR 49 1.872 -16.420 -5.502 402 HA THR 49 HA THR 49 4.508 -16.106 -6.765 403 HB THR 49 HB THR 49 3.070 -16.945 -8.369 404 HG1 THR 49 HG1 THR 49 3.259 -15.362 -9.707 405 HG21 THR 49 3HG2 THR 49 0.684 -16.134 -8.577 406 HG22 THR 49 1HG2 THR 49 0.935 -15.232 -7.083 407 HG23 THR 49 2HG2 THR 49 1.036 -16.992 -7.077 408 H LEU 50 H LEU 50 5.529 -14.246 -6.708 409 HA LEU 50 HA LEU 50 5.011 -12.037 -5.265 410 HB2 LEU 50 2HB LEU 50 6.334 -10.731 -6.957 411 HB3 LEU 50 1HB LEU 50 7.100 -12.213 -6.405 412 HG LEU 50 HG LEU 50 5.355 -12.571 -8.789 413 HD11 LEU 50 1HD1 LEU 50 7.902 -10.936 -8.997 414 HD12 LEU 50 2HD1 LEU 50 6.270 -10.377 -9.364 415 HD13 LEU 50 3HD1 LEU 50 7.019 -11.623 -10.362 416 HD21 LEU 50 3HD2 LEU 50 8.276 -13.284 -8.384 417 HD22 LEU 50 1HD2 LEU 50 7.127 -14.027 -9.499 418 HD23 LEU 50 2HD2 LEU 50 6.957 -14.272 -7.764 419 H ASP 51 H ASP 51 3.418 -12.943 -8.198 420 HA ASP 51 HA ASP 51 2.369 -10.467 -9.020 421 HB2 ASP 51 2HB ASP 51 1.347 -13.298 -9.279 422 HB3 ASP 51 1HB ASP 51 0.519 -11.923 -10.004 423 H GLU 52 H GLU 52 1.085 -12.929 -6.789 424 HA GLU 52 HA GLU 52 -1.338 -11.588 -6.199 425 HB2 GLU 52 2HB GLU 52 -0.775 -14.009 -5.682 426 HB3 GLU 52 1HB GLU 52 0.181 -13.407 -4.331 427 HG2 GLU 52 2HG GLU 52 -1.962 -13.907 -3.413 428 HG3 GLU 52 1HG GLU 52 -1.919 -12.153 -3.581 429 H LEU 53 H LEU 53 1.860 -11.562 -4.657 430 HA LEU 53 HA LEU 53 1.165 -9.915 -2.478 431 HB2 LEU 53 2HB LEU 53 3.264 -11.172 -2.521 432 HB3 LEU 53 1HB LEU 53 3.833 -10.211 -3.884 433 HG LEU 53 HG LEU 53 3.734 -8.169 -2.484 434 HD11 LEU 53 1HD1 LEU 53 2.066 -8.487 -0.879 435 HD12 LEU 53 2HD1 LEU 53 3.522 -8.710 0.081 436 HD13 LEU 53 3HD1 LEU 53 2.617 -10.115 -0.478 437 HD21 LEU 53 3HD2 LEU 53 5.775 -9.666 -2.593 438 HD22 LEU 53 1HD2 LEU 53 5.264 -10.356 -1.054 439 HD23 LEU 53 2HD2 LEU 53 5.677 -8.644 -1.161 440 H LEU 54 H LEU 54 2.272 -9.184 -5.741 441 HA LEU 54 HA LEU 54 2.629 -6.405 -5.413 442 HB2 LEU 54 2HB LEU 54 2.016 -8.149 -7.789 443 HB3 LEU 54 1HB LEU 54 2.158 -6.405 -7.958 444 HG LEU 54 HG LEU 54 4.301 -8.103 -6.648 445 HD11 LEU 54 1HD1 LEU 54 4.157 -8.959 -8.867 446 HD12 LEU 54 2HD1 LEU 54 5.492 -7.809 -8.893 447 HD13 LEU 54 3HD1 LEU 54 3.921 -7.353 -9.556 448 HD21 LEU 54 3HD2 LEU 54 5.664 -6.029 -7.570 449 HD22 LEU 54 1HD2 LEU 54 4.757 -5.877 -6.070 450 HD23 LEU 54 2HD2 LEU 54 4.093 -5.239 -7.570 451 H ASP 55 H ASP 55 -0.193 -8.314 -6.367 452 HA ASP 55 HA ASP 55 -1.879 -6.032 -6.756 453 HB2 ASP 55 2HB ASP 55 -2.352 -8.152 -7.864 454 HB3 ASP 55 1HB ASP 55 -2.572 -8.940 -6.304 455 H VAL 56 H VAL 56 -1.279 -8.262 -4.088 456 HA VAL 56 HA VAL 56 -3.356 -7.283 -2.393 457 HB VAL 56 HB VAL 56 -0.839 -8.857 -1.830 458 HG11 VAL 56 1HG1 VAL 56 -1.291 -7.758 0.231 459 HG12 VAL 56 2HG1 VAL 56 -2.058 -9.336 0.385 460 HG13 VAL 56 3HG1 VAL 56 -3.034 -7.913 0.021 461 HG21 VAL 56 3HG2 VAL 56 -2.817 -9.829 -3.161 462 HG22 VAL 56 1HG2 VAL 56 -3.729 -9.725 -1.657 463 HG23 VAL 56 2HG2 VAL 56 -2.289 -10.739 -1.747 464 H VAL 57 H VAL 57 0.173 -6.768 -2.327 465 HA VAL 57 HA VAL 57 0.256 -4.956 -0.229 466 HB VAL 57 HB VAL 57 2.237 -6.025 -1.398 467 HG11 VAL 57 1HG1 VAL 57 3.086 -5.099 -3.406 468 HG12 VAL 57 2HG1 VAL 57 2.033 -3.686 -3.300 469 HG13 VAL 57 3HG1 VAL 57 1.362 -5.259 -3.686 470 HG21 VAL 57 3HG2 VAL 57 3.723 -4.148 -0.959 471 HG22 VAL 57 1HG2 VAL 57 2.441 -4.150 0.251 472 HG23 VAL 57 2HG2 VAL 57 2.383 -3.009 -1.093 473 H LEU 58 H LEU 58 -0.190 -4.366 -3.722 474 HA LEU 58 HA LEU 58 -0.289 -1.551 -3.526 475 HB2 LEU 58 2HB LEU 58 -0.031 -2.724 -5.666 476 HB3 LEU 58 1HB LEU 58 -1.651 -3.397 -5.505 477 HG LEU 58 HG LEU 58 -2.610 -1.120 -5.540 478 HD11 LEU 58 1HD1 LEU 58 -0.867 0.686 -6.361 479 HD12 LEU 58 2HD1 LEU 58 0.302 -0.361 -5.559 480 HD13 LEU 58 3HD1 LEU 58 -1.030 0.341 -4.643 481 HD21 LEU 58 3HD2 LEU 58 -2.115 -2.464 -7.652 482 HD22 LEU 58 1HD2 LEU 58 -0.694 -1.443 -7.860 483 HD23 LEU 58 2HD2 LEU 58 -2.305 -0.726 -7.878 484 H ASP 59 H ASP 59 -2.918 -3.945 -3.650 485 HA ASP 59 HA ASP 59 -5.075 -2.225 -3.364 486 HB2 ASP 59 2HB ASP 59 -5.305 -4.634 -3.837 487 HB3 ASP 59 1HB ASP 59 -4.789 -5.004 -2.193 488 H ALA 60 H ALA 60 -3.067 -3.717 -0.854 489 HA ALA 60 HA ALA 60 -4.477 -2.781 1.389 490 HB1 ALA 60 3HB ALA 60 -2.719 -4.495 1.546 491 HB2 ALA 60 1HB ALA 60 -2.360 -3.142 2.620 492 HB3 ALA 60 2HB ALA 60 -1.505 -3.302 1.087 493 H VAL 61 H VAL 61 -1.861 -1.328 -0.515 494 HA VAL 61 HA VAL 61 -1.479 0.961 1.101 495 HB VAL 61 HB VAL 61 -0.982 0.476 -1.844 496 HG11 VAL 61 1HG1 VAL 61 -1.186 2.838 -1.703 497 HG12 VAL 61 2HG1 VAL 61 0.546 2.545 -1.530 498 HG13 VAL 61 3HG1 VAL 61 -0.437 2.891 -0.108 499 HG21 VAL 61 3HG2 VAL 61 0.317 -0.751 0.031 500 HG22 VAL 61 1HG2 VAL 61 1.025 0.823 0.387 501 HG23 VAL 61 2HG2 VAL 61 1.266 0.085 -1.197 502 H GLU 62 H GLU 62 -3.584 0.343 -1.683 503 HA GLU 62 HA GLU 62 -4.607 2.990 -1.858 504 HB2 GLU 62 2HB GLU 62 -4.734 1.291 -3.685 505 HB3 GLU 62 1HB GLU 62 -5.943 0.427 -2.743 506 HG2 GLU 62 2HG GLU 62 -7.407 2.390 -2.772 507 HG3 GLU 62 1HG GLU 62 -6.186 3.308 -3.650 508 H SER 63 H SER 63 -5.598 0.104 -0.087 509 HA SER 63 HA SER 63 -8.138 1.006 0.755 510 HB2 SER 63 2HB SER 63 -7.409 -1.339 0.945 511 HB3 SER 63 1HB SER 63 -6.218 -0.871 2.154 512 HG SER 63 HG SER 63 -7.877 -0.262 3.510 513 H THR 64 H THR 64 -4.993 1.073 2.460 514 HA THR 64 HA THR 64 -6.039 2.640 4.628 515 HB THR 64 HB THR 64 -4.112 1.087 4.872 516 HG1 THR 64 HG1 THR 64 -2.723 3.058 5.704 517 HG21 THR 64 3HG2 THR 64 -1.971 1.625 3.950 518 HG22 THR 64 1HG2 THR 64 -2.534 3.201 3.394 519 HG23 THR 64 2HG2 THR 64 -3.124 1.730 2.619 520 H LEU 65 H LEU 65 -4.214 3.304 1.692 521 HA LEU 65 HA LEU 65 -4.042 6.149 2.322 522 HB2 LEU 65 2HB LEU 65 -2.177 4.669 1.219 523 HB3 LEU 65 1HB LEU 65 -3.093 4.925 -0.257 524 HG LEU 65 HG LEU 65 -3.028 7.415 0.249 525 HD11 LEU 65 1HD1 LEU 65 -1.355 6.382 2.503 526 HD12 LEU 65 2HD1 LEU 65 -2.427 7.773 2.452 527 HD13 LEU 65 3HD1 LEU 65 -0.829 7.870 1.731 528 HD21 LEU 65 3HD2 LEU 65 -0.525 7.550 -0.408 529 HD22 LEU 65 1HD2 LEU 65 -1.608 6.665 -1.480 530 HD23 LEU 65 2HD2 LEU 65 -0.558 5.788 -0.366 531 H SER 66 H SER 66 -6.651 4.996 1.865 532 HA SER 66 HA SER 66 -7.507 5.751 -0.783 533 HB2 SER 66 2HB SER 66 -8.585 4.271 1.393 534 HB3 SER 66 1HB SER 66 -9.716 5.570 1.050 535 HG SER 66 HG SER 66 -8.585 3.806 -0.869 536 HA PRO 67 HA PRO 67 -9.254 9.524 1.522 537 HB2 PRO 67 2HB PRO 67 -8.652 9.943 4.143 538 HB3 PRO 67 1HB PRO 67 -9.966 8.869 3.625 539 HG2 PRO 67 2HG PRO 67 -7.272 8.189 4.667 540 HG3 PRO 67 1HG PRO 67 -8.798 7.308 4.823 541 HD2 PRO 67 2HD PRO 67 -6.719 6.730 2.986 542 HD3 PRO 67 1HD PRO 67 -8.358 6.051 2.948 543 H CYS 68 H CYS 68 -7.477 10.198 0.008 544 HA CYS 68 HA CYS 68 -5.509 11.885 1.435 545 HB2 CYS 68 2HB CYS 68 -4.999 9.929 -0.800 546 HB3 CYS 68 1HB CYS 68 -3.950 11.328 -0.560 547 HG CYS 68 HG CYS 68 -3.832 8.839 1.083 548 H LYS 69 H LYS 69 -7.828 11.458 -1.043 549 HA LYS 69 HA LYS 69 -7.061 13.587 -2.766 550 HB2 LYS 69 2HB LYS 69 -9.321 13.393 -3.676 551 HB3 LYS 69 1HB LYS 69 -8.614 11.793 -3.446 552 HG2 LYS 69 2HG LYS 69 -9.798 11.637 -1.248 553 HG3 LYS 69 1HG LYS 69 -10.583 13.174 -1.599 554 HD2 LYS 69 2HD LYS 69 -11.577 12.211 -3.639 555 HD3 LYS 69 1HD LYS 69 -10.791 10.669 -3.292 556 HE2 LYS 69 2HE LYS 69 -12.022 10.510 -1.165 557 HE3 LYS 69 1HE LYS 69 -12.805 12.056 -1.497 558 HZ1 LYS 69 3HZ LYS 69 -14.017 11.169 -3.228 559 HZ2 LYS 69 1HZ LYS 69 -14.019 9.894 -2.112 560 HZ3 LYS 69 2HZ LYS 69 -12.968 9.850 -3.446 561 H GLU 70 H GLU 70 -8.135 13.622 0.395 562 HA GLU 70 HA GLU 70 -9.819 15.939 0.324 563 HB2 GLU 70 2HB GLU 70 -8.319 14.580 2.573 564 HB3 GLU 70 1HB GLU 70 -9.407 15.948 2.804 565 HG2 GLU 70 2HG GLU 70 -11.263 14.679 1.851 566 HG3 GLU 70 1HG GLU 70 -10.189 13.324 1.504 567 H HIS 71 H HIS 71 -6.376 15.362 0.904 568 HA HIS 71 HA HIS 71 -5.911 18.269 1.162 569 HB2 HIS 71 2HB HIS 71 -4.197 15.858 1.778 570 HB3 HIS 71 1HB HIS 71 -3.601 17.518 1.845 571 HD1 HIS 71 HD1 HIS 71 -4.869 19.136 3.577 572 HD2 HIS 71 HD2 HIS 71 -5.657 15.064 4.019 573 HE1 HIS 71 HE1 HIS 71 -5.920 18.852 5.863 574 H ASP 72 H ASP 72 -5.627 19.218 -0.750 575 HA ASP 72 HA ASP 72 -4.769 17.898 -3.106 576 HB2 ASP 72 2HB ASP 72 -4.572 20.182 -4.043 577 HB3 ASP 72 1HB ASP 72 -6.105 19.935 -3.207 578 H VAL 73 H VAL 73 -3.066 19.769 -0.638 579 HA VAL 73 HA VAL 73 -0.590 19.902 -2.068 580 HB VAL 73 HB VAL 73 -1.207 20.202 0.880 581 HG11 VAL 73 1HG1 VAL 73 1.287 20.703 -0.755 582 HG12 VAL 73 2HG1 VAL 73 1.123 19.729 0.706 583 HG13 VAL 73 3HG1 VAL 73 1.010 21.486 0.801 584 HG21 VAL 73 3HG2 VAL 73 -0.750 22.261 -1.303 585 HG22 VAL 73 1HG2 VAL 73 -1.089 22.605 0.395 586 HG23 VAL 73 2HG2 VAL 73 -2.317 21.846 -0.616 587 H ILE 74 H ILE 74 -1.571 18.015 0.813 588 HA ILE 74 HA ILE 74 0.750 16.366 0.747 589 HB ILE 74 HB ILE 74 -1.908 15.894 2.104 590 HG12 ILE 74 2HG1 ILE 74 0.683 16.969 3.241 591 HG13 ILE 74 1HG1 ILE 74 -0.622 18.010 2.675 592 HG21 ILE 74 1HG2 ILE 74 -0.375 14.480 3.611 593 HG22 ILE 74 2HG2 ILE 74 0.805 14.572 2.302 594 HG23 ILE 74 3HG2 ILE 74 -0.761 13.806 2.027 595 HD11 ILE 74 3HD1 ILE 74 -1.012 15.836 4.742 596 HD12 ILE 74 1HD1 ILE 74 -2.157 17.098 4.285 597 HD13 ILE 74 2HD1 ILE 74 -0.680 17.520 5.152 598 H GLY 75 H GLY 75 -2.611 15.867 -0.294 599 HA2 GLY 75 2HA GLY 75 -2.707 13.263 -1.039 600 HA3 GLY 75 1HA GLY 75 -3.463 14.524 -1.995 601 H THR 76 H THR 76 -3.023 14.075 -4.075 602 HA THR 76 HA THR 76 -1.769 13.945 -6.011 603 HB THR 76 HB THR 76 0.805 13.987 -4.437 604 HG1 THR 76 HG1 THR 76 0.567 16.084 -3.985 605 HG21 THR 76 3HG2 THR 76 1.541 15.335 -6.337 606 HG22 THR 76 1HG2 THR 76 -0.094 15.323 -6.996 607 HG23 THR 76 2HG2 THR 76 0.828 13.823 -6.899 608 H LYS 77 H LYS 77 -0.755 12.078 -3.230 609 HA LYS 77 HA LYS 77 0.610 10.009 -4.514 610 HB2 LYS 77 2HB LYS 77 -0.783 8.860 -2.317 611 HB3 LYS 77 1HB LYS 77 0.876 9.434 -2.339 612 HG2 LYS 77 2HG LYS 77 0.204 11.626 -1.626 613 HG3 LYS 77 1HG LYS 77 -1.508 11.226 -1.828 614 HD2 LYS 77 2HD LYS 77 -1.450 9.667 -0.026 615 HD3 LYS 77 1HD LYS 77 0.310 9.732 0.065 616 HE2 LYS 77 2HE LYS 77 -1.485 12.117 0.551 617 HE3 LYS 77 1HE LYS 77 -0.834 11.109 1.837 618 HZ1 LYS 77 3HZ LYS 77 0.770 12.704 1.708 619 HZ2 LYS 77 1HZ LYS 77 0.547 12.973 0.051 620 HZ3 LYS 77 2HZ LYS 77 1.394 11.602 0.577 621 H VAL 78 H VAL 78 -2.787 10.694 -4.198 622 HA VAL 78 HA VAL 78 -3.804 8.140 -4.798 623 HB VAL 78 HB VAL 78 -4.941 10.891 -5.355 624 HG11 VAL 78 1HG1 VAL 78 -7.132 9.587 -5.366 625 HG12 VAL 78 2HG1 VAL 78 -6.157 8.127 -5.527 626 HG13 VAL 78 3HG1 VAL 78 -6.105 9.367 -6.782 627 HG21 VAL 78 3HG2 VAL 78 -4.657 10.603 -3.007 628 HG22 VAL 78 1HG2 VAL 78 -5.184 8.921 -3.071 629 HG23 VAL 78 2HG2 VAL 78 -6.349 10.221 -3.322 630 H CYS 79 H CYS 79 -3.077 10.922 -6.899 631 HA CYS 79 HA CYS 79 -3.797 9.686 -9.334 632 HB2 CYS 79 2HB CYS 79 -1.846 11.931 -8.762 633 HB3 CYS 79 1HB CYS 79 -2.375 11.461 -10.377 634 HG CYS 79 HG CYS 79 -4.165 13.143 -9.852 635 H ALA 80 H ALA 80 -0.790 9.794 -7.487 636 HA ALA 80 HA ALA 80 0.912 8.655 -9.422 637 HB1 ALA 80 3HB ALA 80 1.892 9.617 -7.467 638 HB2 ALA 80 1HB ALA 80 2.242 7.892 -7.401 639 HB3 ALA 80 2HB ALA 80 0.957 8.569 -6.401 640 H LEU 81 H LEU 81 -1.104 7.144 -6.920 641 HA LEU 81 HA LEU 81 -0.323 4.478 -7.420 642 HB2 LEU 81 2HB LEU 81 -1.523 5.166 -5.400 643 HB3 LEU 81 1HB LEU 81 -2.942 5.561 -6.362 644 HG LEU 81 HG LEU 81 -1.924 2.807 -6.826 645 HD11 LEU 81 1HD1 LEU 81 -1.439 3.010 -4.414 646 HD12 LEU 81 2HD1 LEU 81 -2.764 1.892 -4.721 647 HD13 LEU 81 3HD1 LEU 81 -3.104 3.513 -4.123 648 HD21 LEU 81 3HD2 LEU 81 -4.651 3.903 -6.045 649 HD22 LEU 81 1HD2 LEU 81 -4.320 2.271 -6.627 650 HD23 LEU 81 2HD2 LEU 81 -4.088 3.651 -7.697 651 H LEU 82 H LEU 82 -2.951 6.456 -8.732 652 HA LEU 82 HA LEU 82 -4.098 4.406 -10.314 653 HB2 LEU 82 2HB LEU 82 -4.241 7.399 -10.266 654 HB3 LEU 82 1HB LEU 82 -4.826 6.579 -11.712 655 HG LEU 82 HG LEU 82 -6.239 5.119 -10.137 656 HD11 LEU 82 1HD1 LEU 82 -4.901 5.852 -8.089 657 HD12 LEU 82 2HD1 LEU 82 -6.650 5.910 -7.920 658 HD13 LEU 82 3HD1 LEU 82 -5.744 7.395 -8.210 659 HD21 LEU 82 3HD2 LEU 82 -7.948 6.946 -9.869 660 HD22 LEU 82 1HD2 LEU 82 -7.263 6.842 -11.492 661 HD23 LEU 82 2HD2 LEU 82 -6.718 8.099 -10.385 662 H ASP 83 H ASP 83 -1.501 6.708 -10.904 663 HA ASP 83 HA ASP 83 -1.198 6.211 -13.665 664 HB2 ASP 83 2HB ASP 83 0.740 7.134 -11.541 665 HB3 ASP 83 1HB ASP 83 1.168 7.026 -13.247 666 H ARG 84 H ARG 84 0.227 4.672 -10.796 667 HA ARG 84 HA ARG 84 1.983 2.956 -12.174 668 HB2 ARG 84 2HB ARG 84 0.662 2.738 -9.478 669 HB3 ARG 84 1HB ARG 84 1.808 1.533 -10.078 670 HG2 ARG 84 2HG ARG 84 3.491 3.335 -10.407 671 HG3 ARG 84 1HG ARG 84 2.353 4.498 -9.726 672 HD2 ARG 84 2HD ARG 84 3.219 2.016 -8.238 673 HD3 ARG 84 1HD ARG 84 4.089 3.538 -8.107 674 HE ARG 84 HE ARG 84 1.434 2.943 -7.030 675 HH11 ARG 84 1HH2 ARG 84 3.864 5.287 -7.815 676 HH12 ARG 84 2HH2 ARG 84 3.249 6.490 -6.733 677 HH21 ARG 84 1HH1 ARG 84 0.625 4.529 -5.606 678 HH22 ARG 84 2HH1 ARG 84 1.418 6.064 -5.489 679 H LEU 85 H LEU 85 -1.322 2.423 -10.992 680 HA LEU 85 HA LEU 85 -1.470 -0.232 -12.042 681 HB2 LEU 85 2HB LEU 85 -2.932 1.124 -10.216 682 HB3 LEU 85 1HB LEU 85 -3.989 1.316 -11.608 683 HG LEU 85 HG LEU 85 -2.927 -1.315 -10.530 684 HD11 LEU 85 1HD1 LEU 85 -5.778 -0.298 -10.600 685 HD12 LEU 85 2HD1 LEU 85 -4.724 -0.121 -9.196 686 HD13 LEU 85 3HD1 LEU 85 -5.164 -1.729 -9.771 687 HD21 LEU 85 3HD2 LEU 85 -3.178 -1.692 -12.833 688 HD22 LEU 85 1HD2 LEU 85 -4.553 -0.592 -12.968 689 HD23 LEU 85 2HD2 LEU 85 -4.748 -2.168 -12.202 690 H ALA 86 H ALA 86 -2.125 2.943 -13.315 691 HA ALA 86 HA ALA 86 -3.802 2.323 -15.454 692 HB1 ALA 86 3HB ALA 86 -3.390 4.619 -14.845 693 HB2 ALA 86 1HB ALA 86 -2.850 4.384 -16.507 694 HB3 ALA 86 2HB ALA 86 -1.673 4.452 -15.200 695 H GLY 87 H GLY 87 -0.240 2.426 -15.337 696 HA2 GLY 87 2HA GLY 87 -0.077 0.372 -17.359 697 HA3 GLY 87 1HA GLY 87 0.433 1.956 -17.935 698 H ASP 88 H ASP 88 1.766 3.035 -15.842 699 HA ASP 88 HA ASP 88 4.326 2.170 -15.980 700 HB2 ASP 88 2HB ASP 88 2.803 3.818 -14.141 701 HB3 ASP 88 1HB ASP 88 4.026 2.920 -13.244 702 H TYR 89 H TYR 89 2.502 1.372 -13.015 703 HA TYR 89 HA TYR 89 2.461 -0.507 -11.728 704 HB2 TYR 89 2HB TYR 89 1.856 -1.495 -14.024 705 HB3 TYR 89 1HB TYR 89 3.528 -2.048 -14.092 706 HD1 TYR 89 HD1 TYR 89 0.361 -2.264 -12.193 707 HD2 TYR 89 HD2 TYR 89 4.298 -3.882 -12.749 708 HE1 TYR 89 HE1 TYR 89 -0.233 -4.193 -10.757 709 HE2 TYR 89 HE2 TYR 89 3.704 -5.816 -11.314 710 HH TYR 89 HH TYR 89 0.528 -6.554 -10.453 711 H VAL 90 H VAL 90 3.904 -2.174 -10.754 712 HA VAL 90 HA VAL 90 6.771 -1.442 -11.003 713 HB VAL 90 HB VAL 90 5.961 -0.490 -8.945 714 HG11 VAL 90 1HG1 VAL 90 4.899 -2.053 -7.230 715 HG12 VAL 90 2HG1 VAL 90 4.689 -3.203 -8.550 716 HG13 VAL 90 3HG1 VAL 90 3.890 -1.632 -8.615 717 HG21 VAL 90 3HG2 VAL 90 7.194 -3.133 -8.144 718 HG22 VAL 90 1HG2 VAL 90 7.419 -1.552 -7.392 719 HG23 VAL 90 2HG2 VAL 90 8.119 -1.885 -8.971 720 H TYR 91 H TYR 91 8.266 -3.115 -10.442 721 HA TYR 91 HA TYR 91 7.148 -5.859 -10.672 722 HB2 TYR 91 2HB TYR 91 9.849 -5.023 -11.711 723 HB3 TYR 91 1HB TYR 91 8.923 -6.475 -12.099 724 HD1 TYR 91 HD2 TYR 91 6.335 -5.735 -12.856 725 HD2 TYR 91 HD1 TYR 91 9.967 -3.520 -13.490 726 HE1 TYR 91 HE2 TYR 91 5.283 -4.552 -14.763 727 HE2 TYR 91 HE1 TYR 91 8.907 -2.335 -15.395 728 HH TYR 91 HH TYR 91 6.968 -2.876 -17.043 729 H LEU 92 H LEU 92 7.904 -7.353 -9.282 730 HA LEU 92 HA LEU 92 9.869 -6.457 -7.270 731 HB2 LEU 92 2HB LEU 92 7.611 -6.989 -6.426 732 HB3 LEU 92 1HB LEU 92 7.760 -8.614 -7.082 733 HG LEU 92 HG LEU 92 10.038 -7.775 -5.350 734 HD11 LEU 92 1HD1 LEU 92 8.613 -8.358 -3.279 735 HD12 LEU 92 2HD1 LEU 92 7.222 -7.980 -4.289 736 HD13 LEU 92 3HD1 LEU 92 8.438 -6.742 -3.966 737 HD21 LEU 92 3HD2 LEU 92 9.484 -10.121 -6.349 738 HD22 LEU 92 1HD2 LEU 92 8.292 -10.231 -5.059 739 HD23 LEU 92 2HD2 LEU 92 10.002 -10.045 -4.670 740 H PHE 93 H PHE 93 11.756 -7.433 -7.142 741 HA PHE 93 HA PHE 93 12.077 -10.117 -8.336 742 HB2 PHE 93 2HB PHE 93 13.800 -7.684 -8.771 743 HB3 PHE 93 1HB PHE 93 14.389 -9.324 -9.057 744 HD1 PHE 93 HD2 PHE 93 13.141 -10.816 -10.670 745 HD2 PHE 93 HD1 PHE 93 12.378 -6.600 -10.356 746 HE1 PHE 93 HE2 PHE 93 12.033 -10.852 -12.888 747 HE2 PHE 93 HE1 PHE 93 11.272 -6.640 -12.577 748 HZ PHE 93 HZ PHE 93 11.097 -8.763 -13.840 749 H ASP 94 H ASP 94 13.771 -11.393 -7.450 750 HA ASP 94 HA ASP 94 14.082 -11.038 -4.625 751 HB2 ASP 94 2HB ASP 94 13.893 -13.261 -5.775 752 HB3 ASP 94 1HB ASP 94 15.508 -13.000 -6.433 753 H GLU 95 H GLU 95 16.430 -11.485 -3.745 754 HA GLU 95 HA GLU 95 17.944 -9.163 -4.223 755 HB2 GLU 95 2HB GLU 95 17.951 -10.707 -2.162 756 HB3 GLU 95 1HB GLU 95 19.085 -11.709 -3.067 757 HG2 GLU 95 2HG GLU 95 19.498 -8.746 -2.554 758 HG3 GLU 95 1HG GLU 95 20.183 -10.021 -1.550 759 H GLY 96 H GLY 96 18.351 -12.497 -5.377 760 HA2 GLY 96 2HA GLY 96 20.774 -11.923 -6.810 761 HA3 GLY 96 1HA GLY 96 19.815 -13.395 -6.927 762 H GLY 97 H GLY 97 17.708 -10.911 -7.338 763 HA2 GLY 97 2HA GLY 97 16.918 -9.707 -9.182 764 HA3 GLY 97 1HA GLY 97 18.229 -10.370 -10.153 765 H ASP 98 H ASP 98 16.955 -12.933 -8.547 766 HA ASP 98 HA ASP 98 15.465 -13.818 -10.902 767 HB2 ASP 98 2HB ASP 98 17.158 -15.257 -9.652 768 HB3 ASP 98 1HB ASP 98 15.972 -15.369 -8.364 769 H GLU 99 H GLU 99 13.405 -13.160 -10.993 770 HA GLU 99 HA GLU 99 11.767 -12.259 -8.986 771 HB2 GLU 99 2HB GLU 99 9.863 -13.204 -10.495 772 HB3 GLU 99 1HB GLU 99 10.930 -11.965 -11.152 773 HG2 GLU 99 2HG GLU 99 12.275 -13.632 -12.282 774 HG3 GLU 99 1HG GLU 99 11.375 -14.939 -11.515 775 H VAL 100 H VAL 100 12.106 -13.474 -7.093 776 HA VAL 100 HA VAL 100 10.357 -15.793 -6.881 777 HB VAL 100 HB VAL 100 13.333 -15.935 -6.334 778 HG11 VAL 100 1HG1 VAL 100 12.696 -18.322 -5.607 779 HG12 VAL 100 2HG1 VAL 100 11.041 -17.726 -5.485 780 HG13 VAL 100 3HG1 VAL 100 12.307 -17.026 -4.477 781 HG21 VAL 100 3HG2 VAL 100 12.885 -16.451 -8.624 782 HG22 VAL 100 1HG2 VAL 100 11.435 -17.365 -8.216 783 HG23 VAL 100 2HG2 VAL 100 13.025 -18.010 -7.815 784 H ILE 101 H ILE 101 9.317 -15.754 -5.023 785 HA ILE 101 HA ILE 101 9.589 -13.652 -3.168 786 HB ILE 101 HB ILE 101 8.271 -16.359 -2.832 787 HG12 ILE 101 2HG1 ILE 101 6.205 -14.891 -3.206 788 HG13 ILE 101 1HG1 ILE 101 7.312 -13.624 -3.724 789 HG21 ILE 101 1HG2 ILE 101 8.226 -13.845 -1.144 790 HG22 ILE 101 2HG2 ILE 101 8.607 -15.490 -0.634 791 HG23 ILE 101 3HG2 ILE 101 6.952 -15.062 -1.059 792 HD11 ILE 101 3HD1 ILE 101 7.890 -14.737 -5.673 793 HD12 ILE 101 1HD1 ILE 101 6.240 -15.300 -5.477 794 HD13 ILE 101 2HD1 ILE 101 7.571 -16.333 -4.999 795 H ALA 102 H ALA 102 11.041 -13.324 -1.621 796 HA ALA 102 HA ALA 102 12.090 -15.570 -0.109 797 HB1 ALA 102 3HB ALA 102 14.132 -15.706 -1.088 798 HB2 ALA 102 1HB ALA 102 14.382 -13.968 -0.914 799 HB3 ALA 102 2HB ALA 102 13.550 -14.599 -2.332 800 HA PRO 103 HA PRO 103 12.435 -12.865 3.346 801 HB2 PRO 103 2HB PRO 103 15.426 -13.118 3.309 802 HB3 PRO 103 1HB PRO 103 14.291 -13.390 4.644 803 HG2 PRO 103 2HG PRO 103 15.420 -15.428 3.354 804 HG3 PRO 103 1HG PRO 103 13.735 -15.509 3.908 805 HD2 PRO 103 2HD PRO 103 14.782 -15.138 1.128 806 HD3 PRO 103 1HD PRO 103 13.305 -15.951 1.688 807 H ARG 104 H ARG 104 15.017 -12.260 0.963 808 HA ARG 104 HA ARG 104 14.802 -9.349 1.463 809 HB2 ARG 104 2HB ARG 104 16.950 -10.912 0.006 810 HB3 ARG 104 1HB ARG 104 16.977 -9.187 0.355 811 HG2 ARG 104 2HG ARG 104 16.669 -11.180 2.600 812 HG3 ARG 104 1HG ARG 104 18.264 -10.832 1.945 813 HD2 ARG 104 2HD ARG 104 16.340 -8.766 3.062 814 HD3 ARG 104 1HD ARG 104 17.761 -9.390 3.884 815 HE ARG 104 HE ARG 104 18.594 -8.409 1.398 816 HH11 ARG 104 1HH2 ARG 104 17.176 -7.304 4.348 817 HH12 ARG 104 2HH2 ARG 104 17.879 -5.723 4.256 818 HH21 ARG 104 1HH1 ARG 104 19.519 -6.342 1.264 819 HH22 ARG 104 2HH1 ARG 104 19.208 -5.179 2.508 820 H MET 105 H MET 105 13.168 -8.653 0.215 821 HA MET 105 HA MET 105 13.108 -9.445 -2.634 822 HB2 MET 105 2HB MET 105 11.012 -8.043 -0.960 823 HB3 MET 105 1HB MET 105 10.832 -8.565 -2.634 824 HG2 MET 105 2HG MET 105 11.384 -10.921 -1.818 825 HG3 MET 105 1HG MET 105 11.175 -10.296 -0.182 826 HE1 MET 105 3HE MET 105 8.655 -8.021 -0.971 827 HE2 MET 105 1HE MET 105 9.321 -8.825 0.461 828 HE3 MET 105 2HE MET 105 7.633 -9.067 0.023 829 H TYR 106 H TYR 106 13.091 -7.905 -4.240 830 HA TYR 106 HA TYR 106 13.855 -5.152 -3.450 831 HB2 TYR 106 2HB TYR 106 15.773 -6.195 -4.444 832 HB3 TYR 106 1HB TYR 106 14.808 -6.872 -5.751 833 HD1 TYR 106 HD1 TYR 106 15.588 -3.551 -4.186 834 HD2 TYR 106 HD2 TYR 106 14.760 -5.725 -7.799 835 HE1 TYR 106 HE1 TYR 106 15.938 -1.487 -5.510 836 HE2 TYR 106 HE2 TYR 106 15.110 -3.656 -9.127 837 HH TYR 106 HH TYR 106 14.905 -0.813 -8.172 838 H CYS 107 H CYS 107 11.851 -4.221 -3.586 839 HA CYS 107 HA CYS 107 10.228 -4.594 -5.987 840 HB2 CYS 107 2HB CYS 107 9.173 -4.526 -3.731 841 HB3 CYS 107 1HB CYS 107 9.709 -2.855 -3.580 842 HG CYS 107 HG CYS 107 8.281 -2.562 -5.965 843 H SER 108 H SER 108 10.528 -3.357 -7.718 844 HA SER 108 HA SER 108 10.915 -0.503 -7.471 845 HB2 SER 108 2HB SER 108 13.230 -1.251 -7.167 846 HB3 SER 108 1HB SER 108 13.135 -2.190 -8.655 847 HG SER 108 HG SER 108 12.736 -0.219 -9.757 848 H PHE 109 H PHE 109 10.866 0.585 -9.564 849 HA PHE 109 HA PHE 109 9.117 -0.823 -11.420 850 HB2 PHE 109 2HB PHE 109 10.173 1.981 -11.766 851 HB3 PHE 109 1HB PHE 109 8.659 1.292 -12.354 852 HD1 PHE 109 HD1 PHE 109 10.482 2.460 -9.353 853 HD2 PHE 109 HD2 PHE 109 6.715 1.142 -10.940 854 HE1 PHE 109 HE1 PHE 109 9.348 3.213 -7.280 855 HE2 PHE 109 HE2 PHE 109 5.580 1.895 -8.867 856 HZ PHE 109 HZ PHE 109 6.896 2.931 -7.038 857 H SER 110 H SER 110 11.668 -1.951 -11.355 858 HA SER 110 HA SER 110 12.519 -1.502 -14.126 859 HB2 SER 110 2HB SER 110 14.432 -1.415 -11.782 860 HB3 SER 110 1HB SER 110 14.890 -1.416 -13.482 861 HG SER 110 HG SER 110 14.647 0.691 -12.300 862 H ALA 111 H ALA 111 14.412 -3.168 -14.544 863 HA ALA 111 HA ALA 111 13.433 -5.756 -13.526 864 HB1 ALA 111 3HB ALA 111 13.812 -4.835 -16.166 865 HB2 ALA 111 1HB ALA 111 13.445 -6.486 -15.673 866 HB3 ALA 111 2HB ALA 111 15.120 -5.982 -15.895 867 HA PRO 112 HA PRO 112 17.222 -7.054 -11.698 868 HB2 PRO 112 2HB PRO 112 17.669 -9.049 -13.894 869 HB3 PRO 112 1HB PRO 112 17.631 -9.297 -12.137 870 HG2 PRO 112 2HG PRO 112 15.592 -10.041 -13.676 871 HG3 PRO 112 1HG PRO 112 15.322 -9.354 -12.062 872 HD2 PRO 112 2HD PRO 112 14.926 -8.072 -14.742 873 HD3 PRO 112 1HD PRO 112 14.030 -7.844 -13.227 874 H ASP 113 H ASP 113 17.443 -6.818 -15.243 875 HA ASP 113 HA ASP 113 20.283 -6.152 -15.141 876 HB2 ASP 113 2HB ASP 113 20.059 -6.005 -17.613 877 HB3 ASP 113 1HB ASP 113 19.517 -7.554 -16.968 878 H ASP 114 H ASP 114 17.539 -4.478 -14.518 879 HA ASP 114 HA ASP 114 16.945 -2.259 -14.530 880 HB2 ASP 114 2HB ASP 114 19.957 -1.991 -14.614 881 HB3 ASP 114 1HB ASP 114 18.843 -0.669 -14.259 Start of MODEL 16 1 HA2 GLY 1 2HA GLY 1 -8.575 -12.069 19.105 2 HA3 GLY 1 1HA GLY 1 -9.839 -13.091 18.419 3 H LYS 2 H LYS 2 -8.154 -10.093 18.185 4 HA LYS 2 HA LYS 2 -8.366 -8.288 16.753 5 HB2 LYS 2 2HB LYS 2 -8.830 -10.659 14.985 6 HB3 LYS 2 1HB LYS 2 -8.623 -9.022 14.358 7 HG2 LYS 2 2HG LYS 2 -6.444 -8.907 15.652 8 HG3 LYS 2 1HG LYS 2 -6.639 -10.627 15.993 9 HD2 LYS 2 2HD LYS 2 -6.538 -9.391 13.231 10 HD3 LYS 2 1HD LYS 2 -5.206 -10.240 14.012 11 HE2 LYS 2 2HE LYS 2 -6.905 -12.196 14.274 12 HE3 LYS 2 1HE LYS 2 -7.822 -11.347 13.029 13 HZ1 LYS 2 3HZ LYS 2 -5.647 -13.030 12.665 14 HZ2 LYS 2 1HZ LYS 2 -5.099 -11.469 12.295 15 HZ3 LYS 2 2HZ LYS 2 -6.450 -12.108 11.485 16 H LYS 3 H LYS 3 -10.483 -9.718 14.561 17 HA LYS 3 HA LYS 3 -12.939 -8.706 15.755 18 HB2 LYS 3 2HB LYS 3 -13.394 -7.292 13.700 19 HB3 LYS 3 1HB LYS 3 -12.174 -6.657 14.805 20 HG2 LYS 3 2HG LYS 3 -10.396 -7.648 13.386 21 HG3 LYS 3 1HG LYS 3 -11.630 -8.223 12.265 22 HD2 LYS 3 2HD LYS 3 -12.351 -5.914 11.851 23 HD3 LYS 3 1HD LYS 3 -11.152 -5.320 12.999 24 HE2 LYS 3 2HE LYS 3 -9.351 -6.288 11.606 25 HE3 LYS 3 1HE LYS 3 -10.555 -6.849 10.446 26 HZ1 LYS 3 3HZ LYS 3 -9.687 -4.108 11.046 27 HZ2 LYS 3 1HZ LYS 3 -11.269 -4.364 10.491 28 HZ3 LYS 3 2HZ LYS 3 -9.949 -4.853 9.542 29 H VAL 4 H VAL 4 -11.364 -10.998 14.047 30 HA VAL 4 HA VAL 4 -13.852 -12.077 12.971 31 HB VAL 4 HB VAL 4 -12.554 -12.686 10.837 32 HG11 VAL 4 1HG1 VAL 4 -14.373 -10.974 10.987 33 HG12 VAL 4 2HG1 VAL 4 -13.159 -10.585 9.772 34 HG13 VAL 4 3HG1 VAL 4 -13.146 -9.754 11.326 35 HG21 VAL 4 3HG2 VAL 4 -10.846 -10.380 11.830 36 HG22 VAL 4 1HG2 VAL 4 -10.709 -11.165 10.259 37 HG23 VAL 4 2HG2 VAL 4 -10.319 -12.058 11.728 38 H GLU 5 H GLU 5 -11.674 -12.567 15.092 39 HA GLU 5 HA GLU 5 -10.270 -14.327 15.772 40 HB2 GLU 5 2HB GLU 5 -11.810 -16.446 15.907 41 HB3 GLU 5 1HB GLU 5 -12.235 -15.010 16.835 42 HG2 GLU 5 2HG GLU 5 -13.802 -14.304 15.095 43 HG3 GLU 5 1HG GLU 5 -13.328 -15.671 14.085 44 H PHE 6 H PHE 6 -8.671 -14.593 14.196 45 HA PHE 6 HA PHE 6 -9.136 -16.812 12.298 46 HB2 PHE 6 2HB PHE 6 -9.154 -14.908 10.895 47 HB3 PHE 6 1HB PHE 6 -7.848 -14.129 11.788 48 HD1 PHE 6 HD1 PHE 6 -8.643 -17.089 9.649 49 HD2 PHE 6 HD2 PHE 6 -5.590 -14.500 11.199 50 HE1 PHE 6 HE1 PHE 6 -6.979 -18.163 8.171 51 HE2 PHE 6 HE2 PHE 6 -3.933 -15.568 9.723 52 HZ PHE 6 HZ PHE 6 -4.617 -17.404 8.192 53 H ASN 7 H ASN 7 -7.677 -18.377 12.416 54 HA ASN 7 HA ASN 7 -5.790 -19.554 12.978 55 HB2 ASN 7 2HB ASN 7 -4.747 -17.574 11.701 56 HB3 ASN 7 1HB ASN 7 -4.354 -16.916 13.289 57 HD21 ASN 7 1HD2 ASN 7 -2.415 -17.880 11.274 58 HD22 ASN 7 2HD2 ASN 7 -1.569 -19.158 12.004 59 H ASP 8 H ASP 8 -5.841 -20.522 14.893 60 HA ASP 8 HA ASP 8 -5.450 -18.881 17.345 61 HB2 ASP 8 2HB ASP 8 -7.298 -21.222 16.873 62 HB3 ASP 8 1HB ASP 8 -6.851 -20.655 18.481 63 H LYS 9 H LYS 9 -4.964 -20.558 19.225 64 HA LYS 9 HA LYS 9 -2.384 -21.413 18.892 65 HB2 LYS 9 2HB LYS 9 -3.034 -23.038 20.884 66 HB3 LYS 9 1HB LYS 9 -3.007 -21.294 21.121 67 HG2 LYS 9 2HG LYS 9 -5.357 -21.109 20.918 68 HG3 LYS 9 1HG LYS 9 -5.510 -22.722 20.222 69 HD2 LYS 9 2HD LYS 9 -4.305 -22.465 22.974 70 HD3 LYS 9 1HD LYS 9 -6.050 -22.294 22.803 71 HE2 LYS 9 2HE LYS 9 -4.420 -24.653 21.809 72 HE3 LYS 9 1HE LYS 9 -5.429 -24.642 23.255 73 HZ1 LYS 9 3HZ LYS 9 -7.088 -23.716 21.320 74 HZ2 LYS 9 1HZ LYS 9 -7.047 -25.311 21.899 75 HZ3 LYS 9 2HZ LYS 9 -6.182 -24.895 20.496 76 HA PRO 10 HA PRO 10 -2.588 -25.171 16.578 77 HB2 PRO 10 2HB PRO 10 -0.459 -26.561 17.651 78 HB3 PRO 10 1HB PRO 10 -0.280 -25.190 16.541 79 HG2 PRO 10 2HG PRO 10 -0.052 -25.249 19.518 80 HG3 PRO 10 1HG PRO 10 0.939 -24.386 18.323 81 HD2 PRO 10 2HD PRO 10 -1.003 -23.147 19.767 82 HD3 PRO 10 1HD PRO 10 -0.576 -22.651 18.114 83 H LYS 11 H LYS 11 -2.022 -27.739 17.257 84 HA LYS 11 HA LYS 11 -2.738 -29.604 18.389 85 HB2 LYS 11 2HB LYS 11 -2.288 -28.019 20.452 86 HB3 LYS 11 1HB LYS 11 -4.045 -27.918 20.525 87 HG2 LYS 11 2HG LYS 11 -4.227 -30.338 20.682 88 HG3 LYS 11 1HG LYS 11 -2.479 -30.509 20.510 89 HD2 LYS 11 2HD LYS 11 -2.135 -29.238 22.582 90 HD3 LYS 11 1HD LYS 11 -3.880 -29.052 22.762 91 HE2 LYS 11 2HE LYS 11 -4.148 -31.487 22.902 92 HE3 LYS 11 1HE LYS 11 -2.412 -31.703 22.680 93 HZ1 LYS 11 3HZ LYS 11 -3.606 -31.508 25.062 94 HZ2 LYS 11 1HZ LYS 11 -3.167 -29.892 24.805 95 HZ3 LYS 11 2HZ LYS 11 -1.981 -31.104 24.780 96 H VAL 12 H VAL 12 -5.154 -27.036 18.981 97 HA VAL 12 HA VAL 12 -7.373 -28.750 18.437 98 HB VAL 12 HB VAL 12 -7.567 -26.772 19.890 99 HG11 VAL 12 1HG1 VAL 12 -5.996 -25.356 18.532 100 HG12 VAL 12 2HG1 VAL 12 -7.497 -24.535 18.957 101 HG13 VAL 12 3HG1 VAL 12 -7.271 -25.173 17.331 102 HG21 VAL 12 3HG2 VAL 12 -9.709 -26.062 19.088 103 HG22 VAL 12 1HG2 VAL 12 -9.516 -27.722 18.531 104 HG23 VAL 12 2HG2 VAL 12 -9.265 -26.386 17.416 105 H ARG 13 H ARG 13 -5.355 -26.657 16.519 106 HA ARG 13 HA ARG 13 -6.759 -27.561 14.085 107 HB2 ARG 13 2HB ARG 13 -6.192 -24.704 14.864 108 HB3 ARG 13 1HB ARG 13 -6.400 -25.184 13.179 109 HG2 ARG 13 2HG ARG 13 -8.618 -26.078 13.673 110 HG3 ARG 13 1HG ARG 13 -8.416 -25.703 15.378 111 HD2 ARG 13 2HD ARG 13 -8.232 -23.311 14.845 112 HD3 ARG 13 1HD ARG 13 -8.408 -23.677 13.131 113 HE ARG 13 HE ARG 13 -10.621 -24.776 14.429 114 HH11 ARG 13 1HH2 ARG 13 -9.157 -21.689 13.891 115 HH12 ARG 13 2HH2 ARG 13 -10.653 -20.816 13.935 116 HH21 ARG 13 1HH1 ARG 13 -12.588 -23.640 14.488 117 HH22 ARG 13 2HH1 ARG 13 -12.595 -21.922 14.273 118 H LYS 14 H LYS 14 -5.477 -27.479 12.178 119 HA LYS 14 HA LYS 14 -2.874 -28.409 12.453 120 HB2 LYS 14 2HB LYS 14 -4.238 -27.033 10.132 121 HB3 LYS 14 1HB LYS 14 -2.634 -27.759 10.026 122 HG2 LYS 14 2HG LYS 14 -3.504 -29.940 10.597 123 HG3 LYS 14 1HG LYS 14 -5.090 -29.268 10.963 124 HD2 LYS 14 2HD LYS 14 -5.269 -30.211 8.769 125 HD3 LYS 14 1HD LYS 14 -5.176 -28.466 8.542 126 HE2 LYS 14 2HE LYS 14 -2.884 -28.573 7.884 127 HE3 LYS 14 1HE LYS 14 -2.722 -30.235 8.445 128 HZ1 LYS 14 3HZ LYS 14 -4.418 -29.310 6.196 129 HZ2 LYS 14 1HZ LYS 14 -4.298 -30.910 6.741 130 HZ3 LYS 14 2HZ LYS 14 -2.945 -30.144 6.059 131 H ILE 15 H ILE 15 -0.937 -27.489 12.739 132 HA ILE 15 HA ILE 15 -0.547 -25.024 13.742 133 HB ILE 15 HB ILE 15 1.859 -25.265 12.614 134 HG12 ILE 15 2HG1 ILE 15 0.781 -28.080 12.373 135 HG13 ILE 15 1HG1 ILE 15 0.840 -26.981 10.995 136 HG21 ILE 15 1HG2 ILE 15 0.692 -27.196 14.635 137 HG22 ILE 15 2HG2 ILE 15 1.399 -25.617 14.980 138 HG23 ILE 15 3HG2 ILE 15 2.416 -26.927 14.376 139 HD11 ILE 15 3HD1 ILE 15 2.863 -28.460 11.182 140 HD12 ILE 15 1HD1 ILE 15 3.240 -27.666 12.711 141 HD13 ILE 15 2HD1 ILE 15 3.241 -26.735 11.213 142 HA PRO 16 HA PRO 16 -1.073 -21.797 10.790 143 HB2 PRO 16 2HB PRO 16 1.817 -21.111 11.254 144 HB3 PRO 16 1HB PRO 16 0.392 -20.055 11.297 145 HG2 PRO 16 2HG PRO 16 1.588 -20.940 13.541 146 HG3 PRO 16 1HG PRO 16 -0.159 -20.658 13.442 147 HD2 PRO 16 2HD PRO 16 1.306 -23.226 13.586 148 HD3 PRO 16 1HD PRO 16 -0.384 -22.849 13.992 149 H SER 17 H SER 17 -1.157 -22.135 8.644 150 HA SER 17 HA SER 17 1.153 -23.418 7.291 151 HB2 SER 17 2HB SER 17 -0.429 -24.146 5.609 152 HB3 SER 17 1HB SER 17 -1.011 -24.631 7.197 153 HG SER 17 HG SER 17 -2.707 -23.687 6.126 154 H THR 18 H THR 18 -0.339 -20.455 7.736 155 HA THR 18 HA THR 18 0.117 -19.442 5.039 156 HB THR 18 HB THR 18 -1.723 -18.749 6.836 157 HG1 THR 18 HG1 THR 18 -1.052 -16.467 5.741 158 HG21 THR 18 3HG2 THR 18 -1.146 -16.928 8.220 159 HG22 THR 18 1HG2 THR 18 0.344 -16.618 7.330 160 HG23 THR 18 2HG2 THR 18 0.225 -18.020 8.397 161 H ARG 19 H ARG 19 1.185 -17.057 5.213 162 HA ARG 19 HA ARG 19 3.790 -17.381 6.633 163 HB2 ARG 19 2HB ARG 19 4.012 -17.825 4.205 164 HB3 ARG 19 1HB ARG 19 3.366 -16.215 3.873 165 HG2 ARG 19 2HG ARG 19 5.217 -15.175 5.068 166 HG3 ARG 19 1HG ARG 19 5.834 -16.757 5.549 167 HD2 ARG 19 2HD ARG 19 6.083 -17.328 3.117 168 HD3 ARG 19 1HD ARG 19 5.637 -15.669 2.730 169 HE ARG 19 HE ARG 19 7.731 -15.471 4.528 170 HH11 ARG 19 1HH2 ARG 19 7.136 -16.921 1.444 171 HH12 ARG 19 2HH2 ARG 19 8.771 -16.760 0.898 172 HH21 ARG 19 1HH1 ARG 19 9.879 -15.257 3.821 173 HH22 ARG 19 2HH1 ARG 19 10.324 -15.819 2.244 174 H LYS 20 H LYS 20 4.784 -15.489 7.337 175 HA LYS 20 HA LYS 20 3.313 -12.974 7.109 176 HB2 LYS 20 2HB LYS 20 3.333 -12.615 9.524 177 HB3 LYS 20 1HB LYS 20 2.365 -14.025 9.095 178 HG2 LYS 20 2HG LYS 20 4.484 -15.411 9.497 179 HG3 LYS 20 1HG LYS 20 5.155 -13.967 10.255 180 HD2 LYS 20 2HD LYS 20 2.548 -15.269 11.079 181 HD3 LYS 20 1HD LYS 20 4.089 -15.511 11.901 182 HE2 LYS 20 2HE LYS 20 4.190 -12.953 12.124 183 HE3 LYS 20 1HE LYS 20 2.487 -12.961 11.658 184 HZ1 LYS 20 3HZ LYS 20 3.653 -13.590 14.161 185 HZ2 LYS 20 1HZ LYS 20 2.755 -14.910 13.587 186 HZ3 LYS 20 2HZ LYS 20 2.015 -13.389 13.762 187 H ILE 21 H ILE 21 4.665 -11.343 6.744 188 HA ILE 21 HA ILE 21 7.372 -11.440 7.923 189 HB ILE 21 HB ILE 21 8.394 -10.836 5.796 190 HG12 ILE 21 2HG1 ILE 21 5.675 -11.356 4.563 191 HG13 ILE 21 1HG1 ILE 21 6.307 -9.739 4.843 192 HG21 ILE 21 1HG2 ILE 21 8.244 -12.989 4.721 193 HG22 ILE 21 2HG2 ILE 21 6.676 -13.296 5.469 194 HG23 ILE 21 3HG2 ILE 21 8.132 -13.232 6.466 195 HD11 ILE 21 3HD1 ILE 21 8.195 -10.137 3.399 196 HD12 ILE 21 1HD1 ILE 21 6.712 -10.543 2.527 197 HD13 ILE 21 2HD1 ILE 21 7.722 -11.830 3.189 198 H LYS 22 H LYS 22 8.313 -9.416 8.252 199 HA LYS 22 HA LYS 22 6.449 -7.112 7.934 200 HB2 LYS 22 2HB LYS 22 8.643 -7.528 9.976 201 HB3 LYS 22 1HB LYS 22 7.547 -6.147 9.877 202 HG2 LYS 22 2HG LYS 22 5.618 -7.684 10.190 203 HG3 LYS 22 1HG LYS 22 6.741 -9.028 10.365 204 HD2 LYS 22 2HD LYS 22 7.770 -7.940 12.316 205 HD3 LYS 22 1HD LYS 22 6.665 -6.575 12.145 206 HE2 LYS 22 2HE LYS 22 5.796 -8.082 13.849 207 HE3 LYS 22 1HE LYS 22 4.745 -8.149 12.434 208 HZ1 LYS 22 3HZ LYS 22 5.321 -10.355 13.351 209 HZ2 LYS 22 1HZ LYS 22 6.947 -10.063 12.966 210 HZ3 LYS 22 2HZ LYS 22 5.789 -10.159 11.729 211 H ILE 23 H ILE 23 7.366 -6.918 5.736 212 HA ILE 23 HA ILE 23 10.064 -5.692 5.723 213 HB ILE 23 HB ILE 23 8.504 -7.205 3.654 214 HG12 ILE 23 2HG1 ILE 23 10.678 -8.361 3.417 215 HG13 ILE 23 1HG1 ILE 23 11.392 -7.267 4.598 216 HG21 ILE 23 1HG2 ILE 23 10.442 -6.404 2.089 217 HG22 ILE 23 2HG2 ILE 23 10.588 -5.067 3.224 218 HG23 ILE 23 3HG2 ILE 23 9.074 -5.325 2.359 219 HD11 ILE 23 3HD1 ILE 23 10.337 -8.271 6.373 220 HD12 ILE 23 1HD1 ILE 23 10.381 -9.659 5.290 221 HD13 ILE 23 2HD1 ILE 23 8.913 -8.701 5.430 222 H THR 24 H THR 24 10.203 -3.583 5.432 223 HA THR 24 HA THR 24 7.935 -2.160 4.129 224 HB THR 24 HB THR 24 9.647 -1.217 6.441 225 HG1 THR 24 HG1 THR 24 7.380 -1.161 7.316 226 HG21 THR 24 3HG2 THR 24 9.132 0.672 5.074 227 HG22 THR 24 1HG2 THR 24 7.946 0.684 6.380 228 HG23 THR 24 2HG2 THR 24 7.489 0.097 4.781 229 H PHE 25 H PHE 25 8.467 -1.059 2.380 230 HA PHE 25 HA PHE 25 11.275 -0.143 2.045 231 HB2 PHE 25 2HB PHE 25 10.934 -2.151 0.684 232 HB3 PHE 25 1HB PHE 25 9.520 -1.411 -0.069 233 HD1 PHE 25 HD1 PHE 25 13.166 -0.806 0.553 234 HD2 PHE 25 HD2 PHE 25 9.786 -0.096 -2.002 235 HE1 PHE 25 HE1 PHE 25 14.642 0.330 -1.085 236 HE2 PHE 25 HE2 PHE 25 11.261 1.037 -3.639 237 HZ PHE 25 HZ PHE 25 13.689 1.249 -3.182 238 H ALA 26 H ALA 26 11.502 1.909 1.391 239 HA ALA 26 HA ALA 26 9.283 3.652 1.398 240 HB1 ALA 26 3HB ALA 26 12.180 3.937 0.653 241 HB2 ALA 26 1HB ALA 26 11.305 4.670 1.997 242 HB3 ALA 26 2HB ALA 26 11.062 5.270 0.356 243 H LEU 27 H LEU 27 7.737 3.525 -0.123 244 HA LEU 27 HA LEU 27 8.280 2.767 -2.841 245 HB2 LEU 27 2HB LEU 27 5.869 3.601 -1.272 246 HB3 LEU 27 1HB LEU 27 5.782 3.725 -3.027 247 HG LEU 27 HG LEU 27 6.423 1.364 -3.237 248 HD11 LEU 27 1HD1 LEU 27 7.815 1.018 -1.336 249 HD12 LEU 27 2HD1 LEU 27 6.394 0.005 -1.071 250 HD13 LEU 27 3HD1 LEU 27 6.548 1.545 -0.228 251 HD21 LEU 27 3HD2 LEU 27 4.366 0.387 -2.302 252 HD22 LEU 27 1HD2 LEU 27 4.034 1.963 -3.021 253 HD23 LEU 27 2HD2 LEU 27 4.158 1.803 -1.269 254 H ASP 28 H ASP 28 7.530 5.810 -1.193 255 HA ASP 28 HA ASP 28 8.605 7.269 -3.521 256 HB2 ASP 28 2HB ASP 28 6.022 7.818 -2.058 257 HB3 ASP 28 1HB ASP 28 6.824 9.004 -3.086 258 H ALA 29 H ALA 29 7.084 8.613 -0.654 259 HA ALA 29 HA ALA 29 9.524 9.047 0.788 260 HB1 ALA 29 3HB ALA 29 9.526 11.530 0.540 261 HB2 ALA 29 1HB ALA 29 8.313 11.372 -0.729 262 HB3 ALA 29 2HB ALA 29 9.924 10.689 -0.959 263 H THR 30 H THR 30 6.955 11.433 0.503 264 HA THR 30 HA THR 30 6.388 11.503 3.253 265 HB THR 30 HB THR 30 5.796 13.284 1.587 266 HG1 THR 30 HG1 THR 30 3.383 12.609 2.760 267 HG21 THR 30 3HG2 THR 30 3.369 11.597 0.969 268 HG22 THR 30 1HG2 THR 30 4.819 11.523 -0.034 269 HG23 THR 30 2HG2 THR 30 3.944 13.043 0.136 270 H PHE 31 H PHE 31 4.736 9.812 0.588 271 HA PHE 31 HA PHE 31 2.654 8.694 2.119 272 HB2 PHE 31 2HB PHE 31 2.483 8.700 -0.279 273 HB3 PHE 31 1HB PHE 31 3.975 7.775 -0.442 274 HD1 PHE 31 HD1 PHE 31 0.676 7.552 1.347 275 HD2 PHE 31 HD2 PHE 31 3.776 5.472 -0.785 276 HE1 PHE 31 HE1 PHE 31 -0.620 5.441 1.519 277 HE2 PHE 31 HE2 PHE 31 2.480 3.365 -0.613 278 HZ PHE 31 HZ PHE 31 0.284 3.349 0.538 279 H ASP 32 H ASP 32 5.964 7.653 1.493 280 HA ASP 32 HA ASP 32 5.751 5.011 2.455 281 HB2 ASP 32 2HB ASP 32 8.100 6.915 2.399 282 HB3 ASP 32 1HB ASP 32 8.222 5.213 2.808 283 H SER 33 H SER 33 6.593 8.067 4.084 284 HA SER 33 HA SER 33 7.122 6.956 6.636 285 HB2 SER 33 2HB SER 33 6.733 9.251 7.472 286 HB3 SER 33 1HB SER 33 7.767 9.240 6.049 287 HG SER 33 HG SER 33 6.329 10.621 5.349 288 H VAL 34 H VAL 34 4.141 8.334 5.242 289 HA VAL 34 HA VAL 34 2.531 7.913 7.551 290 HB VAL 34 HB VAL 34 1.795 8.187 4.628 291 HG11 VAL 34 1HG1 VAL 34 0.102 8.088 7.136 292 HG12 VAL 34 2HG1 VAL 34 -0.049 7.086 5.694 293 HG13 VAL 34 3HG1 VAL 34 -0.474 8.795 5.626 294 HG21 VAL 34 3HG2 VAL 34 1.552 10.169 6.908 295 HG22 VAL 34 1HG2 VAL 34 1.346 10.481 5.184 296 HG23 VAL 34 2HG2 VAL 34 2.946 10.111 5.826 297 H LEU 35 H LEU 35 3.081 5.977 4.625 298 HA LEU 35 HA LEU 35 1.247 3.953 5.186 299 HB2 LEU 35 2HB LEU 35 2.318 4.230 2.977 300 HB3 LEU 35 1HB LEU 35 3.868 3.765 3.674 301 HG LEU 35 HG LEU 35 2.849 1.555 4.331 302 HD11 LEU 35 1HD1 LEU 35 0.698 1.043 2.972 303 HD12 LEU 35 2HD1 LEU 35 0.491 2.790 2.902 304 HD13 LEU 35 3HD1 LEU 35 0.527 1.963 4.454 305 HD21 LEU 35 3HD2 LEU 35 2.525 2.073 1.377 306 HD22 LEU 35 1HD2 LEU 35 3.053 0.592 2.174 307 HD23 LEU 35 2HD2 LEU 35 4.107 2.005 2.153 308 H SER 36 H SER 36 4.692 4.260 5.982 309 HA SER 36 HA SER 36 5.035 1.749 7.187 310 HB2 SER 36 2HB SER 36 6.978 2.774 8.311 311 HB3 SER 36 1HB SER 36 6.916 3.213 6.607 312 HG SER 36 HG SER 36 5.957 4.764 8.789 313 H LYS 37 H LYS 37 3.976 4.858 8.519 314 HA LYS 37 HA LYS 37 3.820 4.008 11.230 315 HB2 LYS 37 2HB LYS 37 3.845 6.393 10.475 316 HB3 LYS 37 1HB LYS 37 2.199 6.175 9.879 317 HG2 LYS 37 2HG LYS 37 1.425 5.595 12.130 318 HG3 LYS 37 1HG LYS 37 3.073 5.724 12.747 319 HD2 LYS 37 2HD LYS 37 3.133 8.105 12.103 320 HD3 LYS 37 1HD LYS 37 1.480 7.983 11.500 321 HE2 LYS 37 2HE LYS 37 0.697 7.363 13.753 322 HE3 LYS 37 1HE LYS 37 2.349 7.472 14.362 323 HZ1 LYS 37 3HZ LYS 37 1.586 9.548 14.850 324 HZ2 LYS 37 1HZ LYS 37 0.524 9.607 13.529 325 HZ3 LYS 37 2HZ LYS 37 2.191 9.840 13.289 326 H ALA 38 H ALA 38 1.628 3.799 8.498 327 HA ALA 38 HA ALA 38 -0.541 2.784 10.205 328 HB1 ALA 38 3HB ALA 38 -1.052 4.439 8.427 329 HB2 ALA 38 1HB ALA 38 -1.910 2.917 8.206 330 HB3 ALA 38 2HB ALA 38 -0.495 3.283 7.218 331 H CYS 39 H CYS 39 0.487 1.750 6.972 332 HA CYS 39 HA CYS 39 0.267 -1.065 7.873 333 HB2 CYS 39 2HB CYS 39 -1.070 -0.029 5.875 334 HB3 CYS 39 1HB CYS 39 0.437 -0.265 4.992 335 HG CYS 39 HG CYS 39 -0.233 -2.797 6.464 336 H SER 40 H SER 40 2.288 -1.459 8.707 337 HA SER 40 HA SER 40 4.592 -1.129 6.851 338 HB2 SER 40 2HB SER 40 5.883 -1.529 9.091 339 HB3 SER 40 1HB SER 40 5.195 0.047 8.762 340 HG SER 40 HG SER 40 3.641 -1.898 10.050 341 H GLU 41 H GLU 41 2.745 -3.358 8.828 342 HA GLU 41 HA GLU 41 4.599 -5.565 8.219 343 HB2 GLU 41 2HB GLU 41 2.087 -5.501 9.915 344 HB3 GLU 41 1HB GLU 41 3.196 -6.863 9.754 345 HG2 GLU 41 2HG GLU 41 5.027 -5.497 10.671 346 HG3 GLU 41 1HG GLU 41 3.938 -4.123 10.813 347 H PHE 42 H PHE 42 4.091 -7.274 6.907 348 HA PHE 42 HA PHE 42 1.411 -7.298 5.636 349 HB2 PHE 42 2HB PHE 42 4.077 -7.349 4.204 350 HB3 PHE 42 1HB PHE 42 2.538 -7.764 3.451 351 HD1 PHE 42 HD2 PHE 42 0.795 -6.064 3.105 352 HD2 PHE 42 HD1 PHE 42 4.604 -5.053 4.815 353 HE1 PHE 42 HE2 PHE 42 0.334 -3.659 2.712 354 HE2 PHE 42 HE1 PHE 42 4.142 -2.650 4.423 355 HZ PHE 42 HZ PHE 42 2.007 -1.951 3.370 356 H GLU 43 H GLU 43 0.567 -9.276 5.457 357 HA GLU 43 HA GLU 43 2.352 -11.616 5.677 358 HB2 GLU 43 2HB GLU 43 0.738 -12.689 7.197 359 HB3 GLU 43 1HB GLU 43 1.380 -11.205 7.903 360 HG2 GLU 43 2HG GLU 43 -0.625 -9.978 7.113 361 HG3 GLU 43 1HG GLU 43 -1.276 -11.479 6.459 362 H VAL 44 H VAL 44 1.774 -13.405 4.518 363 HA VAL 44 HA VAL 44 -0.811 -13.404 3.123 364 HB VAL 44 HB VAL 44 0.592 -14.038 0.981 365 HG11 VAL 44 1HG1 VAL 44 0.350 -11.209 2.028 366 HG12 VAL 44 2HG1 VAL 44 -0.859 -12.096 1.101 367 HG13 VAL 44 3HG1 VAL 44 0.669 -11.639 0.347 368 HG21 VAL 44 3HG2 VAL 44 2.759 -14.016 2.275 369 HG22 VAL 44 1HG2 VAL 44 2.552 -12.278 2.486 370 HG23 VAL 44 2HG2 VAL 44 2.756 -12.949 0.870 371 H ASP 45 H ASP 45 1.635 -15.325 1.761 372 HA ASP 45 HA ASP 45 1.447 -17.575 3.507 373 HB2 ASP 45 2HB ASP 45 0.175 -19.031 1.954 374 HB3 ASP 45 1HB ASP 45 -0.800 -17.716 2.606 375 H LYS 46 H LYS 46 2.559 -19.471 2.627 376 HA LYS 46 HA LYS 46 4.945 -18.783 1.273 377 HB2 LYS 46 2HB LYS 46 5.365 -21.207 1.219 378 HB3 LYS 46 1HB LYS 46 4.813 -20.684 2.810 379 HG2 LYS 46 2HG LYS 46 2.523 -21.402 2.272 380 HG3 LYS 46 1HG LYS 46 3.044 -21.913 0.668 381 HD2 LYS 46 2HD LYS 46 4.508 -23.021 3.055 382 HD3 LYS 46 1HD LYS 46 2.910 -23.661 2.677 383 HE2 LYS 46 2HE LYS 46 5.066 -23.427 0.571 384 HE3 LYS 46 1HE LYS 46 4.902 -24.857 1.590 385 HZ1 LYS 46 3HZ LYS 46 2.803 -25.314 0.734 386 HZ2 LYS 46 1HZ LYS 46 3.686 -24.835 -0.632 387 HZ3 LYS 46 2HZ LYS 46 2.602 -23.750 0.100 388 H ASP 47 H ASP 47 5.700 -19.776 -0.762 389 HA ASP 47 HA ASP 47 5.543 -20.084 -3.032 390 HB2 ASP 47 2HB ASP 47 4.088 -22.018 -2.192 391 HB3 ASP 47 1HB ASP 47 2.704 -20.996 -2.576 392 H VAL 48 H VAL 48 4.917 -17.524 -1.924 393 HA VAL 48 HA VAL 48 2.841 -16.538 -3.820 394 HB VAL 48 HB VAL 48 2.389 -16.177 -1.382 395 HG11 VAL 48 1HG1 VAL 48 3.778 -14.833 -0.050 396 HG12 VAL 48 2HG1 VAL 48 4.626 -14.152 -1.437 397 HG13 VAL 48 3HG1 VAL 48 4.936 -15.816 -0.941 398 HG21 VAL 48 3HG2 VAL 48 2.907 -13.731 -3.103 399 HG22 VAL 48 1HG2 VAL 48 1.921 -13.733 -1.645 400 HG23 VAL 48 2HG2 VAL 48 1.421 -14.674 -3.046 401 H THR 49 H THR 49 3.564 -15.416 -5.486 402 HA THR 49 HA THR 49 6.340 -14.575 -5.614 403 HB THR 49 HB THR 49 5.839 -14.001 -7.923 404 HG1 THR 49 HG1 THR 49 3.873 -13.595 -8.522 405 HG21 THR 49 3HG2 THR 49 5.155 -16.207 -8.716 406 HG22 THR 49 1HG2 THR 49 4.473 -16.589 -7.136 407 HG23 THR 49 2HG2 THR 49 6.215 -16.385 -7.319 408 H LEU 50 H LEU 50 6.775 -12.351 -6.557 409 HA LEU 50 HA LEU 50 5.962 -10.375 -4.729 410 HB2 LEU 50 2HB LEU 50 6.888 -8.811 -6.657 411 HB3 LEU 50 1HB LEU 50 7.979 -9.851 -5.745 412 HG LEU 50 HG LEU 50 6.693 -11.090 -8.162 413 HD11 LEU 50 1HD1 LEU 50 8.493 -10.088 -9.607 414 HD12 LEU 50 2HD1 LEU 50 8.812 -8.937 -8.308 415 HD13 LEU 50 3HD1 LEU 50 7.239 -8.953 -9.106 416 HD21 LEU 50 3HD2 LEU 50 8.445 -12.102 -6.502 417 HD22 LEU 50 1HD2 LEU 50 9.607 -11.091 -7.357 418 HD23 LEU 50 2HD2 LEU 50 8.705 -12.328 -8.230 419 H ASP 51 H ASP 51 4.838 -11.156 -8.006 420 HA ASP 51 HA ASP 51 3.196 -8.969 -8.495 421 HB2 ASP 51 2HB ASP 51 2.878 -11.883 -9.240 422 HB3 ASP 51 1HB ASP 51 1.820 -10.612 -9.853 423 H GLU 52 H GLU 52 2.343 -12.040 -6.880 424 HA GLU 52 HA GLU 52 -0.324 -11.323 -6.260 425 HB2 GLU 52 2HB GLU 52 1.569 -13.291 -4.961 426 HB3 GLU 52 1HB GLU 52 -0.139 -13.152 -4.544 427 HG2 GLU 52 2HG GLU 52 -0.759 -13.636 -6.873 428 HG3 GLU 52 1HG GLU 52 0.945 -13.742 -7.314 429 H LEU 53 H LEU 53 2.740 -10.886 -4.544 430 HA LEU 53 HA LEU 53 1.662 -9.981 -2.099 431 HB2 LEU 53 2HB LEU 53 4.024 -10.667 -2.373 432 HB3 LEU 53 1HB LEU 53 4.300 -9.261 -3.401 433 HG LEU 53 HG LEU 53 3.632 -7.785 -1.505 434 HD11 LEU 53 1HD1 LEU 53 3.227 -10.460 -0.188 435 HD12 LEU 53 2HD1 LEU 53 2.225 -9.011 -0.106 436 HD13 LEU 53 3HD1 LEU 53 3.730 -9.086 0.794 437 HD21 LEU 53 3HD2 LEU 53 5.810 -9.715 -0.707 438 HD22 LEU 53 1HD2 LEU 53 5.676 -8.012 -0.273 439 HD23 LEU 53 2HD2 LEU 53 6.017 -8.471 -1.941 440 H LEU 54 H LEU 54 2.809 -8.194 -4.941 441 HA LEU 54 HA LEU 54 2.348 -5.604 -4.043 442 HB2 LEU 54 2HB LEU 54 3.429 -6.320 -6.234 443 HB3 LEU 54 1HB LEU 54 1.805 -6.565 -6.858 444 HG LEU 54 HG LEU 54 1.329 -4.136 -6.075 445 HD11 LEU 54 1HD1 LEU 54 3.538 -2.773 -6.241 446 HD12 LEU 54 2HD1 LEU 54 4.344 -4.287 -5.864 447 HD13 LEU 54 3HD1 LEU 54 3.192 -3.594 -4.726 448 HD21 LEU 54 3HD2 LEU 54 3.134 -4.867 -8.386 449 HD22 LEU 54 1HD2 LEU 54 2.510 -3.233 -8.165 450 HD23 LEU 54 2HD2 LEU 54 1.393 -4.576 -8.411 451 H ASP 55 H ASP 55 0.105 -7.915 -5.534 452 HA ASP 55 HA ASP 55 -2.123 -6.169 -5.713 453 HB2 ASP 55 2HB ASP 55 -2.011 -8.348 -6.858 454 HB3 ASP 55 1HB ASP 55 -2.079 -9.167 -5.298 455 H VAL 56 H VAL 56 -1.147 -8.466 -3.168 456 HA VAL 56 HA VAL 56 -3.327 -7.920 -1.434 457 HB VAL 56 HB VAL 56 -0.567 -9.026 -0.882 458 HG11 VAL 56 1HG1 VAL 56 -1.733 -9.891 1.224 459 HG12 VAL 56 2HG1 VAL 56 -3.010 -8.722 0.882 460 HG13 VAL 56 3HG1 VAL 56 -1.366 -8.165 1.203 461 HG21 VAL 56 3HG2 VAL 56 -3.277 -10.378 -1.085 462 HG22 VAL 56 1HG2 VAL 56 -1.718 -11.173 -0.874 463 HG23 VAL 56 2HG2 VAL 56 -2.085 -10.342 -2.384 464 H VAL 57 H VAL 57 -0.046 -6.609 -1.644 465 HA VAL 57 HA VAL 57 -0.146 -4.977 0.644 466 HB VAL 57 HB VAL 57 1.445 -4.734 -1.916 467 HG11 VAL 57 1HG1 VAL 57 1.482 -3.119 0.648 468 HG12 VAL 57 2HG1 VAL 57 1.424 -2.527 -1.013 469 HG13 VAL 57 3HG1 VAL 57 2.908 -3.241 -0.385 470 HG21 VAL 57 3HG2 VAL 57 2.287 -5.583 0.866 471 HG22 VAL 57 1HG2 VAL 57 3.222 -5.702 -0.623 472 HG23 VAL 57 2HG2 VAL 57 1.795 -6.720 -0.390 473 H LEU 58 H LEU 58 -0.940 -4.321 -2.761 474 HA LEU 58 HA LEU 58 -1.544 -1.600 -2.454 475 HB2 LEU 58 2HB LEU 58 -1.250 -2.580 -4.663 476 HB3 LEU 58 1HB LEU 58 -2.635 -3.644 -4.411 477 HG LEU 58 HG LEU 58 -4.146 -1.710 -4.300 478 HD11 LEU 58 1HD1 LEU 58 -1.538 -0.196 -4.375 479 HD12 LEU 58 2HD1 LEU 58 -2.932 0.035 -3.316 480 HD13 LEU 58 3HD1 LEU 58 -3.011 0.552 -4.993 481 HD21 LEU 58 3HD2 LEU 58 -2.258 -1.576 -6.664 482 HD22 LEU 58 1HD2 LEU 58 -3.882 -0.891 -6.610 483 HD23 LEU 58 2HD2 LEU 58 -3.660 -2.637 -6.515 484 H ASP 59 H ASP 59 -3.594 -4.495 -2.246 485 HA ASP 59 HA ASP 59 -6.075 -3.271 -1.863 486 HB2 ASP 59 2HB ASP 59 -5.736 -5.714 -2.171 487 HB3 ASP 59 1HB ASP 59 -5.063 -5.803 -0.544 488 H ALA 60 H ALA 60 -3.551 -4.110 0.510 489 HA ALA 60 HA ALA 60 -4.951 -3.299 2.828 490 HB1 ALA 60 3HB ALA 60 -2.968 -4.596 3.110 491 HB2 ALA 60 1HB ALA 60 -2.607 -3.006 3.790 492 HB3 ALA 60 2HB ALA 60 -2.003 -3.444 2.189 493 H VAL 61 H VAL 61 -2.915 -1.517 0.549 494 HA VAL 61 HA VAL 61 -2.797 0.916 1.997 495 HB VAL 61 HB VAL 61 -2.629 0.392 -0.979 496 HG11 VAL 61 1HG1 VAL 61 -3.155 2.715 -0.701 497 HG12 VAL 61 2HG1 VAL 61 -1.409 2.629 -0.934 498 HG13 VAL 61 3HG1 VAL 61 -2.072 2.857 0.684 499 HG21 VAL 61 3HG2 VAL 61 -0.291 0.272 -0.668 500 HG22 VAL 61 1HG2 VAL 61 -0.929 -0.636 0.700 501 HG23 VAL 61 2HG2 VAL 61 -0.375 1.020 0.925 502 H GLU 62 H GLU 62 -5.068 -0.308 -0.428 503 HA GLU 62 HA GLU 62 -6.613 2.089 -0.597 504 HB2 GLU 62 2HB GLU 62 -7.375 -0.770 -1.255 505 HB3 GLU 62 1HB GLU 62 -8.269 0.672 -1.742 506 HG2 GLU 62 2HG GLU 62 -5.386 0.128 -2.462 507 HG3 GLU 62 1HG GLU 62 -6.748 -0.189 -3.528 508 H SER 63 H SER 63 -7.057 -0.979 1.161 509 HA SER 63 HA SER 63 -9.517 -0.318 2.361 510 HB2 SER 63 2HB SER 63 -9.265 -2.281 3.575 511 HB3 SER 63 1HB SER 63 -8.165 -2.578 2.225 512 HG SER 63 HG SER 63 -6.527 -2.437 3.551 513 H THR 64 H THR 64 -6.182 0.279 3.340 514 HA THR 64 HA THR 64 -6.857 1.285 5.937 515 HB THR 64 HB THR 64 -4.334 1.821 4.361 516 HG1 THR 64 HG1 THR 64 -5.173 -0.403 5.887 517 HG21 THR 64 3HG2 THR 64 -4.718 3.132 6.449 518 HG22 THR 64 1HG2 THR 64 -3.335 2.045 6.570 519 HG23 THR 64 2HG2 THR 64 -4.864 1.617 7.337 520 H LEU 65 H LEU 65 -5.325 3.016 3.216 521 HA LEU 65 HA LEU 65 -6.741 5.472 4.071 522 HB2 LEU 65 2HB LEU 65 -4.267 5.042 2.379 523 HB3 LEU 65 1HB LEU 65 -5.020 6.608 2.641 524 HG LEU 65 HG LEU 65 -4.168 4.818 4.927 525 HD11 LEU 65 1HD1 LEU 65 -2.116 6.156 5.077 526 HD12 LEU 65 2HD1 LEU 65 -2.596 7.081 3.653 527 HD13 LEU 65 3HD1 LEU 65 -2.203 5.367 3.502 528 HD21 LEU 65 3HD2 LEU 65 -5.612 6.460 5.787 529 HD22 LEU 65 1HD2 LEU 65 -5.087 7.684 4.637 530 HD23 LEU 65 2HD2 LEU 65 -4.049 7.231 5.981 531 H SER 66 H SER 66 -8.689 5.355 3.079 532 HA SER 66 HA SER 66 -8.962 4.567 0.315 533 HB2 SER 66 2HB SER 66 -10.698 4.889 2.531 534 HB3 SER 66 1HB SER 66 -11.282 5.995 1.293 535 HG SER 66 HG SER 66 -10.905 4.061 -0.141 536 HA PRO 67 HA PRO 67 -9.612 9.245 -0.275 537 HB2 PRO 67 2HB PRO 67 -9.095 10.950 1.796 538 HB3 PRO 67 1HB PRO 67 -10.658 10.134 1.590 539 HG2 PRO 67 2HG PRO 67 -8.455 9.555 3.495 540 HG3 PRO 67 1HG PRO 67 -10.201 9.315 3.681 541 HD2 PRO 67 2HD PRO 67 -8.303 7.332 3.045 542 HD3 PRO 67 1HD PRO 67 -10.066 7.164 2.919 543 H CYS 68 H CYS 68 -8.124 10.415 -1.396 544 HA CYS 68 HA CYS 68 -5.350 10.571 -0.347 545 HB2 CYS 68 2HB CYS 68 -5.965 10.071 -3.248 546 HB3 CYS 68 1HB CYS 68 -4.414 9.895 -2.418 547 HG CYS 68 HG CYS 68 -5.574 7.518 -2.724 548 H LYS 69 H LYS 69 -7.774 11.811 -2.620 549 HA LYS 69 HA LYS 69 -6.296 14.146 -3.325 550 HB2 LYS 69 2HB LYS 69 -9.222 13.457 -3.571 551 HB3 LYS 69 1HB LYS 69 -8.509 14.943 -4.198 552 HG2 LYS 69 2HG LYS 69 -6.946 13.611 -5.573 553 HG3 LYS 69 1HG LYS 69 -7.676 12.128 -4.959 554 HD2 LYS 69 2HD LYS 69 -9.852 12.788 -5.910 555 HD3 LYS 69 1HD LYS 69 -9.135 14.282 -6.515 556 HE2 LYS 69 2HE LYS 69 -7.581 12.989 -7.915 557 HE3 LYS 69 1HE LYS 69 -8.268 11.486 -7.298 558 HZ1 LYS 69 3HZ LYS 69 -9.738 11.619 -8.926 559 HZ2 LYS 69 1HZ LYS 69 -9.228 13.176 -9.363 560 HZ3 LYS 69 2HZ LYS 69 -10.409 12.978 -8.156 561 H GLU 70 H GLU 70 -7.912 13.240 -0.514 562 HA GLU 70 HA GLU 70 -8.969 15.776 0.274 563 HB2 GLU 70 2HB GLU 70 -8.275 13.282 1.834 564 HB3 GLU 70 1HB GLU 70 -9.028 14.702 2.559 565 HG2 GLU 70 2HG GLU 70 -10.912 14.517 0.985 566 HG3 GLU 70 1HG GLU 70 -10.156 13.110 0.237 567 H HIS 71 H HIS 71 -5.920 14.075 0.826 568 HA HIS 71 HA HIS 71 -4.889 16.410 2.326 569 HB2 HIS 71 2HB HIS 71 -3.815 13.597 2.005 570 HB3 HIS 71 1HB HIS 71 -3.013 14.886 2.902 571 HD1 HIS 71 HD1 HIS 71 -4.744 12.076 3.768 572 HD2 HIS 71 HD2 HIS 71 -5.484 16.086 4.640 573 HE1 HIS 71 HE1 HIS 71 -6.217 12.101 5.829 574 H ASP 72 H ASP 72 -4.143 17.899 0.931 575 HA ASP 72 HA ASP 72 -3.072 17.359 -1.630 576 HB2 ASP 72 2HB ASP 72 -3.020 19.731 0.234 577 HB3 ASP 72 1HB ASP 72 -2.060 19.756 -1.245 578 H VAL 73 H VAL 73 -1.573 17.739 1.544 579 HA VAL 73 HA VAL 73 1.111 17.840 0.704 580 HB VAL 73 HB VAL 73 -0.119 16.768 3.255 581 HG11 VAL 73 1HG1 VAL 73 2.752 17.261 2.445 582 HG12 VAL 73 2HG1 VAL 73 2.051 15.789 3.117 583 HG13 VAL 73 3HG1 VAL 73 2.247 17.217 4.135 584 HG21 VAL 73 3HG2 VAL 73 0.627 18.959 4.149 585 HG22 VAL 73 1HG2 VAL 73 -0.522 19.159 2.825 586 HG23 VAL 73 2HG2 VAL 73 1.203 19.407 2.543 587 H ILE 74 H ILE 74 -0.936 15.076 1.619 588 HA ILE 74 HA ILE 74 1.165 13.196 0.805 589 HB ILE 74 HB ILE 74 -1.577 12.759 2.011 590 HG12 ILE 74 2HG1 ILE 74 1.170 12.316 3.214 591 HG13 ILE 74 1HG1 ILE 74 0.267 13.819 3.423 592 HG21 ILE 74 1HG2 ILE 74 -1.091 10.819 0.743 593 HG22 ILE 74 2HG2 ILE 74 -0.570 10.419 2.375 594 HG23 ILE 74 3HG2 ILE 74 0.622 10.868 1.152 595 HD11 ILE 74 3HD1 ILE 74 -0.128 12.287 5.318 596 HD12 ILE 74 1HD1 ILE 74 -0.714 11.056 4.201 597 HD13 ILE 74 2HD1 ILE 74 -1.612 12.558 4.408 598 H GLY 75 H GLY 75 -1.519 14.782 -0.532 599 HA2 GLY 75 2HA GLY 75 -2.667 12.923 -2.251 600 HA3 GLY 75 1HA GLY 75 -2.524 14.643 -2.606 601 H THR 76 H THR 76 -2.206 14.008 -4.836 602 HA THR 76 HA THR 76 -0.844 13.813 -6.681 603 HB THR 76 HB THR 76 1.426 14.291 -6.476 604 HG1 THR 76 HG1 THR 76 2.548 13.054 -5.235 605 HG21 THR 76 3HG2 THR 76 -0.276 15.836 -5.038 606 HG22 THR 76 1HG2 THR 76 1.455 16.163 -5.122 607 HG23 THR 76 2HG2 THR 76 0.795 15.304 -3.741 608 H LYS 77 H LYS 77 -0.249 11.638 -3.971 609 HA LYS 77 HA LYS 77 0.955 9.547 -5.410 610 HB2 LYS 77 2HB LYS 77 0.454 8.158 -3.501 611 HB3 LYS 77 1HB LYS 77 0.939 9.753 -2.927 612 HG2 LYS 77 2HG LYS 77 -1.410 10.399 -2.660 613 HG3 LYS 77 1HG LYS 77 -1.935 8.824 -3.247 614 HD2 LYS 77 2HD LYS 77 -0.786 7.722 -1.384 615 HD3 LYS 77 1HD LYS 77 -0.256 9.289 -0.781 616 HE2 LYS 77 2HE LYS 77 -2.214 8.793 0.477 617 HE3 LYS 77 1HE LYS 77 -2.758 9.929 -0.760 618 HZ1 LYS 77 3HZ LYS 77 -2.905 6.975 -1.027 619 HZ2 LYS 77 1HZ LYS 77 -3.576 8.130 -2.071 620 HZ3 LYS 77 2HZ LYS 77 -4.194 7.950 -0.501 621 H VAL 78 H VAL 78 -2.272 10.684 -5.290 622 HA VAL 78 HA VAL 78 -3.646 8.281 -5.903 623 HB VAL 78 HB VAL 78 -4.708 10.407 -5.105 624 HG11 VAL 78 1HG1 VAL 78 -4.525 11.322 -7.968 625 HG12 VAL 78 2HG1 VAL 78 -3.345 11.817 -6.752 626 HG13 VAL 78 3HG1 VAL 78 -5.045 12.244 -6.558 627 HG21 VAL 78 3HG2 VAL 78 -6.736 10.052 -6.302 628 HG22 VAL 78 1HG2 VAL 78 -5.920 8.492 -6.316 629 HG23 VAL 78 2HG2 VAL 78 -5.873 9.521 -7.745 630 H CYS 79 H CYS 79 -2.315 10.883 -7.940 631 HA CYS 79 HA CYS 79 -3.116 9.709 -10.409 632 HB2 CYS 79 2HB CYS 79 -2.294 12.166 -9.780 633 HB3 CYS 79 1HB CYS 79 -0.734 11.524 -10.285 634 HG CYS 79 HG CYS 79 -2.593 12.502 -12.234 635 H ALA 80 H ALA 80 -0.047 9.785 -8.603 636 HA ALA 80 HA ALA 80 1.465 8.282 -10.464 637 HB1 ALA 80 3HB ALA 80 1.778 8.424 -7.455 638 HB2 ALA 80 1HB ALA 80 2.465 9.568 -8.606 639 HB3 ALA 80 2HB ALA 80 3.009 7.889 -8.601 640 H LEU 81 H LEU 81 -0.553 7.300 -7.726 641 HA LEU 81 HA LEU 81 0.106 4.580 -7.759 642 HB2 LEU 81 2HB LEU 81 -1.054 5.591 -5.860 643 HB3 LEU 81 1HB LEU 81 -2.455 5.939 -6.872 644 HG LEU 81 HG LEU 81 -2.822 3.534 -7.229 645 HD11 LEU 81 1HD1 LEU 81 -0.197 3.349 -5.760 646 HD12 LEU 81 2HD1 LEU 81 -0.726 2.498 -7.213 647 HD13 LEU 81 3HD1 LEU 81 -1.348 2.022 -5.644 648 HD21 LEU 81 3HD2 LEU 81 -3.941 4.436 -5.312 649 HD22 LEU 81 1HD2 LEU 81 -2.459 4.388 -4.354 650 HD23 LEU 81 2HD2 LEU 81 -3.255 2.886 -4.826 651 H LEU 82 H LEU 82 -2.450 6.411 -9.392 652 HA LEU 82 HA LEU 82 -3.760 4.209 -10.578 653 HB2 LEU 82 2HB LEU 82 -3.525 7.110 -11.386 654 HB3 LEU 82 1HB LEU 82 -4.542 5.961 -12.247 655 HG LEU 82 HG LEU 82 -4.769 6.343 -9.255 656 HD11 LEU 82 1HD1 LEU 82 -5.168 8.537 -10.191 657 HD12 LEU 82 2HD1 LEU 82 -6.734 7.828 -9.800 658 HD13 LEU 82 3HD1 LEU 82 -6.173 7.856 -11.473 659 HD21 LEU 82 3HD2 LEU 82 -6.460 5.085 -11.423 660 HD22 LEU 82 1HD2 LEU 82 -7.174 5.590 -9.898 661 HD23 LEU 82 2HD2 LEU 82 -5.907 4.379 -9.909 662 H ASP 83 H ASP 83 -1.085 6.239 -11.688 663 HA ASP 83 HA ASP 83 -0.847 5.144 -14.281 664 HB2 ASP 83 2HB ASP 83 1.155 6.448 -12.437 665 HB3 ASP 83 1HB ASP 83 1.557 5.949 -14.080 666 H ARG 84 H ARG 84 0.652 4.234 -11.190 667 HA ARG 84 HA ARG 84 2.232 2.115 -12.265 668 HB2 ARG 84 2HB ARG 84 1.290 2.751 -9.469 669 HB3 ARG 84 1HB ARG 84 2.331 1.376 -9.842 670 HG2 ARG 84 2HG ARG 84 3.998 2.889 -10.839 671 HG3 ARG 84 1HG ARG 84 2.952 4.272 -10.483 672 HD2 ARG 84 2HD ARG 84 3.088 3.770 -8.078 673 HD3 ARG 84 1HD ARG 84 4.115 2.380 -8.420 674 HE ARG 84 HE ARG 84 5.187 4.812 -9.511 675 HH11 ARG 84 1HH2 ARG 84 4.803 2.899 -6.655 676 HH12 ARG 84 2HH2 ARG 84 6.225 3.517 -5.881 677 HH21 ARG 84 1HH1 ARG 84 7.053 5.626 -8.505 678 HH22 ARG 84 2HH1 ARG 84 7.499 5.061 -6.930 679 H LEU 85 H LEU 85 -1.017 2.321 -10.914 680 HA LEU 85 HA LEU 85 -1.542 -0.416 -10.631 681 HB2 LEU 85 2HB LEU 85 -3.006 1.268 -9.692 682 HB3 LEU 85 1HB LEU 85 -3.399 1.881 -11.295 683 HG LEU 85 HG LEU 85 -3.860 -1.054 -10.969 684 HD11 LEU 85 1HD1 LEU 85 -4.604 -0.440 -8.779 685 HD12 LEU 85 2HD1 LEU 85 -6.045 -0.624 -9.776 686 HD13 LEU 85 3HD1 LEU 85 -5.438 0.986 -9.389 687 HD21 LEU 85 3HD2 LEU 85 -4.509 0.528 -12.924 688 HD22 LEU 85 1HD2 LEU 85 -5.797 1.091 -11.866 689 HD23 LEU 85 2HD2 LEU 85 -5.733 -0.602 -12.355 690 H ALA 86 H ALA 86 -1.954 1.757 -13.408 691 HA ALA 86 HA ALA 86 -2.956 -0.391 -15.099 692 HB1 ALA 86 3HB ALA 86 -3.238 1.259 -16.763 693 HB2 ALA 86 1HB ALA 86 -2.055 2.333 -16.016 694 HB3 ALA 86 2HB ALA 86 -3.623 2.079 -15.251 695 H GLY 87 H GLY 87 0.073 0.772 -14.107 696 HA2 GLY 87 2HA GLY 87 1.421 -0.940 -16.070 697 HA3 GLY 87 1HA GLY 87 1.875 0.763 -16.056 698 H ASP 88 H ASP 88 1.293 -1.821 -13.665 699 HA ASP 88 HA ASP 88 2.747 -0.999 -11.523 700 HB2 ASP 88 2HB ASP 88 2.689 -3.752 -12.758 701 HB3 ASP 88 1HB ASP 88 3.411 -3.414 -11.185 702 H TYR 89 H TYR 89 4.481 0.336 -11.993 703 HA TYR 89 HA TYR 89 6.708 -0.796 -13.526 704 HB2 TYR 89 2HB TYR 89 5.657 1.735 -13.471 705 HB3 TYR 89 1HB TYR 89 6.986 1.942 -12.352 706 HD1 TYR 89 HD2 TYR 89 8.932 -0.058 -13.475 707 HD2 TYR 89 HD1 TYR 89 6.438 2.855 -15.405 708 HE1 TYR 89 HE2 TYR 89 10.507 0.024 -15.364 709 HE2 TYR 89 HE1 TYR 89 8.025 2.943 -17.308 710 HH TYR 89 HH TYR 89 10.762 0.728 -17.521 711 H VAL 90 H VAL 90 6.762 -2.345 -11.566 712 HA VAL 90 HA VAL 90 8.971 -1.463 -9.867 713 HB VAL 90 HB VAL 90 6.351 -2.457 -8.727 714 HG11 VAL 90 1HG1 VAL 90 9.045 -1.918 -7.455 715 HG12 VAL 90 2HG1 VAL 90 8.171 -3.448 -7.497 716 HG13 VAL 90 3HG1 VAL 90 7.551 -2.108 -6.538 717 HG21 VAL 90 3HG2 VAL 90 7.827 0.183 -8.628 718 HG22 VAL 90 1HG2 VAL 90 6.565 -0.235 -7.476 719 HG23 VAL 90 2HG2 VAL 90 6.181 -0.113 -9.189 720 H TYR 91 H TYR 91 10.356 -3.082 -9.373 721 HA TYR 91 HA TYR 91 9.468 -5.872 -9.865 722 HB2 TYR 91 2HB TYR 91 12.203 -4.910 -10.685 723 HB3 TYR 91 1HB TYR 91 11.346 -6.371 -11.177 724 HD1 TYR 91 HD2 TYR 91 8.802 -5.675 -12.106 725 HD2 TYR 91 HD1 TYR 91 12.415 -3.357 -12.411 726 HE1 TYR 91 HE2 TYR 91 7.866 -4.477 -14.062 727 HE2 TYR 91 HE1 TYR 91 11.470 -2.158 -14.369 728 HH TYR 91 HH TYR 91 9.800 -2.084 -15.848 729 H LEU 92 H LEU 92 10.034 -7.241 -8.306 730 HA LEU 92 HA LEU 92 11.869 -6.287 -6.223 731 HB2 LEU 92 2HB LEU 92 9.696 -6.829 -5.364 732 HB3 LEU 92 1HB LEU 92 9.710 -8.377 -6.196 733 HG LEU 92 HG LEU 92 12.058 -7.940 -4.398 734 HD11 LEU 92 1HD1 LEU 92 10.574 -6.941 -2.887 735 HD12 LEU 92 2HD1 LEU 92 10.581 -8.631 -2.401 736 HD13 LEU 92 3HD1 LEU 92 9.236 -7.991 -3.345 737 HD21 LEU 92 3HD2 LEU 92 11.784 -10.263 -3.977 738 HD22 LEU 92 1HD2 LEU 92 11.300 -10.083 -5.664 739 HD23 LEU 92 2HD2 LEU 92 10.074 -10.225 -4.411 740 H PHE 93 H PHE 93 13.692 -7.312 -5.702 741 HA PHE 93 HA PHE 93 14.187 -10.036 -6.615 742 HB2 PHE 93 2HB PHE 93 16.179 -9.468 -7.955 743 HB3 PHE 93 1HB PHE 93 14.706 -8.804 -8.664 744 HD1 PHE 93 HD2 PHE 93 14.176 -6.392 -8.436 745 HD2 PHE 93 HD1 PHE 93 17.885 -8.032 -7.031 746 HE1 PHE 93 HE2 PHE 93 15.134 -4.119 -8.291 747 HE2 PHE 93 HE1 PHE 93 18.844 -5.753 -6.888 748 HZ PHE 93 HZ PHE 93 17.470 -3.790 -7.525 749 H ASP 94 H ASP 94 15.957 -11.006 -5.601 750 HA ASP 94 HA ASP 94 16.874 -9.595 -3.200 751 HB2 ASP 94 2HB ASP 94 17.617 -11.758 -2.433 752 HB3 ASP 94 1HB ASP 94 15.979 -11.921 -3.064 753 H GLU 95 H GLU 95 19.278 -10.882 -2.751 754 HA GLU 95 HA GLU 95 21.113 -9.253 -4.113 755 HB2 GLU 95 2HB GLU 95 21.550 -11.859 -2.635 756 HB3 GLU 95 1HB GLU 95 22.839 -10.771 -3.146 757 HG2 GLU 95 2HG GLU 95 20.538 -9.934 -1.363 758 HG3 GLU 95 1HG GLU 95 22.114 -10.439 -0.758 759 H GLY 96 H GLY 96 20.086 -12.588 -4.695 760 HA2 GLY 96 2HA GLY 96 21.940 -13.311 -6.664 761 HA3 GLY 96 1HA GLY 96 20.300 -13.948 -6.547 762 H GLY 97 H GLY 97 18.990 -11.387 -6.877 763 HA2 GLY 97 2HA GLY 97 18.699 -9.675 -8.513 764 HA3 GLY 97 1HA GLY 97 19.779 -10.546 -9.596 765 H ASP 98 H ASP 98 18.174 -13.046 -8.621 766 HA ASP 98 HA ASP 98 16.252 -12.938 -10.823 767 HB2 ASP 98 2HB ASP 98 17.781 -14.912 -10.383 768 HB3 ASP 98 1HB ASP 98 16.805 -15.248 -8.955 769 H GLU 99 H GLU 99 14.293 -12.132 -10.439 770 HA GLU 99 HA GLU 99 13.097 -11.467 -8.088 771 HB2 GLU 99 2HB GLU 99 10.875 -12.001 -9.332 772 HB3 GLU 99 1HB GLU 99 11.958 -10.792 -10.020 773 HG2 GLU 99 2HG GLU 99 12.879 -12.411 -11.573 774 HG3 GLU 99 1HG GLU 99 11.967 -13.715 -10.820 775 H VAL 100 H VAL 100 13.581 -12.973 -6.456 776 HA VAL 100 HA VAL 100 11.728 -15.262 -6.370 777 HB VAL 100 HB VAL 100 14.008 -16.012 -7.218 778 HG11 VAL 100 1HG1 VAL 100 14.867 -15.576 -4.351 779 HG12 VAL 100 2HG1 VAL 100 15.203 -14.394 -5.615 780 HG13 VAL 100 3HG1 VAL 100 15.867 -16.024 -5.736 781 HG21 VAL 100 3HG2 VAL 100 12.512 -17.633 -6.238 782 HG22 VAL 100 1HG2 VAL 100 12.864 -17.056 -4.611 783 HG23 VAL 100 2HG2 VAL 100 14.101 -17.912 -5.530 784 H ILE 101 H ILE 101 10.975 -15.723 -4.360 785 HA ILE 101 HA ILE 101 11.196 -13.724 -2.346 786 HB ILE 101 HB ILE 101 10.195 -16.543 -1.914 787 HG12 ILE 101 2HG1 ILE 101 9.162 -15.785 -3.970 788 HG13 ILE 101 1HG1 ILE 101 7.974 -15.613 -2.680 789 HG21 ILE 101 1HG2 ILE 101 10.315 -15.118 0.075 790 HG22 ILE 101 2HG2 ILE 101 8.627 -15.337 -0.390 791 HG23 ILE 101 3HG2 ILE 101 9.458 -13.830 -0.773 792 HD11 ILE 101 3HD1 ILE 101 9.596 -13.463 -4.039 793 HD12 ILE 101 1HD1 ILE 101 8.865 -13.181 -2.460 794 HD13 ILE 101 2HD1 ILE 101 7.848 -13.559 -3.848 795 H ALA 102 H ALA 102 12.644 -13.482 -0.779 796 HA ALA 102 HA ALA 102 14.029 -15.786 0.332 797 HB1 ALA 102 3HB ALA 102 15.997 -15.510 -0.781 798 HB2 ALA 102 1HB ALA 102 16.079 -13.815 -0.289 799 HB3 ALA 102 2HB ALA 102 15.226 -14.269 -1.757 800 HA PRO 103 HA PRO 103 14.306 -13.692 4.178 801 HB2 PRO 103 2HB PRO 103 17.273 -13.362 3.775 802 HB3 PRO 103 1HB PRO 103 16.398 -13.983 5.181 803 HG2 PRO 103 2HG PRO 103 17.638 -15.622 3.469 804 HG3 PRO 103 1HG PRO 103 16.111 -16.078 4.250 805 HD2 PRO 103 2HD PRO 103 16.621 -15.313 1.434 806 HD3 PRO 103 1HD PRO 103 15.320 -16.309 2.116 807 H ARG 104 H ARG 104 16.444 -12.226 1.720 808 HA ARG 104 HA ARG 104 15.849 -9.533 2.792 809 HB2 ARG 104 2HB ARG 104 17.887 -10.527 0.800 810 HB3 ARG 104 1HB ARG 104 17.656 -8.830 1.217 811 HG2 ARG 104 2HG ARG 104 18.460 -9.083 3.389 812 HG3 ARG 104 1HG ARG 104 18.051 -10.798 3.464 813 HD2 ARG 104 2HD ARG 104 20.438 -10.605 3.311 814 HD3 ARG 104 1HD ARG 104 19.849 -11.249 1.790 815 HE ARG 104 HE ARG 104 20.460 -9.244 0.727 816 HH11 ARG 104 1HH2 ARG 104 20.733 -9.049 4.168 817 HH12 ARG 104 2HH2 ARG 104 21.612 -7.559 4.154 818 HH21 ARG 104 1HH1 ARG 104 21.613 -7.286 0.697 819 HH22 ARG 104 2HH1 ARG 104 22.110 -6.558 2.187 820 H MET 105 H MET 105 14.340 -8.341 1.851 821 HA MET 105 HA MET 105 13.528 -8.977 -0.942 822 HB2 MET 105 2HB MET 105 11.975 -8.062 1.478 823 HB3 MET 105 1HB MET 105 11.362 -7.785 -0.151 824 HG2 MET 105 2HG MET 105 11.252 -10.102 -0.632 825 HG3 MET 105 1HG MET 105 12.276 -10.524 0.742 826 HE1 MET 105 3HE MET 105 7.951 -9.187 0.598 827 HE2 MET 105 1HE MET 105 9.288 -8.788 -0.483 828 HE3 MET 105 2HE MET 105 9.058 -7.886 1.012 829 H TYR 106 H TYR 106 13.327 -7.361 -2.402 830 HA TYR 106 HA TYR 106 13.731 -4.576 -1.557 831 HB2 TYR 106 2HB TYR 106 16.000 -5.329 -1.963 832 HB3 TYR 106 1HB TYR 106 15.531 -6.022 -3.515 833 HD1 TYR 106 HD1 TYR 106 15.774 -2.822 -1.620 834 HD2 TYR 106 HD2 TYR 106 15.402 -4.684 -5.468 835 HE1 TYR 106 HE1 TYR 106 16.147 -0.630 -2.716 836 HE2 TYR 106 HE2 TYR 106 15.783 -2.492 -6.579 837 HH TYR 106 HH TYR 106 16.327 -0.356 -6.262 838 H CYS 107 H CYS 107 11.716 -4.008 -2.270 839 HA CYS 107 HA CYS 107 10.971 -4.614 -5.050 840 HB2 CYS 107 2HB CYS 107 9.437 -4.930 -2.983 841 HB3 CYS 107 1HB CYS 107 9.200 -3.190 -3.109 842 HG CYS 107 HG CYS 107 8.153 -5.292 -5.096 843 H SER 108 H SER 108 11.552 -3.202 -6.552 844 HA SER 108 HA SER 108 10.822 -0.456 -6.368 845 HB2 SER 108 2HB SER 108 12.862 0.632 -6.048 846 HB3 SER 108 1HB SER 108 12.987 -0.712 -4.915 847 HG SER 108 HG SER 108 13.782 -1.462 -7.373 848 H PHE 109 H PHE 109 11.484 0.772 -8.308 849 HA PHE 109 HA PHE 109 11.139 -0.753 -10.654 850 HB2 PHE 109 2HB PHE 109 10.484 1.475 -10.909 851 HB3 PHE 109 1HB PHE 109 11.901 2.091 -10.059 852 HD1 PHE 109 HD1 PHE 109 11.637 -0.345 -12.893 853 HD2 PHE 109 HD2 PHE 109 13.030 3.497 -11.574 854 HE1 PHE 109 HE1 PHE 109 12.818 -0.039 -15.045 855 HE2 PHE 109 HE2 PHE 109 14.202 3.810 -13.736 856 HZ PHE 109 HZ PHE 109 14.094 2.042 -15.472 857 H SER 110 H SER 110 14.043 0.934 -9.424 858 HA SER 110 HA SER 110 15.899 0.354 -11.318 859 HB2 SER 110 2HB SER 110 17.553 0.647 -9.688 860 HB3 SER 110 1HB SER 110 16.160 1.458 -8.966 861 HG SER 110 HG SER 110 17.279 -0.065 -7.571 862 H ALA 111 H ALA 111 17.291 -1.361 -11.801 863 HA ALA 111 HA ALA 111 16.274 -4.009 -10.978 864 HB1 ALA 111 3HB ALA 111 18.019 -4.356 -13.177 865 HB2 ALA 111 1HB ALA 111 17.130 -2.873 -13.526 866 HB3 ALA 111 2HB ALA 111 16.258 -4.371 -13.219 867 HA PRO 112 HA PRO 112 19.938 -5.183 -8.881 868 HB2 PRO 112 2HB PRO 112 20.599 -7.588 -10.177 869 HB3 PRO 112 1HB PRO 112 19.399 -7.422 -8.880 870 HG2 PRO 112 2HG PRO 112 18.989 -7.508 -11.840 871 HG3 PRO 112 1HG PRO 112 18.025 -8.249 -10.547 872 HD2 PRO 112 2HD PRO 112 17.191 -6.033 -11.766 873 HD3 PRO 112 1HD PRO 112 16.947 -6.240 -10.023 874 H ASP 113 H ASP 113 20.074 -5.216 -12.394 875 HA ASP 113 HA ASP 113 23.004 -4.741 -12.314 876 HB2 ASP 113 2HB ASP 113 21.168 -5.619 -14.552 877 HB3 ASP 113 1HB ASP 113 22.865 -5.190 -14.775 878 H ASP 114 H ASP 114 20.519 -2.884 -11.902 879 HA ASP 114 HA ASP 114 19.790 -0.797 -12.616 880 HB2 ASP 114 2HB ASP 114 22.801 -0.516 -12.700 881 HB3 ASP 114 1HB ASP 114 21.662 0.831 -12.709 Start of MODEL 17 1 HA2 GLY 1 2HA GLY 1 -22.583 -16.655 -11.895 2 HA3 GLY 1 1HA GLY 1 -22.289 -18.272 -12.538 3 H LYS 2 H LYS 2 -20.415 -18.621 -11.309 4 HA LYS 2 HA LYS 2 -18.243 -16.797 -11.173 5 HB2 LYS 2 2HB LYS 2 -18.730 -18.784 -9.623 6 HB3 LYS 2 1HB LYS 2 -18.036 -19.797 -10.887 7 HG2 LYS 2 2HG LYS 2 -16.142 -19.376 -9.593 8 HG3 LYS 2 1HG LYS 2 -16.029 -18.064 -10.762 9 HD2 LYS 2 2HD LYS 2 -17.129 -16.535 -9.163 10 HD3 LYS 2 1HD LYS 2 -17.275 -17.855 -8.002 11 HE2 LYS 2 2HE LYS 2 -14.616 -16.972 -9.140 12 HE3 LYS 2 1HE LYS 2 -15.285 -16.301 -7.651 13 HZ1 LYS 2 3HZ LYS 2 -15.565 -18.955 -7.278 14 HZ2 LYS 2 1HZ LYS 2 -14.278 -18.024 -6.680 15 HZ3 LYS 2 2HZ LYS 2 -14.099 -18.881 -8.136 16 H LYS 3 H LYS 3 -16.674 -16.366 -12.593 17 HA LYS 3 HA LYS 3 -16.685 -17.600 -15.191 18 HB2 LYS 3 2HB LYS 3 -14.848 -15.590 -13.893 19 HB3 LYS 3 1HB LYS 3 -14.674 -16.127 -15.564 20 HG2 LYS 3 2HG LYS 3 -17.033 -15.411 -15.988 21 HG3 LYS 3 1HG LYS 3 -17.094 -14.758 -14.351 22 HD2 LYS 3 2HD LYS 3 -15.035 -13.917 -16.408 23 HD3 LYS 3 1HD LYS 3 -16.549 -13.059 -16.146 24 HE2 LYS 3 2HE LYS 3 -15.840 -12.913 -13.674 25 HE3 LYS 3 1HE LYS 3 -14.237 -13.396 -14.229 26 HZ1 LYS 3 3HZ LYS 3 -14.042 -11.164 -14.442 27 HZ2 LYS 3 1HZ LYS 3 -15.699 -10.915 -14.704 28 HZ3 LYS 3 2HZ LYS 3 -14.720 -11.492 -15.964 29 H VAL 4 H VAL 4 -14.345 -17.500 -12.510 30 HA VAL 4 HA VAL 4 -12.735 -19.599 -13.768 31 HB VAL 4 HB VAL 4 -11.544 -17.731 -12.750 32 HG11 VAL 4 1HG1 VAL 4 -11.681 -17.308 -10.342 33 HG12 VAL 4 2HG1 VAL 4 -12.850 -18.615 -10.160 34 HG13 VAL 4 3HG1 VAL 4 -13.284 -17.165 -11.064 35 HG21 VAL 4 3HG2 VAL 4 -10.679 -20.140 -12.620 36 HG22 VAL 4 1HG2 VAL 4 -11.214 -20.133 -10.940 37 HG23 VAL 4 2HG2 VAL 4 -9.973 -19.001 -11.474 38 H GLU 5 H GLU 5 -12.188 -21.549 -12.669 39 HA GLU 5 HA GLU 5 -14.419 -22.846 -11.479 40 HB2 GLU 5 2HB GLU 5 -11.517 -23.657 -11.733 41 HB3 GLU 5 1HB GLU 5 -12.782 -24.714 -11.108 42 HG2 GLU 5 2HG GLU 5 -14.017 -24.541 -13.208 43 HG3 GLU 5 1HG GLU 5 -12.831 -23.397 -13.837 44 H PHE 6 H PHE 6 -14.547 -23.784 -9.357 45 HA PHE 6 HA PHE 6 -13.815 -21.969 -7.279 46 HB2 PHE 6 2HB PHE 6 -14.904 -24.792 -7.138 47 HB3 PHE 6 1HB PHE 6 -14.820 -23.666 -5.786 48 HD1 PHE 6 HD2 PHE 6 -16.090 -21.495 -5.892 49 HD2 PHE 6 HD1 PHE 6 -16.660 -24.651 -8.750 50 HE1 PHE 6 HE2 PHE 6 -18.247 -20.483 -6.578 51 HE2 PHE 6 HE1 PHE 6 -18.818 -23.639 -9.436 52 HZ PHE 6 HZ PHE 6 -19.613 -21.557 -8.350 53 H ASN 7 H ASN 7 -13.168 -23.888 -5.227 54 HA ASN 7 HA ASN 7 -11.326 -24.776 -4.194 55 HB2 ASN 7 2HB ASN 7 -10.482 -25.607 -6.980 56 HB3 ASN 7 1HB ASN 7 -9.963 -26.319 -5.453 57 HD21 ASN 7 1HD2 ASN 7 -12.794 -26.041 -4.349 58 HD22 ASN 7 2HD2 ASN 7 -13.658 -27.307 -5.079 59 H ASP 8 H ASP 8 -10.895 -22.343 -4.002 60 HA ASP 8 HA ASP 8 -8.169 -21.827 -5.027 61 HB2 ASP 8 2HB ASP 8 -8.733 -19.519 -5.524 62 HB3 ASP 8 1HB ASP 8 -9.779 -20.592 -6.452 63 H LYS 9 H LYS 9 -8.918 -19.025 -3.766 64 HA LYS 9 HA LYS 9 -7.414 -19.149 -1.516 65 HB2 LYS 9 2HB LYS 9 -8.373 -17.093 -2.561 66 HB3 LYS 9 1HB LYS 9 -9.892 -17.436 -1.731 67 HG2 LYS 9 2HG LYS 9 -8.554 -17.515 0.431 68 HG3 LYS 9 1HG LYS 9 -7.191 -16.873 -0.479 69 HD2 LYS 9 2HD LYS 9 -9.902 -15.520 -0.381 70 HD3 LYS 9 1HD LYS 9 -8.596 -15.145 0.742 71 HE2 LYS 9 2HE LYS 9 -8.560 -14.807 -2.270 72 HE3 LYS 9 1HE LYS 9 -8.503 -13.535 -1.051 73 HZ1 LYS 9 3HZ LYS 9 -6.303 -13.732 -1.459 74 HZ2 LYS 9 1HZ LYS 9 -6.405 -15.357 -1.935 75 HZ3 LYS 9 2HZ LYS 9 -6.426 -14.953 -0.285 76 HA PRO 10 HA PRO 10 -10.025 -21.692 1.150 77 HB2 PRO 10 2HB PRO 10 -8.452 -21.728 3.381 78 HB3 PRO 10 1HB PRO 10 -8.067 -22.667 1.924 79 HG2 PRO 10 2HG PRO 10 -6.936 -20.065 2.854 80 HG3 PRO 10 1HG PRO 10 -6.115 -21.448 2.108 81 HD2 PRO 10 2HD PRO 10 -6.830 -19.174 0.716 82 HD3 PRO 10 1HD PRO 10 -6.642 -20.770 -0.039 83 H LYS 11 H LYS 11 -11.822 -20.934 2.070 84 HA LYS 11 HA LYS 11 -11.857 -18.343 3.426 85 HB2 LYS 11 2HB LYS 11 -14.180 -20.240 3.081 86 HB3 LYS 11 1HB LYS 11 -14.228 -18.495 3.319 87 HG2 LYS 11 2HG LYS 11 -13.107 -19.898 0.871 88 HG3 LYS 11 1HG LYS 11 -14.683 -19.112 0.960 89 HD2 LYS 11 2HD LYS 11 -13.517 -16.961 1.520 90 HD3 LYS 11 1HD LYS 11 -11.976 -17.778 1.254 91 HE2 LYS 11 2HE LYS 11 -12.583 -18.270 -1.054 92 HE3 LYS 11 1HE LYS 11 -14.173 -17.540 -0.813 93 HZ1 LYS 11 3HZ LYS 11 -13.329 -15.466 -0.848 94 HZ2 LYS 11 1HZ LYS 11 -12.110 -16.197 -1.770 95 HZ3 LYS 11 2HZ LYS 11 -11.864 -15.912 -0.114 96 H VAL 12 H VAL 12 -14.036 -18.989 5.175 97 HA VAL 12 HA VAL 12 -14.233 -19.397 7.445 98 HB VAL 12 HB VAL 12 -13.154 -22.066 6.512 99 HG11 VAL 12 1HG1 VAL 12 -13.097 -22.029 8.900 100 HG12 VAL 12 2HG1 VAL 12 -14.598 -22.851 8.477 101 HG13 VAL 12 3HG1 VAL 12 -14.631 -21.164 8.994 102 HG21 VAL 12 3HG2 VAL 12 -15.077 -21.542 5.195 103 HG22 VAL 12 1HG2 VAL 12 -15.918 -20.831 6.574 104 HG23 VAL 12 2HG2 VAL 12 -15.671 -22.575 6.494 105 H ARG 13 H ARG 13 -11.464 -21.535 6.946 106 HA ARG 13 HA ARG 13 -10.114 -20.714 9.276 107 HB2 ARG 13 2HB ARG 13 -9.086 -22.088 6.783 108 HB3 ARG 13 1HB ARG 13 -8.169 -21.918 8.280 109 HG2 ARG 13 2HG ARG 13 -9.928 -23.138 9.502 110 HG3 ARG 13 1HG ARG 13 -10.850 -23.306 8.006 111 HD2 ARG 13 2HD ARG 13 -8.030 -24.348 8.367 112 HD3 ARG 13 1HD ARG 13 -9.473 -25.331 8.597 113 HE ARG 13 HE ARG 13 -9.752 -24.236 6.081 114 HH11 ARG 13 1HH2 ARG 13 -7.401 -26.129 7.772 115 HH12 ARG 13 2HH2 ARG 13 -6.845 -26.957 6.355 116 HH21 ARG 13 1HH1 ARG 13 -9.029 -25.319 4.217 117 HH22 ARG 13 2HH1 ARG 13 -7.767 -26.500 4.344 118 H LYS 14 H LYS 14 -7.961 -19.718 9.343 119 HA LYS 14 HA LYS 14 -7.974 -17.151 8.165 120 HB2 LYS 14 2HB LYS 14 -5.750 -18.687 9.522 121 HB3 LYS 14 1HB LYS 14 -5.649 -16.985 9.061 122 HG2 LYS 14 2HG LYS 14 -7.581 -16.457 10.467 123 HG3 LYS 14 1HG LYS 14 -7.757 -18.160 10.895 124 HD2 LYS 14 2HD LYS 14 -5.468 -18.115 11.877 125 HD3 LYS 14 1HD LYS 14 -5.382 -16.387 11.532 126 HE2 LYS 14 2HE LYS 14 -7.543 -17.664 13.229 127 HE3 LYS 14 1HE LYS 14 -6.091 -16.910 13.888 128 HZ1 LYS 14 3HZ LYS 14 -8.413 -15.682 12.617 129 HZ2 LYS 14 1HZ LYS 14 -6.903 -14.971 12.312 130 HZ3 LYS 14 2HZ LYS 14 -7.460 -15.127 13.910 131 H ILE 15 H ILE 15 -5.863 -16.368 7.035 132 HA ILE 15 HA ILE 15 -5.888 -17.140 4.439 133 HB ILE 15 HB ILE 15 -3.213 -16.403 4.740 134 HG12 ILE 15 2HG1 ILE 15 -3.861 -16.225 7.276 135 HG13 ILE 15 1HG1 ILE 15 -2.938 -14.927 6.532 136 HG21 ILE 15 1HG2 ILE 15 -4.142 -14.030 4.365 137 HG22 ILE 15 2HG2 ILE 15 -5.733 -14.798 4.375 138 HG23 ILE 15 3HG2 ILE 15 -4.531 -15.268 3.171 139 HD11 ILE 15 3HD1 ILE 15 -5.064 -14.380 8.009 140 HD12 ILE 15 1HD1 ILE 15 -5.935 -14.721 6.513 141 HD13 ILE 15 2HD1 ILE 15 -4.717 -13.445 6.555 142 HA PRO 16 HA PRO 16 -3.875 -21.047 3.793 143 HB2 PRO 16 2HB PRO 16 -1.791 -19.712 2.094 144 HB3 PRO 16 1HB PRO 16 -2.853 -21.082 1.709 145 HG2 PRO 16 2HG PRO 16 -3.313 -18.663 0.712 146 HG3 PRO 16 1HG PRO 16 -4.641 -19.720 1.216 147 HD2 PRO 16 2HD PRO 16 -3.522 -17.308 2.603 148 HD3 PRO 16 1HD PRO 16 -5.197 -17.887 2.508 149 H SER 17 H SER 17 -0.896 -21.012 3.045 150 HA SER 17 HA SER 17 0.121 -21.239 5.762 151 HB2 SER 17 2HB SER 17 1.399 -21.786 3.074 152 HB3 SER 17 1HB SER 17 2.153 -22.115 4.633 153 HG SER 17 HG SER 17 -0.196 -23.180 4.809 154 H THR 18 H THR 18 -0.434 -18.622 4.091 155 HA THR 18 HA THR 18 2.196 -17.365 4.137 156 HB THR 18 HB THR 18 1.220 -15.607 2.976 157 HG1 THR 18 HG1 THR 18 -0.882 -14.963 3.307 158 HG21 THR 18 3HG2 THR 18 -0.004 -16.559 1.243 159 HG22 THR 18 1HG2 THR 18 -0.994 -17.523 2.336 160 HG23 THR 18 2HG2 THR 18 0.660 -18.016 1.983 161 H ARG 19 H ARG 19 2.857 -15.794 5.557 162 HA ARG 19 HA ARG 19 1.102 -15.190 7.870 163 HB2 ARG 19 2HB ARG 19 4.018 -16.007 7.909 164 HB3 ARG 19 1HB ARG 19 3.151 -15.348 9.297 165 HG2 ARG 19 2HG ARG 19 1.528 -17.200 9.174 166 HG3 ARG 19 1HG ARG 19 2.387 -17.861 7.783 167 HD2 ARG 19 2HD ARG 19 4.424 -18.109 9.172 168 HD3 ARG 19 1HD ARG 19 3.540 -17.487 10.561 169 HE ARG 19 HE ARG 19 2.239 -19.751 9.350 170 HH11 ARG 19 1HH2 ARG 19 4.740 -18.696 11.497 171 HH12 ARG 19 2HH2 ARG 19 4.755 -20.162 12.422 172 HH21 ARG 19 1HH1 ARG 19 2.254 -21.676 10.557 173 HH22 ARG 19 2HH1 ARG 19 3.348 -21.849 11.891 174 H LYS 20 H LYS 20 1.327 -13.179 8.745 175 HA LYS 20 HA LYS 20 2.513 -11.167 7.013 176 HB2 LYS 20 2HB LYS 20 0.974 -10.933 9.598 177 HB3 LYS 20 1HB LYS 20 1.524 -9.568 8.630 178 HG2 LYS 20 2HG LYS 20 0.200 -10.363 6.720 179 HG3 LYS 20 1HG LYS 20 -0.335 -11.757 7.660 180 HD2 LYS 20 2HD LYS 20 -1.399 -10.256 9.301 181 HD3 LYS 20 1HD LYS 20 -0.864 -8.856 8.369 182 HE2 LYS 20 2HE LYS 20 -2.182 -9.629 6.437 183 HE3 LYS 20 1HE LYS 20 -2.707 -11.042 7.353 184 HZ1 LYS 20 3HZ LYS 20 -4.396 -9.768 7.999 185 HZ2 LYS 20 1HZ LYS 20 -3.657 -8.338 7.458 186 HZ3 LYS 20 2HZ LYS 20 -3.284 -8.958 8.996 187 H ILE 21 H ILE 21 4.252 -9.908 7.421 188 HA ILE 21 HA ILE 21 5.760 -10.352 9.937 189 HB ILE 21 HB ILE 21 7.840 -10.355 8.635 190 HG12 ILE 21 2HG1 ILE 21 6.050 -10.507 6.187 191 HG13 ILE 21 1HG1 ILE 21 6.905 -9.052 6.673 192 HG21 ILE 21 1HG2 ILE 21 7.488 -12.599 7.562 193 HG22 ILE 21 2HG2 ILE 21 5.755 -12.401 7.830 194 HG23 ILE 21 3HG2 ILE 21 6.857 -12.493 9.202 195 HD11 ILE 21 3HD1 ILE 21 8.272 -10.170 5.034 196 HD12 ILE 21 1HD1 ILE 21 8.133 -11.706 5.890 197 HD13 ILE 21 2HD1 ILE 21 9.045 -10.380 6.603 198 H LYS 22 H LYS 22 6.915 -8.611 10.707 199 HA LYS 22 HA LYS 22 6.260 -5.994 9.465 200 HB2 LYS 22 2HB LYS 22 6.982 -6.735 12.311 201 HB3 LYS 22 1HB LYS 22 6.767 -5.084 11.734 202 HG2 LYS 22 2HG LYS 22 4.457 -5.611 11.063 203 HG3 LYS 22 1HG LYS 22 4.669 -7.267 11.630 204 HD2 LYS 22 2HD LYS 22 5.099 -6.436 13.912 205 HD3 LYS 22 1HD LYS 22 4.887 -4.778 13.349 206 HE2 LYS 22 2HE LYS 22 2.575 -5.294 12.679 207 HE3 LYS 22 1HE LYS 22 2.781 -6.958 13.224 208 HZ1 LYS 22 3HZ LYS 22 2.286 -6.328 15.268 209 HZ2 LYS 22 1HZ LYS 22 2.046 -4.734 14.739 210 HZ3 LYS 22 2HZ LYS 22 3.580 -5.227 15.280 211 H ILE 23 H ILE 23 7.977 -6.006 7.969 212 HA ILE 23 HA ILE 23 10.718 -6.052 9.078 213 HB ILE 23 HB ILE 23 9.934 -6.000 6.171 214 HG12 ILE 23 2HG1 ILE 23 8.881 -7.961 7.099 215 HG13 ILE 23 1HG1 ILE 23 10.341 -8.486 6.266 216 HG21 ILE 23 1HG2 ILE 23 12.263 -5.401 6.748 217 HG22 ILE 23 2HG2 ILE 23 12.190 -6.935 5.879 218 HG23 ILE 23 3HG2 ILE 23 12.432 -6.921 7.627 219 HD11 ILE 23 3HD1 ILE 23 11.479 -8.245 8.601 220 HD12 ILE 23 1HD1 ILE 23 10.449 -9.646 8.312 221 HD13 ILE 23 2HD1 ILE 23 9.830 -8.272 9.228 222 H THR 24 H THR 24 11.812 -4.222 9.311 223 HA THR 24 HA THR 24 10.638 -1.685 8.784 224 HB THR 24 HB THR 24 12.250 -2.018 10.601 225 HG1 THR 24 HG1 THR 24 12.340 0.041 10.071 226 HG21 THR 24 3HG2 THR 24 14.379 -2.273 8.475 227 HG22 THR 24 1HG2 THR 24 13.624 -3.680 9.226 228 HG23 THR 24 2HG2 THR 24 14.538 -2.539 10.212 229 H PHE 25 H PHE 25 10.990 -0.216 7.184 230 HA PHE 25 HA PHE 25 12.576 -1.127 4.839 231 HB2 PHE 25 2HB PHE 25 9.896 0.182 5.092 232 HB3 PHE 25 1HB PHE 25 10.900 0.665 3.726 233 HD1 PHE 25 HD2 PHE 25 12.144 -1.413 2.550 234 HD2 PHE 25 HD1 PHE 25 8.442 -1.625 4.720 235 HE1 PHE 25 HE2 PHE 25 11.542 -3.469 1.310 236 HE2 PHE 25 HE1 PHE 25 7.838 -3.685 3.474 237 HZ PHE 25 HZ PHE 25 9.382 -4.601 1.765 238 H ALA 26 H ALA 26 14.084 0.155 4.041 239 HA ALA 26 HA ALA 26 14.270 2.965 4.912 240 HB1 ALA 26 3HB ALA 26 16.526 0.946 5.033 241 HB2 ALA 26 1HB ALA 26 15.737 1.697 6.418 242 HB3 ALA 26 2HB ALA 26 16.693 2.679 5.310 243 H LEU 27 H LEU 27 15.116 4.323 3.346 244 HA LEU 27 HA LEU 27 15.804 5.040 1.293 245 HB2 LEU 27 2HB LEU 27 16.853 2.263 0.766 246 HB3 LEU 27 1HB LEU 27 17.389 3.785 0.059 247 HG LEU 27 HG LEU 27 17.660 3.016 2.979 248 HD11 LEU 27 1HD1 LEU 27 20.042 2.888 2.533 249 HD12 LEU 27 2HD1 LEU 27 19.790 3.373 0.856 250 HD13 LEU 27 3HD1 LEU 27 19.193 1.813 1.422 251 HD21 LEU 27 3HD2 LEU 27 19.174 5.130 2.897 252 HD22 LEU 27 1HD2 LEU 27 17.428 5.357 2.974 253 HD23 LEU 27 2HD2 LEU 27 18.272 5.535 1.435 254 H ASP 28 H ASP 28 13.210 4.375 1.510 255 HA ASP 28 HA ASP 28 12.641 3.268 -1.172 256 HB2 ASP 28 2HB ASP 28 10.491 2.918 0.824 257 HB3 ASP 28 1HB ASP 28 11.132 1.769 -0.352 258 H ALA 29 H ALA 29 12.852 6.028 0.337 259 HA ALA 29 HA ALA 29 11.663 8.029 0.440 260 HB1 ALA 29 3HB ALA 29 12.600 7.969 -1.829 261 HB2 ALA 29 1HB ALA 29 11.030 8.774 -1.826 262 HB3 ALA 29 2HB ALA 29 11.167 7.114 -2.403 263 H THR 30 H THR 30 9.410 7.797 -1.921 264 HA THR 30 HA THR 30 7.178 8.182 -0.340 265 HB THR 30 HB THR 30 6.595 8.632 -2.523 266 HG1 THR 30 HG1 THR 30 5.149 7.180 -3.115 267 HG21 THR 30 3HG2 THR 30 7.415 7.086 -4.423 268 HG22 THR 30 1HG2 THR 30 8.470 6.368 -3.207 269 HG23 THR 30 2HG2 THR 30 8.620 8.079 -3.604 270 H PHE 31 H PHE 31 8.036 5.102 -1.984 271 HA PHE 31 HA PHE 31 6.183 3.423 -0.981 272 HB2 PHE 31 2HB PHE 31 8.985 2.404 -0.790 273 HB3 PHE 31 1HB PHE 31 7.583 1.681 -1.561 274 HD1 PHE 31 HD2 PHE 31 6.571 3.455 -3.426 275 HD2 PHE 31 HD1 PHE 31 10.716 2.958 -2.327 276 HE1 PHE 31 HE2 PHE 31 7.255 4.357 -5.623 277 HE2 PHE 31 HE1 PHE 31 11.385 3.856 -4.544 278 HZ PHE 31 HZ PHE 31 9.663 4.556 -6.190 279 H ASP 32 H ASP 32 9.090 4.488 0.769 280 HA ASP 32 HA ASP 32 8.757 2.958 3.083 281 HB2 ASP 32 2HB ASP 32 10.710 4.517 2.461 282 HB3 ASP 32 1HB ASP 32 9.729 5.817 3.129 283 H SER 33 H SER 33 7.613 6.270 2.409 284 HA SER 33 HA SER 33 6.137 6.477 4.841 285 HB2 SER 33 2HB SER 33 5.954 8.034 2.260 286 HB3 SER 33 1HB SER 33 5.054 8.442 3.718 287 HG SER 33 HG SER 33 7.612 8.012 4.349 288 H VAL 34 H VAL 34 5.212 5.553 1.552 289 HA VAL 34 HA VAL 34 2.432 5.474 1.943 290 HB VAL 34 HB VAL 34 4.158 3.844 0.070 291 HG11 VAL 34 1HG1 VAL 34 1.994 3.849 -1.287 292 HG12 VAL 34 2HG1 VAL 34 1.190 4.372 0.193 293 HG13 VAL 34 3HG1 VAL 34 2.017 2.815 0.141 294 HG21 VAL 34 3HG2 VAL 34 2.609 6.358 -0.572 295 HG22 VAL 34 1HG2 VAL 34 3.882 5.586 -1.521 296 HG23 VAL 34 2HG2 VAL 34 4.280 6.417 -0.019 297 H LEU 35 H LEU 35 4.820 2.810 2.011 298 HA LEU 35 HA LEU 35 2.948 0.839 2.827 299 HB2 LEU 35 2HB LEU 35 5.937 1.004 2.692 300 HB3 LEU 35 1HB LEU 35 5.214 -0.308 3.620 301 HG LEU 35 HG LEU 35 3.899 -0.991 1.649 302 HD11 LEU 35 1HD1 LEU 35 3.650 1.183 0.558 303 HD12 LEU 35 2HD1 LEU 35 4.415 0.047 -0.554 304 HD13 LEU 35 3HD1 LEU 35 5.388 1.262 0.271 305 HD21 LEU 35 3HD2 LEU 35 6.812 -0.644 0.889 306 HD22 LEU 35 1HD2 LEU 35 5.723 -1.944 0.403 307 HD23 LEU 35 2HD2 LEU 35 6.255 -1.821 2.079 308 H SER 36 H SER 36 5.212 2.888 4.623 309 HA SER 36 HA SER 36 4.842 1.746 7.158 310 HB2 SER 36 2HB SER 36 5.482 4.599 6.380 311 HB3 SER 36 1HB SER 36 5.591 3.967 8.021 312 HG SER 36 HG SER 36 7.340 2.895 7.491 313 H LYS 37 H LYS 37 3.076 4.355 5.521 314 HA LYS 37 HA LYS 37 1.297 4.760 7.742 315 HB2 LYS 37 2HB LYS 37 1.889 6.612 6.236 316 HB3 LYS 37 1HB LYS 37 1.145 5.758 4.887 317 HG2 LYS 37 2HG LYS 37 -0.388 7.461 5.774 318 HG3 LYS 37 1HG LYS 37 -1.049 5.849 6.036 319 HD2 LYS 37 2HD LYS 37 -0.543 5.889 8.347 320 HD3 LYS 37 1HD LYS 37 0.595 7.223 8.165 321 HE2 LYS 37 2HE LYS 37 -1.277 8.733 7.609 322 HE3 LYS 37 1HE LYS 37 -2.410 7.390 7.769 323 HZ1 LYS 37 3HZ LYS 37 -0.789 8.689 9.866 324 HZ2 LYS 37 1HZ LYS 37 -1.420 7.132 10.086 325 HZ3 LYS 37 2HZ LYS 37 -2.469 8.443 9.827 326 H ALA 38 H ALA 38 1.321 2.814 4.866 327 HA ALA 38 HA ALA 38 -1.510 2.309 4.833 328 HB1 ALA 38 3HB ALA 38 0.722 0.804 3.458 329 HB2 ALA 38 1HB ALA 38 -0.114 2.200 2.783 330 HB3 ALA 38 2HB ALA 38 -0.995 0.703 3.081 331 H CYS 39 H CYS 39 1.146 -0.038 5.094 332 HA CYS 39 HA CYS 39 -0.039 -1.205 7.488 333 HB2 CYS 39 2HB CYS 39 -0.189 -3.455 6.451 334 HB3 CYS 39 1HB CYS 39 -1.324 -2.305 5.749 335 HG CYS 39 HG CYS 39 1.203 -2.259 4.131 336 H SER 40 H SER 40 1.831 -0.927 8.616 337 HA SER 40 HA SER 40 4.448 -1.242 7.757 338 HB2 SER 40 2HB SER 40 5.012 -1.673 10.124 339 HB3 SER 40 1HB SER 40 3.886 -0.330 9.956 340 HG SER 40 HG SER 40 2.817 -1.489 11.378 341 H GLU 41 H GLU 41 2.079 -3.670 8.605 342 HA GLU 41 HA GLU 41 4.016 -5.854 8.558 343 HB2 GLU 41 2HB GLU 41 2.042 -7.285 8.934 344 HB3 GLU 41 1HB GLU 41 2.127 -5.974 10.113 345 HG2 GLU 41 2HG GLU 41 0.550 -4.654 8.703 346 HG3 GLU 41 1HG GLU 41 0.407 -6.035 7.616 347 H PHE 42 H PHE 42 4.182 -7.406 6.946 348 HA PHE 42 HA PHE 42 2.694 -6.900 4.424 349 HB2 PHE 42 2HB PHE 42 5.606 -7.706 4.602 350 HB3 PHE 42 1HB PHE 42 4.702 -7.246 3.157 351 HD1 PHE 42 HD2 PHE 42 3.796 -4.875 2.970 352 HD2 PHE 42 HD1 PHE 42 6.602 -6.068 5.995 353 HE1 PHE 42 HE2 PHE 42 4.363 -2.496 3.385 354 HE2 PHE 42 HE1 PHE 42 7.167 -3.691 6.409 355 HZ PHE 42 HZ PHE 42 6.050 -1.906 5.106 356 H GLU 43 H GLU 43 1.954 -8.677 3.382 357 HA GLU 43 HA GLU 43 1.987 -11.190 4.795 358 HB2 GLU 43 2HB GLU 43 -0.007 -10.358 3.562 359 HB3 GLU 43 1HB GLU 43 0.881 -10.578 2.053 360 HG2 GLU 43 2HG GLU 43 1.149 -12.973 2.542 361 HG3 GLU 43 1HG GLU 43 0.296 -12.765 4.070 362 H VAL 44 H VAL 44 3.136 -13.011 4.359 363 HA VAL 44 HA VAL 44 4.728 -13.124 1.868 364 HB VAL 44 HB VAL 44 6.298 -12.177 3.435 365 HG11 VAL 44 1HG1 VAL 44 5.235 -14.328 5.271 366 HG12 VAL 44 2HG1 VAL 44 5.351 -12.594 5.549 367 HG13 VAL 44 3HG1 VAL 44 6.808 -13.583 5.547 368 HG21 VAL 44 3HG2 VAL 44 6.873 -15.146 3.412 369 HG22 VAL 44 1HG2 VAL 44 8.025 -13.816 3.313 370 HG23 VAL 44 2HG2 VAL 44 6.965 -14.169 1.948 371 H ASP 45 H ASP 45 5.429 -15.252 1.320 372 HA ASP 45 HA ASP 45 4.420 -17.494 2.904 373 HB2 ASP 45 2HB ASP 45 2.544 -16.772 1.391 374 HB3 ASP 45 1HB ASP 45 3.582 -17.162 0.021 375 H LYS 46 H LYS 46 5.474 -19.418 2.476 376 HA LYS 46 HA LYS 46 8.085 -19.487 1.754 377 HB2 LYS 46 2HB LYS 46 6.003 -21.630 1.291 378 HB3 LYS 46 1HB LYS 46 7.738 -21.902 1.141 379 HG2 LYS 46 2HG LYS 46 8.065 -21.201 3.474 380 HG3 LYS 46 1HG LYS 46 6.336 -20.891 3.632 381 HD2 LYS 46 2HD LYS 46 5.861 -23.264 3.158 382 HD3 LYS 46 1HD LYS 46 7.589 -23.578 2.997 383 HE2 LYS 46 2HE LYS 46 7.948 -22.882 5.330 384 HE3 LYS 46 1HE LYS 46 6.228 -22.534 5.499 385 HZ1 LYS 46 3HZ LYS 46 5.795 -24.885 4.936 386 HZ2 LYS 46 1HZ LYS 46 6.671 -24.697 6.375 387 HZ3 LYS 46 2HZ LYS 46 7.468 -25.176 4.954 388 H ASP 47 H ASP 47 5.366 -19.286 -0.395 389 HA ASP 47 HA ASP 47 7.197 -19.028 -2.700 390 HB2 ASP 47 2HB ASP 47 4.666 -20.689 -2.646 391 HB3 ASP 47 1HB ASP 47 5.603 -20.315 -4.090 392 H VAL 48 H VAL 48 6.899 -16.799 -2.629 393 HA VAL 48 HA VAL 48 4.293 -15.878 -3.669 394 HB VAL 48 HB VAL 48 4.193 -15.345 -1.307 395 HG11 VAL 48 1HG1 VAL 48 6.720 -15.464 -1.009 396 HG12 VAL 48 2HG1 VAL 48 5.914 -14.153 -0.145 397 HG13 VAL 48 3HG1 VAL 48 6.782 -13.823 -1.643 398 HG21 VAL 48 3HG2 VAL 48 5.042 -12.805 -2.711 399 HG22 VAL 48 1HG2 VAL 48 3.799 -13.003 -1.476 400 HG23 VAL 48 2HG2 VAL 48 3.533 -13.631 -3.102 401 H THR 49 H THR 49 4.428 -13.829 -4.764 402 HA THR 49 HA THR 49 7.154 -13.203 -5.775 403 HB THR 49 HB THR 49 6.158 -12.727 -7.934 404 HG1 THR 49 HG1 THR 49 3.836 -13.481 -8.050 405 HG21 THR 49 3HG2 THR 49 5.375 -15.009 -8.532 406 HG22 THR 49 1HG2 THR 49 5.264 -15.396 -6.813 407 HG23 THR 49 2HG2 THR 49 6.832 -15.043 -7.538 408 H LEU 50 H LEU 50 7.738 -11.128 -5.817 409 HA LEU 50 HA LEU 50 6.808 -9.174 -4.202 410 HB2 LEU 50 2HB LEU 50 7.888 -7.522 -5.612 411 HB3 LEU 50 1HB LEU 50 8.859 -8.990 -5.583 412 HG LEU 50 HG LEU 50 6.907 -8.264 -7.799 413 HD11 LEU 50 1HD1 LEU 50 9.933 -8.187 -7.797 414 HD12 LEU 50 2HD1 LEU 50 8.907 -6.764 -7.629 415 HD13 LEU 50 3HD1 LEU 50 8.864 -7.711 -9.117 416 HD21 LEU 50 3HD2 LEU 50 7.090 -10.590 -7.922 417 HD22 LEU 50 1HD2 LEU 50 8.729 -10.608 -7.262 418 HD23 LEU 50 2HD2 LEU 50 8.446 -10.101 -8.928 419 H ASP 51 H ASP 51 5.357 -10.198 -7.171 420 HA ASP 51 HA ASP 51 3.761 -7.984 -7.794 421 HB2 ASP 51 2HB ASP 51 3.351 -10.945 -8.206 422 HB3 ASP 51 1HB ASP 51 2.239 -9.731 -8.838 423 H GLU 52 H GLU 52 3.201 -10.711 -5.608 424 HA GLU 52 HA GLU 52 0.548 -10.020 -4.896 425 HB2 GLU 52 2HB GLU 52 1.569 -12.248 -4.463 426 HB3 GLU 52 1HB GLU 52 2.598 -11.502 -3.240 427 HG2 GLU 52 2HG GLU 52 0.637 -10.804 -1.963 428 HG3 GLU 52 1HG GLU 52 -0.433 -11.445 -3.208 429 H LEU 53 H LEU 53 3.720 -9.013 -3.728 430 HA LEU 53 HA LEU 53 2.891 -7.757 -1.346 431 HB2 LEU 53 2HB LEU 53 5.268 -8.235 -1.925 432 HB3 LEU 53 1HB LEU 53 5.199 -6.947 -3.124 433 HG LEU 53 HG LEU 53 4.601 -5.336 -1.321 434 HD11 LEU 53 1HD1 LEU 53 3.635 -6.488 0.450 435 HD12 LEU 53 2HD1 LEU 53 5.278 -6.328 1.060 436 HD13 LEU 53 3HD1 LEU 53 4.757 -7.846 0.328 437 HD21 LEU 53 3HD2 LEU 53 7.150 -6.917 -0.884 438 HD22 LEU 53 1HD2 LEU 53 6.865 -5.270 -0.323 439 HD23 LEU 53 2HD2 LEU 53 6.932 -5.615 -2.051 440 H LEU 54 H LEU 54 3.199 -6.562 -4.676 441 HA LEU 54 HA LEU 54 2.418 -3.874 -4.031 442 HB2 LEU 54 2HB LEU 54 2.174 -5.290 -6.694 443 HB3 LEU 54 1HB LEU 54 2.249 -3.549 -6.416 444 HG LEU 54 HG LEU 54 4.441 -5.522 -5.725 445 HD11 LEU 54 1HD1 LEU 54 4.354 -3.418 -7.900 446 HD12 LEU 54 2HD1 LEU 54 4.074 -5.138 -8.173 447 HD13 LEU 54 3HD1 LEU 54 5.648 -4.581 -7.603 448 HD21 LEU 54 3HD2 LEU 54 4.116 -2.543 -5.357 449 HD22 LEU 54 1HD2 LEU 54 5.721 -3.246 -5.557 450 HD23 LEU 54 2HD2 LEU 54 4.709 -3.744 -4.208 451 H ASP 55 H ASP 55 0.658 -6.719 -5.190 452 HA ASP 55 HA ASP 55 -1.846 -5.466 -5.548 453 HB2 ASP 55 2HB ASP 55 -1.058 -8.325 -5.005 454 HB3 ASP 55 1HB ASP 55 -2.718 -7.836 -5.333 455 H VAL 56 H VAL 56 -0.478 -7.194 -2.737 456 HA VAL 56 HA VAL 56 -2.871 -6.967 -1.187 457 HB VAL 56 HB VAL 56 -1.110 -8.716 -0.841 458 HG11 VAL 56 1HG1 VAL 56 0.751 -6.997 -1.069 459 HG12 VAL 56 2HG1 VAL 56 0.946 -8.176 0.221 460 HG13 VAL 56 3HG1 VAL 56 0.407 -6.535 0.591 461 HG21 VAL 56 3HG2 VAL 56 -1.226 -8.632 1.633 462 HG22 VAL 56 1HG2 VAL 56 -2.783 -8.238 0.902 463 HG23 VAL 56 2HG2 VAL 56 -1.759 -6.953 1.542 464 H VAL 57 H VAL 57 0.146 -5.138 -1.383 465 HA VAL 57 HA VAL 57 -0.297 -3.432 0.808 466 HB VAL 57 HB VAL 57 1.240 -3.068 -1.769 467 HG11 VAL 57 1HG1 VAL 57 2.362 -1.169 -0.436 468 HG12 VAL 57 2HG1 VAL 57 0.933 -1.214 0.598 469 HG13 VAL 57 3HG1 VAL 57 0.771 -0.836 -1.117 470 HG21 VAL 57 3HG2 VAL 57 3.109 -3.731 -0.533 471 HG22 VAL 57 1HG2 VAL 57 1.853 -4.752 0.169 472 HG23 VAL 57 2HG2 VAL 57 2.382 -3.292 1.011 473 H LEU 58 H LEU 58 -1.094 -3.011 -2.652 474 HA LEU 58 HA LEU 58 -2.302 -0.470 -2.338 475 HB2 LEU 58 2HB LEU 58 -1.576 -1.606 -4.510 476 HB3 LEU 58 1HB LEU 58 -3.057 -2.558 -4.389 477 HG LEU 58 HG LEU 58 -4.192 -0.159 -4.061 478 HD11 LEU 58 1HD1 LEU 58 -3.058 1.576 -5.356 479 HD12 LEU 58 2HD1 LEU 58 -1.734 0.471 -5.720 480 HD13 LEU 58 3HD1 LEU 58 -1.989 1.025 -4.068 481 HD21 LEU 58 3HD2 LEU 58 -4.500 -0.049 -6.541 482 HD22 LEU 58 1HD2 LEU 58 -4.740 -1.672 -5.891 483 HD23 LEU 58 2HD2 LEU 58 -3.236 -1.265 -6.720 484 H ASP 59 H ASP 59 -3.757 -3.697 -2.666 485 HA ASP 59 HA ASP 59 -6.411 -3.026 -2.261 486 HB2 ASP 59 2HB ASP 59 -5.693 -5.289 -2.878 487 HB3 ASP 59 1HB ASP 59 -5.003 -5.518 -1.272 488 H ALA 60 H ALA 60 -3.879 -3.555 0.138 489 HA ALA 60 HA ALA 60 -5.500 -3.448 2.443 490 HB1 ALA 60 3HB ALA 60 -2.592 -2.753 1.996 491 HB2 ALA 60 1HB ALA 60 -3.246 -4.259 2.640 492 HB3 ALA 60 2HB ALA 60 -3.349 -2.775 3.589 493 H VAL 61 H VAL 61 -3.819 -0.926 0.586 494 HA VAL 61 HA VAL 61 -4.408 1.229 2.325 495 HB VAL 61 HB VAL 61 -3.885 1.157 -0.657 496 HG11 VAL 61 1HG1 VAL 61 -5.049 3.206 -0.296 497 HG12 VAL 61 2HG1 VAL 61 -3.340 3.638 -0.245 498 HG13 VAL 61 3HG1 VAL 61 -4.254 3.473 1.256 499 HG21 VAL 61 3HG2 VAL 61 -2.100 0.450 1.047 500 HG22 VAL 61 1HG2 VAL 61 -2.102 2.128 1.581 501 HG23 VAL 61 2HG2 VAL 61 -1.648 1.732 -0.075 502 H GLU 62 H GLU 62 -6.109 -0.021 -0.536 503 HA GLU 62 HA GLU 62 -8.193 1.911 -0.515 504 HB2 GLU 62 2HB GLU 62 -8.248 -0.912 -1.616 505 HB3 GLU 62 1HB GLU 62 -9.328 0.412 -2.061 506 HG2 GLU 62 2HG GLU 62 -7.388 1.714 -2.864 507 HG3 GLU 62 1HG GLU 62 -6.329 0.369 -2.447 508 H SER 63 H SER 63 -7.921 -1.358 0.815 509 HA SER 63 HA SER 63 -10.555 -1.603 1.763 510 HB2 SER 63 2HB SER 63 -9.244 -3.565 1.675 511 HB3 SER 63 1HB SER 63 -7.931 -2.827 2.589 512 HG SER 63 HG SER 63 -8.950 -3.269 4.384 513 H THR 64 H THR 64 -7.592 -0.462 3.400 514 HA THR 64 HA THR 64 -8.985 0.177 5.825 515 HB THR 64 HB THR 64 -6.841 1.292 6.437 516 HG1 THR 64 HG1 THR 64 -5.626 0.299 4.165 517 HG21 THR 64 3HG2 THR 64 -7.079 -1.078 6.896 518 HG22 THR 64 1HG2 THR 64 -5.445 -0.784 6.300 519 HG23 THR 64 2HG2 THR 64 -6.663 -1.480 5.229 520 H LEU 65 H LEU 65 -7.066 2.420 3.844 521 HA LEU 65 HA LEU 65 -9.163 4.476 4.257 522 HB2 LEU 65 2HB LEU 65 -6.190 4.764 3.757 523 HB3 LEU 65 1HB LEU 65 -7.324 6.105 3.894 524 HG LEU 65 HG LEU 65 -6.984 4.012 6.055 525 HD11 LEU 65 1HD1 LEU 65 -5.601 6.687 5.707 526 HD12 LEU 65 2HD1 LEU 65 -4.837 5.100 5.794 527 HD13 LEU 65 3HD1 LEU 65 -5.620 5.782 7.221 528 HD21 LEU 65 3HD2 LEU 65 -8.392 6.677 5.841 529 HD22 LEU 65 1HD2 LEU 65 -7.872 6.069 7.413 530 HD23 LEU 65 2HD2 LEU 65 -9.014 5.143 6.447 531 H SER 66 H SER 66 -10.418 4.600 2.541 532 HA SER 66 HA SER 66 -9.491 3.955 -0.116 533 HB2 SER 66 2HB SER 66 -11.991 4.110 1.159 534 HB3 SER 66 1HB SER 66 -12.037 5.371 -0.067 535 HG SER 66 HG SER 66 -12.575 3.610 -1.183 536 HA PRO 67 HA PRO 67 -10.089 8.792 -0.527 537 HB2 PRO 67 2HB PRO 67 -9.342 9.619 2.245 538 HB3 PRO 67 1HB PRO 67 -10.638 10.234 1.199 539 HG2 PRO 67 2HG PRO 67 -11.179 8.686 3.304 540 HG3 PRO 67 1HG PRO 67 -12.098 8.541 1.793 541 HD2 PRO 67 2HD PRO 67 -9.902 6.772 2.837 542 HD3 PRO 67 1HD PRO 67 -11.413 6.324 2.015 543 H CYS 68 H CYS 68 -8.341 9.677 -1.512 544 HA CYS 68 HA CYS 68 -5.691 9.486 -0.212 545 HB2 CYS 68 2HB CYS 68 -5.908 9.053 -3.176 546 HB3 CYS 68 1HB CYS 68 -4.661 8.514 -2.050 547 HG CYS 68 HG CYS 68 -5.898 6.371 -2.027 548 H LYS 69 H LYS 69 -7.370 10.795 -3.078 549 HA LYS 69 HA LYS 69 -5.646 13.036 -3.368 550 HB2 LYS 69 2HB LYS 69 -7.264 13.836 -4.975 551 HB3 LYS 69 1HB LYS 69 -7.076 12.098 -5.178 552 HG2 LYS 69 2HG LYS 69 -9.092 11.775 -3.704 553 HG3 LYS 69 1HG LYS 69 -9.337 13.520 -3.756 554 HD2 LYS 69 2HD LYS 69 -9.163 11.777 -6.230 555 HD3 LYS 69 1HD LYS 69 -10.682 12.230 -5.461 556 HE2 LYS 69 2HE LYS 69 -9.898 14.666 -5.715 557 HE3 LYS 69 1HE LYS 69 -8.664 14.033 -6.805 558 HZ1 LYS 69 3HZ LYS 69 -11.478 13.270 -7.187 559 HZ2 LYS 69 1HZ LYS 69 -10.224 13.349 -8.325 560 HZ3 LYS 69 2HZ LYS 69 -10.936 14.779 -7.747 561 H GLU 70 H GLU 70 -8.151 12.352 -1.174 562 HA GLU 70 HA GLU 70 -9.046 15.051 -0.747 563 HB2 GLU 70 2HB GLU 70 -9.338 12.540 0.919 564 HB3 GLU 70 1HB GLU 70 -10.137 14.071 1.275 565 HG2 GLU 70 2HG GLU 70 -10.444 12.544 -1.328 566 HG3 GLU 70 1HG GLU 70 -11.592 12.475 0.008 567 H HIS 71 H HIS 71 -6.098 14.032 -0.417 568 HA HIS 71 HA HIS 71 -5.606 15.464 2.139 569 HB2 HIS 71 2HB HIS 71 -4.191 13.023 1.046 570 HB3 HIS 71 1HB HIS 71 -3.623 13.974 2.418 571 HD1 HIS 71 HD1 HIS 71 -5.319 14.119 4.508 572 HD2 HIS 71 HD2 HIS 71 -6.173 11.172 1.686 573 HE1 HIS 71 HE1 HIS 71 -6.933 12.514 5.617 574 H ASP 72 H ASP 72 -5.177 17.424 1.136 575 HA ASP 72 HA ASP 72 -3.537 17.783 -1.123 576 HB2 ASP 72 2HB ASP 72 -5.080 19.500 -0.193 577 HB3 ASP 72 1HB ASP 72 -3.981 19.708 1.170 578 H VAL 73 H VAL 73 -2.806 17.519 2.307 579 HA VAL 73 HA VAL 73 -0.139 18.415 2.247 580 HB VAL 73 HB VAL 73 -1.488 16.382 4.041 581 HG11 VAL 73 1HG1 VAL 73 0.866 16.011 4.229 582 HG12 VAL 73 2HG1 VAL 73 0.424 17.029 5.599 583 HG13 VAL 73 3HG1 VAL 73 1.210 17.740 4.190 584 HG21 VAL 73 3HG2 VAL 73 -2.348 18.791 3.965 585 HG22 VAL 73 1HG2 VAL 73 -0.776 19.271 4.601 586 HG23 VAL 73 2HG2 VAL 73 -1.823 18.214 5.547 587 H ILE 74 H ILE 74 -1.526 15.165 1.839 588 HA ILE 74 HA ILE 74 1.039 13.919 1.359 589 HB ILE 74 HB ILE 74 -1.712 12.826 0.774 590 HG12 ILE 74 2HG1 ILE 74 -0.035 12.555 3.292 591 HG13 ILE 74 1HG1 ILE 74 -1.429 13.625 3.149 592 HG21 ILE 74 1HG2 ILE 74 0.978 11.542 1.344 593 HG22 ILE 74 2HG2 ILE 74 0.196 11.619 -0.233 594 HG23 ILE 74 3HG2 ILE 74 -0.527 10.672 1.065 595 HD11 ILE 74 3HD1 ILE 74 -1.378 10.607 3.016 596 HD12 ILE 74 1HD1 ILE 74 -2.754 11.546 2.432 597 HD13 ILE 74 2HD1 ILE 74 -2.280 11.634 4.129 598 H GLY 75 H GLY 75 -1.848 14.359 -0.679 599 HA2 GLY 75 2HA GLY 75 -2.092 14.372 -2.988 600 HA3 GLY 75 1HA GLY 75 -0.743 15.509 -2.914 601 H THR 76 H THR 76 -0.774 14.109 -5.149 602 HA THR 76 HA THR 76 0.464 12.700 -6.482 603 HB THR 76 HB THR 76 2.298 12.268 -4.123 604 HG1 THR 76 HG1 THR 76 1.777 14.531 -4.514 605 HG21 THR 76 3HG2 THR 76 2.728 10.931 -6.131 606 HG22 THR 76 1HG2 THR 76 3.992 12.143 -5.922 607 HG23 THR 76 2HG2 THR 76 2.721 12.391 -7.121 608 H LYS 77 H LYS 77 -0.575 11.642 -3.339 609 HA LYS 77 HA LYS 77 0.015 8.934 -3.401 610 HB2 LYS 77 2HB LYS 77 -1.336 10.643 -1.695 611 HB3 LYS 77 1HB LYS 77 -2.649 9.628 -2.275 612 HG2 LYS 77 2HG LYS 77 -1.030 7.654 -1.752 613 HG3 LYS 77 1HG LYS 77 -0.164 8.846 -0.781 614 HD2 LYS 77 2HD LYS 77 -2.310 9.315 0.434 615 HD3 LYS 77 1HD LYS 77 -3.041 7.974 -0.445 616 HE2 LYS 77 2HE LYS 77 -0.591 7.757 1.331 617 HE3 LYS 77 1HE LYS 77 -2.219 7.255 1.783 618 HZ1 LYS 77 3HZ LYS 77 -0.324 6.001 -0.034 619 HZ2 LYS 77 1HZ LYS 77 -1.951 5.962 -0.514 620 HZ3 LYS 77 2HZ LYS 77 -1.489 5.294 0.980 621 H VAL 78 H VAL 78 -3.092 10.421 -4.183 622 HA VAL 78 HA VAL 78 -4.336 8.224 -5.295 623 HB VAL 78 HB VAL 78 -5.211 10.617 -4.797 624 HG11 VAL 78 1HG1 VAL 78 -4.684 10.980 -7.757 625 HG12 VAL 78 2HG1 VAL 78 -3.588 11.608 -6.526 626 HG13 VAL 78 3HG1 VAL 78 -5.253 12.178 -6.597 627 HG21 VAL 78 3HG2 VAL 78 -7.016 10.290 -6.609 628 HG22 VAL 78 1HG2 VAL 78 -6.739 8.912 -5.541 629 HG23 VAL 78 2HG2 VAL 78 -6.059 8.919 -7.168 630 H CYS 79 H CYS 79 -2.010 10.410 -6.737 631 HA CYS 79 HA CYS 79 -2.307 9.517 -9.422 632 HB2 CYS 79 2HB CYS 79 -1.081 11.615 -8.318 633 HB3 CYS 79 1HB CYS 79 0.321 10.554 -8.428 634 HG CYS 79 HG CYS 79 0.375 10.957 -10.864 635 H ALA 80 H ALA 80 0.067 8.731 -6.875 636 HA ALA 80 HA ALA 80 1.460 6.769 -8.372 637 HB1 ALA 80 3HB ALA 80 2.347 6.076 -6.157 638 HB2 ALA 80 1HB ALA 80 1.191 7.157 -5.385 639 HB3 ALA 80 2HB ALA 80 2.459 7.814 -6.421 640 H LEU 81 H LEU 81 -1.254 6.588 -6.124 641 HA LEU 81 HA LEU 81 -1.438 3.782 -5.955 642 HB2 LEU 81 2HB LEU 81 -3.516 5.959 -5.652 643 HB3 LEU 81 1HB LEU 81 -3.821 4.265 -5.279 644 HG LEU 81 HG LEU 81 -1.554 5.843 -4.028 645 HD11 LEU 81 1HD1 LEU 81 -3.659 6.922 -3.430 646 HD12 LEU 81 2HD1 LEU 81 -3.048 6.025 -2.040 647 HD13 LEU 81 3HD1 LEU 81 -4.369 5.364 -3.007 648 HD21 LEU 81 3HD2 LEU 81 -1.996 3.980 -2.240 649 HD22 LEU 81 1HD2 LEU 81 -1.115 3.549 -3.700 650 HD23 LEU 81 2HD2 LEU 81 -2.825 3.141 -3.550 651 H LEU 82 H LEU 82 -2.902 6.143 -8.167 652 HA LEU 82 HA LEU 82 -4.534 4.310 -9.570 653 HB2 LEU 82 2HB LEU 82 -4.802 6.761 -9.741 654 HB3 LEU 82 1HB LEU 82 -3.250 6.869 -10.570 655 HG LEU 82 HG LEU 82 -4.128 5.434 -12.391 656 HD11 LEU 82 1HD1 LEU 82 -6.526 5.350 -10.573 657 HD12 LEU 82 2HD1 LEU 82 -5.783 4.051 -11.507 658 HD13 LEU 82 3HD1 LEU 82 -6.771 5.262 -12.318 659 HD21 LEU 82 3HD2 LEU 82 -5.831 7.103 -13.241 660 HD22 LEU 82 1HD2 LEU 82 -4.311 7.811 -12.702 661 HD23 LEU 82 2HD2 LEU 82 -5.739 7.895 -11.669 662 H ASP 83 H ASP 83 -1.210 5.454 -10.103 663 HA ASP 83 HA ASP 83 -0.725 4.120 -12.527 664 HB2 ASP 83 2HB ASP 83 0.749 5.849 -11.413 665 HB3 ASP 83 1HB ASP 83 1.317 4.563 -10.348 666 H ARG 84 H ARG 84 -0.207 3.044 -9.172 667 HA ARG 84 HA ARG 84 0.836 0.494 -9.847 668 HB2 ARG 84 2HB ARG 84 -0.503 1.552 -7.362 669 HB3 ARG 84 1HB ARG 84 0.128 -0.092 -7.480 670 HG2 ARG 84 2HG ARG 84 2.359 0.820 -8.056 671 HG3 ARG 84 1HG ARG 84 1.717 2.457 -7.892 672 HD2 ARG 84 2HD ARG 84 1.321 2.178 -5.559 673 HD3 ARG 84 1HD ARG 84 1.556 0.435 -5.654 674 HE ARG 84 HE ARG 84 3.874 0.779 -5.660 675 HH11 ARG 84 1HH2 ARG 84 2.121 3.742 -5.988 676 HH12 ARG 84 2HH2 ARG 84 3.502 4.748 -5.714 677 HH21 ARG 84 1HH1 ARG 84 5.689 2.092 -5.304 678 HH22 ARG 84 2HH1 ARG 84 5.521 3.816 -5.327 679 H LEU 85 H LEU 85 -2.439 1.696 -9.328 680 HA LEU 85 HA LEU 85 -3.769 -0.779 -9.226 681 HB2 LEU 85 2HB LEU 85 -4.889 1.308 -8.612 682 HB3 LEU 85 1HB LEU 85 -4.746 1.897 -10.265 683 HG LEU 85 HG LEU 85 -6.198 0.092 -11.072 684 HD11 LEU 85 1HD1 LEU 85 -7.401 -1.242 -9.152 685 HD12 LEU 85 2HD1 LEU 85 -5.958 -0.847 -8.218 686 HD13 LEU 85 3HD1 LEU 85 -5.817 -1.774 -9.710 687 HD21 LEU 85 3HD2 LEU 85 -8.287 0.764 -9.881 688 HD22 LEU 85 1HD2 LEU 85 -7.287 2.141 -10.340 689 HD23 LEU 85 2HD2 LEU 85 -7.300 1.577 -8.668 690 H ALA 86 H ALA 86 -2.750 1.242 -11.941 691 HA ALA 86 HA ALA 86 -4.125 -0.085 -13.991 692 HB1 ALA 86 3HB ALA 86 -1.407 1.245 -14.078 693 HB2 ALA 86 1HB ALA 86 -2.960 2.037 -14.347 694 HB3 ALA 86 2HB ALA 86 -2.382 0.822 -15.487 695 H GLY 87 H GLY 87 -1.346 -1.017 -12.136 696 HA2 GLY 87 2HA GLY 87 -1.420 -3.700 -12.833 697 HA3 GLY 87 1HA GLY 87 -0.279 -2.943 -13.939 698 H ASP 88 H ASP 88 1.289 -1.382 -12.745 699 HA ASP 88 HA ASP 88 1.994 -1.879 -10.047 700 HB2 ASP 88 2HB ASP 88 4.021 -3.219 -10.370 701 HB3 ASP 88 1HB ASP 88 2.600 -4.108 -10.917 702 H TYR 89 H TYR 89 4.490 -1.271 -9.784 703 HA TYR 89 HA TYR 89 5.445 0.651 -11.727 704 HB2 TYR 89 2HB TYR 89 3.742 1.958 -10.472 705 HB3 TYR 89 1HB TYR 89 4.624 1.626 -8.982 706 HD1 TYR 89 HD2 TYR 89 6.986 2.457 -8.721 707 HD2 TYR 89 HD1 TYR 89 4.497 3.613 -12.025 708 HE1 TYR 89 HE2 TYR 89 8.504 4.355 -9.198 709 HE2 TYR 89 HE1 TYR 89 6.016 5.515 -12.502 710 HH TYR 89 HH TYR 89 8.715 6.291 -10.351 711 H VAL 90 H VAL 90 5.789 0.262 -8.190 712 HA VAL 90 HA VAL 90 8.660 0.331 -8.401 713 HB VAL 90 HB VAL 90 7.271 1.291 -6.492 714 HG11 VAL 90 1HG1 VAL 90 6.454 -0.155 -4.794 715 HG12 VAL 90 2HG1 VAL 90 7.307 -1.548 -5.461 716 HG13 VAL 90 3HG1 VAL 90 5.909 -0.883 -6.305 717 HG21 VAL 90 3HG2 VAL 90 8.978 0.740 -4.829 718 HG22 VAL 90 1HG2 VAL 90 9.733 0.945 -6.409 719 HG23 VAL 90 2HG2 VAL 90 9.462 -0.673 -5.764 720 H TYR 91 H TYR 91 10.075 -1.323 -7.592 721 HA TYR 91 HA TYR 91 8.992 -4.051 -7.484 722 HB2 TYR 91 2HB TYR 91 10.919 -4.713 -9.090 723 HB3 TYR 91 1HB TYR 91 9.454 -4.013 -9.779 724 HD1 TYR 91 HD2 TYR 91 9.386 -1.512 -10.215 725 HD2 TYR 91 HD1 TYR 91 13.035 -3.630 -9.406 726 HE1 TYR 91 HE2 TYR 91 10.679 0.354 -11.189 727 HE2 TYR 91 HE1 TYR 91 14.326 -1.765 -10.400 728 HH TYR 91 HH TYR 91 13.404 1.138 -10.724 729 H LEU 92 H LEU 92 10.440 -5.591 -6.585 730 HA LEU 92 HA LEU 92 12.671 -4.404 -5.032 731 HB2 LEU 92 2HB LEU 92 11.990 -5.640 -3.113 732 HB3 LEU 92 1HB LEU 92 10.519 -4.921 -3.759 733 HG LEU 92 HG LEU 92 10.491 -7.262 -5.115 734 HD11 LEU 92 1HD1 LEU 92 11.432 -8.160 -2.382 735 HD12 LEU 92 2HD1 LEU 92 12.594 -7.921 -3.682 736 HD13 LEU 92 3HD1 LEU 92 11.297 -9.098 -3.873 737 HD21 LEU 92 3HD2 LEU 92 8.845 -8.041 -3.443 738 HD22 LEU 92 1HD2 LEU 92 8.652 -6.317 -3.756 739 HD23 LEU 92 2HD2 LEU 92 9.461 -6.861 -2.287 740 H PHE 93 H PHE 93 14.381 -5.826 -4.517 741 HA PHE 93 HA PHE 93 14.452 -8.443 -5.822 742 HB2 PHE 93 2HB PHE 93 16.502 -7.953 -7.076 743 HB3 PHE 93 1HB PHE 93 15.177 -6.925 -7.616 744 HD1 PHE 93 HD2 PHE 93 15.071 -4.535 -6.924 745 HD2 PHE 93 HD1 PHE 93 18.419 -7.037 -5.943 746 HE1 PHE 93 HE2 PHE 93 16.415 -2.527 -6.368 747 HE2 PHE 93 HE1 PHE 93 19.762 -5.028 -5.389 748 HZ PHE 93 HZ PHE 93 18.758 -2.772 -5.604 749 H ASP 94 H ASP 94 16.011 -9.813 -4.969 750 HA ASP 94 HA ASP 94 16.931 -9.099 -2.319 751 HB2 ASP 94 2HB ASP 94 17.230 -11.622 -3.961 752 HB3 ASP 94 1HB ASP 94 17.779 -11.447 -2.295 753 H GLU 95 H GLU 95 19.210 -9.694 -1.681 754 HA GLU 95 HA GLU 95 21.065 -8.064 -2.934 755 HB2 GLU 95 2HB GLU 95 21.541 -10.542 -1.260 756 HB3 GLU 95 1HB GLU 95 22.782 -9.361 -1.676 757 HG2 GLU 95 2HG GLU 95 21.481 -7.586 -0.564 758 HG3 GLU 95 1HG GLU 95 20.230 -8.758 -0.152 759 H GLY 96 H GLY 96 19.788 -10.942 -4.087 760 HA2 GLY 96 2HA GLY 96 22.151 -11.758 -5.619 761 HA3 GLY 96 1HA GLY 96 20.591 -12.577 -5.585 762 H GLY 97 H GLY 97 18.762 -11.417 -6.659 763 HA2 GLY 97 2HA GLY 97 18.820 -9.276 -8.313 764 HA3 GLY 97 1HA GLY 97 19.605 -10.516 -9.278 765 H ASP 98 H ASP 98 17.972 -12.634 -7.986 766 HA ASP 98 HA ASP 98 15.819 -12.655 -9.860 767 HB2 ASP 98 2HB ASP 98 16.621 -14.407 -7.541 768 HB3 ASP 98 1HB ASP 98 15.119 -14.688 -8.417 769 H GLU 99 H GLU 99 13.691 -12.162 -9.603 770 HA GLU 99 HA GLU 99 12.951 -10.476 -7.393 771 HB2 GLU 99 2HB GLU 99 11.380 -11.601 -9.720 772 HB3 GLU 99 1HB GLU 99 10.709 -10.487 -8.530 773 HG2 GLU 99 2HG GLU 99 12.382 -8.804 -9.103 774 HG3 GLU 99 1HG GLU 99 13.155 -9.921 -10.227 775 H VAL 100 H VAL 100 13.111 -11.782 -5.553 776 HA VAL 100 HA VAL 100 10.786 -13.503 -5.104 777 HB VAL 100 HB VAL 100 12.704 -14.954 -5.907 778 HG11 VAL 100 1HG1 VAL 100 14.421 -13.548 -4.612 779 HG12 VAL 100 2HG1 VAL 100 14.596 -15.298 -4.507 780 HG13 VAL 100 3HG1 VAL 100 13.868 -14.404 -3.171 781 HG21 VAL 100 3HG2 VAL 100 11.694 -15.378 -3.076 782 HG22 VAL 100 1HG2 VAL 100 12.333 -16.632 -4.137 783 HG23 VAL 100 2HG2 VAL 100 10.824 -15.815 -4.549 784 H ILE 101 H ILE 101 10.222 -13.722 -2.928 785 HA ILE 101 HA ILE 101 11.172 -11.568 -1.223 786 HB ILE 101 HB ILE 101 9.040 -13.684 -0.845 787 HG12 ILE 101 2HG1 ILE 101 7.542 -11.684 -1.055 788 HG13 ILE 101 1HG1 ILE 101 8.956 -10.705 -1.422 789 HG21 ILE 101 1HG2 ILE 101 8.382 -12.111 1.081 790 HG22 ILE 101 2HG2 ILE 101 10.010 -11.446 0.939 791 HG23 ILE 101 3HG2 ILE 101 9.786 -13.146 1.349 792 HD11 ILE 101 3HD1 ILE 101 7.483 -11.779 -3.365 793 HD12 ILE 101 1HD1 ILE 101 8.514 -13.176 -3.066 794 HD13 ILE 101 2HD1 ILE 101 9.232 -11.629 -3.525 795 H ALA 102 H ALA 102 12.635 -11.766 0.369 796 HA ALA 102 HA ALA 102 13.107 -14.377 1.604 797 HB1 ALA 102 3HB ALA 102 15.701 -13.225 1.002 798 HB2 ALA 102 1HB ALA 102 14.769 -13.390 -0.483 799 HB3 ALA 102 2HB ALA 102 15.064 -14.802 0.531 800 HA PRO 103 HA PRO 103 13.950 -12.367 5.442 801 HB2 PRO 103 2HB PRO 103 16.864 -13.066 5.136 802 HB3 PRO 103 1HB PRO 103 15.796 -13.298 6.535 803 HG2 PRO 103 2HG PRO 103 16.430 -15.333 4.937 804 HG3 PRO 103 1HG PRO 103 14.807 -15.181 5.632 805 HD2 PRO 103 2HD PRO 103 15.691 -14.736 2.817 806 HD3 PRO 103 1HD PRO 103 14.104 -15.234 3.447 807 H ARG 104 H ARG 104 16.595 -11.797 3.125 808 HA ARG 104 HA ARG 104 16.793 -8.972 4.004 809 HB2 ARG 104 2HB ARG 104 18.713 -10.780 2.525 810 HB3 ARG 104 1HB ARG 104 18.989 -9.062 2.819 811 HG2 ARG 104 2HG ARG 104 19.029 -9.361 5.180 812 HG3 ARG 104 1HG ARG 104 18.367 -10.991 5.058 813 HD2 ARG 104 2HD ARG 104 20.763 -11.103 5.482 814 HD3 ARG 104 1HD ARG 104 20.407 -11.723 3.876 815 HE ARG 104 HE ARG 104 21.513 -9.871 2.955 816 HH11 ARG 104 1HH2 ARG 104 21.107 -9.577 6.379 817 HH12 ARG 104 2HH2 ARG 104 22.195 -8.238 6.531 818 HH21 ARG 104 1HH1 ARG 104 22.946 -8.121 3.148 819 HH22 ARG 104 2HH1 ARG 104 23.234 -7.415 4.704 820 H MET 105 H MET 105 14.863 -8.464 2.756 821 HA MET 105 HA MET 105 15.243 -8.485 -0.179 822 HB2 MET 105 2HB MET 105 12.868 -8.168 -0.354 823 HB3 MET 105 1HB MET 105 13.133 -9.460 0.815 824 HG2 MET 105 2HG MET 105 12.972 -7.716 2.643 825 HG3 MET 105 1HG MET 105 12.475 -6.562 1.407 826 HE1 MET 105 3HE MET 105 10.771 -6.074 2.891 827 HE2 MET 105 1HE MET 105 10.202 -7.362 3.967 828 HE3 MET 105 2HE MET 105 9.144 -6.724 2.712 829 H TYR 106 H TYR 106 14.604 -6.543 -1.343 830 HA TYR 106 HA TYR 106 14.708 -4.035 0.189 831 HB2 TYR 106 2HB TYR 106 17.013 -4.300 -0.342 832 HB3 TYR 106 1HB TYR 106 16.653 -4.842 -1.980 833 HD1 TYR 106 HD1 TYR 106 16.071 -1.905 0.292 834 HD2 TYR 106 HD2 TYR 106 16.723 -3.283 -3.716 835 HE1 TYR 106 HE1 TYR 106 16.141 0.443 -0.506 836 HE2 TYR 106 HE2 TYR 106 16.797 -0.936 -4.528 837 HH TYR 106 HH TYR 106 17.421 1.469 -3.117 838 H CYS 107 H CYS 107 12.931 -3.009 -0.380 839 HA CYS 107 HA CYS 107 11.903 -3.297 -3.119 840 HB2 CYS 107 2HB CYS 107 9.761 -2.789 -2.323 841 HB3 CYS 107 1HB CYS 107 10.447 -3.797 -1.049 842 HG CYS 107 HG CYS 107 9.365 -1.226 -0.416 843 H SER 108 H SER 108 11.958 -1.723 -4.530 844 HA SER 108 HA SER 108 11.702 1.031 -3.869 845 HB2 SER 108 2HB SER 108 13.926 0.845 -2.916 846 HB3 SER 108 1HB SER 108 14.532 0.097 -4.392 847 HG SER 108 HG SER 108 13.320 2.661 -4.288 848 H PHE 109 H PHE 109 13.090 2.271 -5.870 849 HA PHE 109 HA PHE 109 11.846 1.116 -8.296 850 HB2 PHE 109 2HB PHE 109 11.151 3.417 -7.603 851 HB3 PHE 109 1HB PHE 109 12.818 3.947 -7.835 852 HD1 PHE 109 HD1 PHE 109 10.000 2.223 -9.591 853 HD2 PHE 109 HD2 PHE 109 13.561 4.594 -9.984 854 HE1 PHE 109 HE1 PHE 109 9.575 2.457 -12.020 855 HE2 PHE 109 HE2 PHE 109 13.135 4.830 -12.417 856 HZ PHE 109 HZ PHE 109 11.143 3.760 -13.434 857 H SER 110 H SER 110 14.472 0.384 -7.053 858 HA SER 110 HA SER 110 16.256 1.089 -9.317 859 HB2 SER 110 2HB SER 110 16.918 0.407 -6.446 860 HB3 SER 110 1HB SER 110 18.117 0.518 -7.733 861 HG SER 110 HG SER 110 17.456 2.675 -8.057 862 H ALA 111 H ALA 111 17.776 -0.582 -9.955 863 HA ALA 111 HA ALA 111 16.550 -3.263 -9.757 864 HB1 ALA 111 3HB ALA 111 17.284 -1.721 -11.999 865 HB2 ALA 111 1HB ALA 111 16.775 -3.409 -12.008 866 HB3 ALA 111 2HB ALA 111 18.489 -3.001 -11.918 867 HA PRO 112 HA PRO 112 20.035 -5.260 -7.947 868 HB2 PRO 112 2HB PRO 112 20.637 -6.699 -10.506 869 HB3 PRO 112 1HB PRO 112 20.370 -7.360 -8.879 870 HG2 PRO 112 2HG PRO 112 18.493 -7.539 -10.759 871 HG3 PRO 112 1HG PRO 112 18.071 -7.237 -9.064 872 HD2 PRO 112 2HD PRO 112 18.077 -5.326 -11.368 873 HD3 PRO 112 1HD PRO 112 17.006 -5.404 -9.954 874 H ASP 113 H ASP 113 20.705 -4.231 -11.280 875 HA ASP 113 HA ASP 113 23.448 -3.419 -10.473 876 HB2 ASP 113 2HB ASP 113 24.030 -3.630 -12.851 877 HB3 ASP 113 1HB ASP 113 23.423 -5.151 -12.203 878 H ASP 114 H ASP 114 21.197 -1.777 -9.937 879 HA ASP 114 HA ASP 114 20.464 0.132 -11.762 880 HB2 ASP 114 2HB ASP 114 19.716 0.018 -9.380 881 HB3 ASP 114 1HB ASP 114 21.262 0.714 -8.905 Start of MODEL 18 1 HA2 GLY 1 2HA GLY 1 -8.353 -39.772 15.078 2 HA3 GLY 1 1HA GLY 1 -9.006 -41.141 15.975 3 H LYS 2 H LYS 2 -10.406 -38.270 17.008 4 HA LYS 2 HA LYS 2 -12.987 -38.962 16.022 5 HB2 LYS 2 2HB LYS 2 -12.323 -37.602 18.129 6 HB3 LYS 2 1HB LYS 2 -12.296 -36.219 17.034 7 HG2 LYS 2 2HG LYS 2 -14.633 -36.995 16.273 8 HG3 LYS 2 1HG LYS 2 -14.622 -38.039 17.696 9 HD2 LYS 2 2HD LYS 2 -14.206 -35.046 17.737 10 HD3 LYS 2 1HD LYS 2 -15.714 -35.862 18.146 11 HE2 LYS 2 2HE LYS 2 -14.311 -37.188 19.862 12 HE3 LYS 2 1HE LYS 2 -13.078 -35.951 19.607 13 HZ1 LYS 2 3HZ LYS 2 -14.797 -34.271 20.143 14 HZ2 LYS 2 1HZ LYS 2 -14.429 -35.299 21.441 15 HZ3 LYS 2 2HZ LYS 2 -15.858 -35.532 20.556 16 H LYS 3 H LYS 3 -13.943 -38.455 14.147 17 HA LYS 3 HA LYS 3 -12.517 -36.872 12.186 18 HB2 LYS 3 2HB LYS 3 -15.179 -38.307 12.119 19 HB3 LYS 3 1HB LYS 3 -14.494 -37.442 10.743 20 HG2 LYS 3 2HG LYS 3 -12.507 -38.879 10.798 21 HG3 LYS 3 1HG LYS 3 -13.143 -39.727 12.209 22 HD2 LYS 3 2HD LYS 3 -15.125 -40.414 10.869 23 HD3 LYS 3 1HD LYS 3 -14.408 -39.638 9.456 24 HE2 LYS 3 2HE LYS 3 -13.053 -41.833 11.046 25 HE3 LYS 3 1HE LYS 3 -13.976 -42.112 9.570 26 HZ1 LYS 3 3HZ LYS 3 -11.565 -40.399 9.838 27 HZ2 LYS 3 1HZ LYS 3 -12.482 -40.569 8.421 28 HZ3 LYS 3 2HZ LYS 3 -11.648 -41.905 9.059 29 H VAL 4 H VAL 4 -12.522 -34.771 13.034 30 HA VAL 4 HA VAL 4 -15.045 -33.326 12.635 31 HB VAL 4 HB VAL 4 -14.473 -32.034 14.820 32 HG11 VAL 4 1HG1 VAL 4 -15.790 -33.653 16.148 33 HG12 VAL 4 2HG1 VAL 4 -15.514 -34.884 14.916 34 HG13 VAL 4 3HG1 VAL 4 -16.467 -33.450 14.532 35 HG21 VAL 4 3HG2 VAL 4 -13.208 -34.689 15.528 36 HG22 VAL 4 1HG2 VAL 4 -13.199 -33.193 16.460 37 HG23 VAL 4 2HG2 VAL 4 -12.241 -33.321 14.985 38 H GLU 5 H GLU 5 -14.780 -31.243 11.947 39 HA GLU 5 HA GLU 5 -12.422 -30.546 10.621 40 HB2 GLU 5 2HB GLU 5 -14.717 -28.830 11.586 41 HB3 GLU 5 1HB GLU 5 -13.428 -28.240 10.536 42 HG2 GLU 5 2HG GLU 5 -13.985 -29.943 8.860 43 HG3 GLU 5 1HG GLU 5 -15.245 -30.584 9.912 44 H PHE 6 H PHE 6 -12.953 -30.640 13.906 45 HA PHE 6 HA PHE 6 -11.872 -28.406 15.042 46 HB2 PHE 6 2HB PHE 6 -12.226 -31.144 15.803 47 HB3 PHE 6 1HB PHE 6 -10.604 -30.687 16.306 48 HD1 PHE 6 HD2 PHE 6 -10.615 -28.039 17.158 49 HD2 PHE 6 HD1 PHE 6 -13.813 -30.886 17.492 50 HE1 PHE 6 HE2 PHE 6 -11.546 -26.765 19.070 51 HE2 PHE 6 HE1 PHE 6 -14.748 -29.611 19.395 52 HZ PHE 6 HZ PHE 6 -13.616 -27.552 20.189 53 H ASN 7 H ASN 7 -9.945 -27.420 15.166 54 HA ASN 7 HA ASN 7 -7.409 -28.355 15.049 55 HB2 ASN 7 2HB ASN 7 -7.525 -29.465 12.992 56 HB3 ASN 7 1HB ASN 7 -8.616 -28.267 12.298 57 HD21 ASN 7 1HD2 ASN 7 -5.288 -28.338 13.694 58 HD22 ASN 7 2HD2 ASN 7 -4.612 -27.343 12.496 59 H ASP 8 H ASP 8 -9.672 -25.935 13.994 60 HA ASP 8 HA ASP 8 -9.543 -23.647 13.833 61 HB2 ASP 8 2HB ASP 8 -7.462 -24.222 15.939 62 HB3 ASP 8 1HB ASP 8 -7.917 -22.584 15.473 63 H LYS 9 H LYS 9 -8.117 -21.793 13.234 64 HA LYS 9 HA LYS 9 -6.400 -22.631 11.104 65 HB2 LYS 9 2HB LYS 9 -7.625 -20.103 12.010 66 HB3 LYS 9 1HB LYS 9 -6.049 -19.881 11.258 67 HG2 LYS 9 2HG LYS 9 -7.628 -19.752 9.485 68 HG3 LYS 9 1HG LYS 9 -6.895 -21.346 9.352 69 HD2 LYS 9 2HD LYS 9 -9.140 -21.946 9.206 70 HD3 LYS 9 1HD LYS 9 -8.923 -22.047 10.951 71 HE2 LYS 9 2HE LYS 9 -10.948 -20.764 10.415 72 HE3 LYS 9 1HE LYS 9 -9.750 -19.720 11.176 73 HZ1 LYS 9 3HZ LYS 9 -9.940 -18.416 9.411 74 HZ2 LYS 9 1HZ LYS 9 -10.879 -19.553 8.574 75 HZ3 LYS 9 2HZ LYS 9 -9.184 -19.630 8.494 76 HA PRO 10 HA PRO 10 -2.554 -22.342 13.175 77 HB2 PRO 10 2HB PRO 10 -0.852 -21.636 11.159 78 HB3 PRO 10 1HB PRO 10 -1.610 -23.237 11.260 79 HG2 PRO 10 2HG PRO 10 -2.359 -20.892 9.572 80 HG3 PRO 10 1HG PRO 10 -2.370 -22.620 9.173 81 HD2 PRO 10 2HD PRO 10 -4.632 -21.188 9.874 82 HD3 PRO 10 1HD PRO 10 -4.457 -22.946 10.070 83 H LYS 11 H LYS 11 -4.264 -19.741 12.679 84 HA LYS 11 HA LYS 11 -2.402 -17.598 12.513 85 HB2 LYS 11 2HB LYS 11 -4.824 -17.375 12.015 86 HB3 LYS 11 1HB LYS 11 -5.174 -17.605 13.727 87 HG2 LYS 11 2HG LYS 11 -3.859 -15.608 14.288 88 HG3 LYS 11 1HG LYS 11 -3.439 -15.393 12.589 89 HD2 LYS 11 2HD LYS 11 -5.825 -15.110 12.032 90 HD3 LYS 11 1HD LYS 11 -6.246 -15.316 13.731 91 HE2 LYS 11 2HE LYS 11 -4.911 -13.332 14.315 92 HE3 LYS 11 1HE LYS 11 -4.463 -13.128 12.622 93 HZ1 LYS 11 3HZ LYS 11 -7.107 -12.791 13.888 94 HZ2 LYS 11 1HZ LYS 11 -6.976 -13.096 12.224 95 HZ3 LYS 11 2HZ LYS 11 -6.256 -11.709 12.891 96 H VAL 12 H VAL 12 -4.134 -19.045 15.274 97 HA VAL 12 HA VAL 12 -2.498 -17.507 17.137 98 HB VAL 12 HB VAL 12 -4.966 -17.862 17.478 99 HG11 VAL 12 1HG1 VAL 12 -4.216 -20.658 18.341 100 HG12 VAL 12 2HG1 VAL 12 -4.763 -20.324 16.697 101 HG13 VAL 12 3HG1 VAL 12 -5.825 -19.988 18.063 102 HG21 VAL 12 3HG2 VAL 12 -3.518 -19.157 19.785 103 HG22 VAL 12 1HG2 VAL 12 -4.742 -17.896 19.804 104 HG23 VAL 12 2HG2 VAL 12 -3.091 -17.509 19.336 105 H ARG 13 H ARG 13 -1.516 -19.808 15.375 106 HA ARG 13 HA ARG 13 -0.093 -21.223 17.547 107 HB2 ARG 13 2HB ARG 13 -1.359 -22.534 15.133 108 HB3 ARG 13 1HB ARG 13 -0.295 -23.338 16.284 109 HG2 ARG 13 2HG ARG 13 -1.884 -22.791 18.111 110 HG3 ARG 13 1HG ARG 13 -2.963 -22.047 16.931 111 HD2 ARG 13 2HD ARG 13 -2.053 -24.933 16.842 112 HD3 ARG 13 1HD ARG 13 -3.595 -24.399 17.489 113 HE ARG 13 HE ARG 13 -4.296 -23.794 15.289 114 HH11 ARG 13 1HH2 ARG 13 -1.122 -25.181 15.442 115 HH12 ARG 13 2HH2 ARG 13 -1.050 -25.543 13.754 116 HH21 ARG 13 1HH1 ARG 13 -4.200 -24.269 13.069 117 HH22 ARG 13 2HH1 ARG 13 -2.788 -25.026 12.411 118 H LYS 14 H LYS 14 1.991 -21.916 17.015 119 HA LYS 14 HA LYS 14 3.503 -20.268 15.366 120 HB2 LYS 14 2HB LYS 14 4.045 -23.074 16.332 121 HB3 LYS 14 1HB LYS 14 5.255 -22.068 15.533 122 HG2 LYS 14 2HG LYS 14 4.855 -20.312 17.293 123 HG3 LYS 14 1HG LYS 14 3.819 -21.465 18.134 124 HD2 LYS 14 2HD LYS 14 6.698 -22.055 17.395 125 HD3 LYS 14 1HD LYS 14 6.218 -21.395 18.959 126 HE2 LYS 14 2HE LYS 14 4.615 -23.396 19.133 127 HE3 LYS 14 1HE LYS 14 5.498 -24.082 17.772 128 HZ1 LYS 14 3HZ LYS 14 6.332 -24.782 19.968 129 HZ2 LYS 14 1HZ LYS 14 6.776 -23.177 20.283 130 HZ3 LYS 14 2HZ LYS 14 7.508 -24.023 19.005 131 H ILE 15 H ILE 15 2.788 -20.041 13.310 132 HA ILE 15 HA ILE 15 1.748 -21.820 11.554 133 HB ILE 15 HB ILE 15 3.245 -20.421 9.787 134 HG12 ILE 15 2HG1 ILE 15 3.868 -18.257 10.713 135 HG13 ILE 15 1HG1 ILE 15 3.317 -18.736 12.310 136 HG21 ILE 15 1HG2 ILE 15 0.818 -20.259 10.024 137 HG22 ILE 15 2HG2 ILE 15 1.528 -18.646 9.919 138 HG23 ILE 15 3HG2 ILE 15 1.009 -19.282 11.479 139 HD11 ILE 15 3HD1 ILE 15 5.861 -18.930 11.752 140 HD12 ILE 15 1HD1 ILE 15 5.396 -20.381 10.866 141 HD13 ILE 15 2HD1 ILE 15 5.088 -20.262 12.600 142 HA PRO 16 HA PRO 16 4.767 -24.870 10.614 143 HB2 PRO 16 2HB PRO 16 4.267 -25.316 7.925 144 HB3 PRO 16 1HB PRO 16 3.235 -25.917 9.237 145 HG2 PRO 16 2HG PRO 16 2.887 -23.529 7.498 146 HG3 PRO 16 1HG PRO 16 1.678 -24.683 8.072 147 HD2 PRO 16 2HD PRO 16 1.985 -22.230 9.196 148 HD3 PRO 16 1HD PRO 16 1.467 -23.645 10.134 149 H SER 17 H SER 17 4.794 -23.585 7.369 150 HA SER 17 HA SER 17 7.606 -22.705 7.746 151 HB2 SER 17 2HB SER 17 7.946 -23.241 5.400 152 HB3 SER 17 1HB SER 17 7.306 -24.650 6.240 153 HG SER 17 HG SER 17 5.590 -24.541 5.035 154 H THR 18 H THR 18 4.550 -21.528 7.435 155 HA THR 18 HA THR 18 5.154 -19.349 5.590 156 HB THR 18 HB THR 18 2.881 -18.742 5.800 157 HG1 THR 18 HG1 THR 18 1.704 -20.035 7.558 158 HG21 THR 18 3HG2 THR 18 1.671 -20.890 5.515 159 HG22 THR 18 1HG2 THR 18 3.082 -21.750 6.121 160 HG23 THR 18 2HG2 THR 18 3.179 -20.856 4.606 161 H ARG 19 H ARG 19 4.645 -17.086 6.309 162 HA ARG 19 HA ARG 19 5.014 -16.488 9.127 163 HB2 ARG 19 2HB ARG 19 7.105 -15.278 8.870 164 HB3 ARG 19 1HB ARG 19 7.334 -16.952 8.363 165 HG2 ARG 19 2HG ARG 19 6.972 -16.241 5.996 166 HG3 ARG 19 1HG ARG 19 6.879 -14.567 6.541 167 HD2 ARG 19 2HD ARG 19 9.156 -14.798 7.527 168 HD3 ARG 19 1HD ARG 19 9.247 -16.423 6.854 169 HE ARG 19 HE ARG 19 9.515 -15.496 4.717 170 HH11 ARG 19 1HH2 ARG 19 8.704 -13.115 7.094 171 HH12 ARG 19 2HH2 ARG 19 9.068 -11.766 6.069 172 HH21 ARG 19 1HH1 ARG 19 9.993 -13.730 3.367 173 HH22 ARG 19 2HH1 ARG 19 9.796 -12.116 3.959 174 H LYS 20 H LYS 20 5.418 -13.969 9.294 175 HA LYS 20 HA LYS 20 3.599 -12.661 7.336 176 HB2 LYS 20 2HB LYS 20 4.021 -11.867 10.222 177 HB3 LYS 20 1HB LYS 20 2.795 -11.277 9.098 178 HG2 LYS 20 2HG LYS 20 1.770 -13.498 8.998 179 HG3 LYS 20 1HG LYS 20 3.028 -14.149 10.038 180 HD2 LYS 20 2HD LYS 20 1.223 -13.736 11.511 181 HD3 LYS 20 1HD LYS 20 2.307 -12.365 11.751 182 HE2 LYS 20 2HE LYS 20 0.942 -10.923 10.428 183 HE3 LYS 20 1HE LYS 20 0.012 -12.272 9.778 184 HZ1 LYS 20 3HZ LYS 20 -0.370 -12.602 12.387 185 HZ2 LYS 20 1HZ LYS 20 -1.405 -11.701 11.390 186 HZ3 LYS 20 2HZ LYS 20 -0.224 -10.910 12.319 187 H ILE 21 H ILE 21 4.203 -10.731 6.480 188 HA ILE 21 HA ILE 21 6.997 -9.902 6.958 189 HB ILE 21 HB ILE 21 6.194 -10.411 4.626 190 HG12 ILE 21 2HG1 ILE 21 7.119 -7.588 5.248 191 HG13 ILE 21 1HG1 ILE 21 8.152 -8.997 5.002 192 HG21 ILE 21 1HG2 ILE 21 3.916 -9.321 5.081 193 HG22 ILE 21 2HG2 ILE 21 4.664 -8.949 3.534 194 HG23 ILE 21 3HG2 ILE 21 4.728 -7.777 4.850 195 HD11 ILE 21 3HD1 ILE 21 8.136 -7.787 2.932 196 HD12 ILE 21 1HD1 ILE 21 6.378 -7.636 2.963 197 HD13 ILE 21 2HD1 ILE 21 7.125 -9.214 2.691 198 H LYS 22 H LYS 22 7.537 -7.875 7.629 199 HA LYS 22 HA LYS 22 5.342 -5.969 8.177 200 HB2 LYS 22 2HB LYS 22 6.220 -7.343 10.217 201 HB3 LYS 22 1HB LYS 22 7.639 -6.304 10.100 202 HG2 LYS 22 2HG LYS 22 6.247 -4.311 10.324 203 HG3 LYS 22 1HG LYS 22 4.787 -5.296 10.316 204 HD2 LYS 22 2HD LYS 22 5.498 -6.401 12.382 205 HD3 LYS 22 1HD LYS 22 6.986 -5.452 12.390 206 HE2 LYS 22 2HE LYS 22 5.677 -3.376 12.555 207 HE3 LYS 22 1HE LYS 22 4.178 -4.307 12.518 208 HZ1 LYS 22 3HZ LYS 22 6.181 -5.029 14.520 209 HZ2 LYS 22 1HZ LYS 22 4.488 -5.074 14.616 210 HZ3 LYS 22 2HZ LYS 22 5.307 -3.593 14.768 211 H ILE 23 H ILE 23 8.002 -6.483 6.439 212 HA ILE 23 HA ILE 23 9.015 -3.709 6.709 213 HB ILE 23 HB ILE 23 10.450 -5.974 5.335 214 HG12 ILE 23 2HG1 ILE 23 11.766 -5.756 7.712 215 HG13 ILE 23 1HG1 ILE 23 10.133 -5.385 8.264 216 HG21 ILE 23 1HG2 ILE 23 12.394 -4.563 5.699 217 HG22 ILE 23 2HG2 ILE 23 11.431 -3.417 6.633 218 HG23 ILE 23 3HG2 ILE 23 11.138 -3.614 4.904 219 HD11 ILE 23 3HD1 ILE 23 11.156 -7.895 6.948 220 HD12 ILE 23 1HD1 ILE 23 9.436 -7.504 6.924 221 HD13 ILE 23 2HD1 ILE 23 10.267 -7.727 8.461 222 H THR 24 H THR 24 8.578 -2.342 5.142 223 HA THR 24 HA THR 24 8.158 -3.357 2.403 224 HB THR 24 HB THR 24 6.168 -1.997 2.125 225 HG1 THR 24 HG1 THR 24 6.205 -1.461 4.883 226 HG21 THR 24 3HG2 THR 24 6.036 -4.338 3.106 227 HG22 THR 24 1HG2 THR 24 4.647 -3.302 3.428 228 HG23 THR 24 2HG2 THR 24 5.854 -3.572 4.685 229 H PHE 25 H PHE 25 8.715 -1.929 0.778 230 HA PHE 25 HA PHE 25 10.718 -0.017 1.394 231 HB2 PHE 25 2HB PHE 25 10.489 -1.308 -0.769 232 HB3 PHE 25 1HB PHE 25 9.167 -0.220 -1.193 233 HD1 PHE 25 HD2 PHE 25 9.583 2.210 -1.502 234 HD2 PHE 25 HD1 PHE 25 12.786 -0.565 -0.786 235 HE1 PHE 25 HE2 PHE 25 11.224 3.902 -2.275 236 HE2 PHE 25 HE1 PHE 25 14.424 1.129 -1.555 237 HZ PHE 25 HZ PHE 25 13.642 3.362 -2.300 238 H ALA 26 H ALA 26 10.636 2.164 1.628 239 HA ALA 26 HA ALA 26 8.031 3.526 1.234 240 HB1 ALA 26 3HB ALA 26 8.350 4.734 3.327 241 HB2 ALA 26 1HB ALA 26 9.868 3.885 3.614 242 HB3 ALA 26 2HB ALA 26 8.344 2.997 3.636 243 H LEU 27 H LEU 27 8.160 5.421 0.218 244 HA LEU 27 HA LEU 27 10.607 6.272 -0.957 245 HB2 LEU 27 2HB LEU 27 7.825 7.406 -0.816 246 HB3 LEU 27 1HB LEU 27 9.138 8.365 -1.505 247 HG LEU 27 HG LEU 27 9.636 6.554 -3.096 248 HD11 LEU 27 1HD1 LEU 27 9.015 4.588 -1.907 249 HD12 LEU 27 2HD1 LEU 27 7.862 4.699 -3.236 250 HD13 LEU 27 3HD1 LEU 27 7.384 5.187 -1.610 251 HD21 LEU 27 3HD2 LEU 27 7.885 8.341 -3.562 252 HD22 LEU 27 1HD2 LEU 27 6.665 7.146 -3.125 253 HD23 LEU 27 2HD2 LEU 27 7.719 6.864 -4.511 254 H ASP 28 H ASP 28 8.702 7.429 1.789 255 HA ASP 28 HA ASP 28 11.039 8.683 2.933 256 HB2 ASP 28 2HB ASP 28 10.021 10.361 1.264 257 HB3 ASP 28 1HB ASP 28 8.679 10.483 2.398 258 H ALA 29 H ALA 29 9.951 10.217 4.865 259 HA ALA 29 HA ALA 29 9.037 8.368 6.761 260 HB1 ALA 29 3HB ALA 29 8.491 10.382 8.133 261 HB2 ALA 29 1HB ALA 29 8.818 11.387 6.722 262 HB3 ALA 29 2HB ALA 29 10.113 10.430 7.443 263 H THR 30 H THR 30 7.249 10.791 4.874 264 HA THR 30 HA THR 30 4.710 10.306 5.997 265 HB THR 30 HB THR 30 3.914 11.753 4.381 266 HG1 THR 30 HG1 THR 30 5.585 11.391 2.315 267 HG21 THR 30 3HG2 THR 30 6.840 12.184 3.789 268 HG22 THR 30 1HG2 THR 30 6.149 12.595 5.359 269 HG23 THR 30 2HG2 THR 30 5.556 13.387 3.900 270 H PHE 31 H PHE 31 6.132 9.065 2.970 271 HA PHE 31 HA PHE 31 4.007 7.344 2.314 272 HB2 PHE 31 2HB PHE 31 6.942 7.164 1.616 273 HB3 PHE 31 1HB PHE 31 5.679 6.185 0.875 274 HD1 PHE 31 HD2 PHE 31 3.748 7.366 -0.296 275 HD2 PHE 31 HD1 PHE 31 7.364 9.366 0.853 276 HE1 PHE 31 HE2 PHE 31 3.238 9.205 -1.883 277 HE2 PHE 31 HE1 PHE 31 6.858 11.205 -0.726 278 HZ PHE 31 HZ PHE 31 4.790 11.125 -2.096 279 H ASP 32 H ASP 32 6.652 7.038 4.545 280 HA ASP 32 HA ASP 32 6.604 4.196 4.822 281 HB2 ASP 32 2HB ASP 32 8.505 5.645 5.527 282 HB3 ASP 32 1HB ASP 32 7.507 6.251 6.847 283 H SER 33 H SER 33 5.098 6.852 6.638 284 HA SER 33 HA SER 33 3.813 5.184 8.550 285 HB2 SER 33 2HB SER 33 3.008 7.955 7.656 286 HB3 SER 33 1HB SER 33 2.548 7.158 9.160 287 HG SER 33 HG SER 33 4.656 8.638 8.733 288 H VAL 34 H VAL 34 2.889 6.463 5.396 289 HA VAL 34 HA VAL 34 0.145 5.807 5.491 290 HB VAL 34 HB VAL 34 2.063 6.017 3.157 291 HG11 VAL 34 1HG1 VAL 34 -0.934 5.653 3.268 292 HG12 VAL 34 2HG1 VAL 34 0.240 4.701 2.362 293 HG13 VAL 34 3HG1 VAL 34 -0.127 6.353 1.868 294 HG21 VAL 34 3HG2 VAL 34 1.520 8.038 4.673 295 HG22 VAL 34 1HG2 VAL 34 -0.109 7.944 4.000 296 HG23 VAL 34 2HG2 VAL 34 1.268 8.233 2.941 297 H LEU 35 H LEU 35 2.918 3.986 4.176 298 HA LEU 35 HA LEU 35 1.396 1.706 3.440 299 HB2 LEU 35 2HB LEU 35 4.294 2.341 3.789 300 HB3 LEU 35 1HB LEU 35 3.851 0.638 3.741 301 HG LEU 35 HG LEU 35 4.413 1.641 1.485 302 HD11 LEU 35 1HD1 LEU 35 1.536 0.873 1.268 303 HD12 LEU 35 2HD1 LEU 35 2.564 -0.279 2.114 304 HD13 LEU 35 3HD1 LEU 35 2.947 0.197 0.465 305 HD21 LEU 35 3HD2 LEU 35 1.706 2.968 1.535 306 HD22 LEU 35 1HD2 LEU 35 3.097 3.314 0.516 307 HD23 LEU 35 2HD2 LEU 35 3.086 3.831 2.194 308 H SER 36 H SER 36 3.182 2.529 6.362 309 HA SER 36 HA SER 36 2.917 0.041 7.648 310 HB2 SER 36 2HB SER 36 3.446 1.242 9.692 311 HB3 SER 36 1HB SER 36 4.438 1.870 8.381 312 HG SER 36 HG SER 36 3.175 3.375 9.860 313 H LYS 37 H LYS 37 0.865 2.938 7.710 314 HA LYS 37 HA LYS 37 -1.057 1.781 9.501 315 HB2 LYS 37 2HB LYS 37 -1.250 4.200 7.690 316 HB3 LYS 37 1HB LYS 37 -2.397 3.787 8.960 317 HG2 LYS 37 2HG LYS 37 0.535 4.073 9.599 318 HG3 LYS 37 1HG LYS 37 -0.498 5.497 9.508 319 HD2 LYS 37 2HD LYS 37 -2.019 4.464 11.183 320 HD3 LYS 37 1HD LYS 37 -0.929 3.089 11.310 321 HE2 LYS 37 2HE LYS 37 0.892 4.598 12.018 322 HE3 LYS 37 1HE LYS 37 -0.222 5.963 11.934 323 HZ1 LYS 37 3HZ LYS 37 -1.110 5.422 13.881 324 HZ2 LYS 37 1HZ LYS 37 0.187 4.352 14.097 325 HZ3 LYS 37 2HZ LYS 37 -1.280 3.787 13.454 326 H ALA 38 H ALA 38 -0.588 1.837 6.074 327 HA ALA 38 HA ALA 38 -3.203 1.298 5.207 328 HB1 ALA 38 3HB ALA 38 -0.527 0.520 4.036 329 HB2 ALA 38 1HB ALA 38 -1.521 1.909 3.600 330 HB3 ALA 38 2HB ALA 38 -2.066 0.276 3.215 331 H CYS 39 H CYS 39 -0.765 -0.736 6.643 332 HA CYS 39 HA CYS 39 -2.683 -2.845 7.066 333 HB2 CYS 39 2HB CYS 39 -1.714 -4.549 5.763 334 HB3 CYS 39 1HB CYS 39 -1.747 -3.157 4.683 335 HG CYS 39 HG CYS 39 0.692 -4.461 4.914 336 H SER 40 H SER 40 0.619 -1.653 7.251 337 HA SER 40 HA SER 40 2.161 -1.752 8.955 338 HB2 SER 40 2HB SER 40 -0.064 -1.574 10.331 339 HB3 SER 40 1HB SER 40 0.230 -3.273 10.683 340 HG SER 40 HG SER 40 2.530 -2.124 11.002 341 H GLU 41 H GLU 41 0.237 -4.695 8.513 342 HA GLU 41 HA GLU 41 2.665 -6.238 8.098 343 HB2 GLU 41 2HB GLU 41 2.117 -7.909 9.814 344 HB3 GLU 41 1HB GLU 41 2.405 -6.329 10.545 345 HG2 GLU 41 2HG GLU 41 -0.053 -5.928 10.576 346 HG3 GLU 41 1HG GLU 41 -0.304 -7.547 9.930 347 H PHE 42 H PHE 42 2.336 -8.047 6.866 348 HA PHE 42 HA PHE 42 -0.472 -8.742 6.188 349 HB2 PHE 42 2HB PHE 42 0.480 -7.238 4.442 350 HB3 PHE 42 1HB PHE 42 1.767 -8.415 4.176 351 HD1 PHE 42 HD1 PHE 42 -1.951 -8.027 4.188 352 HD2 PHE 42 HD2 PHE 42 1.418 -10.279 2.761 353 HE1 PHE 42 HE1 PHE 42 -3.445 -9.315 2.690 354 HE2 PHE 42 HE2 PHE 42 -0.077 -11.564 1.259 355 HZ PHE 42 HZ PHE 42 -2.510 -11.082 1.221 356 H GLU 43 H GLU 43 -0.867 -10.873 6.031 357 HA GLU 43 HA GLU 43 1.071 -12.739 6.943 358 HB2 GLU 43 2HB GLU 43 -0.666 -14.438 6.312 359 HB3 GLU 43 1HB GLU 43 -1.266 -13.160 7.370 360 HG2 GLU 43 2HG GLU 43 -2.142 -11.953 5.388 361 HG3 GLU 43 1HG GLU 43 -1.580 -13.263 4.354 362 H VAL 44 H VAL 44 2.413 -14.078 5.864 363 HA VAL 44 HA VAL 44 2.298 -14.069 2.896 364 HB VAL 44 HB VAL 44 4.713 -13.951 4.712 365 HG11 VAL 44 1HG1 VAL 44 5.941 -13.954 2.460 366 HG12 VAL 44 2HG1 VAL 44 4.443 -14.576 1.767 367 HG13 VAL 44 3HG1 VAL 44 5.294 -15.504 3.000 368 HG21 VAL 44 3HG2 VAL 44 3.811 -11.767 4.317 369 HG22 VAL 44 1HG2 VAL 44 3.521 -12.122 2.612 370 HG23 VAL 44 2HG2 VAL 44 5.170 -11.945 3.207 371 H ASP 45 H ASP 45 2.367 -15.992 1.912 372 HA ASP 45 HA ASP 45 3.379 -18.352 3.279 373 HB2 ASP 45 2HB ASP 45 0.551 -18.518 2.268 374 HB3 ASP 45 1HB ASP 45 1.381 -19.545 3.437 375 H LYS 46 H LYS 46 3.312 -20.276 1.840 376 HA LYS 46 HA LYS 46 4.218 -19.592 -0.787 377 HB2 LYS 46 2HB LYS 46 3.437 -22.327 0.253 378 HB3 LYS 46 1HB LYS 46 4.528 -21.964 -1.085 379 HG2 LYS 46 2HG LYS 46 5.013 -21.142 1.793 380 HG3 LYS 46 1HG LYS 46 5.748 -22.544 1.019 381 HD2 LYS 46 2HD LYS 46 6.581 -20.876 -0.777 382 HD3 LYS 46 1HD LYS 46 6.166 -19.619 0.390 383 HE2 LYS 46 2HE LYS 46 7.618 -20.699 2.068 384 HE3 LYS 46 1HE LYS 46 8.060 -21.928 0.880 385 HZ1 LYS 46 3HZ LYS 46 9.669 -20.074 1.053 386 HZ2 LYS 46 1HZ LYS 46 8.470 -19.015 0.490 387 HZ3 LYS 46 2HZ LYS 46 9.028 -20.271 -0.509 388 H ASP 47 H ASP 47 2.715 -18.701 -2.096 389 HA ASP 47 HA ASP 47 0.974 -20.137 -3.615 390 HB2 ASP 47 2HB ASP 47 -0.376 -20.833 -1.775 391 HB3 ASP 47 1HB ASP 47 -0.371 -19.220 -1.068 392 H VAL 48 H VAL 48 0.976 -17.146 -1.683 393 HA VAL 48 HA VAL 48 0.028 -15.641 -4.041 394 HB VAL 48 HB VAL 48 -0.050 -13.756 -2.224 395 HG11 VAL 48 1HG1 VAL 48 -2.022 -14.912 -3.240 396 HG12 VAL 48 2HG1 VAL 48 -2.275 -14.472 -1.553 397 HG13 VAL 48 3HG1 VAL 48 -1.903 -16.140 -1.982 398 HG21 VAL 48 3HG2 VAL 48 -0.238 -14.549 0.058 399 HG22 VAL 48 1HG2 VAL 48 1.305 -15.107 -0.587 400 HG23 VAL 48 2HG2 VAL 48 -0.053 -16.222 -0.462 401 H THR 49 H THR 49 1.604 -14.978 -5.330 402 HA THR 49 HA THR 49 4.250 -14.352 -4.275 403 HB THR 49 HB THR 49 4.982 -14.331 -6.504 404 HG1 THR 49 HG1 THR 49 2.348 -13.582 -6.975 405 HG21 THR 49 3HG2 THR 49 4.199 -16.563 -5.709 406 HG22 THR 49 1HG2 THR 49 4.080 -16.387 -7.462 407 HG23 THR 49 2HG2 THR 49 2.635 -16.249 -6.460 408 H LEU 50 H LEU 50 5.299 -12.323 -5.274 409 HA LEU 50 HA LEU 50 4.317 -10.035 -4.148 410 HB2 LEU 50 2HB LEU 50 5.696 -8.775 -5.748 411 HB3 LEU 50 1HB LEU 50 6.551 -10.182 -5.125 412 HG LEU 50 HG LEU 50 5.271 -11.252 -7.354 413 HD11 LEU 50 1HD1 LEU 50 5.656 -9.680 -9.202 414 HD12 LEU 50 2HD1 LEU 50 6.204 -8.454 -8.062 415 HD13 LEU 50 3HD1 LEU 50 4.526 -8.986 -8.040 416 HD21 LEU 50 3HD2 LEU 50 7.505 -11.144 -8.417 417 HD22 LEU 50 1HD2 LEU 50 7.614 -11.612 -6.721 418 HD23 LEU 50 2HD2 LEU 50 8.017 -9.968 -7.210 419 H ASP 51 H ASP 51 3.340 -11.492 -7.187 420 HA ASP 51 HA ASP 51 1.976 -9.304 -8.322 421 HB2 ASP 51 2HB ASP 51 1.547 -12.289 -8.545 422 HB3 ASP 51 1HB ASP 51 0.632 -11.115 -9.490 423 H GLU 52 H GLU 52 0.733 -11.975 -6.299 424 HA GLU 52 HA GLU 52 -1.911 -10.965 -6.107 425 HB2 GLU 52 2HB GLU 52 -0.358 -12.848 -4.325 426 HB3 GLU 52 1HB GLU 52 -2.084 -12.528 -4.155 427 HG2 GLU 52 2HG GLU 52 -0.792 -13.542 -6.701 428 HG3 GLU 52 1HG GLU 52 -1.561 -14.587 -5.506 429 H LEU 53 H LEU 53 0.975 -10.575 -4.099 430 HA LEU 53 HA LEU 53 -0.253 -9.189 -1.978 431 HB2 LEU 53 2HB LEU 53 2.007 -10.136 -1.802 432 HB3 LEU 53 1HB LEU 53 2.589 -8.985 -3.005 433 HG LEU 53 HG LEU 53 1.953 -7.112 -1.503 434 HD11 LEU 53 1HD1 LEU 53 0.187 -7.812 -0.164 435 HD12 LEU 53 2HD1 LEU 53 1.520 -7.979 0.973 436 HD13 LEU 53 3HD1 LEU 53 0.893 -9.399 0.136 437 HD21 LEU 53 3HD2 LEU 53 4.222 -8.227 -1.412 438 HD22 LEU 53 1HD2 LEU 53 3.632 -9.144 -0.024 439 HD23 LEU 53 2HD2 LEU 53 3.744 -7.386 0.065 440 H LEU 54 H LEU 54 1.120 -8.118 -5.040 441 HA LEU 54 HA LEU 54 1.023 -5.348 -4.553 442 HB2 LEU 54 2HB LEU 54 2.285 -6.243 -6.434 443 HB3 LEU 54 1HB LEU 54 0.812 -6.890 -7.158 444 HG LEU 54 HG LEU 54 -0.078 -4.613 -7.441 445 HD11 LEU 54 1HD1 LEU 54 0.741 -3.331 -5.662 446 HD12 LEU 54 2HD1 LEU 54 1.727 -2.741 -6.997 447 HD13 LEU 54 3HD1 LEU 54 2.393 -3.913 -5.863 448 HD21 LEU 54 3HD2 LEU 54 1.229 -5.422 -9.284 449 HD22 LEU 54 1HD2 LEU 54 2.737 -5.049 -8.450 450 HD23 LEU 54 2HD2 LEU 54 1.694 -3.742 -9.013 451 H ASP 55 H ASP 55 -1.328 -7.585 -5.995 452 HA ASP 55 HA ASP 55 -3.287 -5.560 -6.524 453 HB2 ASP 55 2HB ASP 55 -3.427 -8.573 -6.365 454 HB3 ASP 55 1HB ASP 55 -4.827 -7.572 -6.747 455 H VAL 56 H VAL 56 -2.616 -7.718 -3.841 456 HA VAL 56 HA VAL 56 -5.059 -7.191 -2.439 457 HB VAL 56 HB VAL 56 -2.428 -8.397 -1.576 458 HG11 VAL 56 1HG1 VAL 56 -4.966 -7.852 -0.030 459 HG12 VAL 56 2HG1 VAL 56 -3.302 -7.506 0.437 460 HG13 VAL 56 3HG1 VAL 56 -3.883 -9.169 0.418 461 HG21 VAL 56 3HG2 VAL 56 -5.132 -9.730 -1.801 462 HG22 VAL 56 1HG2 VAL 56 -3.536 -10.476 -1.794 463 HG23 VAL 56 2HG2 VAL 56 -4.080 -9.570 -3.207 464 H VAL 57 H VAL 57 -1.692 -6.175 -1.846 465 HA VAL 57 HA VAL 57 -2.171 -4.465 0.287 466 HB VAL 57 HB VAL 57 0.083 -5.207 -0.614 467 HG11 VAL 57 1HG1 VAL 57 -0.195 -2.822 -2.451 468 HG12 VAL 57 2HG1 VAL 57 -0.553 -4.459 -2.981 469 HG13 VAL 57 3HG1 VAL 57 1.068 -4.051 -2.444 470 HG21 VAL 57 3HG2 VAL 57 1.174 -3.008 -0.057 471 HG22 VAL 57 1HG2 VAL 57 -0.033 -3.521 1.123 472 HG23 VAL 57 2HG2 VAL 57 -0.428 -2.272 -0.056 473 H LEU 58 H LEU 58 -2.195 -3.793 -3.226 474 HA LEU 58 HA LEU 58 -2.701 -1.021 -3.017 475 HB2 LEU 58 2HB LEU 58 -1.970 -2.144 -5.083 476 HB3 LEU 58 1HB LEU 58 -3.520 -2.976 -5.177 477 HG LEU 58 HG LEU 58 -3.785 -0.031 -4.860 478 HD11 LEU 58 1HD1 LEU 58 -2.524 -1.195 -7.358 479 HD12 LEU 58 2HD1 LEU 58 -1.794 -0.028 -6.258 480 HD13 LEU 58 3HD1 LEU 58 -3.190 0.432 -7.231 481 HD21 LEU 58 3HD2 LEU 58 -5.601 -1.737 -5.411 482 HD22 LEU 58 1HD2 LEU 58 -4.860 -1.882 -7.005 483 HD23 LEU 58 2HD2 LEU 58 -5.530 -0.338 -6.479 484 H ASP 59 H ASP 59 -4.971 -3.705 -3.666 485 HA ASP 59 HA ASP 59 -7.353 -2.283 -3.602 486 HB2 ASP 59 2HB ASP 59 -7.054 -4.737 -4.142 487 HB3 ASP 59 1HB ASP 59 -6.983 -5.034 -2.405 488 H ALA 60 H ALA 60 -5.514 -3.664 -0.893 489 HA ALA 60 HA ALA 60 -7.358 -2.968 1.143 490 HB1 ALA 60 3HB ALA 60 -5.732 -4.589 1.713 491 HB2 ALA 60 1HB ALA 60 -5.266 -3.154 2.629 492 HB3 ALA 60 2HB ALA 60 -4.404 -3.575 1.149 493 H VAL 61 H VAL 61 -4.572 -1.284 -0.250 494 HA VAL 61 HA VAL 61 -4.565 0.901 1.546 495 HB VAL 61 HB VAL 61 -3.579 0.624 -1.302 496 HG11 VAL 61 1HG1 VAL 61 -3.917 2.965 -1.028 497 HG12 VAL 61 2HG1 VAL 61 -2.214 2.709 -0.640 498 HG13 VAL 61 3HG1 VAL 61 -3.391 2.921 0.657 499 HG21 VAL 61 3HG2 VAL 61 -2.593 -0.557 0.950 500 HG22 VAL 61 1HG2 VAL 61 -1.758 0.994 1.043 501 HG23 VAL 61 2HG2 VAL 61 -1.564 -0.028 -0.378 502 H GLU 62 H GLU 62 -6.058 0.451 -1.643 503 HA GLU 62 HA GLU 62 -7.176 3.049 -1.813 504 HB2 GLU 62 2HB GLU 62 -6.871 1.520 -3.754 505 HB3 GLU 62 1HB GLU 62 -8.172 0.513 -3.121 506 HG2 GLU 62 2HG GLU 62 -9.738 2.394 -3.271 507 HG3 GLU 62 1HG GLU 62 -8.444 3.446 -3.841 508 H SER 63 H SER 63 -8.549 -0.066 -0.780 509 HA SER 63 HA SER 63 -11.139 0.922 -0.212 510 HB2 SER 63 2HB SER 63 -11.517 -1.170 0.881 511 HB3 SER 63 1HB SER 63 -10.456 -1.502 -0.485 512 HG SER 63 HG SER 63 -8.708 -1.177 1.130 513 H THR 64 H THR 64 -8.424 0.171 1.983 514 HA THR 64 HA THR 64 -9.683 1.205 4.299 515 HB THR 64 HB THR 64 -6.710 0.969 3.792 516 HG1 THR 64 HG1 THR 64 -7.947 -0.957 3.346 517 HG21 THR 64 3HG2 THR 64 -8.382 0.840 6.321 518 HG22 THR 64 1HG2 THR 64 -7.364 2.197 5.831 519 HG23 THR 64 2HG2 THR 64 -6.631 0.645 6.234 520 H LEU 65 H LEU 65 -6.735 2.543 2.806 521 HA LEU 65 HA LEU 65 -7.730 5.245 3.484 522 HB2 LEU 65 2HB LEU 65 -5.606 4.466 4.575 523 HB3 LEU 65 1HB LEU 65 -4.875 4.381 2.973 524 HG LEU 65 HG LEU 65 -5.468 6.804 2.638 525 HD11 LEU 65 1HD1 LEU 65 -5.816 7.956 5.021 526 HD12 LEU 65 2HD1 LEU 65 -6.540 6.401 5.420 527 HD13 LEU 65 3HD1 LEU 65 -7.187 7.364 4.097 528 HD21 LEU 65 3HD2 LEU 65 -3.787 6.337 5.111 529 HD22 LEU 65 1HD2 LEU 65 -3.623 7.639 3.933 530 HD23 LEU 65 2HD2 LEU 65 -3.229 5.982 3.478 531 H SER 66 H SER 66 -8.979 5.314 1.511 532 HA SER 66 HA SER 66 -7.611 5.183 -1.033 533 HB2 SER 66 2HB SER 66 -9.734 5.005 -1.827 534 HB3 SER 66 1HB SER 66 -10.292 5.098 -0.160 535 HG SER 66 HG SER 66 -10.574 6.881 -2.123 536 HA PRO 67 HA PRO 67 -8.342 9.984 -0.636 537 HB2 PRO 67 2HB PRO 67 -8.171 10.293 2.327 538 HB3 PRO 67 1HB PRO 67 -9.301 11.045 1.181 539 HG2 PRO 67 2HG PRO 67 -10.089 9.113 2.843 540 HG3 PRO 67 1HG PRO 67 -10.722 9.225 1.189 541 HD2 PRO 67 2HD PRO 67 -8.622 7.371 2.276 542 HD3 PRO 67 1HD PRO 67 -9.943 7.037 1.141 543 H CYS 68 H CYS 68 -6.412 10.709 -1.304 544 HA CYS 68 HA CYS 68 -4.123 10.642 0.575 545 HB2 CYS 68 2HB CYS 68 -2.923 10.307 -1.911 546 HB3 CYS 68 1HB CYS 68 -3.203 9.020 -0.743 547 HG CYS 68 HG CYS 68 -4.615 8.031 -2.518 548 H LYS 69 H LYS 69 -6.007 12.279 -1.766 549 HA LYS 69 HA LYS 69 -4.133 14.219 -2.626 550 HB2 LYS 69 2HB LYS 69 -6.092 15.500 -3.348 551 HB3 LYS 69 1HB LYS 69 -6.267 13.800 -3.784 552 HG2 LYS 69 2HG LYS 69 -7.633 13.442 -1.733 553 HG3 LYS 69 1HG LYS 69 -7.516 15.166 -1.378 554 HD2 LYS 69 2HD LYS 69 -8.578 15.665 -3.569 555 HD3 LYS 69 1HD LYS 69 -8.764 13.934 -3.849 556 HE2 LYS 69 2HE LYS 69 -9.938 15.451 -1.499 557 HE3 LYS 69 1HE LYS 69 -10.837 14.946 -2.929 558 HZ1 LYS 69 3HZ LYS 69 -10.039 13.414 -0.652 559 HZ2 LYS 69 1HZ LYS 69 -9.564 12.681 -2.107 560 HZ3 LYS 69 2HZ LYS 69 -11.199 13.060 -1.843 561 H GLU 70 H GLU 70 -5.849 13.771 0.321 562 HA GLU 70 HA GLU 70 -5.740 16.532 1.171 563 HB2 GLU 70 2HB GLU 70 -6.578 15.679 3.305 564 HB3 GLU 70 1HB GLU 70 -7.513 15.009 1.968 565 HG2 GLU 70 2HG GLU 70 -6.094 12.960 2.042 566 HG3 GLU 70 1HG GLU 70 -5.255 13.621 3.445 567 H HIS 71 H HIS 71 -3.226 15.187 0.374 568 HA HIS 71 HA HIS 71 -1.719 15.566 2.907 569 HB2 HIS 71 2HB HIS 71 -1.187 13.578 0.693 570 HB3 HIS 71 1HB HIS 71 -0.100 13.904 2.046 571 HD1 HIS 71 HD1 HIS 71 -3.340 12.243 1.189 572 HD2 HIS 71 HD2 HIS 71 -1.034 12.963 4.587 573 HE1 HIS 71 HE1 HIS 71 -4.302 10.792 3.028 574 H ASP 72 H ASP 72 0.511 16.263 2.599 575 HA ASP 72 HA ASP 72 0.657 18.338 0.570 576 HB2 ASP 72 2HB ASP 72 2.471 17.529 2.842 577 HB3 ASP 72 1HB ASP 72 2.865 18.821 1.708 578 H VAL 73 H VAL 73 2.980 15.833 1.603 579 HA VAL 73 HA VAL 73 4.275 15.889 -0.991 580 HB VAL 73 HB VAL 73 4.782 14.069 1.374 581 HG11 VAL 73 1HG1 VAL 73 5.708 13.226 -0.727 582 HG12 VAL 73 2HG1 VAL 73 7.011 13.834 0.293 583 HG13 VAL 73 3HG1 VAL 73 6.432 14.798 -1.064 584 HG21 VAL 73 3HG2 VAL 73 5.994 16.734 0.582 585 HG22 VAL 73 1HG2 VAL 73 6.657 15.674 1.824 586 HG23 VAL 73 2HG2 VAL 73 5.063 16.396 2.041 587 H ILE 74 H ILE 74 2.453 13.526 0.927 588 HA ILE 74 HA ILE 74 2.515 11.443 -1.003 589 HB ILE 74 HB ILE 74 0.348 11.861 1.047 590 HG12 ILE 74 2HG1 ILE 74 2.919 10.363 1.580 591 HG13 ILE 74 1HG1 ILE 74 2.830 12.087 1.901 592 HG21 ILE 74 1HG2 ILE 74 0.425 9.370 1.076 593 HG22 ILE 74 2HG2 ILE 74 1.613 9.424 -0.224 594 HG23 ILE 74 3HG2 ILE 74 -0.024 10.027 -0.496 595 HD11 ILE 74 3HD1 ILE 74 0.593 10.433 2.967 596 HD12 ILE 74 1HD1 ILE 74 1.390 11.850 3.652 597 HD13 ILE 74 2HD1 ILE 74 2.166 10.271 3.746 598 H GLY 75 H GLY 75 0.793 14.382 -0.851 599 HA2 GLY 75 2HA GLY 75 -1.650 13.882 -2.029 600 HA3 GLY 75 1HA GLY 75 -0.694 15.329 -2.342 601 H THR 76 H THR 76 1.513 13.518 -3.402 602 HA THR 76 HA THR 76 0.599 13.519 -6.156 603 HB THR 76 HB THR 76 3.258 12.598 -5.053 604 HG1 THR 76 HG1 THR 76 3.871 14.646 -5.100 605 HG21 THR 76 3HG2 THR 76 3.969 13.311 -7.388 606 HG22 THR 76 1HG2 THR 76 2.256 13.416 -7.787 607 HG23 THR 76 2HG2 THR 76 2.958 11.868 -7.312 608 H LYS 77 H LYS 77 0.671 11.310 -3.595 609 HA LYS 77 HA LYS 77 1.215 8.866 -4.800 610 HB2 LYS 77 2HB LYS 77 0.881 9.061 -2.400 611 HB3 LYS 77 1HB LYS 77 -0.808 9.507 -2.637 612 HG2 LYS 77 2HG LYS 77 -1.263 7.322 -3.640 613 HG3 LYS 77 1HG LYS 77 0.438 6.888 -3.484 614 HD2 LYS 77 2HD LYS 77 0.259 7.095 -1.033 615 HD3 LYS 77 1HD LYS 77 -1.445 7.521 -1.204 616 HE2 LYS 77 2HE LYS 77 -1.898 5.339 -2.243 617 HE3 LYS 77 1HE LYS 77 -0.194 4.910 -2.115 618 HZ1 LYS 77 3HZ LYS 77 -0.640 5.536 0.383 619 HZ2 LYS 77 1HZ LYS 77 -0.969 3.981 -0.210 620 HZ3 LYS 77 2HZ LYS 77 -2.230 5.104 -0.026 621 H VAL 78 H VAL 78 -1.684 10.860 -4.901 622 HA VAL 78 HA VAL 78 -3.481 8.981 -5.959 623 HB VAL 78 HB VAL 78 -3.275 11.973 -6.337 624 HG11 VAL 78 1HG1 VAL 78 -4.582 11.236 -8.183 625 HG12 VAL 78 2HG1 VAL 78 -5.762 11.694 -6.953 626 HG13 VAL 78 3HG1 VAL 78 -5.377 9.991 -7.220 627 HG21 VAL 78 3HG2 VAL 78 -5.293 10.438 -4.701 628 HG22 VAL 78 1HG2 VAL 78 -4.822 12.132 -4.563 629 HG23 VAL 78 2HG2 VAL 78 -3.716 10.866 -4.034 630 H CYS 79 H CYS 79 -1.323 11.287 -7.633 631 HA CYS 79 HA CYS 79 -2.012 10.534 -10.265 632 HB2 CYS 79 2HB CYS 79 0.565 11.679 -9.164 633 HB3 CYS 79 1HB CYS 79 0.178 11.556 -10.879 634 HG CYS 79 HG CYS 79 -1.126 13.526 -8.883 635 H ALA 80 H ALA 80 0.426 9.322 -7.998 636 HA ALA 80 HA ALA 80 1.697 7.534 -9.812 637 HB1 ALA 80 3HB ALA 80 2.598 8.318 -7.573 638 HB2 ALA 80 1HB ALA 80 2.754 6.588 -7.888 639 HB3 ALA 80 2HB ALA 80 1.482 7.180 -6.818 640 H LEU 81 H LEU 81 -1.086 7.235 -7.661 641 HA LEU 81 HA LEU 81 -1.393 4.461 -7.795 642 HB2 LEU 81 2HB LEU 81 -2.669 6.364 -6.401 643 HB3 LEU 81 1HB LEU 81 -3.827 6.238 -7.720 644 HG LEU 81 HG LEU 81 -4.494 4.705 -5.956 645 HD11 LEU 81 1HD1 LEU 81 -3.185 2.971 -8.050 646 HD12 LEU 81 2HD1 LEU 81 -4.551 4.012 -8.456 647 HD13 LEU 81 3HD1 LEU 81 -4.739 2.741 -7.254 648 HD21 LEU 81 3HD2 LEU 81 -1.791 4.485 -5.390 649 HD22 LEU 81 1HD2 LEU 81 -2.114 2.936 -6.170 650 HD23 LEU 81 2HD2 LEU 81 -3.033 3.420 -4.749 651 H LEU 82 H LEU 82 -2.871 7.016 -9.782 652 HA LEU 82 HA LEU 82 -4.269 5.257 -11.510 653 HB2 LEU 82 2HB LEU 82 -3.353 8.112 -11.659 654 HB3 LEU 82 1HB LEU 82 -3.977 7.354 -13.121 655 HG LEU 82 HG LEU 82 -5.724 8.560 -11.747 656 HD11 LEU 82 1HD1 LEU 82 -7.336 7.053 -12.401 657 HD12 LEU 82 2HD1 LEU 82 -6.529 5.678 -11.659 658 HD13 LEU 82 3HD1 LEU 82 -5.982 6.284 -13.221 659 HD21 LEU 82 3HD2 LEU 82 -5.524 6.236 -9.823 660 HD22 LEU 82 1HD2 LEU 82 -6.361 7.771 -9.610 661 HD23 LEU 82 2HD2 LEU 82 -4.607 7.709 -9.553 662 H ASP 83 H ASP 83 -1.029 6.651 -11.675 663 HA ASP 83 HA ASP 83 -0.355 5.705 -14.244 664 HB2 ASP 83 2HB ASP 83 0.990 7.372 -13.041 665 HB3 ASP 83 1HB ASP 83 1.431 6.158 -11.841 666 H ARG 84 H ARG 84 0.124 4.258 -11.021 667 HA ARG 84 HA ARG 84 1.372 1.890 -11.949 668 HB2 ARG 84 2HB ARG 84 -0.101 2.542 -9.399 669 HB3 ARG 84 1HB ARG 84 0.677 0.984 -9.688 670 HG2 ARG 84 2HG ARG 84 2.829 2.150 -10.089 671 HG3 ARG 84 1HG ARG 84 2.042 3.688 -9.749 672 HD2 ARG 84 2HD ARG 84 2.070 1.395 -7.784 673 HD3 ARG 84 1HD ARG 84 3.296 2.659 -7.795 674 HE ARG 84 HE ARG 84 0.737 3.860 -7.730 675 HH11 ARG 84 1HH2 ARG 84 2.895 1.950 -5.815 676 HH12 ARG 84 2HH2 ARG 84 2.313 2.561 -4.302 677 HH21 ARG 84 1HH1 ARG 84 -0.028 4.666 -5.750 678 HH22 ARG 84 2HH1 ARG 84 0.658 4.099 -4.266 679 H LEU 85 H LEU 85 -1.987 2.729 -11.257 680 HA LEU 85 HA LEU 85 -3.050 0.140 -11.658 681 HB2 LEU 85 2HB LEU 85 -4.145 2.229 -10.563 682 HB3 LEU 85 1HB LEU 85 -4.579 2.678 -12.212 683 HG LEU 85 HG LEU 85 -5.453 0.163 -12.334 684 HD11 LEU 85 1HD1 LEU 85 -6.362 -0.574 -10.154 685 HD12 LEU 85 2HD1 LEU 85 -5.585 0.799 -9.370 686 HD13 LEU 85 3HD1 LEU 85 -4.605 -0.466 -10.101 687 HD21 LEU 85 3HD2 LEU 85 -6.824 2.491 -10.975 688 HD22 LEU 85 1HD2 LEU 85 -7.671 0.999 -11.384 689 HD23 LEU 85 2HD2 LEU 85 -6.958 1.987 -12.660 690 H ALA 86 H ALA 86 -1.971 2.596 -13.817 691 HA ALA 86 HA ALA 86 -3.507 2.078 -16.096 692 HB1 ALA 86 3HB ALA 86 -1.793 3.178 -17.331 693 HB2 ALA 86 1HB ALA 86 -0.561 2.743 -16.146 694 HB3 ALA 86 2HB ALA 86 -1.797 3.934 -15.738 695 H GLY 87 H GLY 87 -0.582 0.481 -14.889 696 HA2 GLY 87 2HA GLY 87 -1.005 -2.063 -15.618 697 HA3 GLY 87 1HA GLY 87 -0.502 -1.354 -17.152 698 H ASP 88 H ASP 88 1.348 0.535 -16.058 699 HA ASP 88 HA ASP 88 3.614 -1.247 -15.669 700 HB2 ASP 88 2HB ASP 88 3.363 1.749 -15.982 701 HB3 ASP 88 1HB ASP 88 4.899 0.933 -15.696 702 H TYR 89 H TYR 89 4.156 -1.940 -13.708 703 HA TYR 89 HA TYR 89 3.921 -0.071 -11.414 704 HB2 TYR 89 2HB TYR 89 3.144 -1.855 -10.002 705 HB3 TYR 89 1HB TYR 89 2.097 -1.801 -11.419 706 HD1 TYR 89 HD2 TYR 89 2.513 -3.426 -13.320 707 HD2 TYR 89 HD1 TYR 89 4.448 -3.780 -9.509 708 HE1 TYR 89 HE2 TYR 89 3.089 -5.782 -13.831 709 HE2 TYR 89 HE1 TYR 89 5.031 -6.128 -10.016 710 HH TYR 89 HH TYR 89 3.800 -7.988 -11.767 711 H VAL 90 H VAL 90 5.564 -0.144 -9.941 712 HA VAL 90 HA VAL 90 8.120 -0.822 -10.739 713 HB VAL 90 HB VAL 90 8.660 -0.772 -8.253 714 HG11 VAL 90 1HG1 VAL 90 8.857 1.260 -9.508 715 HG12 VAL 90 2HG1 VAL 90 7.930 1.667 -8.063 716 HG13 VAL 90 3HG1 VAL 90 7.107 1.444 -9.607 717 HG21 VAL 90 3HG2 VAL 90 6.365 -1.616 -7.601 718 HG22 VAL 90 1HG2 VAL 90 5.732 -0.030 -8.038 719 HG23 VAL 90 2HG2 VAL 90 6.895 -0.182 -6.721 720 H TYR 91 H TYR 91 9.437 -2.581 -10.537 721 HA TYR 91 HA TYR 91 8.113 -5.139 -10.081 722 HB2 TYR 91 2HB TYR 91 10.973 -4.563 -10.890 723 HB3 TYR 91 1HB TYR 91 10.151 -6.120 -10.963 724 HD1 TYR 91 HD2 TYR 91 7.926 -6.200 -12.347 725 HD2 TYR 91 HD1 TYR 91 10.912 -3.139 -12.756 726 HE1 TYR 91 HE2 TYR 91 7.040 -5.634 -14.593 727 HE2 TYR 91 HE1 TYR 91 10.021 -2.568 -14.996 728 HH TYR 91 HH TYR 91 8.110 -4.510 -16.761 729 H LEU 92 H LEU 92 8.813 -6.693 -8.589 730 HA LEU 92 HA LEU 92 10.542 -5.686 -6.399 731 HB2 LEU 92 2HB LEU 92 8.214 -5.568 -5.699 732 HB3 LEU 92 1HB LEU 92 7.966 -7.254 -6.149 733 HG LEU 92 HG LEU 92 10.283 -6.804 -4.319 734 HD11 LEU 92 1HD1 LEU 92 7.440 -6.392 -3.347 735 HD12 LEU 92 2HD1 LEU 92 8.693 -5.156 -3.420 736 HD13 LEU 92 3HD1 LEU 92 8.869 -6.523 -2.324 737 HD21 LEU 92 3HD2 LEU 92 7.909 -8.648 -3.965 738 HD22 LEU 92 1HD2 LEU 92 9.561 -8.873 -3.395 739 HD23 LEU 92 2HD2 LEU 92 9.192 -9.024 -5.110 740 H PHE 93 H PHE 93 12.187 -6.970 -5.918 741 HA PHE 93 HA PHE 93 11.949 -9.874 -6.280 742 HB2 PHE 93 2HB PHE 93 14.109 -9.950 -7.537 743 HB3 PHE 93 1HB PHE 93 12.797 -9.195 -8.444 744 HD1 PHE 93 HD2 PHE 93 12.676 -6.713 -8.639 745 HD2 PHE 93 HD1 PHE 93 16.032 -8.694 -6.846 746 HE1 PHE 93 HE2 PHE 93 14.023 -4.642 -8.868 747 HE2 PHE 93 HE1 PHE 93 17.378 -6.630 -7.066 748 HZ PHE 93 HZ PHE 93 16.380 -4.605 -8.086 749 H ASP 94 H ASP 94 13.490 -11.067 -5.100 750 HA ASP 94 HA ASP 94 14.417 -9.718 -2.729 751 HB2 ASP 94 2HB ASP 94 15.103 -11.940 -1.990 752 HB3 ASP 94 1HB ASP 94 13.466 -11.992 -2.639 753 H GLU 95 H GLU 95 16.722 -10.571 -1.950 754 HA GLU 95 HA GLU 95 18.625 -9.238 -3.584 755 HB2 GLU 95 2HB GLU 95 18.977 -11.076 -1.203 756 HB3 GLU 95 1HB GLU 95 20.283 -10.149 -1.944 757 HG2 GLU 95 2HG GLU 95 17.735 -8.915 -0.868 758 HG3 GLU 95 1HG GLU 95 19.240 -9.019 0.045 759 H GLY 96 H GLY 96 17.210 -11.578 -4.805 760 HA2 GLY 96 2HA GLY 96 19.617 -13.055 -5.700 761 HA3 GLY 96 1HA GLY 96 18.095 -13.878 -5.364 762 H GLY 97 H GLY 97 16.259 -13.431 -6.717 763 HA2 GLY 97 2HA GLY 97 16.128 -11.739 -8.899 764 HA3 GLY 97 1HA GLY 97 16.946 -13.187 -9.480 765 H ASP 98 H ASP 98 15.440 -14.867 -7.517 766 HA ASP 98 HA ASP 98 13.224 -15.510 -9.214 767 HB2 ASP 98 2HB ASP 98 14.113 -16.520 -6.510 768 HB3 ASP 98 1HB ASP 98 12.688 -17.138 -7.343 769 H GLU 99 H GLU 99 11.059 -15.154 -8.920 770 HA GLU 99 HA GLU 99 10.289 -12.880 -7.375 771 HB2 GLU 99 2HB GLU 99 8.671 -14.955 -8.871 772 HB3 GLU 99 1HB GLU 99 7.974 -13.523 -8.112 773 HG2 GLU 99 2HG GLU 99 9.355 -12.068 -9.504 774 HG3 GLU 99 1HG GLU 99 10.163 -13.464 -10.208 775 H VAL 100 H VAL 100 10.796 -13.366 -5.213 776 HA VAL 100 HA VAL 100 8.756 -14.970 -3.853 777 HB VAL 100 HB VAL 100 11.720 -15.436 -3.487 778 HG11 VAL 100 1HG1 VAL 100 10.684 -15.611 -1.341 779 HG12 VAL 100 2HG1 VAL 100 10.818 -17.266 -1.937 780 HG13 VAL 100 3HG1 VAL 100 9.271 -16.424 -2.013 781 HG21 VAL 100 3HG2 VAL 100 10.967 -16.599 -5.447 782 HG22 VAL 100 1HG2 VAL 100 9.465 -17.084 -4.660 783 HG23 VAL 100 2HG2 VAL 100 10.996 -17.797 -4.153 784 H ILE 101 H ILE 101 8.170 -14.118 -1.933 785 HA ILE 101 HA ILE 101 9.227 -11.532 -1.217 786 HB ILE 101 HB ILE 101 7.308 -13.168 0.444 787 HG12 ILE 101 2HG1 ILE 101 6.440 -13.320 -1.805 788 HG13 ILE 101 1HG1 ILE 101 5.511 -12.080 -0.964 789 HG21 ILE 101 1HG2 ILE 101 8.168 -10.998 1.322 790 HG22 ILE 101 2HG2 ILE 101 6.432 -10.950 1.015 791 HG23 ILE 101 3HG2 ILE 101 7.550 -10.197 -0.123 792 HD11 ILE 101 3HD1 ILE 101 7.721 -11.691 -2.989 793 HD12 ILE 101 1HD1 ILE 101 7.165 -10.384 -1.945 794 HD13 ILE 101 2HD1 ILE 101 6.052 -11.141 -3.080 795 H ALA 102 H ALA 102 10.713 -11.062 0.275 796 HA ALA 102 HA ALA 102 11.351 -13.056 2.326 797 HB1 ALA 102 3HB ALA 102 12.980 -12.610 0.055 798 HB2 ALA 102 1HB ALA 102 13.406 -13.539 1.489 799 HB3 ALA 102 2HB ALA 102 13.817 -11.828 1.390 800 HA PRO 103 HA PRO 103 11.831 -9.830 5.262 801 HB2 PRO 103 2HB PRO 103 14.765 -10.419 5.487 802 HB3 PRO 103 1HB PRO 103 13.530 -10.344 6.759 803 HG2 PRO 103 2HG PRO 103 14.481 -12.678 5.882 804 HG3 PRO 103 1HG PRO 103 12.780 -12.483 6.347 805 HD2 PRO 103 2HD PRO 103 13.971 -12.706 3.612 806 HD3 PRO 103 1HD PRO 103 12.388 -13.240 4.216 807 H ARG 104 H ARG 104 14.448 -9.970 2.866 808 HA ARG 104 HA ARG 104 14.383 -7.005 2.690 809 HB2 ARG 104 2HB ARG 104 16.802 -8.818 2.614 810 HB3 ARG 104 1HB ARG 104 16.821 -7.105 2.193 811 HG2 ARG 104 2HG ARG 104 16.100 -6.485 4.421 812 HG3 ARG 104 1HG ARG 104 15.873 -8.177 4.863 813 HD2 ARG 104 2HD ARG 104 18.002 -7.353 5.743 814 HD3 ARG 104 1HD ARG 104 18.283 -8.585 4.518 815 HE ARG 104 HE ARG 104 19.193 -6.938 3.121 816 HH11 ARG 104 1HH2 ARG 104 17.688 -5.582 5.925 817 HH12 ARG 104 2HH2 ARG 104 18.336 -3.996 5.677 818 HH21 ARG 104 1HH1 ARG 104 20.046 -4.862 2.787 819 HH22 ARG 104 2HH1 ARG 104 19.672 -3.587 3.899 820 H MET 105 H MET 105 13.816 -6.345 0.736 821 HA MET 105 HA MET 105 14.791 -7.699 -1.648 822 HB2 MET 105 2HB MET 105 12.551 -8.019 -2.606 823 HB3 MET 105 1HB MET 105 12.735 -8.957 -1.125 824 HG2 MET 105 2HG MET 105 11.449 -6.208 -1.222 825 HG3 MET 105 1HG MET 105 10.554 -7.718 -1.278 826 HE1 MET 105 3HE MET 105 10.735 -5.101 0.698 827 HE2 MET 105 1HE MET 105 10.407 -5.784 2.299 828 HE3 MET 105 2HE MET 105 9.409 -6.238 0.920 829 H TYR 106 H TYR 106 14.682 -6.412 -3.506 830 HA TYR 106 HA TYR 106 14.431 -3.557 -2.956 831 HB2 TYR 106 2HB TYR 106 16.347 -4.590 -4.256 832 HB3 TYR 106 1HB TYR 106 15.191 -4.880 -5.555 833 HD1 TYR 106 HD1 TYR 106 16.380 -2.140 -3.289 834 HD2 TYR 106 HD2 TYR 106 14.815 -3.191 -7.148 835 HE1 TYR 106 HE1 TYR 106 16.648 0.206 -4.040 836 HE2 TYR 106 HE2 TYR 106 15.095 -0.855 -7.903 837 HH TYR 106 HH TYR 106 15.296 1.349 -7.013 838 H CYS 107 H CYS 107 12.775 -2.314 -3.558 839 HA CYS 107 HA CYS 107 10.796 -3.406 -5.485 840 HB2 CYS 107 2HB CYS 107 10.114 -3.378 -3.002 841 HB3 CYS 107 1HB CYS 107 10.040 -1.627 -3.178 842 HG CYS 107 HG CYS 107 7.722 -2.218 -3.964 843 H SER 108 H SER 108 11.068 -2.238 -7.276 844 HA SER 108 HA SER 108 10.377 0.499 -7.367 845 HB2 SER 108 2HB SER 108 12.332 1.627 -7.136 846 HB3 SER 108 1HB SER 108 13.031 0.127 -6.540 847 HG SER 108 HG SER 108 13.697 1.407 -8.694 848 H PHE 109 H PHE 109 11.216 1.454 -9.608 849 HA PHE 109 HA PHE 109 10.204 -0.287 -11.625 850 HB2 PHE 109 2HB PHE 109 10.658 1.527 -13.158 851 HB3 PHE 109 1HB PHE 109 9.994 2.201 -11.673 852 HD1 PHE 109 HD2 PHE 109 11.417 3.421 -10.088 853 HD2 PHE 109 HD1 PHE 109 12.999 1.845 -13.755 854 HE1 PHE 109 HE2 PHE 109 13.448 4.818 -9.812 855 HE2 PHE 109 HE1 PHE 109 15.030 3.241 -13.480 856 HZ PHE 109 HZ PHE 109 15.255 4.726 -11.508 857 H SER 110 H SER 110 13.445 0.811 -10.721 858 HA SER 110 HA SER 110 14.888 -0.223 -12.877 859 HB2 SER 110 2HB SER 110 15.755 1.248 -11.001 860 HB3 SER 110 1HB SER 110 15.856 -0.209 -10.021 861 HG SER 110 HG SER 110 16.963 -0.242 -12.584 862 H ALA 111 H ALA 111 15.994 -2.170 -13.186 863 HA ALA 111 HA ALA 111 14.669 -4.464 -11.967 864 HB1 ALA 111 3HB ALA 111 15.631 -3.899 -14.558 865 HB2 ALA 111 1HB ALA 111 14.935 -5.417 -14.008 866 HB3 ALA 111 2HB ALA 111 16.681 -5.175 -13.952 867 HA PRO 112 HA PRO 112 17.883 -6.037 -9.414 868 HB2 PRO 112 2HB PRO 112 18.377 -8.288 -11.332 869 HB3 PRO 112 1HB PRO 112 18.018 -8.350 -9.593 870 HG2 PRO 112 2HG PRO 112 16.169 -8.967 -11.409 871 HG3 PRO 112 1HG PRO 112 15.749 -8.103 -9.918 872 HD2 PRO 112 2HD PRO 112 15.969 -7.050 -12.710 873 HD3 PRO 112 1HD PRO 112 14.891 -6.557 -11.385 874 H ASP 113 H ASP 113 18.709 -6.220 -12.870 875 HA ASP 113 HA ASP 113 21.500 -6.245 -12.582 876 HB2 ASP 113 2HB ASP 113 19.614 -5.474 -14.776 877 HB3 ASP 113 1HB ASP 113 21.323 -5.092 -14.960 878 H ASP 114 H ASP 114 19.281 -3.548 -13.040 879 HA ASP 114 HA ASP 114 19.531 -1.277 -12.704 880 HB2 ASP 114 2HB ASP 114 19.861 -2.204 -10.372 881 HB3 ASP 114 1HB ASP 114 21.599 -2.093 -10.658 Start of MODEL 19 1 HA2 GLY 1 2HA GLY 1 7.723 -39.941 36.482 2 HA3 GLY 1 1HA GLY 1 6.771 -39.935 37.967 3 H LYS 2 H LYS 2 8.007 -37.319 35.883 4 HA LYS 2 HA LYS 2 5.531 -35.861 36.085 5 HB2 LYS 2 2HB LYS 2 8.058 -35.401 34.519 6 HB3 LYS 2 1HB LYS 2 6.658 -34.325 34.438 7 HG2 LYS 2 2HG LYS 2 6.769 -33.949 36.851 8 HG3 LYS 2 1HG LYS 2 8.095 -35.097 36.993 9 HD2 LYS 2 2HD LYS 2 9.142 -32.977 36.938 10 HD3 LYS 2 1HD LYS 2 9.351 -33.633 35.318 11 HE2 LYS 2 2HE LYS 2 7.647 -32.239 34.414 12 HE3 LYS 2 1HE LYS 2 7.026 -31.822 36.010 13 HZ1 LYS 2 3HZ LYS 2 9.601 -31.040 36.160 14 HZ2 LYS 2 1HZ LYS 2 8.301 -30.017 35.785 15 HZ3 LYS 2 2HZ LYS 2 9.232 -30.697 34.537 16 H LYS 3 H LYS 3 4.119 -35.341 34.362 17 HA LYS 3 HA LYS 3 3.898 -37.458 32.341 18 HB2 LYS 3 2HB LYS 3 2.013 -35.246 33.185 19 HB3 LYS 3 1HB LYS 3 1.669 -36.415 31.907 20 HG2 LYS 3 2HG LYS 3 1.937 -38.262 33.522 21 HG3 LYS 3 1HG LYS 3 2.276 -37.094 34.800 22 HD2 LYS 3 2HD LYS 3 0.053 -36.108 34.528 23 HD3 LYS 3 1HD LYS 3 -0.292 -37.205 33.191 24 HE2 LYS 3 2HE LYS 3 -1.311 -38.086 35.223 25 HE3 LYS 3 1HE LYS 3 0.027 -39.134 34.746 26 HZ1 LYS 3 3HZ LYS 3 -0.111 -37.196 36.959 27 HZ2 LYS 3 1HZ LYS 3 1.391 -37.614 36.294 28 HZ3 LYS 3 2HZ LYS 3 0.405 -38.814 36.979 29 H VAL 4 H VAL 4 5.340 -34.486 32.594 30 HA VAL 4 HA VAL 4 6.106 -32.929 31.097 31 HB VAL 4 HB VAL 4 5.716 -34.954 28.899 32 HG11 VAL 4 1HG1 VAL 4 6.784 -32.625 28.610 33 HG12 VAL 4 2HG1 VAL 4 7.724 -34.003 28.034 34 HG13 VAL 4 3HG1 VAL 4 8.121 -33.243 29.577 35 HG21 VAL 4 3HG2 VAL 4 7.958 -35.904 29.736 36 HG22 VAL 4 1HG2 VAL 4 6.520 -36.355 30.651 37 HG23 VAL 4 2HG2 VAL 4 7.599 -35.101 31.268 38 H GLU 5 H GLU 5 3.128 -33.379 31.475 39 HA GLU 5 HA GLU 5 1.933 -32.647 28.961 40 HB2 GLU 5 2HB GLU 5 -0.125 -32.386 30.289 41 HB3 GLU 5 1HB GLU 5 0.669 -33.920 30.644 42 HG2 GLU 5 2HG GLU 5 1.750 -32.866 32.626 43 HG3 GLU 5 1HG GLU 5 0.861 -31.382 32.298 44 H PHE 6 H PHE 6 4.057 -30.926 29.675 45 HA PHE 6 HA PHE 6 2.665 -28.403 30.335 46 HB2 PHE 6 2HB PHE 6 5.549 -29.257 30.555 47 HB3 PHE 6 1HB PHE 6 5.033 -27.583 30.699 48 HD1 PHE 6 HD2 PHE 6 3.566 -26.860 32.558 49 HD2 PHE 6 HD1 PHE 6 5.058 -30.877 32.265 50 HE1 PHE 6 HE2 PHE 6 2.952 -27.260 34.927 51 HE2 PHE 6 HE1 PHE 6 4.444 -31.278 34.632 52 HZ PHE 6 HZ PHE 6 3.391 -29.469 35.965 53 H ASN 7 H ASN 7 4.517 -26.640 29.291 54 HA ASN 7 HA ASN 7 5.028 -25.501 27.371 55 HB2 ASN 7 2HB ASN 7 5.112 -28.217 26.044 56 HB3 ASN 7 1HB ASN 7 5.919 -26.744 25.519 57 HD21 ASN 7 1HD2 ASN 7 6.930 -25.846 28.044 58 HD22 ASN 7 2HD2 ASN 7 8.088 -26.961 28.581 59 H ASP 8 H ASP 8 3.904 -24.489 25.772 60 HA ASP 8 HA ASP 8 1.157 -25.436 25.308 61 HB2 ASP 8 2HB ASP 8 0.745 -23.179 24.458 62 HB3 ASP 8 1HB ASP 8 1.470 -23.112 26.063 63 H LYS 9 H LYS 9 1.712 -27.129 23.832 64 HA LYS 9 HA LYS 9 2.315 -26.107 21.133 65 HB2 LYS 9 2HB LYS 9 3.612 -28.170 20.681 66 HB3 LYS 9 1HB LYS 9 4.349 -27.147 21.916 67 HG2 LYS 9 2HG LYS 9 3.294 -28.553 23.674 68 HG3 LYS 9 1HG LYS 9 2.633 -29.599 22.416 69 HD2 LYS 9 2HD LYS 9 5.030 -29.901 21.592 70 HD3 LYS 9 1HD LYS 9 5.543 -29.134 23.096 71 HE2 LYS 9 2HE LYS 9 5.545 -31.573 23.355 72 HE3 LYS 9 1HE LYS 9 4.301 -30.854 24.379 73 HZ1 LYS 9 3HZ LYS 9 3.279 -31.399 21.793 74 HZ2 LYS 9 1HZ LYS 9 2.740 -31.968 23.297 75 HZ3 LYS 9 2HZ LYS 9 3.957 -32.806 22.459 76 HA PRO 10 HA PRO 10 -1.322 -28.404 20.057 77 HB2 PRO 10 2HB PRO 10 -0.936 -28.723 17.366 78 HB3 PRO 10 1HB PRO 10 -1.398 -27.176 18.100 79 HG2 PRO 10 2HG PRO 10 1.297 -28.124 17.231 80 HG3 PRO 10 1HG PRO 10 0.547 -26.526 17.038 81 HD2 PRO 10 2HD PRO 10 2.388 -27.057 18.991 82 HD3 PRO 10 1HD PRO 10 1.080 -25.863 19.196 83 H LYS 11 H LYS 11 1.484 -29.650 18.299 84 HA LYS 11 HA LYS 11 1.399 -32.195 19.559 85 HB2 LYS 11 2HB LYS 11 -0.547 -31.970 17.642 86 HB3 LYS 11 1HB LYS 11 0.778 -32.596 16.673 87 HG2 LYS 11 2HG LYS 11 1.041 -34.494 18.201 88 HG3 LYS 11 1HG LYS 11 -0.210 -33.841 19.258 89 HD2 LYS 11 2HD LYS 11 -1.836 -33.993 17.374 90 HD3 LYS 11 1HD LYS 11 -0.583 -34.769 16.404 91 HE2 LYS 11 2HE LYS 11 -1.550 -35.804 19.079 92 HE3 LYS 11 1HE LYS 11 -2.105 -36.411 17.522 93 HZ1 LYS 11 3HZ LYS 11 -0.397 -37.831 17.840 94 HZ2 LYS 11 1HZ LYS 11 0.460 -36.771 18.851 95 HZ3 LYS 11 2HZ LYS 11 0.509 -36.562 17.164 96 H VAL 12 H VAL 12 2.500 -33.743 17.477 97 HA VAL 12 HA VAL 12 5.212 -32.950 17.589 98 HB VAL 12 HB VAL 12 3.831 -34.943 15.775 99 HG11 VAL 12 1HG1 VAL 12 6.744 -34.360 16.341 100 HG12 VAL 12 2HG1 VAL 12 5.936 -34.423 14.775 101 HG13 VAL 12 3HG1 VAL 12 6.202 -35.907 15.692 102 HG21 VAL 12 3HG2 VAL 12 5.412 -35.354 18.331 103 HG22 VAL 12 1HG2 VAL 12 4.563 -36.592 17.404 104 HG23 VAL 12 2HG2 VAL 12 3.650 -35.340 18.248 105 H ARG 13 H ARG 13 2.937 -33.046 14.831 106 HA ARG 13 HA ARG 13 4.448 -32.051 12.813 107 HB2 ARG 13 2HB ARG 13 2.028 -32.604 12.633 108 HB3 ARG 13 1HB ARG 13 1.645 -31.087 13.448 109 HG2 ARG 13 2HG ARG 13 2.810 -29.841 11.636 110 HG3 ARG 13 1HG ARG 13 3.122 -31.368 10.812 111 HD2 ARG 13 2HD ARG 13 0.361 -30.346 11.524 112 HD3 ARG 13 1HD ARG 13 1.107 -30.163 9.940 113 HE ARG 13 HE ARG 13 -0.010 -32.595 11.056 114 HH11 ARG 13 1HH2 ARG 13 2.180 -31.162 8.790 115 HH12 ARG 13 2HH2 ARG 13 2.168 -32.518 7.711 116 HH21 ARG 13 1HH1 ARG 13 -0.030 -34.377 9.643 117 HH22 ARG 13 2HH1 ARG 13 0.917 -34.338 8.195 118 H LYS 14 H LYS 14 5.865 -30.448 12.796 119 HA LYS 14 HA LYS 14 6.105 -28.393 14.627 120 HB2 LYS 14 2HB LYS 14 6.923 -28.449 11.714 121 HB3 LYS 14 1HB LYS 14 7.436 -27.213 12.864 122 HG2 LYS 14 2HG LYS 14 8.482 -28.917 14.277 123 HG3 LYS 14 1HG LYS 14 7.920 -30.188 13.191 124 HD2 LYS 14 2HD LYS 14 9.234 -29.160 11.346 125 HD3 LYS 14 1HD LYS 14 9.845 -27.956 12.479 126 HE2 LYS 14 2HE LYS 14 10.182 -30.945 12.847 127 HE3 LYS 14 1HE LYS 14 11.406 -29.897 12.131 128 HZ1 LYS 14 3HZ LYS 14 11.088 -30.412 14.788 129 HZ2 LYS 14 1HZ LYS 14 10.399 -28.874 14.605 130 HZ3 LYS 14 2HZ LYS 14 12.004 -29.147 14.120 131 H ILE 15 H ILE 15 6.013 -26.001 13.921 132 HA ILE 15 HA ILE 15 3.370 -25.239 13.890 133 HB ILE 15 HB ILE 15 4.657 -23.014 12.807 134 HG12 ILE 15 2HG1 ILE 15 6.753 -24.577 12.894 135 HG13 ILE 15 1HG1 ILE 15 6.891 -22.933 13.490 136 HG21 ILE 15 1HG2 ILE 15 4.304 -23.982 15.643 137 HG22 ILE 15 2HG2 ILE 15 3.375 -22.763 14.778 138 HG23 ILE 15 3HG2 ILE 15 5.024 -22.411 15.287 139 HD11 ILE 15 3HD1 ILE 15 7.781 -24.967 14.941 140 HD12 ILE 15 1HD1 ILE 15 6.091 -25.088 15.426 141 HD13 ILE 15 2HD1 ILE 15 6.982 -23.599 15.717 142 HA PRO 16 HA PRO 16 1.784 -25.303 9.784 143 HB2 PRO 16 2HB PRO 16 1.329 -22.345 9.868 144 HB3 PRO 16 1HB PRO 16 0.171 -23.656 9.565 145 HG2 PRO 16 2HG PRO 16 0.202 -22.344 11.884 146 HG3 PRO 16 1HG PRO 16 -0.131 -24.086 11.813 147 HD2 PRO 16 2HD PRO 16 2.373 -22.681 12.671 148 HD3 PRO 16 1HD PRO 16 1.634 -24.168 13.294 149 H SER 17 H SER 17 2.412 -24.987 7.649 150 HA SER 17 HA SER 17 5.079 -24.134 7.173 151 HB2 SER 17 2HB SER 17 4.631 -24.638 4.852 152 HB3 SER 17 1HB SER 17 3.867 -25.877 5.844 153 HG SER 17 HG SER 17 2.653 -23.610 4.638 154 H THR 18 H THR 18 2.656 -22.228 7.999 155 HA THR 18 HA THR 18 2.897 -20.179 5.935 156 HB THR 18 HB THR 18 1.291 -18.935 7.300 157 HG1 THR 18 HG1 THR 18 2.330 -20.149 9.260 158 HG21 THR 18 3HG2 THR 18 0.396 -21.816 7.291 159 HG22 THR 18 1HG2 THR 18 0.621 -20.917 5.791 160 HG23 THR 18 2HG2 THR 18 -0.563 -20.369 6.976 161 H ARG 19 H ARG 19 3.508 -17.978 6.504 162 HA ARG 19 HA ARG 19 5.258 -17.675 8.844 163 HB2 ARG 19 2HB ARG 19 6.167 -17.384 5.978 164 HB3 ARG 19 1HB ARG 19 7.028 -16.655 7.335 165 HG2 ARG 19 2HG ARG 19 7.305 -18.869 8.369 166 HG3 ARG 19 1HG ARG 19 6.414 -19.612 7.042 167 HD2 ARG 19 2HD ARG 19 8.811 -19.860 6.660 168 HD3 ARG 19 1HD ARG 19 8.120 -18.783 5.450 169 HE ARG 19 HE ARG 19 9.311 -17.005 6.398 170 HH11 ARG 19 1HH2 ARG 19 9.431 -19.845 8.373 171 HH12 ARG 19 2HH2 ARG 19 10.671 -19.234 9.416 172 HH21 ARG 19 1HH1 ARG 19 10.936 -16.197 7.764 173 HH22 ARG 19 2HH1 ARG 19 11.524 -17.168 9.071 174 H LYS 20 H LYS 20 6.205 -15.320 8.748 175 HA LYS 20 HA LYS 20 4.281 -13.411 7.616 176 HB2 LYS 20 2HB LYS 20 3.459 -14.027 9.885 177 HB3 LYS 20 1HB LYS 20 4.985 -13.457 10.559 178 HG2 LYS 20 2HG LYS 20 4.576 -11.214 9.612 179 HG3 LYS 20 1HG LYS 20 3.054 -11.775 8.933 180 HD2 LYS 20 2HD LYS 20 3.637 -11.986 11.891 181 HD3 LYS 20 1HD LYS 20 2.960 -10.519 11.190 182 HE2 LYS 20 2HE LYS 20 1.118 -11.967 10.196 183 HE3 LYS 20 1HE LYS 20 1.735 -13.291 11.183 184 HZ1 LYS 20 3HZ LYS 20 1.565 -11.270 12.954 185 HZ2 LYS 20 1HZ LYS 20 0.394 -12.479 12.743 186 HZ3 LYS 20 2HZ LYS 20 0.216 -10.981 11.963 187 H ILE 21 H ILE 21 5.239 -11.600 6.950 188 HA ILE 21 HA ILE 21 7.949 -10.940 7.945 189 HB ILE 21 HB ILE 21 8.634 -10.382 5.665 190 HG12 ILE 21 2HG1 ILE 21 5.955 -11.551 4.824 191 HG13 ILE 21 1HG1 ILE 21 6.338 -9.833 4.803 192 HG21 ILE 21 1HG2 ILE 21 8.956 -12.693 6.579 193 HG22 ILE 21 2HG2 ILE 21 8.824 -12.656 4.821 194 HG23 ILE 21 3HG2 ILE 21 7.452 -13.172 5.796 195 HD11 ILE 21 3HD1 ILE 21 7.422 -12.023 3.067 196 HD12 ILE 21 1HD1 ILE 21 8.399 -10.586 3.353 197 HD13 ILE 21 2HD1 ILE 21 6.813 -10.432 2.607 198 H LYS 22 H LYS 22 8.474 -8.749 7.947 199 HA LYS 22 HA LYS 22 6.177 -6.900 7.608 200 HB2 LYS 22 2HB LYS 22 8.541 -6.795 9.495 201 HB3 LYS 22 1HB LYS 22 7.360 -5.497 9.288 202 HG2 LYS 22 2HG LYS 22 5.569 -6.878 10.078 203 HG3 LYS 22 1HG LYS 22 6.572 -8.326 10.010 204 HD2 LYS 22 2HD LYS 22 6.338 -7.490 12.330 205 HD3 LYS 22 1HD LYS 22 8.014 -7.440 11.786 206 HE2 LYS 22 2HE LYS 22 7.109 -5.352 12.995 207 HE3 LYS 22 1HE LYS 22 7.958 -5.090 11.475 208 HZ1 LYS 22 3HZ LYS 22 5.675 -3.978 11.873 209 HZ2 LYS 22 1HZ LYS 22 5.044 -5.504 11.478 210 HZ3 LYS 22 2HZ LYS 22 6.007 -4.668 10.356 211 H ILE 23 H ILE 23 7.070 -7.034 5.282 212 HA ILE 23 HA ILE 23 9.466 -5.390 4.875 213 HB ILE 23 HB ILE 23 7.761 -6.639 2.727 214 HG12 ILE 23 2HG1 ILE 23 8.304 -8.441 4.236 215 HG13 ILE 23 1HG1 ILE 23 9.413 -8.544 2.867 216 HG21 ILE 23 1HG2 ILE 23 10.696 -5.881 2.907 217 HG22 ILE 23 2HG2 ILE 23 9.455 -4.984 2.034 218 HG23 ILE 23 3HG2 ILE 23 9.910 -6.603 1.503 219 HD11 ILE 23 3HD1 ILE 23 10.806 -8.819 4.761 220 HD12 ILE 23 1HD1 ILE 23 9.974 -7.553 5.662 221 HD13 ILE 23 2HD1 ILE 23 11.027 -7.130 4.313 222 H THR 24 H THR 24 9.331 -3.278 4.476 223 HA THR 24 HA THR 24 7.192 -2.152 2.911 224 HB THR 24 HB THR 24 5.987 -2.207 4.988 225 HG1 THR 24 HG1 THR 24 7.151 0.275 4.325 226 HG21 THR 24 3HG2 THR 24 8.433 -0.906 6.222 227 HG22 THR 24 1HG2 THR 24 7.944 -2.585 6.454 228 HG23 THR 24 2HG2 THR 24 6.924 -1.279 7.059 229 H PHE 25 H PHE 25 7.760 -0.189 2.048 230 HA PHE 25 HA PHE 25 10.276 1.054 2.992 231 HB2 PHE 25 2HB PHE 25 9.484 0.279 0.185 232 HB3 PHE 25 1HB PHE 25 10.635 1.583 0.473 233 HD1 PHE 25 HD2 PHE 25 12.485 0.972 2.331 234 HD2 PHE 25 HD1 PHE 25 10.384 -1.869 -0.117 235 HE1 PHE 25 HE2 PHE 25 14.299 -0.681 2.687 236 HE2 PHE 25 HE1 PHE 25 12.200 -3.520 0.242 237 HZ PHE 25 HZ PHE 25 14.156 -2.926 1.644 238 H ALA 26 H ALA 26 10.226 3.188 3.212 239 HA ALA 26 HA ALA 26 8.015 4.727 1.984 240 HB1 ALA 26 3HB ALA 26 7.865 6.002 4.140 241 HB2 ALA 26 1HB ALA 26 8.911 4.783 4.873 242 HB3 ALA 26 2HB ALA 26 7.322 4.327 4.258 243 H LEU 27 H LEU 27 8.532 6.781 1.373 244 HA LEU 27 HA LEU 27 11.402 7.451 1.360 245 HB2 LEU 27 2HB LEU 27 10.563 9.224 -0.308 246 HB3 LEU 27 1HB LEU 27 10.537 7.543 -0.825 247 HG LEU 27 HG LEU 27 8.070 8.559 0.552 248 HD11 LEU 27 1HD1 LEU 27 7.222 9.461 -1.634 249 HD12 LEU 27 2HD1 LEU 27 8.870 9.370 -2.255 250 HD13 LEU 27 3HD1 LEU 27 8.496 10.439 -0.903 251 HD21 LEU 27 3HD2 LEU 27 6.971 6.992 -0.848 252 HD22 LEU 27 1HD2 LEU 27 8.492 6.201 -0.441 253 HD23 LEU 27 2HD2 LEU 27 8.295 6.969 -2.012 254 H ASP 28 H ASP 28 8.677 8.115 3.155 255 HA ASP 28 HA ASP 28 9.936 10.451 4.358 256 HB2 ASP 28 2HB ASP 28 8.390 11.214 2.423 257 HB3 ASP 28 1HB ASP 28 7.062 10.729 3.475 258 H ALA 29 H ALA 29 8.781 11.129 6.344 259 HA ALA 29 HA ALA 29 8.177 8.894 7.974 260 HB1 ALA 29 3HB ALA 29 7.450 10.686 9.625 261 HB2 ALA 29 1HB ALA 29 7.850 11.868 8.378 262 HB3 ALA 29 2HB ALA 29 9.106 10.815 9.029 263 H THR 30 H THR 30 6.157 11.280 6.322 264 HA THR 30 HA THR 30 3.695 10.616 7.513 265 HB THR 30 HB THR 30 4.272 11.648 4.726 266 HG1 THR 30 HG1 THR 30 3.298 13.233 6.787 267 HG21 THR 30 3HG2 THR 30 1.900 12.591 5.054 268 HG22 THR 30 1HG2 THR 30 1.740 11.410 6.352 269 HG23 THR 30 2HG2 THR 30 2.033 10.870 4.698 270 H PHE 31 H PHE 31 5.279 9.380 4.574 271 HA PHE 31 HA PHE 31 3.207 7.594 3.861 272 HB2 PHE 31 2HB PHE 31 6.076 7.940 3.085 273 HB3 PHE 31 1HB PHE 31 5.254 6.447 2.625 274 HD1 PHE 31 HD2 PHE 31 2.751 6.858 1.696 275 HD2 PHE 31 HD1 PHE 31 5.975 9.702 1.545 276 HE1 PHE 31 HE2 PHE 31 1.643 8.026 -0.189 277 HE2 PHE 31 HE1 PHE 31 4.858 10.867 -0.337 278 HZ PHE 31 HZ PHE 31 2.692 10.029 -1.205 279 H ASP 32 H ASP 32 5.826 7.430 6.106 280 HA ASP 32 HA ASP 32 5.830 4.570 6.397 281 HB2 ASP 32 2HB ASP 32 7.748 6.118 6.974 282 HB3 ASP 32 1HB ASP 32 6.830 6.587 8.405 283 H SER 33 H SER 33 4.324 7.273 8.121 284 HA SER 33 HA SER 33 3.241 5.735 10.246 285 HB2 SER 33 2HB SER 33 1.785 7.691 10.618 286 HB3 SER 33 1HB SER 33 3.470 8.161 10.396 287 HG SER 33 HG SER 33 3.004 8.965 8.456 288 H VAL 34 H VAL 34 1.813 6.915 7.193 289 HA VAL 34 HA VAL 34 -0.740 5.750 7.622 290 HB VAL 34 HB VAL 34 -1.085 6.127 5.212 291 HG11 VAL 34 1HG1 VAL 34 0.412 8.306 6.694 292 HG12 VAL 34 2HG1 VAL 34 -1.332 8.051 6.667 293 HG13 VAL 34 3HG1 VAL 34 -0.496 8.576 5.206 294 HG21 VAL 34 3HG2 VAL 34 0.933 7.213 4.021 295 HG22 VAL 34 1HG2 VAL 34 0.953 5.463 4.224 296 HG23 VAL 34 2HG2 VAL 34 1.896 6.481 5.304 297 H LEU 35 H LEU 35 2.175 4.595 5.936 298 HA LEU 35 HA LEU 35 1.037 2.209 4.927 299 HB2 LEU 35 2HB LEU 35 3.845 3.085 5.553 300 HB3 LEU 35 1HB LEU 35 3.529 1.447 4.997 301 HG LEU 35 HG LEU 35 2.590 3.933 3.531 302 HD11 LEU 35 1HD1 LEU 35 4.966 2.182 2.843 303 HD12 LEU 35 2HD1 LEU 35 5.101 3.720 3.693 304 HD13 LEU 35 3HD1 LEU 35 4.470 3.679 2.049 305 HD21 LEU 35 3HD2 LEU 35 2.686 2.002 1.642 306 HD22 LEU 35 1HD2 LEU 35 1.257 2.270 2.630 307 HD23 LEU 35 2HD2 LEU 35 2.386 0.981 3.042 308 H SER 36 H SER 36 2.735 2.906 7.965 309 HA SER 36 HA SER 36 2.702 0.228 8.913 310 HB2 SER 36 2HB SER 36 3.212 1.257 11.107 311 HB3 SER 36 1HB SER 36 4.239 1.887 9.823 312 HG SER 36 HG SER 36 1.881 3.083 10.866 313 H LYS 37 H LYS 37 0.558 3.004 9.419 314 HA LYS 37 HA LYS 37 -1.178 1.743 11.264 315 HB2 LYS 37 2HB LYS 37 -0.990 4.240 10.734 316 HB3 LYS 37 1HB LYS 37 -2.003 3.906 9.328 317 HG2 LYS 37 2HG LYS 37 -3.761 3.001 10.767 318 HG3 LYS 37 1HG LYS 37 -2.742 3.224 12.190 319 HD2 LYS 37 2HD LYS 37 -2.718 5.656 11.807 320 HD3 LYS 37 1HD LYS 37 -3.715 5.446 10.370 321 HE2 LYS 37 2HE LYS 37 -5.166 6.073 12.209 322 HE3 LYS 37 1HE LYS 37 -5.468 4.380 11.817 323 HZ1 LYS 37 3HZ LYS 37 -5.060 5.143 14.271 324 HZ2 LYS 37 1HZ LYS 37 -3.430 5.004 13.826 325 HZ3 LYS 37 2HZ LYS 37 -4.459 3.657 13.710 326 H ALA 38 H ALA 38 -1.093 1.866 7.752 327 HA ALA 38 HA ALA 38 -3.664 0.578 7.441 328 HB1 ALA 38 3HB ALA 38 -1.483 1.120 5.411 329 HB2 ALA 38 1HB ALA 38 -2.836 2.192 5.769 330 HB3 ALA 38 2HB ALA 38 -3.131 0.609 5.049 331 H CYS 39 H CYS 39 -0.315 -0.334 6.576 332 HA CYS 39 HA CYS 39 -0.967 -3.145 7.219 333 HB2 CYS 39 2HB CYS 39 0.197 -2.108 4.635 334 HB3 CYS 39 1HB CYS 39 0.355 -3.787 5.151 335 HG CYS 39 HG CYS 39 -2.053 -4.190 4.663 336 H SER 40 H SER 40 0.304 -3.063 9.059 337 HA SER 40 HA SER 40 3.162 -2.374 8.756 338 HB2 SER 40 2HB SER 40 3.027 -2.774 11.352 339 HB3 SER 40 1HB SER 40 2.380 -1.290 10.666 340 HG SER 40 HG SER 40 0.680 -1.965 11.756 341 H GLU 41 H GLU 41 1.207 -5.019 8.458 342 HA GLU 41 HA GLU 41 3.456 -6.850 8.918 343 HB2 GLU 41 2HB GLU 41 0.736 -7.140 10.207 344 HB3 GLU 41 1HB GLU 41 1.894 -8.464 10.068 345 HG2 GLU 41 2HG GLU 41 3.561 -7.129 11.314 346 HG3 GLU 41 1HG GLU 41 2.397 -5.818 11.464 347 H PHE 42 H PHE 42 3.671 -8.166 7.236 348 HA PHE 42 HA PHE 42 1.334 -8.602 5.458 349 HB2 PHE 42 2HB PHE 42 4.305 -8.544 4.896 350 HB3 PHE 42 1HB PHE 42 3.116 -9.148 3.744 351 HD1 PHE 42 HD2 PHE 42 1.137 -7.584 3.140 352 HD2 PHE 42 HD1 PHE 42 4.748 -6.228 5.041 353 HE1 PHE 42 HE2 PHE 42 0.645 -5.261 2.427 354 HE2 PHE 42 HE1 PHE 42 4.249 -3.907 4.327 355 HZ PHE 42 HZ PHE 42 2.199 -3.423 3.018 356 H GLU 43 H GLU 43 0.438 -10.501 5.862 357 HA GLU 43 HA GLU 43 1.801 -12.696 7.066 358 HB2 GLU 43 2HB GLU 43 -0.298 -13.953 6.465 359 HB3 GLU 43 1HB GLU 43 -0.566 -12.502 7.428 360 HG2 GLU 43 2HG GLU 43 -0.664 -12.369 4.411 361 HG3 GLU 43 1HG GLU 43 -2.066 -12.918 5.324 362 H VAL 44 H VAL 44 2.159 -14.785 6.107 363 HA VAL 44 HA VAL 44 2.495 -14.770 3.162 364 HB VAL 44 HB VAL 44 4.473 -15.829 5.195 365 HG11 VAL 44 1HG1 VAL 44 4.551 -17.253 3.287 366 HG12 VAL 44 2HG1 VAL 44 5.857 -16.092 3.050 367 HG13 VAL 44 3HG1 VAL 44 4.337 -15.900 2.174 368 HG21 VAL 44 3HG2 VAL 44 4.567 -13.473 3.285 369 HG22 VAL 44 1HG2 VAL 44 5.938 -14.056 4.231 370 HG23 VAL 44 2HG2 VAL 44 4.522 -13.389 5.047 371 H ASP 45 H ASP 45 1.525 -16.430 2.228 372 HA ASP 45 HA ASP 45 1.357 -19.025 3.588 373 HB2 ASP 45 2HB ASP 45 -1.059 -17.487 2.597 374 HB3 ASP 45 1HB ASP 45 -1.075 -19.183 3.076 375 H LYS 46 H LYS 46 1.058 -20.762 2.185 376 HA LYS 46 HA LYS 46 2.047 -20.367 -0.471 377 HB2 LYS 46 2HB LYS 46 0.896 -22.794 0.921 378 HB3 LYS 46 1HB LYS 46 1.607 -22.821 -0.692 379 HG2 LYS 46 2HG LYS 46 3.737 -22.022 0.193 380 HG3 LYS 46 1HG LYS 46 3.039 -21.872 1.801 381 HD2 LYS 46 2HD LYS 46 4.179 -23.950 1.850 382 HD3 LYS 46 1HD LYS 46 2.484 -24.376 1.627 383 HE2 LYS 46 2HE LYS 46 2.799 -24.812 -0.701 384 HE3 LYS 46 1HE LYS 46 4.386 -24.042 -0.709 385 HZ1 LYS 46 3HZ LYS 46 4.999 -25.817 0.991 386 HZ2 LYS 46 1HZ LYS 46 4.844 -26.301 -0.629 387 HZ3 LYS 46 2HZ LYS 46 3.595 -26.626 0.478 388 H ASP 47 H ASP 47 -0.719 -19.314 0.485 389 HA ASP 47 HA ASP 47 -2.341 -20.430 -1.740 390 HB2 ASP 47 2HB ASP 47 -3.182 -19.104 0.848 391 HB3 ASP 47 1HB ASP 47 -4.287 -19.528 -0.460 392 H VAL 48 H VAL 48 -0.463 -17.827 -0.909 393 HA VAL 48 HA VAL 48 -2.037 -15.957 -2.600 394 HB VAL 48 HB VAL 48 -0.104 -15.315 -0.357 395 HG11 VAL 48 1HG1 VAL 48 -0.992 -12.973 -0.787 396 HG12 VAL 48 2HG1 VAL 48 -1.693 -13.597 -2.278 397 HG13 VAL 48 3HG1 VAL 48 0.056 -13.616 -2.053 398 HG21 VAL 48 3HG2 VAL 48 -2.226 -14.326 0.642 399 HG22 VAL 48 1HG2 VAL 48 -2.194 -16.086 0.560 400 HG23 VAL 48 2HG2 VAL 48 -3.120 -15.168 -0.626 401 H THR 49 H THR 49 -1.084 -15.212 -4.386 402 HA THR 49 HA THR 49 1.713 -16.009 -4.913 403 HB THR 49 HB THR 49 1.158 -15.702 -7.268 404 HG1 THR 49 HG1 THR 49 -1.001 -15.130 -7.795 405 HG21 THR 49 3HG2 THR 49 0.619 -17.865 -6.274 406 HG22 THR 49 1HG2 THR 49 -0.614 -17.438 -7.460 407 HG23 THR 49 2HG2 THR 49 -0.947 -17.256 -5.738 408 H LEU 50 H LEU 50 3.110 -14.504 -5.976 409 HA LEU 50 HA LEU 50 3.409 -12.062 -4.746 410 HB2 LEU 50 2HB LEU 50 4.868 -11.447 -6.652 411 HB3 LEU 50 1HB LEU 50 5.183 -13.068 -6.047 412 HG LEU 50 HG LEU 50 3.248 -13.580 -7.970 413 HD11 LEU 50 1HD1 LEU 50 3.602 -12.290 -9.911 414 HD12 LEU 50 2HD1 LEU 50 5.081 -11.567 -9.274 415 HD13 LEU 50 3HD1 LEU 50 3.515 -11.095 -8.619 416 HD21 LEU 50 3HD2 LEU 50 6.267 -13.527 -8.245 417 HD22 LEU 50 1HD2 LEU 50 5.192 -14.276 -9.427 418 HD23 LEU 50 2HD2 LEU 50 5.256 -14.894 -7.777 419 H ASP 51 H ASP 51 1.675 -12.765 -7.765 420 HA ASP 51 HA ASP 51 1.074 -10.116 -8.493 421 HB2 ASP 51 2HB ASP 51 -0.955 -11.269 -9.628 422 HB3 ASP 51 1HB ASP 51 0.661 -11.747 -10.139 423 H GLU 52 H GLU 52 -0.800 -12.462 -6.582 424 HA GLU 52 HA GLU 52 -2.956 -10.724 -6.004 425 HB2 GLU 52 2HB GLU 52 -1.905 -13.175 -4.568 426 HB3 GLU 52 1HB GLU 52 -3.393 -12.343 -4.117 427 HG2 GLU 52 2HG GLU 52 -2.838 -13.452 -6.883 428 HG3 GLU 52 1HG GLU 52 -3.765 -14.300 -5.647 429 H LEU 53 H LEU 53 0.138 -11.327 -4.449 430 HA LEU 53 HA LEU 53 -0.368 -9.961 -2.040 431 HB2 LEU 53 2HB LEU 53 1.588 -11.384 -2.274 432 HB3 LEU 53 1HB LEU 53 2.224 -10.354 -3.554 433 HG LEU 53 HG LEU 53 2.462 -8.486 -1.981 434 HD11 LEU 53 1HD1 LEU 53 0.720 -8.666 -0.427 435 HD12 LEU 53 2HD1 LEU 53 2.109 -9.167 0.533 436 HD13 LEU 53 3HD1 LEU 53 1.018 -10.380 -0.134 437 HD21 LEU 53 3HD2 LEU 53 3.600 -10.940 -0.633 438 HD22 LEU 53 1HD2 LEU 53 4.312 -9.329 -0.755 439 HD23 LEU 53 2HD2 LEU 53 4.209 -10.360 -2.184 440 H LEU 54 H LEU 54 0.915 -8.846 -5.151 441 HA LEU 54 HA LEU 54 1.438 -6.176 -4.383 442 HB2 LEU 54 2HB LEU 54 0.796 -7.415 -7.060 443 HB3 LEU 54 1HB LEU 54 1.271 -5.733 -6.869 444 HG LEU 54 HG LEU 54 2.919 -8.071 -5.859 445 HD11 LEU 54 1HD1 LEU 54 2.616 -8.006 -8.378 446 HD12 LEU 54 2HD1 LEU 54 4.282 -7.894 -7.820 447 HD13 LEU 54 3HD1 LEU 54 3.435 -6.444 -8.361 448 HD21 LEU 54 3HD2 LEU 54 3.742 -6.249 -4.673 449 HD22 LEU 54 1HD2 LEU 54 3.274 -5.087 -5.910 450 HD23 LEU 54 2HD2 LEU 54 4.702 -6.085 -6.137 451 H ASP 55 H ASP 55 -1.428 -7.761 -5.709 452 HA ASP 55 HA ASP 55 -2.958 -5.381 -6.006 453 HB2 ASP 55 2HB ASP 55 -3.732 -8.280 -5.716 454 HB3 ASP 55 1HB ASP 55 -4.909 -6.992 -5.978 455 H VAL 56 H VAL 56 -2.696 -7.779 -3.396 456 HA VAL 56 HA VAL 56 -4.713 -6.694 -1.733 457 HB VAL 56 HB VAL 56 -2.281 -8.373 -1.113 458 HG11 VAL 56 1HG1 VAL 56 -4.493 -7.359 0.687 459 HG12 VAL 56 2HG1 VAL 56 -2.750 -7.297 0.956 460 HG13 VAL 56 3HG1 VAL 56 -3.600 -8.837 1.057 461 HG21 VAL 56 3HG2 VAL 56 -3.800 -10.200 -1.110 462 HG22 VAL 56 1HG2 VAL 56 -4.256 -9.246 -2.522 463 HG23 VAL 56 2HG2 VAL 56 -5.206 -9.137 -1.039 464 H VAL 57 H VAL 57 -1.166 -6.316 -1.553 465 HA VAL 57 HA VAL 57 -1.146 -4.551 0.614 466 HB VAL 57 HB VAL 57 0.885 -5.639 -0.243 467 HG11 VAL 57 1HG1 VAL 57 0.142 -5.245 -2.668 468 HG12 VAL 57 2HG1 VAL 57 1.852 -5.082 -2.330 469 HG13 VAL 57 3HG1 VAL 57 0.847 -3.648 -2.514 470 HG21 VAL 57 3HG2 VAL 57 1.210 -2.643 -0.536 471 HG22 VAL 57 1HG2 VAL 57 2.375 -3.808 0.093 472 HG23 VAL 57 2HG2 VAL 57 0.933 -3.409 1.028 473 H LEU 58 H LEU 58 -1.260 -3.856 -2.889 474 HA LEU 58 HA LEU 58 -1.250 -1.038 -2.584 475 HB2 LEU 58 2HB LEU 58 -0.729 -2.161 -4.708 476 HB3 LEU 58 1HB LEU 58 -2.390 -2.739 -4.815 477 HG LEU 58 HG LEU 58 -3.203 -0.407 -4.885 478 HD11 LEU 58 1HD1 LEU 58 -1.246 1.306 -5.379 479 HD12 LEU 58 2HD1 LEU 58 -0.284 0.165 -4.445 480 HD13 LEU 58 3HD1 LEU 58 -1.697 0.933 -3.721 481 HD21 LEU 58 3HD2 LEU 58 -2.210 0.188 -7.121 482 HD22 LEU 58 1HD2 LEU 58 -2.773 -1.480 -7.008 483 HD23 LEU 58 2HD2 LEU 58 -1.050 -1.123 -6.894 484 H ASP 59 H ASP 59 -3.926 -3.248 -3.298 485 HA ASP 59 HA ASP 59 -5.986 -1.370 -3.137 486 HB2 ASP 59 2HB ASP 59 -5.987 -4.337 -2.572 487 HB3 ASP 59 1HB ASP 59 -7.453 -3.361 -2.591 488 H ALA 60 H ALA 60 -4.285 -3.120 -0.641 489 HA ALA 60 HA ALA 60 -6.062 -2.656 1.505 490 HB1 ALA 60 3HB ALA 60 -3.093 -3.193 1.373 491 HB2 ALA 60 1HB ALA 60 -4.382 -4.320 1.792 492 HB3 ALA 60 2HB ALA 60 -3.956 -3.017 2.900 493 H VAL 61 H VAL 61 -3.001 -0.971 0.677 494 HA VAL 61 HA VAL 61 -3.418 1.093 2.601 495 HB VAL 61 HB VAL 61 -1.538 2.229 1.465 496 HG11 VAL 61 1HG1 VAL 61 -0.944 0.555 3.085 497 HG12 VAL 61 2HG1 VAL 61 0.096 0.293 1.685 498 HG13 VAL 61 3HG1 VAL 61 -1.302 -0.750 1.955 499 HG21 VAL 61 3HG2 VAL 61 -0.474 0.901 -0.443 500 HG22 VAL 61 1HG2 VAL 61 -1.960 1.758 -0.843 501 HG23 VAL 61 2HG2 VAL 61 -1.990 0.024 -0.547 502 H GLU 62 H GLU 62 -3.925 0.897 -0.909 503 HA GLU 62 HA GLU 62 -4.700 3.548 -1.345 504 HB2 GLU 62 2HB GLU 62 -4.201 1.903 -3.138 505 HB3 GLU 62 1HB GLU 62 -5.712 1.072 -2.763 506 HG2 GLU 62 2HG GLU 62 -6.988 3.092 -3.302 507 HG3 GLU 62 1HG GLU 62 -5.495 3.976 -3.609 508 H SER 63 H SER 63 -6.632 0.697 -0.479 509 HA SER 63 HA SER 63 -9.146 1.972 -0.538 510 HB2 SER 63 2HB SER 63 -9.886 0.082 0.885 511 HB3 SER 63 1HB SER 63 -8.954 -0.456 -0.508 512 HG SER 63 HG SER 63 -8.047 -0.105 2.163 513 H THR 64 H THR 64 -6.846 1.413 2.136 514 HA THR 64 HA THR 64 -8.437 2.589 4.152 515 HB THR 64 HB THR 64 -5.415 2.591 4.054 516 HG1 THR 64 HG1 THR 64 -5.677 0.517 3.885 517 HG21 THR 64 3HG2 THR 64 -7.452 2.489 6.296 518 HG22 THR 64 1HG2 THR 64 -6.374 3.832 5.915 519 HG23 THR 64 2HG2 THR 64 -5.711 2.314 6.517 520 H LEU 65 H LEU 65 -5.733 3.946 2.255 521 HA LEU 65 HA LEU 65 -6.686 6.661 2.958 522 HB2 LEU 65 2HB LEU 65 -4.326 5.967 3.627 523 HB3 LEU 65 1HB LEU 65 -3.951 5.951 1.909 524 HG LEU 65 HG LEU 65 -4.887 8.331 1.816 525 HD11 LEU 65 1HD1 LEU 65 -4.550 9.494 4.137 526 HD12 LEU 65 2HD1 LEU 65 -4.816 7.888 4.801 527 HD13 LEU 65 3HD1 LEU 65 -6.065 8.661 3.829 528 HD21 LEU 65 3HD2 LEU 65 -2.522 7.989 1.634 529 HD22 LEU 65 1HD2 LEU 65 -2.373 7.641 3.357 530 HD23 LEU 65 2HD2 LEU 65 -2.747 9.278 2.815 531 H SER 66 H SER 66 -8.305 6.247 1.207 532 HA SER 66 HA SER 66 -7.367 6.167 -1.514 533 HB2 SER 66 2HB SER 66 -9.839 5.767 -0.176 534 HB3 SER 66 1HB SER 66 -10.099 7.078 -1.321 535 HG SER 66 HG SER 66 -9.111 5.714 -2.912 536 HA PRO 67 HA PRO 67 -8.542 10.775 -1.413 537 HB2 PRO 67 2HB PRO 67 -9.193 11.970 0.950 538 HB3 PRO 67 1HB PRO 67 -10.373 11.083 -0.032 539 HG2 PRO 67 2HG PRO 67 -9.032 10.277 2.486 540 HG3 PRO 67 1HG PRO 67 -10.625 9.825 1.859 541 HD2 PRO 67 2HD PRO 67 -8.266 8.256 1.738 542 HD3 PRO 67 1HD PRO 67 -9.783 7.927 0.878 543 H CYS 68 H CYS 68 -6.488 11.413 -1.900 544 HA CYS 68 HA CYS 68 -4.786 12.338 0.339 545 HB2 CYS 68 2HB CYS 68 -3.506 11.122 -2.096 546 HB3 CYS 68 1HB CYS 68 -2.881 11.276 -0.456 547 HG CYS 68 HG CYS 68 -4.992 9.471 0.057 548 H LYS 69 H LYS 69 -6.259 12.895 -2.664 549 HA LYS 69 HA LYS 69 -4.578 14.633 -3.992 550 HB2 LYS 69 2HB LYS 69 -7.580 14.771 -3.667 551 HB3 LYS 69 1HB LYS 69 -6.662 15.743 -4.817 552 HG2 LYS 69 2HG LYS 69 -5.813 13.723 -5.900 553 HG3 LYS 69 1HG LYS 69 -6.621 12.714 -4.707 554 HD2 LYS 69 2HD LYS 69 -8.101 12.683 -6.545 555 HD3 LYS 69 1HD LYS 69 -8.801 13.887 -5.468 556 HE2 LYS 69 2HE LYS 69 -7.897 15.698 -6.776 557 HE3 LYS 69 1HE LYS 69 -6.920 14.590 -7.741 558 HZ1 LYS 69 3HZ LYS 69 -9.882 14.733 -7.671 559 HZ2 LYS 69 1HZ LYS 69 -8.995 13.563 -8.521 560 HZ3 LYS 69 2HZ LYS 69 -8.876 15.201 -8.956 561 H GLU 70 H GLU 70 -5.658 14.975 -0.846 562 HA GLU 70 HA GLU 70 -6.037 17.806 -0.718 563 HB2 GLU 70 2HB GLU 70 -6.001 17.492 1.683 564 HB3 GLU 70 1HB GLU 70 -6.916 16.171 0.960 565 HG2 GLU 70 2HG GLU 70 -4.801 14.788 1.005 566 HG3 GLU 70 1HG GLU 70 -4.047 16.080 1.937 567 H HIS 71 H HIS 71 -3.290 15.629 -0.284 568 HA HIS 71 HA HIS 71 -1.514 17.781 0.534 569 HB2 HIS 71 2HB HIS 71 -1.099 14.844 -0.039 570 HB3 HIS 71 1HB HIS 71 0.233 15.940 0.336 571 HD1 HIS 71 HD1 HIS 71 -0.092 17.316 2.683 572 HD2 HIS 71 HD2 HIS 71 -2.364 13.852 2.221 573 HE1 HIS 71 HE1 HIS 71 -0.873 16.659 5.000 574 H ASP 72 H ASP 72 0.398 18.368 -0.648 575 HA ASP 72 HA ASP 72 -0.131 18.757 -3.448 576 HB2 ASP 72 2HB ASP 72 2.118 19.880 -3.409 577 HB3 ASP 72 1HB ASP 72 0.964 20.531 -2.245 578 H VAL 73 H VAL 73 2.600 17.235 -1.713 579 HA VAL 73 HA VAL 73 3.267 15.700 -4.132 580 HB VAL 73 HB VAL 73 5.341 15.147 -2.955 581 HG11 VAL 73 1HG1 VAL 73 4.797 18.097 -2.565 582 HG12 VAL 73 2HG1 VAL 73 4.970 17.378 -4.167 583 HG13 VAL 73 3HG1 VAL 73 6.312 17.321 -3.025 584 HG21 VAL 73 3HG2 VAL 73 3.932 16.542 -0.670 585 HG22 VAL 73 1HG2 VAL 73 5.691 16.418 -0.721 586 HG23 VAL 73 2HG2 VAL 73 4.711 14.959 -0.679 587 H ILE 74 H ILE 74 2.501 15.214 -0.698 588 HA ILE 74 HA ILE 74 2.541 12.360 -0.837 589 HB ILE 74 HB ILE 74 0.954 13.900 1.216 590 HG12 ILE 74 2HG1 ILE 74 3.970 13.620 1.068 591 HG13 ILE 74 1HG1 ILE 74 3.060 15.129 0.977 592 HG21 ILE 74 1HG2 ILE 74 2.805 11.517 1.500 593 HG22 ILE 74 2HG2 ILE 74 1.083 11.359 1.175 594 HG23 ILE 74 3HG2 ILE 74 1.626 12.105 2.672 595 HD11 ILE 74 3HD1 ILE 74 3.339 13.277 3.342 596 HD12 ILE 74 1HD1 ILE 74 2.106 14.533 3.266 597 HD13 ILE 74 2HD1 ILE 74 3.813 14.971 3.233 598 H GLY 75 H GLY 75 0.544 14.491 -2.292 599 HA2 GLY 75 2HA GLY 75 -1.900 12.833 -2.011 600 HA3 GLY 75 1HA GLY 75 -1.853 14.501 -2.574 601 H THR 76 H THR 76 0.272 14.318 -4.383 602 HA THR 76 HA THR 76 -0.968 13.648 -6.746 603 HB THR 76 HB THR 76 2.002 13.461 -6.200 604 HG1 THR 76 HG1 THR 76 1.803 15.508 -5.876 605 HG21 THR 76 3HG2 THR 76 0.326 13.703 -8.697 606 HG22 THR 76 1HG2 THR 76 1.617 12.555 -8.346 607 HG23 THR 76 2HG2 THR 76 2.000 14.245 -8.662 608 H LYS 77 H LYS 77 0.130 11.537 -4.348 609 HA LYS 77 HA LYS 77 0.989 9.309 -5.779 610 HB2 LYS 77 2HB LYS 77 0.414 8.004 -3.842 611 HB3 LYS 77 1HB LYS 77 1.067 9.549 -3.298 612 HG2 LYS 77 2HG LYS 77 -1.295 10.400 -3.107 613 HG3 LYS 77 1HG LYS 77 -1.861 8.767 -3.449 614 HD2 LYS 77 2HD LYS 77 0.042 9.414 -1.191 615 HD3 LYS 77 1HD LYS 77 -1.701 9.345 -0.991 616 HE2 LYS 77 2HE LYS 77 -1.578 6.985 -1.992 617 HE3 LYS 77 1HE LYS 77 0.165 7.094 -1.747 618 HZ1 LYS 77 3HZ LYS 77 -0.909 7.948 0.607 619 HZ2 LYS 77 1HZ LYS 77 -0.228 6.424 0.312 620 HZ3 LYS 77 2HZ LYS 77 -1.906 6.648 0.160 621 H VAL 78 H VAL 78 -2.276 10.443 -5.072 622 HA VAL 78 HA VAL 78 -3.689 8.168 -5.905 623 HB VAL 78 HB VAL 78 -4.386 11.110 -5.920 624 HG11 VAL 78 1HG1 VAL 78 -5.816 10.228 -7.593 625 HG12 VAL 78 2HG1 VAL 78 -6.785 10.212 -6.120 626 HG13 VAL 78 3HG1 VAL 78 -6.051 8.717 -6.710 627 HG21 VAL 78 3HG2 VAL 78 -5.594 8.947 -4.197 628 HG22 VAL 78 1HG2 VAL 78 -5.465 10.677 -3.880 629 HG23 VAL 78 2HG2 VAL 78 -4.037 9.649 -3.770 630 H CYS 79 H CYS 79 -2.606 11.015 -7.745 631 HA CYS 79 HA CYS 79 -3.725 10.232 -10.221 632 HB2 CYS 79 2HB CYS 79 -1.345 11.995 -9.601 633 HB3 CYS 79 1HB CYS 79 -2.098 11.852 -11.190 634 HG CYS 79 HG CYS 79 -3.294 13.333 -8.764 635 H ALA 80 H ALA 80 -0.450 9.837 -8.886 636 HA ALA 80 HA ALA 80 0.618 8.453 -11.111 637 HB1 ALA 80 3HB ALA 80 2.358 7.683 -9.466 638 HB2 ALA 80 1HB ALA 80 1.421 8.470 -8.193 639 HB3 ALA 80 2HB ALA 80 2.116 9.430 -9.499 640 H LEU 81 H LEU 81 -1.104 7.410 -8.243 641 HA LEU 81 HA LEU 81 -0.646 4.653 -8.469 642 HB2 LEU 81 2HB LEU 81 -1.562 5.676 -6.443 643 HB3 LEU 81 1HB LEU 81 -3.024 6.120 -7.310 644 HG LEU 81 HG LEU 81 -2.308 3.226 -7.481 645 HD11 LEU 81 1HD1 LEU 81 -3.296 4.406 -4.866 646 HD12 LEU 81 2HD1 LEU 81 -1.695 3.719 -5.131 647 HD13 LEU 81 3HD1 LEU 81 -3.120 2.691 -5.237 648 HD21 LEU 81 3HD2 LEU 81 -4.655 2.916 -7.401 649 HD22 LEU 81 1HD2 LEU 81 -4.471 4.431 -8.277 650 HD23 LEU 81 2HD2 LEU 81 -4.923 4.454 -6.578 651 H LEU 82 H LEU 82 -3.203 6.736 -9.761 652 HA LEU 82 HA LEU 82 -4.676 4.629 -10.957 653 HB2 LEU 82 2HB LEU 82 -5.637 6.864 -10.552 654 HB3 LEU 82 1HB LEU 82 -4.538 7.549 -11.746 655 HG LEU 82 HG LEU 82 -5.540 6.101 -13.494 656 HD11 LEU 82 1HD1 LEU 82 -7.086 5.068 -11.129 657 HD12 LEU 82 2HD1 LEU 82 -6.378 4.179 -12.480 658 HD13 LEU 82 3HD1 LEU 82 -7.864 5.091 -12.711 659 HD21 LEU 82 3HD2 LEU 82 -7.391 7.867 -11.878 660 HD22 LEU 82 1HD2 LEU 82 -7.843 7.202 -13.448 661 HD23 LEU 82 2HD2 LEU 82 -6.467 8.298 -13.316 662 H ASP 83 H ASP 83 -2.080 6.736 -12.114 663 HA ASP 83 HA ASP 83 -2.128 5.921 -14.817 664 HB2 ASP 83 2HB ASP 83 0.079 7.024 -13.079 665 HB3 ASP 83 1HB ASP 83 0.264 6.739 -14.808 666 H ARG 84 H ARG 84 -0.075 4.810 -12.116 667 HA ARG 84 HA ARG 84 1.222 2.787 -13.636 668 HB2 ARG 84 2HB ARG 84 2.219 2.097 -11.577 669 HB3 ARG 84 1HB ARG 84 2.133 3.854 -11.559 670 HG2 ARG 84 2HG ARG 84 -0.021 3.661 -10.317 671 HG3 ARG 84 1HG ARG 84 0.241 1.933 -10.175 672 HD2 ARG 84 2HD ARG 84 2.442 2.404 -9.080 673 HD3 ARG 84 1HD ARG 84 2.029 4.118 -9.092 674 HE ARG 84 HE ARG 84 -0.015 2.521 -7.863 675 HH11 ARG 84 1HH2 ARG 84 3.066 4.027 -7.434 676 HH12 ARG 84 2HH2 ARG 84 2.896 4.203 -5.720 677 HH21 ARG 84 1HH1 ARG 84 -0.248 2.752 -5.619 678 HH22 ARG 84 2HH1 ARG 84 1.018 3.479 -4.690 679 H LEU 85 H LEU 85 -1.526 2.806 -11.458 680 HA LEU 85 HA LEU 85 -1.923 0.029 -11.340 681 HB2 LEU 85 2HB LEU 85 -2.996 1.528 -9.780 682 HB3 LEU 85 1HB LEU 85 -3.888 2.304 -11.080 683 HG LEU 85 HG LEU 85 -4.229 -0.654 -10.985 684 HD11 LEU 85 1HD1 LEU 85 -5.357 1.075 -8.761 685 HD12 LEU 85 2HD1 LEU 85 -4.140 -0.187 -8.568 686 HD13 LEU 85 3HD1 LEU 85 -5.776 -0.611 -9.072 687 HD21 LEU 85 3HD2 LEU 85 -6.205 1.657 -11.041 688 HD22 LEU 85 1HD2 LEU 85 -6.588 -0.038 -11.339 689 HD23 LEU 85 2HD2 LEU 85 -5.559 0.842 -12.462 690 H ALA 86 H ALA 86 -3.097 2.480 -13.595 691 HA ALA 86 HA ALA 86 -4.699 0.575 -15.077 692 HB1 ALA 86 3HB ALA 86 -3.907 3.427 -15.692 693 HB2 ALA 86 1HB ALA 86 -5.406 2.909 -14.920 694 HB3 ALA 86 2HB ALA 86 -5.085 2.476 -16.600 695 H GLY 87 H GLY 87 -1.589 2.246 -15.494 696 HA2 GLY 87 2HA GLY 87 -1.139 0.937 -18.069 697 HA3 GLY 87 1HA GLY 87 -0.101 2.131 -17.302 698 H ASP 88 H ASP 88 1.217 1.455 -15.494 699 HA ASP 88 HA ASP 88 1.730 -1.458 -15.338 700 HB2 ASP 88 2HB ASP 88 3.716 0.741 -15.887 701 HB3 ASP 88 1HB ASP 88 4.197 -0.848 -15.288 702 H TYR 89 H TYR 89 0.937 -1.677 -13.320 703 HA TYR 89 HA TYR 89 1.194 0.057 -11.167 704 HB2 TYR 89 2HB TYR 89 1.020 -2.295 -9.858 705 HB3 TYR 89 1HB TYR 89 -0.351 -1.568 -10.679 706 HD1 TYR 89 HD2 TYR 89 -0.847 -2.228 -13.070 707 HD2 TYR 89 HD1 TYR 89 1.884 -4.426 -10.586 708 HE1 TYR 89 HE2 TYR 89 -1.008 -4.164 -14.603 709 HE2 TYR 89 HE1 TYR 89 1.727 -6.358 -12.126 710 HH TYR 89 HH TYR 89 1.139 -6.627 -14.675 711 H VAL 90 H VAL 90 2.655 -2.962 -10.454 712 HA VAL 90 HA VAL 90 5.359 -1.884 -10.431 713 HB VAL 90 HB VAL 90 5.648 -2.584 -8.046 714 HG11 VAL 90 1HG1 VAL 90 5.186 -0.209 -8.805 715 HG12 VAL 90 2HG1 VAL 90 4.703 -0.558 -7.147 716 HG13 VAL 90 3HG1 VAL 90 3.486 -0.494 -8.423 717 HG21 VAL 90 3HG2 VAL 90 2.612 -2.653 -8.083 718 HG22 VAL 90 1HG2 VAL 90 3.656 -2.935 -6.691 719 HG23 VAL 90 2HG2 VAL 90 3.636 -4.089 -8.025 720 H TYR 91 H TYR 91 6.971 -3.553 -9.891 721 HA TYR 91 HA TYR 91 6.021 -6.283 -10.577 722 HB2 TYR 91 2HB TYR 91 8.653 -5.001 -11.343 723 HB3 TYR 91 1HB TYR 91 8.113 -6.623 -11.771 724 HD1 TYR 91 HD2 TYR 91 5.605 -6.645 -12.832 725 HD2 TYR 91 HD1 TYR 91 8.378 -3.363 -12.986 726 HE1 TYR 91 HE2 TYR 91 4.422 -5.736 -14.809 727 HE2 TYR 91 HE1 TYR 91 7.193 -2.458 -14.962 728 HH TYR 91 HH TYR 91 4.201 -3.940 -16.151 729 H LEU 92 H LEU 92 6.850 -7.955 -9.428 730 HA LEU 92 HA LEU 92 8.711 -7.285 -7.217 731 HB2 LEU 92 2HB LEU 92 6.296 -7.722 -6.566 732 HB3 LEU 92 1HB LEU 92 6.532 -9.374 -7.096 733 HG LEU 92 HG LEU 92 8.397 -8.058 -5.104 734 HD11 LEU 92 1HD1 LEU 92 6.088 -7.894 -4.251 735 HD12 LEU 92 2HD1 LEU 92 7.074 -8.995 -3.291 736 HD13 LEU 92 3HD1 LEU 92 5.899 -9.637 -4.442 737 HD21 LEU 92 3HD2 LEU 92 7.914 -10.860 -6.083 738 HD22 LEU 92 1HD2 LEU 92 8.411 -10.643 -4.413 739 HD23 LEU 92 2HD2 LEU 92 9.426 -10.045 -5.713 740 H PHE 93 H PHE 93 10.534 -8.376 -7.224 741 HA PHE 93 HA PHE 93 10.640 -11.019 -8.574 742 HB2 PHE 93 2HB PHE 93 12.710 -8.811 -8.683 743 HB3 PHE 93 1HB PHE 93 12.906 -10.431 -9.350 744 HD1 PHE 93 HD2 PHE 93 11.204 -11.242 -11.091 745 HD2 PHE 93 HD1 PHE 93 11.619 -7.125 -9.937 746 HE1 PHE 93 HE2 PHE 93 10.039 -10.542 -13.166 747 HE2 PHE 93 HE1 PHE 93 10.456 -6.425 -12.013 748 HZ PHE 93 HZ PHE 93 9.668 -8.133 -13.627 749 H ASP 94 H ASP 94 12.208 -12.473 -7.763 750 HA ASP 94 HA ASP 94 12.527 -12.348 -4.912 751 HB2 ASP 94 2HB ASP 94 12.107 -14.475 -6.096 752 HB3 ASP 94 1HB ASP 94 13.664 -14.319 -6.907 753 H GLU 95 H GLU 95 14.820 -13.107 -4.079 754 HA GLU 95 HA GLU 95 16.538 -10.974 -4.146 755 HB2 GLU 95 2HB GLU 95 16.573 -13.120 -2.673 756 HB3 GLU 95 1HB GLU 95 17.618 -13.783 -3.927 757 HG2 GLU 95 2HG GLU 95 18.141 -11.171 -2.472 758 HG3 GLU 95 1HG GLU 95 18.887 -12.710 -2.056 759 H GLY 96 H GLY 96 17.059 -14.007 -5.976 760 HA2 GLY 96 2HA GLY 96 19.200 -13.012 -7.522 761 HA3 GLY 96 1HA GLY 96 18.222 -14.422 -7.917 762 H GLY 97 H GLY 97 15.728 -13.331 -8.251 763 HA2 GLY 97 2HA GLY 97 15.142 -11.078 -9.545 764 HA3 GLY 97 1HA GLY 97 16.055 -11.920 -10.791 765 H ASP 98 H ASP 98 14.883 -14.465 -9.360 766 HA ASP 98 HA ASP 98 12.840 -14.953 -11.264 767 HB2 ASP 98 2HB ASP 98 13.670 -16.372 -8.733 768 HB3 ASP 98 1HB ASP 98 12.360 -16.956 -9.755 769 H GLU 99 H GLU 99 10.625 -14.903 -11.105 770 HA GLU 99 HA GLU 99 9.514 -13.097 -9.157 771 HB2 GLU 99 2HB GLU 99 8.276 -14.763 -11.356 772 HB3 GLU 99 1HB GLU 99 7.357 -13.658 -10.333 773 HG2 GLU 99 2HG GLU 99 8.736 -11.779 -11.070 774 HG3 GLU 99 1HG GLU 99 9.743 -12.865 -12.028 775 H VAL 100 H VAL 100 9.846 -14.157 -7.160 776 HA VAL 100 HA VAL 100 7.767 -16.101 -6.516 777 HB VAL 100 HB VAL 100 10.708 -16.673 -6.060 778 HG11 VAL 100 1HG1 VAL 100 9.548 -17.403 -4.110 779 HG12 VAL 100 2HG1 VAL 100 9.718 -18.839 -5.116 780 HG13 VAL 100 3HG1 VAL 100 8.177 -17.986 -5.053 781 HG21 VAL 100 3HG2 VAL 100 10.120 -17.281 -8.295 782 HG22 VAL 100 1HG2 VAL 100 8.550 -17.907 -7.789 783 HG23 VAL 100 2HG2 VAL 100 10.022 -18.776 -7.363 784 H ILE 101 H ILE 101 7.000 -15.839 -4.472 785 HA ILE 101 HA ILE 101 7.690 -13.518 -3.016 786 HB ILE 101 HB ILE 101 6.147 -15.983 -2.172 787 HG12 ILE 101 2HG1 ILE 101 5.129 -13.262 -3.032 788 HG13 ILE 101 1HG1 ILE 101 5.312 -14.614 -4.152 789 HG21 ILE 101 1HG2 ILE 101 6.513 -13.262 -0.897 790 HG22 ILE 101 2HG2 ILE 101 6.818 -14.845 -0.178 791 HG23 ILE 101 3HG2 ILE 101 5.163 -14.327 -0.498 792 HD11 ILE 101 3HD1 ILE 101 2.995 -14.388 -3.175 793 HD12 ILE 101 1HD1 ILE 101 3.689 -14.767 -1.598 794 HD13 ILE 101 2HD1 ILE 101 3.750 -15.958 -2.897 795 H ALA 102 H ALA 102 9.148 -13.165 -1.449 796 HA ALA 102 HA ALA 102 10.265 -15.380 0.080 797 HB1 ALA 102 3HB ALA 102 11.657 -14.178 -2.197 798 HB2 ALA 102 1HB ALA 102 12.080 -15.619 -1.274 799 HB3 ALA 102 2HB ALA 102 12.598 -14.030 -0.718 800 HA PRO 103 HA PRO 103 10.561 -12.405 3.301 801 HB2 PRO 103 2HB PRO 103 13.057 -12.979 4.399 802 HB3 PRO 103 1HB PRO 103 11.597 -13.916 4.704 803 HG2 PRO 103 2HG PRO 103 13.815 -14.459 2.789 804 HG3 PRO 103 1HG PRO 103 12.920 -15.588 3.826 805 HD2 PRO 103 2HD PRO 103 12.390 -15.388 1.189 806 HD3 PRO 103 1HD PRO 103 11.095 -15.687 2.370 807 H ARG 104 H ARG 104 13.141 -12.551 0.954 808 HA ARG 104 HA ARG 104 13.776 -9.690 1.445 809 HB2 ARG 104 2HB ARG 104 15.614 -11.915 0.567 810 HB3 ARG 104 1HB ARG 104 16.056 -10.211 0.662 811 HG2 ARG 104 2HG ARG 104 16.061 -10.176 2.977 812 HG3 ARG 104 1HG ARG 104 14.834 -11.432 3.114 813 HD2 ARG 104 2HD ARG 104 16.916 -12.341 3.865 814 HD3 ARG 104 1HD ARG 104 16.523 -13.099 2.334 815 HE ARG 104 HE ARG 104 18.171 -10.778 1.967 816 HH11 ARG 104 1HH2 ARG 104 18.144 -14.113 2.884 817 HH12 ARG 104 2HH2 ARG 104 19.784 -14.402 2.404 818 HH21 ARG 104 1HH1 ARG 104 20.321 -11.150 1.328 819 HH22 ARG 104 2HH1 ARG 104 21.017 -12.724 1.525 820 H MET 105 H MET 105 11.780 -10.012 -0.204 821 HA MET 105 HA MET 105 12.824 -10.163 -2.963 822 HB2 MET 105 2HB MET 105 10.634 -10.613 -3.686 823 HB3 MET 105 1HB MET 105 10.758 -11.505 -2.174 824 HG2 MET 105 2HG MET 105 9.377 -8.842 -2.632 825 HG3 MET 105 1HG MET 105 8.647 -10.356 -2.116 826 HE1 MET 105 3HE MET 105 7.969 -8.679 1.024 827 HE2 MET 105 1HE MET 105 7.511 -8.857 -0.674 828 HE3 MET 105 2HE MET 105 8.378 -7.420 -0.138 829 H TYR 106 H TYR 106 12.604 -8.465 -4.383 830 HA TYR 106 HA TYR 106 12.127 -5.841 -3.139 831 HB2 TYR 106 2HB TYR 106 14.249 -6.133 -4.321 832 HB3 TYR 106 1HB TYR 106 13.382 -6.590 -5.788 833 HD1 TYR 106 HD1 TYR 106 13.278 -3.837 -3.212 834 HD2 TYR 106 HD2 TYR 106 13.086 -4.902 -7.377 835 HE1 TYR 106 HE1 TYR 106 13.049 -1.450 -3.815 836 HE2 TYR 106 HE2 TYR 106 12.862 -2.509 -7.976 837 HH TYR 106 HH TYR 106 13.654 -0.065 -6.101 838 H CYS 107 H CYS 107 10.344 -4.717 -3.534 839 HA CYS 107 HA CYS 107 8.684 -5.397 -5.896 840 HB2 CYS 107 2HB CYS 107 6.694 -5.017 -4.563 841 HB3 CYS 107 1HB CYS 107 7.687 -6.250 -3.787 842 HG CYS 107 HG CYS 107 8.353 -4.597 -1.961 843 H SER 108 H SER 108 8.795 -3.767 -7.254 844 HA SER 108 HA SER 108 7.903 -1.158 -6.537 845 HB2 SER 108 2HB SER 108 9.850 0.109 -6.503 846 HB3 SER 108 1HB SER 108 10.389 -1.357 -5.691 847 HG SER 108 HG SER 108 11.552 -0.355 -7.683 848 H PHE 109 H PHE 109 8.199 0.406 -8.404 849 HA PHE 109 HA PHE 109 7.300 -0.794 -10.800 850 HB2 PHE 109 2HB PHE 109 7.420 1.433 -11.755 851 HB3 PHE 109 1HB PHE 109 6.772 1.534 -10.119 852 HD1 PHE 109 HD2 PHE 109 8.247 2.253 -8.231 853 HD2 PHE 109 HD1 PHE 109 9.529 2.416 -12.327 854 HE1 PHE 109 HE2 PHE 109 10.093 3.779 -7.592 855 HE2 PHE 109 HE1 PHE 109 11.376 3.942 -11.689 856 HZ PHE 109 HZ PHE 109 11.658 4.624 -9.321 857 H SER 110 H SER 110 10.435 0.629 -9.919 858 HA SER 110 HA SER 110 11.706 0.253 -12.390 859 HB2 SER 110 2HB SER 110 12.727 0.441 -9.565 860 HB3 SER 110 1HB SER 110 13.824 0.196 -10.921 861 HG SER 110 HG SER 110 13.502 2.186 -11.526 862 H ALA 111 H ALA 111 12.930 -1.391 -13.241 863 HA ALA 111 HA ALA 111 12.212 -4.037 -12.391 864 HB1 ALA 111 3HB ALA 111 13.046 -2.849 -14.809 865 HB2 ALA 111 1HB ALA 111 12.643 -4.546 -14.557 866 HB3 ALA 111 2HB ALA 111 14.314 -4.002 -14.409 867 HA PRO 112 HA PRO 112 15.612 -5.468 -9.996 868 HB2 PRO 112 2HB PRO 112 16.596 -7.158 -12.275 869 HB3 PRO 112 1HB PRO 112 16.233 -7.627 -10.602 870 HG2 PRO 112 2HG PRO 112 14.577 -8.234 -12.599 871 HG3 PRO 112 1HG PRO 112 13.964 -7.777 -10.997 872 HD2 PRO 112 2HD PRO 112 13.989 -6.174 -13.526 873 HD3 PRO 112 1HD PRO 112 12.831 -6.155 -12.180 874 H ASP 113 H ASP 113 16.574 -4.871 -13.382 875 HA ASP 113 HA ASP 113 19.250 -4.042 -12.575 876 HB2 ASP 113 2HB ASP 113 19.622 -3.752 -15.007 877 HB3 ASP 113 1HB ASP 113 19.046 -5.367 -14.600 878 H ASP 114 H ASP 114 16.270 -2.649 -13.698 879 HA ASP 114 HA ASP 114 15.562 -0.473 -13.951 880 HB2 ASP 114 2HB ASP 114 15.970 -0.543 -11.508 881 HB3 ASP 114 1HB ASP 114 17.620 0.007 -11.784 Start of MODEL 20 1 HA2 GLY 1 2HA GLY 1 12.119 -46.852 28.232 2 HA3 GLY 1 1HA GLY 1 11.899 -46.780 29.981 3 H LYS 2 H LYS 2 12.874 -44.989 27.130 4 HA LYS 2 HA LYS 2 13.475 -42.556 28.499 5 HB2 LYS 2 2HB LYS 2 14.152 -43.332 26.095 6 HB3 LYS 2 1HB LYS 2 12.582 -42.684 25.621 7 HG2 LYS 2 2HG LYS 2 13.907 -40.783 25.355 8 HG3 LYS 2 1HG LYS 2 13.380 -40.567 27.024 9 HD2 LYS 2 2HD LYS 2 15.464 -41.593 27.838 10 HD3 LYS 2 1HD LYS 2 15.985 -41.873 26.176 11 HE2 LYS 2 2HE LYS 2 15.338 -39.134 27.284 12 HE3 LYS 2 1HE LYS 2 16.967 -39.812 27.243 13 HZ1 LYS 2 3HZ LYS 2 15.217 -39.071 24.988 14 HZ2 LYS 2 1HZ LYS 2 16.460 -40.206 24.777 15 HZ3 LYS 2 2HZ LYS 2 16.830 -38.626 25.280 16 H LYS 3 H LYS 3 11.846 -41.848 29.797 17 HA LYS 3 HA LYS 3 9.099 -41.930 29.205 18 HB2 LYS 3 2HB LYS 3 10.052 -41.545 31.473 19 HB3 LYS 3 1HB LYS 3 10.542 -39.931 30.958 20 HG2 LYS 3 2HG LYS 3 8.212 -39.332 30.502 21 HG3 LYS 3 1HG LYS 3 7.692 -40.963 30.931 22 HD2 LYS 3 2HD LYS 3 8.558 -40.641 33.218 23 HD3 LYS 3 1HD LYS 3 9.064 -39.005 32.795 24 HE2 LYS 3 2HE LYS 3 6.748 -38.374 32.334 25 HE3 LYS 3 1HE LYS 3 6.209 -40.021 32.659 26 HZ1 LYS 3 3HZ LYS 3 5.964 -38.418 34.546 27 HZ2 LYS 3 1HZ LYS 3 7.656 -38.364 34.648 28 HZ3 LYS 3 2HZ LYS 3 6.835 -39.828 34.914 29 H VAL 4 H VAL 4 11.480 -39.319 28.781 30 HA VAL 4 HA VAL 4 9.549 -37.565 27.539 31 HB VAL 4 HB VAL 4 11.406 -36.648 28.852 32 HG11 VAL 4 1HG1 VAL 4 13.250 -37.588 26.648 33 HG12 VAL 4 2HG1 VAL 4 12.990 -38.533 28.116 34 HG13 VAL 4 3HG1 VAL 4 13.685 -36.916 28.220 35 HG21 VAL 4 3HG2 VAL 4 11.981 -34.892 27.346 36 HG22 VAL 4 1HG2 VAL 4 10.404 -35.463 26.800 37 HG23 VAL 4 2HG2 VAL 4 11.865 -35.953 25.944 38 H GLU 5 H GLU 5 9.163 -37.280 25.416 39 HA GLU 5 HA GLU 5 9.589 -39.169 23.499 40 HB2 GLU 5 2HB GLU 5 9.413 -36.169 23.143 41 HB3 GLU 5 1HB GLU 5 9.311 -37.323 21.814 42 HG2 GLU 5 2HG GLU 5 7.360 -38.382 22.835 43 HG3 GLU 5 1HG GLU 5 7.483 -37.313 24.233 44 H PHE 6 H PHE 6 11.054 -39.463 21.775 45 HA PHE 6 HA PHE 6 13.796 -39.021 22.469 46 HB2 PHE 6 2HB PHE 6 12.476 -40.118 19.981 47 HB3 PHE 6 1HB PHE 6 14.223 -40.049 20.206 48 HD1 PHE 6 HD2 PHE 6 15.302 -41.330 22.052 49 HD2 PHE 6 HD1 PHE 6 11.124 -41.735 21.139 50 HE1 PHE 6 HE2 PHE 6 15.216 -43.432 23.368 51 HE2 PHE 6 HE1 PHE 6 11.040 -43.834 22.454 52 HZ PHE 6 HZ PHE 6 13.086 -44.683 23.569 53 H ASN 7 H ASN 7 11.898 -37.981 19.630 54 HA ASN 7 HA ASN 7 12.625 -35.287 19.683 55 HB2 ASN 7 2HB ASN 7 14.305 -35.385 17.721 56 HB3 ASN 7 1HB ASN 7 14.907 -35.765 19.331 57 HD21 ASN 7 1HD2 ASN 7 16.608 -36.990 17.977 58 HD22 ASN 7 2HD2 ASN 7 16.234 -38.581 17.519 59 H ASP 8 H ASP 8 10.937 -34.496 18.617 60 HA ASP 8 HA ASP 8 10.381 -35.402 15.892 61 HB2 ASP 8 2HB ASP 8 7.943 -35.649 16.416 62 HB3 ASP 8 1HB ASP 8 8.957 -36.891 17.148 63 H LYS 9 H LYS 9 8.809 -33.475 18.457 64 HA LYS 9 HA LYS 9 7.782 -31.527 16.803 65 HB2 LYS 9 2HB LYS 9 7.882 -30.048 18.899 66 HB3 LYS 9 1HB LYS 9 6.986 -31.563 19.023 67 HG2 LYS 9 2HG LYS 9 8.946 -32.654 20.029 68 HG3 LYS 9 1HG LYS 9 9.861 -31.153 19.888 69 HD2 LYS 9 2HD LYS 9 8.063 -30.049 21.293 70 HD3 LYS 9 1HD LYS 9 7.414 -31.663 21.593 71 HE2 LYS 9 2HE LYS 9 10.244 -30.775 22.224 72 HE3 LYS 9 1HE LYS 9 8.946 -30.955 23.404 73 HZ1 LYS 9 3HZ LYS 9 10.549 -32.895 23.084 74 HZ2 LYS 9 1HZ LYS 9 9.723 -33.185 21.632 75 HZ3 LYS 9 2HZ LYS 9 8.886 -33.243 23.108 76 HA PRO 10 HA PRO 10 11.335 -29.185 15.531 77 HB2 PRO 10 2HB PRO 10 10.175 -26.726 15.097 78 HB3 PRO 10 1HB PRO 10 9.960 -28.112 14.008 79 HG2 PRO 10 2HG PRO 10 8.120 -27.068 16.121 80 HG3 PRO 10 1HG PRO 10 7.743 -27.690 14.504 81 HD2 PRO 10 2HD PRO 10 7.429 -29.181 16.771 82 HD3 PRO 10 1HD PRO 10 7.811 -29.893 15.189 83 H LYS 11 H LYS 11 12.872 -28.718 17.005 84 HA LYS 11 HA LYS 11 13.778 -27.967 19.027 85 HB2 LYS 11 2HB LYS 11 12.846 -25.490 17.577 86 HB3 LYS 11 1HB LYS 11 13.959 -25.462 18.945 87 HG2 LYS 11 2HG LYS 11 15.431 -27.070 17.642 88 HG3 LYS 11 1HG LYS 11 14.385 -26.777 16.252 89 HD2 LYS 11 2HD LYS 11 15.781 -24.567 17.786 90 HD3 LYS 11 1HD LYS 11 16.451 -25.317 16.339 91 HE2 LYS 11 2HE LYS 11 14.236 -24.715 15.188 92 HE3 LYS 11 1HE LYS 11 13.911 -23.696 16.589 93 HZ1 LYS 11 3HZ LYS 11 15.253 -22.157 15.795 94 HZ2 LYS 11 1HZ LYS 11 15.439 -23.070 14.379 95 HZ3 LYS 11 2HZ LYS 11 16.538 -23.261 15.661 96 H VAL 12 H VAL 12 12.103 -25.089 19.338 97 HA VAL 12 HA VAL 12 10.162 -26.204 21.279 98 HB VAL 12 HB VAL 12 10.730 -24.424 22.857 99 HG11 VAL 12 1HG1 VAL 12 12.773 -25.379 23.653 100 HG12 VAL 12 2HG1 VAL 12 13.268 -25.848 22.026 101 HG13 VAL 12 3HG1 VAL 12 11.929 -26.681 22.815 102 HG21 VAL 12 3HG2 VAL 12 11.526 -22.684 21.411 103 HG22 VAL 12 1HG2 VAL 12 12.773 -23.729 20.730 104 HG23 VAL 12 2HG2 VAL 12 12.905 -23.166 22.397 105 H ARG 13 H ARG 13 10.184 -24.909 18.476 106 HA ARG 13 HA ARG 13 7.961 -23.043 19.043 107 HB2 ARG 13 2HB ARG 13 10.015 -21.706 18.650 108 HB3 ARG 13 1HB ARG 13 10.194 -22.481 17.076 109 HG2 ARG 13 2HG ARG 13 8.019 -21.606 16.365 110 HG3 ARG 13 1HG ARG 13 7.769 -20.887 17.954 111 HD2 ARG 13 2HD ARG 13 10.071 -20.200 16.113 112 HD3 ARG 13 1HD ARG 13 8.596 -19.249 16.254 113 HE ARG 13 HE ARG 13 9.683 -19.596 18.831 114 HH11 ARG 13 1HH2 ARG 13 10.351 -18.057 15.804 115 HH12 ARG 13 2HH2 ARG 13 11.255 -16.758 16.507 116 HH21 ARG 13 1HH1 ARG 13 10.870 -17.896 19.760 117 HH22 ARG 13 2HH1 ARG 13 11.548 -16.666 18.747 118 H LYS 14 H LYS 14 6.269 -23.233 17.689 119 HA LYS 14 HA LYS 14 6.114 -25.509 15.980 120 HB2 LYS 14 2HB LYS 14 4.263 -23.144 16.351 121 HB3 LYS 14 1HB LYS 14 3.880 -24.558 15.367 122 HG2 LYS 14 2HG LYS 14 4.175 -26.014 17.341 123 HG3 LYS 14 1HG LYS 14 4.549 -24.597 18.325 124 HD2 LYS 14 2HD LYS 14 2.322 -23.664 17.852 125 HD3 LYS 14 1HD LYS 14 1.943 -25.062 16.846 126 HE2 LYS 14 2HE LYS 14 2.213 -26.549 18.791 127 HE3 LYS 14 1HE LYS 14 2.612 -25.160 19.803 128 HZ1 LYS 14 3HZ LYS 14 0.213 -25.996 19.794 129 HZ2 LYS 14 1HZ LYS 14 0.091 -25.257 18.270 130 HZ3 LYS 14 2HZ LYS 14 0.469 -24.323 19.639 131 H ILE 15 H ILE 15 6.119 -25.667 13.769 132 HA ILE 15 HA ILE 15 7.135 -23.311 12.320 133 HB ILE 15 HB ILE 15 7.444 -26.197 11.561 134 HG12 ILE 15 2HG1 ILE 15 9.255 -24.215 12.985 135 HG13 ILE 15 1HG1 ILE 15 8.691 -25.772 13.589 136 HG21 ILE 15 1HG2 ILE 15 8.901 -23.728 10.556 137 HG22 ILE 15 2HG2 ILE 15 7.482 -24.380 9.736 138 HG23 ILE 15 3HG2 ILE 15 8.943 -25.349 9.873 139 HD11 ILE 15 3HD1 ILE 15 9.872 -26.807 11.562 140 HD12 ILE 15 1HD1 ILE 15 10.914 -26.172 12.834 141 HD13 ILE 15 2HD1 ILE 15 10.653 -25.240 11.360 142 HA PRO 16 HA PRO 16 2.983 -23.960 10.476 143 HB2 PRO 16 2HB PRO 16 2.501 -21.350 9.847 144 HB3 PRO 16 1HB PRO 16 2.278 -21.995 11.486 145 HG2 PRO 16 2HG PRO 16 4.516 -20.364 10.382 146 HG3 PRO 16 1HG PRO 16 3.774 -20.319 11.989 147 HD2 PRO 16 2HD PRO 16 6.169 -21.590 11.383 148 HD3 PRO 16 1HD PRO 16 5.160 -21.964 12.801 149 H SER 17 H SER 17 2.232 -23.904 8.316 150 HA SER 17 HA SER 17 4.288 -24.048 6.323 151 HB2 SER 17 2HB SER 17 2.265 -25.483 6.279 152 HB3 SER 17 1HB SER 17 1.279 -24.055 5.981 153 HG SER 17 HG SER 17 3.483 -24.807 4.362 154 H THR 18 H THR 18 2.673 -21.471 7.694 155 HA THR 18 HA THR 18 3.207 -19.757 5.327 156 HB THR 18 HB THR 18 0.825 -19.978 5.487 157 HG1 THR 18 HG1 THR 18 0.326 -17.819 5.839 158 HG21 THR 18 3HG2 THR 18 -0.398 -19.503 7.540 159 HG22 THR 18 1HG2 THR 18 1.110 -19.160 8.384 160 HG23 THR 18 2HG2 THR 18 0.764 -20.796 7.825 161 H ARG 19 H ARG 19 3.333 -17.405 5.986 162 HA ARG 19 HA ARG 19 4.346 -16.969 8.706 163 HB2 ARG 19 2HB ARG 19 6.455 -16.011 7.880 164 HB3 ARG 19 1HB ARG 19 6.322 -17.716 7.442 165 HG2 ARG 19 2HG ARG 19 5.465 -17.026 5.196 166 HG3 ARG 19 1HG ARG 19 5.743 -15.343 5.642 167 HD2 ARG 19 2HD ARG 19 7.895 -17.474 5.641 168 HD3 ARG 19 1HD ARG 19 7.621 -16.345 4.316 169 HE ARG 19 HE ARG 19 7.911 -14.851 6.676 170 HH11 ARG 19 1HH2 ARG 19 9.713 -16.968 4.614 171 HH12 ARG 19 2HH2 ARG 19 11.241 -16.231 4.964 172 HH21 ARG 19 1HH1 ARG 19 9.913 -13.880 7.136 173 HH22 ARG 19 2HH1 ARG 19 11.353 -14.483 6.392 174 H LYS 20 H LYS 20 4.697 -14.703 9.167 175 HA LYS 20 HA LYS 20 2.856 -12.984 7.611 176 HB2 LYS 20 2HB LYS 20 3.965 -12.709 10.413 177 HB3 LYS 20 1HB LYS 20 2.931 -11.519 9.623 178 HG2 LYS 20 2HG LYS 20 1.166 -13.209 9.349 179 HG3 LYS 20 1HG LYS 20 2.195 -14.417 10.120 180 HD2 LYS 20 2HD LYS 20 2.242 -13.066 12.181 181 HD3 LYS 20 1HD LYS 20 1.216 -11.854 11.410 182 HE2 LYS 20 2HE LYS 20 -0.562 -13.537 11.123 183 HE3 LYS 20 1HE LYS 20 0.461 -14.753 11.886 184 HZ1 LYS 20 3HZ LYS 20 -0.854 -13.986 13.611 185 HZ2 LYS 20 1HZ LYS 20 -0.796 -12.373 13.091 186 HZ3 LYS 20 2HZ LYS 20 0.572 -13.083 13.805 187 H ILE 21 H ILE 21 3.508 -11.079 6.733 188 HA ILE 21 HA ILE 21 6.432 -10.594 6.646 189 HB ILE 21 HB ILE 21 5.450 -11.051 4.466 190 HG12 ILE 21 2HG1 ILE 21 5.888 -8.066 4.692 191 HG13 ILE 21 1HG1 ILE 21 7.206 -9.232 4.788 192 HG21 ILE 21 1HG2 ILE 21 3.673 -8.641 4.900 193 HG22 ILE 21 2HG2 ILE 21 3.131 -10.298 5.178 194 HG23 ILE 21 3HG2 ILE 21 3.627 -9.792 3.564 195 HD11 ILE 21 3HD1 ILE 21 5.258 -9.115 2.480 196 HD12 ILE 21 1HD1 ILE 21 6.767 -10.024 2.567 197 HD13 ILE 21 2HD1 ILE 21 6.803 -8.260 2.489 198 H LYS 22 H LYS 22 7.224 -8.824 7.528 199 HA LYS 22 HA LYS 22 5.398 -6.562 8.161 200 HB2 LYS 22 2HB LYS 22 7.707 -7.688 9.758 201 HB3 LYS 22 1HB LYS 22 6.952 -6.126 10.088 202 HG2 LYS 22 2HG LYS 22 4.768 -7.220 10.395 203 HG3 LYS 22 1HG LYS 22 5.495 -8.787 10.039 204 HD2 LYS 22 2HD LYS 22 6.946 -8.603 11.993 205 HD3 LYS 22 1HD LYS 22 6.331 -6.984 12.330 206 HE2 LYS 22 2HE LYS 22 4.080 -7.889 12.683 207 HE3 LYS 22 1HE LYS 22 4.654 -9.514 12.300 208 HZ1 LYS 22 3HZ LYS 22 6.167 -9.375 14.185 209 HZ2 LYS 22 1HZ LYS 22 4.559 -9.156 14.684 210 HZ3 LYS 22 2HZ LYS 22 5.595 -7.817 14.550 211 H ILE 23 H ILE 23 7.412 -7.293 5.911 212 HA ILE 23 HA ILE 23 9.144 -4.901 6.119 213 HB ILE 23 HB ILE 23 9.369 -7.326 4.334 214 HG12 ILE 23 2HG1 ILE 23 11.354 -6.557 6.481 215 HG13 ILE 23 1HG1 ILE 23 9.876 -7.388 6.963 216 HG21 ILE 23 1HG2 ILE 23 10.333 -5.458 3.189 217 HG22 ILE 23 2HG2 ILE 23 11.685 -6.300 3.946 218 HG23 ILE 23 3HG2 ILE 23 11.046 -4.827 4.674 219 HD11 ILE 23 3HD1 ILE 23 11.572 -8.449 4.706 220 HD12 ILE 23 1HD1 ILE 23 10.384 -9.297 5.700 221 HD13 ILE 23 2HD1 ILE 23 11.938 -8.834 6.389 222 H THR 24 H THR 24 8.869 -3.230 4.813 223 HA THR 24 HA THR 24 7.351 -3.564 2.310 224 HB THR 24 HB THR 24 6.709 -1.461 4.389 225 HG1 THR 24 HG1 THR 24 4.649 -2.955 3.727 226 HG21 THR 24 3HG2 THR 24 6.347 -0.515 2.244 227 HG22 THR 24 1HG2 THR 24 4.766 -1.109 2.745 228 HG23 THR 24 2HG2 THR 24 5.728 -2.031 1.591 229 H PHE 25 H PHE 25 7.896 -2.124 0.702 230 HA PHE 25 HA PHE 25 10.453 -0.776 1.059 231 HB2 PHE 25 2HB PHE 25 10.008 -2.093 -0.980 232 HB3 PHE 25 1HB PHE 25 8.673 -1.012 -1.381 233 HD1 PHE 25 HD1 PHE 25 12.350 -1.129 -0.786 234 HD2 PHE 25 HD2 PHE 25 9.061 1.077 -2.453 235 HE1 PHE 25 HE1 PHE 25 13.945 0.436 -1.861 236 HE2 PHE 25 HE2 PHE 25 10.657 2.641 -3.527 237 HZ PHE 25 HZ PHE 25 13.100 2.320 -3.231 238 H ALA 26 H ALA 26 10.505 1.221 1.848 239 HA ALA 26 HA ALA 26 8.510 3.198 0.900 240 HB1 ALA 26 3HB ALA 26 7.709 2.695 3.070 241 HB2 ALA 26 1HB ALA 26 8.648 4.175 3.259 242 HB3 ALA 26 2HB ALA 26 9.338 2.627 3.745 243 H LEU 27 H LEU 27 9.290 5.218 0.529 244 HA LEU 27 HA LEU 27 12.213 5.498 0.507 245 HB2 LEU 27 2HB LEU 27 10.070 7.295 -0.656 246 HB3 LEU 27 1HB LEU 27 11.806 7.418 -0.942 247 HG LEU 27 HG LEU 27 10.092 5.020 -1.659 248 HD11 LEU 27 1HD1 LEU 27 11.384 7.083 -3.466 249 HD12 LEU 27 2HD1 LEU 27 9.672 7.073 -3.039 250 HD13 LEU 27 3HD1 LEU 27 10.361 5.738 -3.964 251 HD21 LEU 27 3HD2 LEU 27 12.301 4.591 -3.053 252 HD22 LEU 27 1HD2 LEU 27 12.239 4.139 -1.352 253 HD23 LEU 27 2HD2 LEU 27 13.042 5.632 -1.836 254 H ASP 28 H ASP 28 9.774 8.013 0.978 255 HA ASP 28 HA ASP 28 11.425 9.241 3.027 256 HB2 ASP 28 2HB ASP 28 8.846 10.002 1.676 257 HB3 ASP 28 1HB ASP 28 9.485 10.922 3.034 258 H ALA 29 H ALA 29 10.312 10.063 5.040 259 HA ALA 29 HA ALA 29 9.395 7.863 6.564 260 HB1 ALA 29 3HB ALA 29 10.603 9.937 7.411 261 HB2 ALA 29 1HB ALA 29 9.241 9.381 8.385 262 HB3 ALA 29 2HB ALA 29 9.048 10.765 7.312 263 H THR 30 H THR 30 7.742 10.545 4.988 264 HA THR 30 HA THR 30 5.203 10.285 6.121 265 HB THR 30 HB THR 30 5.237 12.143 4.757 266 HG1 THR 30 HG1 THR 30 3.731 10.348 3.872 267 HG21 THR 30 3HG2 THR 30 7.411 11.999 3.862 268 HG22 THR 30 1HG2 THR 30 6.382 12.005 2.431 269 HG23 THR 30 2HG2 THR 30 7.059 10.490 3.023 270 H PHE 31 H PHE 31 6.329 8.860 3.039 271 HA PHE 31 HA PHE 31 4.043 7.224 2.689 272 HB2 PHE 31 2HB PHE 31 6.767 6.607 1.560 273 HB3 PHE 31 1HB PHE 31 5.185 6.275 0.857 274 HD1 PHE 31 HD2 PHE 31 3.664 8.623 0.871 275 HD2 PHE 31 HD1 PHE 31 7.921 8.286 0.413 276 HE1 PHE 31 HE2 PHE 31 3.716 10.801 -0.294 277 HE2 PHE 31 HE1 PHE 31 7.966 10.475 -0.748 278 HZ PHE 31 HZ PHE 31 5.860 11.734 -1.101 279 H ASP 32 H ASP 32 6.916 6.901 4.570 280 HA ASP 32 HA ASP 32 6.929 4.055 4.812 281 HB2 ASP 32 2HB ASP 32 8.850 5.602 5.361 282 HB3 ASP 32 1HB ASP 32 7.977 6.041 6.826 283 H SER 33 H SER 33 5.604 6.656 6.843 284 HA SER 33 HA SER 33 4.505 4.877 8.793 285 HB2 SER 33 2HB SER 33 3.307 6.886 9.598 286 HB3 SER 33 1HB SER 33 5.023 7.197 9.353 287 HG SER 33 HG SER 33 2.839 8.254 8.097 288 H VAL 34 H VAL 34 3.241 6.509 5.913 289 HA VAL 34 HA VAL 34 0.520 5.854 6.277 290 HB VAL 34 HB VAL 34 2.129 6.336 3.759 291 HG11 VAL 34 1HG1 VAL 34 -0.201 6.833 2.812 292 HG12 VAL 34 2HG1 VAL 34 -0.838 5.975 4.215 293 HG13 VAL 34 3HG1 VAL 34 0.193 5.133 3.059 294 HG21 VAL 34 3HG2 VAL 34 0.132 8.151 5.123 295 HG22 VAL 34 1HG2 VAL 34 1.339 8.577 3.913 296 HG23 VAL 34 2HG2 VAL 34 1.842 8.164 5.552 297 H LEU 35 H LEU 35 3.094 4.180 4.475 298 HA LEU 35 HA LEU 35 1.465 2.004 3.674 299 HB2 LEU 35 2HB LEU 35 4.392 2.596 3.737 300 HB3 LEU 35 1HB LEU 35 3.933 0.908 3.568 301 HG LEU 35 HG LEU 35 4.263 2.201 1.389 302 HD11 LEU 35 1HD1 LEU 35 2.789 0.062 1.810 303 HD12 LEU 35 2HD1 LEU 35 2.601 0.942 0.300 304 HD13 LEU 35 3HD1 LEU 35 1.436 1.166 1.592 305 HD21 LEU 35 3HD2 LEU 35 2.901 4.222 2.444 306 HD22 LEU 35 1HD2 LEU 35 1.502 3.344 1.837 307 HD23 LEU 35 2HD2 LEU 35 2.762 3.874 0.731 308 H SER 36 H SER 36 3.607 2.480 6.415 309 HA SER 36 HA SER 36 3.394 -0.133 7.447 310 HB2 SER 36 2HB SER 36 5.118 1.216 8.337 311 HB3 SER 36 1HB SER 36 4.014 2.542 8.692 312 HG SER 36 HG SER 36 3.412 1.565 10.474 313 H LYS 37 H LYS 37 1.555 2.829 8.181 314 HA LYS 37 HA LYS 37 -0.139 1.696 10.125 315 HB2 LYS 37 2HB LYS 37 0.151 4.145 9.725 316 HB3 LYS 37 1HB LYS 37 -0.780 3.974 8.236 317 HG2 LYS 37 2HG LYS 37 -2.711 3.155 9.504 318 HG3 LYS 37 1HG LYS 37 -1.782 3.233 11.002 319 HD2 LYS 37 2HD LYS 37 -1.509 5.675 10.698 320 HD3 LYS 37 1HD LYS 37 -2.473 5.589 9.223 321 HE2 LYS 37 2HE LYS 37 -3.437 4.785 11.982 322 HE3 LYS 37 1HE LYS 37 -3.845 6.292 11.163 323 HZ1 LYS 37 3HZ LYS 37 -5.609 4.835 10.731 324 HZ2 LYS 37 1HZ LYS 37 -4.577 3.534 10.385 325 HZ3 LYS 37 2HZ LYS 37 -4.689 4.837 9.302 326 H ALA 38 H ALA 38 -0.555 2.116 6.623 327 HA ALA 38 HA ALA 38 -3.157 0.982 6.503 328 HB1 ALA 38 3HB ALA 38 -2.603 0.718 4.044 329 HB2 ALA 38 1HB ALA 38 -1.009 1.374 4.416 330 HB3 ALA 38 2HB ALA 38 -2.449 2.356 4.678 331 H CYS 39 H CYS 39 0.003 -0.360 6.756 332 HA CYS 39 HA CYS 39 -1.055 -3.021 7.009 333 HB2 CYS 39 2HB CYS 39 -1.011 -3.043 4.622 334 HB3 CYS 39 1HB CYS 39 0.586 -2.300 4.578 335 HG CYS 39 HG CYS 39 0.187 -5.166 5.777 336 H SER 40 H SER 40 0.006 -2.500 9.067 337 HA SER 40 HA SER 40 2.907 -2.327 9.103 338 HB2 SER 40 2HB SER 40 2.603 -2.390 11.574 339 HB3 SER 40 1HB SER 40 1.666 -1.114 10.811 340 HG SER 40 HG SER 40 -0.122 -2.592 10.840 341 H GLU 41 H GLU 41 0.673 -4.786 8.743 342 HA GLU 41 HA GLU 41 2.637 -6.838 8.956 343 HB2 GLU 41 2HB GLU 41 2.201 -6.465 11.375 344 HB3 GLU 41 1HB GLU 41 0.502 -6.843 11.099 345 HG2 GLU 41 2HG GLU 41 1.105 -9.084 10.294 346 HG3 GLU 41 1HG GLU 41 2.815 -8.710 10.506 347 H PHE 42 H PHE 42 2.070 -8.374 7.555 348 HA PHE 42 HA PHE 42 -0.823 -8.816 7.021 349 HB2 PHE 42 2HB PHE 42 0.456 -7.462 5.234 350 HB3 PHE 42 1HB PHE 42 1.279 -8.973 4.865 351 HD1 PHE 42 HD2 PHE 42 -0.033 -10.970 4.130 352 HD2 PHE 42 HD1 PHE 42 -1.832 -7.108 4.620 353 HE1 PHE 42 HE2 PHE 42 -1.983 -11.717 2.795 354 HE2 PHE 42 HE1 PHE 42 -3.789 -7.849 3.289 355 HZ PHE 42 HZ PHE 42 -3.863 -10.158 2.379 356 H GLU 43 H GLU 43 -1.325 -10.913 6.164 357 HA GLU 43 HA GLU 43 0.582 -12.995 7.097 358 HB2 GLU 43 2HB GLU 43 -1.611 -14.413 7.050 359 HB3 GLU 43 1HB GLU 43 -1.350 -13.281 8.375 360 HG2 GLU 43 2HG GLU 43 -2.803 -12.427 5.869 361 HG3 GLU 43 1HG GLU 43 -3.653 -13.235 7.182 362 H VAL 44 H VAL 44 1.629 -13.978 5.521 363 HA VAL 44 HA VAL 44 0.210 -14.475 2.949 364 HB VAL 44 HB VAL 44 2.478 -14.401 1.903 365 HG11 VAL 44 1HG1 VAL 44 2.515 -12.053 1.703 366 HG12 VAL 44 2HG1 VAL 44 1.980 -11.807 3.362 367 HG13 VAL 44 3HG1 VAL 44 0.843 -12.390 2.147 368 HG21 VAL 44 3HG2 VAL 44 3.248 -13.488 4.692 369 HG22 VAL 44 1HG2 VAL 44 4.261 -13.223 3.275 370 HG23 VAL 44 2HG2 VAL 44 3.897 -14.863 3.802 371 H ASP 45 H ASP 45 0.017 -16.517 2.350 372 HA ASP 45 HA ASP 45 1.632 -18.569 3.771 373 HB2 ASP 45 2HB ASP 45 -0.251 -20.102 3.267 374 HB3 ASP 45 1HB ASP 45 -0.722 -18.760 4.309 375 H LYS 46 H LYS 46 1.862 -20.611 2.444 376 HA LYS 46 HA LYS 46 3.367 -20.159 0.157 377 HB2 LYS 46 2HB LYS 46 1.843 -22.601 1.063 378 HB3 LYS 46 1HB LYS 46 2.921 -22.602 -0.334 379 HG2 LYS 46 2HG LYS 46 4.805 -21.952 1.042 380 HG3 LYS 46 1HG LYS 46 3.763 -21.729 2.442 381 HD2 LYS 46 2HD LYS 46 4.746 -23.873 2.763 382 HD3 LYS 46 1HD LYS 46 3.124 -24.210 2.160 383 HE2 LYS 46 2HE LYS 46 3.940 -24.657 -0.048 384 HE3 LYS 46 1HE LYS 46 5.537 -24.020 0.338 385 HZ1 LYS 46 3HZ LYS 46 5.356 -25.875 2.185 386 HZ2 LYS 46 1HZ LYS 46 5.943 -26.203 0.629 387 HZ3 LYS 46 2HZ LYS 46 4.334 -26.580 1.026 388 H ASP 47 H ASP 47 2.226 -18.682 -1.166 389 HA ASP 47 HA ASP 47 0.955 -19.672 -3.392 390 HB2 ASP 47 2HB ASP 47 -1.473 -18.827 -2.812 391 HB3 ASP 47 1HB ASP 47 -0.978 -20.441 -2.319 392 H VAL 48 H VAL 48 1.306 -17.081 -1.097 393 HA VAL 48 HA VAL 48 0.395 -15.001 -2.862 394 HB VAL 48 HB VAL 48 2.147 -14.722 -0.414 395 HG11 VAL 48 1HG1 VAL 48 0.087 -12.801 -1.507 396 HG12 VAL 48 2HG1 VAL 48 1.766 -12.759 -2.043 397 HG13 VAL 48 3HG1 VAL 48 1.372 -12.480 -0.348 398 HG21 VAL 48 3HG2 VAL 48 -0.167 -14.249 0.666 399 HG22 VAL 48 1HG2 VAL 48 0.272 -15.932 0.379 400 HG23 VAL 48 2HG2 VAL 48 -0.834 -15.109 -0.720 401 H THR 49 H THR 49 1.509 -13.961 -4.382 402 HA THR 49 HA THR 49 4.467 -14.273 -4.458 403 HB THR 49 HB THR 49 4.426 -14.635 -6.761 404 HG1 THR 49 HG1 THR 49 2.564 -14.189 -8.006 405 HG21 THR 49 3HG2 THR 49 1.837 -15.900 -5.814 406 HG22 THR 49 1HG2 THR 49 3.444 -16.542 -5.471 407 HG23 THR 49 2HG2 THR 49 2.862 -16.465 -7.135 408 H LEU 50 H LEU 50 5.606 -12.542 -5.476 409 HA LEU 50 HA LEU 50 5.238 -10.042 -4.559 410 HB2 LEU 50 2HB LEU 50 6.314 -9.221 -6.755 411 HB3 LEU 50 1HB LEU 50 7.213 -10.383 -5.781 412 HG LEU 50 HG LEU 50 5.350 -11.633 -7.756 413 HD11 LEU 50 1HD1 LEU 50 6.882 -11.236 -9.660 414 HD12 LEU 50 2HD1 LEU 50 7.777 -10.076 -8.673 415 HD13 LEU 50 3HD1 LEU 50 6.099 -9.753 -9.106 416 HD21 LEU 50 3HD2 LEU 50 8.318 -12.082 -7.402 417 HD22 LEU 50 1HD2 LEU 50 7.092 -13.227 -7.939 418 HD23 LEU 50 2HD2 LEU 50 7.153 -12.725 -6.250 419 H ASP 51 H ASP 51 3.643 -11.382 -7.426 420 HA ASP 51 HA ASP 51 2.374 -9.007 -8.281 421 HB2 ASP 51 2HB ASP 51 1.706 -11.930 -8.646 422 HB3 ASP 51 1HB ASP 51 0.753 -10.639 -9.377 423 H GLU 52 H GLU 52 1.292 -11.639 -6.144 424 HA GLU 52 HA GLU 52 -1.285 -10.550 -5.642 425 HB2 GLU 52 2HB GLU 52 -0.603 -12.940 -5.249 426 HB3 GLU 52 1HB GLU 52 0.298 -12.387 -3.837 427 HG2 GLU 52 2HG GLU 52 -1.856 -13.095 -3.045 428 HG3 GLU 52 1HG GLU 52 -1.859 -11.334 -3.004 429 H LEU 53 H LEU 53 1.852 -10.237 -4.046 430 HA LEU 53 HA LEU 53 0.958 -8.863 -1.754 431 HB2 LEU 53 2HB LEU 53 3.561 -9.190 -3.176 432 HB3 LEU 53 1HB LEU 53 3.459 -7.890 -1.991 433 HG LEU 53 HG LEU 53 2.465 -10.639 -1.242 434 HD11 LEU 53 1HD1 LEU 53 4.640 -11.158 -2.096 435 HD12 LEU 53 2HD1 LEU 53 4.790 -11.071 -0.340 436 HD13 LEU 53 3HD1 LEU 53 5.344 -9.729 -1.341 437 HD21 LEU 53 3HD2 LEU 53 2.236 -8.448 0.138 438 HD22 LEU 53 1HD2 LEU 53 3.967 -8.608 0.420 439 HD23 LEU 53 2HD2 LEU 53 2.865 -9.867 0.968 440 H LEU 54 H LEU 54 2.030 -7.717 -4.913 441 HA LEU 54 HA LEU 54 1.876 -4.971 -4.246 442 HB2 LEU 54 2HB LEU 54 2.950 -6.284 -6.333 443 HB3 LEU 54 1HB LEU 54 1.422 -5.836 -7.084 444 HG LEU 54 HG LEU 54 3.395 -3.940 -5.782 445 HD11 LEU 54 1HD1 LEU 54 2.488 -4.077 -8.664 446 HD12 LEU 54 2HD1 LEU 54 3.936 -4.896 -8.076 447 HD13 LEU 54 3HD1 LEU 54 3.824 -3.139 -7.993 448 HD21 LEU 54 3HD2 LEU 54 0.591 -3.577 -6.836 449 HD22 LEU 54 1HD2 LEU 54 1.747 -2.243 -6.919 450 HD23 LEU 54 2HD2 LEU 54 1.322 -2.940 -5.361 451 H ASP 55 H ASP 55 -0.412 -7.247 -5.669 452 HA ASP 55 HA ASP 55 -2.404 -5.349 -6.330 453 HB2 ASP 55 2HB ASP 55 -2.349 -7.604 -7.294 454 HB3 ASP 55 1HB ASP 55 -2.686 -8.298 -5.710 455 H VAL 56 H VAL 56 -1.930 -7.396 -3.479 456 HA VAL 56 HA VAL 56 -4.324 -6.456 -2.187 457 HB VAL 56 HB VAL 56 -3.318 -8.715 -1.798 458 HG11 VAL 56 1HG1 VAL 56 -0.967 -7.687 -1.696 459 HG12 VAL 56 2HG1 VAL 56 -1.328 -8.970 -0.550 460 HG13 VAL 56 3HG1 VAL 56 -1.345 -7.286 -0.026 461 HG21 VAL 56 3HG2 VAL 56 -3.858 -8.751 0.540 462 HG22 VAL 56 1HG2 VAL 56 -4.897 -7.537 -0.198 463 HG23 VAL 56 2HG2 VAL 56 -3.473 -7.041 0.720 464 H VAL 57 H VAL 57 -0.849 -5.872 -1.763 465 HA VAL 57 HA VAL 57 -1.001 -4.167 0.442 466 HB VAL 57 HB VAL 57 0.953 -4.235 -1.870 467 HG11 VAL 57 1HG1 VAL 57 1.191 -2.055 -1.008 468 HG12 VAL 57 2HG1 VAL 57 2.439 -2.993 -0.186 469 HG13 VAL 57 3HG1 VAL 57 0.939 -2.592 0.653 470 HG21 VAL 57 3HG2 VAL 57 0.653 -6.187 -0.130 471 HG22 VAL 57 1HG2 VAL 57 1.464 -5.087 0.982 472 HG23 VAL 57 2HG2 VAL 57 2.277 -5.613 -0.490 473 H LEU 58 H LEU 58 -1.058 -3.396 -3.052 474 HA LEU 58 HA LEU 58 -1.318 -0.599 -2.703 475 HB2 LEU 58 2HB LEU 58 -0.689 -1.861 -4.830 476 HB3 LEU 58 1HB LEU 58 -2.407 -2.208 -5.018 477 HG LEU 58 HG LEU 58 -2.848 0.273 -4.862 478 HD11 LEU 58 1HD1 LEU 58 -1.031 1.343 -3.907 479 HD12 LEU 58 2HD1 LEU 58 -0.588 1.549 -5.594 480 HD13 LEU 58 3HD1 LEU 58 0.151 0.265 -4.646 481 HD21 LEU 58 3HD2 LEU 58 -2.968 -0.528 -7.059 482 HD22 LEU 58 1HD2 LEU 58 -1.273 -1.013 -7.089 483 HD23 LEU 58 2HD2 LEU 58 -1.704 0.689 -7.209 484 H ASP 59 H ASP 59 -3.769 -3.036 -3.579 485 HA ASP 59 HA ASP 59 -6.033 -1.441 -3.487 486 HB2 ASP 59 2HB ASP 59 -5.664 -4.330 -2.688 487 HB3 ASP 59 1HB ASP 59 -7.247 -3.558 -2.788 488 H ALA 60 H ALA 60 -4.346 -3.031 -0.814 489 HA ALA 60 HA ALA 60 -6.169 -2.439 1.236 490 HB1 ALA 60 3HB ALA 60 -3.154 -2.702 1.398 491 HB2 ALA 60 1HB ALA 60 -4.314 -4.025 1.524 492 HB3 ALA 60 2HB ALA 60 -4.262 -2.775 2.767 493 H VAL 61 H VAL 61 -3.333 -0.632 0.061 494 HA VAL 61 HA VAL 61 -3.509 1.492 1.912 495 HB VAL 61 HB VAL 61 -2.392 1.392 -0.899 496 HG11 VAL 61 1HG1 VAL 61 -1.093 3.441 -0.055 497 HG12 VAL 61 2HG1 VAL 61 -2.301 3.544 1.225 498 HG13 VAL 61 3HG1 VAL 61 -2.789 3.703 -0.462 499 HG21 VAL 61 3HG2 VAL 61 -0.873 1.492 1.712 500 HG22 VAL 61 1HG2 VAL 61 -0.316 0.957 0.127 501 HG23 VAL 61 2HG2 VAL 61 -1.436 -0.043 1.050 502 H GLU 62 H GLU 62 -4.847 1.132 -1.361 503 HA GLU 62 HA GLU 62 -6.018 3.698 -1.510 504 HB2 GLU 62 2HB GLU 62 -5.657 2.223 -3.471 505 HB3 GLU 62 1HB GLU 62 -6.915 1.143 -2.867 506 HG2 GLU 62 2HG GLU 62 -8.574 2.931 -3.022 507 HG3 GLU 62 1HG GLU 62 -7.329 4.074 -3.526 508 H SER 63 H SER 63 -7.288 0.564 -0.416 509 HA SER 63 HA SER 63 -9.946 1.406 0.016 510 HB2 SER 63 2HB SER 63 -9.586 -0.924 -0.011 511 HB3 SER 63 1HB SER 63 -8.264 -0.820 1.146 512 HG SER 63 HG SER 63 -9.808 -1.288 2.511 513 H THR 64 H THR 64 -7.287 0.990 2.369 514 HA THR 64 HA THR 64 -8.676 2.059 4.570 515 HB THR 64 HB THR 64 -5.689 2.167 4.125 516 HG1 THR 64 HG1 THR 64 -5.722 0.090 4.243 517 HG21 THR 64 3HG2 THR 64 -5.630 1.971 6.580 518 HG22 THR 64 1HG2 THR 64 -7.394 1.953 6.622 519 HG23 THR 64 2HG2 THR 64 -6.538 3.400 6.082 520 H LEU 65 H LEU 65 -6.367 3.583 2.331 521 HA LEU 65 HA LEU 65 -7.228 6.226 3.328 522 HB2 LEU 65 2HB LEU 65 -4.773 5.572 3.437 523 HB3 LEU 65 1HB LEU 65 -4.776 5.612 1.676 524 HG LEU 65 HG LEU 65 -5.786 7.988 1.910 525 HD11 LEU 65 1HD1 LEU 65 -4.877 7.431 4.742 526 HD12 LEU 65 2HD1 LEU 65 -6.394 8.139 4.193 527 HD13 LEU 65 3HD1 LEU 65 -4.908 9.071 4.101 528 HD21 LEU 65 3HD2 LEU 65 -2.946 7.295 2.690 529 HD22 LEU 65 1HD2 LEU 65 -3.472 8.948 2.374 530 HD23 LEU 65 2HD2 LEU 65 -3.552 7.737 1.093 531 H SER 66 H SER 66 -9.062 6.521 2.091 532 HA SER 66 HA SER 66 -9.014 6.160 -0.777 533 HB2 SER 66 2HB SER 66 -11.010 6.437 1.208 534 HB3 SER 66 1HB SER 66 -11.230 7.797 0.114 535 HG SER 66 HG SER 66 -11.707 6.460 -1.457 536 HA PRO 67 HA PRO 67 -8.862 10.907 -0.708 537 HB2 PRO 67 2HB PRO 67 -8.521 12.228 1.660 538 HB3 PRO 67 1HB PRO 67 -10.108 11.693 1.080 539 HG2 PRO 67 2HG PRO 67 -8.414 10.564 3.229 540 HG3 PRO 67 1HG PRO 67 -10.175 10.518 3.041 541 HD2 PRO 67 2HD PRO 67 -8.341 8.431 2.433 542 HD3 PRO 67 1HD PRO 67 -10.073 8.464 2.047 543 H CYS 68 H CYS 68 -6.965 11.305 -1.686 544 HA CYS 68 HA CYS 68 -4.506 11.433 -0.030 545 HB2 CYS 68 2HB CYS 68 -4.499 10.450 -2.880 546 HB3 CYS 68 1HB CYS 68 -3.240 10.293 -1.654 547 HG CYS 68 HG CYS 68 -4.826 8.590 -0.377 548 H LYS 69 H LYS 69 -6.307 12.546 -2.837 549 HA LYS 69 HA LYS 69 -4.415 14.421 -3.780 550 HB2 LYS 69 2HB LYS 69 -6.398 13.599 -5.067 551 HB3 LYS 69 1HB LYS 69 -7.423 14.592 -4.028 552 HG2 LYS 69 2HG LYS 69 -6.227 16.612 -4.729 553 HG3 LYS 69 1HG LYS 69 -5.133 15.640 -5.717 554 HD2 LYS 69 2HD LYS 69 -7.050 14.869 -7.075 555 HD3 LYS 69 1HD LYS 69 -8.133 15.864 -6.101 556 HE2 LYS 69 2HE LYS 69 -6.925 17.888 -6.791 557 HE3 LYS 69 1HE LYS 69 -5.801 16.910 -7.734 558 HZ1 LYS 69 3HZ LYS 69 -8.055 16.045 -8.755 559 HZ2 LYS 69 1HZ LYS 69 -7.280 17.433 -9.350 560 HZ3 LYS 69 2HZ LYS 69 -8.592 17.584 -8.279 561 H GLU 70 H GLU 70 -6.732 14.498 -1.192 562 HA GLU 70 HA GLU 70 -6.768 17.343 -0.860 563 HB2 GLU 70 2HB GLU 70 -7.550 15.073 0.986 564 HB3 GLU 70 1HB GLU 70 -7.795 16.778 1.366 565 HG2 GLU 70 2HG GLU 70 -9.856 16.165 0.425 566 HG3 GLU 70 1HG GLU 70 -9.020 16.883 -0.947 567 H HIS 71 H HIS 71 -4.883 14.691 0.482 568 HA HIS 71 HA HIS 71 -3.432 16.517 2.262 569 HB2 HIS 71 2HB HIS 71 -3.310 13.527 1.825 570 HB3 HIS 71 1HB HIS 71 -2.219 14.397 2.905 571 HD1 HIS 71 HD1 HIS 71 -3.414 15.773 4.891 572 HD2 HIS 71 HD2 HIS 71 -5.813 12.983 2.931 573 HE1 HIS 71 HE1 HIS 71 -5.422 15.382 6.384 574 H ASP 72 H ASP 72 -1.949 17.732 1.268 575 HA ASP 72 HA ASP 72 -0.646 17.081 -1.156 576 HB2 ASP 72 2HB ASP 72 -0.930 19.392 -0.126 577 HB3 ASP 72 1HB ASP 72 0.409 18.979 0.944 578 H VAL 73 H VAL 73 0.099 16.424 2.195 579 HA VAL 73 HA VAL 73 2.834 15.837 1.979 580 HB VAL 73 HB VAL 73 0.737 14.618 3.795 581 HG11 VAL 73 1HG1 VAL 73 2.788 14.193 5.248 582 HG12 VAL 73 2HG1 VAL 73 3.761 14.532 3.816 583 HG13 VAL 73 3HG1 VAL 73 2.644 13.169 3.820 584 HG21 VAL 73 3HG2 VAL 73 1.498 16.287 5.398 585 HG22 VAL 73 1HG2 VAL 73 1.026 17.107 3.908 586 HG23 VAL 73 2HG2 VAL 73 2.733 16.853 4.271 587 H ILE 74 H ILE 74 -0.016 13.745 1.577 588 HA ILE 74 HA ILE 74 1.735 11.604 0.542 589 HB ILE 74 HB ILE 74 -1.211 11.304 1.101 590 HG12 ILE 74 2HG1 ILE 74 1.046 11.005 3.113 591 HG13 ILE 74 1HG1 ILE 74 -0.138 12.310 3.122 592 HG21 ILE 74 1HG2 ILE 74 -0.608 8.981 1.377 593 HG22 ILE 74 2HG2 ILE 74 1.114 9.365 1.377 594 HG23 ILE 74 3HG2 ILE 74 0.173 9.536 -0.102 595 HD11 ILE 74 3HD1 ILE 74 -1.959 10.692 3.381 596 HD12 ILE 74 1HD1 ILE 74 -0.785 10.523 4.686 597 HD13 ILE 74 2HD1 ILE 74 -0.800 9.363 3.358 598 H GLY 75 H GLY 75 -0.289 14.099 -0.479 599 HA2 GLY 75 2HA GLY 75 -1.741 13.150 -2.609 600 HA3 GLY 75 1HA GLY 75 -0.964 14.729 -2.595 601 H THR 76 H THR 76 -1.019 13.910 -5.006 602 HA THR 76 HA THR 76 0.323 13.548 -6.836 603 HB THR 76 HB THR 76 2.638 13.571 -6.616 604 HG1 THR 76 HG1 THR 76 2.107 11.817 -4.651 605 HG21 THR 76 3HG2 THR 76 1.231 15.369 -5.091 606 HG22 THR 76 1HG2 THR 76 2.986 15.418 -5.289 607 HG23 THR 76 2HG2 THR 76 2.283 14.649 -3.872 608 H LYS 77 H LYS 77 0.293 11.252 -4.202 609 HA LYS 77 HA LYS 77 1.194 8.979 -5.600 610 HB2 LYS 77 2HB LYS 77 0.225 7.698 -3.818 611 HB3 LYS 77 1HB LYS 77 0.948 9.150 -3.123 612 HG2 LYS 77 2HG LYS 77 -1.098 9.424 -2.096 613 HG3 LYS 77 1HG LYS 77 -1.600 10.068 -3.652 614 HD2 LYS 77 2HD LYS 77 -3.239 8.444 -3.302 615 HD3 LYS 77 1HD LYS 77 -2.062 7.515 -4.226 616 HE2 LYS 77 2HE LYS 77 -2.649 7.425 -1.285 617 HE3 LYS 77 1HE LYS 77 -2.430 6.090 -2.416 618 HZ1 LYS 77 3HZ LYS 77 -0.192 7.919 -1.833 619 HZ2 LYS 77 1HZ LYS 77 -0.148 6.307 -2.361 620 HZ3 LYS 77 2HZ LYS 77 -0.561 6.662 -0.751 621 H VAL 78 H VAL 78 -1.947 10.550 -5.366 622 HA VAL 78 HA VAL 78 -3.559 8.530 -6.456 623 HB VAL 78 HB VAL 78 -4.451 10.593 -5.423 624 HG11 VAL 78 1HG1 VAL 78 -4.299 12.712 -6.501 625 HG12 VAL 78 2HG1 VAL 78 -3.696 11.995 -7.994 626 HG13 VAL 78 3HG1 VAL 78 -2.668 12.049 -6.564 627 HG21 VAL 78 3HG2 VAL 78 -5.299 10.389 -8.324 628 HG22 VAL 78 1HG2 VAL 78 -6.288 10.892 -6.954 629 HG23 VAL 78 2HG2 VAL 78 -5.768 9.212 -7.096 630 H CYS 79 H CYS 79 -1.641 11.081 -8.014 631 HA CYS 79 HA CYS 79 -2.457 10.560 -10.678 632 HB2 CYS 79 2HB CYS 79 0.167 11.677 -9.652 633 HB3 CYS 79 1HB CYS 79 -0.413 11.784 -11.313 634 HG CYS 79 HG CYS 79 -2.009 13.588 -10.663 635 H ALA 80 H ALA 80 0.399 9.469 -8.818 636 HA ALA 80 HA ALA 80 1.467 7.802 -10.856 637 HB1 ALA 80 3HB ALA 80 2.806 8.472 -8.936 638 HB2 ALA 80 1HB ALA 80 2.709 6.712 -9.002 639 HB3 ALA 80 2HB ALA 80 1.721 7.608 -7.849 640 H LEU 81 H LEU 81 -0.645 7.050 -8.100 641 HA LEU 81 HA LEU 81 -0.922 4.336 -8.412 642 HB2 LEU 81 2HB LEU 81 -1.930 5.445 -6.510 643 HB3 LEU 81 1HB LEU 81 -2.975 6.407 -7.553 644 HG LEU 81 HG LEU 81 -4.153 4.370 -8.288 645 HD11 LEU 81 1HD1 LEU 81 -2.013 3.050 -6.625 646 HD12 LEU 81 2HD1 LEU 81 -2.531 2.668 -8.267 647 HD13 LEU 81 3HD1 LEU 81 -3.558 2.243 -6.900 648 HD21 LEU 81 3HD2 LEU 81 -4.990 5.485 -6.291 649 HD22 LEU 81 1HD2 LEU 81 -3.867 4.573 -5.282 650 HD23 LEU 81 2HD2 LEU 81 -5.171 3.738 -6.125 651 H LEU 82 H LEU 82 -2.632 6.969 -10.090 652 HA LEU 82 HA LEU 82 -4.457 5.363 -11.497 653 HB2 LEU 82 2HB LEU 82 -4.697 7.790 -11.407 654 HB3 LEU 82 1HB LEU 82 -3.176 8.003 -12.269 655 HG LEU 82 HG LEU 82 -4.109 6.910 -14.256 656 HD11 LEU 82 1HD1 LEU 82 -6.728 6.554 -14.092 657 HD12 LEU 82 2HD1 LEU 82 -6.398 6.388 -12.366 658 HD13 LEU 82 3HD1 LEU 82 -5.629 5.300 -13.522 659 HD21 LEU 82 3HD2 LEU 82 -5.904 9.062 -13.103 660 HD22 LEU 82 1HD2 LEU 82 -5.862 8.584 -14.798 661 HD23 LEU 82 2HD2 LEU 82 -4.439 9.317 -14.057 662 H ASP 83 H ASP 83 -1.246 6.600 -12.450 663 HA ASP 83 HA ASP 83 -1.175 5.315 -14.982 664 HB2 ASP 83 2HB ASP 83 1.002 6.296 -13.138 665 HB3 ASP 83 1HB ASP 83 1.337 5.613 -14.729 666 H ARG 84 H ARG 84 -0.063 4.313 -11.772 667 HA ARG 84 HA ARG 84 1.145 1.885 -12.604 668 HB2 ARG 84 2HB ARG 84 0.293 3.109 -10.015 669 HB3 ARG 84 1HB ARG 84 0.512 1.360 -10.016 670 HG2 ARG 84 2HG ARG 84 2.591 2.455 -9.392 671 HG3 ARG 84 1HG ARG 84 2.793 1.670 -10.965 672 HD2 ARG 84 2HD ARG 84 2.328 3.872 -12.055 673 HD3 ARG 84 1HD ARG 84 2.253 4.608 -10.458 674 HE ARG 84 HE ARG 84 4.637 3.747 -11.863 675 HH11 ARG 84 1HH2 ARG 84 3.135 4.566 -8.858 676 HH12 ARG 84 2HH2 ARG 84 4.620 4.978 -8.069 677 HH21 ARG 84 1HH1 ARG 84 6.587 4.288 -10.841 678 HH22 ARG 84 2HH1 ARG 84 6.578 4.820 -9.193 679 H LEU 85 H LEU 85 -2.095 2.689 -11.492 680 HA LEU 85 HA LEU 85 -3.093 0.078 -11.341 681 HB2 LEU 85 2HB LEU 85 -4.218 2.031 -10.357 682 HB3 LEU 85 1HB LEU 85 -4.573 2.641 -11.972 683 HG LEU 85 HG LEU 85 -5.419 -0.192 -11.536 684 HD11 LEU 85 1HD1 LEU 85 -5.972 0.626 -9.333 685 HD12 LEU 85 2HD1 LEU 85 -7.460 0.505 -10.268 686 HD13 LEU 85 3HD1 LEU 85 -6.710 2.078 -10.006 687 HD21 LEU 85 3HD2 LEU 85 -7.446 0.640 -12.686 688 HD22 LEU 85 1HD2 LEU 85 -5.989 1.102 -13.567 689 HD23 LEU 85 2HD2 LEU 85 -6.831 2.289 -12.576 690 H ALA 86 H ALA 86 -2.592 2.268 -14.011 691 HA ALA 86 HA ALA 86 -4.288 1.113 -15.927 692 HB1 ALA 86 3HB ALA 86 -3.037 2.294 -17.540 693 HB2 ALA 86 1HB ALA 86 -1.554 2.199 -16.589 694 HB3 ALA 86 2HB ALA 86 -2.866 3.260 -16.076 695 H GLY 87 H GLY 87 -1.956 -0.435 -14.221 696 HA2 GLY 87 2HA GLY 87 -2.038 -2.823 -15.608 697 HA3 GLY 87 1HA GLY 87 -0.627 -1.965 -16.217 698 H ASP 88 H ASP 88 0.898 -1.137 -14.531 699 HA ASP 88 HA ASP 88 0.955 -2.024 -11.879 700 HB2 ASP 88 2HB ASP 88 2.704 -3.879 -12.193 701 HB3 ASP 88 1HB ASP 88 1.035 -4.297 -12.554 702 H TYR 89 H TYR 89 3.508 -2.426 -14.319 703 HA TYR 89 HA TYR 89 5.380 -1.181 -14.765 704 HB2 TYR 89 2HB TYR 89 3.657 0.765 -14.184 705 HB3 TYR 89 1HB TYR 89 4.669 0.924 -12.755 706 HD1 TYR 89 HD2 TYR 89 7.294 0.850 -13.239 707 HD2 TYR 89 HD1 TYR 89 4.284 1.935 -16.105 708 HE1 TYR 89 HE2 TYR 89 8.998 2.059 -14.574 709 HE2 TYR 89 HE1 TYR 89 5.986 3.139 -17.439 710 HH TYR 89 HH TYR 89 8.937 4.027 -16.274 711 H VAL 90 H VAL 90 4.739 -0.365 -11.363 712 HA VAL 90 HA VAL 90 7.330 -0.661 -10.445 713 HB VAL 90 HB VAL 90 4.761 -1.223 -8.952 714 HG11 VAL 90 1HG1 VAL 90 6.193 -0.562 -6.969 715 HG12 VAL 90 2HG1 VAL 90 7.596 -0.686 -8.031 716 HG13 VAL 90 3HG1 VAL 90 6.612 -2.111 -7.697 717 HG21 VAL 90 3HG2 VAL 90 4.951 1.038 -10.034 718 HG22 VAL 90 1HG2 VAL 90 6.423 1.307 -9.102 719 HG23 VAL 90 2HG2 VAL 90 4.880 1.103 -8.272 720 H TYR 91 H TYR 91 8.634 -2.330 -10.011 721 HA TYR 91 HA TYR 91 7.465 -5.071 -10.056 722 HB2 TYR 91 2HB TYR 91 10.253 -4.304 -10.938 723 HB3 TYR 91 1HB TYR 91 9.447 -5.861 -11.130 724 HD1 TYR 91 HD2 TYR 91 7.019 -5.656 -12.312 725 HD2 TYR 91 HD1 TYR 91 10.296 -2.923 -12.823 726 HE1 TYR 91 HE2 TYR 91 6.062 -4.912 -14.475 727 HE2 TYR 91 HE1 TYR 91 9.333 -2.173 -14.978 728 HH TYR 91 HH TYR 91 7.200 -2.127 -16.124 729 H LEU 92 H LEU 92 8.670 -6.671 -8.808 730 HA LEU 92 HA LEU 92 10.123 -5.485 -6.525 731 HB2 LEU 92 2HB LEU 92 7.798 -6.196 -5.958 732 HB3 LEU 92 1HB LEU 92 8.222 -7.833 -6.449 733 HG LEU 92 HG LEU 92 9.894 -6.353 -4.402 734 HD11 LEU 92 1HD1 LEU 92 7.759 -6.224 -3.402 735 HD12 LEU 92 2HD1 LEU 92 8.508 -7.657 -2.692 736 HD13 LEU 92 3HD1 LEU 92 7.307 -7.833 -3.971 737 HD21 LEU 92 3HD2 LEU 92 9.941 -8.982 -3.681 738 HD22 LEU 92 1HD2 LEU 92 11.072 -8.282 -4.827 739 HD23 LEU 92 2HD2 LEU 92 9.671 -9.172 -5.410 740 H PHE 93 H PHE 93 12.084 -6.247 -6.211 741 HA PHE 93 HA PHE 93 12.746 -8.962 -7.244 742 HB2 PHE 93 2HB PHE 93 14.248 -6.382 -7.627 743 HB3 PHE 93 1HB PHE 93 15.058 -7.940 -7.738 744 HD1 PHE 93 HD2 PHE 93 14.498 -9.526 -9.511 745 HD2 PHE 93 HD1 PHE 93 12.607 -5.677 -9.289 746 HE1 PHE 93 HE2 PHE 93 13.676 -9.799 -11.832 747 HE2 PHE 93 HE1 PHE 93 11.780 -5.949 -11.612 748 HZ PHE 93 HZ PHE 93 12.314 -8.012 -12.884 749 H ASP 94 H ASP 94 14.332 -10.094 -6.115 750 HA ASP 94 HA ASP 94 14.485 -9.415 -3.298 751 HB2 ASP 94 2HB ASP 94 15.566 -11.603 -3.067 752 HB3 ASP 94 1HB ASP 94 14.077 -11.736 -3.996 753 H GLU 95 H GLU 95 17.013 -10.602 -2.742 754 HA GLU 95 HA GLU 95 18.697 -8.380 -2.805 755 HB2 GLU 95 2HB GLU 95 19.328 -11.324 -2.503 756 HB3 GLU 95 1HB GLU 95 20.510 -10.037 -2.246 757 HG2 GLU 95 2HG GLU 95 19.120 -9.066 -0.488 758 HG3 GLU 95 1HG GLU 95 17.867 -10.272 -0.777 759 H GLY 96 H GLY 96 18.747 -11.292 -4.868 760 HA2 GLY 96 2HA GLY 96 20.851 -10.262 -6.546 761 HA3 GLY 96 1HA GLY 96 19.904 -11.722 -6.826 762 H GLY 97 H GLY 97 18.535 -11.677 -8.491 763 HA2 GLY 97 2HA GLY 97 17.108 -9.231 -9.199 764 HA3 GLY 97 1HA GLY 97 18.237 -9.829 -10.409 765 H ASP 98 H ASP 98 16.088 -11.590 -8.187 766 HA ASP 98 HA ASP 98 14.681 -12.738 -10.543 767 HB2 ASP 98 2HB ASP 98 15.654 -14.111 -8.037 768 HB3 ASP 98 1HB ASP 98 14.455 -14.816 -9.119 769 H GLU 99 H GLU 99 12.537 -12.597 -10.501 770 HA GLU 99 HA GLU 99 11.224 -11.130 -8.441 771 HB2 GLU 99 2HB GLU 99 10.028 -12.788 -10.682 772 HB3 GLU 99 1HB GLU 99 9.184 -11.584 -9.718 773 HG2 GLU 99 2HG GLU 99 9.774 -10.286 -11.565 774 HG3 GLU 99 1HG GLU 99 11.156 -9.992 -10.514 775 H VAL 100 H VAL 100 11.540 -12.280 -6.512 776 HA VAL 100 HA VAL 100 9.576 -14.351 -6.028 777 HB VAL 100 HB VAL 100 11.615 -15.553 -6.911 778 HG11 VAL 100 1HG1 VAL 100 12.824 -14.868 -4.232 779 HG12 VAL 100 2HG1 VAL 100 13.194 -13.944 -5.688 780 HG13 VAL 100 3HG1 VAL 100 13.598 -15.658 -5.607 781 HG21 VAL 100 3HG2 VAL 100 9.918 -16.646 -5.474 782 HG22 VAL 100 1HG2 VAL 100 10.795 -16.103 -4.043 783 HG23 VAL 100 2HG2 VAL 100 11.533 -17.272 -5.136 784 H ILE 101 H ILE 101 9.047 -14.551 -3.854 785 HA ILE 101 HA ILE 101 9.743 -12.327 -2.188 786 HB ILE 101 HB ILE 101 8.343 -14.851 -1.295 787 HG12 ILE 101 2HG1 ILE 101 7.238 -14.221 -3.343 788 HG13 ILE 101 1HG1 ILE 101 6.239 -13.631 -2.016 789 HG21 ILE 101 1HG2 ILE 101 8.000 -11.938 -0.523 790 HG22 ILE 101 2HG2 ILE 101 8.960 -13.101 0.390 791 HG23 ILE 101 3HG2 ILE 101 7.216 -13.322 0.235 792 HD11 ILE 101 3HD1 ILE 101 8.086 -12.053 -3.804 793 HD12 ILE 101 1HD1 ILE 101 7.530 -11.413 -2.258 794 HD13 ILE 101 2HD1 ILE 101 6.367 -11.807 -3.524 795 H ALA 102 H ALA 102 11.325 -12.150 -0.749 796 HA ALA 102 HA ALA 102 12.496 -14.571 0.414 797 HB1 ALA 102 3HB ALA 102 13.723 -13.179 -1.732 798 HB2 ALA 102 1HB ALA 102 14.448 -14.448 -0.751 799 HB3 ALA 102 2HB ALA 102 14.661 -12.755 -0.301 800 HA PRO 103 HA PRO 103 13.076 -12.450 4.213 801 HB2 PRO 103 2HB PRO 103 16.054 -12.452 3.798 802 HB3 PRO 103 1HB PRO 103 15.117 -12.998 5.199 803 HG2 PRO 103 2HG PRO 103 16.173 -14.745 3.489 804 HG3 PRO 103 1HG PRO 103 14.581 -15.026 4.222 805 HD2 PRO 103 2HD PRO 103 15.254 -14.200 1.431 806 HD3 PRO 103 1HD PRO 103 13.891 -15.165 2.036 807 H ARG 104 H ARG 104 15.158 -11.250 1.598 808 HA ARG 104 HA ARG 104 14.558 -8.468 2.452 809 HB2 ARG 104 2HB ARG 104 17.196 -9.614 1.527 810 HB3 ARG 104 1HB ARG 104 16.861 -7.887 1.646 811 HG2 ARG 104 2HG ARG 104 17.158 -7.887 3.916 812 HG3 ARG 104 1HG ARG 104 16.083 -9.268 4.128 813 HD2 ARG 104 2HD ARG 104 17.911 -10.790 3.495 814 HD3 ARG 104 1HD ARG 104 18.988 -9.417 3.290 815 HE ARG 104 HE ARG 104 18.071 -10.546 5.808 816 HH11 ARG 104 1HH2 ARG 104 19.494 -7.887 4.110 817 HH12 ARG 104 2HH2 ARG 104 20.265 -7.226 5.513 818 HH21 ARG 104 1HH1 ARG 104 19.079 -9.689 7.648 819 HH22 ARG 104 2HH1 ARG 104 20.031 -8.248 7.518 820 H MET 105 H MET 105 13.788 -7.213 0.904 821 HA MET 105 HA MET 105 14.479 -7.563 -1.870 822 HB2 MET 105 2HB MET 105 12.154 -7.989 -2.630 823 HB3 MET 105 1HB MET 105 12.804 -9.327 -1.684 824 HG2 MET 105 2HG MET 105 10.673 -9.032 -0.748 825 HG3 MET 105 1HG MET 105 11.698 -8.112 0.354 826 HE1 MET 105 3HE MET 105 8.562 -7.489 0.308 827 HE2 MET 105 1HE MET 105 8.815 -5.754 0.540 828 HE3 MET 105 2HE MET 105 9.896 -6.916 1.303 829 H TYR 106 H TYR 106 13.231 -5.982 -3.251 830 HA TYR 106 HA TYR 106 12.195 -3.673 -1.726 831 HB2 TYR 106 2HB TYR 106 13.592 -2.127 -2.955 832 HB3 TYR 106 1HB TYR 106 14.632 -3.320 -2.180 833 HD1 TYR 106 HD2 TYR 106 15.553 -5.234 -3.527 834 HD2 TYR 106 HD1 TYR 106 13.465 -1.944 -5.337 835 HE1 TYR 106 HE2 TYR 106 16.482 -5.859 -5.740 836 HE2 TYR 106 HE1 TYR 106 14.396 -2.568 -7.556 837 HH TYR 106 HH TYR 106 16.961 -4.438 -8.000 838 H CYS 107 H CYS 107 10.628 -2.530 -2.763 839 HA CYS 107 HA CYS 107 9.766 -3.531 -5.420 840 HB2 CYS 107 2HB CYS 107 8.273 -3.926 -3.365 841 HB3 CYS 107 1HB CYS 107 7.961 -2.192 -3.426 842 HG CYS 107 HG CYS 107 6.701 -4.210 -5.249 843 H SER 108 H SER 108 10.257 -2.164 -6.961 844 HA SER 108 HA SER 108 9.379 0.585 -6.818 845 HB2 SER 108 2HB SER 108 11.555 1.634 -7.100 846 HB3 SER 108 1HB SER 108 11.548 0.697 -5.609 847 HG SER 108 HG SER 108 13.232 -0.235 -6.449 848 H PHE 109 H PHE 109 10.066 1.784 -8.872 849 HA PHE 109 HA PHE 109 9.322 0.229 -11.129 850 HB2 PHE 109 2HB PHE 109 9.868 2.284 -12.417 851 HB3 PHE 109 1HB PHE 109 8.800 2.595 -11.047 852 HD1 PHE 109 HD1 PHE 109 12.215 2.990 -12.377 853 HD2 PHE 109 HD2 PHE 109 9.593 3.772 -9.066 854 HE1 PHE 109 HE1 PHE 109 13.860 4.601 -11.455 855 HE2 PHE 109 HE2 PHE 109 11.238 5.383 -8.144 856 HZ PHE 109 HZ PHE 109 13.371 5.798 -9.338 857 H SER 110 H SER 110 12.418 1.488 -9.978 858 HA SER 110 HA SER 110 14.015 0.874 -12.174 859 HB2 SER 110 2HB SER 110 14.679 2.108 -10.048 860 HB3 SER 110 1HB SER 110 14.895 0.522 -9.311 861 HG SER 110 HG SER 110 16.225 0.144 -11.326 862 H ALA 111 H ALA 111 15.276 -0.913 -12.728 863 HA ALA 111 HA ALA 111 14.231 -3.468 -11.716 864 HB1 ALA 111 3HB ALA 111 15.888 -3.758 -14.087 865 HB2 ALA 111 1HB ALA 111 14.679 -2.497 -14.336 866 HB3 ALA 111 2HB ALA 111 14.175 -4.124 -13.885 867 HA PRO 112 HA PRO 112 17.952 -4.993 -9.950 868 HB2 PRO 112 2HB PRO 112 18.286 -6.931 -12.223 869 HB3 PRO 112 1HB PRO 112 18.259 -7.239 -10.474 870 HG2 PRO 112 2HG PRO 112 16.163 -7.825 -12.014 871 HG3 PRO 112 1HG PRO 112 15.957 -7.199 -10.367 872 HD2 PRO 112 2HD PRO 112 15.554 -5.801 -12.979 873 HD3 PRO 112 1HD PRO 112 14.718 -5.582 -11.425 874 H ASP 113 H ASP 113 18.181 -4.682 -13.490 875 HA ASP 113 HA ASP 113 21.040 -4.201 -13.418 876 HB2 ASP 113 2HB ASP 113 20.810 -3.868 -15.837 877 HB3 ASP 113 1HB ASP 113 20.011 -5.355 -15.331 878 H ASP 114 H ASP 114 19.459 -2.401 -11.829 879 HA ASP 114 HA ASP 114 18.844 0.044 -12.978 880 HB2 ASP 114 2HB ASP 114 18.418 -0.528 -10.612 881 HB3 ASP 114 1HB ASP 114 20.146 -0.412 -10.283 Start of MODEL 21 1 HA2 GLY 1 2HA GLY 1 -5.275 -12.044 17.494 2 HA3 GLY 1 1HA GLY 1 -5.625 -13.202 16.214 3 H LYS 2 H LYS 2 -6.000 -14.508 18.241 4 HA LYS 2 HA LYS 2 -4.210 -15.339 20.073 5 HB2 LYS 2 2HB LYS 2 -5.409 -17.781 19.270 6 HB3 LYS 2 1HB LYS 2 -5.912 -16.719 20.563 7 HG2 LYS 2 2HG LYS 2 -7.877 -16.668 19.450 8 HG3 LYS 2 1HG LYS 2 -7.114 -15.439 18.472 9 HD2 LYS 2 2HD LYS 2 -7.005 -18.391 17.782 10 HD3 LYS 2 1HD LYS 2 -8.276 -17.326 17.210 11 HE2 LYS 2 2HE LYS 2 -6.808 -17.181 15.434 12 HE3 LYS 2 1HE LYS 2 -6.215 -15.840 16.410 13 HZ1 LYS 2 3HZ LYS 2 -4.969 -18.348 15.775 14 HZ2 LYS 2 1HZ LYS 2 -4.899 -17.968 17.428 15 HZ3 LYS 2 2HZ LYS 2 -4.274 -16.884 16.279 16 H LYS 3 H LYS 3 -2.847 -17.429 20.196 17 HA LYS 3 HA LYS 3 -0.835 -17.325 18.260 18 HB2 LYS 3 2HB LYS 3 -0.060 -19.518 19.241 19 HB3 LYS 3 1HB LYS 3 -0.240 -18.210 20.393 20 HG2 LYS 3 2HG LYS 3 -1.875 -19.278 21.543 21 HG3 LYS 3 1HG LYS 3 -2.718 -19.768 20.099 22 HD2 LYS 3 2HD LYS 3 -0.202 -21.240 20.565 23 HD3 LYS 3 1HD LYS 3 -1.369 -21.463 21.844 24 HE2 LYS 3 2HE LYS 3 -1.362 -23.043 19.696 25 HE3 LYS 3 1HE LYS 3 -2.855 -22.557 20.453 26 HZ1 LYS 3 3HZ LYS 3 -1.686 -21.701 17.968 27 HZ2 LYS 3 1HZ LYS 3 -2.547 -20.550 18.832 28 HZ3 LYS 3 2HZ LYS 3 -3.304 -21.987 18.346 29 H VAL 4 H VAL 4 -0.486 -20.189 17.773 30 HA VAL 4 HA VAL 4 -1.203 -20.533 15.238 31 HB VAL 4 HB VAL 4 -1.923 -22.977 16.783 32 HG11 VAL 4 1HG1 VAL 4 0.330 -22.612 14.822 33 HG12 VAL 4 2HG1 VAL 4 -1.348 -22.684 14.274 34 HG13 VAL 4 3HG1 VAL 4 -0.637 -24.045 15.132 35 HG21 VAL 4 3HG2 VAL 4 1.006 -22.280 16.855 36 HG22 VAL 4 1HG2 VAL 4 0.094 -23.373 17.879 37 HG23 VAL 4 2HG2 VAL 4 -0.023 -21.651 18.140 38 H GLU 5 H GLU 5 -3.449 -20.681 17.936 39 HA GLU 5 HA GLU 5 -5.681 -19.807 16.590 40 HB2 GLU 5 2HB GLU 5 -7.044 -21.648 16.079 41 HB3 GLU 5 1HB GLU 5 -5.479 -22.078 15.423 42 HG2 GLU 5 2HG GLU 5 -6.843 -23.144 17.882 43 HG3 GLU 5 1HG GLU 5 -6.176 -24.031 16.517 44 H PHE 6 H PHE 6 -4.246 -19.980 19.385 45 HA PHE 6 HA PHE 6 -6.777 -20.204 20.896 46 HB2 PHE 6 2HB PHE 6 -4.169 -21.420 21.814 47 HB3 PHE 6 1HB PHE 6 -5.592 -21.250 22.820 48 HD1 PHE 6 HD2 PHE 6 -7.754 -21.972 20.762 49 HD2 PHE 6 HD1 PHE 6 -3.971 -23.807 21.703 50 HE1 PHE 6 HE2 PHE 6 -8.574 -24.137 19.893 51 HE2 PHE 6 HE1 PHE 6 -4.806 -25.965 20.821 52 HZ PHE 6 HZ PHE 6 -7.103 -26.131 19.919 53 H ASN 7 H ASN 7 -3.450 -18.809 21.015 54 HA ASN 7 HA ASN 7 -4.359 -16.367 22.100 55 HB2 ASN 7 2HB ASN 7 -3.286 -16.712 24.417 56 HB3 ASN 7 1HB ASN 7 -4.890 -17.383 24.131 57 HD21 ASN 7 1HD2 ASN 7 -1.414 -18.314 24.031 58 HD22 ASN 7 2HD2 ASN 7 -1.691 -19.943 24.416 59 H ASP 8 H ASP 8 -2.954 -15.123 21.117 60 HA ASP 8 HA ASP 8 -0.936 -13.863 21.191 61 HB2 ASP 8 2HB ASP 8 -0.106 -15.482 23.025 62 HB3 ASP 8 1HB ASP 8 0.622 -16.393 21.702 63 H LYS 9 H LYS 9 1.426 -15.732 20.200 64 HA LYS 9 HA LYS 9 0.601 -15.727 17.350 65 HB2 LYS 9 2HB LYS 9 2.845 -15.107 16.773 66 HB3 LYS 9 1HB LYS 9 2.339 -14.033 18.071 67 HG2 LYS 9 2HG LYS 9 4.324 -14.645 19.022 68 HG3 LYS 9 1HG LYS 9 3.416 -16.060 19.541 69 HD2 LYS 9 2HD LYS 9 4.144 -17.020 17.180 70 HD3 LYS 9 1HD LYS 9 5.410 -15.797 17.303 71 HE2 LYS 9 2HE LYS 9 6.221 -17.906 18.246 72 HE3 LYS 9 1HE LYS 9 6.025 -16.727 19.547 73 HZ1 LYS 9 3HZ LYS 9 3.625 -18.169 19.038 74 HZ2 LYS 9 1HZ LYS 9 4.470 -17.965 20.493 75 HZ3 LYS 9 2HZ LYS 9 4.903 -19.214 19.427 76 HA PRO 10 HA PRO 10 1.162 -20.084 16.934 77 HB2 PRO 10 2HB PRO 10 3.452 -19.466 15.099 78 HB3 PRO 10 1HB PRO 10 2.122 -20.620 14.881 79 HG2 PRO 10 2HG PRO 10 2.125 -18.232 13.677 80 HG3 PRO 10 1HG PRO 10 0.634 -19.000 14.247 81 HD2 PRO 10 2HD PRO 10 2.022 -16.620 15.327 82 HD3 PRO 10 1HD PRO 10 0.335 -17.129 15.547 83 H LYS 11 H LYS 11 2.014 -21.311 18.534 84 HA LYS 11 HA LYS 11 4.932 -21.227 19.039 85 HB2 LYS 11 2HB LYS 11 4.151 -21.670 21.546 86 HB3 LYS 11 1HB LYS 11 4.305 -20.029 20.930 87 HG2 LYS 11 2HG LYS 11 1.963 -19.848 20.530 88 HG3 LYS 11 1HG LYS 11 1.742 -21.575 20.743 89 HD2 LYS 11 2HD LYS 11 0.951 -20.542 22.754 90 HD3 LYS 11 1HD LYS 11 2.492 -21.299 23.141 91 HE2 LYS 11 2HE LYS 11 3.405 -19.299 23.709 92 HE3 LYS 11 1HE LYS 11 2.860 -18.543 22.213 93 HZ1 LYS 11 3HZ LYS 11 0.552 -18.690 23.413 94 HZ2 LYS 11 1HZ LYS 11 1.619 -17.410 23.725 95 HZ3 LYS 11 2HZ LYS 11 1.518 -18.711 24.812 96 H VAL 12 H VAL 12 2.424 -22.959 20.819 97 HA VAL 12 HA VAL 12 3.658 -25.431 20.880 98 HB VAL 12 HB VAL 12 1.304 -26.322 21.319 99 HG11 VAL 12 1HG1 VAL 12 1.140 -25.031 23.475 100 HG12 VAL 12 2HG1 VAL 12 2.395 -23.951 22.866 101 HG13 VAL 12 3HG1 VAL 12 2.754 -25.656 23.137 102 HG21 VAL 12 3HG2 VAL 12 -0.393 -25.016 20.517 103 HG22 VAL 12 1HG2 VAL 12 0.666 -23.620 20.320 104 HG23 VAL 12 2HG2 VAL 12 -0.069 -23.957 21.883 105 H ARG 13 H ARG 13 0.555 -25.606 19.327 106 HA ARG 13 HA ARG 13 1.036 -27.616 17.608 107 HB2 ARG 13 2HB ARG 13 -1.194 -26.702 17.882 108 HB3 ARG 13 1HB ARG 13 -0.737 -25.216 17.075 109 HG2 ARG 13 2HG ARG 13 -0.442 -26.361 14.967 110 HG3 ARG 13 1HG ARG 13 -0.622 -27.927 15.753 111 HD2 ARG 13 2HD ARG 13 -2.684 -27.131 14.539 112 HD3 ARG 13 1HD ARG 13 -2.935 -27.498 16.243 113 HE ARG 13 HE ARG 13 -3.090 -25.176 16.695 114 HH11 ARG 13 1HH2 ARG 13 -2.573 -25.863 13.319 115 HH12 ARG 13 2HH2 ARG 13 -3.061 -24.285 12.802 116 HH21 ARG 13 1HH1 ARG 13 -3.704 -23.130 15.998 117 HH22 ARG 13 2HH1 ARG 13 -3.695 -22.745 14.310 118 H LYS 14 H LYS 14 1.044 -27.466 15.117 119 HA LYS 14 HA LYS 14 3.615 -26.406 14.389 120 HB2 LYS 14 2HB LYS 14 1.648 -27.334 12.309 121 HB3 LYS 14 1HB LYS 14 3.393 -27.551 12.379 122 HG2 LYS 14 2HG LYS 14 2.835 -29.673 13.032 123 HG3 LYS 14 1HG LYS 14 2.691 -28.922 14.619 124 HD2 LYS 14 2HD LYS 14 0.215 -28.417 13.797 125 HD3 LYS 14 1HD LYS 14 0.529 -29.752 12.700 126 HE2 LYS 14 2HE LYS 14 -0.529 -30.552 14.784 127 HE3 LYS 14 1HE LYS 14 1.093 -31.213 14.604 128 HZ1 LYS 14 3HZ LYS 14 0.059 -29.325 16.553 129 HZ2 LYS 14 1HZ LYS 14 1.613 -28.985 15.965 130 HZ3 LYS 14 2HZ LYS 14 1.294 -30.481 16.707 131 H ILE 15 H ILE 15 4.109 -24.609 13.214 132 HA ILE 15 HA ILE 15 2.295 -22.448 13.228 133 HB ILE 15 HB ILE 15 4.840 -22.705 11.621 134 HG12 ILE 15 2HG1 ILE 15 4.368 -21.774 14.474 135 HG13 ILE 15 1HG1 ILE 15 5.225 -23.237 13.992 136 HG21 ILE 15 1HG2 ILE 15 3.441 -20.265 12.753 137 HG22 ILE 15 2HG2 ILE 15 3.325 -20.781 11.072 138 HG23 ILE 15 3HG2 ILE 15 4.880 -20.275 11.730 139 HD11 ILE 15 3HD1 ILE 15 6.698 -21.530 12.591 140 HD12 ILE 15 1HD1 ILE 15 7.008 -21.782 14.308 141 HD13 ILE 15 2HD1 ILE 15 6.091 -20.375 13.779 142 HA PRO 16 HA PRO 16 -0.177 -23.346 9.594 143 HB2 PRO 16 2HB PRO 16 0.103 -20.402 9.084 144 HB3 PRO 16 1HB PRO 16 -1.357 -21.413 9.096 145 HG2 PRO 16 2HG PRO 16 -0.712 -19.778 11.131 146 HG3 PRO 16 1HG PRO 16 -1.577 -21.307 11.368 147 HD2 PRO 16 2HD PRO 16 1.217 -20.619 12.088 148 HD3 PRO 16 1HD PRO 16 0.169 -21.904 12.714 149 H SER 17 H SER 17 0.135 -23.538 7.347 150 HA SER 17 HA SER 17 2.804 -23.658 6.444 151 HB2 SER 17 2HB SER 17 1.655 -23.851 4.144 152 HB3 SER 17 1HB SER 17 1.267 -25.079 5.345 153 HG SER 17 HG SER 17 -0.582 -23.771 5.881 154 H THR 18 H THR 18 1.313 -20.956 7.278 155 HA THR 18 HA THR 18 2.199 -19.370 4.983 156 HB THR 18 HB THR 18 0.668 -17.708 5.587 157 HG1 THR 18 HG1 THR 18 0.786 -17.214 7.614 158 HG21 THR 18 3HG2 THR 18 -0.579 -20.307 6.538 159 HG22 THR 18 1HG2 THR 18 -0.525 -19.742 4.867 160 HG23 THR 18 2HG2 THR 18 -1.463 -18.857 6.068 161 H ARG 19 H ARG 19 2.811 -17.031 5.776 162 HA ARG 19 HA ARG 19 4.571 -17.099 8.112 163 HB2 ARG 19 2HB ARG 19 5.491 -17.209 5.323 164 HB3 ARG 19 1HB ARG 19 6.181 -15.850 6.203 165 HG2 ARG 19 2HG ARG 19 6.866 -17.450 8.017 166 HG3 ARG 19 1HG ARG 19 6.313 -18.777 6.991 167 HD2 ARG 19 2HD ARG 19 7.850 -17.904 5.189 168 HD3 ARG 19 1HD ARG 19 8.503 -16.777 6.374 169 HE ARG 19 HE ARG 19 8.760 -19.170 7.624 170 HH11 ARG 19 1HH2 ARG 19 9.570 -17.975 4.484 171 HH12 ARG 19 2HH2 ARG 19 10.927 -19.031 4.278 172 HH21 ARG 19 1HH1 ARG 19 10.536 -20.564 7.365 173 HH22 ARG 19 2HH1 ARG 19 11.474 -20.499 5.911 174 H LYS 20 H LYS 20 5.266 -14.910 8.509 175 HA LYS 20 HA LYS 20 3.511 -12.702 7.642 176 HB2 LYS 20 2HB LYS 20 4.675 -13.361 10.327 177 HB3 LYS 20 1HB LYS 20 3.991 -11.774 9.967 178 HG2 LYS 20 2HG LYS 20 1.865 -12.829 9.301 179 HG3 LYS 20 1HG LYS 20 2.540 -14.419 9.651 180 HD2 LYS 20 2HD LYS 20 2.815 -13.818 12.009 181 HD3 LYS 20 1HD LYS 20 2.233 -12.185 11.681 182 HE2 LYS 20 2HE LYS 20 0.052 -13.088 10.982 183 HE3 LYS 20 1HE LYS 20 0.627 -14.730 11.274 184 HZ1 LYS 20 3HZ LYS 20 0.942 -14.186 13.592 185 HZ2 LYS 20 1HZ LYS 20 -0.661 -13.866 13.139 186 HZ3 LYS 20 2HZ LYS 20 0.441 -12.586 13.321 187 H ILE 21 H ILE 21 4.321 -11.101 6.596 188 HA ILE 21 HA ILE 21 7.208 -10.542 6.757 189 HB ILE 21 HB ILE 21 6.870 -10.839 4.518 190 HG12 ILE 21 2HG1 ILE 21 5.610 -8.161 4.255 191 HG13 ILE 21 1HG1 ILE 21 7.126 -8.216 5.145 192 HG21 ILE 21 1HG2 ILE 21 4.706 -10.366 3.370 193 HG22 ILE 21 2HG2 ILE 21 4.038 -9.841 4.916 194 HG23 ILE 21 3HG2 ILE 21 4.549 -11.514 4.699 195 HD11 ILE 21 3HD1 ILE 21 6.852 -9.588 2.483 196 HD12 ILE 21 1HD1 ILE 21 8.323 -9.080 3.312 197 HD13 ILE 21 2HD1 ILE 21 7.254 -7.876 2.594 198 H LYS 22 H LYS 22 7.984 -8.497 7.085 199 HA LYS 22 HA LYS 22 6.081 -6.389 7.893 200 HB2 LYS 22 2HB LYS 22 7.651 -7.915 9.661 201 HB3 LYS 22 1HB LYS 22 8.500 -6.378 9.499 202 HG2 LYS 22 2HG LYS 22 6.509 -5.144 10.122 203 HG3 LYS 22 1HG LYS 22 5.541 -6.621 10.116 204 HD2 LYS 22 2HD LYS 22 6.947 -7.531 11.947 205 HD3 LYS 22 1HD LYS 22 7.869 -6.028 11.973 206 HE2 LYS 22 2HE LYS 22 5.800 -4.775 12.505 207 HE3 LYS 22 1HE LYS 22 4.895 -6.288 12.501 208 HZ1 LYS 22 3HZ LYS 22 7.242 -5.831 14.244 209 HZ2 LYS 22 1HZ LYS 22 6.096 -7.077 14.346 210 HZ3 LYS 22 2HZ LYS 22 5.653 -5.483 14.731 211 H ILE 23 H ILE 23 8.246 -7.190 5.694 212 HA ILE 23 HA ILE 23 9.942 -4.808 5.824 213 HB ILE 23 HB ILE 23 9.947 -7.089 3.828 214 HG12 ILE 23 2HG1 ILE 23 12.226 -7.351 5.297 215 HG13 ILE 23 1HG1 ILE 23 11.130 -6.726 6.531 216 HG21 ILE 23 1HG2 ILE 23 10.955 -4.962 3.011 217 HG22 ILE 23 2HG2 ILE 23 12.163 -6.229 3.222 218 HG23 ILE 23 3HG2 ILE 23 12.014 -4.944 4.421 219 HD11 ILE 23 3HD1 ILE 23 10.998 -9.295 5.000 220 HD12 ILE 23 1HD1 ILE 23 9.486 -8.544 5.508 221 HD13 ILE 23 2HD1 ILE 23 10.694 -8.995 6.711 222 H THR 24 H THR 24 9.085 -3.009 5.075 223 HA THR 24 HA THR 24 7.564 -3.082 2.533 224 HB THR 24 HB THR 24 6.680 -0.797 3.512 225 HG1 THR 24 HG1 THR 24 7.307 -2.282 5.843 226 HG21 THR 24 3HG2 THR 24 5.081 -2.451 3.070 227 HG22 THR 24 1HG2 THR 24 4.916 -2.218 4.810 228 HG23 THR 24 2HG2 THR 24 5.817 -3.599 4.188 229 H PHE 25 H PHE 25 8.242 -1.727 0.916 230 HA PHE 25 HA PHE 25 10.819 -0.439 1.312 231 HB2 PHE 25 2HB PHE 25 9.959 -1.841 -0.754 232 HB3 PHE 25 1HB PHE 25 9.295 -0.290 -1.263 233 HD1 PHE 25 HD1 PHE 25 12.448 -1.956 -0.149 234 HD2 PHE 25 HD2 PHE 25 10.692 1.362 -2.228 235 HE1 PHE 25 HE1 PHE 25 14.695 -1.251 -0.923 236 HE2 PHE 25 HE2 PHE 25 12.937 2.072 -3.000 237 HZ PHE 25 HZ PHE 25 14.940 0.764 -2.348 238 H ALA 26 H ALA 26 10.918 1.525 2.056 239 HA ALA 26 HA ALA 26 8.665 3.377 1.752 240 HB1 ALA 26 3HB ALA 26 10.770 4.645 3.144 241 HB2 ALA 26 1HB ALA 26 10.735 2.974 3.709 242 HB3 ALA 26 2HB ALA 26 9.284 3.973 3.817 243 H LEU 27 H LEU 27 8.600 4.428 -0.103 244 HA LEU 27 HA LEU 27 10.895 5.100 -1.684 245 HB2 LEU 27 2HB LEU 27 8.143 6.347 -1.873 246 HB3 LEU 27 1HB LEU 27 9.373 6.275 -3.132 247 HG LEU 27 HG LEU 27 7.627 4.068 -2.065 248 HD11 LEU 27 1HD1 LEU 27 7.449 3.600 -4.518 249 HD12 LEU 27 2HD1 LEU 27 8.483 4.997 -4.820 250 HD13 LEU 27 3HD1 LEU 27 6.899 5.217 -4.077 251 HD21 LEU 27 3HD2 LEU 27 9.735 3.011 -1.838 252 HD22 LEU 27 1HD2 LEU 27 10.386 3.804 -3.272 253 HD23 LEU 27 2HD2 LEU 27 9.183 2.527 -3.441 254 H ASP 28 H ASP 28 8.837 6.798 0.576 255 HA ASP 28 HA ASP 28 10.905 8.785 1.088 256 HB2 ASP 28 2HB ASP 28 8.235 9.411 -0.155 257 HB3 ASP 28 1HB ASP 28 8.993 10.573 0.930 258 H ALA 29 H ALA 29 10.064 10.274 2.922 259 HA ALA 29 HA ALA 29 9.367 8.684 5.124 260 HB1 ALA 29 3HB ALA 29 10.465 10.766 5.529 261 HB2 ALA 29 1HB ALA 29 8.850 10.913 6.226 262 HB3 ALA 29 2HB ALA 29 9.214 11.666 4.672 263 H THR 30 H THR 30 7.416 10.299 2.714 264 HA THR 30 HA THR 30 4.979 10.477 4.098 265 HB THR 30 HB THR 30 5.321 9.932 1.142 266 HG1 THR 30 HG1 THR 30 5.476 12.306 2.679 267 HG21 THR 30 3HG2 THR 30 3.255 11.686 1.458 268 HG22 THR 30 1HG2 THR 30 3.095 10.720 2.926 269 HG23 THR 30 2HG2 THR 30 3.050 9.939 1.345 270 H PHE 31 H PHE 31 5.832 7.812 1.636 271 HA PHE 31 HA PHE 31 3.765 6.158 2.667 272 HB2 PHE 31 2HB PHE 31 6.154 5.685 0.867 273 HB3 PHE 31 1HB PHE 31 4.921 4.473 1.190 274 HD1 PHE 31 HD1 PHE 31 5.481 7.878 -0.238 275 HD2 PHE 31 HD2 PHE 31 2.886 4.463 0.007 276 HE1 PHE 31 HE1 PHE 31 4.112 8.785 -2.098 277 HE2 PHE 31 HE2 PHE 31 1.518 5.369 -1.848 278 HZ PHE 31 HZ PHE 31 2.133 7.527 -2.902 279 H ASP 32 H ASP 32 6.115 7.170 4.322 280 HA ASP 32 HA ASP 32 7.324 4.620 5.180 281 HB2 ASP 32 2HB ASP 32 8.616 6.898 5.023 282 HB3 ASP 32 1HB ASP 32 7.856 7.220 6.579 283 H SER 33 H SER 33 5.852 7.435 6.759 284 HA SER 33 HA SER 33 4.923 5.906 8.995 285 HB2 SER 33 2HB SER 33 3.586 7.938 9.509 286 HB3 SER 33 1HB SER 33 5.274 8.324 9.183 287 HG SER 33 HG SER 33 4.282 9.695 7.872 288 H VAL 34 H VAL 34 3.488 7.073 5.957 289 HA VAL 34 HA VAL 34 0.842 6.213 6.478 290 HB VAL 34 HB VAL 34 2.233 6.668 3.832 291 HG11 VAL 34 1HG1 VAL 34 -0.630 7.158 3.927 292 HG12 VAL 34 2HG1 VAL 34 -0.266 5.488 4.348 293 HG13 VAL 34 3HG1 VAL 34 0.288 6.149 2.810 294 HG21 VAL 34 3HG2 VAL 34 0.322 8.538 5.228 295 HG22 VAL 34 1HG2 VAL 34 1.504 8.906 3.972 296 HG23 VAL 34 2HG2 VAL 34 2.041 8.565 5.618 297 H LEU 35 H LEU 35 3.440 4.585 4.510 298 HA LEU 35 HA LEU 35 1.767 2.378 3.888 299 HB2 LEU 35 2HB LEU 35 3.887 2.987 2.673 300 HB3 LEU 35 1HB LEU 35 4.784 2.329 4.040 301 HG LEU 35 HG LEU 35 3.964 0.123 3.655 302 HD11 LEU 35 1HD1 LEU 35 1.661 0.349 3.211 303 HD12 LEU 35 2HD1 LEU 35 2.303 -0.183 1.659 304 HD13 LEU 35 3HD1 LEU 35 1.928 1.521 1.920 305 HD21 LEU 35 3HD2 LEU 35 4.314 1.229 0.860 306 HD22 LEU 35 1HD2 LEU 35 4.816 -0.345 1.477 307 HD23 LEU 35 2HD2 LEU 35 5.663 1.113 1.991 308 H SER 36 H SER 36 4.089 2.933 6.523 309 HA SER 36 HA SER 36 3.964 0.340 7.638 310 HB2 SER 36 2HB SER 36 5.723 1.721 8.382 311 HB3 SER 36 1HB SER 36 4.631 3.044 8.784 312 HG SER 36 HG SER 36 3.927 1.931 10.534 313 H LYS 37 H LYS 37 2.033 3.271 8.326 314 HA LYS 37 HA LYS 37 0.525 2.176 10.449 315 HB2 LYS 37 2HB LYS 37 0.542 4.607 8.921 316 HB3 LYS 37 1HB LYS 37 -1.117 4.058 9.140 317 HG2 LYS 37 2HG LYS 37 -0.803 3.937 11.547 318 HG3 LYS 37 1HG LYS 37 0.912 4.321 11.388 319 HD2 LYS 37 2HD LYS 37 0.344 6.528 10.462 320 HD3 LYS 37 1HD LYS 37 -1.374 6.140 10.555 321 HE2 LYS 37 2HE LYS 37 -0.993 5.759 13.066 322 HE3 LYS 37 1HE LYS 37 0.568 6.549 12.838 323 HZ1 LYS 37 3HZ LYS 37 -0.483 8.476 13.003 324 HZ2 LYS 37 1HZ LYS 37 -2.000 7.716 13.050 325 HZ3 LYS 37 2HZ LYS 37 -1.305 8.130 11.557 326 H ALA 38 H ALA 38 -0.180 2.366 6.985 327 HA ALA 38 HA ALA 38 -2.728 1.050 7.251 328 HB1 ALA 38 3HB ALA 38 -1.049 2.062 4.997 329 HB2 ALA 38 1HB ALA 38 -2.731 2.410 5.389 330 HB3 ALA 38 2HB ALA 38 -2.302 0.875 4.637 331 H CYS 39 H CYS 39 0.539 0.121 6.654 332 HA CYS 39 HA CYS 39 -0.245 -2.707 6.783 333 HB2 CYS 39 2HB CYS 39 -0.284 -2.462 4.451 334 HB3 CYS 39 1HB CYS 39 1.161 -1.455 4.439 335 HG CYS 39 HG CYS 39 1.311 -4.484 5.218 336 H SER 40 H SER 40 0.789 -2.526 8.856 337 HA SER 40 HA SER 40 3.724 -2.307 8.854 338 HB2 SER 40 2HB SER 40 3.593 -2.274 11.230 339 HB3 SER 40 1HB SER 40 2.232 -1.299 10.687 340 HG SER 40 HG SER 40 0.876 -3.023 11.057 341 H GLU 41 H GLU 41 1.280 -4.583 8.577 342 HA GLU 41 HA GLU 41 3.185 -6.817 8.660 343 HB2 GLU 41 2HB GLU 41 0.916 -6.556 10.596 344 HB3 GLU 41 1HB GLU 41 1.425 -8.157 10.056 345 HG2 GLU 41 2HG GLU 41 3.751 -7.621 10.742 346 HG3 GLU 41 1HG GLU 41 3.196 -6.059 11.342 347 H PHE 42 H PHE 42 2.694 -8.602 7.483 348 HA PHE 42 HA PHE 42 0.036 -8.800 6.255 349 HB2 PHE 42 2HB PHE 42 2.487 -8.097 4.817 350 HB3 PHE 42 1HB PHE 42 1.670 -9.510 4.145 351 HD1 PHE 42 HD2 PHE 42 -1.050 -9.216 4.263 352 HD2 PHE 42 HD1 PHE 42 1.834 -6.059 3.872 353 HE1 PHE 42 HE2 PHE 42 -2.784 -7.761 3.263 354 HE2 PHE 42 HE1 PHE 42 0.093 -4.601 2.868 355 HZ PHE 42 HZ PHE 42 -2.213 -5.455 2.565 356 H GLU 43 H GLU 43 -0.574 -10.853 5.636 357 HA GLU 43 HA GLU 43 1.166 -13.037 6.622 358 HB2 GLU 43 2HB GLU 43 -0.807 -14.311 7.127 359 HB3 GLU 43 1HB GLU 43 -1.011 -12.709 7.828 360 HG2 GLU 43 2HG GLU 43 -2.323 -12.059 5.770 361 HG3 GLU 43 1HG GLU 43 -2.243 -13.743 5.257 362 H VAL 44 H VAL 44 2.055 -14.200 5.135 363 HA VAL 44 HA VAL 44 0.658 -14.485 2.534 364 HB VAL 44 HB VAL 44 3.474 -14.885 2.177 365 HG11 VAL 44 1HG1 VAL 44 3.064 -13.592 0.328 366 HG12 VAL 44 2HG1 VAL 44 2.083 -12.434 1.224 367 HG13 VAL 44 3HG1 VAL 44 1.389 -13.976 0.724 368 HG21 VAL 44 3HG2 VAL 44 3.941 -13.474 4.059 369 HG22 VAL 44 1HG2 VAL 44 2.633 -12.367 3.645 370 HG23 VAL 44 2HG2 VAL 44 4.078 -12.442 2.639 371 H ASP 45 H ASP 45 -0.113 -16.308 2.240 372 HA ASP 45 HA ASP 45 0.716 -18.862 3.327 373 HB2 ASP 45 2HB ASP 45 -0.805 -18.402 0.736 374 HB3 ASP 45 1HB ASP 45 -0.772 -19.885 1.686 375 H LYS 46 H LYS 46 1.980 -20.732 1.783 376 HA LYS 46 HA LYS 46 4.030 -19.284 0.418 377 HB2 LYS 46 2HB LYS 46 3.469 -22.250 0.707 378 HB3 LYS 46 1HB LYS 46 4.998 -21.514 0.230 379 HG2 LYS 46 2HG LYS 46 5.422 -20.691 2.391 380 HG3 LYS 46 1HG LYS 46 3.730 -20.808 2.873 381 HD2 LYS 46 2HD LYS 46 4.861 -22.624 3.955 382 HD3 LYS 46 1HD LYS 46 3.953 -23.336 2.622 383 HE2 LYS 46 2HE LYS 46 6.603 -22.491 1.759 384 HE3 LYS 46 1HE LYS 46 6.698 -23.619 3.110 385 HZ1 LYS 46 3HZ LYS 46 6.341 -24.320 0.530 386 HZ2 LYS 46 1HZ LYS 46 4.751 -24.345 1.119 387 HZ3 LYS 46 2HZ LYS 46 5.948 -25.293 1.866 388 H ASP 47 H ASP 47 1.361 -18.994 -0.754 389 HA ASP 47 HA ASP 47 1.892 -20.249 -3.356 390 HB2 ASP 47 2HB ASP 47 -0.579 -20.398 -1.701 391 HB3 ASP 47 1HB ASP 47 -0.797 -20.104 -3.426 392 H VAL 48 H VAL 48 1.759 -17.545 -1.586 393 HA VAL 48 HA VAL 48 0.319 -15.840 -3.452 394 HB VAL 48 HB VAL 48 1.956 -15.052 -1.033 395 HG11 VAL 48 1HG1 VAL 48 -0.186 -13.314 -1.360 396 HG12 VAL 48 2HG1 VAL 48 0.325 -13.642 -3.014 397 HG13 VAL 48 3HG1 VAL 48 1.477 -12.994 -1.850 398 HG21 VAL 48 3HG2 VAL 48 -0.556 -14.892 -0.133 399 HG22 VAL 48 1HG2 VAL 48 0.369 -16.386 -0.006 400 HG23 VAL 48 2HG2 VAL 48 -0.801 -16.182 -1.309 401 H THR 49 H THR 49 1.257 -14.906 -5.121 402 HA THR 49 HA THR 49 4.199 -14.896 -5.276 403 HB THR 49 HB THR 49 3.926 -14.733 -7.670 404 HG1 THR 49 HG1 THR 49 1.524 -14.862 -8.290 405 HG21 THR 49 3HG2 THR 49 3.193 -16.886 -8.029 406 HG22 THR 49 1HG2 THR 49 1.739 -16.666 -7.054 407 HG23 THR 49 2HG2 THR 49 3.296 -16.937 -6.269 408 H LEU 50 H LEU 50 5.300 -13.058 -5.803 409 HA LEU 50 HA LEU 50 4.863 -10.695 -4.644 410 HB2 LEU 50 2HB LEU 50 6.069 -9.566 -6.596 411 HB3 LEU 50 1HB LEU 50 6.899 -10.915 -5.825 412 HG LEU 50 HG LEU 50 5.105 -11.705 -8.034 413 HD11 LEU 50 1HD1 LEU 50 6.796 -10.992 -9.760 414 HD12 LEU 50 2HD1 LEU 50 7.555 -9.990 -8.522 415 HD13 LEU 50 3HD1 LEU 50 5.902 -9.654 -9.038 416 HD21 LEU 50 3HD2 LEU 50 6.826 -13.104 -6.723 417 HD22 LEU 50 1HD2 LEU 50 8.055 -12.250 -7.655 418 HD23 LEU 50 2HD2 LEU 50 6.858 -13.251 -8.478 419 H ASP 51 H ASP 51 3.300 -11.699 -7.641 420 HA ASP 51 HA ASP 51 2.110 -9.250 -8.372 421 HB2 ASP 51 2HB ASP 51 1.264 -12.123 -8.795 422 HB3 ASP 51 1HB ASP 51 0.414 -10.757 -9.512 423 H GLU 52 H GLU 52 0.854 -11.938 -6.375 424 HA GLU 52 HA GLU 52 -1.615 -10.662 -5.729 425 HB2 GLU 52 2HB GLU 52 -0.183 -13.108 -4.911 426 HB3 GLU 52 1HB GLU 52 -1.215 -12.410 -3.664 427 HG2 GLU 52 2HG GLU 52 -3.099 -12.367 -5.292 428 HG3 GLU 52 1HG GLU 52 -2.061 -13.149 -6.482 429 H LEU 53 H LEU 53 1.563 -10.810 -4.182 430 HA LEU 53 HA LEU 53 0.869 -9.608 -1.723 431 HB2 LEU 53 2HB LEU 53 3.054 -10.717 -2.152 432 HB3 LEU 53 1HB LEU 53 3.488 -9.402 -3.244 433 HG LEU 53 HG LEU 53 3.032 -7.827 -1.256 434 HD11 LEU 53 1HD1 LEU 53 1.865 -9.221 0.267 435 HD12 LEU 53 2HD1 LEU 53 3.477 -9.061 0.965 436 HD13 LEU 53 3HD1 LEU 53 3.035 -10.530 0.094 437 HD21 LEU 53 3HD2 LEU 53 5.320 -9.208 -2.094 438 HD22 LEU 53 1HD2 LEU 53 5.319 -9.386 -0.341 439 HD23 LEU 53 2HD2 LEU 53 5.280 -7.778 -1.065 440 H LEU 54 H LEU 54 2.007 -8.264 -4.795 441 HA LEU 54 HA LEU 54 2.024 -5.536 -4.038 442 HB2 LEU 54 2HB LEU 54 1.957 -7.045 -6.624 443 HB3 LEU 54 1HB LEU 54 1.626 -5.313 -6.646 444 HG LEU 54 HG LEU 54 3.986 -6.161 -5.047 445 HD11 LEU 54 1HD1 LEU 54 3.927 -6.269 -8.082 446 HD12 LEU 54 2HD1 LEU 54 4.270 -7.612 -6.996 447 HD13 LEU 54 3HD1 LEU 54 5.398 -6.266 -7.112 448 HD21 LEU 54 3HD2 LEU 54 4.277 -4.104 -7.104 449 HD22 LEU 54 1HD2 LEU 54 4.511 -3.979 -5.360 450 HD23 LEU 54 2HD2 LEU 54 2.897 -3.794 -6.049 451 H ASP 55 H ASP 55 -0.428 -7.616 -5.496 452 HA ASP 55 HA ASP 55 -2.363 -5.653 -6.009 453 HB2 ASP 55 2HB ASP 55 -2.257 -8.112 -6.775 454 HB3 ASP 55 1HB ASP 55 -3.022 -8.489 -5.234 455 H VAL 56 H VAL 56 -2.031 -7.838 -3.121 456 HA VAL 56 HA VAL 56 -4.236 -6.727 -1.760 457 HB VAL 56 HB VAL 56 -1.840 -8.313 -0.808 458 HG11 VAL 56 1HG1 VAL 56 -2.836 -7.090 1.065 459 HG12 VAL 56 2HG1 VAL 56 -3.256 -8.797 1.183 460 HG13 VAL 56 3HG1 VAL 56 -4.445 -7.635 0.595 461 HG21 VAL 56 3HG2 VAL 56 -4.445 -9.610 -0.781 462 HG22 VAL 56 1HG2 VAL 56 -2.951 -10.129 -1.563 463 HG23 VAL 56 2HG2 VAL 56 -4.046 -9.025 -2.396 464 H VAL 57 H VAL 57 -0.800 -6.020 -1.831 465 HA VAL 57 HA VAL 57 -0.670 -4.325 0.426 466 HB VAL 57 HB VAL 57 0.958 -4.854 -2.017 467 HG11 VAL 57 1HG1 VAL 57 1.250 -2.530 -2.058 468 HG12 VAL 57 2HG1 VAL 57 2.593 -3.078 -1.056 469 HG13 VAL 57 3HG1 VAL 57 1.157 -2.384 -0.303 470 HG21 VAL 57 3HG2 VAL 57 1.380 -6.299 -0.204 471 HG22 VAL 57 1HG2 VAL 57 1.289 -4.990 0.978 472 HG23 VAL 57 2HG2 VAL 57 2.684 -5.106 -0.098 473 H LEU 58 H LEU 58 -1.092 -3.680 -3.026 474 HA LEU 58 HA LEU 58 -1.302 -0.876 -2.817 475 HB2 LEU 58 2HB LEU 58 -0.862 -2.186 -4.922 476 HB3 LEU 58 1HB LEU 58 -2.563 -2.660 -4.916 477 HG LEU 58 HG LEU 58 -3.194 -0.242 -4.909 478 HD11 LEU 58 1HD1 LEU 58 -0.911 1.035 -5.825 479 HD12 LEU 58 2HD1 LEU 58 -0.284 -0.015 -4.559 480 HD13 LEU 58 3HD1 LEU 58 -1.552 1.150 -4.186 481 HD21 LEU 58 3HD2 LEU 58 -1.552 -1.476 -7.105 482 HD22 LEU 58 1HD2 LEU 58 -2.121 0.184 -7.286 483 HD23 LEU 58 2HD2 LEU 58 -3.281 -1.127 -7.067 484 H ASP 59 H ASP 59 -3.727 -3.472 -2.861 485 HA ASP 59 HA ASP 59 -6.022 -1.822 -2.752 486 HB2 ASP 59 2HB ASP 59 -5.437 -4.690 -2.142 487 HB3 ASP 59 1HB ASP 59 -6.978 -4.013 -1.626 488 H ALA 60 H ALA 60 -4.080 -3.332 -0.185 489 HA ALA 60 HA ALA 60 -5.707 -2.608 1.991 490 HB1 ALA 60 3HB ALA 60 -3.805 -3.098 3.372 491 HB2 ALA 60 1HB ALA 60 -2.694 -2.859 2.023 492 HB3 ALA 60 2HB ALA 60 -3.793 -4.240 2.030 493 H VAL 61 H VAL 61 -2.902 -0.969 0.557 494 HA VAL 61 HA VAL 61 -2.873 1.255 2.307 495 HB VAL 61 HB VAL 61 -1.858 0.908 -0.523 496 HG11 VAL 61 1HG1 VAL 61 -2.203 3.285 -0.116 497 HG12 VAL 61 2HG1 VAL 61 -0.478 2.935 -0.014 498 HG13 VAL 61 3HG1 VAL 61 -1.418 3.162 1.459 499 HG21 VAL 61 3HG2 VAL 61 -0.872 -0.486 1.360 500 HG22 VAL 61 1HG2 VAL 61 -0.353 1.026 2.105 501 HG23 VAL 61 2HG2 VAL 61 0.279 0.556 0.527 502 H GLU 62 H GLU 62 -4.410 0.676 -0.806 503 HA GLU 62 HA GLU 62 -5.442 3.296 -1.178 504 HB2 GLU 62 2HB GLU 62 -5.212 1.516 -2.956 505 HB3 GLU 62 1HB GLU 62 -6.610 0.711 -2.242 506 HG2 GLU 62 2HG GLU 62 -7.999 2.678 -2.649 507 HG3 GLU 62 1HG GLU 62 -6.605 3.572 -3.247 508 H SER 63 H SER 63 -6.721 0.375 0.369 509 HA SER 63 HA SER 63 -9.330 1.366 0.876 510 HB2 SER 63 2HB SER 63 -9.642 -0.755 1.532 511 HB3 SER 63 1HB SER 63 -7.927 -1.047 1.288 512 HG SER 63 HG SER 63 -7.565 -0.412 3.423 513 H THR 64 H THR 64 -6.351 1.374 2.853 514 HA THR 64 HA THR 64 -7.671 2.569 5.124 515 HB THR 64 HB THR 64 -5.014 3.097 5.519 516 HG1 THR 64 HG1 THR 64 -4.747 0.581 4.548 517 HG21 THR 64 3HG2 THR 64 -6.833 0.813 6.167 518 HG22 THR 64 1HG2 THR 64 -6.073 1.986 7.242 519 HG23 THR 64 2HG2 THR 64 -5.123 0.661 6.571 520 H LEU 65 H LEU 65 -5.517 3.755 2.558 521 HA LEU 65 HA LEU 65 -6.128 6.506 3.430 522 HB2 LEU 65 2HB LEU 65 -3.681 5.458 3.089 523 HB3 LEU 65 1HB LEU 65 -3.979 6.000 1.437 524 HG LEU 65 HG LEU 65 -4.748 8.230 2.555 525 HD11 LEU 65 1HD1 LEU 65 -3.272 6.820 4.782 526 HD12 LEU 65 2HD1 LEU 65 -4.827 7.646 4.851 527 HD13 LEU 65 3HD1 LEU 65 -3.340 8.580 4.695 528 HD21 LEU 65 3HD2 LEU 65 -2.038 8.564 2.996 529 HD22 LEU 65 1HD2 LEU 65 -2.832 8.691 1.427 530 HD23 LEU 65 2HD2 LEU 65 -2.078 7.174 1.913 531 H SER 66 H SER 66 -8.245 6.085 2.348 532 HA SER 66 HA SER 66 -8.299 5.968 -0.535 533 HB2 SER 66 2HB SER 66 -10.207 5.772 1.633 534 HB3 SER 66 1HB SER 66 -10.797 6.862 0.384 535 HG SER 66 HG SER 66 -10.677 5.255 -1.083 536 HA PRO 67 HA PRO 67 -9.404 10.592 -0.049 537 HB2 PRO 67 2HB PRO 67 -9.105 11.809 2.353 538 HB3 PRO 67 1HB PRO 67 -10.561 10.890 1.924 539 HG2 PRO 67 2HG PRO 67 -8.279 10.120 3.659 540 HG3 PRO 67 1HG PRO 67 -10.001 9.739 3.816 541 HD2 PRO 67 2HD PRO 67 -8.059 8.012 2.792 542 HD3 PRO 67 1HD PRO 67 -9.811 7.849 2.543 543 H CYS 68 H CYS 68 -7.008 9.749 -0.910 544 HA CYS 68 HA CYS 68 -4.831 11.205 0.360 545 HB2 CYS 68 2HB CYS 68 -4.167 10.257 -2.275 546 HB3 CYS 68 1HB CYS 68 -3.551 9.716 -0.716 547 HG CYS 68 HG CYS 68 -4.920 7.680 -0.969 548 H LYS 69 H LYS 69 -6.961 11.519 -2.400 549 HA LYS 69 HA LYS 69 -5.636 13.581 -3.801 550 HB2 LYS 69 2HB LYS 69 -7.399 12.310 -4.856 551 HB3 LYS 69 1HB LYS 69 -8.565 12.831 -3.642 552 HG2 LYS 69 2HG LYS 69 -8.319 15.169 -4.397 553 HG3 LYS 69 1HG LYS 69 -7.133 14.660 -5.601 554 HD2 LYS 69 2HD LYS 69 -8.831 13.255 -6.695 555 HD3 LYS 69 1HD LYS 69 -10.017 13.719 -5.473 556 HE2 LYS 69 2HE LYS 69 -9.806 16.081 -6.161 557 HE3 LYS 69 1HE LYS 69 -8.623 15.623 -7.385 558 HZ1 LYS 69 3HZ LYS 69 -11.511 15.059 -7.289 559 HZ2 LYS 69 1HZ LYS 69 -10.482 14.029 -8.158 560 HZ3 LYS 69 2HZ LYS 69 -10.579 15.675 -8.569 561 H GLU 70 H GLU 70 -7.432 13.635 -0.849 562 HA GLU 70 HA GLU 70 -8.307 16.353 -0.961 563 HB2 GLU 70 2HB GLU 70 -7.915 14.443 1.353 564 HB3 GLU 70 1HB GLU 70 -8.630 16.049 1.514 565 HG2 GLU 70 2HG GLU 70 -10.401 15.454 -0.063 566 HG3 GLU 70 1HG GLU 70 -9.666 13.875 -0.329 567 H HIS 71 H HIS 71 -5.423 14.762 0.347 568 HA HIS 71 HA HIS 71 -4.399 17.284 1.389 569 HB2 HIS 71 2HB HIS 71 -3.200 14.511 1.308 570 HB3 HIS 71 1HB HIS 71 -2.453 15.909 2.084 571 HD1 HIS 71 HD1 HIS 71 -4.154 17.142 3.909 572 HD2 HIS 71 HD2 HIS 71 -4.879 13.145 3.001 573 HE1 HIS 71 HE1 HIS 71 -5.614 16.241 5.773 574 H ASP 72 H ASP 72 -3.301 18.686 0.119 575 HA ASP 72 HA ASP 72 -2.595 18.156 -2.544 576 HB2 ASP 72 2HB ASP 72 -2.961 20.416 -1.823 577 HB3 ASP 72 1HB ASP 72 -1.682 20.299 -0.616 578 H VAL 73 H VAL 73 -0.649 18.104 0.430 579 HA VAL 73 HA VAL 73 1.868 17.743 -0.777 580 HB VAL 73 HB VAL 73 0.806 16.845 1.916 581 HG11 VAL 73 1HG1 VAL 73 3.405 16.936 2.377 582 HG12 VAL 73 2HG1 VAL 73 3.518 16.619 0.647 583 HG13 VAL 73 3HG1 VAL 73 2.679 15.480 1.700 584 HG21 VAL 73 3HG2 VAL 73 0.999 19.351 1.216 585 HG22 VAL 73 1HG2 VAL 73 2.739 19.091 1.348 586 HG23 VAL 73 2HG2 VAL 73 1.702 18.856 2.756 587 H ILE 74 H ILE 74 -0.497 15.368 0.423 588 HA ILE 74 HA ILE 74 1.057 13.135 -0.574 589 HB ILE 74 HB ILE 74 -1.765 13.114 0.518 590 HG12 ILE 74 2HG1 ILE 74 0.905 12.810 1.947 591 HG13 ILE 74 1HG1 ILE 74 -0.221 14.154 2.140 592 HG21 ILE 74 1HG2 ILE 74 -0.146 10.806 1.097 593 HG22 ILE 74 2HG2 ILE 74 -0.092 11.120 -0.635 594 HG23 ILE 74 3HG2 ILE 74 -1.643 10.889 0.171 595 HD11 ILE 74 3HD1 ILE 74 -0.345 11.417 3.258 596 HD12 ILE 74 1HD1 ILE 74 -1.873 12.034 2.631 597 HD13 ILE 74 2HD1 ILE 74 -1.014 12.922 3.888 598 H GLY 75 H GLY 75 -1.565 15.134 -1.678 599 HA2 GLY 75 2HA GLY 75 -3.113 13.963 -3.430 600 HA3 GLY 75 1HA GLY 75 -2.167 15.343 -3.980 601 H THR 76 H THR 76 -0.086 14.915 -4.947 602 HA THR 76 HA THR 76 0.144 13.534 -7.139 603 HB THR 76 HB THR 76 2.608 12.835 -6.074 604 HG1 THR 76 HG1 THR 76 2.371 13.739 -4.139 605 HG21 THR 76 3HG2 THR 76 3.360 14.944 -7.110 606 HG22 THR 76 1HG2 THR 76 1.688 15.500 -7.188 607 HG23 THR 76 2HG2 THR 76 2.201 14.105 -8.140 608 H LYS 77 H LYS 77 0.245 11.856 -4.016 609 HA LYS 77 HA LYS 77 1.120 9.347 -4.881 610 HB2 LYS 77 2HB LYS 77 0.839 8.881 -2.709 611 HB3 LYS 77 1HB LYS 77 0.033 10.418 -2.492 612 HG2 LYS 77 2HG LYS 77 -2.121 9.452 -2.955 613 HG3 LYS 77 1HG LYS 77 -1.392 7.928 -3.458 614 HD2 LYS 77 2HD LYS 77 -1.052 9.050 -0.672 615 HD3 LYS 77 1HD LYS 77 -2.377 7.973 -1.104 616 HE2 LYS 77 2HE LYS 77 -0.135 6.688 -2.135 617 HE3 LYS 77 1HE LYS 77 0.435 7.349 -0.603 618 HZ1 LYS 77 3HZ LYS 77 -0.462 5.352 0.038 619 HZ2 LYS 77 1HZ LYS 77 -1.717 5.407 -1.101 620 HZ3 LYS 77 2HZ LYS 77 -1.784 6.390 0.284 621 H VAL 78 H VAL 78 -2.015 10.903 -5.305 622 HA VAL 78 HA VAL 78 -3.485 8.554 -5.973 623 HB VAL 78 HB VAL 78 -3.859 11.512 -6.263 624 HG11 VAL 78 1HG1 VAL 78 -6.104 10.933 -7.378 625 HG12 VAL 78 2HG1 VAL 78 -5.373 9.377 -7.775 626 HG13 VAL 78 3HG1 VAL 78 -4.670 10.869 -8.401 627 HG21 VAL 78 3HG2 VAL 78 -4.674 10.752 -4.218 628 HG22 VAL 78 1HG2 VAL 78 -5.178 9.197 -4.878 629 HG23 VAL 78 2HG2 VAL 78 -6.122 10.647 -5.216 630 H CYS 79 H CYS 79 -1.793 11.044 -7.876 631 HA CYS 79 HA CYS 79 -2.408 9.999 -10.427 632 HB2 CYS 79 2HB CYS 79 -0.276 11.825 -9.359 633 HB3 CYS 79 1HB CYS 79 -0.194 11.256 -11.026 634 HG CYS 79 HG CYS 79 -2.169 13.316 -9.955 635 H ALA 80 H ALA 80 0.334 9.480 -8.239 636 HA ALA 80 HA ALA 80 1.791 7.746 -9.955 637 HB1 ALA 80 3HB ALA 80 1.833 8.421 -7.044 638 HB2 ALA 80 1HB ALA 80 3.123 8.531 -8.242 639 HB3 ALA 80 2HB ALA 80 2.673 6.962 -7.572 640 H LEU 81 H LEU 81 -0.633 7.223 -7.437 641 HA LEU 81 HA LEU 81 -0.551 4.403 -7.375 642 HB2 LEU 81 2HB LEU 81 -1.653 5.643 -5.605 643 HB3 LEU 81 1HB LEU 81 -2.788 6.351 -6.752 644 HG LEU 81 HG LEU 81 -3.649 4.067 -7.266 645 HD11 LEU 81 1HD1 LEU 81 -1.355 3.352 -5.580 646 HD12 LEU 81 2HD1 LEU 81 -2.241 2.373 -6.749 647 HD13 LEU 81 3HD1 LEU 81 -2.848 2.542 -5.103 648 HD21 LEU 81 3HD2 LEU 81 -4.227 5.666 -5.103 649 HD22 LEU 81 1HD2 LEU 81 -3.898 4.116 -4.327 650 HD23 LEU 81 2HD2 LEU 81 -5.148 4.234 -5.564 651 H LEU 82 H LEU 82 -2.535 6.683 -9.240 652 HA LEU 82 HA LEU 82 -4.115 4.763 -10.578 653 HB2 LEU 82 2HB LEU 82 -4.460 7.311 -10.414 654 HB3 LEU 82 1HB LEU 82 -3.330 7.422 -11.762 655 HG LEU 82 HG LEU 82 -4.776 5.898 -13.085 656 HD11 LEU 82 1HD1 LEU 82 -6.354 5.918 -10.520 657 HD12 LEU 82 2HD1 LEU 82 -5.933 4.552 -11.554 658 HD13 LEU 82 3HD1 LEU 82 -7.185 5.687 -12.059 659 HD21 LEU 82 3HD2 LEU 82 -6.196 8.307 -11.903 660 HD22 LEU 82 1HD2 LEU 82 -6.654 7.497 -13.401 661 HD23 LEU 82 2HD2 LEU 82 -5.099 8.322 -13.285 662 H ASP 83 H ASP 83 -1.041 6.321 -11.417 663 HA ASP 83 HA ASP 83 -0.769 5.156 -13.988 664 HB2 ASP 83 2HB ASP 83 1.107 6.442 -12.033 665 HB3 ASP 83 1HB ASP 83 1.767 5.587 -13.423 666 H ARG 84 H ARG 84 0.202 4.114 -10.748 667 HA ARG 84 HA ARG 84 1.697 1.853 -11.578 668 HB2 ARG 84 2HB ARG 84 0.384 2.592 -8.976 669 HB3 ARG 84 1HB ARG 84 1.237 1.061 -9.191 670 HG2 ARG 84 2HG ARG 84 3.279 2.231 -9.815 671 HG3 ARG 84 1HG ARG 84 2.449 3.784 -9.751 672 HD2 ARG 84 2HD ARG 84 2.078 3.530 -7.356 673 HD3 ARG 84 1HD ARG 84 2.785 1.916 -7.388 674 HE ARG 84 HE ARG 84 4.792 3.415 -8.381 675 HH11 ARG 84 1HH2 ARG 84 2.696 3.879 -5.657 676 HH12 ARG 84 2HH2 ARG 84 3.907 4.654 -4.692 677 HH21 ARG 84 1HH1 ARG 84 6.370 4.420 -7.122 678 HH22 ARG 84 2HH1 ARG 84 5.984 4.961 -5.522 679 H LEU 85 H LEU 85 -1.678 2.345 -10.761 680 HA LEU 85 HA LEU 85 -2.420 -0.417 -10.983 681 HB2 LEU 85 2HB LEU 85 -3.659 1.403 -9.689 682 HB3 LEU 85 1HB LEU 85 -4.241 1.983 -11.249 683 HG LEU 85 HG LEU 85 -4.801 -0.681 -11.463 684 HD11 LEU 85 1HD1 LEU 85 -5.422 0.021 -8.585 685 HD12 LEU 85 2HD1 LEU 85 -4.012 -0.932 -9.053 686 HD13 LEU 85 3HD1 LEU 85 -5.635 -1.536 -9.388 687 HD21 LEU 85 3HD2 LEU 85 -6.389 1.667 -10.443 688 HD22 LEU 85 1HD2 LEU 85 -7.142 0.078 -10.567 689 HD23 LEU 85 2HD2 LEU 85 -6.488 0.857 -12.008 690 H ALA 86 H ALA 86 -1.983 2.234 -13.189 691 HA ALA 86 HA ALA 86 -3.662 1.449 -15.295 692 HB1 ALA 86 3HB ALA 86 -2.167 2.838 -16.715 693 HB2 ALA 86 1HB ALA 86 -1.055 2.976 -15.356 694 HB3 ALA 86 2HB ALA 86 -2.676 3.658 -15.239 695 H GLY 87 H GLY 87 -0.258 0.572 -14.626 696 HA2 GLY 87 2HA GLY 87 -0.506 -1.945 -15.900 697 HA3 GLY 87 1HA GLY 87 0.235 -0.807 -17.016 698 H ASP 88 H ASP 88 1.954 0.645 -15.616 699 HA ASP 88 HA ASP 88 3.956 -1.325 -14.792 700 HB2 ASP 88 2HB ASP 88 4.082 1.653 -15.307 701 HB3 ASP 88 1HB ASP 88 5.447 0.730 -14.685 702 H TYR 89 H TYR 89 4.069 -1.936 -12.724 703 HA TYR 89 HA TYR 89 3.269 -0.005 -10.640 704 HB2 TYR 89 2HB TYR 89 3.200 -2.289 -9.280 705 HB3 TYR 89 1HB TYR 89 1.856 -1.804 -10.304 706 HD1 TYR 89 HD2 TYR 89 1.477 -2.833 -12.495 707 HD2 TYR 89 HD1 TYR 89 4.701 -4.150 -9.974 708 HE1 TYR 89 HE2 TYR 89 1.759 -4.861 -13.896 709 HE2 TYR 89 HE1 TYR 89 4.982 -6.161 -11.380 710 HH TYR 89 HH TYR 89 4.159 -6.544 -14.217 711 H VAL 90 H VAL 90 4.858 -2.732 -9.455 712 HA VAL 90 HA VAL 90 7.543 -1.685 -9.626 713 HB VAL 90 HB VAL 90 7.512 -2.078 -6.938 714 HG11 VAL 90 1HG1 VAL 90 7.082 0.411 -8.583 715 HG12 VAL 90 2HG1 VAL 90 8.534 -0.120 -7.742 716 HG13 VAL 90 3HG1 VAL 90 7.166 0.503 -6.826 717 HG21 VAL 90 3HG2 VAL 90 4.854 -0.771 -7.605 718 HG22 VAL 90 1HG2 VAL 90 5.543 -0.961 -5.992 719 HG23 VAL 90 2HG2 VAL 90 5.049 -2.378 -6.912 720 H TYR 91 H TYR 91 8.655 -3.444 -10.164 721 HA TYR 91 HA TYR 91 7.684 -6.121 -9.715 722 HB2 TYR 91 2HB TYR 91 10.509 -5.346 -10.485 723 HB3 TYR 91 1HB TYR 91 9.643 -6.834 -10.876 724 HD1 TYR 91 HD2 TYR 91 7.558 -6.667 -12.385 725 HD2 TYR 91 HD1 TYR 91 10.400 -3.477 -11.920 726 HE1 TYR 91 HE2 TYR 91 6.711 -5.606 -14.463 727 HE2 TYR 91 HE1 TYR 91 9.551 -2.417 -13.992 728 HH TYR 91 HH TYR 91 7.983 -2.470 -15.575 729 H LEU 92 H LEU 92 9.022 -7.849 -8.302 730 HA LEU 92 HA LEU 92 10.692 -6.566 -6.336 731 HB2 LEU 92 2HB LEU 92 8.577 -6.398 -5.208 732 HB3 LEU 92 1HB LEU 92 8.085 -7.999 -5.753 733 HG LEU 92 HG LEU 92 10.567 -7.710 -4.074 734 HD11 LEU 92 1HD1 LEU 92 7.928 -6.925 -3.234 735 HD12 LEU 92 2HD1 LEU 92 9.415 -6.973 -2.286 736 HD13 LEU 92 3HD1 LEU 92 8.386 -8.401 -2.384 737 HD21 LEU 92 3HD2 LEU 92 8.752 -9.837 -5.007 738 HD22 LEU 92 1HD2 LEU 92 9.137 -9.946 -3.290 739 HD23 LEU 92 2HD2 LEU 92 10.432 -9.947 -4.484 740 H PHE 93 H PHE 93 12.345 -7.981 -5.804 741 HA PHE 93 HA PHE 93 11.949 -10.843 -6.327 742 HB2 PHE 93 2HB PHE 93 14.521 -10.259 -7.379 743 HB3 PHE 93 1HB PHE 93 13.120 -10.924 -8.213 744 HD1 PHE 93 HD1 PHE 93 14.870 -7.778 -7.301 745 HD2 PHE 93 HD2 PHE 93 11.754 -9.578 -9.651 746 HE1 PHE 93 HE1 PHE 93 14.618 -5.673 -8.588 747 HE2 PHE 93 HE2 PHE 93 11.510 -7.476 -10.934 748 HZ PHE 93 HZ PHE 93 12.936 -5.525 -10.402 749 H ASP 94 H ASP 94 13.722 -12.195 -5.583 750 HA ASP 94 HA ASP 94 14.579 -11.357 -2.967 751 HB2 ASP 94 2HB ASP 94 15.459 -13.620 -2.761 752 HB3 ASP 94 1HB ASP 94 13.830 -13.667 -3.423 753 H GLU 95 H GLU 95 16.974 -12.238 -2.447 754 HA GLU 95 HA GLU 95 18.733 -10.391 -3.768 755 HB2 GLU 95 2HB GLU 95 19.205 -12.512 -1.656 756 HB3 GLU 95 1HB GLU 95 20.450 -11.400 -2.229 757 HG2 GLU 95 2HG GLU 95 19.117 -9.479 -1.514 758 HG3 GLU 95 1HG GLU 95 17.800 -10.543 -1.027 759 H GLY 96 H GLY 96 17.838 -11.974 -5.752 760 HA2 GLY 96 2HA GLY 96 20.278 -13.285 -6.668 761 HA3 GLY 96 1HA GLY 96 18.846 -14.307 -6.558 762 H GLY 97 H GLY 97 16.817 -12.855 -7.431 763 HA2 GLY 97 2HA GLY 97 16.595 -11.097 -9.331 764 HA3 GLY 97 1HA GLY 97 17.511 -12.299 -10.239 765 H ASP 98 H ASP 98 16.099 -14.379 -8.493 766 HA ASP 98 HA ASP 98 14.008 -15.005 -10.338 767 HB2 ASP 98 2HB ASP 98 14.988 -16.176 -7.745 768 HB3 ASP 98 1HB ASP 98 13.501 -16.759 -8.480 769 H GLU 99 H GLU 99 11.839 -14.680 -10.190 770 HA GLU 99 HA GLU 99 10.874 -12.723 -8.314 771 HB2 GLU 99 2HB GLU 99 9.490 -14.397 -10.426 772 HB3 GLU 99 1HB GLU 99 8.669 -13.179 -9.451 773 HG2 GLU 99 2HG GLU 99 10.192 -11.446 -10.288 774 HG3 GLU 99 1HG GLU 99 11.076 -12.653 -11.217 775 H VAL 100 H VAL 100 11.131 -13.657 -6.274 776 HA VAL 100 HA VAL 100 9.022 -15.534 -5.526 777 HB VAL 100 HB VAL 100 11.911 -16.188 -5.591 778 HG11 VAL 100 1HG1 VAL 100 11.653 -15.939 -3.173 779 HG12 VAL 100 2HG1 VAL 100 11.728 -17.652 -3.579 780 HG13 VAL 100 3HG1 VAL 100 10.176 -16.904 -3.205 781 HG21 VAL 100 3HG2 VAL 100 10.744 -17.699 -6.861 782 HG22 VAL 100 1HG2 VAL 100 9.262 -17.493 -5.929 783 HG23 VAL 100 2HG2 VAL 100 10.554 -18.518 -5.310 784 H ILE 101 H ILE 101 8.474 -15.456 -3.331 785 HA ILE 101 HA ILE 101 9.280 -12.986 -1.992 786 HB ILE 101 HB ILE 101 7.121 -15.030 -1.403 787 HG12 ILE 101 2HG1 ILE 101 5.761 -12.814 -1.812 788 HG13 ILE 101 1HG1 ILE 101 7.221 -12.293 -2.654 789 HG21 ILE 101 1HG2 ILE 101 7.909 -12.502 0.075 790 HG22 ILE 101 2HG2 ILE 101 7.868 -14.146 0.718 791 HG23 ILE 101 3HG2 ILE 101 6.365 -13.325 0.297 792 HD11 ILE 101 3HD1 ILE 101 5.170 -13.849 -3.723 793 HD12 ILE 101 1HD1 ILE 101 6.457 -15.008 -3.398 794 HD13 ILE 101 2HD1 ILE 101 6.767 -13.611 -4.429 795 H ALA 102 H ALA 102 10.801 -12.965 -0.494 796 HA ALA 102 HA ALA 102 11.271 -15.348 1.171 797 HB1 ALA 102 3HB ALA 102 13.413 -15.649 0.482 798 HB2 ALA 102 1HB ALA 102 13.716 -13.916 0.360 799 HB3 ALA 102 2HB ALA 102 12.907 -14.766 -0.956 800 HA PRO 103 HA PRO 103 11.916 -12.700 4.633 801 HB2 PRO 103 2HB PRO 103 14.870 -13.134 4.637 802 HB3 PRO 103 1HB PRO 103 13.692 -13.378 5.942 803 HG2 PRO 103 2HG PRO 103 14.741 -15.437 4.631 804 HG3 PRO 103 1HG PRO 103 13.050 -15.442 5.158 805 HD2 PRO 103 2HD PRO 103 14.163 -15.052 2.410 806 HD3 PRO 103 1HD PRO 103 12.648 -15.835 2.914 807 H ARG 104 H ARG 104 14.363 -12.289 2.113 808 HA ARG 104 HA ARG 104 14.272 -9.360 2.539 809 HB2 ARG 104 2HB ARG 104 16.606 -11.010 1.532 810 HB3 ARG 104 1HB ARG 104 16.594 -9.265 1.793 811 HG2 ARG 104 2HG ARG 104 16.987 -9.511 3.998 812 HG3 ARG 104 1HG ARG 104 15.661 -10.659 4.165 813 HD2 ARG 104 2HD ARG 104 17.409 -12.056 4.690 814 HD3 ARG 104 1HD ARG 104 17.402 -12.276 2.943 815 HE ARG 104 HE ARG 104 19.084 -10.153 3.322 816 HH11 ARG 104 1HH2 ARG 104 18.836 -13.368 4.592 817 HH12 ARG 104 2HH2 ARG 104 20.538 -13.535 4.871 818 HH21 ARG 104 1HH1 ARG 104 21.314 -10.370 3.690 819 HH22 ARG 104 2HH1 ARG 104 21.938 -11.839 4.361 820 H MET 105 H MET 105 12.760 -8.834 1.008 821 HA MET 105 HA MET 105 13.348 -9.622 -1.788 822 HB2 MET 105 2HB MET 105 10.757 -8.715 -1.837 823 HB3 MET 105 1HB MET 105 11.228 -10.408 -1.735 824 HG2 MET 105 2HG MET 105 10.865 -10.503 0.578 825 HG3 MET 105 1HG MET 105 10.994 -8.757 0.771 826 HE1 MET 105 3HE MET 105 7.648 -7.393 0.538 827 HE2 MET 105 1HE MET 105 9.228 -7.037 -0.169 828 HE3 MET 105 2HE MET 105 9.110 -7.577 1.503 829 H TYR 106 H TYR 106 13.754 -8.044 -3.222 830 HA TYR 106 HA TYR 106 13.707 -5.266 -2.291 831 HB2 TYR 106 2HB TYR 106 15.779 -5.985 -3.313 832 HB3 TYR 106 1HB TYR 106 14.925 -6.585 -4.733 833 HD1 TYR 106 HD1 TYR 106 15.445 -3.444 -2.747 834 HD2 TYR 106 HD2 TYR 106 14.643 -5.184 -6.592 835 HE1 TYR 106 HE1 TYR 106 15.617 -1.203 -3.798 836 HE2 TYR 106 HE2 TYR 106 14.813 -2.944 -7.651 837 HH TYR 106 HH TYR 106 15.370 -0.028 -5.670 838 H CYS 107 H CYS 107 11.751 -4.345 -2.525 839 HA CYS 107 HA CYS 107 10.146 -4.903 -4.925 840 HB2 CYS 107 2HB CYS 107 8.839 -5.098 -2.973 841 HB3 CYS 107 1HB CYS 107 9.547 -3.659 -2.249 842 HG CYS 107 HG CYS 107 7.199 -3.016 -3.246 843 H SER 108 H SER 108 10.320 -3.567 -6.611 844 HA SER 108 HA SER 108 10.064 -0.760 -6.403 845 HB2 SER 108 2HB SER 108 12.291 -0.612 -5.629 846 HB3 SER 108 1HB SER 108 12.851 -1.845 -6.753 847 HG SER 108 HG SER 108 13.304 0.404 -7.332 848 H PHE 109 H PHE 109 10.477 0.321 -8.563 849 HA PHE 109 HA PHE 109 9.473 -1.435 -10.670 850 HB2 PHE 109 2HB PHE 109 8.932 0.557 -11.866 851 HB3 PHE 109 1HB PHE 109 8.528 0.887 -10.183 852 HD1 PHE 109 HD2 PHE 109 10.171 2.194 -8.751 853 HD2 PHE 109 HD1 PHE 109 10.583 1.829 -13.012 854 HE1 PHE 109 HE2 PHE 109 11.719 4.131 -8.771 855 HE2 PHE 109 HE1 PHE 109 12.130 3.763 -13.029 856 HZ PHE 109 HZ PHE 109 12.699 4.915 -10.909 857 H SER 110 H SER 110 12.268 -1.572 -9.599 858 HA SER 110 HA SER 110 13.734 -1.036 -12.107 859 HB2 SER 110 2HB SER 110 14.694 -1.011 -9.238 860 HB3 SER 110 1HB SER 110 15.775 -0.992 -10.628 861 HG SER 110 HG SER 110 15.458 1.090 -10.516 862 H ALA 111 H ALA 111 14.282 -2.797 -13.152 863 HA ALA 111 HA ALA 111 13.793 -5.421 -12.359 864 HB1 ALA 111 3HB ALA 111 15.768 -4.375 -14.402 865 HB2 ALA 111 1HB ALA 111 14.075 -4.768 -14.693 866 HB3 ALA 111 2HB ALA 111 15.220 -6.046 -14.291 867 HA PRO 112 HA PRO 112 17.007 -6.859 -9.725 868 HB2 PRO 112 2HB PRO 112 17.800 -8.869 -11.786 869 HB3 PRO 112 1HB PRO 112 17.344 -9.109 -10.087 870 HG2 PRO 112 2HG PRO 112 15.677 -9.721 -12.070 871 HG3 PRO 112 1HG PRO 112 15.093 -9.042 -10.540 872 HD2 PRO 112 2HD PRO 112 15.365 -7.718 -13.207 873 HD3 PRO 112 1HD PRO 112 14.169 -7.439 -11.922 874 H ASP 113 H ASP 113 18.081 -6.823 -13.131 875 HA ASP 113 HA ASP 113 20.837 -6.258 -12.477 876 HB2 ASP 113 2HB ASP 113 21.022 -5.831 -14.964 877 HB3 ASP 113 1HB ASP 113 20.427 -7.431 -14.537 878 H ASP 114 H ASP 114 18.035 -4.567 -13.415 879 HA ASP 114 HA ASP 114 17.410 -2.300 -13.461 880 HB2 ASP 114 2HB ASP 114 18.169 -2.565 -11.061 881 HB3 ASP 114 1HB ASP 114 19.746 -1.960 -11.559
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