NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
578693 | 2mm9 | 19849 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 18.874 -2.727 -4.051 2 H2 MET 1 HT2 MET 1 19.093 -1.517 -2.889 3 H3 MET 1 HT3 MET 1 17.532 -1.960 -3.360 4 HA MET 1 HA MET 1 17.815 -4.143 -2.423 5 HB2 MET 1 HB2 MET 1 19.810 -4.597 -1.022 6 HB3 MET 1 HB1 MET 1 20.211 -4.398 -2.721 7 HG2 MET 1 HG2 MET 1 20.959 -2.125 -2.291 8 HG3 MET 1 HG1 MET 1 20.530 -2.296 -0.591 9 HE1 MET 1 HE1 MET 1 23.354 -1.320 -1.617 10 HE2 MET 1 HE2 MET 1 24.441 -2.218 -0.559 11 HE3 MET 1 HE3 MET 1 22.969 -1.501 0.093 12 H VAL 2 HN VAL 2 16.627 -4.267 -0.624 13 HA VAL 2 HA VAL 2 16.923 -2.299 1.493 14 HB VAL 2 HB VAL 2 15.140 -1.701 -0.350 15 HG11 VAL 2 HG11 VAL 2 13.824 -3.904 1.188 16 HG12 VAL 2 HG12 VAL 2 13.874 -3.638 -0.556 17 HG13 VAL 2 HG13 VAL 2 12.877 -2.606 0.470 18 HG21 VAL 2 HG21 VAL 2 14.538 -1.645 2.582 19 HG22 VAL 2 HG22 VAL 2 13.728 -0.672 1.355 20 HG23 VAL 2 HG23 VAL 2 15.451 -0.447 1.667 21 H THR 3 HN THR 3 15.488 -2.991 3.410 22 HA THR 3 HA THR 3 14.844 -5.863 3.311 23 HB THR 3 HB THR 3 14.771 -5.791 5.775 24 HG1 THR 3 HG1 THR 3 16.055 -3.473 6.202 25 HG21 THR 3 HG21 THR 3 16.879 -6.397 4.710 26 HG22 THR 3 HG22 THR 3 17.177 -5.490 6.194 27 HG23 THR 3 HG23 THR 3 17.341 -4.697 4.627 28 H LYS 4 HN LYS 4 12.751 -6.504 3.861 29 HA LYS 4 HA LYS 4 10.645 -4.649 3.449 30 HB2 LYS 4 HB2 LYS 4 10.410 -6.999 2.850 31 HB3 LYS 4 HB1 LYS 4 10.650 -7.476 4.521 32 HG2 LYS 4 HG2 LYS 4 8.557 -6.269 5.108 33 HG3 LYS 4 HG1 LYS 4 8.303 -5.982 3.382 34 HD2 LYS 4 HD2 LYS 4 8.182 -8.329 2.935 35 HD3 LYS 4 HD1 LYS 4 8.674 -8.721 4.580 36 HE2 LYS 4 HE2 LYS 4 6.110 -7.360 3.770 37 HE3 LYS 4 HE1 LYS 4 6.277 -9.044 4.258 38 HZ1 LYS 4 HZ1 LYS 4 5.526 -7.913 6.144 39 HZ2 LYS 4 HZ2 LYS 4 6.584 -6.614 5.924 40 HZ3 LYS 4 HZ3 LYS 4 7.182 -8.120 6.419 41 H GLU 5 HN GLU 5 12.579 -5.409 6.069 42 HA GLU 5 HA GLU 5 10.641 -5.215 8.162 43 HB2 GLU 5 HB2 GLU 5 13.633 -5.341 8.064 44 HB3 GLU 5 HB1 GLU 5 12.797 -5.022 9.581 45 HG2 GLU 5 HG2 GLU 5 12.371 -7.445 7.849 46 HG3 GLU 5 HG1 GLU 5 13.413 -7.387 9.269 47 H GLN 6 HN GLN 6 12.914 -3.115 6.622 48 HA GLN 6 HA GLN 6 12.282 -0.904 8.361 49 HB2 GLN 6 HB2 GLN 6 13.802 0.377 6.977 50 HB3 GLN 6 HB1 GLN 6 14.521 -1.168 7.383 51 HG2 GLN 6 HG2 GLN 6 15.052 -1.210 5.223 52 HG3 GLN 6 HG1 GLN 6 13.400 -1.805 5.037 53 HE21 GLN 6 HE21 GLN 6 11.858 -0.460 4.125 54 HE22 GLN 6 HE22 GLN 6 12.260 1.030 3.328 55 H VAL 7 HN VAL 7 11.123 -2.359 5.511 56 HA VAL 7 HA VAL 7 9.809 -0.084 4.341 57 HB VAL 7 HB VAL 7 9.503 -3.072 3.994 58 HG11 VAL 7 HG11 VAL 7 7.926 -0.944 2.564 59 HG12 VAL 7 HG12 VAL 7 7.287 -2.099 3.734 60 HG13 VAL 7 HG13 VAL 7 7.920 -2.666 2.189 61 HG21 VAL 7 HG21 VAL 7 10.449 -0.886 2.147 62 HG22 VAL 7 HG22 VAL 7 10.311 -2.591 1.721 63 HG23 VAL 7 HG23 VAL 7 11.458 -2.082 2.960 64 H GLU 8 HN GLU 8 9.119 -2.603 6.535 65 HA GLU 8 HA GLU 8 6.444 -2.410 7.087 66 HB2 GLU 8 HB2 GLU 8 8.918 -3.111 8.589 67 HB3 GLU 8 HB1 GLU 8 7.384 -3.050 9.461 68 HG2 GLU 8 HG2 GLU 8 8.167 -4.840 7.177 69 HG3 GLU 8 HG1 GLU 8 7.776 -5.306 8.831 70 H ALA 9 HN ALA 9 9.156 -0.719 8.629 71 HA ALA 9 HA ALA 9 7.339 0.814 10.283 72 HB1 ALA 9 HB1 ALA 9 9.388 1.754 11.259 73 HB2 ALA 9 HB2 ALA 9 10.347 0.880 10.065 74 HB3 ALA 9 HB3 ALA 9 9.408 -0.009 11.263 75 H SER 10 HN SER 10 9.019 1.085 7.314 76 HA SER 10 HA SER 10 9.331 3.941 7.350 77 HB2 SER 10 HB2 SER 10 10.687 2.372 5.917 78 HB3 SER 10 HB1 SER 10 9.264 2.187 4.891 79 HG SER 10 HG SER 10 10.256 3.835 3.937 80 H LEU 11 HN LEU 11 7.074 1.803 5.614 81 HA LEU 11 HA LEU 11 5.549 3.885 4.480 82 HB2 LEU 11 HB2 LEU 11 5.042 0.981 5.012 83 HB3 LEU 11 HB1 LEU 11 3.730 2.004 4.463 84 HG LEU 11 HG LEU 11 4.961 2.533 2.421 85 HD11 LEU 11 HD11 LEU 11 7.076 0.687 3.510 86 HD12 LEU 11 HD12 LEU 11 7.237 2.418 3.212 87 HD13 LEU 11 HD13 LEU 11 7.018 1.307 1.859 88 HD21 LEU 11 HD21 LEU 11 4.788 -0.421 2.979 89 HD22 LEU 11 HD22 LEU 11 4.860 0.324 1.383 90 HD23 LEU 11 HD23 LEU 11 3.472 0.617 2.431 91 H THR 12 HN THR 12 5.283 2.145 7.520 92 HA THR 12 HA THR 12 2.838 3.150 8.410 93 HB THR 12 HB THR 12 5.255 2.464 10.096 94 HG1 THR 12 HG1 THR 12 4.923 0.570 9.167 95 HG21 THR 12 HG21 THR 12 2.306 2.390 10.732 96 HG22 THR 12 HG22 THR 12 3.454 3.585 11.337 97 HG23 THR 12 HG23 THR 12 3.608 1.894 11.811 98 H SER 13 HN SER 13 5.887 4.692 8.084 99 HA SER 13 HA SER 13 5.282 6.773 10.034 100 HB2 SER 13 HB2 SER 13 7.703 6.360 8.275 101 HB3 SER 13 HB1 SER 13 7.561 7.567 9.554 102 HG SER 13 HG SER 13 7.663 4.740 9.790 103 H LYS 14 HN LYS 14 5.685 6.336 6.568 104 HA LYS 14 HA LYS 14 5.524 9.206 6.099 105 HB2 LYS 14 HB2 LYS 14 5.923 6.946 4.131 106 HB3 LYS 14 HB1 LYS 14 6.163 8.661 3.817 107 HG2 LYS 14 HG2 LYS 14 8.019 8.731 5.346 108 HG3 LYS 14 HG1 LYS 14 7.735 7.059 5.821 109 HD2 LYS 14 HD2 LYS 14 8.199 6.369 3.482 110 HD3 LYS 14 HD1 LYS 14 8.601 8.046 3.104 111 HE2 LYS 14 HE2 LYS 14 10.389 8.003 4.758 112 HE3 LYS 14 HE1 LYS 14 9.967 6.349 5.189 113 HZ1 LYS 14 HZ1 LYS 14 11.844 6.356 3.722 114 HZ2 LYS 14 HZ2 LYS 14 11.016 7.279 2.572 115 HZ3 LYS 14 HZ3 LYS 14 10.521 5.685 2.901 116 H LEU 15 HN LEU 15 3.579 6.394 5.983 117 HA LEU 15 HA LEU 15 1.571 7.778 4.351 118 HB2 LEU 15 HB2 LEU 15 2.461 5.753 3.352 119 HB3 LEU 15 HB1 LEU 15 2.133 4.844 4.812 120 HG LEU 15 HG LEU 15 0.588 4.416 2.875 121 HD11 LEU 15 HD11 LEU 15 -1.048 5.481 5.102 122 HD12 LEU 15 HD12 LEU 15 0.151 4.240 5.456 123 HD13 LEU 15 HD13 LEU 15 -1.133 3.919 4.279 124 HD21 LEU 15 HD21 LEU 15 0.387 6.706 2.058 125 HD22 LEU 15 HD22 LEU 15 -0.424 7.178 3.552 126 HD23 LEU 15 HD23 LEU 15 -1.194 6.034 2.452 127 H LYS 16 HN LYS 16 2.364 6.392 7.367 128 HA LYS 16 HA LYS 16 1.430 6.772 9.411 129 HB2 LYS 16 HB2 LYS 16 -1.089 7.477 7.908 130 HB3 LYS 16 HB1 LYS 16 -0.983 7.423 9.661 131 HG2 LYS 16 HG2 LYS 16 0.617 9.206 9.681 132 HG3 LYS 16 HG1 LYS 16 0.725 9.186 7.919 133 HD2 LYS 16 HD2 LYS 16 -1.799 9.791 9.456 134 HD3 LYS 16 HD1 LYS 16 -0.695 11.022 8.841 135 HE2 LYS 16 HE2 LYS 16 -2.115 8.960 7.154 136 HE3 LYS 16 HE1 LYS 16 -2.631 10.630 7.355 137 HZ1 LYS 16 HZ1 LYS 16 -0.115 9.684 6.100 138 HZ2 LYS 16 HZ2 LYS 16 -0.444 11.304 6.437 139 HZ3 LYS 16 HZ3 LYS 16 -1.408 10.459 5.332 140 HA PRO 17 HA PRO 17 0.211 2.628 10.060 141 HB2 PRO 17 HB2 PRO 17 -0.516 2.712 12.657 142 HB3 PRO 17 HB1 PRO 17 1.162 2.908 12.145 143 HG2 PRO 17 HG2 PRO 17 -0.842 4.998 12.893 144 HG3 PRO 17 HG1 PRO 17 0.866 4.872 13.351 145 HD2 PRO 17 HD2 PRO 17 -0.007 6.507 11.371 146 HD3 PRO 17 HD1 PRO 17 1.597 5.749 11.357 147 H ILE 18 HN ILE 18 -1.752 3.336 8.567 148 HA ILE 18 HA ILE 18 -4.247 3.109 10.095 149 HB ILE 18 HB ILE 18 -4.099 3.431 7.117 150 HG12 ILE 18 HG12 ILE 18 -2.681 5.208 8.078 151 HG13 ILE 18 HG11 ILE 18 -4.162 5.877 7.405 152 HG21 ILE 18 HG21 ILE 18 -6.264 2.901 8.116 153 HG22 ILE 18 HG22 ILE 18 -6.272 4.539 7.462 154 HG23 ILE 18 HG23 ILE 18 -6.119 4.285 9.201 155 HD11 ILE 18 HD11 ILE 18 -5.103 6.023 9.663 156 HD12 ILE 18 HD12 ILE 18 -3.608 6.946 9.502 157 HD13 ILE 18 HD13 ILE 18 -3.597 5.384 10.322 158 H HIS 19 HN HIS 19 -3.437 1.884 6.855 159 HA HIS 19 HA HIS 19 -3.573 -0.854 7.829 160 HB2 HIS 19 HB2 HIS 19 -5.887 -0.252 7.115 161 HB3 HIS 19 HB1 HIS 19 -5.241 0.128 5.524 162 HD1 HIS 19 HD1 HIS 19 -5.918 -2.798 7.791 163 HD2 HIS 19 HD2 HIS 19 -4.807 -2.040 3.854 164 HE1 HIS 19 HE1 HIS 19 -6.130 -4.995 6.584 165 HE2 HIS 19 HE2 HIS 19 -5.591 -4.483 4.178 166 H LEU 20 HN LEU 20 -1.530 -1.266 7.299 167 HA LEU 20 HA LEU 20 -0.839 -1.110 4.445 168 HB2 LEU 20 HB2 LEU 20 0.975 -0.646 6.814 169 HB3 LEU 20 HB1 LEU 20 1.523 -0.786 5.158 170 HG LEU 20 HG LEU 20 -0.451 1.327 5.970 171 HD11 LEU 20 HD11 LEU 20 1.472 2.858 6.162 172 HD12 LEU 20 HD12 LEU 20 2.557 1.474 6.043 173 HD13 LEU 20 HD13 LEU 20 1.462 1.620 7.416 174 HD21 LEU 20 HD21 LEU 20 0.469 2.443 3.985 175 HD22 LEU 20 HD22 LEU 20 -0.229 0.872 3.598 176 HD23 LEU 20 HD23 LEU 20 1.521 1.057 3.704 177 H GLU 21 HN GLU 21 -0.227 -2.949 3.605 178 HA GLU 21 HA GLU 21 0.997 -5.027 5.197 179 HB2 GLU 21 HB2 GLU 21 -1.488 -5.503 3.533 180 HB3 GLU 21 HB1 GLU 21 -0.462 -6.780 4.167 181 HG2 GLU 21 HG2 GLU 21 -0.947 -5.767 6.464 182 HG3 GLU 21 HG1 GLU 21 -2.245 -4.892 5.656 183 H VAL 22 HN VAL 22 2.851 -4.770 4.114 184 HA VAL 22 HA VAL 22 2.832 -5.062 1.195 185 HB VAL 22 HB VAL 22 5.447 -4.593 1.943 186 HG11 VAL 22 HG11 VAL 22 4.173 -3.611 0.061 187 HG12 VAL 22 HG12 VAL 22 5.226 -2.479 0.909 188 HG13 VAL 22 HG13 VAL 22 3.492 -2.461 1.211 189 HG21 VAL 22 HG21 VAL 22 5.263 -2.543 3.391 190 HG22 VAL 22 HG22 VAL 22 4.903 -4.060 4.213 191 HG23 VAL 22 HG23 VAL 22 3.580 -3.001 3.699 192 H ILE 23 HN ILE 23 4.103 -6.688 0.259 193 HA ILE 23 HA ILE 23 5.268 -8.690 1.981 194 HB ILE 23 HB ILE 23 3.098 -9.487 0.030 195 HG12 ILE 23 HG12 ILE 23 2.785 -9.505 3.029 196 HG13 ILE 23 HG11 ILE 23 2.299 -8.118 2.062 197 HG21 ILE 23 HG21 ILE 23 3.230 -11.637 1.210 198 HG22 ILE 23 HG22 ILE 23 4.518 -10.988 2.226 199 HG23 ILE 23 HG23 ILE 23 4.775 -11.182 0.491 200 HD11 ILE 23 HD11 ILE 23 1.223 -10.916 1.839 201 HD12 ILE 23 HD12 ILE 23 0.756 -9.557 0.815 202 HD13 ILE 23 HD13 ILE 23 0.403 -9.521 2.543 203 H ASP 24 HN ASP 24 7.132 -8.998 1.025 204 HA ASP 24 HA ASP 24 7.793 -8.444 -1.640 205 HB2 ASP 24 HB2 ASP 24 9.492 -8.747 0.164 206 HB3 ASP 24 HB1 ASP 24 9.152 -10.473 0.154 207 H ILE 25 HN ILE 25 6.759 -9.302 -3.255 208 HA ILE 25 HA ILE 25 6.530 -12.242 -3.375 209 HB ILE 25 HB ILE 25 4.744 -10.294 -4.858 210 HG12 ILE 25 HG12 ILE 25 4.344 -10.105 -2.438 211 HG13 ILE 25 HG11 ILE 25 2.985 -10.876 -3.247 212 HG21 ILE 25 HG21 ILE 25 4.954 -12.476 -5.913 213 HG22 ILE 25 HG22 ILE 25 3.341 -12.273 -5.230 214 HG23 ILE 25 HG23 ILE 25 4.532 -13.264 -4.394 215 HD11 ILE 25 HD11 ILE 25 3.828 -13.064 -2.517 216 HD12 ILE 25 HD12 ILE 25 3.454 -11.987 -1.171 217 HD13 ILE 25 HD13 ILE 25 5.131 -12.244 -1.654 218 H SER 26 HN SER 26 8.887 -11.138 -4.023 219 HA SER 26 HA SER 26 8.973 -11.472 -6.932 220 HB2 SER 26 HB2 SER 26 10.548 -9.484 -7.025 221 HB3 SER 26 HB1 SER 26 8.852 -9.106 -6.721 222 HG SER 26 HG SER 26 9.299 -8.709 -4.606 223 H GLY 27 HN GLY 27 11.291 -10.335 -4.538 224 HA2 GLY 27 HA2 GLY 27 13.089 -12.532 -5.307 225 HA3 GLY 27 HA1 GLY 27 13.592 -10.998 -4.599 226 H GLY 28 HN GLY 28 14.033 -11.004 -2.476 227 HA2 GLY 28 HA2 GLY 28 12.536 -12.991 -0.881 228 HA3 GLY 28 HA1 GLY 28 14.248 -12.705 -0.608 229 H CYS 29 HN CYS 29 14.505 -10.080 -0.640 230 HA CYS 29 HA CYS 29 13.165 -9.500 1.928 231 HB2 CYS 29 HB2 CYS 29 15.544 -10.261 2.116 232 HB3 CYS 29 HB1 CYS 29 16.007 -8.861 1.152 233 HG CYS 29 HG CYS 29 16.478 -8.678 4.043 234 H GLY 30 HN GLY 30 14.479 -8.300 -1.048 235 HA2 GLY 30 HA2 GLY 30 14.501 -5.560 -0.042 236 HA3 GLY 30 HA1 GLY 30 15.498 -6.222 -1.336 237 H SER 31 HN SER 31 12.720 -7.634 -1.898 238 HA SER 31 HA SER 31 12.888 -5.905 -4.165 239 HB2 SER 31 HB2 SER 31 12.155 -8.781 -4.009 240 HB3 SER 31 HB1 SER 31 12.486 -7.900 -5.473 241 HG SER 31 HG SER 31 14.429 -8.658 -5.140 242 H SER 32 HN SER 32 11.012 -6.495 -5.700 243 HA SER 32 HA SER 32 9.093 -4.694 -5.283 244 HB2 SER 32 HB2 SER 32 8.454 -7.299 -6.647 245 HB3 SER 32 HB1 SER 32 7.843 -5.695 -7.035 246 HG SER 32 HG SER 32 9.588 -6.524 -8.406 247 H PHE 33 HN PHE 33 7.781 -4.365 -3.673 248 HA PHE 33 HA PHE 33 6.651 -6.632 -2.203 249 HB2 PHE 33 HB2 PHE 33 6.724 -3.710 -1.426 250 HB3 PHE 33 HB1 PHE 33 6.263 -5.064 -0.397 251 HD1 PHE 33 HD2 PHE 33 7.983 -6.796 0.154 252 HD2 PHE 33 HD1 PHE 33 8.948 -3.066 -1.640 253 HE1 PHE 33 HE2 PHE 33 10.349 -7.062 0.845 254 HE2 PHE 33 HE1 PHE 33 11.302 -3.351 -0.995 255 HZ PHE 33 HZ PHE 33 12.001 -5.339 0.235 256 H GLU 34 HN GLU 34 4.511 -6.949 -2.026 257 HA GLU 34 HA GLU 34 2.763 -5.208 -3.614 258 HB2 GLU 34 HB2 GLU 34 2.083 -7.832 -2.277 259 HB3 GLU 34 HB1 GLU 34 1.167 -7.001 -3.525 260 HG2 GLU 34 HG2 GLU 34 3.954 -8.005 -4.002 261 HG3 GLU 34 HG1 GLU 34 2.536 -9.030 -4.219 262 H VAL 35 HN VAL 35 2.130 -3.506 -2.417 263 HA VAL 35 HA VAL 35 1.484 -3.857 0.389 264 HB VAL 35 HB VAL 35 2.838 -1.908 -0.393 265 HG11 VAL 35 HG11 VAL 35 1.671 -1.382 -2.443 266 HG12 VAL 35 HG12 VAL 35 1.706 0.015 -1.365 267 HG13 VAL 35 HG13 VAL 35 0.231 -0.939 -1.523 268 HG21 VAL 35 HG21 VAL 35 1.761 -0.290 1.082 269 HG22 VAL 35 HG22 VAL 35 1.727 -1.910 1.779 270 HG23 VAL 35 HG23 VAL 35 0.277 -1.238 1.038 271 H GLU 36 HN GLU 36 -0.447 -3.712 1.295 272 HA GLU 36 HA GLU 36 -2.771 -2.961 -0.346 273 HB2 GLU 36 HB2 GLU 36 -2.871 -5.281 0.503 274 HB3 GLU 36 HB1 GLU 36 -2.651 -4.687 2.142 275 HG2 GLU 36 HG2 GLU 36 -4.766 -3.483 1.991 276 HG3 GLU 36 HG1 GLU 36 -4.992 -4.091 0.353 277 H VAL 37 HN VAL 37 -3.241 -0.893 0.069 278 HA VAL 37 HA VAL 37 -2.715 0.151 2.764 279 HB VAL 37 HB VAL 37 -2.893 1.771 0.228 280 HG11 VAL 37 HG11 VAL 37 -1.787 3.500 1.568 281 HG12 VAL 37 HG12 VAL 37 -1.842 2.432 2.970 282 HG13 VAL 37 HG13 VAL 37 -3.341 3.018 2.250 283 HG21 VAL 37 HG21 VAL 37 -0.422 0.737 1.599 284 HG22 VAL 37 HG22 VAL 37 -0.441 1.922 0.294 285 HG23 VAL 37 HG23 VAL 37 -1.008 0.278 0.001 286 H VAL 38 HN VAL 38 -4.354 0.852 3.877 287 HA VAL 38 HA VAL 38 -6.612 2.074 2.464 288 HB VAL 38 HB VAL 38 -6.845 0.427 4.999 289 HG11 VAL 38 HG11 VAL 38 -8.284 2.383 5.107 290 HG12 VAL 38 HG12 VAL 38 -9.234 0.912 4.898 291 HG13 VAL 38 HG13 VAL 38 -8.956 1.985 3.526 292 HG21 VAL 38 HG21 VAL 38 -7.941 -0.003 2.233 293 HG22 VAL 38 HG22 VAL 38 -8.344 -0.977 3.648 294 HG23 VAL 38 HG23 VAL 38 -6.691 -0.960 3.028 295 H SER 39 HN SER 39 -6.046 4.126 2.699 296 HA SER 39 HA SER 39 -5.775 5.179 5.398 297 HB2 SER 39 HB2 SER 39 -3.467 4.570 4.586 298 HB3 SER 39 HB1 SER 39 -3.677 5.762 3.305 299 HG SER 39 HG SER 39 -2.847 6.174 5.775 300 H GLU 40 HN GLU 40 -5.665 7.573 5.358 301 HA GLU 40 HA GLU 40 -8.078 8.413 4.177 302 HB2 GLU 40 HB2 GLU 40 -7.765 10.442 5.353 303 HB3 GLU 40 HB1 GLU 40 -7.069 9.173 6.350 304 HG2 GLU 40 HG2 GLU 40 -4.847 9.774 5.659 305 HG3 GLU 40 HG1 GLU 40 -5.489 10.975 4.539 306 H GLN 41 HN GLN 41 -5.330 8.029 2.549 307 HA GLN 41 HA GLN 41 -5.389 10.590 1.127 308 HB2 GLN 41 HB2 GLN 41 -3.485 8.253 1.058 309 HB3 GLN 41 HB1 GLN 41 -3.462 9.483 -0.196 310 HG2 GLN 41 HG2 GLN 41 -1.776 10.047 1.359 311 HG3 GLN 41 HG1 GLN 41 -3.094 11.188 1.595 312 HE21 GLN 41 HE21 GLN 41 -3.135 7.893 2.778 313 HE22 GLN 41 HE22 GLN 41 -3.060 8.291 4.451 314 H PHE 42 HN PHE 42 -7.104 7.979 1.173 315 HA PHE 42 HA PHE 42 -7.562 7.910 -1.733 316 HB2 PHE 42 HB2 PHE 42 -8.036 5.729 0.302 317 HB3 PHE 42 HB1 PHE 42 -8.286 5.588 -1.435 318 HD1 PHE 42 HD2 PHE 42 -5.679 7.100 -2.172 319 HD2 PHE 42 HD1 PHE 42 -6.551 3.928 0.525 320 HE1 PHE 42 HE2 PHE 42 -3.370 6.278 -2.395 321 HE2 PHE 42 HE1 PHE 42 -4.248 3.111 0.312 322 HZ PHE 42 HZ PHE 42 -2.655 4.283 -1.147 323 H GLU 43 HN GLU 43 -8.670 9.549 0.594 324 HA GLU 43 HA GLU 43 -11.278 8.324 1.115 325 HB2 GLU 43 HB2 GLU 43 -9.944 9.275 2.979 326 HB3 GLU 43 HB1 GLU 43 -10.081 10.863 2.242 327 HG2 GLU 43 HG2 GLU 43 -11.648 10.476 4.120 328 HG3 GLU 43 HG1 GLU 43 -12.436 10.913 2.604 329 H GLY 44 HN GLY 44 -12.906 8.691 -0.248 330 HA2 GLY 44 HA2 GLY 44 -14.049 9.619 -2.014 331 HA3 GLY 44 HA1 GLY 44 -13.836 11.136 -1.148 332 H LYS 45 HN LYS 45 -11.139 9.273 -2.301 333 HA LYS 45 HA LYS 45 -10.325 11.520 -3.980 334 HB2 LYS 45 HB2 LYS 45 -8.786 9.105 -3.017 335 HB3 LYS 45 HB1 LYS 45 -8.113 10.471 -3.856 336 HG2 LYS 45 HG2 LYS 45 -9.490 10.793 -1.230 337 HG3 LYS 45 HG1 LYS 45 -7.776 10.397 -1.355 338 HD2 LYS 45 HD2 LYS 45 -9.017 12.789 -2.695 339 HD3 LYS 45 HD1 LYS 45 -8.329 12.842 -1.074 340 HE2 LYS 45 HE2 LYS 45 -6.175 12.042 -2.018 341 HE3 LYS 45 HE1 LYS 45 -6.882 12.144 -3.630 342 HZ1 LYS 45 HZ1 LYS 45 -5.590 14.107 -3.136 343 HZ2 LYS 45 HZ2 LYS 45 -6.499 14.409 -1.746 344 HZ3 LYS 45 HZ3 LYS 45 -7.223 14.521 -3.270 345 H ARG 46 HN ARG 46 -9.166 10.942 -6.014 346 HA ARG 46 HA ARG 46 -10.679 8.894 -7.440 347 HB2 ARG 46 HB2 ARG 46 -8.830 11.080 -8.412 348 HB3 ARG 46 HB1 ARG 46 -9.556 9.884 -9.468 349 HG2 ARG 46 HG2 ARG 46 -10.884 11.808 -9.669 350 HG3 ARG 46 HG1 ARG 46 -11.800 10.708 -8.640 351 HD2 ARG 46 HD2 ARG 46 -10.976 11.913 -6.657 352 HD3 ARG 46 HD1 ARG 46 -10.117 13.032 -7.712 353 HE ARG 46 HE ARG 46 -12.780 13.057 -8.496 354 HH11 ARG 46 HH11 ARG 46 -10.892 13.874 -5.668 355 HH12 ARG 46 HH12 ARG 46 -11.979 15.113 -5.133 356 HH21 ARG 46 HH21 ARG 46 -14.214 14.684 -7.816 357 HH22 ARG 46 HH22 ARG 46 -13.888 15.573 -6.360 358 H LEU 47 HN LEU 47 -9.845 7.075 -8.077 359 HA LEU 47 HA LEU 47 -7.869 5.796 -6.763 360 HB2 LEU 47 HB2 LEU 47 -8.978 5.267 -9.497 361 HB3 LEU 47 HB1 LEU 47 -7.809 4.196 -8.758 362 HG LEU 47 HG LEU 47 -9.418 3.867 -6.857 363 HD11 LEU 47 HD11 LEU 47 -11.305 5.341 -8.688 364 HD12 LEU 47 HD12 LEU 47 -10.759 5.869 -7.096 365 HD13 LEU 47 HD13 LEU 47 -11.773 4.435 -7.250 366 HD21 LEU 47 HD21 LEU 47 -9.196 2.239 -8.655 367 HD22 LEU 47 HD22 LEU 47 -10.393 3.114 -9.608 368 HD23 LEU 47 HD23 LEU 47 -10.864 2.340 -8.095 369 H LEU 48 HN LEU 48 -7.418 7.702 -9.626 370 HA LEU 48 HA LEU 48 -4.829 6.692 -10.264 371 HB2 LEU 48 HB2 LEU 48 -6.105 9.295 -11.103 372 HB3 LEU 48 HB1 LEU 48 -4.685 8.566 -11.826 373 HG LEU 48 HG LEU 48 -7.505 7.495 -11.926 374 HD11 LEU 48 HD11 LEU 48 -5.679 8.597 -14.055 375 HD12 LEU 48 HD12 LEU 48 -7.121 9.375 -13.406 376 HD13 LEU 48 HD13 LEU 48 -7.266 7.885 -14.336 377 HD21 LEU 48 HD21 LEU 48 -4.955 6.326 -13.034 378 HD22 LEU 48 HD22 LEU 48 -6.581 5.748 -13.393 379 HD23 LEU 48 HD23 LEU 48 -5.950 5.642 -11.750 380 H GLU 49 HN GLU 49 -6.053 9.591 -8.672 381 HA GLU 49 HA GLU 49 -3.487 10.682 -8.065 382 HB2 GLU 49 HB2 GLU 49 -5.802 11.333 -6.321 383 HB3 GLU 49 HB1 GLU 49 -4.634 12.407 -7.079 384 HG2 GLU 49 HG2 GLU 49 -6.961 11.071 -8.421 385 HG3 GLU 49 HG1 GLU 49 -6.853 12.773 -7.970 386 H ARG 50 HN ARG 50 -5.697 8.450 -6.678 387 HA ARG 50 HA ARG 50 -4.853 8.268 -4.043 388 HB2 ARG 50 HB2 ARG 50 -5.959 6.278 -6.013 389 HB3 ARG 50 HB1 ARG 50 -5.552 5.789 -4.361 390 HG2 ARG 50 HG2 ARG 50 -7.094 7.662 -3.607 391 HG3 ARG 50 HG1 ARG 50 -7.633 7.743 -5.285 392 HD2 ARG 50 HD2 ARG 50 -8.028 5.208 -5.056 393 HD3 ARG 50 HD1 ARG 50 -7.916 5.494 -3.325 394 HE ARG 50 HE ARG 50 -9.744 7.296 -4.525 395 HH11 ARG 50 HH11 ARG 50 -9.428 3.958 -3.495 396 HH12 ARG 50 HH12 ARG 50 -11.136 3.738 -3.287 397 HH21 ARG 50 HH21 ARG 50 -11.978 7.006 -4.248 398 HH22 ARG 50 HH22 ARG 50 -12.586 5.482 -3.671 399 H HIS 51 HN HIS 51 -3.702 6.487 -6.889 400 HA HIS 51 HA HIS 51 -1.677 5.113 -5.398 401 HB2 HIS 51 HB2 HIS 51 -1.884 5.444 -8.401 402 HB3 HIS 51 HB1 HIS 51 -0.911 4.251 -7.551 403 HD1 HIS 51 HD1 HIS 51 -3.674 4.164 -9.532 404 HD2 HIS 51 HD2 HIS 51 -3.080 2.855 -5.649 405 HE1 HIS 51 HE1 HIS 51 -5.452 2.454 -9.093 406 HE2 HIS 51 HE2 HIS 51 -4.975 1.562 -6.808 407 H ARG 52 HN ARG 52 -1.797 7.922 -7.465 408 HA ARG 52 HA ARG 52 0.988 8.368 -7.643 409 HB2 ARG 52 HB2 ARG 52 -0.719 9.287 -9.198 410 HB3 ARG 52 HB1 ARG 52 -1.296 10.337 -7.917 411 HG2 ARG 52 HG2 ARG 52 1.567 10.580 -8.468 412 HG3 ARG 52 HG1 ARG 52 0.520 11.028 -9.815 413 HD2 ARG 52 HD2 ARG 52 0.324 12.102 -7.005 414 HD3 ARG 52 HD1 ARG 52 1.050 12.944 -8.372 415 HE ARG 52 HE ARG 52 -1.546 12.263 -9.111 416 HH11 ARG 52 HH11 ARG 52 0.033 14.263 -6.718 417 HH12 ARG 52 HH12 ARG 52 -1.253 15.424 -6.646 418 HH21 ARG 52 HH21 ARG 52 -3.278 13.775 -8.992 419 HH22 ARG 52 HH22 ARG 52 -3.129 15.150 -7.939 420 H MET 53 HN MET 53 -1.194 8.733 -5.074 421 HA MET 53 HA MET 53 0.349 10.894 -3.850 422 HB2 MET 53 HB2 MET 53 -2.296 10.557 -3.857 423 HB3 MET 53 HB1 MET 53 -1.936 9.576 -2.445 424 HG2 MET 53 HG2 MET 53 -1.158 12.464 -2.788 425 HG3 MET 53 HG1 MET 53 -2.559 11.889 -1.890 426 HE1 MET 53 HE1 MET 53 -1.718 13.312 0.219 427 HE2 MET 53 HE2 MET 53 -0.323 13.849 -0.717 428 HE3 MET 53 HE3 MET 53 -0.096 13.172 0.895 429 H VAL 54 HN VAL 54 -0.549 7.536 -3.379 430 HA VAL 54 HA VAL 54 0.795 7.186 -0.916 431 HB VAL 54 HB VAL 54 -0.864 5.669 -2.504 432 HG11 VAL 54 HG11 VAL 54 1.736 4.172 -2.312 433 HG12 VAL 54 HG12 VAL 54 1.046 4.830 -3.796 434 HG13 VAL 54 HG13 VAL 54 0.204 3.547 -2.924 435 HG21 VAL 54 HG21 VAL 54 -0.708 3.999 -0.671 436 HG22 VAL 54 HG22 VAL 54 -0.898 5.657 -0.105 437 HG23 VAL 54 HG23 VAL 54 0.685 4.882 -0.047 438 H ASN 55 HN ASN 55 1.715 6.724 -4.282 439 HA ASN 55 HA ASN 55 4.273 5.653 -3.552 440 HB2 ASN 55 HB2 ASN 55 4.736 5.378 -5.779 441 HB3 ASN 55 HB1 ASN 55 2.983 5.250 -5.785 442 HD21 ASN 55 HD21 ASN 55 2.479 8.024 -5.496 443 HD22 ASN 55 HD22 ASN 55 2.996 8.837 -6.932 444 H ALA 56 HN ALA 56 2.938 8.760 -3.829 445 HA ALA 56 HA ALA 56 5.257 10.245 -4.365 446 HB1 ALA 56 HB1 ALA 56 3.057 11.298 -4.221 447 HB2 ALA 56 HB2 ALA 56 4.197 12.078 -3.126 448 HB3 ALA 56 HB3 ALA 56 2.996 10.954 -2.494 449 H ALA 57 HN ALA 57 4.019 8.772 -1.444 450 HA ALA 57 HA ALA 57 6.215 9.799 0.174 451 HB1 ALA 57 HB1 ALA 57 3.995 9.852 1.133 452 HB2 ALA 57 HB2 ALA 57 4.986 8.697 2.027 453 HB3 ALA 57 HB3 ALA 57 3.800 8.122 0.852 454 H LEU 58 HN LEU 58 5.770 7.337 -1.904 455 HA LEU 58 HA LEU 58 7.393 5.413 -0.389 456 HB2 LEU 58 HB2 LEU 58 4.808 5.114 -1.777 457 HB3 LEU 58 HB1 LEU 58 5.975 3.852 -2.079 458 HG LEU 58 HG LEU 58 6.072 3.358 0.329 459 HD11 LEU 58 HD11 LEU 58 5.621 5.590 1.199 460 HD12 LEU 58 HD12 LEU 58 4.494 4.411 1.872 461 HD13 LEU 58 HD13 LEU 58 3.969 5.502 0.590 462 HD21 LEU 58 HD21 LEU 58 4.441 2.193 -1.063 463 HD22 LEU 58 HD22 LEU 58 3.262 3.465 -0.756 464 HD23 LEU 58 HD23 LEU 58 3.822 2.443 0.568 465 H GLU 59 HN GLU 59 7.452 7.466 -2.836 466 HA GLU 59 HA GLU 59 8.315 5.819 -5.021 467 HB2 GLU 59 HB2 GLU 59 7.309 8.076 -5.400 468 HB3 GLU 59 HB1 GLU 59 8.743 8.799 -4.654 469 HG2 GLU 59 HG2 GLU 59 10.110 7.664 -6.429 470 HG3 GLU 59 HG1 GLU 59 8.593 7.239 -7.218 471 H GLU 60 HN GLU 60 9.855 7.693 -2.527 472 HA GLU 60 HA GLU 60 12.541 7.359 -3.320 473 HB2 GLU 60 HB2 GLU 60 12.966 7.818 -0.863 474 HB3 GLU 60 HB1 GLU 60 11.996 9.026 -1.691 475 HG2 GLU 60 HG2 GLU 60 9.950 7.824 -0.796 476 HG3 GLU 60 HG1 GLU 60 11.065 6.900 0.217 477 H GLU 61 HN GLU 61 10.263 5.535 -1.487 478 HA GLU 61 HA GLU 61 11.966 3.537 -0.470 479 HB2 GLU 61 HB2 GLU 61 9.437 4.313 -0.032 480 HB3 GLU 61 HB1 GLU 61 9.121 2.960 -1.108 481 HG2 GLU 61 HG2 GLU 61 9.000 2.180 1.147 482 HG3 GLU 61 HG1 GLU 61 10.456 1.512 0.408 483 H MET 62 HN MET 62 9.923 3.844 -3.308 484 HA MET 62 HA MET 62 10.286 1.275 -4.360 485 HB2 MET 62 HB2 MET 62 8.513 2.912 -5.010 486 HB3 MET 62 HB1 MET 62 9.735 3.820 -5.887 487 HG2 MET 62 HG2 MET 62 10.135 1.858 -7.312 488 HG3 MET 62 HG1 MET 62 8.851 1.003 -6.459 489 HE1 MET 62 HE1 MET 62 5.721 3.222 -7.360 490 HE2 MET 62 HE2 MET 62 6.802 3.521 -5.999 491 HE3 MET 62 HE3 MET 62 6.319 1.872 -6.397 492 H LYS 63 HN LYS 63 12.215 4.178 -4.594 493 HA LYS 63 HA LYS 63 13.820 3.331 -6.781 494 HB2 LYS 63 HB2 LYS 63 14.543 5.276 -4.581 495 HB3 LYS 63 HB1 LYS 63 15.335 5.128 -6.142 496 HG2 LYS 63 HG2 LYS 63 12.484 5.983 -5.704 497 HG3 LYS 63 HG1 LYS 63 13.844 7.052 -6.035 498 HD2 LYS 63 HD2 LYS 63 14.144 6.078 -8.216 499 HD3 LYS 63 HD1 LYS 63 12.910 4.861 -7.881 500 HE2 LYS 63 HE2 LYS 63 12.064 6.698 -9.288 501 HE3 LYS 63 HE1 LYS 63 11.204 6.565 -7.756 502 HZ1 LYS 63 HZ1 LYS 63 13.271 8.566 -8.484 503 HZ2 LYS 63 HZ2 LYS 63 12.674 8.371 -6.916 504 HZ3 LYS 63 HZ3 LYS 63 11.633 8.856 -8.159 505 H GLU 64 HN GLU 64 13.764 2.507 -3.443 506 HA GLU 64 HA GLU 64 16.547 1.588 -3.530 507 HB2 GLU 64 HB2 GLU 64 15.836 2.974 -1.608 508 HB3 GLU 64 HB1 GLU 64 14.662 1.738 -1.175 509 HG2 GLU 64 HG2 GLU 64 16.315 0.225 -0.532 510 HG3 GLU 64 HG1 GLU 64 17.580 1.105 -1.389 511 H ILE 65 HN ILE 65 13.311 0.461 -3.503 512 HA ILE 65 HA ILE 65 14.153 -2.320 -3.108 513 HB ILE 65 HB ILE 65 11.903 -2.889 -2.784 514 HG12 ILE 65 HG12 ILE 65 11.405 -0.598 -4.542 515 HG13 ILE 65 HG11 ILE 65 10.543 -2.112 -4.396 516 HG21 ILE 65 HG21 ILE 65 12.111 -0.071 -1.715 517 HG22 ILE 65 HG22 ILE 65 12.868 -1.480 -0.981 518 HG23 ILE 65 HG23 ILE 65 11.110 -1.372 -1.069 519 HD11 ILE 65 HD11 ILE 65 9.085 -0.284 -3.831 520 HD12 ILE 65 HD12 ILE 65 10.216 0.265 -2.592 521 HD13 ILE 65 HD13 ILE 65 9.391 -1.282 -2.410 522 H HIS 66 HN HIS 66 12.387 -3.690 -4.804 523 HA HIS 66 HA HIS 66 13.536 -2.867 -7.364 524 HB2 HIS 66 HB2 HIS 66 12.348 -5.414 -6.370 525 HB3 HIS 66 HB1 HIS 66 12.422 -5.116 -8.101 526 HD1 HIS 66 HD1 HIS 66 14.926 -4.430 -8.978 527 HD2 HIS 66 HD2 HIS 66 14.636 -6.401 -5.362 528 HE1 HIS 66 HE1 HIS 66 17.228 -5.243 -8.455 529 HE2 HIS 66 HE2 HIS 66 17.063 -6.344 -6.213 530 H ALA 67 HN ALA 67 10.501 -2.906 -5.729 531 HA ALA 67 HA ALA 67 9.190 -1.223 -7.476 532 HB1 ALA 67 HB1 ALA 67 8.540 -4.134 -7.921 533 HB2 ALA 67 HB2 ALA 67 9.181 -2.998 -9.106 534 HB3 ALA 67 HB3 ALA 67 7.542 -2.794 -8.485 535 H LEU 68 HN LEU 68 7.056 -0.817 -6.771 536 HA LEU 68 HA LEU 68 6.146 -2.295 -4.413 537 HB2 LEU 68 HB2 LEU 68 7.187 0.320 -4.385 538 HB3 LEU 68 HB1 LEU 68 5.445 0.479 -4.203 539 HG LEU 68 HG LEU 68 7.187 -1.245 -2.441 540 HD11 LEU 68 HD11 LEU 68 7.739 1.076 -2.096 541 HD12 LEU 68 HD12 LEU 68 6.777 0.495 -0.737 542 HD13 LEU 68 HD13 LEU 68 6.033 1.499 -1.980 543 HD21 LEU 68 HD21 LEU 68 4.884 -2.025 -2.607 544 HD22 LEU 68 HD22 LEU 68 4.298 -0.411 -2.210 545 HD23 LEU 68 HD23 LEU 68 5.202 -1.340 -1.014 546 H SER 69 HN SER 69 4.305 -3.167 -5.045 547 HA SER 69 HA SER 69 2.603 -1.711 -6.928 548 HB2 SER 69 HB2 SER 69 2.249 -4.567 -6.036 549 HB3 SER 69 HB1 SER 69 1.644 -3.798 -7.503 550 HG SER 69 HG SER 69 3.950 -5.088 -7.107 551 H ILE 70 HN ILE 70 1.110 -0.470 -5.948 552 HA ILE 70 HA ILE 70 -0.062 -1.327 -3.453 553 HB ILE 70 HB ILE 70 0.324 1.030 -3.601 554 HG12 ILE 70 HG12 ILE 70 -2.651 0.611 -3.948 555 HG13 ILE 70 HG11 ILE 70 -1.768 0.210 -2.482 556 HG21 ILE 70 HG21 ILE 70 -1.345 1.019 -6.107 557 HG22 ILE 70 HG22 ILE 70 0.384 1.343 -5.985 558 HG23 ILE 70 HG23 ILE 70 -0.774 2.465 -5.274 559 HD11 ILE 70 HD11 ILE 70 -2.947 2.367 -2.383 560 HD12 ILE 70 HD12 ILE 70 -1.914 2.956 -3.688 561 HD13 ILE 70 HD13 ILE 70 -1.209 2.506 -2.136 562 H LYS 71 HN LYS 71 -1.069 -3.145 -3.898 563 HA LYS 71 HA LYS 71 -2.630 -3.622 -6.214 564 HB2 LYS 71 HB2 LYS 71 -2.881 -5.110 -3.602 565 HB3 LYS 71 HB1 LYS 71 -3.124 -5.726 -5.231 566 HG2 LYS 71 HG2 LYS 71 -0.485 -4.793 -4.157 567 HG3 LYS 71 HG1 LYS 71 -1.019 -6.476 -4.145 568 HD2 LYS 71 HD2 LYS 71 -0.823 -4.805 -6.647 569 HD3 LYS 71 HD1 LYS 71 0.479 -5.845 -6.065 570 HE2 LYS 71 HE2 LYS 71 -2.310 -6.753 -6.775 571 HE3 LYS 71 HE1 LYS 71 -0.880 -6.947 -7.787 572 HZ1 LYS 71 HZ1 LYS 71 -1.294 -8.149 -5.104 573 HZ2 LYS 71 HZ2 LYS 71 0.117 -8.295 -6.029 574 HZ3 LYS 71 HZ3 LYS 71 -1.335 -8.968 -6.582 575 H LYS 72 HN LYS 72 -3.216 -2.289 -3.121 576 HA LYS 72 HA LYS 72 -6.019 -1.901 -3.791 577 HB2 LYS 72 HB2 LYS 72 -4.961 -3.273 -1.371 578 HB3 LYS 72 HB1 LYS 72 -6.435 -2.317 -1.244 579 HG2 LYS 72 HG2 LYS 72 -7.407 -3.614 -3.076 580 HG3 LYS 72 HG1 LYS 72 -5.951 -4.615 -3.124 581 HD2 LYS 72 HD2 LYS 72 -6.369 -5.211 -0.732 582 HD3 LYS 72 HD1 LYS 72 -7.912 -4.362 -0.847 583 HE2 LYS 72 HE2 LYS 72 -8.557 -5.866 -2.697 584 HE3 LYS 72 HE1 LYS 72 -7.044 -6.744 -2.481 585 HZ1 LYS 72 HZ1 LYS 72 -9.182 -6.466 -0.438 586 HZ2 LYS 72 HZ2 LYS 72 -7.737 -7.321 -0.242 587 HZ3 LYS 72 HZ3 LYS 72 -8.882 -7.847 -1.369 588 H ALA 73 HN ALA 73 -6.482 0.032 -3.750 589 HA ALA 73 HA ALA 73 -5.359 1.796 -1.669 590 HB1 ALA 73 HB1 ALA 73 -4.497 2.421 -3.889 591 HB2 ALA 73 HB2 ALA 73 -5.552 3.671 -3.230 592 HB3 ALA 73 HB3 ALA 73 -6.151 2.581 -4.480 593 H GLN 74 HN GLN 74 -7.009 1.589 -0.249 594 HA GLN 74 HA GLN 74 -9.669 2.440 -1.161 595 HB2 GLN 74 HB2 GLN 74 -9.057 -0.049 0.442 596 HB3 GLN 74 HB1 GLN 74 -10.674 0.601 0.199 597 HG2 GLN 74 HG2 GLN 74 -10.553 0.209 -2.152 598 HG3 GLN 74 HG1 GLN 74 -8.850 -0.225 -2.045 599 HE21 GLN 74 HE21 GLN 74 -11.164 -1.704 -3.071 600 HE22 GLN 74 HE22 GLN 74 -11.182 -3.200 -2.204 601 H THR 75 HN THR 75 -10.978 3.361 0.412 602 HA THR 75 HA THR 75 -9.692 4.016 2.947 603 HB THR 75 HB THR 75 -11.733 5.825 2.614 604 HG1 THR 75 HG1 THR 75 -10.693 6.433 0.294 605 HG21 THR 75 HG21 THR 75 -9.604 6.404 3.526 606 HG22 THR 75 HG22 THR 75 -9.843 7.400 2.091 607 HG23 THR 75 HG23 THR 75 -8.783 5.995 2.023 608 HA PRO 76 HA PRO 76 -12.752 2.089 5.407 609 HB2 PRO 76 HB2 PRO 76 -13.030 4.654 6.877 610 HB3 PRO 76 HB1 PRO 76 -12.634 3.042 7.482 611 HG2 PRO 76 HG2 PRO 76 -10.749 4.898 7.274 612 HG3 PRO 76 HG1 PRO 76 -10.407 3.209 6.849 613 HD2 PRO 76 HD2 PRO 76 -10.941 5.544 5.058 614 HD3 PRO 76 HD1 PRO 76 -9.762 4.230 4.878 615 H GLN 77 HN GLN 77 -13.571 4.863 3.572 616 HA GLN 77 HA GLN 77 -16.341 4.864 4.417 617 HB2 GLN 77 HB2 GLN 77 -16.456 6.872 3.450 618 HB3 GLN 77 HB1 GLN 77 -14.734 6.723 3.142 619 HG2 GLN 77 HG2 GLN 77 -16.431 5.465 1.125 620 HG3 GLN 77 HG1 GLN 77 -16.595 7.220 1.240 621 HE21 GLN 77 HE21 GLN 77 -13.799 5.390 2.005 622 HE22 GLN 77 HE22 GLN 77 -12.822 5.905 0.681 623 H GLN 78 HN GLN 78 -14.483 3.412 1.832 624 HA GLN 78 HA GLN 78 -16.920 2.237 0.696 625 HB2 GLN 78 HB2 GLN 78 -14.083 1.989 -0.271 626 HB3 GLN 78 HB1 GLN 78 -15.523 1.472 -1.133 627 HG2 GLN 78 HG2 GLN 78 -15.694 3.458 -2.103 628 HG3 GLN 78 HG1 GLN 78 -15.683 4.269 -0.528 629 HE21 GLN 78 HE21 GLN 78 -13.208 3.339 0.323 630 HE22 GLN 78 HE22 GLN 78 -11.996 4.183 -0.576 631 H TRP 79 HN TRP 79 -13.853 1.555 2.186 632 HA TRP 79 HA TRP 79 -13.968 -1.216 2.449 633 HB2 TRP 79 HB2 TRP 79 -12.506 0.979 3.555 634 HB3 TRP 79 HB1 TRP 79 -13.059 -0.030 4.890 635 HD1 TRP 79 HD1 TRP 79 -11.724 -1.028 1.410 636 HE1 TRP 79 HE1 TRP 79 -9.804 -2.673 1.753 637 HE3 TRP 79 HE3 TRP 79 -11.548 -1.018 6.509 638 HZ2 TRP 79 HZ2 TRP 79 -8.362 -3.832 3.911 639 HZ3 TRP 79 HZ3 TRP 79 -9.872 -2.418 7.640 640 HH2 TRP 79 HH2 TRP 79 -8.312 -3.794 6.361 641 H LYS 80 HN LYS 80 -15.431 1.435 4.063 642 HA LYS 80 HA LYS 80 -16.690 1.640 5.942 643 HB2 LYS 80 HB2 LYS 80 -18.999 0.629 5.395 644 HB3 LYS 80 HB1 LYS 80 -18.276 1.771 4.284 645 HG2 LYS 80 HG2 LYS 80 -19.223 0.099 2.957 646 HG3 LYS 80 HG1 LYS 80 -17.483 -0.195 2.941 647 HD2 LYS 80 HD2 LYS 80 -18.556 -2.311 3.175 648 HD3 LYS 80 HD1 LYS 80 -17.873 -1.909 4.750 649 HE2 LYS 80 HE2 LYS 80 -20.043 -1.209 5.551 650 HE3 LYS 80 HE1 LYS 80 -20.749 -1.465 3.959 651 HZ1 LYS 80 HZ1 LYS 80 -20.299 -3.817 4.161 652 HZ2 LYS 80 HZ2 LYS 80 -21.209 -3.296 5.486 653 HZ3 LYS 80 HZ3 LYS 80 -19.552 -3.587 5.664 654 HA PRO 81 HA PRO 81 -17.045 -1.522 9.204 655 HB2 PRO 81 HB2 PRO 81 -19.796 -2.345 8.325 656 HB3 PRO 81 HB1 PRO 81 -19.162 -2.132 9.963 657 HG2 PRO 81 HG2 PRO 81 -20.648 -0.229 8.920 658 HG3 PRO 81 HG1 PRO 81 -19.164 0.204 9.793 659 HD2 PRO 81 HD2 PRO 81 -19.691 0.138 6.865 660 HD3 PRO 81 HD1 PRO 81 -18.712 1.286 7.795 661 HA PRO 82 HA PRO 82 -15.191 -4.635 6.793 662 HB2 PRO 82 HB2 PRO 82 -15.050 -6.605 8.765 663 HB3 PRO 82 HB1 PRO 82 -13.865 -5.327 8.493 664 HG2 PRO 82 HG2 PRO 82 -16.091 -5.461 10.472 665 HG3 PRO 82 HG1 PRO 82 -14.463 -4.783 10.655 666 HD2 PRO 82 HD2 PRO 82 -16.592 -3.203 10.313 667 HD3 PRO 82 HD1 PRO 82 -15.030 -2.811 9.563 668 H SER 83 HN SER 83 -16.255 -5.667 5.273 669 HA SER 83 HA SER 83 -17.812 -8.009 5.899 670 HB2 SER 83 HB2 SER 83 -19.119 -5.803 4.284 671 HB3 SER 83 HB1 SER 83 -19.842 -7.335 4.768 672 HG SER 83 HG SER 83 -19.154 -6.315 7.005 673 H GLN 84 HN GLN 84 -15.352 -7.541 4.616 674 HA GLN 84 HA GLN 84 -15.997 -8.048 1.782 675 HB2 GLN 84 HB2 GLN 84 -13.903 -7.019 1.165 676 HB3 GLN 84 HB1 GLN 84 -14.801 -5.911 2.187 677 HG2 GLN 84 HG2 GLN 84 -13.444 -6.542 4.092 678 HG3 GLN 84 HG1 GLN 84 -12.530 -7.654 3.075 679 HE21 GLN 84 HE21 GLN 84 -11.685 -5.331 4.607 680 HE22 GLN 84 HE22 GLN 84 -10.943 -4.268 3.481 681 H ASP 85 HN ASP 85 -13.996 -8.907 4.520 682 HA ASP 85 HA ASP 85 -12.490 -10.894 3.110 683 HB2 ASP 85 HB2 ASP 85 -11.415 -9.866 4.990 684 HB3 ASP 85 HB1 ASP 85 -12.778 -10.239 6.041 685 H SER 86 HN SER 86 -15.283 -10.683 5.003 686 HA SER 86 HA SER 86 -15.887 -13.390 5.409 687 HB2 SER 86 HB2 SER 86 -18.223 -12.487 5.680 688 HB3 SER 86 HB1 SER 86 -17.005 -11.623 6.626 689 HG SER 86 HG SER 86 -18.625 -10.393 5.259 690 H ALA 87 HN ALA 87 -16.880 -11.070 2.935 691 HA ALA 87 HA ALA 87 -18.143 -13.088 1.327 692 HB1 ALA 87 HB1 ALA 87 -19.073 -10.821 1.487 693 HB2 ALA 87 HB2 ALA 87 -18.705 -11.273 -0.178 694 HB3 ALA 87 HB3 ALA 87 -17.627 -10.187 0.699 695 H THR 88 HN THR 88 -15.111 -12.916 1.856 696 HA THR 88 HA THR 88 -14.148 -12.992 -0.878 697 HB THR 88 HB THR 88 -12.685 -13.850 1.630 698 HG1 THR 88 HG1 THR 88 -13.449 -11.434 1.040 699 HG21 THR 88 HG21 THR 88 -11.716 -14.720 -0.450 700 HG22 THR 88 HG22 THR 88 -10.666 -13.504 0.280 701 HG23 THR 88 HG23 THR 88 -11.665 -13.086 -1.111 702 H LEU 89 HN LEU 89 -15.296 -15.030 1.604 703 HA LEU 89 HA LEU 89 -16.422 -16.999 1.423 704 HB2 LEU 89 HB2 LEU 89 -15.415 -16.838 -1.376 705 HB3 LEU 89 HB1 LEU 89 -15.849 -18.418 -0.757 706 HG LEU 89 HG LEU 89 -18.127 -17.653 -0.324 707 HD11 LEU 89 HD11 LEU 89 -18.886 -15.456 -1.046 708 HD12 LEU 89 HD12 LEU 89 -17.236 -15.021 -1.489 709 HD13 LEU 89 HD13 LEU 89 -17.646 -15.315 0.200 710 HD21 LEU 89 HD21 LEU 89 -18.848 -17.350 -2.631 711 HD22 LEU 89 HD22 LEU 89 -17.590 -18.581 -2.518 712 HD23 LEU 89 HD23 LEU 89 -17.193 -16.967 -3.107 713 H THR 90 HN THR 90 -13.755 -16.191 2.193 714 HA THR 90 HA THR 90 -12.216 -18.662 2.117 715 HB THR 90 HB THR 90 -10.740 -17.362 3.790 716 HG1 THR 90 HG1 THR 90 -11.337 -14.943 3.061 717 HG21 THR 90 HG21 THR 90 -11.152 -16.303 0.992 718 HG22 THR 90 HG22 THR 90 -10.149 -17.680 1.444 719 HG23 THR 90 HG23 THR 90 -9.713 -16.060 1.981 720 H LYS 91 HN LYS 91 -14.813 -17.597 3.755 721 HA LYS 91 HA LYS 91 -14.721 -19.790 5.592 722 HB2 LYS 91 HB2 LYS 91 -15.287 -18.447 7.599 723 HB3 LYS 91 HB1 LYS 91 -13.655 -18.151 7.032 724 HG2 LYS 91 HG2 LYS 91 -15.907 -16.340 6.244 725 HG3 LYS 91 HG1 LYS 91 -15.100 -16.164 7.801 726 HD2 LYS 91 HD2 LYS 91 -13.732 -16.087 5.110 727 HD3 LYS 91 HD1 LYS 91 -14.165 -14.674 6.072 728 HE2 LYS 91 HE2 LYS 91 -12.704 -15.439 7.869 729 HE3 LYS 91 HE1 LYS 91 -12.287 -16.872 6.935 730 HZ1 LYS 91 HZ1 LYS 91 -11.642 -14.051 6.279 731 HZ2 LYS 91 HZ2 LYS 91 -11.406 -15.342 5.207 732 HZ3 LYS 91 HZ3 LYS 91 -10.555 -15.294 6.669 733 H ASP 92 HN ASP 92 -16.063 -18.752 3.268 734 HA ASP 92 HA ASP 92 -18.103 -18.763 2.305 735 HB2 ASP 92 HB2 ASP 92 -18.676 -20.558 3.975 736 HB3 ASP 92 HB1 ASP 92 -19.316 -19.293 5.023 737 H ALA 93 HN ALA 93 -18.550 -17.321 5.530 738 HA ALA 93 HA ALA 93 -18.783 -14.685 4.414 739 HB1 ALA 93 HB1 ALA 93 -21.061 -14.233 5.125 740 HB2 ALA 93 HB2 ALA 93 -21.242 -15.897 5.676 741 HB3 ALA 93 HB3 ALA 93 -21.039 -15.555 3.959 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 20.110 -6.198 -2.559 2 H2 MET 1 HT2 MET 1 20.008 -4.589 -2.054 3 H3 MET 1 HT3 MET 1 18.598 -5.472 -2.341 4 HA MET 1 HA MET 1 19.120 -6.953 -0.518 5 HB2 MET 1 HB2 MET 1 21.547 -6.754 -0.583 6 HB3 MET 1 HB1 MET 1 21.448 -5.059 -0.133 7 HG2 MET 1 HG2 MET 1 20.470 -5.718 2.028 8 HG3 MET 1 HG1 MET 1 20.663 -7.409 1.573 9 HE1 MET 1 HE1 MET 1 24.536 -7.821 1.436 10 HE2 MET 1 HE2 MET 1 23.464 -7.444 0.087 11 HE3 MET 1 HE3 MET 1 22.971 -8.624 1.302 12 H VAL 2 HN VAL 2 17.158 -6.265 0.177 13 HA VAL 2 HA VAL 2 17.181 -4.007 2.023 14 HB VAL 2 HB VAL 2 16.384 -3.108 -0.150 15 HG11 VAL 2 HG11 VAL 2 14.237 -3.814 -1.053 16 HG12 VAL 2 HG12 VAL 2 14.114 -5.058 0.187 17 HG13 VAL 2 HG13 VAL 2 15.382 -5.151 -1.032 18 HG21 VAL 2 HG21 VAL 2 14.268 -3.248 1.993 19 HG22 VAL 2 HG22 VAL 2 14.343 -2.054 0.696 20 HG23 VAL 2 HG23 VAL 2 15.607 -2.104 1.924 21 H THR 3 HN THR 3 15.663 -4.215 3.695 22 HA THR 3 HA THR 3 14.421 -6.871 3.850 23 HB THR 3 HB THR 3 15.947 -6.465 5.676 24 HG1 THR 3 HG1 THR 3 14.576 -7.284 7.069 25 HG21 THR 3 HG21 THR 3 15.580 -4.637 7.291 26 HG22 THR 3 HG22 THR 3 14.322 -3.984 6.242 27 HG23 THR 3 HG23 THR 3 15.993 -4.038 5.686 28 H LYS 4 HN LYS 4 12.286 -7.106 4.507 29 HA LYS 4 HA LYS 4 10.500 -5.016 3.716 30 HB2 LYS 4 HB2 LYS 4 10.003 -7.477 3.457 31 HB3 LYS 4 HB1 LYS 4 9.811 -7.559 5.203 32 HG2 LYS 4 HG2 LYS 4 8.085 -5.675 4.885 33 HG3 LYS 4 HG1 LYS 4 8.104 -6.152 3.190 34 HD2 LYS 4 HD2 LYS 4 6.301 -7.302 4.252 35 HD3 LYS 4 HD1 LYS 4 7.572 -8.483 3.928 36 HE2 LYS 4 HE2 LYS 4 8.264 -8.488 6.204 37 HE3 LYS 4 HE1 LYS 4 7.262 -7.086 6.576 38 HZ1 LYS 4 HZ1 LYS 4 5.298 -8.421 6.188 39 HZ2 LYS 4 HZ2 LYS 4 6.268 -9.141 7.369 40 HZ3 LYS 4 HZ3 LYS 4 6.246 -9.764 5.796 41 H GLU 5 HN GLU 5 12.261 -5.650 6.430 42 HA GLU 5 HA GLU 5 10.318 -5.060 8.440 43 HB2 GLU 5 HB2 GLU 5 13.314 -5.328 8.472 44 HB3 GLU 5 HB1 GLU 5 12.377 -4.974 9.923 45 HG2 GLU 5 HG2 GLU 5 11.220 -7.074 9.740 46 HG3 GLU 5 HG1 GLU 5 11.985 -7.402 8.186 47 H GLN 6 HN GLN 6 12.651 -3.324 6.598 48 HA GLN 6 HA GLN 6 12.199 -0.864 8.047 49 HB2 GLN 6 HB2 GLN 6 13.618 0.175 6.350 50 HB3 GLN 6 HB1 GLN 6 14.398 -1.238 7.038 51 HG2 GLN 6 HG2 GLN 6 14.829 -1.783 4.927 52 HG3 GLN 6 HG1 GLN 6 13.139 -2.292 4.861 53 HE21 GLN 6 HE21 GLN 6 11.620 -0.901 3.856 54 HE22 GLN 6 HE22 GLN 6 12.120 0.354 2.774 55 H VAL 7 HN VAL 7 10.883 -2.624 5.416 56 HA VAL 7 HA VAL 7 9.629 -0.466 4.005 57 HB VAL 7 HB VAL 7 9.117 -3.450 4.087 58 HG11 VAL 7 HG11 VAL 7 7.013 -2.383 3.589 59 HG12 VAL 7 HG12 VAL 7 7.661 -3.147 2.137 60 HG13 VAL 7 HG13 VAL 7 7.777 -1.399 2.341 61 HG21 VAL 7 HG21 VAL 7 10.309 -1.677 1.959 62 HG22 VAL 7 HG22 VAL 7 10.054 -3.417 1.827 63 HG23 VAL 7 HG23 VAL 7 11.195 -2.781 3.011 64 H GLU 8 HN GLU 8 8.991 -2.485 6.636 65 HA GLU 8 HA GLU 8 6.230 -2.120 7.012 66 HB2 GLU 8 HB2 GLU 8 8.583 -3.159 8.478 67 HB3 GLU 8 HB1 GLU 8 7.144 -2.788 9.435 68 HG2 GLU 8 HG2 GLU 8 7.305 -4.682 7.092 69 HG3 GLU 8 HG1 GLU 8 7.224 -5.141 8.791 70 H ALA 9 HN ALA 9 9.112 -0.643 8.456 71 HA ALA 9 HA ALA 9 7.552 0.992 10.232 72 HB1 ALA 9 HB1 ALA 9 10.509 1.065 9.630 73 HB2 ALA 9 HB2 ALA 9 9.747 0.121 10.907 74 HB3 ALA 9 HB3 ALA 9 9.696 1.881 10.966 75 H SER 10 HN SER 10 8.999 1.200 7.119 76 HA SER 10 HA SER 10 9.080 4.088 7.036 77 HB2 SER 10 HB2 SER 10 9.277 2.030 4.831 78 HB3 SER 10 HB1 SER 10 9.456 3.765 4.572 79 HG SER 10 HG SER 10 11.480 2.796 4.872 80 H LEU 11 HN LEU 11 6.939 1.634 5.654 81 HA LEU 11 HA LEU 11 5.177 3.497 4.443 82 HB2 LEU 11 HB2 LEU 11 5.126 0.577 5.038 83 HB3 LEU 11 HB1 LEU 11 3.629 1.366 4.592 84 HG LEU 11 HG LEU 11 4.794 0.235 2.703 85 HD11 LEU 11 HD11 LEU 11 3.204 2.021 2.306 86 HD12 LEU 11 HD12 LEU 11 4.508 2.062 1.121 87 HD13 LEU 11 HD13 LEU 11 4.490 3.219 2.453 88 HD21 LEU 11 HD21 LEU 11 6.842 2.419 3.072 89 HD22 LEU 11 HD22 LEU 11 6.759 1.300 1.710 90 HD23 LEU 11 HD23 LEU 11 7.105 0.694 3.331 91 H THR 12 HN THR 12 5.179 1.836 7.561 92 HA THR 12 HA THR 12 2.606 2.659 8.378 93 HB THR 12 HB THR 12 5.010 1.940 10.073 94 HG1 THR 12 HG1 THR 12 4.592 0.082 9.106 95 HG21 THR 12 HG21 THR 12 3.325 3.087 11.404 96 HG22 THR 12 HG22 THR 12 3.346 1.369 11.799 97 HG23 THR 12 HG23 THR 12 2.073 2.019 10.769 98 H SER 13 HN SER 13 5.519 4.401 8.058 99 HA SER 13 HA SER 13 4.801 6.392 10.061 100 HB2 SER 13 HB2 SER 13 7.185 6.195 8.220 101 HB3 SER 13 HB1 SER 13 6.962 7.444 9.447 102 HG SER 13 HG SER 13 7.605 4.743 9.729 103 H LYS 14 HN LYS 14 5.190 6.105 6.566 104 HA LYS 14 HA LYS 14 4.504 8.899 6.181 105 HB2 LYS 14 HB2 LYS 14 5.227 6.713 4.222 106 HB3 LYS 14 HB1 LYS 14 4.907 8.382 3.771 107 HG2 LYS 14 HG2 LYS 14 6.801 9.129 5.099 108 HG3 LYS 14 HG1 LYS 14 7.108 7.474 5.620 109 HD2 LYS 14 HD2 LYS 14 7.139 8.341 2.732 110 HD3 LYS 14 HD1 LYS 14 8.577 8.314 3.753 111 HE2 LYS 14 HE2 LYS 14 8.241 5.907 4.132 112 HE3 LYS 14 HE1 LYS 14 6.827 5.948 3.081 113 HZ1 LYS 14 HZ1 LYS 14 8.965 5.172 2.031 114 HZ2 LYS 14 HZ2 LYS 14 9.518 6.770 2.150 115 HZ3 LYS 14 HZ3 LYS 14 8.156 6.419 1.212 116 H LEU 15 HN LEU 15 3.019 5.794 6.060 117 HA LEU 15 HA LEU 15 0.666 6.936 4.694 118 HB2 LEU 15 HB2 LEU 15 2.090 4.404 4.433 119 HB3 LEU 15 HB1 LEU 15 0.354 4.206 4.606 120 HG LEU 15 HG LEU 15 -0.097 5.448 2.631 121 HD11 LEU 15 HD11 LEU 15 2.811 6.237 2.694 122 HD12 LEU 15 HD12 LEU 15 1.401 7.292 2.843 123 HD13 LEU 15 HD13 LEU 15 1.750 6.495 1.310 124 HD21 LEU 15 HD21 LEU 15 1.064 4.183 0.934 125 HD22 LEU 15 HD22 LEU 15 0.701 3.137 2.308 126 HD23 LEU 15 HD23 LEU 15 2.334 3.760 2.080 127 H LYS 16 HN LYS 16 1.881 5.769 7.556 128 HA LYS 16 HA LYS 16 1.014 5.795 9.627 129 HB2 LYS 16 HB2 LYS 16 -1.620 6.461 8.299 130 HB3 LYS 16 HB1 LYS 16 -1.310 6.524 10.029 131 HG2 LYS 16 HG2 LYS 16 0.389 8.248 9.654 132 HG3 LYS 16 HG1 LYS 16 0.046 8.198 7.927 133 HD2 LYS 16 HD2 LYS 16 -2.250 8.912 8.356 134 HD3 LYS 16 HD1 LYS 16 -1.919 8.946 10.090 135 HE2 LYS 16 HE2 LYS 16 -0.189 10.650 9.709 136 HE3 LYS 16 HE1 LYS 16 -0.563 10.631 7.988 137 HZ1 LYS 16 HZ1 LYS 16 -1.666 12.466 9.030 138 HZ2 LYS 16 HZ2 LYS 16 -2.383 11.456 10.179 139 HZ3 LYS 16 HZ3 LYS 16 -2.839 11.338 8.553 140 HA PRO 17 HA PRO 17 -0.247 1.632 10.132 141 HB2 PRO 17 HB2 PRO 17 -0.927 1.594 12.738 142 HB3 PRO 17 HB1 PRO 17 0.742 1.808 12.204 143 HG2 PRO 17 HG2 PRO 17 -1.232 3.857 13.123 144 HG3 PRO 17 HG1 PRO 17 0.494 3.715 13.504 145 HD2 PRO 17 HD2 PRO 17 -0.497 5.434 11.632 146 HD3 PRO 17 HD1 PRO 17 1.134 4.742 11.558 147 H ILE 18 HN ILE 18 -2.274 2.763 8.774 148 HA ILE 18 HA ILE 18 -4.752 2.358 10.255 149 HB ILE 18 HB ILE 18 -4.509 2.796 7.287 150 HG12 ILE 18 HG12 ILE 18 -3.256 4.593 8.429 151 HG13 ILE 18 HG11 ILE 18 -4.720 5.207 7.672 152 HG21 ILE 18 HG21 ILE 18 -6.752 3.752 7.533 153 HG22 ILE 18 HG22 ILE 18 -6.698 3.431 9.265 154 HG23 ILE 18 HG23 ILE 18 -6.690 2.090 8.120 155 HD11 ILE 18 HD11 ILE 18 -5.832 5.205 9.852 156 HD12 ILE 18 HD12 ILE 18 -4.387 6.216 9.839 157 HD13 ILE 18 HD13 ILE 18 -4.344 4.625 10.600 158 H HIS 19 HN HIS 19 -4.034 1.255 6.978 159 HA HIS 19 HA HIS 19 -4.053 -1.529 7.864 160 HB2 HIS 19 HB2 HIS 19 -6.342 -1.065 7.028 161 HB3 HIS 19 HB1 HIS 19 -5.652 -0.514 5.508 162 HD1 HIS 19 HD1 HIS 19 -6.289 -3.638 7.483 163 HD2 HIS 19 HD2 HIS 19 -4.903 -2.520 3.721 164 HE1 HIS 19 HE1 HIS 19 -6.282 -5.738 6.105 165 HE2 HIS 19 HE2 HIS 19 -5.408 -5.058 3.840 166 H LEU 20 HN LEU 20 -1.986 -1.866 7.467 167 HA LEU 20 HA LEU 20 -1.001 -1.396 4.728 168 HB2 LEU 20 HB2 LEU 20 0.002 0.105 6.471 169 HB3 LEU 20 HB1 LEU 20 0.588 -1.327 7.294 170 HG LEU 20 HG LEU 20 1.772 -1.852 5.055 171 HD11 LEU 20 HD11 LEU 20 2.358 0.090 3.746 172 HD12 LEU 20 HD12 LEU 20 1.385 1.124 4.792 173 HD13 LEU 20 HD13 LEU 20 0.606 -0.098 3.788 174 HD21 LEU 20 HD21 LEU 20 2.703 0.419 6.804 175 HD22 LEU 20 HD22 LEU 20 3.715 -0.610 5.791 176 HD23 LEU 20 HD23 LEU 20 2.871 -1.297 7.177 177 H GLU 21 HN GLU 21 -0.422 -3.214 3.753 178 HA GLU 21 HA GLU 21 0.655 -5.457 5.273 179 HB2 GLU 21 HB2 GLU 21 -1.645 -5.741 3.320 180 HB3 GLU 21 HB1 GLU 21 -0.786 -7.068 4.076 181 HG2 GLU 21 HG2 GLU 21 -2.408 -5.004 5.545 182 HG3 GLU 21 HG1 GLU 21 -2.978 -6.609 5.094 183 H VAL 22 HN VAL 22 2.650 -5.155 4.289 184 HA VAL 22 HA VAL 22 2.704 -5.416 1.365 185 HB VAL 22 HB VAL 22 5.297 -5.077 2.605 186 HG11 VAL 22 HG11 VAL 22 3.796 -3.480 0.578 187 HG12 VAL 22 HG12 VAL 22 4.946 -4.777 0.265 188 HG13 VAL 22 HG13 VAL 22 5.496 -3.265 0.990 189 HG21 VAL 22 HG21 VAL 22 4.283 -3.828 4.334 190 HG22 VAL 22 HG22 VAL 22 3.174 -3.044 3.211 191 HG23 VAL 22 HG23 VAL 22 4.893 -2.637 3.183 192 H ILE 23 HN ILE 23 3.450 -7.224 0.424 193 HA ILE 23 HA ILE 23 4.198 -9.427 2.185 194 HB ILE 23 HB ILE 23 2.886 -9.586 -0.523 195 HG12 ILE 23 HG12 ILE 23 1.031 -10.668 1.010 196 HG13 ILE 23 HG11 ILE 23 1.787 -9.688 2.258 197 HG21 ILE 23 HG21 ILE 23 3.542 -11.747 1.465 198 HG22 ILE 23 HG22 ILE 23 4.314 -11.490 -0.099 199 HG23 ILE 23 HG23 ILE 23 2.621 -11.976 -0.021 200 HD11 ILE 23 HD11 ILE 23 -0.130 -8.565 1.286 201 HD12 ILE 23 HD12 ILE 23 0.611 -8.658 -0.312 202 HD13 ILE 23 HD13 ILE 23 1.358 -7.680 0.951 203 H ASP 24 HN ASP 24 6.266 -9.345 2.135 204 HA ASP 24 HA ASP 24 7.973 -8.915 -0.053 205 HB2 ASP 24 HB2 ASP 24 8.811 -8.673 2.203 206 HB3 ASP 24 HB1 ASP 24 8.478 -10.367 2.547 207 H ILE 25 HN ILE 25 8.323 -10.119 -1.723 208 HA ILE 25 HA ILE 25 8.080 -13.051 -1.511 209 HB ILE 25 HB ILE 25 7.939 -11.395 -4.037 210 HG12 ILE 25 HG12 ILE 25 5.541 -12.559 -2.646 211 HG13 ILE 25 HG11 ILE 25 6.123 -10.945 -2.247 212 HG21 ILE 25 HG21 ILE 25 8.497 -13.731 -4.388 213 HG22 ILE 25 HG22 ILE 25 6.863 -13.402 -4.964 214 HG23 ILE 25 HG23 ILE 25 7.105 -14.229 -3.426 215 HD11 ILE 25 HD11 ILE 25 5.261 -11.881 -4.969 216 HD12 ILE 25 HD12 ILE 25 5.836 -10.265 -4.557 217 HD13 ILE 25 HD13 ILE 25 4.326 -10.865 -3.870 218 H SER 26 HN SER 26 10.286 -10.609 -1.542 219 HA SER 26 HA SER 26 12.581 -11.893 -2.269 220 HB2 SER 26 HB2 SER 26 12.916 -10.837 -4.554 221 HB3 SER 26 HB1 SER 26 11.758 -12.165 -4.514 222 HG SER 26 HG SER 26 10.400 -9.991 -3.988 223 H GLY 27 HN GLY 27 14.011 -10.590 -1.280 224 HA2 GLY 27 HA2 GLY 27 13.450 -7.692 -1.329 225 HA3 GLY 27 HA1 GLY 27 14.067 -8.520 0.092 226 H GLY 28 HN GLY 28 15.419 -9.692 -2.825 227 HA2 GLY 28 HA2 GLY 28 17.776 -8.025 -2.222 228 HA3 GLY 28 HA1 GLY 28 17.865 -9.729 -2.592 229 H CYS 29 HN CYS 29 16.965 -10.307 -4.801 230 HA CYS 29 HA CYS 29 18.023 -8.365 -6.745 231 HB2 CYS 29 HB2 CYS 29 17.651 -11.358 -7.034 232 HB3 CYS 29 HB1 CYS 29 18.360 -10.289 -8.240 233 HG CYS 29 HG CYS 29 20.503 -9.561 -6.474 234 H GLY 30 HN GLY 30 15.436 -10.516 -5.973 235 HA2 GLY 30 HA2 GLY 30 13.849 -9.893 -8.304 236 HA3 GLY 30 HA1 GLY 30 13.397 -10.946 -6.963 237 H SER 31 HN SER 31 14.574 -8.504 -5.419 238 HA SER 31 HA SER 31 12.650 -8.037 -3.763 239 HB2 SER 31 HB2 SER 31 14.734 -6.904 -3.538 240 HB3 SER 31 HB1 SER 31 14.445 -5.943 -4.985 241 HG SER 31 HG SER 31 13.812 -5.362 -2.478 242 H SER 32 HN SER 32 10.653 -7.904 -4.020 243 HA SER 32 HA SER 32 9.424 -5.641 -5.318 244 HB2 SER 32 HB2 SER 32 7.770 -7.291 -6.463 245 HB3 SER 32 HB1 SER 32 9.334 -7.009 -7.226 246 HG SER 32 HG SER 32 10.070 -8.932 -6.150 247 H PHE 33 HN PHE 33 8.223 -4.889 -3.738 248 HA PHE 33 HA PHE 33 6.962 -6.822 -1.918 249 HB2 PHE 33 HB2 PHE 33 7.648 -3.918 -1.449 250 HB3 PHE 33 HB1 PHE 33 6.910 -4.999 -0.273 251 HD1 PHE 33 HD1 PHE 33 8.165 -6.839 0.661 252 HD2 PHE 33 HD2 PHE 33 9.980 -4.011 -1.932 253 HE1 PHE 33 HE1 PHE 33 10.382 -7.612 1.374 254 HE2 PHE 33 HE2 PHE 33 12.205 -4.776 -1.229 255 HZ PHE 33 HZ PHE 33 12.409 -6.589 0.421 256 H GLU 34 HN GLU 34 4.804 -6.801 -1.657 257 HA GLU 34 HA GLU 34 3.343 -4.871 -3.337 258 HB2 GLU 34 HB2 GLU 34 2.389 -7.607 -2.486 259 HB3 GLU 34 HB1 GLU 34 1.641 -6.534 -3.660 260 HG2 GLU 34 HG2 GLU 34 3.644 -6.783 -5.095 261 HG3 GLU 34 HG1 GLU 34 4.276 -7.959 -3.945 262 H VAL 35 HN VAL 35 2.688 -3.312 -2.037 263 HA VAL 35 HA VAL 35 1.759 -3.813 0.642 264 HB VAL 35 HB VAL 35 3.150 -1.832 -0.031 265 HG11 VAL 35 HG11 VAL 35 0.562 -0.825 -1.180 266 HG12 VAL 35 HG12 VAL 35 2.008 -1.242 -2.100 267 HG13 VAL 35 HG13 VAL 35 2.038 0.115 -0.972 268 HG21 VAL 35 HG21 VAL 35 2.041 -1.910 2.100 269 HG22 VAL 35 HG22 VAL 35 0.550 -1.316 1.376 270 HG23 VAL 35 HG23 VAL 35 1.970 -0.274 1.449 271 H GLU 36 HN GLU 36 -0.258 -3.744 1.400 272 HA GLU 36 HA GLU 36 -2.453 -2.893 -0.370 273 HB2 GLU 36 HB2 GLU 36 -2.580 -5.275 0.285 274 HB3 GLU 36 HB1 GLU 36 -2.516 -4.806 1.974 275 HG2 GLU 36 HG2 GLU 36 -4.647 -3.685 1.781 276 HG3 GLU 36 HG1 GLU 36 -4.706 -4.056 0.063 277 H VAL 37 HN VAL 37 -3.002 -0.876 0.156 278 HA VAL 37 HA VAL 37 -2.645 -0.003 2.942 279 HB VAL 37 HB VAL 37 -2.594 1.757 0.487 280 HG11 VAL 37 HG11 VAL 37 -3.242 2.927 2.499 281 HG12 VAL 37 HG12 VAL 37 -1.618 3.415 2.010 282 HG13 VAL 37 HG13 VAL 37 -1.835 2.291 3.353 283 HG21 VAL 37 HG21 VAL 37 -0.699 0.222 0.447 284 HG22 VAL 37 HG22 VAL 37 -0.270 0.699 2.089 285 HG23 VAL 37 HG23 VAL 37 -0.175 1.871 0.777 286 H VAL 38 HN VAL 38 -4.286 0.829 3.995 287 HA VAL 38 HA VAL 38 -6.432 2.141 2.471 288 HB VAL 38 HB VAL 38 -6.724 0.839 5.192 289 HG11 VAL 38 HG11 VAL 38 -9.101 1.348 4.960 290 HG12 VAL 38 HG12 VAL 38 -8.768 2.188 3.446 291 HG13 VAL 38 HG13 VAL 38 -8.114 2.810 4.961 292 HG21 VAL 38 HG21 VAL 38 -6.559 -0.831 3.425 293 HG22 VAL 38 HG22 VAL 38 -7.830 -0.009 2.520 294 HG23 VAL 38 HG23 VAL 38 -8.198 -0.762 4.072 295 H SER 39 HN SER 39 -5.712 4.226 2.557 296 HA SER 39 HA SER 39 -5.156 5.334 5.199 297 HB2 SER 39 HB2 SER 39 -2.985 4.572 4.218 298 HB3 SER 39 HB1 SER 39 -3.254 5.684 2.875 299 HG SER 39 HG SER 39 -2.309 6.179 5.369 300 H GLU 40 HN GLU 40 -4.912 7.689 5.119 301 HA GLU 40 HA GLU 40 -7.267 8.764 3.975 302 HB2 GLU 40 HB2 GLU 40 -6.619 10.821 5.093 303 HB3 GLU 40 HB1 GLU 40 -6.375 9.437 6.148 304 HG2 GLU 40 HG2 GLU 40 -4.006 9.470 5.736 305 HG3 GLU 40 HG1 GLU 40 -4.201 10.771 4.561 306 H GLN 41 HN GLN 41 -4.611 8.077 2.361 307 HA GLN 41 HA GLN 41 -4.350 10.587 0.883 308 HB2 GLN 41 HB2 GLN 41 -2.814 8.034 0.979 309 HB3 GLN 41 HB1 GLN 41 -2.786 8.936 -0.527 310 HG2 GLN 41 HG2 GLN 41 -0.875 9.539 0.763 311 HG3 GLN 41 HG1 GLN 41 -1.975 10.911 0.710 312 HE21 GLN 41 HE21 GLN 41 -2.372 8.098 2.773 313 HE22 GLN 41 HE22 GLN 41 -2.104 8.925 4.258 314 H PHE 42 HN PHE 42 -6.357 8.147 1.042 315 HA PHE 42 HA PHE 42 -7.041 8.187 -1.821 316 HB2 PHE 42 HB2 PHE 42 -7.617 6.057 0.252 317 HB3 PHE 42 HB1 PHE 42 -7.970 5.948 -1.472 318 HD1 PHE 42 HD2 PHE 42 -5.305 7.156 -2.405 319 HD2 PHE 42 HD1 PHE 42 -6.253 4.128 0.447 320 HE1 PHE 42 HE2 PHE 42 -3.125 6.098 -2.786 321 HE2 PHE 42 HE1 PHE 42 -4.066 3.085 0.076 322 HZ PHE 42 HZ PHE 42 -2.496 4.070 -1.546 323 H GLU 43 HN GLU 43 -7.764 10.051 0.372 324 HA GLU 43 HA GLU 43 -10.357 9.110 1.370 325 HB2 GLU 43 HB2 GLU 43 -8.794 9.933 3.016 326 HB3 GLU 43 HB1 GLU 43 -8.625 11.455 2.155 327 HG2 GLU 43 HG2 GLU 43 -10.022 11.650 4.151 328 HG3 GLU 43 HG1 GLU 43 -10.897 12.052 2.677 329 H GLY 44 HN GLY 44 -12.075 9.527 0.196 330 HA2 GLY 44 HA2 GLY 44 -13.536 10.562 -1.235 331 HA3 GLY 44 HA1 GLY 44 -13.012 12.062 -0.477 332 H LYS 45 HN LYS 45 -10.894 9.898 -2.189 333 HA LYS 45 HA LYS 45 -10.189 12.112 -3.962 334 HB2 LYS 45 HB2 LYS 45 -8.672 9.610 -3.236 335 HB3 LYS 45 HB1 LYS 45 -8.065 10.921 -4.192 336 HG2 LYS 45 HG2 LYS 45 -8.871 11.189 -1.327 337 HG3 LYS 45 HG1 LYS 45 -7.213 11.013 -1.913 338 HD2 LYS 45 HD2 LYS 45 -7.481 13.079 -3.224 339 HD3 LYS 45 HD1 LYS 45 -9.113 13.260 -2.583 340 HE2 LYS 45 HE2 LYS 45 -8.241 13.474 -0.337 341 HE3 LYS 45 HE1 LYS 45 -6.602 13.193 -0.921 342 HZ1 LYS 45 HZ1 LYS 45 -6.779 15.220 -2.240 343 HZ2 LYS 45 HZ2 LYS 45 -6.998 15.541 -0.596 344 HZ3 LYS 45 HZ3 LYS 45 -8.333 15.495 -1.634 345 H ARG 46 HN ARG 46 -9.514 11.559 -6.126 346 HA ARG 46 HA ARG 46 -11.128 9.435 -7.285 347 HB2 ARG 46 HB2 ARG 46 -11.289 11.336 -8.577 348 HB3 ARG 46 HB1 ARG 46 -9.589 11.735 -8.446 349 HG2 ARG 46 HG2 ARG 46 -9.203 9.637 -9.838 350 HG3 ARG 46 HG1 ARG 46 -10.937 9.676 -10.158 351 HD2 ARG 46 HD2 ARG 46 -8.899 11.790 -10.827 352 HD3 ARG 46 HD1 ARG 46 -9.803 10.784 -11.954 353 HE ARG 46 HE ARG 46 -11.831 11.978 -11.123 354 HH11 ARG 46 HH11 ARG 46 -8.657 13.453 -10.863 355 HH12 ARG 46 HH12 ARG 46 -9.272 15.075 -10.913 356 HH21 ARG 46 HH21 ARG 46 -12.633 14.117 -11.187 357 HH22 ARG 46 HH22 ARG 46 -11.530 15.452 -11.105 358 H LEU 47 HN LEU 47 -10.325 7.724 -8.286 359 HA LEU 47 HA LEU 47 -8.314 6.359 -7.116 360 HB2 LEU 47 HB2 LEU 47 -8.510 4.692 -8.741 361 HB3 LEU 47 HB1 LEU 47 -10.044 5.500 -8.654 362 HG LEU 47 HG LEU 47 -9.700 4.911 -10.895 363 HD11 LEU 47 HD11 LEU 47 -9.174 7.847 -10.632 364 HD12 LEU 47 HD12 LEU 47 -10.744 7.052 -10.626 365 HD13 LEU 47 HD13 LEU 47 -9.747 7.025 -12.079 366 HD21 LEU 47 HD21 LEU 47 -7.034 6.288 -10.784 367 HD22 LEU 47 HD22 LEU 47 -7.787 5.620 -12.232 368 HD23 LEU 47 HD23 LEU 47 -7.324 4.554 -10.906 369 H LEU 48 HN LEU 48 -7.955 8.453 -9.805 370 HA LEU 48 HA LEU 48 -5.276 7.863 -10.510 371 HB2 LEU 48 HB2 LEU 48 -6.876 10.398 -10.858 372 HB3 LEU 48 HB1 LEU 48 -5.289 10.141 -11.554 373 HG LEU 48 HG LEU 48 -7.732 8.484 -12.188 374 HD11 LEU 48 HD11 LEU 48 -6.374 10.645 -13.794 375 HD12 LEU 48 HD12 LEU 48 -7.939 10.786 -12.993 376 HD13 LEU 48 HD13 LEU 48 -7.729 9.648 -14.323 377 HD21 LEU 48 HD21 LEU 48 -4.966 8.547 -13.386 378 HD22 LEU 48 HD22 LEU 48 -6.335 7.649 -14.037 379 HD23 LEU 48 HD23 LEU 48 -5.679 7.230 -12.456 380 H GLU 49 HN GLU 49 -6.594 10.570 -8.638 381 HA GLU 49 HA GLU 49 -4.077 11.560 -7.776 382 HB2 GLU 49 HB2 GLU 49 -6.319 12.122 -5.974 383 HB3 GLU 49 HB1 GLU 49 -5.269 13.236 -6.827 384 HG2 GLU 49 HG2 GLU 49 -7.641 11.832 -8.029 385 HG3 GLU 49 HG1 GLU 49 -7.645 13.477 -7.409 386 H ARG 50 HN ARG 50 -6.314 9.206 -6.697 387 HA ARG 50 HA ARG 50 -5.646 8.804 -4.048 388 HB2 ARG 50 HB2 ARG 50 -7.606 7.850 -5.003 389 HB3 ARG 50 HB1 ARG 50 -6.697 7.064 -6.282 390 HG2 ARG 50 HG2 ARG 50 -5.746 5.531 -4.614 391 HG3 ARG 50 HG1 ARG 50 -6.715 6.316 -3.366 392 HD2 ARG 50 HD2 ARG 50 -7.764 4.871 -5.794 393 HD3 ARG 50 HD1 ARG 50 -7.798 4.282 -4.134 394 HE ARG 50 HE ARG 50 -9.125 6.667 -4.039 395 HH11 ARG 50 HH11 ARG 50 -9.490 3.703 -5.858 396 HH12 ARG 50 HH12 ARG 50 -11.206 3.878 -6.044 397 HH21 ARG 50 HH21 ARG 50 -11.393 6.910 -4.295 398 HH22 ARG 50 HH22 ARG 50 -12.285 5.696 -5.160 399 H HIS 51 HN HIS 51 -4.453 7.137 -6.962 400 HA HIS 51 HA HIS 51 -2.413 5.752 -5.491 401 HB2 HIS 51 HB2 HIS 51 -2.867 6.105 -8.453 402 HB3 HIS 51 HB1 HIS 51 -1.532 5.168 -7.796 403 HD1 HIS 51 HD1 HIS 51 -4.988 4.882 -8.831 404 HD2 HIS 51 HD2 HIS 51 -2.469 2.864 -6.238 405 HE1 HIS 51 HE1 HIS 51 -6.082 2.670 -8.378 406 HE2 HIS 51 HE2 HIS 51 -4.424 1.389 -7.013 407 H ARG 52 HN ARG 52 -2.511 8.585 -7.547 408 HA ARG 52 HA ARG 52 0.251 8.957 -7.871 409 HB2 ARG 52 HB2 ARG 52 -1.614 10.024 -9.184 410 HB3 ARG 52 HB1 ARG 52 -1.880 11.096 -7.819 411 HG2 ARG 52 HG2 ARG 52 0.430 11.930 -8.073 412 HG3 ARG 52 HG1 ARG 52 0.604 10.915 -9.508 413 HD2 ARG 52 HD2 ARG 52 -1.373 13.155 -9.110 414 HD3 ARG 52 HD1 ARG 52 0.038 13.174 -10.165 415 HE ARG 52 HE ARG 52 -1.122 11.303 -11.388 416 HH11 ARG 52 HH11 ARG 52 -2.898 13.748 -9.621 417 HH12 ARG 52 HH12 ARG 52 -4.345 13.568 -10.561 418 HH21 ARG 52 HH21 ARG 52 -3.014 11.069 -12.645 419 HH22 ARG 52 HH22 ARG 52 -4.399 12.060 -12.302 420 H MET 53 HN MET 53 -1.724 9.374 -5.133 421 HA MET 53 HA MET 53 -0.056 11.532 -4.071 422 HB2 MET 53 HB2 MET 53 -2.681 11.255 -3.892 423 HB3 MET 53 HB1 MET 53 -2.267 10.256 -2.509 424 HG2 MET 53 HG2 MET 53 -1.529 13.151 -2.889 425 HG3 MET 53 HG1 MET 53 -2.789 12.525 -1.832 426 HE1 MET 53 HE1 MET 53 -0.282 13.700 0.850 427 HE2 MET 53 HE2 MET 53 -1.976 13.620 0.367 428 HE3 MET 53 HE3 MET 53 -0.818 14.510 -0.621 429 H VAL 54 HN VAL 54 -1.055 8.242 -3.318 430 HA VAL 54 HA VAL 54 0.500 7.999 -0.973 431 HB VAL 54 HB VAL 54 -1.377 6.489 -2.297 432 HG11 VAL 54 HG11 VAL 54 0.397 5.404 -3.613 433 HG12 VAL 54 HG12 VAL 54 -0.500 4.272 -2.592 434 HG13 VAL 54 HG13 VAL 54 1.107 4.814 -2.107 435 HG21 VAL 54 HG21 VAL 54 0.280 5.835 0.120 436 HG22 VAL 54 HG22 VAL 54 -1.217 5.012 -0.311 437 HG23 VAL 54 HG23 VAL 54 -1.237 6.730 0.086 438 H ASN 55 HN ASN 55 1.070 7.255 -4.378 439 HA ASN 55 HA ASN 55 3.547 5.995 -3.787 440 HB2 ASN 55 HB2 ASN 55 3.920 5.654 -6.017 441 HB3 ASN 55 HB1 ASN 55 2.161 5.581 -5.912 442 HD21 ASN 55 HD21 ASN 55 1.890 8.441 -5.631 443 HD22 ASN 55 HD22 ASN 55 2.305 9.164 -7.142 444 H ALA 56 HN ALA 56 2.545 9.205 -4.057 445 HA ALA 56 HA ALA 56 5.015 10.361 -4.788 446 HB1 ALA 56 HB1 ALA 56 2.917 11.483 -2.931 447 HB2 ALA 56 HB2 ALA 56 2.939 11.663 -4.685 448 HB3 ALA 56 HB3 ALA 56 4.210 12.396 -3.706 449 H ALA 57 HN ALA 57 3.713 9.134 -1.794 450 HA ALA 57 HA ALA 57 6.034 9.999 -0.240 451 HB1 ALA 57 HB1 ALA 57 3.495 8.581 0.571 452 HB2 ALA 57 HB2 ALA 57 3.829 10.305 0.748 453 HB3 ALA 57 HB3 ALA 57 4.756 9.126 1.679 454 H LEU 58 HN LEU 58 5.458 7.664 -2.308 455 HA LEU 58 HA LEU 58 6.875 5.567 -0.811 456 HB2 LEU 58 HB2 LEU 58 4.390 5.327 -1.066 457 HB3 LEU 58 HB1 LEU 58 4.630 5.237 -2.773 458 HG LEU 58 HG LEU 58 4.229 3.062 -1.472 459 HD11 LEU 58 HD11 LEU 58 5.648 1.802 -2.980 460 HD12 LEU 58 HD12 LEU 58 6.573 3.255 -3.350 461 HD13 LEU 58 HD13 LEU 58 4.876 3.145 -3.819 462 HD21 LEU 58 HD21 LEU 58 5.805 3.435 0.315 463 HD22 LEU 58 HD22 LEU 58 7.130 3.525 -0.839 464 HD23 LEU 58 HD23 LEU 58 6.268 2.006 -0.609 465 H GLU 59 HN GLU 59 6.931 7.666 -3.261 466 HA GLU 59 HA GLU 59 7.735 6.059 -5.494 467 HB2 GLU 59 HB2 GLU 59 6.684 8.301 -5.810 468 HB3 GLU 59 HB1 GLU 59 8.111 9.042 -5.070 469 HG2 GLU 59 HG2 GLU 59 9.480 8.023 -6.909 470 HG3 GLU 59 HG1 GLU 59 7.966 7.556 -7.680 471 H GLU 60 HN GLU 60 9.295 7.821 -2.956 472 HA GLU 60 HA GLU 60 11.936 7.603 -4.031 473 HB2 GLU 60 HB2 GLU 60 12.413 8.215 -1.486 474 HB3 GLU 60 HB1 GLU 60 11.839 9.404 -2.640 475 HG2 GLU 60 HG2 GLU 60 10.610 9.693 -0.626 476 HG3 GLU 60 HG1 GLU 60 9.519 9.011 -1.832 477 H GLU 61 HN GLU 61 9.819 5.828 -2.009 478 HA GLU 61 HA GLU 61 11.709 4.043 -0.870 479 HB2 GLU 61 HB2 GLU 61 9.240 4.596 -0.231 480 HB3 GLU 61 HB1 GLU 61 8.844 3.378 -1.433 481 HG2 GLU 61 HG2 GLU 61 8.832 2.314 0.690 482 HG3 GLU 61 HG1 GLU 61 10.262 1.759 -0.180 483 H MET 62 HN MET 62 9.605 4.067 -3.668 484 HA MET 62 HA MET 62 10.082 1.429 -4.541 485 HB2 MET 62 HB2 MET 62 8.186 2.914 -5.264 486 HB3 MET 62 HB1 MET 62 9.332 3.809 -6.249 487 HG2 MET 62 HG2 MET 62 8.927 0.858 -6.587 488 HG3 MET 62 HG1 MET 62 7.893 2.037 -7.387 489 HE1 MET 62 HE1 MET 62 10.208 0.664 -10.260 490 HE2 MET 62 HE2 MET 62 8.553 0.834 -9.681 491 HE3 MET 62 HE3 MET 62 9.666 -0.257 -8.858 492 H LYS 63 HN LYS 63 11.759 4.459 -5.048 493 HA LYS 63 HA LYS 63 13.407 3.432 -7.166 494 HB2 LYS 63 HB2 LYS 63 13.698 5.946 -5.516 495 HB3 LYS 63 HB1 LYS 63 14.638 5.559 -6.951 496 HG2 LYS 63 HG2 LYS 63 11.682 6.093 -6.790 497 HG3 LYS 63 HG1 LYS 63 12.916 7.085 -7.570 498 HD2 LYS 63 HD2 LYS 63 13.347 5.260 -9.164 499 HD3 LYS 63 HD1 LYS 63 12.075 4.307 -8.398 500 HE2 LYS 63 HE2 LYS 63 11.191 5.350 -10.377 501 HE3 LYS 63 HE1 LYS 63 10.458 6.092 -8.956 502 HZ1 LYS 63 HZ1 LYS 63 12.017 7.931 -9.172 503 HZ2 LYS 63 HZ2 LYS 63 11.091 7.755 -10.573 504 HZ3 LYS 63 HZ3 LYS 63 12.693 7.222 -10.547 505 H GLU 64 HN GLU 64 13.398 2.966 -3.850 506 HA GLU 64 HA GLU 64 16.324 2.749 -3.688 507 HB2 GLU 64 HB2 GLU 64 15.031 3.812 -1.815 508 HB3 GLU 64 HB1 GLU 64 14.265 2.256 -1.527 509 HG2 GLU 64 HG2 GLU 64 16.055 2.591 0.043 510 HG3 GLU 64 HG1 GLU 64 16.468 1.278 -1.060 511 H ILE 65 HN ILE 65 13.398 0.959 -3.684 512 HA ILE 65 HA ILE 65 14.759 -1.622 -3.534 513 HB ILE 65 HB ILE 65 12.372 -2.461 -3.520 514 HG12 ILE 65 HG12 ILE 65 11.897 0.515 -3.387 515 HG13 ILE 65 HG11 ILE 65 11.391 -0.563 -4.671 516 HG21 ILE 65 HG21 ILE 65 13.025 -0.449 -1.363 517 HG22 ILE 65 HG22 ILE 65 13.720 -2.063 -1.456 518 HG23 ILE 65 HG23 ILE 65 11.985 -1.866 -1.211 519 HD11 ILE 65 HD11 ILE 65 9.587 0.113 -3.182 520 HD12 ILE 65 HD12 ILE 65 10.432 -0.648 -1.840 521 HD13 ILE 65 HD13 ILE 65 9.835 -1.633 -3.177 522 H HIS 66 HN HIS 66 13.069 -3.141 -5.103 523 HA HIS 66 HA HIS 66 13.710 -2.096 -7.770 524 HB2 HIS 66 HB2 HIS 66 14.708 -4.276 -7.155 525 HB3 HIS 66 HB1 HIS 66 13.086 -4.945 -6.995 526 HD1 HIS 66 HD1 HIS 66 14.704 -2.848 -9.719 527 HD2 HIS 66 HD2 HIS 66 12.619 -6.391 -9.232 528 HE1 HIS 66 HE1 HIS 66 14.312 -3.734 -12.012 529 HE2 HIS 66 HE2 HIS 66 13.033 -5.870 -11.717 530 H ALA 67 HN ALA 67 11.018 -2.987 -5.758 531 HA ALA 67 HA ALA 67 9.153 -1.960 -7.631 532 HB1 ALA 67 HB1 ALA 67 9.080 -4.945 -7.219 533 HB2 ALA 67 HB2 ALA 67 9.568 -4.126 -8.702 534 HB3 ALA 67 HB3 ALA 67 7.908 -3.985 -8.122 535 H LEU 68 HN LEU 68 7.482 -1.206 -6.559 536 HA LEU 68 HA LEU 68 6.566 -2.557 -4.124 537 HB2 LEU 68 HB2 LEU 68 7.749 -0.141 -4.065 538 HB3 LEU 68 HB1 LEU 68 6.108 0.346 -4.428 539 HG LEU 68 HG LEU 68 6.647 0.436 -2.004 540 HD11 LEU 68 HD11 LEU 68 4.508 -1.545 -2.763 541 HD12 LEU 68 HD12 LEU 68 4.339 0.209 -2.770 542 HD13 LEU 68 HD13 LEU 68 4.602 -0.644 -1.250 543 HD21 LEU 68 HD21 LEU 68 6.695 -2.561 -2.193 544 HD22 LEU 68 HD22 LEU 68 6.849 -1.589 -0.731 545 HD23 LEU 68 HD23 LEU 68 8.115 -1.545 -1.957 546 H SER 69 HN SER 69 4.696 -3.445 -4.659 547 HA SER 69 HA SER 69 3.021 -2.153 -6.682 548 HB2 SER 69 HB2 SER 69 2.770 -4.936 -5.529 549 HB3 SER 69 HB1 SER 69 1.982 -4.305 -6.977 550 HG SER 69 HG SER 69 4.174 -5.589 -6.987 551 H ILE 70 HN ILE 70 1.650 -0.743 -5.779 552 HA ILE 70 HA ILE 70 0.310 -1.180 -3.295 553 HB ILE 70 HB ILE 70 0.761 1.089 -3.951 554 HG12 ILE 70 HG12 ILE 70 -1.512 2.114 -3.901 555 HG13 ILE 70 HG11 ILE 70 -2.203 0.514 -4.127 556 HG21 ILE 70 HG21 ILE 70 -0.256 2.144 -5.925 557 HG22 ILE 70 HG22 ILE 70 -0.850 0.563 -6.435 558 HG23 ILE 70 HG23 ILE 70 0.886 0.864 -6.336 559 HD11 ILE 70 HD11 ILE 70 -0.492 1.365 -1.810 560 HD12 ILE 70 HD12 ILE 70 -1.246 -0.215 -2.028 561 HD13 ILE 70 HD13 ILE 70 -2.249 1.217 -1.799 562 H LYS 71 HN LYS 71 -0.656 -3.105 -3.471 563 HA LYS 71 HA LYS 71 -2.048 -4.040 -5.726 564 HB2 LYS 71 HB2 LYS 71 -2.657 -4.914 -2.904 565 HB3 LYS 71 HB1 LYS 71 -2.735 -5.869 -4.375 566 HG2 LYS 71 HG2 LYS 71 -0.348 -5.942 -4.526 567 HG3 LYS 71 HG1 LYS 71 -0.197 -4.814 -3.175 568 HD2 LYS 71 HD2 LYS 71 0.217 -7.052 -2.371 569 HD3 LYS 71 HD1 LYS 71 -1.316 -6.478 -1.716 570 HE2 LYS 71 HE2 LYS 71 -1.538 -8.775 -2.429 571 HE3 LYS 71 HE1 LYS 71 -2.507 -7.734 -3.468 572 HZ1 LYS 71 HZ1 LYS 71 0.180 -8.824 -4.138 573 HZ2 LYS 71 HZ2 LYS 71 -0.769 -7.841 -5.138 574 HZ3 LYS 71 HZ3 LYS 71 -1.296 -9.393 -4.738 575 H LYS 72 HN LYS 72 -2.931 -2.179 -2.965 576 HA LYS 72 HA LYS 72 -5.636 -1.819 -3.980 577 HB2 LYS 72 HB2 LYS 72 -4.970 -3.326 -1.550 578 HB3 LYS 72 HB1 LYS 72 -6.223 -2.110 -1.355 579 HG2 LYS 72 HG2 LYS 72 -7.437 -3.996 -1.894 580 HG3 LYS 72 HG1 LYS 72 -7.257 -3.203 -3.461 581 HD2 LYS 72 HD2 LYS 72 -5.302 -4.666 -3.915 582 HD3 LYS 72 HD1 LYS 72 -5.626 -5.509 -2.400 583 HE2 LYS 72 HE2 LYS 72 -6.577 -6.781 -4.193 584 HE3 LYS 72 HE1 LYS 72 -7.891 -6.065 -3.261 585 HZ1 LYS 72 HZ1 LYS 72 -8.278 -5.861 -5.633 586 HZ2 LYS 72 HZ2 LYS 72 -6.824 -5.021 -5.829 587 HZ3 LYS 72 HZ3 LYS 72 -8.084 -4.335 -4.937 588 H ALA 73 HN ALA 73 -5.978 0.181 -4.047 589 HA ALA 73 HA ALA 73 -5.047 1.907 -1.852 590 HB1 ALA 73 HB1 ALA 73 -4.255 2.599 -4.073 591 HB2 ALA 73 HB2 ALA 73 -5.365 3.788 -3.395 592 HB3 ALA 73 HB3 ALA 73 -5.921 2.677 -4.645 593 H GLN 74 HN GLN 74 -6.673 1.622 -0.383 594 HA GLN 74 HA GLN 74 -9.362 2.441 -1.258 595 HB2 GLN 74 HB2 GLN 74 -8.734 0.097 0.540 596 HB3 GLN 74 HB1 GLN 74 -10.347 0.717 0.217 597 HG2 GLN 74 HG2 GLN 74 -10.006 0.202 -2.181 598 HG3 GLN 74 HG1 GLN 74 -8.462 -0.537 -1.764 599 HE21 GLN 74 HE21 GLN 74 -11.914 -0.812 -1.611 600 HE22 GLN 74 HE22 GLN 74 -11.966 -2.462 -1.101 601 H THR 75 HN THR 75 -10.610 3.492 0.235 602 HA THR 75 HA THR 75 -9.373 4.253 2.767 603 HB THR 75 HB THR 75 -11.420 6.040 2.293 604 HG1 THR 75 HG1 THR 75 -10.466 6.664 0.026 605 HG21 THR 75 HG21 THR 75 -9.477 6.897 3.215 606 HG22 THR 75 HG22 THR 75 -9.384 7.517 1.569 607 HG23 THR 75 HG23 THR 75 -8.444 6.103 2.032 608 HA PRO 76 HA PRO 76 -12.349 2.281 5.246 609 HB2 PRO 76 HB2 PRO 76 -13.010 4.294 7.021 610 HB3 PRO 76 HB1 PRO 76 -11.584 3.261 7.134 611 HG2 PRO 76 HG2 PRO 76 -11.843 6.015 6.002 612 HG3 PRO 76 HG1 PRO 76 -10.557 5.338 7.019 613 HD2 PRO 76 HD2 PRO 76 -10.204 5.618 4.403 614 HD3 PRO 76 HD1 PRO 76 -9.598 4.176 5.242 615 H GLN 77 HN GLN 77 -13.314 4.852 3.311 616 HA GLN 77 HA GLN 77 -16.061 4.878 4.266 617 HB2 GLN 77 HB2 GLN 77 -15.873 6.412 1.954 618 HB3 GLN 77 HB1 GLN 77 -15.952 7.020 3.604 619 HG2 GLN 77 HG2 GLN 77 -13.946 7.921 3.211 620 HG3 GLN 77 HG1 GLN 77 -13.314 6.268 3.157 621 HE21 GLN 77 HE21 GLN 77 -13.521 5.145 1.269 622 HE22 GLN 77 HE22 GLN 77 -13.196 5.940 -0.219 623 H GLN 78 HN GLN 78 -14.106 3.637 1.639 624 HA GLN 78 HA GLN 78 -16.521 2.354 0.497 625 HB2 GLN 78 HB2 GLN 78 -13.654 2.052 -0.382 626 HB3 GLN 78 HB1 GLN 78 -15.068 1.450 -1.230 627 HG2 GLN 78 HG2 GLN 78 -15.131 3.315 -2.403 628 HG3 GLN 78 HG1 GLN 78 -15.363 4.241 -0.915 629 HE21 GLN 78 HE21 GLN 78 -12.878 3.437 0.257 630 HE22 GLN 78 HE22 GLN 78 -11.655 4.344 -0.567 631 H TRP 79 HN TRP 79 -13.713 1.969 2.362 632 HA TRP 79 HA TRP 79 -13.803 -0.892 2.591 633 HB2 TRP 79 HB2 TRP 79 -11.979 1.188 3.116 634 HB3 TRP 79 HB1 TRP 79 -12.356 0.459 4.686 635 HD1 TRP 79 HD1 TRP 79 -11.445 -0.866 1.173 636 HE1 TRP 79 HE1 TRP 79 -9.794 -2.801 1.458 637 HE3 TRP 79 HE3 TRP 79 -11.249 -0.980 6.266 638 HZ2 TRP 79 HZ2 TRP 79 -8.553 -4.223 3.602 639 HZ3 TRP 79 HZ3 TRP 79 -9.822 -2.657 7.359 640 HH2 TRP 79 HH2 TRP 79 -8.509 -4.242 6.053 641 H LYS 80 HN LYS 80 -15.769 1.460 3.568 642 HA LYS 80 HA LYS 80 -16.175 1.120 6.279 643 HB2 LYS 80 HB2 LYS 80 -18.436 1.975 5.993 644 HB3 LYS 80 HB1 LYS 80 -17.265 2.885 5.052 645 HG2 LYS 80 HG2 LYS 80 -17.995 1.781 3.026 646 HG3 LYS 80 HG1 LYS 80 -19.130 0.795 3.953 647 HD2 LYS 80 HD2 LYS 80 -20.374 2.752 4.601 648 HD3 LYS 80 HD1 LYS 80 -19.182 3.808 3.844 649 HE2 LYS 80 HE2 LYS 80 -21.146 3.581 2.432 650 HE3 LYS 80 HE1 LYS 80 -19.735 2.864 1.658 651 HZ1 LYS 80 HZ1 LYS 80 -21.780 1.515 1.484 652 HZ2 LYS 80 HZ2 LYS 80 -21.768 1.314 3.162 653 HZ3 LYS 80 HZ3 LYS 80 -20.501 0.696 2.225 654 HA PRO 81 HA PRO 81 -18.953 -2.738 5.672 655 HB2 PRO 81 HB2 PRO 81 -18.063 -4.076 3.256 656 HB3 PRO 81 HB1 PRO 81 -19.697 -3.584 3.703 657 HG2 PRO 81 HG2 PRO 81 -18.283 -2.436 1.678 658 HG3 PRO 81 HG1 PRO 81 -19.532 -1.586 2.605 659 HD2 PRO 81 HD2 PRO 81 -16.556 -1.463 2.874 660 HD3 PRO 81 HD1 PRO 81 -17.749 -0.156 2.972 661 HA PRO 82 HA PRO 82 -15.548 -4.871 7.598 662 HB2 PRO 82 HB2 PRO 82 -17.466 -7.153 7.446 663 HB3 PRO 82 HB1 PRO 82 -16.544 -6.550 8.828 664 HG2 PRO 82 HG2 PRO 82 -19.139 -6.028 8.610 665 HG3 PRO 82 HG1 PRO 82 -18.013 -4.796 9.211 666 HD2 PRO 82 HD2 PRO 82 -19.335 -5.020 6.548 667 HD3 PRO 82 HD1 PRO 82 -18.921 -3.572 7.488 668 H SER 83 HN SER 83 -13.831 -5.578 6.490 669 HA SER 83 HA SER 83 -14.181 -7.615 4.428 670 HB2 SER 83 HB2 SER 83 -12.749 -4.994 3.911 671 HB3 SER 83 HB1 SER 83 -12.927 -6.327 2.771 672 HG SER 83 HG SER 83 -14.980 -4.670 3.835 673 H GLN 84 HN GLN 84 -13.167 -8.040 6.888 674 HA GLN 84 HA GLN 84 -10.300 -8.356 6.405 675 HB2 GLN 84 HB2 GLN 84 -11.636 -7.074 8.758 676 HB3 GLN 84 HB1 GLN 84 -10.121 -7.928 8.974 677 HG2 GLN 84 HG2 GLN 84 -10.582 -5.683 7.050 678 HG3 GLN 84 HG1 GLN 84 -9.798 -5.531 8.626 679 HE21 GLN 84 HE21 GLN 84 -9.533 -6.854 5.412 680 HE22 GLN 84 HE22 GLN 84 -7.851 -7.187 5.476 681 H ASP 85 HN ASP 85 -11.972 -9.054 9.391 682 HA ASP 85 HA ASP 85 -11.298 -11.848 9.023 683 HB2 ASP 85 HB2 ASP 85 -10.688 -10.855 11.145 684 HB3 ASP 85 HB1 ASP 85 -12.342 -10.322 11.411 685 H SER 86 HN SER 86 -13.844 -9.795 8.556 686 HA SER 86 HA SER 86 -15.919 -11.787 9.032 687 HB2 SER 86 HB2 SER 86 -16.161 -8.990 7.901 688 HB3 SER 86 HB1 SER 86 -17.489 -10.020 8.439 689 HG SER 86 HG SER 86 -15.774 -9.900 10.433 690 H ALA 87 HN ALA 87 -14.126 -10.363 6.398 691 HA ALA 87 HA ALA 87 -15.834 -11.303 4.333 692 HB1 ALA 87 HB1 ALA 87 -12.970 -10.394 4.223 693 HB2 ALA 87 HB2 ALA 87 -14.401 -9.417 3.895 694 HB3 ALA 87 HB3 ALA 87 -13.968 -10.737 2.811 695 H THR 88 HN THR 88 -13.519 -12.687 6.268 696 HA THR 88 HA THR 88 -12.754 -14.837 4.508 697 HB THR 88 HB THR 88 -12.347 -14.763 7.499 698 HG1 THR 88 HG1 THR 88 -11.278 -13.143 5.522 699 HG21 THR 88 HG21 THR 88 -10.737 -15.962 5.236 700 HG22 THR 88 HG22 THR 88 -11.752 -16.852 6.369 701 HG23 THR 88 HG23 THR 88 -10.306 -16.023 6.945 702 H LEU 89 HN LEU 89 -15.514 -14.113 6.112 703 HA LEU 89 HA LEU 89 -16.208 -16.941 6.564 704 HB2 LEU 89 HB2 LEU 89 -17.309 -14.523 8.006 705 HB3 LEU 89 HB1 LEU 89 -17.746 -16.193 8.309 706 HG LEU 89 HG LEU 89 -14.989 -15.044 8.752 707 HD11 LEU 89 HD11 LEU 89 -16.614 -14.068 10.286 708 HD12 LEU 89 HD12 LEU 89 -15.518 -15.163 11.126 709 HD13 LEU 89 HD13 LEU 89 -17.158 -15.681 10.744 710 HD21 LEU 89 HD21 LEU 89 -14.957 -17.425 8.276 711 HD22 LEU 89 HD22 LEU 89 -16.202 -17.703 9.494 712 HD23 LEU 89 HD23 LEU 89 -14.605 -17.135 9.979 713 H THR 90 HN THR 90 -16.782 -14.100 4.856 714 HA THR 90 HA THR 90 -19.552 -14.825 4.224 715 HB THR 90 HB THR 90 -19.611 -12.547 3.133 716 HG1 THR 90 HG1 THR 90 -17.832 -11.167 4.085 717 HG21 THR 90 HG21 THR 90 -18.948 -12.650 6.079 718 HG22 THR 90 HG22 THR 90 -20.536 -12.931 5.367 719 HG23 THR 90 HG23 THR 90 -19.791 -11.337 5.259 720 H LYS 91 HN LYS 91 -16.551 -15.390 3.023 721 HA LYS 91 HA LYS 91 -15.916 -16.494 1.143 722 HB2 LYS 91 HB2 LYS 91 -18.777 -16.044 0.286 723 HB3 LYS 91 HB1 LYS 91 -17.574 -16.722 -0.801 724 HG2 LYS 91 HG2 LYS 91 -18.771 -18.539 0.123 725 HG3 LYS 91 HG1 LYS 91 -17.192 -18.524 0.907 726 HD2 LYS 91 HD2 LYS 91 -18.259 -17.263 2.802 727 HD3 LYS 91 HD1 LYS 91 -19.818 -17.572 2.037 728 HE2 LYS 91 HE2 LYS 91 -19.448 -19.223 3.738 729 HE3 LYS 91 HE1 LYS 91 -19.343 -19.997 2.158 730 HZ1 LYS 91 HZ1 LYS 91 -16.940 -19.933 2.312 731 HZ2 LYS 91 HZ2 LYS 91 -17.587 -20.736 3.652 732 HZ3 LYS 91 HZ3 LYS 91 -17.024 -19.150 3.810 733 H ASP 92 HN ASP 92 -15.500 -14.002 1.896 734 HA ASP 92 HA ASP 92 -14.429 -12.114 1.211 735 HB2 ASP 92 HB2 ASP 92 -13.478 -13.723 -0.550 736 HB3 ASP 92 HB1 ASP 92 -14.663 -13.033 -1.653 737 H ALA 93 HN ALA 93 -17.003 -11.889 1.769 738 HA ALA 93 HA ALA 93 -18.852 -10.605 1.566 739 HB1 ALA 93 HB1 ALA 93 -17.074 -8.899 -0.171 740 HB2 ALA 93 HB2 ALA 93 -17.185 -8.815 1.587 741 HB3 ALA 93 HB3 ALA 93 -18.579 -8.392 0.595 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 21.241 -2.992 1.019 2 H2 MET 1 HT2 MET 1 20.619 -2.077 -0.259 3 H3 MET 1 HT3 MET 1 21.624 -3.393 -0.579 4 HA MET 1 HA MET 1 19.309 -3.905 -1.022 5 HB2 MET 1 HB2 MET 1 19.179 -5.970 0.322 6 HB3 MET 1 HB1 MET 1 20.778 -5.728 -0.366 7 HG2 MET 1 HG2 MET 1 21.581 -4.897 1.784 8 HG3 MET 1 HG1 MET 1 19.977 -5.135 2.475 9 HE1 MET 1 HE1 MET 1 18.859 -7.487 2.860 10 HE2 MET 1 HE2 MET 1 19.591 -9.016 2.373 11 HE3 MET 1 HE3 MET 1 19.056 -7.866 1.150 12 H VAL 2 HN VAL 2 17.175 -4.116 -0.270 13 HA VAL 2 HA VAL 2 16.651 -2.557 2.166 14 HB VAL 2 HB VAL 2 15.985 -1.331 0.174 15 HG11 VAL 2 HG11 VAL 2 14.333 -2.153 -1.367 16 HG12 VAL 2 HG12 VAL 2 14.157 -3.640 -0.438 17 HG13 VAL 2 HG13 VAL 2 15.669 -3.299 -1.279 18 HG21 VAL 2 HG21 VAL 2 13.566 -2.402 1.625 19 HG22 VAL 2 HG22 VAL 2 13.665 -0.882 0.734 20 HG23 VAL 2 HG23 VAL 2 14.614 -1.107 2.203 21 H THR 3 HN THR 3 15.233 -3.323 3.619 22 HA THR 3 HA THR 3 14.196 -6.040 3.186 23 HB THR 3 HB THR 3 14.443 -4.637 5.845 24 HG1 THR 3 HG1 THR 3 16.525 -4.644 4.990 25 HG21 THR 3 HG21 THR 3 14.432 -7.556 5.059 26 HG22 THR 3 HG22 THR 3 13.083 -6.676 5.774 27 HG23 THR 3 HG23 THR 3 14.560 -6.933 6.703 28 H LYS 4 HN LYS 4 12.034 -6.506 3.788 29 HA LYS 4 HA LYS 4 10.193 -4.406 3.207 30 HB2 LYS 4 HB2 LYS 4 8.550 -6.022 3.148 31 HB3 LYS 4 HB1 LYS 4 9.964 -7.031 2.886 32 HG2 LYS 4 HG2 LYS 4 9.971 -7.766 5.145 33 HG3 LYS 4 HG1 LYS 4 8.767 -6.552 5.601 34 HD2 LYS 4 HD2 LYS 4 7.111 -7.669 4.186 35 HD3 LYS 4 HD1 LYS 4 8.313 -8.872 3.719 36 HE2 LYS 4 HE2 LYS 4 6.814 -9.717 5.464 37 HE3 LYS 4 HE1 LYS 4 8.483 -9.630 6.022 38 HZ1 LYS 4 HZ1 LYS 4 6.817 -8.813 7.644 39 HZ2 LYS 4 HZ2 LYS 4 6.448 -7.544 6.593 40 HZ3 LYS 4 HZ3 LYS 4 8.003 -7.668 7.259 41 H GLU 5 HN GLU 5 11.875 -5.256 5.897 42 HA GLU 5 HA GLU 5 9.832 -4.964 7.877 43 HB2 GLU 5 HB2 GLU 5 12.825 -5.207 8.016 44 HB3 GLU 5 HB1 GLU 5 11.811 -5.061 9.452 45 HG2 GLU 5 HG2 GLU 5 11.768 -7.266 7.405 46 HG3 GLU 5 HG1 GLU 5 12.337 -7.370 9.070 47 H GLN 6 HN GLN 6 12.334 -2.999 6.491 48 HA GLN 6 HA GLN 6 11.729 -0.737 8.149 49 HB2 GLN 6 HB2 GLN 6 13.177 0.525 6.659 50 HB3 GLN 6 HB1 GLN 6 13.962 -0.968 7.140 51 HG2 GLN 6 HG2 GLN 6 14.438 -1.141 4.966 52 HG3 GLN 6 HG1 GLN 6 12.777 -1.722 4.822 53 HE21 GLN 6 HE21 GLN 6 11.185 -0.299 3.979 54 HE22 GLN 6 HE22 GLN 6 11.623 1.117 3.074 55 H VAL 7 HN VAL 7 10.533 -2.194 5.293 56 HA VAL 7 HA VAL 7 9.269 0.098 4.129 57 HB VAL 7 HB VAL 7 8.777 -2.871 3.753 58 HG11 VAL 7 HG11 VAL 7 6.824 -1.533 3.166 59 HG12 VAL 7 HG12 VAL 7 7.555 -2.292 1.754 60 HG13 VAL 7 HG13 VAL 7 7.814 -0.576 2.068 61 HG21 VAL 7 HG21 VAL 7 11.000 -2.203 3.040 62 HG22 VAL 7 HG22 VAL 7 10.317 -0.903 2.063 63 HG23 VAL 7 HG23 VAL 7 9.995 -2.585 1.643 64 H GLU 8 HN GLU 8 8.389 -2.570 6.140 65 HA GLU 8 HA GLU 8 5.689 -2.231 6.548 66 HB2 GLU 8 HB2 GLU 8 8.002 -3.400 7.940 67 HB3 GLU 8 HB1 GLU 8 6.591 -3.090 8.958 68 HG2 GLU 8 HG2 GLU 8 6.583 -4.717 6.420 69 HG3 GLU 8 HG1 GLU 8 6.667 -5.385 8.047 70 H ALA 9 HN ALA 9 8.427 -0.757 8.231 71 HA ALA 9 HA ALA 9 6.694 0.715 10.019 72 HB1 ALA 9 HB1 ALA 9 9.691 0.837 9.677 73 HB2 ALA 9 HB2 ALA 9 8.832 -0.199 10.816 74 HB3 ALA 9 HB3 ALA 9 8.760 1.552 10.992 75 H SER 10 HN SER 10 8.313 1.106 7.019 76 HA SER 10 HA SER 10 8.493 3.979 7.076 77 HB2 SER 10 HB2 SER 10 9.905 2.559 5.589 78 HB3 SER 10 HB1 SER 10 8.465 2.154 4.657 79 HG SER 10 HG SER 10 9.549 3.866 3.669 80 H LEU 11 HN LEU 11 6.317 1.679 5.516 81 HA LEU 11 HA LEU 11 4.499 3.509 4.441 82 HB2 LEU 11 HB2 LEU 11 4.354 0.636 5.278 83 HB3 LEU 11 HB1 LEU 11 2.888 1.466 4.801 84 HG LEU 11 HG LEU 11 4.000 0.098 3.002 85 HD11 LEU 11 HD11 LEU 11 3.585 1.725 1.266 86 HD12 LEU 11 HD12 LEU 11 3.684 3.039 2.439 87 HD13 LEU 11 HD13 LEU 11 2.370 1.865 2.535 88 HD21 LEU 11 HD21 LEU 11 6.038 2.331 3.072 89 HD22 LEU 11 HD22 LEU 11 5.913 1.092 1.826 90 HD23 LEU 11 HD23 LEU 11 6.343 0.641 3.475 91 H THR 12 HN THR 12 4.722 2.040 7.629 92 HA THR 12 HA THR 12 2.286 2.999 8.671 93 HB THR 12 HB THR 12 4.853 2.317 10.126 94 HG1 THR 12 HG1 THR 12 4.192 0.474 9.132 95 HG21 THR 12 HG21 THR 12 3.402 3.586 11.584 96 HG22 THR 12 HG22 THR 12 3.345 1.888 12.056 97 HG23 THR 12 HG23 THR 12 2.021 2.590 11.130 98 H SER 13 HN SER 13 5.205 4.601 7.936 99 HA SER 13 HA SER 13 4.795 6.737 9.883 100 HB2 SER 13 HB2 SER 13 6.958 6.315 7.815 101 HB3 SER 13 HB1 SER 13 6.938 7.613 9.011 102 HG SER 13 HG SER 13 6.908 4.836 9.646 103 H LYS 14 HN LYS 14 4.863 6.196 6.412 104 HA LYS 14 HA LYS 14 4.333 8.966 5.796 105 HB2 LYS 14 HB2 LYS 14 4.495 6.507 4.046 106 HB3 LYS 14 HB1 LYS 14 4.319 8.148 3.448 107 HG2 LYS 14 HG2 LYS 14 6.639 7.285 5.144 108 HG3 LYS 14 HG1 LYS 14 6.637 7.154 3.384 109 HD2 LYS 14 HD2 LYS 14 6.147 9.602 3.281 110 HD3 LYS 14 HD1 LYS 14 6.375 9.666 5.030 111 HE2 LYS 14 HE2 LYS 14 8.387 10.310 3.687 112 HE3 LYS 14 HE1 LYS 14 8.653 9.001 4.836 113 HZ1 LYS 14 HZ1 LYS 14 8.604 7.414 3.111 114 HZ2 LYS 14 HZ2 LYS 14 9.616 8.652 2.561 115 HZ3 LYS 14 HZ3 LYS 14 8.034 8.528 1.975 116 H LEU 15 HN LEU 15 2.598 5.980 6.082 117 HA LEU 15 HA LEU 15 0.212 7.209 4.858 118 HB2 LEU 15 HB2 LEU 15 1.388 4.477 4.723 119 HB3 LEU 15 HB1 LEU 15 -0.361 4.616 4.667 120 HG LEU 15 HG LEU 15 0.785 4.464 2.424 121 HD11 LEU 15 HD11 LEU 15 -1.465 5.287 2.568 122 HD12 LEU 15 HD12 LEU 15 -0.569 6.259 1.400 123 HD13 LEU 15 HD13 LEU 15 -0.891 6.893 3.012 124 HD21 LEU 15 HD21 LEU 15 1.602 7.297 3.031 125 HD22 LEU 15 HD22 LEU 15 1.849 6.424 1.515 126 HD23 LEU 15 HD23 LEU 15 2.704 5.919 2.974 127 H LYS 16 HN LYS 16 1.589 6.143 7.666 128 HA LYS 16 HA LYS 16 0.870 6.082 9.795 129 HB2 LYS 16 HB2 LYS 16 -1.852 6.799 8.685 130 HB3 LYS 16 HB1 LYS 16 -1.412 6.816 10.385 131 HG2 LYS 16 HG2 LYS 16 -0.230 8.564 8.236 132 HG3 LYS 16 HG1 LYS 16 -1.417 9.058 9.441 133 HD2 LYS 16 HD2 LYS 16 1.365 8.059 10.055 134 HD3 LYS 16 HD1 LYS 16 0.884 9.755 10.010 135 HE2 LYS 16 HE2 LYS 16 -0.728 9.333 11.812 136 HE3 LYS 16 HE1 LYS 16 -0.218 7.648 11.866 137 HZ1 LYS 16 HZ1 LYS 16 0.875 8.899 13.587 138 HZ2 LYS 16 HZ2 LYS 16 1.476 10.010 12.464 139 HZ3 LYS 16 HZ3 LYS 16 2.024 8.411 12.445 140 HA PRO 17 HA PRO 17 -0.355 1.907 10.268 141 HB2 PRO 17 HB2 PRO 17 -1.049 1.821 12.886 142 HB3 PRO 17 HB1 PRO 17 0.624 1.988 12.346 143 HG2 PRO 17 HG2 PRO 17 -1.277 4.087 13.310 144 HG3 PRO 17 HG1 PRO 17 0.444 3.879 13.682 145 HD2 PRO 17 HD2 PRO 17 -0.462 5.675 11.864 146 HD3 PRO 17 HD1 PRO 17 1.117 4.882 11.725 147 H ILE 18 HN ILE 18 -2.348 2.829 8.879 148 HA ILE 18 HA ILE 18 -4.835 2.380 10.352 149 HB ILE 18 HB ILE 18 -4.498 2.919 7.409 150 HG12 ILE 18 HG12 ILE 18 -5.012 4.973 9.566 151 HG13 ILE 18 HG11 ILE 18 -3.403 4.618 8.949 152 HG21 ILE 18 HG21 ILE 18 -6.809 3.311 9.318 153 HG22 ILE 18 HG22 ILE 18 -6.691 2.087 8.053 154 HG23 ILE 18 HG23 ILE 18 -6.801 3.795 7.622 155 HD11 ILE 18 HD11 ILE 18 -4.422 6.600 7.931 156 HD12 ILE 18 HD12 ILE 18 -5.702 5.577 7.278 157 HD13 ILE 18 HD13 ILE 18 -4.031 5.339 6.764 158 H HIS 19 HN HIS 19 -4.009 1.313 7.056 159 HA HIS 19 HA HIS 19 -4.004 -1.461 7.975 160 HB2 HIS 19 HB2 HIS 19 -6.323 -1.004 7.239 161 HB3 HIS 19 HB1 HIS 19 -5.713 -0.466 5.682 162 HD1 HIS 19 HD1 HIS 19 -6.852 -3.448 7.463 163 HD2 HIS 19 HD2 HIS 19 -4.540 -2.615 4.116 164 HE1 HIS 19 HE1 HIS 19 -6.879 -5.545 6.071 165 HE2 HIS 19 HE2 HIS 19 -5.488 -5.024 4.048 166 H LEU 20 HN LEU 20 -1.924 -1.727 7.549 167 HA LEU 20 HA LEU 20 -1.043 -1.438 4.761 168 HB2 LEU 20 HB2 LEU 20 0.655 -0.807 7.179 169 HB3 LEU 20 HB1 LEU 20 1.100 -0.608 5.497 170 HG LEU 20 HG LEU 20 -1.162 0.936 6.739 171 HD11 LEU 20 HD11 LEU 20 0.420 2.773 7.027 172 HD12 LEU 20 HD12 LEU 20 1.739 1.713 6.533 173 HD13 LEU 20 HD13 LEU 20 0.852 1.383 8.021 174 HD21 LEU 20 HD21 LEU 20 0.563 1.408 4.311 175 HD22 LEU 20 HD22 LEU 20 -0.742 2.451 4.875 176 HD23 LEU 20 HD23 LEU 20 -1.100 0.823 4.299 177 H GLU 21 HN GLU 21 -0.111 -3.233 4.020 178 HA GLU 21 HA GLU 21 1.256 -5.074 5.790 179 HB2 GLU 21 HB2 GLU 21 -1.132 -5.887 4.113 180 HB3 GLU 21 HB1 GLU 21 -0.000 -7.025 4.826 181 HG2 GLU 21 HG2 GLU 21 -0.618 -6.262 7.052 182 HG3 GLU 21 HG1 GLU 21 -1.734 -5.094 6.348 183 H VAL 22 HN VAL 22 3.159 -4.764 4.719 184 HA VAL 22 HA VAL 22 3.148 -5.110 1.821 185 HB VAL 22 HB VAL 22 5.405 -4.317 1.795 186 HG11 VAL 22 HG11 VAL 22 5.076 -2.102 3.030 187 HG12 VAL 22 HG12 VAL 22 3.511 -2.753 3.520 188 HG13 VAL 22 HG13 VAL 22 3.888 -2.544 1.810 189 HG21 VAL 22 HG21 VAL 22 6.630 -3.703 3.824 190 HG22 VAL 22 HG22 VAL 22 6.256 -5.426 3.799 191 HG23 VAL 22 HG23 VAL 22 5.312 -4.335 4.813 192 H ILE 23 HN ILE 23 4.026 -6.812 0.808 193 HA ILE 23 HA ILE 23 4.994 -8.986 2.501 194 HB ILE 23 HB ILE 23 3.162 -9.348 0.140 195 HG12 ILE 23 HG12 ILE 23 2.458 -9.540 3.077 196 HG13 ILE 23 HG11 ILE 23 2.058 -8.166 2.053 197 HG21 ILE 23 HG21 ILE 23 4.627 -11.241 0.624 198 HG22 ILE 23 HG22 ILE 23 2.942 -11.633 0.964 199 HG23 ILE 23 HG23 ILE 23 4.045 -11.264 2.289 200 HD11 ILE 23 HD11 ILE 23 1.073 -10.985 1.698 201 HD12 ILE 23 HD12 ILE 23 0.681 -9.620 0.654 202 HD13 ILE 23 HD13 ILE 23 0.150 -9.625 2.336 203 H ASP 24 HN ASP 24 7.012 -8.919 1.954 204 HA ASP 24 HA ASP 24 8.142 -8.528 -0.581 205 HB2 ASP 24 HB2 ASP 24 9.525 -8.250 1.351 206 HB3 ASP 24 HB1 ASP 24 9.193 -9.889 1.899 207 H ILE 25 HN ILE 25 8.204 -9.775 -2.265 208 HA ILE 25 HA ILE 25 7.642 -12.650 -1.958 209 HB ILE 25 HB ILE 25 7.337 -11.004 -4.476 210 HG12 ILE 25 HG12 ILE 25 5.825 -10.159 -2.719 211 HG13 ILE 25 HG11 ILE 25 4.939 -10.934 -4.027 212 HG21 ILE 25 HG21 ILE 25 7.571 -13.394 -4.863 213 HG22 ILE 25 HG22 ILE 25 5.929 -12.864 -5.229 214 HG23 ILE 25 HG23 ILE 25 6.265 -13.720 -3.724 215 HD11 ILE 25 HD11 ILE 25 5.557 -12.140 -1.340 216 HD12 ILE 25 HD12 ILE 25 4.699 -12.947 -2.652 217 HD13 ILE 25 HD13 ILE 25 3.995 -11.525 -1.881 218 H SER 26 HN SER 26 10.215 -10.639 -2.313 219 HA SER 26 HA SER 26 11.671 -12.627 -3.912 220 HB2 SER 26 HB2 SER 26 12.967 -10.538 -4.820 221 HB3 SER 26 HB1 SER 26 11.435 -11.012 -5.551 222 HG SER 26 HG SER 26 10.613 -9.207 -4.913 223 H GLY 27 HN GLY 27 12.636 -9.533 -2.394 224 HA2 GLY 27 HA2 GLY 27 13.813 -10.567 -0.126 225 HA3 GLY 27 HA1 GLY 27 15.030 -10.676 -1.386 226 H GLY 28 HN GLY 28 16.333 -9.027 -1.552 227 HA2 GLY 28 HA2 GLY 28 15.462 -6.419 -0.453 228 HA3 GLY 28 HA1 GLY 28 17.059 -7.082 -0.152 229 H CYS 29 HN CYS 29 17.181 -8.111 -2.889 230 HA CYS 29 HA CYS 29 18.063 -5.623 -4.179 231 HB2 CYS 29 HB2 CYS 29 19.800 -7.353 -3.702 232 HB3 CYS 29 HB1 CYS 29 18.928 -8.473 -4.743 233 HG CYS 29 HG CYS 29 19.321 -5.937 -6.629 234 H GLY 30 HN GLY 30 16.381 -8.648 -4.645 235 HA2 GLY 30 HA2 GLY 30 15.312 -7.933 -7.235 236 HA3 GLY 30 HA1 GLY 30 14.913 -9.360 -6.273 237 H SER 31 HN SER 31 14.866 -7.245 -4.093 238 HA SER 31 HA SER 31 12.546 -7.601 -3.047 239 HB2 SER 31 HB2 SER 31 12.758 -5.370 -1.999 240 HB3 SER 31 HB1 SER 31 14.268 -6.245 -2.056 241 HG SER 31 HG SER 31 14.941 -4.421 -2.886 242 H SER 32 HN SER 32 10.690 -7.704 -3.769 243 HA SER 32 HA SER 32 9.408 -5.389 -5.040 244 HB2 SER 32 HB2 SER 32 9.882 -7.060 -6.800 245 HB3 SER 32 HB1 SER 32 9.061 -8.294 -5.848 246 HG SER 32 HG SER 32 7.142 -7.368 -6.255 247 H PHE 33 HN PHE 33 7.891 -4.737 -3.657 248 HA PHE 33 HA PHE 33 6.909 -6.718 -1.721 249 HB2 PHE 33 HB2 PHE 33 6.968 -3.715 -1.435 250 HB3 PHE 33 HB1 PHE 33 6.581 -4.886 -0.179 251 HD1 PHE 33 HD2 PHE 33 8.465 -6.726 0.146 252 HD2 PHE 33 HD1 PHE 33 9.091 -2.827 -1.417 253 HE1 PHE 33 HE2 PHE 33 10.841 -6.863 0.767 254 HE2 PHE 33 HE1 PHE 33 11.469 -2.959 -0.805 255 HZ PHE 33 HZ PHE 33 12.344 -4.975 0.294 256 H GLU 34 HN GLU 34 4.883 -7.222 -1.638 257 HA GLU 34 HA GLU 34 2.925 -5.782 -3.264 258 HB2 GLU 34 HB2 GLU 34 2.647 -8.304 -1.611 259 HB3 GLU 34 HB1 GLU 34 1.451 -7.667 -2.723 260 HG2 GLU 34 HG2 GLU 34 4.199 -8.578 -3.529 261 HG3 GLU 34 HG1 GLU 34 2.752 -9.580 -3.607 262 H VAL 35 HN VAL 35 2.019 -4.041 -2.272 263 HA VAL 35 HA VAL 35 1.668 -4.192 0.641 264 HB VAL 35 HB VAL 35 3.064 -2.338 -0.200 265 HG11 VAL 35 HG11 VAL 35 1.933 -1.895 -2.307 266 HG12 VAL 35 HG12 VAL 35 2.061 -0.436 -1.323 267 HG13 VAL 35 HG13 VAL 35 0.527 -1.300 -1.421 268 HG21 VAL 35 HG21 VAL 35 1.939 -2.162 1.939 269 HG22 VAL 35 HG22 VAL 35 0.519 -1.490 1.143 270 HG23 VAL 35 HG23 VAL 35 2.036 -0.589 1.148 271 H GLU 36 HN GLU 36 -0.224 -3.823 1.606 272 HA GLU 36 HA GLU 36 -2.539 -3.156 -0.069 273 HB2 GLU 36 HB2 GLU 36 -2.645 -5.457 0.873 274 HB3 GLU 36 HB1 GLU 36 -2.508 -4.779 2.490 275 HG2 GLU 36 HG2 GLU 36 -4.627 -3.817 2.396 276 HG3 GLU 36 HG1 GLU 36 -4.716 -3.964 0.647 277 H VAL 37 HN VAL 37 -3.172 -1.161 0.321 278 HA VAL 37 HA VAL 37 -2.496 0.119 2.878 279 HB VAL 37 HB VAL 37 -2.543 1.521 0.203 280 HG11 VAL 37 HG11 VAL 37 -1.501 2.371 2.891 281 HG12 VAL 37 HG12 VAL 37 -2.965 2.947 2.096 282 HG13 VAL 37 HG13 VAL 37 -1.384 3.309 1.403 283 HG21 VAL 37 HG21 VAL 37 -0.092 1.576 0.278 284 HG22 VAL 37 HG22 VAL 37 -0.710 -0.070 0.147 285 HG23 VAL 37 HG23 VAL 37 -0.120 0.529 1.697 286 H VAL 38 HN VAL 38 -4.209 0.823 3.841 287 HA VAL 38 HA VAL 38 -6.246 2.125 2.196 288 HB VAL 38 HB VAL 38 -6.936 0.762 4.788 289 HG11 VAL 38 HG11 VAL 38 -8.525 2.376 4.180 290 HG12 VAL 38 HG12 VAL 38 -9.208 0.828 3.656 291 HG13 VAL 38 HG13 VAL 38 -8.459 1.912 2.481 292 HG21 VAL 38 HG21 VAL 38 -6.111 -0.977 3.291 293 HG22 VAL 38 HG22 VAL 38 -7.169 -0.391 2.007 294 HG23 VAL 38 HG23 VAL 38 -7.862 -1.094 3.468 295 H SER 39 HN SER 39 -5.690 4.179 2.493 296 HA SER 39 HA SER 39 -5.250 5.105 5.231 297 HB2 SER 39 HB2 SER 39 -3.063 4.539 4.270 298 HB3 SER 39 HB1 SER 39 -3.388 5.614 2.911 299 HG SER 39 HG SER 39 -2.579 6.193 5.476 300 H GLU 40 HN GLU 40 -4.965 7.480 5.293 301 HA GLU 40 HA GLU 40 -7.308 8.718 4.298 302 HB2 GLU 40 HB2 GLU 40 -6.473 10.689 5.475 303 HB3 GLU 40 HB1 GLU 40 -6.296 9.246 6.463 304 HG2 GLU 40 HG2 GLU 40 -3.967 9.137 6.063 305 HG3 GLU 40 HG1 GLU 40 -4.063 10.376 4.811 306 H GLN 41 HN GLN 41 -4.521 8.064 2.679 307 HA GLN 41 HA GLN 41 -4.288 10.654 1.343 308 HB2 GLN 41 HB2 GLN 41 -2.643 8.178 1.408 309 HB3 GLN 41 HB1 GLN 41 -2.614 9.101 -0.085 310 HG2 GLN 41 HG2 GLN 41 -0.775 9.820 1.203 311 HG3 GLN 41 HG1 GLN 41 -1.975 11.106 1.267 312 HE21 GLN 41 HE21 GLN 41 -2.187 8.145 3.120 313 HE22 GLN 41 HE22 GLN 41 -1.934 8.870 4.660 314 H PHE 42 HN PHE 42 -6.257 8.195 1.249 315 HA PHE 42 HA PHE 42 -6.677 8.290 -1.657 316 HB2 PHE 42 HB2 PHE 42 -7.372 6.117 0.334 317 HB3 PHE 42 HB1 PHE 42 -7.684 6.047 -1.398 318 HD1 PHE 42 HD2 PHE 42 -4.906 7.363 -2.070 319 HD2 PHE 42 HD1 PHE 42 -6.104 4.075 0.351 320 HE1 PHE 42 HE2 PHE 42 -2.708 6.313 -2.396 321 HE2 PHE 42 HE1 PHE 42 -3.919 3.036 0.041 322 HZ PHE 42 HZ PHE 42 -2.211 4.146 -1.340 323 H GLU 43 HN GLU 43 -7.646 9.865 0.825 324 HA GLU 43 HA GLU 43 -10.234 8.861 1.502 325 HB2 GLU 43 HB2 GLU 43 -8.755 10.098 3.071 326 HB3 GLU 43 HB1 GLU 43 -9.040 11.561 2.141 327 HG2 GLU 43 HG2 GLU 43 -10.420 11.486 4.140 328 HG3 GLU 43 HG1 GLU 43 -11.403 11.469 2.676 329 H GLY 44 HN GLY 44 -12.012 9.024 0.282 330 HA2 GLY 44 HA2 GLY 44 -13.533 9.816 -1.253 331 HA3 GLY 44 HA1 GLY 44 -13.089 11.418 -0.678 332 H LYS 45 HN LYS 45 -10.795 9.240 -2.090 333 HA LYS 45 HA LYS 45 -10.262 11.227 -4.149 334 HB2 LYS 45 HB2 LYS 45 -8.633 9.205 -2.649 335 HB3 LYS 45 HB1 LYS 45 -8.024 10.010 -4.053 336 HG2 LYS 45 HG2 LYS 45 -8.903 11.303 -1.497 337 HG3 LYS 45 HG1 LYS 45 -7.235 11.091 -2.038 338 HD2 LYS 45 HD2 LYS 45 -7.624 12.578 -3.920 339 HD3 LYS 45 HD1 LYS 45 -9.319 12.748 -3.461 340 HE2 LYS 45 HE2 LYS 45 -6.956 13.595 -1.793 341 HE3 LYS 45 HE1 LYS 45 -7.976 14.672 -2.744 342 HZ1 LYS 45 HZ1 LYS 45 -9.854 14.070 -1.368 343 HZ2 LYS 45 HZ2 LYS 45 -8.598 14.653 -0.401 344 HZ3 LYS 45 HZ3 LYS 45 -8.906 12.991 -0.474 345 H ARG 46 HN ARG 46 -9.481 10.449 -6.208 346 HA ARG 46 HA ARG 46 -10.687 7.917 -7.008 347 HB2 ARG 46 HB2 ARG 46 -9.354 10.059 -8.677 348 HB3 ARG 46 HB1 ARG 46 -10.219 8.661 -9.298 349 HG2 ARG 46 HG2 ARG 46 -11.381 10.954 -7.735 350 HG3 ARG 46 HG1 ARG 46 -11.624 10.600 -9.446 351 HD2 ARG 46 HD2 ARG 46 -12.830 8.600 -8.929 352 HD3 ARG 46 HD1 ARG 46 -12.421 8.734 -7.221 353 HE ARG 46 HE ARG 46 -13.956 10.909 -8.401 354 HH11 ARG 46 HH11 ARG 46 -13.935 7.999 -6.457 355 HH12 ARG 46 HH12 ARG 46 -15.442 8.353 -5.679 356 HH21 ARG 46 HH21 ARG 46 -15.944 11.380 -7.382 357 HH22 ARG 46 HH22 ARG 46 -16.582 10.288 -6.193 358 H LEU 47 HN LEU 47 -9.536 6.291 -7.949 359 HA LEU 47 HA LEU 47 -7.332 5.516 -6.518 360 HB2 LEU 47 HB2 LEU 47 -8.614 4.442 -8.969 361 HB3 LEU 47 HB1 LEU 47 -7.073 3.774 -8.466 362 HG LEU 47 HG LEU 47 -8.115 3.312 -6.215 363 HD11 LEU 47 HD11 LEU 47 -10.545 3.218 -6.086 364 HD12 LEU 47 HD12 LEU 47 -10.666 3.934 -7.691 365 HD13 LEU 47 HD13 LEU 47 -9.984 4.867 -6.360 366 HD21 LEU 47 HD21 LEU 47 -7.782 1.580 -7.918 367 HD22 LEU 47 HD22 LEU 47 -9.374 1.944 -8.585 368 HD23 LEU 47 HD23 LEU 47 -9.231 1.293 -6.954 369 H LEU 48 HN LEU 48 -7.333 7.225 -9.513 370 HA LEU 48 HA LEU 48 -4.637 6.658 -10.239 371 HB2 LEU 48 HB2 LEU 48 -6.599 8.777 -11.072 372 HB3 LEU 48 HB1 LEU 48 -4.931 8.841 -11.600 373 HG LEU 48 HG LEU 48 -6.297 7.864 -13.333 374 HD11 LEU 48 HD11 LEU 48 -4.636 5.732 -11.999 375 HD12 LEU 48 HD12 LEU 48 -4.017 7.012 -13.041 376 HD13 LEU 48 HD13 LEU 48 -5.105 5.791 -13.697 377 HD21 LEU 48 HD21 LEU 48 -8.138 7.033 -11.993 378 HD22 LEU 48 HD22 LEU 48 -7.092 5.810 -11.274 379 HD23 LEU 48 HD23 LEU 48 -7.478 5.738 -12.992 380 H GLU 49 HN GLU 49 -6.239 9.402 -8.724 381 HA GLU 49 HA GLU 49 -3.945 10.875 -8.018 382 HB2 GLU 49 HB2 GLU 49 -6.379 10.831 -6.267 383 HB3 GLU 49 HB1 GLU 49 -5.389 12.200 -6.756 384 HG2 GLU 49 HG2 GLU 49 -7.246 10.688 -8.571 385 HG3 GLU 49 HG1 GLU 49 -7.647 12.200 -7.749 386 H ARG 50 HN ARG 50 -5.723 8.262 -6.605 387 HA ARG 50 HA ARG 50 -4.593 8.149 -4.052 388 HB2 ARG 50 HB2 ARG 50 -5.737 6.050 -5.886 389 HB3 ARG 50 HB1 ARG 50 -5.180 5.656 -4.253 390 HG2 ARG 50 HG2 ARG 50 -6.786 7.412 -3.420 391 HG3 ARG 50 HG1 ARG 50 -7.426 7.489 -5.060 392 HD2 ARG 50 HD2 ARG 50 -7.794 4.971 -4.861 393 HD3 ARG 50 HD1 ARG 50 -7.479 5.169 -3.141 394 HE ARG 50 HE ARG 50 -9.431 7.025 -3.977 395 HH11 ARG 50 HH11 ARG 50 -9.079 3.581 -3.352 396 HH12 ARG 50 HH12 ARG 50 -10.768 3.363 -3.010 397 HH21 ARG 50 HH21 ARG 50 -11.623 6.720 -3.538 398 HH22 ARG 50 HH22 ARG 50 -12.207 5.148 -3.084 399 H HIS 51 HN HIS 51 -3.648 6.460 -7.035 400 HA HIS 51 HA HIS 51 -1.387 5.196 -5.882 401 HB2 HIS 51 HB2 HIS 51 -1.914 5.837 -8.791 402 HB3 HIS 51 HB1 HIS 51 -0.673 4.737 -8.205 403 HD1 HIS 51 HD1 HIS 51 -3.093 4.002 -10.137 404 HD2 HIS 51 HD2 HIS 51 -2.854 3.199 -6.077 405 HE1 HIS 51 HE1 HIS 51 -4.669 2.097 -9.702 406 HE2 HIS 51 HE2 HIS 51 -4.318 1.483 -7.307 407 H ARG 52 HN ARG 52 -1.809 8.189 -7.675 408 HA ARG 52 HA ARG 52 0.943 8.776 -7.990 409 HB2 ARG 52 HB2 ARG 52 -0.907 9.769 -9.335 410 HB3 ARG 52 HB1 ARG 52 -1.405 10.680 -7.918 411 HG2 ARG 52 HG2 ARG 52 0.784 11.808 -7.909 412 HG3 ARG 52 HG1 ARG 52 1.212 10.937 -9.381 413 HD2 ARG 52 HD2 ARG 52 0.445 13.122 -9.997 414 HD3 ARG 52 HD1 ARG 52 -0.772 11.944 -10.484 415 HE ARG 52 HE ARG 52 -0.983 13.756 -8.165 416 HH11 ARG 52 HH11 ARG 52 -2.480 11.638 -10.520 417 HH12 ARG 52 HH12 ARG 52 -4.097 12.165 -10.162 418 HH21 ARG 52 HH21 ARG 52 -3.101 14.470 -7.705 419 HH22 ARG 52 HH22 ARG 52 -4.448 13.798 -8.580 420 H MET 53 HN MET 53 -1.133 8.847 -5.339 421 HA MET 53 HA MET 53 0.308 11.005 -4.015 422 HB2 MET 53 HB2 MET 53 -2.199 10.880 -3.983 423 HB3 MET 53 HB1 MET 53 -2.064 9.421 -3.017 424 HG2 MET 53 HG2 MET 53 -2.529 11.292 -1.588 425 HG3 MET 53 HG1 MET 53 -0.904 10.689 -1.271 426 HE1 MET 53 HE1 MET 53 -0.586 14.537 -0.612 427 HE2 MET 53 HE2 MET 53 -0.507 12.918 0.086 428 HE3 MET 53 HE3 MET 53 -2.066 13.614 -0.360 429 H VAL 54 HN VAL 54 -0.420 7.583 -3.707 430 HA VAL 54 HA VAL 54 0.950 7.199 -1.261 431 HB VAL 54 HB VAL 54 -0.664 5.668 -2.819 432 HG11 VAL 54 HG11 VAL 54 2.060 4.427 -3.046 433 HG12 VAL 54 HG12 VAL 54 1.039 4.993 -4.368 434 HG13 VAL 54 HG13 VAL 54 0.538 3.606 -3.400 435 HG21 VAL 54 HG21 VAL 54 -0.207 3.852 -1.159 436 HG22 VAL 54 HG22 VAL 54 -0.524 5.435 -0.453 437 HG23 VAL 54 HG23 VAL 54 1.130 4.832 -0.556 438 H ASN 55 HN ASN 55 1.839 6.914 -4.643 439 HA ASN 55 HA ASN 55 4.479 6.001 -3.991 440 HB2 ASN 55 HB2 ASN 55 4.895 5.769 -6.213 441 HB3 ASN 55 HB1 ASN 55 3.152 5.532 -6.185 442 HD21 ASN 55 HD21 ASN 55 2.500 8.287 -5.852 443 HD22 ASN 55 HD22 ASN 55 2.958 9.142 -7.280 444 H ALA 56 HN ALA 56 2.939 8.988 -4.128 445 HA ALA 56 HA ALA 56 5.188 10.604 -4.732 446 HB1 ALA 56 HB1 ALA 56 2.843 11.237 -2.936 447 HB2 ALA 56 HB2 ALA 56 2.919 11.525 -4.674 448 HB3 ALA 56 HB3 ALA 56 3.992 12.406 -3.588 449 H ALA 57 HN ALA 57 3.938 9.115 -1.831 450 HA ALA 57 HA ALA 57 6.043 10.248 -0.162 451 HB1 ALA 57 HB1 ALA 57 4.800 9.181 1.674 452 HB2 ALA 57 HB2 ALA 57 3.687 8.481 0.498 453 HB3 ALA 57 HB3 ALA 57 3.767 10.230 0.705 454 H LEU 58 HN LEU 58 5.852 7.839 -2.274 455 HA LEU 58 HA LEU 58 7.517 5.980 -0.743 456 HB2 LEU 58 HB2 LEU 58 5.053 5.504 -2.346 457 HB3 LEU 58 HB1 LEU 58 6.279 4.278 -2.269 458 HG LEU 58 HG LEU 58 4.890 5.443 0.137 459 HD11 LEU 58 HD11 LEU 58 3.326 4.244 -1.315 460 HD12 LEU 58 HD12 LEU 58 3.600 3.389 0.200 461 HD13 LEU 58 HD13 LEU 58 4.380 2.831 -1.279 462 HD21 LEU 58 HD21 LEU 58 5.827 3.523 1.311 463 HD22 LEU 58 HD22 LEU 58 7.102 4.516 0.608 464 HD23 LEU 58 HD23 LEU 58 6.636 3.003 -0.167 465 H GLU 59 HN GLU 59 7.442 8.058 -3.133 466 HA GLU 59 HA GLU 59 8.335 6.653 -5.432 467 HB2 GLU 59 HB2 GLU 59 7.396 8.895 -5.650 468 HB3 GLU 59 HB1 GLU 59 8.659 9.554 -4.600 469 HG2 GLU 59 HG2 GLU 59 9.132 10.127 -6.877 470 HG3 GLU 59 HG1 GLU 59 10.343 8.984 -6.303 471 H GLU 60 HN GLU 60 9.806 8.026 -2.658 472 HA GLU 60 HA GLU 60 12.501 7.776 -3.586 473 HB2 GLU 60 HB2 GLU 60 12.790 8.268 -0.971 474 HB3 GLU 60 HB1 GLU 60 12.403 9.518 -2.137 475 HG2 GLU 60 HG2 GLU 60 10.973 9.915 -0.344 476 HG3 GLU 60 HG1 GLU 60 9.963 9.143 -1.563 477 H GLU 61 HN GLU 61 10.209 6.044 -1.669 478 HA GLU 61 HA GLU 61 11.897 4.016 -0.684 479 HB2 GLU 61 HB2 GLU 61 9.463 4.692 -0.073 480 HB3 GLU 61 HB1 GLU 61 9.008 3.624 -1.390 481 HG2 GLU 61 HG2 GLU 61 8.853 2.414 0.666 482 HG3 GLU 61 HG1 GLU 61 10.203 1.774 -0.271 483 H MET 62 HN MET 62 9.997 4.429 -3.621 484 HA MET 62 HA MET 62 10.319 1.802 -4.607 485 HB2 MET 62 HB2 MET 62 9.663 4.390 -6.010 486 HB3 MET 62 HB1 MET 62 9.708 2.838 -6.832 487 HG2 MET 62 HG2 MET 62 7.964 2.007 -5.315 488 HG3 MET 62 HG1 MET 62 7.897 3.594 -4.551 489 HE1 MET 62 HE1 MET 62 6.674 2.751 -8.923 490 HE2 MET 62 HE2 MET 62 7.251 1.521 -7.799 491 HE3 MET 62 HE3 MET 62 8.356 2.760 -8.395 492 H LYS 63 HN LYS 63 12.377 4.570 -4.623 493 HA LYS 63 HA LYS 63 14.025 3.553 -6.781 494 HB2 LYS 63 HB2 LYS 63 14.531 5.874 -4.909 495 HB3 LYS 63 HB1 LYS 63 15.431 5.510 -6.375 496 HG2 LYS 63 HG2 LYS 63 13.324 5.828 -7.665 497 HG3 LYS 63 HG1 LYS 63 12.557 6.370 -6.173 498 HD2 LYS 63 HD2 LYS 63 14.326 8.129 -5.999 499 HD3 LYS 63 HD1 LYS 63 14.886 7.644 -7.600 500 HE2 LYS 63 HE2 LYS 63 12.232 8.841 -6.846 501 HE3 LYS 63 HE1 LYS 63 13.464 9.520 -7.904 502 HZ1 LYS 63 HZ1 LYS 63 11.825 8.684 -9.318 503 HZ2 LYS 63 HZ2 LYS 63 11.634 7.257 -8.435 504 HZ3 LYS 63 HZ3 LYS 63 13.033 7.502 -9.358 505 H GLU 64 HN GLU 64 13.656 3.078 -3.499 506 HA GLU 64 HA GLU 64 16.435 2.294 -3.044 507 HB2 GLU 64 HB2 GLU 64 14.418 3.415 -1.439 508 HB3 GLU 64 HB1 GLU 64 14.636 1.781 -0.845 509 HG2 GLU 64 HG2 GLU 64 16.815 3.832 -1.166 510 HG3 GLU 64 HG1 GLU 64 16.019 3.418 0.346 511 H ILE 65 HN ILE 65 13.318 1.065 -3.692 512 HA ILE 65 HA ILE 65 14.241 -1.703 -3.286 513 HB ILE 65 HB ILE 65 12.026 -2.409 -2.982 514 HG12 ILE 65 HG12 ILE 65 11.397 -0.109 -4.669 515 HG13 ILE 65 HG11 ILE 65 10.562 -1.639 -4.503 516 HG21 ILE 65 HG21 ILE 65 12.255 0.319 -1.714 517 HG22 ILE 65 HG22 ILE 65 12.762 -1.221 -1.027 518 HG23 ILE 65 HG23 ILE 65 11.051 -0.889 -1.268 519 HD11 ILE 65 HD11 ILE 65 10.244 0.740 -2.701 520 HD12 ILE 65 HD12 ILE 65 9.443 -0.817 -2.492 521 HD13 ILE 65 HD13 ILE 65 9.093 0.171 -3.910 522 H HIS 66 HN HIS 66 12.527 -3.004 -5.023 523 HA HIS 66 HA HIS 66 13.316 -1.819 -7.599 524 HB2 HIS 66 HB2 HIS 66 13.386 -4.616 -6.629 525 HB3 HIS 66 HB1 HIS 66 12.947 -4.365 -8.317 526 HD1 HIS 66 HD1 HIS 66 15.419 -2.091 -6.664 527 HD2 HIS 66 HD2 HIS 66 15.397 -5.336 -9.240 528 HE1 HIS 66 HE1 HIS 66 17.735 -2.249 -7.605 529 HE2 HIS 66 HE2 HIS 66 17.670 -4.140 -9.237 530 H ALA 67 HN ALA 67 10.633 -2.654 -5.711 531 HA ALA 67 HA ALA 67 8.755 -1.893 -7.645 532 HB1 ALA 67 HB1 ALA 67 7.652 -4.014 -8.107 533 HB2 ALA 67 HB2 ALA 67 8.890 -4.872 -7.191 534 HB3 ALA 67 HB3 ALA 67 9.318 -4.038 -8.684 535 H LEU 68 HN LEU 68 6.927 -1.366 -6.676 536 HA LEU 68 HA LEU 68 6.155 -2.695 -4.180 537 HB2 LEU 68 HB2 LEU 68 6.903 0.052 -4.496 538 HB3 LEU 68 HB1 LEU 68 5.188 -0.024 -4.133 539 HG LEU 68 HG LEU 68 7.380 -1.242 -2.450 540 HD11 LEU 68 HD11 LEU 68 6.809 0.520 -0.847 541 HD12 LEU 68 HD12 LEU 68 5.676 1.207 -2.009 542 HD13 LEU 68 HD13 LEU 68 7.403 1.192 -2.365 543 HD21 LEU 68 HD21 LEU 68 5.605 -1.620 -0.813 544 HD22 LEU 68 HD22 LEU 68 5.294 -2.498 -2.309 545 HD23 LEU 68 HD23 LEU 68 4.414 -1.011 -1.962 546 H SER 69 HN SER 69 4.396 -3.787 -4.765 547 HA SER 69 HA SER 69 2.596 -2.651 -6.765 548 HB2 SER 69 HB2 SER 69 2.526 -5.393 -5.487 549 HB3 SER 69 HB1 SER 69 1.639 -4.868 -6.918 550 HG SER 69 HG SER 69 4.015 -5.977 -6.816 551 H ILE 70 HN ILE 70 1.155 -1.281 -5.858 552 HA ILE 70 HA ILE 70 -0.002 -1.933 -3.286 553 HB ILE 70 HB ILE 70 0.544 0.388 -3.628 554 HG12 ILE 70 HG12 ILE 70 -2.462 0.080 -3.724 555 HG13 ILE 70 HG11 ILE 70 -1.472 -0.182 -2.292 556 HG21 ILE 70 HG21 ILE 70 -0.538 1.786 -5.310 557 HG22 ILE 70 HG22 ILE 70 -1.328 0.362 -5.982 558 HG23 ILE 70 HG23 ILE 70 0.426 0.506 -6.045 559 HD11 ILE 70 HD11 ILE 70 -1.748 2.408 -3.797 560 HD12 ILE 70 HD12 ILE 70 -0.770 2.146 -2.353 561 HD13 ILE 70 HD13 ILE 70 -2.525 2.003 -2.266 562 H LYS 71 HN LYS 71 -1.025 -3.762 -3.692 563 HA LYS 71 HA LYS 71 -2.684 -4.297 -5.909 564 HB2 LYS 71 HB2 LYS 71 -2.937 -5.598 -3.200 565 HB3 LYS 71 HB1 LYS 71 -3.287 -6.301 -4.772 566 HG2 LYS 71 HG2 LYS 71 -0.960 -6.363 -5.330 567 HG3 LYS 71 HG1 LYS 71 -0.559 -5.465 -3.862 568 HD2 LYS 71 HD2 LYS 71 -0.106 -7.889 -3.670 569 HD3 LYS 71 HD1 LYS 71 -1.273 -7.312 -2.482 570 HE2 LYS 71 HE2 LYS 71 -3.094 -8.162 -3.899 571 HE3 LYS 71 HE1 LYS 71 -1.903 -8.752 -5.056 572 HZ1 LYS 71 HZ1 LYS 71 -1.026 -10.221 -3.365 573 HZ2 LYS 71 HZ2 LYS 71 -2.678 -10.503 -3.577 574 HZ3 LYS 71 HZ3 LYS 71 -2.138 -9.638 -2.232 575 H LYS 72 HN LYS 72 -3.187 -2.810 -2.857 576 HA LYS 72 HA LYS 72 -5.975 -2.293 -3.571 577 HB2 LYS 72 HB2 LYS 72 -4.953 -3.489 -1.078 578 HB3 LYS 72 HB1 LYS 72 -6.188 -2.251 -0.900 579 HG2 LYS 72 HG2 LYS 72 -7.454 -4.156 -1.004 580 HG3 LYS 72 HG1 LYS 72 -7.444 -3.640 -2.695 581 HD2 LYS 72 HD2 LYS 72 -5.747 -5.241 -3.237 582 HD3 LYS 72 HD1 LYS 72 -5.515 -5.644 -1.535 583 HE2 LYS 72 HE2 LYS 72 -7.864 -6.461 -1.473 584 HE3 LYS 72 HE1 LYS 72 -7.962 -6.184 -3.212 585 HZ1 LYS 72 HZ1 LYS 72 -6.190 -7.782 -3.543 586 HZ2 LYS 72 HZ2 LYS 72 -7.456 -8.495 -2.677 587 HZ3 LYS 72 HZ3 LYS 72 -6.046 -8.019 -1.872 588 H ALA 73 HN ALA 73 -6.223 -0.293 -3.841 589 HA ALA 73 HA ALA 73 -5.006 1.586 -1.922 590 HB1 ALA 73 HB1 ALA 73 -5.814 2.162 -4.780 591 HB2 ALA 73 HB2 ALA 73 -4.159 1.958 -4.207 592 HB3 ALA 73 HB3 ALA 73 -5.126 3.321 -3.644 593 H GLN 74 HN GLN 74 -6.628 1.590 -0.461 594 HA GLN 74 HA GLN 74 -9.228 2.608 -1.378 595 HB2 GLN 74 HB2 GLN 74 -8.718 0.212 0.371 596 HB3 GLN 74 HB1 GLN 74 -10.229 1.104 0.468 597 HG2 GLN 74 HG2 GLN 74 -9.120 -0.267 -1.973 598 HG3 GLN 74 HG1 GLN 74 -10.466 -0.821 -0.975 599 HE21 GLN 74 HE21 GLN 74 -10.402 -0.174 -3.814 600 HE22 GLN 74 HE22 GLN 74 -11.583 1.070 -4.053 601 H THR 75 HN THR 75 -10.530 3.479 0.473 602 HA THR 75 HA THR 75 -8.704 4.648 2.441 603 HB THR 75 HB THR 75 -9.213 6.661 1.675 604 HG1 THR 75 HG1 THR 75 -11.131 7.522 2.466 605 HG21 THR 75 HG21 THR 75 -11.504 5.419 0.156 606 HG22 THR 75 HG22 THR 75 -9.876 5.690 -0.460 607 HG23 THR 75 HG23 THR 75 -10.904 7.062 -0.051 608 HA PRO 76 HA PRO 76 -11.002 3.068 5.782 609 HB2 PRO 76 HB2 PRO 76 -10.990 5.844 6.851 610 HB3 PRO 76 HB1 PRO 76 -10.490 4.336 7.624 611 HG2 PRO 76 HG2 PRO 76 -8.665 6.034 6.737 612 HG3 PRO 76 HG1 PRO 76 -8.451 4.288 6.504 613 HD2 PRO 76 HD2 PRO 76 -9.318 6.370 4.541 614 HD3 PRO 76 HD1 PRO 76 -8.246 4.973 4.308 615 H GLN 77 HN GLN 77 -12.312 5.644 3.850 616 HA GLN 77 HA GLN 77 -14.720 5.841 5.451 617 HB2 GLN 77 HB2 GLN 77 -14.984 7.806 4.461 618 HB3 GLN 77 HB1 GLN 77 -13.508 7.503 3.561 619 HG2 GLN 77 HG2 GLN 77 -15.857 6.261 2.389 620 HG3 GLN 77 HG1 GLN 77 -15.958 8.020 2.455 621 HE21 GLN 77 HE21 GLN 77 -13.190 5.985 2.169 622 HE22 GLN 77 HE22 GLN 77 -12.743 6.469 0.571 623 H GLN 78 HN GLN 78 -13.872 4.162 2.472 624 HA GLN 78 HA GLN 78 -16.640 3.248 2.062 625 HB2 GLN 78 HB2 GLN 78 -14.170 2.318 0.591 626 HB3 GLN 78 HB1 GLN 78 -15.852 2.185 0.045 627 HG2 GLN 78 HG2 GLN 78 -15.395 3.963 -1.207 628 HG3 GLN 78 HG1 GLN 78 -15.342 4.911 0.293 629 HE21 GLN 78 HE21 GLN 78 -13.216 3.388 1.361 630 HE22 GLN 78 HE22 GLN 78 -11.766 3.861 0.588 631 H TRP 79 HN TRP 79 -13.529 2.413 2.989 632 HA TRP 79 HA TRP 79 -13.960 -0.410 3.346 633 HB2 TRP 79 HB2 TRP 79 -11.999 0.057 2.271 634 HB3 TRP 79 HB1 TRP 79 -11.728 1.526 3.187 635 HD1 TRP 79 HD1 TRP 79 -10.775 1.245 5.606 636 HE1 TRP 79 HE1 TRP 79 -9.130 -0.462 6.486 637 HE3 TRP 79 HE3 TRP 79 -11.341 -2.360 2.088 638 HZ2 TRP 79 HZ2 TRP 79 -8.189 -3.039 5.866 639 HZ3 TRP 79 HZ3 TRP 79 -10.031 -4.448 2.310 640 HH2 TRP 79 HH2 TRP 79 -8.492 -4.768 4.158 641 H LYS 80 HN LYS 80 -14.767 2.262 5.023 642 HA LYS 80 HA LYS 80 -14.420 1.595 7.682 643 HB2 LYS 80 HB2 LYS 80 -16.591 2.873 6.138 644 HB3 LYS 80 HB1 LYS 80 -17.072 2.216 7.699 645 HG2 LYS 80 HG2 LYS 80 -15.152 3.550 8.677 646 HG3 LYS 80 HG1 LYS 80 -15.047 4.348 7.105 647 HD2 LYS 80 HD2 LYS 80 -17.583 4.237 8.733 648 HD3 LYS 80 HD1 LYS 80 -16.407 5.538 8.879 649 HE2 LYS 80 HE2 LYS 80 -18.043 6.343 7.402 650 HE3 LYS 80 HE1 LYS 80 -16.689 5.879 6.380 651 HZ1 LYS 80 HZ1 LYS 80 -17.818 3.964 5.664 652 HZ2 LYS 80 HZ2 LYS 80 -18.963 5.202 5.599 653 HZ3 LYS 80 HZ3 LYS 80 -18.997 4.090 6.870 654 HA PRO 81 HA PRO 81 -17.322 -2.133 7.341 655 HB2 PRO 81 HB2 PRO 81 -19.218 -2.354 5.485 656 HB3 PRO 81 HB1 PRO 81 -19.428 -1.230 6.831 657 HG2 PRO 81 HG2 PRO 81 -18.680 -0.686 3.999 658 HG3 PRO 81 HG1 PRO 81 -19.701 0.261 5.094 659 HD2 PRO 81 HD2 PRO 81 -16.990 0.726 4.527 660 HD3 PRO 81 HD1 PRO 81 -17.926 1.442 5.851 661 HA PRO 82 HA PRO 82 -15.491 -4.950 4.243 662 HB2 PRO 82 HB2 PRO 82 -18.246 -5.628 3.291 663 HB3 PRO 82 HB1 PRO 82 -16.900 -6.705 3.675 664 HG2 PRO 82 HG2 PRO 82 -18.906 -6.435 5.380 665 HG3 PRO 82 HG1 PRO 82 -17.235 -6.522 5.969 666 HD2 PRO 82 HD2 PRO 82 -19.044 -4.168 5.735 667 HD3 PRO 82 HD1 PRO 82 -17.809 -4.522 6.957 668 H SER 83 HN SER 83 -14.658 -4.475 2.228 669 HA SER 83 HA SER 83 -16.312 -2.965 0.364 670 HB2 SER 83 HB2 SER 83 -14.436 -1.292 0.057 671 HB3 SER 83 HB1 SER 83 -15.298 -1.177 1.592 672 HG SER 83 HG SER 83 -13.537 -2.637 2.374 673 H GLN 84 HN GLN 84 -15.167 -5.562 0.582 674 HA GLN 84 HA GLN 84 -13.492 -5.595 -1.842 675 HB2 GLN 84 HB2 GLN 84 -13.575 -7.676 0.344 676 HB3 GLN 84 HB1 GLN 84 -12.459 -7.609 -1.009 677 HG2 GLN 84 HG2 GLN 84 -11.405 -5.657 -0.110 678 HG3 GLN 84 HG1 GLN 84 -12.609 -5.558 1.176 679 HE21 GLN 84 HE21 GLN 84 -11.310 -5.806 2.868 680 HE22 GLN 84 HE22 GLN 84 -10.380 -7.217 3.200 681 H ASP 85 HN ASP 85 -15.886 -7.309 0.100 682 HA ASP 85 HA ASP 85 -16.671 -9.058 -2.019 683 HB2 ASP 85 HB2 ASP 85 -16.905 -9.732 0.333 684 HB3 ASP 85 HB1 ASP 85 -18.041 -8.413 0.599 685 H SER 86 HN SER 86 -17.477 -5.984 -0.869 686 HA SER 86 HA SER 86 -19.982 -5.641 -2.162 687 HB2 SER 86 HB2 SER 86 -19.585 -3.243 -1.726 688 HB3 SER 86 HB1 SER 86 -19.214 -4.224 -0.304 689 HG SER 86 HG SER 86 -17.634 -2.508 -1.452 690 H ALA 87 HN ALA 87 -16.625 -5.114 -3.025 691 HA ALA 87 HA ALA 87 -17.234 -4.034 -5.605 692 HB1 ALA 87 HB1 ALA 87 -14.825 -4.089 -5.983 693 HB2 ALA 87 HB2 ALA 87 -14.612 -5.024 -4.503 694 HB3 ALA 87 HB3 ALA 87 -15.201 -3.363 -4.421 695 H THR 88 HN THR 88 -17.530 -6.983 -4.367 696 HA THR 88 HA THR 88 -16.904 -8.368 -6.885 697 HB THR 88 HB THR 88 -17.780 -9.712 -4.325 698 HG1 THR 88 HG1 THR 88 -15.671 -8.312 -4.378 699 HG21 THR 88 HG21 THR 88 -16.615 -11.643 -5.284 700 HG22 THR 88 HG22 THR 88 -16.163 -10.680 -6.690 701 HG23 THR 88 HG23 THR 88 -17.860 -11.050 -6.383 702 H LEU 89 HN LEU 89 -19.321 -6.700 -5.512 703 HA LEU 89 HA LEU 89 -21.460 -8.520 -6.385 704 HB2 LEU 89 HB2 LEU 89 -21.543 -7.841 -4.006 705 HB3 LEU 89 HB1 LEU 89 -21.583 -6.160 -4.496 706 HG LEU 89 HG LEU 89 -23.753 -6.636 -5.670 707 HD11 LEU 89 HD11 LEU 89 -23.513 -9.040 -5.922 708 HD12 LEU 89 HD12 LEU 89 -24.978 -8.650 -5.019 709 HD13 LEU 89 HD13 LEU 89 -23.551 -9.241 -4.170 710 HD21 LEU 89 HD21 LEU 89 -23.684 -5.560 -3.489 711 HD22 LEU 89 HD22 LEU 89 -23.662 -7.136 -2.699 712 HD23 LEU 89 HD23 LEU 89 -25.080 -6.630 -3.617 713 H THR 90 HN THR 90 -19.846 -5.558 -6.815 714 HA THR 90 HA THR 90 -21.885 -4.229 -8.308 715 HB THR 90 HB THR 90 -19.853 -2.756 -8.988 716 HG1 THR 90 HG1 THR 90 -18.369 -3.215 -6.921 717 HG21 THR 90 HG21 THR 90 -19.926 -1.602 -6.821 718 HG22 THR 90 HG22 THR 90 -20.706 -3.010 -6.101 719 HG23 THR 90 HG23 THR 90 -21.538 -2.084 -7.349 720 H LYS 91 HN LYS 91 -20.034 -6.845 -9.054 721 HA LYS 91 HA LYS 91 -20.920 -6.605 -11.799 722 HB2 LYS 91 HB2 LYS 91 -18.873 -6.999 -12.887 723 HB3 LYS 91 HB1 LYS 91 -18.526 -5.734 -11.723 724 HG2 LYS 91 HG2 LYS 91 -17.957 -8.632 -11.177 725 HG3 LYS 91 HG1 LYS 91 -16.805 -7.565 -11.972 726 HD2 LYS 91 HD2 LYS 91 -16.882 -6.076 -10.005 727 HD3 LYS 91 HD1 LYS 91 -17.968 -7.219 -9.212 728 HE2 LYS 91 HE2 LYS 91 -15.668 -7.529 -8.458 729 HE3 LYS 91 HE1 LYS 91 -16.246 -8.948 -9.329 730 HZ1 LYS 91 HZ1 LYS 91 -14.518 -6.819 -10.472 731 HZ2 LYS 91 HZ2 LYS 91 -15.044 -8.207 -11.279 732 HZ3 LYS 91 HZ3 LYS 91 -13.990 -8.344 -9.967 733 H ASP 92 HN ASP 92 -20.863 -8.262 -9.088 734 HA ASP 92 HA ASP 92 -21.388 -10.357 -8.442 735 HB2 ASP 92 HB2 ASP 92 -21.836 -10.695 -11.394 736 HB3 ASP 92 HB1 ASP 92 -21.998 -12.051 -10.282 737 H ALA 93 HN ALA 93 -19.243 -10.479 -11.271 738 HA ALA 93 HA ALA 93 -17.291 -11.952 -9.718 739 HB1 ALA 93 HB1 ALA 93 -18.742 -13.741 -10.573 740 HB2 ALA 93 HB2 ALA 93 -17.124 -13.819 -11.270 741 HB3 ALA 93 HB3 ALA 93 -18.461 -13.171 -12.219 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 21.555 -3.173 -0.556 2 H2 MET 1 HT2 MET 1 21.076 -1.952 0.505 3 H3 MET 1 HT3 MET 1 20.103 -2.347 -0.819 4 HA MET 1 HA MET 1 19.699 -4.532 0.088 5 HB2 MET 1 HB2 MET 1 21.780 -4.782 1.345 6 HB3 MET 1 HB1 MET 1 21.307 -3.479 2.426 7 HG2 MET 1 HG2 MET 1 19.464 -4.801 3.266 8 HG3 MET 1 HG1 MET 1 19.841 -6.090 2.128 9 HE1 MET 1 HE1 MET 1 21.984 -7.592 2.245 10 HE2 MET 1 HE2 MET 1 23.247 -7.433 3.463 11 HE3 MET 1 HE3 MET 1 23.043 -6.182 2.238 12 H VAL 2 HN VAL 2 17.609 -4.423 0.467 13 HA VAL 2 HA VAL 2 16.618 -2.487 2.433 14 HB VAL 2 HB VAL 2 16.217 -1.506 0.242 15 HG11 VAL 2 HG11 VAL 2 14.841 -2.580 -1.434 16 HG12 VAL 2 HG12 VAL 2 14.655 -3.997 -0.402 17 HG13 VAL 2 HG13 VAL 2 16.238 -3.588 -1.061 18 HG21 VAL 2 HG21 VAL 2 14.542 -1.151 1.982 19 HG22 VAL 2 HG22 VAL 2 13.677 -2.592 1.447 20 HG23 VAL 2 HG23 VAL 2 13.802 -1.193 0.382 21 H THR 3 HN THR 3 15.053 -3.250 3.744 22 HA THR 3 HA THR 3 14.217 -6.038 3.325 23 HB THR 3 HB THR 3 13.869 -6.124 5.770 24 HG1 THR 3 HG1 THR 3 15.310 -3.767 6.169 25 HG21 THR 3 HG21 THR 3 16.246 -6.055 6.437 26 HG22 THR 3 HG22 THR 3 16.627 -5.216 4.933 27 HG23 THR 3 HG23 THR 3 16.010 -6.868 4.890 28 H LYS 4 HN LYS 4 12.078 -6.609 4.059 29 HA LYS 4 HA LYS 4 9.992 -4.769 3.498 30 HB2 LYS 4 HB2 LYS 4 9.482 -7.072 3.190 31 HB3 LYS 4 HB1 LYS 4 10.106 -7.503 4.771 32 HG2 LYS 4 HG2 LYS 4 8.205 -6.259 5.791 33 HG3 LYS 4 HG1 LYS 4 7.561 -6.029 4.166 34 HD2 LYS 4 HD2 LYS 4 7.102 -8.288 3.884 35 HD3 LYS 4 HD1 LYS 4 8.248 -8.775 5.132 36 HE2 LYS 4 HE2 LYS 4 5.984 -9.105 5.916 37 HE3 LYS 4 HE1 LYS 4 6.760 -7.825 6.843 38 HZ1 LYS 4 HZ1 LYS 4 4.935 -7.337 4.555 39 HZ2 LYS 4 HZ2 LYS 4 5.549 -6.182 5.641 40 HZ3 LYS 4 HZ3 LYS 4 4.444 -7.348 6.175 41 H GLU 5 HN GLU 5 12.043 -5.281 6.060 42 HA GLU 5 HA GLU 5 10.272 -4.862 8.249 43 HB2 GLU 5 HB2 GLU 5 13.274 -4.859 8.021 44 HB3 GLU 5 HB1 GLU 5 12.403 -4.779 9.551 45 HG2 GLU 5 HG2 GLU 5 11.454 -6.967 9.151 46 HG3 GLU 5 HG1 GLU 5 12.215 -7.031 7.562 47 H GLN 6 HN GLN 6 12.547 -2.951 6.433 48 HA GLN 6 HA GLN 6 12.071 -0.577 7.972 49 HB2 GLN 6 HB2 GLN 6 13.350 0.566 6.237 50 HB3 GLN 6 HB1 GLN 6 14.195 -0.871 6.786 51 HG2 GLN 6 HG2 GLN 6 14.460 -1.295 4.619 52 HG3 GLN 6 HG1 GLN 6 12.776 -1.826 4.667 53 HE21 GLN 6 HE21 GLN 6 11.164 -0.427 3.841 54 HE22 GLN 6 HE22 GLN 6 11.560 0.905 2.796 55 H VAL 7 HN VAL 7 10.577 -2.243 5.394 56 HA VAL 7 HA VAL 7 9.207 -0.029 4.175 57 HB VAL 7 HB VAL 7 8.756 -3.026 4.070 58 HG11 VAL 7 HG11 VAL 7 6.651 -1.828 3.713 59 HG12 VAL 7 HG12 VAL 7 7.204 -2.659 2.260 60 HG13 VAL 7 HG13 VAL 7 7.407 -0.913 2.410 61 HG21 VAL 7 HG21 VAL 7 9.617 -2.839 1.788 62 HG22 VAL 7 HG22 VAL 7 10.797 -2.285 2.975 63 HG23 VAL 7 HG23 VAL 7 9.880 -1.112 2.030 64 H GLU 8 HN GLU 8 8.666 -2.423 6.558 65 HA GLU 8 HA GLU 8 6.016 -2.148 7.247 66 HB2 GLU 8 HB2 GLU 8 8.550 -2.856 8.654 67 HB3 GLU 8 HB1 GLU 8 7.033 -2.808 9.555 68 HG2 GLU 8 HG2 GLU 8 7.832 -4.614 7.294 69 HG3 GLU 8 HG1 GLU 8 7.395 -5.058 8.940 70 H ALA 9 HN ALA 9 8.883 -0.472 8.503 71 HA ALA 9 HA ALA 9 7.294 1.135 10.304 72 HB1 ALA 9 HB1 ALA 9 9.437 2.151 10.930 73 HB2 ALA 9 HB2 ALA 9 10.234 1.266 9.629 74 HB3 ALA 9 HB3 ALA 9 9.520 0.391 10.983 75 H SER 10 HN SER 10 8.525 1.259 7.127 76 HA SER 10 HA SER 10 8.628 4.123 6.877 77 HB2 SER 10 HB2 SER 10 9.908 2.667 5.356 78 HB3 SER 10 HB1 SER 10 8.402 2.016 4.711 79 HG SER 10 HG SER 10 9.419 3.769 3.473 80 H LEU 11 HN LEU 11 6.340 1.655 5.787 81 HA LEU 11 HA LEU 11 4.489 3.489 4.704 82 HB2 LEU 11 HB2 LEU 11 4.405 0.593 5.445 83 HB3 LEU 11 HB1 LEU 11 2.922 1.416 5.005 84 HG LEU 11 HG LEU 11 3.765 1.901 2.796 85 HD11 LEU 11 HD11 LEU 11 6.353 0.608 3.666 86 HD12 LEU 11 HD12 LEU 11 6.112 2.316 3.301 87 HD13 LEU 11 HD13 LEU 11 5.954 1.112 2.024 88 HD21 LEU 11 HD21 LEU 11 4.302 -0.956 3.574 89 HD22 LEU 11 HD22 LEU 11 4.024 -0.369 1.934 90 HD23 LEU 11 HD23 LEU 11 2.740 -0.266 3.138 91 H THR 12 HN THR 12 4.891 2.112 7.904 92 HA THR 12 HA THR 12 2.422 2.958 8.989 93 HB THR 12 HB THR 12 5.068 2.558 10.408 94 HG1 THR 12 HG1 THR 12 4.550 0.622 9.486 95 HG21 THR 12 HG21 THR 12 2.245 2.529 11.482 96 HG22 THR 12 HG22 THR 12 3.445 3.786 11.774 97 HG23 THR 12 HG23 THR 12 3.703 2.159 12.402 98 H SER 13 HN SER 13 5.241 4.652 8.098 99 HA SER 13 HA SER 13 4.739 6.889 9.909 100 HB2 SER 13 HB2 SER 13 6.953 6.398 7.918 101 HB3 SER 13 HB1 SER 13 6.870 7.775 9.021 102 HG SER 13 HG SER 13 7.398 5.071 9.559 103 H LYS 14 HN LYS 14 4.692 6.078 6.492 104 HA LYS 14 HA LYS 14 4.168 8.835 5.744 105 HB2 LYS 14 HB2 LYS 14 4.463 6.347 4.048 106 HB3 LYS 14 HB1 LYS 14 4.363 7.992 3.441 107 HG2 LYS 14 HG2 LYS 14 6.470 8.553 4.383 108 HG3 LYS 14 HG1 LYS 14 6.536 7.040 5.287 109 HD2 LYS 14 HD2 LYS 14 6.721 5.779 3.235 110 HD3 LYS 14 HD1 LYS 14 6.516 7.247 2.278 111 HE2 LYS 14 HE2 LYS 14 8.599 8.137 3.253 112 HE3 LYS 14 HE1 LYS 14 8.809 6.628 4.138 113 HZ1 LYS 14 HZ1 LYS 14 8.578 6.703 1.185 114 HZ2 LYS 14 HZ2 LYS 14 9.171 5.444 2.159 115 HZ3 LYS 14 HZ3 LYS 14 10.063 6.871 1.973 116 H LEU 15 HN LEU 15 2.525 5.869 6.296 117 HA LEU 15 HA LEU 15 0.118 6.900 4.932 118 HB2 LEU 15 HB2 LEU 15 1.104 4.077 5.243 119 HB3 LEU 15 HB1 LEU 15 -0.529 4.462 4.721 120 HG LEU 15 HG LEU 15 0.381 4.179 2.672 121 HD11 LEU 15 HD11 LEU 15 1.119 6.245 1.641 122 HD12 LEU 15 HD12 LEU 15 1.416 6.949 3.232 123 HD13 LEU 15 HD13 LEU 15 -0.230 6.540 2.739 124 HD21 LEU 15 HD21 LEU 15 2.735 4.424 2.123 125 HD22 LEU 15 HD22 LEU 15 2.515 3.399 3.541 126 HD23 LEU 15 HD23 LEU 15 3.054 5.065 3.733 127 H LYS 16 HN LYS 16 1.498 5.997 7.833 128 HA LYS 16 HA LYS 16 0.733 5.968 9.953 129 HB2 LYS 16 HB2 LYS 16 -1.939 6.586 8.680 130 HB3 LYS 16 HB1 LYS 16 -1.676 6.511 10.418 131 HG2 LYS 16 HG2 LYS 16 -0.224 8.381 10.370 132 HG3 LYS 16 HG1 LYS 16 -0.135 8.349 8.609 133 HD2 LYS 16 HD2 LYS 16 -1.590 10.146 9.389 134 HD3 LYS 16 HD1 LYS 16 -2.499 8.946 8.473 135 HE2 LYS 16 HE2 LYS 16 -3.366 7.983 10.499 136 HE3 LYS 16 HE1 LYS 16 -2.338 9.027 11.482 137 HZ1 LYS 16 HZ1 LYS 16 -4.686 9.769 11.282 138 HZ2 LYS 16 HZ2 LYS 16 -4.425 10.050 9.632 139 HZ3 LYS 16 HZ3 LYS 16 -3.557 10.926 10.793 140 HA PRO 17 HA PRO 17 -0.292 1.749 10.501 141 HB2 PRO 17 HB2 PRO 17 -1.078 1.679 13.083 142 HB3 PRO 17 HB1 PRO 17 0.597 1.986 12.611 143 HG2 PRO 17 HG2 PRO 17 -1.537 3.938 13.395 144 HG3 PRO 17 HG1 PRO 17 0.161 3.879 13.902 145 HD2 PRO 17 HD2 PRO 17 -0.723 5.554 11.969 146 HD3 PRO 17 HD1 PRO 17 0.908 4.856 11.952 147 H ILE 18 HN ILE 18 -2.264 2.469 8.991 148 HA ILE 18 HA ILE 18 -4.787 1.932 10.397 149 HB ILE 18 HB ILE 18 -4.500 2.484 7.455 150 HG12 ILE 18 HG12 ILE 18 -3.395 4.321 8.717 151 HG13 ILE 18 HG11 ILE 18 -4.839 4.856 7.868 152 HG21 ILE 18 HG21 ILE 18 -6.811 3.286 7.685 153 HG22 ILE 18 HG22 ILE 18 -6.769 2.898 9.404 154 HG23 ILE 18 HG23 ILE 18 -6.643 1.609 8.206 155 HD11 ILE 18 HD11 ILE 18 -4.611 4.272 10.811 156 HD12 ILE 18 HD12 ILE 18 -6.089 4.755 9.977 157 HD13 ILE 18 HD13 ILE 18 -4.718 5.862 10.053 158 H HIS 19 HN HIS 19 -3.866 1.017 7.105 159 HA HIS 19 HA HIS 19 -3.807 -1.809 7.863 160 HB2 HIS 19 HB2 HIS 19 -6.122 -1.339 7.102 161 HB3 HIS 19 HB1 HIS 19 -5.480 -0.719 5.591 162 HD1 HIS 19 HD1 HIS 19 -6.450 -3.834 7.292 163 HD2 HIS 19 HD2 HIS 19 -4.422 -2.724 3.838 164 HE1 HIS 19 HE1 HIS 19 -6.423 -5.878 5.830 165 HE2 HIS 19 HE2 HIS 19 -5.269 -5.165 3.718 166 H LEU 20 HN LEU 20 -1.708 -2.022 7.433 167 HA LEU 20 HA LEU 20 -0.770 -1.397 4.702 168 HB2 LEU 20 HB2 LEU 20 1.066 -1.521 7.076 169 HB3 LEU 20 HB1 LEU 20 1.288 -0.678 5.555 170 HG LEU 20 HG LEU 20 -0.731 0.177 7.625 171 HD11 LEU 20 HD11 LEU 20 0.874 1.875 8.301 172 HD12 LEU 20 HD12 LEU 20 2.079 1.174 7.219 173 HD13 LEU 20 HD13 LEU 20 1.493 0.251 8.603 174 HD21 LEU 20 HD21 LEU 20 0.481 1.579 5.249 175 HD22 LEU 20 HD22 LEU 20 -0.600 2.319 6.428 176 HD23 LEU 20 HD23 LEU 20 -1.181 1.009 5.402 177 H GLU 21 HN GLU 21 -0.170 -3.177 3.634 178 HA GLU 21 HA GLU 21 0.769 -5.533 5.049 179 HB2 GLU 21 HB2 GLU 21 -1.617 -5.530 3.186 180 HB3 GLU 21 HB1 GLU 21 -0.820 -6.975 3.782 181 HG2 GLU 21 HG2 GLU 21 -2.132 -4.933 5.556 182 HG3 GLU 21 HG1 GLU 21 -2.939 -6.376 4.948 183 H VAL 22 HN VAL 22 2.729 -5.387 4.059 184 HA VAL 22 HA VAL 22 2.758 -5.355 1.121 185 HB VAL 22 HB VAL 22 5.381 -5.077 1.896 186 HG11 VAL 22 HG11 VAL 22 3.420 -2.868 1.385 187 HG12 VAL 22 HG12 VAL 22 4.203 -3.843 0.141 188 HG13 VAL 22 HG13 VAL 22 5.169 -2.789 1.176 189 HG21 VAL 22 HG21 VAL 22 5.316 -3.244 3.581 190 HG22 VAL 22 HG22 VAL 22 4.804 -4.802 4.226 191 HG23 VAL 22 HG23 VAL 22 3.594 -3.577 3.813 192 H ILE 23 HN ILE 23 3.174 -7.136 0.103 193 HA ILE 23 HA ILE 23 4.021 -9.484 1.583 194 HB ILE 23 HB ILE 23 2.936 -9.373 -1.216 195 HG12 ILE 23 HG12 ILE 23 1.306 -8.397 0.338 196 HG13 ILE 23 HG11 ILE 23 0.743 -9.948 -0.276 197 HG21 ILE 23 HG21 ILE 23 3.132 -11.624 0.777 198 HG22 ILE 23 HG22 ILE 23 4.130 -11.415 -0.663 199 HG23 ILE 23 HG23 ILE 23 2.402 -11.735 -0.825 200 HD11 ILE 23 HD11 ILE 23 1.982 -9.446 2.421 201 HD12 ILE 23 HD12 ILE 23 1.441 -11.011 1.813 202 HD13 ILE 23 HD13 ILE 23 0.273 -9.718 2.087 203 H ASP 24 HN ASP 24 6.123 -9.159 1.647 204 HA ASP 24 HA ASP 24 7.897 -8.658 -0.454 205 HB2 ASP 24 HB2 ASP 24 8.662 -8.600 1.855 206 HB3 ASP 24 HB1 ASP 24 8.322 -10.318 2.040 207 H ILE 25 HN ILE 25 8.149 -9.748 -2.238 208 HA ILE 25 HA ILE 25 7.376 -12.567 -2.347 209 HB ILE 25 HB ILE 25 8.007 -10.642 -4.600 210 HG12 ILE 25 HG12 ILE 25 6.018 -9.948 -3.354 211 HG13 ILE 25 HG11 ILE 25 5.580 -10.540 -4.953 212 HG21 ILE 25 HG21 ILE 25 8.341 -12.973 -5.244 213 HG22 ILE 25 HG22 ILE 25 6.937 -12.283 -6.058 214 HG23 ILE 25 HG23 ILE 25 6.716 -13.366 -4.684 215 HD11 ILE 25 HD11 ILE 25 4.907 -12.674 -3.970 216 HD12 ILE 25 HD12 ILE 25 4.015 -11.317 -3.280 217 HD13 ILE 25 HD13 ILE 25 5.329 -12.063 -2.370 218 H SER 26 HN SER 26 10.154 -10.742 -1.919 219 HA SER 26 HA SER 26 11.837 -12.827 -3.087 220 HB2 SER 26 HB2 SER 26 13.224 -10.787 -4.023 221 HB3 SER 26 HB1 SER 26 11.858 -11.449 -4.925 222 HG SER 26 HG SER 26 10.616 -9.779 -4.313 223 H GLY 27 HN GLY 27 12.602 -9.546 -1.922 224 HA2 GLY 27 HA2 GLY 27 13.421 -10.042 0.625 225 HA3 GLY 27 HA1 GLY 27 14.766 -10.605 -0.353 226 H GLY 28 HN GLY 28 16.230 -9.159 -1.060 227 HA2 GLY 28 HA2 GLY 28 15.617 -6.304 -0.559 228 HA3 GLY 28 HA1 GLY 28 17.154 -7.027 -0.122 229 H CYS 29 HN CYS 29 17.261 -8.614 -2.537 230 HA CYS 29 HA CYS 29 18.331 -6.498 -4.274 231 HB2 CYS 29 HB2 CYS 29 19.931 -8.189 -3.367 232 HB3 CYS 29 HB1 CYS 29 19.043 -9.442 -4.228 233 HG CYS 29 HG CYS 29 20.758 -9.295 -6.142 234 H GLY 30 HN GLY 30 16.375 -9.362 -4.159 235 HA2 GLY 30 HA2 GLY 30 15.444 -9.090 -6.895 236 HA3 GLY 30 HA1 GLY 30 14.897 -10.263 -5.692 237 H SER 31 HN SER 31 15.020 -7.734 -3.965 238 HA SER 31 HA SER 31 12.651 -7.796 -2.928 239 HB2 SER 31 HB2 SER 31 12.987 -5.505 -2.168 240 HB3 SER 31 HB1 SER 31 14.489 -6.392 -2.175 241 HG SER 31 HG SER 31 15.209 -4.801 -3.319 242 H SER 32 HN SER 32 10.789 -7.917 -3.690 243 HA SER 32 HA SER 32 9.638 -5.685 -5.178 244 HB2 SER 32 HB2 SER 32 8.295 -7.675 -6.379 245 HB3 SER 32 HB1 SER 32 9.803 -7.038 -7.036 246 HG SER 32 HG SER 32 10.910 -8.734 -6.037 247 H PHE 33 HN PHE 33 8.032 -4.965 -3.962 248 HA PHE 33 HA PHE 33 6.799 -6.845 -2.057 249 HB2 PHE 33 HB2 PHE 33 7.175 -3.855 -1.800 250 HB3 PHE 33 HB1 PHE 33 6.466 -4.916 -0.585 251 HD1 PHE 33 HD1 PHE 33 7.889 -6.694 0.432 252 HD2 PHE 33 HD2 PHE 33 9.500 -3.559 -1.938 253 HE1 PHE 33 HE1 PHE 33 10.117 -7.134 1.365 254 HE2 PHE 33 HE2 PHE 33 11.732 -3.995 -1.009 255 HZ PHE 33 HZ PHE 33 12.041 -5.784 0.649 256 H GLU 34 HN GLU 34 4.616 -6.959 -1.897 257 HA GLU 34 HA GLU 34 3.081 -5.145 -3.639 258 HB2 GLU 34 HB2 GLU 34 2.134 -7.818 -2.610 259 HB3 GLU 34 HB1 GLU 34 1.419 -6.833 -3.877 260 HG2 GLU 34 HG2 GLU 34 3.580 -7.197 -5.160 261 HG3 GLU 34 HG1 GLU 34 3.930 -8.460 -3.979 262 H VAL 35 HN VAL 35 2.331 -3.551 -2.445 263 HA VAL 35 HA VAL 35 1.611 -3.941 0.332 264 HB VAL 35 HB VAL 35 3.005 -2.022 -0.257 265 HG11 VAL 35 HG11 VAL 35 0.633 -0.952 -1.767 266 HG12 VAL 35 HG12 VAL 35 2.077 -1.631 -2.518 267 HG13 VAL 35 HG13 VAL 35 2.194 -0.164 -1.544 268 HG21 VAL 35 HG21 VAL 35 0.260 -1.254 0.707 269 HG22 VAL 35 HG22 VAL 35 1.721 -0.286 0.905 270 HG23 VAL 35 HG23 VAL 35 1.588 -1.855 1.700 271 H GLU 36 HN GLU 36 -0.393 -4.007 1.128 272 HA GLU 36 HA GLU 36 -2.586 -2.873 -0.485 273 HB2 GLU 36 HB2 GLU 36 -2.857 -4.807 1.833 274 HB3 GLU 36 HB1 GLU 36 -4.130 -4.269 0.753 275 HG2 GLU 36 HG2 GLU 36 -2.926 -5.411 -1.106 276 HG3 GLU 36 HG1 GLU 36 -1.823 -6.068 0.099 277 H VAL 37 HN VAL 37 -2.835 -0.809 0.220 278 HA VAL 37 HA VAL 37 -2.550 -0.314 3.073 279 HB VAL 37 HB VAL 37 -2.331 2.121 2.138 280 HG11 VAL 37 HG11 VAL 37 0.128 1.861 2.142 281 HG12 VAL 37 HG12 VAL 37 -0.092 0.112 2.131 282 HG13 VAL 37 HG13 VAL 37 -0.649 1.061 3.506 283 HG21 VAL 37 HG21 VAL 37 -1.130 2.257 0.066 284 HG22 VAL 37 HG22 VAL 37 -2.699 1.485 -0.170 285 HG23 VAL 37 HG23 VAL 37 -1.231 0.508 -0.125 286 H VAL 38 HN VAL 38 -3.833 1.096 4.029 287 HA VAL 38 HA VAL 38 -6.136 2.227 2.637 288 HB VAL 38 HB VAL 38 -6.301 0.844 5.330 289 HG11 VAL 38 HG11 VAL 38 -8.434 2.234 3.727 290 HG12 VAL 38 HG12 VAL 38 -7.725 2.796 5.241 291 HG13 VAL 38 HG13 VAL 38 -8.698 1.324 5.215 292 HG21 VAL 38 HG21 VAL 38 -7.539 0.071 2.692 293 HG22 VAL 38 HG22 VAL 38 -7.815 -0.736 4.236 294 HG23 VAL 38 HG23 VAL 38 -6.213 -0.766 3.498 295 H SER 39 HN SER 39 -5.421 4.279 2.732 296 HA SER 39 HA SER 39 -4.815 5.388 5.368 297 HB2 SER 39 HB2 SER 39 -2.669 4.793 4.259 298 HB3 SER 39 HB1 SER 39 -3.116 5.814 2.894 299 HG SER 39 HG SER 39 -2.394 6.532 5.515 300 H GLU 40 HN GLU 40 -5.084 7.677 5.458 301 HA GLU 40 HA GLU 40 -7.450 8.506 4.168 302 HB2 GLU 40 HB2 GLU 40 -7.165 10.570 5.400 303 HB3 GLU 40 HB1 GLU 40 -6.776 9.191 6.418 304 HG2 GLU 40 HG2 GLU 40 -4.381 9.574 5.957 305 HG3 GLU 40 HG1 GLU 40 -4.829 11.031 5.070 306 H GLN 41 HN GLN 41 -4.626 8.256 2.705 307 HA GLN 41 HA GLN 41 -4.719 10.803 1.268 308 HB2 GLN 41 HB2 GLN 41 -2.752 8.561 1.433 309 HB3 GLN 41 HB1 GLN 41 -2.779 9.538 -0.028 310 HG2 GLN 41 HG2 GLN 41 -1.124 10.417 1.443 311 HG3 GLN 41 HG1 GLN 41 -2.461 11.556 1.358 312 HE21 GLN 41 HE21 GLN 41 -2.394 8.591 3.271 313 HE22 GLN 41 HE22 GLN 41 -2.420 9.372 4.808 314 H PHE 42 HN PHE 42 -6.387 8.187 1.346 315 HA PHE 42 HA PHE 42 -6.858 8.064 -1.555 316 HB2 PHE 42 HB2 PHE 42 -7.326 5.938 0.548 317 HB3 PHE 42 HB1 PHE 42 -7.655 5.759 -1.172 318 HD1 PHE 42 HD1 PHE 42 -5.045 7.236 -2.020 319 HD2 PHE 42 HD2 PHE 42 -5.867 4.060 0.697 320 HE1 PHE 42 HE1 PHE 42 -2.780 6.343 -2.370 321 HE2 PHE 42 HE2 PHE 42 -3.608 3.177 0.356 322 HZ PHE 42 HZ PHE 42 -2.062 4.317 -1.173 323 H GLU 43 HN GLU 43 -7.930 9.787 0.699 324 HA GLU 43 HA GLU 43 -10.551 8.674 1.296 325 HB2 GLU 43 HB2 GLU 43 -9.078 9.750 3.030 326 HB3 GLU 43 HB1 GLU 43 -9.369 11.286 2.233 327 HG2 GLU 43 HG2 GLU 43 -11.720 11.150 2.714 328 HG3 GLU 43 HG1 GLU 43 -11.518 9.536 3.399 329 H GLY 44 HN GLY 44 -12.217 9.026 0.009 330 HA2 GLY 44 HA2 GLY 44 -13.653 10.034 -1.464 331 HA3 GLY 44 HA1 GLY 44 -13.056 11.577 -0.863 332 H LYS 45 HN LYS 45 -10.905 9.239 -2.180 333 HA LYS 45 HA LYS 45 -10.172 11.134 -4.262 334 HB2 LYS 45 HB2 LYS 45 -8.721 9.039 -2.677 335 HB3 LYS 45 HB1 LYS 45 -8.022 9.802 -4.073 336 HG2 LYS 45 HG2 LYS 45 -8.937 11.190 -1.570 337 HG3 LYS 45 HG1 LYS 45 -7.258 10.840 -1.999 338 HD2 LYS 45 HD2 LYS 45 -7.441 12.301 -3.950 339 HD3 LYS 45 HD1 LYS 45 -9.129 12.628 -3.557 340 HE2 LYS 45 HE2 LYS 45 -6.797 13.266 -1.760 341 HE3 LYS 45 HE1 LYS 45 -7.569 14.423 -2.841 342 HZ1 LYS 45 HZ1 LYS 45 -9.614 14.190 -1.628 343 HZ2 LYS 45 HZ2 LYS 45 -8.376 14.565 -0.541 344 HZ3 LYS 45 HZ3 LYS 45 -8.956 12.980 -0.644 345 H ARG 46 HN ARG 46 -9.470 10.305 -6.290 346 HA ARG 46 HA ARG 46 -10.750 7.809 -7.053 347 HB2 ARG 46 HB2 ARG 46 -11.200 9.430 -8.615 348 HB3 ARG 46 HB1 ARG 46 -9.591 10.118 -8.571 349 HG2 ARG 46 HG2 ARG 46 -8.895 7.871 -9.640 350 HG3 ARG 46 HG1 ARG 46 -10.612 7.704 -10.006 351 HD2 ARG 46 HD2 ARG 46 -8.748 9.900 -10.884 352 HD3 ARG 46 HD1 ARG 46 -9.552 8.706 -11.899 353 HE ARG 46 HE ARG 46 -11.678 9.824 -11.257 354 HH11 ARG 46 HH11 ARG 46 -8.641 11.582 -11.058 355 HH12 ARG 46 HH12 ARG 46 -9.392 13.138 -11.245 356 HH21 ARG 46 HH21 ARG 46 -12.651 11.884 -11.520 357 HH22 ARG 46 HH22 ARG 46 -11.661 13.308 -11.519 358 H LEU 47 HN LEU 47 -9.681 6.119 -7.954 359 HA LEU 47 HA LEU 47 -7.504 5.138 -6.660 360 HB2 LEU 47 HB2 LEU 47 -8.691 4.505 -9.298 361 HB3 LEU 47 HB1 LEU 47 -7.121 3.814 -8.944 362 HG LEU 47 HG LEU 47 -8.939 2.258 -8.425 363 HD11 LEU 47 HD11 LEU 47 -8.250 1.663 -6.172 364 HD12 LEU 47 HD12 LEU 47 -7.528 3.256 -5.957 365 HD13 LEU 47 HD13 LEU 47 -6.861 2.140 -7.147 366 HD21 LEU 47 HD21 LEU 47 -10.452 2.697 -6.550 367 HD22 LEU 47 HD22 LEU 47 -10.687 3.846 -7.866 368 HD23 LEU 47 HD23 LEU 47 -9.808 4.333 -6.418 369 H LEU 48 HN LEU 48 -7.386 7.092 -9.538 370 HA LEU 48 HA LEU 48 -4.633 6.632 -10.127 371 HB2 LEU 48 HB2 LEU 48 -6.613 8.691 -11.082 372 HB3 LEU 48 HB1 LEU 48 -4.935 8.726 -11.579 373 HG LEU 48 HG LEU 48 -6.224 7.702 -13.318 374 HD11 LEU 48 HD11 LEU 48 -5.129 5.545 -13.525 375 HD12 LEU 48 HD12 LEU 48 -4.716 5.574 -11.812 376 HD13 LEU 48 HD13 LEU 48 -4.012 6.762 -12.907 377 HD21 LEU 48 HD21 LEU 48 -8.165 7.008 -12.020 378 HD22 LEU 48 HD22 LEU 48 -7.208 5.742 -11.249 379 HD23 LEU 48 HD23 LEU 48 -7.536 5.669 -12.980 380 H GLU 49 HN GLU 49 -6.419 9.328 -8.696 381 HA GLU 49 HA GLU 49 -4.182 10.921 -8.032 382 HB2 GLU 49 HB2 GLU 49 -6.535 10.982 -6.219 383 HB3 GLU 49 HB1 GLU 49 -5.675 12.310 -6.981 384 HG2 GLU 49 HG2 GLU 49 -7.664 10.494 -8.313 385 HG3 GLU 49 HG1 GLU 49 -7.967 12.143 -7.772 386 H ARG 50 HN ARG 50 -5.865 8.299 -6.533 387 HA ARG 50 HA ARG 50 -4.803 8.317 -3.958 388 HB2 ARG 50 HB2 ARG 50 -5.808 6.150 -5.800 389 HB3 ARG 50 HB1 ARG 50 -5.237 5.774 -4.163 390 HG2 ARG 50 HG2 ARG 50 -6.932 7.408 -3.312 391 HG3 ARG 50 HG1 ARG 50 -7.548 7.527 -4.958 392 HD2 ARG 50 HD2 ARG 50 -7.719 4.949 -4.825 393 HD3 ARG 50 HD1 ARG 50 -7.602 5.190 -3.085 394 HE ARG 50 HE ARG 50 -9.563 6.908 -4.144 395 HH11 ARG 50 HH11 ARG 50 -9.059 3.512 -3.404 396 HH12 ARG 50 HH12 ARG 50 -10.764 3.181 -3.295 397 HH21 ARG 50 HH21 ARG 50 -11.754 6.457 -4.004 398 HH22 ARG 50 HH22 ARG 50 -12.290 4.847 -3.631 399 H HIS 51 HN HIS 51 -3.700 6.583 -6.855 400 HA HIS 51 HA HIS 51 -1.417 5.480 -5.561 401 HB2 HIS 51 HB2 HIS 51 -1.994 5.813 -8.514 402 HB3 HIS 51 HB1 HIS 51 -0.681 4.849 -7.849 403 HD1 HIS 51 HD1 HIS 51 -3.203 3.833 -9.594 404 HD2 HIS 51 HD2 HIS 51 -2.633 3.390 -5.518 405 HE1 HIS 51 HE1 HIS 51 -4.614 1.881 -8.897 406 HE2 HIS 51 HE2 HIS 51 -4.101 1.520 -6.482 407 H ARG 52 HN ARG 52 -1.954 8.284 -7.590 408 HA ARG 52 HA ARG 52 0.730 9.056 -7.919 409 HB2 ARG 52 HB2 ARG 52 -1.329 9.881 -9.159 410 HB3 ARG 52 HB1 ARG 52 -1.644 10.907 -7.769 411 HG2 ARG 52 HG2 ARG 52 0.486 12.040 -8.111 412 HG3 ARG 52 HG1 ARG 52 0.820 10.998 -9.498 413 HD2 ARG 52 HD2 ARG 52 -1.363 13.044 -9.202 414 HD3 ARG 52 HD1 ARG 52 -0.041 13.031 -10.366 415 HE ARG 52 HE ARG 52 -1.125 10.999 -11.315 416 HH11 ARG 52 HH11 ARG 52 -3.011 13.332 -9.510 417 HH12 ARG 52 HH12 ARG 52 -4.514 12.892 -10.258 418 HH21 ARG 52 HH21 ARG 52 -3.096 10.408 -12.297 419 HH22 ARG 52 HH22 ARG 52 -4.558 11.230 -11.854 420 H MET 53 HN MET 53 -1.319 9.135 -5.192 421 HA MET 53 HA MET 53 0.125 11.378 -4.005 422 HB2 MET 53 HB2 MET 53 -2.497 10.764 -3.884 423 HB3 MET 53 HB1 MET 53 -1.944 9.896 -2.461 424 HG2 MET 53 HG2 MET 53 -1.559 12.832 -2.990 425 HG3 MET 53 HG1 MET 53 -2.756 12.124 -1.910 426 HE1 MET 53 HE1 MET 53 -1.934 13.691 0.058 427 HE2 MET 53 HE2 MET 53 -0.759 14.413 -1.041 428 HE3 MET 53 HE3 MET 53 -0.246 13.839 0.544 429 H VAL 54 HN VAL 54 -0.503 7.961 -3.586 430 HA VAL 54 HA VAL 54 0.995 7.650 -1.205 431 HB VAL 54 HB VAL 54 -0.679 6.082 -2.656 432 HG11 VAL 54 HG11 VAL 54 1.063 5.421 -4.232 433 HG12 VAL 54 HG12 VAL 54 0.430 4.050 -3.321 434 HG13 VAL 54 HG13 VAL 54 1.994 4.743 -2.896 435 HG21 VAL 54 HG21 VAL 54 -0.135 4.306 -0.964 436 HG22 VAL 54 HG22 VAL 54 -0.453 5.905 -0.292 437 HG23 VAL 54 HG23 VAL 54 1.205 5.324 -0.442 438 H ASN 55 HN ASN 55 1.737 7.312 -4.625 439 HA ASN 55 HA ASN 55 4.377 6.343 -4.081 440 HB2 ASN 55 HB2 ASN 55 4.722 6.162 -6.334 441 HB3 ASN 55 HB1 ASN 55 2.975 5.986 -6.265 442 HD21 ASN 55 HD21 ASN 55 2.362 8.698 -5.854 443 HD22 ASN 55 HD22 ASN 55 2.815 9.605 -7.256 444 H ALA 56 HN ALA 56 2.897 9.396 -4.173 445 HA ALA 56 HA ALA 56 5.119 10.994 -4.796 446 HB1 ALA 56 HB1 ALA 56 2.984 11.555 -2.733 447 HB2 ALA 56 HB2 ALA 56 2.869 11.926 -4.452 448 HB3 ALA 56 HB3 ALA 56 4.070 12.744 -3.453 449 H ALA 57 HN ALA 57 4.058 9.467 -1.836 450 HA ALA 57 HA ALA 57 6.353 10.454 -0.338 451 HB1 ALA 57 HB1 ALA 57 4.208 10.600 0.742 452 HB2 ALA 57 HB2 ALA 57 5.173 9.379 1.576 453 HB3 ALA 57 HB3 ALA 57 3.902 8.887 0.451 454 H LEU 58 HN LEU 58 5.842 8.018 -2.409 455 HA LEU 58 HA LEU 58 7.419 6.058 -0.903 456 HB2 LEU 58 HB2 LEU 58 4.770 5.772 -2.189 457 HB3 LEU 58 HB1 LEU 58 5.899 4.471 -2.435 458 HG LEU 58 HG LEU 58 4.446 3.907 -0.607 459 HD11 LEU 58 HD11 LEU 58 6.785 3.226 -0.391 460 HD12 LEU 58 HD12 LEU 58 6.023 3.504 1.174 461 HD13 LEU 58 HD13 LEU 58 7.124 4.707 0.505 462 HD21 LEU 58 HD21 LEU 58 4.392 5.281 1.455 463 HD22 LEU 58 HD22 LEU 58 3.669 6.072 0.053 464 HD23 LEU 58 HD23 LEU 58 5.282 6.537 0.594 465 H GLU 59 HN GLU 59 7.379 8.032 -3.425 466 HA GLU 59 HA GLU 59 8.096 6.322 -5.604 467 HB2 GLU 59 HB2 GLU 59 7.229 8.631 -5.975 468 HB3 GLU 59 HB1 GLU 59 8.709 9.271 -5.242 469 HG2 GLU 59 HG2 GLU 59 9.953 7.979 -7.069 470 HG3 GLU 59 HG1 GLU 59 8.379 7.845 -7.853 471 H GLU 60 HN GLU 60 9.753 7.969 -3.073 472 HA GLU 60 HA GLU 60 12.388 7.538 -4.100 473 HB2 GLU 60 HB2 GLU 60 12.864 8.188 -1.562 474 HB3 GLU 60 HB1 GLU 60 12.406 9.378 -2.764 475 HG2 GLU 60 HG2 GLU 60 11.152 9.856 -0.826 476 HG3 GLU 60 HG1 GLU 60 10.033 9.150 -1.992 477 H GLU 61 HN GLU 61 10.160 6.033 -1.942 478 HA GLU 61 HA GLU 61 11.787 4.016 -0.877 479 HB2 GLU 61 HB2 GLU 61 9.373 4.782 -0.299 480 HB3 GLU 61 HB1 GLU 61 8.886 3.673 -1.570 481 HG2 GLU 61 HG2 GLU 61 8.672 2.498 0.461 482 HG3 GLU 61 HG1 GLU 61 10.104 1.859 -0.345 483 H MET 62 HN MET 62 9.746 4.231 -3.740 484 HA MET 62 HA MET 62 10.129 1.576 -4.622 485 HB2 MET 62 HB2 MET 62 8.261 2.980 -5.389 486 HB3 MET 62 HB1 MET 62 9.394 4.031 -6.225 487 HG2 MET 62 HG2 MET 62 9.961 2.319 -7.775 488 HG3 MET 62 HG1 MET 62 9.082 1.106 -6.847 489 HE1 MET 62 HE1 MET 62 7.826 4.777 -7.526 490 HE2 MET 62 HE2 MET 62 6.975 4.577 -9.058 491 HE3 MET 62 HE3 MET 62 8.728 4.395 -8.993 492 H LYS 63 HN LYS 63 11.913 4.527 -5.054 493 HA LYS 63 HA LYS 63 13.627 3.516 -7.105 494 HB2 LYS 63 HB2 LYS 63 13.671 5.945 -5.352 495 HB3 LYS 63 HB1 LYS 63 15.066 5.536 -6.336 496 HG2 LYS 63 HG2 LYS 63 13.560 5.555 -8.332 497 HG3 LYS 63 HG1 LYS 63 12.285 6.182 -7.281 498 HD2 LYS 63 HD2 LYS 63 13.571 8.139 -6.783 499 HD3 LYS 63 HD1 LYS 63 14.981 7.489 -7.617 500 HE2 LYS 63 HE2 LYS 63 13.979 9.093 -9.059 501 HE3 LYS 63 HE1 LYS 63 13.631 7.500 -9.721 502 HZ1 LYS 63 HZ1 LYS 63 11.423 7.623 -8.731 503 HZ2 LYS 63 HZ2 LYS 63 11.689 8.909 -9.796 504 HZ3 LYS 63 HZ3 LYS 63 11.759 9.170 -8.126 505 H GLU 64 HN GLU 64 13.421 2.802 -3.824 506 HA GLU 64 HA GLU 64 16.333 2.343 -3.657 507 HB2 GLU 64 HB2 GLU 64 15.187 3.756 -1.876 508 HB3 GLU 64 HB1 GLU 64 14.398 2.278 -1.343 509 HG2 GLU 64 HG2 GLU 64 16.444 1.298 -0.701 510 HG3 GLU 64 HG1 GLU 64 17.382 2.528 -1.547 511 H ILE 65 HN ILE 65 13.242 0.906 -3.719 512 HA ILE 65 HA ILE 65 14.335 -1.789 -3.351 513 HB ILE 65 HB ILE 65 11.901 -2.425 -3.562 514 HG12 ILE 65 HG12 ILE 65 11.648 0.576 -3.544 515 HG13 ILE 65 HG11 ILE 65 11.182 -0.506 -4.843 516 HG21 ILE 65 HG21 ILE 65 12.916 -2.205 -1.365 517 HG22 ILE 65 HG22 ILE 65 11.268 -1.580 -1.327 518 HG23 ILE 65 HG23 ILE 65 12.633 -0.465 -1.383 519 HD11 ILE 65 HD11 ILE 65 9.252 0.245 -3.661 520 HD12 ILE 65 HD12 ILE 65 9.949 -0.270 -2.131 521 HD13 ILE 65 HD13 ILE 65 9.483 -1.472 -3.335 522 H HIS 66 HN HIS 66 12.690 -3.186 -5.077 523 HA HIS 66 HA HIS 66 13.545 -2.109 -7.675 524 HB2 HIS 66 HB2 HIS 66 13.365 -4.945 -6.702 525 HB3 HIS 66 HB1 HIS 66 13.479 -4.549 -8.412 526 HD1 HIS 66 HD1 HIS 66 15.612 -2.921 -8.988 527 HD2 HIS 66 HD2 HIS 66 15.773 -5.154 -5.521 528 HE1 HIS 66 HE1 HIS 66 17.997 -2.884 -8.265 529 HE2 HIS 66 HE2 HIS 66 18.055 -4.093 -6.075 530 H ALA 67 HN ALA 67 10.804 -2.996 -5.838 531 HA ALA 67 HA ALA 67 9.012 -2.230 -7.877 532 HB1 ALA 67 HB1 ALA 67 7.872 -4.333 -8.279 533 HB2 ALA 67 HB2 ALA 67 9.015 -5.176 -7.236 534 HB3 ALA 67 HB3 ALA 67 9.566 -4.463 -8.751 535 H LEU 68 HN LEU 68 7.234 -1.498 -6.960 536 HA LEU 68 HA LEU 68 6.287 -2.686 -4.450 537 HB2 LEU 68 HB2 LEU 68 7.353 -0.106 -4.721 538 HB3 LEU 68 HB1 LEU 68 5.616 0.119 -4.666 539 HG LEU 68 HG LEU 68 7.315 -1.231 -2.568 540 HD11 LEU 68 HD11 LEU 68 7.486 1.193 -2.558 541 HD12 LEU 68 HD12 LEU 68 6.577 0.629 -1.156 542 HD13 LEU 68 HD13 LEU 68 5.728 1.332 -2.532 543 HD21 LEU 68 HD21 LEU 68 5.245 -1.421 -1.269 544 HD22 LEU 68 HD22 LEU 68 5.176 -2.371 -2.753 545 HD23 LEU 68 HD23 LEU 68 4.328 -0.829 -2.654 546 H SER 69 HN SER 69 4.457 -3.667 -5.064 547 HA SER 69 HA SER 69 2.742 -2.371 -7.061 548 HB2 SER 69 HB2 SER 69 2.617 -5.203 -5.994 549 HB3 SER 69 HB1 SER 69 1.724 -4.556 -7.372 550 HG SER 69 HG SER 69 4.327 -5.435 -7.203 551 H ILE 70 HN ILE 70 1.247 -1.087 -6.152 552 HA ILE 70 HA ILE 70 0.234 -1.652 -3.520 553 HB ILE 70 HB ILE 70 0.762 0.653 -4.068 554 HG12 ILE 70 HG12 ILE 70 -2.240 0.403 -3.807 555 HG13 ILE 70 HG11 ILE 70 -1.112 0.122 -2.486 556 HG21 ILE 70 HG21 ILE 70 0.352 0.617 -6.457 557 HG22 ILE 70 HG22 ILE 70 -0.517 1.945 -5.691 558 HG23 ILE 70 HG23 ILE 70 -1.383 0.485 -6.172 559 HD11 ILE 70 HD11 ILE 70 -2.110 2.358 -2.443 560 HD12 ILE 70 HD12 ILE 70 -1.378 2.698 -4.010 561 HD13 ILE 70 HD13 ILE 70 -0.356 2.401 -2.605 562 H LYS 71 HN LYS 71 -0.907 -3.436 -3.646 563 HA LYS 71 HA LYS 71 -2.678 -4.075 -5.770 564 HB2 LYS 71 HB2 LYS 71 -2.976 -5.287 -3.047 565 HB3 LYS 71 HB1 LYS 71 -3.137 -6.049 -4.620 566 HG2 LYS 71 HG2 LYS 71 -0.760 -6.075 -4.917 567 HG3 LYS 71 HG1 LYS 71 -0.528 -5.133 -3.442 568 HD2 LYS 71 HD2 LYS 71 -0.069 -7.431 -2.930 569 HD3 LYS 71 HD1 LYS 71 -1.596 -6.996 -2.170 570 HE2 LYS 71 HE2 LYS 71 -1.794 -9.172 -3.177 571 HE3 LYS 71 HE1 LYS 71 -2.794 -8.025 -4.062 572 HZ1 LYS 71 HZ1 LYS 71 -1.041 -7.868 -5.733 573 HZ2 LYS 71 HZ2 LYS 71 -1.596 -9.454 -5.570 574 HZ3 LYS 71 HZ3 LYS 71 -0.114 -9.005 -4.886 575 H LYS 72 HN LYS 72 -2.955 -2.330 -2.822 576 HA LYS 72 HA LYS 72 -5.793 -1.894 -3.289 577 HB2 LYS 72 HB2 LYS 72 -4.596 -3.111 -0.866 578 HB3 LYS 72 HB1 LYS 72 -5.878 -1.933 -0.629 579 HG2 LYS 72 HG2 LYS 72 -7.280 -3.262 -2.187 580 HG3 LYS 72 HG1 LYS 72 -6.020 -4.500 -2.178 581 HD2 LYS 72 HD2 LYS 72 -6.238 -4.630 0.292 582 HD3 LYS 72 HD1 LYS 72 -7.587 -3.497 0.198 583 HE2 LYS 72 HE2 LYS 72 -8.398 -5.785 0.335 584 HE3 LYS 72 HE1 LYS 72 -8.803 -5.073 -1.225 585 HZ1 LYS 72 HZ1 LYS 72 -7.937 -7.379 -1.339 586 HZ2 LYS 72 HZ2 LYS 72 -6.435 -6.808 -0.782 587 HZ3 LYS 72 HZ3 LYS 72 -7.057 -6.266 -2.260 588 H ALA 73 HN ALA 73 -6.196 0.094 -3.344 589 HA ALA 73 HA ALA 73 -4.911 1.892 -1.409 590 HB1 ALA 73 HB1 ALA 73 -4.825 3.677 -3.076 591 HB2 ALA 73 HB2 ALA 73 -5.478 2.586 -4.297 592 HB3 ALA 73 HB3 ALA 73 -3.882 2.287 -3.612 593 H GLN 74 HN GLN 74 -6.683 1.878 -0.078 594 HA GLN 74 HA GLN 74 -9.026 3.315 -1.076 595 HB2 GLN 74 HB2 GLN 74 -9.206 0.649 0.341 596 HB3 GLN 74 HB1 GLN 74 -10.572 1.699 -0.004 597 HG2 GLN 74 HG2 GLN 74 -10.102 1.456 -2.414 598 HG3 GLN 74 HG1 GLN 74 -8.806 0.330 -2.019 599 HE21 GLN 74 HE21 GLN 74 -9.744 -1.357 -3.102 600 HE22 GLN 74 HE22 GLN 74 -11.161 -2.168 -2.530 601 H THR 75 HN THR 75 -10.423 4.062 0.638 602 HA THR 75 HA THR 75 -9.115 4.351 3.233 603 HB THR 75 HB THR 75 -11.030 6.265 3.222 604 HG1 THR 75 HG1 THR 75 -9.971 6.852 0.769 605 HG21 THR 75 HG21 THR 75 -8.197 6.536 2.240 606 HG22 THR 75 HG22 THR 75 -8.718 6.566 3.922 607 HG23 THR 75 HG23 THR 75 -9.212 7.851 2.823 608 HA PRO 76 HA PRO 76 -12.098 2.049 5.299 609 HB2 PRO 76 HB2 PRO 76 -12.685 3.638 7.475 610 HB3 PRO 76 HB1 PRO 76 -11.279 2.580 7.336 611 HG2 PRO 76 HG2 PRO 76 -11.493 5.520 6.880 612 HG3 PRO 76 HG1 PRO 76 -10.189 4.591 7.641 613 HD2 PRO 76 HD2 PRO 76 -9.981 5.508 5.130 614 HD3 PRO 76 HD1 PRO 76 -9.291 3.946 5.608 615 H GLN 77 HN GLN 77 -13.020 5.151 4.127 616 HA GLN 77 HA GLN 77 -15.772 4.866 4.990 617 HB2 GLN 77 HB2 GLN 77 -16.058 7.010 4.429 618 HB3 GLN 77 HB1 GLN 77 -14.320 7.042 4.208 619 HG2 GLN 77 HG2 GLN 77 -15.902 6.214 1.868 620 HG3 GLN 77 HG1 GLN 77 -16.047 7.906 2.361 621 HE21 GLN 77 HE21 GLN 77 -13.340 5.795 2.710 622 HE22 GLN 77 HE22 GLN 77 -12.302 6.605 1.585 623 H GLN 78 HN GLN 78 -13.965 4.054 2.092 624 HA GLN 78 HA GLN 78 -16.428 3.067 0.832 625 HB2 GLN 78 HB2 GLN 78 -13.615 2.927 -0.215 626 HB3 GLN 78 HB1 GLN 78 -15.092 2.661 -1.133 627 HG2 GLN 78 HG2 GLN 78 -15.078 4.800 -1.718 628 HG3 GLN 78 HG1 GLN 78 -15.212 5.260 -0.013 629 HE21 GLN 78 HE21 GLN 78 -12.788 4.034 0.740 630 HE22 GLN 78 HE22 GLN 78 -11.526 5.085 0.202 631 H TRP 79 HN TRP 79 -13.632 2.197 2.563 632 HA TRP 79 HA TRP 79 -13.735 -0.623 2.200 633 HB2 TRP 79 HB2 TRP 79 -12.136 1.281 3.564 634 HB3 TRP 79 HB1 TRP 79 -12.726 0.153 4.778 635 HD1 TRP 79 HD1 TRP 79 -11.310 -0.380 1.194 636 HE1 TRP 79 HE1 TRP 79 -9.482 -2.182 1.348 637 HE3 TRP 79 HE3 TRP 79 -11.466 -1.242 6.218 638 HZ2 TRP 79 HZ2 TRP 79 -8.253 -3.777 3.368 639 HZ3 TRP 79 HZ3 TRP 79 -9.942 -2.910 7.185 640 HH2 TRP 79 HH2 TRP 79 -8.372 -4.145 5.787 641 H LYS 80 HN LYS 80 -15.698 1.659 3.685 642 HA LYS 80 HA LYS 80 -16.632 0.349 5.976 643 HB2 LYS 80 HB2 LYS 80 -17.846 2.360 4.142 644 HB3 LYS 80 HB1 LYS 80 -18.885 1.574 5.323 645 HG2 LYS 80 HG2 LYS 80 -16.389 3.144 5.925 646 HG3 LYS 80 HG1 LYS 80 -18.046 3.703 6.144 647 HD2 LYS 80 HD2 LYS 80 -18.424 1.937 7.797 648 HD3 LYS 80 HD1 LYS 80 -16.771 1.364 7.570 649 HE2 LYS 80 HE2 LYS 80 -15.938 3.561 8.319 650 HE3 LYS 80 HE1 LYS 80 -17.600 4.070 8.613 651 HZ1 LYS 80 HZ1 LYS 80 -16.616 3.355 10.656 652 HZ2 LYS 80 HZ2 LYS 80 -16.147 1.876 9.989 653 HZ3 LYS 80 HZ3 LYS 80 -17.789 2.221 10.212 654 HA PRO 81 HA PRO 81 -19.889 -2.109 3.373 655 HB2 PRO 81 HB2 PRO 81 -19.434 -2.162 0.665 656 HB3 PRO 81 HB1 PRO 81 -20.613 -1.103 1.443 657 HG2 PRO 81 HG2 PRO 81 -17.844 -0.493 0.506 658 HG3 PRO 81 HG1 PRO 81 -19.310 0.499 0.399 659 HD2 PRO 81 HD2 PRO 81 -17.407 0.945 2.257 660 HD3 PRO 81 HD1 PRO 81 -19.129 1.227 2.581 661 HA PRO 82 HA PRO 82 -16.589 -5.073 3.932 662 HB2 PRO 82 HB2 PRO 82 -18.806 -6.910 3.132 663 HB3 PRO 82 HB1 PRO 82 -17.682 -7.032 4.491 664 HG2 PRO 82 HG2 PRO 82 -20.177 -6.226 4.892 665 HG3 PRO 82 HG1 PRO 82 -18.831 -5.456 5.754 666 HD2 PRO 82 HD2 PRO 82 -20.435 -4.445 3.454 667 HD3 PRO 82 HD1 PRO 82 -19.715 -3.555 4.810 668 H SER 83 HN SER 83 -15.105 -5.185 2.384 669 HA SER 83 HA SER 83 -15.395 -6.823 0.107 670 HB2 SER 83 HB2 SER 83 -15.105 -4.979 -1.588 671 HB3 SER 83 HB1 SER 83 -16.672 -4.990 -0.780 672 HG SER 83 HG SER 83 -15.916 -3.344 0.602 673 H GLN 84 HN GLN 84 -13.632 -6.641 2.254 674 HA GLN 84 HA GLN 84 -11.245 -5.277 1.267 675 HB2 GLN 84 HB2 GLN 84 -10.368 -5.501 3.514 676 HB3 GLN 84 HB1 GLN 84 -11.986 -4.829 3.584 677 HG2 GLN 84 HG2 GLN 84 -12.829 -7.125 4.096 678 HG3 GLN 84 HG1 GLN 84 -11.152 -7.642 4.224 679 HE21 GLN 84 HE21 GLN 84 -12.399 -4.536 5.285 680 HE22 GLN 84 HE22 GLN 84 -12.141 -4.798 6.961 681 H ASP 85 HN ASP 85 -12.438 -8.414 2.307 682 HA ASP 85 HA ASP 85 -10.108 -9.613 1.015 683 HB2 ASP 85 HB2 ASP 85 -10.383 -10.227 3.394 684 HB3 ASP 85 HB1 ASP 85 -11.971 -10.884 3.018 685 H SER 86 HN SER 86 -13.449 -9.205 0.903 686 HA SER 86 HA SER 86 -14.327 -11.434 -0.527 687 HB2 SER 86 HB2 SER 86 -15.861 -9.788 0.479 688 HB3 SER 86 HB1 SER 86 -15.325 -8.577 -0.682 689 HG SER 86 HG SER 86 -16.916 -9.312 -1.837 690 H ALA 87 HN ALA 87 -13.302 -8.255 -1.757 691 HA ALA 87 HA ALA 87 -13.286 -9.171 -4.476 692 HB1 ALA 87 HB1 ALA 87 -13.853 -6.856 -3.943 693 HB2 ALA 87 HB2 ALA 87 -12.449 -6.937 -5.006 694 HB3 ALA 87 HB3 ALA 87 -12.237 -6.608 -3.287 695 H THR 88 HN THR 88 -11.495 -10.367 -2.350 696 HA THR 88 HA THR 88 -9.116 -10.447 -4.036 697 HB THR 88 HB THR 88 -8.768 -10.274 -1.054 698 HG1 THR 88 HG1 THR 88 -9.554 -8.293 -2.771 699 HG21 THR 88 HG21 THR 88 -6.986 -9.595 -3.402 700 HG22 THR 88 HG22 THR 88 -6.865 -11.035 -2.392 701 HG23 THR 88 HG23 THR 88 -6.539 -9.445 -1.703 702 H LEU 89 HN LEU 89 -11.428 -12.165 -3.410 703 HA LEU 89 HA LEU 89 -10.023 -14.631 -3.077 704 HB2 LEU 89 HB2 LEU 89 -10.289 -13.818 -0.713 705 HB3 LEU 89 HB1 LEU 89 -12.024 -13.917 -0.936 706 HG LEU 89 HG LEU 89 -11.726 -16.370 -1.428 707 HD11 LEU 89 HD11 LEU 89 -9.376 -16.355 -2.010 708 HD12 LEU 89 HD12 LEU 89 -9.659 -17.419 -0.632 709 HD13 LEU 89 HD13 LEU 89 -8.955 -15.821 -0.383 710 HD21 LEU 89 HD21 LEU 89 -12.569 -15.702 0.697 711 HD22 LEU 89 HD22 LEU 89 -10.960 -15.266 1.260 712 HD23 LEU 89 HD23 LEU 89 -11.363 -16.956 0.970 713 H THR 90 HN THR 90 -12.938 -12.793 -3.510 714 HA THR 90 HA THR 90 -14.465 -15.183 -4.222 715 HB THR 90 HB THR 90 -15.448 -12.329 -4.325 716 HG1 THR 90 HG1 THR 90 -14.957 -14.011 -2.148 717 HG21 THR 90 HG21 THR 90 -16.919 -14.931 -3.883 718 HG22 THR 90 HG22 THR 90 -16.836 -14.069 -5.419 719 HG23 THR 90 HG23 THR 90 -17.638 -13.328 -4.034 720 H LYS 91 HN LYS 91 -12.335 -13.215 -5.724 721 HA LYS 91 HA LYS 91 -11.593 -13.210 -7.863 722 HB2 LYS 91 HB2 LYS 91 -14.055 -14.878 -8.363 723 HB3 LYS 91 HB1 LYS 91 -13.100 -14.247 -9.695 724 HG2 LYS 91 HG2 LYS 91 -12.402 -16.492 -9.267 725 HG3 LYS 91 HG1 LYS 91 -11.112 -15.407 -8.750 726 HD2 LYS 91 HD2 LYS 91 -12.016 -15.591 -6.418 727 HD3 LYS 91 HD1 LYS 91 -13.113 -16.837 -7.007 728 HE2 LYS 91 HE2 LYS 91 -10.099 -16.934 -7.080 729 HE3 LYS 91 HE1 LYS 91 -11.140 -17.824 -5.972 730 HZ1 LYS 91 HZ1 LYS 91 -12.100 -18.960 -7.910 731 HZ2 LYS 91 HZ2 LYS 91 -10.442 -19.248 -7.747 732 HZ3 LYS 91 HZ3 LYS 91 -10.997 -18.162 -8.916 733 H ASP 92 HN ASP 92 -12.883 -11.370 -6.444 734 HA ASP 92 HA ASP 92 -13.478 -9.182 -6.657 735 HB2 ASP 92 HB2 ASP 92 -13.549 -9.819 -9.603 736 HB3 ASP 92 HB1 ASP 92 -13.993 -8.238 -8.970 737 H ALA 93 HN ALA 93 -15.380 -11.756 -7.106 738 HA ALA 93 HA ALA 93 -17.595 -12.179 -6.910 739 HB1 ALA 93 HB1 ALA 93 -18.902 -10.634 -5.536 740 HB2 ALA 93 HB2 ALA 93 -17.627 -9.423 -5.689 741 HB3 ALA 93 HB3 ALA 93 -17.309 -10.936 -4.841 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 21.317 -3.211 -1.187 2 H2 MET 1 HT2 MET 1 20.909 -2.508 0.293 3 H3 MET 1 HT3 MET 1 20.212 -1.933 -1.133 4 HA MET 1 HA MET 1 19.083 -4.024 -1.473 5 HB2 MET 1 HB2 MET 1 19.101 -5.735 0.222 6 HB3 MET 1 HB1 MET 1 20.765 -5.396 -0.227 7 HG2 MET 1 HG2 MET 1 21.150 -4.182 1.767 8 HG3 MET 1 HG1 MET 1 19.435 -4.167 2.168 9 HE1 MET 1 HE1 MET 1 18.752 -7.882 3.125 10 HE2 MET 1 HE2 MET 1 18.553 -7.171 1.524 11 HE3 MET 1 HE3 MET 1 18.076 -6.262 2.958 12 H VAL 2 HN VAL 2 17.114 -4.678 -0.069 13 HA VAL 2 HA VAL 2 16.396 -2.618 1.853 14 HB VAL 2 HB VAL 2 15.577 -1.760 -0.296 15 HG11 VAL 2 HG11 VAL 2 15.272 -3.765 -1.549 16 HG12 VAL 2 HG12 VAL 2 13.718 -2.943 -1.440 17 HG13 VAL 2 HG13 VAL 2 14.046 -4.344 -0.423 18 HG21 VAL 2 HG21 VAL 2 14.346 -1.330 1.805 19 HG22 VAL 2 HG22 VAL 2 13.308 -2.709 1.444 20 HG23 VAL 2 HG23 VAL 2 13.314 -1.305 0.379 21 H THR 3 HN THR 3 15.106 -3.341 3.442 22 HA THR 3 HA THR 3 14.245 -6.148 3.308 23 HB THR 3 HB THR 3 14.597 -4.539 5.831 24 HG1 THR 3 HG1 THR 3 16.618 -6.296 5.033 25 HG21 THR 3 HG21 THR 3 14.894 -6.740 6.845 26 HG22 THR 3 HG22 THR 3 14.739 -7.503 5.264 27 HG23 THR 3 HG23 THR 3 13.363 -6.663 5.975 28 H LYS 4 HN LYS 4 12.163 -6.674 4.040 29 HA LYS 4 HA LYS 4 10.140 -4.728 3.637 30 HB2 LYS 4 HB2 LYS 4 9.320 -6.818 3.159 31 HB3 LYS 4 HB1 LYS 4 10.238 -7.593 4.438 32 HG2 LYS 4 HG2 LYS 4 8.660 -6.822 6.090 33 HG3 LYS 4 HG1 LYS 4 7.775 -5.905 4.874 34 HD2 LYS 4 HD2 LYS 4 6.996 -7.871 3.831 35 HD3 LYS 4 HD1 LYS 4 8.186 -8.878 4.656 36 HE2 LYS 4 HE2 LYS 4 6.066 -9.268 5.681 37 HE3 LYS 4 HE1 LYS 4 7.045 -8.336 6.810 38 HZ1 LYS 4 HZ1 LYS 4 4.944 -7.217 5.031 39 HZ2 LYS 4 HZ2 LYS 4 5.848 -6.343 6.169 40 HZ3 LYS 4 HZ3 LYS 4 4.764 -7.533 6.681 41 H GLU 5 HN GLU 5 12.146 -5.478 6.199 42 HA GLU 5 HA GLU 5 10.325 -4.999 8.345 43 HB2 GLU 5 HB2 GLU 5 13.298 -5.358 8.178 44 HB3 GLU 5 HB1 GLU 5 12.492 -4.996 9.705 45 HG2 GLU 5 HG2 GLU 5 11.109 -7.035 9.380 46 HG3 GLU 5 HG1 GLU 5 12.065 -7.400 7.945 47 H GLN 6 HN GLN 6 12.635 -3.133 6.564 48 HA GLN 6 HA GLN 6 12.223 -0.806 8.213 49 HB2 GLN 6 HB2 GLN 6 13.569 0.378 6.524 50 HB3 GLN 6 HB1 GLN 6 14.386 -1.046 7.143 51 HG2 GLN 6 HG2 GLN 6 14.781 -1.531 5.015 52 HG3 GLN 6 HG1 GLN 6 13.086 -2.018 4.939 53 HE21 GLN 6 HE21 GLN 6 11.577 -0.576 4.025 54 HE22 GLN 6 HE22 GLN 6 12.066 0.720 2.977 55 H VAL 7 HN VAL 7 10.796 -2.331 5.504 56 HA VAL 7 HA VAL 7 9.471 -0.050 4.368 57 HB VAL 7 HB VAL 7 8.942 -3.028 4.146 58 HG11 VAL 7 HG11 VAL 7 6.879 -1.788 3.792 59 HG12 VAL 7 HG12 VAL 7 7.455 -2.526 2.297 60 HG13 VAL 7 HG13 VAL 7 7.680 -0.799 2.571 61 HG21 VAL 7 HG21 VAL 7 10.189 -1.073 2.218 62 HG22 VAL 7 HG22 VAL 7 9.843 -2.767 1.872 63 HG23 VAL 7 HG23 VAL 7 11.024 -2.346 3.111 64 H GLU 8 HN GLU 8 8.867 -2.501 6.659 65 HA GLU 8 HA GLU 8 6.222 -2.254 7.348 66 HB2 GLU 8 HB2 GLU 8 8.762 -3.002 8.705 67 HB3 GLU 8 HB1 GLU 8 7.292 -2.888 9.674 68 HG2 GLU 8 HG2 GLU 8 7.768 -4.681 7.297 69 HG3 GLU 8 HG1 GLU 8 7.714 -5.176 8.986 70 H ALA 9 HN ALA 9 9.058 -0.582 8.674 71 HA ALA 9 HA ALA 9 7.441 0.945 10.509 72 HB1 ALA 9 HB1 ALA 9 9.672 0.193 11.167 73 HB2 ALA 9 HB2 ALA 9 9.568 1.953 11.189 74 HB3 ALA 9 HB3 ALA 9 10.383 1.135 9.856 75 H SER 10 HN SER 10 8.797 1.248 7.360 76 HA SER 10 HA SER 10 8.830 4.145 7.363 77 HB2 SER 10 HB2 SER 10 9.064 2.168 5.086 78 HB3 SER 10 HB1 SER 10 9.226 3.915 4.896 79 HG SER 10 HG SER 10 10.867 2.149 6.387 80 H LEU 11 HN LEU 11 6.734 1.699 5.894 81 HA LEU 11 HA LEU 11 4.954 3.573 4.726 82 HB2 LEU 11 HB2 LEU 11 4.859 0.635 5.291 83 HB3 LEU 11 HB1 LEU 11 3.421 1.463 4.739 84 HG LEU 11 HG LEU 11 4.718 0.305 2.939 85 HD11 LEU 11 HD11 LEU 11 4.607 2.193 1.363 86 HD12 LEU 11 HD12 LEU 11 4.368 3.283 2.727 87 HD13 LEU 11 HD13 LEU 11 3.168 2.041 2.369 88 HD21 LEU 11 HD21 LEU 11 6.742 1.343 2.085 89 HD22 LEU 11 HD22 LEU 11 6.979 0.807 3.749 90 HD23 LEU 11 HD23 LEU 11 6.718 2.514 3.402 91 H THR 12 HN THR 12 5.009 1.905 7.821 92 HA THR 12 HA THR 12 2.447 2.667 8.712 93 HB THR 12 HB THR 12 4.951 2.101 10.318 94 HG1 THR 12 HG1 THR 12 4.505 0.214 9.374 95 HG21 THR 12 HG21 THR 12 3.374 1.556 12.155 96 HG22 THR 12 HG22 THR 12 2.058 2.195 11.170 97 HG23 THR 12 HG23 THR 12 3.351 3.263 11.710 98 H SER 13 HN SER 13 5.321 4.465 8.274 99 HA SER 13 HA SER 13 4.578 6.534 10.196 100 HB2 SER 13 HB2 SER 13 6.961 6.299 8.363 101 HB3 SER 13 HB1 SER 13 6.741 7.546 9.593 102 HG SER 13 HG SER 13 7.381 4.841 9.872 103 H LYS 14 HN LYS 14 4.910 6.026 6.742 104 HA LYS 14 HA LYS 14 4.398 8.791 6.080 105 HB2 LYS 14 HB2 LYS 14 4.540 6.333 4.318 106 HB3 LYS 14 HB1 LYS 14 4.484 7.992 3.746 107 HG2 LYS 14 HG2 LYS 14 6.651 8.447 4.621 108 HG3 LYS 14 HG1 LYS 14 6.693 6.900 5.470 109 HD2 LYS 14 HD2 LYS 14 6.689 5.705 3.356 110 HD3 LYS 14 HD1 LYS 14 6.546 7.225 2.472 111 HE2 LYS 14 HE2 LYS 14 8.860 6.511 4.266 112 HE3 LYS 14 HE1 LYS 14 8.852 6.283 2.517 113 HZ1 LYS 14 HZ1 LYS 14 9.928 8.369 3.306 114 HZ2 LYS 14 HZ2 LYS 14 8.413 8.911 3.820 115 HZ3 LYS 14 HZ3 LYS 14 8.693 8.612 2.177 116 H LEU 15 HN LEU 15 2.678 5.803 6.344 117 HA LEU 15 HA LEU 15 0.324 6.980 5.004 118 HB2 LEU 15 HB2 LEU 15 1.717 4.402 4.758 119 HB3 LEU 15 HB1 LEU 15 -0.035 4.292 4.814 120 HG LEU 15 HG LEU 15 -0.315 5.396 2.783 121 HD11 LEU 15 HD11 LEU 15 0.972 7.386 3.188 122 HD12 LEU 15 HD12 LEU 15 1.475 6.680 1.651 123 HD13 LEU 15 HD13 LEU 15 2.482 6.478 3.086 124 HD21 LEU 15 HD21 LEU 15 0.738 3.208 2.494 125 HD22 LEU 15 HD22 LEU 15 2.324 3.977 2.505 126 HD23 LEU 15 HD23 LEU 15 1.186 4.326 1.207 127 H LYS 16 HN LYS 16 1.579 5.837 7.841 128 HA LYS 16 HA LYS 16 0.733 5.631 9.918 129 HB2 LYS 16 HB2 LYS 16 -1.948 6.223 8.648 130 HB3 LYS 16 HB1 LYS 16 -1.654 6.123 10.377 131 HG2 LYS 16 HG2 LYS 16 0.003 7.990 10.098 132 HG3 LYS 16 HG1 LYS 16 -0.588 8.161 8.444 133 HD2 LYS 16 HD2 LYS 16 -2.845 8.569 9.288 134 HD3 LYS 16 HD1 LYS 16 -2.269 8.371 10.943 135 HE2 LYS 16 HE2 LYS 16 -2.368 10.688 10.613 136 HE3 LYS 16 HE1 LYS 16 -0.663 10.278 10.444 137 HZ1 LYS 16 HZ1 LYS 16 -2.576 10.730 8.215 138 HZ2 LYS 16 HZ2 LYS 16 -0.941 10.317 8.036 139 HZ3 LYS 16 HZ3 LYS 16 -1.367 11.803 8.722 140 HA PRO 17 HA PRO 17 -0.310 1.379 10.083 141 HB2 PRO 17 HB2 PRO 17 -1.053 1.065 12.648 142 HB3 PRO 17 HB1 PRO 17 0.608 1.456 12.195 143 HG2 PRO 17 HG2 PRO 17 -1.552 3.252 13.220 144 HG3 PRO 17 HG1 PRO 17 0.171 3.220 13.640 145 HD2 PRO 17 HD2 PRO 17 -0.938 5.001 11.879 146 HD3 PRO 17 HD1 PRO 17 0.758 4.488 11.827 147 H ILE 18 HN ILE 18 -2.456 2.715 8.867 148 HA ILE 18 HA ILE 18 -4.909 1.984 10.207 149 HB ILE 18 HB ILE 18 -4.629 2.597 7.271 150 HG12 ILE 18 HG12 ILE 18 -3.509 4.384 8.579 151 HG13 ILE 18 HG11 ILE 18 -4.952 4.958 7.753 152 HG21 ILE 18 HG21 ILE 18 -6.783 1.724 7.980 153 HG22 ILE 18 HG22 ILE 18 -6.932 3.420 7.521 154 HG23 ILE 18 HG23 ILE 18 -6.899 2.968 9.225 155 HD11 ILE 18 HD11 ILE 18 -4.723 4.278 10.674 156 HD12 ILE 18 HD12 ILE 18 -6.193 4.812 9.859 157 HD13 ILE 18 HD13 ILE 18 -4.806 5.894 9.971 158 H HIS 19 HN HIS 19 -4.112 1.090 6.876 159 HA HIS 19 HA HIS 19 -3.956 -1.729 7.647 160 HB2 HIS 19 HB2 HIS 19 -6.261 -1.387 6.810 161 HB3 HIS 19 HB1 HIS 19 -5.612 -0.693 5.336 162 HD1 HIS 19 HD1 HIS 19 -6.344 -3.931 6.972 163 HD2 HIS 19 HD2 HIS 19 -4.473 -2.563 3.522 164 HE1 HIS 19 HE1 HIS 19 -6.200 -5.916 5.448 165 HE2 HIS 19 HE2 HIS 19 -4.904 -5.119 3.434 166 H LEU 20 HN LEU 20 -1.869 -1.887 7.284 167 HA LEU 20 HA LEU 20 -0.875 -1.238 4.592 168 HB2 LEU 20 HB2 LEU 20 -0.130 0.272 6.558 169 HB3 LEU 20 HB1 LEU 20 0.775 -1.117 7.116 170 HG LEU 20 HG LEU 20 2.127 0.556 5.878 171 HD11 LEU 20 HD11 LEU 20 2.893 -1.740 6.043 172 HD12 LEU 20 HD12 LEU 20 3.324 -1.048 4.479 173 HD13 LEU 20 HD13 LEU 20 1.966 -2.168 4.604 174 HD21 LEU 20 HD21 LEU 20 0.523 -0.363 3.500 175 HD22 LEU 20 HD22 LEU 20 1.918 0.714 3.464 176 HD23 LEU 20 HD23 LEU 20 0.429 1.227 4.256 177 H GLU 21 HN GLU 21 -0.191 -3.010 3.600 178 HA GLU 21 HA GLU 21 0.789 -5.284 5.142 179 HB2 GLU 21 HB2 GLU 21 -1.457 -5.403 3.119 180 HB3 GLU 21 HB1 GLU 21 -0.616 -6.813 3.739 181 HG2 GLU 21 HG2 GLU 21 -2.165 -4.872 5.435 182 HG3 GLU 21 HG1 GLU 21 -2.804 -6.391 4.807 183 H VAL 22 HN VAL 22 2.826 -5.026 4.300 184 HA VAL 22 HA VAL 22 3.068 -5.251 1.389 185 HB VAL 22 HB VAL 22 5.363 -4.586 1.584 186 HG11 VAL 22 HG11 VAL 22 5.098 -2.357 2.717 187 HG12 VAL 22 HG12 VAL 22 3.488 -2.891 3.210 188 HG13 VAL 22 HG13 VAL 22 3.888 -2.748 1.500 189 HG21 VAL 22 HG21 VAL 22 4.984 -4.609 4.581 190 HG22 VAL 22 HG22 VAL 22 6.428 -4.065 3.726 191 HG23 VAL 22 HG23 VAL 22 5.944 -5.760 3.651 192 H ILE 23 HN ILE 23 4.145 -6.958 0.461 193 HA ILE 23 HA ILE 23 4.613 -9.242 2.232 194 HB ILE 23 HB ILE 23 3.538 -9.404 -0.573 195 HG12 ILE 23 HG12 ILE 23 1.918 -8.302 0.941 196 HG13 ILE 23 HG11 ILE 23 1.344 -9.867 0.376 197 HG21 ILE 23 HG21 ILE 23 3.763 -11.467 1.610 198 HG22 ILE 23 HG22 ILE 23 4.746 -11.380 0.149 199 HG23 ILE 23 HG23 ILE 23 3.021 -11.728 0.032 200 HD11 ILE 23 HD11 ILE 23 0.835 -9.545 2.720 201 HD12 ILE 23 HD12 ILE 23 2.541 -9.275 3.075 202 HD13 ILE 23 HD13 ILE 23 1.995 -10.857 2.519 203 H ASP 24 HN ASP 24 6.727 -9.190 2.283 204 HA ASP 24 HA ASP 24 8.480 -8.792 0.109 205 HB2 ASP 24 HB2 ASP 24 9.361 -8.641 2.357 206 HB3 ASP 24 HB1 ASP 24 8.931 -10.317 2.681 207 H ILE 25 HN ILE 25 8.400 -9.950 -1.663 208 HA ILE 25 HA ILE 25 8.028 -12.863 -1.466 209 HB ILE 25 HB ILE 25 7.870 -11.217 -3.989 210 HG12 ILE 25 HG12 ILE 25 5.480 -11.986 -2.329 211 HG13 ILE 25 HG11 ILE 25 6.302 -10.447 -2.091 212 HG21 ILE 25 HG21 ILE 25 6.667 -13.871 -3.200 213 HG22 ILE 25 HG22 ILE 25 8.053 -13.637 -4.265 214 HG23 ILE 25 HG23 ILE 25 6.458 -13.068 -4.756 215 HD11 ILE 25 HD11 ILE 25 4.366 -10.228 -3.541 216 HD12 ILE 25 HD12 ILE 25 5.073 -11.393 -4.663 217 HD13 ILE 25 HD13 ILE 25 5.864 -9.840 -4.390 218 H SER 26 HN SER 26 10.469 -10.735 -1.510 219 HA SER 26 HA SER 26 12.267 -12.561 -2.877 220 HB2 SER 26 HB2 SER 26 13.201 -10.470 -4.143 221 HB3 SER 26 HB1 SER 26 11.787 -11.316 -4.777 222 HG SER 26 HG SER 26 10.537 -9.744 -3.517 223 H GLY 27 HN GLY 27 12.832 -9.140 -2.226 224 HA2 GLY 27 HA2 GLY 27 13.881 -9.102 0.267 225 HA3 GLY 27 HA1 GLY 27 15.173 -9.804 -0.695 226 H GLY 28 HN GLY 28 16.511 -8.483 -1.756 227 HA2 GLY 28 HA2 GLY 28 15.782 -5.618 -1.787 228 HA3 GLY 28 HA1 GLY 28 17.395 -6.189 -1.400 229 H CYS 29 HN CYS 29 17.611 -8.150 -3.429 230 HA CYS 29 HA CYS 29 18.134 -6.376 -5.687 231 HB2 CYS 29 HB2 CYS 29 19.924 -7.892 -4.837 232 HB3 CYS 29 HB1 CYS 29 18.925 -9.270 -5.282 233 HG CYS 29 HG CYS 29 19.557 -7.086 -7.759 234 H GLY 30 HN GLY 30 16.238 -9.101 -4.731 235 HA2 GLY 30 HA2 GLY 30 15.011 -9.447 -7.335 236 HA3 GLY 30 HA1 GLY 30 14.642 -10.348 -5.864 237 H SER 31 HN SER 31 14.809 -7.483 -4.718 238 HA SER 31 HA SER 31 12.547 -7.323 -3.483 239 HB2 SER 31 HB2 SER 31 14.211 -5.649 -3.161 240 HB3 SER 31 HB1 SER 31 13.968 -5.005 -4.782 241 HG SER 31 HG SER 31 12.458 -4.660 -2.471 242 H SER 32 HN SER 32 10.641 -7.726 -4.028 243 HA SER 32 HA SER 32 9.204 -5.802 -5.653 244 HB2 SER 32 HB2 SER 32 7.865 -7.806 -6.630 245 HB3 SER 32 HB1 SER 32 9.434 -7.432 -7.342 246 HG SER 32 HG SER 32 10.339 -9.084 -6.049 247 H PHE 33 HN PHE 33 7.721 -5.036 -4.282 248 HA PHE 33 HA PHE 33 6.656 -6.880 -2.245 249 HB2 PHE 33 HB2 PHE 33 7.028 -3.888 -2.048 250 HB3 PHE 33 HB1 PHE 33 6.336 -4.915 -0.801 251 HD1 PHE 33 HD1 PHE 33 7.803 -6.758 0.154 252 HD2 PHE 33 HD2 PHE 33 9.320 -3.510 -2.129 253 HE1 PHE 33 HE1 PHE 33 10.039 -7.149 1.088 254 HE2 PHE 33 HE2 PHE 33 11.558 -3.896 -1.199 255 HZ PHE 33 HZ PHE 33 11.921 -5.716 0.413 256 H GLU 34 HN GLU 34 4.520 -7.094 -2.067 257 HA GLU 34 HA GLU 34 2.813 -5.295 -3.638 258 HB2 GLU 34 HB2 GLU 34 2.170 -8.032 -2.523 259 HB3 GLU 34 HB1 GLU 34 1.083 -7.035 -3.480 260 HG2 GLU 34 HG2 GLU 34 2.849 -7.127 -5.301 261 HG3 GLU 34 HG1 GLU 34 3.602 -8.406 -4.352 262 H VAL 35 HN VAL 35 2.012 -3.709 -2.487 263 HA VAL 35 HA VAL 35 1.537 -4.136 0.374 264 HB VAL 35 HB VAL 35 3.120 -2.350 -0.186 265 HG11 VAL 35 HG11 VAL 35 0.804 -1.004 -1.553 266 HG12 VAL 35 HG12 VAL 35 2.210 -1.702 -2.356 267 HG13 VAL 35 HG13 VAL 35 2.405 -0.311 -1.288 268 HG21 VAL 35 HG21 VAL 35 1.824 -2.155 1.853 269 HG22 VAL 35 HG22 VAL 35 0.532 -1.341 0.974 270 HG23 VAL 35 HG23 VAL 35 2.105 -0.563 1.150 271 H GLU 36 HN GLU 36 -0.406 -3.784 1.298 272 HA GLU 36 HA GLU 36 -2.584 -2.727 -0.374 273 HB2 GLU 36 HB2 GLU 36 -2.790 -4.338 2.179 274 HB3 GLU 36 HB1 GLU 36 -4.138 -3.735 1.235 275 HG2 GLU 36 HG2 GLU 36 -3.303 -5.171 -0.655 276 HG3 GLU 36 HG1 GLU 36 -2.200 -5.906 0.511 277 H VAL 37 HN VAL 37 -2.814 -0.626 0.032 278 HA VAL 37 HA VAL 37 -2.321 0.325 2.765 279 HB VAL 37 HB VAL 37 -2.358 1.972 0.238 280 HG11 VAL 37 HG11 VAL 37 -2.896 3.214 2.249 281 HG12 VAL 37 HG12 VAL 37 -1.317 3.689 1.622 282 HG13 VAL 37 HG13 VAL 37 -1.425 2.622 3.023 283 HG21 VAL 37 HG21 VAL 37 0.089 2.062 0.432 284 HG22 VAL 37 HG22 VAL 37 -0.494 0.426 0.131 285 HG23 VAL 37 HG23 VAL 37 0.013 0.895 1.753 286 H VAL 38 HN VAL 38 -3.943 1.058 3.862 287 HA VAL 38 HA VAL 38 -6.178 2.336 2.442 288 HB VAL 38 HB VAL 38 -6.324 0.881 5.093 289 HG11 VAL 38 HG11 VAL 38 -8.484 2.272 3.529 290 HG12 VAL 38 HG12 VAL 38 -7.783 2.814 5.055 291 HG13 VAL 38 HG13 VAL 38 -8.723 1.323 4.997 292 HG21 VAL 38 HG21 VAL 38 -7.529 0.177 2.421 293 HG22 VAL 38 HG22 VAL 38 -7.798 -0.692 3.931 294 HG23 VAL 38 HG23 VAL 38 -6.191 -0.661 3.204 295 H SER 39 HN SER 39 -5.511 4.425 2.577 296 HA SER 39 HA SER 39 -5.017 5.481 5.252 297 HB2 SER 39 HB2 SER 39 -2.823 4.903 4.150 298 HB3 SER 39 HB1 SER 39 -3.207 6.099 2.913 299 HG SER 39 HG SER 39 -2.382 6.437 5.531 300 H GLU 40 HN GLU 40 -5.168 7.752 5.366 301 HA GLU 40 HA GLU 40 -7.558 8.705 4.318 302 HB2 GLU 40 HB2 GLU 40 -6.921 10.822 5.392 303 HB3 GLU 40 HB1 GLU 40 -6.612 9.428 6.414 304 HG2 GLU 40 HG2 GLU 40 -4.245 9.487 5.724 305 HG3 GLU 40 HG1 GLU 40 -4.586 10.965 4.827 306 H GLN 41 HN GLN 41 -4.819 8.409 2.546 307 HA GLN 41 HA GLN 41 -5.034 10.974 1.147 308 HB2 GLN 41 HB2 GLN 41 -3.056 8.717 1.041 309 HB3 GLN 41 HB1 GLN 41 -3.165 9.846 -0.301 310 HG2 GLN 41 HG2 GLN 41 -1.410 10.568 1.121 311 HG3 GLN 41 HG1 GLN 41 -2.745 11.700 1.300 312 HE21 GLN 41 HE21 GLN 41 -2.664 8.533 2.775 313 HE22 GLN 41 HE22 GLN 41 -2.527 9.078 4.399 314 H PHE 42 HN PHE 42 -6.597 8.243 1.234 315 HA PHE 42 HA PHE 42 -7.165 8.165 -1.657 316 HB2 PHE 42 HB2 PHE 42 -7.515 6.007 0.431 317 HB3 PHE 42 HB1 PHE 42 -7.861 5.834 -1.287 318 HD1 PHE 42 HD1 PHE 42 -5.310 7.436 -2.132 319 HD2 PHE 42 HD2 PHE 42 -6.007 4.180 0.520 320 HE1 PHE 42 HE1 PHE 42 -3.011 6.642 -2.503 321 HE2 PHE 42 HE2 PHE 42 -3.715 3.390 0.161 322 HZ PHE 42 HZ PHE 42 -2.215 4.618 -1.352 323 H GLU 43 HN GLU 43 -8.246 9.906 0.494 324 HA GLU 43 HA GLU 43 -10.783 8.712 1.305 325 HB2 GLU 43 HB2 GLU 43 -9.377 9.996 2.899 326 HB3 GLU 43 HB1 GLU 43 -9.626 11.439 1.932 327 HG2 GLU 43 HG2 GLU 43 -12.001 9.989 2.985 328 HG3 GLU 43 HG1 GLU 43 -11.043 10.974 4.086 329 H GLY 44 HN GLY 44 -12.481 8.779 -0.042 330 HA2 GLY 44 HA2 GLY 44 -13.813 9.425 -1.800 331 HA3 GLY 44 HA1 GLY 44 -13.589 11.055 -1.182 332 H LYS 45 HN LYS 45 -10.828 9.276 -2.184 333 HA LYS 45 HA LYS 45 -10.327 11.238 -4.271 334 HB2 LYS 45 HB2 LYS 45 -8.523 9.085 -3.158 335 HB3 LYS 45 HB1 LYS 45 -8.041 10.433 -4.141 336 HG2 LYS 45 HG2 LYS 45 -9.093 10.636 -1.352 337 HG3 LYS 45 HG1 LYS 45 -7.412 10.808 -1.851 338 HD2 LYS 45 HD2 LYS 45 -8.023 12.771 -3.191 339 HD3 LYS 45 HD1 LYS 45 -9.699 12.602 -2.662 340 HE2 LYS 45 HE2 LYS 45 -8.924 12.850 -0.317 341 HE3 LYS 45 HE1 LYS 45 -7.300 13.160 -0.925 342 HZ1 LYS 45 HZ1 LYS 45 -8.213 15.080 -2.137 343 HZ2 LYS 45 HZ2 LYS 45 -8.387 15.221 -0.462 344 HZ3 LYS 45 HZ3 LYS 45 -9.717 14.803 -1.413 345 H ARG 46 HN ARG 46 -9.311 10.418 -6.301 346 HA ARG 46 HA ARG 46 -10.665 7.974 -7.150 347 HB2 ARG 46 HB2 ARG 46 -9.373 10.179 -8.762 348 HB3 ARG 46 HB1 ARG 46 -10.110 8.744 -9.453 349 HG2 ARG 46 HG2 ARG 46 -11.501 10.866 -7.838 350 HG3 ARG 46 HG1 ARG 46 -11.644 10.596 -9.578 351 HD2 ARG 46 HD2 ARG 46 -12.626 8.407 -9.175 352 HD3 ARG 46 HD1 ARG 46 -12.430 8.619 -7.439 353 HE ARG 46 HE ARG 46 -14.028 10.640 -8.763 354 HH11 ARG 46 HH11 ARG 46 -13.981 7.598 -7.027 355 HH12 ARG 46 HH12 ARG 46 -15.649 7.686 -6.563 356 HH21 ARG 46 HH21 ARG 46 -16.232 10.764 -8.139 357 HH22 ARG 46 HH22 ARG 46 -16.930 9.482 -7.197 358 H LEU 47 HN LEU 47 -9.645 6.229 -7.832 359 HA LEU 47 HA LEU 47 -7.454 5.219 -6.754 360 HB2 LEU 47 HB2 LEU 47 -8.332 4.701 -9.584 361 HB3 LEU 47 HB1 LEU 47 -7.236 3.675 -8.679 362 HG LEU 47 HG LEU 47 -10.096 4.232 -7.885 363 HD11 LEU 47 HD11 LEU 47 -9.980 2.970 -9.969 364 HD12 LEU 47 HD12 LEU 47 -10.549 1.958 -8.642 365 HD13 LEU 47 HD13 LEU 47 -8.887 1.810 -9.213 366 HD21 LEU 47 HD21 LEU 47 -8.694 3.683 -5.987 367 HD22 LEU 47 HD22 LEU 47 -8.053 2.277 -6.834 368 HD23 LEU 47 HD23 LEU 47 -9.752 2.326 -6.365 369 H LEU 48 HN LEU 48 -7.301 7.094 -9.729 370 HA LEU 48 HA LEU 48 -4.569 6.565 -10.281 371 HB2 LEU 48 HB2 LEU 48 -6.453 7.464 -11.839 372 HB3 LEU 48 HB1 LEU 48 -6.018 9.033 -11.201 373 HG LEU 48 HG LEU 48 -4.073 7.209 -12.621 374 HD11 LEU 48 HD11 LEU 48 -5.844 7.856 -14.142 375 HD12 LEU 48 HD12 LEU 48 -4.355 8.712 -14.536 376 HD13 LEU 48 HD13 LEU 48 -5.651 9.547 -13.682 377 HD21 LEU 48 HD21 LEU 48 -2.717 9.237 -12.825 378 HD22 LEU 48 HD22 LEU 48 -3.012 8.831 -11.134 379 HD23 LEU 48 HD23 LEU 48 -3.918 10.137 -11.899 380 H GLU 49 HN GLU 49 -6.244 9.400 -9.015 381 HA GLU 49 HA GLU 49 -3.992 10.911 -8.289 382 HB2 GLU 49 HB2 GLU 49 -6.356 11.129 -6.524 383 HB3 GLU 49 HB1 GLU 49 -5.482 12.387 -7.382 384 HG2 GLU 49 HG2 GLU 49 -7.466 10.503 -8.637 385 HG3 GLU 49 HG1 GLU 49 -7.823 12.141 -8.107 386 H ARG 50 HN ARG 50 -5.800 8.383 -6.735 387 HA ARG 50 HA ARG 50 -4.763 8.433 -4.151 388 HB2 ARG 50 HB2 ARG 50 -5.799 6.237 -5.945 389 HB3 ARG 50 HB1 ARG 50 -5.263 5.897 -4.291 390 HG2 ARG 50 HG2 ARG 50 -6.951 7.605 -3.526 391 HG3 ARG 50 HG1 ARG 50 -7.551 7.637 -5.185 392 HD2 ARG 50 HD2 ARG 50 -7.730 5.071 -4.923 393 HD3 ARG 50 HD1 ARG 50 -7.614 5.391 -3.198 394 HE ARG 50 HE ARG 50 -9.604 7.027 -4.368 395 HH11 ARG 50 HH11 ARG 50 -9.034 3.703 -3.373 396 HH12 ARG 50 HH12 ARG 50 -10.724 3.359 -3.177 397 HH21 ARG 50 HH21 ARG 50 -11.799 6.561 -4.118 398 HH22 ARG 50 HH22 ARG 50 -12.301 4.983 -3.593 399 H HIS 51 HN HIS 51 -3.690 6.581 -6.987 400 HA HIS 51 HA HIS 51 -1.469 5.418 -5.636 401 HB2 HIS 51 HB2 HIS 51 -1.952 5.688 -8.609 402 HB3 HIS 51 HB1 HIS 51 -0.737 4.655 -7.867 403 HD1 HIS 51 HD1 HIS 51 -3.580 4.096 -9.586 404 HD2 HIS 51 HD2 HIS 51 -2.545 3.072 -5.708 405 HE1 HIS 51 HE1 HIS 51 -5.050 2.161 -8.955 406 HE2 HIS 51 HE2 HIS 51 -4.244 1.428 -6.706 407 H ARG 52 HN ARG 52 -1.867 8.256 -7.641 408 HA ARG 52 HA ARG 52 0.897 8.737 -8.078 409 HB2 ARG 52 HB2 ARG 52 -0.863 9.676 -9.512 410 HB3 ARG 52 HB1 ARG 52 -1.470 10.622 -8.162 411 HG2 ARG 52 HG2 ARG 52 0.625 11.882 -8.104 412 HG3 ARG 52 HG1 ARG 52 1.227 10.933 -9.464 413 HD2 ARG 52 HD2 ARG 52 0.338 13.116 -10.169 414 HD3 ARG 52 HD1 ARG 52 -0.553 11.770 -10.876 415 HE ARG 52 HE ARG 52 -1.576 13.103 -8.465 416 HH11 ARG 52 HH11 ARG 52 -1.927 12.292 -11.854 417 HH12 ARG 52 HH12 ARG 52 -3.602 12.725 -11.911 418 HH21 ARG 52 HH21 ARG 52 -3.773 13.683 -8.547 419 HH22 ARG 52 HH22 ARG 52 -4.666 13.503 -10.024 420 H MET 53 HN MET 53 -1.143 9.080 -5.411 421 HA MET 53 HA MET 53 0.425 11.260 -4.267 422 HB2 MET 53 HB2 MET 53 -2.067 11.288 -4.172 423 HB3 MET 53 HB1 MET 53 -2.010 9.860 -3.152 424 HG2 MET 53 HG2 MET 53 -2.330 11.894 -1.840 425 HG3 MET 53 HG1 MET 53 -0.827 11.073 -1.431 426 HE1 MET 53 HE1 MET 53 -1.085 14.919 -3.971 427 HE2 MET 53 HE2 MET 53 -2.478 14.128 -3.231 428 HE3 MET 53 HE3 MET 53 -1.620 13.346 -4.558 429 H VAL 54 HN VAL 54 -0.399 7.905 -3.803 430 HA VAL 54 HA VAL 54 0.968 7.563 -1.348 431 HB VAL 54 HB VAL 54 -0.733 6.073 -2.814 432 HG11 VAL 54 HG11 VAL 54 1.888 4.636 -3.065 433 HG12 VAL 54 HG12 VAL 54 0.928 5.297 -4.388 434 HG13 VAL 54 HG13 VAL 54 0.300 3.958 -3.425 435 HG21 VAL 54 HG21 VAL 54 1.085 5.201 -0.588 436 HG22 VAL 54 HG22 VAL 54 -0.317 4.275 -1.117 437 HG23 VAL 54 HG23 VAL 54 -0.530 5.891 -0.443 438 H ASN 55 HN ASN 55 1.828 7.125 -4.722 439 HA ASN 55 HA ASN 55 4.404 6.062 -4.060 440 HB2 ASN 55 HB2 ASN 55 4.805 5.780 -6.282 441 HB3 ASN 55 HB1 ASN 55 3.048 5.711 -6.278 442 HD21 ASN 55 HD21 ASN 55 2.565 8.461 -5.979 443 HD22 ASN 55 HD22 ASN 55 3.151 9.298 -7.378 444 H ALA 56 HN ALA 56 3.057 9.160 -4.262 445 HA ALA 56 HA ALA 56 5.373 10.652 -4.817 446 HB1 ALA 56 HB1 ALA 56 4.322 12.477 -3.569 447 HB2 ALA 56 HB2 ALA 56 3.139 11.349 -2.906 448 HB3 ALA 56 HB3 ALA 56 3.160 11.689 -4.636 449 H ALA 57 HN ALA 57 4.111 9.242 -1.856 450 HA ALA 57 HA ALA 57 6.393 10.136 -0.284 451 HB1 ALA 57 HB1 ALA 57 5.169 9.047 1.578 452 HB2 ALA 57 HB2 ALA 57 3.932 8.539 0.422 453 HB3 ALA 57 HB3 ALA 57 4.202 10.255 0.731 454 H LEU 58 HN LEU 58 5.634 7.637 -2.303 455 HA LEU 58 HA LEU 58 7.249 5.659 -0.851 456 HB2 LEU 58 HB2 LEU 58 4.723 5.494 -2.345 457 HB3 LEU 58 HB1 LEU 58 5.862 4.217 -2.674 458 HG LEU 58 HG LEU 58 5.885 3.642 -0.271 459 HD11 LEU 58 HD11 LEU 58 5.379 5.834 0.650 460 HD12 LEU 58 HD12 LEU 58 4.208 4.640 1.212 461 HD13 LEU 58 HD13 LEU 58 3.767 5.778 -0.060 462 HD21 LEU 58 HD21 LEU 58 3.173 3.753 -1.582 463 HD22 LEU 58 HD22 LEU 58 3.575 2.757 -0.186 464 HD23 LEU 58 HD23 LEU 58 4.368 2.467 -1.733 465 H GLU 59 HN GLU 59 7.382 7.781 -3.259 466 HA GLU 59 HA GLU 59 8.576 6.239 -5.350 467 HB2 GLU 59 HB2 GLU 59 7.538 8.466 -5.788 468 HB3 GLU 59 HB1 GLU 59 8.803 9.215 -4.798 469 HG2 GLU 59 HG2 GLU 59 10.503 8.383 -6.380 470 HG3 GLU 59 HG1 GLU 59 9.210 7.731 -7.386 471 H GLU 60 HN GLU 60 9.610 7.910 -2.515 472 HA GLU 60 HA GLU 60 12.420 7.806 -2.913 473 HB2 GLU 60 HB2 GLU 60 11.232 7.631 -0.177 474 HB3 GLU 60 HB1 GLU 60 12.544 8.648 -0.757 475 HG2 GLU 60 HG2 GLU 60 10.955 10.118 -1.853 476 HG3 GLU 60 HG1 GLU 60 9.615 9.079 -1.350 477 H GLU 61 HN GLU 61 9.961 5.811 -1.524 478 HA GLU 61 HA GLU 61 11.594 3.767 -0.452 479 HB2 GLU 61 HB2 GLU 61 9.080 4.448 -0.073 480 HB3 GLU 61 HB1 GLU 61 8.791 3.329 -1.398 481 HG2 GLU 61 HG2 GLU 61 8.489 2.199 0.715 482 HG3 GLU 61 HG1 GLU 61 9.886 1.536 -0.132 483 H MET 62 HN MET 62 9.891 4.282 -3.485 484 HA MET 62 HA MET 62 10.385 1.819 -4.706 485 HB2 MET 62 HB2 MET 62 8.788 3.463 -5.589 486 HB3 MET 62 HB1 MET 62 10.115 4.544 -5.986 487 HG2 MET 62 HG2 MET 62 10.981 2.892 -7.571 488 HG3 MET 62 HG1 MET 62 9.633 1.825 -7.182 489 HE1 MET 62 HE1 MET 62 10.328 2.645 -10.156 490 HE2 MET 62 HE2 MET 62 8.721 3.001 -10.789 491 HE3 MET 62 HE3 MET 62 8.962 1.619 -9.721 492 H LYS 63 HN LYS 63 12.356 4.690 -4.378 493 HA LYS 63 HA LYS 63 14.380 3.866 -6.206 494 HB2 LYS 63 HB2 LYS 63 14.478 5.861 -3.942 495 HB3 LYS 63 HB1 LYS 63 15.737 5.655 -5.152 496 HG2 LYS 63 HG2 LYS 63 14.185 6.312 -6.904 497 HG3 LYS 63 HG1 LYS 63 12.896 6.481 -5.710 498 HD2 LYS 63 HD2 LYS 63 14.238 8.219 -4.571 499 HD3 LYS 63 HD1 LYS 63 15.446 8.087 -5.850 500 HE2 LYS 63 HE2 LYS 63 13.748 8.730 -7.502 501 HE3 LYS 63 HE1 LYS 63 12.560 8.888 -6.209 502 HZ1 LYS 63 HZ1 LYS 63 13.452 11.032 -6.784 503 HZ2 LYS 63 HZ2 LYS 63 15.033 10.494 -6.525 504 HZ3 LYS 63 HZ3 LYS 63 13.963 10.619 -5.223 505 H GLU 64 HN GLU 64 13.556 2.883 -3.063 506 HA GLU 64 HA GLU 64 16.254 1.855 -2.563 507 HB2 GLU 64 HB2 GLU 64 15.065 3.039 -0.720 508 HB3 GLU 64 HB1 GLU 64 13.841 1.777 -0.747 509 HG2 GLU 64 HG2 GLU 64 15.373 1.361 1.046 510 HG3 GLU 64 HG1 GLU 64 15.576 0.125 -0.189 511 H ILE 65 HN ILE 65 13.022 0.896 -3.301 512 HA ILE 65 HA ILE 65 13.792 -1.937 -3.256 513 HB ILE 65 HB ILE 65 11.523 -2.537 -3.216 514 HG12 ILE 65 HG12 ILE 65 11.143 -0.019 -4.626 515 HG13 ILE 65 HG11 ILE 65 10.191 -1.483 -4.677 516 HG21 ILE 65 HG21 ILE 65 10.526 -1.195 -1.371 517 HG22 ILE 65 HG22 ILE 65 11.849 -0.043 -1.559 518 HG23 ILE 65 HG23 ILE 65 12.186 -1.705 -1.081 519 HD11 ILE 65 HD11 ILE 65 9.945 0.645 -2.570 520 HD12 ILE 65 HD12 ILE 65 8.969 -0.819 -2.701 521 HD13 ILE 65 HD13 ILE 65 8.868 0.424 -3.948 522 H HIS 66 HN HIS 66 12.112 -2.934 -5.204 523 HA HIS 66 HA HIS 66 13.052 -1.531 -7.612 524 HB2 HIS 66 HB2 HIS 66 12.876 -4.479 -7.076 525 HB3 HIS 66 HB1 HIS 66 12.922 -3.838 -8.717 526 HD1 HIS 66 HD1 HIS 66 15.031 -1.751 -8.617 527 HD2 HIS 66 HD2 HIS 66 15.390 -5.325 -6.552 528 HE1 HIS 66 HE1 HIS 66 17.476 -2.069 -8.199 529 HE2 HIS 66 HE2 HIS 66 17.683 -4.324 -7.136 530 H ALA 67 HN ALA 67 10.339 -2.508 -5.884 531 HA ALA 67 HA ALA 67 8.533 -1.797 -7.970 532 HB1 ALA 67 HB1 ALA 67 7.430 -3.939 -8.280 533 HB2 ALA 67 HB2 ALA 67 8.598 -4.713 -7.212 534 HB3 ALA 67 HB3 ALA 67 9.125 -4.040 -8.753 535 H LEU 68 HN LEU 68 6.985 -0.776 -6.932 536 HA LEU 68 HA LEU 68 6.010 -1.846 -4.392 537 HB2 LEU 68 HB2 LEU 68 5.375 0.336 -3.762 538 HB3 LEU 68 HB1 LEU 68 6.982 0.465 -4.437 539 HG LEU 68 HG LEU 68 4.492 1.187 -5.975 540 HD11 LEU 68 HD11 LEU 68 4.693 2.615 -4.012 541 HD12 LEU 68 HD12 LEU 68 5.051 3.511 -5.488 542 HD13 LEU 68 HD13 LEU 68 6.363 2.979 -4.439 543 HD21 LEU 68 HD21 LEU 68 6.360 0.711 -7.416 544 HD22 LEU 68 HD22 LEU 68 7.423 1.724 -6.441 545 HD23 LEU 68 HD23 LEU 68 6.111 2.455 -7.365 546 H SER 69 HN SER 69 4.460 -3.239 -4.980 547 HA SER 69 HA SER 69 2.513 -2.421 -6.990 548 HB2 SER 69 HB2 SER 69 2.837 -5.074 -5.570 549 HB3 SER 69 HB1 SER 69 1.753 -4.746 -6.918 550 HG SER 69 HG SER 69 3.695 -5.733 -7.600 551 H ILE 70 HN ILE 70 1.339 -0.878 -5.822 552 HA ILE 70 HA ILE 70 0.157 -1.648 -3.312 553 HB ILE 70 HB ILE 70 0.781 0.658 -3.483 554 HG12 ILE 70 HG12 ILE 70 -2.234 0.485 -3.659 555 HG13 ILE 70 HG11 ILE 70 -1.286 0.111 -2.225 556 HG21 ILE 70 HG21 ILE 70 -1.008 0.837 -5.894 557 HG22 ILE 70 HG22 ILE 70 0.751 0.957 -5.870 558 HG23 ILE 70 HG23 ILE 70 -0.228 2.205 -5.100 559 HD11 ILE 70 HD11 ILE 70 -0.491 2.416 -2.159 560 HD12 ILE 70 HD12 ILE 70 -2.251 2.324 -2.087 561 HD13 ILE 70 HD13 ILE 70 -1.454 2.785 -3.591 562 H LYS 71 HN LYS 71 -0.981 -3.378 -3.779 563 HA LYS 71 HA LYS 71 -2.714 -3.636 -6.011 564 HB2 LYS 71 HB2 LYS 71 -2.973 -5.240 -3.475 565 HB3 LYS 71 HB1 LYS 71 -3.297 -5.748 -5.126 566 HG2 LYS 71 HG2 LYS 71 -0.581 -5.116 -4.015 567 HG3 LYS 71 HG1 LYS 71 -1.250 -6.741 -4.183 568 HD2 LYS 71 HD2 LYS 71 -0.823 -4.814 -6.468 569 HD3 LYS 71 HD1 LYS 71 0.300 -6.096 -6.021 570 HE2 LYS 71 HE2 LYS 71 -2.567 -6.495 -6.866 571 HE3 LYS 71 HE1 LYS 71 -1.157 -6.739 -7.892 572 HZ1 LYS 71 HZ1 LYS 71 -0.399 -8.466 -6.363 573 HZ2 LYS 71 HZ2 LYS 71 -1.930 -8.825 -6.995 574 HZ3 LYS 71 HZ3 LYS 71 -1.790 -8.249 -5.413 575 H LYS 72 HN LYS 72 -3.026 -2.410 -2.824 576 HA LYS 72 HA LYS 72 -5.881 -1.935 -3.253 577 HB2 LYS 72 HB2 LYS 72 -4.552 -3.210 -0.945 578 HB3 LYS 72 HB1 LYS 72 -5.771 -2.005 -0.562 579 HG2 LYS 72 HG2 LYS 72 -6.867 -4.086 -0.579 580 HG3 LYS 72 HG1 LYS 72 -7.330 -3.254 -2.068 581 HD2 LYS 72 HD2 LYS 72 -5.841 -4.596 -3.365 582 HD3 LYS 72 HD1 LYS 72 -5.110 -5.288 -1.915 583 HE2 LYS 72 HE2 LYS 72 -7.970 -5.670 -2.793 584 HE3 LYS 72 HE1 LYS 72 -6.673 -6.846 -2.989 585 HZ1 LYS 72 HZ1 LYS 72 -7.936 -7.408 -1.063 586 HZ2 LYS 72 HZ2 LYS 72 -7.800 -5.845 -0.433 587 HZ3 LYS 72 HZ3 LYS 72 -6.427 -6.836 -0.540 588 H ALA 73 HN ALA 73 -6.246 0.059 -3.380 589 HA ALA 73 HA ALA 73 -4.962 1.898 -1.475 590 HB1 ALA 73 HB1 ALA 73 -5.588 2.516 -4.372 591 HB2 ALA 73 HB2 ALA 73 -3.978 2.295 -3.690 592 HB3 ALA 73 HB3 ALA 73 -4.966 3.664 -3.186 593 H GLN 74 HN GLN 74 -6.684 1.907 -0.099 594 HA GLN 74 HA GLN 74 -9.165 3.120 -1.101 595 HB2 GLN 74 HB2 GLN 74 -9.073 0.560 0.507 596 HB3 GLN 74 HB1 GLN 74 -10.532 1.459 0.124 597 HG2 GLN 74 HG2 GLN 74 -10.097 1.071 -2.273 598 HG3 GLN 74 HG1 GLN 74 -8.699 0.095 -1.832 599 HE21 GLN 74 HE21 GLN 74 -12.170 0.300 -1.830 600 HE22 GLN 74 HE22 GLN 74 -12.470 -1.373 -1.514 601 H THR 75 HN THR 75 -10.571 3.895 0.628 602 HA THR 75 HA THR 75 -9.185 4.384 3.158 603 HB THR 75 HB THR 75 -11.195 6.209 3.131 604 HG1 THR 75 HG1 THR 75 -10.206 6.739 0.629 605 HG21 THR 75 HG21 THR 75 -9.460 7.865 2.653 606 HG22 THR 75 HG22 THR 75 -8.393 6.584 2.081 607 HG23 THR 75 HG23 THR 75 -8.879 6.635 3.773 608 HA PRO 76 HA PRO 76 -12.077 2.069 5.395 609 HB2 PRO 76 HB2 PRO 76 -12.463 3.617 7.623 610 HB3 PRO 76 HB1 PRO 76 -11.041 2.609 7.343 611 HG2 PRO 76 HG2 PRO 76 -11.399 5.544 6.914 612 HG3 PRO 76 HG1 PRO 76 -10.014 4.670 7.596 613 HD2 PRO 76 HD2 PRO 76 -10.009 5.568 5.067 614 HD3 PRO 76 HD1 PRO 76 -9.226 4.041 5.516 615 H GLN 77 HN GLN 77 -13.008 5.166 4.256 616 HA GLN 77 HA GLN 77 -15.694 4.982 5.315 617 HB2 GLN 77 HB2 GLN 77 -15.952 7.110 4.677 618 HB3 GLN 77 HB1 GLN 77 -14.243 7.070 4.282 619 HG2 GLN 77 HG2 GLN 77 -16.037 6.128 2.162 620 HG3 GLN 77 HG1 GLN 77 -16.151 7.849 2.559 621 HE21 GLN 77 HE21 GLN 77 -13.383 5.821 2.857 622 HE22 GLN 77 HE22 GLN 77 -12.451 6.543 1.591 623 H GLN 78 HN GLN 78 -14.096 3.963 2.364 624 HA GLN 78 HA GLN 78 -16.679 3.092 1.263 625 HB2 GLN 78 HB2 GLN 78 -13.925 2.850 0.068 626 HB3 GLN 78 HB1 GLN 78 -15.448 2.559 -0.766 627 HG2 GLN 78 HG2 GLN 78 -15.499 4.682 -1.413 628 HG3 GLN 78 HG1 GLN 78 -15.448 5.213 0.275 629 HE21 GLN 78 HE21 GLN 78 -12.989 3.962 0.840 630 HE22 GLN 78 HE22 GLN 78 -11.763 4.948 0.131 631 H TRP 79 HN TRP 79 -13.594 2.055 2.406 632 HA TRP 79 HA TRP 79 -13.762 -0.703 2.142 633 HB2 TRP 79 HB2 TRP 79 -12.118 1.208 3.408 634 HB3 TRP 79 HB1 TRP 79 -12.635 0.115 4.683 635 HD1 TRP 79 HD1 TRP 79 -11.482 -0.548 1.048 636 HE1 TRP 79 HE1 TRP 79 -9.650 -2.333 1.131 637 HE3 TRP 79 HE3 TRP 79 -11.232 -1.178 6.095 638 HZ2 TRP 79 HZ2 TRP 79 -8.251 -3.849 3.126 639 HZ3 TRP 79 HZ3 TRP 79 -9.634 -2.800 7.014 640 HH2 TRP 79 HH2 TRP 79 -8.191 -4.104 5.569 641 H LYS 80 HN LYS 80 -15.093 1.581 4.336 642 HA LYS 80 HA LYS 80 -15.693 1.058 6.652 643 HB2 LYS 80 HB2 LYS 80 -18.166 1.254 6.429 644 HB3 LYS 80 HB1 LYS 80 -17.245 2.418 5.483 645 HG2 LYS 80 HG2 LYS 80 -17.608 1.067 3.474 646 HG3 LYS 80 HG1 LYS 80 -18.548 -0.085 4.425 647 HD2 LYS 80 HD2 LYS 80 -20.149 1.688 4.979 648 HD3 LYS 80 HD1 LYS 80 -19.211 2.831 4.015 649 HE2 LYS 80 HE2 LYS 80 -19.615 1.481 2.018 650 HE3 LYS 80 HE1 LYS 80 -20.541 0.331 2.980 651 HZ1 LYS 80 HZ1 LYS 80 -22.028 1.812 1.853 652 HZ2 LYS 80 HZ2 LYS 80 -21.239 3.171 2.473 653 HZ3 LYS 80 HZ3 LYS 80 -22.093 2.144 3.509 654 HA PRO 81 HA PRO 81 -16.588 -3.481 6.671 655 HB2 PRO 81 HB2 PRO 81 -14.207 -4.486 7.407 656 HB3 PRO 81 HB1 PRO 81 -14.567 -4.076 5.728 657 HG2 PRO 81 HG2 PRO 81 -12.772 -2.738 7.622 658 HG3 PRO 81 HG1 PRO 81 -12.828 -2.623 5.859 659 HD2 PRO 81 HD2 PRO 81 -13.958 -0.820 7.841 660 HD3 PRO 81 HD1 PRO 81 -13.836 -0.604 6.085 661 HA PRO 82 HA PRO 82 -16.700 -2.897 11.161 662 HB2 PRO 82 HB2 PRO 82 -19.171 -3.911 11.595 663 HB3 PRO 82 HB1 PRO 82 -18.904 -2.251 11.058 664 HG2 PRO 82 HG2 PRO 82 -19.898 -4.585 9.542 665 HG3 PRO 82 HG1 PRO 82 -20.195 -2.861 9.278 666 HD2 PRO 82 HD2 PRO 82 -18.372 -4.520 7.877 667 HD3 PRO 82 HD1 PRO 82 -18.531 -2.759 7.748 668 H SER 83 HN SER 83 -15.239 -4.394 11.783 669 HA SER 83 HA SER 83 -16.159 -6.595 13.167 670 HB2 SER 83 HB2 SER 83 -15.001 -8.397 11.872 671 HB3 SER 83 HB1 SER 83 -16.359 -7.689 10.998 672 HG SER 83 HG SER 83 -14.789 -7.655 9.523 673 H GLN 84 HN GLN 84 -13.714 -5.059 11.400 674 HA GLN 84 HA GLN 84 -11.643 -5.661 13.330 675 HB2 GLN 84 HB2 GLN 84 -10.160 -5.068 11.620 676 HB3 GLN 84 HB1 GLN 84 -11.475 -5.914 10.828 677 HG2 GLN 84 HG2 GLN 84 -12.350 -3.951 9.915 678 HG3 GLN 84 HG1 GLN 84 -11.351 -2.930 10.950 679 HE21 GLN 84 HE21 GLN 84 -11.350 -5.056 8.169 680 HE22 GLN 84 HE22 GLN 84 -9.847 -4.534 7.533 681 H ASP 85 HN ASP 85 -13.665 -3.138 12.167 682 HA ASP 85 HA ASP 85 -12.268 -1.127 13.713 683 HB2 ASP 85 HB2 ASP 85 -13.018 -0.533 11.447 684 HB3 ASP 85 HB1 ASP 85 -14.678 -0.895 11.902 685 H SER 86 HN SER 86 -14.653 -3.369 14.104 686 HA SER 86 HA SER 86 -16.236 -1.769 15.972 687 HB2 SER 86 HB2 SER 86 -17.507 -2.873 14.187 688 HB3 SER 86 HB1 SER 86 -16.865 -4.437 14.686 689 HG SER 86 HG SER 86 -18.532 -2.712 16.216 690 H ALA 87 HN ALA 87 -14.575 -4.908 15.711 691 HA ALA 87 HA ALA 87 -15.125 -5.525 18.463 692 HB1 ALA 87 HB1 ALA 87 -13.334 -6.979 16.528 693 HB2 ALA 87 HB2 ALA 87 -15.059 -7.275 16.729 694 HB3 ALA 87 HB3 ALA 87 -13.951 -7.594 18.059 695 H THR 88 HN THR 88 -13.242 -3.326 17.317 696 HA THR 88 HA THR 88 -10.652 -3.838 18.297 697 HB THR 88 HB THR 88 -11.850 -1.091 18.072 698 HG1 THR 88 HG1 THR 88 -11.192 -2.919 16.003 699 HG21 THR 88 HG21 THR 88 -9.623 -0.493 17.273 700 HG22 THR 88 HG22 THR 88 -9.120 -2.180 17.378 701 HG23 THR 88 HG23 THR 88 -9.521 -1.287 18.845 702 H LEU 89 HN LEU 89 -13.568 -2.895 19.775 703 HA LEU 89 HA LEU 89 -12.185 -2.363 22.319 704 HB2 LEU 89 HB2 LEU 89 -14.810 -1.228 21.336 705 HB3 LEU 89 HB1 LEU 89 -14.166 -0.997 22.949 706 HG LEU 89 HG LEU 89 -12.882 -0.014 20.402 707 HD11 LEU 89 HD11 LEU 89 -14.926 1.197 20.930 708 HD12 LEU 89 HD12 LEU 89 -13.509 2.208 21.202 709 HD13 LEU 89 HD13 LEU 89 -14.348 1.479 22.571 710 HD21 LEU 89 HD21 LEU 89 -11.225 -0.532 22.096 711 HD22 LEU 89 HD22 LEU 89 -12.125 0.403 23.290 712 HD23 LEU 89 HD23 LEU 89 -11.384 1.214 21.911 713 H THR 90 HN THR 90 -14.119 -4.394 20.571 714 HA THR 90 HA THR 90 -15.726 -5.385 22.734 715 HB THR 90 HB THR 90 -15.204 -6.829 20.145 716 HG1 THR 90 HG1 THR 90 -17.200 -5.589 19.498 717 HG21 THR 90 HG21 THR 90 -17.484 -7.653 20.474 718 HG22 THR 90 HG22 THR 90 -17.627 -6.696 21.947 719 HG23 THR 90 HG23 THR 90 -16.475 -8.030 21.871 720 H LYS 91 HN LYS 91 -12.651 -5.988 21.365 721 HA LYS 91 HA LYS 91 -12.228 -8.177 23.287 722 HB2 LYS 91 HB2 LYS 91 -11.109 -7.832 20.510 723 HB3 LYS 91 HB1 LYS 91 -10.306 -8.842 21.700 724 HG2 LYS 91 HG2 LYS 91 -11.596 -10.292 20.375 725 HG3 LYS 91 HG1 LYS 91 -12.471 -10.123 21.894 726 HD2 LYS 91 HD2 LYS 91 -13.990 -8.531 20.874 727 HD3 LYS 91 HD1 LYS 91 -13.072 -8.595 19.370 728 HE2 LYS 91 HE2 LYS 91 -15.072 -9.961 19.199 729 HE3 LYS 91 HE1 LYS 91 -13.629 -10.969 19.133 730 HZ1 LYS 91 HZ1 LYS 91 -15.353 -11.920 20.547 731 HZ2 LYS 91 HZ2 LYS 91 -15.315 -10.556 21.546 732 HZ3 LYS 91 HZ3 LYS 91 -13.964 -11.562 21.437 733 H ASP 92 HN ASP 92 -11.313 -5.143 22.081 734 HA ASP 92 HA ASP 92 -9.950 -3.511 22.851 735 HB2 ASP 92 HB2 ASP 92 -10.449 -4.214 25.132 736 HB3 ASP 92 HB1 ASP 92 -9.208 -5.460 25.039 737 H ALA 93 HN ALA 93 -8.560 -6.724 22.602 738 HA ALA 93 HA ALA 93 -6.376 -5.609 21.040 739 HB1 ALA 93 HB1 ALA 93 -4.642 -6.783 22.287 740 HB2 ALA 93 HB2 ALA 93 -5.845 -7.354 23.443 741 HB3 ALA 93 HB3 ALA 93 -5.485 -5.633 23.324 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 19.235 0.198 -0.193 2 H2 MET 1 HT2 MET 1 20.872 -0.231 -0.170 3 H3 MET 1 HT3 MET 1 20.152 0.435 1.207 4 HA MET 1 HA MET 1 19.520 -2.194 0.005 5 HB2 MET 1 HB2 MET 1 21.681 -2.056 1.241 6 HB3 MET 1 HB1 MET 1 20.803 -1.496 2.656 7 HG2 MET 1 HG2 MET 1 19.609 -3.602 2.780 8 HG3 MET 1 HG1 MET 1 20.420 -4.165 1.320 9 HE1 MET 1 HE1 MET 1 21.976 -2.079 4.303 10 HE2 MET 1 HE2 MET 1 22.550 -3.384 5.340 11 HE3 MET 1 HE3 MET 1 20.821 -3.164 5.075 12 H VAL 2 HN VAL 2 17.735 -3.255 0.874 13 HA VAL 2 HA VAL 2 16.172 -1.865 2.892 14 HB VAL 2 HB VAL 2 15.179 -0.829 1.084 15 HG11 VAL 2 HG11 VAL 2 16.413 -1.904 -0.656 16 HG12 VAL 2 HG12 VAL 2 14.697 -1.992 -1.053 17 HG13 VAL 2 HG13 VAL 2 15.528 -3.405 -0.405 18 HG21 VAL 2 HG21 VAL 2 13.508 -3.318 0.947 19 HG22 VAL 2 HG22 VAL 2 12.994 -1.628 0.941 20 HG23 VAL 2 HG23 VAL 2 13.569 -2.366 2.432 21 H THR 3 HN THR 3 15.091 -3.158 4.146 22 HA THR 3 HA THR 3 14.561 -5.929 3.331 23 HB THR 3 HB THR 3 14.211 -6.398 5.748 24 HG1 THR 3 HG1 THR 3 15.406 -4.532 7.010 25 HG21 THR 3 HG21 THR 3 16.576 -6.350 6.402 26 HG22 THR 3 HG22 THR 3 16.917 -5.235 5.079 27 HG23 THR 3 HG23 THR 3 16.380 -6.879 4.731 28 H LYS 4 HN LYS 4 12.435 -6.751 3.874 29 HA LYS 4 HA LYS 4 10.284 -4.960 3.496 30 HB2 LYS 4 HB2 LYS 4 9.954 -7.267 2.936 31 HB3 LYS 4 HB1 LYS 4 10.427 -7.788 4.548 32 HG2 LYS 4 HG2 LYS 4 8.403 -6.639 5.442 33 HG3 LYS 4 HG1 LYS 4 7.920 -6.333 3.772 34 HD2 LYS 4 HD2 LYS 4 7.312 -8.473 3.400 35 HD3 LYS 4 HD1 LYS 4 8.639 -9.123 4.364 36 HE2 LYS 4 HE2 LYS 4 6.491 -9.659 5.371 37 HE3 LYS 4 HE1 LYS 4 7.420 -8.585 6.409 38 HZ1 LYS 4 HZ1 LYS 4 5.048 -8.000 6.220 39 HZ2 LYS 4 HZ2 LYS 4 5.274 -7.670 4.578 40 HZ3 LYS 4 HZ3 LYS 4 6.084 -6.746 5.749 41 H GLU 5 HN GLU 5 12.188 -5.846 6.127 42 HA GLU 5 HA GLU 5 10.299 -5.550 8.222 43 HB2 GLU 5 HB2 GLU 5 13.300 -5.640 8.142 44 HB3 GLU 5 HB1 GLU 5 12.391 -5.535 9.650 45 HG2 GLU 5 HG2 GLU 5 11.330 -7.662 9.172 46 HG3 GLU 5 HG1 GLU 5 12.162 -7.747 7.620 47 H GLN 6 HN GLN 6 12.711 -3.515 6.773 48 HA GLN 6 HA GLN 6 12.137 -1.304 8.502 49 HB2 GLN 6 HB2 GLN 6 13.602 -0.023 6.996 50 HB3 GLN 6 HB1 GLN 6 14.369 -1.490 7.578 51 HG2 GLN 6 HG2 GLN 6 14.918 -1.820 5.453 52 HG3 GLN 6 HG1 GLN 6 13.238 -2.310 5.230 53 HE21 GLN 6 HE21 GLN 6 11.786 -0.845 4.276 54 HE22 GLN 6 HE22 GLN 6 12.343 0.523 3.368 55 H VAL 7 HN VAL 7 10.880 -2.622 5.602 56 HA VAL 7 HA VAL 7 9.719 -0.254 4.488 57 HB VAL 7 HB VAL 7 9.162 -3.204 4.129 58 HG11 VAL 7 HG11 VAL 7 7.780 -0.958 2.680 59 HG12 VAL 7 HG12 VAL 7 7.044 -1.989 3.907 60 HG13 VAL 7 HG13 VAL 7 7.583 -2.684 2.379 61 HG21 VAL 7 HG21 VAL 7 9.991 -2.789 1.858 62 HG22 VAL 7 HG22 VAL 7 11.185 -2.365 3.085 63 HG23 VAL 7 HG23 VAL 7 10.263 -1.098 2.275 64 H GLU 8 HN GLU 8 8.762 -2.788 6.602 65 HA GLU 8 HA GLU 8 6.116 -2.297 7.145 66 HB2 GLU 8 HB2 GLU 8 8.248 -3.824 8.092 67 HB3 GLU 8 HB1 GLU 8 7.650 -2.953 9.502 68 HG2 GLU 8 HG2 GLU 8 6.592 -5.155 9.252 69 HG3 GLU 8 HG1 GLU 8 5.432 -3.829 9.190 70 H ALA 9 HN ALA 9 8.993 -0.996 8.763 71 HA ALA 9 HA ALA 9 7.412 0.571 10.583 72 HB1 ALA 9 HB1 ALA 9 9.564 -0.370 11.280 73 HB2 ALA 9 HB2 ALA 9 9.562 1.388 11.410 74 HB3 ALA 9 HB3 ALA 9 10.387 0.604 10.062 75 H SER 10 HN SER 10 8.854 0.894 7.490 76 HA SER 10 HA SER 10 9.148 3.767 7.566 77 HB2 SER 10 HB2 SER 10 9.103 1.834 5.243 78 HB3 SER 10 HB1 SER 10 9.398 3.564 5.069 79 HG SER 10 HG SER 10 10.925 1.766 6.653 80 H LEU 11 HN LEU 11 6.826 1.626 5.955 81 HA LEU 11 HA LEU 11 5.275 3.828 5.020 82 HB2 LEU 11 HB2 LEU 11 4.911 0.857 4.990 83 HB3 LEU 11 HB1 LEU 11 3.625 1.923 4.462 84 HG LEU 11 HG LEU 11 4.810 1.156 2.528 85 HD11 LEU 11 HD11 LEU 11 5.507 3.235 1.525 86 HD12 LEU 11 HD12 LEU 11 5.667 3.980 3.113 87 HD13 LEU 11 HD13 LEU 11 4.079 3.493 2.526 88 HD21 LEU 11 HD21 LEU 11 6.919 0.539 3.641 89 HD22 LEU 11 HD22 LEU 11 7.338 2.248 3.756 90 HD23 LEU 11 HD23 LEU 11 7.178 1.483 2.175 91 H THR 12 HN THR 12 5.074 1.692 7.809 92 HA THR 12 HA THR 12 2.463 2.417 8.614 93 HB THR 12 HB THR 12 4.796 1.561 10.349 94 HG1 THR 12 HG1 THR 12 4.437 -0.115 9.007 95 HG21 THR 12 HG21 THR 12 2.985 2.554 11.668 96 HG22 THR 12 HG22 THR 12 3.085 0.813 11.936 97 HG23 THR 12 HG23 THR 12 1.825 1.472 10.894 98 H SER 13 HN SER 13 5.395 4.148 8.602 99 HA SER 13 HA SER 13 4.593 5.985 10.719 100 HB2 SER 13 HB2 SER 13 7.058 5.846 8.985 101 HB3 SER 13 HB1 SER 13 6.800 7.059 10.239 102 HG SER 13 HG SER 13 7.348 4.326 10.468 103 H LYS 14 HN LYS 14 4.998 5.910 7.222 104 HA LYS 14 HA LYS 14 4.470 8.759 7.012 105 HB2 LYS 14 HB2 LYS 14 6.259 7.844 5.646 106 HB3 LYS 14 HB1 LYS 14 5.166 6.652 4.959 107 HG2 LYS 14 HG2 LYS 14 3.916 8.402 3.843 108 HG3 LYS 14 HG1 LYS 14 4.942 9.630 4.584 109 HD2 LYS 14 HD2 LYS 14 6.044 7.445 2.838 110 HD3 LYS 14 HD1 LYS 14 5.476 8.979 2.184 111 HE2 LYS 14 HE2 LYS 14 7.091 10.188 3.520 112 HE3 LYS 14 HE1 LYS 14 7.607 8.695 4.299 113 HZ1 LYS 14 HZ1 LYS 14 8.537 7.914 2.289 114 HZ2 LYS 14 HZ2 LYS 14 9.065 9.513 2.457 115 HZ3 LYS 14 HZ3 LYS 14 7.820 9.144 1.375 116 H LEU 15 HN LEU 15 2.897 5.740 6.755 117 HA LEU 15 HA LEU 15 0.621 6.963 5.329 118 HB2 LEU 15 HB2 LEU 15 1.471 4.075 5.461 119 HB3 LEU 15 HB1 LEU 15 0.055 4.669 4.605 120 HG LEU 15 HG LEU 15 2.960 5.009 3.915 121 HD11 LEU 15 HD11 LEU 15 0.566 4.049 2.365 122 HD12 LEU 15 HD12 LEU 15 1.837 3.042 3.059 123 HD13 LEU 15 HD13 LEU 15 2.213 4.160 1.747 124 HD21 LEU 15 HD21 LEU 15 2.051 7.226 3.738 125 HD22 LEU 15 HD22 LEU 15 0.654 6.624 2.842 126 HD23 LEU 15 HD23 LEU 15 2.263 6.554 2.119 127 H LYS 16 HN LYS 16 1.711 5.839 8.233 128 HA LYS 16 HA LYS 16 0.769 5.631 10.257 129 HB2 LYS 16 HB2 LYS 16 -1.812 6.328 8.843 130 HB3 LYS 16 HB1 LYS 16 -1.628 6.208 10.587 131 HG2 LYS 16 HG2 LYS 16 -0.111 8.066 10.617 132 HG3 LYS 16 HG1 LYS 16 -0.082 8.126 8.853 133 HD2 LYS 16 HD2 LYS 16 -2.501 8.638 8.871 134 HD3 LYS 16 HD1 LYS 16 -2.459 8.657 10.634 135 HE2 LYS 16 HE2 LYS 16 -0.793 10.454 8.876 136 HE3 LYS 16 HE1 LYS 16 -2.346 10.913 9.573 137 HZ1 LYS 16 HZ1 LYS 16 0.039 10.101 11.146 138 HZ2 LYS 16 HZ2 LYS 16 -1.436 10.648 11.767 139 HZ3 LYS 16 HZ3 LYS 16 -0.449 11.698 10.882 140 HA PRO 17 HA PRO 17 -0.479 1.419 10.356 141 HB2 PRO 17 HB2 PRO 17 -1.544 1.569 13.021 142 HB3 PRO 17 HB1 PRO 17 0.042 0.992 12.510 143 HG2 PRO 17 HG2 PRO 17 -0.377 3.275 13.984 144 HG3 PRO 17 HG1 PRO 17 1.047 2.982 12.973 145 HD2 PRO 17 HD2 PRO 17 -1.391 4.612 12.391 146 HD3 PRO 17 HD1 PRO 17 0.307 4.937 11.991 147 H ILE 18 HN ILE 18 -2.417 2.630 8.949 148 HA ILE 18 HA ILE 18 -4.997 2.110 10.186 149 HB ILE 18 HB ILE 18 -4.528 2.692 7.270 150 HG12 ILE 18 HG12 ILE 18 -3.366 4.427 8.593 151 HG13 ILE 18 HG11 ILE 18 -4.768 5.081 7.754 152 HG21 ILE 18 HG21 ILE 18 -6.858 3.219 9.117 153 HG22 ILE 18 HG22 ILE 18 -6.763 1.956 7.890 154 HG23 ILE 18 HG23 ILE 18 -6.787 3.652 7.409 155 HD11 ILE 18 HD11 ILE 18 -4.626 4.353 10.671 156 HD12 ILE 18 HD12 ILE 18 -6.045 4.985 9.837 157 HD13 ILE 18 HD13 ILE 18 -4.599 5.980 9.992 158 H HIS 19 HN HIS 19 -3.979 1.165 6.937 159 HA HIS 19 HA HIS 19 -4.038 -1.655 7.675 160 HB2 HIS 19 HB2 HIS 19 -6.308 -1.244 6.870 161 HB3 HIS 19 HB1 HIS 19 -5.679 -0.476 5.421 162 HD1 HIS 19 HD1 HIS 19 -6.113 -3.872 7.002 163 HD2 HIS 19 HD2 HIS 19 -5.000 -2.198 3.363 164 HE1 HIS 19 HE1 HIS 19 -6.094 -5.766 5.351 165 HE2 HIS 19 HE2 HIS 19 -5.574 -4.701 3.139 166 H LEU 20 HN LEU 20 -1.937 -1.917 7.317 167 HA LEU 20 HA LEU 20 -0.931 -1.404 4.594 168 HB2 LEU 20 HB2 LEU 20 0.086 0.159 6.211 169 HB3 LEU 20 HB1 LEU 20 0.573 -1.205 7.200 170 HG LEU 20 HG LEU 20 1.926 -1.990 5.188 171 HD11 LEU 20 HD11 LEU 20 2.653 -0.173 3.684 172 HD12 LEU 20 HD12 LEU 20 1.390 0.853 4.366 173 HD13 LEU 20 HD13 LEU 20 0.960 -0.615 3.488 174 HD21 LEU 20 HD21 LEU 20 3.809 -0.604 5.805 175 HD22 LEU 20 HD22 LEU 20 2.889 -1.056 7.240 176 HD23 LEU 20 HD23 LEU 20 2.729 0.565 6.562 177 H GLU 21 HN GLU 21 -0.302 -3.199 3.640 178 HA GLU 21 HA GLU 21 0.809 -5.404 5.183 179 HB2 GLU 21 HB2 GLU 21 -1.460 -5.708 3.194 180 HB3 GLU 21 HB1 GLU 21 -0.570 -7.038 3.913 181 HG2 GLU 21 HG2 GLU 21 -2.263 -5.059 5.422 182 HG3 GLU 21 HG1 GLU 21 -2.756 -6.686 4.959 183 H VAL 22 HN VAL 22 2.812 -5.091 4.273 184 HA VAL 22 HA VAL 22 2.971 -5.096 1.353 185 HB VAL 22 HB VAL 22 5.260 -4.412 1.542 186 HG11 VAL 22 HG11 VAL 22 3.380 -2.897 3.339 187 HG12 VAL 22 HG12 VAL 22 3.772 -2.587 1.646 188 HG13 VAL 22 HG13 VAL 22 4.979 -2.293 2.895 189 HG21 VAL 22 HG21 VAL 22 6.382 -4.059 3.679 190 HG22 VAL 22 HG22 VAL 22 5.901 -5.746 3.500 191 HG23 VAL 22 HG23 VAL 22 4.968 -4.667 4.538 192 H ILE 23 HN ILE 23 3.835 -6.757 0.231 193 HA ILE 23 HA ILE 23 4.843 -9.043 1.740 194 HB ILE 23 HB ILE 23 2.898 -9.402 -0.523 195 HG12 ILE 23 HG12 ILE 23 2.181 -9.479 2.409 196 HG13 ILE 23 HG11 ILE 23 1.873 -8.091 1.376 197 HG21 ILE 23 HG21 ILE 23 4.325 -11.295 0.065 198 HG22 ILE 23 HG22 ILE 23 2.635 -11.631 0.436 199 HG23 ILE 23 HG23 ILE 23 3.754 -11.209 1.731 200 HD11 ILE 23 HD11 ILE 23 0.737 -10.852 1.014 201 HD12 ILE 23 HD12 ILE 23 0.429 -9.469 -0.032 202 HD13 ILE 23 HD13 ILE 23 -0.118 -9.445 1.643 203 H ASP 24 HN ASP 24 6.845 -9.000 0.968 204 HA ASP 24 HA ASP 24 7.766 -8.403 -1.587 205 HB2 ASP 24 HB2 ASP 24 9.394 -8.683 0.141 206 HB3 ASP 24 HB1 ASP 24 8.861 -10.330 0.466 207 H ILE 25 HN ILE 25 6.896 -9.184 -3.356 208 HA ILE 25 HA ILE 25 6.908 -12.108 -3.701 209 HB ILE 25 HB ILE 25 5.058 -10.227 -5.189 210 HG12 ILE 25 HG12 ILE 25 4.432 -10.224 -2.816 211 HG13 ILE 25 HG11 ILE 25 3.232 -11.076 -3.781 212 HG21 ILE 25 HG21 ILE 25 3.882 -12.295 -5.801 213 HG22 ILE 25 HG22 ILE 25 5.092 -13.232 -4.926 214 HG23 ILE 25 HG23 ILE 25 5.557 -12.304 -6.352 215 HD11 ILE 25 HD11 ILE 25 5.354 -12.307 -2.050 216 HD12 ILE 25 HD12 ILE 25 4.245 -13.210 -3.084 217 HD13 ILE 25 HD13 ILE 25 3.619 -12.262 -1.735 218 H SER 26 HN SER 26 9.195 -10.877 -4.084 219 HA SER 26 HA SER 26 9.532 -11.006 -6.966 220 HB2 SER 26 HB2 SER 26 10.799 -8.851 -6.984 221 HB3 SER 26 HB1 SER 26 9.071 -8.666 -6.676 222 HG SER 26 HG SER 26 9.475 -7.986 -4.713 223 H GLY 27 HN GLY 27 11.642 -9.554 -4.499 224 HA2 GLY 27 HA2 GLY 27 13.703 -11.465 -5.350 225 HA3 GLY 27 HA1 GLY 27 13.977 -9.946 -4.500 226 H GLY 28 HN GLY 28 14.535 -10.153 -2.447 227 HA2 GLY 28 HA2 GLY 28 13.223 -12.356 -0.993 228 HA3 GLY 28 HA1 GLY 28 14.908 -11.940 -0.704 229 H CYS 29 HN CYS 29 14.944 -9.311 -0.570 230 HA CYS 29 HA CYS 29 13.469 -8.939 1.959 231 HB2 CYS 29 HB2 CYS 29 16.225 -7.948 1.236 232 HB3 CYS 29 HB1 CYS 29 15.413 -7.706 2.779 233 HG CYS 29 HG CYS 29 15.282 -10.799 2.696 234 H GLY 30 HN GLY 30 14.689 -7.521 -0.987 235 HA2 GLY 30 HA2 GLY 30 14.298 -4.854 0.128 236 HA3 GLY 30 HA1 GLY 30 15.433 -5.309 -1.140 237 H SER 31 HN SER 31 12.972 -7.070 -1.967 238 HA SER 31 HA SER 31 12.920 -5.149 -4.069 239 HB2 SER 31 HB2 SER 31 12.786 -8.112 -4.076 240 HB3 SER 31 HB1 SER 31 12.577 -7.166 -5.526 241 HG SER 31 HG SER 31 14.808 -6.615 -3.959 242 H SER 32 HN SER 32 11.170 -5.883 -5.711 243 HA SER 32 HA SER 32 9.093 -4.272 -5.207 244 HB2 SER 32 HB2 SER 32 9.575 -5.189 -7.421 245 HB3 SER 32 HB1 SER 32 8.976 -6.765 -6.912 246 HG SER 32 HG SER 32 6.956 -6.049 -6.974 247 H PHE 33 HN PHE 33 7.644 -4.211 -3.697 248 HA PHE 33 HA PHE 33 6.711 -6.710 -2.491 249 HB2 PHE 33 HB2 PHE 33 6.386 -3.893 -1.444 250 HB3 PHE 33 HB1 PHE 33 6.067 -5.391 -0.574 251 HD1 PHE 33 HD2 PHE 33 7.908 -6.852 0.083 252 HD2 PHE 33 HD1 PHE 33 8.589 -3.037 -1.657 253 HE1 PHE 33 HE2 PHE 33 10.252 -6.923 0.830 254 HE2 PHE 33 HE1 PHE 33 10.928 -3.111 -0.932 255 HZ PHE 33 HZ PHE 33 11.767 -5.051 0.298 256 H GLU 34 HN GLU 34 4.521 -7.064 -2.165 257 HA GLU 34 HA GLU 34 2.744 -5.412 -3.822 258 HB2 GLU 34 HB2 GLU 34 2.278 -8.129 -2.576 259 HB3 GLU 34 HB1 GLU 34 1.226 -7.310 -3.717 260 HG2 GLU 34 HG2 GLU 34 4.062 -8.107 -4.359 261 HG3 GLU 34 HG1 GLU 34 2.655 -9.135 -4.682 262 H VAL 35 HN VAL 35 1.951 -3.768 -2.632 263 HA VAL 35 HA VAL 35 1.450 -4.263 0.216 264 HB VAL 35 HB VAL 35 3.051 -2.492 -0.279 265 HG11 VAL 35 HG11 VAL 35 2.406 -0.421 -1.341 266 HG12 VAL 35 HG12 VAL 35 0.777 -1.038 -1.601 267 HG13 VAL 35 HG13 VAL 35 2.140 -1.773 -2.445 268 HG21 VAL 35 HG21 VAL 35 2.029 -0.718 1.085 269 HG22 VAL 35 HG22 VAL 35 1.767 -2.330 1.753 270 HG23 VAL 35 HG23 VAL 35 0.465 -1.510 0.896 271 H GLU 36 HN GLU 36 -0.425 -3.894 1.183 272 HA GLU 36 HA GLU 36 -2.711 -2.941 -0.416 273 HB2 GLU 36 HB2 GLU 36 -2.877 -4.476 2.181 274 HB3 GLU 36 HB1 GLU 36 -4.132 -4.253 0.973 275 HG2 GLU 36 HG2 GLU 36 -1.674 -5.739 0.214 276 HG3 GLU 36 HG1 GLU 36 -2.865 -6.533 1.240 277 H VAL 37 HN VAL 37 -2.908 -0.769 0.084 278 HA VAL 37 HA VAL 37 -2.669 -0.057 2.923 279 HB VAL 37 HB VAL 37 -2.234 1.828 0.611 280 HG11 VAL 37 HG11 VAL 37 -1.349 3.341 2.296 281 HG12 VAL 37 HG12 VAL 37 -1.684 2.150 3.552 282 HG13 VAL 37 HG13 VAL 37 -3.015 2.886 2.657 283 HG21 VAL 37 HG21 VAL 37 -0.436 0.229 0.593 284 HG22 VAL 37 HG22 VAL 37 -0.196 0.431 2.327 285 HG23 VAL 37 HG23 VAL 37 0.159 1.762 1.228 286 H VAL 38 HN VAL 38 -4.478 0.746 3.831 287 HA VAL 38 HA VAL 38 -6.122 2.401 2.122 288 HB VAL 38 HB VAL 38 -8.056 1.715 2.995 289 HG11 VAL 38 HG11 VAL 38 -7.183 -0.254 2.015 290 HG12 VAL 38 HG12 VAL 38 -8.157 -0.692 3.420 291 HG13 VAL 38 HG13 VAL 38 -6.398 -0.703 3.528 292 HG21 VAL 38 HG21 VAL 38 -6.737 1.072 5.598 293 HG22 VAL 38 HG22 VAL 38 -8.428 0.717 5.249 294 HG23 VAL 38 HG23 VAL 38 -7.856 2.384 5.240 295 H SER 39 HN SER 39 -5.629 4.413 2.529 296 HA SER 39 HA SER 39 -5.415 5.317 5.263 297 HB2 SER 39 HB2 SER 39 -3.124 4.515 4.571 298 HB3 SER 39 HB1 SER 39 -3.119 5.819 3.384 299 HG SER 39 HG SER 39 -2.516 5.936 5.977 300 H GLU 40 HN GLU 40 -4.890 7.657 5.298 301 HA GLU 40 HA GLU 40 -7.215 8.872 4.384 302 HB2 GLU 40 HB2 GLU 40 -6.203 10.951 5.294 303 HB3 GLU 40 HB1 GLU 40 -6.149 9.574 6.379 304 HG2 GLU 40 HG2 GLU 40 -3.825 9.191 5.839 305 HG3 GLU 40 HG1 GLU 40 -3.861 10.519 4.683 306 H GLN 41 HN GLN 41 -4.550 8.303 2.468 307 HA GLN 41 HA GLN 41 -4.684 10.888 1.059 308 HB2 GLN 41 HB2 GLN 41 -3.086 8.558 0.037 309 HB3 GLN 41 HB1 GLN 41 -2.786 10.275 -0.182 310 HG2 GLN 41 HG2 GLN 41 -1.121 9.560 1.279 311 HG3 GLN 41 HG1 GLN 41 -2.317 10.340 2.318 312 HE21 GLN 41 HE21 GLN 41 -1.997 9.245 4.152 313 HE22 GLN 41 HE22 GLN 41 -2.281 7.544 4.331 314 H PHE 42 HN PHE 42 -6.347 8.191 1.200 315 HA PHE 42 HA PHE 42 -6.969 8.093 -1.667 316 HB2 PHE 42 HB2 PHE 42 -7.341 6.030 0.514 317 HB3 PHE 42 HB1 PHE 42 -7.725 5.788 -1.192 318 HD1 PHE 42 HD2 PHE 42 -5.192 7.286 -2.199 319 HD2 PHE 42 HD1 PHE 42 -5.816 4.228 0.703 320 HE1 PHE 42 HE2 PHE 42 -2.896 6.470 -2.549 321 HE2 PHE 42 HE1 PHE 42 -3.528 3.426 0.361 322 HZ PHE 42 HZ PHE 42 -2.063 4.543 -1.268 323 H GLU 43 HN GLU 43 -8.008 9.868 0.601 324 HA GLU 43 HA GLU 43 -10.628 8.788 1.236 325 HB2 GLU 43 HB2 GLU 43 -9.347 10.066 2.912 326 HB3 GLU 43 HB1 GLU 43 -9.477 11.501 1.903 327 HG2 GLU 43 HG2 GLU 43 -11.928 11.397 2.112 328 HG3 GLU 43 HG1 GLU 43 -11.758 10.010 3.186 329 H GLY 44 HN GLY 44 -12.274 8.886 -0.124 330 HA2 GLY 44 HA2 GLY 44 -13.798 9.691 -1.652 331 HA3 GLY 44 HA1 GLY 44 -13.274 11.309 -1.196 332 H LYS 45 HN LYS 45 -10.821 9.250 -2.191 333 HA LYS 45 HA LYS 45 -10.234 10.998 -4.390 334 HB2 LYS 45 HB2 LYS 45 -8.791 8.866 -2.848 335 HB3 LYS 45 HB1 LYS 45 -8.094 9.631 -4.243 336 HG2 LYS 45 HG2 LYS 45 -8.995 11.052 -1.761 337 HG3 LYS 45 HG1 LYS 45 -7.321 10.617 -2.134 338 HD2 LYS 45 HD2 LYS 45 -7.443 12.025 -4.165 339 HD3 LYS 45 HD1 LYS 45 -9.074 12.510 -3.703 340 HE2 LYS 45 HE2 LYS 45 -7.426 14.196 -3.056 341 HE3 LYS 45 HE1 LYS 45 -8.217 13.492 -1.647 342 HZ1 LYS 45 HZ1 LYS 45 -6.293 12.103 -1.280 343 HZ2 LYS 45 HZ2 LYS 45 -5.818 13.724 -1.343 344 HZ3 LYS 45 HZ3 LYS 45 -5.540 12.712 -2.665 345 H ARG 46 HN ARG 46 -9.709 10.244 -6.488 346 HA ARG 46 HA ARG 46 -11.012 7.762 -7.253 347 HB2 ARG 46 HB2 ARG 46 -9.514 9.766 -8.957 348 HB3 ARG 46 HB1 ARG 46 -10.497 8.441 -9.548 349 HG2 ARG 46 HG2 ARG 46 -11.468 10.863 -8.047 350 HG3 ARG 46 HG1 ARG 46 -11.679 10.534 -9.765 351 HD2 ARG 46 HD2 ARG 46 -13.694 9.781 -9.069 352 HD3 ARG 46 HD1 ARG 46 -12.778 8.310 -8.750 353 HE ARG 46 HE ARG 46 -12.994 10.245 -6.580 354 HH11 ARG 46 HH11 ARG 46 -14.099 7.232 -7.987 355 HH12 ARG 46 HH12 ARG 46 -14.836 6.672 -6.521 356 HH21 ARG 46 HH21 ARG 46 -13.977 9.520 -4.659 357 HH22 ARG 46 HH22 ARG 46 -14.781 7.980 -4.630 358 H LEU 47 HN LEU 47 -9.966 5.979 -7.945 359 HA LEU 47 HA LEU 47 -7.791 5.152 -6.562 360 HB2 LEU 47 HB2 LEU 47 -9.044 4.127 -9.056 361 HB3 LEU 47 HB1 LEU 47 -7.562 3.390 -8.484 362 HG LEU 47 HG LEU 47 -8.726 2.981 -6.284 363 HD11 LEU 47 HD11 LEU 47 -11.175 3.715 -7.877 364 HD12 LEU 47 HD12 LEU 47 -10.511 4.626 -6.520 365 HD13 LEU 47 HD13 LEU 47 -11.156 3.006 -6.263 366 HD21 LEU 47 HD21 LEU 47 -9.876 1.688 -8.750 367 HD22 LEU 47 HD22 LEU 47 -9.957 1.036 -7.114 368 HD23 LEU 47 HD23 LEU 47 -8.397 1.214 -7.916 369 H LEU 48 HN LEU 48 -7.667 6.696 -9.676 370 HA LEU 48 HA LEU 48 -4.970 5.969 -10.239 371 HB2 LEU 48 HB2 LEU 48 -6.856 7.982 -11.423 372 HB3 LEU 48 HB1 LEU 48 -5.168 7.960 -11.889 373 HG LEU 48 HG LEU 48 -5.491 5.543 -12.561 374 HD11 LEU 48 HD11 LEU 48 -8.409 6.248 -12.330 375 HD12 LEU 48 HD12 LEU 48 -7.543 5.139 -11.269 376 HD13 LEU 48 HD13 LEU 48 -7.735 4.755 -12.980 377 HD21 LEU 48 HD21 LEU 48 -7.104 7.643 -13.998 378 HD22 LEU 48 HD22 LEU 48 -6.553 6.117 -14.689 379 HD23 LEU 48 HD23 LEU 48 -5.378 7.336 -14.193 380 H GLU 49 HN GLU 49 -6.543 8.892 -9.022 381 HA GLU 49 HA GLU 49 -4.154 10.357 -8.560 382 HB2 GLU 49 HB2 GLU 49 -6.492 10.837 -6.792 383 HB3 GLU 49 HB1 GLU 49 -5.509 11.987 -7.685 384 HG2 GLU 49 HG2 GLU 49 -7.634 10.213 -8.846 385 HG3 GLU 49 HG1 GLU 49 -7.811 11.929 -8.482 386 H ARG 50 HN ARG 50 -6.007 7.999 -6.847 387 HA ARG 50 HA ARG 50 -4.913 8.152 -4.289 388 HB2 ARG 50 HB2 ARG 50 -6.018 5.892 -5.950 389 HB3 ARG 50 HB1 ARG 50 -5.424 5.614 -4.306 390 HG2 ARG 50 HG2 ARG 50 -7.063 7.382 -3.560 391 HG3 ARG 50 HG1 ARG 50 -7.732 7.327 -5.190 392 HD2 ARG 50 HD2 ARG 50 -7.911 4.777 -4.772 393 HD3 ARG 50 HD1 ARG 50 -7.727 5.204 -3.075 394 HE ARG 50 HE ARG 50 -9.734 6.798 -4.253 395 HH11 ARG 50 HH11 ARG 50 -9.184 3.515 -3.153 396 HH12 ARG 50 HH12 ARG 50 -10.871 3.206 -2.871 397 HH21 ARG 50 HH21 ARG 50 -11.923 6.384 -3.902 398 HH22 ARG 50 HH22 ARG 50 -12.427 4.842 -3.288 399 H HIS 51 HN HIS 51 -3.928 6.146 -7.058 400 HA HIS 51 HA HIS 51 -1.649 5.075 -5.719 401 HB2 HIS 51 HB2 HIS 51 -2.266 5.193 -8.680 402 HB3 HIS 51 HB1 HIS 51 -0.975 4.243 -7.961 403 HD1 HIS 51 HD1 HIS 51 -3.972 3.577 -9.448 404 HD2 HIS 51 HD2 HIS 51 -2.518 2.610 -5.689 405 HE1 HIS 51 HE1 HIS 51 -5.273 1.572 -8.685 406 HE2 HIS 51 HE2 HIS 51 -4.479 1.096 -6.366 407 H ARG 52 HN ARG 52 -2.190 7.758 -7.877 408 HA ARG 52 HA ARG 52 0.513 8.323 -8.488 409 HB2 ARG 52 HB2 ARG 52 -1.532 9.092 -9.742 410 HB3 ARG 52 HB1 ARG 52 -1.823 10.239 -8.444 411 HG2 ARG 52 HG2 ARG 52 0.375 11.265 -8.918 412 HG3 ARG 52 HG1 ARG 52 0.548 10.168 -10.290 413 HD2 ARG 52 HD2 ARG 52 -1.583 12.254 -9.888 414 HD3 ARG 52 HD1 ARG 52 -0.282 12.283 -11.077 415 HE ARG 52 HE ARG 52 -1.725 9.958 -11.529 416 HH11 ARG 52 HH11 ARG 52 -2.303 13.410 -11.611 417 HH12 ARG 52 HH12 ARG 52 -3.542 13.298 -12.819 418 HH21 ARG 52 HH21 ARG 52 -3.351 9.807 -13.106 419 HH22 ARG 52 HH22 ARG 52 -4.124 11.248 -13.686 420 H MET 53 HN MET 53 -1.337 8.739 -5.698 421 HA MET 53 HA MET 53 0.142 11.094 -4.829 422 HB2 MET 53 HB2 MET 53 -2.353 10.918 -4.573 423 HB3 MET 53 HB1 MET 53 -2.087 9.633 -3.412 424 HG2 MET 53 HG2 MET 53 -2.494 11.591 -2.165 425 HG3 MET 53 HG1 MET 53 -0.770 11.258 -2.035 426 HE1 MET 53 HE1 MET 53 0.952 14.239 -3.543 427 HE2 MET 53 HE2 MET 53 0.977 12.530 -3.965 428 HE3 MET 53 HE3 MET 53 0.947 13.017 -2.272 429 H VAL 54 HN VAL 54 -0.472 7.757 -3.978 430 HA VAL 54 HA VAL 54 1.077 7.768 -1.608 431 HB VAL 54 HB VAL 54 -0.675 6.052 -2.753 432 HG11 VAL 54 HG11 VAL 54 0.917 5.092 -4.295 433 HG12 VAL 54 HG12 VAL 54 0.401 3.895 -3.107 434 HG13 VAL 54 HG13 VAL 54 1.979 4.666 -2.953 435 HG21 VAL 54 HG21 VAL 54 -0.336 6.220 -0.395 436 HG22 VAL 54 HG22 VAL 54 1.282 5.535 -0.533 437 HG23 VAL 54 HG23 VAL 54 -0.129 4.527 -0.848 438 H ASN 55 HN ASN 55 1.717 6.928 -4.961 439 HA ASN 55 HA ASN 55 4.375 6.031 -4.370 440 HB2 ASN 55 HB2 ASN 55 4.677 5.577 -6.593 441 HB3 ASN 55 HB1 ASN 55 2.941 5.342 -6.420 442 HD21 ASN 55 HD21 ASN 55 2.249 8.103 -6.364 443 HD22 ASN 55 HD22 ASN 55 2.569 8.780 -7.922 444 H ALA 56 HN ALA 56 2.898 9.037 -4.866 445 HA ALA 56 HA ALA 56 5.116 10.489 -5.811 446 HB1 ALA 56 HB1 ALA 56 4.032 12.464 -4.880 447 HB2 ALA 56 HB2 ALA 56 2.944 11.439 -3.944 448 HB3 ALA 56 HB3 ALA 56 2.853 11.444 -5.705 449 H ALA 57 HN ALA 57 4.045 9.532 -2.625 450 HA ALA 57 HA ALA 57 6.325 10.792 -1.329 451 HB1 ALA 57 HB1 ALA 57 4.008 9.244 -0.180 452 HB2 ALA 57 HB2 ALA 57 4.079 10.997 -0.356 453 HB3 ALA 57 HB3 ALA 57 5.195 10.177 0.734 454 H LEU 58 HN LEU 58 5.761 8.031 -2.932 455 HA LEU 58 HA LEU 58 7.433 6.353 -1.186 456 HB2 LEU 58 HB2 LEU 58 4.888 5.847 -2.577 457 HB3 LEU 58 HB1 LEU 58 6.085 4.588 -2.741 458 HG LEU 58 HG LEU 58 6.139 4.258 -0.342 459 HD11 LEU 58 HD11 LEU 58 4.164 6.532 -0.181 460 HD12 LEU 58 HD12 LEU 58 5.840 6.579 0.365 461 HD13 LEU 58 HD13 LEU 58 4.683 5.513 1.161 462 HD21 LEU 58 HD21 LEU 58 3.288 4.480 -1.286 463 HD22 LEU 58 HD22 LEU 58 3.896 3.439 -0.000 464 HD23 LEU 58 HD23 LEU 58 4.379 3.152 -1.671 465 H GLU 59 HN GLU 59 7.438 8.119 -3.815 466 HA GLU 59 HA GLU 59 8.554 6.472 -5.830 467 HB2 GLU 59 HB2 GLU 59 7.581 8.618 -6.406 468 HB3 GLU 59 HB1 GLU 59 8.695 9.455 -5.327 469 HG2 GLU 59 HG2 GLU 59 9.300 9.750 -7.662 470 HG3 GLU 59 HG1 GLU 59 10.560 8.908 -6.766 471 H GLU 60 HN GLU 60 9.786 8.291 -3.160 472 HA GLU 60 HA GLU 60 12.567 8.009 -3.629 473 HB2 GLU 60 HB2 GLU 60 11.557 8.047 -0.840 474 HB3 GLU 60 HB1 GLU 60 12.784 9.051 -1.595 475 HG2 GLU 60 HG2 GLU 60 11.074 10.416 -2.636 476 HG3 GLU 60 HG1 GLU 60 9.803 9.374 -1.974 477 H GLU 61 HN GLU 61 10.059 6.197 -2.113 478 HA GLU 61 HA GLU 61 11.680 4.291 -0.782 479 HB2 GLU 61 HB2 GLU 61 9.193 5.112 -0.448 480 HB3 GLU 61 HB1 GLU 61 8.842 3.782 -1.543 481 HG2 GLU 61 HG2 GLU 61 8.600 2.997 0.703 482 HG3 GLU 61 HG1 GLU 61 10.041 2.254 0.009 483 H MET 62 HN MET 62 9.937 4.450 -3.831 484 HA MET 62 HA MET 62 10.340 1.766 -4.609 485 HB2 MET 62 HB2 MET 62 9.822 4.244 -6.255 486 HB3 MET 62 HB1 MET 62 9.866 2.620 -6.924 487 HG2 MET 62 HG2 MET 62 8.003 1.976 -5.477 488 HG3 MET 62 HG1 MET 62 7.956 3.611 -4.821 489 HE1 MET 62 HE1 MET 62 7.347 1.336 -7.939 490 HE2 MET 62 HE2 MET 62 8.566 2.450 -8.555 491 HE3 MET 62 HE3 MET 62 6.919 2.510 -9.182 492 H LYS 63 HN LYS 63 12.297 4.643 -4.827 493 HA LYS 63 HA LYS 63 14.190 3.582 -6.669 494 HB2 LYS 63 HB2 LYS 63 14.341 5.851 -4.693 495 HB3 LYS 63 HB1 LYS 63 15.684 5.417 -5.740 496 HG2 LYS 63 HG2 LYS 63 14.190 5.776 -7.695 497 HG3 LYS 63 HG1 LYS 63 12.960 6.375 -6.580 498 HD2 LYS 63 HD2 LYS 63 14.457 8.144 -5.847 499 HD3 LYS 63 HD1 LYS 63 15.733 7.521 -6.891 500 HE2 LYS 63 HE2 LYS 63 14.679 9.419 -7.942 501 HE3 LYS 63 HE1 LYS 63 14.308 7.958 -8.852 502 HZ1 LYS 63 HZ1 LYS 63 12.134 7.889 -7.836 503 HZ2 LYS 63 HZ2 LYS 63 12.374 9.405 -8.552 504 HZ3 LYS 63 HZ3 LYS 63 12.500 9.237 -6.877 505 H GLU 64 HN GLU 64 13.610 3.058 -3.341 506 HA GLU 64 HA GLU 64 16.308 2.101 -2.807 507 HB2 GLU 64 HB2 GLU 64 15.085 3.295 -1.038 508 HB3 GLU 64 HB1 GLU 64 13.822 2.075 -1.085 509 HG2 GLU 64 HG2 GLU 64 15.164 1.599 0.793 510 HG3 GLU 64 HG1 GLU 64 15.559 0.393 -0.429 511 H ILE 65 HN ILE 65 13.097 0.918 -3.339 512 HA ILE 65 HA ILE 65 13.979 -1.875 -3.116 513 HB ILE 65 HB ILE 65 11.711 -2.498 -2.854 514 HG12 ILE 65 HG12 ILE 65 11.226 -0.064 -4.361 515 HG13 ILE 65 HG11 ILE 65 10.247 -1.509 -4.228 516 HG21 ILE 65 HG21 ILE 65 12.633 -1.508 -0.866 517 HG22 ILE 65 HG22 ILE 65 10.927 -1.082 -0.982 518 HG23 ILE 65 HG23 ILE 65 12.164 0.104 -1.400 519 HD11 ILE 65 HD11 ILE 65 9.000 0.422 -3.494 520 HD12 ILE 65 HD12 ILE 65 10.238 0.788 -2.290 521 HD13 ILE 65 HD13 ILE 65 9.278 -0.685 -2.150 522 H HIS 66 HN HIS 66 12.201 -3.122 -4.892 523 HA HIS 66 HA HIS 66 13.173 -2.033 -7.424 524 HB2 HIS 66 HB2 HIS 66 13.216 -4.507 -7.001 525 HB3 HIS 66 HB1 HIS 66 11.456 -4.485 -7.068 526 HD1 HIS 66 HD1 HIS 66 14.182 -3.031 -9.287 527 HD2 HIS 66 HD2 HIS 66 10.674 -5.208 -9.549 528 HE1 HIS 66 HE1 HIS 66 13.759 -3.364 -11.723 529 HE2 HIS 66 HE2 HIS 66 11.554 -4.548 -11.873 530 H ALA 67 HN ALA 67 10.241 -2.290 -5.599 531 HA ALA 67 HA ALA 67 8.798 -0.371 -6.947 532 HB1 ALA 67 HB1 ALA 67 8.145 -3.182 -7.839 533 HB2 ALA 67 HB2 ALA 67 8.781 -1.887 -8.853 534 HB3 ALA 67 HB3 ALA 67 7.160 -1.756 -8.169 535 H LEU 68 HN LEU 68 6.907 0.015 -5.809 536 HA LEU 68 HA LEU 68 6.115 -2.046 -3.874 537 HB2 LEU 68 HB2 LEU 68 6.879 0.437 -3.219 538 HB3 LEU 68 HB1 LEU 68 5.171 0.730 -3.534 539 HG LEU 68 HG LEU 68 4.640 -1.113 -1.904 540 HD11 LEU 68 HD11 LEU 68 7.510 -0.760 -1.083 541 HD12 LEU 68 HD12 LEU 68 6.899 -2.135 -1.997 542 HD13 LEU 68 HD13 LEU 68 6.311 -1.836 -0.363 543 HD21 LEU 68 HD21 LEU 68 5.057 0.287 0.081 544 HD22 LEU 68 HD22 LEU 68 4.383 1.195 -1.270 545 HD23 LEU 68 HD23 LEU 68 6.102 1.320 -0.897 546 H SER 69 HN SER 69 4.605 -3.121 -4.891 547 HA SER 69 HA SER 69 2.885 -1.907 -6.823 548 HB2 SER 69 HB2 SER 69 3.561 -4.066 -7.391 549 HB3 SER 69 HB1 SER 69 3.363 -4.669 -5.751 550 HG SER 69 HG SER 69 1.571 -5.402 -6.479 551 H ILE 70 HN ILE 70 1.531 -0.506 -5.865 552 HA ILE 70 HA ILE 70 0.126 -1.189 -3.451 553 HB ILE 70 HB ILE 70 0.885 1.079 -3.686 554 HG12 ILE 70 HG12 ILE 70 -1.303 2.353 -3.537 555 HG13 ILE 70 HG11 ILE 70 -2.110 0.827 -3.877 556 HG21 ILE 70 HG21 ILE 70 1.046 1.311 -6.052 557 HG22 ILE 70 HG22 ILE 70 0.019 2.602 -5.427 558 HG23 ILE 70 HG23 ILE 70 -0.706 1.209 -6.230 559 HD11 ILE 70 HD11 ILE 70 -1.112 -0.152 -1.891 560 HD12 ILE 70 HD12 ILE 70 -2.041 1.294 -1.499 561 HD13 ILE 70 HD13 ILE 70 -0.280 1.366 -1.555 562 H LYS 71 HN LYS 71 -0.948 -2.975 -4.120 563 HA LYS 71 HA LYS 71 -2.606 -3.025 -6.441 564 HB2 LYS 71 HB2 LYS 71 -2.997 -4.880 -4.113 565 HB3 LYS 71 HB1 LYS 71 -3.189 -5.209 -5.829 566 HG2 LYS 71 HG2 LYS 71 -0.724 -5.006 -6.078 567 HG3 LYS 71 HG1 LYS 71 -0.617 -4.854 -4.322 568 HD2 LYS 71 HD2 LYS 71 -0.207 -7.131 -4.808 569 HD3 LYS 71 HD1 LYS 71 -1.852 -7.058 -4.185 570 HE2 LYS 71 HE2 LYS 71 -1.758 -8.525 -6.105 571 HE3 LYS 71 HE1 LYS 71 -2.695 -7.086 -6.500 572 HZ1 LYS 71 HZ1 LYS 71 -1.012 -7.856 -8.199 573 HZ2 LYS 71 HZ2 LYS 71 0.188 -7.306 -7.135 574 HZ3 LYS 71 HZ3 LYS 71 -0.950 -6.222 -7.771 575 H LYS 72 HN LYS 72 -3.015 -2.202 -3.126 576 HA LYS 72 HA LYS 72 -5.843 -1.633 -3.620 577 HB2 LYS 72 HB2 LYS 72 -4.629 -3.169 -1.394 578 HB3 LYS 72 HB1 LYS 72 -5.937 -2.065 -0.994 579 HG2 LYS 72 HG2 LYS 72 -6.905 -4.190 -1.367 580 HG3 LYS 72 HG1 LYS 72 -7.299 -3.169 -2.759 581 HD2 LYS 72 HD2 LYS 72 -5.750 -4.267 -4.139 582 HD3 LYS 72 HD1 LYS 72 -4.927 -5.014 -2.769 583 HE2 LYS 72 HE2 LYS 72 -7.722 -5.640 -3.708 584 HE3 LYS 72 HE1 LYS 72 -6.291 -6.633 -3.986 585 HZ1 LYS 72 HZ1 LYS 72 -6.057 -6.730 -1.509 586 HZ2 LYS 72 HZ2 LYS 72 -7.407 -7.541 -2.136 587 HZ3 LYS 72 HZ3 LYS 72 -7.598 -6.034 -1.399 588 H ALA 73 HN ALA 73 -6.167 0.332 -3.547 589 HA ALA 73 HA ALA 73 -4.939 1.957 -1.426 590 HB1 ALA 73 HB1 ALA 73 -5.546 2.853 -4.250 591 HB2 ALA 73 HB2 ALA 73 -3.939 2.562 -3.584 592 HB3 ALA 73 HB3 ALA 73 -4.932 3.877 -2.952 593 H GLN 74 HN GLN 74 -6.638 1.893 -0.066 594 HA GLN 74 HA GLN 74 -9.211 2.942 -1.064 595 HB2 GLN 74 HB2 GLN 74 -8.925 0.630 0.865 596 HB3 GLN 74 HB1 GLN 74 -10.422 1.266 0.199 597 HG2 GLN 74 HG2 GLN 74 -9.798 0.525 -2.014 598 HG3 GLN 74 HG1 GLN 74 -8.233 -0.022 -1.417 599 HE21 GLN 74 HE21 GLN 74 -11.624 -0.679 -1.587 600 HE22 GLN 74 HE22 GLN 74 -11.551 -2.297 -0.986 601 H THR 75 HN THR 75 -10.592 3.842 0.674 602 HA THR 75 HA THR 75 -9.091 4.541 3.081 603 HB THR 75 HB THR 75 -11.177 6.325 2.985 604 HG1 THR 75 HG1 THR 75 -10.056 6.741 0.500 605 HG21 THR 75 HG21 THR 75 -8.885 6.772 3.722 606 HG22 THR 75 HG22 THR 75 -9.439 7.983 2.569 607 HG23 THR 75 HG23 THR 75 -8.337 6.712 2.049 608 HA PRO 76 HA PRO 76 -11.879 2.408 5.720 609 HB2 PRO 76 HB2 PRO 76 -11.779 4.898 7.349 610 HB3 PRO 76 HB1 PRO 76 -11.502 3.221 7.831 611 HG2 PRO 76 HG2 PRO 76 -9.453 4.871 7.506 612 HG3 PRO 76 HG1 PRO 76 -9.350 3.187 6.957 613 HD2 PRO 76 HD2 PRO 76 -9.755 5.679 5.364 614 HD3 PRO 76 HD1 PRO 76 -8.824 4.223 4.968 615 H GLN 77 HN GLN 77 -12.771 5.469 4.319 616 HA GLN 77 HA GLN 77 -15.421 5.407 5.467 617 HB2 GLN 77 HB2 GLN 77 -15.652 7.496 4.723 618 HB3 GLN 77 HB1 GLN 77 -13.965 7.395 4.252 619 HG2 GLN 77 HG2 GLN 77 -15.896 6.386 2.282 620 HG3 GLN 77 HG1 GLN 77 -15.927 8.131 2.576 621 HE21 GLN 77 HE21 GLN 77 -13.263 5.973 2.839 622 HE22 GLN 77 HE22 GLN 77 -12.360 6.579 1.489 623 H GLN 78 HN GLN 78 -13.965 4.184 2.523 624 HA GLN 78 HA GLN 78 -16.579 3.134 1.684 625 HB2 GLN 78 HB2 GLN 78 -13.911 2.816 0.330 626 HB3 GLN 78 HB1 GLN 78 -15.487 2.452 -0.360 627 HG2 GLN 78 HG2 GLN 78 -15.584 4.510 -1.189 628 HG3 GLN 78 HG1 GLN 78 -15.461 5.176 0.447 629 HE21 GLN 78 HE21 GLN 78 -12.961 4.031 0.997 630 HE22 GLN 78 HE22 GLN 78 -11.785 4.969 0.140 631 H TRP 79 HN TRP 79 -13.570 2.371 3.119 632 HA TRP 79 HA TRP 79 -13.849 -0.480 3.107 633 HB2 TRP 79 HB2 TRP 79 -11.883 1.431 3.848 634 HB3 TRP 79 HB1 TRP 79 -12.243 0.469 5.278 635 HD1 TRP 79 HD1 TRP 79 -11.622 -0.362 1.547 636 HE1 TRP 79 HE1 TRP 79 -10.006 -2.345 1.454 637 HE3 TRP 79 HE3 TRP 79 -10.995 -1.106 6.547 638 HZ2 TRP 79 HZ2 TRP 79 -8.613 -4.027 3.286 639 HZ3 TRP 79 HZ3 TRP 79 -9.517 -2.917 7.298 640 HH2 TRP 79 HH2 TRP 79 -8.356 -4.346 5.699 641 H LYS 80 HN LYS 80 -15.496 1.956 4.499 642 HA LYS 80 HA LYS 80 -15.887 1.458 7.132 643 HB2 LYS 80 HB2 LYS 80 -17.607 2.493 4.995 644 HB3 LYS 80 HB1 LYS 80 -18.476 1.898 6.408 645 HG2 LYS 80 HG2 LYS 80 -17.109 3.363 7.832 646 HG3 LYS 80 HG1 LYS 80 -16.301 3.978 6.394 647 HD2 LYS 80 HD2 LYS 80 -17.983 5.554 6.974 648 HD3 LYS 80 HD1 LYS 80 -18.560 4.686 5.550 649 HE2 LYS 80 HE2 LYS 80 -20.361 4.938 7.149 650 HE3 LYS 80 HE1 LYS 80 -19.917 3.241 7.010 651 HZ1 LYS 80 HZ1 LYS 80 -18.629 3.458 9.051 652 HZ2 LYS 80 HZ2 LYS 80 -20.247 3.870 9.309 653 HZ3 LYS 80 HZ3 LYS 80 -19.076 5.083 9.181 654 HA PRO 81 HA PRO 81 -18.960 -2.281 6.361 655 HB2 PRO 81 HB2 PRO 81 -18.365 -3.623 4.017 656 HB3 PRO 81 HB1 PRO 81 -19.747 -2.546 4.238 657 HG2 PRO 81 HG2 PRO 81 -17.088 -1.990 2.990 658 HG3 PRO 81 HG1 PRO 81 -18.702 -1.460 2.478 659 HD2 PRO 81 HD2 PRO 81 -17.036 0.199 3.759 660 HD3 PRO 81 HD1 PRO 81 -18.786 0.233 4.063 661 HA PRO 82 HA PRO 82 -15.043 -4.157 7.544 662 HB2 PRO 82 HB2 PRO 82 -15.761 -4.900 10.006 663 HB3 PRO 82 HB1 PRO 82 -15.494 -3.202 9.598 664 HG2 PRO 82 HG2 PRO 82 -18.041 -4.664 10.033 665 HG3 PRO 82 HG1 PRO 82 -17.653 -2.962 10.332 666 HD2 PRO 82 HD2 PRO 82 -19.007 -4.052 8.085 667 HD3 PRO 82 HD1 PRO 82 -18.464 -2.377 8.305 668 H SER 83 HN SER 83 -14.226 -6.221 7.678 669 HA SER 83 HA SER 83 -16.068 -8.435 8.052 670 HB2 SER 83 HB2 SER 83 -14.938 -9.628 6.094 671 HB3 SER 83 HB1 SER 83 -16.050 -8.327 5.676 672 HG SER 83 HG SER 83 -14.346 -6.999 5.233 673 H GLN 84 HN GLN 84 -13.931 -7.063 9.472 674 HA GLN 84 HA GLN 84 -12.235 -9.361 10.093 675 HB2 GLN 84 HB2 GLN 84 -11.186 -6.574 9.565 676 HB3 GLN 84 HB1 GLN 84 -10.238 -7.927 10.144 677 HG2 GLN 84 HG2 GLN 84 -10.599 -9.115 8.071 678 HG3 GLN 84 HG1 GLN 84 -11.641 -7.814 7.492 679 HE21 GLN 84 HE21 GLN 84 -10.719 -5.834 6.938 680 HE22 GLN 84 HE22 GLN 84 -9.037 -5.677 6.613 681 H ASP 85 HN ASP 85 -12.691 -5.936 10.931 682 HA ASP 85 HA ASP 85 -12.087 -6.373 13.691 683 HB2 ASP 85 HB2 ASP 85 -11.546 -4.249 12.585 684 HB3 ASP 85 HB1 ASP 85 -13.252 -3.970 12.266 685 H SER 86 HN SER 86 -14.731 -6.775 11.763 686 HA SER 86 HA SER 86 -16.761 -6.303 13.762 687 HB2 SER 86 HB2 SER 86 -18.282 -7.075 11.956 688 HB3 SER 86 HB1 SER 86 -17.200 -5.786 11.421 689 HG SER 86 HG SER 86 -17.366 -8.398 10.591 690 H ALA 87 HN ALA 87 -14.774 -8.870 12.630 691 HA ALA 87 HA ALA 87 -16.531 -10.895 13.810 692 HB1 ALA 87 HB1 ALA 87 -14.199 -11.273 11.936 693 HB2 ALA 87 HB2 ALA 87 -15.900 -11.262 11.469 694 HB3 ALA 87 HB3 ALA 87 -15.283 -12.537 12.519 695 H THR 88 HN THR 88 -14.399 -8.994 15.004 696 HA THR 88 HA THR 88 -12.681 -10.977 16.271 697 HB THR 88 HB THR 88 -11.693 -8.812 15.510 698 HG1 THR 88 HG1 THR 88 -11.453 -8.894 18.320 699 HG21 THR 88 HG21 THR 88 -13.521 -7.304 16.059 700 HG22 THR 88 HG22 THR 88 -12.053 -6.812 16.903 701 HG23 THR 88 HG23 THR 88 -13.327 -7.664 17.775 702 H LEU 89 HN LEU 89 -15.700 -10.117 16.665 703 HA LEU 89 HA LEU 89 -15.656 -10.146 19.602 704 HB2 LEU 89 HB2 LEU 89 -17.901 -9.392 17.711 705 HB3 LEU 89 HB1 LEU 89 -18.046 -9.465 19.453 706 HG LEU 89 HG LEU 89 -17.847 -7.189 18.961 707 HD11 LEU 89 HD11 LEU 89 -15.070 -8.108 19.668 708 HD12 LEU 89 HD12 LEU 89 -16.407 -7.881 20.795 709 HD13 LEU 89 HD13 LEU 89 -15.737 -6.497 19.935 710 HD21 LEU 89 HD21 LEU 89 -17.164 -7.357 16.646 711 HD22 LEU 89 HD22 LEU 89 -15.546 -7.860 17.136 712 HD23 LEU 89 HD23 LEU 89 -16.114 -6.234 17.514 713 H THR 90 HN THR 90 -15.986 -11.887 16.844 714 HA THR 90 HA THR 90 -17.881 -13.855 17.677 715 HB THR 90 HB THR 90 -15.707 -14.248 15.623 716 HG1 THR 90 HG1 THR 90 -18.221 -12.934 15.264 717 HG21 THR 90 HG21 THR 90 -17.421 -15.618 14.509 718 HG22 THR 90 HG22 THR 90 -18.541 -15.275 15.828 719 HG23 THR 90 HG23 THR 90 -17.074 -16.205 16.136 720 H LYS 91 HN LYS 91 -14.746 -13.088 18.529 721 HA LYS 91 HA LYS 91 -14.461 -15.551 20.014 722 HB2 LYS 91 HB2 LYS 91 -12.013 -15.712 19.185 723 HB3 LYS 91 HB1 LYS 91 -13.300 -16.374 18.194 724 HG2 LYS 91 HG2 LYS 91 -11.803 -15.251 16.746 725 HG3 LYS 91 HG1 LYS 91 -13.248 -14.250 16.863 726 HD2 LYS 91 HD2 LYS 91 -12.165 -12.684 18.260 727 HD3 LYS 91 HD1 LYS 91 -10.815 -13.778 18.568 728 HE2 LYS 91 HE2 LYS 91 -10.205 -13.626 16.172 729 HE3 LYS 91 HE1 LYS 91 -11.493 -12.448 15.948 730 HZ1 LYS 91 HZ1 LYS 91 -9.304 -11.421 16.246 731 HZ2 LYS 91 HZ2 LYS 91 -9.182 -12.107 17.790 732 HZ3 LYS 91 HZ3 LYS 91 -10.385 -10.955 17.460 733 H ASP 92 HN ASP 92 -14.522 -12.403 20.094 734 HA ASP 92 HA ASP 92 -13.953 -10.841 21.637 735 HB2 ASP 92 HB2 ASP 92 -14.217 -12.509 23.366 736 HB3 ASP 92 HB1 ASP 92 -12.614 -13.160 23.038 737 H ALA 93 HN ALA 93 -11.201 -12.986 21.057 738 HA ALA 93 HA ALA 93 -9.628 -11.032 19.778 739 HB1 ALA 93 HB1 ALA 93 -7.887 -10.679 21.455 740 HB2 ALA 93 HB2 ALA 93 -8.813 -11.612 22.631 741 HB3 ALA 93 HB3 ALA 93 -9.439 -10.075 22.037 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 20.392 -6.997 -2.009 2 H2 MET 1 HT2 MET 1 19.834 -5.400 -1.998 3 H3 MET 1 HT3 MET 1 18.757 -6.673 -2.280 4 HA MET 1 HA MET 1 19.009 -7.492 -0.080 5 HB2 MET 1 HB2 MET 1 21.048 -5.280 0.159 6 HB3 MET 1 HB1 MET 1 20.332 -6.068 1.557 7 HG2 MET 1 HG2 MET 1 21.943 -7.405 -0.603 8 HG3 MET 1 HG1 MET 1 22.491 -7.030 1.032 9 HE1 MET 1 HE1 MET 1 23.250 -9.561 1.328 10 HE2 MET 1 HE2 MET 1 22.677 -9.938 -0.297 11 HE3 MET 1 HE3 MET 1 22.181 -10.939 1.066 12 H VAL 2 HN VAL 2 17.074 -7.074 0.635 13 HA VAL 2 HA VAL 2 16.286 -4.387 1.368 14 HB VAL 2 HB VAL 2 15.694 -4.484 -1.019 15 HG11 VAL 2 HG11 VAL 2 13.970 -6.046 -1.795 16 HG12 VAL 2 HG12 VAL 2 14.012 -6.849 -0.225 17 HG13 VAL 2 HG13 VAL 2 15.435 -6.872 -1.269 18 HG21 VAL 2 HG21 VAL 2 13.325 -3.912 -0.832 19 HG22 VAL 2 HG22 VAL 2 14.274 -3.176 0.462 20 HG23 VAL 2 HG23 VAL 2 13.287 -4.602 0.790 21 H THR 3 HN THR 3 14.970 -4.472 3.141 22 HA THR 3 HA THR 3 13.906 -7.123 3.853 23 HB THR 3 HB THR 3 14.369 -4.906 5.833 24 HG1 THR 3 HG1 THR 3 16.271 -6.019 4.365 25 HG21 THR 3 HG21 THR 3 14.419 -7.918 6.072 26 HG22 THR 3 HG22 THR 3 13.076 -6.876 6.542 27 HG23 THR 3 HG23 THR 3 14.615 -6.767 7.395 28 H LYS 4 HN LYS 4 11.804 -7.281 4.623 29 HA LYS 4 HA LYS 4 9.920 -5.324 3.736 30 HB2 LYS 4 HB2 LYS 4 9.504 -7.802 3.743 31 HB3 LYS 4 HB1 LYS 4 9.469 -7.745 5.498 32 HG2 LYS 4 HG2 LYS 4 7.562 -6.159 5.351 33 HG3 LYS 4 HG1 LYS 4 7.561 -6.403 3.604 34 HD2 LYS 4 HD2 LYS 4 5.930 -7.889 4.381 35 HD3 LYS 4 HD1 LYS 4 7.355 -8.902 4.147 36 HE2 LYS 4 HE2 LYS 4 6.482 -9.550 6.225 37 HE3 LYS 4 HE1 LYS 4 7.848 -8.505 6.608 38 HZ1 LYS 4 HZ1 LYS 4 4.972 -7.783 6.684 39 HZ2 LYS 4 HZ2 LYS 4 6.222 -6.659 6.874 40 HZ3 LYS 4 HZ3 LYS 4 6.025 -7.911 7.998 41 H GLU 5 HN GLU 5 11.865 -5.612 6.365 42 HA GLU 5 HA GLU 5 9.993 -4.870 8.411 43 HB2 GLU 5 HB2 GLU 5 12.965 -5.322 8.388 44 HB3 GLU 5 HB1 GLU 5 12.098 -4.795 9.831 45 HG2 GLU 5 HG2 GLU 5 11.720 -7.367 8.316 46 HG3 GLU 5 HG1 GLU 5 12.416 -7.169 9.923 47 H GLN 6 HN GLN 6 12.377 -3.402 6.414 48 HA GLN 6 HA GLN 6 12.180 -0.862 7.734 49 HB2 GLN 6 HB2 GLN 6 13.498 0.009 5.881 50 HB3 GLN 6 HB1 GLN 6 14.235 -1.452 6.511 51 HG2 GLN 6 HG2 GLN 6 14.379 -2.075 4.386 52 HG3 GLN 6 HG1 GLN 6 12.652 -2.417 4.504 53 HE21 GLN 6 HE21 GLN 6 11.176 -0.861 3.694 54 HE22 GLN 6 HE22 GLN 6 11.666 0.328 2.534 55 H VAL 7 HN VAL 7 10.575 -2.635 5.227 56 HA VAL 7 HA VAL 7 9.314 -0.417 3.922 57 HB VAL 7 HB VAL 7 8.586 -3.359 4.013 58 HG11 VAL 7 HG11 VAL 7 6.647 -2.033 3.435 59 HG12 VAL 7 HG12 VAL 7 7.233 -2.913 2.025 60 HG13 VAL 7 HG13 VAL 7 7.570 -1.191 2.192 61 HG21 VAL 7 HG21 VAL 7 9.593 -3.459 1.785 62 HG22 VAL 7 HG22 VAL 7 10.761 -2.954 3.006 63 HG23 VAL 7 HG23 VAL 7 10.050 -1.762 1.918 64 H GLU 8 HN GLU 8 8.668 -2.567 6.480 65 HA GLU 8 HA GLU 8 5.969 -2.142 7.008 66 HB2 GLU 8 HB2 GLU 8 7.966 -3.742 7.823 67 HB3 GLU 8 HB1 GLU 8 7.847 -2.681 9.215 68 HG2 GLU 8 HG2 GLU 8 6.487 -4.800 9.341 69 HG3 GLU 8 HG1 GLU 8 5.635 -3.297 9.678 70 H ALA 9 HN ALA 9 8.901 -0.691 8.369 71 HA ALA 9 HA ALA 9 7.412 0.975 10.178 72 HB1 ALA 9 HB1 ALA 9 9.601 1.899 10.778 73 HB2 ALA 9 HB2 ALA 9 10.342 1.021 9.440 74 HB3 ALA 9 HB3 ALA 9 9.632 0.135 10.790 75 H SER 10 HN SER 10 8.560 1.053 6.976 76 HA SER 10 HA SER 10 8.747 3.941 6.802 77 HB2 SER 10 HB2 SER 10 8.805 1.797 4.680 78 HB3 SER 10 HB1 SER 10 8.970 3.518 4.329 79 HG SER 10 HG SER 10 10.686 1.835 5.816 80 H LEU 11 HN LEU 11 6.459 1.533 5.504 81 HA LEU 11 HA LEU 11 4.754 3.533 4.419 82 HB2 LEU 11 HB2 LEU 11 4.522 0.586 4.844 83 HB3 LEU 11 HB1 LEU 11 3.095 1.509 4.419 84 HG LEU 11 HG LEU 11 4.241 2.297 2.366 85 HD11 LEU 11 HD11 LEU 11 6.409 0.371 3.186 86 HD12 LEU 11 HD12 LEU 11 6.552 2.124 3.085 87 HD13 LEU 11 HD13 LEU 11 6.286 1.178 1.624 88 HD21 LEU 11 HD21 LEU 11 4.103 -0.692 2.696 89 HD22 LEU 11 HD22 LEU 11 4.105 0.177 1.161 90 HD23 LEU 11 HD23 LEU 11 2.763 0.377 2.288 91 H THR 12 HN THR 12 4.813 1.780 7.466 92 HA THR 12 HA THR 12 2.317 2.662 8.442 93 HB THR 12 HB THR 12 4.826 1.948 9.984 94 HG1 THR 12 HG1 THR 12 4.350 0.115 8.977 95 HG21 THR 12 HG21 THR 12 1.945 1.959 10.878 96 HG22 THR 12 HG22 THR 12 3.177 3.113 11.379 97 HG23 THR 12 HG23 THR 12 3.322 1.415 11.831 98 H SER 13 HN SER 13 5.284 4.290 7.969 99 HA SER 13 HA SER 13 4.738 6.330 9.972 100 HB2 SER 13 HB2 SER 13 7.050 5.447 9.615 101 HB3 SER 13 HB1 SER 13 7.021 6.156 8.000 102 HG SER 13 HG SER 13 7.775 7.333 10.191 103 H LYS 14 HN LYS 14 4.918 5.973 6.457 104 HA LYS 14 HA LYS 14 4.447 8.810 6.053 105 HB2 LYS 14 HB2 LYS 14 4.748 6.607 4.001 106 HB3 LYS 14 HB1 LYS 14 4.829 8.335 3.702 107 HG2 LYS 14 HG2 LYS 14 6.889 8.476 4.988 108 HG3 LYS 14 HG1 LYS 14 6.796 6.751 5.345 109 HD2 LYS 14 HD2 LYS 14 6.987 6.227 2.984 110 HD3 LYS 14 HD1 LYS 14 6.987 7.942 2.578 111 HE2 LYS 14 HE2 LYS 14 9.238 7.326 2.494 112 HE3 LYS 14 HE1 LYS 14 9.061 8.107 4.063 113 HZ1 LYS 14 HZ1 LYS 14 9.287 5.208 3.480 114 HZ2 LYS 14 HZ2 LYS 14 8.763 5.804 4.982 115 HZ3 LYS 14 HZ3 LYS 14 10.309 6.176 4.422 116 H LEU 15 HN LEU 15 2.752 5.832 6.125 117 HA LEU 15 HA LEU 15 0.455 7.038 4.729 118 HB2 LEU 15 HB2 LEU 15 1.356 4.167 4.864 119 HB3 LEU 15 HB1 LEU 15 -0.228 4.644 4.271 120 HG LEU 15 HG LEU 15 0.837 4.492 2.271 121 HD11 LEU 15 HD11 LEU 15 1.812 7.210 3.118 122 HD12 LEU 15 HD12 LEU 15 0.202 6.843 2.490 123 HD13 LEU 15 HD13 LEU 15 1.618 6.637 1.460 124 HD21 LEU 15 HD21 LEU 15 3.409 5.282 3.619 125 HD22 LEU 15 HD22 LEU 15 3.237 4.837 1.922 126 HD23 LEU 15 HD23 LEU 15 2.913 3.648 3.184 127 H LYS 16 HN LYS 16 1.648 6.096 7.631 128 HA LYS 16 HA LYS 16 0.741 6.287 9.690 129 HB2 LYS 16 HB2 LYS 16 -2.002 6.352 8.412 130 HB3 LYS 16 HB1 LYS 16 -1.602 6.797 10.063 131 HG2 LYS 16 HG2 LYS 16 -0.698 8.245 7.582 132 HG3 LYS 16 HG1 LYS 16 -1.991 8.756 8.665 133 HD2 LYS 16 HD2 LYS 16 -0.394 9.005 10.482 134 HD3 LYS 16 HD1 LYS 16 0.907 8.428 9.439 135 HE2 LYS 16 HE2 LYS 16 0.918 10.871 9.626 136 HE3 LYS 16 HE1 LYS 16 0.609 10.346 7.973 137 HZ1 LYS 16 HZ1 LYS 16 -1.468 11.223 9.905 138 HZ2 LYS 16 HZ2 LYS 16 -1.742 10.774 8.296 139 HZ3 LYS 16 HZ3 LYS 16 -0.845 12.165 8.647 140 HA PRO 17 HA PRO 17 0.122 2.044 10.528 141 HB2 PRO 17 HB2 PRO 17 -0.694 2.069 13.097 142 HB3 PRO 17 HB1 PRO 17 0.942 2.541 12.623 143 HG2 PRO 17 HG2 PRO 17 -1.416 4.266 13.265 144 HG3 PRO 17 HG1 PRO 17 0.276 4.457 13.757 145 HD2 PRO 17 HD2 PRO 17 -0.845 5.845 11.701 146 HD3 PRO 17 HD1 PRO 17 0.876 5.424 11.764 147 H ILE 18 HN ILE 18 -2.028 2.873 9.033 148 HA ILE 18 HA ILE 18 -4.431 1.974 10.416 149 HB ILE 18 HB ILE 18 -4.144 2.730 7.516 150 HG12 ILE 18 HG12 ILE 18 -4.982 4.562 9.770 151 HG13 ILE 18 HG11 ILE 18 -3.322 4.467 9.190 152 HG21 ILE 18 HG21 ILE 18 -6.516 2.705 9.392 153 HG22 ILE 18 HG22 ILE 18 -6.202 1.546 8.101 154 HG23 ILE 18 HG23 ILE 18 -6.546 3.231 7.708 155 HD11 ILE 18 HD11 ILE 18 -3.982 5.226 7.027 156 HD12 ILE 18 HD12 ILE 18 -4.591 6.348 8.244 157 HD13 ILE 18 HD13 ILE 18 -5.684 5.190 7.483 158 H HIS 19 HN HIS 19 -3.347 1.218 7.099 159 HA HIS 19 HA HIS 19 -3.245 -1.615 7.778 160 HB2 HIS 19 HB2 HIS 19 -5.611 -1.168 7.191 161 HB3 HIS 19 HB1 HIS 19 -5.085 -0.512 5.651 162 HD1 HIS 19 HD1 HIS 19 -5.225 -3.796 7.517 163 HD2 HIS 19 HD2 HIS 19 -4.799 -2.340 3.647 164 HE1 HIS 19 HE1 HIS 19 -5.532 -5.780 6.001 165 HE2 HIS 19 HE2 HIS 19 -5.363 -4.857 3.670 166 H LEU 20 HN LEU 20 -1.133 -1.654 7.247 167 HA LEU 20 HA LEU 20 -0.499 -1.242 4.386 168 HB2 LEU 20 HB2 LEU 20 1.587 -1.315 6.559 169 HB3 LEU 20 HB1 LEU 20 1.739 -0.691 4.938 170 HG LEU 20 HG LEU 20 1.839 1.171 6.363 171 HD11 LEU 20 HD11 LEU 20 0.496 1.665 4.472 172 HD12 LEU 20 HD12 LEU 20 -0.221 2.459 5.874 173 HD13 LEU 20 HD13 LEU 20 -0.936 0.978 5.237 174 HD21 LEU 20 HD21 LEU 20 1.018 0.147 8.399 175 HD22 LEU 20 HD22 LEU 20 -0.628 0.158 7.763 176 HD23 LEU 20 HD23 LEU 20 0.197 1.679 8.099 177 H GLU 21 HN GLU 21 -0.343 -3.179 3.430 178 HA GLU 21 HA GLU 21 0.726 -5.437 4.962 179 HB2 GLU 21 HB2 GLU 21 -1.584 -5.619 3.017 180 HB3 GLU 21 HB1 GLU 21 -0.914 -6.926 3.979 181 HG2 GLU 21 HG2 GLU 21 -2.373 -4.519 5.036 182 HG3 GLU 21 HG1 GLU 21 -3.029 -6.145 4.876 183 H VAL 22 HN VAL 22 2.667 -5.393 3.971 184 HA VAL 22 HA VAL 22 2.689 -5.506 1.052 185 HB VAL 22 HB VAL 22 5.096 -5.053 1.192 186 HG11 VAL 22 HG11 VAL 22 3.289 -3.174 2.702 187 HG12 VAL 22 HG12 VAL 22 3.659 -3.170 0.977 188 HG13 VAL 22 HG13 VAL 22 4.909 -2.747 2.144 189 HG21 VAL 22 HG21 VAL 22 6.145 -4.458 3.305 190 HG22 VAL 22 HG22 VAL 22 5.535 -6.111 3.373 191 HG23 VAL 22 HG23 VAL 22 4.649 -4.812 4.170 192 H ILE 23 HN ILE 23 2.888 -7.365 0.089 193 HA ILE 23 HA ILE 23 3.599 -9.732 1.589 194 HB ILE 23 HB ILE 23 2.794 -9.572 -1.301 195 HG12 ILE 23 HG12 ILE 23 1.050 -8.541 0.095 196 HG13 ILE 23 HG11 ILE 23 0.497 -10.064 -0.593 197 HG21 ILE 23 HG21 ILE 23 3.855 -11.654 -0.647 198 HG22 ILE 23 HG22 ILE 23 2.144 -11.916 -0.979 199 HG23 ILE 23 HG23 ILE 23 2.715 -11.833 0.687 200 HD11 ILE 23 HD11 ILE 23 -0.213 -9.839 1.711 201 HD12 ILE 23 HD12 ILE 23 1.461 -9.631 2.226 202 HD13 ILE 23 HD13 ILE 23 0.932 -11.171 1.546 203 H ASP 24 HN ASP 24 5.703 -9.354 1.861 204 HA ASP 24 HA ASP 24 7.619 -8.818 -0.120 205 HB2 ASP 24 HB2 ASP 24 8.268 -8.550 2.165 206 HB3 ASP 24 HB1 ASP 24 7.882 -10.227 2.536 207 H ILE 25 HN ILE 25 7.717 -9.977 -1.888 208 HA ILE 25 HA ILE 25 8.029 -12.896 -1.651 209 HB ILE 25 HB ILE 25 7.498 -11.234 -4.127 210 HG12 ILE 25 HG12 ILE 25 5.509 -13.033 -2.760 211 HG13 ILE 25 HG11 ILE 25 5.671 -11.339 -2.307 212 HG21 ILE 25 HG21 ILE 25 7.396 -14.217 -3.686 213 HG22 ILE 25 HG22 ILE 25 8.630 -13.341 -4.593 214 HG23 ILE 25 HG23 ILE 25 6.966 -13.381 -5.179 215 HD11 ILE 25 HD11 ILE 25 3.864 -11.667 -3.892 216 HD12 ILE 25 HD12 ILE 25 4.996 -12.369 -5.050 217 HD13 ILE 25 HD13 ILE 25 5.147 -10.673 -4.583 218 H SER 26 HN SER 26 9.285 -9.987 -3.166 219 HA SER 26 HA SER 26 11.202 -9.404 -4.106 220 HB2 SER 26 HB2 SER 26 12.116 -11.062 -1.812 221 HB3 SER 26 HB1 SER 26 13.290 -10.432 -2.964 222 HG SER 26 HG SER 26 11.322 -8.738 -1.911 223 H GLY 27 HN GLY 27 10.900 -10.080 -6.073 224 HA2 GLY 27 HA2 GLY 27 12.842 -12.050 -6.963 225 HA3 GLY 27 HA1 GLY 27 11.171 -12.356 -7.418 226 H GLY 28 HN GLY 28 12.072 -9.032 -7.134 227 HA2 GLY 28 HA2 GLY 28 11.731 -8.720 -10.015 228 HA3 GLY 28 HA1 GLY 28 11.874 -7.426 -8.827 229 H CYS 29 HN CYS 29 14.070 -7.010 -7.919 230 HA CYS 29 HA CYS 29 16.190 -8.375 -9.447 231 HB2 CYS 29 HB2 CYS 29 16.524 -5.953 -9.401 232 HB3 CYS 29 HB1 CYS 29 16.325 -5.920 -7.656 233 HG CYS 29 HG CYS 29 19.055 -6.354 -9.430 234 H GLY 30 HN GLY 30 16.222 -7.098 -6.159 235 HA2 GLY 30 HA2 GLY 30 15.721 -9.794 -5.124 236 HA3 GLY 30 HA1 GLY 30 16.282 -8.413 -4.164 237 H SER 31 HN SER 31 14.985 -6.586 -4.151 238 HA SER 31 HA SER 31 12.591 -6.637 -3.037 239 HB2 SER 31 HB2 SER 31 14.086 -4.681 -3.351 240 HB3 SER 31 HB1 SER 31 13.495 -4.533 -4.995 241 HG SER 31 HG SER 31 12.203 -3.977 -2.585 242 H SER 32 HN SER 32 10.854 -7.657 -3.671 243 HA SER 32 HA SER 32 9.322 -6.043 -5.525 244 HB2 SER 32 HB2 SER 32 8.149 -8.018 -6.481 245 HB3 SER 32 HB1 SER 32 9.857 -7.969 -6.922 246 HG SER 32 HG SER 32 8.662 -9.976 -5.902 247 H PHE 33 HN PHE 33 7.630 -5.301 -4.394 248 HA PHE 33 HA PHE 33 6.554 -6.998 -2.236 249 HB2 PHE 33 HB2 PHE 33 6.976 -4.009 -2.176 250 HB3 PHE 33 HB1 PHE 33 6.105 -4.920 -0.951 251 HD1 PHE 33 HD2 PHE 33 7.298 -6.484 0.511 252 HD2 PHE 33 HD1 PHE 33 9.354 -3.994 -2.257 253 HE1 PHE 33 HE2 PHE 33 9.404 -6.891 1.712 254 HE2 PHE 33 HE1 PHE 33 11.456 -4.401 -1.062 255 HZ PHE 33 HZ PHE 33 11.486 -5.848 0.925 256 H GLU 34 HN GLU 34 4.409 -7.173 -2.130 257 HA GLU 34 HA GLU 34 2.744 -5.538 -3.943 258 HB2 GLU 34 HB2 GLU 34 2.142 -8.247 -2.726 259 HB3 GLU 34 HB1 GLU 34 1.148 -7.387 -3.886 260 HG2 GLU 34 HG2 GLU 34 3.927 -8.405 -4.431 261 HG3 GLU 34 HG1 GLU 34 2.441 -9.242 -4.872 262 H VAL 35 HN VAL 35 1.757 -3.934 -2.818 263 HA VAL 35 HA VAL 35 1.287 -4.395 0.042 264 HB VAL 35 HB VAL 35 2.799 -2.535 -0.531 265 HG11 VAL 35 HG11 VAL 35 0.367 -1.235 -1.738 266 HG12 VAL 35 HG12 VAL 35 1.758 -1.844 -2.639 267 HG13 VAL 35 HG13 VAL 35 1.951 -0.492 -1.521 268 HG21 VAL 35 HG21 VAL 35 1.721 -0.844 0.901 269 HG22 VAL 35 HG22 VAL 35 1.600 -2.474 1.562 270 HG23 VAL 35 HG23 VAL 35 0.205 -1.740 0.774 271 H GLU 36 HN GLU 36 -0.628 -4.163 0.994 272 HA GLU 36 HA GLU 36 -2.864 -3.010 -0.545 273 HB2 GLU 36 HB2 GLU 36 -3.103 -4.808 1.880 274 HB3 GLU 36 HB1 GLU 36 -4.394 -4.283 0.814 275 HG2 GLU 36 HG2 GLU 36 -3.417 -5.622 -0.999 276 HG3 GLU 36 HG1 GLU 36 -2.169 -6.177 0.115 277 H VAL 37 HN VAL 37 -3.005 -0.908 0.096 278 HA VAL 37 HA VAL 37 -2.472 -0.310 2.904 279 HB VAL 37 HB VAL 37 -2.269 2.069 1.898 280 HG11 VAL 37 HG11 VAL 37 -0.472 0.821 3.021 281 HG12 VAL 37 HG12 VAL 37 0.129 1.787 1.676 282 HG13 VAL 37 HG13 VAL 37 -0.082 0.048 1.488 283 HG21 VAL 37 HG21 VAL 37 -1.547 0.419 -0.488 284 HG22 VAL 37 HG22 VAL 37 -1.355 2.163 -0.319 285 HG23 VAL 37 HG23 VAL 37 -2.968 1.451 -0.334 286 H VAL 38 HN VAL 38 -3.634 1.101 3.942 287 HA VAL 38 HA VAL 38 -6.008 2.294 2.732 288 HB VAL 38 HB VAL 38 -5.976 1.017 5.482 289 HG11 VAL 38 HG11 VAL 38 -7.309 3.036 5.447 290 HG12 VAL 38 HG12 VAL 38 -8.348 1.616 5.566 291 HG13 VAL 38 HG13 VAL 38 -8.180 2.459 4.027 292 HG21 VAL 38 HG21 VAL 38 -6.132 -0.651 3.700 293 HG22 VAL 38 HG22 VAL 38 -7.494 0.223 3.002 294 HG23 VAL 38 HG23 VAL 38 -7.650 -0.526 4.591 295 H SER 39 HN SER 39 -5.284 4.327 2.684 296 HA SER 39 HA SER 39 -4.288 5.512 5.158 297 HB2 SER 39 HB2 SER 39 -2.346 4.800 3.750 298 HB3 SER 39 HB1 SER 39 -2.944 5.849 2.466 299 HG SER 39 HG SER 39 -1.863 6.525 4.976 300 H GLU 40 HN GLU 40 -4.361 7.835 5.116 301 HA GLU 40 HA GLU 40 -6.902 8.730 4.300 302 HB2 GLU 40 HB2 GLU 40 -6.136 10.907 5.219 303 HB3 GLU 40 HB1 GLU 40 -5.866 9.549 6.301 304 HG2 GLU 40 HG2 GLU 40 -3.529 9.461 5.653 305 HG3 GLU 40 HG1 GLU 40 -3.784 10.793 4.526 306 H GLN 41 HN GLN 41 -4.367 8.276 2.348 307 HA GLN 41 HA GLN 41 -4.557 10.810 0.887 308 HB2 GLN 41 HB2 GLN 41 -2.603 8.554 0.891 309 HB3 GLN 41 HB1 GLN 41 -2.795 9.470 -0.599 310 HG2 GLN 41 HG2 GLN 41 -0.969 10.382 0.646 311 HG3 GLN 41 HG1 GLN 41 -2.293 11.540 0.650 312 HE21 GLN 41 HE21 GLN 41 -2.068 8.657 2.645 313 HE22 GLN 41 HE22 GLN 41 -1.956 9.493 4.150 314 H PHE 42 HN PHE 42 -6.271 8.239 1.163 315 HA PHE 42 HA PHE 42 -6.929 8.006 -1.694 316 HB2 PHE 42 HB2 PHE 42 -7.380 5.997 0.524 317 HB3 PHE 42 HB1 PHE 42 -7.706 5.739 -1.187 318 HD1 PHE 42 HD1 PHE 42 -5.112 7.098 -2.149 319 HD2 PHE 42 HD2 PHE 42 -5.901 4.158 0.828 320 HE1 PHE 42 HE1 PHE 42 -2.844 6.198 -2.432 321 HE2 PHE 42 HE2 PHE 42 -3.638 3.267 0.554 322 HZ PHE 42 HZ PHE 42 -2.108 4.283 -1.077 323 H GLU 43 HN GLU 43 -7.814 9.937 0.405 324 HA GLU 43 HA GLU 43 -10.344 8.914 1.431 325 HB2 GLU 43 HB2 GLU 43 -8.799 10.196 2.871 326 HB3 GLU 43 HB1 GLU 43 -9.017 11.599 1.836 327 HG2 GLU 43 HG2 GLU 43 -11.346 11.738 2.444 328 HG3 GLU 43 HG1 GLU 43 -11.213 10.258 3.396 329 H GLY 44 HN GLY 44 -12.121 8.985 0.213 330 HA2 GLY 44 HA2 GLY 44 -13.607 9.643 -1.410 331 HA3 GLY 44 HA1 GLY 44 -13.198 11.289 -0.948 332 H LYS 45 HN LYS 45 -10.589 9.388 -1.990 333 HA LYS 45 HA LYS 45 -10.197 11.167 -4.240 334 HB2 LYS 45 HB2 LYS 45 -8.421 9.023 -3.075 335 HB3 LYS 45 HB1 LYS 45 -7.943 10.208 -4.248 336 HG2 LYS 45 HG2 LYS 45 -8.828 10.869 -1.465 337 HG3 LYS 45 HG1 LYS 45 -7.152 10.800 -2.022 338 HD2 LYS 45 HD2 LYS 45 -7.636 12.577 -3.652 339 HD3 LYS 45 HD1 LYS 45 -9.296 12.658 -3.059 340 HE2 LYS 45 HE2 LYS 45 -8.454 13.278 -0.838 341 HE3 LYS 45 HE1 LYS 45 -6.805 13.230 -1.459 342 HZ1 LYS 45 HZ1 LYS 45 -7.679 15.484 -1.398 343 HZ2 LYS 45 HZ2 LYS 45 -8.952 15.042 -2.419 344 HZ3 LYS 45 HZ3 LYS 45 -7.363 15.006 -2.989 345 H ARG 46 HN ARG 46 -9.352 10.268 -6.266 346 HA ARG 46 HA ARG 46 -10.850 7.888 -7.028 347 HB2 ARG 46 HB2 ARG 46 -9.354 9.885 -8.730 348 HB3 ARG 46 HB1 ARG 46 -10.305 8.544 -9.340 349 HG2 ARG 46 HG2 ARG 46 -12.314 9.521 -8.345 350 HG3 ARG 46 HG1 ARG 46 -11.353 10.877 -7.757 351 HD2 ARG 46 HD2 ARG 46 -11.791 10.099 -10.637 352 HD3 ARG 46 HD1 ARG 46 -12.507 11.477 -9.807 353 HE ARG 46 HE ARG 46 -9.700 11.193 -10.614 354 HH11 ARG 46 HH11 ARG 46 -12.283 13.152 -9.304 355 HH12 ARG 46 HH12 ARG 46 -11.409 14.639 -9.460 356 HH21 ARG 46 HH21 ARG 46 -8.542 13.165 -10.824 357 HH22 ARG 46 HH22 ARG 46 -9.293 14.650 -10.330 358 H LEU 47 HN LEU 47 -9.920 6.043 -7.633 359 HA LEU 47 HA LEU 47 -7.732 4.959 -6.620 360 HB2 LEU 47 HB2 LEU 47 -8.680 4.424 -9.427 361 HB3 LEU 47 HB1 LEU 47 -7.621 3.374 -8.512 362 HG LEU 47 HG LEU 47 -10.474 4.040 -7.787 363 HD11 LEU 47 HD11 LEU 47 -9.260 1.512 -8.888 364 HD12 LEU 47 HD12 LEU 47 -10.315 2.622 -9.762 365 HD13 LEU 47 HD13 LEU 47 -10.937 1.720 -8.380 366 HD21 LEU 47 HD21 LEU 47 -10.197 2.229 -6.128 367 HD22 LEU 47 HD22 LEU 47 -9.182 3.630 -5.800 368 HD23 LEU 47 HD23 LEU 47 -8.477 2.179 -6.511 369 H LEU 48 HN LEU 48 -7.660 6.733 -9.634 370 HA LEU 48 HA LEU 48 -4.989 6.218 -10.355 371 HB2 LEU 48 HB2 LEU 48 -6.691 7.082 -11.911 372 HB3 LEU 48 HB1 LEU 48 -6.737 8.591 -11.020 373 HG LEU 48 HG LEU 48 -4.327 8.930 -11.624 374 HD11 LEU 48 HD11 LEU 48 -3.734 6.626 -12.086 375 HD12 LEU 48 HD12 LEU 48 -3.441 7.635 -13.503 376 HD13 LEU 48 HD13 LEU 48 -4.859 6.589 -13.443 377 HD21 LEU 48 HD21 LEU 48 -6.283 8.667 -13.899 378 HD22 LEU 48 HD22 LEU 48 -4.807 9.631 -13.911 379 HD23 LEU 48 HD23 LEU 48 -6.126 10.052 -12.820 380 H GLU 49 HN GLU 49 -6.464 9.071 -8.907 381 HA GLU 49 HA GLU 49 -4.150 10.502 -8.257 382 HB2 GLU 49 HB2 GLU 49 -6.538 10.554 -6.449 383 HB3 GLU 49 HB1 GLU 49 -5.548 11.891 -7.022 384 HG2 GLU 49 HG2 GLU 49 -7.481 10.326 -8.708 385 HG3 GLU 49 HG1 GLU 49 -7.823 11.887 -7.960 386 H ARG 50 HN ARG 50 -5.989 8.049 -6.635 387 HA ARG 50 HA ARG 50 -4.827 8.003 -4.119 388 HB2 ARG 50 HB2 ARG 50 -6.012 5.865 -5.886 389 HB3 ARG 50 HB1 ARG 50 -5.429 5.494 -4.252 390 HG2 ARG 50 HG2 ARG 50 -6.999 7.278 -3.425 391 HG3 ARG 50 HG1 ARG 50 -7.657 7.348 -5.057 392 HD2 ARG 50 HD2 ARG 50 -7.972 4.799 -4.791 393 HD3 ARG 50 HD1 ARG 50 -7.772 5.105 -3.071 394 HE ARG 50 HE ARG 50 -9.714 6.819 -4.302 395 HH11 ARG 50 HH11 ARG 50 -9.255 3.642 -2.864 396 HH12 ARG 50 HH12 ARG 50 -10.933 3.476 -2.440 397 HH21 ARG 50 HH21 ARG 50 -11.881 6.588 -3.759 398 HH22 ARG 50 HH22 ARG 50 -12.425 5.169 -2.915 399 H HIS 51 HN HIS 51 -3.891 6.230 -7.039 400 HA HIS 51 HA HIS 51 -1.628 4.996 -5.846 401 HB2 HIS 51 HB2 HIS 51 -2.268 5.456 -8.769 402 HB3 HIS 51 HB1 HIS 51 -0.972 4.423 -8.178 403 HD1 HIS 51 HD1 HIS 51 -4.068 3.978 -9.628 404 HD2 HIS 51 HD2 HIS 51 -2.421 2.514 -6.121 405 HE1 HIS 51 HE1 HIS 51 -5.381 1.926 -9.041 406 HE2 HIS 51 HE2 HIS 51 -4.303 0.999 -6.987 407 H ARG 52 HN ARG 52 -2.034 7.868 -7.841 408 HA ARG 52 HA ARG 52 0.732 8.436 -8.124 409 HB2 ARG 52 HB2 ARG 52 -1.114 9.298 -9.590 410 HB3 ARG 52 HB1 ARG 52 -1.602 10.354 -8.274 411 HG2 ARG 52 HG2 ARG 52 0.605 11.444 -8.364 412 HG3 ARG 52 HG1 ARG 52 1.028 10.418 -9.737 413 HD2 ARG 52 HD2 ARG 52 0.303 12.545 -10.572 414 HD3 ARG 52 HD1 ARG 52 -0.927 11.347 -10.957 415 HE ARG 52 HE ARG 52 -1.129 13.370 -8.823 416 HH11 ARG 52 HH11 ARG 52 -2.659 11.104 -11.031 417 HH12 ARG 52 HH12 ARG 52 -4.267 11.681 -10.701 418 HH21 ARG 52 HH21 ARG 52 -3.227 14.134 -8.412 419 HH22 ARG 52 HH22 ARG 52 -4.591 13.413 -9.219 420 H MET 53 HN MET 53 -1.365 8.669 -5.495 421 HA MET 53 HA MET 53 -0.030 11.017 -4.392 422 HB2 MET 53 HB2 MET 53 -2.557 10.688 -4.342 423 HB3 MET 53 HB1 MET 53 -2.277 9.450 -3.129 424 HG2 MET 53 HG2 MET 53 -2.857 11.461 -2.005 425 HG3 MET 53 HG1 MET 53 -1.145 11.152 -1.724 426 HE1 MET 53 HE1 MET 53 -2.778 14.346 -4.633 427 HE2 MET 53 HE2 MET 53 -3.789 13.282 -3.654 428 HE3 MET 53 HE3 MET 53 -2.848 12.620 -4.990 429 H VAL 54 HN VAL 54 -0.530 7.605 -3.802 430 HA VAL 54 HA VAL 54 0.823 7.536 -1.305 431 HB VAL 54 HB VAL 54 -0.686 5.774 -2.720 432 HG11 VAL 54 HG11 VAL 54 0.608 3.749 -3.126 433 HG12 VAL 54 HG12 VAL 54 2.091 4.636 -2.771 434 HG13 VAL 54 HG13 VAL 54 1.116 5.077 -4.173 435 HG21 VAL 54 HG21 VAL 54 1.121 5.261 -0.374 436 HG22 VAL 54 HG22 VAL 54 -0.150 4.155 -0.886 437 HG23 VAL 54 HG23 VAL 54 -0.564 5.778 -0.336 438 H ASN 55 HN ASN 55 1.744 7.026 -4.640 439 HA ASN 55 HA ASN 55 4.407 6.238 -3.919 440 HB2 ASN 55 HB2 ASN 55 4.828 5.856 -6.128 441 HB3 ASN 55 HB1 ASN 55 3.088 5.609 -6.100 442 HD21 ASN 55 HD21 ASN 55 2.359 8.325 -5.965 443 HD22 ASN 55 HD22 ASN 55 2.845 9.125 -7.419 444 H ALA 56 HN ALA 56 2.778 9.158 -4.256 445 HA ALA 56 HA ALA 56 4.959 10.814 -4.991 446 HB1 ALA 56 HB1 ALA 56 2.661 11.666 -4.948 447 HB2 ALA 56 HB2 ALA 56 3.714 12.642 -3.925 448 HB3 ALA 56 HB3 ALA 56 2.615 11.470 -3.196 449 H ALA 57 HN ALA 57 3.749 9.547 -1.980 450 HA ALA 57 HA ALA 57 5.894 10.741 -0.416 451 HB1 ALA 57 HB1 ALA 57 4.654 9.796 1.499 452 HB2 ALA 57 HB2 ALA 57 3.505 9.078 0.367 453 HB3 ALA 57 HB3 ALA 57 3.644 10.831 0.489 454 H LEU 58 HN LEU 58 5.724 8.233 -2.384 455 HA LEU 58 HA LEU 58 7.342 6.447 -0.716 456 HB2 LEU 58 HB2 LEU 58 4.691 5.948 -1.347 457 HB3 LEU 58 HB1 LEU 58 5.563 5.078 -2.592 458 HG LEU 58 HG LEU 58 6.780 3.809 -0.886 459 HD11 LEU 58 HD11 LEU 58 5.092 5.378 1.055 460 HD12 LEU 58 HD12 LEU 58 6.849 5.411 0.911 461 HD13 LEU 58 HD13 LEU 58 6.038 3.950 1.470 462 HD21 LEU 58 HD21 LEU 58 4.885 2.488 -0.063 463 HD22 LEU 58 HD22 LEU 58 4.710 2.904 -1.768 464 HD23 LEU 58 HD23 LEU 58 3.787 3.780 -0.546 465 H GLU 59 HN GLU 59 7.347 8.381 -3.203 466 HA GLU 59 HA GLU 59 8.208 6.745 -5.383 467 HB2 GLU 59 HB2 GLU 59 7.253 9.029 -5.689 468 HB3 GLU 59 HB1 GLU 59 8.679 9.707 -4.889 469 HG2 GLU 59 HG2 GLU 59 8.823 8.107 -7.431 470 HG3 GLU 59 HG1 GLU 59 8.615 9.854 -7.400 471 H GLU 60 HN GLU 60 9.667 8.308 -2.696 472 HA GLU 60 HA GLU 60 12.369 7.940 -3.554 473 HB2 GLU 60 HB2 GLU 60 12.636 8.533 -0.963 474 HB3 GLU 60 HB1 GLU 60 12.295 9.742 -2.185 475 HG2 GLU 60 HG2 GLU 60 10.862 10.213 -0.391 476 HG3 GLU 60 HG1 GLU 60 9.854 9.487 -1.642 477 H GLU 61 HN GLU 61 10.027 6.366 -1.546 478 HA GLU 61 HA GLU 61 11.605 4.287 -0.526 479 HB2 GLU 61 HB2 GLU 61 9.168 5.039 -0.014 480 HB3 GLU 61 HB1 GLU 61 8.735 3.993 -1.356 481 HG2 GLU 61 HG2 GLU 61 8.431 2.763 0.655 482 HG3 GLU 61 HG1 GLU 61 9.830 2.101 -0.186 483 H MET 62 HN MET 62 9.709 4.675 -3.457 484 HA MET 62 HA MET 62 9.994 2.097 -4.511 485 HB2 MET 62 HB2 MET 62 8.331 3.737 -5.291 486 HB3 MET 62 HB1 MET 62 9.619 4.715 -5.974 487 HG2 MET 62 HG2 MET 62 8.602 3.510 -7.745 488 HG3 MET 62 HG1 MET 62 10.193 2.806 -7.462 489 HE1 MET 62 HE1 MET 62 7.811 -0.157 -8.621 490 HE2 MET 62 HE2 MET 62 9.310 0.699 -8.985 491 HE3 MET 62 HE3 MET 62 7.762 1.533 -9.124 492 H LYS 63 HN LYS 63 12.076 4.919 -4.673 493 HA LYS 63 HA LYS 63 13.748 3.720 -6.699 494 HB2 LYS 63 HB2 LYS 63 15.061 5.692 -6.650 495 HB3 LYS 63 HB1 LYS 63 13.390 6.204 -6.498 496 HG2 LYS 63 HG2 LYS 63 13.671 6.577 -4.139 497 HG3 LYS 63 HG1 LYS 63 15.311 5.935 -4.202 498 HD2 LYS 63 HD2 LYS 63 15.403 8.345 -4.153 499 HD3 LYS 63 HD1 LYS 63 15.935 7.780 -5.734 500 HE2 LYS 63 HE2 LYS 63 13.088 8.593 -5.257 501 HE3 LYS 63 HE1 LYS 63 14.326 9.797 -5.595 502 HZ1 LYS 63 HZ1 LYS 63 14.614 9.024 -7.730 503 HZ2 LYS 63 HZ2 LYS 63 12.945 8.797 -7.518 504 HZ3 LYS 63 HZ3 LYS 63 14.005 7.487 -7.390 505 H GLU 64 HN GLU 64 13.374 3.236 -3.431 506 HA GLU 64 HA GLU 64 16.232 2.708 -2.989 507 HB2 GLU 64 HB2 GLU 64 14.860 3.914 -1.245 508 HB3 GLU 64 HB1 GLU 64 13.961 2.421 -1.017 509 HG2 GLU 64 HG2 GLU 64 15.706 2.737 0.672 510 HG3 GLU 64 HG1 GLU 64 15.956 1.280 -0.289 511 H ILE 65 HN ILE 65 13.173 1.270 -3.452 512 HA ILE 65 HA ILE 65 14.238 -1.453 -3.211 513 HB ILE 65 HB ILE 65 11.794 -2.044 -3.424 514 HG12 ILE 65 HG12 ILE 65 11.597 0.960 -3.249 515 HG13 ILE 65 HG11 ILE 65 11.096 -0.046 -4.594 516 HG21 ILE 65 HG21 ILE 65 12.516 -0.189 -1.150 517 HG22 ILE 65 HG22 ILE 65 12.919 -1.903 -1.237 518 HG23 ILE 65 HG23 ILE 65 11.232 -1.399 -1.136 519 HD11 ILE 65 HD11 ILE 65 9.354 -1.012 -3.186 520 HD12 ILE 65 HD12 ILE 65 9.221 0.744 -3.306 521 HD13 ILE 65 HD13 ILE 65 9.895 0.012 -1.855 522 H HIS 66 HN HIS 66 12.559 -2.740 -4.977 523 HA HIS 66 HA HIS 66 13.353 -1.559 -7.557 524 HB2 HIS 66 HB2 HIS 66 14.247 -3.852 -6.970 525 HB3 HIS 66 HB1 HIS 66 12.592 -4.438 -7.093 526 HD1 HIS 66 HD1 HIS 66 14.795 -2.271 -9.311 527 HD2 HIS 66 HD2 HIS 66 12.212 -5.490 -9.539 528 HE1 HIS 66 HE1 HIS 66 14.683 -2.890 -11.723 529 HE2 HIS 66 HE2 HIS 66 13.203 -4.911 -11.841 530 H ALA 67 HN ALA 67 10.654 -2.533 -5.626 531 HA ALA 67 HA ALA 67 8.749 -1.436 -7.385 532 HB1 ALA 67 HB1 ALA 67 7.608 -3.434 -8.161 533 HB2 ALA 67 HB2 ALA 67 8.826 -4.449 -7.387 534 HB3 ALA 67 HB3 ALA 67 9.274 -3.409 -8.739 535 H LEU 68 HN LEU 68 7.142 -0.805 -6.145 536 HA LEU 68 HA LEU 68 6.152 -2.639 -4.068 537 HB2 LEU 68 HB2 LEU 68 7.109 0.011 -3.721 538 HB3 LEU 68 HB1 LEU 68 5.366 0.062 -3.528 539 HG LEU 68 HG LEU 68 7.225 -1.745 -1.977 540 HD11 LEU 68 HD11 LEU 68 7.525 0.596 -1.372 541 HD12 LEU 68 HD12 LEU 68 6.716 -0.293 -0.080 542 HD13 LEU 68 HD13 LEU 68 5.786 0.767 -1.139 543 HD21 LEU 68 HD21 LEU 68 4.276 -1.204 -1.657 544 HD22 LEU 68 HD22 LEU 68 5.267 -2.223 -0.611 545 HD23 LEU 68 HD23 LEU 68 4.989 -2.687 -2.289 546 H SER 69 HN SER 69 4.419 -3.506 -5.045 547 HA SER 69 HA SER 69 2.861 -1.963 -6.935 548 HB2 SER 69 HB2 SER 69 2.417 -4.801 -5.995 549 HB3 SER 69 HB1 SER 69 1.789 -4.053 -7.461 550 HG SER 69 HG SER 69 3.938 -5.443 -7.291 551 H ILE 70 HN ILE 70 1.379 -0.616 -6.081 552 HA ILE 70 HA ILE 70 -0.028 -1.327 -3.669 553 HB ILE 70 HB ILE 70 0.473 0.962 -3.724 554 HG12 ILE 70 HG12 ILE 70 -2.369 0.941 -4.746 555 HG13 ILE 70 HG11 ILE 70 -1.946 0.388 -3.130 556 HG21 ILE 70 HG21 ILE 70 -0.061 2.459 -5.603 557 HG22 ILE 70 HG22 ILE 70 -0.610 1.065 -6.532 558 HG23 ILE 70 HG23 ILE 70 1.080 1.189 -6.042 559 HD11 ILE 70 HD11 ILE 70 -1.014 2.615 -2.652 560 HD12 ILE 70 HD12 ILE 70 -2.725 2.666 -3.060 561 HD13 ILE 70 HD13 ILE 70 -1.521 3.151 -4.253 562 H LYS 71 HN LYS 71 -1.053 -3.139 -4.281 563 HA LYS 71 HA LYS 71 -2.765 -3.268 -6.559 564 HB2 LYS 71 HB2 LYS 71 -2.948 -5.035 -4.123 565 HB3 LYS 71 HB1 LYS 71 -3.366 -5.432 -5.785 566 HG2 LYS 71 HG2 LYS 71 -1.065 -5.455 -6.426 567 HG3 LYS 71 HG1 LYS 71 -0.587 -4.834 -4.841 568 HD2 LYS 71 HD2 LYS 71 -0.223 -7.283 -5.126 569 HD3 LYS 71 HD1 LYS 71 -1.266 -6.867 -3.767 570 HE2 LYS 71 HE2 LYS 71 -3.232 -7.375 -5.156 571 HE3 LYS 71 HE1 LYS 71 -2.164 -7.822 -6.486 572 HZ1 LYS 71 HZ1 LYS 71 -2.919 -9.761 -5.276 573 HZ2 LYS 71 HZ2 LYS 71 -2.281 -9.151 -3.835 574 HZ3 LYS 71 HZ3 LYS 71 -1.246 -9.578 -5.103 575 H LYS 72 HN LYS 72 -3.063 -2.319 -3.262 576 HA LYS 72 HA LYS 72 -5.922 -1.857 -3.635 577 HB2 LYS 72 HB2 LYS 72 -4.595 -3.406 -1.466 578 HB3 LYS 72 HB1 LYS 72 -6.055 -2.493 -1.110 579 HG2 LYS 72 HG2 LYS 72 -7.251 -3.655 -2.833 580 HG3 LYS 72 HG1 LYS 72 -5.793 -4.546 -3.285 581 HD2 LYS 72 HD2 LYS 72 -5.734 -5.442 -0.936 582 HD3 LYS 72 HD1 LYS 72 -7.332 -4.732 -0.702 583 HE2 LYS 72 HE2 LYS 72 -8.287 -6.126 -2.366 584 HE3 LYS 72 HE1 LYS 72 -6.702 -6.660 -2.920 585 HZ1 LYS 72 HZ1 LYS 72 -7.706 -8.360 -1.582 586 HZ2 LYS 72 HZ2 LYS 72 -7.954 -7.286 -0.303 587 HZ3 LYS 72 HZ3 LYS 72 -6.374 -7.722 -0.747 588 H ALA 73 HN ALA 73 -6.387 0.041 -3.396 589 HA ALA 73 HA ALA 73 -5.048 1.717 -1.382 590 HB1 ALA 73 HB1 ALA 73 -6.099 2.726 -4.022 591 HB2 ALA 73 HB2 ALA 73 -4.420 2.271 -3.762 592 HB3 ALA 73 HB3 ALA 73 -5.122 3.603 -2.845 593 H GLN 74 HN GLN 74 -6.646 1.475 0.156 594 HA GLN 74 HA GLN 74 -9.240 2.698 -0.554 595 HB2 GLN 74 HB2 GLN 74 -8.818 0.441 1.411 596 HB3 GLN 74 HB1 GLN 74 -10.342 1.251 1.105 597 HG2 GLN 74 HG2 GLN 74 -10.549 -0.675 -0.129 598 HG3 GLN 74 HG1 GLN 74 -9.995 0.483 -1.333 599 HE21 GLN 74 HE21 GLN 74 -7.910 -0.899 1.099 600 HE22 GLN 74 HE22 GLN 74 -6.973 -1.863 0.027 601 H THR 75 HN THR 75 -10.325 3.806 1.146 602 HA THR 75 HA THR 75 -8.632 4.690 3.358 603 HB THR 75 HB THR 75 -10.804 6.413 3.168 604 HG1 THR 75 HG1 THR 75 -9.889 6.790 0.680 605 HG21 THR 75 HG21 THR 75 -7.999 6.788 2.124 606 HG22 THR 75 HG22 THR 75 -8.499 6.989 3.800 607 HG23 THR 75 HG23 THR 75 -9.127 8.067 2.558 608 HA PRO 76 HA PRO 76 -11.283 2.953 6.411 609 HB2 PRO 76 HB2 PRO 76 -11.247 5.619 7.724 610 HB3 PRO 76 HB1 PRO 76 -10.829 4.033 8.380 611 HG2 PRO 76 HG2 PRO 76 -8.923 5.773 7.761 612 HG3 PRO 76 HG1 PRO 76 -8.716 4.045 7.415 613 HD2 PRO 76 HD2 PRO 76 -9.401 6.282 5.555 614 HD3 PRO 76 HD1 PRO 76 -8.342 4.885 5.295 615 H GLN 77 HN GLN 77 -12.304 5.702 4.593 616 HA GLN 77 HA GLN 77 -14.922 5.775 5.815 617 HB2 GLN 77 HB2 GLN 77 -15.190 7.730 4.771 618 HB3 GLN 77 HB1 GLN 77 -13.529 7.559 4.227 619 HG2 GLN 77 HG2 GLN 77 -15.552 6.235 2.563 620 HG3 GLN 77 HG1 GLN 77 -15.585 8.005 2.565 621 HE21 GLN 77 HE21 GLN 77 -12.879 5.945 3.050 622 HE22 GLN 77 HE22 GLN 77 -12.053 6.322 1.573 623 H GLN 78 HN GLN 78 -13.506 4.147 3.023 624 HA GLN 78 HA GLN 78 -16.116 2.899 2.500 625 HB2 GLN 78 HB2 GLN 78 -13.509 2.447 1.060 626 HB3 GLN 78 HB1 GLN 78 -15.100 1.919 0.539 627 HG2 GLN 78 HG2 GLN 78 -15.341 3.798 -0.611 628 HG3 GLN 78 HG1 GLN 78 -15.143 4.743 0.873 629 HE21 GLN 78 HE21 GLN 78 -12.575 3.834 1.462 630 HE22 GLN 78 HE22 GLN 78 -11.490 4.620 0.360 631 H TRP 79 HN TRP 79 -12.943 2.412 3.766 632 HA TRP 79 HA TRP 79 -13.249 -0.405 4.262 633 HB2 TRP 79 HB2 TRP 79 -11.143 1.509 4.390 634 HB3 TRP 79 HB1 TRP 79 -11.303 0.767 5.981 635 HD1 TRP 79 HD1 TRP 79 -11.224 -0.499 2.335 636 HE1 TRP 79 HE1 TRP 79 -9.774 -2.606 2.264 637 HE3 TRP 79 HE3 TRP 79 -10.088 -0.844 7.293 638 HZ2 TRP 79 HZ2 TRP 79 -8.319 -4.239 4.095 639 HZ3 TRP 79 HZ3 TRP 79 -8.678 -2.708 8.058 640 HH2 TRP 79 HH2 TRP 79 -7.817 -4.367 6.492 641 H LYS 80 HN LYS 80 -14.842 2.118 5.348 642 HA LYS 80 HA LYS 80 -14.765 2.212 8.056 643 HB2 LYS 80 HB2 LYS 80 -17.103 2.925 8.069 644 HB3 LYS 80 HB1 LYS 80 -16.175 3.691 6.791 645 HG2 LYS 80 HG2 LYS 80 -17.157 2.142 5.166 646 HG3 LYS 80 HG1 LYS 80 -18.112 1.411 6.462 647 HD2 LYS 80 HD2 LYS 80 -19.179 3.579 6.881 648 HD3 LYS 80 HD1 LYS 80 -18.236 4.292 5.571 649 HE2 LYS 80 HE2 LYS 80 -20.428 3.795 4.743 650 HE3 LYS 80 HE1 LYS 80 -19.287 2.671 4.010 651 HZ1 LYS 80 HZ1 LYS 80 -19.980 0.978 5.564 652 HZ2 LYS 80 HZ2 LYS 80 -21.329 1.584 4.746 653 HZ3 LYS 80 HZ3 LYS 80 -21.023 2.060 6.336 654 HA PRO 81 HA PRO 81 -17.293 -1.763 8.805 655 HB2 PRO 81 HB2 PRO 81 -16.876 -3.551 6.574 656 HB3 PRO 81 HB1 PRO 81 -18.401 -2.974 7.246 657 HG2 PRO 81 HG2 PRO 81 -17.474 -2.278 4.773 658 HG3 PRO 81 HG1 PRO 81 -18.567 -1.270 5.736 659 HD2 PRO 81 HD2 PRO 81 -15.606 -1.042 5.371 660 HD3 PRO 81 HD1 PRO 81 -16.836 0.236 5.434 661 HA PRO 82 HA PRO 82 -13.074 -3.272 9.488 662 HB2 PRO 82 HB2 PRO 82 -13.678 -3.724 12.225 663 HB3 PRO 82 HB1 PRO 82 -12.784 -2.371 11.538 664 HG2 PRO 82 HG2 PRO 82 -15.284 -2.225 12.770 665 HG3 PRO 82 HG1 PRO 82 -14.550 -0.975 11.754 666 HD2 PRO 82 HD2 PRO 82 -16.628 -2.996 11.077 667 HD3 PRO 82 HD1 PRO 82 -16.408 -1.343 10.462 668 H SER 83 HN SER 83 -12.652 -5.302 8.886 669 HA SER 83 HA SER 83 -14.144 -7.477 10.162 670 HB2 SER 83 HB2 SER 83 -13.398 -7.389 7.230 671 HB3 SER 83 HB1 SER 83 -14.296 -8.668 8.046 672 HG SER 83 HG SER 83 -15.625 -6.516 8.591 673 H GLN 84 HN GLN 84 -11.821 -6.568 11.077 674 HA GLN 84 HA GLN 84 -9.866 -8.588 10.247 675 HB2 GLN 84 HB2 GLN 84 -8.127 -6.842 10.395 676 HB3 GLN 84 HB1 GLN 84 -9.312 -6.509 9.149 677 HG2 GLN 84 HG2 GLN 84 -10.442 -4.935 10.652 678 HG3 GLN 84 HG1 GLN 84 -9.204 -5.233 11.870 679 HE21 GLN 84 HE21 GLN 84 -7.180 -5.458 9.737 680 HE22 GLN 84 HE22 GLN 84 -6.801 -3.839 9.304 681 H ASP 85 HN ASP 85 -10.952 -6.276 12.626 682 HA ASP 85 HA ASP 85 -9.120 -6.972 14.666 683 HB2 ASP 85 HB2 ASP 85 -10.681 -5.495 16.006 684 HB3 ASP 85 HB1 ASP 85 -9.955 -4.740 14.597 685 H SER 86 HN SER 86 -12.136 -8.057 13.610 686 HA SER 86 HA SER 86 -13.269 -9.177 15.877 687 HB2 SER 86 HB2 SER 86 -13.343 -10.126 13.010 688 HB3 SER 86 HB1 SER 86 -14.472 -10.633 14.269 689 HG SER 86 HG SER 86 -14.679 -8.136 14.446 690 H ALA 87 HN ALA 87 -11.114 -10.726 13.482 691 HA ALA 87 HA ALA 87 -10.847 -13.032 15.237 692 HB1 ALA 87 HB1 ALA 87 -9.746 -12.598 12.469 693 HB2 ALA 87 HB2 ALA 87 -11.256 -13.420 12.857 694 HB3 ALA 87 HB3 ALA 87 -9.719 -14.108 13.376 695 H THR 88 HN THR 88 -9.548 -10.235 15.485 696 HA THR 88 HA THR 88 -6.742 -10.941 15.603 697 HB THR 88 HB THR 88 -8.118 -8.425 16.567 698 HG1 THR 88 HG1 THR 88 -7.741 -9.265 14.100 699 HG21 THR 88 HG21 THR 88 -5.204 -8.962 15.990 700 HG22 THR 88 HG22 THR 88 -5.916 -8.790 17.594 701 HG23 THR 88 HG23 THR 88 -5.896 -7.418 16.486 702 H LEU 89 HN LEU 89 -9.485 -10.795 17.640 703 HA LEU 89 HA LEU 89 -7.818 -11.438 19.979 704 HB2 LEU 89 HB2 LEU 89 -10.576 -10.208 19.849 705 HB3 LEU 89 HB1 LEU 89 -9.840 -10.781 21.331 706 HG LEU 89 HG LEU 89 -7.958 -9.115 20.869 707 HD11 LEU 89 HD11 LEU 89 -10.020 -7.994 18.979 708 HD12 LEU 89 HD12 LEU 89 -8.465 -8.688 18.523 709 HD13 LEU 89 HD13 LEU 89 -8.522 -7.204 19.473 710 HD21 LEU 89 HD21 LEU 89 -9.226 -7.265 21.830 711 HD22 LEU 89 HD22 LEU 89 -9.639 -8.796 22.601 712 HD23 LEU 89 HD23 LEU 89 -10.733 -8.080 21.418 713 H THR 90 HN THR 90 -10.064 -12.493 17.736 714 HA THR 90 HA THR 90 -10.931 -14.540 17.276 715 HB THR 90 HB THR 90 -9.688 -15.635 19.803 716 HG1 THR 90 HG1 THR 90 -8.261 -15.776 17.407 717 HG21 THR 90 HG21 THR 90 -9.485 -17.677 18.445 718 HG22 THR 90 HG22 THR 90 -10.234 -16.844 17.082 719 HG23 THR 90 HG23 THR 90 -11.162 -17.141 18.551 720 H LYS 91 HN LYS 91 -12.183 -12.510 19.006 721 HA LYS 91 HA LYS 91 -14.186 -14.236 20.272 722 HB2 LYS 91 HB2 LYS 91 -13.099 -11.642 21.383 723 HB3 LYS 91 HB1 LYS 91 -14.517 -12.469 22.009 724 HG2 LYS 91 HG2 LYS 91 -13.216 -13.662 23.338 725 HG3 LYS 91 HG1 LYS 91 -12.415 -14.355 21.925 726 HD2 LYS 91 HD2 LYS 91 -10.869 -12.461 21.874 727 HD3 LYS 91 HD1 LYS 91 -11.665 -11.774 23.294 728 HE2 LYS 91 HE2 LYS 91 -9.644 -12.924 23.964 729 HE3 LYS 91 HE1 LYS 91 -11.053 -13.787 24.579 730 HZ1 LYS 91 HZ1 LYS 91 -9.372 -15.273 23.637 731 HZ2 LYS 91 HZ2 LYS 91 -9.547 -14.526 22.129 732 HZ3 LYS 91 HZ3 LYS 91 -10.841 -15.382 22.806 733 H ASP 92 HN ASP 92 -13.527 -12.240 17.857 734 HA ASP 92 HA ASP 92 -14.765 -11.057 16.359 735 HB2 ASP 92 HB2 ASP 92 -16.306 -13.047 16.703 736 HB3 ASP 92 HB1 ASP 92 -17.212 -12.053 17.834 737 H ALA 93 HN ALA 93 -13.833 -9.782 18.730 738 HA ALA 93 HA ALA 93 -15.629 -7.504 18.800 739 HB1 ALA 93 HB1 ALA 93 -14.790 -8.927 21.325 740 HB2 ALA 93 HB2 ALA 93 -16.416 -8.904 20.646 741 HB3 ALA 93 HB3 ALA 93 -15.688 -7.413 21.239 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 20.218 -2.398 -1.956 2 H2 MET 1 HT2 MET 1 21.633 -3.315 -1.847 3 H3 MET 1 HT3 MET 1 21.332 -2.092 -0.723 4 HA MET 1 HA MET 1 19.710 -4.537 -1.061 5 HB2 MET 1 HB2 MET 1 21.918 -5.039 -0.125 6 HB3 MET 1 HB1 MET 1 21.702 -3.786 1.091 7 HG2 MET 1 HG2 MET 1 21.319 -6.042 1.975 8 HG3 MET 1 HG1 MET 1 19.892 -5.015 2.102 9 HE1 MET 1 HE1 MET 1 18.313 -7.075 2.521 10 HE2 MET 1 HE2 MET 1 19.717 -8.144 2.466 11 HE3 MET 1 HE3 MET 1 18.288 -8.517 1.504 12 H VAL 2 HN VAL 2 17.841 -4.575 0.043 13 HA VAL 2 HA VAL 2 17.259 -2.541 2.032 14 HB VAL 2 HB VAL 2 16.616 -1.436 -0.047 15 HG11 VAL 2 HG11 VAL 2 16.284 -3.423 -1.425 16 HG12 VAL 2 HG12 VAL 2 14.897 -2.338 -1.511 17 HG13 VAL 2 HG13 VAL 2 14.813 -3.799 -0.528 18 HG21 VAL 2 HG21 VAL 2 14.215 -2.376 1.514 19 HG22 VAL 2 HG22 VAL 2 14.264 -0.969 0.452 20 HG23 VAL 2 HG23 VAL 2 15.248 -1.005 1.914 21 H THR 3 HN THR 3 15.699 -3.200 3.487 22 HA THR 3 HA THR 3 14.808 -5.984 3.180 23 HB THR 3 HB THR 3 14.592 -6.012 5.633 24 HG1 THR 3 HG1 THR 3 16.007 -3.641 5.952 25 HG21 THR 3 HG21 THR 3 17.293 -5.055 4.678 26 HG22 THR 3 HG22 THR 3 16.709 -6.720 4.645 27 HG23 THR 3 HG23 THR 3 16.984 -5.911 6.189 28 H LYS 4 HN LYS 4 12.705 -6.550 3.949 29 HA LYS 4 HA LYS 4 10.685 -4.591 3.375 30 HB2 LYS 4 HB2 LYS 4 9.343 -6.384 3.125 31 HB3 LYS 4 HB1 LYS 4 10.767 -7.379 3.387 32 HG2 LYS 4 HG2 LYS 4 9.815 -8.234 5.197 33 HG3 LYS 4 HG1 LYS 4 9.795 -6.625 5.933 34 HD2 LYS 4 HD2 LYS 4 7.634 -6.165 4.942 35 HD3 LYS 4 HD1 LYS 4 7.656 -7.717 4.102 36 HE2 LYS 4 HE2 LYS 4 7.593 -8.901 6.206 37 HE3 LYS 4 HE1 LYS 4 7.720 -7.389 7.100 38 HZ1 LYS 4 HZ1 LYS 4 5.462 -8.035 5.284 39 HZ2 LYS 4 HZ2 LYS 4 5.568 -6.738 6.376 40 HZ3 LYS 4 HZ3 LYS 4 5.439 -8.326 6.950 41 H GLU 5 HN GLU 5 12.598 -5.373 5.959 42 HA GLU 5 HA GLU 5 10.727 -5.071 8.084 43 HB2 GLU 5 HB2 GLU 5 13.738 -5.091 8.024 44 HB3 GLU 5 HB1 GLU 5 12.787 -5.061 9.508 45 HG2 GLU 5 HG2 GLU 5 12.760 -7.231 7.418 46 HG3 GLU 5 HG1 GLU 5 13.562 -7.307 8.986 47 H GLN 6 HN GLN 6 12.968 -3.025 6.402 48 HA GLN 6 HA GLN 6 12.369 -0.751 8.064 49 HB2 GLN 6 HB2 GLN 6 13.624 0.540 6.385 50 HB3 GLN 6 HB1 GLN 6 14.537 -0.830 6.992 51 HG2 GLN 6 HG2 GLN 6 14.963 -1.265 4.861 52 HG3 GLN 6 HG1 GLN 6 13.306 -1.868 4.782 53 HE21 GLN 6 HE21 GLN 6 11.704 -0.543 3.869 54 HE22 GLN 6 HE22 GLN 6 12.108 0.788 2.822 55 H VAL 7 HN VAL 7 11.040 -2.328 5.331 56 HA VAL 7 HA VAL 7 9.511 -0.152 4.259 57 HB VAL 7 HB VAL 7 9.304 -3.160 4.021 58 HG11 VAL 7 HG11 VAL 7 7.040 -2.228 3.916 59 HG12 VAL 7 HG12 VAL 7 7.558 -2.891 2.367 60 HG13 VAL 7 HG13 VAL 7 7.557 -1.147 2.621 61 HG21 VAL 7 HG21 VAL 7 11.140 -2.168 2.810 62 HG22 VAL 7 HG22 VAL 7 10.054 -0.998 2.059 63 HG23 VAL 7 HG23 VAL 7 9.908 -2.712 1.671 64 H GLU 8 HN GLU 8 9.121 -2.684 6.532 65 HA GLU 8 HA GLU 8 6.478 -2.566 7.271 66 HB2 GLU 8 HB2 GLU 8 9.070 -3.323 8.472 67 HB3 GLU 8 HB1 GLU 8 7.701 -3.164 9.580 68 HG2 GLU 8 HG2 GLU 8 7.848 -4.954 7.159 69 HG3 GLU 8 HG1 GLU 8 7.997 -5.466 8.839 70 H ALA 9 HN ALA 9 9.247 -0.741 8.543 71 HA ALA 9 HA ALA 9 7.548 0.697 10.389 72 HB1 ALA 9 HB1 ALA 9 9.804 0.050 11.077 73 HB2 ALA 9 HB2 ALA 9 9.614 1.804 11.095 74 HB3 ALA 9 HB3 ALA 9 10.486 1.025 9.775 75 H SER 10 HN SER 10 8.826 1.025 7.226 76 HA SER 10 HA SER 10 8.800 3.915 7.183 77 HB2 SER 10 HB2 SER 10 10.271 2.499 5.709 78 HB3 SER 10 HB1 SER 10 8.830 2.047 4.801 79 HG SER 10 HG SER 10 9.839 3.788 3.785 80 H LEU 11 HN LEU 11 6.768 1.409 5.727 81 HA LEU 11 HA LEU 11 4.918 3.223 4.573 82 HB2 LEU 11 HB2 LEU 11 4.900 0.269 5.124 83 HB3 LEU 11 HB1 LEU 11 3.489 1.067 4.471 84 HG LEU 11 HG LEU 11 5.001 -0.132 2.818 85 HD11 LEU 11 HD11 LEU 11 4.740 1.572 1.106 86 HD12 LEU 11 HD12 LEU 11 4.438 2.783 2.350 87 HD13 LEU 11 HD13 LEU 11 3.304 1.453 2.120 88 HD21 LEU 11 HD21 LEU 11 6.950 1.072 1.996 89 HD22 LEU 11 HD22 LEU 11 7.156 0.615 3.688 90 HD23 LEU 11 HD23 LEU 11 6.753 2.280 3.267 91 H THR 12 HN THR 12 4.972 1.456 7.632 92 HA THR 12 HA THR 12 2.331 2.092 8.428 93 HB THR 12 HB THR 12 4.714 1.550 10.222 94 HG1 THR 12 HG1 THR 12 4.612 -0.293 9.131 95 HG21 THR 12 HG21 THR 12 2.775 2.428 11.427 96 HG22 THR 12 HG22 THR 12 3.039 0.728 11.813 97 HG23 THR 12 HG23 THR 12 1.754 1.190 10.697 98 H SER 13 HN SER 13 5.179 3.962 8.262 99 HA SER 13 HA SER 13 4.250 5.906 10.229 100 HB2 SER 13 HB2 SER 13 6.765 5.787 8.573 101 HB3 SER 13 HB1 SER 13 6.408 7.044 9.758 102 HG SER 13 HG SER 13 7.018 4.328 10.153 103 H LYS 14 HN LYS 14 4.779 5.560 6.772 104 HA LYS 14 HA LYS 14 4.340 8.364 6.270 105 HB2 LYS 14 HB2 LYS 14 5.951 6.816 5.015 106 HB3 LYS 14 HB1 LYS 14 4.531 6.133 4.248 107 HG2 LYS 14 HG2 LYS 14 5.407 7.717 2.744 108 HG3 LYS 14 HG1 LYS 14 3.970 8.452 3.456 109 HD2 LYS 14 HD2 LYS 14 5.760 10.080 3.352 110 HD3 LYS 14 HD1 LYS 14 5.414 9.681 5.035 111 HE2 LYS 14 HE2 LYS 14 7.824 9.808 4.611 112 HE3 LYS 14 HE1 LYS 14 7.335 8.187 5.094 113 HZ1 LYS 14 HZ1 LYS 14 7.479 7.449 2.846 114 HZ2 LYS 14 HZ2 LYS 14 8.918 8.254 3.208 115 HZ3 LYS 14 HZ3 LYS 14 7.735 9.019 2.275 116 H LEU 15 HN LEU 15 2.607 5.392 6.330 117 HA LEU 15 HA LEU 15 0.308 6.663 4.985 118 HB2 LEU 15 HB2 LEU 15 1.154 3.786 5.178 119 HB3 LEU 15 HB1 LEU 15 -0.454 4.264 4.636 120 HG LEU 15 HG LEU 15 0.514 4.088 2.593 121 HD11 LEU 15 HD11 LEU 15 1.345 6.201 1.741 122 HD12 LEU 15 HD12 LEU 15 1.637 6.768 3.388 123 HD13 LEU 15 HD13 LEU 15 -0.015 6.473 2.833 124 HD21 LEU 15 HD21 LEU 15 3.164 4.823 3.809 125 HD22 LEU 15 HD22 LEU 15 2.890 4.296 2.148 126 HD23 LEU 15 HD23 LEU 15 2.592 3.188 3.487 127 H LYS 16 HN LYS 16 1.501 5.546 7.884 128 HA LYS 16 HA LYS 16 0.643 5.626 9.962 129 HB2 LYS 16 HB2 LYS 16 -1.982 6.297 8.610 130 HB3 LYS 16 HB1 LYS 16 -1.723 6.310 10.349 131 HG2 LYS 16 HG2 LYS 16 -0.244 8.145 10.214 132 HG3 LYS 16 HG1 LYS 16 -0.103 7.998 8.464 133 HD2 LYS 16 HD2 LYS 16 -1.526 9.882 9.066 134 HD3 LYS 16 HD1 LYS 16 -2.453 8.642 8.223 135 HE2 LYS 16 HE2 LYS 16 -3.376 7.855 10.310 136 HE3 LYS 16 HE1 LYS 16 -2.360 8.974 11.218 137 HZ1 LYS 16 HZ1 LYS 16 -4.404 9.839 9.239 138 HZ2 LYS 16 HZ2 LYS 16 -3.546 10.817 10.324 139 HZ3 LYS 16 HZ3 LYS 16 -4.693 9.721 10.903 140 HA PRO 17 HA PRO 17 -0.527 1.449 10.389 141 HB2 PRO 17 HB2 PRO 17 -1.181 1.296 12.989 142 HB3 PRO 17 HB1 PRO 17 0.470 1.642 12.460 143 HG2 PRO 17 HG2 PRO 17 -1.646 3.530 13.422 144 HG3 PRO 17 HG1 PRO 17 0.080 3.485 13.829 145 HD2 PRO 17 HD2 PRO 17 -0.995 5.188 11.981 146 HD3 PRO 17 HD1 PRO 17 0.679 4.608 11.922 147 H ILE 18 HN ILE 18 -2.589 2.587 9.070 148 HA ILE 18 HA ILE 18 -5.063 2.001 10.492 149 HB ILE 18 HB ILE 18 -4.750 2.681 7.574 150 HG12 ILE 18 HG12 ILE 18 -5.240 4.674 9.790 151 HG13 ILE 18 HG11 ILE 18 -3.624 4.309 9.196 152 HG21 ILE 18 HG21 ILE 18 -7.037 3.527 7.811 153 HG22 ILE 18 HG22 ILE 18 -7.032 3.075 9.516 154 HG23 ILE 18 HG23 ILE 18 -6.939 1.827 8.273 155 HD11 ILE 18 HD11 ILE 18 -4.570 6.325 8.190 156 HD12 ILE 18 HD12 ILE 18 -5.883 5.358 7.518 157 HD13 ILE 18 HD13 ILE 18 -4.222 5.075 6.998 158 H HIS 19 HN HIS 19 -4.265 1.135 7.145 159 HA HIS 19 HA HIS 19 -4.293 -1.695 7.891 160 HB2 HIS 19 HB2 HIS 19 -6.566 -1.114 7.025 161 HB3 HIS 19 HB1 HIS 19 -5.810 -0.590 5.529 162 HD1 HIS 19 HD1 HIS 19 -6.707 -3.668 7.444 163 HD2 HIS 19 HD2 HIS 19 -5.022 -2.633 3.782 164 HE1 HIS 19 HE1 HIS 19 -6.742 -5.763 6.061 165 HE2 HIS 19 HE2 HIS 19 -5.551 -5.157 3.930 166 H LEU 20 HN LEU 20 -2.198 -1.952 7.547 167 HA LEU 20 HA LEU 20 -1.214 -1.468 4.821 168 HB2 LEU 20 HB2 LEU 20 -0.128 0.053 6.397 169 HB3 LEU 20 HB1 LEU 20 0.307 -1.302 7.423 170 HG LEU 20 HG LEU 20 1.583 -2.189 5.375 171 HD11 LEU 20 HD11 LEU 20 2.362 -0.485 3.830 172 HD12 LEU 20 HD12 LEU 20 1.328 0.712 4.612 173 HD13 LEU 20 HD13 LEU 20 0.608 -0.653 3.758 174 HD21 LEU 20 HD21 LEU 20 3.558 -0.940 6.004 175 HD22 LEU 20 HD22 LEU 20 2.617 -1.358 7.434 176 HD23 LEU 20 HD23 LEU 20 2.560 0.283 6.790 177 H GLU 21 HN GLU 21 -0.433 -3.192 3.843 178 HA GLU 21 HA GLU 21 0.499 -5.501 5.358 179 HB2 GLU 21 HB2 GLU 21 -1.558 -5.699 3.139 180 HB3 GLU 21 HB1 GLU 21 -0.803 -7.052 3.958 181 HG2 GLU 21 HG2 GLU 21 -2.525 -5.026 5.356 182 HG3 GLU 21 HG1 GLU 21 -3.147 -6.519 4.659 183 H VAL 22 HN VAL 22 2.602 -5.102 4.587 184 HA VAL 22 HA VAL 22 2.904 -5.284 1.681 185 HB VAL 22 HB VAL 22 5.198 -4.575 1.950 186 HG11 VAL 22 HG11 VAL 22 3.648 -2.798 1.746 187 HG12 VAL 22 HG12 VAL 22 4.803 -2.327 2.993 188 HG13 VAL 22 HG13 VAL 22 3.196 -2.902 3.448 189 HG21 VAL 22 HG21 VAL 22 5.670 -5.687 4.100 190 HG22 VAL 22 HG22 VAL 22 4.685 -4.479 4.923 191 HG23 VAL 22 HG23 VAL 22 6.165 -3.996 4.098 192 H ILE 23 HN ILE 23 3.653 -7.069 0.739 193 HA ILE 23 HA ILE 23 4.533 -9.248 2.477 194 HB ILE 23 HB ILE 23 3.000 -9.570 -0.098 195 HG12 ILE 23 HG12 ILE 23 1.243 -10.532 1.623 196 HG13 ILE 23 HG11 ILE 23 2.060 -9.447 2.742 197 HG21 ILE 23 HG21 ILE 23 2.784 -11.911 0.619 198 HG22 ILE 23 HG22 ILE 23 3.789 -11.554 2.022 199 HG23 ILE 23 HG23 ILE 23 4.465 -11.426 0.399 200 HD11 ILE 23 HD11 ILE 23 0.750 -8.634 0.158 201 HD12 ILE 23 HD12 ILE 23 1.536 -7.556 1.311 202 HD13 ILE 23 HD13 ILE 23 0.074 -8.427 1.774 203 H ASP 24 HN ASP 24 6.613 -9.103 2.174 204 HA ASP 24 HA ASP 24 8.027 -8.601 -0.169 205 HB2 ASP 24 HB2 ASP 24 9.219 -8.589 1.925 206 HB3 ASP 24 HB1 ASP 24 8.809 -10.278 2.221 207 H ILE 25 HN ILE 25 7.955 -9.617 -1.981 208 HA ILE 25 HA ILE 25 7.523 -12.519 -1.947 209 HB ILE 25 HB ILE 25 6.543 -12.188 -4.259 210 HG12 ILE 25 HG12 ILE 25 5.433 -9.829 -4.422 211 HG13 ILE 25 HG11 ILE 25 6.772 -9.327 -3.398 212 HG21 ILE 25 HG21 ILE 25 5.113 -11.007 -1.898 213 HG22 ILE 25 HG22 ILE 25 5.182 -12.711 -2.343 214 HG23 ILE 25 HG23 ILE 25 4.343 -11.563 -3.384 215 HD11 ILE 25 HD11 ILE 25 7.234 -8.910 -5.741 216 HD12 ILE 25 HD12 ILE 25 7.010 -10.622 -6.102 217 HD13 ILE 25 HD13 ILE 25 8.352 -10.105 -5.080 218 H SER 26 HN SER 26 10.016 -10.831 -1.916 219 HA SER 26 HA SER 26 11.438 -12.466 -3.821 220 HB2 SER 26 HB2 SER 26 12.649 -10.376 -4.724 221 HB3 SER 26 HB1 SER 26 11.037 -10.724 -5.348 222 HG SER 26 HG SER 26 10.274 -9.003 -4.376 223 H GLY 27 HN GLY 27 12.418 -9.396 -2.304 224 HA2 GLY 27 HA2 GLY 27 13.369 -10.177 0.092 225 HA3 GLY 27 HA1 GLY 27 14.635 -10.699 -1.010 226 H GLY 28 HN GLY 28 16.174 -9.312 -1.426 227 HA2 GLY 28 HA2 GLY 28 15.704 -6.457 -0.828 228 HA3 GLY 28 HA1 GLY 28 17.196 -7.288 -0.418 229 H CYS 29 HN CYS 29 17.501 -8.745 -2.814 230 HA CYS 29 HA CYS 29 18.365 -6.597 -4.603 231 HB2 CYS 29 HB2 CYS 29 18.949 -9.564 -4.680 232 HB3 CYS 29 HB1 CYS 29 19.693 -8.343 -5.708 233 HG CYS 29 HG CYS 29 20.757 -9.458 -2.882 234 H GLY 30 HN GLY 30 16.150 -9.202 -4.304 235 HA2 GLY 30 HA2 GLY 30 15.110 -8.907 -7.005 236 HA3 GLY 30 HA1 GLY 30 14.526 -10.018 -5.765 237 H SER 31 HN SER 31 14.934 -7.478 -4.061 238 HA SER 31 HA SER 31 12.639 -7.249 -2.920 239 HB2 SER 31 HB2 SER 31 14.466 -5.878 -2.240 240 HB3 SER 31 HB1 SER 31 14.383 -4.924 -3.714 241 HG SER 31 HG SER 31 12.914 -4.745 -1.401 242 H SER 32 HN SER 32 10.759 -7.312 -3.585 243 HA SER 32 HA SER 32 9.572 -5.050 -4.954 244 HB2 SER 32 HB2 SER 32 10.022 -6.656 -6.781 245 HB3 SER 32 HB1 SER 32 9.189 -7.919 -5.880 246 HG SER 32 HG SER 32 7.278 -6.673 -6.051 247 H PHE 33 HN PHE 33 7.879 -4.476 -3.676 248 HA PHE 33 HA PHE 33 6.843 -6.571 -1.881 249 HB2 PHE 33 HB2 PHE 33 7.074 -3.626 -1.272 250 HB3 PHE 33 HB1 PHE 33 6.517 -4.878 -0.172 251 HD1 PHE 33 HD2 PHE 33 8.204 -6.822 0.215 252 HD2 PHE 33 HD1 PHE 33 9.276 -2.957 -1.169 253 HE1 PHE 33 HE2 PHE 33 10.512 -7.202 0.970 254 HE2 PHE 33 HE1 PHE 33 11.588 -3.322 -0.416 255 HZ PHE 33 HZ PHE 33 12.204 -5.446 0.659 256 H GLU 34 HN GLU 34 4.764 -6.927 -1.838 257 HA GLU 34 HA GLU 34 2.955 -5.251 -3.404 258 HB2 GLU 34 HB2 GLU 34 2.239 -7.725 -1.826 259 HB3 GLU 34 HB1 GLU 34 1.378 -7.020 -3.185 260 HG2 GLU 34 HG2 GLU 34 4.072 -8.354 -3.321 261 HG3 GLU 34 HG1 GLU 34 2.540 -9.079 -3.798 262 H VAL 35 HN VAL 35 2.238 -3.481 -2.350 263 HA VAL 35 HA VAL 35 1.763 -3.698 0.536 264 HB VAL 35 HB VAL 35 3.272 -1.917 -0.178 265 HG11 VAL 35 HG11 VAL 35 2.460 0.014 -1.429 266 HG12 VAL 35 HG12 VAL 35 0.908 -0.795 -1.658 267 HG13 VAL 35 HG13 VAL 35 2.367 -1.466 -2.385 268 HG21 VAL 35 HG21 VAL 35 2.141 -0.034 0.967 269 HG22 VAL 35 HG22 VAL 35 2.066 -1.561 1.844 270 HG23 VAL 35 HG23 VAL 35 0.658 -0.986 0.957 271 H GLU 36 HN GLU 36 -0.196 -3.647 1.378 272 HA GLU 36 HA GLU 36 -2.474 -2.775 -0.275 273 HB2 GLU 36 HB2 GLU 36 -2.717 -4.381 2.253 274 HB3 GLU 36 HB1 GLU 36 -3.861 -4.244 0.929 275 HG2 GLU 36 HG2 GLU 36 -1.209 -5.646 0.728 276 HG3 GLU 36 HG1 GLU 36 -2.732 -6.446 1.108 277 H VAL 37 HN VAL 37 -2.868 -0.697 0.218 278 HA VAL 37 HA VAL 37 -2.614 0.109 3.045 279 HB VAL 37 HB VAL 37 -2.443 1.914 0.627 280 HG11 VAL 37 HG11 VAL 37 -1.882 2.457 3.536 281 HG12 VAL 37 HG12 VAL 37 -3.270 3.039 2.613 282 HG13 VAL 37 HG13 VAL 37 -1.644 3.594 2.207 283 HG21 VAL 37 HG21 VAL 37 -0.041 2.107 1.205 284 HG22 VAL 37 HG22 VAL 37 -0.509 0.504 0.643 285 HG23 VAL 37 HG23 VAL 37 -0.256 0.795 2.364 286 H VAL 38 HN VAL 38 -4.299 0.872 4.060 287 HA VAL 38 HA VAL 38 -6.436 2.172 2.513 288 HB VAL 38 HB VAL 38 -6.784 0.802 5.191 289 HG11 VAL 38 HG11 VAL 38 -8.789 2.124 3.383 290 HG12 VAL 38 HG12 VAL 38 -8.243 2.705 4.956 291 HG13 VAL 38 HG13 VAL 38 -9.175 1.212 4.843 292 HG21 VAL 38 HG21 VAL 38 -6.492 -0.844 3.421 293 HG22 VAL 38 HG22 VAL 38 -7.740 -0.048 2.463 294 HG23 VAL 38 HG23 VAL 38 -8.163 -0.830 3.987 295 H SER 39 HN SER 39 -5.775 4.245 2.662 296 HA SER 39 HA SER 39 -5.411 5.380 5.311 297 HB2 SER 39 HB2 SER 39 -3.153 4.638 4.546 298 HB3 SER 39 HB1 SER 39 -3.322 5.701 3.149 299 HG SER 39 HG SER 39 -2.573 6.295 5.673 300 H GLU 40 HN GLU 40 -5.246 7.713 5.233 301 HA GLU 40 HA GLU 40 -7.550 8.699 3.961 302 HB2 GLU 40 HB2 GLU 40 -6.943 10.830 5.027 303 HB3 GLU 40 HB1 GLU 40 -6.815 9.466 6.126 304 HG2 GLU 40 HG2 GLU 40 -4.407 9.414 5.819 305 HG3 GLU 40 HG1 GLU 40 -4.522 10.773 4.700 306 H GLN 41 HN GLN 41 -4.766 8.132 2.449 307 HA GLN 41 HA GLN 41 -4.594 10.648 0.959 308 HB2 GLN 41 HB2 GLN 41 -2.909 8.178 1.084 309 HB3 GLN 41 HB1 GLN 41 -2.831 9.179 -0.357 310 HG2 GLN 41 HG2 GLN 41 -1.048 9.792 1.102 311 HG3 GLN 41 HG1 GLN 41 -2.218 11.106 1.064 312 HE21 GLN 41 HE21 GLN 41 -2.676 8.158 2.888 313 HE22 GLN 41 HE22 GLN 41 -2.537 8.875 4.447 314 H PHE 42 HN PHE 42 -6.465 8.106 1.028 315 HA PHE 42 HA PHE 42 -6.905 8.021 -1.880 316 HB2 PHE 42 HB2 PHE 42 -7.570 5.950 0.222 317 HB3 PHE 42 HB1 PHE 42 -7.802 5.765 -1.514 318 HD1 PHE 42 HD1 PHE 42 -5.116 7.069 -2.275 319 HD2 PHE 42 HD2 PHE 42 -6.176 4.064 0.540 320 HE1 PHE 42 HE1 PHE 42 -2.866 6.096 -2.471 321 HE2 PHE 42 HE2 PHE 42 -3.934 3.096 0.361 322 HZ PHE 42 HZ PHE 42 -2.274 4.107 -1.145 323 H GLU 43 HN GLU 43 -7.886 9.923 0.140 324 HA GLU 43 HA GLU 43 -10.520 8.955 0.964 325 HB2 GLU 43 HB2 GLU 43 -8.916 10.093 2.531 326 HB3 GLU 43 HB1 GLU 43 -9.189 11.578 1.634 327 HG2 GLU 43 HG2 GLU 43 -11.541 11.530 2.235 328 HG3 GLU 43 HG1 GLU 43 -11.300 10.009 3.096 329 H GLY 44 HN GLY 44 -12.234 9.257 -0.319 330 HA2 GLY 44 HA2 GLY 44 -13.523 10.101 -2.024 331 HA3 GLY 44 HA1 GLY 44 -13.018 11.687 -1.452 332 H LYS 45 HN LYS 45 -10.648 9.425 -2.466 333 HA LYS 45 HA LYS 45 -9.913 11.170 -4.687 334 HB2 LYS 45 HB2 LYS 45 -8.381 8.933 -3.366 335 HB3 LYS 45 HB1 LYS 45 -7.752 10.062 -4.518 336 HG2 LYS 45 HG2 LYS 45 -8.789 10.927 -1.857 337 HG3 LYS 45 HG1 LYS 45 -7.098 10.527 -2.165 338 HD2 LYS 45 HD2 LYS 45 -7.049 12.266 -3.928 339 HD3 LYS 45 HD1 LYS 45 -8.708 12.697 -3.509 340 HE2 LYS 45 HE2 LYS 45 -8.026 13.329 -1.283 341 HE3 LYS 45 HE1 LYS 45 -6.381 12.777 -1.595 342 HZ1 LYS 45 HZ1 LYS 45 -7.754 15.046 -2.925 343 HZ2 LYS 45 HZ2 LYS 45 -6.214 14.484 -3.328 344 HZ3 LYS 45 HZ3 LYS 45 -6.496 15.152 -1.801 345 H ARG 46 HN ARG 46 -9.169 10.150 -6.652 346 HA ARG 46 HA ARG 46 -10.660 7.709 -7.254 347 HB2 ARG 46 HB2 ARG 46 -9.392 9.800 -9.020 348 HB3 ARG 46 HB1 ARG 46 -9.948 8.262 -9.650 349 HG2 ARG 46 HG2 ARG 46 -11.661 9.833 -10.062 350 HG3 ARG 46 HG1 ARG 46 -12.218 8.812 -8.738 351 HD2 ARG 46 HD2 ARG 46 -11.543 10.541 -7.137 352 HD3 ARG 46 HD1 ARG 46 -11.002 11.559 -8.471 353 HE ARG 46 HE ARG 46 -13.675 10.882 -8.922 354 HH11 ARG 46 HH11 ARG 46 -11.755 12.728 -6.661 355 HH12 ARG 46 HH12 ARG 46 -13.018 13.863 -6.311 356 HH21 ARG 46 HH21 ARG 46 -15.343 12.384 -8.474 357 HH22 ARG 46 HH22 ARG 46 -15.065 13.668 -7.342 358 H LEU 47 HN LEU 47 -9.668 5.883 -7.937 359 HA LEU 47 HA LEU 47 -7.476 4.895 -6.825 360 HB2 LEU 47 HB2 LEU 47 -8.496 4.280 -9.579 361 HB3 LEU 47 HB1 LEU 47 -7.254 3.329 -8.790 362 HG LEU 47 HG LEU 47 -10.005 3.747 -7.624 363 HD11 LEU 47 HD11 LEU 47 -8.959 1.423 -9.234 364 HD12 LEU 47 HD12 LEU 47 -10.173 2.587 -9.765 365 HD13 LEU 47 HD13 LEU 47 -10.522 1.503 -8.419 366 HD21 LEU 47 HD21 LEU 47 -8.271 3.152 -6.012 367 HD22 LEU 47 HD22 LEU 47 -7.813 1.770 -7.003 368 HD23 LEU 47 HD23 LEU 47 -9.403 1.822 -6.243 369 H LEU 48 HN LEU 48 -7.337 6.648 -9.877 370 HA LEU 48 HA LEU 48 -4.598 6.190 -10.402 371 HB2 LEU 48 HB2 LEU 48 -6.435 8.405 -11.301 372 HB3 LEU 48 HB1 LEU 48 -4.791 8.221 -11.878 373 HG LEU 48 HG LEU 48 -6.983 6.180 -12.253 374 HD11 LEU 48 HD11 LEU 48 -6.965 6.896 -14.585 375 HD12 LEU 48 HD12 LEU 48 -5.790 8.151 -14.195 376 HD13 LEU 48 HD13 LEU 48 -7.414 8.222 -13.513 377 HD21 LEU 48 HD21 LEU 48 -4.754 5.192 -12.184 378 HD22 LEU 48 HD22 LEU 48 -4.197 6.346 -13.394 379 HD23 LEU 48 HD23 LEU 48 -5.415 5.143 -13.816 380 H GLU 49 HN GLU 49 -6.277 8.982 -9.038 381 HA GLU 49 HA GLU 49 -4.036 10.503 -8.292 382 HB2 GLU 49 HB2 GLU 49 -6.495 10.483 -6.587 383 HB3 GLU 49 HB1 GLU 49 -5.529 11.848 -7.126 384 HG2 GLU 49 HG2 GLU 49 -7.379 10.227 -8.851 385 HG3 GLU 49 HG1 GLU 49 -7.750 11.803 -8.146 386 H ARG 50 HN ARG 50 -5.857 7.967 -6.796 387 HA ARG 50 HA ARG 50 -4.815 7.958 -4.216 388 HB2 ARG 50 HB2 ARG 50 -5.912 5.818 -6.032 389 HB3 ARG 50 HB1 ARG 50 -5.377 5.437 -4.384 390 HG2 ARG 50 HG2 ARG 50 -6.989 7.187 -3.581 391 HG3 ARG 50 HG1 ARG 50 -7.591 7.289 -5.233 392 HD2 ARG 50 HD2 ARG 50 -7.901 4.738 -5.036 393 HD3 ARG 50 HD1 ARG 50 -7.752 5.001 -3.304 394 HE ARG 50 HE ARG 50 -9.639 6.807 -4.268 395 HH11 ARG 50 HH11 ARG 50 -9.289 3.346 -3.819 396 HH12 ARG 50 HH12 ARG 50 -11.003 3.060 -3.813 397 HH21 ARG 50 HH21 ARG 50 -11.864 6.434 -4.246 398 HH22 ARG 50 HH22 ARG 50 -12.469 4.820 -4.043 399 H HIS 51 HN HIS 51 -3.757 6.145 -7.080 400 HA HIS 51 HA HIS 51 -1.524 4.968 -5.761 401 HB2 HIS 51 HB2 HIS 51 -2.087 5.314 -8.714 402 HB3 HIS 51 HB1 HIS 51 -0.776 4.342 -8.060 403 HD1 HIS 51 HD1 HIS 51 -3.525 3.530 -9.733 404 HD2 HIS 51 HD2 HIS 51 -2.504 2.684 -5.809 405 HE1 HIS 51 HE1 HIS 51 -4.854 1.506 -9.086 406 HE2 HIS 51 HE2 HIS 51 -4.117 0.930 -6.768 407 H ARG 52 HN ARG 52 -1.949 7.760 -7.836 408 HA ARG 52 HA ARG 52 0.782 8.406 -8.139 409 HB2 ARG 52 HB2 ARG 52 -0.925 9.242 -9.660 410 HB3 ARG 52 HB1 ARG 52 -1.725 10.090 -8.351 411 HG2 ARG 52 HG2 ARG 52 1.087 10.827 -8.827 412 HG3 ARG 52 HG1 ARG 52 -0.059 11.258 -10.098 413 HD2 ARG 52 HD2 ARG 52 -0.312 11.973 -7.176 414 HD3 ARG 52 HD1 ARG 52 0.213 13.063 -8.458 415 HE ARG 52 HE ARG 52 -2.251 12.107 -9.248 416 HH11 ARG 52 HH11 ARG 52 -0.983 13.892 -6.527 417 HH12 ARG 52 HH12 ARG 52 -2.448 14.776 -6.249 418 HH21 ARG 52 HH21 ARG 52 -4.209 13.263 -8.880 419 HH22 ARG 52 HH22 ARG 52 -4.285 14.409 -7.583 420 H MET 53 HN MET 53 -1.324 8.632 -5.500 421 HA MET 53 HA MET 53 0.035 10.962 -4.396 422 HB2 MET 53 HB2 MET 53 -2.487 10.692 -4.357 423 HB3 MET 53 HB1 MET 53 -2.250 9.416 -3.173 424 HG2 MET 53 HG2 MET 53 -2.815 11.467 -2.053 425 HG3 MET 53 HG1 MET 53 -1.153 11.015 -1.675 426 HE1 MET 53 HE1 MET 53 -2.434 13.905 -1.166 427 HE2 MET 53 HE2 MET 53 -1.111 14.950 -1.684 428 HE3 MET 53 HE3 MET 53 -0.772 13.500 -0.740 429 H VAL 54 HN VAL 54 -0.570 7.571 -3.735 430 HA VAL 54 HA VAL 54 0.802 7.534 -1.244 431 HB VAL 54 HB VAL 54 -0.816 5.802 -2.581 432 HG11 VAL 54 HG11 VAL 54 0.946 4.949 -4.002 433 HG12 VAL 54 HG12 VAL 54 0.363 3.694 -2.904 434 HG13 VAL 54 HG13 VAL 54 1.893 4.511 -2.580 435 HG21 VAL 54 HG21 VAL 54 -0.677 5.917 -0.196 436 HG22 VAL 54 HG22 VAL 54 0.972 5.292 -0.218 437 HG23 VAL 54 HG23 VAL 54 -0.371 4.244 -0.671 438 H ASN 55 HN ASN 55 1.670 6.842 -4.568 439 HA ASN 55 HA ASN 55 4.303 5.975 -3.830 440 HB2 ASN 55 HB2 ASN 55 4.719 5.547 -6.032 441 HB3 ASN 55 HB1 ASN 55 2.970 5.361 -6.007 442 HD21 ASN 55 HD21 ASN 55 2.285 8.073 -5.928 443 HD22 ASN 55 HD22 ASN 55 2.801 8.846 -7.385 444 H ALA 56 HN ALA 56 2.784 8.966 -4.280 445 HA ALA 56 HA ALA 56 5.016 10.497 -5.070 446 HB1 ALA 56 HB1 ALA 56 2.756 11.441 -5.020 447 HB2 ALA 56 HB2 ALA 56 3.870 12.414 -4.060 448 HB3 ALA 56 HB3 ALA 56 2.740 11.320 -3.261 449 H ALA 57 HN ALA 57 3.863 9.305 -2.004 450 HA ALA 57 HA ALA 57 5.998 10.617 -0.518 451 HB1 ALA 57 HB1 ALA 57 4.790 9.737 1.450 452 HB2 ALA 57 HB2 ALA 57 3.640 8.956 0.362 453 HB3 ALA 57 HB3 ALA 57 3.760 10.714 0.403 454 H LEU 58 HN LEU 58 5.730 7.928 -2.308 455 HA LEU 58 HA LEU 58 7.472 6.303 -0.601 456 HB2 LEU 58 HB2 LEU 58 4.883 5.627 -1.878 457 HB3 LEU 58 HB1 LEU 58 6.139 4.425 -1.943 458 HG LEU 58 HG LEU 58 4.742 3.913 -0.078 459 HD11 LEU 58 HD11 LEU 58 7.220 5.243 0.988 460 HD12 LEU 58 HD12 LEU 58 7.145 3.626 0.292 461 HD13 LEU 58 HD13 LEU 58 6.275 3.986 1.783 462 HD21 LEU 58 HD21 LEU 58 4.397 5.536 1.765 463 HD22 LEU 58 HD22 LEU 58 3.634 6.007 0.246 464 HD23 LEU 58 HD23 LEU 58 5.137 6.778 0.754 465 H GLU 59 HN GLU 59 7.341 8.055 -3.178 466 HA GLU 59 HA GLU 59 8.143 6.402 -5.338 467 HB2 GLU 59 HB2 GLU 59 7.201 8.631 -5.733 468 HB3 GLU 59 HB1 GLU 59 8.556 9.367 -4.861 469 HG2 GLU 59 HG2 GLU 59 10.076 8.422 -6.609 470 HG3 GLU 59 HG1 GLU 59 8.635 7.942 -7.504 471 H GLU 60 HN GLU 60 9.709 8.015 -2.756 472 HA GLU 60 HA GLU 60 12.371 7.719 -3.767 473 HB2 GLU 60 HB2 GLU 60 12.786 8.375 -1.224 474 HB3 GLU 60 HB1 GLU 60 12.280 9.552 -2.421 475 HG2 GLU 60 HG2 GLU 60 10.961 9.986 -0.545 476 HG3 GLU 60 HG1 GLU 60 9.896 9.130 -1.657 477 H GLU 61 HN GLU 61 10.169 6.082 -1.677 478 HA GLU 61 HA GLU 61 11.894 4.116 -0.651 479 HB2 GLU 61 HB2 GLU 61 9.502 4.789 0.034 480 HB3 GLU 61 HB1 GLU 61 8.979 3.727 -1.261 481 HG2 GLU 61 HG2 GLU 61 8.879 2.546 0.829 482 HG3 GLU 61 HG1 GLU 61 10.133 1.845 -0.190 483 H MET 62 HN MET 62 9.869 4.348 -3.531 484 HA MET 62 HA MET 62 10.334 1.715 -4.458 485 HB2 MET 62 HB2 MET 62 9.521 4.189 -5.986 486 HB3 MET 62 HB1 MET 62 9.546 2.570 -6.668 487 HG2 MET 62 HG2 MET 62 7.942 1.919 -4.822 488 HG3 MET 62 HG1 MET 62 7.771 3.644 -4.500 489 HE1 MET 62 HE1 MET 62 6.399 4.878 -8.023 490 HE2 MET 62 HE2 MET 62 8.080 4.779 -7.498 491 HE3 MET 62 HE3 MET 62 6.847 5.400 -6.401 492 H LYS 63 HN LYS 63 12.149 4.654 -4.690 493 HA LYS 63 HA LYS 63 13.840 3.809 -6.825 494 HB2 LYS 63 HB2 LYS 63 14.214 5.938 -4.717 495 HB3 LYS 63 HB1 LYS 63 15.312 5.682 -6.067 496 HG2 LYS 63 HG2 LYS 63 13.489 6.155 -7.631 497 HG3 LYS 63 HG1 LYS 63 12.406 6.439 -6.266 498 HD2 LYS 63 HD2 LYS 63 13.875 8.262 -5.509 499 HD3 LYS 63 HD1 LYS 63 14.906 7.996 -6.917 500 HE2 LYS 63 HE2 LYS 63 12.986 8.489 -8.378 501 HE3 LYS 63 HE1 LYS 63 12.007 8.817 -6.951 502 HZ1 LYS 63 HZ1 LYS 63 12.841 10.855 -7.892 503 HZ2 LYS 63 HZ2 LYS 63 14.434 10.307 -7.776 504 HZ3 LYS 63 HZ3 LYS 63 13.538 10.606 -6.372 505 H GLU 64 HN GLU 64 13.696 3.069 -3.477 506 HA GLU 64 HA GLU 64 16.494 2.201 -3.475 507 HB2 GLU 64 HB2 GLU 64 15.686 3.525 -1.549 508 HB3 GLU 64 HB1 GLU 64 14.522 2.258 -1.190 509 HG2 GLU 64 HG2 GLU 64 16.113 0.825 -0.393 510 HG3 GLU 64 HG1 GLU 64 17.396 1.533 -1.372 511 H ILE 65 HN ILE 65 13.295 1.027 -3.662 512 HA ILE 65 HA ILE 65 14.266 -1.750 -3.576 513 HB ILE 65 HB ILE 65 12.064 -2.508 -3.230 514 HG12 ILE 65 HG12 ILE 65 11.327 -0.011 -4.551 515 HG13 ILE 65 HG11 ILE 65 10.491 -1.546 -4.510 516 HG21 ILE 65 HG21 ILE 65 12.438 0.031 -1.653 517 HG22 ILE 65 HG22 ILE 65 13.005 -1.583 -1.225 518 HG23 ILE 65 HG23 ILE 65 11.277 -1.234 -1.255 519 HD11 ILE 65 HD11 ILE 65 10.355 0.565 -2.378 520 HD12 ILE 65 HD12 ILE 65 9.531 -0.995 -2.343 521 HD13 ILE 65 HD13 ILE 65 9.109 0.198 -3.572 522 H HIS 66 HN HIS 66 12.383 -2.903 -5.292 523 HA HIS 66 HA HIS 66 13.181 -1.620 -7.815 524 HB2 HIS 66 HB2 HIS 66 12.588 -4.514 -7.229 525 HB3 HIS 66 HB1 HIS 66 12.792 -3.874 -8.859 526 HD1 HIS 66 HD1 HIS 66 15.178 -2.117 -8.623 527 HD2 HIS 66 HD2 HIS 66 14.929 -5.761 -6.673 528 HE1 HIS 66 HE1 HIS 66 17.529 -2.785 -8.104 529 HE2 HIS 66 HE2 HIS 66 17.363 -5.098 -7.158 530 H ALA 67 HN ALA 67 10.481 -2.319 -5.889 531 HA ALA 67 HA ALA 67 8.603 -1.165 -7.591 532 HB1 ALA 67 HB1 ALA 67 7.294 -3.089 -8.316 533 HB2 ALA 67 HB2 ALA 67 8.485 -4.181 -7.609 534 HB3 ALA 67 HB3 ALA 67 8.927 -3.160 -8.978 535 H LEU 68 HN LEU 68 6.917 -0.588 -6.402 536 HA LEU 68 HA LEU 68 6.185 -2.192 -4.047 537 HB2 LEU 68 HB2 LEU 68 7.045 0.311 -3.870 538 HB3 LEU 68 HB1 LEU 68 5.397 0.657 -4.351 539 HG LEU 68 HG LEU 68 4.555 -0.572 -2.396 540 HD11 LEU 68 HD11 LEU 68 7.463 -0.754 -1.629 541 HD12 LEU 68 HD12 LEU 68 6.421 -2.100 -2.086 542 HD13 LEU 68 HD13 LEU 68 6.093 -1.196 -0.609 543 HD21 LEU 68 HD21 LEU 68 6.528 1.621 -1.771 544 HD22 LEU 68 HD22 LEU 68 5.204 1.097 -0.732 545 HD23 LEU 68 HD23 LEU 68 4.857 1.841 -2.292 546 H SER 69 HN SER 69 4.501 -3.373 -4.734 547 HA SER 69 HA SER 69 2.726 -2.337 -6.767 548 HB2 SER 69 HB2 SER 69 2.489 -4.984 -5.342 549 HB3 SER 69 HB1 SER 69 1.872 -4.548 -6.934 550 HG SER 69 HG SER 69 4.216 -5.633 -6.310 551 H ILE 70 HN ILE 70 1.513 -0.748 -5.786 552 HA ILE 70 HA ILE 70 0.086 -1.314 -3.354 553 HB ILE 70 HB ILE 70 0.797 0.955 -3.697 554 HG12 ILE 70 HG12 ILE 70 -1.394 2.192 -3.600 555 HG13 ILE 70 HG11 ILE 70 -2.196 0.670 -3.966 556 HG21 ILE 70 HG21 ILE 70 -0.008 2.364 -5.526 557 HG22 ILE 70 HG22 ILE 70 -0.792 0.958 -6.247 558 HG23 ILE 70 HG23 ILE 70 0.964 1.009 -6.098 559 HD11 ILE 70 HD11 ILE 70 -0.452 1.198 -1.576 560 HD12 ILE 70 HD12 ILE 70 -1.298 -0.307 -1.936 561 HD13 ILE 70 HD13 ILE 70 -2.216 1.157 -1.585 562 H LYS 71 HN LYS 71 -0.993 -3.129 -3.873 563 HA LYS 71 HA LYS 71 -2.605 -3.278 -6.264 564 HB2 LYS 71 HB2 LYS 71 -2.873 -5.237 -4.015 565 HB3 LYS 71 HB1 LYS 71 -2.973 -5.514 -5.749 566 HG2 LYS 71 HG2 LYS 71 -0.481 -4.895 -5.778 567 HG3 LYS 71 HG1 LYS 71 -0.560 -5.158 -4.033 568 HD2 LYS 71 HD2 LYS 71 -1.246 -7.160 -6.192 569 HD3 LYS 71 HD1 LYS 71 0.189 -7.180 -5.169 570 HE2 LYS 71 HE2 LYS 71 -2.653 -7.440 -4.190 571 HE3 LYS 71 HE1 LYS 71 -1.538 -8.782 -4.439 572 HZ1 LYS 71 HZ1 LYS 71 -0.065 -7.753 -2.783 573 HZ2 LYS 71 HZ2 LYS 71 -1.565 -8.176 -2.142 574 HZ3 LYS 71 HZ3 LYS 71 -1.230 -6.552 -2.496 575 H LYS 72 HN LYS 72 -3.052 -2.386 -2.989 576 HA LYS 72 HA LYS 72 -5.890 -1.943 -3.562 577 HB2 LYS 72 HB2 LYS 72 -4.776 -3.522 -1.337 578 HB3 LYS 72 HB1 LYS 72 -6.022 -2.358 -0.898 579 HG2 LYS 72 HG2 LYS 72 -7.413 -3.360 -2.764 580 HG3 LYS 72 HG1 LYS 72 -6.224 -4.659 -2.818 581 HD2 LYS 72 HD2 LYS 72 -7.689 -3.864 -0.309 582 HD3 LYS 72 HD1 LYS 72 -8.281 -5.099 -1.419 583 HE2 LYS 72 HE2 LYS 72 -5.603 -5.159 -0.031 584 HE3 LYS 72 HE1 LYS 72 -7.037 -6.026 0.511 585 HZ1 LYS 72 HZ1 LYS 72 -5.843 -7.584 -0.703 586 HZ2 LYS 72 HZ2 LYS 72 -5.407 -6.486 -1.906 587 HZ3 LYS 72 HZ3 LYS 72 -6.999 -7.054 -1.816 588 H ALA 73 HN ALA 73 -6.299 0.018 -3.515 589 HA ALA 73 HA ALA 73 -5.120 1.734 -1.436 590 HB1 ALA 73 HB1 ALA 73 -5.766 2.503 -4.287 591 HB2 ALA 73 HB2 ALA 73 -4.150 2.290 -3.612 592 HB3 ALA 73 HB3 ALA 73 -5.183 3.599 -3.035 593 H GLN 74 HN GLN 74 -6.815 1.638 -0.059 594 HA GLN 74 HA GLN 74 -9.367 2.760 -1.025 595 HB2 GLN 74 HB2 GLN 74 -9.006 0.399 0.828 596 HB3 GLN 74 HB1 GLN 74 -10.541 1.208 0.547 597 HG2 GLN 74 HG2 GLN 74 -8.897 -0.134 -1.587 598 HG3 GLN 74 HG1 GLN 74 -10.259 -0.876 -0.748 599 HE21 GLN 74 HE21 GLN 74 -11.836 1.535 -0.645 600 HE22 GLN 74 HE22 GLN 74 -12.399 1.839 -2.250 601 H THR 75 HN THR 75 -10.616 3.880 0.569 602 HA THR 75 HA THR 75 -9.149 4.613 2.991 603 HB THR 75 HB THR 75 -11.202 6.437 2.696 604 HG1 THR 75 HG1 THR 75 -10.066 6.824 0.282 605 HG21 THR 75 HG21 THR 75 -9.409 8.029 2.228 606 HG22 THR 75 HG22 THR 75 -8.311 6.697 1.877 607 HG23 THR 75 HG23 THR 75 -8.945 6.909 3.506 608 HA PRO 76 HA PRO 76 -12.121 2.774 5.647 609 HB2 PRO 76 HB2 PRO 76 -11.993 5.283 7.229 610 HB3 PRO 76 HB1 PRO 76 -11.702 3.614 7.732 611 HG2 PRO 76 HG2 PRO 76 -9.671 5.287 7.397 612 HG3 PRO 76 HG1 PRO 76 -9.545 3.596 6.879 613 HD2 PRO 76 HD2 PRO 76 -10.017 6.050 5.236 614 HD3 PRO 76 HD1 PRO 76 -8.996 4.642 4.891 615 H GLN 77 HN GLN 77 -12.836 5.734 4.038 616 HA GLN 77 HA GLN 77 -15.507 5.912 5.120 617 HB2 GLN 77 HB2 GLN 77 -15.572 7.949 4.208 618 HB3 GLN 77 HB1 GLN 77 -13.900 7.691 3.746 619 HG2 GLN 77 HG2 GLN 77 -15.867 6.619 1.864 620 HG3 GLN 77 HG1 GLN 77 -15.860 8.381 2.023 621 HE21 GLN 77 HE21 GLN 77 -13.193 6.275 2.492 622 HE22 GLN 77 HE22 GLN 77 -12.302 6.712 1.081 623 H GLN 78 HN GLN 78 -14.040 4.356 2.350 624 HA GLN 78 HA GLN 78 -16.677 3.477 1.416 625 HB2 GLN 78 HB2 GLN 78 -13.976 2.954 0.197 626 HB3 GLN 78 HB1 GLN 78 -15.532 2.604 -0.542 627 HG2 GLN 78 HG2 GLN 78 -15.551 4.610 -1.484 628 HG3 GLN 78 HG1 GLN 78 -15.388 5.382 0.101 629 HE21 GLN 78 HE21 GLN 78 -12.951 4.160 0.752 630 HE22 GLN 78 HE22 GLN 78 -11.726 4.951 -0.176 631 H TRP 79 HN TRP 79 -13.593 2.437 2.639 632 HA TRP 79 HA TRP 79 -14.024 -0.313 2.850 633 HB2 TRP 79 HB2 TRP 79 -12.171 1.625 3.812 634 HB3 TRP 79 HB1 TRP 79 -12.728 0.692 5.204 635 HD1 TRP 79 HD1 TRP 79 -11.774 -0.311 1.602 636 HE1 TRP 79 HE1 TRP 79 -10.167 -2.283 1.738 637 HE3 TRP 79 HE3 TRP 79 -11.450 -0.743 6.677 638 HZ2 TRP 79 HZ2 TRP 79 -8.872 -3.843 3.743 639 HZ3 TRP 79 HZ3 TRP 79 -10.009 -2.499 7.624 640 HH2 TRP 79 HH2 TRP 79 -8.753 -4.011 6.184 641 H LYS 80 HN LYS 80 -15.011 2.446 4.621 642 HA LYS 80 HA LYS 80 -16.138 2.760 6.558 643 HB2 LYS 80 HB2 LYS 80 -18.553 2.004 6.155 644 HB3 LYS 80 HB1 LYS 80 -17.788 3.012 4.941 645 HG2 LYS 80 HG2 LYS 80 -17.383 1.092 3.542 646 HG3 LYS 80 HG1 LYS 80 -18.080 0.022 4.767 647 HD2 LYS 80 HD2 LYS 80 -20.239 1.093 4.520 648 HD3 LYS 80 HD1 LYS 80 -19.558 2.265 3.391 649 HE2 LYS 80 HE2 LYS 80 -19.628 -0.713 2.927 650 HE3 LYS 80 HE1 LYS 80 -20.823 0.420 2.298 651 HZ1 LYS 80 HZ1 LYS 80 -19.146 -0.101 0.648 652 HZ2 LYS 80 HZ2 LYS 80 -17.915 0.444 1.674 653 HZ3 LYS 80 HZ3 LYS 80 -19.062 1.533 1.073 654 HA PRO 81 HA PRO 81 -16.625 -0.514 9.712 655 HB2 PRO 81 HB2 PRO 81 -19.299 -1.548 8.880 656 HB3 PRO 81 HB1 PRO 81 -18.697 -1.161 10.496 657 HG2 PRO 81 HG2 PRO 81 -20.358 0.498 9.289 658 HG3 PRO 81 HG1 PRO 81 -18.962 1.134 10.182 659 HD2 PRO 81 HD2 PRO 81 -19.348 0.815 7.236 660 HD3 PRO 81 HD1 PRO 81 -18.584 2.147 8.132 661 HA PRO 82 HA PRO 82 -15.030 -3.516 6.779 662 HB2 PRO 82 HB2 PRO 82 -13.438 -4.829 8.576 663 HB3 PRO 82 HB1 PRO 82 -12.983 -3.323 7.775 664 HG2 PRO 82 HG2 PRO 82 -14.100 -3.753 10.515 665 HG3 PRO 82 HG1 PRO 82 -12.803 -2.661 9.992 666 HD2 PRO 82 HD2 PRO 82 -15.301 -1.783 10.470 667 HD3 PRO 82 HD1 PRO 82 -14.286 -1.077 9.197 668 H SER 83 HN SER 83 -15.645 -5.489 6.185 669 HA SER 83 HA SER 83 -16.504 -7.468 8.100 670 HB2 SER 83 HB2 SER 83 -18.565 -6.123 7.660 671 HB3 SER 83 HB1 SER 83 -18.413 -6.512 5.948 672 HG SER 83 HG SER 83 -19.035 -8.519 6.320 673 H GLN 84 HN GLN 84 -14.332 -7.212 6.405 674 HA GLN 84 HA GLN 84 -14.907 -8.795 4.008 675 HB2 GLN 84 HB2 GLN 84 -12.495 -7.172 4.802 676 HB3 GLN 84 HB1 GLN 84 -12.649 -8.061 3.292 677 HG2 GLN 84 HG2 GLN 84 -14.526 -6.680 2.649 678 HG3 GLN 84 HG1 GLN 84 -14.449 -5.838 4.195 679 HE21 GLN 84 HE21 GLN 84 -11.517 -5.803 4.188 680 HE22 GLN 84 HE22 GLN 84 -11.062 -4.611 3.041 681 H ASP 85 HN ASP 85 -13.516 -8.936 7.096 682 HA ASP 85 HA ASP 85 -11.917 -11.271 6.561 683 HB2 ASP 85 HB2 ASP 85 -11.192 -9.722 8.299 684 HB3 ASP 85 HB1 ASP 85 -12.709 -9.939 9.157 685 H SER 86 HN SER 86 -15.090 -10.557 6.957 686 HA SER 86 HA SER 86 -15.816 -13.200 8.013 687 HB2 SER 86 HB2 SER 86 -16.826 -11.240 9.146 688 HB3 SER 86 HB1 SER 86 -17.546 -10.742 7.616 689 HG SER 86 HG SER 86 -18.480 -12.475 9.410 690 H ALA 87 HN ALA 87 -16.804 -10.877 5.536 691 HA ALA 87 HA ALA 87 -17.955 -12.944 3.866 692 HB1 ALA 87 HB1 ALA 87 -17.801 -9.955 3.608 693 HB2 ALA 87 HB2 ALA 87 -19.212 -10.939 3.983 694 HB3 ALA 87 HB3 ALA 87 -18.498 -10.996 2.372 695 H THR 88 HN THR 88 -15.125 -12.920 4.415 696 HA THR 88 HA THR 88 -13.345 -11.896 2.654 697 HB THR 88 HB THR 88 -13.351 -14.673 3.816 698 HG1 THR 88 HG1 THR 88 -12.919 -12.122 4.827 699 HG21 THR 88 HG21 THR 88 -11.564 -14.357 2.136 700 HG22 THR 88 HG22 THR 88 -10.916 -14.521 3.768 701 HG23 THR 88 HG23 THR 88 -11.015 -12.929 3.015 702 H LEU 89 HN LEU 89 -15.837 -13.897 1.622 703 HA LEU 89 HA LEU 89 -14.229 -14.907 -0.620 704 HB2 LEU 89 HB2 LEU 89 -16.610 -16.254 0.666 705 HB3 LEU 89 HB1 LEU 89 -15.698 -16.864 -0.702 706 HG LEU 89 HG LEU 89 -14.567 -16.469 2.069 707 HD11 LEU 89 HD11 LEU 89 -15.440 -18.987 0.666 708 HD12 LEU 89 HD12 LEU 89 -16.246 -18.230 2.040 709 HD13 LEU 89 HD13 LEU 89 -14.627 -18.902 2.229 710 HD21 LEU 89 HD21 LEU 89 -13.427 -17.824 -0.374 711 HD22 LEU 89 HD22 LEU 89 -12.683 -17.776 1.224 712 HD23 LEU 89 HD23 LEU 89 -12.894 -16.287 0.304 713 H THR 90 HN THR 90 -16.360 -12.687 0.288 714 HA THR 90 HA THR 90 -17.852 -12.850 -2.270 715 HB THR 90 HB THR 90 -18.689 -11.141 0.064 716 HG1 THR 90 HG1 THR 90 -18.522 -13.791 0.109 717 HG21 THR 90 HG21 THR 90 -20.900 -11.391 -0.919 718 HG22 THR 90 HG22 THR 90 -20.257 -12.485 -2.139 719 HG23 THR 90 HG23 THR 90 -19.766 -10.793 -2.130 720 H LYS 91 HN LYS 91 -15.174 -11.497 -1.072 721 HA LYS 91 HA LYS 91 -15.248 -9.152 -2.702 722 HB2 LYS 91 HB2 LYS 91 -15.087 -7.552 -0.717 723 HB3 LYS 91 HB1 LYS 91 -16.677 -8.223 -1.078 724 HG2 LYS 91 HG2 LYS 91 -16.106 -10.037 0.614 725 HG3 LYS 91 HG1 LYS 91 -14.786 -8.986 1.115 726 HD2 LYS 91 HD2 LYS 91 -16.879 -8.845 2.449 727 HD3 LYS 91 HD1 LYS 91 -16.281 -7.303 1.833 728 HE2 LYS 91 HE2 LYS 91 -17.938 -7.403 0.027 729 HE3 LYS 91 HE1 LYS 91 -18.513 -8.955 0.637 730 HZ1 LYS 91 HZ1 LYS 91 -18.622 -6.363 2.089 731 HZ2 LYS 91 HZ2 LYS 91 -19.158 -7.845 2.694 732 HZ3 LYS 91 HZ3 LYS 91 -19.932 -7.148 1.364 733 H ASP 92 HN ASP 92 -13.629 -11.134 -0.361 734 HA ASP 92 HA ASP 92 -11.272 -9.398 -0.391 735 HB2 ASP 92 HB2 ASP 92 -12.047 -10.246 1.786 736 HB3 ASP 92 HB1 ASP 92 -11.809 -11.897 1.224 737 H ALA 93 HN ALA 93 -12.110 -12.788 -1.015 738 HA ALA 93 HA ALA 93 -9.564 -13.080 -2.457 739 HB1 ALA 93 HB1 ALA 93 -11.386 -15.204 -1.326 740 HB2 ALA 93 HB2 ALA 93 -9.876 -14.642 -0.607 741 HB3 ALA 93 HB3 ALA 93 -9.854 -15.492 -2.153 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 20.089 -2.243 -1.421 2 H2 MET 1 HT2 MET 1 18.882 -2.747 -2.487 3 H3 MET 1 HT3 MET 1 20.382 -3.522 -2.488 4 HA MET 1 HA MET 1 18.762 -4.885 -1.387 5 HB2 MET 1 HB2 MET 1 20.716 -3.611 0.541 6 HB3 MET 1 HB1 MET 1 19.903 -5.147 0.792 7 HG2 MET 1 HG2 MET 1 21.891 -4.500 -1.367 8 HG3 MET 1 HG1 MET 1 22.160 -5.511 0.050 9 HE1 MET 1 HE1 MET 1 22.259 -8.150 -2.798 10 HE2 MET 1 HE2 MET 1 23.075 -7.494 -1.379 11 HE3 MET 1 HE3 MET 1 22.903 -6.508 -2.830 12 H VAL 2 HN VAL 2 17.092 -5.121 0.090 13 HA VAL 2 HA VAL 2 16.306 -2.987 1.822 14 HB VAL 2 HB VAL 2 15.501 -2.057 -0.277 15 HG11 VAL 2 HG11 VAL 2 15.287 -4.078 -1.584 16 HG12 VAL 2 HG12 VAL 2 13.762 -3.193 -1.590 17 HG13 VAL 2 HG13 VAL 2 13.949 -4.622 -0.572 18 HG21 VAL 2 HG21 VAL 2 13.089 -1.846 0.295 19 HG22 VAL 2 HG22 VAL 2 14.166 -1.586 1.664 20 HG23 VAL 2 HG23 VAL 2 13.306 -3.116 1.497 21 H THR 3 HN THR 3 14.863 -3.654 3.359 22 HA THR 3 HA THR 3 13.988 -6.462 3.214 23 HB THR 3 HB THR 3 13.862 -6.365 5.681 24 HG1 THR 3 HG1 THR 3 15.305 -4.184 6.170 25 HG21 THR 3 HG21 THR 3 16.276 -6.252 6.135 26 HG22 THR 3 HG22 THR 3 16.530 -5.491 4.565 27 HG23 THR 3 HG23 THR 3 15.933 -7.148 4.656 28 H LYS 4 HN LYS 4 11.870 -6.960 4.066 29 HA LYS 4 HA LYS 4 9.863 -5.000 3.504 30 HB2 LYS 4 HB2 LYS 4 8.884 -7.014 3.139 31 HB3 LYS 4 HB1 LYS 4 9.935 -7.847 4.271 32 HG2 LYS 4 HG2 LYS 4 8.561 -7.125 6.121 33 HG3 LYS 4 HG1 LYS 4 7.547 -6.171 5.041 34 HD2 LYS 4 HD2 LYS 4 6.705 -8.135 3.989 35 HD3 LYS 4 HD1 LYS 4 7.918 -9.151 4.770 36 HE2 LYS 4 HE2 LYS 4 5.847 -9.489 5.905 37 HE3 LYS 4 HE1 LYS 4 6.893 -8.556 6.967 38 HZ1 LYS 4 HZ1 LYS 4 4.714 -7.441 5.282 39 HZ2 LYS 4 HZ2 LYS 4 5.697 -6.551 6.342 40 HZ3 LYS 4 HZ3 LYS 4 4.630 -7.714 6.950 41 H GLU 5 HN GLU 5 11.913 -5.567 6.023 42 HA GLU 5 HA GLU 5 10.112 -5.048 8.203 43 HB2 GLU 5 HB2 GLU 5 13.091 -5.437 8.027 44 HB3 GLU 5 HB1 GLU 5 12.251 -5.122 9.545 45 HG2 GLU 5 HG2 GLU 5 11.143 -7.162 9.495 46 HG3 GLU 5 HG1 GLU 5 11.405 -7.372 7.768 47 H GLN 6 HN GLN 6 12.441 -3.328 6.304 48 HA GLN 6 HA GLN 6 12.131 -0.899 7.808 49 HB2 GLN 6 HB2 GLN 6 13.405 0.152 6.032 50 HB3 GLN 6 HB1 GLN 6 14.193 -1.333 6.530 51 HG2 GLN 6 HG2 GLN 6 14.340 -1.752 4.355 52 HG3 GLN 6 HG1 GLN 6 12.632 -2.184 4.467 53 HE21 GLN 6 HE21 GLN 6 11.080 -0.696 3.725 54 HE22 GLN 6 HE22 GLN 6 11.493 0.626 2.685 55 H VAL 7 HN VAL 7 10.530 -2.565 5.280 56 HA VAL 7 HA VAL 7 9.196 -0.340 4.062 57 HB VAL 7 HB VAL 7 8.660 -3.324 3.999 58 HG11 VAL 7 HG11 VAL 7 6.578 -2.100 3.668 59 HG12 VAL 7 HG12 VAL 7 7.096 -2.918 2.195 60 HG13 VAL 7 HG13 VAL 7 7.329 -1.179 2.367 61 HG21 VAL 7 HG21 VAL 7 9.814 -1.446 1.941 62 HG22 VAL 7 HG22 VAL 7 9.482 -3.160 1.690 63 HG23 VAL 7 HG23 VAL 7 10.698 -2.661 2.864 64 H GLU 8 HN GLU 8 8.637 -2.640 6.529 65 HA GLU 8 HA GLU 8 6.071 -2.249 7.382 66 HB2 GLU 8 HB2 GLU 8 8.694 -2.777 8.716 67 HB3 GLU 8 HB1 GLU 8 7.228 -2.628 9.682 68 HG2 GLU 8 HG2 GLU 8 7.896 -4.678 7.591 69 HG3 GLU 8 HG1 GLU 8 7.631 -4.938 9.313 70 H ALA 9 HN ALA 9 9.010 -0.517 8.336 71 HA ALA 9 HA ALA 9 7.574 1.312 10.023 72 HB1 ALA 9 HB1 ALA 9 10.448 1.343 9.090 73 HB2 ALA 9 HB2 ALA 9 9.853 0.617 10.582 74 HB3 ALA 9 HB3 ALA 9 9.764 2.364 10.355 75 H SER 10 HN SER 10 8.719 1.130 6.781 76 HA SER 10 HA SER 10 8.814 3.942 6.245 77 HB2 SER 10 HB2 SER 10 8.515 1.579 4.384 78 HB3 SER 10 HB1 SER 10 8.687 3.240 3.821 79 HG SER 10 HG SER 10 10.722 2.446 3.853 80 H LEU 11 HN LEU 11 6.392 1.492 5.423 81 HA LEU 11 HA LEU 11 4.514 3.303 4.343 82 HB2 LEU 11 HB2 LEU 11 4.355 0.482 5.367 83 HB3 LEU 11 HB1 LEU 11 2.912 1.328 4.855 84 HG LEU 11 HG LEU 11 3.931 -0.217 3.144 85 HD11 LEU 11 HD11 LEU 11 3.720 2.678 2.354 86 HD12 LEU 11 HD12 LEU 11 2.367 1.565 2.554 87 HD13 LEU 11 HD13 LEU 11 3.560 1.283 1.286 88 HD21 LEU 11 HD21 LEU 11 6.043 1.934 2.973 89 HD22 LEU 11 HD22 LEU 11 5.846 0.583 1.858 90 HD23 LEU 11 HD23 LEU 11 6.296 0.283 3.536 91 H THR 12 HN THR 12 5.024 2.024 7.574 92 HA THR 12 HA THR 12 2.640 2.965 8.745 93 HB THR 12 HB THR 12 5.332 2.362 9.985 94 HG1 THR 12 HG1 THR 12 4.564 0.482 9.200 95 HG21 THR 12 HG21 THR 12 4.158 2.142 12.106 96 HG22 THR 12 HG22 THR 12 2.645 2.619 11.339 97 HG23 THR 12 HG23 THR 12 3.968 3.776 11.470 98 H SER 13 HN SER 13 5.486 4.619 7.782 99 HA SER 13 HA SER 13 5.111 6.789 9.695 100 HB2 SER 13 HB2 SER 13 7.190 6.379 7.542 101 HB3 SER 13 HB1 SER 13 7.189 7.703 8.709 102 HG SER 13 HG SER 13 7.551 4.927 9.178 103 H LYS 14 HN LYS 14 5.001 6.204 6.225 104 HA LYS 14 HA LYS 14 4.384 8.976 5.655 105 HB2 LYS 14 HB2 LYS 14 4.540 6.573 3.823 106 HB3 LYS 14 HB1 LYS 14 4.394 8.244 3.305 107 HG2 LYS 14 HG2 LYS 14 6.716 7.185 4.898 108 HG3 LYS 14 HG1 LYS 14 6.687 7.277 3.137 109 HD2 LYS 14 HD2 LYS 14 6.284 9.721 3.329 110 HD3 LYS 14 HD1 LYS 14 6.470 9.576 5.077 111 HE2 LYS 14 HE2 LYS 14 8.532 10.337 3.955 112 HE3 LYS 14 HE1 LYS 14 8.743 8.813 4.814 113 HZ1 LYS 14 HZ1 LYS 14 8.092 8.827 1.937 114 HZ2 LYS 14 HZ2 LYS 14 8.861 7.626 2.849 115 HZ3 LYS 14 HZ3 LYS 14 9.688 9.048 2.450 116 H LEU 15 HN LEU 15 2.778 5.924 5.961 117 HA LEU 15 HA LEU 15 0.309 7.057 4.808 118 HB2 LEU 15 HB2 LEU 15 1.640 4.427 4.619 119 HB3 LEU 15 HB1 LEU 15 -0.109 4.392 4.758 120 HG LEU 15 HG LEU 15 -0.426 5.474 2.698 121 HD11 LEU 15 HD11 LEU 15 2.497 6.219 2.750 122 HD12 LEU 15 HD12 LEU 15 1.130 7.316 2.964 123 HD13 LEU 15 HD13 LEU 15 1.388 6.521 1.412 124 HD21 LEU 15 HD21 LEU 15 0.443 3.147 2.572 125 HD22 LEU 15 HD22 LEU 15 2.049 3.817 2.286 126 HD23 LEU 15 HD23 LEU 15 0.752 4.114 1.131 127 H LYS 16 HN LYS 16 1.801 5.717 7.537 128 HA LYS 16 HA LYS 16 1.172 5.601 9.692 129 HB2 LYS 16 HB2 LYS 16 -1.525 6.566 8.723 130 HB3 LYS 16 HB1 LYS 16 -1.065 6.389 10.412 131 HG2 LYS 16 HG2 LYS 16 0.618 8.083 10.195 132 HG3 LYS 16 HG1 LYS 16 0.354 8.181 8.455 133 HD2 LYS 16 HD2 LYS 16 -0.736 10.038 9.525 134 HD3 LYS 16 HD1 LYS 16 -1.964 8.938 8.898 135 HE2 LYS 16 HE2 LYS 16 -2.283 8.005 11.121 136 HE3 LYS 16 HE1 LYS 16 -1.011 9.047 11.756 137 HZ1 LYS 16 HZ1 LYS 16 -3.645 9.873 10.683 138 HZ2 LYS 16 HZ2 LYS 16 -2.401 10.965 11.020 139 HZ3 LYS 16 HZ3 LYS 16 -3.077 10.048 12.268 140 HA PRO 17 HA PRO 17 -0.201 1.469 9.856 141 HB2 PRO 17 HB2 PRO 17 -0.555 1.118 12.502 142 HB3 PRO 17 HB1 PRO 17 1.043 1.365 11.789 143 HG2 PRO 17 HG2 PRO 17 -0.733 3.329 13.185 144 HG3 PRO 17 HG1 PRO 17 1.018 3.098 13.340 145 HD2 PRO 17 HD2 PRO 17 -0.106 5.059 11.817 146 HD3 PRO 17 HD1 PRO 17 1.470 4.333 11.459 147 H ILE 18 HN ILE 18 -2.283 2.601 8.816 148 HA ILE 18 HA ILE 18 -4.651 2.192 10.463 149 HB ILE 18 HB ILE 18 -4.567 2.601 7.478 150 HG12 ILE 18 HG12 ILE 18 -3.298 4.423 8.579 151 HG13 ILE 18 HG11 ILE 18 -4.785 5.004 7.839 152 HG21 ILE 18 HG21 ILE 18 -6.689 3.176 9.545 153 HG22 ILE 18 HG22 ILE 18 -6.698 1.862 8.370 154 HG23 ILE 18 HG23 ILE 18 -6.816 3.534 7.824 155 HD11 ILE 18 HD11 ILE 18 -4.421 6.051 9.980 156 HD12 ILE 18 HD12 ILE 18 -4.346 4.475 10.767 157 HD13 ILE 18 HD13 ILE 18 -5.854 5.026 10.037 158 H HIS 19 HN HIS 19 -3.984 1.034 7.177 159 HA HIS 19 HA HIS 19 -4.009 -1.730 8.107 160 HB2 HIS 19 HB2 HIS 19 -6.337 -1.293 7.415 161 HB3 HIS 19 HB1 HIS 19 -5.763 -0.723 5.857 162 HD1 HIS 19 HD1 HIS 19 -6.663 -3.777 7.699 163 HD2 HIS 19 HD2 HIS 19 -4.745 -2.801 4.134 164 HE1 HIS 19 HE1 HIS 19 -6.724 -5.864 6.296 165 HE2 HIS 19 HE2 HIS 19 -5.609 -5.245 4.126 166 H LEU 20 HN LEU 20 -1.940 -2.007 7.622 167 HA LEU 20 HA LEU 20 -1.134 -1.673 4.810 168 HB2 LEU 20 HB2 LEU 20 0.683 -1.484 7.217 169 HB3 LEU 20 HB1 LEU 20 1.101 -1.155 5.549 170 HG LEU 20 HG LEU 20 -0.889 0.495 7.101 171 HD11 LEU 20 HD11 LEU 20 2.057 0.966 6.672 172 HD12 LEU 20 HD12 LEU 20 1.260 0.638 8.210 173 HD13 LEU 20 HD13 LEU 20 0.921 2.136 7.343 174 HD21 LEU 20 HD21 LEU 20 0.624 1.004 4.542 175 HD22 LEU 20 HD22 LEU 20 -0.471 2.135 5.338 176 HD23 LEU 20 HD23 LEU 20 -1.093 0.624 4.676 177 H GLU 21 HN GLU 21 -0.538 -3.522 3.889 178 HA GLU 21 HA GLU 21 0.657 -5.622 5.506 179 HB2 GLU 21 HB2 GLU 21 -1.714 -6.015 3.670 180 HB3 GLU 21 HB1 GLU 21 -0.689 -7.330 4.217 181 HG2 GLU 21 HG2 GLU 21 -1.269 -6.714 6.559 182 HG3 GLU 21 HG1 GLU 21 -2.423 -5.552 5.909 183 H VAL 22 HN VAL 22 2.596 -5.333 4.615 184 HA VAL 22 HA VAL 22 2.801 -5.343 1.703 185 HB VAL 22 HB VAL 22 4.977 -4.453 1.898 186 HG11 VAL 22 HG11 VAL 22 3.366 -3.191 4.119 187 HG12 VAL 22 HG12 VAL 22 3.114 -2.896 2.401 188 HG13 VAL 22 HG13 VAL 22 4.632 -2.420 3.162 189 HG21 VAL 22 HG21 VAL 22 6.196 -4.219 4.001 190 HG22 VAL 22 HG22 VAL 22 5.836 -5.911 3.658 191 HG23 VAL 22 HG23 VAL 22 4.888 -5.035 4.857 192 H ILE 23 HN ILE 23 3.800 -6.948 0.605 193 HA ILE 23 HA ILE 23 4.421 -9.340 2.188 194 HB ILE 23 HB ILE 23 3.153 -9.326 -0.534 195 HG12 ILE 23 HG12 ILE 23 1.745 -9.780 2.102 196 HG13 ILE 23 HG11 ILE 23 1.738 -8.232 1.267 197 HG21 ILE 23 HG21 ILE 23 4.328 -11.369 0.013 198 HG22 ILE 23 HG22 ILE 23 2.589 -11.659 0.034 199 HG23 ILE 23 HG23 ILE 23 3.470 -11.478 1.551 200 HD11 ILE 23 HD11 ILE 23 -0.302 -9.429 0.836 201 HD12 ILE 23 HD12 ILE 23 0.603 -10.823 0.245 202 HD13 ILE 23 HD13 ILE 23 0.640 -9.302 -0.650 203 H ASP 24 HN ASP 24 6.573 -9.072 2.102 204 HA ASP 24 HA ASP 24 8.149 -8.701 -0.200 205 HB2 ASP 24 HB2 ASP 24 9.179 -8.422 1.937 206 HB3 ASP 24 HB1 ASP 24 8.746 -10.050 2.431 207 H ILE 25 HN ILE 25 8.061 -9.934 -1.928 208 HA ILE 25 HA ILE 25 7.559 -12.802 -1.696 209 HB ILE 25 HB ILE 25 7.907 -11.155 -4.206 210 HG12 ILE 25 HG12 ILE 25 5.285 -11.903 -2.914 211 HG13 ILE 25 HG11 ILE 25 6.058 -10.337 -2.682 212 HG21 ILE 25 HG21 ILE 25 6.662 -12.956 -5.282 213 HG22 ILE 25 HG22 ILE 25 6.546 -13.807 -3.742 214 HG23 ILE 25 HG23 ILE 25 8.119 -13.575 -4.504 215 HD11 ILE 25 HD11 ILE 25 5.908 -9.872 -5.033 216 HD12 ILE 25 HD12 ILE 25 4.315 -10.304 -4.409 217 HD13 ILE 25 HD13 ILE 25 5.245 -11.476 -5.342 218 H SER 26 HN SER 26 10.198 -10.711 -1.809 219 HA SER 26 HA SER 26 11.912 -12.767 -2.987 220 HB2 SER 26 HB2 SER 26 13.006 -10.762 -4.263 221 HB3 SER 26 HB1 SER 26 11.544 -11.516 -4.905 222 HG SER 26 HG SER 26 10.339 -9.861 -3.923 223 H GLY 27 HN GLY 27 12.762 -9.404 -2.431 224 HA2 GLY 27 HA2 GLY 27 13.881 -9.458 0.062 225 HA3 GLY 27 HA1 GLY 27 15.090 -10.203 -0.972 226 H GLY 28 HN GLY 28 16.462 -8.919 -2.035 227 HA2 GLY 28 HA2 GLY 28 15.886 -6.019 -1.964 228 HA3 GLY 28 HA1 GLY 28 17.485 -6.698 -1.715 229 H CYS 29 HN CYS 29 17.530 -8.555 -3.804 230 HA CYS 29 HA CYS 29 17.935 -6.726 -6.041 231 HB2 CYS 29 HB2 CYS 29 18.698 -9.643 -5.775 232 HB3 CYS 29 HB1 CYS 29 19.243 -8.530 -7.026 233 HG CYS 29 HG CYS 29 19.949 -7.336 -4.023 234 H GLY 30 HN GLY 30 16.052 -9.443 -5.041 235 HA2 GLY 30 HA2 GLY 30 14.653 -9.710 -7.559 236 HA3 GLY 30 HA1 GLY 30 14.330 -10.599 -6.072 237 H SER 31 HN SER 31 14.684 -7.730 -4.954 238 HA SER 31 HA SER 31 12.518 -7.479 -3.572 239 HB2 SER 31 HB2 SER 31 14.251 -5.867 -3.370 240 HB3 SER 31 HB1 SER 31 13.950 -5.240 -4.987 241 HG SER 31 HG SER 31 12.448 -4.901 -2.632 242 H SER 32 HN SER 32 10.582 -7.840 -3.993 243 HA SER 32 HA SER 32 9.073 -5.946 -5.591 244 HB2 SER 32 HB2 SER 32 7.689 -8.076 -6.359 245 HB3 SER 32 HB1 SER 32 9.105 -7.549 -7.268 246 HG SER 32 HG SER 32 10.335 -9.098 -6.147 247 H PHE 33 HN PHE 33 7.767 -5.113 -4.101 248 HA PHE 33 HA PHE 33 6.679 -6.913 -2.037 249 HB2 PHE 33 HB2 PHE 33 7.029 -3.916 -1.926 250 HB3 PHE 33 HB1 PHE 33 6.425 -4.936 -0.627 251 HD1 PHE 33 HD2 PHE 33 7.947 -6.646 0.366 252 HD2 PHE 33 HD1 PHE 33 9.329 -3.577 -2.227 253 HE1 PHE 33 HE2 PHE 33 10.241 -6.990 1.179 254 HE2 PHE 33 HE1 PHE 33 11.623 -3.919 -1.421 255 HZ PHE 33 HZ PHE 33 12.081 -5.626 0.285 256 H GLU 34 HN GLU 34 4.542 -7.064 -1.772 257 HA GLU 34 HA GLU 34 2.802 -5.435 -3.507 258 HB2 GLU 34 HB2 GLU 34 2.109 -8.014 -2.077 259 HB3 GLU 34 HB1 GLU 34 1.157 -7.195 -3.307 260 HG2 GLU 34 HG2 GLU 34 3.855 -8.444 -3.762 261 HG3 GLU 34 HG1 GLU 34 2.309 -9.201 -4.139 262 H VAL 35 HN VAL 35 2.023 -3.718 -2.395 263 HA VAL 35 HA VAL 35 1.624 -4.055 0.488 264 HB VAL 35 HB VAL 35 1.742 -1.669 0.674 265 HG11 VAL 35 HG11 VAL 35 3.845 -2.904 0.617 266 HG12 VAL 35 HG12 VAL 35 4.034 -1.287 -0.060 267 HG13 VAL 35 HG13 VAL 35 3.923 -2.684 -1.131 268 HG21 VAL 35 HG21 VAL 35 1.950 -1.598 -2.329 269 HG22 VAL 35 HG22 VAL 35 2.178 -0.215 -1.258 270 HG23 VAL 35 HG23 VAL 35 0.602 -1.002 -1.360 271 H GLU 36 HN GLU 36 -0.267 -3.929 1.423 272 HA GLU 36 HA GLU 36 -2.623 -3.118 -0.144 273 HB2 GLU 36 HB2 GLU 36 -2.587 -5.487 0.652 274 HB3 GLU 36 HB1 GLU 36 -2.483 -4.896 2.301 275 HG2 GLU 36 HG2 GLU 36 -4.657 -3.911 2.150 276 HG3 GLU 36 HG1 GLU 36 -4.758 -4.297 0.435 277 H VAL 37 HN VAL 37 -3.227 -1.102 0.378 278 HA VAL 37 HA VAL 37 -2.529 -0.130 3.069 279 HB VAL 37 HB VAL 37 -2.520 1.484 0.517 280 HG11 VAL 37 HG11 VAL 37 -3.012 2.767 2.540 281 HG12 VAL 37 HG12 VAL 37 -1.453 3.206 1.842 282 HG13 VAL 37 HG13 VAL 37 -1.520 2.174 3.271 283 HG21 VAL 37 HG21 VAL 37 -0.070 1.469 0.707 284 HG22 VAL 37 HG22 VAL 37 -0.716 -0.155 0.475 285 HG23 VAL 37 HG23 VAL 37 -0.189 0.363 2.076 286 H VAL 38 HN VAL 38 -4.028 0.835 4.190 287 HA VAL 38 HA VAL 38 -6.239 2.180 2.796 288 HB VAL 38 HB VAL 38 -6.346 0.941 5.559 289 HG11 VAL 38 HG11 VAL 38 -8.485 2.371 3.994 290 HG12 VAL 38 HG12 VAL 38 -7.657 2.985 5.425 291 HG13 VAL 38 HG13 VAL 38 -8.704 1.572 5.552 292 HG21 VAL 38 HG21 VAL 38 -7.998 -0.592 4.602 293 HG22 VAL 38 HG22 VAL 38 -6.436 -0.746 3.796 294 HG23 VAL 38 HG23 VAL 38 -7.749 0.135 3.015 295 H SER 39 HN SER 39 -5.518 4.231 2.772 296 HA SER 39 HA SER 39 -4.598 5.407 5.285 297 HB2 SER 39 HB2 SER 39 -2.594 4.695 4.005 298 HB3 SER 39 HB1 SER 39 -3.145 5.655 2.634 299 HG SER 39 HG SER 39 -2.220 6.518 5.158 300 H GLU 40 HN GLU 40 -4.802 7.692 5.327 301 HA GLU 40 HA GLU 40 -7.246 8.549 4.201 302 HB2 GLU 40 HB2 GLU 40 -6.897 10.597 5.387 303 HB3 GLU 40 HB1 GLU 40 -6.332 9.270 6.389 304 HG2 GLU 40 HG2 GLU 40 -4.036 9.766 5.817 305 HG3 GLU 40 HG1 GLU 40 -4.566 11.051 4.732 306 H GLN 41 HN GLN 41 -4.556 8.180 2.521 307 HA GLN 41 HA GLN 41 -4.603 10.743 1.106 308 HB2 GLN 41 HB2 GLN 41 -2.753 8.412 1.163 309 HB3 GLN 41 HB1 GLN 41 -2.863 9.306 -0.346 310 HG2 GLN 41 HG2 GLN 41 -1.032 10.166 0.905 311 HG3 GLN 41 HG1 GLN 41 -2.309 11.376 0.896 312 HE21 GLN 41 HE21 GLN 41 -2.286 8.510 2.928 313 HE22 GLN 41 HE22 GLN 41 -2.104 9.352 4.419 314 H PHE 42 HN PHE 42 -6.377 8.140 1.221 315 HA PHE 42 HA PHE 42 -6.918 8.024 -1.668 316 HB2 PHE 42 HB2 PHE 42 -7.456 5.955 0.472 317 HB3 PHE 42 HB1 PHE 42 -7.745 5.748 -1.254 318 HD1 PHE 42 HD1 PHE 42 -5.121 7.181 -2.074 319 HD2 PHE 42 HD2 PHE 42 -5.992 4.070 0.697 320 HE1 PHE 42 HE1 PHE 42 -2.841 6.310 -2.340 321 HE2 PHE 42 HE2 PHE 42 -3.712 3.202 0.440 322 HZ PHE 42 HZ PHE 42 -2.137 4.321 -1.077 323 H GLU 43 HN GLU 43 -7.854 9.805 0.569 324 HA GLU 43 HA GLU 43 -10.499 8.974 1.340 325 HB2 GLU 43 HB2 GLU 43 -8.909 10.326 2.747 326 HB3 GLU 43 HB1 GLU 43 -9.193 11.680 1.665 327 HG2 GLU 43 HG2 GLU 43 -10.560 12.016 3.549 328 HG3 GLU 43 HG1 GLU 43 -11.626 11.497 2.243 329 H GLY 44 HN GLY 44 -12.128 9.026 -0.118 330 HA2 GLY 44 HA2 GLY 44 -13.547 9.788 -1.758 331 HA3 GLY 44 HA1 GLY 44 -13.101 11.409 -1.238 332 H LYS 45 HN LYS 45 -10.833 9.060 -2.379 333 HA LYS 45 HA LYS 45 -10.024 10.902 -4.477 334 HB2 LYS 45 HB2 LYS 45 -8.672 8.805 -2.812 335 HB3 LYS 45 HB1 LYS 45 -7.920 9.468 -4.229 336 HG2 LYS 45 HG2 LYS 45 -8.797 11.018 -1.816 337 HG3 LYS 45 HG1 LYS 45 -7.134 10.552 -2.192 338 HD2 LYS 45 HD2 LYS 45 -7.264 11.890 -4.266 339 HD3 LYS 45 HD1 LYS 45 -8.890 12.398 -3.807 340 HE2 LYS 45 HE2 LYS 45 -7.975 13.395 -1.753 341 HE3 LYS 45 HE1 LYS 45 -6.354 12.930 -2.266 342 HZ1 LYS 45 HZ1 LYS 45 -8.165 14.788 -3.708 343 HZ2 LYS 45 HZ2 LYS 45 -6.618 14.335 -4.217 344 HZ3 LYS 45 HZ3 LYS 45 -6.811 15.233 -2.799 345 H ARG 46 HN ARG 46 -9.506 10.089 -6.551 346 HA ARG 46 HA ARG 46 -10.696 7.521 -7.213 347 HB2 ARG 46 HB2 ARG 46 -9.377 9.626 -8.929 348 HB3 ARG 46 HB1 ARG 46 -9.941 8.089 -9.555 349 HG2 ARG 46 HG2 ARG 46 -11.662 9.540 -10.066 350 HG3 ARG 46 HG1 ARG 46 -12.221 8.766 -8.585 351 HD2 ARG 46 HD2 ARG 46 -11.584 10.672 -7.280 352 HD3 ARG 46 HD1 ARG 46 -10.807 11.423 -8.673 353 HE ARG 46 HE ARG 46 -13.713 11.043 -8.352 354 HH11 ARG 46 HH11 ARG 46 -10.980 12.704 -9.784 355 HH12 ARG 46 HH12 ARG 46 -11.955 13.924 -10.536 356 HH21 ARG 46 HH21 ARG 46 -14.996 12.647 -9.347 357 HH22 ARG 46 HH22 ARG 46 -14.236 13.902 -10.269 358 H LEU 47 HN LEU 47 -9.511 5.771 -8.048 359 HA LEU 47 HA LEU 47 -7.326 4.980 -6.657 360 HB2 LEU 47 HB2 LEU 47 -8.327 4.142 -9.338 361 HB3 LEU 47 HB1 LEU 47 -6.838 3.457 -8.718 362 HG LEU 47 HG LEU 47 -8.121 2.702 -6.695 363 HD11 LEU 47 HD11 LEU 47 -10.501 3.502 -8.360 364 HD12 LEU 47 HD12 LEU 47 -10.000 4.237 -6.837 365 HD13 LEU 47 HD13 LEU 47 -10.553 2.562 -6.868 366 HD21 LEU 47 HD21 LEU 47 -9.166 0.807 -7.852 367 HD22 LEU 47 HD22 LEU 47 -7.562 1.173 -8.485 368 HD23 LEU 47 HD23 LEU 47 -8.997 1.663 -9.383 369 H LEU 48 HN LEU 48 -7.252 6.704 -9.675 370 HA LEU 48 HA LEU 48 -4.498 6.412 -10.229 371 HB2 LEU 48 HB2 LEU 48 -6.205 7.062 -11.902 372 HB3 LEU 48 HB1 LEU 48 -6.390 8.603 -11.091 373 HG LEU 48 HG LEU 48 -4.035 9.143 -11.625 374 HD11 LEU 48 HD11 LEU 48 -4.142 6.566 -13.188 375 HD12 LEU 48 HD12 LEU 48 -3.144 6.889 -11.772 376 HD13 LEU 48 HD13 LEU 48 -2.852 7.765 -13.273 377 HD21 LEU 48 HD21 LEU 48 -4.400 9.534 -14.006 378 HD22 LEU 48 HD22 LEU 48 -5.848 9.898 -13.070 379 HD23 LEU 48 HD23 LEU 48 -5.747 8.399 -13.992 380 H GLU 49 HN GLU 49 -6.364 9.059 -8.812 381 HA GLU 49 HA GLU 49 -4.205 10.735 -8.109 382 HB2 GLU 49 HB2 GLU 49 -6.661 10.578 -6.403 383 HB3 GLU 49 HB1 GLU 49 -5.771 11.996 -6.939 384 HG2 GLU 49 HG2 GLU 49 -7.493 10.278 -8.700 385 HG3 GLU 49 HG1 GLU 49 -8.011 11.787 -7.947 386 H ARG 50 HN ARG 50 -5.865 8.098 -6.601 387 HA ARG 50 HA ARG 50 -4.837 8.142 -4.020 388 HB2 ARG 50 HB2 ARG 50 -5.758 5.929 -5.849 389 HB3 ARG 50 HB1 ARG 50 -5.212 5.585 -4.197 390 HG2 ARG 50 HG2 ARG 50 -6.953 7.202 -3.401 391 HG3 ARG 50 HG1 ARG 50 -7.543 7.281 -5.059 392 HD2 ARG 50 HD2 ARG 50 -7.687 4.700 -4.878 393 HD3 ARG 50 HD1 ARG 50 -7.598 4.979 -3.141 394 HE ARG 50 HE ARG 50 -9.551 6.662 -4.255 395 HH11 ARG 50 HH11 ARG 50 -9.070 3.276 -3.462 396 HH12 ARG 50 HH12 ARG 50 -10.775 2.959 -3.356 397 HH21 ARG 50 HH21 ARG 50 -11.736 6.227 -4.121 398 HH22 ARG 50 HH22 ARG 50 -12.285 4.620 -3.750 399 H HIS 51 HN HIS 51 -3.625 6.414 -6.872 400 HA HIS 51 HA HIS 51 -1.339 5.384 -5.522 401 HB2 HIS 51 HB2 HIS 51 -1.815 5.697 -8.493 402 HB3 HIS 51 HB1 HIS 51 -0.535 4.736 -7.766 403 HD1 HIS 51 HD1 HIS 51 -3.157 3.895 -9.597 404 HD2 HIS 51 HD2 HIS 51 -2.406 3.085 -5.603 405 HE1 HIS 51 HE1 HIS 51 -4.526 1.873 -9.022 406 HE2 HIS 51 HE2 HIS 51 -3.967 1.332 -6.648 407 H ARG 52 HN ARG 52 -1.885 8.155 -7.607 408 HA ARG 52 HA ARG 52 0.781 8.990 -7.880 409 HB2 ARG 52 HB2 ARG 52 -1.201 9.813 -9.186 410 HB3 ARG 52 HB1 ARG 52 -1.669 10.753 -7.777 411 HG2 ARG 52 HG2 ARG 52 0.566 11.894 -7.925 412 HG3 ARG 52 HG1 ARG 52 0.785 11.088 -9.481 413 HD2 ARG 52 HD2 ARG 52 -1.318 13.090 -8.701 414 HD3 ARG 52 HD1 ARG 52 -0.088 13.239 -9.954 415 HE ARG 52 HE ARG 52 -1.308 11.445 -11.150 416 HH11 ARG 52 HH11 ARG 52 -2.977 13.402 -8.774 417 HH12 ARG 52 HH12 ARG 52 -4.556 13.097 -9.439 418 HH21 ARG 52 HH21 ARG 52 -3.381 11.035 -12.021 419 HH22 ARG 52 HH22 ARG 52 -4.786 11.733 -11.272 420 H MET 53 HN MET 53 -1.342 9.077 -5.190 421 HA MET 53 HA MET 53 0.061 11.355 -4.014 422 HB2 MET 53 HB2 MET 53 -2.593 10.457 -3.883 423 HB3 MET 53 HB1 MET 53 -1.925 10.102 -2.298 424 HG2 MET 53 HG2 MET 53 -1.877 12.796 -3.637 425 HG3 MET 53 HG1 MET 53 -3.031 12.289 -2.406 426 HE1 MET 53 HE1 MET 53 -0.846 14.848 -0.441 427 HE2 MET 53 HE2 MET 53 -2.483 14.356 -0.872 428 HE3 MET 53 HE3 MET 53 -1.383 14.944 -2.118 429 H VAL 54 HN VAL 54 -0.530 7.952 -3.581 430 HA VAL 54 HA VAL 54 0.852 7.677 -1.124 431 HB VAL 54 HB VAL 54 -0.750 6.093 -2.620 432 HG11 VAL 54 HG11 VAL 54 0.968 5.415 -4.175 433 HG12 VAL 54 HG12 VAL 54 0.434 4.041 -3.204 434 HG13 VAL 54 HG13 VAL 54 1.967 4.835 -2.842 435 HG21 VAL 54 HG21 VAL 54 1.087 5.356 -0.368 436 HG22 VAL 54 HG22 VAL 54 -0.217 4.314 -0.931 437 HG23 VAL 54 HG23 VAL 54 -0.585 5.904 -0.262 438 H ASN 55 HN ASN 55 1.742 7.318 -4.497 439 HA ASN 55 HA ASN 55 4.376 6.393 -3.835 440 HB2 ASN 55 HB2 ASN 55 4.774 6.127 -6.068 441 HB3 ASN 55 HB1 ASN 55 3.027 5.939 -6.036 442 HD21 ASN 55 HD21 ASN 55 2.414 8.679 -5.727 443 HD22 ASN 55 HD22 ASN 55 2.895 9.535 -7.150 444 H ALA 56 HN ALA 56 2.858 9.402 -4.029 445 HA ALA 56 HA ALA 56 5.088 11.020 -4.633 446 HB1 ALA 56 HB1 ALA 56 2.801 11.607 -2.747 447 HB2 ALA 56 HB2 ALA 56 2.836 11.955 -4.475 448 HB3 ALA 56 HB3 ALA 56 3.937 12.796 -3.383 449 H ALA 57 HN ALA 57 3.910 9.542 -1.685 450 HA ALA 57 HA ALA 57 6.113 10.603 -0.103 451 HB1 ALA 57 HB1 ALA 57 4.922 9.527 1.773 452 HB2 ALA 57 HB2 ALA 57 3.739 8.892 0.627 453 HB3 ALA 57 HB3 ALA 57 3.891 10.633 0.866 454 H LEU 58 HN LEU 58 5.775 8.163 -2.188 455 HA LEU 58 HA LEU 58 7.420 6.251 -0.678 456 HB2 LEU 58 HB2 LEU 58 4.795 5.901 -1.927 457 HB3 LEU 58 HB1 LEU 58 5.974 4.712 -2.425 458 HG LEU 58 HG LEU 58 6.286 4.009 -0.110 459 HD11 LEU 58 HD11 LEU 58 4.212 6.087 0.570 460 HD12 LEU 58 HD12 LEU 58 5.923 6.162 0.990 461 HD13 LEU 58 HD13 LEU 58 4.899 4.903 1.681 462 HD21 LEU 58 HD21 LEU 58 4.101 3.031 0.259 463 HD22 LEU 58 HD22 LEU 58 4.505 2.995 -1.458 464 HD23 LEU 58 HD23 LEU 58 3.370 4.197 -0.843 465 H GLU 59 HN GLU 59 7.387 8.328 -3.058 466 HA GLU 59 HA GLU 59 8.296 6.871 -5.325 467 HB2 GLU 59 HB2 GLU 59 7.338 9.120 -5.561 468 HB3 GLU 59 HB1 GLU 59 8.647 9.789 -4.573 469 HG2 GLU 59 HG2 GLU 59 9.087 10.286 -6.859 470 HG3 GLU 59 HG1 GLU 59 10.258 9.090 -6.317 471 H GLU 60 HN GLU 60 9.761 8.331 -2.562 472 HA GLU 60 HA GLU 60 12.488 8.086 -3.315 473 HB2 GLU 60 HB2 GLU 60 11.710 7.899 -0.452 474 HB3 GLU 60 HB1 GLU 60 12.910 8.930 -1.219 475 HG2 GLU 60 HG2 GLU 60 11.149 10.406 -2.027 476 HG3 GLU 60 HG1 GLU 60 9.917 9.363 -1.298 477 H GLU 61 HN GLU 61 10.137 6.212 -1.590 478 HA GLU 61 HA GLU 61 11.683 4.072 -0.714 479 HB2 GLU 61 HB2 GLU 61 9.195 4.817 -0.278 480 HB3 GLU 61 HB1 GLU 61 8.850 3.728 -1.610 481 HG2 GLU 61 HG2 GLU 61 8.531 2.509 0.396 482 HG3 GLU 61 HG1 GLU 61 10.019 1.919 -0.344 483 H MET 62 HN MET 62 9.828 4.576 -3.689 484 HA MET 62 HA MET 62 10.265 1.997 -4.750 485 HB2 MET 62 HB2 MET 62 9.508 4.592 -6.085 486 HB3 MET 62 HB1 MET 62 9.605 3.062 -6.945 487 HG2 MET 62 HG2 MET 62 7.931 2.151 -5.320 488 HG3 MET 62 HG1 MET 62 7.740 3.791 -4.706 489 HE1 MET 62 HE1 MET 62 6.406 5.647 -7.922 490 HE2 MET 62 HE2 MET 62 8.088 5.464 -7.424 491 HE3 MET 62 HE3 MET 62 6.847 5.831 -6.225 492 H LYS 63 HN LYS 63 12.166 4.916 -4.814 493 HA LYS 63 HA LYS 63 13.852 4.029 -6.965 494 HB2 LYS 63 HB2 LYS 63 14.078 6.289 -4.990 495 HB3 LYS 63 HB1 LYS 63 15.339 5.938 -6.164 496 HG2 LYS 63 HG2 LYS 63 13.609 6.186 -7.959 497 HG3 LYS 63 HG1 LYS 63 12.501 6.763 -6.711 498 HD2 LYS 63 HD2 LYS 63 13.964 8.612 -6.205 499 HD3 LYS 63 HD1 LYS 63 15.184 7.997 -7.322 500 HE2 LYS 63 HE2 LYS 63 13.966 9.812 -8.356 501 HE3 LYS 63 HE1 LYS 63 13.604 8.298 -9.182 502 HZ1 LYS 63 HZ1 LYS 63 11.606 9.569 -8.847 503 HZ2 LYS 63 HZ2 LYS 63 11.884 9.659 -7.184 504 HZ3 LYS 63 HZ3 LYS 63 11.535 8.168 -7.903 505 H GLU 64 HN GLU 64 13.632 3.204 -3.703 506 HA GLU 64 HA GLU 64 16.474 2.480 -3.596 507 HB2 GLU 64 HB2 GLU 64 15.458 3.764 -1.686 508 HB3 GLU 64 HB1 GLU 64 14.465 2.354 -1.346 509 HG2 GLU 64 HG2 GLU 64 16.392 1.036 -0.842 510 HG3 GLU 64 HG1 GLU 64 17.472 2.321 -1.382 511 H ILE 65 HN ILE 65 13.319 1.204 -3.901 512 HA ILE 65 HA ILE 65 14.336 -1.544 -3.619 513 HB ILE 65 HB ILE 65 12.152 -2.306 -3.213 514 HG12 ILE 65 HG12 ILE 65 11.394 0.000 -4.817 515 HG13 ILE 65 HG11 ILE 65 10.552 -1.514 -4.572 516 HG21 ILE 65 HG21 ILE 65 11.402 -1.046 -1.312 517 HG22 ILE 65 HG22 ILE 65 12.223 0.401 -1.893 518 HG23 ILE 65 HG23 ILE 65 13.164 -0.991 -1.367 519 HD11 ILE 65 HD11 ILE 65 10.424 0.876 -2.757 520 HD12 ILE 65 HD12 ILE 65 9.604 -0.662 -2.495 521 HD13 ILE 65 HD13 ILE 65 9.176 0.339 -3.881 522 H HIS 66 HN HIS 66 12.527 -2.883 -5.221 523 HA HIS 66 HA HIS 66 13.197 -1.767 -7.859 524 HB2 HIS 66 HB2 HIS 66 12.990 -4.613 -6.933 525 HB3 HIS 66 HB1 HIS 66 12.870 -4.197 -8.639 526 HD1 HIS 66 HD1 HIS 66 15.023 -2.238 -9.091 527 HD2 HIS 66 HD2 HIS 66 15.522 -5.459 -6.542 528 HE1 HIS 66 HE1 HIS 66 17.488 -2.581 -8.885 529 HE2 HIS 66 HE2 HIS 66 17.747 -4.686 -7.565 530 H ALA 67 HN ALA 67 10.589 -2.546 -5.812 531 HA ALA 67 HA ALA 67 8.614 -1.754 -7.631 532 HB1 ALA 67 HB1 ALA 67 7.501 -3.845 -8.155 533 HB2 ALA 67 HB2 ALA 67 8.753 -4.746 -7.304 534 HB3 ALA 67 HB3 ALA 67 9.153 -3.857 -8.772 535 H LEU 68 HN LEU 68 7.074 -0.968 -6.379 536 HA LEU 68 HA LEU 68 6.170 -2.573 -4.076 537 HB2 LEU 68 HB2 LEU 68 7.200 -0.034 -3.911 538 HB3 LEU 68 HB1 LEU 68 5.482 0.278 -4.084 539 HG LEU 68 HG LEU 68 5.130 -1.324 -2.143 540 HD11 LEU 68 HD11 LEU 68 7.974 -0.719 -1.462 541 HD12 LEU 68 HD12 LEU 68 7.552 -2.164 -2.372 542 HD13 LEU 68 HD13 LEU 68 6.890 -1.917 -0.756 543 HD21 LEU 68 HD21 LEU 68 6.600 1.265 -1.692 544 HD22 LEU 68 HD22 LEU 68 5.628 0.415 -0.491 545 HD23 LEU 68 HD23 LEU 68 4.865 1.073 -1.938 546 H SER 69 HN SER 69 4.412 -3.578 -4.941 547 HA SER 69 HA SER 69 2.715 -2.146 -6.812 548 HB2 SER 69 HB2 SER 69 2.369 -4.957 -5.763 549 HB3 SER 69 HB1 SER 69 1.675 -4.264 -7.230 550 HG SER 69 HG SER 69 3.969 -5.544 -6.949 551 H ILE 70 HN ILE 70 1.392 -0.722 -5.778 552 HA ILE 70 HA ILE 70 0.106 -1.551 -3.322 553 HB ILE 70 HB ILE 70 0.787 0.736 -3.332 554 HG12 ILE 70 HG12 ILE 70 -2.207 0.676 -3.740 555 HG13 ILE 70 HG11 ILE 70 -1.387 0.182 -2.265 556 HG21 ILE 70 HG21 ILE 70 -0.080 2.388 -4.945 557 HG22 ILE 70 HG22 ILE 70 -0.801 1.068 -5.867 558 HG23 ILE 70 HG23 ILE 70 0.951 1.165 -5.688 559 HD11 ILE 70 HD11 ILE 70 -2.287 2.417 -2.066 560 HD12 ILE 70 HD12 ILE 70 -1.355 2.936 -3.470 561 HD13 ILE 70 HD13 ILE 70 -0.526 2.445 -1.992 562 H LYS 71 HN LYS 71 -1.038 -3.245 -3.984 563 HA LYS 71 HA LYS 71 -2.751 -3.192 -6.274 564 HB2 LYS 71 HB2 LYS 71 -3.015 -5.167 -4.022 565 HB3 LYS 71 HB1 LYS 71 -3.284 -5.415 -5.742 566 HG2 LYS 71 HG2 LYS 71 -0.863 -5.174 -6.127 567 HG3 LYS 71 HG1 LYS 71 -0.637 -5.012 -4.383 568 HD2 LYS 71 HD2 LYS 71 -0.159 -7.286 -5.046 569 HD3 LYS 71 HD1 LYS 71 -1.641 -7.259 -4.089 570 HE2 LYS 71 HE2 LYS 71 -2.977 -7.386 -6.111 571 HE3 LYS 71 HE1 LYS 71 -1.522 -7.322 -7.102 572 HZ1 LYS 71 HZ1 LYS 71 -0.828 -9.427 -6.204 573 HZ2 LYS 71 HZ2 LYS 71 -2.387 -9.583 -6.834 574 HZ3 LYS 71 HZ3 LYS 71 -2.158 -9.476 -5.164 575 H LYS 72 HN LYS 72 -3.042 -2.418 -2.945 576 HA LYS 72 HA LYS 72 -5.898 -1.906 -3.313 577 HB2 LYS 72 HB2 LYS 72 -4.520 -3.329 -1.114 578 HB3 LYS 72 HB1 LYS 72 -5.837 -2.252 -0.673 579 HG2 LYS 72 HG2 LYS 72 -6.778 -4.403 -0.919 580 HG3 LYS 72 HG1 LYS 72 -7.251 -3.466 -2.343 581 HD2 LYS 72 HD2 LYS 72 -5.589 -4.552 -3.684 582 HD3 LYS 72 HD1 LYS 72 -4.903 -5.355 -2.274 583 HE2 LYS 72 HE2 LYS 72 -7.698 -5.800 -3.308 584 HE3 LYS 72 HE1 LYS 72 -6.320 -6.830 -3.684 585 HZ1 LYS 72 HZ1 LYS 72 -6.088 -7.290 -1.307 586 HZ2 LYS 72 HZ2 LYS 72 -7.603 -7.763 -1.889 587 HZ3 LYS 72 HZ3 LYS 72 -7.455 -6.347 -0.982 588 H ALA 73 HN ALA 73 -6.276 0.053 -3.283 589 HA ALA 73 HA ALA 73 -4.943 1.800 -1.324 590 HB1 ALA 73 HB1 ALA 73 -4.070 2.316 -3.560 591 HB2 ALA 73 HB2 ALA 73 -5.052 3.647 -2.948 592 HB3 ALA 73 HB3 ALA 73 -5.714 2.545 -4.156 593 H GLN 74 HN GLN 74 -6.595 1.750 0.133 594 HA GLN 74 HA GLN 74 -9.192 2.789 -0.791 595 HB2 GLN 74 HB2 GLN 74 -8.667 0.333 0.854 596 HB3 GLN 74 HB1 GLN 74 -10.218 1.159 0.894 597 HG2 GLN 74 HG2 GLN 74 -8.922 0.036 -1.580 598 HG3 GLN 74 HG1 GLN 74 -10.184 -0.760 -0.638 599 HE21 GLN 74 HE21 GLN 74 -10.226 0.082 -3.415 600 HE22 GLN 74 HE22 GLN 74 -11.567 1.162 -3.561 601 H THR 75 HN THR 75 -10.417 3.922 0.682 602 HA THR 75 HA THR 75 -9.263 4.469 3.311 603 HB THR 75 HB THR 75 -11.124 6.406 3.026 604 HG1 THR 75 HG1 THR 75 -10.048 6.890 0.615 605 HG21 THR 75 HG21 THR 75 -9.247 7.923 2.554 606 HG22 THR 75 HG22 THR 75 -8.237 6.534 2.161 607 HG23 THR 75 HG23 THR 75 -8.844 6.745 3.802 608 HA PRO 76 HA PRO 76 -12.320 2.405 5.567 609 HB2 PRO 76 HB2 PRO 76 -12.778 5.014 6.944 610 HB3 PRO 76 HB1 PRO 76 -12.499 3.411 7.633 611 HG2 PRO 76 HG2 PRO 76 -10.544 5.192 7.576 612 HG3 PRO 76 HG1 PRO 76 -10.216 3.486 7.218 613 HD2 PRO 76 HD2 PRO 76 -10.400 5.811 5.365 614 HD3 PRO 76 HD1 PRO 76 -9.367 4.373 5.276 615 H GLN 77 HN GLN 77 -13.231 5.380 3.975 616 HA GLN 77 HA GLN 77 -16.026 5.078 4.629 617 HB2 GLN 77 HB2 GLN 77 -16.311 7.162 3.868 618 HB3 GLN 77 HB1 GLN 77 -14.559 7.210 3.797 619 HG2 GLN 77 HG2 GLN 77 -15.941 6.190 1.404 620 HG3 GLN 77 HG1 GLN 77 -16.095 7.919 1.750 621 HE21 GLN 77 HE21 GLN 77 -13.469 5.798 2.488 622 HE22 GLN 77 HE22 GLN 77 -12.323 6.505 1.401 623 H GLN 78 HN GLN 78 -14.029 4.068 1.921 624 HA GLN 78 HA GLN 78 -16.409 2.918 0.638 625 HB2 GLN 78 HB2 GLN 78 -13.574 2.813 -0.341 626 HB3 GLN 78 HB1 GLN 78 -15.034 2.508 -1.277 627 HG2 GLN 78 HG2 GLN 78 -15.002 4.627 -1.938 628 HG3 GLN 78 HG1 GLN 78 -15.198 5.138 -0.252 629 HE21 GLN 78 HE21 GLN 78 -12.782 3.915 0.588 630 HE22 GLN 78 HE22 GLN 78 -11.508 4.969 0.077 631 H TRP 79 HN TRP 79 -13.732 2.346 2.606 632 HA TRP 79 HA TRP 79 -13.706 -0.514 2.391 633 HB2 TRP 79 HB2 TRP 79 -12.067 1.463 3.539 634 HB3 TRP 79 HB1 TRP 79 -12.674 0.504 4.886 635 HD1 TRP 79 HD1 TRP 79 -11.398 -0.456 1.363 636 HE1 TRP 79 HE1 TRP 79 -9.685 -2.339 1.637 637 HE3 TRP 79 HE3 TRP 79 -11.468 -0.832 6.445 638 HZ2 TRP 79 HZ2 TRP 79 -8.505 -3.823 3.773 639 HZ3 TRP 79 HZ3 TRP 79 -10.025 -2.502 7.530 640 HH2 TRP 79 HH2 TRP 79 -8.583 -3.961 6.220 641 H LYS 80 HN LYS 80 -15.850 1.673 3.471 642 HA LYS 80 HA LYS 80 -16.902 0.705 5.833 643 HB2 LYS 80 HB2 LYS 80 -18.045 2.001 3.436 644 HB3 LYS 80 HB1 LYS 80 -19.200 1.178 4.486 645 HG2 LYS 80 HG2 LYS 80 -18.300 2.518 6.388 646 HG3 LYS 80 HG1 LYS 80 -17.312 3.406 5.223 647 HD2 LYS 80 HD2 LYS 80 -19.317 4.132 4.051 648 HD3 LYS 80 HD1 LYS 80 -20.323 3.200 5.159 649 HE2 LYS 80 HE2 LYS 80 -20.370 5.511 5.818 650 HE3 LYS 80 HE1 LYS 80 -19.476 4.589 7.025 651 HZ1 LYS 80 HZ1 LYS 80 -18.364 6.657 6.506 652 HZ2 LYS 80 HZ2 LYS 80 -18.280 6.243 4.870 653 HZ3 LYS 80 HZ3 LYS 80 -17.415 5.349 6.016 654 HA PRO 81 HA PRO 81 -18.923 -3.093 3.529 655 HB2 PRO 81 HB2 PRO 81 -17.533 -2.976 0.917 656 HB3 PRO 81 HB1 PRO 81 -19.216 -3.372 1.273 657 HG2 PRO 81 HG2 PRO 81 -18.567 -1.054 0.131 658 HG3 PRO 81 HG1 PRO 81 -19.861 -1.147 1.342 659 HD2 PRO 81 HD2 PRO 81 -17.030 -0.213 1.660 660 HD3 PRO 81 HD1 PRO 81 -18.528 0.492 2.304 661 HA PRO 82 HA PRO 82 -15.302 -5.256 4.854 662 HB2 PRO 82 HB2 PRO 82 -16.023 -7.800 4.073 663 HB3 PRO 82 HB1 PRO 82 -16.574 -7.009 5.554 664 HG2 PRO 82 HG2 PRO 82 -17.963 -7.296 2.926 665 HG3 PRO 82 HG1 PRO 82 -18.625 -7.421 4.566 666 HD2 PRO 82 HD2 PRO 82 -18.971 -5.221 3.067 667 HD3 PRO 82 HD1 PRO 82 -18.748 -5.126 4.826 668 H SER 83 HN SER 83 -13.331 -5.700 4.010 669 HA SER 83 HA SER 83 -13.069 -6.771 1.331 670 HB2 SER 83 HB2 SER 83 -13.334 -4.218 1.152 671 HB3 SER 83 HB1 SER 83 -11.756 -4.116 1.929 672 HG SER 83 HG SER 83 -12.421 -4.819 -0.645 673 H GLN 84 HN GLN 84 -12.446 -7.881 3.742 674 HA GLN 84 HA GLN 84 -9.504 -7.859 3.716 675 HB2 GLN 84 HB2 GLN 84 -11.312 -8.095 6.130 676 HB3 GLN 84 HB1 GLN 84 -9.573 -8.304 6.152 677 HG2 GLN 84 HG2 GLN 84 -9.269 -5.999 5.458 678 HG3 GLN 84 HG1 GLN 84 -11.019 -5.786 5.405 679 HE21 GLN 84 HE21 GLN 84 -12.165 -5.657 7.318 680 HE22 GLN 84 HE22 GLN 84 -11.405 -5.384 8.834 681 H ASP 85 HN ASP 85 -12.048 -9.696 5.356 682 HA ASP 85 HA ASP 85 -10.823 -12.197 4.770 683 HB2 ASP 85 HB2 ASP 85 -12.159 -11.969 6.787 684 HB3 ASP 85 HB1 ASP 85 -13.566 -11.511 5.834 685 H SER 86 HN SER 86 -13.296 -10.243 3.495 686 HA SER 86 HA SER 86 -14.409 -11.897 1.545 687 HB2 SER 86 HB2 SER 86 -13.909 -8.926 1.315 688 HB3 SER 86 HB1 SER 86 -15.213 -9.854 0.570 689 HG SER 86 HG SER 86 -16.193 -10.062 2.518 690 H ALA 87 HN ALA 87 -11.545 -9.836 1.538 691 HA ALA 87 HA ALA 87 -10.955 -10.316 -1.221 692 HB1 ALA 87 HB1 ALA 87 -9.284 -9.040 0.931 693 HB2 ALA 87 HB2 ALA 87 -10.353 -8.196 -0.190 694 HB3 ALA 87 HB3 ALA 87 -8.918 -9.025 -0.795 695 H THR 88 HN THR 88 -10.640 -12.067 1.497 696 HA THR 88 HA THR 88 -8.318 -13.584 0.523 697 HB THR 88 HB THR 88 -9.681 -13.925 3.201 698 HG1 THR 88 HG1 THR 88 -8.880 -11.742 2.893 699 HG21 THR 88 HG21 THR 88 -8.193 -15.746 2.499 700 HG22 THR 88 HG22 THR 88 -7.516 -14.864 3.867 701 HG23 THR 88 HG23 THR 88 -6.891 -14.585 2.243 702 H LEU 89 HN LEU 89 -11.421 -13.450 -0.031 703 HA LEU 89 HA LEU 89 -11.838 -16.364 -0.091 704 HB2 LEU 89 HB2 LEU 89 -13.345 -15.033 1.439 705 HB3 LEU 89 HB1 LEU 89 -13.952 -14.202 0.028 706 HG LEU 89 HG LEU 89 -15.334 -16.128 1.047 707 HD11 LEU 89 HD11 LEU 89 -15.943 -15.065 -1.019 708 HD12 LEU 89 HD12 LEU 89 -16.149 -16.809 -1.166 709 HD13 LEU 89 HD13 LEU 89 -14.754 -16.022 -1.901 710 HD21 LEU 89 HD21 LEU 89 -14.824 -18.344 0.167 711 HD22 LEU 89 HD22 LEU 89 -13.537 -17.755 1.217 712 HD23 LEU 89 HD23 LEU 89 -13.329 -17.725 -0.534 713 H THR 90 HN THR 90 -11.584 -13.403 -1.757 714 HA THR 90 HA THR 90 -12.975 -14.020 -4.127 715 HB THR 90 HB THR 90 -11.438 -12.258 -5.147 716 HG1 THR 90 HG1 THR 90 -10.196 -11.083 -3.610 717 HG21 THR 90 HG21 THR 90 -12.988 -11.537 -2.656 718 HG22 THR 90 HG22 THR 90 -13.653 -11.697 -4.281 719 HG23 THR 90 HG23 THR 90 -12.500 -10.412 -3.923 720 H LYS 91 HN LYS 91 -9.904 -14.890 -2.919 721 HA LYS 91 HA LYS 91 -9.524 -16.768 -5.057 722 HB2 LYS 91 HB2 LYS 91 -7.084 -15.883 -5.377 723 HB3 LYS 91 HB1 LYS 91 -8.412 -15.193 -6.289 724 HG2 LYS 91 HG2 LYS 91 -6.969 -13.438 -5.524 725 HG3 LYS 91 HG1 LYS 91 -8.511 -13.326 -4.680 726 HD2 LYS 91 HD2 LYS 91 -7.593 -14.164 -2.682 727 HD3 LYS 91 HD1 LYS 91 -6.136 -14.737 -3.500 728 HE2 LYS 91 HE2 LYS 91 -5.693 -12.708 -2.210 729 HE3 LYS 91 HE1 LYS 91 -5.460 -12.436 -3.936 730 HZ1 LYS 91 HZ1 LYS 91 -7.678 -11.427 -4.004 731 HZ2 LYS 91 HZ2 LYS 91 -6.635 -10.603 -2.962 732 HZ3 LYS 91 HZ3 LYS 91 -7.823 -11.626 -2.328 733 H ASP 92 HN ASP 92 -9.677 -16.351 -2.036 734 HA ASP 92 HA ASP 92 -8.947 -17.369 -0.153 735 HB2 ASP 92 HB2 ASP 92 -8.371 -19.434 -2.256 736 HB3 ASP 92 HB1 ASP 92 -8.063 -19.749 -0.551 737 H ALA 93 HN ALA 93 -7.145 -15.482 -0.824 738 HA ALA 93 HA ALA 93 -4.721 -16.624 0.293 739 HB1 ALA 93 HB1 ALA 93 -4.621 -14.954 -2.219 740 HB2 ALA 93 HB2 ALA 93 -4.369 -16.697 -2.153 741 HB3 ALA 93 HB3 ALA 93 -3.244 -15.613 -1.336 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 20.517 -2.524 -1.321 2 H2 MET 1 HT2 MET 1 21.814 -3.545 -0.963 3 H3 MET 1 HT3 MET 1 21.359 -2.340 0.131 4 HA MET 1 HA MET 1 19.664 -4.628 -0.654 5 HB2 MET 1 HB2 MET 1 21.607 -5.367 0.657 6 HB3 MET 1 HB1 MET 1 21.252 -4.157 1.880 7 HG2 MET 1 HG2 MET 1 19.104 -5.275 2.324 8 HG3 MET 1 HG1 MET 1 19.532 -6.514 1.148 9 HE1 MET 1 HE1 MET 1 19.821 -8.340 4.622 10 HE2 MET 1 HE2 MET 1 19.041 -8.344 3.042 11 HE3 MET 1 HE3 MET 1 18.674 -7.068 4.202 12 H VAL 2 HN VAL 2 17.644 -4.655 0.267 13 HA VAL 2 HA VAL 2 16.948 -2.542 2.158 14 HB VAL 2 HB VAL 2 16.298 -1.653 -0.019 15 HG11 VAL 2 HG11 VAL 2 16.067 -3.720 -1.257 16 HG12 VAL 2 HG12 VAL 2 14.601 -2.753 -1.394 17 HG13 VAL 2 HG13 VAL 2 14.639 -4.147 -0.316 18 HG21 VAL 2 HG21 VAL 2 13.956 -1.200 0.438 19 HG22 VAL 2 HG22 VAL 2 14.900 -1.155 1.926 20 HG23 VAL 2 HG23 VAL 2 13.897 -2.560 1.560 21 H THR 3 HN THR 3 15.361 -3.127 3.616 22 HA THR 3 HA THR 3 14.652 -5.979 3.561 23 HB THR 3 HB THR 3 14.503 -5.775 6.046 24 HG1 THR 3 HG1 THR 3 15.812 -3.791 6.758 25 HG21 THR 3 HG21 THR 3 16.925 -5.739 6.420 26 HG22 THR 3 HG22 THR 3 17.161 -5.019 4.828 27 HG23 THR 3 HG23 THR 3 16.518 -6.655 4.971 28 H LYS 4 HN LYS 4 12.619 -6.623 4.342 29 HA LYS 4 HA LYS 4 10.397 -4.933 3.839 30 HB2 LYS 4 HB2 LYS 4 10.026 -7.256 3.560 31 HB3 LYS 4 HB1 LYS 4 10.759 -7.645 5.106 32 HG2 LYS 4 HG2 LYS 4 8.819 -6.535 6.221 33 HG3 LYS 4 HG1 LYS 4 8.079 -6.372 4.628 34 HD2 LYS 4 HD2 LYS 4 7.841 -8.681 4.369 35 HD3 LYS 4 HD1 LYS 4 9.021 -9.035 5.629 36 HE2 LYS 4 HE2 LYS 4 6.827 -9.540 6.462 37 HE3 LYS 4 HE1 LYS 4 7.441 -8.123 7.304 38 HZ1 LYS 4 HZ1 LYS 4 6.030 -6.713 6.056 39 HZ2 LYS 4 HZ2 LYS 4 5.072 -8.004 6.580 40 HZ3 LYS 4 HZ3 LYS 4 5.609 -7.956 4.979 41 H GLU 5 HN GLU 5 12.540 -5.320 6.389 42 HA GLU 5 HA GLU 5 10.807 -4.903 8.595 43 HB2 GLU 5 HB2 GLU 5 13.782 -4.739 8.233 44 HB3 GLU 5 HB1 GLU 5 13.017 -4.390 9.781 45 HG2 GLU 5 HG2 GLU 5 12.908 -6.988 8.267 46 HG3 GLU 5 HG1 GLU 5 13.845 -6.660 9.723 47 H GLN 6 HN GLN 6 12.850 -2.865 6.654 48 HA GLN 6 HA GLN 6 12.159 -0.485 8.105 49 HB2 GLN 6 HB2 GLN 6 13.334 0.693 6.300 50 HB3 GLN 6 HB1 GLN 6 14.308 -0.607 6.965 51 HG2 GLN 6 HG2 GLN 6 14.658 -1.176 4.847 52 HG3 GLN 6 HG1 GLN 6 13.022 -1.843 4.897 53 HE21 GLN 6 HE21 GLN 6 11.308 -0.590 4.022 54 HE22 GLN 6 HE22 GLN 6 11.612 0.659 2.854 55 H VAL 7 HN VAL 7 10.813 -2.370 5.592 56 HA VAL 7 HA VAL 7 9.297 -0.307 4.274 57 HB VAL 7 HB VAL 7 9.084 -3.329 4.277 58 HG11 VAL 7 HG11 VAL 7 6.873 -2.383 3.924 59 HG12 VAL 7 HG12 VAL 7 7.489 -3.132 2.452 60 HG13 VAL 7 HG13 VAL 7 7.504 -1.377 2.622 61 HG21 VAL 7 HG21 VAL 7 11.036 -2.434 3.123 62 HG22 VAL 7 HG22 VAL 7 9.994 -1.391 2.154 63 HG23 VAL 7 HG23 VAL 7 9.897 -3.143 1.978 64 H GLU 8 HN GLU 8 8.877 -2.657 6.729 65 HA GLU 8 HA GLU 8 6.189 -2.475 7.364 66 HB2 GLU 8 HB2 GLU 8 8.729 -3.174 8.745 67 HB3 GLU 8 HB1 GLU 8 7.245 -3.077 9.697 68 HG2 GLU 8 HG2 GLU 8 7.790 -4.879 7.346 69 HG3 GLU 8 HG1 GLU 8 7.682 -5.360 9.037 70 H ALA 9 HN ALA 9 8.989 -0.663 8.538 71 HA ALA 9 HA ALA 9 7.382 0.899 10.360 72 HB1 ALA 9 HB1 ALA 9 9.651 0.251 10.997 73 HB2 ALA 9 HB2 ALA 9 9.494 2.005 10.922 74 HB3 ALA 9 HB3 ALA 9 10.299 1.137 9.616 75 H SER 10 HN SER 10 8.482 1.009 7.138 76 HA SER 10 HA SER 10 8.502 3.886 6.888 77 HB2 SER 10 HB2 SER 10 9.869 2.469 5.399 78 HB3 SER 10 HB1 SER 10 8.399 1.782 4.712 79 HG SER 10 HG SER 10 9.373 3.560 3.500 80 H LEU 11 HN LEU 11 6.373 1.356 5.599 81 HA LEU 11 HA LEU 11 4.455 3.078 4.495 82 HB2 LEU 11 HB2 LEU 11 4.405 0.207 5.384 83 HB3 LEU 11 HB1 LEU 11 2.945 0.980 4.812 84 HG LEU 11 HG LEU 11 4.136 -0.400 3.099 85 HD11 LEU 11 HD11 LEU 11 3.856 1.183 1.302 86 HD12 LEU 11 HD12 LEU 11 3.913 2.526 2.443 87 HD13 LEU 11 HD13 LEU 11 2.569 1.384 2.494 88 HD21 LEU 11 HD21 LEU 11 6.124 0.505 2.021 89 HD22 LEU 11 HD22 LEU 11 6.445 0.144 3.717 90 HD23 LEU 11 HD23 LEU 11 6.188 1.811 3.203 91 H THR 12 HN THR 12 4.755 1.691 7.705 92 HA THR 12 HA THR 12 2.212 2.525 8.641 93 HB THR 12 HB THR 12 4.692 1.887 10.253 94 HG1 THR 12 HG1 THR 12 4.380 -0.011 9.336 95 HG21 THR 12 HG21 THR 12 2.913 2.960 11.561 96 HG22 THR 12 HG22 THR 12 3.116 1.269 12.017 97 HG23 THR 12 HG23 THR 12 1.765 1.750 10.990 98 H SER 13 HN SER 13 5.193 4.189 8.191 99 HA SER 13 HA SER 13 4.515 6.272 10.132 100 HB2 SER 13 HB2 SER 13 6.942 5.880 8.382 101 HB3 SER 13 HB1 SER 13 6.729 7.234 9.492 102 HG SER 13 HG SER 13 7.218 4.526 10.032 103 H LYS 14 HN LYS 14 5.003 5.827 6.676 104 HA LYS 14 HA LYS 14 4.611 8.620 6.075 105 HB2 LYS 14 HB2 LYS 14 4.814 6.205 4.259 106 HB3 LYS 14 HB1 LYS 14 4.787 7.874 3.713 107 HG2 LYS 14 HG2 LYS 14 6.889 8.309 4.810 108 HG3 LYS 14 HG1 LYS 14 6.902 6.682 5.491 109 HD2 LYS 14 HD2 LYS 14 7.053 5.720 3.269 110 HD3 LYS 14 HD1 LYS 14 6.933 7.324 2.541 111 HE2 LYS 14 HE2 LYS 14 9.032 7.971 3.594 112 HE3 LYS 14 HE1 LYS 14 9.145 6.390 4.365 113 HZ1 LYS 14 HZ1 LYS 14 9.407 5.350 2.242 114 HZ2 LYS 14 HZ2 LYS 14 10.516 6.621 2.343 115 HZ3 LYS 14 HZ3 LYS 14 9.112 6.806 1.419 116 H LEU 15 HN LEU 15 2.754 5.713 6.195 117 HA LEU 15 HA LEU 15 0.501 7.055 4.841 118 HB2 LEU 15 HB2 LEU 15 1.639 4.333 4.674 119 HB3 LEU 15 HB1 LEU 15 -0.113 4.443 4.630 120 HG LEU 15 HG LEU 15 -0.139 5.526 2.574 121 HD11 LEU 15 HD11 LEU 15 1.857 6.596 1.553 122 HD12 LEU 15 HD12 LEU 15 2.724 6.327 3.064 123 HD13 LEU 15 HD13 LEU 15 1.310 7.380 3.033 124 HD21 LEU 15 HD21 LEU 15 0.700 3.237 2.362 125 HD22 LEU 15 HD22 LEU 15 2.353 3.840 2.466 126 HD23 LEU 15 HD23 LEU 15 1.334 4.289 1.099 127 H LYS 16 HN LYS 16 1.647 5.874 7.707 128 HA LYS 16 HA LYS 16 0.781 5.892 9.779 129 HB2 LYS 16 HB2 LYS 16 -1.833 6.624 8.447 130 HB3 LYS 16 HB1 LYS 16 -1.565 6.602 10.185 131 HG2 LYS 16 HG2 LYS 16 0.134 8.342 9.949 132 HG3 LYS 16 HG1 LYS 16 -0.131 8.363 8.205 133 HD2 LYS 16 HD2 LYS 16 -2.462 9.031 8.577 134 HD3 LYS 16 HD1 LYS 16 -2.177 9.032 10.318 135 HE2 LYS 16 HE2 LYS 16 -0.513 10.788 10.059 136 HE3 LYS 16 HE1 LYS 16 -0.745 10.768 8.312 137 HZ1 LYS 16 HZ1 LYS 16 -2.744 11.550 10.362 138 HZ2 LYS 16 HZ2 LYS 16 -3.085 11.400 8.709 139 HZ3 LYS 16 HZ3 LYS 16 -1.983 12.567 9.244 140 HA PRO 17 HA PRO 17 -0.422 1.759 10.230 141 HB2 PRO 17 HB2 PRO 17 -1.496 2.072 12.881 142 HB3 PRO 17 HB1 PRO 17 0.104 1.504 12.408 143 HG2 PRO 17 HG2 PRO 17 -0.373 3.875 13.708 144 HG3 PRO 17 HG1 PRO 17 1.052 3.555 12.705 145 HD2 PRO 17 HD2 PRO 17 -1.447 5.055 12.034 146 HD3 PRO 17 HD1 PRO 17 0.236 5.410 11.592 147 H ILE 18 HN ILE 18 -2.378 2.606 8.698 148 HA ILE 18 HA ILE 18 -4.928 2.064 10.019 149 HB ILE 18 HB ILE 18 -4.560 2.533 7.077 150 HG12 ILE 18 HG12 ILE 18 -3.450 4.388 8.260 151 HG13 ILE 18 HG11 ILE 18 -4.916 4.928 7.453 152 HG21 ILE 18 HG21 ILE 18 -6.861 3.007 8.972 153 HG22 ILE 18 HG22 ILE 18 -6.734 1.720 7.771 154 HG23 ILE 18 HG23 ILE 18 -6.863 3.401 7.253 155 HD11 ILE 18 HD11 ILE 18 -4.603 4.363 10.390 156 HD12 ILE 18 HD12 ILE 18 -6.099 4.859 9.596 157 HD13 ILE 18 HD13 ILE 18 -4.713 5.948 9.624 158 H HIS 19 HN HIS 19 -3.890 1.004 6.775 159 HA HIS 19 HA HIS 19 -3.832 -1.759 7.694 160 HB2 HIS 19 HB2 HIS 19 -6.153 -1.503 6.982 161 HB3 HIS 19 HB1 HIS 19 -5.635 -0.818 5.452 162 HD1 HIS 19 HD1 HIS 19 -6.347 -4.010 7.122 163 HD2 HIS 19 HD2 HIS 19 -4.441 -2.740 3.652 164 HE1 HIS 19 HE1 HIS 19 -6.211 -6.034 5.640 165 HE2 HIS 19 HE2 HIS 19 -4.939 -5.283 3.594 166 H LEU 20 HN LEU 20 -1.734 -1.915 7.272 167 HA LEU 20 HA LEU 20 -0.949 -1.740 4.444 168 HB2 LEU 20 HB2 LEU 20 0.862 -1.437 6.855 169 HB3 LEU 20 HB1 LEU 20 1.366 -1.382 5.184 170 HG LEU 20 HG LEU 20 1.386 0.840 5.956 171 HD11 LEU 20 HD11 LEU 20 0.435 0.593 3.739 172 HD12 LEU 20 HD12 LEU 20 -0.278 1.965 4.587 173 HD13 LEU 20 HD13 LEU 20 -1.179 0.457 4.435 174 HD21 LEU 20 HD21 LEU 20 -0.503 1.936 7.039 175 HD22 LEU 20 HD22 LEU 20 0.070 0.554 7.973 176 HD23 LEU 20 HD23 LEU 20 -1.402 0.419 7.009 177 H GLU 21 HN GLU 21 -0.331 -3.629 3.610 178 HA GLU 21 HA GLU 21 0.777 -5.688 5.327 179 HB2 GLU 21 HB2 GLU 21 -1.569 -6.139 3.471 180 HB3 GLU 21 HB1 GLU 21 -0.580 -7.441 4.117 181 HG2 GLU 21 HG2 GLU 21 -1.179 -6.520 6.418 182 HG3 GLU 21 HG1 GLU 21 -2.418 -5.586 5.582 183 H VAL 22 HN VAL 22 2.737 -5.501 4.467 184 HA VAL 22 HA VAL 22 3.011 -5.611 1.570 185 HB VAL 22 HB VAL 22 5.214 -4.804 1.796 186 HG11 VAL 22 HG11 VAL 22 3.436 -3.149 2.218 187 HG12 VAL 22 HG12 VAL 22 4.933 -2.745 3.056 188 HG13 VAL 22 HG13 VAL 22 3.584 -3.449 3.947 189 HG21 VAL 22 HG21 VAL 22 5.047 -5.331 4.764 190 HG22 VAL 22 HG22 VAL 22 6.397 -4.568 3.925 191 HG23 VAL 22 HG23 VAL 22 5.996 -6.254 3.598 192 H ILE 23 HN ILE 23 3.762 -7.329 0.535 193 HA ILE 23 HA ILE 23 4.318 -9.707 2.154 194 HB ILE 23 HB ILE 23 3.137 -9.702 -0.607 195 HG12 ILE 23 HG12 ILE 23 1.592 -9.936 1.979 196 HG13 ILE 23 HG11 ILE 23 1.725 -8.434 1.073 197 HG21 ILE 23 HG21 ILE 23 2.407 -11.962 0.009 198 HG22 ILE 23 HG22 ILE 23 3.182 -11.772 1.581 199 HG23 ILE 23 HG23 ILE 23 4.159 -11.789 0.114 200 HD11 ILE 23 HD11 ILE 23 0.633 -9.508 -0.835 201 HD12 ILE 23 HD12 ILE 23 -0.371 -9.529 0.615 202 HD13 ILE 23 HD13 ILE 23 0.475 -10.991 0.105 203 H ASP 24 HN ASP 24 6.466 -9.521 2.105 204 HA ASP 24 HA ASP 24 8.107 -8.986 -0.092 205 HB2 ASP 24 HB2 ASP 24 9.039 -8.813 2.108 206 HB3 ASP 24 HB1 ASP 24 8.684 -10.505 2.449 207 H ILE 25 HN ILE 25 8.478 -10.080 -1.821 208 HA ILE 25 HA ILE 25 8.027 -12.977 -1.867 209 HB ILE 25 HB ILE 25 8.417 -11.057 -4.168 210 HG12 ILE 25 HG12 ILE 25 5.813 -12.251 -3.233 211 HG13 ILE 25 HG11 ILE 25 6.373 -10.668 -2.705 212 HG21 ILE 25 HG21 ILE 25 7.482 -12.853 -5.537 213 HG22 ILE 25 HG22 ILE 25 7.384 -13.890 -4.113 214 HG23 ILE 25 HG23 ILE 25 8.957 -13.370 -4.720 215 HD11 ILE 25 HD11 ILE 25 5.904 -11.470 -5.562 216 HD12 ILE 25 HD12 ILE 25 6.366 -9.872 -4.973 217 HD13 ILE 25 HD13 ILE 25 4.786 -10.542 -4.562 218 H SER 26 HN SER 26 10.553 -10.697 -1.677 219 HA SER 26 HA SER 26 12.464 -12.585 -2.824 220 HB2 SER 26 HB2 SER 26 13.388 -10.451 -4.084 221 HB3 SER 26 HB1 SER 26 12.101 -11.440 -4.779 222 HG SER 26 HG SER 26 10.595 -9.972 -3.949 223 H GLY 27 HN GLY 27 12.949 -9.129 -2.250 224 HA2 GLY 27 HA2 GLY 27 13.951 -9.016 0.261 225 HA3 GLY 27 HA1 GLY 27 15.262 -9.753 -0.645 226 H GLY 28 HN GLY 28 16.514 -8.501 -2.003 227 HA2 GLY 28 HA2 GLY 28 15.957 -5.609 -1.793 228 HA3 GLY 28 HA1 GLY 28 17.565 -6.284 -1.614 229 H CYS 29 HN CYS 29 17.725 -7.992 -3.774 230 HA CYS 29 HA CYS 29 17.903 -6.054 -5.946 231 HB2 CYS 29 HB2 CYS 29 19.865 -7.442 -5.494 232 HB3 CYS 29 HB1 CYS 29 18.911 -8.900 -5.726 233 HG CYS 29 HG CYS 29 20.790 -7.857 -7.878 234 H GLY 30 HN GLY 30 16.248 -8.939 -5.015 235 HA2 GLY 30 HA2 GLY 30 14.789 -9.169 -7.504 236 HA3 GLY 30 HA1 GLY 30 14.597 -10.180 -6.073 237 H SER 31 HN SER 31 14.771 -7.403 -4.733 238 HA SER 31 HA SER 31 12.609 -7.387 -3.307 239 HB2 SER 31 HB2 SER 31 14.264 -5.682 -3.028 240 HB3 SER 31 HB1 SER 31 13.855 -4.949 -4.575 241 HG SER 31 HG SER 31 12.575 -4.780 -2.119 242 H SER 32 HN SER 32 10.678 -7.825 -3.762 243 HA SER 32 HA SER 32 9.115 -5.888 -5.246 244 HB2 SER 32 HB2 SER 32 7.828 -7.909 -6.272 245 HB3 SER 32 HB1 SER 32 9.336 -7.394 -7.024 246 HG SER 32 HG SER 32 10.398 -9.058 -5.878 247 H PHE 33 HN PHE 33 7.912 -5.200 -3.630 248 HA PHE 33 HA PHE 33 6.772 -7.191 -1.798 249 HB2 PHE 33 HB2 PHE 33 6.997 -4.208 -1.421 250 HB3 PHE 33 HB1 PHE 33 6.426 -5.367 -0.231 251 HD1 PHE 33 HD2 PHE 33 7.999 -7.088 0.626 252 HD2 PHE 33 HD1 PHE 33 9.289 -3.745 -1.653 253 HE1 PHE 33 HE2 PHE 33 10.302 -7.414 1.447 254 HE2 PHE 33 HE1 PHE 33 11.587 -4.067 -0.847 255 HZ PHE 33 HZ PHE 33 12.094 -5.903 0.708 256 H GLU 34 HN GLU 34 4.697 -7.560 -1.828 257 HA GLU 34 HA GLU 34 2.959 -5.922 -3.533 258 HB2 GLU 34 HB2 GLU 34 2.333 -8.499 -2.065 259 HB3 GLU 34 HB1 GLU 34 1.349 -7.727 -3.295 260 HG2 GLU 34 HG2 GLU 34 4.113 -8.752 -3.830 261 HG3 GLU 34 HG1 GLU 34 2.664 -9.735 -4.027 262 H VAL 35 HN VAL 35 2.171 -4.178 -2.485 263 HA VAL 35 HA VAL 35 1.678 -4.459 0.387 264 HB VAL 35 HB VAL 35 2.021 -2.120 0.593 265 HG11 VAL 35 HG11 VAL 35 4.310 -1.880 -0.153 266 HG12 VAL 35 HG12 VAL 35 4.087 -3.199 -1.304 267 HG13 VAL 35 HG13 VAL 35 4.026 -3.522 0.426 268 HG21 VAL 35 HG21 VAL 35 0.875 -1.326 -1.393 269 HG22 VAL 35 HG22 VAL 35 2.151 -1.989 -2.415 270 HG23 VAL 35 HG23 VAL 35 2.503 -0.651 -1.319 271 H GLU 36 HN GLU 36 -0.223 -3.908 1.310 272 HA GLU 36 HA GLU 36 -2.376 -2.905 -0.419 273 HB2 GLU 36 HB2 GLU 36 -2.557 -4.446 2.180 274 HB3 GLU 36 HB1 GLU 36 -3.929 -3.732 1.351 275 HG2 GLU 36 HG2 GLU 36 -3.344 -5.194 -0.615 276 HG3 GLU 36 HG1 GLU 36 -2.213 -6.023 0.457 277 H VAL 37 HN VAL 37 -3.065 -0.903 0.039 278 HA VAL 37 HA VAL 37 -2.215 0.247 2.602 279 HB VAL 37 HB VAL 37 -2.341 1.750 -0.011 280 HG11 VAL 37 HG11 VAL 37 -2.760 3.133 1.924 281 HG12 VAL 37 HG12 VAL 37 -1.183 3.514 1.232 282 HG13 VAL 37 HG13 VAL 37 -1.289 2.537 2.696 283 HG21 VAL 37 HG21 VAL 37 -0.509 0.144 -0.092 284 HG22 VAL 37 HG22 VAL 37 0.088 0.726 1.462 285 HG23 VAL 37 HG23 VAL 37 0.115 1.787 0.054 286 H VAL 38 HN VAL 38 -3.758 1.018 3.740 287 HA VAL 38 HA VAL 38 -6.052 2.288 2.419 288 HB VAL 38 HB VAL 38 -6.048 0.916 5.122 289 HG11 VAL 38 HG11 VAL 38 -7.502 2.852 5.127 290 HG12 VAL 38 HG12 VAL 38 -8.463 1.372 5.135 291 HG13 VAL 38 HG13 VAL 38 -8.281 2.297 3.644 292 HG21 VAL 38 HG21 VAL 38 -7.418 0.138 2.548 293 HG22 VAL 38 HG22 VAL 38 -7.611 -0.676 4.101 294 HG23 VAL 38 HG23 VAL 38 -6.047 -0.691 3.287 295 H SER 39 HN SER 39 -5.379 4.372 2.452 296 HA SER 39 HA SER 39 -4.648 5.509 5.036 297 HB2 SER 39 HB2 SER 39 -2.538 4.842 3.870 298 HB3 SER 39 HB1 SER 39 -2.981 5.915 2.542 299 HG SER 39 HG SER 39 -2.111 6.517 5.131 300 H GLU 40 HN GLU 40 -4.758 7.797 5.072 301 HA GLU 40 HA GLU 40 -7.164 8.752 3.996 302 HB2 GLU 40 HB2 GLU 40 -6.537 10.871 5.061 303 HB3 GLU 40 HB1 GLU 40 -6.257 9.490 6.111 304 HG2 GLU 40 HG2 GLU 40 -3.893 9.538 5.611 305 HG3 GLU 40 HG1 GLU 40 -4.145 10.876 4.490 306 H GLN 41 HN GLN 41 -4.487 8.314 2.249 307 HA GLN 41 HA GLN 41 -4.585 10.857 0.798 308 HB2 GLN 41 HB2 GLN 41 -2.694 8.550 0.838 309 HB3 GLN 41 HB1 GLN 41 -2.825 9.469 -0.654 310 HG2 GLN 41 HG2 GLN 41 -1.005 10.341 0.605 311 HG3 GLN 41 HG1 GLN 41 -2.305 11.527 0.621 312 HE21 GLN 41 HE21 GLN 41 -2.221 8.632 2.610 313 HE22 GLN 41 HE22 GLN 41 -2.038 9.451 4.115 314 H PHE 42 HN PHE 42 -6.286 8.217 0.990 315 HA PHE 42 HA PHE 42 -6.975 8.120 -1.872 316 HB2 PHE 42 HB2 PHE 42 -7.385 6.022 0.270 317 HB3 PHE 42 HB1 PHE 42 -7.752 5.834 -1.441 318 HD1 PHE 42 HD1 PHE 42 -5.102 7.277 -2.323 319 HD2 PHE 42 HD2 PHE 42 -5.985 4.089 0.374 320 HE1 PHE 42 HE1 PHE 42 -2.876 6.322 -2.691 321 HE2 PHE 42 HE2 PHE 42 -3.753 3.153 0.004 322 HZ PHE 42 HZ PHE 42 -2.192 4.268 -1.530 323 H GLU 43 HN GLU 43 -7.880 9.932 0.375 324 HA GLU 43 HA GLU 43 -10.415 8.774 1.285 325 HB2 GLU 43 HB2 GLU 43 -8.797 9.885 2.851 326 HB3 GLU 43 HB1 GLU 43 -9.148 11.409 2.049 327 HG2 GLU 43 HG2 GLU 43 -10.475 11.412 3.965 328 HG3 GLU 43 HG1 GLU 43 -11.574 10.994 2.653 329 H GLY 44 HN GLY 44 -12.170 9.067 0.020 330 HA2 GLY 44 HA2 GLY 44 -13.540 9.982 -1.588 331 HA3 GLY 44 HA1 GLY 44 -13.229 11.501 -0.760 332 H LYS 45 HN LYS 45 -10.599 9.763 -2.172 333 HA LYS 45 HA LYS 45 -10.108 11.990 -3.980 334 HB2 LYS 45 HB2 LYS 45 -8.339 9.629 -3.374 335 HB3 LYS 45 HB1 LYS 45 -7.868 11.135 -4.097 336 HG2 LYS 45 HG2 LYS 45 -8.779 10.824 -1.267 337 HG3 LYS 45 HG1 LYS 45 -7.108 10.992 -1.799 338 HD2 LYS 45 HD2 LYS 45 -9.282 13.042 -2.218 339 HD3 LYS 45 HD1 LYS 45 -8.060 13.103 -0.949 340 HE2 LYS 45 HE2 LYS 45 -6.312 13.128 -2.716 341 HE3 LYS 45 HE1 LYS 45 -7.591 13.218 -3.925 342 HZ1 LYS 45 HZ1 LYS 45 -7.089 15.211 -1.784 343 HZ2 LYS 45 HZ2 LYS 45 -8.324 15.300 -2.935 344 HZ3 LYS 45 HZ3 LYS 45 -6.708 15.402 -3.420 345 H ARG 46 HN ARG 46 -9.469 11.591 -6.164 346 HA ARG 46 HA ARG 46 -10.990 9.493 -7.419 347 HB2 ARG 46 HB2 ARG 46 -9.115 11.577 -8.548 348 HB3 ARG 46 HB1 ARG 46 -9.998 10.425 -9.531 349 HG2 ARG 46 HG2 ARG 46 -12.103 11.363 -8.787 350 HG3 ARG 46 HG1 ARG 46 -11.245 12.477 -7.722 351 HD2 ARG 46 HD2 ARG 46 -11.940 13.571 -9.797 352 HD3 ARG 46 HD1 ARG 46 -10.186 13.528 -9.639 353 HE ARG 46 HE ARG 46 -11.149 11.305 -11.133 354 HH11 ARG 46 HH11 ARG 46 -10.469 14.732 -11.366 355 HH12 ARG 46 HH12 ARG 46 -10.173 14.692 -13.073 356 HH21 ARG 46 HH21 ARG 46 -10.746 11.246 -13.390 357 HH22 ARG 46 HH22 ARG 46 -10.320 12.708 -14.220 358 H LEU 47 HN LEU 47 -10.217 7.653 -8.227 359 HA LEU 47 HA LEU 47 -8.290 6.216 -7.076 360 HB2 LEU 47 HB2 LEU 47 -9.343 6.064 -9.873 361 HB3 LEU 47 HB1 LEU 47 -8.126 4.933 -9.325 362 HG LEU 47 HG LEU 47 -10.375 3.978 -9.192 363 HD11 LEU 47 HD11 LEU 47 -10.254 3.107 -6.970 364 HD12 LEU 47 HD12 LEU 47 -9.285 4.476 -6.434 365 HD13 LEU 47 HD13 LEU 47 -8.611 3.315 -7.577 366 HD21 LEU 47 HD21 LEU 47 -11.640 6.028 -8.808 367 HD22 LEU 47 HD22 LEU 47 -10.946 6.160 -7.194 368 HD23 LEU 47 HD23 LEU 47 -12.007 4.808 -7.589 369 H LEU 48 HN LEU 48 -7.718 8.234 -9.915 370 HA LEU 48 HA LEU 48 -5.051 7.368 -10.345 371 HB2 LEU 48 HB2 LEU 48 -6.395 8.398 -12.113 372 HB3 LEU 48 HB1 LEU 48 -6.435 9.905 -11.219 373 HG LEU 48 HG LEU 48 -4.028 10.178 -11.515 374 HD11 LEU 48 HD11 LEU 48 -3.345 7.854 -11.522 375 HD12 LEU 48 HD12 LEU 48 -2.781 8.658 -12.987 376 HD13 LEU 48 HD13 LEU 48 -4.184 7.590 -13.050 377 HD21 LEU 48 HD21 LEU 48 -5.492 11.107 -13.204 378 HD22 LEU 48 HD22 LEU 48 -5.498 9.575 -14.077 379 HD23 LEU 48 HD23 LEU 48 -4.010 10.512 -13.950 380 H GLU 49 HN GLU 49 -6.421 10.261 -8.827 381 HA GLU 49 HA GLU 49 -3.968 11.427 -8.018 382 HB2 GLU 49 HB2 GLU 49 -6.453 11.793 -6.394 383 HB3 GLU 49 HB1 GLU 49 -5.264 12.989 -6.889 384 HG2 GLU 49 HG2 GLU 49 -7.299 11.698 -8.678 385 HG3 GLU 49 HG1 GLU 49 -7.426 13.315 -7.976 386 H ARG 50 HN ARG 50 -6.160 9.128 -6.729 387 HA ARG 50 HA ARG 50 -5.360 8.836 -4.108 388 HB2 ARG 50 HB2 ARG 50 -7.352 7.837 -4.852 389 HB3 ARG 50 HB1 ARG 50 -6.572 7.072 -6.228 390 HG2 ARG 50 HG2 ARG 50 -5.496 5.487 -4.719 391 HG3 ARG 50 HG1 ARG 50 -6.258 6.278 -3.339 392 HD2 ARG 50 HD2 ARG 50 -7.600 4.797 -5.582 393 HD3 ARG 50 HD1 ARG 50 -7.565 4.367 -3.874 394 HE ARG 50 HE ARG 50 -8.834 6.889 -4.648 395 HH11 ARG 50 HH11 ARG 50 -9.161 3.605 -3.464 396 HH12 ARG 50 HH12 ARG 50 -10.821 3.814 -2.993 397 HH21 ARG 50 HH21 ARG 50 -11.003 7.168 -4.014 398 HH22 ARG 50 HH22 ARG 50 -11.859 5.852 -3.267 399 H HIS 51 HN HIS 51 -4.306 7.007 -6.975 400 HA HIS 51 HA HIS 51 -2.188 5.694 -5.584 401 HB2 HIS 51 HB2 HIS 51 -2.630 6.057 -8.555 402 HB3 HIS 51 HB1 HIS 51 -1.415 5.000 -7.849 403 HD1 HIS 51 HD1 HIS 51 -4.574 4.774 -9.350 404 HD2 HIS 51 HD2 HIS 51 -2.902 3.077 -5.960 405 HE1 HIS 51 HE1 HIS 51 -5.954 2.750 -8.828 406 HE2 HIS 51 HE2 HIS 51 -4.791 1.627 -6.922 407 H ARG 52 HN ARG 52 -2.383 8.540 -7.609 408 HA ARG 52 HA ARG 52 0.402 8.873 -7.992 409 HB2 ARG 52 HB2 ARG 52 -1.330 9.796 -9.487 410 HB3 ARG 52 HB1 ARG 52 -1.869 10.865 -8.205 411 HG2 ARG 52 HG2 ARG 52 0.971 11.077 -8.956 412 HG3 ARG 52 HG1 ARG 52 -0.201 11.604 -10.163 413 HD2 ARG 52 HD2 ARG 52 -0.062 12.555 -7.305 414 HD3 ARG 52 HD1 ARG 52 0.513 13.447 -8.711 415 HE ARG 52 HE ARG 52 -2.154 12.845 -9.184 416 HH11 ARG 52 HH11 ARG 52 -0.276 14.688 -6.894 417 HH12 ARG 52 HH12 ARG 52 -1.528 15.848 -6.590 418 HH21 ARG 52 HH21 ARG 52 -3.840 14.368 -8.781 419 HH22 ARG 52 HH22 ARG 52 -3.555 15.654 -7.648 420 H MET 53 HN MET 53 -1.558 9.352 -5.294 421 HA MET 53 HA MET 53 0.010 11.623 -4.334 422 HB2 MET 53 HB2 MET 53 -2.520 11.513 -4.145 423 HB3 MET 53 HB1 MET 53 -2.285 10.278 -2.917 424 HG2 MET 53 HG2 MET 53 -2.634 12.400 -1.852 425 HG3 MET 53 HG1 MET 53 -0.976 11.869 -1.581 426 HE1 MET 53 HE1 MET 53 -2.591 13.513 -4.803 427 HE2 MET 53 HE2 MET 53 -2.234 15.211 -4.498 428 HE3 MET 53 HE3 MET 53 -3.339 14.338 -3.436 429 H VAL 54 HN VAL 54 -0.762 8.301 -3.540 430 HA VAL 54 HA VAL 54 0.705 8.255 -1.107 431 HB VAL 54 HB VAL 54 -1.077 6.615 -2.359 432 HG11 VAL 54 HG11 VAL 54 1.482 5.056 -2.223 433 HG12 VAL 54 HG12 VAL 54 0.694 5.590 -3.709 434 HG13 VAL 54 HG13 VAL 54 -0.114 4.433 -2.646 435 HG21 VAL 54 HG21 VAL 54 -0.839 5.182 -0.363 436 HG22 VAL 54 HG22 VAL 54 -0.870 6.901 0.025 437 HG23 VAL 54 HG23 VAL 54 0.659 6.024 0.020 438 H ASN 55 HN ASN 55 1.383 7.440 -4.444 439 HA ASN 55 HA ASN 55 3.967 6.370 -3.803 440 HB2 ASN 55 HB2 ASN 55 4.265 5.894 -6.026 441 HB3 ASN 55 HB1 ASN 55 2.513 5.798 -5.897 442 HD21 ASN 55 HD21 ASN 55 2.078 8.604 -5.795 443 HD22 ASN 55 HD22 ASN 55 2.503 9.287 -7.323 444 H ALA 56 HN ALA 56 2.673 9.478 -4.239 445 HA ALA 56 HA ALA 56 5.012 10.826 -5.046 446 HB1 ALA 56 HB1 ALA 56 2.870 11.792 -3.147 447 HB2 ALA 56 HB2 ALA 56 2.853 11.967 -4.901 448 HB3 ALA 56 HB3 ALA 56 4.072 12.808 -3.944 449 H ALA 57 HN ALA 57 3.832 9.740 -1.940 450 HA ALA 57 HA ALA 57 6.198 10.677 -0.529 451 HB1 ALA 57 HB1 ALA 57 4.026 11.012 0.508 452 HB2 ALA 57 HB2 ALA 57 4.991 9.892 1.472 453 HB3 ALA 57 HB3 ALA 57 3.704 9.280 0.430 454 H LEU 58 HN LEU 58 5.581 8.164 -2.425 455 HA LEU 58 HA LEU 58 7.166 6.261 -0.848 456 HB2 LEU 58 HB2 LEU 58 4.469 5.976 -1.851 457 HB3 LEU 58 HB1 LEU 58 5.522 4.763 -2.545 458 HG LEU 58 HG LEU 58 6.158 4.044 -0.261 459 HD11 LEU 58 HD11 LEU 58 5.770 6.153 0.903 460 HD12 LEU 58 HD12 LEU 58 4.871 4.831 1.648 461 HD13 LEU 58 HD13 LEU 58 4.037 5.994 0.617 462 HD21 LEU 58 HD21 LEU 58 3.198 4.071 -0.830 463 HD22 LEU 58 HD22 LEU 58 4.023 2.973 0.273 464 HD23 LEU 58 HD23 LEU 58 4.369 2.909 -1.454 465 H GLU 59 HN GLU 59 7.123 8.163 -3.425 466 HA GLU 59 HA GLU 59 7.877 6.429 -5.559 467 HB2 GLU 59 HB2 GLU 59 6.994 8.670 -6.043 468 HB3 GLU 59 HB1 GLU 59 8.344 9.403 -5.165 469 HG2 GLU 59 HG2 GLU 59 8.811 9.643 -7.465 470 HG3 GLU 59 HG1 GLU 59 9.889 8.389 -6.858 471 H GLU 60 HN GLU 60 9.487 8.086 -3.002 472 HA GLU 60 HA GLU 60 12.132 7.635 -4.016 473 HB2 GLU 60 HB2 GLU 60 12.616 8.413 -1.524 474 HB3 GLU 60 HB1 GLU 60 12.144 9.541 -2.779 475 HG2 GLU 60 HG2 GLU 60 10.859 10.176 -0.966 476 HG3 GLU 60 HG1 GLU 60 9.748 9.227 -1.944 477 H GLU 61 HN GLU 61 9.880 6.236 -1.824 478 HA GLU 61 HA GLU 61 11.461 4.254 -0.646 479 HB2 GLU 61 HB2 GLU 61 9.115 4.980 -0.040 480 HB3 GLU 61 HB1 GLU 61 8.554 4.070 -1.429 481 HG2 GLU 61 HG2 GLU 61 8.230 2.760 0.555 482 HG3 GLU 61 HG1 GLU 61 9.459 2.008 -0.457 483 H MET 62 HN MET 62 9.541 4.352 -3.602 484 HA MET 62 HA MET 62 10.010 1.632 -4.290 485 HB2 MET 62 HB2 MET 62 9.044 3.934 -5.984 486 HB3 MET 62 HB1 MET 62 9.048 2.250 -6.493 487 HG2 MET 62 HG2 MET 62 7.562 1.729 -4.572 488 HG3 MET 62 HG1 MET 62 7.477 3.454 -4.227 489 HE1 MET 62 HE1 MET 62 6.486 0.556 -6.627 490 HE2 MET 62 HE2 MET 62 7.512 1.531 -7.678 491 HE3 MET 62 HE3 MET 62 5.782 1.415 -7.997 492 H LYS 63 HN LYS 63 11.691 4.593 -4.854 493 HA LYS 63 HA LYS 63 13.338 3.533 -6.958 494 HB2 LYS 63 HB2 LYS 63 13.601 6.043 -5.301 495 HB3 LYS 63 HB1 LYS 63 14.658 5.627 -6.641 496 HG2 LYS 63 HG2 LYS 63 11.696 6.137 -6.796 497 HG3 LYS 63 HG1 LYS 63 12.981 7.207 -7.352 498 HD2 LYS 63 HD2 LYS 63 13.673 5.531 -8.992 499 HD3 LYS 63 HD1 LYS 63 12.399 4.450 -8.427 500 HE2 LYS 63 HE2 LYS 63 11.683 5.575 -10.441 501 HE3 LYS 63 HE1 LYS 63 10.720 6.124 -9.071 502 HZ1 LYS 63 HZ1 LYS 63 12.167 8.092 -8.944 503 HZ2 LYS 63 HZ2 LYS 63 11.349 7.987 -10.417 504 HZ3 LYS 63 HZ3 LYS 63 12.984 7.572 -10.331 505 H GLU 64 HN GLU 64 13.243 2.998 -3.666 506 HA GLU 64 HA GLU 64 16.166 2.633 -3.547 507 HB2 GLU 64 HB2 GLU 64 14.937 4.053 -1.784 508 HB3 GLU 64 HB1 GLU 64 14.334 2.521 -1.167 509 HG2 GLU 64 HG2 GLU 64 16.548 1.757 -0.702 510 HG3 GLU 64 HG1 GLU 64 17.253 3.155 -1.508 511 H ILE 65 HN ILE 65 13.118 1.101 -3.505 512 HA ILE 65 HA ILE 65 14.297 -1.543 -3.044 513 HB ILE 65 HB ILE 65 11.886 -2.263 -3.239 514 HG12 ILE 65 HG12 ILE 65 11.541 0.724 -3.342 515 HG13 ILE 65 HG11 ILE 65 11.117 -0.425 -4.595 516 HG21 ILE 65 HG21 ILE 65 11.199 -1.296 -1.046 517 HG22 ILE 65 HG22 ILE 65 12.599 -0.226 -1.129 518 HG23 ILE 65 HG23 ILE 65 12.826 -1.972 -1.042 519 HD11 ILE 65 HD11 ILE 65 9.131 0.237 -3.521 520 HD12 ILE 65 HD12 ILE 65 9.842 -0.009 -1.933 521 HD13 ILE 65 HD13 ILE 65 9.480 -1.397 -2.959 522 H HIS 66 HN HIS 66 12.710 -3.064 -4.711 523 HA HIS 66 HA HIS 66 13.527 -2.060 -7.356 524 HB2 HIS 66 HB2 HIS 66 14.642 -4.154 -6.620 525 HB3 HIS 66 HB1 HIS 66 13.065 -4.938 -6.577 526 HD1 HIS 66 HD1 HIS 66 14.817 -2.791 -9.167 527 HD2 HIS 66 HD2 HIS 66 12.801 -6.385 -8.838 528 HE1 HIS 66 HE1 HIS 66 14.642 -3.693 -11.483 529 HE2 HIS 66 HE2 HIS 66 13.303 -5.800 -11.293 530 H ALA 67 HN ALA 67 10.786 -2.993 -5.470 531 HA ALA 67 HA ALA 67 8.965 -2.147 -7.440 532 HB1 ALA 67 HB1 ALA 67 7.870 -4.261 -7.984 533 HB2 ALA 67 HB2 ALA 67 9.100 -5.137 -7.074 534 HB3 ALA 67 HB3 ALA 67 9.546 -4.250 -8.530 535 H LEU 68 HN LEU 68 7.201 -1.502 -6.457 536 HA LEU 68 HA LEU 68 6.237 -2.936 -4.082 537 HB2 LEU 68 HB2 LEU 68 7.192 -0.378 -4.022 538 HB3 LEU 68 HB1 LEU 68 5.490 -0.111 -4.355 539 HG LEU 68 HG LEU 68 4.944 -1.493 -2.336 540 HD11 LEU 68 HD11 LEU 68 6.599 -2.016 -0.741 541 HD12 LEU 68 HD12 LEU 68 7.825 -1.086 -1.599 542 HD13 LEU 68 HD13 LEU 68 7.218 -2.588 -2.291 543 HD21 LEU 68 HD21 LEU 68 5.440 0.305 -0.756 544 HD22 LEU 68 HD22 LEU 68 4.863 0.938 -2.297 545 HD23 LEU 68 HD23 LEU 68 6.581 1.002 -1.906 546 H SER 69 HN SER 69 4.476 -3.969 -4.780 547 HA SER 69 HA SER 69 2.795 -2.723 -6.822 548 HB2 SER 69 HB2 SER 69 2.577 -5.490 -5.626 549 HB3 SER 69 HB1 SER 69 1.791 -4.901 -7.090 550 HG SER 69 HG SER 69 4.098 -6.104 -6.909 551 H ILE 70 HN ILE 70 1.407 -1.306 -5.911 552 HA ILE 70 HA ILE 70 0.221 -1.849 -3.336 553 HB ILE 70 HB ILE 70 0.851 0.433 -3.760 554 HG12 ILE 70 HG12 ILE 70 -2.168 0.236 -3.851 555 HG13 ILE 70 HG11 ILE 70 -1.185 0.024 -2.408 556 HG21 ILE 70 HG21 ILE 70 -0.990 0.366 -6.141 557 HG22 ILE 70 HG22 ILE 70 0.770 0.476 -6.170 558 HG23 ILE 70 HG23 ILE 70 -0.186 1.803 -5.511 559 HD11 ILE 70 HD11 ILE 70 -0.413 2.321 -2.589 560 HD12 ILE 70 HD12 ILE 70 -2.172 2.241 -2.512 561 HD13 ILE 70 HD13 ILE 70 -1.370 2.533 -4.056 562 H LYS 71 HN LYS 71 -0.912 -3.639 -3.650 563 HA LYS 71 HA LYS 71 -2.568 -4.189 -5.851 564 HB2 LYS 71 HB2 LYS 71 -3.175 -5.334 -3.151 565 HB3 LYS 71 HB1 LYS 71 -3.207 -6.119 -4.722 566 HG2 LYS 71 HG2 LYS 71 -0.753 -6.084 -4.771 567 HG3 LYS 71 HG1 LYS 71 -0.753 -5.342 -3.169 568 HD2 LYS 71 HD2 LYS 71 -0.410 -7.671 -2.840 569 HD3 LYS 71 HD1 LYS 71 -2.070 -7.328 -2.365 570 HE2 LYS 71 HE2 LYS 71 -1.940 -9.375 -3.683 571 HE3 LYS 71 HE1 LYS 71 -2.867 -8.133 -4.522 572 HZ1 LYS 71 HZ1 LYS 71 -0.028 -8.832 -5.063 573 HZ2 LYS 71 HZ2 LYS 71 -0.919 -7.641 -5.867 574 HZ3 LYS 71 HZ3 LYS 71 -1.354 -9.265 -6.020 575 H LYS 72 HN LYS 72 -3.075 -2.439 -2.919 576 HA LYS 72 HA LYS 72 -5.859 -1.936 -3.642 577 HB2 LYS 72 HB2 LYS 72 -4.937 -3.371 -1.257 578 HB3 LYS 72 HB1 LYS 72 -6.001 -2.016 -0.911 579 HG2 LYS 72 HG2 LYS 72 -7.357 -3.945 -1.090 580 HG3 LYS 72 HG1 LYS 72 -7.626 -2.981 -2.542 581 HD2 LYS 72 HD2 LYS 72 -6.139 -4.438 -3.804 582 HD3 LYS 72 HD1 LYS 72 -5.801 -5.375 -2.348 583 HE2 LYS 72 HE2 LYS 72 -8.154 -6.016 -2.210 584 HE3 LYS 72 HE1 LYS 72 -8.503 -5.069 -3.655 585 HZ1 LYS 72 HZ1 LYS 72 -6.647 -7.383 -3.563 586 HZ2 LYS 72 HZ2 LYS 72 -7.111 -6.525 -4.941 587 HZ3 LYS 72 HZ3 LYS 72 -8.246 -7.456 -4.101 588 H ALA 73 HN ALA 73 -6.120 0.100 -3.780 589 HA ALA 73 HA ALA 73 -4.937 1.839 -1.717 590 HB1 ALA 73 HB1 ALA 73 -4.033 2.364 -3.940 591 HB2 ALA 73 HB2 ALA 73 -5.032 3.685 -3.333 592 HB3 ALA 73 HB3 ALA 73 -5.670 2.586 -4.556 593 H GLN 74 HN GLN 74 -6.602 1.787 -0.278 594 HA GLN 74 HA GLN 74 -9.126 2.992 -1.154 595 HB2 GLN 74 HB2 GLN 74 -8.882 0.363 0.306 596 HB3 GLN 74 HB1 GLN 74 -10.369 1.297 0.256 597 HG2 GLN 74 HG2 GLN 74 -10.381 1.110 -2.194 598 HG3 GLN 74 HG1 GLN 74 -8.918 0.132 -2.111 599 HE21 GLN 74 HE21 GLN 74 -9.043 -1.972 -1.385 600 HE22 GLN 74 HE22 GLN 74 -10.542 -2.806 -1.196 601 H THR 75 HN THR 75 -10.380 3.894 0.535 602 HA THR 75 HA THR 75 -8.980 4.349 3.059 603 HB THR 75 HB THR 75 -10.938 6.252 2.947 604 HG1 THR 75 HG1 THR 75 -10.000 6.864 0.535 605 HG21 THR 75 HG21 THR 75 -9.110 7.816 2.439 606 HG22 THR 75 HG22 THR 75 -8.086 6.459 1.982 607 HG23 THR 75 HG23 THR 75 -8.634 6.626 3.646 608 HA PRO 76 HA PRO 76 -11.979 2.294 5.433 609 HB2 PRO 76 HB2 PRO 76 -12.422 4.067 7.488 610 HB3 PRO 76 HB1 PRO 76 -11.026 2.992 7.371 611 HG2 PRO 76 HG2 PRO 76 -11.261 5.881 6.643 612 HG3 PRO 76 HG1 PRO 76 -9.937 5.035 7.465 613 HD2 PRO 76 HD2 PRO 76 -9.785 5.675 4.871 614 HD3 PRO 76 HD1 PRO 76 -9.102 4.158 5.488 615 H GLN 77 HN GLN 77 -12.821 5.248 3.950 616 HA GLN 77 HA GLN 77 -15.546 5.218 4.942 617 HB2 GLN 77 HB2 GLN 77 -15.690 7.309 4.162 618 HB3 GLN 77 HB1 GLN 77 -13.979 7.175 3.783 619 HG2 GLN 77 HG2 GLN 77 -15.774 6.128 1.724 620 HG3 GLN 77 HG1 GLN 77 -15.878 7.872 1.995 621 HE21 GLN 77 HE21 GLN 77 -13.119 5.888 2.492 622 HE22 GLN 77 HE22 GLN 77 -12.170 6.487 1.186 623 H GLN 78 HN GLN 78 -13.851 3.945 2.163 624 HA GLN 78 HA GLN 78 -16.376 2.970 1.033 625 HB2 GLN 78 HB2 GLN 78 -13.594 2.719 -0.082 626 HB3 GLN 78 HB1 GLN 78 -15.086 2.330 -0.924 627 HG2 GLN 78 HG2 GLN 78 -15.211 4.405 -1.705 628 HG3 GLN 78 HG1 GLN 78 -15.139 5.060 -0.062 629 HE21 GLN 78 HE21 GLN 78 -12.663 3.959 0.598 630 HE22 GLN 78 HE22 GLN 78 -11.457 4.877 -0.231 631 H TRP 79 HN TRP 79 -13.272 2.049 2.306 632 HA TRP 79 HA TRP 79 -13.506 -0.724 2.342 633 HB2 TRP 79 HB2 TRP 79 -11.847 1.276 3.502 634 HB3 TRP 79 HB1 TRP 79 -12.402 0.236 4.814 635 HD1 TRP 79 HD1 TRP 79 -11.175 -0.474 1.226 636 HE1 TRP 79 HE1 TRP 79 -9.463 -2.356 1.350 637 HE3 TRP 79 HE3 TRP 79 -11.154 -1.221 6.273 638 HZ2 TRP 79 HZ2 TRP 79 -8.221 -3.974 3.331 639 HZ3 TRP 79 HZ3 TRP 79 -9.677 -2.959 7.201 640 HH2 TRP 79 HH2 TRP 79 -8.245 -4.297 5.758 641 H LYS 80 HN LYS 80 -14.759 1.833 4.253 642 HA LYS 80 HA LYS 80 -15.996 1.937 6.156 643 HB2 LYS 80 HB2 LYS 80 -18.319 1.043 5.581 644 HB3 LYS 80 HB1 LYS 80 -17.578 2.156 4.451 645 HG2 LYS 80 HG2 LYS 80 -16.908 0.295 3.038 646 HG3 LYS 80 HG1 LYS 80 -17.684 -0.837 4.155 647 HD2 LYS 80 HD2 LYS 80 -19.100 1.391 2.697 648 HD3 LYS 80 HD1 LYS 80 -19.066 -0.289 2.165 649 HE2 LYS 80 HE2 LYS 80 -20.135 -0.953 4.278 650 HE3 LYS 80 HE1 LYS 80 -20.211 0.739 4.756 651 HZ1 LYS 80 HZ1 LYS 80 -21.649 1.191 2.895 652 HZ2 LYS 80 HZ2 LYS 80 -22.306 -0.065 3.818 653 HZ3 LYS 80 HZ3 LYS 80 -21.527 -0.408 2.358 654 HA PRO 81 HA PRO 81 -16.378 -1.699 8.958 655 HB2 PRO 81 HB2 PRO 81 -19.147 -2.411 8.057 656 HB3 PRO 81 HB1 PRO 81 -18.484 -2.346 9.697 657 HG2 PRO 81 HG2 PRO 81 -20.020 -0.377 8.875 658 HG3 PRO 81 HG1 PRO 81 -18.521 0.002 9.747 659 HD2 PRO 81 HD2 PRO 81 -19.086 0.115 6.811 660 HD3 PRO 81 HD1 PRO 81 -18.196 1.277 7.821 661 HA PRO 82 HA PRO 82 -14.468 -4.120 5.896 662 HB2 PRO 82 HB2 PRO 82 -14.348 -6.486 7.457 663 HB3 PRO 82 HB1 PRO 82 -13.094 -5.260 7.266 664 HG2 PRO 82 HG2 PRO 82 -15.081 -5.611 9.442 665 HG3 PRO 82 HG1 PRO 82 -13.446 -4.927 9.505 666 HD2 PRO 82 HD2 PRO 82 -15.618 -3.371 9.649 667 HD3 PRO 82 HD1 PRO 82 -14.159 -2.840 8.783 668 H SER 83 HN SER 83 -15.548 -4.755 4.202 669 HA SER 83 HA SER 83 -16.886 -7.276 4.180 670 HB2 SER 83 HB2 SER 83 -18.697 -5.712 4.983 671 HB3 SER 83 HB1 SER 83 -18.516 -4.812 3.478 672 HG SER 83 HG SER 83 -19.248 -7.550 3.710 673 H GLN 84 HN GLN 84 -14.628 -5.978 3.085 674 HA GLN 84 HA GLN 84 -15.319 -5.459 0.311 675 HB2 GLN 84 HB2 GLN 84 -12.710 -4.783 0.475 676 HB3 GLN 84 HB1 GLN 84 -14.038 -3.703 0.812 677 HG2 GLN 84 HG2 GLN 84 -12.328 -3.474 2.490 678 HG3 GLN 84 HG1 GLN 84 -13.822 -4.085 3.188 679 HE21 GLN 84 HE21 GLN 84 -10.543 -4.849 2.319 680 HE22 GLN 84 HE22 GLN 84 -10.419 -6.281 3.266 681 H ASP 85 HN ASP 85 -12.971 -7.205 2.272 682 HA ASP 85 HA ASP 85 -12.273 -8.865 0.017 683 HB2 ASP 85 HB2 ASP 85 -10.501 -8.101 1.570 684 HB3 ASP 85 HB1 ASP 85 -11.283 -8.993 2.868 685 H SER 86 HN SER 86 -14.389 -8.823 2.584 686 HA SER 86 HA SER 86 -14.717 -11.652 2.931 687 HB2 SER 86 HB2 SER 86 -16.559 -9.420 3.801 688 HB3 SER 86 HB1 SER 86 -16.453 -11.044 4.486 689 HG SER 86 HG SER 86 -15.288 -9.753 5.826 690 H ALA 87 HN ALA 87 -15.866 -9.265 0.788 691 HA ALA 87 HA ALA 87 -17.885 -11.121 -0.258 692 HB1 ALA 87 HB1 ALA 87 -19.054 -9.382 0.961 693 HB2 ALA 87 HB2 ALA 87 -19.334 -9.197 -0.769 694 HB3 ALA 87 HB3 ALA 87 -18.193 -8.138 0.056 695 H THR 88 HN THR 88 -15.053 -10.337 -0.979 696 HA THR 88 HA THR 88 -15.288 -8.733 -3.356 697 HB THR 88 HB THR 88 -13.270 -8.629 -1.907 698 HG1 THR 88 HG1 THR 88 -13.023 -9.336 -4.648 699 HG21 THR 88 HG21 THR 88 -13.089 -11.023 -1.374 700 HG22 THR 88 HG22 THR 88 -11.586 -10.384 -2.038 701 HG23 THR 88 HG23 THR 88 -12.654 -11.354 -3.051 702 H LEU 89 HN LEU 89 -16.049 -11.852 -2.745 703 HA LEU 89 HA LEU 89 -15.549 -12.635 -5.540 704 HB2 LEU 89 HB2 LEU 89 -15.448 -14.443 -3.120 705 HB3 LEU 89 HB1 LEU 89 -15.295 -14.966 -4.785 706 HG LEU 89 HG LEU 89 -13.348 -13.171 -3.335 707 HD11 LEU 89 HD11 LEU 89 -13.128 -16.064 -4.148 708 HD12 LEU 89 HD12 LEU 89 -13.311 -15.461 -2.501 709 HD13 LEU 89 HD13 LEU 89 -11.850 -15.093 -3.418 710 HD21 LEU 89 HD21 LEU 89 -11.924 -13.539 -5.310 711 HD22 LEU 89 HD22 LEU 89 -13.407 -12.674 -5.705 712 HD23 LEU 89 HD23 LEU 89 -13.256 -14.387 -6.094 713 H THR 90 HN THR 90 -17.791 -11.911 -3.228 714 HA THR 90 HA THR 90 -19.750 -13.798 -4.337 715 HB THR 90 HB THR 90 -19.917 -12.493 -1.629 716 HG1 THR 90 HG1 THR 90 -18.816 -15.013 -2.405 717 HG21 THR 90 HG21 THR 90 -21.303 -14.909 -2.802 718 HG22 THR 90 HG22 THR 90 -22.039 -13.331 -2.520 719 HG23 THR 90 HG23 THR 90 -21.497 -14.309 -1.156 720 H LYS 91 HN LYS 91 -18.988 -10.508 -3.918 721 HA LYS 91 HA LYS 91 -21.583 -9.685 -4.936 722 HB2 LYS 91 HB2 LYS 91 -20.471 -8.686 -2.310 723 HB3 LYS 91 HB1 LYS 91 -21.818 -7.947 -3.160 724 HG2 LYS 91 HG2 LYS 91 -23.258 -9.421 -2.336 725 HG3 LYS 91 HG1 LYS 91 -22.227 -10.785 -2.770 726 HD2 LYS 91 HD2 LYS 91 -20.898 -10.433 -0.758 727 HD3 LYS 91 HD1 LYS 91 -21.909 -9.049 -0.321 728 HE2 LYS 91 HE2 LYS 91 -23.866 -10.563 -0.239 729 HE3 LYS 91 HE1 LYS 91 -22.794 -11.922 -0.567 730 HZ1 LYS 91 HZ1 LYS 91 -22.727 -10.152 1.813 731 HZ2 LYS 91 HZ2 LYS 91 -21.594 -11.365 1.490 732 HZ3 LYS 91 HZ3 LYS 91 -23.206 -11.772 1.773 733 H ASP 92 HN ASP 92 -18.517 -9.655 -5.441 734 HA ASP 92 HA ASP 92 -18.032 -6.805 -5.746 735 HB2 ASP 92 HB2 ASP 92 -16.194 -8.312 -5.065 736 HB3 ASP 92 HB1 ASP 92 -16.324 -9.151 -6.607 737 H ALA 93 HN ALA 93 -19.096 -9.472 -7.651 738 HA ALA 93 HA ALA 93 -19.759 -9.717 -9.804 739 HB1 ALA 93 HB1 ALA 93 -20.822 -7.807 -10.881 740 HB2 ALA 93 HB2 ALA 93 -20.105 -6.722 -9.690 741 HB3 ALA 93 HB3 ALA 93 -21.299 -7.918 -9.188 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 20.025 -4.227 -3.434 2 H2 MET 1 HT2 MET 1 19.729 -2.750 -2.668 3 H3 MET 1 HT3 MET 1 18.440 -3.671 -3.245 4 HA MET 1 HA MET 1 18.874 -5.389 -1.656 5 HB2 MET 1 HB2 MET 1 21.144 -3.571 -0.834 6 HB3 MET 1 HB1 MET 1 20.555 -4.893 0.162 7 HG2 MET 1 HG2 MET 1 22.515 -5.600 -1.018 8 HG3 MET 1 HG1 MET 1 21.118 -6.469 -1.644 9 HE1 MET 1 HE1 MET 1 23.410 -6.114 -4.799 10 HE2 MET 1 HE2 MET 1 22.539 -7.228 -3.746 11 HE3 MET 1 HE3 MET 1 23.942 -6.352 -3.133 12 H VAL 2 HN VAL 2 17.391 -5.313 -0.062 13 HA VAL 2 HA VAL 2 16.930 -3.079 1.613 14 HB VAL 2 HB VAL 2 16.090 -2.130 -0.510 15 HG11 VAL 2 HG11 VAL 2 14.055 -3.008 -1.534 16 HG12 VAL 2 HG12 VAL 2 14.070 -4.361 -0.405 17 HG13 VAL 2 HG13 VAL 2 15.368 -4.182 -1.585 18 HG21 VAL 2 HG21 VAL 2 13.916 -2.659 1.512 19 HG22 VAL 2 HG22 VAL 2 13.933 -1.355 0.324 20 HG23 VAL 2 HG23 VAL 2 15.135 -1.390 1.614 21 H THR 3 HN THR 3 15.313 -3.504 3.180 22 HA THR 3 HA THR 3 14.307 -6.271 3.169 23 HB THR 3 HB THR 3 14.116 -6.007 5.635 24 HG1 THR 3 HG1 THR 3 15.799 -3.941 5.940 25 HG21 THR 3 HG21 THR 3 16.095 -7.065 4.665 26 HG22 THR 3 HG22 THR 3 16.515 -6.149 6.113 27 HG23 THR 3 HG23 THR 3 16.870 -5.489 4.516 28 H LYS 4 HN LYS 4 12.204 -6.673 3.930 29 HA LYS 4 HA LYS 4 10.235 -4.697 3.261 30 HB2 LYS 4 HB2 LYS 4 9.873 -7.127 2.876 31 HB3 LYS 4 HB1 LYS 4 9.923 -7.393 4.612 32 HG2 LYS 4 HG2 LYS 4 7.969 -5.796 4.779 33 HG3 LYS 4 HG1 LYS 4 7.848 -5.919 3.024 34 HD2 LYS 4 HD2 LYS 4 6.310 -7.470 4.041 35 HD3 LYS 4 HD1 LYS 4 7.605 -8.371 3.253 36 HE2 LYS 4 HE2 LYS 4 6.999 -9.269 5.479 37 HE3 LYS 4 HE1 LYS 4 8.683 -8.767 5.370 38 HZ1 LYS 4 HZ1 LYS 4 6.641 -6.910 6.419 39 HZ2 LYS 4 HZ2 LYS 4 8.310 -6.941 6.716 40 HZ3 LYS 4 HZ3 LYS 4 7.306 -8.102 7.420 41 H GLU 5 HN GLU 5 12.147 -5.330 5.883 42 HA GLU 5 HA GLU 5 10.226 -4.941 7.971 43 HB2 GLU 5 HB2 GLU 5 13.232 -5.110 7.968 44 HB3 GLU 5 HB1 GLU 5 12.275 -4.930 9.437 45 HG2 GLU 5 HG2 GLU 5 12.139 -7.223 7.489 46 HG3 GLU 5 HG1 GLU 5 12.910 -7.247 9.074 47 H GLN 6 HN GLN 6 12.479 -3.044 6.197 48 HA GLN 6 HA GLN 6 12.044 -0.699 7.819 49 HB2 GLN 6 HB2 GLN 6 13.359 0.471 6.130 50 HB3 GLN 6 HB1 GLN 6 14.186 -0.984 6.658 51 HG2 GLN 6 HG2 GLN 6 14.476 -1.371 4.488 52 HG3 GLN 6 HG1 GLN 6 12.786 -1.878 4.496 53 HE21 GLN 6 HE21 GLN 6 11.199 -0.412 3.723 54 HE22 GLN 6 HE22 GLN 6 11.621 0.923 2.695 55 H VAL 7 HN VAL 7 10.637 -2.288 5.095 56 HA VAL 7 HA VAL 7 9.339 -0.024 3.914 57 HB VAL 7 HB VAL 7 8.724 -2.990 3.739 58 HG11 VAL 7 HG11 VAL 7 7.703 -0.732 2.035 59 HG12 VAL 7 HG12 VAL 7 6.764 -1.657 3.205 60 HG13 VAL 7 HG13 VAL 7 7.407 -2.448 1.766 61 HG21 VAL 7 HG21 VAL 7 9.814 -2.875 1.551 62 HG22 VAL 7 HG22 VAL 7 10.918 -2.419 2.847 63 HG23 VAL 7 HG23 VAL 7 10.194 -1.175 1.829 64 H GLU 8 HN GLU 8 8.630 -2.435 6.228 65 HA GLU 8 HA GLU 8 5.899 -2.109 6.651 66 HB2 GLU 8 HB2 GLU 8 7.946 -3.693 7.475 67 HB3 GLU 8 HB1 GLU 8 7.606 -2.784 8.938 68 HG2 GLU 8 HG2 GLU 8 6.381 -4.902 8.884 69 HG3 GLU 8 HG1 GLU 8 5.311 -3.506 8.946 70 H ALA 9 HN ALA 9 8.732 -0.705 8.235 71 HA ALA 9 HA ALA 9 7.115 0.801 10.089 72 HB1 ALA 9 HB1 ALA 9 10.093 0.855 9.586 73 HB2 ALA 9 HB2 ALA 9 9.267 -0.108 10.811 74 HB3 ALA 9 HB3 ALA 9 9.258 1.652 10.919 75 H SER 10 HN SER 10 8.480 1.141 6.980 76 HA SER 10 HA SER 10 8.670 4.025 7.028 77 HB2 SER 10 HB2 SER 10 9.991 2.684 5.419 78 HB3 SER 10 HB1 SER 10 8.496 2.188 4.624 79 HG SER 10 HG SER 10 9.605 4.015 3.632 80 H LEU 11 HN LEU 11 6.391 1.724 5.613 81 HA LEU 11 HA LEU 11 4.557 3.640 4.665 82 HB2 LEU 11 HB2 LEU 11 4.446 0.704 5.240 83 HB3 LEU 11 HB1 LEU 11 2.971 1.561 4.848 84 HG LEU 11 HG LEU 11 4.015 0.393 2.910 85 HD11 LEU 11 HD11 LEU 11 3.825 3.391 2.704 86 HD12 LEU 11 HD12 LEU 11 2.495 2.242 2.566 87 HD13 LEU 11 HD13 LEU 11 3.771 2.262 1.352 88 HD21 LEU 11 HD21 LEU 11 6.183 2.480 3.196 89 HD22 LEU 11 HD22 LEU 11 5.993 1.367 1.844 90 HD23 LEU 11 HD23 LEU 11 6.382 0.745 3.448 91 H THR 12 HN THR 12 4.718 1.828 7.699 92 HA THR 12 HA THR 12 2.268 2.685 8.767 93 HB THR 12 HB THR 12 4.794 1.929 10.257 94 HG1 THR 12 HG1 THR 12 4.258 0.181 9.041 95 HG21 THR 12 HG21 THR 12 1.910 1.900 11.154 96 HG22 THR 12 HG22 THR 12 3.155 3.016 11.714 97 HG23 THR 12 HG23 THR 12 3.282 1.296 12.081 98 H SER 13 HN SER 13 5.193 4.408 8.299 99 HA SER 13 HA SER 13 4.605 6.373 10.374 100 HB2 SER 13 HB2 SER 13 6.879 6.218 8.389 101 HB3 SER 13 HB1 SER 13 6.742 7.407 9.685 102 HG SER 13 HG SER 13 7.130 4.606 9.889 103 H LYS 14 HN LYS 14 4.849 6.148 6.863 104 HA LYS 14 HA LYS 14 4.294 8.955 6.488 105 HB2 LYS 14 HB2 LYS 14 4.540 6.687 4.503 106 HB3 LYS 14 HB1 LYS 14 4.388 8.384 4.075 107 HG2 LYS 14 HG2 LYS 14 6.512 8.879 5.097 108 HG3 LYS 14 HG1 LYS 14 6.652 7.221 5.682 109 HD2 LYS 14 HD2 LYS 14 6.740 6.392 3.406 110 HD3 LYS 14 HD1 LYS 14 6.494 8.021 2.777 111 HE2 LYS 14 HE2 LYS 14 8.839 7.375 2.650 112 HE3 LYS 14 HE1 LYS 14 8.610 8.728 3.756 113 HZ1 LYS 14 HZ1 LYS 14 8.715 7.172 5.610 114 HZ2 LYS 14 HZ2 LYS 14 10.120 7.100 4.678 115 HZ3 LYS 14 HZ3 LYS 14 8.955 5.880 4.540 116 H LEU 15 HN LEU 15 2.570 5.971 6.532 117 HA LEU 15 HA LEU 15 0.202 7.288 5.364 118 HB2 LEU 15 HB2 LEU 15 1.397 4.622 5.049 119 HB3 LEU 15 HB1 LEU 15 -0.350 4.634 5.228 120 HG LEU 15 HG LEU 15 -0.576 6.098 3.292 121 HD11 LEU 15 HD11 LEU 15 1.370 6.608 1.882 122 HD12 LEU 15 HD12 LEU 15 2.428 5.934 3.123 123 HD13 LEU 15 HD13 LEU 15 1.466 7.374 3.469 124 HD21 LEU 15 HD21 LEU 15 -0.580 3.689 2.961 125 HD22 LEU 15 HD22 LEU 15 1.171 3.705 2.758 126 HD23 LEU 15 HD23 LEU 15 0.140 4.516 1.580 127 H LYS 16 HN LYS 16 1.561 6.090 8.132 128 HA LYS 16 HA LYS 16 0.823 6.024 10.262 129 HB2 LYS 16 HB2 LYS 16 -1.915 6.689 9.154 130 HB3 LYS 16 HB1 LYS 16 -1.457 6.730 10.850 131 HG2 LYS 16 HG2 LYS 16 0.081 8.546 10.435 132 HG3 LYS 16 HG1 LYS 16 -0.239 8.458 8.704 133 HD2 LYS 16 HD2 LYS 16 -1.607 10.204 9.315 134 HD3 LYS 16 HD1 LYS 16 -2.720 8.844 9.441 135 HE2 LYS 16 HE2 LYS 16 -1.192 10.067 11.737 136 HE3 LYS 16 HE1 LYS 16 -2.879 10.392 11.353 137 HZ1 LYS 16 HZ1 LYS 16 -1.720 7.794 12.195 138 HZ2 LYS 16 HZ2 LYS 16 -3.322 8.005 11.702 139 HZ3 LYS 16 HZ3 LYS 16 -2.758 8.782 13.093 140 HA PRO 17 HA PRO 17 -0.302 1.806 10.648 141 HB2 PRO 17 HB2 PRO 17 -1.075 1.676 13.252 142 HB3 PRO 17 HB1 PRO 17 0.608 1.854 12.746 143 HG2 PRO 17 HG2 PRO 17 -1.314 3.937 13.700 144 HG3 PRO 17 HG1 PRO 17 0.402 3.729 14.100 145 HD2 PRO 17 HD2 PRO 17 -0.466 5.550 12.294 146 HD3 PRO 17 HD1 PRO 17 1.106 4.742 12.156 147 H ILE 18 HN ILE 18 -2.283 2.674 9.209 148 HA ILE 18 HA ILE 18 -4.790 2.096 10.594 149 HB ILE 18 HB ILE 18 -4.420 2.711 7.671 150 HG12 ILE 18 HG12 ILE 18 -5.061 4.717 9.835 151 HG13 ILE 18 HG11 ILE 18 -3.418 4.420 9.277 152 HG21 ILE 18 HG21 ILE 18 -6.775 3.018 9.542 153 HG22 ILE 18 HG22 ILE 18 -6.593 1.781 8.298 154 HG23 ILE 18 HG23 ILE 18 -6.753 3.476 7.840 155 HD11 ILE 18 HD11 ILE 18 -5.696 5.349 7.552 156 HD12 ILE 18 HD12 ILE 18 -4.021 5.110 7.052 157 HD13 ILE 18 HD13 ILE 18 -4.422 6.371 8.216 158 H HIS 19 HN HIS 19 -3.929 1.157 7.291 159 HA HIS 19 HA HIS 19 -3.828 -1.661 8.083 160 HB2 HIS 19 HB2 HIS 19 -6.173 -1.233 7.401 161 HB3 HIS 19 HB1 HIS 19 -5.602 -0.594 5.871 162 HD1 HIS 19 HD1 HIS 19 -6.468 -3.738 7.586 163 HD2 HIS 19 HD2 HIS 19 -4.606 -2.577 4.053 164 HE1 HIS 19 HE1 HIS 19 -6.480 -5.770 6.106 165 HE2 HIS 19 HE2 HIS 19 -5.212 -5.095 4.041 166 H LEU 20 HN LEU 20 -1.712 -1.835 7.581 167 HA LEU 20 HA LEU 20 -1.006 -1.462 4.762 168 HB2 LEU 20 HB2 LEU 20 1.039 -0.843 6.842 169 HB3 LEU 20 HB1 LEU 20 0.928 -0.271 5.190 170 HG LEU 20 HG LEU 20 -1.215 0.974 6.149 171 HD11 LEU 20 HD11 LEU 20 -0.824 1.758 8.420 172 HD12 LEU 20 HD12 LEU 20 0.586 0.709 8.549 173 HD13 LEU 20 HD13 LEU 20 -1.023 0.006 8.380 174 HD21 LEU 20 HD21 LEU 20 0.688 2.036 5.067 175 HD22 LEU 20 HD22 LEU 20 1.620 1.906 6.559 176 HD23 LEU 20 HD23 LEU 20 0.188 2.936 6.499 177 H GLU 21 HN GLU 21 -0.312 -3.370 4.014 178 HA GLU 21 HA GLU 21 1.497 -4.954 5.563 179 HB2 GLU 21 HB2 GLU 21 0.129 -7.001 5.362 180 HB3 GLU 21 HB1 GLU 21 -0.601 -5.766 6.371 181 HG2 GLU 21 HG2 GLU 21 -2.046 -5.126 4.464 182 HG3 GLU 21 HG1 GLU 21 -1.396 -6.505 3.575 183 H VAL 22 HN VAL 22 3.040 -4.957 4.167 184 HA VAL 22 HA VAL 22 2.484 -5.416 1.334 185 HB VAL 22 HB VAL 22 5.232 -4.909 2.302 186 HG11 VAL 22 HG11 VAL 22 4.864 -5.248 -0.035 187 HG12 VAL 22 HG12 VAL 22 5.397 -3.594 0.270 188 HG13 VAL 22 HG13 VAL 22 3.698 -3.928 -0.063 189 HG21 VAL 22 HG21 VAL 22 3.047 -2.859 2.363 190 HG22 VAL 22 HG22 VAL 22 4.753 -2.423 2.232 191 HG23 VAL 22 HG23 VAL 22 4.171 -3.294 3.651 192 H ILE 23 HN ILE 23 3.234 -7.181 0.266 193 HA ILE 23 HA ILE 23 4.228 -9.334 1.970 194 HB ILE 23 HB ILE 23 2.655 -9.581 -0.585 195 HG12 ILE 23 HG12 ILE 23 1.003 -10.686 1.155 196 HG13 ILE 23 HG11 ILE 23 1.856 -9.659 2.297 197 HG21 ILE 23 HG21 ILE 23 4.183 -11.433 -0.272 198 HG22 ILE 23 HG22 ILE 23 2.522 -11.971 -0.022 199 HG23 ILE 23 HG23 ILE 23 3.575 -11.685 1.363 200 HD11 ILE 23 HD11 ILE 23 -0.179 -8.604 1.523 201 HD12 ILE 23 HD12 ILE 23 0.374 -8.726 -0.148 202 HD13 ILE 23 HD13 ILE 23 1.237 -7.694 0.993 203 H ASP 24 HN ASP 24 6.294 -9.031 1.705 204 HA ASP 24 HA ASP 24 7.732 -8.662 -0.666 205 HB2 ASP 24 HB2 ASP 24 8.843 -8.295 1.429 206 HB3 ASP 24 HB1 ASP 24 8.548 -9.952 1.939 207 H ILE 25 HN ILE 25 7.816 -9.921 -2.341 208 HA ILE 25 HA ILE 25 7.288 -12.780 -2.069 209 HB ILE 25 HB ILE 25 7.604 -11.126 -4.579 210 HG12 ILE 25 HG12 ILE 25 5.016 -11.994 -3.294 211 HG13 ILE 25 HG11 ILE 25 5.735 -10.409 -3.022 212 HG21 ILE 25 HG21 ILE 25 6.397 -12.971 -5.659 213 HG22 ILE 25 HG22 ILE 25 6.382 -13.848 -4.130 214 HG23 ILE 25 HG23 ILE 25 7.912 -13.515 -4.940 215 HD11 ILE 25 HD11 ILE 25 3.999 -10.336 -4.723 216 HD12 ILE 25 HD12 ILE 25 4.889 -11.515 -5.687 217 HD13 ILE 25 HD13 ILE 25 5.577 -9.918 -5.390 218 H SER 26 HN SER 26 9.935 -10.651 -2.317 219 HA SER 26 HA SER 26 11.640 -12.792 -3.379 220 HB2 SER 26 HB2 SER 26 12.812 -10.892 -4.693 221 HB3 SER 26 HB1 SER 26 11.295 -11.542 -5.319 222 HG SER 26 HG SER 26 10.254 -9.757 -4.715 223 H GLY 27 HN GLY 27 12.557 -9.428 -2.833 224 HA2 GLY 27 HA2 GLY 27 13.571 -9.514 -0.288 225 HA3 GLY 27 HA1 GLY 27 14.813 -10.253 -1.285 226 H GLY 28 HN GLY 28 16.255 -8.954 -2.226 227 HA2 GLY 28 HA2 GLY 28 15.691 -6.055 -2.130 228 HA3 GLY 28 HA1 GLY 28 17.268 -6.748 -1.804 229 H CYS 29 HN CYS 29 17.416 -8.557 -3.946 230 HA CYS 29 HA CYS 29 17.916 -6.677 -6.125 231 HB2 CYS 29 HB2 CYS 29 19.720 -8.227 -5.406 232 HB3 CYS 29 HB1 CYS 29 18.700 -9.591 -5.845 233 HG CYS 29 HG CYS 29 18.697 -9.033 -8.570 234 H GLY 30 HN GLY 30 16.017 -9.435 -5.263 235 HA2 GLY 30 HA2 GLY 30 14.720 -9.657 -7.839 236 HA3 GLY 30 HA1 GLY 30 14.338 -10.574 -6.381 237 H SER 31 HN SER 31 14.641 -7.714 -5.209 238 HA SER 31 HA SER 31 12.441 -7.508 -3.880 239 HB2 SER 31 HB2 SER 31 14.148 -5.879 -3.613 240 HB3 SER 31 HB1 SER 31 13.888 -5.236 -5.229 241 HG SER 31 HG SER 31 12.269 -4.981 -2.934 242 H SER 32 HN SER 32 10.514 -7.872 -4.334 243 HA SER 32 HA SER 32 9.026 -5.993 -5.973 244 HB2 SER 32 HB2 SER 32 7.659 -8.078 -6.792 245 HB3 SER 32 HB1 SER 32 9.150 -7.645 -7.622 246 HG SER 32 HG SER 32 10.168 -9.330 -6.744 247 H PHE 33 HN PHE 33 7.739 -5.148 -4.495 248 HA PHE 33 HA PHE 33 6.672 -6.896 -2.379 249 HB2 PHE 33 HB2 PHE 33 7.082 -3.898 -2.395 250 HB3 PHE 33 HB1 PHE 33 6.421 -4.827 -1.058 251 HD1 PHE 33 HD2 PHE 33 7.894 -6.601 -0.001 252 HD2 PHE 33 HD1 PHE 33 9.378 -3.592 -2.608 253 HE1 PHE 33 HE2 PHE 33 10.161 -6.967 0.868 254 HE2 PHE 33 HE1 PHE 33 11.644 -3.955 -1.737 255 HZ PHE 33 HZ PHE 33 12.038 -5.645 -0.000 256 H GLU 34 HN GLU 34 4.456 -6.881 -1.934 257 HA GLU 34 HA GLU 34 2.851 -5.034 -3.571 258 HB2 GLU 34 HB2 GLU 34 2.019 -7.811 -2.725 259 HB3 GLU 34 HB1 GLU 34 1.093 -6.692 -3.714 260 HG2 GLU 34 HG2 GLU 34 3.170 -6.794 -5.278 261 HG3 GLU 34 HG1 GLU 34 3.493 -8.301 -4.424 262 H VAL 35 HN VAL 35 2.295 -3.499 -2.209 263 HA VAL 35 HA VAL 35 1.545 -4.067 0.527 264 HB VAL 35 HB VAL 35 2.947 -2.131 0.115 265 HG11 VAL 35 HG11 VAL 35 2.198 -0.200 -1.125 266 HG12 VAL 35 HG12 VAL 35 0.661 -0.985 -1.478 267 HG13 VAL 35 HG13 VAL 35 2.153 -1.622 -2.170 268 HG21 VAL 35 HG21 VAL 35 1.365 -2.056 1.990 269 HG22 VAL 35 HG22 VAL 35 0.183 -1.274 0.943 270 HG23 VAL 35 HG23 VAL 35 1.694 -0.454 1.333 271 H GLU 36 HN GLU 36 -0.432 -4.105 1.354 272 HA GLU 36 HA GLU 36 -2.679 -3.085 -0.253 273 HB2 GLU 36 HB2 GLU 36 -2.907 -5.472 0.244 274 HB3 GLU 36 HB1 GLU 36 -2.622 -5.168 1.950 275 HG2 GLU 36 HG2 GLU 36 -4.709 -3.911 2.079 276 HG3 GLU 36 HG1 GLU 36 -4.995 -4.206 0.369 277 H VAL 37 HN VAL 37 -3.082 -1.031 0.417 278 HA VAL 37 HA VAL 37 -2.783 -0.479 3.269 279 HB VAL 37 HB VAL 37 -2.447 1.929 2.250 280 HG11 VAL 37 HG11 VAL 37 -0.923 0.915 3.809 281 HG12 VAL 37 HG12 VAL 37 0.001 1.566 2.455 282 HG13 VAL 37 HG13 VAL 37 -0.314 -0.165 2.558 283 HG21 VAL 37 HG21 VAL 37 -2.646 1.285 -0.032 284 HG22 VAL 37 HG22 VAL 37 -1.333 0.122 0.152 285 HG23 VAL 37 HG23 VAL 37 -1.007 1.851 0.290 286 H VAL 38 HN VAL 38 -3.984 1.015 4.161 287 HA VAL 38 HA VAL 38 -6.256 2.180 2.731 288 HB VAL 38 HB VAL 38 -6.415 0.967 5.507 289 HG11 VAL 38 HG11 VAL 38 -7.778 2.952 5.318 290 HG12 VAL 38 HG12 VAL 38 -8.796 1.514 5.396 291 HG13 VAL 38 HG13 VAL 38 -8.528 2.322 3.852 292 HG21 VAL 38 HG21 VAL 38 -7.702 0.071 2.932 293 HG22 VAL 38 HG22 VAL 38 -7.998 -0.625 4.525 294 HG23 VAL 38 HG23 VAL 38 -6.401 -0.758 3.788 295 H SER 39 HN SER 39 -5.510 4.233 2.705 296 HA SER 39 HA SER 39 -4.902 5.507 5.246 297 HB2 SER 39 HB2 SER 39 -2.750 4.619 4.302 298 HB3 SER 39 HB1 SER 39 -2.993 5.680 2.914 299 HG SER 39 HG SER 39 -2.299 6.295 5.548 300 H GLU 40 HN GLU 40 -4.665 7.863 4.998 301 HA GLU 40 HA GLU 40 -7.075 8.790 3.869 302 HB2 GLU 40 HB2 GLU 40 -6.327 10.996 4.732 303 HB3 GLU 40 HB1 GLU 40 -6.242 9.700 5.915 304 HG2 GLU 40 HG2 GLU 40 -3.880 9.523 5.670 305 HG3 GLU 40 HG1 GLU 40 -3.890 10.645 4.311 306 H GLN 41 HN GLN 41 -4.433 8.105 2.168 307 HA GLN 41 HA GLN 41 -4.397 10.538 0.520 308 HB2 GLN 41 HB2 GLN 41 -2.979 8.243 -0.606 309 HB3 GLN 41 HB1 GLN 41 -2.378 9.858 -0.259 310 HG2 GLN 41 HG2 GLN 41 -2.646 7.612 1.720 311 HG3 GLN 41 HG1 GLN 41 -1.152 8.155 0.959 312 HE21 GLN 41 HE21 GLN 41 -2.200 8.047 3.761 313 HE22 GLN 41 HE22 GLN 41 -1.909 9.637 4.380 314 H PHE 42 HN PHE 42 -6.173 7.922 0.929 315 HA PHE 42 HA PHE 42 -6.889 7.619 -1.900 316 HB2 PHE 42 HB2 PHE 42 -7.271 5.711 0.411 317 HB3 PHE 42 HB1 PHE 42 -7.597 5.358 -1.289 318 HD1 PHE 42 HD1 PHE 42 -5.067 6.729 -2.361 319 HD2 PHE 42 HD2 PHE 42 -5.731 3.984 0.824 320 HE1 PHE 42 HE1 PHE 42 -2.757 5.914 -2.587 321 HE2 PHE 42 HE2 PHE 42 -3.429 3.170 0.609 322 HZ PHE 42 HZ PHE 42 -1.941 4.134 -1.090 323 H GLU 43 HN GLU 43 -7.742 9.475 0.400 324 HA GLU 43 HA GLU 43 -10.394 8.513 1.109 325 HB2 GLU 43 HB2 GLU 43 -8.800 9.679 2.694 326 HB3 GLU 43 HB1 GLU 43 -9.166 11.166 1.834 327 HG2 GLU 43 HG2 GLU 43 -11.447 11.082 2.485 328 HG3 GLU 43 HG1 GLU 43 -11.259 9.452 3.134 329 H GLY 44 HN GLY 44 -12.042 8.764 -0.222 330 HA2 GLY 44 HA2 GLY 44 -13.527 9.699 -1.701 331 HA3 GLY 44 HA1 GLY 44 -12.954 11.266 -1.145 332 H LYS 45 HN LYS 45 -10.768 8.966 -2.456 333 HA LYS 45 HA LYS 45 -10.091 10.885 -4.525 334 HB2 LYS 45 HB2 LYS 45 -8.624 8.755 -3.005 335 HB3 LYS 45 HB1 LYS 45 -7.938 9.537 -4.395 336 HG2 LYS 45 HG2 LYS 45 -8.830 10.907 -1.876 337 HG3 LYS 45 HG1 LYS 45 -7.157 10.534 -2.304 338 HD2 LYS 45 HD2 LYS 45 -7.276 12.022 -4.211 339 HD3 LYS 45 HD1 LYS 45 -8.986 12.327 -3.902 340 HE2 LYS 45 HE2 LYS 45 -6.762 12.991 -1.980 341 HE3 LYS 45 HE1 LYS 45 -7.477 14.139 -3.110 342 HZ1 LYS 45 HZ1 LYS 45 -9.589 13.899 -2.021 343 HZ2 LYS 45 HZ2 LYS 45 -8.421 14.272 -0.857 344 HZ3 LYS 45 HZ3 LYS 45 -8.989 12.687 -1.003 345 H ARG 46 HN ARG 46 -9.418 10.118 -6.584 346 HA ARG 46 HA ARG 46 -10.701 7.644 -7.431 347 HB2 ARG 46 HB2 ARG 46 -9.249 9.747 -9.053 348 HB3 ARG 46 HB1 ARG 46 -10.172 8.401 -9.702 349 HG2 ARG 46 HG2 ARG 46 -12.212 9.301 -8.803 350 HG3 ARG 46 HG1 ARG 46 -11.324 10.594 -8.002 351 HD2 ARG 46 HD2 ARG 46 -11.601 10.159 -10.970 352 HD3 ARG 46 HD1 ARG 46 -12.352 11.435 -10.019 353 HE ARG 46 HE ARG 46 -9.489 11.218 -10.663 354 HH11 ARG 46 HH11 ARG 46 -12.181 13.082 -9.417 355 HH12 ARG 46 HH12 ARG 46 -11.346 14.598 -9.526 356 HH21 ARG 46 HH21 ARG 46 -8.381 13.221 -10.788 357 HH22 ARG 46 HH22 ARG 46 -9.193 14.676 -10.313 358 H LEU 47 HN LEU 47 -9.594 5.930 -8.258 359 HA LEU 47 HA LEU 47 -7.461 4.909 -7.028 360 HB2 LEU 47 HB2 LEU 47 -7.313 3.254 -8.685 361 HB3 LEU 47 HB1 LEU 47 -8.965 3.812 -8.693 362 HG LEU 47 HG LEU 47 -6.965 4.808 -10.696 363 HD11 LEU 47 HD11 LEU 47 -7.077 2.384 -10.894 364 HD12 LEU 47 HD12 LEU 47 -7.893 3.157 -12.252 365 HD13 LEU 47 HD13 LEU 47 -8.838 2.455 -10.940 366 HD21 LEU 47 HD21 LEU 47 -9.983 4.702 -10.705 367 HD22 LEU 47 HD22 LEU 47 -8.961 5.359 -11.982 368 HD23 LEU 47 HD23 LEU 47 -9.006 6.140 -10.401 369 H LEU 48 HN LEU 48 -7.230 6.742 -9.955 370 HA LEU 48 HA LEU 48 -4.474 6.472 -10.435 371 HB2 LEU 48 HB2 LEU 48 -6.345 8.704 -11.233 372 HB3 LEU 48 HB1 LEU 48 -4.734 8.472 -11.881 373 HG LEU 48 HG LEU 48 -7.001 6.500 -12.176 374 HD11 LEU 48 HD11 LEU 48 -7.448 8.553 -13.404 375 HD12 LEU 48 HD12 LEU 48 -7.069 7.229 -14.505 376 HD13 LEU 48 HD13 LEU 48 -5.857 8.462 -14.157 377 HD21 LEU 48 HD21 LEU 48 -4.252 6.604 -13.410 378 HD22 LEU 48 HD22 LEU 48 -5.525 5.463 -13.842 379 HD23 LEU 48 HD23 LEU 48 -4.826 5.432 -12.223 380 H GLU 49 HN GLU 49 -6.286 9.132 -8.975 381 HA GLU 49 HA GLU 49 -4.073 10.685 -8.172 382 HB2 GLU 49 HB2 GLU 49 -6.575 10.663 -6.539 383 HB3 GLU 49 HB1 GLU 49 -5.616 12.028 -7.088 384 HG2 GLU 49 HG2 GLU 49 -7.411 10.358 -8.824 385 HG3 GLU 49 HG1 GLU 49 -7.833 11.927 -8.134 386 H ARG 50 HN ARG 50 -5.897 8.095 -6.781 387 HA ARG 50 HA ARG 50 -4.990 8.054 -4.160 388 HB2 ARG 50 HB2 ARG 50 -5.889 5.914 -6.084 389 HB3 ARG 50 HB1 ARG 50 -5.414 5.511 -4.424 390 HG2 ARG 50 HG2 ARG 50 -7.147 7.176 -3.667 391 HG3 ARG 50 HG1 ARG 50 -7.687 7.251 -5.342 392 HD2 ARG 50 HD2 ARG 50 -7.928 4.719 -5.209 393 HD3 ARG 50 HD1 ARG 50 -7.736 4.900 -3.466 394 HE ARG 50 HE ARG 50 -9.740 6.644 -4.472 395 HH11 ARG 50 HH11 ARG 50 -9.181 3.296 -3.562 396 HH12 ARG 50 HH12 ARG 50 -10.869 2.984 -3.279 397 HH21 ARG 50 HH21 ARG 50 -11.914 6.219 -4.102 398 HH22 ARG 50 HH22 ARG 50 -12.423 4.640 -3.598 399 H HIS 51 HN HIS 51 -3.701 6.349 -6.994 400 HA HIS 51 HA HIS 51 -1.528 5.232 -5.499 401 HB2 HIS 51 HB2 HIS 51 -1.948 5.404 -8.493 402 HB3 HIS 51 HB1 HIS 51 -0.673 4.477 -7.714 403 HD1 HIS 51 HD1 HIS 51 -3.306 3.537 -9.497 404 HD2 HIS 51 HD2 HIS 51 -2.539 2.950 -5.467 405 HE1 HIS 51 HE1 HIS 51 -4.679 1.558 -8.804 406 HE2 HIS 51 HE2 HIS 51 -4.095 1.133 -6.412 407 H ARG 52 HN ARG 52 -1.929 7.941 -7.676 408 HA ARG 52 HA ARG 52 0.806 8.596 -7.928 409 HB2 ARG 52 HB2 ARG 52 -1.016 9.364 -9.443 410 HB3 ARG 52 HB1 ARG 52 -1.593 10.418 -8.160 411 HG2 ARG 52 HG2 ARG 52 0.607 11.571 -8.199 412 HG3 ARG 52 HG1 ARG 52 1.045 10.588 -9.598 413 HD2 ARG 52 HD2 ARG 52 0.230 12.728 -10.351 414 HD3 ARG 52 HD1 ARG 52 -0.927 11.475 -10.791 415 HE ARG 52 HE ARG 52 -1.259 13.359 -8.544 416 HH11 ARG 52 HH11 ARG 52 -2.611 11.239 -10.992 417 HH12 ARG 52 HH12 ARG 52 -4.255 11.703 -10.666 418 HH21 ARG 52 HH21 ARG 52 -3.412 13.974 -8.125 419 HH22 ARG 52 HH22 ARG 52 -4.706 13.279 -9.054 420 H MET 53 HN MET 53 -1.359 8.920 -5.317 421 HA MET 53 HA MET 53 0.001 11.309 -4.319 422 HB2 MET 53 HB2 MET 53 -2.586 10.787 -4.250 423 HB3 MET 53 HB1 MET 53 -2.163 9.882 -2.807 424 HG2 MET 53 HG2 MET 53 -1.526 12.791 -3.220 425 HG3 MET 53 HG1 MET 53 -2.961 12.199 -2.391 426 HE1 MET 53 HE1 MET 53 -2.403 13.633 -0.267 427 HE2 MET 53 HE2 MET 53 -0.978 14.276 -1.082 428 HE3 MET 53 HE3 MET 53 -0.838 13.621 0.548 429 H VAL 54 HN VAL 54 -0.550 7.939 -3.577 430 HA VAL 54 HA VAL 54 0.871 7.938 -1.119 431 HB VAL 54 HB VAL 54 -0.767 6.208 -2.392 432 HG11 VAL 54 HG11 VAL 54 1.919 4.876 -2.477 433 HG12 VAL 54 HG12 VAL 54 0.970 5.375 -3.878 434 HG13 VAL 54 HG13 VAL 54 0.364 4.113 -2.804 435 HG21 VAL 54 HG21 VAL 54 1.097 5.746 -0.090 436 HG22 VAL 54 HG22 VAL 54 -0.197 4.628 -0.513 437 HG23 VAL 54 HG23 VAL 54 -0.582 6.281 -0.034 438 H ASN 55 HN ASN 55 1.674 7.221 -4.454 439 HA ASN 55 HA ASN 55 4.306 6.320 -3.792 440 HB2 ASN 55 HB2 ASN 55 4.637 5.870 -6.009 441 HB3 ASN 55 HB1 ASN 55 2.887 5.735 -5.922 442 HD21 ASN 55 HD21 ASN 55 2.338 8.490 -5.803 443 HD22 ASN 55 HD22 ASN 55 2.817 9.237 -7.287 444 H ALA 56 HN ALA 56 2.839 9.329 -4.159 445 HA ALA 56 HA ALA 56 5.091 10.847 -4.956 446 HB1 ALA 56 HB1 ALA 56 2.835 11.814 -4.860 447 HB2 ALA 56 HB2 ALA 56 3.980 12.757 -3.908 448 HB3 ALA 56 HB3 ALA 56 2.850 11.670 -3.102 449 H ALA 57 HN ALA 57 3.907 9.699 -1.874 450 HA ALA 57 HA ALA 57 6.200 10.749 -0.415 451 HB1 ALA 57 HB1 ALA 57 4.021 10.952 0.621 452 HB2 ALA 57 HB2 ALA 57 5.003 9.821 1.554 453 HB3 ALA 57 HB3 ALA 57 3.754 9.215 0.463 454 H LEU 58 HN LEU 58 5.763 8.253 -2.366 455 HA LEU 58 HA LEU 58 7.321 6.354 -0.758 456 HB2 LEU 58 HB2 LEU 58 4.659 6.025 -1.379 457 HB3 LEU 58 HB1 LEU 58 5.453 5.181 -2.693 458 HG LEU 58 HG LEU 58 6.637 3.762 -1.069 459 HD11 LEU 58 HD11 LEU 58 6.742 5.277 0.815 460 HD12 LEU 58 HD12 LEU 58 5.911 3.796 1.286 461 HD13 LEU 58 HD13 LEU 58 4.985 5.261 0.961 462 HD21 LEU 58 HD21 LEU 58 3.651 3.814 -0.658 463 HD22 LEU 58 HD22 LEU 58 4.725 2.435 -0.422 464 HD23 LEU 58 HD23 LEU 58 4.476 3.090 -2.039 465 H GLU 59 HN GLU 59 7.370 8.343 -3.219 466 HA GLU 59 HA GLU 59 8.269 6.719 -5.392 467 HB2 GLU 59 HB2 GLU 59 7.355 8.922 -5.862 468 HB3 GLU 59 HB1 GLU 59 8.561 9.679 -4.808 469 HG2 GLU 59 HG2 GLU 59 9.136 10.040 -7.120 470 HG3 GLU 59 HG1 GLU 59 10.340 9.010 -6.351 471 H GLU 60 HN GLU 60 9.706 8.337 -2.699 472 HA GLU 60 HA GLU 60 12.443 7.984 -3.436 473 HB2 GLU 60 HB2 GLU 60 11.631 8.203 -0.580 474 HB3 GLU 60 HB1 GLU 60 12.877 9.082 -1.458 475 HG2 GLU 60 HG2 GLU 60 11.120 10.425 -2.549 476 HG3 GLU 60 HG1 GLU 60 9.897 9.584 -1.583 477 H GLU 61 HN GLU 61 10.000 6.320 -1.667 478 HA GLU 61 HA GLU 61 11.578 4.283 -0.503 479 HB2 GLU 61 HB2 GLU 61 9.195 5.163 0.053 480 HB3 GLU 61 HB1 GLU 61 8.671 4.031 -1.184 481 HG2 GLU 61 HG2 GLU 61 8.478 3.065 1.037 482 HG3 GLU 61 HG1 GLU 61 9.634 2.179 0.044 483 H MET 62 HN MET 62 9.732 4.630 -3.471 484 HA MET 62 HA MET 62 9.917 1.961 -4.353 485 HB2 MET 62 HB2 MET 62 8.312 3.657 -5.224 486 HB3 MET 62 HB1 MET 62 9.651 4.465 -6.027 487 HG2 MET 62 HG2 MET 62 10.050 2.494 -7.386 488 HG3 MET 62 HG1 MET 62 8.746 1.644 -6.560 489 HE1 MET 62 HE1 MET 62 6.565 3.989 -6.261 490 HE2 MET 62 HE2 MET 62 6.192 2.333 -6.738 491 HE3 MET 62 HE3 MET 62 5.599 3.684 -7.706 492 H LYS 63 HN LYS 63 12.071 4.691 -4.530 493 HA LYS 63 HA LYS 63 13.853 3.422 -6.414 494 HB2 LYS 63 HB2 LYS 63 14.356 5.838 -4.672 495 HB3 LYS 63 HB1 LYS 63 15.299 5.338 -6.069 496 HG2 LYS 63 HG2 LYS 63 13.248 5.667 -7.461 497 HG3 LYS 63 HG1 LYS 63 12.481 6.380 -6.041 498 HD2 LYS 63 HD2 LYS 63 14.368 8.016 -5.947 499 HD3 LYS 63 HD1 LYS 63 14.935 7.367 -7.486 500 HE2 LYS 63 HE2 LYS 63 12.361 8.813 -6.912 501 HE3 LYS 63 HE1 LYS 63 13.666 9.301 -7.993 502 HZ1 LYS 63 HZ1 LYS 63 11.670 7.152 -8.374 503 HZ2 LYS 63 HZ2 LYS 63 13.107 7.189 -9.268 504 HZ3 LYS 63 HZ3 LYS 63 12.008 8.471 -9.381 505 H GLU 64 HN GLU 64 13.239 3.085 -3.144 506 HA GLU 64 HA GLU 64 15.960 2.396 -2.384 507 HB2 GLU 64 HB2 GLU 64 14.384 3.503 -0.786 508 HB3 GLU 64 HB1 GLU 64 13.383 2.060 -0.834 509 HG2 GLU 64 HG2 GLU 64 14.691 1.986 1.147 510 HG3 GLU 64 HG1 GLU 64 15.314 0.764 0.040 511 H ILE 65 HN ILE 65 13.027 0.959 -3.412 512 HA ILE 65 HA ILE 65 14.179 -1.735 -3.160 513 HB ILE 65 HB ILE 65 11.980 -2.647 -3.234 514 HG12 ILE 65 HG12 ILE 65 11.367 -0.226 -4.609 515 HG13 ILE 65 HG11 ILE 65 10.386 -1.676 -4.460 516 HG21 ILE 65 HG21 ILE 65 10.893 -1.577 -1.280 517 HG22 ILE 65 HG22 ILE 65 12.029 -0.236 -1.423 518 HG23 ILE 65 HG23 ILE 65 12.617 -1.854 -1.050 519 HD11 ILE 65 HD11 ILE 65 9.139 0.244 -3.731 520 HD12 ILE 65 HD12 ILE 65 10.401 0.665 -2.573 521 HD13 ILE 65 HD13 ILE 65 9.463 -0.812 -2.358 522 H HIS 66 HN HIS 66 12.689 -3.036 -5.074 523 HA HIS 66 HA HIS 66 13.632 -1.710 -7.530 524 HB2 HIS 66 HB2 HIS 66 14.666 -3.920 -6.977 525 HB3 HIS 66 HB1 HIS 66 13.074 -4.656 -7.157 526 HD1 HIS 66 HD1 HIS 66 14.648 -2.047 -9.398 527 HD2 HIS 66 HD2 HIS 66 13.362 -5.983 -9.534 528 HE1 HIS 66 HE1 HIS 66 14.798 -2.739 -11.790 529 HE2 HIS 66 HE2 HIS 66 14.006 -5.112 -11.866 530 H ALA 67 HN ALA 67 10.837 -2.645 -5.841 531 HA ALA 67 HA ALA 67 9.077 -1.712 -7.826 532 HB1 ALA 67 HB1 ALA 67 9.131 -4.712 -7.535 533 HB2 ALA 67 HB2 ALA 67 9.637 -3.805 -8.958 534 HB3 ALA 67 HB3 ALA 67 7.948 -3.781 -8.454 535 H LEU 68 HN LEU 68 7.354 -0.998 -6.795 536 HA LEU 68 HA LEU 68 6.396 -2.470 -4.441 537 HB2 LEU 68 HB2 LEU 68 7.321 0.195 -4.490 538 HB3 LEU 68 HB1 LEU 68 5.574 0.281 -4.372 539 HG LEU 68 HG LEU 68 7.367 -1.248 -2.483 540 HD11 LEU 68 HD11 LEU 68 7.608 1.165 -2.238 541 HD12 LEU 68 HD12 LEU 68 6.760 0.466 -0.858 542 HD13 LEU 68 HD13 LEU 68 5.858 1.332 -2.101 543 HD21 LEU 68 HD21 LEU 68 5.332 -1.506 -1.136 544 HD22 LEU 68 HD22 LEU 68 5.186 -2.295 -2.707 545 HD23 LEU 68 HD23 LEU 68 4.394 -0.746 -2.422 546 H SER 69 HN SER 69 4.606 -3.380 -4.928 547 HA SER 69 HA SER 69 2.810 -2.188 -6.898 548 HB2 SER 69 HB2 SER 69 3.383 -4.352 -7.589 549 HB3 SER 69 HB1 SER 69 3.352 -4.982 -5.945 550 HG SER 69 HG SER 69 1.424 -5.594 -6.376 551 H ILE 70 HN ILE 70 1.443 -0.867 -5.834 552 HA ILE 70 HA ILE 70 0.316 -1.643 -3.297 553 HB ILE 70 HB ILE 70 0.864 0.670 -3.460 554 HG12 ILE 70 HG12 ILE 70 -2.136 0.448 -3.747 555 HG13 ILE 70 HG11 ILE 70 -1.234 0.116 -2.272 556 HG21 ILE 70 HG21 ILE 70 -0.150 2.184 -5.125 557 HG22 ILE 70 HG22 ILE 70 -0.812 0.776 -5.954 558 HG23 ILE 70 HG23 ILE 70 0.934 0.987 -5.829 559 HD11 ILE 70 HD11 ILE 70 -0.502 2.414 -2.177 560 HD12 ILE 70 HD12 ILE 70 -2.261 2.331 -2.270 561 HD13 ILE 70 HD13 ILE 70 -1.321 2.760 -3.699 562 H LYS 71 HN LYS 71 -0.803 -3.410 -3.733 563 HA LYS 71 HA LYS 71 -2.512 -3.846 -5.902 564 HB2 LYS 71 HB2 LYS 71 -3.037 -5.023 -3.182 565 HB3 LYS 71 HB1 LYS 71 -3.293 -5.754 -4.756 566 HG2 LYS 71 HG2 LYS 71 -0.946 -6.088 -5.055 567 HG3 LYS 71 HG1 LYS 71 -0.590 -5.158 -3.594 568 HD2 LYS 71 HD2 LYS 71 -0.439 -7.567 -3.164 569 HD3 LYS 71 HD1 LYS 71 -1.744 -6.833 -2.237 570 HE2 LYS 71 HE2 LYS 71 -3.355 -7.621 -3.904 571 HE3 LYS 71 HE1 LYS 71 -2.044 -8.362 -4.817 572 HZ1 LYS 71 HZ1 LYS 71 -1.595 -9.802 -2.937 573 HZ2 LYS 71 HZ2 LYS 71 -3.201 -9.970 -3.434 574 HZ3 LYS 71 HZ3 LYS 71 -2.838 -9.077 -2.048 575 H LYS 72 HN LYS 72 -2.959 -2.324 -2.820 576 HA LYS 72 HA LYS 72 -5.781 -1.813 -3.424 577 HB2 LYS 72 HB2 LYS 72 -4.636 -3.215 -1.119 578 HB3 LYS 72 HB1 LYS 72 -5.780 -1.947 -0.707 579 HG2 LYS 72 HG2 LYS 72 -7.039 -3.916 -0.836 580 HG3 LYS 72 HG1 LYS 72 -7.370 -3.043 -2.335 581 HD2 LYS 72 HD2 LYS 72 -5.915 -4.476 -3.571 582 HD3 LYS 72 HD1 LYS 72 -5.314 -5.233 -2.093 583 HE2 LYS 72 HE2 LYS 72 -8.138 -5.387 -3.140 584 HE3 LYS 72 HE1 LYS 72 -6.930 -6.666 -3.239 585 HZ1 LYS 72 HZ1 LYS 72 -8.155 -5.555 -0.775 586 HZ2 LYS 72 HZ2 LYS 72 -6.848 -6.629 -0.769 587 HZ3 LYS 72 HZ3 LYS 72 -8.344 -7.117 -1.399 588 H ALA 73 HN ALA 73 -6.123 0.193 -3.484 589 HA ALA 73 HA ALA 73 -4.930 1.934 -1.438 590 HB1 ALA 73 HB1 ALA 73 -4.916 3.769 -3.054 591 HB2 ALA 73 HB2 ALA 73 -5.547 2.690 -4.299 592 HB3 ALA 73 HB3 ALA 73 -3.935 2.424 -3.636 593 H GLN 74 HN GLN 74 -6.700 1.844 -0.088 594 HA GLN 74 HA GLN 74 -9.119 3.176 -1.053 595 HB2 GLN 74 HB2 GLN 74 -9.189 0.499 0.365 596 HB3 GLN 74 HB1 GLN 74 -10.589 1.458 -0.095 597 HG2 GLN 74 HG2 GLN 74 -10.017 1.185 -2.449 598 HG3 GLN 74 HG1 GLN 74 -8.594 0.253 -2.001 599 HE21 GLN 74 HE21 GLN 74 -11.736 -0.003 -0.458 600 HE22 GLN 74 HE22 GLN 74 -12.063 -1.615 -0.980 601 H THR 75 HN THR 75 -10.474 3.964 0.653 602 HA THR 75 HA THR 75 -9.135 4.282 3.231 603 HB THR 75 HB THR 75 -10.958 6.275 3.196 604 HG1 THR 75 HG1 THR 75 -9.938 6.688 0.676 605 HG21 THR 75 HG21 THR 75 -9.092 7.766 2.716 606 HG22 THR 75 HG22 THR 75 -8.154 6.411 2.092 607 HG23 THR 75 HG23 THR 75 -8.589 6.470 3.799 608 HA PRO 76 HA PRO 76 -12.261 2.278 5.412 609 HB2 PRO 76 HB2 PRO 76 -12.623 3.856 7.605 610 HB3 PRO 76 HB1 PRO 76 -11.216 2.817 7.368 611 HG2 PRO 76 HG2 PRO 76 -11.510 5.752 6.877 612 HG3 PRO 76 HG1 PRO 76 -10.166 4.870 7.628 613 HD2 PRO 76 HD2 PRO 76 -10.066 5.705 5.075 614 HD3 PRO 76 HD1 PRO 76 -9.312 4.186 5.595 615 H GLN 77 HN GLN 77 -12.955 5.405 4.188 616 HA GLN 77 HA GLN 77 -15.693 5.363 5.131 617 HB2 GLN 77 HB2 GLN 77 -15.842 7.474 4.395 618 HB3 GLN 77 HB1 GLN 77 -14.112 7.349 4.111 619 HG2 GLN 77 HG2 GLN 77 -15.808 6.386 1.929 620 HG3 GLN 77 HG1 GLN 77 -15.863 8.133 2.235 621 HE21 GLN 77 HE21 GLN 77 -13.294 5.896 2.750 622 HE22 GLN 77 HE22 GLN 77 -12.212 6.533 1.560 623 H GLN 78 HN GLN 78 -14.001 3.998 2.465 624 HA GLN 78 HA GLN 78 -16.559 3.313 1.135 625 HB2 GLN 78 HB2 GLN 78 -13.763 2.962 0.069 626 HB3 GLN 78 HB1 GLN 78 -15.257 2.688 -0.814 627 HG2 GLN 78 HG2 GLN 78 -15.262 4.797 -1.497 628 HG3 GLN 78 HG1 GLN 78 -15.216 5.361 0.181 629 HE21 GLN 78 HE21 GLN 78 -12.813 4.061 0.814 630 HE22 GLN 78 HE22 GLN 78 -11.544 4.990 0.101 631 H TRP 79 HN TRP 79 -13.543 2.196 2.388 632 HA TRP 79 HA TRP 79 -13.700 -0.556 2.091 633 HB2 TRP 79 HB2 TRP 79 -12.060 1.321 3.349 634 HB3 TRP 79 HB1 TRP 79 -12.655 0.329 4.670 635 HD1 TRP 79 HD1 TRP 79 -11.227 -0.458 1.160 636 HE1 TRP 79 HE1 TRP 79 -9.482 -2.304 1.434 637 HE3 TRP 79 HE3 TRP 79 -11.552 -1.107 6.203 638 HZ2 TRP 79 HZ2 TRP 79 -8.357 -3.866 3.552 639 HZ3 TRP 79 HZ3 TRP 79 -10.116 -2.784 7.282 640 HH2 TRP 79 HH2 TRP 79 -8.553 -4.128 5.982 641 H LYS 80 HN LYS 80 -15.325 1.677 4.090 642 HA LYS 80 HA LYS 80 -16.689 -0.478 5.586 643 HB2 LYS 80 HB2 LYS 80 -15.774 2.166 6.713 644 HB3 LYS 80 HB1 LYS 80 -16.442 0.803 7.625 645 HG2 LYS 80 HG2 LYS 80 -13.807 0.823 6.157 646 HG3 LYS 80 HG1 LYS 80 -14.000 1.088 7.893 647 HD2 LYS 80 HD2 LYS 80 -15.147 -1.395 6.714 648 HD3 LYS 80 HD1 LYS 80 -13.399 -1.299 6.916 649 HE2 LYS 80 HE2 LYS 80 -14.391 -2.353 8.853 650 HE3 LYS 80 HE1 LYS 80 -13.721 -0.787 9.300 651 HZ1 LYS 80 HZ1 LYS 80 -15.905 -1.207 10.286 652 HZ2 LYS 80 HZ2 LYS 80 -16.589 -1.308 8.743 653 HZ3 LYS 80 HZ3 LYS 80 -15.918 0.153 9.280 654 HA PRO 81 HA PRO 81 -20.279 2.255 4.860 655 HB2 PRO 81 HB2 PRO 81 -21.329 1.333 7.441 656 HB3 PRO 81 HB1 PRO 81 -22.016 1.127 5.828 657 HG2 PRO 81 HG2 PRO 81 -20.980 -0.934 7.230 658 HG3 PRO 81 HG1 PRO 81 -20.900 -0.850 5.462 659 HD2 PRO 81 HD2 PRO 81 -18.778 -0.252 7.485 660 HD3 PRO 81 HD1 PRO 81 -18.642 -1.083 5.921 661 HA PRO 82 HA PRO 82 -18.137 5.556 6.945 662 HB2 PRO 82 HB2 PRO 82 -20.796 6.874 6.547 663 HB3 PRO 82 HB1 PRO 82 -19.173 7.508 6.247 664 HG2 PRO 82 HG2 PRO 82 -20.674 6.620 4.236 665 HG3 PRO 82 HG1 PRO 82 -18.927 6.320 4.272 666 HD2 PRO 82 HD2 PRO 82 -21.177 4.444 4.738 667 HD3 PRO 82 HD1 PRO 82 -19.543 4.120 4.125 668 H SER 83 HN SER 83 -17.820 5.358 9.009 669 HA SER 83 HA SER 83 -19.433 6.328 11.030 670 HB2 SER 83 HB2 SER 83 -20.096 4.200 12.142 671 HB3 SER 83 HB1 SER 83 -20.873 4.415 10.575 672 HG SER 83 HG SER 83 -19.406 2.979 9.664 673 H GLN 84 HN GLN 84 -16.828 6.537 10.234 674 HA GLN 84 HA GLN 84 -15.296 4.937 12.168 675 HB2 GLN 84 HB2 GLN 84 -14.280 6.218 9.633 676 HB3 GLN 84 HB1 GLN 84 -13.399 5.153 10.679 677 HG2 GLN 84 HG2 GLN 84 -15.906 4.278 9.301 678 HG3 GLN 84 HG1 GLN 84 -14.341 4.217 8.494 679 HE21 GLN 84 HE21 GLN 84 -12.843 3.569 10.814 680 HE22 GLN 84 HE22 GLN 84 -13.223 1.970 11.241 681 H ASP 85 HN ASP 85 -14.840 7.954 10.329 682 HA ASP 85 HA ASP 85 -13.740 9.251 12.620 683 HB2 ASP 85 HB2 ASP 85 -13.490 11.154 11.069 684 HB3 ASP 85 HB1 ASP 85 -12.781 9.687 10.429 685 H SER 86 HN SER 86 -16.761 8.812 11.233 686 HA SER 86 HA SER 86 -18.031 11.175 12.224 687 HB2 SER 86 HB2 SER 86 -18.896 9.775 10.314 688 HB3 SER 86 HB1 SER 86 -19.331 8.540 11.492 689 HG SER 86 HG SER 86 -21.064 9.629 11.900 690 H ALA 87 HN ALA 87 -17.234 8.034 13.450 691 HA ALA 87 HA ALA 87 -18.890 8.191 15.769 692 HB1 ALA 87 HB1 ALA 87 -18.208 6.020 14.892 693 HB2 ALA 87 HB2 ALA 87 -17.625 6.227 16.543 694 HB3 ALA 87 HB3 ALA 87 -16.518 6.427 15.185 695 H THR 88 HN THR 88 -16.135 9.621 14.775 696 HA THR 88 HA THR 88 -15.076 10.089 17.465 697 HB THR 88 HB THR 88 -13.716 10.952 14.922 698 HG1 THR 88 HG1 THR 88 -14.323 8.420 15.710 699 HG21 THR 88 HG21 THR 88 -11.693 10.565 16.255 700 HG22 THR 88 HG22 THR 88 -12.682 10.019 17.608 701 HG23 THR 88 HG23 THR 88 -12.774 11.696 17.069 702 H LEU 89 HN LEU 89 -17.502 11.285 16.366 703 HA LEU 89 HA LEU 89 -16.725 14.096 16.674 704 HB2 LEU 89 HB2 LEU 89 -17.185 13.486 14.276 705 HB3 LEU 89 HB1 LEU 89 -18.829 13.112 14.749 706 HG LEU 89 HG LEU 89 -19.139 15.468 15.451 707 HD11 LEU 89 HD11 LEU 89 -16.846 16.043 15.971 708 HD12 LEU 89 HD12 LEU 89 -17.477 17.132 14.736 709 HD13 LEU 89 HD13 LEU 89 -16.384 15.826 14.283 710 HD21 LEU 89 HD21 LEU 89 -18.202 15.086 12.609 711 HD22 LEU 89 HD22 LEU 89 -19.224 16.400 13.191 712 HD23 LEU 89 HD23 LEU 89 -19.817 14.740 13.226 713 H THR 90 HN THR 90 -18.838 11.488 17.396 714 HA THR 90 HA THR 90 -20.603 13.316 18.895 715 HB THR 90 HB THR 90 -22.332 11.416 18.578 716 HG1 THR 90 HG1 THR 90 -21.849 10.457 16.374 717 HG21 THR 90 HG21 THR 90 -21.490 13.132 16.238 718 HG22 THR 90 HG22 THR 90 -22.537 13.636 17.564 719 HG23 THR 90 HG23 THR 90 -23.071 12.381 16.446 720 H LYS 91 HN LYS 91 -18.235 11.172 19.362 721 HA LYS 91 HA LYS 91 -18.765 10.715 22.055 722 HB2 LYS 91 HB2 LYS 91 -19.001 8.252 22.091 723 HB3 LYS 91 HB1 LYS 91 -20.394 9.046 21.380 724 HG2 LYS 91 HG2 LYS 91 -18.260 8.047 19.564 725 HG3 LYS 91 HG1 LYS 91 -19.344 6.880 20.322 726 HD2 LYS 91 HD2 LYS 91 -21.265 8.214 19.449 727 HD3 LYS 91 HD1 LYS 91 -20.107 9.211 18.570 728 HE2 LYS 91 HE2 LYS 91 -21.005 7.539 17.088 729 HE3 LYS 91 HE1 LYS 91 -19.308 7.189 17.405 730 HZ1 LYS 91 HZ1 LYS 91 -20.728 5.209 17.483 731 HZ2 LYS 91 HZ2 LYS 91 -21.584 5.872 18.783 732 HZ3 LYS 91 HZ3 LYS 91 -19.944 5.491 18.953 733 H ASP 92 HN ASP 92 -16.821 11.690 20.325 734 HA ASP 92 HA ASP 92 -14.607 9.864 20.178 735 HB2 ASP 92 HB2 ASP 92 -13.321 11.912 19.551 736 HB3 ASP 92 HB1 ASP 92 -14.750 11.651 18.558 737 H ALA 93 HN ALA 93 -15.851 10.329 22.815 738 HA ALA 93 HA ALA 93 -14.197 12.014 24.367 739 HB1 ALA 93 HB1 ALA 93 -15.295 11.010 26.297 740 HB2 ALA 93 HB2 ALA 93 -15.962 9.742 25.268 741 HB3 ALA 93 HB3 ALA 93 -16.472 11.415 25.047 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 17.606 -1.885 -2.639 2 H2 MET 1 HT2 MET 1 19.190 -1.987 -3.219 3 H3 MET 1 HT3 MET 1 18.790 -0.829 -2.047 4 HA MET 1 HA MET 1 18.665 -3.763 -1.645 5 HB2 MET 1 HB2 MET 1 20.694 -1.768 -0.610 6 HB3 MET 1 HB1 MET 1 20.651 -3.484 -0.234 7 HG2 MET 1 HG2 MET 1 21.203 -2.230 -2.909 8 HG3 MET 1 HG1 MET 1 22.348 -3.072 -1.869 9 HE1 MET 1 HE1 MET 1 22.030 -3.754 -4.935 10 HE2 MET 1 HE2 MET 1 22.025 -5.516 -4.894 11 HE3 MET 1 HE3 MET 1 23.134 -4.613 -3.861 12 H VAL 2 HN VAL 2 17.156 -4.183 -0.141 13 HA VAL 2 HA VAL 2 16.754 -2.481 2.128 14 HB VAL 2 HB VAL 2 15.739 -1.076 0.483 15 HG11 VAL 2 HG11 VAL 2 15.402 -2.988 -1.137 16 HG12 VAL 2 HG12 VAL 2 14.159 -1.743 -1.104 17 HG13 VAL 2 HG13 VAL 2 13.878 -3.289 -0.299 18 HG21 VAL 2 HG21 VAL 2 14.557 -1.179 2.602 19 HG22 VAL 2 HG22 VAL 2 13.592 -2.531 2.011 20 HG23 VAL 2 HG23 VAL 2 13.425 -0.938 1.271 21 H THR 3 HN THR 3 15.399 -3.350 3.652 22 HA THR 3 HA THR 3 14.287 -6.018 3.111 23 HB THR 3 HB THR 3 14.920 -4.832 5.813 24 HG1 THR 3 HG1 THR 3 16.871 -5.025 4.709 25 HG21 THR 3 HG21 THR 3 14.496 -7.688 4.922 26 HG22 THR 3 HG22 THR 3 13.326 -6.706 5.805 27 HG23 THR 3 HG23 THR 3 14.853 -7.156 6.566 28 H LYS 4 HN LYS 4 12.248 -6.515 3.990 29 HA LYS 4 HA LYS 4 10.256 -4.579 3.575 30 HB2 LYS 4 HB2 LYS 4 9.573 -6.761 3.138 31 HB3 LYS 4 HB1 LYS 4 10.362 -7.403 4.567 32 HG2 LYS 4 HG2 LYS 4 8.588 -6.257 5.934 33 HG3 LYS 4 HG1 LYS 4 7.763 -5.908 4.416 34 HD2 LYS 4 HD2 LYS 4 7.320 -8.146 3.986 35 HD3 LYS 4 HD1 LYS 4 8.602 -8.707 5.057 36 HE2 LYS 4 HE2 LYS 4 6.526 -9.194 6.113 37 HE3 LYS 4 HE1 LYS 4 7.258 -7.851 6.982 38 HZ1 LYS 4 HZ1 LYS 4 5.182 -7.507 4.889 39 HZ2 LYS 4 HZ2 LYS 4 5.752 -6.330 5.974 40 HZ3 LYS 4 HZ3 LYS 4 4.836 -7.635 6.537 41 H GLU 5 HN GLU 5 12.289 -5.088 6.131 42 HA GLU 5 HA GLU 5 10.399 -4.854 8.279 43 HB2 GLU 5 HB2 GLU 5 13.380 -5.002 8.098 44 HB3 GLU 5 HB1 GLU 5 12.586 -4.668 9.638 45 HG2 GLU 5 HG2 GLU 5 11.380 -6.791 9.451 46 HG3 GLU 5 HG1 GLU 5 12.181 -7.105 7.912 47 H GLN 6 HN GLN 6 12.727 -2.831 6.692 48 HA GLN 6 HA GLN 6 12.112 -0.521 8.268 49 HB2 GLN 6 HB2 GLN 6 13.521 0.694 6.724 50 HB3 GLN 6 HB1 GLN 6 14.292 -0.824 7.137 51 HG2 GLN 6 HG2 GLN 6 14.641 -1.004 4.952 52 HG3 GLN 6 HG1 GLN 6 12.958 -1.533 4.897 53 HE21 GLN 6 HE21 GLN 6 11.397 -0.133 4.026 54 HE22 GLN 6 HE22 GLN 6 11.830 1.309 3.163 55 H VAL 7 HN VAL 7 10.837 -2.126 5.517 56 HA VAL 7 HA VAL 7 9.527 0.117 4.297 57 HB VAL 7 HB VAL 7 9.085 -2.870 4.074 58 HG11 VAL 7 HG11 VAL 7 7.014 -1.736 3.561 59 HG12 VAL 7 HG12 VAL 7 7.737 -2.383 2.090 60 HG13 VAL 7 HG13 VAL 7 7.853 -0.660 2.444 61 HG21 VAL 7 HG21 VAL 7 10.153 -2.621 1.887 62 HG22 VAL 7 HG22 VAL 7 11.221 -2.109 3.194 63 HG23 VAL 7 HG23 VAL 7 10.397 -0.903 2.203 64 H GLU 8 HN GLU 8 8.803 -2.356 6.542 65 HA GLU 8 HA GLU 8 6.082 -2.087 6.970 66 HB2 GLU 8 HB2 GLU 8 8.473 -3.062 8.415 67 HB3 GLU 8 HB1 GLU 8 6.994 -2.856 9.360 68 HG2 GLU 8 HG2 GLU 8 7.392 -4.612 6.944 69 HG3 GLU 8 HG1 GLU 8 7.195 -5.143 8.610 70 H ALA 9 HN ALA 9 8.851 -0.551 8.547 71 HA ALA 9 HA ALA 9 7.190 0.888 10.404 72 HB1 ALA 9 HB1 ALA 9 9.299 1.852 11.191 73 HB2 ALA 9 HB2 ALA 9 10.147 1.113 9.833 74 HB3 ALA 9 HB3 ALA 9 9.410 0.096 11.071 75 H SER 10 HN SER 10 8.697 1.357 7.337 76 HA SER 10 HA SER 10 8.692 4.257 7.552 77 HB2 SER 10 HB2 SER 10 9.280 2.438 5.213 78 HB3 SER 10 HB1 SER 10 9.363 4.198 5.126 79 HG SER 10 HG SER 10 10.940 2.422 6.664 80 H LEU 11 HN LEU 11 6.770 1.820 5.897 81 HA LEU 11 HA LEU 11 5.140 3.757 4.572 82 HB2 LEU 11 HB2 LEU 11 4.611 0.835 5.076 83 HB3 LEU 11 HB1 LEU 11 3.765 1.849 3.932 84 HG LEU 11 HG LEU 11 6.403 0.528 3.716 85 HD11 LEU 11 HD11 LEU 11 4.480 -0.305 2.514 86 HD12 LEU 11 HD12 LEU 11 5.702 0.287 1.390 87 HD13 LEU 11 HD13 LEU 11 4.269 1.257 1.726 88 HD21 LEU 11 HD21 LEU 11 7.128 2.832 3.603 89 HD22 LEU 11 HD22 LEU 11 5.880 3.196 2.414 90 HD23 LEU 11 HD23 LEU 11 7.196 2.097 2.001 91 H THR 12 HN THR 12 4.857 1.842 7.521 92 HA THR 12 HA THR 12 2.265 2.645 8.251 93 HB THR 12 HB THR 12 4.609 1.930 10.032 94 HG1 THR 12 HG1 THR 12 4.231 0.092 9.003 95 HG21 THR 12 HG21 THR 12 2.930 1.363 11.719 96 HG22 THR 12 HG22 THR 12 1.652 1.939 10.649 97 HG23 THR 12 HG23 THR 12 2.841 3.071 11.291 98 H SER 13 HN SER 13 5.153 4.426 8.049 99 HA SER 13 HA SER 13 4.337 6.433 10.002 100 HB2 SER 13 HB2 SER 13 6.777 6.254 8.227 101 HB3 SER 13 HB1 SER 13 6.493 7.525 9.417 102 HG SER 13 HG SER 13 6.849 4.742 9.895 103 H LYS 14 HN LYS 14 4.722 6.038 6.521 104 HA LYS 14 HA LYS 14 4.121 8.832 6.018 105 HB2 LYS 14 HB2 LYS 14 4.601 6.593 4.040 106 HB3 LYS 14 HB1 LYS 14 4.632 8.317 3.704 107 HG2 LYS 14 HG2 LYS 14 6.646 8.609 4.915 108 HG3 LYS 14 HG1 LYS 14 6.543 6.987 5.606 109 HD2 LYS 14 HD2 LYS 14 6.785 6.049 3.322 110 HD3 LYS 14 HD1 LYS 14 7.005 7.689 2.707 111 HE2 LYS 14 HE2 LYS 14 8.989 7.955 4.102 112 HE3 LYS 14 HE1 LYS 14 8.759 6.335 4.756 113 HZ1 LYS 14 HZ1 LYS 14 10.438 6.471 2.966 114 HZ2 LYS 14 HZ2 LYS 14 9.218 6.913 1.883 115 HZ3 LYS 14 HZ3 LYS 14 9.185 5.385 2.617 116 H LEU 15 HN LEU 15 2.607 5.757 6.092 117 HA LEU 15 HA LEU 15 0.242 6.830 4.693 118 HB2 LEU 15 HB2 LEU 15 1.276 4.007 4.890 119 HB3 LEU 15 HB1 LEU 15 -0.318 4.406 4.264 120 HG LEU 15 HG LEU 15 0.796 4.256 2.288 121 HD11 LEU 15 HD11 LEU 15 0.027 6.575 2.449 122 HD12 LEU 15 HD12 LEU 15 1.464 6.420 1.439 123 HD13 LEU 15 HD13 LEU 15 1.608 7.043 3.086 124 HD21 LEU 15 HD21 LEU 15 3.279 5.152 3.729 125 HD22 LEU 15 HD22 LEU 15 3.199 4.824 2.000 126 HD23 LEU 15 HD23 LEU 15 2.894 3.529 3.158 127 H LYS 16 HN LYS 16 1.472 5.971 7.613 128 HA LYS 16 HA LYS 16 0.609 5.923 9.678 129 HB2 LYS 16 HB2 LYS 16 -2.031 6.424 8.297 130 HB3 LYS 16 HB1 LYS 16 -1.796 6.460 10.040 131 HG2 LYS 16 HG2 LYS 16 -0.173 8.293 9.756 132 HG3 LYS 16 HG1 LYS 16 -0.500 8.282 8.022 133 HD2 LYS 16 HD2 LYS 16 -2.818 8.858 8.425 134 HD3 LYS 16 HD1 LYS 16 -2.561 8.775 10.169 135 HE2 LYS 16 HE2 LYS 16 -1.260 10.714 8.261 136 HE3 LYS 16 HE1 LYS 16 -2.548 11.083 9.405 137 HZ1 LYS 16 HZ1 LYS 16 -0.426 11.760 10.290 138 HZ2 LYS 16 HZ2 LYS 16 0.203 10.207 10.087 139 HZ3 LYS 16 HZ3 LYS 16 -1.028 10.475 11.212 140 HA PRO 17 HA PRO 17 -0.410 1.709 10.289 141 HB2 PRO 17 HB2 PRO 17 -1.208 1.685 12.863 142 HB3 PRO 17 HB1 PRO 17 0.464 2.025 12.401 143 HG2 PRO 17 HG2 PRO 17 -1.719 3.928 13.157 144 HG3 PRO 17 HG1 PRO 17 -0.011 3.936 13.635 145 HD2 PRO 17 HD2 PRO 17 -1.026 5.519 11.658 146 HD3 PRO 17 HD1 PRO 17 0.655 4.957 11.690 147 H ILE 18 HN ILE 18 -2.434 2.654 8.799 148 HA ILE 18 HA ILE 18 -4.955 2.172 10.196 149 HB ILE 18 HB ILE 18 -4.628 2.737 7.258 150 HG12 ILE 18 HG12 ILE 18 -3.454 4.515 8.474 151 HG13 ILE 18 HG11 ILE 18 -4.943 5.130 7.766 152 HG21 ILE 18 HG21 ILE 18 -6.900 3.651 7.492 153 HG22 ILE 18 HG22 ILE 18 -6.890 3.212 9.201 154 HG23 ILE 18 HG23 ILE 18 -6.815 1.955 7.967 155 HD11 ILE 18 HD11 ILE 18 -4.634 6.024 9.983 156 HD12 ILE 18 HD12 ILE 18 -4.506 4.398 10.651 157 HD13 ILE 18 HD13 ILE 18 -6.030 4.948 9.960 158 H HIS 19 HN HIS 19 -3.981 1.192 6.932 159 HA HIS 19 HA HIS 19 -3.961 -1.608 7.685 160 HB2 HIS 19 HB2 HIS 19 -6.307 -1.302 7.051 161 HB3 HIS 19 HB1 HIS 19 -5.819 -0.533 5.546 162 HD1 HIS 19 HD1 HIS 19 -5.960 -3.899 7.215 163 HD2 HIS 19 HD2 HIS 19 -5.171 -2.276 3.473 164 HE1 HIS 19 HE1 HIS 19 -5.921 -5.840 5.621 165 HE2 HIS 19 HE2 HIS 19 -5.180 -4.857 3.433 166 H LEU 20 HN LEU 20 -1.876 -1.787 7.143 167 HA LEU 20 HA LEU 20 -1.275 -1.552 4.297 168 HB2 LEU 20 HB2 LEU 20 -0.434 0.460 5.580 169 HB3 LEU 20 HB1 LEU 20 0.631 -0.638 6.437 170 HG LEU 20 HG LEU 20 0.803 -0.768 3.499 171 HD11 LEU 20 HD11 LEU 20 1.907 1.599 4.997 172 HD12 LEU 20 HD12 LEU 20 0.491 1.656 3.948 173 HD13 LEU 20 HD13 LEU 20 2.068 1.251 3.274 174 HD21 LEU 20 HD21 LEU 20 2.841 -0.577 5.715 175 HD22 LEU 20 HD22 LEU 20 3.184 -0.912 4.019 176 HD23 LEU 20 HD23 LEU 20 2.256 -2.068 4.976 177 H GLU 21 HN GLU 21 -0.331 -3.358 3.552 178 HA GLU 21 HA GLU 21 1.189 -5.038 5.335 179 HB2 GLU 21 HB2 GLU 21 -0.121 -7.037 4.799 180 HB3 GLU 21 HB1 GLU 21 -1.089 -5.824 5.619 181 HG2 GLU 21 HG2 GLU 21 -2.106 -5.174 3.514 182 HG3 GLU 21 HG1 GLU 21 -1.120 -6.363 2.663 183 H VAL 22 HN VAL 22 2.987 -4.862 4.213 184 HA VAL 22 HA VAL 22 2.974 -5.311 1.342 185 HB VAL 22 HB VAL 22 5.266 -4.614 1.350 186 HG11 VAL 22 HG11 VAL 22 3.393 -2.969 3.009 187 HG12 VAL 22 HG12 VAL 22 3.886 -2.749 1.327 188 HG13 VAL 22 HG13 VAL 22 5.020 -2.392 2.627 189 HG21 VAL 22 HG21 VAL 22 6.494 -4.059 3.389 190 HG22 VAL 22 HG22 VAL 22 6.023 -5.760 3.374 191 HG23 VAL 22 HG23 VAL 22 5.128 -4.605 4.365 192 H ILE 23 HN ILE 23 3.899 -7.099 0.379 193 HA ILE 23 HA ILE 23 4.537 -9.280 2.214 194 HB ILE 23 HB ILE 23 3.085 -9.524 -0.413 195 HG12 ILE 23 HG12 ILE 23 1.692 -8.470 1.329 196 HG13 ILE 23 HG11 ILE 23 1.096 -10.070 0.902 197 HG21 ILE 23 HG21 ILE 23 3.686 -11.591 1.693 198 HG22 ILE 23 HG22 ILE 23 4.451 -11.470 0.110 199 HG23 ILE 23 HG23 ILE 23 2.736 -11.857 0.231 200 HD11 ILE 23 HD11 ILE 23 2.687 -9.338 3.350 201 HD12 ILE 23 HD12 ILE 23 2.186 -10.972 2.919 202 HD13 ILE 23 HD13 ILE 23 0.973 -9.747 3.283 203 H ASP 24 HN ASP 24 6.612 -9.254 2.048 204 HA ASP 24 HA ASP 24 8.265 -8.845 -0.145 205 HB2 ASP 24 HB2 ASP 24 9.270 -8.897 2.018 206 HB3 ASP 24 HB1 ASP 24 8.686 -10.531 2.319 207 H ILE 25 HN ILE 25 8.194 -9.815 -1.996 208 HA ILE 25 HA ILE 25 7.852 -12.730 -2.037 209 HB ILE 25 HB ILE 25 6.904 -12.370 -4.375 210 HG12 ILE 25 HG12 ILE 25 5.642 -10.087 -4.463 211 HG13 ILE 25 HG11 ILE 25 6.909 -9.541 -3.372 212 HG21 ILE 25 HG21 ILE 25 4.653 -11.943 -3.523 213 HG22 ILE 25 HG22 ILE 25 5.346 -11.392 -1.999 214 HG23 ILE 25 HG23 ILE 25 5.548 -13.069 -2.504 215 HD11 ILE 25 HD11 ILE 25 7.392 -8.989 -5.694 216 HD12 ILE 25 HD12 ILE 25 7.341 -10.700 -6.115 217 HD13 ILE 25 HD13 ILE 25 8.593 -10.096 -5.029 218 H SER 26 HN SER 26 10.294 -11.042 -1.892 219 HA SER 26 HA SER 26 11.755 -12.419 -3.968 220 HB2 SER 26 HB2 SER 26 12.883 -10.167 -4.603 221 HB3 SER 26 HB1 SER 26 11.316 -10.568 -5.311 222 HG SER 26 HG SER 26 10.325 -9.233 -3.840 223 H GLY 27 HN GLY 27 12.817 -9.463 -2.311 224 HA2 GLY 27 HA2 GLY 27 13.892 -10.546 -0.011 225 HA3 GLY 27 HA1 GLY 27 15.101 -10.792 -1.257 226 H GLY 28 HN GLY 28 16.506 -9.206 -1.622 227 HA2 GLY 28 HA2 GLY 28 15.949 -6.617 -0.313 228 HA3 GLY 28 HA1 GLY 28 17.536 -7.367 -0.355 229 H CYS 29 HN CYS 29 17.753 -8.092 -2.994 230 HA CYS 29 HA CYS 29 17.956 -5.479 -4.286 231 HB2 CYS 29 HB2 CYS 29 19.939 -6.992 -4.228 232 HB3 CYS 29 HB1 CYS 29 19.037 -8.152 -5.197 233 HG CYS 29 HG CYS 29 19.980 -7.230 -7.392 234 H GLY 30 HN GLY 30 16.334 -8.520 -4.470 235 HA2 GLY 30 HA2 GLY 30 15.024 -7.945 -6.979 236 HA3 GLY 30 HA1 GLY 30 14.728 -9.329 -5.924 237 H SER 31 HN SER 31 14.833 -7.186 -3.775 238 HA SER 31 HA SER 31 12.502 -7.394 -2.632 239 HB2 SER 31 HB2 SER 31 14.352 -6.057 -1.762 240 HB3 SER 31 HB1 SER 31 13.985 -4.774 -2.906 241 HG SER 31 HG SER 31 12.807 -5.402 -0.524 242 H SER 32 HN SER 32 10.646 -7.444 -3.424 243 HA SER 32 HA SER 32 9.427 -5.038 -4.534 244 HB2 SER 32 HB2 SER 32 9.098 -7.802 -5.747 245 HB3 SER 32 HB1 SER 32 8.251 -6.344 -6.260 246 HG SER 32 HG SER 32 11.072 -6.723 -6.329 247 H PHE 33 HN PHE 33 7.429 -4.714 -3.662 248 HA PHE 33 HA PHE 33 6.437 -6.882 -1.940 249 HB2 PHE 33 HB2 PHE 33 6.391 -3.946 -1.251 250 HB3 PHE 33 HB1 PHE 33 5.887 -5.284 -0.229 251 HD1 PHE 33 HD1 PHE 33 7.758 -7.117 0.105 252 HD2 PHE 33 HD2 PHE 33 8.469 -3.044 -0.856 253 HE1 PHE 33 HE1 PHE 33 10.047 -7.309 1.002 254 HE2 PHE 33 HE2 PHE 33 10.748 -3.223 0.046 255 HZ PHE 33 HZ PHE 33 11.533 -5.356 0.980 256 H GLU 34 HN GLU 34 4.394 -7.364 -2.118 257 HA GLU 34 HA GLU 34 2.600 -5.682 -3.696 258 HB2 GLU 34 HB2 GLU 34 2.030 -8.310 -2.296 259 HB3 GLU 34 HB1 GLU 34 1.052 -7.543 -3.537 260 HG2 GLU 34 HG2 GLU 34 3.838 -8.597 -3.954 261 HG3 GLU 34 HG1 GLU 34 2.359 -9.464 -4.359 262 H VAL 35 HN VAL 35 1.753 -4.000 -2.598 263 HA VAL 35 HA VAL 35 1.188 -4.395 0.260 264 HB VAL 35 HB VAL 35 2.851 -2.655 -0.279 265 HG11 VAL 35 HG11 VAL 35 1.957 -1.909 -2.424 266 HG12 VAL 35 HG12 VAL 35 2.175 -0.560 -1.307 267 HG13 VAL 35 HG13 VAL 35 0.564 -1.215 -1.595 268 HG21 VAL 35 HG21 VAL 35 1.854 -0.874 1.103 269 HG22 VAL 35 HG22 VAL 35 1.605 -2.487 1.774 270 HG23 VAL 35 HG23 VAL 35 0.285 -1.665 0.940 271 H GLU 36 HN GLU 36 -0.755 -3.951 1.121 272 HA GLU 36 HA GLU 36 -2.816 -2.775 -0.616 273 HB2 GLU 36 HB2 GLU 36 -3.268 -4.689 1.683 274 HB3 GLU 36 HB1 GLU 36 -4.494 -4.038 0.604 275 HG2 GLU 36 HG2 GLU 36 -3.305 -5.194 -1.279 276 HG3 GLU 36 HG1 GLU 36 -2.313 -5.988 -0.052 277 H VAL 37 HN VAL 37 -3.036 -0.723 -0.013 278 HA VAL 37 HA VAL 37 -2.807 -0.098 2.858 279 HB VAL 37 HB VAL 37 -2.431 1.842 0.581 280 HG11 VAL 37 HG11 VAL 37 -3.090 2.877 2.654 281 HG12 VAL 37 HG12 VAL 37 -1.402 3.256 2.305 282 HG13 VAL 37 HG13 VAL 37 -1.800 2.039 3.518 283 HG21 VAL 37 HG21 VAL 37 -0.019 1.708 1.021 284 HG22 VAL 37 HG22 VAL 37 -0.673 0.170 0.457 285 HG23 VAL 37 HG23 VAL 37 -0.310 0.400 2.167 286 H VAL 38 HN VAL 38 -4.587 0.680 3.816 287 HA VAL 38 HA VAL 38 -6.279 2.353 2.168 288 HB VAL 38 HB VAL 38 -8.171 1.694 3.150 289 HG11 VAL 38 HG11 VAL 38 -7.349 -0.293 2.152 290 HG12 VAL 38 HG12 VAL 38 -8.250 -0.711 3.609 291 HG13 VAL 38 HG13 VAL 38 -6.487 -0.723 3.629 292 HG21 VAL 38 HG21 VAL 38 -8.390 0.695 5.444 293 HG22 VAL 38 HG22 VAL 38 -7.892 2.383 5.364 294 HG23 VAL 38 HG23 VAL 38 -6.696 1.129 5.685 295 H SER 39 HN SER 39 -5.777 4.349 2.499 296 HA SER 39 HA SER 39 -5.101 5.248 5.192 297 HB2 SER 39 HB2 SER 39 -2.985 4.650 4.022 298 HB3 SER 39 HB1 SER 39 -3.395 5.807 2.755 299 HG SER 39 HG SER 39 -2.424 6.222 5.301 300 H GLU 40 HN GLU 40 -5.140 7.543 5.389 301 HA GLU 40 HA GLU 40 -7.546 8.573 4.351 302 HB2 GLU 40 HB2 GLU 40 -7.016 10.578 5.625 303 HB3 GLU 40 HB1 GLU 40 -6.691 9.127 6.559 304 HG2 GLU 40 HG2 GLU 40 -4.348 9.349 6.246 305 HG3 GLU 40 HG1 GLU 40 -4.575 10.651 5.078 306 H GLN 41 HN GLN 41 -4.806 8.285 2.682 307 HA GLN 41 HA GLN 41 -4.829 10.930 1.433 308 HB2 GLN 41 HB2 GLN 41 -3.028 8.546 1.271 309 HB3 GLN 41 HB1 GLN 41 -3.076 9.648 -0.094 310 HG2 GLN 41 HG2 GLN 41 -1.248 10.256 1.305 311 HG3 GLN 41 HG1 GLN 41 -2.485 11.502 1.431 312 HE21 GLN 41 HE21 GLN 41 -2.644 8.402 3.056 313 HE22 GLN 41 HE22 GLN 41 -2.467 9.025 4.651 314 H PHE 42 HN PHE 42 -6.476 8.173 1.328 315 HA PHE 42 HA PHE 42 -7.047 8.317 -1.549 316 HB2 PHE 42 HB2 PHE 42 -7.566 6.085 0.429 317 HB3 PHE 42 HB1 PHE 42 -7.844 6.005 -1.309 318 HD1 PHE 42 HD2 PHE 42 -5.171 7.548 -1.930 319 HD2 PHE 42 HD1 PHE 42 -6.133 4.151 0.452 320 HE1 PHE 42 HE2 PHE 42 -2.890 6.681 -2.225 321 HE2 PHE 42 HE1 PHE 42 -3.858 3.295 0.160 322 HZ PHE 42 HZ PHE 42 -2.235 4.559 -1.181 323 H GLU 43 HN GLU 43 -8.086 10.004 0.714 324 HA GLU 43 HA GLU 43 -10.682 9.040 1.467 325 HB2 GLU 43 HB2 GLU 43 -9.363 10.515 2.909 326 HB3 GLU 43 HB1 GLU 43 -9.454 11.790 1.705 327 HG2 GLU 43 HG2 GLU 43 -11.931 11.783 1.994 328 HG3 GLU 43 HG1 GLU 43 -11.710 10.662 3.337 329 H GLY 44 HN GLY 44 -12.294 8.859 0.034 330 HA2 GLY 44 HA2 GLY 44 -13.740 9.329 -1.692 331 HA3 GLY 44 HA1 GLY 44 -13.567 11.006 -1.196 332 H LYS 45 HN LYS 45 -10.900 9.088 -2.240 333 HA LYS 45 HA LYS 45 -10.275 11.102 -4.212 334 HB2 LYS 45 HB2 LYS 45 -8.808 8.964 -2.717 335 HB3 LYS 45 HB1 LYS 45 -8.084 9.754 -4.082 336 HG2 LYS 45 HG2 LYS 45 -9.074 11.114 -1.601 337 HG3 LYS 45 HG1 LYS 45 -7.383 10.738 -1.959 338 HD2 LYS 45 HD2 LYS 45 -7.563 12.169 -3.994 339 HD3 LYS 45 HD1 LYS 45 -9.183 12.631 -3.470 340 HE2 LYS 45 HE2 LYS 45 -7.565 14.320 -2.817 341 HE3 LYS 45 HE1 LYS 45 -8.250 13.535 -1.395 342 HZ1 LYS 45 HZ1 LYS 45 -6.269 12.198 -1.193 343 HZ2 LYS 45 HZ2 LYS 45 -5.847 13.833 -1.229 344 HZ3 LYS 45 HZ3 LYS 45 -5.617 12.875 -2.601 345 H ARG 46 HN ARG 46 -9.778 10.632 -6.336 346 HA ARG 46 HA ARG 46 -10.832 8.228 -7.477 347 HB2 ARG 46 HB2 ARG 46 -9.032 10.314 -8.730 348 HB3 ARG 46 HB1 ARG 46 -9.953 9.094 -9.593 349 HG2 ARG 46 HG2 ARG 46 -12.031 10.116 -8.828 350 HG3 ARG 46 HG1 ARG 46 -11.111 11.336 -7.951 351 HD2 ARG 46 HD2 ARG 46 -11.176 10.904 -10.933 352 HD3 ARG 46 HD1 ARG 46 -11.861 12.260 -10.042 353 HE ARG 46 HE ARG 46 -8.957 11.747 -10.040 354 HH11 ARG 46 HH11 ARG 46 -11.678 13.865 -10.646 355 HH12 ARG 46 HH12 ARG 46 -10.687 15.255 -10.940 356 HH21 ARG 46 HH21 ARG 46 -7.654 13.556 -10.444 357 HH22 ARG 46 HH22 ARG 46 -8.396 15.086 -10.829 358 H LEU 47 HN LEU 47 -9.750 6.490 -8.203 359 HA LEU 47 HA LEU 47 -7.663 5.437 -6.782 360 HB2 LEU 47 HB2 LEU 47 -8.358 4.747 -9.634 361 HB3 LEU 47 HB1 LEU 47 -7.490 3.725 -8.507 362 HG LEU 47 HG LEU 47 -10.370 4.582 -8.212 363 HD11 LEU 47 HD11 LEU 47 -10.894 2.258 -8.737 364 HD12 LEU 47 HD12 LEU 47 -9.184 1.932 -9.017 365 HD13 LEU 47 HD13 LEU 47 -10.054 3.045 -10.073 366 HD21 LEU 47 HD21 LEU 47 -8.654 2.708 -6.590 367 HD22 LEU 47 HD22 LEU 47 -10.407 2.838 -6.448 368 HD23 LEU 47 HD23 LEU 47 -9.388 4.221 -6.053 369 H LEU 48 HN LEU 48 -7.508 7.447 -9.561 370 HA LEU 48 HA LEU 48 -4.852 6.884 -10.371 371 HB2 LEU 48 HB2 LEU 48 -6.500 9.370 -10.844 372 HB3 LEU 48 HB1 LEU 48 -5.042 8.928 -11.709 373 HG LEU 48 HG LEU 48 -7.662 7.425 -11.791 374 HD11 LEU 48 HD11 LEU 48 -6.285 9.117 -13.870 375 HD12 LEU 48 HD12 LEU 48 -7.733 9.562 -12.969 376 HD13 LEU 48 HD13 LEU 48 -7.777 8.206 -14.096 377 HD21 LEU 48 HD21 LEU 48 -6.600 6.110 -13.565 378 HD22 LEU 48 HD22 LEU 48 -5.770 5.918 -12.023 379 HD23 LEU 48 HD23 LEU 48 -5.078 6.950 -13.272 380 H GLU 49 HN GLU 49 -6.307 9.521 -8.513 381 HA GLU 49 HA GLU 49 -3.895 10.832 -7.829 382 HB2 GLU 49 HB2 GLU 49 -6.169 10.851 -5.901 383 HB3 GLU 49 HB1 GLU 49 -5.183 12.187 -6.473 384 HG2 GLU 49 HG2 GLU 49 -7.346 10.816 -8.034 385 HG3 GLU 49 HG1 GLU 49 -7.507 12.356 -7.193 386 H ARG 50 HN ARG 50 -5.761 8.222 -6.548 387 HA ARG 50 HA ARG 50 -4.672 7.932 -4.012 388 HB2 ARG 50 HB2 ARG 50 -5.891 6.018 -5.991 389 HB3 ARG 50 HB1 ARG 50 -5.324 5.456 -4.407 390 HG2 ARG 50 HG2 ARG 50 -6.838 7.217 -3.401 391 HG3 ARG 50 HG1 ARG 50 -7.509 7.430 -5.018 392 HD2 ARG 50 HD2 ARG 50 -7.896 4.893 -4.971 393 HD3 ARG 50 HD1 ARG 50 -7.618 5.017 -3.237 394 HE ARG 50 HE ARG 50 -9.569 6.886 -4.213 395 HH11 ARG 50 HH11 ARG 50 -9.107 3.597 -3.095 396 HH12 ARG 50 HH12 ARG 50 -10.768 3.403 -2.627 397 HH21 ARG 50 HH21 ARG 50 -11.723 6.630 -3.588 398 HH22 ARG 50 HH22 ARG 50 -12.249 5.136 -2.873 399 H HIS 51 HN HIS 51 -3.674 6.444 -7.077 400 HA HIS 51 HA HIS 51 -1.470 5.093 -5.850 401 HB2 HIS 51 HB2 HIS 51 -2.074 5.589 -8.769 402 HB3 HIS 51 HB1 HIS 51 -0.772 4.562 -8.184 403 HD1 HIS 51 HD1 HIS 51 -3.652 3.952 -9.789 404 HD2 HIS 51 HD2 HIS 51 -2.408 2.779 -6.017 405 HE1 HIS 51 HE1 HIS 51 -4.994 1.912 -9.209 406 HE2 HIS 51 HE2 HIS 51 -4.118 1.136 -7.002 407 H ARG 52 HN ARG 52 -1.833 8.046 -7.709 408 HA ARG 52 HA ARG 52 0.945 8.519 -8.027 409 HB2 ARG 52 HB2 ARG 52 -0.850 9.494 -9.454 410 HB3 ARG 52 HB1 ARG 52 -1.343 10.497 -8.102 411 HG2 ARG 52 HG2 ARG 52 1.488 10.683 -8.933 412 HG3 ARG 52 HG1 ARG 52 0.281 11.348 -10.035 413 HD2 ARG 52 HD2 ARG 52 0.617 12.058 -7.122 414 HD3 ARG 52 HD1 ARG 52 1.097 13.054 -8.497 415 HE ARG 52 HE ARG 52 -1.593 12.502 -8.829 416 HH11 ARG 52 HH11 ARG 52 0.428 14.163 -6.514 417 HH12 ARG 52 HH12 ARG 52 -0.825 15.252 -6.005 418 HH21 ARG 52 HH21 ARG 52 -3.243 13.931 -8.184 419 HH22 ARG 52 HH22 ARG 52 -2.920 15.126 -6.966 420 H MET 53 HN MET 53 -1.148 8.790 -5.376 421 HA MET 53 HA MET 53 0.461 10.901 -4.143 422 HB2 MET 53 HB2 MET 53 -2.123 10.808 -4.107 423 HB3 MET 53 HB1 MET 53 -1.921 9.581 -2.866 424 HG2 MET 53 HG2 MET 53 -0.738 11.139 -1.454 425 HG3 MET 53 HG1 MET 53 -0.802 12.371 -2.712 426 HE1 MET 53 HE1 MET 53 -3.239 13.841 -0.050 427 HE2 MET 53 HE2 MET 53 -1.891 14.187 -1.129 428 HE3 MET 53 HE3 MET 53 -1.691 13.031 0.186 429 H VAL 54 HN VAL 54 -0.403 7.533 -3.813 430 HA VAL 54 HA VAL 54 0.949 7.106 -1.350 431 HB VAL 54 HB VAL 54 -0.780 5.671 -2.832 432 HG11 VAL 54 HG11 VAL 54 0.834 4.939 -4.466 433 HG12 VAL 54 HG12 VAL 54 0.230 3.569 -3.531 434 HG13 VAL 54 HG13 VAL 54 1.828 4.235 -3.190 435 HG21 VAL 54 HG21 VAL 54 1.079 4.646 -0.699 436 HG22 VAL 54 HG22 VAL 54 -0.394 3.826 -1.210 437 HG23 VAL 54 HG23 VAL 54 -0.489 5.418 -0.457 438 H ASN 55 HN ASN 55 1.790 6.758 -4.736 439 HA ASN 55 HA ASN 55 4.388 5.714 -4.121 440 HB2 ASN 55 HB2 ASN 55 4.776 5.491 -6.355 441 HB3 ASN 55 HB1 ASN 55 3.022 5.389 -6.337 442 HD21 ASN 55 HD21 ASN 55 2.502 8.120 -5.971 443 HD22 ASN 55 HD22 ASN 55 3.046 9.002 -7.359 444 H ALA 56 HN ALA 56 2.986 8.776 -4.193 445 HA ALA 56 HA ALA 56 5.252 10.344 -4.752 446 HB1 ALA 56 HB1 ALA 56 3.021 11.323 -4.526 447 HB2 ALA 56 HB2 ALA 56 4.166 12.106 -3.437 448 HB3 ALA 56 HB3 ALA 56 3.015 10.928 -2.807 449 H ALA 57 HN ALA 57 4.092 8.778 -1.837 450 HA ALA 57 HA ALA 57 6.342 9.706 -0.240 451 HB1 ALA 57 HB1 ALA 57 3.987 7.931 0.405 452 HB2 ALA 57 HB2 ALA 57 4.153 9.643 0.794 453 HB3 ALA 57 HB3 ALA 57 5.202 8.457 1.572 454 H LEU 58 HN LEU 58 5.800 7.352 -2.440 455 HA LEU 58 HA LEU 58 7.509 5.367 -1.116 456 HB2 LEU 58 HB2 LEU 58 4.927 5.132 -2.479 457 HB3 LEU 58 HB1 LEU 58 6.117 3.966 -3.002 458 HG LEU 58 HG LEU 58 6.352 3.174 -0.682 459 HD11 LEU 58 HD11 LEU 58 4.194 5.195 -0.106 460 HD12 LEU 58 HD12 LEU 58 5.848 5.215 0.509 461 HD13 LEU 58 HD13 LEU 58 4.735 3.941 1.008 462 HD21 LEU 58 HD21 LEU 58 4.179 2.099 -0.503 463 HD22 LEU 58 HD22 LEU 58 4.717 2.130 -2.182 464 HD23 LEU 58 HD23 LEU 58 3.491 3.268 -1.628 465 H GLU 59 HN GLU 59 7.442 7.613 -3.427 466 HA GLU 59 HA GLU 59 8.505 6.254 -5.692 467 HB2 GLU 59 HB2 GLU 59 7.445 8.462 -5.927 468 HB3 GLU 59 HB1 GLU 59 8.670 9.173 -4.873 469 HG2 GLU 59 HG2 GLU 59 9.654 7.810 -7.304 470 HG3 GLU 59 HG1 GLU 59 8.760 9.310 -7.536 471 H GLU 60 HN GLU 60 9.787 7.804 -2.893 472 HA GLU 60 HA GLU 60 12.549 7.633 -3.568 473 HB2 GLU 60 HB2 GLU 60 11.760 7.651 -0.721 474 HB3 GLU 60 HB1 GLU 60 12.844 8.732 -1.586 475 HG2 GLU 60 HG2 GLU 60 10.894 9.892 -2.539 476 HG3 GLU 60 HG1 GLU 60 9.823 8.838 -1.607 477 H GLU 61 HN GLU 61 10.181 5.743 -1.896 478 HA GLU 61 HA GLU 61 11.856 3.766 -0.786 479 HB2 GLU 61 HB2 GLU 61 9.301 4.429 -0.453 480 HB3 GLU 61 HB1 GLU 61 9.061 3.166 -1.650 481 HG2 GLU 61 HG2 GLU 61 8.810 2.106 0.423 482 HG3 GLU 61 HG1 GLU 61 10.424 1.659 -0.128 483 H MET 62 HN MET 62 10.074 4.088 -3.817 484 HA MET 62 HA MET 62 10.581 1.548 -4.890 485 HB2 MET 62 HB2 MET 62 9.985 4.209 -6.163 486 HB3 MET 62 HB1 MET 62 10.252 2.766 -7.127 487 HG2 MET 62 HG2 MET 62 8.365 1.678 -6.110 488 HG3 MET 62 HG1 MET 62 8.139 3.031 -5.003 489 HE1 MET 62 HE1 MET 62 9.143 3.460 -8.797 490 HE2 MET 62 HE2 MET 62 7.561 3.420 -9.573 491 HE3 MET 62 HE3 MET 62 8.194 1.976 -8.788 492 H LYS 63 HN LYS 63 12.501 4.455 -4.792 493 HA LYS 63 HA LYS 63 14.394 3.626 -6.751 494 HB2 LYS 63 HB2 LYS 63 14.683 5.663 -4.535 495 HB3 LYS 63 HB1 LYS 63 15.773 5.479 -5.904 496 HG2 LYS 63 HG2 LYS 63 12.861 6.231 -6.073 497 HG3 LYS 63 HG1 LYS 63 14.224 7.342 -6.211 498 HD2 LYS 63 HD2 LYS 63 14.974 6.253 -8.223 499 HD3 LYS 63 HD1 LYS 63 13.754 4.992 -8.042 500 HE2 LYS 63 HE2 LYS 63 13.127 6.675 -9.723 501 HE3 LYS 63 HE1 LYS 63 11.986 6.598 -8.384 502 HZ1 LYS 63 HZ1 LYS 63 12.851 8.581 -7.471 503 HZ2 LYS 63 HZ2 LYS 63 12.617 8.881 -9.120 504 HZ3 LYS 63 HZ3 LYS 63 14.174 8.592 -8.531 505 H GLU 64 HN GLU 64 13.847 2.744 -3.507 506 HA GLU 64 HA GLU 64 16.600 1.768 -3.218 507 HB2 GLU 64 HB2 GLU 64 15.607 3.091 -1.352 508 HB3 GLU 64 HB1 GLU 64 14.411 1.818 -1.143 509 HG2 GLU 64 HG2 GLU 64 16.152 1.543 0.481 510 HG3 GLU 64 HG1 GLU 64 16.232 0.228 -0.689 511 H ILE 65 HN ILE 65 13.326 0.761 -3.594 512 HA ILE 65 HA ILE 65 14.078 -2.057 -3.276 513 HB ILE 65 HB ILE 65 11.797 -2.620 -3.097 514 HG12 ILE 65 HG12 ILE 65 11.409 -0.259 -4.750 515 HG13 ILE 65 HG11 ILE 65 10.447 -1.712 -4.630 516 HG21 ILE 65 HG21 ILE 65 12.372 -0.045 -1.674 517 HG22 ILE 65 HG22 ILE 65 12.339 -1.688 -1.034 518 HG23 ILE 65 HG23 ILE 65 10.836 -0.879 -1.460 519 HD11 ILE 65 HD11 ILE 65 9.302 -0.835 -2.680 520 HD12 ILE 65 HD12 ILE 65 9.136 0.240 -4.068 521 HD13 ILE 65 HD13 ILE 65 10.265 0.639 -2.774 522 H HIS 66 HN HIS 66 12.350 -3.262 -5.046 523 HA HIS 66 HA HIS 66 13.330 -2.256 -7.644 524 HB2 HIS 66 HB2 HIS 66 14.009 -4.578 -6.950 525 HB3 HIS 66 HB1 HIS 66 12.310 -5.034 -7.032 526 HD1 HIS 66 HD1 HIS 66 14.611 -3.149 -9.399 527 HD2 HIS 66 HD2 HIS 66 11.903 -6.278 -9.390 528 HE1 HIS 66 HE1 HIS 66 14.426 -3.904 -11.767 529 HE2 HIS 66 HE2 HIS 66 12.723 -5.739 -11.767 530 H ALA 67 HN ALA 67 10.540 -2.786 -5.738 531 HA ALA 67 HA ALA 67 8.728 -1.611 -7.486 532 HB1 ALA 67 HB1 ALA 67 9.042 -3.614 -8.861 533 HB2 ALA 67 HB2 ALA 67 7.399 -3.518 -8.229 534 HB3 ALA 67 HB3 ALA 67 8.561 -4.625 -7.498 535 H LEU 68 HN LEU 68 6.964 -1.055 -6.381 536 HA LEU 68 HA LEU 68 6.104 -2.724 -4.121 537 HB2 LEU 68 HB2 LEU 68 7.059 -0.036 -3.990 538 HB3 LEU 68 HB1 LEU 68 5.339 -0.024 -3.643 539 HG LEU 68 HG LEU 68 7.322 -1.784 -2.197 540 HD11 LEU 68 HD11 LEU 68 7.158 -0.214 -0.352 541 HD12 LEU 68 HD12 LEU 68 6.113 0.833 -1.312 542 HD13 LEU 68 HD13 LEU 68 7.793 0.591 -1.787 543 HD21 LEU 68 HD21 LEU 68 5.509 -2.061 -0.593 544 HD22 LEU 68 HD22 LEU 68 5.014 -2.597 -2.200 545 HD23 LEU 68 HD23 LEU 68 4.466 -1.039 -1.581 546 H SER 69 HN SER 69 4.330 -3.627 -4.936 547 HA SER 69 HA SER 69 2.716 -2.195 -6.865 548 HB2 SER 69 HB2 SER 69 2.251 -4.956 -5.739 549 HB3 SER 69 HB1 SER 69 1.635 -4.293 -7.253 550 HG SER 69 HG SER 69 3.938 -5.581 -6.781 551 H ILE 70 HN ILE 70 1.443 -0.693 -5.904 552 HA ILE 70 HA ILE 70 -0.007 -1.290 -3.496 553 HB ILE 70 HB ILE 70 0.769 0.970 -3.831 554 HG12 ILE 70 HG12 ILE 70 -1.387 2.249 -3.634 555 HG13 ILE 70 HG11 ILE 70 -2.239 0.754 -3.993 556 HG21 ILE 70 HG21 ILE 70 -0.895 1.042 -6.333 557 HG22 ILE 70 HG22 ILE 70 0.864 1.073 -6.230 558 HG23 ILE 70 HG23 ILE 70 -0.078 2.428 -5.609 559 HD11 ILE 70 HD11 ILE 70 -2.151 1.198 -1.607 560 HD12 ILE 70 HD12 ILE 70 -0.389 1.197 -1.668 561 HD13 ILE 70 HD13 ILE 70 -1.286 -0.281 -2.019 562 H LYS 71 HN LYS 71 -1.084 -3.097 -4.097 563 HA LYS 71 HA LYS 71 -2.693 -3.231 -6.460 564 HB2 LYS 71 HB2 LYS 71 -2.964 -5.038 -4.064 565 HB3 LYS 71 HB1 LYS 71 -3.292 -5.413 -5.751 566 HG2 LYS 71 HG2 LYS 71 -0.895 -5.245 -6.240 567 HG3 LYS 71 HG1 LYS 71 -0.597 -4.913 -4.529 568 HD2 LYS 71 HD2 LYS 71 -1.920 -7.414 -5.579 569 HD3 LYS 71 HD1 LYS 71 -0.205 -7.288 -5.187 570 HE2 LYS 71 HE2 LYS 71 -0.747 -6.780 -2.875 571 HE3 LYS 71 HE1 LYS 71 -2.468 -6.811 -3.251 572 HZ1 LYS 71 HZ1 LYS 71 -1.612 -8.874 -2.217 573 HZ2 LYS 71 HZ2 LYS 71 -0.671 -9.146 -3.596 574 HZ3 LYS 71 HZ3 LYS 71 -2.356 -9.122 -3.711 575 H LYS 72 HN LYS 72 -3.133 -2.376 -3.166 576 HA LYS 72 HA LYS 72 -5.957 -1.792 -3.687 577 HB2 LYS 72 HB2 LYS 72 -4.815 -3.387 -1.467 578 HB3 LYS 72 HB1 LYS 72 -6.081 -2.241 -1.052 579 HG2 LYS 72 HG2 LYS 72 -7.164 -4.291 -1.448 580 HG3 LYS 72 HG1 LYS 72 -7.463 -3.284 -2.872 581 HD2 LYS 72 HD2 LYS 72 -5.850 -4.470 -4.151 582 HD3 LYS 72 HD1 LYS 72 -5.234 -5.305 -2.725 583 HE2 LYS 72 HE2 LYS 72 -7.990 -5.636 -3.899 584 HE3 LYS 72 HE1 LYS 72 -6.648 -6.757 -4.112 585 HZ1 LYS 72 HZ1 LYS 72 -6.644 -6.805 -1.549 586 HZ2 LYS 72 HZ2 LYS 72 -7.824 -7.688 -2.384 587 HZ3 LYS 72 HZ3 LYS 72 -8.224 -6.202 -1.686 588 H ALA 73 HN ALA 73 -6.259 0.182 -3.592 589 HA ALA 73 HA ALA 73 -4.982 1.778 -1.480 590 HB1 ALA 73 HB1 ALA 73 -5.569 2.671 -4.313 591 HB2 ALA 73 HB2 ALA 73 -3.972 2.355 -3.639 592 HB3 ALA 73 HB3 ALA 73 -4.936 3.695 -3.024 593 H GLN 74 HN GLN 74 -6.699 1.746 -0.102 594 HA GLN 74 HA GLN 74 -9.173 3.019 -1.087 595 HB2 GLN 74 HB2 GLN 74 -9.022 0.565 0.669 596 HB3 GLN 74 HB1 GLN 74 -10.495 1.469 0.345 597 HG2 GLN 74 HG2 GLN 74 -10.193 0.976 -2.071 598 HG3 GLN 74 HG1 GLN 74 -8.823 -0.048 -1.644 599 HE21 GLN 74 HE21 GLN 74 -9.820 -1.880 -2.471 600 HE22 GLN 74 HE22 GLN 74 -11.136 -2.655 -1.662 601 H THR 75 HN THR 75 -10.584 3.732 0.778 602 HA THR 75 HA THR 75 -8.981 4.605 3.057 603 HB THR 75 HB THR 75 -11.251 6.212 2.945 604 HG1 THR 75 HG1 THR 75 -10.218 6.800 0.515 605 HG21 THR 75 HG21 THR 75 -8.479 6.894 1.978 606 HG22 THR 75 HG22 THR 75 -8.939 6.794 3.675 607 HG23 THR 75 HG23 THR 75 -9.685 8.000 2.631 608 HA PRO 76 HA PRO 76 -11.615 2.490 5.914 609 HB2 PRO 76 HB2 PRO 76 -11.582 5.037 7.446 610 HB3 PRO 76 HB1 PRO 76 -11.183 3.398 7.973 611 HG2 PRO 76 HG2 PRO 76 -9.260 5.170 7.515 612 HG3 PRO 76 HG1 PRO 76 -9.063 3.473 7.036 613 HD2 PRO 76 HD2 PRO 76 -9.693 5.859 5.354 614 HD3 PRO 76 HD1 PRO 76 -8.659 4.465 4.991 615 H GLN 77 HN GLN 77 -12.647 5.410 4.354 616 HA GLN 77 HA GLN 77 -15.253 5.357 5.595 617 HB2 GLN 77 HB2 GLN 77 -15.546 7.393 4.726 618 HB3 GLN 77 HB1 GLN 77 -13.882 7.286 4.183 619 HG2 GLN 77 HG2 GLN 77 -15.875 6.113 2.379 620 HG3 GLN 77 HG1 GLN 77 -15.931 7.872 2.556 621 HE21 GLN 77 HE21 GLN 77 -13.249 5.742 2.821 622 HE22 GLN 77 HE22 GLN 77 -12.404 6.284 1.408 623 H GLN 78 HN GLN 78 -13.853 3.980 2.683 624 HA GLN 78 HA GLN 78 -16.451 2.775 2.035 625 HB2 GLN 78 HB2 GLN 78 -13.814 2.426 0.612 626 HB3 GLN 78 HB1 GLN 78 -15.397 1.931 0.026 627 HG2 GLN 78 HG2 GLN 78 -15.617 3.888 -0.993 628 HG3 GLN 78 HG1 GLN 78 -15.471 4.717 0.565 629 HE21 GLN 78 HE21 GLN 78 -12.901 3.755 1.138 630 HE22 GLN 78 HE22 GLN 78 -11.798 4.645 0.143 631 H TRP 79 HN TRP 79 -13.318 2.197 3.343 632 HA TRP 79 HA TRP 79 -13.614 -0.638 3.676 633 HB2 TRP 79 HB2 TRP 79 -11.564 1.306 4.038 634 HB3 TRP 79 HB1 TRP 79 -11.798 0.467 5.572 635 HD1 TRP 79 HD1 TRP 79 -11.469 -0.548 1.873 636 HE1 TRP 79 HE1 TRP 79 -10.001 -2.638 1.753 637 HE3 TRP 79 HE3 TRP 79 -10.655 -1.216 6.857 638 HZ2 TRP 79 HZ2 TRP 79 -8.633 -4.370 3.566 639 HZ3 TRP 79 HZ3 TRP 79 -9.270 -3.111 7.588 640 HH2 TRP 79 HH2 TRP 79 -8.287 -4.652 5.975 641 H LYS 80 HN LYS 80 -15.314 1.785 4.801 642 HA LYS 80 HA LYS 80 -15.380 1.846 7.483 643 HB2 LYS 80 HB2 LYS 80 -17.787 2.375 7.393 644 HB3 LYS 80 HB1 LYS 80 -16.824 3.248 6.211 645 HG2 LYS 80 HG2 LYS 80 -17.598 1.764 4.452 646 HG3 LYS 80 HG1 LYS 80 -18.521 0.828 5.631 647 HD2 LYS 80 HD2 LYS 80 -19.919 2.737 6.116 648 HD3 LYS 80 HD1 LYS 80 -18.944 3.760 5.061 649 HE2 LYS 80 HE2 LYS 80 -21.025 3.069 3.978 650 HE3 LYS 80 HE1 LYS 80 -19.612 2.442 3.133 651 HZ1 LYS 80 HZ1 LYS 80 -21.269 0.893 5.052 652 HZ2 LYS 80 HZ2 LYS 80 -19.965 0.304 4.152 653 HZ3 LYS 80 HZ3 LYS 80 -21.379 0.790 3.367 654 HA PRO 81 HA PRO 81 -17.789 -2.216 8.181 655 HB2 PRO 81 HB2 PRO 81 -17.209 -4.016 5.984 656 HB3 PRO 81 HB1 PRO 81 -18.780 -3.505 6.604 657 HG2 PRO 81 HG2 PRO 81 -17.836 -2.775 4.161 658 HG3 PRO 81 HG1 PRO 81 -18.951 -1.778 5.110 659 HD2 PRO 81 HD2 PRO 81 -15.978 -1.534 4.812 660 HD3 PRO 81 HD1 PRO 81 -17.215 -0.262 4.798 661 HA PRO 82 HA PRO 82 -13.636 -3.718 9.108 662 HB2 PRO 82 HB2 PRO 82 -13.931 -3.894 11.763 663 HB3 PRO 82 HB1 PRO 82 -13.731 -2.334 10.958 664 HG2 PRO 82 HG2 PRO 82 -16.172 -3.575 12.104 665 HG3 PRO 82 HG1 PRO 82 -15.736 -1.864 11.967 666 HD2 PRO 82 HD2 PRO 82 -17.460 -3.326 10.260 667 HD3 PRO 82 HD1 PRO 82 -16.848 -1.681 10.004 668 H SER 83 HN SER 83 -12.875 -5.788 9.259 669 HA SER 83 HA SER 83 -14.486 -7.788 10.600 670 HB2 SER 83 HB2 SER 83 -15.223 -7.774 8.187 671 HB3 SER 83 HB1 SER 83 -13.574 -8.208 7.741 672 HG SER 83 HG SER 83 -14.216 -9.947 9.548 673 H GLN 84 HN GLN 84 -11.966 -6.361 10.855 674 HA GLN 84 HA GLN 84 -10.302 -8.545 11.581 675 HB2 GLN 84 HB2 GLN 84 -8.502 -8.103 10.097 676 HB3 GLN 84 HB1 GLN 84 -9.957 -8.300 9.152 677 HG2 GLN 84 HG2 GLN 84 -10.101 -5.993 8.715 678 HG3 GLN 84 HG1 GLN 84 -8.840 -5.625 9.891 679 HE21 GLN 84 HE21 GLN 84 -8.656 -8.325 7.696 680 HE22 GLN 84 HE22 GLN 84 -7.377 -7.700 6.730 681 H ASP 85 HN ASP 85 -10.473 -5.028 11.011 682 HA ASP 85 HA ASP 85 -8.417 -4.415 12.907 683 HB2 ASP 85 HB2 ASP 85 -8.902 -2.874 11.061 684 HB3 ASP 85 HB1 ASP 85 -10.538 -2.644 11.668 685 H SER 86 HN SER 86 -11.610 -5.244 13.009 686 HA SER 86 HA SER 86 -12.520 -4.018 15.374 687 HB2 SER 86 HB2 SER 86 -14.213 -5.910 15.248 688 HB3 SER 86 HB1 SER 86 -14.080 -4.909 13.799 689 HG SER 86 HG SER 86 -13.497 -7.571 14.154 690 H ALA 87 HN ALA 87 -10.319 -6.557 14.751 691 HA ALA 87 HA ALA 87 -10.415 -7.373 17.572 692 HB1 ALA 87 HB1 ALA 87 -9.504 -9.530 16.894 693 HB2 ALA 87 HB2 ALA 87 -9.490 -8.999 15.212 694 HB3 ALA 87 HB3 ALA 87 -11.022 -9.195 16.062 695 H THR 88 HN THR 88 -8.844 -5.383 15.715 696 HA THR 88 HA THR 88 -6.118 -6.181 16.389 697 HB THR 88 HB THR 88 -6.961 -3.653 14.959 698 HG1 THR 88 HG1 THR 88 -6.939 -6.308 14.108 699 HG21 THR 88 HG21 THR 88 -4.423 -5.294 14.829 700 HG22 THR 88 HG22 THR 88 -4.614 -3.782 15.715 701 HG23 THR 88 HG23 THR 88 -4.739 -3.794 13.957 702 H LEU 89 HN LEU 89 -8.550 -4.852 17.995 703 HA LEU 89 HA LEU 89 -6.841 -2.997 19.497 704 HB2 LEU 89 HB2 LEU 89 -8.924 -1.714 20.016 705 HB3 LEU 89 HB1 LEU 89 -8.431 -1.653 18.337 706 HG LEU 89 HG LEU 89 -10.159 -3.614 18.060 707 HD11 LEU 89 HD11 LEU 89 -12.079 -3.404 19.545 708 HD12 LEU 89 HD12 LEU 89 -11.204 -2.223 20.521 709 HD13 LEU 89 HD13 LEU 89 -10.636 -3.891 20.434 710 HD21 LEU 89 HD21 LEU 89 -10.961 -0.734 18.431 711 HD22 LEU 89 HD22 LEU 89 -11.903 -1.957 17.580 712 HD23 LEU 89 HD23 LEU 89 -10.328 -1.467 16.956 713 H THR 90 HN THR 90 -8.530 -5.832 19.475 714 HA THR 90 HA THR 90 -9.366 -5.766 22.244 715 HB THR 90 HB THR 90 -9.950 -8.214 21.745 716 HG1 THR 90 HG1 THR 90 -9.743 -8.893 19.703 717 HG21 THR 90 HG21 THR 90 -11.991 -7.588 20.545 718 HG22 THR 90 HG22 THR 90 -11.272 -6.034 20.123 719 HG23 THR 90 HG23 THR 90 -11.619 -6.416 21.811 720 H LYS 91 HN LYS 91 -6.644 -6.617 20.447 721 HA LYS 91 HA LYS 91 -5.247 -7.332 22.853 722 HB2 LYS 91 HB2 LYS 91 -4.255 -9.418 21.659 723 HB3 LYS 91 HB1 LYS 91 -5.787 -9.541 22.499 724 HG2 LYS 91 HG2 LYS 91 -5.830 -10.729 20.382 725 HG3 LYS 91 HG1 LYS 91 -6.982 -9.398 20.387 726 HD2 LYS 91 HD2 LYS 91 -5.640 -8.096 18.962 727 HD3 LYS 91 HD1 LYS 91 -4.224 -9.116 19.229 728 HE2 LYS 91 HE2 LYS 91 -6.736 -10.121 17.914 729 HE3 LYS 91 HE1 LYS 91 -5.411 -9.391 17.008 730 HZ1 LYS 91 HZ1 LYS 91 -3.932 -11.092 17.871 731 HZ2 LYS 91 HZ2 LYS 91 -5.231 -11.790 17.043 732 HZ3 LYS 91 HZ3 LYS 91 -5.206 -11.800 18.733 733 H ASP 92 HN ASP 92 -5.352 -5.522 20.334 734 HA ASP 92 HA ASP 92 -3.879 -4.125 19.343 735 HB2 ASP 92 HB2 ASP 92 -1.949 -5.513 21.182 736 HB3 ASP 92 HB1 ASP 92 -1.423 -4.282 20.040 737 H ALA 93 HN ALA 93 -2.517 -7.421 19.481 738 HA ALA 93 HA ALA 93 -2.024 -7.219 16.592 739 HB1 ALA 93 HB1 ALA 93 -0.001 -8.249 18.574 740 HB2 ALA 93 HB2 ALA 93 0.086 -6.705 17.727 741 HB3 ALA 93 HB3 ALA 93 0.179 -8.215 16.822 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 20.287 -3.193 -1.144 2 H2 MET 1 HT2 MET 1 21.146 -4.647 -1.128 3 H3 MET 1 HT3 MET 1 20.876 -3.808 0.315 4 HA MET 1 HA MET 1 18.776 -5.021 -1.380 5 HB2 MET 1 HB2 MET 1 18.495 -6.647 0.439 6 HB3 MET 1 HB1 MET 1 20.099 -6.748 -0.267 7 HG2 MET 1 HG2 MET 1 19.533 -5.193 2.235 8 HG3 MET 1 HG1 MET 1 19.936 -6.908 2.250 9 HE1 MET 1 HE1 MET 1 22.070 -7.278 0.021 10 HE2 MET 1 HE2 MET 1 22.263 -7.902 1.658 11 HE3 MET 1 HE3 MET 1 23.566 -6.985 0.904 12 H VAL 2 HN VAL 2 16.846 -5.437 0.258 13 HA VAL 2 HA VAL 2 16.487 -3.354 2.199 14 HB VAL 2 HB VAL 2 15.946 -2.141 0.129 15 HG11 VAL 2 HG11 VAL 2 13.823 -4.244 -0.255 16 HG12 VAL 2 HG12 VAL 2 15.242 -3.988 -1.267 17 HG13 VAL 2 HG13 VAL 2 13.977 -2.765 -1.199 18 HG21 VAL 2 HG21 VAL 2 13.481 -2.717 1.769 19 HG22 VAL 2 HG22 VAL 2 13.790 -1.274 0.805 20 HG23 VAL 2 HG23 VAL 2 14.773 -1.607 2.229 21 H THR 3 HN THR 3 14.899 -3.852 3.665 22 HA THR 3 HA THR 3 13.580 -6.454 3.272 23 HB THR 3 HB THR 3 15.137 -6.479 5.139 24 HG1 THR 3 HG1 THR 3 13.756 -7.559 6.335 25 HG21 THR 3 HG21 THR 3 15.199 -4.119 5.690 26 HG22 THR 3 HG22 THR 3 14.763 -5.055 7.119 27 HG23 THR 3 HG23 THR 3 13.521 -4.175 6.230 28 H LYS 4 HN LYS 4 11.427 -6.711 4.057 29 HA LYS 4 HA LYS 4 9.771 -4.424 3.526 30 HB2 LYS 4 HB2 LYS 4 7.964 -5.881 3.555 31 HB3 LYS 4 HB1 LYS 4 9.264 -6.979 3.111 32 HG2 LYS 4 HG2 LYS 4 9.422 -7.817 5.334 33 HG3 LYS 4 HG1 LYS 4 8.331 -6.562 5.938 34 HD2 LYS 4 HD2 LYS 4 6.503 -7.536 4.642 35 HD3 LYS 4 HD1 LYS 4 7.594 -8.773 4.010 36 HE2 LYS 4 HE2 LYS 4 7.917 -9.693 6.198 37 HE3 LYS 4 HE1 LYS 4 7.038 -8.359 6.943 38 HZ1 LYS 4 HZ1 LYS 4 5.838 -10.318 5.067 39 HZ2 LYS 4 HZ2 LYS 4 5.025 -9.112 5.931 40 HZ3 LYS 4 HZ3 LYS 4 5.729 -10.409 6.752 41 H GLU 5 HN GLU 5 11.503 -5.508 6.096 42 HA GLU 5 HA GLU 5 9.643 -5.205 8.233 43 HB2 GLU 5 HB2 GLU 5 12.649 -5.383 8.139 44 HB3 GLU 5 HB1 GLU 5 11.744 -5.292 9.646 45 HG2 GLU 5 HG2 GLU 5 11.390 -7.449 7.580 46 HG3 GLU 5 HG1 GLU 5 12.455 -7.581 8.976 47 H GLN 6 HN GLN 6 12.039 -3.257 6.694 48 HA GLN 6 HA GLN 6 11.591 -1.003 8.415 49 HB2 GLN 6 HB2 GLN 6 13.111 0.180 6.934 50 HB3 GLN 6 HB1 GLN 6 13.767 -1.395 7.340 51 HG2 GLN 6 HG2 GLN 6 14.176 -1.562 5.165 52 HG3 GLN 6 HG1 GLN 6 12.461 -1.971 5.042 53 HE21 GLN 6 HE21 GLN 6 11.019 -0.410 4.238 54 HE22 GLN 6 HE22 GLN 6 11.570 1.009 3.400 55 H VAL 7 HN VAL 7 10.258 -2.374 5.562 56 HA VAL 7 HA VAL 7 9.250 0.031 4.363 57 HB VAL 7 HB VAL 7 8.537 -2.888 3.997 58 HG11 VAL 7 HG11 VAL 7 6.585 -1.554 3.493 59 HG12 VAL 7 HG12 VAL 7 7.279 -2.226 2.016 60 HG13 VAL 7 HG13 VAL 7 7.540 -0.529 2.423 61 HG21 VAL 7 HG21 VAL 7 10.747 -2.288 3.191 62 HG22 VAL 7 HG22 VAL 7 10.062 -0.963 2.248 63 HG23 VAL 7 HG23 VAL 7 9.670 -2.634 1.839 64 H GLU 8 HN GLU 8 8.031 -2.515 6.346 65 HA GLU 8 HA GLU 8 5.358 -1.750 6.584 66 HB2 GLU 8 HB2 GLU 8 7.304 -3.547 7.794 67 HB3 GLU 8 HB1 GLU 8 5.992 -3.078 8.890 68 HG2 GLU 8 HG2 GLU 8 4.354 -3.833 7.220 69 HG3 GLU 8 HG1 GLU 8 5.674 -4.318 6.163 70 H ALA 9 HN ALA 9 8.226 -0.979 8.496 71 HA ALA 9 HA ALA 9 6.723 0.386 10.529 72 HB1 ALA 9 HB1 ALA 9 9.695 0.334 9.993 73 HB2 ALA 9 HB2 ALA 9 8.823 -0.735 11.090 74 HB3 ALA 9 HB3 ALA 9 8.923 0.992 11.435 75 H SER 10 HN SER 10 8.189 1.068 7.513 76 HA SER 10 HA SER 10 8.422 3.925 7.961 77 HB2 SER 10 HB2 SER 10 8.592 2.289 5.425 78 HB3 SER 10 HB1 SER 10 8.847 4.032 5.491 79 HG SER 10 HG SER 10 10.315 2.114 6.987 80 H LEU 11 HN LEU 11 6.255 1.867 6.049 81 HA LEU 11 HA LEU 11 4.607 3.976 5.177 82 HB2 LEU 11 HB2 LEU 11 4.337 1.005 5.279 83 HB3 LEU 11 HB1 LEU 11 2.925 1.974 4.909 84 HG LEU 11 HG LEU 11 4.085 2.943 2.970 85 HD11 LEU 11 HD11 LEU 11 6.203 1.988 2.191 86 HD12 LEU 11 HD12 LEU 11 6.324 1.048 3.679 87 HD13 LEU 11 HD13 LEU 11 6.387 2.809 3.740 88 HD21 LEU 11 HD21 LEU 11 4.084 0.932 1.581 89 HD22 LEU 11 HD22 LEU 11 2.706 0.966 2.682 90 HD23 LEU 11 HD23 LEU 11 4.090 -0.069 3.033 91 H THR 12 HN THR 12 4.454 1.893 8.022 92 HA THR 12 HA THR 12 1.893 2.744 8.878 93 HB THR 12 HB THR 12 4.172 1.692 10.573 94 HG1 THR 12 HG1 THR 12 3.796 0.051 9.220 95 HG21 THR 12 HG21 THR 12 2.426 0.952 12.106 96 HG22 THR 12 HG22 THR 12 1.195 1.650 11.060 97 HG23 THR 12 HG23 THR 12 2.344 2.701 11.884 98 H SER 13 HN SER 13 4.978 4.257 8.981 99 HA SER 13 HA SER 13 4.252 6.061 11.150 100 HB2 SER 13 HB2 SER 13 6.737 5.866 9.447 101 HB3 SER 13 HB1 SER 13 6.534 6.982 10.798 102 HG SER 13 HG SER 13 6.736 4.164 10.824 103 H LYS 14 HN LYS 14 4.784 6.124 7.672 104 HA LYS 14 HA LYS 14 4.406 9.004 7.575 105 HB2 LYS 14 HB2 LYS 14 6.177 7.879 6.236 106 HB3 LYS 14 HB1 LYS 14 4.921 7.043 5.335 107 HG2 LYS 14 HG2 LYS 14 4.056 9.239 4.590 108 HG3 LYS 14 HG1 LYS 14 5.415 10.010 5.406 109 HD2 LYS 14 HD2 LYS 14 5.638 7.972 3.194 110 HD3 LYS 14 HD1 LYS 14 5.805 9.714 2.994 111 HE2 LYS 14 HE2 LYS 14 7.561 7.980 4.729 112 HE3 LYS 14 HE1 LYS 14 7.976 8.558 3.118 113 HZ1 LYS 14 HZ1 LYS 14 7.761 10.848 3.986 114 HZ2 LYS 14 HZ2 LYS 14 8.995 9.964 4.737 115 HZ3 LYS 14 HZ3 LYS 14 7.529 10.217 5.539 116 H LEU 15 HN LEU 15 2.650 6.115 7.100 117 HA LEU 15 HA LEU 15 0.515 7.536 5.636 118 HB2 LEU 15 HB2 LEU 15 1.698 4.843 5.358 119 HB3 LEU 15 HB1 LEU 15 -0.043 4.935 5.188 120 HG LEU 15 HG LEU 15 0.090 6.252 3.243 121 HD11 LEU 15 HD11 LEU 15 2.202 7.214 2.399 122 HD12 LEU 15 HD12 LEU 15 2.994 6.724 3.898 123 HD13 LEU 15 HD13 LEU 15 1.688 7.912 3.935 124 HD21 LEU 15 HD21 LEU 15 2.397 4.317 3.157 125 HD22 LEU 15 HD22 LEU 15 1.552 4.980 1.760 126 HD23 LEU 15 HD23 LEU 15 0.701 3.923 2.884 127 H LYS 16 HN LYS 16 1.419 6.272 8.516 128 HA LYS 16 HA LYS 16 0.306 6.357 10.487 129 HB2 LYS 16 HB2 LYS 16 -2.213 6.737 8.848 130 HB3 LYS 16 HB1 LYS 16 -2.089 6.924 10.591 131 HG2 LYS 16 HG2 LYS 16 -0.857 8.888 10.420 132 HG3 LYS 16 HG1 LYS 16 -0.388 8.561 8.752 133 HD2 LYS 16 HD2 LYS 16 -2.007 10.292 8.678 134 HD3 LYS 16 HD1 LYS 16 -2.814 8.824 8.133 135 HE2 LYS 16 HE2 LYS 16 -3.770 8.541 10.383 136 HE3 LYS 16 HE1 LYS 16 -2.987 10.038 10.890 137 HZ1 LYS 16 HZ1 LYS 16 -5.143 10.667 10.338 138 HZ2 LYS 16 HZ2 LYS 16 -5.198 9.683 8.968 139 HZ3 LYS 16 HZ3 LYS 16 -4.258 11.087 8.955 140 HA PRO 17 HA PRO 17 -0.625 2.110 10.921 141 HB2 PRO 17 HB2 PRO 17 -1.732 2.004 13.379 142 HB3 PRO 17 HB1 PRO 17 -0.025 2.388 13.124 143 HG2 PRO 17 HG2 PRO 17 -2.323 4.233 13.644 144 HG3 PRO 17 HG1 PRO 17 -0.687 4.262 14.329 145 HD2 PRO 17 HD2 PRO 17 -1.473 5.876 12.284 146 HD3 PRO 17 HD1 PRO 17 0.198 5.316 12.489 147 H ILE 18 HN ILE 18 -2.443 2.899 9.182 148 HA ILE 18 HA ILE 18 -5.091 2.242 10.229 149 HB ILE 18 HB ILE 18 -4.491 2.750 7.336 150 HG12 ILE 18 HG12 ILE 18 -3.490 4.610 8.686 151 HG13 ILE 18 HG11 ILE 18 -4.790 5.126 7.621 152 HG21 ILE 18 HG21 ILE 18 -6.697 1.920 7.894 153 HG22 ILE 18 HG22 ILE 18 -6.807 3.594 7.352 154 HG23 ILE 18 HG23 ILE 18 -6.917 3.216 9.071 155 HD11 ILE 18 HD11 ILE 18 -6.319 5.123 9.550 156 HD12 ILE 18 HD12 ILE 18 -4.972 6.244 9.728 157 HD13 ILE 18 HD13 ILE 18 -4.959 4.705 10.594 158 H HIS 19 HN HIS 19 -3.685 1.300 7.075 159 HA HIS 19 HA HIS 19 -3.493 -1.466 7.923 160 HB2 HIS 19 HB2 HIS 19 -5.839 -1.332 7.253 161 HB3 HIS 19 HB1 HIS 19 -5.380 -0.616 5.720 162 HD1 HIS 19 HD1 HIS 19 -5.462 -3.899 7.537 163 HD2 HIS 19 HD2 HIS 19 -4.568 -2.419 3.750 164 HE1 HIS 19 HE1 HIS 19 -5.523 -5.879 5.987 165 HE2 HIS 19 HE2 HIS 19 -4.706 -5.007 3.768 166 H LEU 20 HN LEU 20 -1.378 -1.490 7.455 167 HA LEU 20 HA LEU 20 -0.634 -1.145 4.620 168 HB2 LEU 20 HB2 LEU 20 1.231 -0.907 6.993 169 HB3 LEU 20 HB1 LEU 20 1.638 -0.640 5.317 170 HG LEU 20 HG LEU 20 1.547 1.488 6.307 171 HD11 LEU 20 HD11 LEU 20 -0.291 2.609 5.169 172 HD12 LEU 20 HD12 LEU 20 -1.073 1.051 4.897 173 HD13 LEU 20 HD13 LEU 20 0.482 1.403 4.139 174 HD21 LEU 20 HD21 LEU 20 0.402 0.937 8.358 175 HD22 LEU 20 HD22 LEU 20 -1.116 0.729 7.486 176 HD23 LEU 20 HD23 LEU 20 -0.368 2.323 7.587 177 H GLU 21 HN GLU 21 -0.106 -3.002 3.701 178 HA GLU 21 HA GLU 21 0.919 -5.222 5.300 179 HB2 GLU 21 HB2 GLU 21 -1.451 -5.396 3.419 180 HB3 GLU 21 HB1 GLU 21 -0.639 -6.777 4.134 181 HG2 GLU 21 HG2 GLU 21 -2.003 -4.623 5.726 182 HG3 GLU 21 HG1 GLU 21 -2.774 -6.129 5.232 183 H VAL 22 HN VAL 22 2.896 -5.155 4.302 184 HA VAL 22 HA VAL 22 2.913 -5.309 1.382 185 HB VAL 22 HB VAL 22 5.260 -4.776 1.453 186 HG11 VAL 22 HG11 VAL 22 5.139 -2.545 2.574 187 HG12 VAL 22 HG12 VAL 22 3.562 -3.019 3.215 188 HG13 VAL 22 HG13 VAL 22 3.808 -2.893 1.474 189 HG21 VAL 22 HG21 VAL 22 5.926 -5.979 3.445 190 HG22 VAL 22 HG22 VAL 22 4.987 -4.883 4.454 191 HG23 VAL 22 HG23 VAL 22 6.403 -4.287 3.589 192 H ILE 23 HN ILE 23 3.720 -7.022 0.301 193 HA ILE 23 HA ILE 23 4.338 -9.401 1.892 194 HB ILE 23 HB ILE 23 3.094 -9.397 -0.845 195 HG12 ILE 23 HG12 ILE 23 1.581 -8.333 0.793 196 HG13 ILE 23 HG11 ILE 23 0.945 -9.865 0.202 197 HG21 ILE 23 HG21 ILE 23 3.390 -11.564 1.221 198 HG22 ILE 23 HG22 ILE 23 4.288 -11.428 -0.291 199 HG23 ILE 23 HG23 ILE 23 2.551 -11.733 -0.321 200 HD11 ILE 23 HD11 ILE 23 0.581 -9.611 2.588 201 HD12 ILE 23 HD12 ILE 23 2.313 -9.411 2.844 202 HD13 ILE 23 HD13 ILE 23 1.683 -10.951 2.264 203 H ASP 24 HN ASP 24 6.452 -9.280 1.804 204 HA ASP 24 HA ASP 24 8.061 -8.717 -0.434 205 HB2 ASP 24 HB2 ASP 24 9.060 -8.600 1.743 206 HB3 ASP 24 HB1 ASP 24 8.662 -10.283 2.077 207 H ILE 25 HN ILE 25 8.059 -9.811 -2.251 208 HA ILE 25 HA ILE 25 7.604 -12.697 -2.261 209 HB ILE 25 HB ILE 25 7.988 -10.825 -4.603 210 HG12 ILE 25 HG12 ILE 25 5.366 -11.835 -3.497 211 HG13 ILE 25 HG11 ILE 25 6.039 -10.259 -3.091 212 HG21 ILE 25 HG21 ILE 25 8.355 -13.190 -5.117 213 HG22 ILE 25 HG22 ILE 25 6.899 -12.579 -5.901 214 HG23 ILE 25 HG23 ILE 25 6.767 -13.580 -4.457 215 HD11 ILE 25 HD11 ILE 25 5.365 -11.188 -5.869 216 HD12 ILE 25 HD12 ILE 25 5.946 -9.588 -5.402 217 HD13 ILE 25 HD13 ILE 25 4.360 -10.144 -4.866 218 H SER 26 HN SER 26 10.205 -10.505 -2.240 219 HA SER 26 HA SER 26 11.976 -12.460 -3.517 220 HB2 SER 26 HB2 SER 26 13.029 -10.361 -4.653 221 HB3 SER 26 HB1 SER 26 11.571 -11.083 -5.340 222 HG SER 26 HG SER 26 10.352 -9.517 -4.237 223 H GLY 27 HN GLY 27 12.700 -9.110 -2.649 224 HA2 GLY 27 HA2 GLY 27 13.758 -9.319 -0.160 225 HA3 GLY 27 HA1 GLY 27 15.008 -10.001 -1.188 226 H GLY 28 HN GLY 28 16.407 -8.665 -2.130 227 HA2 GLY 28 HA2 GLY 28 15.825 -5.776 -1.941 228 HA3 GLY 28 HA1 GLY 28 17.401 -6.458 -1.587 229 H CYS 29 HN CYS 29 17.522 -8.272 -3.756 230 HA CYS 29 HA CYS 29 18.148 -6.390 -5.894 231 HB2 CYS 29 HB2 CYS 29 18.750 -9.347 -5.659 232 HB3 CYS 29 HB1 CYS 29 19.381 -8.263 -6.894 233 HG CYS 29 HG CYS 29 21.555 -8.487 -5.382 234 H GLY 30 HN GLY 30 16.090 -9.061 -5.118 235 HA2 GLY 30 HA2 GLY 30 14.827 -9.115 -7.728 236 HA3 GLY 30 HA1 GLY 30 14.409 -10.108 -6.334 237 H SER 31 HN SER 31 14.747 -7.334 -4.971 238 HA SER 31 HA SER 31 12.521 -7.199 -3.667 239 HB2 SER 31 HB2 SER 31 14.246 -5.616 -3.266 240 HB3 SER 31 HB1 SER 31 14.001 -4.847 -4.830 241 HG SER 31 HG SER 31 12.465 -4.685 -2.489 242 H SER 32 HN SER 32 10.599 -7.528 -4.195 243 HA SER 32 HA SER 32 9.111 -5.535 -5.696 244 HB2 SER 32 HB2 SER 32 8.820 -8.509 -6.238 245 HB3 SER 32 HB1 SER 32 7.867 -7.220 -6.972 246 HG SER 32 HG SER 32 10.667 -7.646 -7.273 247 H PHE 33 HN PHE 33 7.407 -4.973 -4.438 248 HA PHE 33 HA PHE 33 6.591 -6.904 -2.365 249 HB2 PHE 33 HB2 PHE 33 6.752 -3.897 -2.126 250 HB3 PHE 33 HB1 PHE 33 6.146 -4.984 -0.883 251 HD1 PHE 33 HD1 PHE 33 7.708 -6.645 0.138 252 HD2 PHE 33 HD2 PHE 33 9.054 -3.477 -2.357 253 HE1 PHE 33 HE1 PHE 33 9.980 -6.919 1.020 254 HE2 PHE 33 HE2 PHE 33 11.332 -3.750 -1.476 255 HZ PHE 33 HZ PHE 33 11.797 -5.474 0.213 256 H GLU 34 HN GLU 34 4.484 -7.264 -2.074 257 HA GLU 34 HA GLU 34 2.549 -5.733 -3.668 258 HB2 GLU 34 HB2 GLU 34 2.123 -8.230 -2.002 259 HB3 GLU 34 HB1 GLU 34 0.980 -7.521 -3.128 260 HG2 GLU 34 HG2 GLU 34 3.593 -8.240 -4.261 261 HG3 GLU 34 HG1 GLU 34 2.599 -9.586 -3.708 262 H VAL 35 HN VAL 35 1.880 -3.936 -2.582 263 HA VAL 35 HA VAL 35 1.545 -4.189 0.328 264 HB VAL 35 HB VAL 35 3.163 -2.493 -0.341 265 HG11 VAL 35 HG11 VAL 35 0.870 -1.090 -1.686 266 HG12 VAL 35 HG12 VAL 35 2.195 -1.906 -2.514 267 HG13 VAL 35 HG13 VAL 35 2.519 -0.485 -1.519 268 HG21 VAL 35 HG21 VAL 35 0.647 -1.341 0.838 269 HG22 VAL 35 HG22 VAL 35 2.251 -0.619 0.945 270 HG23 VAL 35 HG23 VAL 35 1.928 -2.170 1.718 271 H GLU 36 HN GLU 36 -0.304 -3.789 1.329 272 HA GLU 36 HA GLU 36 -2.574 -2.739 -0.219 273 HB2 GLU 36 HB2 GLU 36 -2.698 -4.203 2.425 274 HB3 GLU 36 HB1 GLU 36 -4.047 -3.768 1.392 275 HG2 GLU 36 HG2 GLU 36 -3.145 -5.337 -0.317 276 HG3 GLU 36 HG1 GLU 36 -1.948 -5.852 0.873 277 H VAL 37 HN VAL 37 -2.722 -0.614 0.150 278 HA VAL 37 HA VAL 37 -2.085 0.363 2.855 279 HB VAL 37 HB VAL 37 -2.109 1.958 0.281 280 HG11 VAL 37 HG11 VAL 37 -1.157 2.699 3.039 281 HG12 VAL 37 HG12 VAL 37 -2.632 3.275 2.265 282 HG13 VAL 37 HG13 VAL 37 -1.059 3.714 1.599 283 HG21 VAL 37 HG21 VAL 37 0.346 2.025 0.521 284 HG22 VAL 37 HG22 VAL 37 -0.268 0.399 0.224 285 HG23 VAL 37 HG23 VAL 37 0.223 0.874 1.849 286 H VAL 38 HN VAL 38 -3.582 1.332 3.970 287 HA VAL 38 HA VAL 38 -5.947 2.420 2.613 288 HB VAL 38 HB VAL 38 -5.925 1.055 5.317 289 HG11 VAL 38 HG11 VAL 38 -8.347 1.370 5.295 290 HG12 VAL 38 HG12 VAL 38 -8.217 2.257 3.776 291 HG13 VAL 38 HG13 VAL 38 -7.492 2.913 5.244 292 HG21 VAL 38 HG21 VAL 38 -7.147 0.174 2.706 293 HG22 VAL 38 HG22 VAL 38 -7.381 -0.625 4.259 294 HG23 VAL 38 HG23 VAL 38 -5.778 -0.576 3.525 295 H SER 39 HN SER 39 -5.315 4.551 2.666 296 HA SER 39 HA SER 39 -5.137 5.748 5.282 297 HB2 SER 39 HB2 SER 39 -2.798 5.049 4.640 298 HB3 SER 39 HB1 SER 39 -2.901 6.239 3.339 299 HG SER 39 HG SER 39 -2.484 6.603 6.010 300 H GLU 40 HN GLU 40 -4.821 8.129 5.092 301 HA GLU 40 HA GLU 40 -7.213 9.040 3.986 302 HB2 GLU 40 HB2 GLU 40 -6.525 11.242 4.796 303 HB3 GLU 40 HB1 GLU 40 -6.224 9.975 5.971 304 HG2 GLU 40 HG2 GLU 40 -3.884 9.975 5.482 305 HG3 GLU 40 HG1 GLU 40 -4.123 11.116 4.160 306 H GLN 41 HN GLN 41 -4.487 8.484 2.195 307 HA GLN 41 HA GLN 41 -4.728 10.911 0.537 308 HB2 GLN 41 HB2 GLN 41 -3.021 8.558 -0.236 309 HB3 GLN 41 HB1 GLN 41 -2.809 10.252 -0.654 310 HG2 GLN 41 HG2 GLN 41 -1.114 9.806 0.874 311 HG3 GLN 41 HG1 GLN 41 -2.358 10.620 1.830 312 HE21 GLN 41 HE21 GLN 41 -2.001 9.737 3.770 313 HE22 GLN 41 HE22 GLN 41 -2.175 8.048 4.115 314 H PHE 42 HN PHE 42 -6.298 8.194 0.955 315 HA PHE 42 HA PHE 42 -6.965 7.790 -1.871 316 HB2 PHE 42 HB2 PHE 42 -7.259 5.982 0.535 317 HB3 PHE 42 HB1 PHE 42 -7.708 5.545 -1.117 318 HD1 PHE 42 HD1 PHE 42 -5.176 7.035 -2.280 319 HD2 PHE 42 HD2 PHE 42 -5.778 4.120 0.763 320 HE1 PHE 42 HE1 PHE 42 -2.891 6.197 -2.631 321 HE2 PHE 42 HE2 PHE 42 -3.501 3.288 0.417 322 HZ PHE 42 HZ PHE 42 -2.052 4.323 -1.278 323 H GLU 43 HN GLU 43 -7.951 9.826 0.083 324 HA GLU 43 HA GLU 43 -10.500 8.835 1.089 325 HB2 GLU 43 HB2 GLU 43 -9.053 10.285 2.468 326 HB3 GLU 43 HB1 GLU 43 -9.252 11.580 1.298 327 HG2 GLU 43 HG2 GLU 43 -10.675 11.898 3.243 328 HG3 GLU 43 HG1 GLU 43 -11.627 11.679 1.775 329 H GLY 44 HN GLY 44 -12.265 8.786 -0.192 330 HA2 GLY 44 HA2 GLY 44 -13.588 9.217 -2.034 331 HA3 GLY 44 HA1 GLY 44 -13.407 10.895 -1.541 332 H LYS 45 HN LYS 45 -10.715 8.949 -2.559 333 HA LYS 45 HA LYS 45 -10.185 10.840 -4.723 334 HB2 LYS 45 HB2 LYS 45 -8.444 8.761 -3.390 335 HB3 LYS 45 HB1 LYS 45 -7.902 9.917 -4.567 336 HG2 LYS 45 HG2 LYS 45 -9.096 10.784 -1.973 337 HG3 LYS 45 HG1 LYS 45 -7.371 10.460 -2.171 338 HD2 LYS 45 HD2 LYS 45 -7.251 12.147 -3.936 339 HD3 LYS 45 HD1 LYS 45 -8.979 12.460 -3.763 340 HE2 LYS 45 HE2 LYS 45 -7.038 12.766 -1.488 341 HE3 LYS 45 HE1 LYS 45 -7.399 14.078 -2.607 342 HZ1 LYS 45 HZ1 LYS 45 -9.482 12.651 -1.046 343 HZ2 LYS 45 HZ2 LYS 45 -9.652 14.084 -1.932 344 HZ3 LYS 45 HZ3 LYS 45 -8.729 14.072 -0.518 345 H ARG 46 HN ARG 46 -9.117 9.853 -6.702 346 HA ARG 46 HA ARG 46 -10.539 7.395 -7.416 347 HB2 ARG 46 HB2 ARG 46 -9.207 9.517 -9.071 348 HB3 ARG 46 HB1 ARG 46 -9.560 7.941 -9.745 349 HG2 ARG 46 HG2 ARG 46 -11.343 9.364 -10.358 350 HG3 ARG 46 HG1 ARG 46 -11.953 8.282 -9.107 351 HD2 ARG 46 HD2 ARG 46 -12.757 10.486 -8.651 352 HD3 ARG 46 HD1 ARG 46 -11.540 10.084 -7.441 353 HE ARG 46 HE ARG 46 -10.176 11.388 -9.432 354 HH11 ARG 46 HH11 ARG 46 -12.883 12.138 -7.349 355 HH12 ARG 46 HH12 ARG 46 -12.570 13.845 -7.342 356 HH21 ARG 46 HH21 ARG 46 -9.753 13.630 -9.423 357 HH22 ARG 46 HH22 ARG 46 -10.784 14.693 -8.521 358 H LEU 47 HN LEU 47 -9.558 5.568 -7.862 359 HA LEU 47 HA LEU 47 -7.429 4.629 -6.587 360 HB2 LEU 47 HB2 LEU 47 -8.527 3.817 -9.240 361 HB3 LEU 47 HB1 LEU 47 -7.151 2.974 -8.566 362 HG LEU 47 HG LEU 47 -9.182 1.751 -8.102 363 HD11 LEU 47 HD11 LEU 47 -8.961 1.463 -5.738 364 HD12 LEU 47 HD12 LEU 47 -8.222 3.052 -5.568 365 HD13 LEU 47 HD13 LEU 47 -7.367 1.773 -6.425 366 HD21 LEU 47 HD21 LEU 47 -10.143 4.236 -6.694 367 HD22 LEU 47 HD22 LEU 47 -10.946 2.668 -6.675 368 HD23 LEU 47 HD23 LEU 47 -10.795 3.561 -8.186 369 H LEU 48 HN LEU 48 -7.162 6.179 -9.735 370 HA LEU 48 HA LEU 48 -4.419 5.446 -10.114 371 HB2 LEU 48 HB2 LEU 48 -6.146 7.503 -11.493 372 HB3 LEU 48 HB1 LEU 48 -4.505 7.121 -11.975 373 HG LEU 48 HG LEU 48 -6.782 5.139 -11.965 374 HD11 LEU 48 HD11 LEU 48 -7.140 6.890 -13.626 375 HD12 LEU 48 HD12 LEU 48 -6.736 5.356 -14.395 376 HD13 LEU 48 HD13 LEU 48 -5.519 6.625 -14.264 377 HD21 LEU 48 HD21 LEU 48 -5.239 3.762 -13.286 378 HD22 LEU 48 HD22 LEU 48 -4.612 4.090 -11.671 379 HD23 LEU 48 HD23 LEU 48 -3.976 4.973 -13.059 380 H GLU 49 HN GLU 49 -6.095 8.419 -9.250 381 HA GLU 49 HA GLU 49 -3.856 10.043 -8.736 382 HB2 GLU 49 HB2 GLU 49 -6.360 10.237 -7.093 383 HB3 GLU 49 HB1 GLU 49 -5.362 11.530 -7.745 384 HG2 GLU 49 HG2 GLU 49 -7.151 9.725 -9.344 385 HG3 GLU 49 HG1 GLU 49 -7.541 11.376 -8.841 386 H ARG 50 HN ARG 50 -5.685 7.746 -6.913 387 HA ARG 50 HA ARG 50 -4.691 8.084 -4.342 388 HB2 ARG 50 HB2 ARG 50 -5.724 5.705 -5.878 389 HB3 ARG 50 HB1 ARG 50 -5.219 5.555 -4.188 390 HG2 ARG 50 HG2 ARG 50 -6.877 7.395 -3.684 391 HG3 ARG 50 HG1 ARG 50 -7.467 7.188 -5.331 392 HD2 ARG 50 HD2 ARG 50 -7.736 4.727 -4.750 393 HD3 ARG 50 HD1 ARG 50 -7.498 5.203 -3.076 394 HE ARG 50 HE ARG 50 -9.502 6.810 -4.200 395 HH11 ARG 50 HH11 ARG 50 -8.973 3.493 -3.205 396 HH12 ARG 50 HH12 ARG 50 -10.659 3.180 -2.936 397 HH21 ARG 50 HH21 ARG 50 -11.704 6.415 -3.810 398 HH22 ARG 50 HH22 ARG 50 -12.209 4.859 -3.224 399 H HIS 51 HN HIS 51 -3.579 5.885 -6.899 400 HA HIS 51 HA HIS 51 -1.429 4.869 -5.329 401 HB2 HIS 51 HB2 HIS 51 -1.814 4.762 -8.328 402 HB3 HIS 51 HB1 HIS 51 -0.643 3.817 -7.420 403 HD1 HIS 51 HD1 HIS 51 -3.037 2.689 -9.210 404 HD2 HIS 51 HD2 HIS 51 -2.939 2.921 -5.077 405 HE1 HIS 51 HE1 HIS 51 -4.684 0.989 -8.374 406 HE2 HIS 51 HE2 HIS 51 -4.474 1.026 -5.885 407 H ARG 52 HN ARG 52 -1.723 7.326 -7.794 408 HA ARG 52 HA ARG 52 1.043 7.778 -8.177 409 HB2 ARG 52 HB2 ARG 52 -0.849 8.415 -9.725 410 HB3 ARG 52 HB1 ARG 52 -1.228 9.723 -8.616 411 HG2 ARG 52 HG2 ARG 52 1.028 10.644 -8.986 412 HG3 ARG 52 HG1 ARG 52 1.323 9.370 -10.170 413 HD2 ARG 52 HD2 ARG 52 0.653 11.369 -11.325 414 HD3 ARG 52 HD1 ARG 52 -0.634 10.172 -11.453 415 HE ARG 52 HE ARG 52 -0.677 12.482 -9.619 416 HH11 ARG 52 HH11 ARG 52 -2.340 10.133 -11.628 417 HH12 ARG 52 HH12 ARG 52 -3.909 10.831 -11.360 418 HH21 ARG 52 HH21 ARG 52 -2.736 13.393 -9.276 419 HH22 ARG 52 HH22 ARG 52 -4.132 12.683 -10.030 420 H MET 53 HN MET 53 -1.071 8.532 -5.646 421 HA MET 53 HA MET 53 0.382 10.956 -4.910 422 HB2 MET 53 HB2 MET 53 -2.150 10.798 -4.845 423 HB3 MET 53 HB1 MET 53 -1.966 9.715 -3.476 424 HG2 MET 53 HG2 MET 53 -2.445 11.952 -2.708 425 HG3 MET 53 HG1 MET 53 -0.818 11.473 -2.226 426 HE1 MET 53 HE1 MET 53 -0.476 15.337 -2.829 427 HE2 MET 53 HE2 MET 53 -0.239 14.020 -1.682 428 HE3 MET 53 HE3 MET 53 -1.870 14.485 -2.164 429 H VAL 54 HN VAL 54 -0.379 7.743 -3.725 430 HA VAL 54 HA VAL 54 0.984 8.039 -1.248 431 HB VAL 54 HB VAL 54 -0.717 6.198 -2.351 432 HG11 VAL 54 HG11 VAL 54 1.149 5.058 -3.472 433 HG12 VAL 54 HG12 VAL 54 0.319 4.030 -2.300 434 HG13 VAL 54 HG13 VAL 54 1.876 4.751 -1.892 435 HG21 VAL 54 HG21 VAL 54 -0.664 6.769 -0.026 436 HG22 VAL 54 HG22 VAL 54 0.927 6.032 0.164 437 HG23 VAL 54 HG23 VAL 54 -0.480 5.021 -0.166 438 H ASN 55 HN ASN 55 1.816 6.785 -4.416 439 HA ASN 55 HA ASN 55 4.405 5.909 -3.547 440 HB2 ASN 55 HB2 ASN 55 4.791 5.131 -5.665 441 HB3 ASN 55 HB1 ASN 55 3.038 5.014 -5.592 442 HD21 ASN 55 HD21 ASN 55 2.538 7.789 -5.903 443 HD22 ASN 55 HD22 ASN 55 3.030 8.276 -7.487 444 H ALA 56 HN ALA 56 3.041 8.878 -4.446 445 HA ALA 56 HA ALA 56 5.370 10.171 -5.381 446 HB1 ALA 56 HB1 ALA 56 3.112 11.346 -3.755 447 HB2 ALA 56 HB2 ALA 56 3.168 11.234 -5.513 448 HB3 ALA 56 HB3 ALA 56 4.317 12.263 -4.658 449 H ALA 57 HN ALA 57 4.104 9.493 -2.198 450 HA ALA 57 HA ALA 57 6.347 10.756 -0.851 451 HB1 ALA 57 HB1 ALA 57 3.929 9.308 0.224 452 HB2 ALA 57 HB2 ALA 57 4.108 11.056 0.061 453 HB3 ALA 57 HB3 ALA 57 5.123 10.168 1.196 454 H LEU 58 HN LEU 58 5.915 7.971 -2.402 455 HA LEU 58 HA LEU 58 7.582 6.384 -0.575 456 HB2 LEU 58 HB2 LEU 58 4.910 5.838 -1.461 457 HB3 LEU 58 HB1 LEU 58 5.993 4.646 -2.149 458 HG LEU 58 HG LEU 58 6.795 4.095 0.132 459 HD11 LEU 58 HD11 LEU 58 5.535 4.909 2.064 460 HD12 LEU 58 HD12 LEU 58 4.608 5.977 1.010 461 HD13 LEU 58 HD13 LEU 58 6.340 6.229 1.215 462 HD21 LEU 58 HD21 LEU 58 4.768 2.915 0.828 463 HD22 LEU 58 HD22 LEU 58 5.019 2.796 -0.914 464 HD23 LEU 58 HD23 LEU 58 3.811 3.908 -0.271 465 H GLU 59 HN GLU 59 7.528 7.992 -3.298 466 HA GLU 59 HA GLU 59 8.475 6.106 -5.216 467 HB2 GLU 59 HB2 GLU 59 7.428 8.280 -5.878 468 HB3 GLU 59 HB1 GLU 59 8.834 9.120 -5.202 469 HG2 GLU 59 HG2 GLU 59 10.266 7.881 -6.823 470 HG3 GLU 59 HG1 GLU 59 8.795 7.240 -7.549 471 H GLU 60 HN GLU 60 9.817 8.165 -2.812 472 HA GLU 60 HA GLU 60 12.567 7.939 -3.466 473 HB2 GLU 60 HB2 GLU 60 11.573 8.217 -0.650 474 HB3 GLU 60 HB1 GLU 60 12.925 9.025 -1.431 475 HG2 GLU 60 HG2 GLU 60 10.015 9.588 -2.006 476 HG3 GLU 60 HG1 GLU 60 11.044 10.532 -0.916 477 H GLU 61 HN GLU 61 10.290 6.252 -1.474 478 HA GLU 61 HA GLU 61 11.955 4.314 -0.326 479 HB2 GLU 61 HB2 GLU 61 9.453 5.047 0.075 480 HB3 GLU 61 HB1 GLU 61 9.113 3.762 -1.074 481 HG2 GLU 61 HG2 GLU 61 8.908 2.922 1.177 482 HG3 GLU 61 HG1 GLU 61 10.276 2.157 0.369 483 H MET 62 HN MET 62 9.993 4.388 -3.249 484 HA MET 62 HA MET 62 10.548 1.824 -4.210 485 HB2 MET 62 HB2 MET 62 8.747 3.270 -5.072 486 HB3 MET 62 HB1 MET 62 9.953 4.332 -5.784 487 HG2 MET 62 HG2 MET 62 10.705 2.492 -7.222 488 HG3 MET 62 HG1 MET 62 9.461 1.456 -6.525 489 HE1 MET 62 HE1 MET 62 10.250 4.482 -8.859 490 HE2 MET 62 HE2 MET 62 9.358 5.264 -7.555 491 HE3 MET 62 HE3 MET 62 8.646 5.150 -9.165 492 H LYS 63 HN LYS 63 12.383 4.784 -4.351 493 HA LYS 63 HA LYS 63 14.176 3.987 -6.401 494 HB2 LYS 63 HB2 LYS 63 14.586 6.008 -4.190 495 HB3 LYS 63 HB1 LYS 63 15.586 5.849 -5.628 496 HG2 LYS 63 HG2 LYS 63 13.703 6.445 -7.031 497 HG3 LYS 63 HG1 LYS 63 12.659 6.547 -5.616 498 HD2 LYS 63 HD2 LYS 63 14.254 8.316 -4.745 499 HD3 LYS 63 HD1 LYS 63 14.967 8.328 -6.360 500 HE2 LYS 63 HE2 LYS 63 12.098 8.934 -5.650 501 HE3 LYS 63 HE1 LYS 63 13.317 10.093 -6.172 502 HZ1 LYS 63 HZ1 LYS 63 13.392 9.056 -8.317 503 HZ2 LYS 63 HZ2 LYS 63 11.777 9.422 -7.954 504 HZ3 LYS 63 HZ3 LYS 63 12.337 7.831 -7.824 505 H GLU 64 HN GLU 64 13.893 3.105 -3.090 506 HA GLU 64 HA GLU 64 16.678 2.162 -3.090 507 HB2 GLU 64 HB2 GLU 64 15.887 3.532 -1.140 508 HB3 GLU 64 HB1 GLU 64 14.799 2.209 -0.732 509 HG2 GLU 64 HG2 GLU 64 16.591 0.743 -0.280 510 HG3 GLU 64 HG1 GLU 64 17.763 1.836 -1.014 511 H ILE 65 HN ILE 65 13.409 1.127 -3.150 512 HA ILE 65 HA ILE 65 14.251 -1.680 -3.080 513 HB ILE 65 HB ILE 65 12.015 -2.319 -2.839 514 HG12 ILE 65 HG12 ILE 65 11.456 0.114 -4.370 515 HG13 ILE 65 HG11 ILE 65 10.609 -1.417 -4.343 516 HG21 ILE 65 HG21 ILE 65 12.818 -1.236 -0.830 517 HG22 ILE 65 HG22 ILE 65 11.090 -0.951 -1.018 518 HG23 ILE 65 HG23 ILE 65 12.242 0.325 -1.409 519 HD11 ILE 65 HD11 ILE 65 9.150 0.373 -3.629 520 HD12 ILE 65 HD12 ILE 65 10.274 0.792 -2.336 521 HD13 ILE 65 HD13 ILE 65 9.439 -0.762 -2.309 522 H HIS 66 HN HIS 66 12.491 -2.759 -4.965 523 HA HIS 66 HA HIS 66 13.394 -1.354 -7.387 524 HB2 HIS 66 HB2 HIS 66 13.163 -4.299 -6.872 525 HB3 HIS 66 HB1 HIS 66 13.191 -3.646 -8.507 526 HD1 HIS 66 HD1 HIS 66 15.345 -1.632 -8.486 527 HD2 HIS 66 HD2 HIS 66 15.664 -5.169 -6.363 528 HE1 HIS 66 HE1 HIS 66 17.787 -1.975 -8.076 529 HE2 HIS 66 HE2 HIS 66 17.940 -4.017 -6.647 530 H ALA 67 HN ALA 67 10.643 -2.319 -5.658 531 HA ALA 67 HA ALA 67 8.838 -1.411 -7.630 532 HB1 ALA 67 HB1 ALA 67 8.906 -4.409 -7.334 533 HB2 ALA 67 HB2 ALA 67 9.483 -3.513 -8.736 534 HB3 ALA 67 HB3 ALA 67 7.773 -3.474 -8.307 535 H LEU 68 HN LEU 68 7.193 -0.637 -6.488 536 HA LEU 68 HA LEU 68 6.123 -2.244 -4.312 537 HB2 LEU 68 HB2 LEU 68 5.397 -0.309 -3.217 538 HB3 LEU 68 HB1 LEU 68 7.025 0.024 -3.744 539 HG LEU 68 HG LEU 68 5.906 2.031 -4.017 540 HD11 LEU 68 HD11 LEU 68 7.211 1.556 -5.970 541 HD12 LEU 68 HD12 LEU 68 5.767 2.467 -6.412 542 HD13 LEU 68 HD13 LEU 68 5.845 0.733 -6.722 543 HD21 LEU 68 HD21 LEU 68 3.732 2.309 -5.108 544 HD22 LEU 68 HD22 LEU 68 3.645 1.288 -3.673 545 HD23 LEU 68 HD23 LEU 68 3.607 0.559 -5.278 546 H SER 69 HN SER 69 4.409 -3.258 -4.772 547 HA SER 69 HA SER 69 2.690 -2.336 -6.949 548 HB2 SER 69 HB2 SER 69 3.454 -4.500 -7.432 549 HB3 SER 69 HB1 SER 69 3.294 -5.035 -5.763 550 HG SER 69 HG SER 69 1.490 -5.828 -6.419 551 H ILE 70 HN ILE 70 1.421 -0.885 -5.883 552 HA ILE 70 HA ILE 70 0.129 -1.671 -3.419 553 HB ILE 70 HB ILE 70 0.831 0.608 -3.463 554 HG12 ILE 70 HG12 ILE 70 -2.168 0.628 -3.852 555 HG13 ILE 70 HG11 ILE 70 -1.371 0.041 -2.395 556 HG21 ILE 70 HG21 ILE 70 -0.062 2.249 -5.083 557 HG22 ILE 70 HG22 ILE 70 -0.779 0.916 -5.988 558 HG23 ILE 70 HG23 ILE 70 0.973 1.025 -5.818 559 HD11 ILE 70 HD11 ILE 70 -2.201 2.319 -2.152 560 HD12 ILE 70 HD12 ILE 70 -1.170 2.835 -3.487 561 HD13 ILE 70 HD13 ILE 70 -0.449 2.236 -1.994 562 H LYS 71 HN LYS 71 -1.074 -3.334 -3.980 563 HA LYS 71 HA LYS 71 -2.819 -3.320 -6.259 564 HB2 LYS 71 HB2 LYS 71 -3.031 -5.262 -3.975 565 HB3 LYS 71 HB1 LYS 71 -3.328 -5.538 -5.687 566 HG2 LYS 71 HG2 LYS 71 -0.985 -5.466 -6.168 567 HG3 LYS 71 HG1 LYS 71 -0.626 -4.975 -4.509 568 HD2 LYS 71 HD2 LYS 71 -0.144 -7.320 -4.766 569 HD3 LYS 71 HD1 LYS 71 -1.549 -7.128 -3.717 570 HE2 LYS 71 HE2 LYS 71 -3.023 -7.652 -5.587 571 HE3 LYS 71 HE1 LYS 71 -1.629 -7.801 -6.657 572 HZ1 LYS 71 HZ1 LYS 71 -2.366 -9.960 -5.918 573 HZ2 LYS 71 HZ2 LYS 71 -2.204 -9.506 -4.298 574 HZ3 LYS 71 HZ3 LYS 71 -0.830 -9.629 -5.283 575 H LYS 72 HN LYS 72 -2.986 -2.396 -2.987 576 HA LYS 72 HA LYS 72 -5.852 -1.947 -3.228 577 HB2 LYS 72 HB2 LYS 72 -4.405 -3.351 -1.028 578 HB3 LYS 72 HB1 LYS 72 -5.873 -2.441 -0.677 579 HG2 LYS 72 HG2 LYS 72 -7.117 -3.743 -2.246 580 HG3 LYS 72 HG1 LYS 72 -5.659 -4.600 -2.758 581 HD2 LYS 72 HD2 LYS 72 -5.430 -5.349 -0.336 582 HD3 LYS 72 HD1 LYS 72 -7.080 -4.768 -0.113 583 HE2 LYS 72 HE2 LYS 72 -7.933 -6.322 -1.690 584 HE3 LYS 72 HE1 LYS 72 -6.317 -6.740 -2.251 585 HZ1 LYS 72 HZ1 LYS 72 -7.504 -7.383 0.392 586 HZ2 LYS 72 HZ2 LYS 72 -5.877 -7.643 -0.001 587 HZ3 LYS 72 HZ3 LYS 72 -7.094 -8.471 -0.838 588 H ALA 73 HN ALA 73 -6.324 -0.058 -3.018 589 HA ALA 73 HA ALA 73 -4.898 1.688 -1.139 590 HB1 ALA 73 HB1 ALA 73 -4.973 3.531 -2.748 591 HB2 ALA 73 HB2 ALA 73 -5.690 2.458 -3.951 592 HB3 ALA 73 HB3 ALA 73 -4.042 2.176 -3.392 593 H GLN 74 HN GLN 74 -6.519 1.626 0.308 594 HA GLN 74 HA GLN 74 -9.138 2.663 -0.581 595 HB2 GLN 74 HB2 GLN 74 -8.578 0.429 1.369 596 HB3 GLN 74 HB1 GLN 74 -10.145 1.208 1.218 597 HG2 GLN 74 HG2 GLN 74 -8.721 -0.231 -1.008 598 HG3 GLN 74 HG1 GLN 74 -9.981 -0.932 0.007 599 HE21 GLN 74 HE21 GLN 74 -12.106 -0.201 -0.206 600 HE22 GLN 74 HE22 GLN 74 -12.630 0.666 -1.610 601 H THR 75 HN THR 75 -10.348 3.798 1.013 602 HA THR 75 HA THR 75 -8.813 4.749 3.307 603 HB THR 75 HB THR 75 -10.983 6.432 3.036 604 HG1 THR 75 HG1 THR 75 -10.037 6.769 0.544 605 HG21 THR 75 HG21 THR 75 -8.689 7.051 3.669 606 HG22 THR 75 HG22 THR 75 -9.325 8.100 2.406 607 HG23 THR 75 HG23 THR 75 -8.178 6.828 1.998 608 HA PRO 76 HA PRO 76 -11.502 2.865 6.214 609 HB2 PRO 76 HB2 PRO 76 -11.555 5.533 7.533 610 HB3 PRO 76 HB1 PRO 76 -11.159 3.948 8.208 611 HG2 PRO 76 HG2 PRO 76 -9.236 5.688 7.664 612 HG3 PRO 76 HG1 PRO 76 -9.012 3.963 7.321 613 HD2 PRO 76 HD2 PRO 76 -9.608 6.209 5.448 614 HD3 PRO 76 HD1 PRO 76 -8.561 4.795 5.221 615 H GLN 77 HN GLN 77 -12.555 5.599 4.383 616 HA GLN 77 HA GLN 77 -15.205 5.597 5.526 617 HB2 GLN 77 HB2 GLN 77 -15.504 7.526 4.443 618 HB3 GLN 77 HB1 GLN 77 -13.821 7.401 3.961 619 HG2 GLN 77 HG2 GLN 77 -15.744 6.009 2.233 620 HG3 GLN 77 HG1 GLN 77 -15.829 7.772 2.227 621 HE21 GLN 77 HE21 GLN 77 -13.066 5.831 2.824 622 HE22 GLN 77 HE22 GLN 77 -12.211 6.223 1.368 623 H GLN 78 HN GLN 78 -13.664 4.022 2.775 624 HA GLN 78 HA GLN 78 -16.190 2.660 2.155 625 HB2 GLN 78 HB2 GLN 78 -13.481 2.295 0.881 626 HB3 GLN 78 HB1 GLN 78 -15.008 1.662 0.287 627 HG2 GLN 78 HG2 GLN 78 -15.316 3.500 -0.912 628 HG3 GLN 78 HG1 GLN 78 -15.201 4.494 0.549 629 HE21 GLN 78 HE21 GLN 78 -12.629 3.756 1.262 630 HE22 GLN 78 HE22 GLN 78 -11.545 4.550 0.168 631 H TRP 79 HN TRP 79 -13.041 2.263 3.541 632 HA TRP 79 HA TRP 79 -13.263 -0.547 4.039 633 HB2 TRP 79 HB2 TRP 79 -11.263 1.471 4.307 634 HB3 TRP 79 HB1 TRP 79 -11.461 0.673 5.867 635 HD1 TRP 79 HD1 TRP 79 -11.177 -0.480 2.197 636 HE1 TRP 79 HE1 TRP 79 -9.655 -2.534 2.130 637 HE3 TRP 79 HE3 TRP 79 -10.194 -0.913 7.179 638 HZ2 TRP 79 HZ2 TRP 79 -8.198 -4.151 3.958 639 HZ3 TRP 79 HZ3 TRP 79 -8.742 -2.749 7.936 640 HH2 TRP 79 HH2 TRP 79 -7.782 -4.329 6.348 641 H LYS 80 HN LYS 80 -14.927 1.980 5.116 642 HA LYS 80 HA LYS 80 -15.084 2.036 7.800 643 HB2 LYS 80 HB2 LYS 80 -16.993 2.478 5.659 644 HB3 LYS 80 HB1 LYS 80 -17.781 1.944 7.139 645 HG2 LYS 80 HG2 LYS 80 -16.720 3.767 8.367 646 HG3 LYS 80 HG1 LYS 80 -15.914 4.293 6.888 647 HD2 LYS 80 HD2 LYS 80 -17.876 5.659 7.300 648 HD3 LYS 80 HD1 LYS 80 -18.110 4.683 5.850 649 HE2 LYS 80 HE2 LYS 80 -20.126 4.703 7.215 650 HE3 LYS 80 HE1 LYS 80 -19.437 3.083 7.144 651 HZ1 LYS 80 HZ1 LYS 80 -19.104 5.001 9.383 652 HZ2 LYS 80 HZ2 LYS 80 -18.464 3.440 9.322 653 HZ3 LYS 80 HZ3 LYS 80 -20.137 3.662 9.380 654 HA PRO 81 HA PRO 81 -17.828 -1.946 8.249 655 HB2 PRO 81 HB2 PRO 81 -17.720 -3.685 6.129 656 HB3 PRO 81 HB1 PRO 81 -19.028 -2.526 6.386 657 HG2 PRO 81 HG2 PRO 81 -16.638 -2.324 4.597 658 HG3 PRO 81 HG1 PRO 81 -18.320 -1.863 4.277 659 HD2 PRO 81 HD2 PRO 81 -16.452 -0.038 4.903 660 HD3 PRO 81 HD1 PRO 81 -18.133 0.121 5.455 661 HA PRO 82 HA PRO 82 -13.689 -3.627 8.867 662 HB2 PRO 82 HB2 PRO 82 -13.892 -4.065 11.495 663 HB3 PRO 82 HB1 PRO 82 -13.745 -2.427 10.850 664 HG2 PRO 82 HG2 PRO 82 -16.141 -3.838 11.906 665 HG3 PRO 82 HG1 PRO 82 -15.713 -2.123 12.002 666 HD2 PRO 82 HD2 PRO 82 -17.492 -3.304 10.168 667 HD3 PRO 82 HD1 PRO 82 -16.825 -1.662 10.083 668 H SER 83 HN SER 83 -13.379 -5.645 8.114 669 HA SER 83 HA SER 83 -14.186 -7.873 9.684 670 HB2 SER 83 HB2 SER 83 -15.452 -8.978 7.793 671 HB3 SER 83 HB1 SER 83 -16.263 -7.598 8.529 672 HG SER 83 HG SER 83 -15.951 -7.849 6.046 673 H GLN 84 HN GLN 84 -11.804 -6.639 8.650 674 HA GLN 84 HA GLN 84 -10.653 -8.949 7.283 675 HB2 GLN 84 HB2 GLN 84 -10.045 -6.110 6.455 676 HB3 GLN 84 HB1 GLN 84 -9.486 -7.587 5.697 677 HG2 GLN 84 HG2 GLN 84 -11.824 -8.100 5.076 678 HG3 GLN 84 HG1 GLN 84 -12.290 -6.528 5.734 679 HE21 GLN 84 HE21 GLN 84 -11.568 -4.646 4.690 680 HE22 GLN 84 HE22 GLN 84 -11.046 -4.670 3.049 681 H ASP 85 HN ASP 85 -9.532 -5.700 8.181 682 HA ASP 85 HA ASP 85 -7.073 -6.715 9.173 683 HB2 ASP 85 HB2 ASP 85 -7.347 -4.452 8.145 684 HB3 ASP 85 HB1 ASP 85 -8.254 -3.967 9.568 685 H SER 86 HN SER 86 -9.972 -5.487 10.520 686 HA SER 86 HA SER 86 -9.312 -5.620 13.249 687 HB2 SER 86 HB2 SER 86 -11.268 -4.395 12.392 688 HB3 SER 86 HB1 SER 86 -12.010 -5.913 11.897 689 HG SER 86 HG SER 86 -12.833 -5.911 13.821 690 H ALA 87 HN ALA 87 -10.383 -7.990 10.924 691 HA ALA 87 HA ALA 87 -10.859 -10.008 12.929 692 HB1 ALA 87 HB1 ALA 87 -11.473 -11.454 11.076 693 HB2 ALA 87 HB2 ALA 87 -10.886 -10.252 9.928 694 HB3 ALA 87 HB3 ALA 87 -12.288 -9.897 10.936 695 H THR 88 HN THR 88 -8.174 -8.726 11.945 696 HA THR 88 HA THR 88 -6.679 -11.260 11.914 697 HB THR 88 HB THR 88 -5.714 -8.661 10.700 698 HG1 THR 88 HG1 THR 88 -7.649 -9.569 9.669 699 HG21 THR 88 HG21 THR 88 -3.965 -10.294 11.262 700 HG22 THR 88 HG22 THR 88 -4.132 -10.116 9.515 701 HG23 THR 88 HG23 THR 88 -4.813 -11.526 10.328 702 H LEU 89 HN LEU 89 -7.529 -8.686 13.742 703 HA LEU 89 HA LEU 89 -4.990 -8.752 15.229 704 HB2 LEU 89 HB2 LEU 89 -6.932 -6.460 14.934 705 HB3 LEU 89 HB1 LEU 89 -5.585 -6.471 16.052 706 HG LEU 89 HG LEU 89 -5.369 -6.582 13.041 707 HD11 LEU 89 HD11 LEU 89 -6.087 -4.402 13.837 708 HD12 LEU 89 HD12 LEU 89 -4.418 -4.335 13.269 709 HD13 LEU 89 HD13 LEU 89 -4.760 -4.372 14.998 710 HD21 LEU 89 HD21 LEU 89 -3.555 -7.806 14.097 711 HD22 LEU 89 HD22 LEU 89 -3.230 -6.441 15.165 712 HD23 LEU 89 HD23 LEU 89 -2.962 -6.286 13.429 713 H THR 90 HN THR 90 -8.449 -8.986 15.275 714 HA THR 90 HA THR 90 -8.399 -9.195 18.206 715 HB THR 90 HB THR 90 -10.850 -8.920 16.465 716 HG1 THR 90 HG1 THR 90 -9.072 -6.976 17.513 717 HG21 THR 90 HG21 THR 90 -11.881 -8.090 18.535 718 HG22 THR 90 HG22 THR 90 -10.364 -8.354 19.394 719 HG23 THR 90 HG23 THR 90 -11.258 -9.727 18.742 720 H LYS 91 HN LYS 91 -8.383 -11.075 15.481 721 HA LYS 91 HA LYS 91 -9.749 -13.287 16.851 722 HB2 LYS 91 HB2 LYS 91 -9.279 -13.137 13.872 723 HB3 LYS 91 HB1 LYS 91 -10.334 -14.238 14.742 724 HG2 LYS 91 HG2 LYS 91 -10.740 -11.306 14.251 725 HG3 LYS 91 HG1 LYS 91 -11.705 -12.648 13.641 726 HD2 LYS 91 HD2 LYS 91 -11.455 -11.768 16.514 727 HD3 LYS 91 HD1 LYS 91 -12.844 -11.504 15.459 728 HE2 LYS 91 HE2 LYS 91 -11.798 -14.204 16.309 729 HE3 LYS 91 HE1 LYS 91 -13.197 -13.389 17.003 730 HZ1 LYS 91 HZ1 LYS 91 -12.924 -14.268 14.182 731 HZ2 LYS 91 HZ2 LYS 91 -14.258 -13.460 14.829 732 HZ3 LYS 91 HZ3 LYS 91 -13.871 -15.015 15.367 733 H ASP 92 HN ASP 92 -7.058 -12.214 14.939 734 HA ASP 92 HA ASP 92 -5.622 -14.678 15.049 735 HB2 ASP 92 HB2 ASP 92 -5.211 -13.045 13.268 736 HB3 ASP 92 HB1 ASP 92 -4.661 -11.872 14.459 737 H ALA 93 HN ALA 93 -5.059 -11.511 16.543 738 HA ALA 93 HA ALA 93 -4.228 -10.850 18.538 739 HB1 ALA 93 HB1 ALA 93 -5.324 -13.488 19.502 740 HB2 ALA 93 HB2 ALA 93 -6.251 -11.999 19.322 741 HB3 ALA 93 HB3 ALA 93 -4.941 -12.086 20.498 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 18.559 -0.471 -1.776 2 H2 MET 1 HT2 MET 1 17.550 -1.555 -2.597 3 H3 MET 1 HT3 MET 1 19.217 -1.590 -2.869 4 HA MET 1 HA MET 1 18.511 -3.420 -1.458 5 HB2 MET 1 HB2 MET 1 20.092 -1.371 0.110 6 HB3 MET 1 HB1 MET 1 20.158 -3.119 0.288 7 HG2 MET 1 HG2 MET 1 21.133 -1.477 -2.033 8 HG3 MET 1 HG1 MET 1 22.099 -2.411 -0.895 9 HE1 MET 1 HE1 MET 1 22.298 -5.054 -0.920 10 HE2 MET 1 HE2 MET 1 21.232 -6.088 -1.871 11 HE3 MET 1 HE3 MET 1 20.571 -5.091 -0.576 12 H VAL 2 HN VAL 2 17.089 -4.132 0.074 13 HA VAL 2 HA VAL 2 15.911 -2.303 1.945 14 HB VAL 2 HB VAL 2 14.801 -1.607 -0.122 15 HG11 VAL 2 HG11 VAL 2 14.944 -3.676 -1.371 16 HG12 VAL 2 HG12 VAL 2 13.267 -3.139 -1.276 17 HG13 VAL 2 HG13 VAL 2 13.831 -4.458 -0.249 18 HG21 VAL 2 HG21 VAL 2 12.468 -1.871 0.641 19 HG22 VAL 2 HG22 VAL 2 13.564 -1.408 1.942 20 HG23 VAL 2 HG23 VAL 2 13.010 -3.077 1.807 21 H THR 3 HN THR 3 15.006 -3.328 3.600 22 HA THR 3 HA THR 3 14.128 -6.114 3.266 23 HB THR 3 HB THR 3 15.741 -5.935 5.067 24 HG1 THR 3 HG1 THR 3 14.542 -7.169 6.303 25 HG21 THR 3 HG21 THR 3 15.385 -4.508 7.012 26 HG22 THR 3 HG22 THR 3 13.923 -3.852 6.280 27 HG23 THR 3 HG23 THR 3 15.492 -3.537 5.546 28 H LYS 4 HN LYS 4 12.057 -6.659 4.148 29 HA LYS 4 HA LYS 4 10.062 -4.712 3.599 30 HB2 LYS 4 HB2 LYS 4 9.160 -6.766 3.183 31 HB3 LYS 4 HB1 LYS 4 10.130 -7.559 4.410 32 HG2 LYS 4 HG2 LYS 4 8.616 -6.817 6.137 33 HG3 LYS 4 HG1 LYS 4 7.679 -5.888 4.970 34 HD2 LYS 4 HD2 LYS 4 6.867 -7.839 3.933 35 HD3 LYS 4 HD1 LYS 4 8.100 -8.852 4.683 36 HE2 LYS 4 HE2 LYS 4 6.081 -9.320 5.820 37 HE3 LYS 4 HE1 LYS 4 7.031 -8.309 6.902 38 HZ1 LYS 4 HZ1 LYS 4 4.818 -7.342 5.169 39 HZ2 LYS 4 HZ2 LYS 4 5.690 -6.406 6.285 40 HZ3 LYS 4 HZ3 LYS 4 4.693 -7.662 6.826 41 H GLU 5 HN GLU 5 12.035 -5.327 6.197 42 HA GLU 5 HA GLU 5 10.152 -4.816 8.302 43 HB2 GLU 5 HB2 GLU 5 13.132 -5.156 8.227 44 HB3 GLU 5 HB1 GLU 5 12.266 -4.790 9.719 45 HG2 GLU 5 HG2 GLU 5 10.908 -6.851 9.325 46 HG3 GLU 5 HG1 GLU 5 11.980 -7.227 7.977 47 H GLN 6 HN GLN 6 12.457 -3.002 6.484 48 HA GLN 6 HA GLN 6 12.072 -0.633 8.087 49 HB2 GLN 6 HB2 GLN 6 13.457 0.494 6.403 50 HB3 GLN 6 HB1 GLN 6 14.243 -0.951 7.016 51 HG2 GLN 6 HG2 GLN 6 14.625 -1.424 4.881 52 HG3 GLN 6 HG1 GLN 6 12.923 -1.894 4.817 53 HE21 GLN 6 HE21 GLN 6 11.425 -0.420 3.929 54 HE22 GLN 6 HE22 GLN 6 11.921 0.864 2.877 55 H VAL 7 HN VAL 7 10.661 -2.221 5.407 56 HA VAL 7 HA VAL 7 9.365 0.036 4.187 57 HB VAL 7 HB VAL 7 8.804 -2.943 4.065 58 HG11 VAL 7 HG11 VAL 7 6.756 -1.685 3.647 59 HG12 VAL 7 HG12 VAL 7 7.334 -2.495 2.192 60 HG13 VAL 7 HG13 VAL 7 7.583 -0.761 2.393 61 HG21 VAL 7 HG21 VAL 7 10.907 -2.291 3.039 62 HG22 VAL 7 HG22 VAL 7 10.073 -1.074 2.072 63 HG23 VAL 7 HG23 VAL 7 9.744 -2.786 1.810 64 H GLU 8 HN GLU 8 8.697 -2.368 6.523 65 HA GLU 8 HA GLU 8 6.082 -2.059 7.237 66 HB2 GLU 8 HB2 GLU 8 8.629 -2.719 8.645 67 HB3 GLU 8 HB1 GLU 8 7.133 -2.613 9.572 68 HG2 GLU 8 HG2 GLU 8 7.677 -4.448 7.249 69 HG3 GLU 8 HG1 GLU 8 7.657 -4.907 8.949 70 H ALA 9 HN ALA 9 8.920 -0.366 8.533 71 HA ALA 9 HA ALA 9 7.248 1.268 10.238 72 HB1 ALA 9 HB1 ALA 9 9.372 0.429 11.093 73 HB2 ALA 9 HB2 ALA 9 9.375 2.192 11.044 74 HB3 ALA 9 HB3 ALA 9 10.236 1.274 9.809 75 H SER 10 HN SER 10 8.657 1.373 7.140 76 HA SER 10 HA SER 10 9.065 4.222 7.027 77 HB2 SER 10 HB2 SER 10 10.317 2.631 5.579 78 HB3 SER 10 HB1 SER 10 8.818 2.270 4.724 79 HG SER 10 HG SER 10 9.738 3.829 3.519 80 H LEU 11 HN LEU 11 6.649 2.051 5.579 81 HA LEU 11 HA LEU 11 5.129 4.272 4.598 82 HB2 LEU 11 HB2 LEU 11 4.680 1.312 4.649 83 HB3 LEU 11 HB1 LEU 11 3.408 2.406 4.140 84 HG LEU 11 HG LEU 11 4.459 1.610 2.167 85 HD11 LEU 11 HD11 LEU 11 3.962 4.033 2.232 86 HD12 LEU 11 HD12 LEU 11 5.259 3.608 1.119 87 HD13 LEU 11 HD13 LEU 11 5.641 4.331 2.679 88 HD21 LEU 11 HD21 LEU 11 6.520 0.782 3.196 89 HD22 LEU 11 HD22 LEU 11 7.108 2.438 3.337 90 HD23 LEU 11 HD23 LEU 11 6.842 1.730 1.745 91 H THR 12 HN THR 12 5.041 2.261 7.461 92 HA THR 12 HA THR 12 2.493 3.033 8.391 93 HB THR 12 HB THR 12 4.961 2.194 9.929 94 HG1 THR 12 HG1 THR 12 4.356 0.407 8.921 95 HG21 THR 12 HG21 THR 12 3.450 3.396 11.420 96 HG22 THR 12 HG22 THR 12 3.429 1.669 11.780 97 HG23 THR 12 HG23 THR 12 2.102 2.398 10.877 98 H SER 13 HN SER 13 5.398 4.779 8.067 99 HA SER 13 HA SER 13 4.699 6.764 10.078 100 HB2 SER 13 HB2 SER 13 7.063 6.102 9.773 101 HB3 SER 13 HB1 SER 13 7.000 6.682 8.111 102 HG SER 13 HG SER 13 6.892 8.155 10.515 103 H LYS 14 HN LYS 14 5.081 6.511 6.577 104 HA LYS 14 HA LYS 14 4.311 9.272 6.180 105 HB2 LYS 14 HB2 LYS 14 5.085 7.080 4.253 106 HB3 LYS 14 HB1 LYS 14 4.752 8.742 3.780 107 HG2 LYS 14 HG2 LYS 14 6.612 9.536 5.102 108 HG3 LYS 14 HG1 LYS 14 6.911 7.909 5.708 109 HD2 LYS 14 HD2 LYS 14 7.021 8.605 2.781 110 HD3 LYS 14 HD1 LYS 14 8.426 8.719 3.841 111 HE2 LYS 14 HE2 LYS 14 8.107 6.313 4.409 112 HE3 LYS 14 HE1 LYS 14 6.821 6.243 3.205 113 HZ1 LYS 14 HZ1 LYS 14 8.937 5.451 2.316 114 HZ2 LYS 14 HZ2 LYS 14 9.653 6.950 2.653 115 HZ3 LYS 14 HZ3 LYS 14 8.418 6.845 1.502 116 H LEU 15 HN LEU 15 2.845 6.181 6.132 117 HA LEU 15 HA LEU 15 0.440 7.277 4.824 118 HB2 LEU 15 HB2 LEU 15 1.881 4.743 4.540 119 HB3 LEU 15 HB1 LEU 15 0.152 4.546 4.763 120 HG LEU 15 HG LEU 15 -0.350 5.755 2.775 121 HD11 LEU 15 HD11 LEU 15 1.410 6.791 1.383 122 HD12 LEU 15 HD12 LEU 15 2.570 6.496 2.679 123 HD13 LEU 15 HD13 LEU 15 1.203 7.581 2.946 124 HD21 LEU 15 HD21 LEU 15 0.395 3.442 2.465 125 HD22 LEU 15 HD22 LEU 15 2.046 4.011 2.232 126 HD23 LEU 15 HD23 LEU 15 0.791 4.452 1.076 127 H LYS 16 HN LYS 16 1.807 6.125 7.643 128 HA LYS 16 HA LYS 16 1.039 6.062 9.759 129 HB2 LYS 16 HB2 LYS 16 -1.670 6.674 8.569 130 HB3 LYS 16 HB1 LYS 16 -1.306 6.654 10.288 131 HG2 LYS 16 HG2 LYS 16 -0.126 8.515 8.238 132 HG3 LYS 16 HG1 LYS 16 -1.338 8.923 9.450 133 HD2 LYS 16 HD2 LYS 16 0.273 8.416 11.225 134 HD3 LYS 16 HD1 LYS 16 1.484 8.010 10.008 135 HE2 LYS 16 HE2 LYS 16 0.169 10.703 10.341 136 HE3 LYS 16 HE1 LYS 16 1.785 10.280 10.900 137 HZ1 LYS 16 HZ1 LYS 16 1.893 11.433 8.802 138 HZ2 LYS 16 HZ2 LYS 16 0.866 10.300 8.079 139 HZ3 LYS 16 HZ3 LYS 16 2.410 9.835 8.597 140 HA PRO 17 HA PRO 17 -0.044 1.846 10.249 141 HB2 PRO 17 HB2 PRO 17 -0.793 1.748 12.841 142 HB3 PRO 17 HB1 PRO 17 0.881 2.038 12.353 143 HG2 PRO 17 HG2 PRO 17 -1.210 3.998 13.217 144 HG3 PRO 17 HG1 PRO 17 0.504 3.920 13.667 145 HD2 PRO 17 HD2 PRO 17 -0.453 5.625 11.780 146 HD3 PRO 17 HD1 PRO 17 1.187 4.955 11.732 147 H ILE 18 HN ILE 18 -2.117 3.047 8.913 148 HA ILE 18 HA ILE 18 -4.599 2.498 10.310 149 HB ILE 18 HB ILE 18 -4.294 3.011 7.360 150 HG12 ILE 18 HG12 ILE 18 -3.125 4.809 8.592 151 HG13 ILE 18 HG11 ILE 18 -4.579 5.404 7.801 152 HG21 ILE 18 HG21 ILE 18 -6.571 3.901 7.573 153 HG22 ILE 18 HG22 ILE 18 -6.552 3.535 9.296 154 HG23 ILE 18 HG23 ILE 18 -6.478 2.226 8.117 155 HD11 ILE 18 HD11 ILE 18 -4.284 4.750 10.723 156 HD12 ILE 18 HD12 ILE 18 -5.763 5.311 9.943 157 HD13 ILE 18 HD13 ILE 18 -4.347 6.359 10.005 158 H HIS 19 HN HIS 19 -3.577 1.449 7.069 159 HA HIS 19 HA HIS 19 -3.598 -1.327 7.915 160 HB2 HIS 19 HB2 HIS 19 -5.943 -0.823 7.156 161 HB3 HIS 19 HB1 HIS 19 -5.278 -0.426 5.577 162 HD1 HIS 19 HD1 HIS 19 -6.170 -3.292 7.750 163 HD2 HIS 19 HD2 HIS 19 -4.364 -2.644 4.059 164 HE1 HIS 19 HE1 HIS 19 -6.172 -5.519 6.590 165 HE2 HIS 19 HE2 HIS 19 -4.814 -5.158 4.505 166 H LEU 20 HN LEU 20 -1.495 -1.492 7.447 167 HA LEU 20 HA LEU 20 -0.738 -1.227 4.613 168 HB2 LEU 20 HB2 LEU 20 0.502 0.288 6.136 169 HB3 LEU 20 HB1 LEU 20 1.001 -1.098 7.082 170 HG LEU 20 HG LEU 20 2.127 -1.953 4.960 171 HD11 LEU 20 HD11 LEU 20 1.662 0.912 4.166 172 HD12 LEU 20 HD12 LEU 20 1.043 -0.529 3.357 173 HD13 LEU 20 HD13 LEU 20 2.775 -0.196 3.363 174 HD21 LEU 20 HD21 LEU 20 3.155 0.567 6.257 175 HD22 LEU 20 HD22 LEU 20 4.120 -0.613 5.371 176 HD23 LEU 20 HD23 LEU 20 3.343 -1.070 6.885 177 H GLU 21 HN GLU 21 -0.246 -3.087 3.653 178 HA GLU 21 HA GLU 21 0.806 -5.308 5.217 179 HB2 GLU 21 HB2 GLU 21 -1.497 -5.534 3.271 180 HB3 GLU 21 HB1 GLU 21 -0.611 -6.905 3.919 181 HG2 GLU 21 HG2 GLU 21 -1.314 -6.189 6.195 182 HG3 GLU 21 HG1 GLU 21 -2.332 -4.965 5.437 183 H VAL 22 HN VAL 22 2.801 -5.039 4.324 184 HA VAL 22 HA VAL 22 2.989 -5.352 1.419 185 HB VAL 22 HB VAL 22 5.256 -4.625 1.536 186 HG11 VAL 22 HG11 VAL 22 5.004 -2.395 2.664 187 HG12 VAL 22 HG12 VAL 22 3.431 -2.953 3.248 188 HG13 VAL 22 HG13 VAL 22 3.734 -2.813 1.517 189 HG21 VAL 22 HG21 VAL 22 6.388 -4.067 3.643 190 HG22 VAL 22 HG22 VAL 22 5.964 -5.777 3.562 191 HG23 VAL 22 HG23 VAL 22 4.998 -4.676 4.544 192 H ILE 23 HN ILE 23 4.033 -7.090 0.518 193 HA ILE 23 HA ILE 23 4.608 -9.298 2.354 194 HB ILE 23 HB ILE 23 3.339 -9.544 -0.361 195 HG12 ILE 23 HG12 ILE 23 1.813 -8.492 1.271 196 HG13 ILE 23 HG11 ILE 23 1.256 -10.090 0.787 197 HG21 ILE 23 HG21 ILE 23 2.949 -11.878 0.300 198 HG22 ILE 23 HG22 ILE 23 3.842 -11.584 1.792 199 HG23 ILE 23 HG23 ILE 23 4.663 -11.473 0.234 200 HD11 ILE 23 HD11 ILE 23 2.665 -9.394 3.355 201 HD12 ILE 23 HD12 ILE 23 2.141 -11.009 2.877 202 HD13 ILE 23 HD13 ILE 23 0.947 -9.742 3.161 203 H ASP 24 HN ASP 24 6.716 -9.203 2.292 204 HA ASP 24 HA ASP 24 8.349 -8.956 -0.000 205 HB2 ASP 24 HB2 ASP 24 9.312 -8.604 2.199 206 HB3 ASP 24 HB1 ASP 24 8.943 -10.262 2.661 207 H ILE 25 HN ILE 25 8.311 -10.281 -1.652 208 HA ILE 25 HA ILE 25 7.909 -13.158 -1.203 209 HB ILE 25 HB ILE 25 7.898 -11.719 -3.857 210 HG12 ILE 25 HG12 ILE 25 5.445 -12.387 -2.235 211 HG13 ILE 25 HG11 ILE 25 6.220 -10.807 -2.159 212 HG21 ILE 25 HG21 ILE 25 8.135 -14.151 -3.943 213 HG22 ILE 25 HG22 ILE 25 6.574 -13.641 -4.586 214 HG23 ILE 25 HG23 ILE 25 6.676 -14.332 -2.967 215 HD11 ILE 25 HD11 ILE 25 4.324 -10.833 -3.689 216 HD12 ILE 25 HD12 ILE 25 5.117 -12.088 -4.643 217 HD13 ILE 25 HD13 ILE 25 5.840 -10.485 -4.520 218 H SER 26 HN SER 26 10.374 -10.954 -1.578 219 HA SER 26 HA SER 26 12.118 -12.934 -2.848 220 HB2 SER 26 HB2 SER 26 13.087 -10.904 -4.163 221 HB3 SER 26 HB1 SER 26 11.606 -11.675 -4.734 222 HG SER 26 HG SER 26 10.419 -10.034 -3.803 223 H GLY 27 HN GLY 27 12.776 -9.521 -2.170 224 HA2 GLY 27 HA2 GLY 27 13.945 -9.569 0.270 225 HA3 GLY 27 HA1 GLY 27 15.175 -10.271 -0.769 226 H GLY 28 HN GLY 28 16.496 -8.949 -1.837 227 HA2 GLY 28 HA2 GLY 28 15.826 -6.068 -1.808 228 HA3 GLY 28 HA1 GLY 28 17.438 -6.678 -1.471 229 H CYS 29 HN CYS 29 17.605 -8.602 -3.503 230 HA CYS 29 HA CYS 29 18.133 -6.831 -5.753 231 HB2 CYS 29 HB2 CYS 29 19.861 -8.443 -4.924 232 HB3 CYS 29 HB1 CYS 29 18.807 -9.763 -5.412 233 HG CYS 29 HG CYS 29 20.490 -7.569 -7.403 234 H GLY 30 HN GLY 30 16.164 -9.509 -4.802 235 HA2 GLY 30 HA2 GLY 30 14.894 -9.776 -7.394 236 HA3 GLY 30 HA1 GLY 30 14.524 -10.700 -5.938 237 H SER 31 HN SER 31 14.767 -7.855 -4.737 238 HA SER 31 HA SER 31 12.547 -7.704 -3.434 239 HB2 SER 31 HB2 SER 31 14.234 -6.051 -3.142 240 HB3 SER 31 HB1 SER 31 13.956 -5.385 -4.746 241 HG SER 31 HG SER 31 12.530 -5.036 -2.388 242 H SER 32 HN SER 32 10.610 -8.073 -3.915 243 HA SER 32 HA SER 32 9.135 -6.204 -5.583 244 HB2 SER 32 HB2 SER 32 8.863 -9.207 -5.920 245 HB3 SER 32 HB1 SER 32 7.914 -7.979 -6.752 246 HG SER 32 HG SER 32 10.676 -7.776 -6.975 247 H PHE 33 HN PHE 33 7.559 -5.468 -4.301 248 HA PHE 33 HA PHE 33 6.554 -7.251 -2.173 249 HB2 PHE 33 HB2 PHE 33 6.818 -4.243 -2.113 250 HB3 PHE 33 HB1 PHE 33 6.184 -5.247 -0.815 251 HD1 PHE 33 HD1 PHE 33 7.689 -6.815 0.360 252 HD2 PHE 33 HD2 PHE 33 9.132 -3.943 -2.416 253 HE1 PHE 33 HE1 PHE 33 9.953 -7.060 1.277 254 HE2 PHE 33 HE2 PHE 33 11.392 -4.180 -1.501 255 HZ PHE 33 HZ PHE 33 11.810 -5.743 0.344 256 H GLU 34 HN GLU 34 4.395 -7.403 -1.867 257 HA GLU 34 HA GLU 34 2.629 -5.827 -3.626 258 HB2 GLU 34 HB2 GLU 34 1.998 -8.378 -2.118 259 HB3 GLU 34 HB1 GLU 34 0.966 -7.574 -3.291 260 HG2 GLU 34 HG2 GLU 34 3.646 -8.785 -3.919 261 HG3 GLU 34 HG1 GLU 34 2.099 -9.588 -4.162 262 H VAL 35 HN VAL 35 1.867 -4.068 -2.561 263 HA VAL 35 HA VAL 35 1.413 -4.313 0.332 264 HB VAL 35 HB VAL 35 3.036 -2.594 -0.323 265 HG11 VAL 35 HG11 VAL 35 0.731 -1.244 -1.701 266 HG12 VAL 35 HG12 VAL 35 2.104 -2.000 -2.508 267 HG13 VAL 35 HG13 VAL 35 2.349 -0.580 -1.489 268 HG21 VAL 35 HG21 VAL 35 2.074 -0.740 0.952 269 HG22 VAL 35 HG22 VAL 35 1.766 -2.301 1.717 270 HG23 VAL 35 HG23 VAL 35 0.483 -1.491 0.820 271 H GLU 36 HN GLU 36 -0.498 -3.892 1.254 272 HA GLU 36 HA GLU 36 -2.672 -2.803 -0.410 273 HB2 GLU 36 HB2 GLU 36 -2.952 -4.693 1.934 274 HB3 GLU 36 HB1 GLU 36 -4.250 -4.097 0.909 275 HG2 GLU 36 HG2 GLU 36 -3.322 -5.278 -0.993 276 HG3 GLU 36 HG1 GLU 36 -1.974 -5.826 0.004 277 H VAL 37 HN VAL 37 -2.885 -0.756 0.158 278 HA VAL 37 HA VAL 37 -2.530 -0.015 2.977 279 HB VAL 37 HB VAL 37 -2.387 1.763 0.541 280 HG11 VAL 37 HG11 VAL 37 -1.548 3.462 2.046 281 HG12 VAL 37 HG12 VAL 37 -1.688 2.352 3.410 282 HG13 VAL 37 HG13 VAL 37 -3.138 2.909 2.572 283 HG21 VAL 37 HG21 VAL 37 0.025 1.859 0.992 284 HG22 VAL 37 HG22 VAL 37 -0.513 0.230 0.585 285 HG23 VAL 37 HG23 VAL 37 -0.179 0.654 2.263 286 H VAL 38 HN VAL 38 -4.115 0.860 4.070 287 HA VAL 38 HA VAL 38 -6.338 2.145 2.633 288 HB VAL 38 HB VAL 38 -6.472 0.879 5.388 289 HG11 VAL 38 HG11 VAL 38 -8.618 2.185 3.734 290 HG12 VAL 38 HG12 VAL 38 -7.916 2.808 5.228 291 HG13 VAL 38 HG13 VAL 38 -8.879 1.328 5.254 292 HG21 VAL 38 HG21 VAL 38 -8.032 -0.732 4.354 293 HG22 VAL 38 HG22 VAL 38 -6.394 -0.846 3.700 294 HG23 VAL 38 HG23 VAL 38 -7.658 -0.036 2.775 295 H SER 39 HN SER 39 -5.637 4.242 2.654 296 HA SER 39 HA SER 39 -4.995 5.392 5.259 297 HB2 SER 39 HB2 SER 39 -2.854 4.725 4.141 298 HB3 SER 39 HB1 SER 39 -3.258 5.823 2.822 299 HG SER 39 HG SER 39 -2.291 6.360 5.340 300 H GLU 40 HN GLU 40 -5.022 7.708 5.242 301 HA GLU 40 HA GLU 40 -7.482 8.598 4.227 302 HB2 GLU 40 HB2 GLU 40 -6.950 10.701 5.308 303 HB3 GLU 40 HB1 GLU 40 -6.479 9.351 6.329 304 HG2 GLU 40 HG2 GLU 40 -4.166 9.621 5.690 305 HG3 GLU 40 HG1 GLU 40 -4.606 10.925 4.587 306 H GLN 41 HN GLN 41 -4.814 8.213 2.440 307 HA GLN 41 HA GLN 41 -5.001 10.752 0.978 308 HB2 GLN 41 HB2 GLN 41 -3.050 8.473 0.938 309 HB3 GLN 41 HB1 GLN 41 -3.180 9.513 -0.469 310 HG2 GLN 41 HG2 GLN 41 -1.385 10.310 0.851 311 HG3 GLN 41 HG1 GLN 41 -2.707 11.460 1.005 312 HE21 GLN 41 HE21 GLN 41 -2.595 8.386 2.671 313 HE22 GLN 41 HE22 GLN 41 -2.396 9.036 4.250 314 H PHE 42 HN PHE 42 -6.613 8.054 1.177 315 HA PHE 42 HA PHE 42 -7.210 7.893 -1.698 316 HB2 PHE 42 HB2 PHE 42 -7.575 5.781 0.434 317 HB3 PHE 42 HB1 PHE 42 -7.877 5.572 -1.288 318 HD1 PHE 42 HD1 PHE 42 -5.287 7.128 -2.106 319 HD2 PHE 42 HD2 PHE 42 -6.075 3.951 0.612 320 HE1 PHE 42 HE1 PHE 42 -2.987 6.305 -2.400 321 HE2 PHE 42 HE2 PHE 42 -3.781 3.135 0.328 322 HZ PHE 42 HZ PHE 42 -2.236 4.310 -1.174 323 H GLU 43 HN GLU 43 -8.263 9.639 0.548 324 HA GLU 43 HA GLU 43 -10.770 8.390 1.366 325 HB2 GLU 43 HB2 GLU 43 -9.292 9.711 2.921 326 HB3 GLU 43 HB1 GLU 43 -9.750 11.155 2.032 327 HG2 GLU 43 HG2 GLU 43 -11.072 11.021 4.015 328 HG3 GLU 43 HG1 GLU 43 -12.111 10.722 2.624 329 H GLY 44 HN GLY 44 -12.466 8.454 0.020 330 HA2 GLY 44 HA2 GLY 44 -13.872 9.138 -1.661 331 HA3 GLY 44 HA1 GLY 44 -13.647 10.756 -1.013 332 H LYS 45 HN LYS 45 -10.795 9.214 -2.027 333 HA LYS 45 HA LYS 45 -10.406 11.290 -3.987 334 HB2 LYS 45 HB2 LYS 45 -8.544 9.110 -3.064 335 HB3 LYS 45 HB1 LYS 45 -8.099 10.503 -3.992 336 HG2 LYS 45 HG2 LYS 45 -9.203 10.667 -1.217 337 HG3 LYS 45 HG1 LYS 45 -7.485 10.700 -1.620 338 HD2 LYS 45 HD2 LYS 45 -9.528 12.673 -2.641 339 HD3 LYS 45 HD1 LYS 45 -8.461 12.955 -1.266 340 HE2 LYS 45 HE2 LYS 45 -6.513 12.746 -2.700 341 HE3 LYS 45 HE1 LYS 45 -7.541 12.369 -4.080 342 HZ1 LYS 45 HZ1 LYS 45 -8.478 14.558 -3.984 343 HZ2 LYS 45 HZ2 LYS 45 -6.792 14.693 -4.036 344 HZ3 LYS 45 HZ3 LYS 45 -7.617 14.924 -2.576 345 H ARG 46 HN ARG 46 -9.552 10.858 -6.069 346 HA ARG 46 HA ARG 46 -10.696 8.510 -7.328 347 HB2 ARG 46 HB2 ARG 46 -9.062 10.753 -8.535 348 HB3 ARG 46 HB1 ARG 46 -9.931 9.521 -9.428 349 HG2 ARG 46 HG2 ARG 46 -11.126 11.701 -7.732 350 HG3 ARG 46 HG1 ARG 46 -11.153 11.587 -9.490 351 HD2 ARG 46 HD2 ARG 46 -13.221 10.753 -9.063 352 HD3 ARG 46 HD1 ARG 46 -12.302 9.255 -8.927 353 HE ARG 46 HE ARG 46 -12.823 10.847 -6.519 354 HH11 ARG 46 HH11 ARG 46 -13.343 7.911 -8.362 355 HH12 ARG 46 HH12 ARG 46 -14.096 7.071 -7.046 356 HH21 ARG 46 HH21 ARG 46 -13.808 9.754 -4.795 357 HH22 ARG 46 HH22 ARG 46 -14.349 8.118 -5.006 358 H LEU 47 HN LEU 47 -9.600 6.872 -8.103 359 HA LEU 47 HA LEU 47 -7.464 5.720 -6.988 360 HB2 LEU 47 HB2 LEU 47 -8.261 5.511 -9.883 361 HB3 LEU 47 HB1 LEU 47 -7.150 4.414 -9.092 362 HG LEU 47 HG LEU 47 -10.047 4.786 -8.325 363 HD11 LEU 47 HD11 LEU 47 -10.365 2.571 -9.315 364 HD12 LEU 47 HD12 LEU 47 -8.685 2.569 -9.850 365 HD13 LEU 47 HD13 LEU 47 -9.821 3.745 -10.513 366 HD21 LEU 47 HD21 LEU 47 -9.648 2.709 -7.019 367 HD22 LEU 47 HD22 LEU 47 -8.758 4.104 -6.424 368 HD23 LEU 47 HD23 LEU 47 -7.927 2.869 -7.366 369 H LEU 48 HN LEU 48 -7.264 8.069 -9.543 370 HA LEU 48 HA LEU 48 -4.549 7.597 -10.240 371 HB2 LEU 48 HB2 LEU 48 -6.279 10.033 -10.694 372 HB3 LEU 48 HB1 LEU 48 -4.692 9.795 -11.393 373 HG LEU 48 HG LEU 48 -5.701 7.674 -12.462 374 HD11 LEU 48 HD11 LEU 48 -8.224 9.168 -11.767 375 HD12 LEU 48 HD12 LEU 48 -7.754 7.571 -11.185 376 HD13 LEU 48 HD13 LEU 48 -8.115 7.817 -12.892 377 HD21 LEU 48 HD21 LEU 48 -6.531 8.968 -14.353 378 HD22 LEU 48 HD22 LEU 48 -5.048 9.668 -13.702 379 HD23 LEU 48 HD23 LEU 48 -6.606 10.410 -13.340 380 H GLU 49 HN GLU 49 -6.188 10.090 -8.358 381 HA GLU 49 HA GLU 49 -3.902 11.405 -7.372 382 HB2 GLU 49 HB2 GLU 49 -6.347 11.143 -5.672 383 HB3 GLU 49 HB1 GLU 49 -5.357 12.562 -5.980 384 HG2 GLU 49 HG2 GLU 49 -7.301 11.305 -7.894 385 HG3 GLU 49 HG1 GLU 49 -7.567 12.781 -6.961 386 H ARG 50 HN ARG 50 -5.745 8.640 -6.427 387 HA ARG 50 HA ARG 50 -4.713 8.141 -3.882 388 HB2 ARG 50 HB2 ARG 50 -5.803 6.362 -6.058 389 HB3 ARG 50 HB1 ARG 50 -5.308 5.714 -4.484 390 HG2 ARG 50 HG2 ARG 50 -6.927 7.387 -3.473 391 HG3 ARG 50 HG1 ARG 50 -7.527 7.637 -5.111 392 HD2 ARG 50 HD2 ARG 50 -7.741 5.053 -5.151 393 HD3 ARG 50 HD1 ARG 50 -7.662 5.188 -3.398 394 HE ARG 50 HE ARG 50 -9.580 6.994 -4.389 395 HH11 ARG 50 HH11 ARG 50 -9.112 3.557 -3.843 396 HH12 ARG 50 HH12 ARG 50 -10.816 3.220 -3.793 397 HH21 ARG 50 HH21 ARG 50 -11.787 6.551 -4.313 398 HH22 ARG 50 HH22 ARG 50 -12.339 4.923 -4.052 399 H HIS 51 HN HIS 51 -3.687 6.878 -7.034 400 HA HIS 51 HA HIS 51 -1.463 5.477 -5.943 401 HB2 HIS 51 HB2 HIS 51 -2.121 6.229 -8.793 402 HB3 HIS 51 HB1 HIS 51 -0.752 5.221 -8.340 403 HD1 HIS 51 HD1 HIS 51 -3.747 4.685 -9.849 404 HD2 HIS 51 HD2 HIS 51 -2.128 3.089 -6.391 405 HE1 HIS 51 HE1 HIS 51 -4.940 2.517 -9.458 406 HE2 HIS 51 HE2 HIS 51 -3.876 1.524 -7.427 407 H ARG 52 HN ARG 52 -1.867 8.657 -7.362 408 HA ARG 52 HA ARG 52 0.958 9.122 -7.567 409 HB2 ARG 52 HB2 ARG 52 -1.437 10.937 -7.835 410 HB3 ARG 52 HB1 ARG 52 0.216 11.534 -7.938 411 HG2 ARG 52 HG2 ARG 52 0.617 9.933 -9.794 412 HG3 ARG 52 HG1 ARG 52 -1.093 9.508 -9.739 413 HD2 ARG 52 HD2 ARG 52 -0.093 12.315 -10.163 414 HD3 ARG 52 HD1 ARG 52 -0.437 11.201 -11.483 415 HE ARG 52 HE ARG 52 -2.559 11.803 -9.551 416 HH11 ARG 52 HH11 ARG 52 -1.231 12.140 -12.771 417 HH12 ARG 52 HH12 ARG 52 -2.718 12.689 -13.467 418 HH21 ARG 52 HH21 ARG 52 -4.549 12.517 -10.489 419 HH22 ARG 52 HH22 ARG 52 -4.590 12.888 -12.186 420 H MET 53 HN MET 53 -1.246 9.070 -5.066 421 HA MET 53 HA MET 53 0.266 10.968 -3.454 422 HB2 MET 53 HB2 MET 53 -2.403 9.694 -3.258 423 HB3 MET 53 HB1 MET 53 -1.578 9.976 -1.742 424 HG2 MET 53 HG2 MET 53 -1.769 12.199 -3.703 425 HG3 MET 53 HG1 MET 53 -3.198 11.759 -2.776 426 HE1 MET 53 HE1 MET 53 0.739 13.361 -0.937 427 HE2 MET 53 HE2 MET 53 0.462 13.149 -2.665 428 HE3 MET 53 HE3 MET 53 0.645 11.739 -1.622 429 H VAL 54 HN VAL 54 -0.484 7.583 -3.757 430 HA VAL 54 HA VAL 54 0.885 6.743 -1.417 431 HB VAL 54 HB VAL 54 -0.801 5.573 -3.170 432 HG11 VAL 54 HG11 VAL 54 0.880 5.181 -4.867 433 HG12 VAL 54 HG12 VAL 54 0.259 3.661 -4.221 434 HG13 VAL 54 HG13 VAL 54 1.839 4.256 -3.711 435 HG21 VAL 54 HG21 VAL 54 1.046 4.136 -1.278 436 HG22 VAL 54 HG22 VAL 54 -0.500 3.526 -1.867 437 HG23 VAL 54 HG23 VAL 54 -0.449 4.955 -0.833 438 H ASN 55 HN ASN 55 1.730 7.059 -4.805 439 HA ASN 55 HA ASN 55 4.345 5.966 -4.390 440 HB2 ASN 55 HB2 ASN 55 4.722 6.145 -6.634 441 HB3 ASN 55 HB1 ASN 55 2.967 6.035 -6.632 442 HD21 ASN 55 HD21 ASN 55 2.450 8.645 -5.759 443 HD22 ASN 55 HD22 ASN 55 2.983 9.780 -6.951 444 H ALA 56 HN ALA 56 2.895 8.980 -3.935 445 HA ALA 56 HA ALA 56 5.151 10.643 -4.175 446 HB1 ALA 56 HB1 ALA 56 2.913 10.853 -2.158 447 HB2 ALA 56 HB2 ALA 56 2.893 11.528 -3.787 448 HB3 ALA 56 HB3 ALA 56 4.039 12.136 -2.594 449 H ALA 57 HN ALA 57 3.944 8.651 -1.554 450 HA ALA 57 HA ALA 57 6.274 9.162 0.112 451 HB1 ALA 57 HB1 ALA 57 4.109 9.057 1.181 452 HB2 ALA 57 HB2 ALA 57 5.084 7.684 1.711 453 HB3 ALA 57 HB3 ALA 57 3.818 7.456 0.501 454 H LEU 58 HN LEU 58 5.568 7.240 -2.446 455 HA LEU 58 HA LEU 58 7.153 4.955 -1.492 456 HB2 LEU 58 HB2 LEU 58 4.594 4.929 -2.443 457 HB3 LEU 58 HB1 LEU 58 5.503 4.640 -3.910 458 HG LEU 58 HG LEU 58 5.885 2.947 -1.454 459 HD11 LEU 58 HD11 LEU 58 3.956 2.540 -3.740 460 HD12 LEU 58 HD12 LEU 58 3.528 2.863 -2.060 461 HD13 LEU 58 HD13 LEU 58 4.329 1.353 -2.490 462 HD21 LEU 58 HD21 LEU 58 6.826 1.372 -2.980 463 HD22 LEU 58 HD22 LEU 58 7.590 2.931 -3.296 464 HD23 LEU 58 HD23 LEU 58 6.327 2.334 -4.370 465 H GLU 59 HN GLU 59 7.256 7.653 -3.312 466 HA GLU 59 HA GLU 59 8.525 6.756 -5.697 467 HB2 GLU 59 HB2 GLU 59 7.379 8.994 -5.373 468 HB3 GLU 59 HB1 GLU 59 8.740 9.473 -4.349 469 HG2 GLU 59 HG2 GLU 59 9.047 8.669 -7.231 470 HG3 GLU 59 HG1 GLU 59 8.763 10.326 -6.710 471 H GLU 60 HN GLU 60 9.584 7.892 -2.603 472 HA GLU 60 HA GLU 60 12.388 7.805 -3.006 473 HB2 GLU 60 HB2 GLU 60 11.416 7.296 -0.279 474 HB3 GLU 60 HB1 GLU 60 12.471 8.573 -0.863 475 HG2 GLU 60 HG2 GLU 60 10.628 9.938 -1.467 476 HG3 GLU 60 HG1 GLU 60 9.482 8.613 -1.242 477 H GLU 61 HN GLU 61 9.904 5.679 -1.893 478 HA GLU 61 HA GLU 61 11.568 3.665 -0.800 479 HB2 GLU 61 HB2 GLU 61 8.986 4.289 -0.554 480 HB3 GLU 61 HB1 GLU 61 8.832 3.072 -1.810 481 HG2 GLU 61 HG2 GLU 61 8.500 2.010 0.296 482 HG3 GLU 61 HG1 GLU 61 10.059 1.483 -0.339 483 H MET 62 HN MET 62 9.924 4.173 -3.875 484 HA MET 62 HA MET 62 10.420 1.585 -4.905 485 HB2 MET 62 HB2 MET 62 8.610 3.063 -5.713 486 HB3 MET 62 HB1 MET 62 9.815 4.146 -6.393 487 HG2 MET 62 HG2 MET 62 10.546 2.406 -7.917 488 HG3 MET 62 HG1 MET 62 9.386 1.282 -7.211 489 HE1 MET 62 HE1 MET 62 8.460 0.759 -9.629 490 HE2 MET 62 HE2 MET 62 9.577 1.913 -10.357 491 HE3 MET 62 HE3 MET 62 7.859 1.985 -10.743 492 H LYS 63 HN LYS 63 12.244 4.561 -4.864 493 HA LYS 63 HA LYS 63 14.021 3.641 -6.958 494 HB2 LYS 63 HB2 LYS 63 15.265 5.692 -6.595 495 HB3 LYS 63 HB1 LYS 63 13.549 6.037 -6.732 496 HG2 LYS 63 HG2 LYS 63 13.437 6.150 -4.254 497 HG3 LYS 63 HG1 LYS 63 15.193 5.973 -4.216 498 HD2 LYS 63 HD2 LYS 63 13.692 8.180 -5.623 499 HD3 LYS 63 HD1 LYS 63 14.477 8.324 -4.051 500 HE2 LYS 63 HE2 LYS 63 16.638 7.864 -5.061 501 HE3 LYS 63 HE1 LYS 63 15.874 7.626 -6.632 502 HZ1 LYS 63 HZ1 LYS 63 15.170 9.930 -6.602 503 HZ2 LYS 63 HZ2 LYS 63 16.849 9.827 -6.439 504 HZ3 LYS 63 HZ3 LYS 63 15.888 10.162 -5.090 505 H GLU 64 HN GLU 64 13.685 3.006 -3.685 506 HA GLU 64 HA GLU 64 16.535 2.321 -3.428 507 HB2 GLU 64 HB2 GLU 64 15.569 3.647 -1.587 508 HB3 GLU 64 HB1 GLU 64 14.383 2.380 -1.306 509 HG2 GLU 64 HG2 GLU 64 16.188 2.274 0.317 510 HG3 GLU 64 HG1 GLU 64 16.158 0.831 -0.696 511 H ILE 65 HN ILE 65 13.372 1.027 -3.736 512 HA ILE 65 HA ILE 65 14.377 -1.698 -3.292 513 HB ILE 65 HB ILE 65 12.189 -2.442 -2.937 514 HG12 ILE 65 HG12 ILE 65 11.481 -0.249 -4.733 515 HG13 ILE 65 HG11 ILE 65 10.698 -1.792 -4.488 516 HG21 ILE 65 HG21 ILE 65 12.196 0.363 -1.834 517 HG22 ILE 65 HG22 ILE 65 13.013 -1.021 -1.114 518 HG23 ILE 65 HG23 ILE 65 11.253 -0.999 -1.228 519 HD11 ILE 65 HD11 ILE 65 9.526 -0.926 -2.548 520 HD12 ILE 65 HD12 ILE 65 9.191 0.032 -3.990 521 HD13 ILE 65 HD13 ILE 65 10.310 0.638 -2.769 522 H HIS 66 HN HIS 66 12.681 -3.130 -4.923 523 HA HIS 66 HA HIS 66 13.482 -2.141 -7.574 524 HB2 HIS 66 HB2 HIS 66 14.407 -4.345 -6.870 525 HB3 HIS 66 HB1 HIS 66 12.761 -4.975 -6.829 526 HD1 HIS 66 HD1 HIS 66 14.689 -2.951 -9.402 527 HD2 HIS 66 HD2 HIS 66 12.363 -6.363 -9.105 528 HE1 HIS 66 HE1 HIS 66 14.442 -3.819 -11.722 529 HE2 HIS 66 HE2 HIS 66 12.896 -5.776 -11.551 530 H ALA 67 HN ALA 67 10.761 -2.897 -5.601 531 HA ALA 67 HA ALA 67 8.856 -1.836 -7.343 532 HB1 ALA 67 HB1 ALA 67 9.337 -3.797 -8.737 533 HB2 ALA 67 HB2 ALA 67 7.677 -3.809 -8.139 534 HB3 ALA 67 HB3 ALA 67 8.889 -4.853 -7.396 535 H LEU 68 HN LEU 68 7.272 -1.193 -6.038 536 HA LEU 68 HA LEU 68 6.237 -3.085 -4.032 537 HB2 LEU 68 HB2 LEU 68 7.341 -0.616 -3.449 538 HB3 LEU 68 HB1 LEU 68 5.625 -0.265 -3.562 539 HG LEU 68 HG LEU 68 5.615 -2.483 -1.963 540 HD11 LEU 68 HD11 LEU 68 7.996 -0.839 -1.138 541 HD12 LEU 68 HD12 LEU 68 8.072 -2.452 -1.841 542 HD13 LEU 68 HD13 LEU 68 7.307 -2.211 -0.272 543 HD21 LEU 68 HD21 LEU 68 5.801 0.404 -1.117 544 HD22 LEU 68 HD22 LEU 68 5.195 -0.923 -0.124 545 HD23 LEU 68 HD23 LEU 68 4.337 -0.458 -1.593 546 H SER 69 HN SER 69 4.438 -3.826 -4.999 547 HA SER 69 HA SER 69 2.946 -2.114 -6.800 548 HB2 SER 69 HB2 SER 69 2.483 -4.996 -6.006 549 HB3 SER 69 HB1 SER 69 1.691 -4.144 -7.330 550 HG SER 69 HG SER 69 4.178 -5.282 -7.210 551 H ILE 70 HN ILE 70 1.474 -0.789 -5.986 552 HA ILE 70 HA ILE 70 0.172 -1.303 -3.487 553 HB ILE 70 HB ILE 70 0.788 0.971 -4.034 554 HG12 ILE 70 HG12 ILE 70 -1.381 2.127 -3.678 555 HG13 ILE 70 HG11 ILE 70 -2.215 0.612 -3.987 556 HG21 ILE 70 HG21 ILE 70 -1.097 0.791 -6.369 557 HG22 ILE 70 HG22 ILE 70 0.664 0.867 -6.448 558 HG23 ILE 70 HG23 ILE 70 -0.250 2.241 -5.828 559 HD11 ILE 70 HD11 ILE 70 -0.249 1.093 -1.765 560 HD12 ILE 70 HD12 ILE 70 -1.160 -0.389 -2.054 561 HD13 ILE 70 HD13 ILE 70 -2.005 1.091 -1.606 562 H LYS 71 HN LYS 71 -0.899 -3.146 -3.779 563 HA LYS 71 HA LYS 71 -2.464 -3.781 -6.050 564 HB2 LYS 71 HB2 LYS 71 -2.839 -4.991 -3.312 565 HB3 LYS 71 HB1 LYS 71 -3.080 -5.755 -4.877 566 HG2 LYS 71 HG2 LYS 71 -0.413 -4.856 -3.846 567 HG3 LYS 71 HG1 LYS 71 -1.048 -6.491 -3.636 568 HD2 LYS 71 HD2 LYS 71 -0.600 -5.126 -6.292 569 HD3 LYS 71 HD1 LYS 71 0.489 -6.307 -5.562 570 HE2 LYS 71 HE2 LYS 71 -1.432 -7.924 -5.548 571 HE3 LYS 71 HE1 LYS 71 -2.342 -6.749 -6.496 572 HZ1 LYS 71 HZ1 LYS 71 -0.684 -6.891 -8.227 573 HZ2 LYS 71 HZ2 LYS 71 -1.280 -8.436 -7.882 574 HZ3 LYS 71 HZ3 LYS 71 0.242 -7.968 -7.301 575 H LYS 72 HN LYS 72 -3.026 -2.152 -3.098 576 HA LYS 72 HA LYS 72 -5.801 -1.677 -3.810 577 HB2 LYS 72 HB2 LYS 72 -4.930 -3.363 -1.586 578 HB3 LYS 72 HB1 LYS 72 -6.082 -2.107 -1.141 579 HG2 LYS 72 HG2 LYS 72 -7.728 -2.935 -2.522 580 HG3 LYS 72 HG1 LYS 72 -6.584 -3.820 -3.528 581 HD2 LYS 72 HD2 LYS 72 -7.923 -5.321 -2.106 582 HD3 LYS 72 HD1 LYS 72 -6.198 -5.429 -1.766 583 HE2 LYS 72 HE2 LYS 72 -6.534 -3.907 0.161 584 HE3 LYS 72 HE1 LYS 72 -8.270 -3.946 -0.156 585 HZ1 LYS 72 HZ1 LYS 72 -8.240 -6.335 0.203 586 HZ2 LYS 72 HZ2 LYS 72 -7.650 -5.524 1.562 587 HZ3 LYS 72 HZ3 LYS 72 -6.571 -6.297 0.505 588 H ALA 73 HN ALA 73 -6.158 0.268 -3.759 589 HA ALA 73 HA ALA 73 -4.968 1.970 -1.672 590 HB1 ALA 73 HB1 ALA 73 -5.005 3.836 -3.283 591 HB2 ALA 73 HB2 ALA 73 -5.594 2.742 -4.534 592 HB3 ALA 73 HB3 ALA 73 -3.984 2.516 -3.853 593 H GLN 74 HN GLN 74 -6.665 1.922 -0.297 594 HA GLN 74 HA GLN 74 -9.129 3.197 -1.166 595 HB2 GLN 74 HB2 GLN 74 -10.430 1.276 -0.036 596 HB3 GLN 74 HB1 GLN 74 -9.808 1.034 -1.662 597 HG2 GLN 74 HG2 GLN 74 -7.841 -0.119 -0.661 598 HG3 GLN 74 HG1 GLN 74 -8.644 -0.010 0.903 599 HE21 GLN 74 HE21 GLN 74 -10.423 -0.527 -2.051 600 HE22 GLN 74 HE22 GLN 74 -10.857 -2.170 -1.727 601 H THR 75 HN THR 75 -10.577 3.667 0.597 602 HA THR 75 HA THR 75 -9.187 4.162 3.111 603 HB THR 75 HB THR 75 -11.255 5.931 3.073 604 HG1 THR 75 HG1 THR 75 -10.328 6.601 0.636 605 HG21 THR 75 HG21 THR 75 -8.456 6.392 2.037 606 HG22 THR 75 HG22 THR 75 -8.918 6.357 3.736 607 HG23 THR 75 HG23 THR 75 -9.548 7.616 2.679 608 HA PRO 76 HA PRO 76 -12.076 2.099 5.647 609 HB2 PRO 76 HB2 PRO 76 -12.819 4.717 6.862 610 HB3 PRO 76 HB1 PRO 76 -12.337 3.209 7.646 611 HG2 PRO 76 HG2 PRO 76 -10.630 5.238 7.460 612 HG3 PRO 76 HG1 PRO 76 -10.082 3.565 7.244 613 HD2 PRO 76 HD2 PRO 76 -10.554 5.685 5.200 614 HD3 PRO 76 HD1 PRO 76 -9.325 4.406 5.238 615 H GLN 77 HN GLN 77 -13.196 5.049 4.037 616 HA GLN 77 HA GLN 77 -15.934 4.665 4.778 617 HB2 GLN 77 HB2 GLN 77 -16.317 6.684 3.893 618 HB3 GLN 77 HB1 GLN 77 -14.574 6.765 3.696 619 HG2 GLN 77 HG2 GLN 77 -16.122 5.524 1.511 620 HG3 GLN 77 HG1 GLN 77 -16.232 7.281 1.701 621 HE21 GLN 77 HE21 GLN 77 -13.575 5.280 2.525 622 HE22 GLN 77 HE22 GLN 77 -12.487 5.834 1.306 623 H GLN 78 HN GLN 78 -14.075 3.468 2.099 624 HA GLN 78 HA GLN 78 -16.489 2.381 0.841 625 HB2 GLN 78 HB2 GLN 78 -13.620 2.089 -0.026 626 HB3 GLN 78 HB1 GLN 78 -15.035 1.608 -0.951 627 HG2 GLN 78 HG2 GLN 78 -15.098 3.618 -1.886 628 HG3 GLN 78 HG1 GLN 78 -15.285 4.358 -0.287 629 HE21 GLN 78 HE21 GLN 78 -12.864 3.393 0.728 630 HE22 GLN 78 HE22 GLN 78 -11.617 4.368 0.035 631 H TRP 79 HN TRP 79 -13.716 1.555 2.705 632 HA TRP 79 HA TRP 79 -13.987 -1.238 2.803 633 HB2 TRP 79 HB2 TRP 79 -12.608 0.887 4.219 634 HB3 TRP 79 HB1 TRP 79 -13.193 -0.337 5.340 635 HD1 TRP 79 HD1 TRP 79 -11.776 -0.977 1.802 636 HE1 TRP 79 HE1 TRP 79 -9.739 -2.540 2.038 637 HE3 TRP 79 HE3 TRP 79 -11.483 -1.142 6.887 638 HZ2 TRP 79 HZ2 TRP 79 -8.207 -3.685 4.140 639 HZ3 TRP 79 HZ3 TRP 79 -9.713 -2.481 7.940 640 HH2 TRP 79 HH2 TRP 79 -8.107 -3.717 6.590 641 H LYS 80 HN LYS 80 -15.891 1.328 3.813 642 HA LYS 80 HA LYS 80 -17.570 -0.375 5.552 643 HB2 LYS 80 HB2 LYS 80 -17.515 2.639 5.246 644 HB3 LYS 80 HB1 LYS 80 -18.530 1.744 6.371 645 HG2 LYS 80 HG2 LYS 80 -15.521 1.848 6.417 646 HG3 LYS 80 HG1 LYS 80 -16.597 2.795 7.449 647 HD2 LYS 80 HD2 LYS 80 -16.560 -0.219 7.387 648 HD3 LYS 80 HD1 LYS 80 -15.642 0.754 8.538 649 HE2 LYS 80 HE2 LYS 80 -17.744 1.771 9.317 650 HE3 LYS 80 HE1 LYS 80 -18.638 0.742 8.200 651 HZ1 LYS 80 HZ1 LYS 80 -18.639 -0.170 10.426 652 HZ2 LYS 80 HZ2 LYS 80 -16.950 -0.206 10.450 653 HZ3 LYS 80 HZ3 LYS 80 -17.799 -1.194 9.376 654 HA PRO 81 HA PRO 81 -20.845 0.283 2.443 655 HB2 PRO 81 HB2 PRO 81 -22.768 -0.074 4.620 656 HB3 PRO 81 HB1 PRO 81 -22.515 -1.085 3.196 657 HG2 PRO 81 HG2 PRO 81 -21.876 -1.904 5.696 658 HG3 PRO 81 HG1 PRO 81 -20.988 -2.431 4.257 659 HD2 PRO 81 HD2 PRO 81 -20.259 -0.337 6.271 660 HD3 PRO 81 HD1 PRO 81 -19.229 -1.551 5.482 661 HA PRO 82 HA PRO 82 -20.353 4.560 3.439 662 HB2 PRO 82 HB2 PRO 82 -22.558 5.366 1.803 663 HB3 PRO 82 HB1 PRO 82 -20.837 5.461 1.437 664 HG2 PRO 82 HG2 PRO 82 -22.824 3.448 0.616 665 HG3 PRO 82 HG1 PRO 82 -21.289 3.890 -0.146 666 HD2 PRO 82 HD2 PRO 82 -21.627 1.558 1.161 667 HD3 PRO 82 HD1 PRO 82 -20.075 2.420 1.162 668 H SER 83 HN SER 83 -20.905 5.238 5.304 669 HA SER 83 HA SER 83 -22.879 6.458 6.452 670 HB2 SER 83 HB2 SER 83 -24.479 4.673 5.627 671 HB3 SER 83 HB1 SER 83 -23.648 3.531 6.677 672 HG SER 83 HG SER 83 -25.375 4.247 7.824 673 H GLN 84 HN GLN 84 -20.509 6.600 7.205 674 HA GLN 84 HA GLN 84 -19.862 4.489 9.140 675 HB2 GLN 84 HB2 GLN 84 -17.553 4.926 8.753 676 HB3 GLN 84 HB1 GLN 84 -18.326 4.842 7.179 677 HG2 GLN 84 HG2 GLN 84 -18.397 7.316 7.131 678 HG3 GLN 84 HG1 GLN 84 -17.488 7.332 8.640 679 HE21 GLN 84 HE21 GLN 84 -16.000 4.915 7.736 680 HE22 GLN 84 HE22 GLN 84 -14.819 5.514 6.638 681 H ASP 85 HN ASP 85 -19.947 7.977 8.646 682 HA ASP 85 HA ASP 85 -19.306 8.398 11.455 683 HB2 ASP 85 HB2 ASP 85 -18.168 9.798 9.750 684 HB3 ASP 85 HB1 ASP 85 -19.734 10.442 9.269 685 H SER 86 HN SER 86 -21.895 7.958 9.502 686 HA SER 86 HA SER 86 -23.819 9.808 10.090 687 HB2 SER 86 HB2 SER 86 -25.419 7.830 9.713 688 HB3 SER 86 HB1 SER 86 -24.278 8.212 8.421 689 HG SER 86 HG SER 86 -24.274 5.980 8.854 690 H ALA 87 HN ALA 87 -22.877 7.003 12.042 691 HA ALA 87 HA ALA 87 -24.526 8.130 14.192 692 HB1 ALA 87 HB1 ALA 87 -24.136 5.194 13.645 693 HB2 ALA 87 HB2 ALA 87 -25.596 6.117 13.289 694 HB3 ALA 87 HB3 ALA 87 -25.081 5.892 14.961 695 H THR 88 HN THR 88 -21.554 8.020 13.367 696 HA THR 88 HA THR 88 -20.485 7.044 15.895 697 HB THR 88 HB THR 88 -18.956 8.174 13.548 698 HG1 THR 88 HG1 THR 88 -19.160 6.259 12.678 699 HG21 THR 88 HG21 THR 88 -18.030 6.516 15.898 700 HG22 THR 88 HG22 THR 88 -17.738 8.242 15.686 701 HG23 THR 88 HG23 THR 88 -17.024 7.082 14.567 702 H LEU 89 HN LEU 89 -21.183 9.876 14.150 703 HA LEU 89 HA LEU 89 -20.704 11.455 16.569 704 HB2 LEU 89 HB2 LEU 89 -19.897 12.229 13.765 705 HB3 LEU 89 HB1 LEU 89 -20.044 13.384 15.074 706 HG LEU 89 HG LEU 89 -18.123 11.051 15.020 707 HD11 LEU 89 HD11 LEU 89 -16.400 12.778 14.790 708 HD12 LEU 89 HD12 LEU 89 -17.656 14.009 14.666 709 HD13 LEU 89 HD13 LEU 89 -17.506 12.772 13.418 710 HD21 LEU 89 HD21 LEU 89 -18.806 11.586 17.285 711 HD22 LEU 89 HD22 LEU 89 -18.475 13.296 17.004 712 HD23 LEU 89 HD23 LEU 89 -17.152 12.131 17.009 713 H THR 90 HN THR 90 -22.567 10.542 13.920 714 HA THR 90 HA THR 90 -24.743 10.842 13.403 715 HB THR 90 HB THR 90 -24.969 12.769 15.726 716 HG1 THR 90 HG1 THR 90 -25.022 11.065 17.045 717 HG21 THR 90 HG21 THR 90 -26.989 10.950 14.396 718 HG22 THR 90 HG22 THR 90 -26.912 12.702 14.219 719 HG23 THR 90 HG23 THR 90 -27.299 11.989 15.785 720 H LYS 91 HN LYS 91 -22.526 12.567 12.409 721 HA LYS 91 HA LYS 91 -24.217 14.764 11.432 722 HB2 LYS 91 HB2 LYS 91 -21.241 14.710 11.906 723 HB3 LYS 91 HB1 LYS 91 -21.992 15.889 10.846 724 HG2 LYS 91 HG2 LYS 91 -21.702 16.976 12.898 725 HG3 LYS 91 HG1 LYS 91 -23.415 16.560 12.832 726 HD2 LYS 91 HD2 LYS 91 -23.071 14.683 14.288 727 HD3 LYS 91 HD1 LYS 91 -21.324 14.915 14.239 728 HE2 LYS 91 HE2 LYS 91 -23.275 16.934 15.332 729 HE3 LYS 91 HE1 LYS 91 -22.402 15.761 16.317 730 HZ1 LYS 91 HZ1 LYS 91 -20.318 16.734 15.508 731 HZ2 LYS 91 HZ2 LYS 91 -21.264 17.862 16.337 732 HZ3 LYS 91 HZ3 LYS 91 -21.191 17.901 14.650 733 H ASP 92 HN ASP 92 -22.133 12.122 10.754 734 HA ASP 92 HA ASP 92 -21.739 10.903 8.877 735 HB2 ASP 92 HB2 ASP 92 -24.081 11.219 8.245 736 HB3 ASP 92 HB1 ASP 92 -23.704 12.794 7.556 737 H ALA 93 HN ALA 93 -20.789 13.877 9.512 738 HA ALA 93 HA ALA 93 -19.614 14.584 6.968 739 HB1 ALA 93 HB1 ALA 93 -18.894 16.628 8.090 740 HB2 ALA 93 HB2 ALA 93 -19.471 15.989 9.629 741 HB3 ALA 93 HB3 ALA 93 -20.616 16.339 8.334 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 20.225 -7.311 -1.274 2 H2 MET 1 HT2 MET 1 20.487 -6.453 0.159 3 H3 MET 1 HT3 MET 1 19.571 -5.764 -1.079 4 HA MET 1 HA MET 1 17.852 -7.372 -0.807 5 HB2 MET 1 HB2 MET 1 19.674 -8.490 1.332 6 HB3 MET 1 HB1 MET 1 17.979 -8.920 1.178 7 HG2 MET 1 HG2 MET 1 19.243 -10.643 0.166 8 HG3 MET 1 HG1 MET 1 18.473 -9.731 -1.129 9 HE1 MET 1 HE1 MET 1 21.681 -8.840 1.018 10 HE2 MET 1 HE2 MET 1 22.951 -9.473 -0.027 11 HE3 MET 1 HE3 MET 1 21.802 -10.576 0.733 12 H VAL 2 HN VAL 2 16.523 -5.765 -0.233 13 HA VAL 2 HA VAL 2 16.933 -4.301 2.223 14 HB VAL 2 HB VAL 2 16.037 -3.310 0.031 15 HG11 VAL 2 HG11 VAL 2 13.657 -3.435 -0.348 16 HG12 VAL 2 HG12 VAL 2 13.463 -4.512 1.034 17 HG13 VAL 2 HG13 VAL 2 14.350 -5.057 -0.394 18 HG21 VAL 2 HG21 VAL 2 14.581 -1.753 1.214 19 HG22 VAL 2 HG22 VAL 2 16.049 -2.103 2.124 20 HG23 VAL 2 HG23 VAL 2 14.524 -2.856 2.586 21 H THR 3 HN THR 3 15.284 -4.192 3.882 22 HA THR 3 HA THR 3 13.983 -6.780 4.255 23 HB THR 3 HB THR 3 13.688 -6.049 6.597 24 HG1 THR 3 HG1 THR 3 15.111 -4.030 7.006 25 HG21 THR 3 HG21 THR 3 15.719 -7.253 6.012 26 HG22 THR 3 HG22 THR 3 16.071 -6.031 7.233 27 HG23 THR 3 HG23 THR 3 16.504 -5.743 5.550 28 H LYS 4 HN LYS 4 11.798 -6.943 4.701 29 HA LYS 4 HA LYS 4 10.100 -4.898 3.632 30 HB2 LYS 4 HB2 LYS 4 9.561 -7.338 3.480 31 HB3 LYS 4 HB1 LYS 4 9.340 -7.360 5.224 32 HG2 LYS 4 HG2 LYS 4 7.569 -5.602 4.915 33 HG3 LYS 4 HG1 LYS 4 7.699 -5.891 3.181 34 HD2 LYS 4 HD2 LYS 4 5.860 -7.170 4.072 35 HD3 LYS 4 HD1 LYS 4 7.146 -8.267 3.573 36 HE2 LYS 4 HE2 LYS 4 6.122 -8.868 5.748 37 HE3 LYS 4 HE1 LYS 4 7.851 -8.567 5.849 38 HZ1 LYS 4 HZ1 LYS 4 5.982 -6.362 6.404 39 HZ2 LYS 4 HZ2 LYS 4 7.540 -6.642 7.020 40 HZ3 LYS 4 HZ3 LYS 4 6.232 -7.550 7.586 41 H GLU 5 HN GLU 5 11.707 -5.343 6.460 42 HA GLU 5 HA GLU 5 9.628 -4.549 8.279 43 HB2 GLU 5 HB2 GLU 5 12.561 -5.084 8.689 44 HB3 GLU 5 HB1 GLU 5 11.420 -4.746 9.990 45 HG2 GLU 5 HG2 GLU 5 11.506 -7.123 8.160 46 HG3 GLU 5 HG1 GLU 5 11.711 -7.090 9.910 47 H GLN 6 HN GLN 6 12.249 -3.115 6.565 48 HA GLN 6 HA GLN 6 11.928 -0.584 7.912 49 HB2 GLN 6 HB2 GLN 6 13.434 0.311 6.215 50 HB3 GLN 6 HB1 GLN 6 14.103 -1.149 6.923 51 HG2 GLN 6 HG2 GLN 6 14.501 -1.740 4.817 52 HG3 GLN 6 HG1 GLN 6 12.781 -2.135 4.758 53 HE21 GLN 6 HE21 GLN 6 11.369 -0.714 3.693 54 HE22 GLN 6 HE22 GLN 6 11.944 0.513 2.610 55 H VAL 7 HN VAL 7 10.592 -2.328 5.258 56 HA VAL 7 HA VAL 7 9.305 -0.169 3.890 57 HB VAL 7 HB VAL 7 8.786 -3.149 4.030 58 HG11 VAL 7 HG11 VAL 7 7.218 -2.855 2.145 59 HG12 VAL 7 HG12 VAL 7 7.307 -1.110 2.384 60 HG13 VAL 7 HG13 VAL 7 6.643 -2.144 3.650 61 HG21 VAL 7 HG21 VAL 7 9.868 -1.383 1.839 62 HG22 VAL 7 HG22 VAL 7 9.573 -3.116 1.699 63 HG23 VAL 7 HG23 VAL 7 10.791 -2.517 2.828 64 H GLU 8 HN GLU 8 8.702 -2.221 6.517 65 HA GLU 8 HA GLU 8 5.995 -1.841 7.051 66 HB2 GLU 8 HB2 GLU 8 8.446 -2.668 8.527 67 HB3 GLU 8 HB1 GLU 8 6.939 -2.445 9.428 68 HG2 GLU 8 HG2 GLU 8 7.572 -4.422 7.257 69 HG3 GLU 8 HG1 GLU 8 7.135 -4.750 8.929 70 H ALA 9 HN ALA 9 8.916 -0.326 8.390 71 HA ALA 9 HA ALA 9 7.380 1.311 10.189 72 HB1 ALA 9 HB1 ALA 9 10.334 1.325 9.551 73 HB2 ALA 9 HB2 ALA 9 9.562 0.446 10.872 74 HB3 ALA 9 HB3 ALA 9 9.562 2.209 10.867 75 H SER 10 HN SER 10 8.734 1.490 7.048 76 HA SER 10 HA SER 10 8.878 4.369 6.951 77 HB2 SER 10 HB2 SER 10 10.245 2.888 5.474 78 HB3 SER 10 HB1 SER 10 8.768 2.449 4.616 79 HG SER 10 HG SER 10 9.829 4.141 3.540 80 H LEU 11 HN LEU 11 6.687 1.983 5.487 81 HA LEU 11 HA LEU 11 4.934 3.961 4.465 82 HB2 LEU 11 HB2 LEU 11 4.798 0.989 4.763 83 HB3 LEU 11 HB1 LEU 11 3.370 1.883 4.285 84 HG LEU 11 HG LEU 11 4.559 2.738 2.311 85 HD11 LEU 11 HD11 LEU 11 6.827 0.970 3.210 86 HD12 LEU 11 HD12 LEU 11 6.836 2.732 3.165 87 HD13 LEU 11 HD13 LEU 11 6.724 1.814 1.664 88 HD21 LEU 11 HD21 LEU 11 4.766 0.568 1.109 89 HD22 LEU 11 HD22 LEU 11 3.262 0.766 2.007 90 HD23 LEU 11 HD23 LEU 11 4.550 -0.250 2.657 91 H THR 12 HN THR 12 5.029 2.138 7.479 92 HA THR 12 HA THR 12 2.443 2.833 8.383 93 HB THR 12 HB THR 12 4.936 2.153 9.958 94 HG1 THR 12 HG1 THR 12 4.355 0.354 8.891 95 HG21 THR 12 HG21 THR 12 3.399 1.635 11.820 96 HG22 THR 12 HG22 THR 12 2.066 2.314 10.884 97 HG23 THR 12 HG23 THR 12 3.393 3.350 11.408 98 H SER 13 HN SER 13 5.305 4.691 8.061 99 HA SER 13 HA SER 13 4.465 6.697 9.996 100 HB2 SER 13 HB2 SER 13 6.818 6.621 8.105 101 HB3 SER 13 HB1 SER 13 6.551 7.849 9.345 102 HG SER 13 HG SER 13 7.509 5.279 9.579 103 H LYS 14 HN LYS 14 4.848 6.340 6.507 104 HA LYS 14 HA LYS 14 4.051 9.066 5.973 105 HB2 LYS 14 HB2 LYS 14 4.469 6.756 4.065 106 HB3 LYS 14 HB1 LYS 14 4.341 8.452 3.624 107 HG2 LYS 14 HG2 LYS 14 6.423 8.954 4.663 108 HG3 LYS 14 HG1 LYS 14 6.514 7.344 5.382 109 HD2 LYS 14 HD2 LYS 14 6.681 6.350 3.166 110 HD3 LYS 14 HD1 LYS 14 6.533 7.943 2.425 111 HE2 LYS 14 HE2 LYS 14 8.764 7.054 4.250 112 HE3 LYS 14 HE1 LYS 14 8.860 7.163 2.494 113 HZ1 LYS 14 HZ1 LYS 14 8.304 9.575 2.764 114 HZ2 LYS 14 HZ2 LYS 14 9.816 9.115 3.359 115 HZ3 LYS 14 HZ3 LYS 14 8.535 9.381 4.430 116 H LEU 15 HN LEU 15 2.660 5.897 5.982 117 HA LEU 15 HA LEU 15 0.232 6.859 4.616 118 HB2 LEU 15 HB2 LEU 15 1.623 4.221 4.798 119 HB3 LEU 15 HB1 LEU 15 -0.117 4.230 4.575 120 HG LEU 15 HG LEU 15 0.050 5.228 2.436 121 HD11 LEU 15 HD11 LEU 15 2.141 6.081 1.494 122 HD12 LEU 15 HD12 LEU 15 2.956 5.767 3.027 123 HD13 LEU 15 HD13 LEU 15 1.668 6.970 2.942 124 HD21 LEU 15 HD21 LEU 15 0.672 2.866 2.505 125 HD22 LEU 15 HD22 LEU 15 2.362 3.317 2.719 126 HD23 LEU 15 HD23 LEU 15 1.525 3.722 1.221 127 H LYS 16 HN LYS 16 1.561 5.808 7.516 128 HA LYS 16 HA LYS 16 0.793 5.717 9.614 129 HB2 LYS 16 HB2 LYS 16 -1.825 6.555 8.373 130 HB3 LYS 16 HB1 LYS 16 -1.606 6.326 10.103 131 HG2 LYS 16 HG2 LYS 16 0.114 8.050 10.126 132 HG3 LYS 16 HG1 LYS 16 -0.078 8.271 8.385 133 HD2 LYS 16 HD2 LYS 16 -2.372 8.988 8.705 134 HD3 LYS 16 HD1 LYS 16 -2.242 8.692 10.439 135 HE2 LYS 16 HE2 LYS 16 -0.519 10.408 10.612 136 HE3 LYS 16 HE1 LYS 16 -0.610 10.686 8.875 137 HZ1 LYS 16 HZ1 LYS 16 -2.788 11.152 10.836 138 HZ2 LYS 16 HZ2 LYS 16 -2.932 11.360 9.160 139 HZ3 LYS 16 HZ3 LYS 16 -1.877 12.342 10.053 140 HA PRO 17 HA PRO 17 -0.354 1.541 9.991 141 HB2 PRO 17 HB2 PRO 17 -0.969 1.375 12.609 142 HB3 PRO 17 HB1 PRO 17 0.678 1.668 12.046 143 HG2 PRO 17 HG2 PRO 17 -1.348 3.613 13.076 144 HG3 PRO 17 HG1 PRO 17 0.386 3.511 13.431 145 HD2 PRO 17 HD2 PRO 17 -0.669 5.274 11.649 146 HD3 PRO 17 HD1 PRO 17 0.972 4.612 11.505 147 H ILE 18 HN ILE 18 -2.477 2.677 8.748 148 HA ILE 18 HA ILE 18 -4.901 2.106 10.247 149 HB ILE 18 HB ILE 18 -4.667 2.609 7.286 150 HG12 ILE 18 HG12 ILE 18 -3.598 4.466 8.521 151 HG13 ILE 18 HG11 ILE 18 -5.081 4.981 7.727 152 HG21 ILE 18 HG21 ILE 18 -6.951 2.964 9.229 153 HG22 ILE 18 HG22 ILE 18 -6.799 1.705 8.003 154 HG23 ILE 18 HG23 ILE 18 -6.993 3.389 7.518 155 HD11 ILE 18 HD11 ILE 18 -6.262 4.838 9.862 156 HD12 ILE 18 HD12 ILE 18 -4.892 5.948 9.936 157 HD13 ILE 18 HD13 ILE 18 -4.764 4.340 10.650 158 H HIS 19 HN HIS 19 -3.960 1.026 6.989 159 HA HIS 19 HA HIS 19 -3.948 -1.738 7.872 160 HB2 HIS 19 HB2 HIS 19 -6.283 -1.387 7.160 161 HB3 HIS 19 HB1 HIS 19 -5.716 -0.782 5.613 162 HD1 HIS 19 HD1 HIS 19 -6.312 -3.930 7.502 163 HD2 HIS 19 HD2 HIS 19 -4.797 -2.753 3.808 164 HE1 HIS 19 HE1 HIS 19 -6.276 -6.006 6.087 165 HE2 HIS 19 HE2 HIS 19 -5.467 -5.256 3.820 166 H LEU 20 HN LEU 20 -1.879 -1.918 7.430 167 HA LEU 20 HA LEU 20 -1.005 -1.506 4.642 168 HB2 LEU 20 HB2 LEU 20 0.024 0.057 6.302 169 HB3 LEU 20 HB1 LEU 20 0.640 -1.335 7.167 170 HG LEU 20 HG LEU 20 1.847 -1.944 5.001 171 HD11 LEU 20 HD11 LEU 20 0.617 -0.459 3.530 172 HD12 LEU 20 HD12 LEU 20 2.333 -0.058 3.526 173 HD13 LEU 20 HD13 LEU 20 1.197 0.941 4.431 174 HD21 LEU 20 HD21 LEU 20 3.721 -0.506 5.558 175 HD22 LEU 20 HD22 LEU 20 2.948 -1.103 7.026 176 HD23 LEU 20 HD23 LEU 20 2.659 0.552 6.485 177 H GLU 21 HN GLU 21 -0.554 -3.369 3.700 178 HA GLU 21 HA GLU 21 0.422 -5.634 5.276 179 HB2 GLU 21 HB2 GLU 21 -1.767 -5.811 3.187 180 HB3 GLU 21 HB1 GLU 21 -1.084 -7.155 4.085 181 HG2 GLU 21 HG2 GLU 21 -2.542 -4.881 5.393 182 HG3 GLU 21 HG1 GLU 21 -3.343 -6.346 4.828 183 H VAL 22 HN VAL 22 2.462 -5.413 4.373 184 HA VAL 22 HA VAL 22 2.629 -5.651 1.465 185 HB VAL 22 HB VAL 22 4.997 -5.345 3.256 186 HG11 VAL 22 HG11 VAL 22 5.951 -4.230 1.304 187 HG12 VAL 22 HG12 VAL 22 4.435 -4.468 0.438 188 HG13 VAL 22 HG13 VAL 22 5.400 -5.861 0.927 189 HG21 VAL 22 HG21 VAL 22 4.822 -2.968 3.261 190 HG22 VAL 22 HG22 VAL 22 3.280 -3.602 3.844 191 HG23 VAL 22 HG23 VAL 22 3.426 -3.015 2.189 192 H ILE 23 HN ILE 23 3.579 -7.366 0.517 193 HA ILE 23 HA ILE 23 4.117 -9.680 2.229 194 HB ILE 23 HB ILE 23 2.946 -9.766 -0.545 195 HG12 ILE 23 HG12 ILE 23 1.364 -8.752 1.049 196 HG13 ILE 23 HG11 ILE 23 0.803 -10.326 0.496 197 HG21 ILE 23 HG21 ILE 23 3.302 -11.913 1.540 198 HG22 ILE 23 HG22 ILE 23 4.207 -11.749 0.035 199 HG23 ILE 23 HG23 ILE 23 2.485 -12.121 -0.009 200 HD11 ILE 23 HD11 ILE 23 2.116 -9.725 3.138 201 HD12 ILE 23 HD12 ILE 23 1.592 -11.318 2.592 202 HD13 ILE 23 HD13 ILE 23 0.402 -10.044 2.866 203 H ASP 24 HN ASP 24 6.212 -9.575 2.237 204 HA ASP 24 HA ASP 24 7.942 -8.937 0.123 205 HB2 ASP 24 HB2 ASP 24 8.778 -8.898 2.382 206 HB3 ASP 24 HB1 ASP 24 8.407 -10.604 2.602 207 H ILE 25 HN ILE 25 7.760 -9.969 -1.745 208 HA ILE 25 HA ILE 25 8.057 -12.893 -1.737 209 HB ILE 25 HB ILE 25 7.229 -11.066 -4.004 210 HG12 ILE 25 HG12 ILE 25 5.456 -12.980 -2.499 211 HG13 ILE 25 HG11 ILE 25 5.658 -11.308 -1.984 212 HG21 ILE 25 HG21 ILE 25 8.263 -13.090 -4.820 213 HG22 ILE 25 HG22 ILE 25 6.524 -13.165 -5.101 214 HG23 ILE 25 HG23 ILE 25 7.245 -14.073 -3.770 215 HD11 ILE 25 HD11 ILE 25 3.655 -11.614 -3.326 216 HD12 ILE 25 HD12 ILE 25 4.642 -12.202 -4.665 217 HD13 ILE 25 HD13 ILE 25 4.809 -10.536 -4.111 218 H SER 26 HN SER 26 9.278 -9.858 -2.894 219 HA SER 26 HA SER 26 11.107 -9.229 -4.043 220 HB2 SER 26 HB2 SER 26 12.040 -10.713 -1.641 221 HB3 SER 26 HB1 SER 26 13.214 -9.979 -2.742 222 HG SER 26 HG SER 26 10.977 -8.549 -1.786 223 H GLY 27 HN GLY 27 10.737 -10.187 -5.971 224 HA2 GLY 27 HA2 GLY 27 13.094 -11.739 -6.728 225 HA3 GLY 27 HA1 GLY 27 11.521 -12.353 -7.228 226 H GLY 28 HN GLY 28 11.916 -8.930 -6.950 227 HA2 GLY 28 HA2 GLY 28 11.278 -8.597 -9.738 228 HA3 GLY 28 HA1 GLY 28 11.579 -7.311 -8.572 229 H CYS 29 HN CYS 29 13.897 -6.880 -7.986 230 HA CYS 29 HA CYS 29 15.722 -8.206 -9.899 231 HB2 CYS 29 HB2 CYS 29 16.156 -5.724 -8.216 232 HB3 CYS 29 HB1 CYS 29 17.434 -6.529 -9.117 233 HG CYS 29 HG CYS 29 16.107 -6.135 -11.609 234 H GLY 30 HN GLY 30 16.290 -6.896 -6.698 235 HA2 GLY 30 HA2 GLY 30 16.568 -9.607 -5.608 236 HA3 GLY 30 HA1 GLY 30 17.146 -8.128 -4.829 237 H SER 31 HN SER 31 15.062 -6.525 -5.365 238 HA SER 31 HA SER 31 13.205 -7.345 -3.295 239 HB2 SER 31 HB2 SER 31 14.050 -4.689 -4.431 240 HB3 SER 31 HB1 SER 31 12.796 -4.880 -3.222 241 HG SER 31 HG SER 31 14.653 -6.181 -2.145 242 H SER 32 HN SER 32 11.183 -7.668 -3.696 243 HA SER 32 HA SER 32 9.732 -5.858 -5.420 244 HB2 SER 32 HB2 SER 32 8.415 -7.620 -6.511 245 HB3 SER 32 HB1 SER 32 10.125 -7.802 -6.901 246 HG SER 32 HG SER 32 8.444 -9.462 -5.517 247 H PHE 33 HN PHE 33 7.858 -5.225 -4.401 248 HA PHE 33 HA PHE 33 6.944 -6.900 -2.168 249 HB2 PHE 33 HB2 PHE 33 7.438 -3.925 -2.078 250 HB3 PHE 33 HB1 PHE 33 6.592 -4.827 -0.826 251 HD1 PHE 33 HD1 PHE 33 7.809 -6.612 0.421 252 HD2 PHE 33 HD2 PHE 33 9.789 -3.879 -2.167 253 HE1 PHE 33 HE1 PHE 33 9.952 -7.173 1.477 254 HE2 PHE 33 HE2 PHE 33 11.937 -4.433 -1.112 255 HZ PHE 33 HZ PHE 33 12.020 -6.086 0.706 256 H GLU 34 HN GLU 34 4.826 -7.002 -1.813 257 HA GLU 34 HA GLU 34 3.044 -5.484 -3.610 258 HB2 GLU 34 HB2 GLU 34 2.522 -8.183 -2.348 259 HB3 GLU 34 HB1 GLU 34 1.560 -7.382 -3.576 260 HG2 GLU 34 HG2 GLU 34 4.391 -8.278 -4.014 261 HG3 GLU 34 HG1 GLU 34 2.984 -9.271 -4.384 262 H VAL 35 HN VAL 35 1.958 -3.951 -2.469 263 HA VAL 35 HA VAL 35 1.369 -4.525 0.363 264 HB VAL 35 HB VAL 35 2.954 -2.685 0.019 265 HG11 VAL 35 HG11 VAL 35 2.248 -0.583 -0.974 266 HG12 VAL 35 HG12 VAL 35 0.681 -1.287 -1.371 267 HG13 VAL 35 HG13 VAL 35 2.142 -1.897 -2.149 268 HG21 VAL 35 HG21 VAL 35 1.869 -1.059 1.457 269 HG22 VAL 35 HG22 VAL 35 1.491 -2.702 1.978 270 HG23 VAL 35 HG23 VAL 35 0.297 -1.765 1.084 271 H GLU 36 HN GLU 36 -0.605 -4.190 1.210 272 HA GLU 36 HA GLU 36 -2.706 -3.014 -0.484 273 HB2 GLU 36 HB2 GLU 36 -3.289 -5.299 0.041 274 HB3 GLU 36 HB1 GLU 36 -2.915 -5.053 1.740 275 HG2 GLU 36 HG2 GLU 36 -4.792 -3.596 2.009 276 HG3 GLU 36 HG1 GLU 36 -5.115 -3.614 0.280 277 H VAL 37 HN VAL 37 -3.042 -0.993 0.082 278 HA VAL 37 HA VAL 37 -2.473 -0.156 2.843 279 HB VAL 37 HB VAL 37 -2.533 1.596 0.381 280 HG11 VAL 37 HG11 VAL 37 -2.879 2.764 2.466 281 HG12 VAL 37 HG12 VAL 37 -1.304 3.169 1.783 282 HG13 VAL 37 HG13 VAL 37 -1.415 2.043 3.139 283 HG21 VAL 37 HG21 VAL 37 -0.138 0.324 1.705 284 HG22 VAL 37 HG22 VAL 37 -0.079 1.541 0.430 285 HG23 VAL 37 HG23 VAL 37 -0.765 -0.049 0.101 286 H VAL 38 HN VAL 38 -3.996 0.789 3.995 287 HA VAL 38 HA VAL 38 -6.198 2.156 2.603 288 HB VAL 38 HB VAL 38 -6.322 0.871 5.343 289 HG11 VAL 38 HG11 VAL 38 -7.639 2.907 5.233 290 HG12 VAL 38 HG12 VAL 38 -8.682 1.488 5.323 291 HG13 VAL 38 HG13 VAL 38 -8.451 2.316 3.783 292 HG21 VAL 38 HG21 VAL 38 -7.958 -0.657 4.350 293 HG22 VAL 38 HG22 VAL 38 -6.391 -0.790 3.551 294 HG23 VAL 38 HG23 VAL 38 -7.704 0.096 2.776 295 H SER 39 HN SER 39 -5.531 4.241 2.641 296 HA SER 39 HA SER 39 -4.601 5.312 5.211 297 HB2 SER 39 HB2 SER 39 -3.239 5.649 2.541 298 HB3 SER 39 HB1 SER 39 -2.883 6.639 3.955 299 HG SER 39 HG SER 39 -2.327 4.705 5.053 300 H GLU 40 HN GLU 40 -4.593 7.598 5.341 301 HA GLU 40 HA GLU 40 -6.928 8.845 4.373 302 HB2 GLU 40 HB2 GLU 40 -6.061 10.840 5.485 303 HB3 GLU 40 HB1 GLU 40 -5.865 9.417 6.496 304 HG2 GLU 40 HG2 GLU 40 -3.534 9.284 5.985 305 HG3 GLU 40 HG1 GLU 40 -3.678 10.584 4.803 306 H GLN 41 HN GLN 41 -4.322 8.060 2.631 307 HA GLN 41 HA GLN 41 -4.087 10.592 1.177 308 HB2 GLN 41 HB2 GLN 41 -2.539 8.028 1.167 309 HB3 GLN 41 HB1 GLN 41 -2.491 9.048 -0.262 310 HG2 GLN 41 HG2 GLN 41 -0.601 9.581 1.064 311 HG3 GLN 41 HG1 GLN 41 -1.729 10.926 1.187 312 HE21 GLN 41 HE21 GLN 41 -2.048 7.880 2.916 313 HE22 GLN 41 HE22 GLN 41 -1.769 8.533 4.485 314 H PHE 42 HN PHE 42 -6.114 8.164 1.347 315 HA PHE 42 HA PHE 42 -6.767 8.183 -1.522 316 HB2 PHE 42 HB2 PHE 42 -7.408 6.090 0.567 317 HB3 PHE 42 HB1 PHE 42 -7.767 5.974 -1.155 318 HD1 PHE 42 HD2 PHE 42 -5.038 7.163 -2.041 319 HD2 PHE 42 HD1 PHE 42 -6.130 4.083 0.707 320 HE1 PHE 42 HE2 PHE 42 -2.862 6.073 -2.366 321 HE2 PHE 42 HE1 PHE 42 -3.956 3.009 0.375 322 HZ PHE 42 HZ PHE 42 -2.319 4.002 -1.161 323 H GLU 43 HN GLU 43 -7.453 9.991 0.791 324 HA GLU 43 HA GLU 43 -10.125 9.311 1.639 325 HB2 GLU 43 HB2 GLU 43 -8.600 10.410 3.178 326 HB3 GLU 43 HB1 GLU 43 -8.449 11.781 2.089 327 HG2 GLU 43 HG2 GLU 43 -9.912 12.271 3.972 328 HG3 GLU 43 HG1 GLU 43 -10.775 12.353 2.437 329 H GLY 44 HN GLY 44 -11.707 9.462 0.229 330 HA2 GLY 44 HA2 GLY 44 -13.212 10.353 -1.261 331 HA3 GLY 44 HA1 GLY 44 -12.661 11.936 -0.725 332 H LYS 45 HN LYS 45 -10.315 9.786 -1.906 333 HA LYS 45 HA LYS 45 -9.677 11.652 -4.001 334 HB2 LYS 45 HB2 LYS 45 -8.279 9.328 -2.707 335 HB3 LYS 45 HB1 LYS 45 -7.605 10.229 -4.023 336 HG2 LYS 45 HG2 LYS 45 -8.223 11.202 -1.259 337 HG3 LYS 45 HG1 LYS 45 -6.634 11.041 -2.008 338 HD2 LYS 45 HD2 LYS 45 -8.785 12.973 -2.879 339 HD3 LYS 45 HD1 LYS 45 -7.397 13.383 -1.876 340 HE2 LYS 45 HE2 LYS 45 -5.912 12.661 -3.727 341 HE3 LYS 45 HE1 LYS 45 -7.342 12.400 -4.725 342 HZ1 LYS 45 HZ1 LYS 45 -6.450 14.982 -3.563 343 HZ2 LYS 45 HZ2 LYS 45 -7.894 14.764 -4.414 344 HZ3 LYS 45 HZ3 LYS 45 -6.411 14.547 -5.195 345 H ARG 46 HN ARG 46 -9.415 11.102 -6.141 346 HA ARG 46 HA ARG 46 -10.832 8.753 -7.042 347 HB2 ARG 46 HB2 ARG 46 -9.325 10.892 -8.564 348 HB3 ARG 46 HB1 ARG 46 -10.258 9.604 -9.312 349 HG2 ARG 46 HG2 ARG 46 -11.316 11.809 -7.557 350 HG3 ARG 46 HG1 ARG 46 -11.555 11.626 -9.295 351 HD2 ARG 46 HD2 ARG 46 -12.565 9.767 -7.145 352 HD3 ARG 46 HD1 ARG 46 -13.532 10.903 -8.080 353 HE ARG 46 HE ARG 46 -12.694 9.507 -10.067 354 HH11 ARG 46 HH11 ARG 46 -13.387 8.227 -6.881 355 HH12 ARG 46 HH12 ARG 46 -13.841 6.660 -7.469 356 HH21 ARG 46 HH21 ARG 46 -13.270 7.428 -10.840 357 HH22 ARG 46 HH22 ARG 46 -13.770 6.203 -9.717 358 H LEU 47 HN LEU 47 -9.963 7.019 -7.964 359 HA LEU 47 HA LEU 47 -7.887 5.809 -6.754 360 HB2 LEU 47 HB2 LEU 47 -9.058 5.271 -9.462 361 HB3 LEU 47 HB1 LEU 47 -7.821 4.245 -8.768 362 HG LEU 47 HG LEU 47 -9.371 3.875 -6.804 363 HD11 LEU 47 HD11 LEU 47 -11.362 5.168 -8.660 364 HD12 LEU 47 HD12 LEU 47 -10.851 5.765 -7.081 365 HD13 LEU 47 HD13 LEU 47 -11.764 4.262 -7.202 366 HD21 LEU 47 HD21 LEU 47 -10.282 2.976 -9.531 367 HD22 LEU 47 HD22 LEU 47 -10.726 2.224 -7.998 368 HD23 LEU 47 HD23 LEU 47 -9.046 2.207 -8.535 369 H LEU 48 HN LEU 48 -7.668 7.652 -9.717 370 HA LEU 48 HA LEU 48 -5.054 6.940 -10.472 371 HB2 LEU 48 HB2 LEU 48 -6.833 8.174 -11.829 372 HB3 LEU 48 HB1 LEU 48 -6.363 9.618 -10.958 373 HG LEU 48 HG LEU 48 -4.383 8.030 -12.581 374 HD11 LEU 48 HD11 LEU 48 -6.122 10.313 -13.496 375 HD12 LEU 48 HD12 LEU 48 -6.202 8.645 -14.063 376 HD13 LEU 48 HD13 LEU 48 -4.774 9.624 -14.400 377 HD21 LEU 48 HD21 LEU 48 -3.187 10.171 -12.652 378 HD22 LEU 48 HD22 LEU 48 -3.430 9.615 -10.996 379 HD23 LEU 48 HD23 LEU 48 -4.443 10.901 -11.652 380 H GLU 49 HN GLU 49 -6.263 9.777 -8.710 381 HA GLU 49 HA GLU 49 -3.708 10.820 -8.031 382 HB2 GLU 49 HB2 GLU 49 -5.933 11.357 -6.172 383 HB3 GLU 49 HB1 GLU 49 -4.854 12.480 -6.980 384 HG2 GLU 49 HG2 GLU 49 -6.161 12.374 -8.988 385 HG3 GLU 49 HG1 GLU 49 -7.182 11.107 -8.297 386 H ARG 50 HN ARG 50 -5.951 8.605 -6.644 387 HA ARG 50 HA ARG 50 -5.124 8.352 -4.042 388 HB2 ARG 50 HB2 ARG 50 -7.148 7.404 -4.834 389 HB3 ARG 50 HB1 ARG 50 -6.323 6.501 -6.093 390 HG2 ARG 50 HG2 ARG 50 -5.402 5.002 -4.438 391 HG3 ARG 50 HG1 ARG 50 -6.118 5.960 -3.139 392 HD2 ARG 50 HD2 ARG 50 -7.572 4.409 -5.272 393 HD3 ARG 50 HD1 ARG 50 -7.516 4.054 -3.547 394 HE ARG 50 HE ARG 50 -8.618 6.637 -4.274 395 HH11 ARG 50 HH11 ARG 50 -9.235 3.311 -3.382 396 HH12 ARG 50 HH12 ARG 50 -10.911 3.594 -3.014 397 HH21 ARG 50 HH21 ARG 50 -10.812 7.020 -3.792 398 HH22 ARG 50 HH22 ARG 50 -11.801 5.704 -3.222 399 H HIS 51 HN HIS 51 -4.077 6.524 -6.910 400 HA HIS 51 HA HIS 51 -2.004 5.172 -5.458 401 HB2 HIS 51 HB2 HIS 51 -2.521 5.431 -8.425 402 HB3 HIS 51 HB1 HIS 51 -1.211 4.470 -7.750 403 HD1 HIS 51 HD1 HIS 51 -4.456 4.029 -9.044 404 HD2 HIS 51 HD2 HIS 51 -2.453 2.503 -5.753 405 HE1 HIS 51 HE1 HIS 51 -5.676 1.939 -8.391 406 HE2 HIS 51 HE2 HIS 51 -4.373 0.962 -6.494 407 H ARG 52 HN ARG 52 -2.168 7.996 -7.520 408 HA ARG 52 HA ARG 52 0.635 8.324 -7.829 409 HB2 ARG 52 HB2 ARG 52 -1.068 9.268 -9.365 410 HB3 ARG 52 HB1 ARG 52 -1.574 10.370 -8.094 411 HG2 ARG 52 HG2 ARG 52 0.626 11.416 -8.111 412 HG3 ARG 52 HG1 ARG 52 1.148 10.301 -9.377 413 HD2 ARG 52 HD2 ARG 52 0.516 12.443 -10.335 414 HD3 ARG 52 HD1 ARG 52 -0.595 11.177 -10.857 415 HE ARG 52 HE ARG 52 -1.506 12.582 -8.529 416 HH11 ARG 52 HH11 ARG 52 -1.389 12.642 -12.025 417 HH12 ARG 52 HH12 ARG 52 -2.769 13.680 -12.182 418 HH21 ARG 52 HH21 ARG 52 -3.327 13.947 -8.724 419 HH22 ARG 52 HH22 ARG 52 -3.872 14.423 -10.300 420 H MET 53 HN MET 53 -1.416 8.814 -5.208 421 HA MET 53 HA MET 53 0.104 11.086 -4.181 422 HB2 MET 53 HB2 MET 53 -2.434 10.939 -4.069 423 HB3 MET 53 HB1 MET 53 -2.222 9.689 -2.854 424 HG2 MET 53 HG2 MET 53 -2.644 11.737 -1.728 425 HG3 MET 53 HG1 MET 53 -0.951 11.319 -1.477 426 HE1 MET 53 HE1 MET 53 -0.509 13.811 -0.641 427 HE2 MET 53 HE2 MET 53 -2.200 14.219 -0.930 428 HE3 MET 53 HE3 MET 53 -0.921 15.244 -1.584 429 H VAL 54 HN VAL 54 -0.622 7.742 -3.486 430 HA VAL 54 HA VAL 54 0.809 7.653 -1.024 431 HB VAL 54 HB VAL 54 -0.963 6.024 -2.305 432 HG11 VAL 54 HG11 VAL 54 1.629 4.510 -2.277 433 HG12 VAL 54 HG12 VAL 54 0.773 5.051 -3.721 434 HG13 VAL 54 HG13 VAL 54 0.034 3.856 -2.653 435 HG21 VAL 54 HG21 VAL 54 -0.611 4.489 -0.371 436 HG22 VAL 54 HG22 VAL 54 -0.772 6.188 0.072 437 HG23 VAL 54 HG23 VAL 54 0.820 5.431 0.040 438 H ASN 55 HN ASN 55 1.510 6.892 -4.374 439 HA ASN 55 HA ASN 55 4.124 5.894 -3.740 440 HB2 ASN 55 HB2 ASN 55 4.440 5.442 -5.959 441 HB3 ASN 55 HB1 ASN 55 2.689 5.311 -5.849 442 HD21 ASN 55 HD21 ASN 55 2.163 8.090 -5.748 443 HD22 ASN 55 HD22 ASN 55 2.599 8.800 -7.261 444 H ALA 56 HN ALA 56 2.736 8.945 -4.116 445 HA ALA 56 HA ALA 56 4.995 10.393 -4.980 446 HB1 ALA 56 HB1 ALA 56 3.966 12.334 -3.882 447 HB2 ALA 56 HB2 ALA 56 2.814 11.265 -3.082 448 HB3 ALA 56 HB3 ALA 56 2.793 11.429 -4.838 449 H ALA 57 HN ALA 57 3.918 9.260 -1.844 450 HA ALA 57 HA ALA 57 6.222 10.365 -0.459 451 HB1 ALA 57 HB1 ALA 57 4.053 10.418 0.637 452 HB2 ALA 57 HB2 ALA 57 5.156 9.377 1.537 453 HB3 ALA 57 HB3 ALA 57 3.918 8.665 0.499 454 H LEU 58 HN LEU 58 5.600 7.726 -2.308 455 HA LEU 58 HA LEU 58 7.420 5.954 -0.829 456 HB2 LEU 58 HB2 LEU 58 4.754 5.525 -1.913 457 HB3 LEU 58 HB1 LEU 58 5.912 4.368 -2.529 458 HG LEU 58 HG LEU 58 6.465 3.699 -0.227 459 HD11 LEU 58 HD11 LEU 58 5.143 4.506 1.643 460 HD12 LEU 58 HD12 LEU 58 4.263 5.597 0.575 461 HD13 LEU 58 HD13 LEU 58 5.984 5.845 0.866 462 HD21 LEU 58 HD21 LEU 58 4.368 2.560 0.259 463 HD22 LEU 58 HD22 LEU 58 4.709 2.530 -1.470 464 HD23 LEU 58 HD23 LEU 58 3.510 3.650 -0.829 465 H GLU 59 HN GLU 59 7.265 7.939 -3.296 466 HA GLU 59 HA GLU 59 8.123 6.359 -5.509 467 HB2 GLU 59 HB2 GLU 59 7.021 8.540 -5.822 468 HB3 GLU 59 HB1 GLU 59 8.355 9.336 -4.984 469 HG2 GLU 59 HG2 GLU 59 9.876 8.682 -6.782 470 HG3 GLU 59 HG1 GLU 59 8.536 7.893 -7.617 471 H GLU 60 HN GLU 60 9.629 8.139 -2.949 472 HA GLU 60 HA GLU 60 12.311 7.891 -3.891 473 HB2 GLU 60 HB2 GLU 60 12.738 8.468 -1.383 474 HB3 GLU 60 HB1 GLU 60 12.006 9.677 -2.429 475 HG2 GLU 60 HG2 GLU 60 10.352 9.864 -0.973 476 HG3 GLU 60 HG1 GLU 60 9.856 8.213 -1.358 477 H GLU 61 HN GLU 61 10.117 6.161 -1.880 478 HA GLU 61 HA GLU 61 11.907 4.287 -0.749 479 HB2 GLU 61 HB2 GLU 61 9.576 4.981 0.017 480 HB3 GLU 61 HB1 GLU 61 8.956 3.962 -1.269 481 HG2 GLU 61 HG2 GLU 61 8.879 2.776 0.832 482 HG3 GLU 61 HG1 GLU 61 10.012 2.002 -0.273 483 H MET 62 HN MET 62 9.847 4.384 -3.588 484 HA MET 62 HA MET 62 10.215 1.629 -4.246 485 HB2 MET 62 HB2 MET 62 8.201 3.026 -4.842 486 HB3 MET 62 HB1 MET 62 9.199 3.828 -6.045 487 HG2 MET 62 HG2 MET 62 9.562 1.684 -7.165 488 HG3 MET 62 HG1 MET 62 8.542 0.893 -5.966 489 HE1 MET 62 HE1 MET 62 5.951 1.464 -5.645 490 HE2 MET 62 HE2 MET 62 5.050 2.561 -6.692 491 HE3 MET 62 HE3 MET 62 6.264 3.200 -5.584 492 H LYS 63 HN LYS 63 11.882 4.579 -4.938 493 HA LYS 63 HA LYS 63 13.292 3.464 -7.206 494 HB2 LYS 63 HB2 LYS 63 13.596 6.073 -5.725 495 HB3 LYS 63 HB1 LYS 63 14.615 5.605 -7.079 496 HG2 LYS 63 HG2 LYS 63 12.627 5.461 -8.510 497 HG3 LYS 63 HG1 LYS 63 11.626 5.973 -7.151 498 HD2 LYS 63 HD2 LYS 63 13.836 7.569 -8.445 499 HD3 LYS 63 HD1 LYS 63 12.105 7.852 -8.620 500 HE2 LYS 63 HE2 LYS 63 11.955 8.277 -6.201 501 HE3 LYS 63 HE1 LYS 63 13.697 8.051 -6.068 502 HZ1 LYS 63 HZ1 LYS 63 12.355 10.145 -7.681 503 HZ2 LYS 63 HZ2 LYS 63 14.023 9.942 -7.526 504 HZ3 LYS 63 HZ3 LYS 63 13.094 10.389 -6.184 505 H GLU 64 HN GLU 64 13.571 3.245 -3.860 506 HA GLU 64 HA GLU 64 16.437 2.718 -4.024 507 HB2 GLU 64 HB2 GLU 64 15.474 3.966 -2.054 508 HB3 GLU 64 HB1 GLU 64 14.681 2.468 -1.582 509 HG2 GLU 64 HG2 GLU 64 16.759 1.381 -1.223 510 HG3 GLU 64 HG1 GLU 64 17.650 2.704 -1.967 511 H ILE 65 HN ILE 65 13.379 1.162 -3.851 512 HA ILE 65 HA ILE 65 14.691 -1.468 -3.945 513 HB ILE 65 HB ILE 65 12.639 -2.512 -3.429 514 HG12 ILE 65 HG12 ILE 65 11.470 -0.103 -4.572 515 HG13 ILE 65 HG11 ILE 65 10.812 -1.720 -4.454 516 HG21 ILE 65 HG21 ILE 65 12.803 -0.011 -1.756 517 HG22 ILE 65 HG22 ILE 65 13.722 -1.496 -1.510 518 HG23 ILE 65 HG23 ILE 65 11.970 -1.499 -1.305 519 HD11 ILE 65 HD11 ILE 65 10.083 -1.271 -2.169 520 HD12 ILE 65 HD12 ILE 65 9.377 -0.145 -3.327 521 HD13 ILE 65 HD13 ILE 65 10.713 0.371 -2.298 522 H HIS 66 HN HIS 66 12.764 -2.809 -5.488 523 HA HIS 66 HA HIS 66 13.253 -1.467 -8.053 524 HB2 HIS 66 HB2 HIS 66 14.186 -3.770 -7.743 525 HB3 HIS 66 HB1 HIS 66 12.529 -4.368 -7.670 526 HD1 HIS 66 HD1 HIS 66 14.196 -1.909 -10.044 527 HD2 HIS 66 HD2 HIS 66 12.021 -5.429 -10.108 528 HE1 HIS 66 HE1 HIS 66 13.782 -2.420 -12.451 529 HE2 HIS 66 HE2 HIS 66 12.683 -4.673 -12.470 530 H ALA 67 HN ALA 67 10.699 -2.430 -5.947 531 HA ALA 67 HA ALA 67 8.662 -1.369 -7.566 532 HB1 ALA 67 HB1 ALA 67 9.121 -3.328 -8.969 533 HB2 ALA 67 HB2 ALA 67 7.502 -3.389 -8.270 534 HB3 ALA 67 HB3 ALA 67 8.790 -4.384 -7.594 535 H LEU 68 HN LEU 68 7.052 -0.860 -6.295 536 HA LEU 68 HA LEU 68 6.307 -2.641 -4.071 537 HB2 LEU 68 HB2 LEU 68 7.213 0.057 -3.886 538 HB3 LEU 68 HB1 LEU 68 5.494 0.047 -3.530 539 HG LEU 68 HG LEU 68 7.554 -1.649 -2.113 540 HD11 LEU 68 HD11 LEU 68 7.838 0.728 -1.630 541 HD12 LEU 68 HD12 LEU 68 7.211 -0.143 -0.231 542 HD13 LEU 68 HD13 LEU 68 6.129 0.849 -1.208 543 HD21 LEU 68 HD21 LEU 68 4.629 -1.174 -1.543 544 HD22 LEU 68 HD22 LEU 68 5.742 -2.096 -0.532 545 HD23 LEU 68 HD23 LEU 68 5.339 -2.670 -2.150 546 H SER 69 HN SER 69 4.557 -3.580 -4.963 547 HA SER 69 HA SER 69 2.838 -2.036 -6.720 548 HB2 SER 69 HB2 SER 69 2.507 -4.931 -5.940 549 HB3 SER 69 HB1 SER 69 1.927 -4.122 -7.396 550 HG SER 69 HG SER 69 4.274 -5.350 -6.952 551 H ILE 70 HN ILE 70 1.461 -0.755 -5.593 552 HA ILE 70 HA ILE 70 0.137 -1.776 -3.243 553 HB ILE 70 HB ILE 70 0.673 0.553 -3.175 554 HG12 ILE 70 HG12 ILE 70 -2.303 0.309 -3.643 555 HG13 ILE 70 HG11 ILE 70 -1.476 -0.164 -2.163 556 HG21 ILE 70 HG21 ILE 70 -0.266 2.195 -4.753 557 HG22 ILE 70 HG22 ILE 70 -0.894 0.864 -5.726 558 HG23 ILE 70 HG23 ILE 70 0.846 1.060 -5.518 559 HD11 ILE 70 HD11 ILE 70 -1.591 2.612 -3.309 560 HD12 ILE 70 HD12 ILE 70 -0.775 2.138 -1.819 561 HD13 ILE 70 HD13 ILE 70 -2.528 2.005 -1.944 562 H LYS 71 HN LYS 71 -0.899 -3.514 -3.952 563 HA LYS 71 HA LYS 71 -2.409 -3.632 -6.343 564 HB2 LYS 71 HB2 LYS 71 -2.977 -5.431 -4.011 565 HB3 LYS 71 HB1 LYS 71 -2.977 -5.812 -5.727 566 HG2 LYS 71 HG2 LYS 71 -0.504 -5.548 -5.717 567 HG3 LYS 71 HG1 LYS 71 -0.590 -5.352 -3.964 568 HD2 LYS 71 HD2 LYS 71 -0.075 -7.631 -4.339 569 HD3 LYS 71 HD1 LYS 71 -1.781 -7.588 -3.910 570 HE2 LYS 71 HE2 LYS 71 -1.431 -9.095 -5.771 571 HE3 LYS 71 HE1 LYS 71 -2.358 -7.692 -6.298 572 HZ1 LYS 71 HZ1 LYS 71 0.578 -7.958 -6.659 573 HZ2 LYS 71 HZ2 LYS 71 -0.435 -6.768 -7.313 574 HZ3 LYS 71 HZ3 LYS 71 -0.564 -8.366 -7.844 575 H LYS 72 HN LYS 72 -3.081 -2.662 -3.113 576 HA LYS 72 HA LYS 72 -5.834 -2.025 -3.859 577 HB2 LYS 72 HB2 LYS 72 -4.950 -3.741 -1.631 578 HB3 LYS 72 HB1 LYS 72 -6.158 -2.526 -1.231 579 HG2 LYS 72 HG2 LYS 72 -7.418 -4.392 -1.774 580 HG3 LYS 72 HG1 LYS 72 -7.443 -3.427 -3.252 581 HD2 LYS 72 HD2 LYS 72 -5.642 -4.818 -4.173 582 HD3 LYS 72 HD1 LYS 72 -5.645 -5.790 -2.699 583 HE2 LYS 72 HE2 LYS 72 -7.907 -5.486 -4.671 584 HE3 LYS 72 HE1 LYS 72 -6.909 -6.918 -4.425 585 HZ1 LYS 72 HZ1 LYS 72 -9.031 -7.148 -3.316 586 HZ2 LYS 72 HZ2 LYS 72 -8.773 -5.728 -2.442 587 HZ3 LYS 72 HZ3 LYS 72 -7.794 -7.077 -2.165 588 H ALA 73 HN ALA 73 -6.111 -0.036 -3.727 589 HA ALA 73 HA ALA 73 -4.907 1.483 -1.512 590 HB1 ALA 73 HB1 ALA 73 -4.972 3.463 -2.952 591 HB2 ALA 73 HB2 ALA 73 -5.644 2.499 -4.265 592 HB3 ALA 73 HB3 ALA 73 -4.007 2.187 -3.693 593 H GLN 74 HN GLN 74 -6.556 1.357 -0.080 594 HA GLN 74 HA GLN 74 -9.191 2.289 -1.017 595 HB2 GLN 74 HB2 GLN 74 -8.520 -0.081 0.689 596 HB3 GLN 74 HB1 GLN 74 -10.101 0.680 0.777 597 HG2 GLN 74 HG2 GLN 74 -8.886 -0.363 -1.767 598 HG3 GLN 74 HG1 GLN 74 -9.959 -1.299 -0.729 599 HE21 GLN 74 HE21 GLN 74 -11.529 -1.499 -2.291 600 HE22 GLN 74 HE22 GLN 74 -12.523 -0.175 -2.797 601 H THR 75 HN THR 75 -10.486 3.368 0.429 602 HA THR 75 HA THR 75 -9.264 4.259 2.913 603 HB THR 75 HB THR 75 -11.435 5.911 2.326 604 HG1 THR 75 HG1 THR 75 -10.302 6.636 0.189 605 HG21 THR 75 HG21 THR 75 -9.538 6.718 3.502 606 HG22 THR 75 HG22 THR 75 -9.580 7.596 1.976 607 HG23 THR 75 HG23 THR 75 -8.449 6.266 2.195 608 HA PRO 76 HA PRO 76 -12.171 2.182 5.428 609 HB2 PRO 76 HB2 PRO 76 -12.471 4.752 6.891 610 HB3 PRO 76 HB1 PRO 76 -12.057 3.148 7.502 611 HG2 PRO 76 HG2 PRO 76 -10.185 5.005 7.257 612 HG3 PRO 76 HG1 PRO 76 -9.843 3.319 6.823 613 HD2 PRO 76 HD2 PRO 76 -10.407 5.657 5.045 614 HD3 PRO 76 HD1 PRO 76 -9.241 4.336 4.837 615 H GLN 77 HN GLN 77 -13.096 4.821 3.549 616 HA GLN 77 HA GLN 77 -15.839 4.886 4.489 617 HB2 GLN 77 HB2 GLN 77 -15.559 6.369 2.125 618 HB3 GLN 77 HB1 GLN 77 -15.739 6.995 3.755 619 HG2 GLN 77 HG2 GLN 77 -13.721 7.926 3.452 620 HG3 GLN 77 HG1 GLN 77 -13.089 6.273 3.537 621 HE21 GLN 77 HE21 GLN 77 -13.944 5.180 1.375 622 HE22 GLN 77 HE22 GLN 77 -13.172 5.861 -0.001 623 H GLN 78 HN GLN 78 -13.901 3.609 1.873 624 HA GLN 78 HA GLN 78 -16.340 2.400 0.682 625 HB2 GLN 78 HB2 GLN 78 -13.466 2.056 -0.153 626 HB3 GLN 78 HB1 GLN 78 -14.870 1.447 -1.014 627 HG2 GLN 78 HG2 GLN 78 -14.943 3.307 -2.190 628 HG3 GLN 78 HG1 GLN 78 -15.153 4.245 -0.703 629 HE21 GLN 78 HE21 GLN 78 -12.715 3.514 0.507 630 HE22 GLN 78 HE22 GLN 78 -11.455 4.337 -0.364 631 H TRP 79 HN TRP 79 -13.572 1.887 2.560 632 HA TRP 79 HA TRP 79 -13.684 -0.972 2.663 633 HB2 TRP 79 HB2 TRP 79 -11.879 1.086 3.294 634 HB3 TRP 79 HB1 TRP 79 -12.275 0.310 4.837 635 HD1 TRP 79 HD1 TRP 79 -11.311 -0.916 1.294 636 HE1 TRP 79 HE1 TRP 79 -9.657 -2.856 1.553 637 HE3 TRP 79 HE3 TRP 79 -11.187 -1.176 6.389 638 HZ2 TRP 79 HZ2 TRP 79 -8.457 -4.332 3.661 639 HZ3 TRP 79 HZ3 TRP 79 -9.771 -2.885 7.450 640 HH2 TRP 79 HH2 TRP 79 -8.440 -4.427 6.111 641 H LYS 80 HN LYS 80 -15.607 1.405 3.780 642 HA LYS 80 HA LYS 80 -15.976 0.832 6.481 643 HB2 LYS 80 HB2 LYS 80 -18.094 1.980 6.382 644 HB3 LYS 80 HB1 LYS 80 -16.878 2.833 5.447 645 HG2 LYS 80 HG2 LYS 80 -17.843 2.000 3.387 646 HG3 LYS 80 HG1 LYS 80 -19.046 1.086 4.302 647 HD2 LYS 80 HD2 LYS 80 -18.721 4.080 4.452 648 HD3 LYS 80 HD1 LYS 80 -19.861 3.266 3.382 649 HE2 LYS 80 HE2 LYS 80 -19.822 2.964 6.381 650 HE3 LYS 80 HE1 LYS 80 -20.865 4.082 5.509 651 HZ1 LYS 80 HZ1 LYS 80 -21.974 1.989 6.077 652 HZ2 LYS 80 HZ2 LYS 80 -20.863 1.137 5.132 653 HZ3 LYS 80 HZ3 LYS 80 -21.915 2.239 4.407 654 HA PRO 81 HA PRO 81 -18.922 -2.725 5.638 655 HB2 PRO 81 HB2 PRO 81 -19.108 -3.619 2.984 656 HB3 PRO 81 HB1 PRO 81 -20.301 -2.642 3.840 657 HG2 PRO 81 HG2 PRO 81 -18.753 -1.835 1.637 658 HG3 PRO 81 HG1 PRO 81 -19.728 -0.787 2.682 659 HD2 PRO 81 HD2 PRO 81 -16.796 -1.338 2.746 660 HD3 PRO 81 HD1 PRO 81 -17.673 0.158 3.116 661 HA PRO 82 HA PRO 82 -15.098 -5.230 5.494 662 HB2 PRO 82 HB2 PRO 82 -16.039 -7.084 7.294 663 HB3 PRO 82 HB1 PRO 82 -15.205 -5.596 7.748 664 HG2 PRO 82 HG2 PRO 82 -18.133 -6.190 7.699 665 HG3 PRO 82 HG1 PRO 82 -17.194 -5.269 8.889 666 HD2 PRO 82 HD2 PRO 82 -18.705 -4.063 7.016 667 HD3 PRO 82 HD1 PRO 82 -17.179 -3.361 7.586 668 H SER 83 HN SER 83 -14.867 -6.556 3.781 669 HA SER 83 HA SER 83 -16.891 -8.612 3.340 670 HB2 SER 83 HB2 SER 83 -17.505 -6.685 1.903 671 HB3 SER 83 HB1 SER 83 -15.902 -6.738 1.173 672 HG SER 83 HG SER 83 -16.620 -9.090 0.773 673 H GLN 84 HN GLN 84 -14.173 -8.435 4.326 674 HA GLN 84 HA GLN 84 -12.727 -9.973 2.280 675 HB2 GLN 84 HB2 GLN 84 -11.667 -8.433 4.653 676 HB3 GLN 84 HB1 GLN 84 -10.687 -9.344 3.518 677 HG2 GLN 84 HG2 GLN 84 -11.546 -7.879 1.703 678 HG3 GLN 84 HG1 GLN 84 -12.336 -6.911 2.945 679 HE21 GLN 84 HE21 GLN 84 -10.116 -7.324 4.831 680 HE22 GLN 84 HE22 GLN 84 -8.844 -6.313 4.276 681 H ASP 85 HN ASP 85 -13.808 -9.864 5.578 682 HA ASP 85 HA ASP 85 -12.718 -12.405 6.301 683 HB2 ASP 85 HB2 ASP 85 -13.254 -10.681 7.995 684 HB3 ASP 85 HB1 ASP 85 -14.958 -10.818 7.578 685 H SER 86 HN SER 86 -15.148 -11.308 4.384 686 HA SER 86 HA SER 86 -17.168 -13.244 4.730 687 HB2 SER 86 HB2 SER 86 -16.451 -11.567 2.317 688 HB3 SER 86 HB1 SER 86 -17.987 -12.407 2.562 689 HG SER 86 HG SER 86 -18.370 -11.079 4.348 690 H ALA 87 HN ALA 87 -14.935 -12.900 1.944 691 HA ALA 87 HA ALA 87 -14.723 -15.818 1.904 692 HB1 ALA 87 HB1 ALA 87 -14.995 -15.867 -0.519 693 HB2 ALA 87 HB2 ALA 87 -15.263 -14.124 -0.521 694 HB3 ALA 87 HB3 ALA 87 -16.419 -15.192 0.274 695 H THR 88 HN THR 88 -13.030 -13.098 2.160 696 HA THR 88 HA THR 88 -11.018 -13.646 0.137 697 HB THR 88 HB THR 88 -10.893 -11.414 2.150 698 HG1 THR 88 HG1 THR 88 -12.573 -11.759 -0.092 699 HG21 THR 88 HG21 THR 88 -9.951 -11.651 -0.716 700 HG22 THR 88 HG22 THR 88 -8.927 -11.757 0.716 701 HG23 THR 88 HG23 THR 88 -9.744 -10.243 0.327 702 H LEU 89 HN LEU 89 -11.555 -14.527 3.308 703 HA LEU 89 HA LEU 89 -8.781 -15.416 3.515 704 HB2 LEU 89 HB2 LEU 89 -8.782 -14.873 5.960 705 HB3 LEU 89 HB1 LEU 89 -8.710 -13.494 4.886 706 HG LEU 89 HG LEU 89 -11.270 -13.350 5.265 707 HD11 LEU 89 HD11 LEU 89 -11.497 -15.511 6.403 708 HD12 LEU 89 HD12 LEU 89 -12.036 -14.171 7.415 709 HD13 LEU 89 HD13 LEU 89 -10.469 -14.923 7.709 710 HD21 LEU 89 HD21 LEU 89 -9.705 -11.676 6.022 711 HD22 LEU 89 HD22 LEU 89 -9.272 -12.668 7.415 712 HD23 LEU 89 HD23 LEU 89 -10.895 -11.990 7.287 713 H THR 90 HN THR 90 -11.813 -16.250 3.248 714 HA THR 90 HA THR 90 -11.574 -18.593 5.007 715 HB THR 90 HB THR 90 -14.086 -18.826 4.411 716 HG1 THR 90 HG1 THR 90 -14.930 -16.574 4.067 717 HG21 THR 90 HG21 THR 90 -14.718 -17.385 6.264 718 HG22 THR 90 HG22 THR 90 -13.187 -16.523 6.148 719 HG23 THR 90 HG23 THR 90 -13.210 -18.215 6.643 720 H LYS 91 HN LYS 91 -11.148 -17.604 1.905 721 HA LYS 91 HA LYS 91 -10.624 -20.138 0.886 722 HB2 LYS 91 HB2 LYS 91 -12.353 -20.327 -0.881 723 HB3 LYS 91 HB1 LYS 91 -12.998 -20.532 0.734 724 HG2 LYS 91 HG2 LYS 91 -13.134 -17.848 -0.546 725 HG3 LYS 91 HG1 LYS 91 -14.256 -19.106 -1.056 726 HD2 LYS 91 HD2 LYS 91 -13.876 -18.340 1.830 727 HD3 LYS 91 HD1 LYS 91 -15.045 -17.539 0.784 728 HE2 LYS 91 HE2 LYS 91 -16.168 -19.241 2.055 729 HE3 LYS 91 HE1 LYS 91 -16.113 -19.731 0.366 730 HZ1 LYS 91 HZ1 LYS 91 -15.587 -21.480 2.094 731 HZ2 LYS 91 HZ2 LYS 91 -14.113 -20.685 2.330 732 HZ3 LYS 91 HZ3 LYS 91 -14.496 -21.334 0.817 733 H ASP 92 HN ASP 92 -9.570 -17.504 1.109 734 HA ASP 92 HA ASP 92 -7.995 -16.334 -0.020 735 HB2 ASP 92 HB2 ASP 92 -7.443 -18.339 -1.279 736 HB3 ASP 92 HB1 ASP 92 -8.762 -18.024 -2.404 737 H ALA 93 HN ALA 93 -10.815 -16.771 -2.181 738 HA ALA 93 HA ALA 93 -11.267 -13.916 -2.156 739 HB1 ALA 93 HB1 ALA 93 -10.584 -15.276 -4.758 740 HB2 ALA 93 HB2 ALA 93 -9.542 -14.147 -3.891 741 HB3 ALA 93 HB3 ALA 93 -11.082 -13.598 -4.552 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 20.891 -4.145 2.708 2 H2 MET 1 HT2 MET 1 20.403 -3.033 1.538 3 H3 MET 1 HT3 MET 1 21.385 -4.334 1.100 4 HA MET 1 HA MET 1 19.153 -4.749 0.395 5 HB2 MET 1 HB2 MET 1 20.034 -6.401 2.766 6 HB3 MET 1 HB1 MET 1 18.714 -6.858 1.698 7 HG2 MET 1 HG2 MET 1 21.590 -6.476 0.905 8 HG3 MET 1 HG1 MET 1 20.752 -8.015 1.094 9 HE1 MET 1 HE1 MET 1 22.402 -7.101 -1.502 10 HE2 MET 1 HE2 MET 1 21.341 -7.659 -2.794 11 HE3 MET 1 HE3 MET 1 21.615 -8.675 -1.379 12 H VAL 2 HN VAL 2 16.973 -5.602 1.352 13 HA VAL 2 HA VAL 2 16.115 -3.782 3.477 14 HB VAL 2 HB VAL 2 15.741 -2.614 1.350 15 HG11 VAL 2 HG11 VAL 2 15.505 -4.470 -0.158 16 HG12 VAL 2 HG12 VAL 2 14.053 -3.474 -0.240 17 HG13 VAL 2 HG13 VAL 2 14.031 -4.992 0.656 18 HG21 VAL 2 HG21 VAL 2 13.194 -3.541 2.666 19 HG22 VAL 2 HG22 VAL 2 13.355 -2.121 1.631 20 HG23 VAL 2 HG23 VAL 2 14.204 -2.188 3.176 21 H THR 3 HN THR 3 14.526 -4.544 4.752 22 HA THR 3 HA THR 3 13.343 -7.155 4.131 23 HB THR 3 HB THR 3 12.620 -7.121 6.515 24 HG1 THR 3 HG1 THR 3 13.975 -5.391 7.717 25 HG21 THR 3 HG21 THR 3 14.713 -8.222 5.917 26 HG22 THR 3 HG22 THR 3 14.845 -7.454 7.500 27 HG23 THR 3 HG23 THR 3 15.576 -6.694 6.087 28 H LYS 4 HN LYS 4 11.044 -7.423 4.387 29 HA LYS 4 HA LYS 4 9.523 -5.163 3.484 30 HB2 LYS 4 HB2 LYS 4 7.817 -6.645 3.107 31 HB3 LYS 4 HB1 LYS 4 9.151 -7.790 3.155 32 HG2 LYS 4 HG2 LYS 4 8.654 -8.385 5.414 33 HG3 LYS 4 HG1 LYS 4 7.454 -7.086 5.537 34 HD2 LYS 4 HD2 LYS 4 6.047 -8.201 3.911 35 HD3 LYS 4 HD1 LYS 4 7.274 -9.440 3.643 36 HE2 LYS 4 HE2 LYS 4 5.427 -10.190 5.107 37 HE3 LYS 4 HE1 LYS 4 7.006 -10.261 5.887 38 HZ1 LYS 4 HZ1 LYS 4 5.154 -7.968 6.236 39 HZ2 LYS 4 HZ2 LYS 4 6.522 -8.364 7.166 40 HZ3 LYS 4 HZ3 LYS 4 5.133 -9.328 7.247 41 H GLU 5 HN GLU 5 10.689 -6.187 6.391 42 HA GLU 5 HA GLU 5 8.415 -5.646 8.065 43 HB2 GLU 5 HB2 GLU 5 11.304 -6.283 8.642 44 HB3 GLU 5 HB1 GLU 5 10.129 -5.958 9.914 45 HG2 GLU 5 HG2 GLU 5 9.990 -8.181 7.889 46 HG3 GLU 5 HG1 GLU 5 10.433 -8.343 9.588 47 H GLN 6 HN GLN 6 11.370 -4.124 7.101 48 HA GLN 6 HA GLN 6 10.933 -1.773 8.676 49 HB2 GLN 6 HB2 GLN 6 12.842 -0.861 7.558 50 HB3 GLN 6 HB1 GLN 6 13.179 -2.550 7.892 51 HG2 GLN 6 HG2 GLN 6 13.910 -2.525 5.776 52 HG3 GLN 6 HG1 GLN 6 12.203 -2.808 5.426 53 HE21 GLN 6 HE21 GLN 6 10.991 -1.155 4.470 54 HE22 GLN 6 HE22 GLN 6 11.722 0.282 3.833 55 H VAL 7 HN VAL 7 9.854 -3.026 5.670 56 HA VAL 7 HA VAL 7 9.299 -0.536 4.359 57 HB VAL 7 HB VAL 7 8.397 -3.381 3.875 58 HG11 VAL 7 HG11 VAL 7 7.675 -0.960 2.239 59 HG12 VAL 7 HG12 VAL 7 6.571 -1.899 3.243 60 HG13 VAL 7 HG13 VAL 7 7.319 -2.637 1.827 61 HG21 VAL 7 HG21 VAL 7 10.152 -1.515 2.287 62 HG22 VAL 7 HG22 VAL 7 9.722 -3.161 1.827 63 HG23 VAL 7 HG23 VAL 7 10.697 -2.875 3.268 64 H GLU 8 HN GLU 8 7.487 -2.977 6.040 65 HA GLU 8 HA GLU 8 4.970 -1.772 6.034 66 HB2 GLU 8 HB2 GLU 8 6.412 -3.955 7.239 67 HB3 GLU 8 HB1 GLU 8 5.177 -3.300 8.330 68 HG2 GLU 8 HG2 GLU 8 3.469 -3.607 6.626 69 HG3 GLU 8 HG1 GLU 8 4.682 -4.180 5.488 70 H ALA 9 HN ALA 9 7.747 -1.406 8.150 71 HA ALA 9 HA ALA 9 6.294 0.217 10.057 72 HB1 ALA 9 HB1 ALA 9 8.472 0.490 11.149 73 HB2 ALA 9 HB2 ALA 9 9.252 -0.340 9.804 74 HB3 ALA 9 HB3 ALA 9 8.121 -1.208 10.839 75 H SER 10 HN SER 10 7.997 0.544 7.132 76 HA SER 10 HA SER 10 8.867 3.275 7.588 77 HB2 SER 10 HB2 SER 10 10.044 1.627 6.047 78 HB3 SER 10 HB1 SER 10 8.720 1.883 4.910 79 HG SER 10 HG SER 10 10.044 3.435 4.277 80 H LEU 11 HN LEU 11 6.476 1.743 5.443 81 HA LEU 11 HA LEU 11 5.260 4.120 4.571 82 HB2 LEU 11 HB2 LEU 11 4.293 1.280 4.808 83 HB3 LEU 11 HB1 LEU 11 3.219 2.552 4.262 84 HG LEU 11 HG LEU 11 4.718 3.010 2.364 85 HD11 LEU 11 HD11 LEU 11 6.536 1.469 1.814 86 HD12 LEU 11 HD12 LEU 11 6.300 0.634 3.350 87 HD13 LEU 11 HD13 LEU 11 6.848 2.309 3.332 88 HD21 LEU 11 HD21 LEU 11 3.873 0.132 2.626 89 HD22 LEU 11 HD22 LEU 11 4.253 0.957 1.114 90 HD23 LEU 11 HD23 LEU 11 2.870 1.475 2.077 91 H THR 12 HN THR 12 4.830 2.170 7.425 92 HA THR 12 HA THR 12 2.619 3.391 8.591 93 HB THR 12 HB THR 12 5.063 2.027 9.658 94 HG1 THR 12 HG1 THR 12 3.642 0.552 9.010 95 HG21 THR 12 HG21 THR 12 2.996 3.476 11.270 96 HG22 THR 12 HG22 THR 12 4.749 3.464 11.458 97 HG23 THR 12 HG23 THR 12 3.805 2.046 11.907 98 H SER 13 HN SER 13 5.873 4.534 8.209 99 HA SER 13 HA SER 13 5.560 6.582 10.264 100 HB2 SER 13 HB2 SER 13 7.917 5.928 8.497 101 HB3 SER 13 HB1 SER 13 7.935 7.012 9.890 102 HG SER 13 HG SER 13 7.635 4.193 9.834 103 H LYS 14 HN LYS 14 5.579 6.183 6.818 104 HA LYS 14 HA LYS 14 6.183 9.010 6.361 105 HB2 LYS 14 HB2 LYS 14 5.843 6.743 4.381 106 HB3 LYS 14 HB1 LYS 14 6.459 8.350 4.024 107 HG2 LYS 14 HG2 LYS 14 8.473 7.957 5.127 108 HG3 LYS 14 HG1 LYS 14 7.819 6.589 6.026 109 HD2 LYS 14 HD2 LYS 14 9.268 5.714 4.349 110 HD3 LYS 14 HD1 LYS 14 7.614 5.368 3.850 111 HE2 LYS 14 HE2 LYS 14 8.895 6.118 1.950 112 HE3 LYS 14 HE1 LYS 14 7.685 7.331 2.361 113 HZ1 LYS 14 HZ1 LYS 14 9.355 8.656 3.412 114 HZ2 LYS 14 HZ2 LYS 14 9.897 8.264 1.855 115 HZ3 LYS 14 HZ3 LYS 14 10.527 7.454 3.203 116 H LEU 15 HN LEU 15 3.706 6.716 6.397 117 HA LEU 15 HA LEU 15 1.876 8.496 4.948 118 HB2 LEU 15 HB2 LEU 15 2.335 6.856 3.403 119 HB3 LEU 15 HB1 LEU 15 2.551 5.619 4.625 120 HG LEU 15 HG LEU 15 -0.184 6.709 4.026 121 HD11 LEU 15 HD11 LEU 15 -0.480 4.929 2.401 122 HD12 LEU 15 HD12 LEU 15 1.204 4.444 2.596 123 HD13 LEU 15 HD13 LEU 15 0.814 6.011 1.886 124 HD21 LEU 15 HD21 LEU 15 -0.380 5.383 5.845 125 HD22 LEU 15 HD22 LEU 15 1.060 4.435 5.448 126 HD23 LEU 15 HD23 LEU 15 -0.470 4.124 4.606 127 H LYS 16 HN LYS 16 2.508 6.708 7.735 128 HA LYS 16 HA LYS 16 1.461 6.815 9.763 129 HB2 LYS 16 HB2 LYS 16 -1.028 7.555 8.226 130 HB3 LYS 16 HB1 LYS 16 -0.992 7.303 9.965 131 HG2 LYS 16 HG2 LYS 16 0.482 9.157 10.273 132 HG3 LYS 16 HG1 LYS 16 0.702 9.333 8.532 133 HD2 LYS 16 HD2 LYS 16 -0.845 11.015 9.397 134 HD3 LYS 16 HD1 LYS 16 -1.661 9.912 8.289 135 HE2 LYS 16 HE2 LYS 16 -2.628 8.703 10.139 136 HE3 LYS 16 HE1 LYS 16 -1.724 9.678 11.295 137 HZ1 LYS 16 HZ1 LYS 16 -4.032 10.407 11.068 138 HZ2 LYS 16 HZ2 LYS 16 -3.789 10.717 9.420 139 HZ3 LYS 16 HZ3 LYS 16 -2.950 11.616 10.588 140 HA PRO 17 HA PRO 17 0.538 2.533 9.744 141 HB2 PRO 17 HB2 PRO 17 -0.082 2.189 12.357 142 HB3 PRO 17 HB1 PRO 17 1.566 2.467 11.793 143 HG2 PRO 17 HG2 PRO 17 -0.366 4.372 13.029 144 HG3 PRO 17 HG1 PRO 17 1.383 4.235 13.274 145 HD2 PRO 17 HD2 PRO 17 0.212 6.124 11.681 146 HD3 PRO 17 HD1 PRO 17 1.857 5.513 11.435 147 H ILE 18 HN ILE 18 -1.562 3.419 8.502 148 HA ILE 18 HA ILE 18 -3.960 2.951 10.076 149 HB ILE 18 HB ILE 18 -3.906 3.210 7.089 150 HG12 ILE 18 HG12 ILE 18 -2.591 5.095 7.989 151 HG13 ILE 18 HG11 ILE 18 -4.130 5.651 7.342 152 HG21 ILE 18 HG21 ILE 18 -6.141 4.175 7.465 153 HG22 ILE 18 HG22 ILE 18 -5.934 3.963 9.203 154 HG23 ILE 18 HG23 ILE 18 -6.008 2.554 8.146 155 HD11 ILE 18 HD11 ILE 18 -3.488 5.227 10.252 156 HD12 ILE 18 HD12 ILE 18 -5.029 5.788 9.606 157 HD13 ILE 18 HD13 ILE 18 -3.582 6.777 9.419 158 H HIS 19 HN HIS 19 -3.071 1.627 6.876 159 HA HIS 19 HA HIS 19 -3.056 -1.065 7.949 160 HB2 HIS 19 HB2 HIS 19 -5.441 -0.685 7.366 161 HB3 HIS 19 HB1 HIS 19 -4.945 -0.279 5.731 162 HD1 HIS 19 HD1 HIS 19 -5.328 -3.210 8.042 163 HD2 HIS 19 HD2 HIS 19 -4.403 -2.445 4.055 164 HE1 HIS 19 HE1 HIS 19 -5.490 -5.423 6.863 165 HE2 HIS 19 HE2 HIS 19 -5.051 -4.917 4.440 166 H LEU 20 HN LEU 20 -0.979 -1.251 7.343 167 HA LEU 20 HA LEU 20 -0.505 -1.366 4.430 168 HB2 LEU 20 HB2 LEU 20 1.577 -0.964 6.598 169 HB3 LEU 20 HB1 LEU 20 1.885 -1.057 4.885 170 HG LEU 20 HG LEU 20 2.088 1.211 5.465 171 HD11 LEU 20 HD11 LEU 20 0.356 2.299 4.177 172 HD12 LEU 20 HD12 LEU 20 -0.655 0.857 4.286 173 HD13 LEU 20 HD13 LEU 20 0.871 0.803 3.400 174 HD21 LEU 20 HD21 LEU 20 0.368 2.490 6.642 175 HD22 LEU 20 HD22 LEU 20 1.004 1.176 7.631 176 HD23 LEU 20 HD23 LEU 20 -0.574 1.015 6.860 177 H GLU 21 HN GLU 21 -0.135 -3.381 3.737 178 HA GLU 21 HA GLU 21 1.279 -5.250 5.405 179 HB2 GLU 21 HB2 GLU 21 -0.317 -7.059 5.015 180 HB3 GLU 21 HB1 GLU 21 -1.058 -5.727 5.885 181 HG2 GLU 21 HG2 GLU 21 -2.297 -5.045 4.015 182 HG3 GLU 21 HG1 GLU 21 -1.355 -6.065 2.926 183 H VAL 22 HN VAL 22 2.959 -5.508 4.194 184 HA VAL 22 HA VAL 22 2.667 -5.616 1.299 185 HB VAL 22 HB VAL 22 5.011 -5.162 1.149 186 HG11 VAL 22 HG11 VAL 22 3.664 -3.222 1.472 187 HG12 VAL 22 HG12 VAL 22 5.130 -3.014 2.428 188 HG13 VAL 22 HG13 VAL 22 3.616 -3.470 3.215 189 HG21 VAL 22 HG21 VAL 22 5.075 -5.520 4.139 190 HG22 VAL 22 HG22 VAL 22 6.399 -4.855 3.185 191 HG23 VAL 22 HG23 VAL 22 5.875 -6.519 2.928 192 H ILE 23 HN ILE 23 3.731 -7.225 0.082 193 HA ILE 23 HA ILE 23 4.007 -9.759 1.510 194 HB ILE 23 HB ILE 23 2.966 -9.417 -1.293 195 HG12 ILE 23 HG12 ILE 23 1.405 -8.477 0.393 196 HG13 ILE 23 HG11 ILE 23 0.737 -9.876 -0.443 197 HG21 ILE 23 HG21 ILE 23 4.041 -11.553 -0.904 198 HG22 ILE 23 HG22 ILE 23 2.300 -11.767 -1.083 199 HG23 ILE 23 HG23 ILE 23 3.035 -11.819 0.519 200 HD11 ILE 23 HD11 ILE 23 0.229 -9.909 1.938 201 HD12 ILE 23 HD12 ILE 23 1.953 -9.882 2.312 202 HD13 ILE 23 HD13 ILE 23 1.252 -11.272 1.484 203 H ASP 24 HN ASP 24 6.128 -9.838 1.582 204 HA ASP 24 HA ASP 24 7.905 -9.221 -0.552 205 HB2 ASP 24 HB2 ASP 24 8.709 -9.141 1.737 206 HB3 ASP 24 HB1 ASP 24 8.356 -10.852 1.952 207 H ILE 25 HN ILE 25 7.988 -10.310 -2.358 208 HA ILE 25 HA ILE 25 7.634 -13.231 -2.319 209 HB ILE 25 HB ILE 25 7.699 -11.476 -4.768 210 HG12 ILE 25 HG12 ILE 25 5.182 -12.341 -3.354 211 HG13 ILE 25 HG11 ILE 25 5.943 -10.783 -3.036 212 HG21 ILE 25 HG21 ILE 25 6.485 -14.184 -4.224 213 HG22 ILE 25 HG22 ILE 25 7.954 -13.869 -5.146 214 HG23 ILE 25 HG23 ILE 25 6.396 -13.309 -5.753 215 HD11 ILE 25 HD11 ILE 25 5.696 -10.178 -5.371 216 HD12 ILE 25 HD12 ILE 25 4.140 -10.584 -4.645 217 HD13 ILE 25 HD13 ILE 25 4.948 -11.739 -5.706 218 H SER 26 HN SER 26 10.074 -10.952 -2.314 219 HA SER 26 HA SER 26 11.858 -12.740 -3.811 220 HB2 SER 26 HB2 SER 26 13.029 -10.476 -4.481 221 HB3 SER 26 HB1 SER 26 11.658 -11.097 -5.404 222 HG SER 26 HG SER 26 10.331 -9.659 -4.423 223 H GLY 27 HN GLY 27 12.715 -9.630 -2.361 224 HA2 GLY 27 HA2 GLY 27 13.792 -10.565 0.030 225 HA3 GLY 27 HA1 GLY 27 15.031 -10.766 -1.198 226 H GLY 28 HN GLY 28 16.271 -9.048 -1.739 227 HA2 GLY 28 HA2 GLY 28 15.562 -6.502 -0.404 228 HA3 GLY 28 HA1 GLY 28 17.181 -7.172 -0.342 229 H CYS 29 HN CYS 29 17.138 -8.005 -3.117 230 HA CYS 29 HA CYS 29 17.753 -5.370 -4.275 231 HB2 CYS 29 HB2 CYS 29 19.640 -7.014 -4.013 232 HB3 CYS 29 HB1 CYS 29 18.814 -8.061 -5.160 233 HG CYS 29 HG CYS 29 19.176 -6.527 -7.353 234 H GLY 30 HN GLY 30 16.288 -8.481 -4.896 235 HA2 GLY 30 HA2 GLY 30 15.084 -7.689 -7.396 236 HA3 GLY 30 HA1 GLY 30 14.815 -9.192 -6.501 237 H SER 31 HN SER 31 14.683 -7.322 -4.158 238 HA SER 31 HA SER 31 12.328 -7.782 -3.179 239 HB2 SER 31 HB2 SER 31 12.554 -5.700 -1.879 240 HB3 SER 31 HB1 SER 31 14.074 -6.545 -2.040 241 HG SER 31 HG SER 31 14.793 -4.714 -2.758 242 H SER 32 HN SER 32 10.497 -7.804 -4.063 243 HA SER 32 HA SER 32 9.314 -5.306 -5.054 244 HB2 SER 32 HB2 SER 32 8.830 -8.051 -6.252 245 HB3 SER 32 HB1 SER 32 8.122 -6.529 -6.798 246 HG SER 32 HG SER 32 10.925 -6.876 -6.690 247 H PHE 33 HN PHE 33 7.928 -4.809 -3.507 248 HA PHE 33 HA PHE 33 6.627 -7.000 -2.052 249 HB2 PHE 33 HB2 PHE 33 6.960 -4.117 -1.219 250 HB3 PHE 33 HB1 PHE 33 6.348 -5.431 -0.226 251 HD1 PHE 33 HD2 PHE 33 7.904 -7.414 0.138 252 HD2 PHE 33 HD1 PHE 33 9.242 -3.598 -1.158 253 HE1 PHE 33 HE2 PHE 33 10.180 -7.962 0.885 254 HE2 PHE 33 HE1 PHE 33 11.522 -4.139 -0.420 255 HZ PHE 33 HZ PHE 33 11.991 -6.322 0.610 256 H GLU 34 HN GLU 34 4.522 -7.252 -2.118 257 HA GLU 34 HA GLU 34 2.911 -5.350 -3.657 258 HB2 GLU 34 HB2 GLU 34 2.037 -8.004 -2.503 259 HB3 GLU 34 HB1 GLU 34 1.266 -7.089 -3.788 260 HG2 GLU 34 HG2 GLU 34 4.008 -8.297 -4.021 261 HG3 GLU 34 HG1 GLU 34 2.531 -9.115 -4.520 262 H VAL 35 HN VAL 35 2.102 -3.704 -2.451 263 HA VAL 35 HA VAL 35 1.499 -4.265 0.366 264 HB VAL 35 HB VAL 35 3.047 -2.400 -0.130 265 HG11 VAL 35 HG11 VAL 35 2.065 -1.621 -2.221 266 HG12 VAL 35 HG12 VAL 35 2.206 -0.310 -1.049 267 HG13 VAL 35 HG13 VAL 35 0.639 -1.062 -1.343 268 HG21 VAL 35 HG21 VAL 35 0.452 -1.580 1.165 269 HG22 VAL 35 HG22 VAL 35 2.005 -0.769 1.372 270 HG23 VAL 35 HG23 VAL 35 1.787 -2.421 1.951 271 H GLU 36 HN GLU 36 -0.459 -4.079 1.250 272 HA GLU 36 HA GLU 36 -2.655 -3.022 -0.391 273 HB2 GLU 36 HB2 GLU 36 -3.051 -5.315 0.385 274 HB3 GLU 36 HB1 GLU 36 -2.733 -4.826 2.042 275 HG2 GLU 36 HG2 GLU 36 -4.677 -3.355 1.979 276 HG3 GLU 36 HG1 GLU 36 -5.012 -3.872 0.326 277 H VAL 37 HN VAL 37 -2.911 -0.953 0.019 278 HA VAL 37 HA VAL 37 -2.318 0.066 2.699 279 HB VAL 37 HB VAL 37 -2.586 1.675 0.159 280 HG11 VAL 37 HG11 VAL 37 -1.367 2.350 2.828 281 HG12 VAL 37 HG12 VAL 37 -2.912 2.932 2.209 282 HG13 VAL 37 HG13 VAL 37 -1.410 3.403 1.414 283 HG21 VAL 37 HG21 VAL 37 -0.734 0.117 -0.110 284 HG22 VAL 37 HG22 VAL 37 -0.057 0.640 1.433 285 HG23 VAL 37 HG23 VAL 37 -0.140 1.767 0.079 286 H VAL 38 HN VAL 38 -3.922 0.740 3.875 287 HA VAL 38 HA VAL 38 -6.230 1.969 2.537 288 HB VAL 38 HB VAL 38 -6.345 0.604 5.232 289 HG11 VAL 38 HG11 VAL 38 -7.941 2.395 4.984 290 HG12 VAL 38 HG12 VAL 38 -8.766 0.836 4.967 291 HG13 VAL 38 HG13 VAL 38 -8.502 1.712 3.458 292 HG21 VAL 38 HG21 VAL 38 -7.288 -0.405 2.558 293 HG22 VAL 38 HG22 VAL 38 -7.646 -1.159 4.110 294 HG23 VAL 38 HG23 VAL 38 -5.982 -1.080 3.530 295 H SER 39 HN SER 39 -5.619 4.064 2.677 296 HA SER 39 HA SER 39 -5.133 5.134 5.327 297 HB2 SER 39 HB2 SER 39 -2.923 4.392 4.295 298 HB3 SER 39 HB1 SER 39 -3.163 5.684 3.119 299 HG SER 39 HG SER 39 -2.182 5.860 5.580 300 H GLU 40 HN GLU 40 -4.986 7.496 5.284 301 HA GLU 40 HA GLU 40 -7.406 8.404 4.136 302 HB2 GLU 40 HB2 GLU 40 -6.899 10.500 5.302 303 HB3 GLU 40 HB1 GLU 40 -6.654 9.095 6.330 304 HG2 GLU 40 HG2 GLU 40 -4.272 9.213 6.015 305 HG3 GLU 40 HG1 GLU 40 -4.464 10.543 4.874 306 H GLN 41 HN GLN 41 -4.727 7.993 2.469 307 HA GLN 41 HA GLN 41 -4.600 10.616 1.162 308 HB2 GLN 41 HB2 GLN 41 -3.232 8.439 -0.240 309 HB3 GLN 41 HB1 GLN 41 -2.591 9.978 0.316 310 HG2 GLN 41 HG2 GLN 41 -2.963 7.515 1.998 311 HG3 GLN 41 HG1 GLN 41 -1.438 8.098 1.334 312 HE21 GLN 41 HE21 GLN 41 -2.571 7.696 4.083 313 HE22 GLN 41 HE22 GLN 41 -2.245 9.183 4.894 314 H PHE 42 HN PHE 42 -6.460 8.025 1.162 315 HA PHE 42 HA PHE 42 -7.086 8.101 -1.702 316 HB2 PHE 42 HB2 PHE 42 -7.607 5.952 0.363 317 HB3 PHE 42 HB1 PHE 42 -7.934 5.816 -1.365 318 HD1 PHE 42 HD2 PHE 42 -5.273 7.252 -2.144 319 HD2 PHE 42 HD1 PHE 42 -6.207 4.027 0.470 320 HE1 PHE 42 HE2 PHE 42 -3.009 6.345 -2.456 321 HE2 PHE 42 HE1 PHE 42 -3.949 3.126 0.170 322 HZ PHE 42 HZ PHE 42 -2.349 4.281 -1.293 323 H GLU 43 HN GLU 43 -7.968 9.791 0.680 324 HA GLU 43 HA GLU 43 -10.601 8.936 1.428 325 HB2 GLU 43 HB2 GLU 43 -9.243 10.323 2.907 326 HB3 GLU 43 HB1 GLU 43 -9.288 11.637 1.739 327 HG2 GLU 43 HG2 GLU 43 -10.847 12.013 3.571 328 HG3 GLU 43 HG1 GLU 43 -11.688 11.849 2.031 329 H GLY 44 HN GLY 44 -12.241 8.854 0.052 330 HA2 GLY 44 HA2 GLY 44 -13.763 9.446 -1.566 331 HA3 GLY 44 HA1 GLY 44 -13.422 11.110 -1.111 332 H LYS 45 HN LYS 45 -10.937 9.005 -2.234 333 HA LYS 45 HA LYS 45 -10.361 10.923 -4.324 334 HB2 LYS 45 HB2 LYS 45 -8.827 8.901 -2.740 335 HB3 LYS 45 HB1 LYS 45 -8.153 9.610 -4.174 336 HG2 LYS 45 HG2 LYS 45 -9.004 11.021 -1.670 337 HG3 LYS 45 HG1 LYS 45 -7.350 10.814 -2.265 338 HD2 LYS 45 HD2 LYS 45 -7.984 12.160 -4.274 339 HD3 LYS 45 HD1 LYS 45 -9.543 12.474 -3.509 340 HE2 LYS 45 HE2 LYS 45 -8.123 14.349 -3.088 341 HE3 LYS 45 HE1 LYS 45 -8.320 13.463 -1.578 342 HZ1 LYS 45 HZ1 LYS 45 -6.163 12.466 -1.892 343 HZ2 LYS 45 HZ2 LYS 45 -6.019 14.149 -1.977 344 HZ3 LYS 45 HZ3 LYS 45 -5.983 13.227 -3.393 345 H ARG 46 HN ARG 46 -9.564 10.190 -6.365 346 HA ARG 46 HA ARG 46 -10.851 7.748 -7.277 347 HB2 ARG 46 HB2 ARG 46 -9.324 9.847 -8.825 348 HB3 ARG 46 HB1 ARG 46 -10.233 8.519 -9.523 349 HG2 ARG 46 HG2 ARG 46 -12.288 9.447 -8.531 350 HG3 ARG 46 HG1 ARG 46 -11.346 10.814 -7.933 351 HD2 ARG 46 HD2 ARG 46 -10.765 11.446 -10.189 352 HD3 ARG 46 HD1 ARG 46 -11.587 10.025 -10.831 353 HE ARG 46 HE ARG 46 -13.214 11.851 -9.266 354 HH11 ARG 46 HH11 ARG 46 -12.157 10.819 -12.438 355 HH12 ARG 46 HH12 ARG 46 -13.507 11.536 -13.257 356 HH21 ARG 46 HH21 ARG 46 -14.979 12.799 -10.328 357 HH22 ARG 46 HH22 ARG 46 -15.118 12.675 -12.054 358 H LEU 47 HN LEU 47 -9.751 5.997 -8.091 359 HA LEU 47 HA LEU 47 -7.598 5.040 -6.773 360 HB2 LEU 47 HB2 LEU 47 -8.371 4.382 -9.605 361 HB3 LEU 47 HB1 LEU 47 -7.268 3.429 -8.635 362 HG LEU 47 HG LEU 47 -10.192 3.891 -8.022 363 HD11 LEU 47 HD11 LEU 47 -8.747 1.445 -9.029 364 HD12 LEU 47 HD12 LEU 47 -9.849 2.457 -9.962 365 HD13 LEU 47 HD13 LEU 47 -10.452 1.532 -8.587 366 HD21 LEU 47 HD21 LEU 47 -9.004 3.607 -5.970 367 HD22 LEU 47 HD22 LEU 47 -8.078 2.261 -6.626 368 HD23 LEU 47 HD23 LEU 47 -9.809 2.085 -6.340 369 H LEU 48 HN LEU 48 -7.449 6.816 -9.781 370 HA LEU 48 HA LEU 48 -4.708 6.454 -10.332 371 HB2 LEU 48 HB2 LEU 48 -6.244 7.201 -12.052 372 HB3 LEU 48 HB1 LEU 48 -6.614 8.653 -11.142 373 HG LEU 48 HG LEU 48 -4.283 9.422 -11.459 374 HD11 LEU 48 HD11 LEU 48 -4.056 6.984 -13.212 375 HD12 LEU 48 HD12 LEU 48 -3.186 7.275 -11.706 376 HD13 LEU 48 HD13 LEU 48 -2.875 8.288 -13.114 377 HD21 LEU 48 HD21 LEU 48 -4.500 9.954 -13.842 378 HD22 LEU 48 HD22 LEU 48 -6.021 10.170 -12.977 379 HD23 LEU 48 HD23 LEU 48 -5.777 8.747 -13.988 380 H GLU 49 HN GLU 49 -6.456 9.163 -8.898 381 HA GLU 49 HA GLU 49 -4.270 10.743 -8.128 382 HB2 GLU 49 HB2 GLU 49 -6.745 10.546 -6.442 383 HB3 GLU 49 HB1 GLU 49 -5.806 11.972 -6.867 384 HG2 GLU 49 HG2 GLU 49 -7.496 10.412 -8.792 385 HG3 GLU 49 HG1 GLU 49 -8.034 11.862 -7.939 386 H ARG 50 HN ARG 50 -6.008 8.134 -6.659 387 HA ARG 50 HA ARG 50 -4.928 8.079 -4.099 388 HB2 ARG 50 HB2 ARG 50 -5.983 5.953 -5.957 389 HB3 ARG 50 HB1 ARG 50 -5.414 5.545 -4.329 390 HG2 ARG 50 HG2 ARG 50 -7.071 7.227 -3.460 391 HG3 ARG 50 HG1 ARG 50 -7.704 7.333 -5.103 392 HD2 ARG 50 HD2 ARG 50 -7.908 4.766 -4.943 393 HD3 ARG 50 HD1 ARG 50 -7.749 5.011 -3.208 394 HE ARG 50 HE ARG 50 -9.732 6.706 -4.366 395 HH11 ARG 50 HH11 ARG 50 -9.194 3.446 -3.175 396 HH12 ARG 50 HH12 ARG 50 -10.879 3.173 -2.850 397 HH21 ARG 50 HH21 ARG 50 -11.906 6.342 -3.939 398 HH22 ARG 50 HH22 ARG 50 -12.420 4.833 -3.240 399 H HIS 51 HN HIS 51 -3.850 6.373 -7.016 400 HA HIS 51 HA HIS 51 -1.605 5.205 -5.694 401 HB2 HIS 51 HB2 HIS 51 -2.227 5.461 -8.644 402 HB3 HIS 51 HB1 HIS 51 -0.905 4.503 -7.983 403 HD1 HIS 51 HD1 HIS 51 -3.983 3.885 -9.408 404 HD2 HIS 51 HD2 HIS 51 -2.317 2.695 -5.806 405 HE1 HIS 51 HE1 HIS 51 -5.241 1.836 -8.695 406 HE2 HIS 51 HE2 HIS 51 -4.117 1.050 -6.607 407 H ARG 52 HN ARG 52 -2.086 8.014 -7.736 408 HA ARG 52 HA ARG 52 0.661 8.607 -8.128 409 HB2 ARG 52 HB2 ARG 52 -1.214 9.470 -9.539 410 HB3 ARG 52 HB1 ARG 52 -1.704 10.492 -8.197 411 HG2 ARG 52 HG2 ARG 52 0.490 11.623 -8.301 412 HG3 ARG 52 HG1 ARG 52 0.891 10.644 -9.714 413 HD2 ARG 52 HD2 ARG 52 0.108 12.771 -10.478 414 HD3 ARG 52 HD1 ARG 52 -1.120 11.566 -10.846 415 HE ARG 52 HE ARG 52 -1.275 13.502 -8.629 416 HH11 ARG 52 HH11 ARG 52 -2.815 11.423 -10.993 417 HH12 ARG 52 HH12 ARG 52 -4.423 11.967 -10.616 418 HH21 ARG 52 HH21 ARG 52 -3.375 14.254 -8.160 419 HH22 ARG 52 HH22 ARG 52 -4.740 13.599 -9.018 420 H MET 53 HN MET 53 -1.401 8.870 -5.460 421 HA MET 53 HA MET 53 0.026 11.165 -4.364 422 HB2 MET 53 HB2 MET 53 -2.494 10.977 -4.280 423 HB3 MET 53 HB1 MET 53 -2.286 9.661 -3.136 424 HG2 MET 53 HG2 MET 53 -2.767 11.730 -1.976 425 HG3 MET 53 HG1 MET 53 -1.145 11.157 -1.590 426 HE1 MET 53 HE1 MET 53 -2.341 12.984 -4.892 427 HE2 MET 53 HE2 MET 53 -2.047 14.667 -4.452 428 HE3 MET 53 HE3 MET 53 -3.282 13.739 -3.604 429 H VAL 54 HN VAL 54 -0.602 7.773 -3.780 430 HA VAL 54 HA VAL 54 0.784 7.646 -1.305 431 HB VAL 54 HB VAL 54 -0.808 5.941 -2.751 432 HG11 VAL 54 HG11 VAL 54 1.908 4.656 -2.642 433 HG12 VAL 54 HG12 VAL 54 1.065 5.164 -4.106 434 HG13 VAL 54 HG13 VAL 54 0.398 3.871 -3.108 435 HG21 VAL 54 HG21 VAL 54 -0.426 4.356 -0.865 436 HG22 VAL 54 HG22 VAL 54 -0.753 6.013 -0.363 437 HG23 VAL 54 HG23 VAL 54 0.897 5.392 -0.336 438 H ASN 55 HN ASN 55 1.638 7.088 -4.664 439 HA ASN 55 HA ASN 55 4.290 6.246 -3.959 440 HB2 ASN 55 HB2 ASN 55 4.696 5.855 -6.175 441 HB3 ASN 55 HB1 ASN 55 2.956 5.621 -6.122 442 HD21 ASN 55 HD21 ASN 55 2.248 8.352 -6.003 443 HD22 ASN 55 HD22 ASN 55 2.685 9.103 -7.496 444 H ALA 56 HN ALA 56 2.717 9.222 -4.343 445 HA ALA 56 HA ALA 56 4.912 10.825 -5.061 446 HB1 ALA 56 HB1 ALA 56 3.778 12.656 -3.888 447 HB2 ALA 56 HB2 ALA 56 2.689 11.498 -3.123 448 HB3 ALA 56 HB3 ALA 56 2.638 11.736 -4.869 449 H ALA 57 HN ALA 57 3.812 9.503 -2.025 450 HA ALA 57 HA ALA 57 6.029 10.662 -0.529 451 HB1 ALA 57 HB1 ALA 57 4.818 9.750 1.424 452 HB2 ALA 57 HB2 ALA 57 3.619 9.061 0.325 453 HB3 ALA 57 HB3 ALA 57 3.810 10.811 0.439 454 H LEU 58 HN LEU 58 5.713 8.129 -2.466 455 HA LEU 58 HA LEU 58 7.332 6.324 -0.826 456 HB2 LEU 58 HB2 LEU 58 4.709 5.851 -2.070 457 HB3 LEU 58 HB1 LEU 58 5.900 4.611 -2.369 458 HG LEU 58 HG LEU 58 4.558 3.948 -0.499 459 HD11 LEU 58 HD11 LEU 58 7.208 4.932 0.532 460 HD12 LEU 58 HD12 LEU 58 6.944 3.435 -0.363 461 HD13 LEU 58 HD13 LEU 58 6.217 3.651 1.228 462 HD21 LEU 58 HD21 LEU 58 3.696 6.123 0.152 463 HD22 LEU 58 HD22 LEU 58 5.281 6.581 0.772 464 HD23 LEU 58 HD23 LEU 58 4.377 5.279 1.543 465 H GLU 59 HN GLU 59 7.243 8.148 -3.480 466 HA GLU 59 HA GLU 59 8.056 6.342 -5.548 467 HB2 GLU 59 HB2 GLU 59 7.052 8.616 -5.983 468 HB3 GLU 59 HB1 GLU 59 8.552 9.336 -5.392 469 HG2 GLU 59 HG2 GLU 59 8.554 7.427 -7.703 470 HG3 GLU 59 HG1 GLU 59 8.172 9.129 -7.925 471 H GLU 60 HN GLU 60 9.607 8.197 -3.106 472 HA GLU 60 HA GLU 60 12.251 7.860 -4.161 473 HB2 GLU 60 HB2 GLU 60 12.663 8.835 -1.696 474 HB3 GLU 60 HB1 GLU 60 12.196 9.832 -3.059 475 HG2 GLU 60 HG2 GLU 60 10.857 10.522 -1.258 476 HG3 GLU 60 HG1 GLU 60 9.808 9.589 -2.323 477 H GLU 61 HN GLU 61 10.130 6.465 -1.832 478 HA GLU 61 HA GLU 61 11.944 4.685 -0.612 479 HB2 GLU 61 HB2 GLU 61 9.637 5.390 0.159 480 HB3 GLU 61 HB1 GLU 61 8.995 4.285 -1.044 481 HG2 GLU 61 HG2 GLU 61 8.988 3.189 1.084 482 HG3 GLU 61 HG1 GLU 61 10.182 2.421 0.040 483 H MET 62 HN MET 62 9.812 4.512 -3.394 484 HA MET 62 HA MET 62 10.086 1.734 -3.854 485 HB2 MET 62 HB2 MET 62 8.196 3.143 -4.659 486 HB3 MET 62 HB1 MET 62 9.286 3.906 -5.803 487 HG2 MET 62 HG2 MET 62 8.948 0.944 -5.853 488 HG3 MET 62 HG1 MET 62 7.700 1.976 -6.549 489 HE1 MET 62 HE1 MET 62 9.038 -0.148 -8.401 490 HE2 MET 62 HE2 MET 62 9.402 0.828 -9.821 491 HE3 MET 62 HE3 MET 62 7.885 1.064 -8.955 492 H LYS 63 HN LYS 63 11.983 4.507 -4.752 493 HA LYS 63 HA LYS 63 13.471 3.007 -6.750 494 HB2 LYS 63 HB2 LYS 63 14.722 5.035 -7.124 495 HB3 LYS 63 HB1 LYS 63 13.008 5.420 -7.083 496 HG2 LYS 63 HG2 LYS 63 13.267 6.168 -4.748 497 HG3 LYS 63 HG1 LYS 63 15.000 5.868 -4.875 498 HD2 LYS 63 HD2 LYS 63 13.425 7.783 -6.589 499 HD3 LYS 63 HD1 LYS 63 14.439 8.235 -5.219 500 HE2 LYS 63 HE2 LYS 63 16.399 7.356 -6.356 501 HE3 LYS 63 HE1 LYS 63 15.399 6.830 -7.708 502 HZ1 LYS 63 HZ1 LYS 63 15.849 9.628 -6.845 503 HZ2 LYS 63 HZ2 LYS 63 14.798 9.160 -8.079 504 HZ3 LYS 63 HZ3 LYS 63 16.459 8.897 -8.243 505 H GLU 64 HN GLU 64 13.475 3.304 -3.424 506 HA GLU 64 HA GLU 64 16.348 2.933 -3.132 507 HB2 GLU 64 HB2 GLU 64 14.962 4.272 -1.485 508 HB3 GLU 64 HB1 GLU 64 14.246 2.749 -0.974 509 HG2 GLU 64 HG2 GLU 64 16.440 1.927 -0.313 510 HG3 GLU 64 HG1 GLU 64 17.173 3.437 -0.848 511 H ILE 65 HN ILE 65 13.421 1.159 -3.267 512 HA ILE 65 HA ILE 65 14.922 -1.352 -2.941 513 HB ILE 65 HB ILE 65 12.854 -2.513 -2.562 514 HG12 ILE 65 HG12 ILE 65 11.709 -0.318 -3.919 515 HG13 ILE 65 HG11 ILE 65 10.900 -1.776 -3.359 516 HG21 ILE 65 HG21 ILE 65 12.146 -1.529 -0.438 517 HG22 ILE 65 HG22 ILE 65 12.940 -0.015 -0.872 518 HG23 ILE 65 HG23 ILE 65 13.901 -1.470 -0.619 519 HD11 ILE 65 HD11 ILE 65 10.469 -0.675 -1.201 520 HD12 ILE 65 HD12 ILE 65 9.727 0.161 -2.566 521 HD13 ILE 65 HD13 ILE 65 11.200 0.800 -1.835 522 H HIS 66 HN HIS 66 13.204 -2.998 -4.441 523 HA HIS 66 HA HIS 66 13.948 -2.020 -7.083 524 HB2 HIS 66 HB2 HIS 66 14.496 -4.366 -6.325 525 HB3 HIS 66 HB1 HIS 66 12.774 -4.717 -6.433 526 HD1 HIS 66 HD1 HIS 66 15.257 -3.028 -8.760 527 HD2 HIS 66 HD2 HIS 66 12.295 -5.916 -8.798 528 HE1 HIS 66 HE1 HIS 66 15.078 -3.798 -11.125 529 HE2 HIS 66 HE2 HIS 66 13.169 -5.411 -11.166 530 H ALA 67 HN ALA 67 11.075 -2.677 -5.190 531 HA ALA 67 HA ALA 67 9.349 -1.348 -6.959 532 HB1 ALA 67 HB1 ALA 67 9.211 -4.354 -7.106 533 HB2 ALA 67 HB2 ALA 67 9.745 -3.276 -8.395 534 HB3 ALA 67 HB3 ALA 67 8.071 -3.230 -7.846 535 H LEU 68 HN LEU 68 7.585 -0.785 -5.916 536 HA LEU 68 HA LEU 68 6.508 -2.510 -3.796 537 HB2 LEU 68 HB2 LEU 68 7.554 0.073 -3.444 538 HB3 LEU 68 HB1 LEU 68 5.809 0.277 -3.479 539 HG LEU 68 HG LEU 68 6.558 0.053 -1.195 540 HD11 LEU 68 HD11 LEU 68 5.163 -1.804 -0.470 541 HD12 LEU 68 HD12 LEU 68 5.134 -2.435 -2.116 542 HD13 LEU 68 HD13 LEU 68 4.382 -0.881 -1.754 543 HD21 LEU 68 HD21 LEU 68 8.597 -1.138 -1.455 544 HD22 LEU 68 HD22 LEU 68 7.764 -2.537 -2.123 545 HD23 LEU 68 HD23 LEU 68 7.539 -2.103 -0.429 546 H SER 69 HN SER 69 4.711 -3.314 -4.688 547 HA SER 69 HA SER 69 3.203 -1.666 -6.577 548 HB2 SER 69 HB2 SER 69 2.762 -4.576 -5.909 549 HB3 SER 69 HB1 SER 69 2.183 -3.697 -7.322 550 HG SER 69 HG SER 69 4.577 -4.913 -6.878 551 H ILE 70 HN ILE 70 1.631 -0.479 -5.702 552 HA ILE 70 HA ILE 70 0.289 -1.345 -3.304 553 HB ILE 70 HB ILE 70 0.721 0.995 -3.398 554 HG12 ILE 70 HG12 ILE 70 -2.224 0.614 -3.977 555 HG13 ILE 70 HG11 ILE 70 -1.455 0.277 -2.431 556 HG21 ILE 70 HG21 ILE 70 -0.754 1.064 -6.021 557 HG22 ILE 70 HG22 ILE 70 0.980 1.280 -5.784 558 HG23 ILE 70 HG23 ILE 70 -0.151 2.472 -5.145 559 HD11 ILE 70 HD11 ILE 70 -0.880 2.602 -2.177 560 HD12 ILE 70 HD12 ILE 70 -2.609 2.431 -2.474 561 HD13 ILE 70 HD13 ILE 70 -1.540 2.965 -3.770 562 H LYS 71 HN LYS 71 -0.727 -3.153 -3.842 563 HA LYS 71 HA LYS 71 -2.163 -3.569 -6.243 564 HB2 LYS 71 HB2 LYS 71 -2.698 -5.076 -3.693 565 HB3 LYS 71 HB1 LYS 71 -2.757 -5.670 -5.347 566 HG2 LYS 71 HG2 LYS 71 -0.248 -4.847 -3.920 567 HG3 LYS 71 HG1 LYS 71 -0.836 -6.508 -4.034 568 HD2 LYS 71 HD2 LYS 71 -0.136 -4.744 -6.379 569 HD3 LYS 71 HD1 LYS 71 0.902 -6.001 -5.706 570 HE2 LYS 71 HE2 LYS 71 -0.956 -7.632 -6.163 571 HE3 LYS 71 HE1 LYS 71 -1.772 -6.346 -7.051 572 HZ1 LYS 71 HZ1 LYS 71 0.165 -6.199 -8.502 573 HZ2 LYS 71 HZ2 LYS 71 -0.513 -7.746 -8.539 574 HZ3 LYS 71 HZ3 LYS 71 0.908 -7.465 -7.660 575 H LYS 72 HN LYS 72 -2.909 -2.237 -3.181 576 HA LYS 72 HA LYS 72 -5.674 -1.811 -3.964 577 HB2 LYS 72 HB2 LYS 72 -4.758 -3.532 -1.772 578 HB3 LYS 72 HB1 LYS 72 -6.033 -2.394 -1.350 579 HG2 LYS 72 HG2 LYS 72 -7.521 -3.294 -2.873 580 HG3 LYS 72 HG1 LYS 72 -6.249 -4.093 -3.797 581 HD2 LYS 72 HD2 LYS 72 -6.925 -4.853 -0.961 582 HD3 LYS 72 HD1 LYS 72 -7.675 -5.614 -2.367 583 HE2 LYS 72 HE2 LYS 72 -5.485 -6.308 -3.177 584 HE3 LYS 72 HE1 LYS 72 -4.709 -5.510 -1.813 585 HZ1 LYS 72 HZ1 LYS 72 -5.777 -7.039 -0.316 586 HZ2 LYS 72 HZ2 LYS 72 -4.933 -7.910 -1.498 587 HZ3 LYS 72 HZ3 LYS 72 -6.616 -7.773 -1.593 588 H ALA 73 HN ALA 73 -6.147 0.106 -3.794 589 HA ALA 73 HA ALA 73 -4.963 1.774 -1.673 590 HB1 ALA 73 HB1 ALA 73 -5.292 3.699 -3.142 591 HB2 ALA 73 HB2 ALA 73 -5.979 2.651 -4.382 592 HB3 ALA 73 HB3 ALA 73 -4.282 2.487 -3.931 593 H GLN 74 HN GLN 74 -6.490 1.504 -0.147 594 HA GLN 74 HA GLN 74 -9.251 2.265 -0.851 595 HB2 GLN 74 HB2 GLN 74 -8.362 0.054 1.004 596 HB3 GLN 74 HB1 GLN 74 -10.029 0.556 0.762 597 HG2 GLN 74 HG2 GLN 74 -10.076 -0.245 -1.431 598 HG3 GLN 74 HG1 GLN 74 -8.320 -0.338 -1.528 599 HE21 GLN 74 HE21 GLN 74 -8.026 -1.600 1.059 600 HE22 GLN 74 HE22 GLN 74 -8.558 -3.232 0.867 601 H THR 75 HN THR 75 -10.441 3.333 0.755 602 HA THR 75 HA THR 75 -8.887 4.382 2.998 603 HB THR 75 HB THR 75 -11.127 6.001 2.605 604 HG1 THR 75 HG1 THR 75 -10.173 6.509 0.248 605 HG21 THR 75 HG21 THR 75 -9.307 7.631 1.848 606 HG22 THR 75 HG22 THR 75 -8.181 6.304 2.121 607 HG23 THR 75 HG23 THR 75 -9.149 6.927 3.452 608 HA PRO 76 HA PRO 76 -11.601 2.653 6.027 609 HB2 PRO 76 HB2 PRO 76 -11.518 5.385 7.211 610 HB3 PRO 76 HB1 PRO 76 -11.216 3.817 7.967 611 HG2 PRO 76 HG2 PRO 76 -9.187 5.397 7.351 612 HG3 PRO 76 HG1 PRO 76 -9.077 3.649 7.068 613 HD2 PRO 76 HD2 PRO 76 -9.550 5.860 5.116 614 HD3 PRO 76 HD1 PRO 76 -8.585 4.384 4.936 615 H GLN 77 HN GLN 77 -12.561 5.379 4.117 616 HA GLN 77 HA GLN 77 -15.204 5.496 5.264 617 HB2 GLN 77 HB2 GLN 77 -15.422 7.413 4.143 618 HB3 GLN 77 HB1 GLN 77 -13.753 7.201 3.641 619 HG2 GLN 77 HG2 GLN 77 -15.743 5.836 1.983 620 HG3 GLN 77 HG1 GLN 77 -15.784 7.602 1.930 621 HE21 GLN 77 HE21 GLN 77 -13.088 5.538 2.503 622 HE22 GLN 77 HE22 GLN 77 -12.239 5.883 1.033 623 H GLN 78 HN GLN 78 -13.726 3.767 2.575 624 HA GLN 78 HA GLN 78 -16.311 2.479 2.031 625 HB2 GLN 78 HB2 GLN 78 -13.645 1.973 0.718 626 HB3 GLN 78 HB1 GLN 78 -15.210 1.389 0.170 627 HG2 GLN 78 HG2 GLN 78 -15.450 3.201 -1.082 628 HG3 GLN 78 HG1 GLN 78 -15.293 4.229 0.351 629 HE21 GLN 78 HE21 GLN 78 -12.742 3.387 1.062 630 HE22 GLN 78 HE22 GLN 78 -11.628 4.100 -0.057 631 H TRP 79 HN TRP 79 -13.199 2.082 3.437 632 HA TRP 79 HA TRP 79 -13.386 -0.709 4.023 633 HB2 TRP 79 HB2 TRP 79 -11.453 1.357 4.264 634 HB3 TRP 79 HB1 TRP 79 -11.716 0.696 5.876 635 HD1 TRP 79 HD1 TRP 79 -11.313 -0.890 2.375 636 HE1 TRP 79 HE1 TRP 79 -9.670 -2.830 2.592 637 HE3 TRP 79 HE3 TRP 79 -10.285 -0.510 7.354 638 HZ2 TRP 79 HZ2 TRP 79 -8.084 -4.054 4.625 639 HZ3 TRP 79 HZ3 TRP 79 -8.699 -2.097 8.362 640 HH2 TRP 79 HH2 TRP 79 -7.631 -3.830 7.024 641 H LYS 80 HN LYS 80 -15.093 1.856 4.967 642 HA LYS 80 HA LYS 80 -15.516 1.996 7.584 643 HB2 LYS 80 HB2 LYS 80 -17.254 2.115 5.258 644 HB3 LYS 80 HB1 LYS 80 -18.126 1.654 6.717 645 HG2 LYS 80 HG2 LYS 80 -17.380 3.657 7.834 646 HG3 LYS 80 HG1 LYS 80 -16.382 4.090 6.448 647 HD2 LYS 80 HD2 LYS 80 -18.444 5.383 6.454 648 HD3 LYS 80 HD1 LYS 80 -18.400 4.299 5.066 649 HE2 LYS 80 HE2 LYS 80 -19.770 3.461 7.592 650 HE3 LYS 80 HE1 LYS 80 -20.583 4.539 6.463 651 HZ1 LYS 80 HZ1 LYS 80 -19.554 1.821 5.841 652 HZ2 LYS 80 HZ2 LYS 80 -20.291 2.860 4.731 653 HZ3 LYS 80 HZ3 LYS 80 -21.175 2.252 6.038 654 HA PRO 81 HA PRO 81 -17.671 -2.209 8.207 655 HB2 PRO 81 HB2 PRO 81 -18.012 -3.930 6.172 656 HB3 PRO 81 HB1 PRO 81 -19.162 -2.630 6.499 657 HG2 PRO 81 HG2 PRO 81 -17.016 -2.786 4.430 658 HG3 PRO 81 HG1 PRO 81 -18.655 -2.123 4.301 659 HD2 PRO 81 HD2 PRO 81 -16.380 -0.612 4.681 660 HD3 PRO 81 HD1 PRO 81 -18.019 -0.093 5.117 661 HA PRO 82 HA PRO 82 -13.437 -3.844 8.453 662 HB2 PRO 82 HB2 PRO 82 -14.666 -5.342 10.691 663 HB3 PRO 82 HB1 PRO 82 -13.225 -4.322 10.680 664 HG2 PRO 82 HG2 PRO 82 -15.489 -3.495 11.833 665 HG3 PRO 82 HG1 PRO 82 -14.440 -2.370 10.948 666 HD2 PRO 82 HD2 PRO 82 -17.003 -3.655 10.081 667 HD3 PRO 82 HD1 PRO 82 -16.427 -1.995 9.817 668 H SER 83 HN SER 83 -12.785 -5.470 7.222 669 HA SER 83 HA SER 83 -14.028 -8.066 7.358 670 HB2 SER 83 HB2 SER 83 -15.422 -6.684 5.718 671 HB3 SER 83 HB1 SER 83 -13.999 -6.655 4.680 672 HG SER 83 HG SER 83 -14.616 -8.533 4.006 673 H GLN 84 HN GLN 84 -11.576 -7.278 8.124 674 HA GLN 84 HA GLN 84 -9.755 -8.062 5.955 675 HB2 GLN 84 HB2 GLN 84 -7.993 -6.963 7.321 676 HB3 GLN 84 HB1 GLN 84 -9.252 -5.859 6.815 677 HG2 GLN 84 HG2 GLN 84 -10.263 -5.953 9.003 678 HG3 GLN 84 HG1 GLN 84 -9.049 -7.118 9.530 679 HE21 GLN 84 HE21 GLN 84 -9.729 -4.407 10.478 680 HE22 GLN 84 HE22 GLN 84 -8.262 -3.520 10.409 681 H ASP 85 HN ASP 85 -10.435 -8.448 9.390 682 HA ASP 85 HA ASP 85 -8.923 -10.946 9.387 683 HB2 ASP 85 HB2 ASP 85 -8.254 -9.406 11.137 684 HB3 ASP 85 HB1 ASP 85 -9.923 -9.246 11.674 685 H SER 86 HN SER 86 -12.016 -9.593 9.627 686 HA SER 86 HA SER 86 -13.386 -11.835 10.716 687 HB2 SER 86 HB2 SER 86 -14.291 -9.505 10.772 688 HB3 SER 86 HB1 SER 86 -14.509 -9.584 9.025 689 HG SER 86 HG SER 86 -16.441 -10.180 9.835 690 H ALA 87 HN ALA 87 -12.447 -10.763 7.532 691 HA ALA 87 HA ALA 87 -13.973 -12.713 6.095 692 HB1 ALA 87 HB1 ALA 87 -12.695 -11.988 4.153 693 HB2 ALA 87 HB2 ALA 87 -11.590 -11.094 5.198 694 HB3 ALA 87 HB3 ALA 87 -13.275 -10.595 5.065 695 H THR 88 HN THR 88 -11.954 -13.377 8.266 696 HA THR 88 HA THR 88 -10.903 -15.750 6.954 697 HB THR 88 HB THR 88 -9.136 -14.008 8.696 698 HG1 THR 88 HG1 THR 88 -9.824 -13.798 6.058 699 HG21 THR 88 HG21 THR 88 -8.495 -16.378 8.614 700 HG22 THR 88 HG22 THR 88 -7.320 -15.385 7.750 701 HG23 THR 88 HG23 THR 88 -8.509 -16.328 6.851 702 H LEU 89 HN LEU 89 -13.034 -14.934 8.837 703 HA LEU 89 HA LEU 89 -12.586 -16.797 10.970 704 HB2 LEU 89 HB2 LEU 89 -11.355 -14.700 11.667 705 HB3 LEU 89 HB1 LEU 89 -12.905 -13.888 11.709 706 HG LEU 89 HG LEU 89 -13.647 -15.533 13.442 707 HD11 LEU 89 HD11 LEU 89 -10.737 -16.316 13.410 708 HD12 LEU 89 HD12 LEU 89 -12.095 -17.333 12.930 709 HD13 LEU 89 HD13 LEU 89 -11.927 -16.821 14.608 710 HD21 LEU 89 HD21 LEU 89 -12.403 -14.480 15.255 711 HD22 LEU 89 HD22 LEU 89 -12.855 -13.298 14.028 712 HD23 LEU 89 HD23 LEU 89 -11.200 -13.900 14.102 713 H THR 90 HN THR 90 -14.534 -15.651 8.761 714 HA THR 90 HA THR 90 -16.930 -15.400 10.427 715 HB THR 90 HB THR 90 -16.632 -15.129 7.432 716 HG1 THR 90 HG1 THR 90 -15.732 -13.437 8.873 717 HG21 THR 90 HG21 THR 90 -18.910 -14.221 7.467 718 HG22 THR 90 HG22 THR 90 -19.020 -14.562 9.193 719 HG23 THR 90 HG23 THR 90 -18.880 -15.889 8.041 720 H LYS 91 HN LYS 91 -15.477 -17.440 8.069 721 HA LYS 91 HA LYS 91 -16.960 -19.750 8.921 722 HB2 LYS 91 HB2 LYS 91 -18.055 -20.277 6.842 723 HB3 LYS 91 HB1 LYS 91 -18.560 -18.666 7.313 724 HG2 LYS 91 HG2 LYS 91 -16.404 -19.227 5.286 725 HG3 LYS 91 HG1 LYS 91 -18.098 -18.953 4.881 726 HD2 LYS 91 HD2 LYS 91 -17.950 -16.726 5.948 727 HD3 LYS 91 HD1 LYS 91 -16.235 -17.011 6.247 728 HE2 LYS 91 HE2 LYS 91 -16.553 -15.652 4.252 729 HE3 LYS 91 HE1 LYS 91 -15.850 -17.214 3.841 730 HZ1 LYS 91 HZ1 LYS 91 -18.026 -17.980 3.148 731 HZ2 LYS 91 HZ2 LYS 91 -17.605 -16.580 2.305 732 HZ3 LYS 91 HZ3 LYS 91 -18.720 -16.496 3.574 733 H ASP 92 HN ASP 92 -14.317 -18.609 8.641 734 HA ASP 92 HA ASP 92 -13.083 -20.163 6.483 735 HB2 ASP 92 HB2 ASP 92 -11.811 -17.926 8.056 736 HB3 ASP 92 HB1 ASP 92 -11.349 -18.543 6.471 737 H ALA 93 HN ALA 93 -13.617 -20.245 9.737 738 HA ALA 93 HA ALA 93 -12.890 -21.529 11.446 739 HB1 ALA 93 HB1 ALA 93 -11.597 -23.527 11.002 740 HB2 ALA 93 HB2 ALA 93 -11.203 -22.939 9.387 741 HB3 ALA 93 HB3 ALA 93 -12.871 -23.339 9.796 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 20.688 -4.197 0.317 2 H2 MET 1 HT2 MET 1 21.698 -5.536 0.516 3 H3 MET 1 HT3 MET 1 21.321 -4.558 1.842 4 HA MET 1 HA MET 1 19.372 -6.169 0.311 5 HB2 MET 1 HB2 MET 1 20.640 -6.655 3.012 6 HB3 MET 1 HB1 MET 1 19.261 -7.550 2.389 7 HG2 MET 1 HG2 MET 1 22.019 -7.465 1.188 8 HG3 MET 1 HG1 MET 1 21.310 -8.801 2.096 9 HE1 MET 1 HE1 MET 1 21.914 -10.478 0.136 10 HE2 MET 1 HE2 MET 1 22.635 -9.150 -0.773 11 HE3 MET 1 HE3 MET 1 21.465 -10.217 -1.549 12 H VAL 2 HN VAL 2 17.532 -5.077 0.332 13 HA VAL 2 HA VAL 2 16.852 -3.462 2.669 14 HB VAL 2 HB VAL 2 16.692 -2.302 0.524 15 HG11 VAL 2 HG11 VAL 2 16.260 -4.222 -0.915 16 HG12 VAL 2 HG12 VAL 2 15.063 -2.952 -1.166 17 HG13 VAL 2 HG13 VAL 2 14.647 -4.382 -0.222 18 HG21 VAL 2 HG21 VAL 2 15.143 -1.655 2.284 19 HG22 VAL 2 HG22 VAL 2 13.982 -2.859 1.720 20 HG23 VAL 2 HG23 VAL 2 14.393 -1.482 0.697 21 H THR 3 HN THR 3 15.120 -3.929 3.916 22 HA THR 3 HA THR 3 13.926 -6.567 3.448 23 HB THR 3 HB THR 3 13.466 -6.570 5.890 24 HG1 THR 3 HG1 THR 3 15.232 -4.405 6.212 25 HG21 THR 3 HG21 THR 3 16.357 -6.102 5.147 26 HG22 THR 3 HG22 THR 3 15.493 -7.636 5.047 27 HG23 THR 3 HG23 THR 3 15.789 -6.892 6.619 28 H LYS 4 HN LYS 4 11.746 -6.891 3.958 29 HA LYS 4 HA LYS 4 9.942 -4.760 3.378 30 HB2 LYS 4 HB2 LYS 4 8.617 -6.521 2.929 31 HB3 LYS 4 HB1 LYS 4 9.796 -7.611 3.638 32 HG2 LYS 4 HG2 LYS 4 8.773 -7.334 5.826 33 HG3 LYS 4 HG1 LYS 4 7.619 -6.178 5.159 34 HD2 LYS 4 HD2 LYS 4 6.677 -7.915 3.738 35 HD3 LYS 4 HD1 LYS 4 7.882 -9.067 4.314 36 HE2 LYS 4 HE2 LYS 4 5.926 -9.551 5.530 37 HE3 LYS 4 HE1 LYS 4 6.957 -8.655 6.641 38 HZ1 LYS 4 HZ1 LYS 4 4.697 -7.875 6.778 39 HZ2 LYS 4 HZ2 LYS 4 4.647 -7.562 5.120 40 HZ3 LYS 4 HZ3 LYS 4 5.657 -6.646 6.124 41 H GLU 5 HN GLU 5 11.693 -5.677 6.025 42 HA GLU 5 HA GLU 5 9.789 -5.225 8.101 43 HB2 GLU 5 HB2 GLU 5 12.776 -5.573 8.110 44 HB3 GLU 5 HB1 GLU 5 11.811 -5.421 9.576 45 HG2 GLU 5 HG2 GLU 5 10.565 -7.447 8.906 46 HG3 GLU 5 HG1 GLU 5 11.636 -7.606 7.514 47 H GLN 6 HN GLN 6 12.340 -3.434 6.566 48 HA GLN 6 HA GLN 6 11.959 -1.143 8.251 49 HB2 GLN 6 HB2 GLN 6 13.427 0.024 6.677 50 HB3 GLN 6 HB1 GLN 6 14.135 -1.493 7.203 51 HG2 GLN 6 HG2 GLN 6 14.544 -1.836 5.048 52 HG3 GLN 6 HG1 GLN 6 12.824 -2.219 4.917 53 HE21 GLN 6 HE21 GLN 6 11.411 -0.616 4.105 54 HE22 GLN 6 HE22 GLN 6 12.000 0.706 3.155 55 H VAL 7 HN VAL 7 10.547 -2.481 5.423 56 HA VAL 7 HA VAL 7 9.405 -0.075 4.341 57 HB VAL 7 HB VAL 7 8.780 -3.011 3.935 58 HG11 VAL 7 HG11 VAL 7 6.750 -1.686 3.613 59 HG12 VAL 7 HG12 VAL 7 7.333 -2.382 2.102 60 HG13 VAL 7 HG13 VAL 7 7.604 -0.675 2.448 61 HG21 VAL 7 HG21 VAL 7 10.101 -0.965 2.158 62 HG22 VAL 7 HG22 VAL 7 9.752 -2.635 1.715 63 HG23 VAL 7 HG23 VAL 7 10.902 -2.289 3.007 64 H GLU 8 HN GLU 8 8.561 -2.582 6.494 65 HA GLU 8 HA GLU 8 5.910 -2.200 7.091 66 HB2 GLU 8 HB2 GLU 8 8.346 -3.120 8.540 67 HB3 GLU 8 HB1 GLU 8 6.830 -2.973 9.426 68 HG2 GLU 8 HG2 GLU 8 7.370 -4.712 7.025 69 HG3 GLU 8 HG1 GLU 8 7.193 -5.255 8.690 70 H ALA 9 HN ALA 9 8.787 -0.744 8.552 71 HA ALA 9 HA ALA 9 7.194 0.846 10.360 72 HB1 ALA 9 HB1 ALA 9 9.296 -0.139 11.125 73 HB2 ALA 9 HB2 ALA 9 9.347 1.621 11.221 74 HB3 ALA 9 HB3 ALA 9 10.176 0.783 9.909 75 H SER 10 HN SER 10 8.673 1.110 7.281 76 HA SER 10 HA SER 10 9.036 3.971 7.358 77 HB2 SER 10 HB2 SER 10 9.034 2.015 5.057 78 HB3 SER 10 HB1 SER 10 9.290 3.746 4.845 79 HG SER 10 HG SER 10 11.300 3.065 5.121 80 H LEU 11 HN LEU 11 6.697 1.895 5.646 81 HA LEU 11 HA LEU 11 5.210 4.117 4.688 82 HB2 LEU 11 HB2 LEU 11 4.732 1.168 4.773 83 HB3 LEU 11 HB1 LEU 11 3.440 2.250 4.292 84 HG LEU 11 HG LEU 11 4.903 3.117 2.474 85 HD11 LEU 11 HD11 LEU 11 6.734 0.900 3.367 86 HD12 LEU 11 HD12 LEU 11 7.080 2.630 3.373 87 HD13 LEU 11 HD13 LEU 11 6.877 1.777 1.843 88 HD21 LEU 11 HD21 LEU 11 4.637 1.211 1.020 89 HD22 LEU 11 HD22 LEU 11 3.241 1.348 2.088 90 HD23 LEU 11 HD23 LEU 11 4.483 0.137 2.408 91 H THR 12 HN THR 12 4.898 2.044 7.516 92 HA THR 12 HA THR 12 2.376 2.897 8.377 93 HB THR 12 HB THR 12 4.763 2.025 10.019 94 HG1 THR 12 HG1 THR 12 4.261 0.213 9.031 95 HG21 THR 12 HG21 THR 12 3.050 3.219 11.365 96 HG22 THR 12 HG22 THR 12 3.206 1.515 11.793 97 HG23 THR 12 HG23 THR 12 1.851 2.055 10.803 98 H SER 13 HN SER 13 5.455 4.489 8.459 99 HA SER 13 HA SER 13 4.560 6.485 10.391 100 HB2 SER 13 HB2 SER 13 7.183 6.217 8.923 101 HB3 SER 13 HB1 SER 13 6.855 7.321 10.259 102 HG SER 13 HG SER 13 7.238 4.548 10.275 103 H LYS 14 HN LYS 14 5.254 6.139 6.984 104 HA LYS 14 HA LYS 14 5.239 9.019 6.540 105 HB2 LYS 14 HB2 LYS 14 5.771 6.673 4.714 106 HB3 LYS 14 HB1 LYS 14 5.874 8.356 4.216 107 HG2 LYS 14 HG2 LYS 14 7.748 8.756 5.577 108 HG3 LYS 14 HG1 LYS 14 7.506 7.264 6.487 109 HD2 LYS 14 HD2 LYS 14 9.380 7.092 4.904 110 HD3 LYS 14 HD1 LYS 14 8.092 5.947 4.534 111 HE2 LYS 14 HE2 LYS 14 7.272 7.418 2.775 112 HE3 LYS 14 HE1 LYS 14 8.518 8.601 3.167 113 HZ1 LYS 14 HZ1 LYS 14 9.013 7.123 1.226 114 HZ2 LYS 14 HZ2 LYS 14 9.144 5.826 2.320 115 HZ3 LYS 14 HZ3 LYS 14 10.198 7.143 2.432 116 H LEU 15 HN LEU 15 3.204 6.332 6.354 117 HA LEU 15 HA LEU 15 1.372 7.707 4.518 118 HB2 LEU 15 HB2 LEU 15 2.421 5.855 3.424 119 HB3 LEU 15 HB1 LEU 15 2.148 4.804 4.795 120 HG LEU 15 HG LEU 15 0.751 4.361 2.758 121 HD11 LEU 15 HD11 LEU 15 0.037 3.338 4.703 122 HD12 LEU 15 HD12 LEU 15 -1.396 4.226 4.161 123 HD13 LEU 15 HD13 LEU 15 -0.387 4.871 5.462 124 HD21 LEU 15 HD21 LEU 15 -1.200 5.771 2.373 125 HD22 LEU 15 HD22 LEU 15 0.294 6.677 2.130 126 HD23 LEU 15 HD23 LEU 15 -0.640 6.898 3.609 127 H LYS 16 HN LYS 16 1.879 6.294 7.557 128 HA LYS 16 HA LYS 16 0.672 6.687 9.459 129 HB2 LYS 16 HB2 LYS 16 -1.760 6.945 7.692 130 HB3 LYS 16 HB1 LYS 16 -1.780 7.066 9.446 131 HG2 LYS 16 HG2 LYS 16 -0.277 8.993 9.320 132 HG3 LYS 16 HG1 LYS 16 -0.294 8.877 7.560 133 HD2 LYS 16 HD2 LYS 16 -2.756 9.196 7.622 134 HD3 LYS 16 HD1 LYS 16 -2.641 9.448 9.365 135 HE2 LYS 16 HE2 LYS 16 -1.389 11.114 7.194 136 HE3 LYS 16 HE1 LYS 16 -2.701 11.586 8.271 137 HZ1 LYS 16 HZ1 LYS 16 -0.605 12.521 8.990 138 HZ2 LYS 16 HZ2 LYS 16 0.088 10.986 9.092 139 HZ3 LYS 16 HZ3 LYS 16 -1.167 11.416 10.138 140 HA PRO 17 HA PRO 17 -0.076 2.468 10.147 141 HB2 PRO 17 HB2 PRO 17 -0.745 2.530 12.745 142 HB3 PRO 17 HB1 PRO 17 0.875 2.968 12.194 143 HG2 PRO 17 HG2 PRO 17 -1.396 4.734 12.990 144 HG3 PRO 17 HG1 PRO 17 0.333 4.905 13.338 145 HD2 PRO 17 HD2 PRO 17 -1.001 6.257 11.343 146 HD3 PRO 17 HD1 PRO 17 0.743 5.944 11.352 147 H ILE 18 HN ILE 18 -2.171 3.037 8.666 148 HA ILE 18 HA ILE 18 -4.568 2.447 10.249 149 HB ILE 18 HB ILE 18 -4.483 2.835 7.273 150 HG12 ILE 18 HG12 ILE 18 -3.441 4.803 8.347 151 HG13 ILE 18 HG11 ILE 18 -4.992 5.204 7.627 152 HG21 ILE 18 HG21 ILE 18 -6.522 1.865 8.174 153 HG22 ILE 18 HG22 ILE 18 -6.832 3.508 7.610 154 HG23 ILE 18 HG23 ILE 18 -6.664 3.185 9.336 155 HD11 ILE 18 HD11 ILE 18 -4.732 6.292 9.769 156 HD12 ILE 18 HD12 ILE 18 -4.461 4.735 10.551 157 HD13 ILE 18 HD13 ILE 18 -6.033 5.104 9.844 158 H HIS 19 HN HIS 19 -3.765 1.298 6.965 159 HA HIS 19 HA HIS 19 -3.515 -1.419 7.990 160 HB2 HIS 19 HB2 HIS 19 -5.885 -1.282 7.405 161 HB3 HIS 19 HB1 HIS 19 -5.474 -0.657 5.817 162 HD1 HIS 19 HD1 HIS 19 -5.712 -3.820 7.761 163 HD2 HIS 19 HD2 HIS 19 -4.517 -2.587 3.973 164 HE1 HIS 19 HE1 HIS 19 -5.617 -5.904 6.367 165 HE2 HIS 19 HE2 HIS 19 -4.655 -5.170 4.148 166 H LEU 20 HN LEU 20 -1.453 -1.525 7.437 167 HA LEU 20 HA LEU 20 -0.831 -1.386 4.570 168 HB2 LEU 20 HB2 LEU 20 0.494 0.213 5.844 169 HB3 LEU 20 HB1 LEU 20 0.970 -1.041 6.975 170 HG LEU 20 HG LEU 20 2.078 -2.213 5.023 171 HD11 LEU 20 HD11 LEU 20 2.669 -0.831 3.104 172 HD12 LEU 20 HD12 LEU 20 1.668 0.478 3.733 173 HD13 LEU 20 HD13 LEU 20 0.923 -1.039 3.233 174 HD21 LEU 20 HD21 LEU 20 4.072 -0.802 5.148 175 HD22 LEU 20 HD22 LEU 20 3.337 -1.037 6.734 176 HD23 LEU 20 HD23 LEU 20 3.112 0.486 5.875 177 H GLU 21 HN GLU 21 -0.057 -3.182 3.668 178 HA GLU 21 HA GLU 21 0.960 -5.383 5.259 179 HB2 GLU 21 HB2 GLU 21 -1.464 -5.573 3.472 180 HB3 GLU 21 HB1 GLU 21 -0.490 -6.979 3.873 181 HG2 GLU 21 HG2 GLU 21 -1.741 -5.213 5.949 182 HG3 GLU 21 HG1 GLU 21 -2.556 -6.618 5.261 183 H VAL 22 HN VAL 22 2.945 -5.200 4.331 184 HA VAL 22 HA VAL 22 3.089 -5.322 1.413 185 HB VAL 22 HB VAL 22 5.338 -4.596 1.544 186 HG11 VAL 22 HG11 VAL 22 5.130 -2.463 2.651 187 HG12 VAL 22 HG12 VAL 22 3.843 -3.082 3.686 188 HG13 VAL 22 HG13 VAL 22 3.566 -2.892 1.958 189 HG21 VAL 22 HG21 VAL 22 6.116 -5.973 3.389 190 HG22 VAL 22 HG22 VAL 22 5.191 -4.997 4.531 191 HG23 VAL 22 HG23 VAL 22 6.548 -4.285 3.657 192 H ILE 23 HN ILE 23 4.221 -6.974 0.358 193 HA ILE 23 HA ILE 23 4.665 -9.351 2.008 194 HB ILE 23 HB ILE 23 3.440 -9.421 -0.736 195 HG12 ILE 23 HG12 ILE 23 1.952 -8.223 0.848 196 HG13 ILE 23 HG11 ILE 23 1.260 -9.742 0.285 197 HG21 ILE 23 HG21 ILE 23 4.570 -11.454 -0.031 198 HG22 ILE 23 HG22 ILE 23 2.827 -11.706 -0.116 199 HG23 ILE 23 HG23 ILE 23 3.611 -11.488 1.449 200 HD11 ILE 23 HD11 ILE 23 2.566 -9.238 2.950 201 HD12 ILE 23 HD12 ILE 23 1.949 -10.794 2.398 202 HD13 ILE 23 HD13 ILE 23 0.841 -9.443 2.641 203 H ASP 24 HN ASP 24 6.802 -9.329 1.904 204 HA ASP 24 HA ASP 24 8.465 -9.024 -0.314 205 HB2 ASP 24 HB2 ASP 24 9.413 -9.192 1.924 206 HB3 ASP 24 HB1 ASP 24 8.859 -10.859 2.056 207 H ILE 25 HN ILE 25 8.159 -9.950 -2.172 208 HA ILE 25 HA ILE 25 7.529 -12.821 -2.247 209 HB ILE 25 HB ILE 25 6.694 -12.342 -4.544 210 HG12 ILE 25 HG12 ILE 25 7.161 -9.479 -3.706 211 HG13 ILE 25 HG11 ILE 25 8.042 -10.342 -4.963 212 HG21 ILE 25 HG21 ILE 25 4.622 -11.247 -3.841 213 HG22 ILE 25 HG22 ILE 25 5.404 -10.746 -2.342 214 HG23 ILE 25 HG23 ILE 25 5.146 -12.459 -2.671 215 HD11 ILE 25 HD11 ILE 25 6.383 -8.828 -5.878 216 HD12 ILE 25 HD12 ILE 25 5.115 -9.692 -5.011 217 HD13 ILE 25 HD13 ILE 25 6.024 -10.505 -6.284 218 H SER 26 HN SER 26 10.183 -11.126 -2.205 219 HA SER 26 HA SER 26 11.487 -12.725 -4.261 220 HB2 SER 26 HB2 SER 26 12.766 -10.525 -4.910 221 HB3 SER 26 HB1 SER 26 11.197 -10.886 -5.632 222 HG SER 26 HG SER 26 10.235 -9.477 -4.213 223 H GLY 27 HN GLY 27 12.703 -9.869 -2.511 224 HA2 GLY 27 HA2 GLY 27 13.863 -11.047 -0.335 225 HA3 GLY 27 HA1 GLY 27 14.997 -11.343 -1.641 226 H GLY 28 HN GLY 28 16.455 -9.818 -2.088 227 HA2 GLY 28 HA2 GLY 28 16.073 -7.185 -0.792 228 HA3 GLY 28 HA1 GLY 28 17.615 -8.026 -0.811 229 H CYS 29 HN CYS 29 17.670 -8.872 -3.462 230 HA CYS 29 HA CYS 29 18.305 -6.336 -4.752 231 HB2 CYS 29 HB2 CYS 29 18.833 -9.163 -5.692 232 HB3 CYS 29 HB1 CYS 29 19.520 -7.691 -6.372 233 HG CYS 29 HG CYS 29 20.097 -8.559 -3.124 234 H GLY 30 HN GLY 30 16.182 -9.062 -4.988 235 HA2 GLY 30 HA2 GLY 30 14.948 -8.130 -7.440 236 HA3 GLY 30 HA1 GLY 30 14.513 -9.573 -6.527 237 H SER 31 HN SER 31 14.843 -7.634 -4.178 238 HA SER 31 HA SER 31 12.531 -7.786 -3.004 239 HB2 SER 31 HB2 SER 31 14.450 -6.651 -2.041 240 HB3 SER 31 HB1 SER 31 14.198 -5.266 -3.095 241 HG SER 31 HG SER 31 12.885 -6.013 -0.786 242 H SER 32 HN SER 32 10.659 -7.664 -3.750 243 HA SER 32 HA SER 32 9.572 -5.094 -4.622 244 HB2 SER 32 HB2 SER 32 8.898 -7.738 -5.952 245 HB3 SER 32 HB1 SER 32 8.248 -6.156 -6.375 246 HG SER 32 HG SER 32 11.026 -6.707 -6.462 247 H PHE 33 HN PHE 33 7.643 -4.674 -3.621 248 HA PHE 33 HA PHE 33 6.547 -6.881 -2.011 249 HB2 PHE 33 HB2 PHE 33 6.698 -3.993 -1.141 250 HB3 PHE 33 HB1 PHE 33 6.131 -5.357 -0.187 251 HD1 PHE 33 HD2 PHE 33 7.933 -7.355 -0.208 252 HD2 PHE 33 HD1 PHE 33 8.798 -3.220 -0.559 253 HE1 PHE 33 HE2 PHE 33 10.221 -7.779 0.595 254 HE2 PHE 33 HE1 PHE 33 11.087 -3.626 0.247 255 HZ PHE 33 HZ PHE 33 11.795 -5.909 0.826 256 H GLU 34 HN GLU 34 4.469 -7.227 -2.176 257 HA GLU 34 HA GLU 34 2.807 -5.400 -3.720 258 HB2 GLU 34 HB2 GLU 34 1.989 -7.998 -2.403 259 HB3 GLU 34 HB1 GLU 34 1.163 -7.152 -3.703 260 HG2 GLU 34 HG2 GLU 34 3.887 -8.396 -3.958 261 HG3 GLU 34 HG1 GLU 34 2.384 -9.193 -4.410 262 H VAL 35 HN VAL 35 2.077 -3.705 -2.548 263 HA VAL 35 HA VAL 35 1.666 -4.144 0.306 264 HB VAL 35 HB VAL 35 1.983 -1.829 0.620 265 HG11 VAL 35 HG11 VAL 35 4.190 -1.483 -0.246 266 HG12 VAL 35 HG12 VAL 35 3.903 -2.649 -1.538 267 HG13 VAL 35 HG13 VAL 35 3.991 -3.194 0.135 268 HG21 VAL 35 HG21 VAL 35 2.178 -0.193 -1.151 269 HG22 VAL 35 HG22 VAL 35 0.627 -1.022 -1.280 270 HG23 VAL 35 HG23 VAL 35 1.948 -1.448 -2.368 271 H GLU 36 HN GLU 36 -0.185 -3.738 1.367 272 HA GLU 36 HA GLU 36 -2.527 -2.866 -0.183 273 HB2 GLU 36 HB2 GLU 36 -2.501 -4.198 2.535 274 HB3 GLU 36 HB1 GLU 36 -3.912 -3.836 1.558 275 HG2 GLU 36 HG2 GLU 36 -3.063 -5.450 -0.135 276 HG3 GLU 36 HG1 GLU 36 -1.793 -5.891 1.006 277 H VAL 37 HN VAL 37 -3.081 -0.810 0.179 278 HA VAL 37 HA VAL 37 -2.321 0.352 2.762 279 HB VAL 37 HB VAL 37 -2.419 1.836 0.137 280 HG11 VAL 37 HG11 VAL 37 -1.423 2.658 2.851 281 HG12 VAL 37 HG12 VAL 37 -2.903 3.214 2.067 282 HG13 VAL 37 HG13 VAL 37 -1.330 3.631 1.383 283 HG21 VAL 37 HG21 VAL 37 -0.557 0.255 0.120 284 HG22 VAL 37 HG22 VAL 37 -0.004 0.877 1.674 285 HG23 VAL 37 HG23 VAL 37 0.032 1.912 0.247 286 H VAL 38 HN VAL 38 -3.931 1.079 3.865 287 HA VAL 38 HA VAL 38 -6.277 2.191 2.489 288 HB VAL 38 HB VAL 38 -6.335 0.734 5.141 289 HG11 VAL 38 HG11 VAL 38 -8.004 2.472 5.004 290 HG12 VAL 38 HG12 VAL 38 -8.770 0.885 4.921 291 HG13 VAL 38 HG13 VAL 38 -8.563 1.843 3.455 292 HG21 VAL 38 HG21 VAL 38 -7.329 -0.189 2.450 293 HG22 VAL 38 HG22 VAL 38 -7.583 -1.027 3.981 294 HG23 VAL 38 HG23 VAL 38 -5.951 -0.848 3.332 295 H SER 39 HN SER 39 -5.710 4.319 2.674 296 HA SER 39 HA SER 39 -5.533 5.393 5.364 297 HB2 SER 39 HB2 SER 39 -3.206 4.757 4.732 298 HB3 SER 39 HB1 SER 39 -3.307 5.897 3.390 299 HG SER 39 HG SER 39 -2.395 6.552 5.608 300 H GLU 40 HN GLU 40 -5.210 7.801 5.283 301 HA GLU 40 HA GLU 40 -7.483 8.877 4.001 302 HB2 GLU 40 HB2 GLU 40 -6.828 10.972 5.048 303 HB3 GLU 40 HB1 GLU 40 -6.658 9.630 6.168 304 HG2 GLU 40 HG2 GLU 40 -4.295 9.607 5.920 305 HG3 GLU 40 HG1 GLU 40 -4.373 10.775 4.601 306 H GLN 41 HN GLN 41 -4.711 8.142 2.543 307 HA GLN 41 HA GLN 41 -4.446 10.579 0.957 308 HB2 GLN 41 HB2 GLN 41 -2.918 7.997 1.103 309 HB3 GLN 41 HB1 GLN 41 -2.781 9.001 -0.331 310 HG2 GLN 41 HG2 GLN 41 -0.953 9.498 1.106 311 HG3 GLN 41 HG1 GLN 41 -2.044 10.877 1.109 312 HE21 GLN 41 HE21 GLN 41 -2.607 7.918 2.929 313 HE22 GLN 41 HE22 GLN 41 -2.402 8.626 4.486 314 H PHE 42 HN PHE 42 -6.418 8.111 1.177 315 HA PHE 42 HA PHE 42 -7.061 8.039 -1.687 316 HB2 PHE 42 HB2 PHE 42 -7.561 5.930 0.424 317 HB3 PHE 42 HB1 PHE 42 -7.933 5.779 -1.292 318 HD1 PHE 42 HD2 PHE 42 -5.327 7.097 -2.265 319 HD2 PHE 42 HD1 PHE 42 -6.126 4.063 0.609 320 HE1 PHE 42 HE2 PHE 42 -3.081 6.165 -2.633 321 HE2 PHE 42 HE1 PHE 42 -3.894 3.141 0.262 322 HZ PHE 42 HZ PHE 42 -2.361 4.182 -1.363 323 H GLU 43 HN GLU 43 -7.836 9.948 0.381 324 HA GLU 43 HA GLU 43 -10.417 9.080 1.425 325 HB2 GLU 43 HB2 GLU 43 -8.649 10.373 2.741 326 HB3 GLU 43 HB1 GLU 43 -9.129 11.778 1.808 327 HG2 GLU 43 HG2 GLU 43 -11.112 10.197 3.404 328 HG3 GLU 43 HG1 GLU 43 -10.135 11.468 4.130 329 H GLY 44 HN GLY 44 -12.133 9.222 0.190 330 HA2 GLY 44 HA2 GLY 44 -13.514 9.850 -1.542 331 HA3 GLY 44 HA1 GLY 44 -13.148 11.493 -1.037 332 H LYS 45 HN LYS 45 -10.640 9.380 -2.108 333 HA LYS 45 HA LYS 45 -10.075 11.180 -4.333 334 HB2 LYS 45 HB2 LYS 45 -8.411 8.952 -3.171 335 HB3 LYS 45 HB1 LYS 45 -7.870 10.173 -4.274 336 HG2 LYS 45 HG2 LYS 45 -8.816 10.797 -1.513 337 HG3 LYS 45 HG1 LYS 45 -7.127 10.532 -1.949 338 HD2 LYS 45 HD2 LYS 45 -7.326 12.386 -3.595 339 HD3 LYS 45 HD1 LYS 45 -8.953 12.691 -2.986 340 HE2 LYS 45 HE2 LYS 45 -8.090 13.188 -0.794 341 HE3 LYS 45 HE1 LYS 45 -6.459 12.750 -1.299 342 HZ1 LYS 45 HZ1 LYS 45 -6.768 15.142 -1.279 343 HZ2 LYS 45 HZ2 LYS 45 -8.049 15.013 -2.373 344 HZ3 LYS 45 HZ3 LYS 45 -6.484 14.594 -2.855 345 H ARG 46 HN ARG 46 -9.408 10.238 -6.378 346 HA ARG 46 HA ARG 46 -10.781 7.729 -6.926 347 HB2 ARG 46 HB2 ARG 46 -11.386 9.254 -8.527 348 HB3 ARG 46 HB1 ARG 46 -9.780 9.930 -8.691 349 HG2 ARG 46 HG2 ARG 46 -9.068 7.965 -9.900 350 HG3 ARG 46 HG1 ARG 46 -10.627 7.187 -9.608 351 HD2 ARG 46 HD2 ARG 46 -10.159 9.698 -11.211 352 HD3 ARG 46 HD1 ARG 46 -10.524 8.100 -11.863 353 HE ARG 46 HE ARG 46 -12.523 8.943 -10.024 354 HH11 ARG 46 HH11 ARG 46 -11.410 9.426 -13.310 355 HH12 ARG 46 HH12 ARG 46 -12.968 9.910 -13.897 356 HH21 ARG 46 HH21 ARG 46 -14.565 9.564 -10.789 357 HH22 ARG 46 HH22 ARG 46 -14.771 9.981 -12.460 358 H LEU 47 HN LEU 47 -9.850 6.004 -7.700 359 HA LEU 47 HA LEU 47 -7.629 4.976 -6.654 360 HB2 LEU 47 HB2 LEU 47 -8.975 4.402 -9.223 361 HB3 LEU 47 HB1 LEU 47 -7.422 3.644 -8.942 362 HG LEU 47 HG LEU 47 -9.267 2.165 -8.328 363 HD11 LEU 47 HD11 LEU 47 -7.146 1.974 -7.135 364 HD12 LEU 47 HD12 LEU 47 -8.512 1.555 -6.102 365 HD13 LEU 47 HD13 LEU 47 -7.720 3.119 -5.924 366 HD21 LEU 47 HD21 LEU 47 -10.928 3.829 -7.713 367 HD22 LEU 47 HD22 LEU 47 -9.974 4.281 -6.300 368 HD23 LEU 47 HD23 LEU 47 -10.690 2.671 -6.403 369 H LEU 48 HN LEU 48 -7.552 6.897 -9.592 370 HA LEU 48 HA LEU 48 -4.820 6.258 -10.192 371 HB2 LEU 48 HB2 LEU 48 -6.718 8.324 -11.292 372 HB3 LEU 48 HB1 LEU 48 -5.049 8.217 -11.813 373 HG LEU 48 HG LEU 48 -5.550 5.808 -12.469 374 HD11 LEU 48 HD11 LEU 48 -7.870 5.251 -12.921 375 HD12 LEU 48 HD12 LEU 48 -8.389 6.770 -12.191 376 HD13 LEU 48 HD13 LEU 48 -7.613 5.535 -11.200 377 HD21 LEU 48 HD21 LEU 48 -6.565 6.481 -14.595 378 HD22 LEU 48 HD22 LEU 48 -5.275 7.577 -14.102 379 HD23 LEU 48 HD23 LEU 48 -6.961 8.052 -13.899 380 H GLU 49 HN GLU 49 -6.504 9.096 -8.961 381 HA GLU 49 HA GLU 49 -4.230 10.670 -8.397 382 HB2 GLU 49 HB2 GLU 49 -6.628 10.883 -6.643 383 HB3 GLU 49 HB1 GLU 49 -5.704 12.154 -7.430 384 HG2 GLU 49 HG2 GLU 49 -7.667 10.314 -8.774 385 HG3 GLU 49 HG1 GLU 49 -7.975 11.988 -8.306 386 H ARG 50 HN ARG 50 -5.968 8.174 -6.769 387 HA ARG 50 HA ARG 50 -4.943 8.328 -4.179 388 HB2 ARG 50 HB2 ARG 50 -5.949 6.067 -5.900 389 HB3 ARG 50 HB1 ARG 50 -5.383 5.773 -4.249 390 HG2 ARG 50 HG2 ARG 50 -7.079 7.471 -3.499 391 HG3 ARG 50 HG1 ARG 50 -7.706 7.460 -5.146 392 HD2 ARG 50 HD2 ARG 50 -7.931 4.942 -4.874 393 HD3 ARG 50 HD1 ARG 50 -7.636 5.202 -3.161 394 HE ARG 50 HE ARG 50 -9.729 6.876 -4.128 395 HH11 ARG 50 HH11 ARG 50 -9.018 3.592 -3.152 396 HH12 ARG 50 HH12 ARG 50 -10.656 3.238 -2.694 397 HH21 ARG 50 HH21 ARG 50 -11.878 6.423 -3.546 398 HH22 ARG 50 HH22 ARG 50 -12.286 4.861 -2.901 399 H HIS 51 HN HIS 51 -3.847 6.382 -6.936 400 HA HIS 51 HA HIS 51 -1.582 5.324 -5.599 401 HB2 HIS 51 HB2 HIS 51 -2.132 5.583 -8.564 402 HB3 HIS 51 HB1 HIS 51 -0.824 4.635 -7.869 403 HD1 HIS 51 HD1 HIS 51 -3.603 3.820 -9.529 404 HD2 HIS 51 HD2 HIS 51 -2.513 2.991 -5.620 405 HE1 HIS 51 HE1 HIS 51 -4.911 1.789 -8.853 406 HE2 HIS 51 HE2 HIS 51 -4.097 1.204 -6.562 407 H ARG 52 HN ARG 52 -2.093 8.106 -7.643 408 HA ARG 52 HA ARG 52 0.618 8.753 -8.105 409 HB2 ARG 52 HB2 ARG 52 -1.419 9.586 -9.360 410 HB3 ARG 52 HB1 ARG 52 -1.727 10.656 -8.002 411 HG2 ARG 52 HG2 ARG 52 0.496 11.689 -8.379 412 HG3 ARG 52 HG1 ARG 52 0.669 10.686 -9.820 413 HD2 ARG 52 HD2 ARG 52 -1.350 12.849 -9.289 414 HD3 ARG 52 HD1 ARG 52 -0.139 12.782 -10.569 415 HE ARG 52 HE ARG 52 -1.456 10.861 -11.468 416 HH11 ARG 52 HH11 ARG 52 -2.974 13.330 -9.506 417 HH12 ARG 52 HH12 ARG 52 -4.579 12.978 -10.079 418 HH21 ARG 52 HH21 ARG 52 -3.555 10.412 -12.233 419 HH22 ARG 52 HH22 ARG 52 -4.909 11.319 -11.624 420 H MET 53 HN MET 53 -1.378 8.986 -5.365 421 HA MET 53 HA MET 53 0.091 11.275 -4.307 422 HB2 MET 53 HB2 MET 53 -2.427 11.134 -4.210 423 HB3 MET 53 HB1 MET 53 -2.239 9.830 -3.047 424 HG2 MET 53 HG2 MET 53 -2.674 11.976 -1.956 425 HG3 MET 53 HG1 MET 53 -1.111 11.300 -1.503 426 HE1 MET 53 HE1 MET 53 -0.412 15.144 -1.425 427 HE2 MET 53 HE2 MET 53 -0.322 13.626 -0.531 428 HE3 MET 53 HE3 MET 53 -1.893 14.316 -0.942 429 H VAL 54 HN VAL 54 -0.592 7.898 -3.695 430 HA VAL 54 HA VAL 54 0.830 7.737 -1.250 431 HB VAL 54 HB VAL 54 -0.788 6.061 -2.709 432 HG11 VAL 54 HG11 VAL 54 0.404 3.973 -3.052 433 HG12 VAL 54 HG12 VAL 54 1.918 4.756 -2.596 434 HG13 VAL 54 HG13 VAL 54 1.073 5.260 -4.061 435 HG21 VAL 54 HG21 VAL 54 -0.459 4.474 -0.824 436 HG22 VAL 54 HG22 VAL 54 -0.730 6.140 -0.313 437 HG23 VAL 54 HG23 VAL 54 0.899 5.464 -0.290 438 H ASN 55 HN ASN 55 1.666 7.193 -4.624 439 HA ASN 55 HA ASN 55 4.309 6.307 -3.933 440 HB2 ASN 55 HB2 ASN 55 4.711 5.941 -6.150 441 HB3 ASN 55 HB1 ASN 55 2.969 5.718 -6.099 442 HD21 ASN 55 HD21 ASN 55 2.285 8.456 -5.950 443 HD22 ASN 55 HD22 ASN 55 2.737 9.224 -7.429 444 H ALA 56 HN ALA 56 2.779 9.296 -4.288 445 HA ALA 56 HA ALA 56 4.992 10.872 -5.027 446 HB1 ALA 56 HB1 ALA 56 2.768 11.598 -3.113 447 HB2 ALA 56 HB2 ALA 56 2.713 11.786 -4.866 448 HB3 ALA 56 HB3 ALA 56 3.860 12.729 -3.913 449 H ALA 57 HN ALA 57 3.867 9.570 -1.994 450 HA ALA 57 HA ALA 57 6.035 10.805 -0.486 451 HB1 ALA 57 HB1 ALA 57 3.820 10.959 0.464 452 HB2 ALA 57 HB2 ALA 57 4.797 9.882 1.465 453 HB3 ALA 57 HB3 ALA 57 3.611 9.213 0.342 454 H LEU 58 HN LEU 58 5.764 8.225 -2.376 455 HA LEU 58 HA LEU 58 7.437 6.508 -0.711 456 HB2 LEU 58 HB2 LEU 58 4.856 5.880 -2.065 457 HB3 LEU 58 HB1 LEU 58 6.047 4.648 -1.808 458 HG LEU 58 HG LEU 58 4.691 6.276 0.335 459 HD11 LEU 58 HD11 LEU 58 3.616 4.181 0.958 460 HD12 LEU 58 HD12 LEU 58 4.412 3.362 -0.386 461 HD13 LEU 58 HD13 LEU 58 3.223 4.625 -0.703 462 HD21 LEU 58 HD21 LEU 58 6.972 5.717 0.981 463 HD22 LEU 58 HD22 LEU 58 6.676 4.021 0.598 464 HD23 LEU 58 HD23 LEU 58 5.806 4.792 1.924 465 H GLU 59 HN GLU 59 7.311 8.214 -3.376 466 HA GLU 59 HA GLU 59 8.064 6.347 -5.402 467 HB2 GLU 59 HB2 GLU 59 7.163 8.578 -6.015 468 HB3 GLU 59 HB1 GLU 59 8.608 9.332 -5.319 469 HG2 GLU 59 HG2 GLU 59 10.007 8.189 -6.964 470 HG3 GLU 59 HG1 GLU 59 8.576 7.426 -7.650 471 H GLU 60 HN GLU 60 9.694 8.188 -2.993 472 HA GLU 60 HA GLU 60 12.338 7.676 -3.964 473 HB2 GLU 60 HB2 GLU 60 12.819 8.476 -1.487 474 HB3 GLU 60 HB1 GLU 60 12.323 9.602 -2.736 475 HG2 GLU 60 HG2 GLU 60 11.085 10.152 -0.809 476 HG3 GLU 60 HG1 GLU 60 9.960 9.353 -1.911 477 H GLU 61 HN GLU 61 10.083 6.295 -1.735 478 HA GLU 61 HA GLU 61 11.681 4.304 -0.590 479 HB2 GLU 61 HB2 GLU 61 9.242 5.119 -0.108 480 HB3 GLU 61 HB1 GLU 61 8.796 3.888 -1.280 481 HG2 GLU 61 HG2 GLU 61 8.594 2.912 0.870 482 HG3 GLU 61 HG1 GLU 61 10.026 2.216 0.114 483 H MET 62 HN MET 62 9.722 4.441 -3.506 484 HA MET 62 HA MET 62 9.983 1.819 -4.418 485 HB2 MET 62 HB2 MET 62 8.433 3.482 -5.378 486 HB3 MET 62 HB1 MET 62 9.798 4.367 -6.041 487 HG2 MET 62 HG2 MET 62 8.968 3.166 -7.844 488 HG3 MET 62 HG1 MET 62 10.349 2.218 -7.302 489 HE1 MET 62 HE1 MET 62 6.478 2.554 -7.406 490 HE2 MET 62 HE2 MET 62 6.739 2.450 -5.665 491 HE3 MET 62 HE3 MET 62 5.937 1.131 -6.516 492 H LYS 63 HN LYS 63 12.127 4.559 -4.687 493 HA LYS 63 HA LYS 63 13.881 3.396 -6.612 494 HB2 LYS 63 HB2 LYS 63 14.506 5.631 -4.678 495 HB3 LYS 63 HB1 LYS 63 15.294 5.301 -6.215 496 HG2 LYS 63 HG2 LYS 63 13.288 5.899 -7.417 497 HG3 LYS 63 HG1 LYS 63 12.414 6.123 -5.901 498 HD2 LYS 63 HD2 LYS 63 14.162 7.876 -5.329 499 HD3 LYS 63 HD1 LYS 63 14.669 7.773 -7.015 500 HE2 LYS 63 HE2 LYS 63 11.926 8.521 -6.008 501 HE3 LYS 63 HE1 LYS 63 13.118 9.616 -6.703 502 HZ1 LYS 63 HZ1 LYS 63 11.446 9.011 -8.322 503 HZ2 LYS 63 HZ2 LYS 63 11.793 7.369 -8.121 504 HZ3 LYS 63 HZ3 LYS 63 12.953 8.400 -8.789 505 H GLU 64 HN GLU 64 13.409 2.934 -3.284 506 HA GLU 64 HA GLU 64 16.180 2.246 -2.718 507 HB2 GLU 64 HB2 GLU 64 14.646 3.442 -1.078 508 HB3 GLU 64 HB1 GLU 64 13.806 1.909 -0.890 509 HG2 GLU 64 HG2 GLU 64 15.373 2.211 0.907 510 HG3 GLU 64 HG1 GLU 64 15.900 0.879 -0.122 511 H ILE 65 HN ILE 65 13.124 0.757 -3.303 512 HA ILE 65 HA ILE 65 14.357 -1.909 -3.138 513 HB ILE 65 HB ILE 65 12.137 -2.862 -3.130 514 HG12 ILE 65 HG12 ILE 65 11.395 -0.468 -4.347 515 HG13 ILE 65 HG11 ILE 65 10.325 -1.794 -3.906 516 HG21 ILE 65 HG21 ILE 65 13.025 -2.291 -0.977 517 HG22 ILE 65 HG22 ILE 65 11.294 -1.951 -0.980 518 HG23 ILE 65 HG23 ILE 65 12.453 -0.630 -1.131 519 HD11 ILE 65 HD11 ILE 65 10.930 0.677 -2.305 520 HD12 ILE 65 HD12 ILE 65 10.014 -0.696 -1.691 521 HD13 ILE 65 HD13 ILE 65 9.402 0.228 -3.062 522 H HIS 66 HN HIS 66 12.696 -3.272 -4.890 523 HA HIS 66 HA HIS 66 13.569 -2.098 -7.432 524 HB2 HIS 66 HB2 HIS 66 14.217 -4.459 -6.874 525 HB3 HIS 66 HB1 HIS 66 12.512 -4.887 -6.982 526 HD1 HIS 66 HD1 HIS 66 14.791 -2.854 -9.242 527 HD2 HIS 66 HD2 HIS 66 12.131 -6.022 -9.404 528 HE1 HIS 66 HE1 HIS 66 14.606 -3.477 -11.648 529 HE2 HIS 66 HE2 HIS 66 13.161 -5.518 -11.707 530 H ALA 67 HN ALA 67 10.722 -2.800 -5.609 531 HA ALA 67 HA ALA 67 8.998 -1.443 -7.359 532 HB1 ALA 67 HB1 ALA 67 7.654 -3.286 -8.222 533 HB2 ALA 67 HB2 ALA 67 8.765 -4.447 -7.498 534 HB3 ALA 67 HB3 ALA 67 9.316 -3.392 -8.799 535 H LEU 68 HN LEU 68 7.310 -0.803 -6.229 536 HA LEU 68 HA LEU 68 6.320 -2.478 -4.013 537 HB2 LEU 68 HB2 LEU 68 7.352 0.051 -3.769 538 HB3 LEU 68 HB1 LEU 68 5.641 0.374 -3.995 539 HG LEU 68 HG LEU 68 5.135 -1.103 -2.074 540 HD11 LEU 68 HD11 LEU 68 8.104 -1.050 -1.603 541 HD12 LEU 68 HD12 LEU 68 7.211 -2.443 -2.202 542 HD13 LEU 68 HD13 LEU 68 6.881 -1.812 -0.589 543 HD21 LEU 68 HD21 LEU 68 5.244 1.297 -1.774 544 HD22 LEU 68 HD22 LEU 68 6.990 1.213 -1.542 545 HD23 LEU 68 HD23 LEU 68 5.907 0.481 -0.360 546 H SER 69 HN SER 69 4.605 -3.468 -4.973 547 HA SER 69 HA SER 69 2.957 -1.956 -6.840 548 HB2 SER 69 HB2 SER 69 2.616 -4.844 -6.025 549 HB3 SER 69 HB1 SER 69 2.038 -4.055 -7.492 550 HG SER 69 HG SER 69 4.378 -5.273 -7.044 551 H ILE 70 HN ILE 70 1.466 -0.704 -5.864 552 HA ILE 70 HA ILE 70 0.268 -1.547 -3.384 553 HB ILE 70 HB ILE 70 0.762 0.782 -3.524 554 HG12 ILE 70 HG12 ILE 70 -2.230 0.488 -3.839 555 HG13 ILE 70 HG11 ILE 70 -1.339 0.112 -2.368 556 HG21 ILE 70 HG21 ILE 70 0.813 1.068 -5.921 557 HG22 ILE 70 HG22 ILE 70 -0.236 2.280 -5.186 558 HG23 ILE 70 HG23 ILE 70 -0.940 0.885 -6.003 559 HD11 ILE 70 HD11 ILE 70 -0.661 2.420 -2.162 560 HD12 ILE 70 HD12 ILE 70 -2.417 2.300 -2.284 561 HD13 ILE 70 HD13 ILE 70 -1.469 2.813 -3.680 562 H LYS 71 HN LYS 71 -0.805 -3.337 -3.860 563 HA LYS 71 HA LYS 71 -2.490 -3.607 -6.149 564 HB2 LYS 71 HB2 LYS 71 -2.598 -5.379 -3.719 565 HB3 LYS 71 HB1 LYS 71 -2.889 -5.809 -5.399 566 HG2 LYS 71 HG2 LYS 71 -0.240 -5.038 -4.221 567 HG3 LYS 71 HG1 LYS 71 -0.763 -6.688 -4.574 568 HD2 LYS 71 HD2 LYS 71 -0.528 -4.498 -6.637 569 HD3 LYS 71 HD1 LYS 71 0.728 -5.692 -6.313 570 HE2 LYS 71 HE2 LYS 71 -2.085 -6.350 -7.173 571 HE3 LYS 71 HE1 LYS 71 -0.704 -6.252 -8.260 572 HZ1 LYS 71 HZ1 LYS 71 -1.114 -8.176 -6.044 573 HZ2 LYS 71 HZ2 LYS 71 0.361 -7.991 -6.852 574 HZ3 LYS 71 HZ3 LYS 71 -1.009 -8.515 -7.699 575 H LYS 72 HN LYS 72 -2.838 -2.472 -2.968 576 HA LYS 72 HA LYS 72 -5.709 -2.178 -3.376 577 HB2 LYS 72 HB2 LYS 72 -4.334 -3.325 -0.981 578 HB3 LYS 72 HB1 LYS 72 -5.896 -2.522 -0.829 579 HG2 LYS 72 HG2 LYS 72 -6.883 -4.019 -2.390 580 HG3 LYS 72 HG1 LYS 72 -5.326 -4.788 -2.715 581 HD2 LYS 72 HD2 LYS 72 -5.261 -5.344 -0.224 582 HD3 LYS 72 HD1 LYS 72 -6.972 -4.912 -0.200 583 HE2 LYS 72 HE2 LYS 72 -7.493 -6.621 -1.791 584 HE3 LYS 72 HE1 LYS 72 -5.786 -6.959 -2.065 585 HZ1 LYS 72 HZ1 LYS 72 -5.617 -7.700 0.246 586 HZ2 LYS 72 HZ2 LYS 72 -6.745 -8.614 -0.630 587 HZ3 LYS 72 HZ3 LYS 72 -7.280 -7.436 0.458 588 H ALA 73 HN ALA 73 -6.230 -0.295 -3.388 589 HA ALA 73 HA ALA 73 -5.027 1.648 -1.532 590 HB1 ALA 73 HB1 ALA 73 -5.757 2.190 -4.419 591 HB2 ALA 73 HB2 ALA 73 -4.120 2.092 -3.771 592 HB3 ALA 73 HB3 ALA 73 -5.196 3.392 -3.259 593 H GLN 74 HN GLN 74 -6.681 1.600 -0.125 594 HA GLN 74 HA GLN 74 -9.320 2.444 -1.107 595 HB2 GLN 74 HB2 GLN 74 -9.092 -0.092 -0.910 596 HB3 GLN 74 HB1 GLN 74 -8.968 0.150 0.824 597 HG2 GLN 74 HG2 GLN 74 -11.200 -0.488 0.254 598 HG3 GLN 74 HG1 GLN 74 -11.203 1.179 0.817 599 HE21 GLN 74 HE21 GLN 74 -13.070 -0.354 -0.856 600 HE22 GLN 74 HE22 GLN 74 -13.251 0.560 -2.314 601 H THR 75 HN THR 75 -10.717 3.241 0.621 602 HA THR 75 HA THR 75 -9.213 4.312 2.872 603 HB THR 75 HB THR 75 -11.601 5.745 2.562 604 HG1 THR 75 HG1 THR 75 -10.543 6.413 0.245 605 HG21 THR 75 HG21 THR 75 -8.876 6.674 1.704 606 HG22 THR 75 HG22 THR 75 -9.279 6.425 3.399 607 HG23 THR 75 HG23 THR 75 -10.175 7.603 2.449 608 HA PRO 76 HA PRO 76 -11.561 2.178 5.901 609 HB2 PRO 76 HB2 PRO 76 -11.677 4.792 7.311 610 HB3 PRO 76 HB1 PRO 76 -11.121 3.221 7.893 611 HG2 PRO 76 HG2 PRO 76 -9.364 5.101 7.273 612 HG3 PRO 76 HG1 PRO 76 -9.061 3.408 6.831 613 HD2 PRO 76 HD2 PRO 76 -9.993 5.677 5.120 614 HD3 PRO 76 HD1 PRO 76 -8.839 4.384 4.744 615 H GLN 77 HN GLN 77 -12.859 4.782 4.178 616 HA GLN 77 HA GLN 77 -15.398 4.829 5.540 617 HB2 GLN 77 HB2 GLN 77 -15.585 6.051 3.005 618 HB3 GLN 77 HB1 GLN 77 -15.566 6.838 4.571 619 HG2 GLN 77 HG2 GLN 77 -13.667 7.822 3.917 620 HG3 GLN 77 HG1 GLN 77 -12.926 6.218 3.975 621 HE21 GLN 77 HE21 GLN 77 -14.112 4.956 2.057 622 HE22 GLN 77 HE22 GLN 77 -13.608 5.579 0.536 623 H GLN 78 HN GLN 78 -13.948 3.455 2.647 624 HA GLN 78 HA GLN 78 -16.494 2.113 1.957 625 HB2 GLN 78 HB2 GLN 78 -13.782 1.794 0.674 626 HB3 GLN 78 HB1 GLN 78 -15.287 1.112 0.087 627 HG2 GLN 78 HG2 GLN 78 -15.615 2.900 -1.150 628 HG3 GLN 78 HG1 GLN 78 -15.577 3.929 0.289 629 HE21 GLN 78 HE21 GLN 78 -12.955 3.290 1.100 630 HE22 GLN 78 HE22 GLN 78 -11.876 4.061 -0.027 631 H TRP 79 HN TRP 79 -13.404 1.758 3.319 632 HA TRP 79 HA TRP 79 -13.387 -1.070 3.613 633 HB2 TRP 79 HB2 TRP 79 -11.599 1.062 3.891 634 HB3 TRP 79 HB1 TRP 79 -11.772 0.378 5.522 635 HD1 TRP 79 HD1 TRP 79 -11.183 -0.985 1.972 636 HE1 TRP 79 HE1 TRP 79 -9.526 -2.922 2.112 637 HE3 TRP 79 HE3 TRP 79 -10.541 -1.083 7.025 638 HZ2 TRP 79 HZ2 TRP 79 -8.110 -4.339 4.136 639 HZ3 TRP 79 HZ3 TRP 79 -9.022 -2.767 7.988 640 HH2 TRP 79 HH2 TRP 79 -7.841 -4.354 6.570 641 H LYS 80 HN LYS 80 -15.242 1.284 4.888 642 HA LYS 80 HA LYS 80 -15.584 0.809 7.558 643 HB2 LYS 80 HB2 LYS 80 -17.418 1.490 5.351 644 HB3 LYS 80 HB1 LYS 80 -18.195 0.853 6.803 645 HG2 LYS 80 HG2 LYS 80 -16.658 2.663 7.967 646 HG3 LYS 80 HG1 LYS 80 -16.730 3.399 6.365 647 HD2 LYS 80 HD2 LYS 80 -19.057 2.686 8.149 648 HD3 LYS 80 HD1 LYS 80 -18.498 4.303 7.731 649 HE2 LYS 80 HE2 LYS 80 -19.567 2.298 5.749 650 HE3 LYS 80 HE1 LYS 80 -20.527 3.574 6.489 651 HZ1 LYS 80 HZ1 LYS 80 -19.795 4.278 4.342 652 HZ2 LYS 80 HZ2 LYS 80 -18.181 3.929 4.705 653 HZ3 LYS 80 HZ3 LYS 80 -18.974 5.194 5.503 654 HA PRO 81 HA PRO 81 -17.328 -3.513 6.927 655 HB2 PRO 81 HB2 PRO 81 -18.479 -4.318 4.630 656 HB3 PRO 81 HB1 PRO 81 -19.364 -3.390 5.842 657 HG2 PRO 81 HG2 PRO 81 -18.351 -2.550 3.207 658 HG3 PRO 81 HG1 PRO 81 -19.670 -1.873 4.175 659 HD2 PRO 81 HD2 PRO 81 -16.980 -0.910 3.932 660 HD3 PRO 81 HD1 PRO 81 -18.295 -0.244 4.915 661 HA PRO 82 HA PRO 82 -13.301 -4.544 4.980 662 HB2 PRO 82 HB2 PRO 82 -13.873 -6.978 6.608 663 HB3 PRO 82 HB1 PRO 82 -12.382 -6.038 6.477 664 HG2 PRO 82 HG2 PRO 82 -13.928 -5.827 8.630 665 HG3 PRO 82 HG1 PRO 82 -13.127 -4.402 7.945 666 HD2 PRO 82 HD2 PRO 82 -15.988 -5.239 7.772 667 HD3 PRO 82 HD1 PRO 82 -15.294 -3.609 7.889 668 H SER 83 HN SER 83 -13.007 -5.663 3.078 669 HA SER 83 HA SER 83 -15.322 -7.274 2.255 670 HB2 SER 83 HB2 SER 83 -13.561 -5.517 0.522 671 HB3 SER 83 HB1 SER 83 -14.958 -6.443 -0.027 672 HG SER 83 HG SER 83 -15.559 -4.823 2.086 673 H GLN 84 HN GLN 84 -13.051 -8.198 3.592 674 HA GLN 84 HA GLN 84 -12.086 -10.150 1.727 675 HB2 GLN 84 HB2 GLN 84 -9.815 -9.582 1.864 676 HB3 GLN 84 HB1 GLN 84 -10.638 -8.087 1.544 677 HG2 GLN 84 HG2 GLN 84 -10.439 -7.448 3.861 678 HG3 GLN 84 HG1 GLN 84 -9.628 -8.974 4.222 679 HE21 GLN 84 HE21 GLN 84 -8.685 -6.222 4.492 680 HE22 GLN 84 HE22 GLN 84 -7.251 -6.125 3.552 681 H ASP 85 HN ASP 85 -11.934 -8.817 5.022 682 HA ASP 85 HA ASP 85 -11.167 -11.435 6.041 683 HB2 ASP 85 HB2 ASP 85 -9.923 -9.436 6.817 684 HB3 ASP 85 HB1 ASP 85 -11.411 -8.821 7.529 685 H SER 86 HN SER 86 -13.836 -9.322 5.902 686 HA SER 86 HA SER 86 -15.259 -10.227 8.166 687 HB2 SER 86 HB2 SER 86 -15.744 -8.078 7.028 688 HB3 SER 86 HB1 SER 86 -16.349 -8.965 5.635 689 HG SER 86 HG SER 86 -17.416 -9.309 8.240 690 H ALA 87 HN ALA 87 -15.021 -11.330 4.860 691 HA ALA 87 HA ALA 87 -16.855 -13.541 5.501 692 HB1 ALA 87 HB1 ALA 87 -17.350 -13.707 3.127 693 HB2 ALA 87 HB2 ALA 87 -16.229 -12.389 2.787 694 HB3 ALA 87 HB3 ALA 87 -17.692 -12.082 3.723 695 H THR 88 HN THR 88 -13.869 -13.291 5.921 696 HA THR 88 HA THR 88 -12.624 -14.898 3.916 697 HB THR 88 HB THR 88 -11.365 -13.251 5.320 698 HG1 THR 88 HG1 THR 88 -10.625 -15.718 4.545 699 HG21 THR 88 HG21 THR 88 -10.619 -13.905 7.539 700 HG22 THR 88 HG22 THR 88 -11.558 -15.392 7.438 701 HG23 THR 88 HG23 THR 88 -12.381 -13.833 7.495 702 H LEU 89 HN LEU 89 -14.491 -15.593 6.640 703 HA LEU 89 HA LEU 89 -13.790 -18.450 6.414 704 HB2 LEU 89 HB2 LEU 89 -15.011 -17.032 8.791 705 HB3 LEU 89 HB1 LEU 89 -14.622 -18.738 8.702 706 HG LEU 89 HG LEU 89 -12.625 -16.475 8.646 707 HD11 LEU 89 HD11 LEU 89 -13.650 -16.776 10.832 708 HD12 LEU 89 HD12 LEU 89 -11.964 -17.293 10.841 709 HD13 LEU 89 HD13 LEU 89 -13.253 -18.494 10.787 710 HD21 LEU 89 HD21 LEU 89 -12.210 -19.460 8.651 711 HD22 LEU 89 HD22 LEU 89 -10.941 -18.250 8.832 712 HD23 LEU 89 HD23 LEU 89 -11.849 -18.357 7.323 713 H THR 90 HN THR 90 -16.042 -16.025 6.001 714 HA THR 90 HA THR 90 -18.018 -15.963 4.914 715 HB THR 90 HB THR 90 -17.915 -18.974 4.669 716 HG1 THR 90 HG1 THR 90 -16.404 -16.956 3.453 717 HG21 THR 90 HG21 THR 90 -19.143 -16.838 2.912 718 HG22 THR 90 HG22 THR 90 -20.032 -17.897 4.006 719 HG23 THR 90 HG23 THR 90 -19.187 -18.577 2.616 720 H LYS 91 HN LYS 91 -17.796 -16.163 7.754 721 HA LYS 91 HA LYS 91 -20.529 -16.416 8.397 722 HB2 LYS 91 HB2 LYS 91 -20.097 -18.247 10.205 723 HB3 LYS 91 HB1 LYS 91 -20.445 -18.718 8.553 724 HG2 LYS 91 HG2 LYS 91 -18.671 -20.077 9.466 725 HG3 LYS 91 HG1 LYS 91 -18.057 -19.081 8.151 726 HD2 LYS 91 HD2 LYS 91 -16.458 -19.126 9.961 727 HD3 LYS 91 HD1 LYS 91 -17.138 -17.503 9.812 728 HE2 LYS 91 HE2 LYS 91 -17.004 -18.101 12.145 729 HE3 LYS 91 HE1 LYS 91 -18.696 -18.041 11.667 730 HZ1 LYS 91 HZ1 LYS 91 -18.285 -19.967 13.025 731 HZ2 LYS 91 HZ2 LYS 91 -17.051 -20.490 11.997 732 HZ3 LYS 91 HZ3 LYS 91 -18.650 -20.471 11.453 733 H ASP 92 HN ASP 92 -17.967 -14.782 8.745 734 HA ASP 92 HA ASP 92 -17.835 -14.696 11.677 735 HB2 ASP 92 HB2 ASP 92 -15.702 -14.999 10.451 736 HB3 ASP 92 HB1 ASP 92 -15.954 -13.436 9.681 737 H ALA 93 HN ALA 93 -18.245 -12.606 8.857 738 HA ALA 93 HA ALA 93 -19.198 -10.571 8.573 739 HB1 ALA 93 HB1 ALA 93 -20.623 -11.223 11.149 740 HB2 ALA 93 HB2 ALA 93 -21.152 -11.686 9.532 741 HB3 ALA 93 HB3 ALA 93 -21.093 -9.984 9.987 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 20.033 -1.383 -0.883 2 H2 MET 1 HT2 MET 1 21.458 -2.279 -0.741 3 H3 MET 1 HT3 MET 1 20.939 -1.305 0.540 4 HA MET 1 HA MET 1 19.524 -3.682 -0.495 5 HB2 MET 1 HB2 MET 1 21.572 -4.277 0.718 6 HB3 MET 1 HB1 MET 1 21.076 -3.270 2.071 7 HG2 MET 1 HG2 MET 1 20.668 -5.617 2.528 8 HG3 MET 1 HG1 MET 1 19.158 -4.711 2.464 9 HE1 MET 1 HE1 MET 1 21.405 -5.972 -0.536 10 HE2 MET 1 HE2 MET 1 20.646 -7.526 -0.878 11 HE3 MET 1 HE3 MET 1 21.492 -7.275 0.651 12 H VAL 2 HN VAL 2 17.518 -4.046 0.347 13 HA VAL 2 HA VAL 2 16.521 -2.214 2.390 14 HB VAL 2 HB VAL 2 15.955 -1.175 0.237 15 HG11 VAL 2 HG11 VAL 2 14.344 -2.272 -1.267 16 HG12 VAL 2 HG12 VAL 2 14.486 -3.745 -0.312 17 HG13 VAL 2 HG13 VAL 2 15.886 -3.119 -1.183 18 HG21 VAL 2 HG21 VAL 2 13.581 -0.872 0.618 19 HG22 VAL 2 HG22 VAL 2 14.442 -0.922 2.155 20 HG23 VAL 2 HG23 VAL 2 13.532 -2.330 1.609 21 H THR 3 HN THR 3 15.042 -3.116 3.735 22 HA THR 3 HA THR 3 14.300 -5.913 3.207 23 HB THR 3 HB THR 3 13.965 -6.096 5.657 24 HG1 THR 3 HG1 THR 3 15.038 -4.265 6.857 25 HG21 THR 3 HG21 THR 3 16.700 -5.100 4.853 26 HG22 THR 3 HG22 THR 3 16.108 -6.752 4.685 27 HG23 THR 3 HG23 THR 3 16.332 -6.056 6.290 28 H LYS 4 HN LYS 4 12.184 -6.587 3.952 29 HA LYS 4 HA LYS 4 10.105 -4.722 3.323 30 HB2 LYS 4 HB2 LYS 4 9.866 -7.145 2.861 31 HB3 LYS 4 HB1 LYS 4 9.941 -7.475 4.587 32 HG2 LYS 4 HG2 LYS 4 7.902 -6.077 4.874 33 HG3 LYS 4 HG1 LYS 4 7.802 -5.959 3.119 34 HD2 LYS 4 HD2 LYS 4 6.311 -7.688 3.869 35 HD3 LYS 4 HD1 LYS 4 7.655 -8.432 3.008 36 HE2 LYS 4 HE2 LYS 4 7.005 -9.627 5.086 37 HE3 LYS 4 HE1 LYS 4 8.683 -9.101 5.064 38 HZ1 LYS 4 HZ1 LYS 4 7.017 -8.686 7.098 39 HZ2 LYS 4 HZ2 LYS 4 6.816 -7.222 6.265 40 HZ3 LYS 4 HZ3 LYS 4 8.360 -7.713 6.776 41 H GLU 5 HN GLU 5 11.986 -5.420 5.964 42 HA GLU 5 HA GLU 5 9.992 -5.145 8.004 43 HB2 GLU 5 HB2 GLU 5 12.996 -5.288 8.153 44 HB3 GLU 5 HB1 GLU 5 11.921 -5.339 9.549 45 HG2 GLU 5 HG2 GLU 5 12.222 -7.366 7.356 46 HG3 GLU 5 HG1 GLU 5 12.555 -7.562 9.075 47 H GLN 6 HN GLN 6 12.388 -3.188 6.469 48 HA GLN 6 HA GLN 6 11.915 -0.952 8.214 49 HB2 GLN 6 HB2 GLN 6 13.310 0.317 6.675 50 HB3 GLN 6 HB1 GLN 6 14.094 -1.186 7.123 51 HG2 GLN 6 HG2 GLN 6 14.485 -1.393 4.945 52 HG3 GLN 6 HG1 GLN 6 12.795 -1.894 4.839 53 HE21 GLN 6 HE21 GLN 6 11.257 -0.399 4.081 54 HE22 GLN 6 HE22 GLN 6 11.721 1.005 3.170 55 H VAL 7 HN VAL 7 10.555 -2.309 5.361 56 HA VAL 7 HA VAL 7 9.264 0.043 4.353 57 HB VAL 7 HB VAL 7 8.798 -2.914 3.911 58 HG11 VAL 7 HG11 VAL 7 7.432 -0.628 2.511 59 HG12 VAL 7 HG12 VAL 7 6.677 -1.737 3.656 60 HG13 VAL 7 HG13 VAL 7 7.278 -2.337 2.110 61 HG21 VAL 7 HG21 VAL 7 9.951 -0.756 2.153 62 HG22 VAL 7 HG22 VAL 7 9.673 -2.428 1.665 63 HG23 VAL 7 HG23 VAL 7 10.840 -2.063 2.936 64 H GLU 8 HN GLU 8 8.557 -2.551 6.465 65 HA GLU 8 HA GLU 8 5.858 -2.287 7.009 66 HB2 GLU 8 HB2 GLU 8 8.035 -3.770 7.813 67 HB3 GLU 8 HB1 GLU 8 7.568 -2.933 9.286 68 HG2 GLU 8 HG2 GLU 8 6.499 -5.093 9.210 69 HG3 GLU 8 HG1 GLU 8 5.295 -3.815 9.094 70 H ALA 9 HN ALA 9 8.681 -0.834 8.583 71 HA ALA 9 HA ALA 9 7.036 0.680 10.418 72 HB1 ALA 9 HB1 ALA 9 9.174 1.524 11.274 73 HB2 ALA 9 HB2 ALA 9 10.019 0.708 9.960 74 HB3 ALA 9 HB3 ALA 9 9.165 -0.236 11.180 75 H SER 10 HN SER 10 8.535 1.014 7.364 76 HA SER 10 HA SER 10 8.849 3.868 7.395 77 HB2 SER 10 HB2 SER 10 10.125 2.352 5.876 78 HB3 SER 10 HB1 SER 10 8.635 2.044 4.987 79 HG SER 10 HG SER 10 9.426 3.678 3.863 80 H LEU 11 HN LEU 11 6.486 1.718 5.828 81 HA LEU 11 HA LEU 11 4.880 3.848 4.878 82 HB2 LEU 11 HB2 LEU 11 4.497 0.895 5.155 83 HB3 LEU 11 HB1 LEU 11 3.125 1.911 4.762 84 HG LEU 11 HG LEU 11 4.256 2.700 2.741 85 HD11 LEU 11 HD11 LEU 11 6.473 0.828 3.557 86 HD12 LEU 11 HD12 LEU 11 6.566 2.584 3.429 87 HD13 LEU 11 HD13 LEU 11 6.329 1.606 1.982 88 HD21 LEU 11 HD21 LEU 11 4.190 0.604 1.483 89 HD22 LEU 11 HD22 LEU 11 2.829 0.747 2.596 90 HD23 LEU 11 HD23 LEU 11 4.191 -0.299 2.997 91 H THR 12 HN THR 12 4.889 1.975 7.851 92 HA THR 12 HA THR 12 2.462 2.845 8.932 93 HB THR 12 HB THR 12 5.067 2.145 10.301 94 HG1 THR 12 HG1 THR 12 4.314 0.311 9.421 95 HG21 THR 12 HG21 THR 12 3.745 3.487 11.835 96 HG22 THR 12 HG22 THR 12 3.711 1.797 12.338 97 HG23 THR 12 HG23 THR 12 2.322 2.500 11.509 98 H SER 13 HN SER 13 5.394 4.539 8.366 99 HA SER 13 HA SER 13 4.767 6.665 10.264 100 HB2 SER 13 HB2 SER 13 7.106 5.809 9.993 101 HB3 SER 13 HB1 SER 13 7.089 6.434 8.344 102 HG SER 13 HG SER 13 7.479 7.745 10.696 103 H LYS 14 HN LYS 14 5.101 6.128 6.797 104 HA LYS 14 HA LYS 14 4.608 8.898 6.135 105 HB2 LYS 14 HB2 LYS 14 4.791 6.477 4.327 106 HB3 LYS 14 HB1 LYS 14 4.852 8.156 3.817 107 HG2 LYS 14 HG2 LYS 14 6.973 8.472 4.877 108 HG3 LYS 14 HG1 LYS 14 6.886 6.879 5.631 109 HD2 LYS 14 HD2 LYS 14 6.953 5.825 3.423 110 HD3 LYS 14 HD1 LYS 14 7.015 7.414 2.660 111 HE2 LYS 14 HE2 LYS 14 9.151 7.862 3.743 112 HE3 LYS 14 HE1 LYS 14 9.080 6.302 4.556 113 HZ1 LYS 14 HZ1 LYS 14 10.508 6.300 2.571 114 HZ2 LYS 14 HZ2 LYS 14 9.171 6.657 1.601 115 HZ3 LYS 14 HZ3 LYS 14 9.241 5.186 2.447 116 H LEU 15 HN LEU 15 2.852 5.938 6.366 117 HA LEU 15 HA LEU 15 0.528 7.103 4.966 118 HB2 LEU 15 HB2 LEU 15 1.835 4.452 4.875 119 HB3 LEU 15 HB1 LEU 15 0.081 4.442 4.857 120 HG LEU 15 HG LEU 15 -0.011 5.615 2.791 121 HD11 LEU 15 HD11 LEU 15 1.697 7.288 3.172 122 HD12 LEU 15 HD12 LEU 15 1.988 6.460 1.641 123 HD13 LEU 15 HD13 LEU 15 2.958 6.058 3.059 124 HD21 LEU 15 HD21 LEU 15 1.284 4.165 1.306 125 HD22 LEU 15 HD22 LEU 15 0.518 3.250 2.603 126 HD23 LEU 15 HD23 LEU 15 2.241 3.615 2.681 127 H LYS 16 HN LYS 16 1.757 5.928 7.846 128 HA LYS 16 HA LYS 16 0.925 5.719 9.925 129 HB2 LYS 16 HB2 LYS 16 -1.716 6.526 8.703 130 HB3 LYS 16 HB1 LYS 16 -1.428 6.334 10.426 131 HG2 LYS 16 HG2 LYS 16 0.343 8.090 10.236 132 HG3 LYS 16 HG1 LYS 16 -0.198 8.360 8.579 133 HD2 LYS 16 HD2 LYS 16 -2.461 8.851 9.435 134 HD3 LYS 16 HD1 LYS 16 -1.850 8.670 11.082 135 HE2 LYS 16 HE2 LYS 16 -1.899 11.002 10.554 136 HE3 LYS 16 HE1 LYS 16 -0.215 10.481 10.604 137 HZ1 LYS 16 HZ1 LYS 16 -0.593 11.886 8.704 138 HZ2 LYS 16 HZ2 LYS 16 -1.856 10.899 8.165 139 HZ3 LYS 16 HZ3 LYS 16 -0.267 10.314 8.171 140 HA PRO 17 HA PRO 17 -0.210 1.506 9.995 141 HB2 PRO 17 HB2 PRO 17 -0.874 1.159 12.587 142 HB3 PRO 17 HB1 PRO 17 0.785 1.472 12.070 143 HG2 PRO 17 HG2 PRO 17 -1.237 3.366 13.205 144 HG3 PRO 17 HG1 PRO 17 0.491 3.219 13.578 145 HD2 PRO 17 HD2 PRO 17 -0.510 5.117 11.908 146 HD3 PRO 17 HD1 PRO 17 1.121 4.438 11.738 147 H ILE 18 HN ILE 18 -2.335 2.943 8.909 148 HA ILE 18 HA ILE 18 -4.781 2.352 10.292 149 HB ILE 18 HB ILE 18 -4.510 2.822 7.333 150 HG12 ILE 18 HG12 ILE 18 -3.267 4.604 8.494 151 HG13 ILE 18 HG11 ILE 18 -4.733 5.231 7.749 152 HG21 ILE 18 HG21 ILE 18 -6.700 2.117 8.088 153 HG22 ILE 18 HG22 ILE 18 -6.756 3.809 7.593 154 HG23 ILE 18 HG23 ILE 18 -6.721 3.393 9.307 155 HD11 ILE 18 HD11 ILE 18 -4.383 6.200 9.936 156 HD12 ILE 18 HD12 ILE 18 -4.358 4.594 10.666 157 HD13 ILE 18 HD13 ILE 18 -5.839 5.205 9.927 158 H HIS 19 HN HIS 19 -3.798 1.236 7.050 159 HA HIS 19 HA HIS 19 -3.855 -1.518 7.936 160 HB2 HIS 19 HB2 HIS 19 -6.212 -1.047 7.278 161 HB3 HIS 19 HB1 HIS 19 -5.639 -0.588 5.682 162 HD1 HIS 19 HD1 HIS 19 -6.063 -3.588 7.896 163 HD2 HIS 19 HD2 HIS 19 -5.149 -2.689 3.937 164 HE1 HIS 19 HE1 HIS 19 -6.293 -5.746 6.639 165 HE2 HIS 19 HE2 HIS 19 -5.660 -5.206 4.255 166 H LEU 20 HN LEU 20 -1.790 -1.732 7.418 167 HA LEU 20 HA LEU 20 -1.052 -1.441 4.580 168 HB2 LEU 20 HB2 LEU 20 0.799 -0.977 6.920 169 HB3 LEU 20 HB1 LEU 20 1.137 -0.692 5.226 170 HG LEU 20 HG LEU 20 -0.945 0.849 6.763 171 HD11 LEU 20 HD11 LEU 20 1.193 1.213 7.817 172 HD12 LEU 20 HD12 LEU 20 0.739 2.638 6.881 173 HD13 LEU 20 HD13 LEU 20 1.944 1.516 6.252 174 HD21 LEU 20 HD21 LEU 20 -0.708 2.436 4.922 175 HD22 LEU 20 HD22 LEU 20 -1.202 0.849 4.336 176 HD23 LEU 20 HD23 LEU 20 0.472 1.376 4.153 177 H GLU 21 HN GLU 21 -0.366 -3.303 3.766 178 HA GLU 21 HA GLU 21 1.006 -5.231 5.432 179 HB2 GLU 21 HB2 GLU 21 -1.534 -5.874 3.928 180 HB3 GLU 21 HB1 GLU 21 -0.416 -7.097 4.516 181 HG2 GLU 21 HG2 GLU 21 -0.753 -6.072 6.815 182 HG3 GLU 21 HG1 GLU 21 -2.111 -5.202 6.101 183 H VAL 22 HN VAL 22 2.817 -5.091 4.336 184 HA VAL 22 HA VAL 22 2.779 -5.307 1.434 185 HB VAL 22 HB VAL 22 5.155 -4.701 1.540 186 HG11 VAL 22 HG11 VAL 22 3.255 -2.927 3.063 187 HG12 VAL 22 HG12 VAL 22 3.610 -2.902 1.334 188 HG13 VAL 22 HG13 VAL 22 4.842 -2.404 2.493 189 HG21 VAL 22 HG21 VAL 22 4.728 -4.503 4.522 190 HG22 VAL 22 HG22 VAL 22 6.184 -4.029 3.647 191 HG23 VAL 22 HG23 VAL 22 5.699 -5.723 3.702 192 H ILE 23 HN ILE 23 3.857 -6.941 0.359 193 HA ILE 23 HA ILE 23 4.529 -9.277 1.971 194 HB ILE 23 HB ILE 23 3.043 -9.359 -0.651 195 HG12 ILE 23 HG12 ILE 23 1.654 -8.408 1.175 196 HG13 ILE 23 HG11 ILE 23 1.044 -9.953 0.592 197 HG21 ILE 23 HG21 ILE 23 4.437 -11.309 -0.213 198 HG22 ILE 23 HG22 ILE 23 2.724 -11.723 -0.150 199 HG23 ILE 23 HG23 ILE 23 3.641 -11.531 1.344 200 HD11 ILE 23 HD11 ILE 23 2.641 -9.508 3.106 201 HD12 ILE 23 HD12 ILE 23 2.040 -11.063 2.529 202 HD13 ILE 23 HD13 ILE 23 0.904 -9.802 3.008 203 H ASP 24 HN ASP 24 6.586 -9.339 1.708 204 HA ASP 24 HA ASP 24 8.035 -8.660 -0.632 205 HB2 ASP 24 HB2 ASP 24 9.118 -8.537 1.540 206 HB3 ASP 24 HB1 ASP 24 8.889 -10.266 1.783 207 H ILE 25 HN ILE 25 8.165 -9.723 -2.397 208 HA ILE 25 HA ILE 25 7.645 -12.615 -2.425 209 HB ILE 25 HB ILE 25 7.681 -10.730 -4.794 210 HG12 ILE 25 HG12 ILE 25 5.978 -9.998 -3.164 211 HG13 ILE 25 HG11 ILE 25 5.247 -10.623 -4.638 212 HG21 ILE 25 HG21 ILE 25 6.437 -13.454 -4.443 213 HG22 ILE 25 HG22 ILE 25 7.907 -13.101 -5.349 214 HG23 ILE 25 HG23 ILE 25 6.359 -12.459 -5.897 215 HD11 ILE 25 HD11 ILE 25 5.510 -12.100 -2.030 216 HD12 ILE 25 HD12 ILE 25 4.786 -12.738 -3.506 217 HD13 ILE 25 HD13 ILE 25 4.040 -11.371 -2.676 218 H SER 26 HN SER 26 10.258 -10.760 -2.069 219 HA SER 26 HA SER 26 11.951 -12.495 -3.686 220 HB2 SER 26 HB2 SER 26 13.126 -10.229 -4.422 221 HB3 SER 26 HB1 SER 26 11.788 -10.922 -5.343 222 HG SER 26 HG SER 26 10.475 -9.577 -3.775 223 H GLY 27 HN GLY 27 12.694 -9.326 -2.247 224 HA2 GLY 27 HA2 GLY 27 13.756 -10.036 0.162 225 HA3 GLY 27 HA1 GLY 27 15.022 -10.438 -0.987 226 H GLY 28 HN GLY 28 16.354 -8.860 -1.680 227 HA2 GLY 28 HA2 GLY 28 15.712 -6.115 -0.788 228 HA3 GLY 28 HA1 GLY 28 17.318 -6.810 -0.670 229 H CYS 29 HN CYS 29 17.577 -7.972 -3.180 230 HA CYS 29 HA CYS 29 17.919 -5.569 -4.800 231 HB2 CYS 29 HB2 CYS 29 18.888 -8.393 -5.288 232 HB3 CYS 29 HB1 CYS 29 19.359 -6.964 -6.203 233 HG CYS 29 HG CYS 29 20.223 -5.915 -3.455 234 H GLY 30 HN GLY 30 16.178 -8.557 -4.690 235 HA2 GLY 30 HA2 GLY 30 14.933 -8.173 -7.275 236 HA3 GLY 30 HA1 GLY 30 14.608 -9.476 -6.132 237 H SER 31 HN SER 31 14.697 -7.085 -4.187 238 HA SER 31 HA SER 31 12.430 -7.335 -2.960 239 HB2 SER 31 HB2 SER 31 14.094 -5.800 -2.193 240 HB3 SER 31 HB1 SER 31 13.811 -4.720 -3.554 241 HG SER 31 HG SER 31 12.578 -4.811 -1.177 242 H SER 32 HN SER 32 10.530 -7.601 -3.646 243 HA SER 32 HA SER 32 9.138 -5.411 -5.006 244 HB2 SER 32 HB2 SER 32 8.789 -8.344 -5.704 245 HB3 SER 32 HB1 SER 32 7.936 -6.988 -6.437 246 HG SER 32 HG SER 32 10.739 -6.995 -6.486 247 H PHE 33 HN PHE 33 7.573 -4.783 -3.665 248 HA PHE 33 HA PHE 33 6.497 -6.789 -1.798 249 HB2 PHE 33 HB2 PHE 33 6.544 -3.795 -1.428 250 HB3 PHE 33 HB1 PHE 33 6.069 -5.000 -0.238 251 HD1 PHE 33 HD1 PHE 33 8.005 -6.921 -0.047 252 HD2 PHE 33 HD2 PHE 33 8.577 -2.824 -0.999 253 HE1 PHE 33 HE1 PHE 33 10.332 -7.071 0.739 254 HE2 PHE 33 HE2 PHE 33 10.897 -2.961 -0.203 255 HZ PHE 33 HZ PHE 33 11.775 -5.087 0.666 256 H GLU 34 HN GLU 34 4.447 -7.271 -1.885 257 HA GLU 34 HA GLU 34 2.611 -5.700 -3.523 258 HB2 GLU 34 HB2 GLU 34 1.972 -8.137 -1.850 259 HB3 GLU 34 HB1 GLU 34 1.041 -7.487 -3.187 260 HG2 GLU 34 HG2 GLU 34 3.784 -8.691 -3.449 261 HG3 GLU 34 HG1 GLU 34 2.275 -9.556 -3.729 262 H VAL 35 HN VAL 35 1.825 -3.899 -2.515 263 HA VAL 35 HA VAL 35 1.409 -4.084 0.384 264 HB VAL 35 HB VAL 35 2.910 -2.294 -0.351 265 HG11 VAL 35 HG11 VAL 35 2.091 -0.341 -1.520 266 HG12 VAL 35 HG12 VAL 35 0.504 -1.093 -1.686 267 HG13 VAL 35 HG13 VAL 35 1.900 -1.788 -2.512 268 HG21 VAL 35 HG21 VAL 35 1.730 -2.027 1.726 269 HG22 VAL 35 HG22 VAL 35 0.334 -1.363 0.882 270 HG23 VAL 35 HG23 VAL 35 1.852 -0.466 0.915 271 H GLU 36 HN GLU 36 -0.473 -3.867 1.321 272 HA GLU 36 HA GLU 36 -2.809 -3.032 -0.261 273 HB2 GLU 36 HB2 GLU 36 -2.856 -5.369 0.625 274 HB3 GLU 36 HB1 GLU 36 -2.717 -4.719 2.249 275 HG2 GLU 36 HG2 GLU 36 -4.859 -3.705 2.114 276 HG3 GLU 36 HG1 GLU 36 -4.977 -4.050 0.389 277 H VAL 37 HN VAL 37 -3.189 -0.962 0.136 278 HA VAL 37 HA VAL 37 -2.463 0.136 2.779 279 HB VAL 37 HB VAL 37 -2.802 1.667 0.196 280 HG11 VAL 37 HG11 VAL 37 -1.524 2.407 2.817 281 HG12 VAL 37 HG12 VAL 37 -3.043 3.027 2.172 282 HG13 VAL 37 HG13 VAL 37 -1.522 3.405 1.365 283 HG21 VAL 37 HG21 VAL 37 -0.255 0.625 1.419 284 HG22 VAL 37 HG22 VAL 37 -0.355 1.737 0.054 285 HG23 VAL 37 HG23 VAL 37 -0.982 0.095 -0.098 286 H VAL 38 HN VAL 38 -3.929 1.021 3.996 287 HA VAL 38 HA VAL 38 -6.229 2.343 2.730 288 HB VAL 38 HB VAL 38 -6.224 1.105 5.498 289 HG11 VAL 38 HG11 VAL 38 -8.422 2.487 3.971 290 HG12 VAL 38 HG12 VAL 38 -7.568 3.126 5.374 291 HG13 VAL 38 HG13 VAL 38 -8.595 1.703 5.540 292 HG21 VAL 38 HG21 VAL 38 -7.766 -0.533 4.673 293 HG22 VAL 38 HG22 VAL 38 -6.346 -0.549 3.625 294 HG23 VAL 38 HG23 VAL 38 -7.824 0.249 3.097 295 H SER 39 HN SER 39 -5.423 4.386 2.680 296 HA SER 39 HA SER 39 -4.498 5.489 5.245 297 HB2 SER 39 HB2 SER 39 -3.218 5.872 2.536 298 HB3 SER 39 HB1 SER 39 -2.845 6.864 3.945 299 HG SER 39 HG SER 39 -2.218 4.923 5.017 300 H GLU 40 HN GLU 40 -4.495 7.840 5.289 301 HA GLU 40 HA GLU 40 -6.947 8.924 4.326 302 HB2 GLU 40 HB2 GLU 40 -6.290 10.931 5.506 303 HB3 GLU 40 HB1 GLU 40 -5.923 9.526 6.495 304 HG2 GLU 40 HG2 GLU 40 -3.589 9.664 5.904 305 HG3 GLU 40 HG1 GLU 40 -3.922 11.015 4.819 306 H GLN 41 HN GLN 41 -4.312 8.242 2.633 307 HA GLN 41 HA GLN 41 -4.138 10.771 1.166 308 HB2 GLN 41 HB2 GLN 41 -2.466 8.305 1.263 309 HB3 GLN 41 HB1 GLN 41 -2.480 9.220 -0.236 310 HG2 GLN 41 HG2 GLN 41 -0.619 9.943 1.041 311 HG3 GLN 41 HG1 GLN 41 -1.815 11.234 1.057 312 HE21 GLN 41 HE21 GLN 41 -1.963 8.315 3.005 313 HE22 GLN 41 HE22 GLN 41 -1.725 9.097 4.524 314 H PHE 42 HN PHE 42 -6.231 8.510 1.306 315 HA PHE 42 HA PHE 42 -6.660 8.365 -1.599 316 HB2 PHE 42 HB2 PHE 42 -7.373 6.362 0.548 317 HB3 PHE 42 HB1 PHE 42 -7.835 6.213 -1.144 318 HD1 PHE 42 HD1 PHE 42 -5.069 7.342 -2.110 319 HD2 PHE 42 HD2 PHE 42 -6.232 4.257 0.578 320 HE1 PHE 42 HE1 PHE 42 -2.970 6.153 -2.568 321 HE2 PHE 42 HE2 PHE 42 -4.135 3.071 0.133 322 HZ PHE 42 HZ PHE 42 -2.498 4.017 -1.444 323 H GLU 43 HN GLU 43 -7.543 10.098 0.858 324 HA GLU 43 HA GLU 43 -10.247 9.473 1.400 325 HB2 GLU 43 HB2 GLU 43 -8.684 12.022 1.784 326 HB3 GLU 43 HB1 GLU 43 -10.338 11.807 2.344 327 HG2 GLU 43 HG2 GLU 43 -7.924 10.244 3.210 328 HG3 GLU 43 HG1 GLU 43 -8.820 11.429 4.159 329 H GLY 44 HN GLY 44 -11.760 9.443 -0.094 330 HA2 GLY 44 HA2 GLY 44 -13.196 10.126 -1.736 331 HA3 GLY 44 HA1 GLY 44 -12.771 11.769 -1.279 332 H LYS 45 HN LYS 45 -10.248 9.657 -2.317 333 HA LYS 45 HA LYS 45 -9.871 11.318 -4.681 334 HB2 LYS 45 HB2 LYS 45 -8.032 9.191 -3.605 335 HB3 LYS 45 HB1 LYS 45 -7.644 10.479 -4.714 336 HG2 LYS 45 HG2 LYS 45 -8.373 10.883 -1.834 337 HG3 LYS 45 HG1 LYS 45 -6.736 10.906 -2.491 338 HD2 LYS 45 HD2 LYS 45 -7.323 12.822 -3.892 339 HD3 LYS 45 HD1 LYS 45 -8.967 12.790 -3.254 340 HE2 LYS 45 HE2 LYS 45 -8.082 13.200 -0.998 341 HE3 LYS 45 HE1 LYS 45 -6.451 13.274 -1.663 342 HZ1 LYS 45 HZ1 LYS 45 -7.367 15.475 -1.337 343 HZ2 LYS 45 HZ2 LYS 45 -8.682 15.110 -2.334 344 HZ3 LYS 45 HZ3 LYS 45 -7.125 15.184 -2.987 345 H ARG 46 HN ARG 46 -9.323 10.325 -6.684 346 HA ARG 46 HA ARG 46 -10.717 7.821 -7.153 347 HB2 ARG 46 HB2 ARG 46 -9.441 9.843 -8.996 348 HB3 ARG 46 HB1 ARG 46 -10.022 8.290 -9.572 349 HG2 ARG 46 HG2 ARG 46 -11.703 9.914 -10.010 350 HG3 ARG 46 HG1 ARG 46 -12.278 8.881 -8.703 351 HD2 ARG 46 HD2 ARG 46 -11.595 10.590 -7.078 352 HD3 ARG 46 HD1 ARG 46 -11.062 11.622 -8.402 353 HE ARG 46 HE ARG 46 -13.724 10.970 -8.877 354 HH11 ARG 46 HH11 ARG 46 -11.840 12.734 -6.516 355 HH12 ARG 46 HH12 ARG 46 -13.129 13.826 -6.118 356 HH21 ARG 46 HH21 ARG 46 -15.420 12.411 -8.357 357 HH22 ARG 46 HH22 ARG 46 -15.164 13.630 -7.149 358 H LEU 47 HN LEU 47 -9.725 5.987 -7.883 359 HA LEU 47 HA LEU 47 -7.568 4.986 -6.683 360 HB2 LEU 47 HB2 LEU 47 -8.395 4.339 -9.504 361 HB3 LEU 47 HB1 LEU 47 -7.349 3.341 -8.516 362 HG LEU 47 HG LEU 47 -10.219 4.000 -7.839 363 HD11 LEU 47 HD11 LEU 47 -9.016 1.501 -9.014 364 HD12 LEU 47 HD12 LEU 47 -10.096 2.626 -9.836 365 HD13 LEU 47 HD13 LEU 47 -10.683 1.680 -8.468 366 HD21 LEU 47 HD21 LEU 47 -8.239 2.082 -6.616 367 HD22 LEU 47 HD22 LEU 47 -9.953 2.164 -6.212 368 HD23 LEU 47 HD23 LEU 47 -8.903 3.534 -5.868 369 H LEU 48 HN LEU 48 -7.386 6.676 -9.755 370 HA LEU 48 HA LEU 48 -4.648 6.175 -10.266 371 HB2 LEU 48 HB2 LEU 48 -6.224 6.849 -12.021 372 HB3 LEU 48 HB1 LEU 48 -6.423 8.412 -11.253 373 HG LEU 48 HG LEU 48 -4.033 8.902 -11.692 374 HD11 LEU 48 HD11 LEU 48 -4.119 6.312 -13.235 375 HD12 LEU 48 HD12 LEU 48 -3.179 6.628 -11.776 376 HD13 LEU 48 HD13 LEU 48 -2.804 7.486 -13.270 377 HD21 LEU 48 HD21 LEU 48 -5.669 8.166 -14.115 378 HD22 LEU 48 HD22 LEU 48 -4.286 9.259 -14.099 379 HD23 LEU 48 HD23 LEU 48 -5.754 9.684 -13.221 380 H GLU 49 HN GLU 49 -6.337 9.015 -9.018 381 HA GLU 49 HA GLU 49 -4.124 10.597 -8.332 382 HB2 GLU 49 HB2 GLU 49 -6.580 10.537 -6.613 383 HB3 GLU 49 HB1 GLU 49 -5.634 11.919 -7.142 384 HG2 GLU 49 HG2 GLU 49 -7.385 10.268 -8.935 385 HG3 GLU 49 HG1 GLU 49 -7.881 11.775 -8.163 386 H ARG 50 HN ARG 50 -5.910 8.117 -6.695 387 HA ARG 50 HA ARG 50 -4.836 8.188 -4.141 388 HB2 ARG 50 HB2 ARG 50 -5.958 6.006 -5.888 389 HB3 ARG 50 HB1 ARG 50 -5.355 5.637 -4.262 390 HG2 ARG 50 HG2 ARG 50 -6.957 7.381 -3.406 391 HG3 ARG 50 HG1 ARG 50 -7.632 7.445 -5.035 392 HD2 ARG 50 HD2 ARG 50 -7.912 4.911 -4.816 393 HD3 ARG 50 HD1 ARG 50 -7.621 5.151 -3.096 394 HE ARG 50 HE ARG 50 -9.620 6.934 -3.914 395 HH11 ARG 50 HH11 ARG 50 -9.150 3.487 -3.443 396 HH12 ARG 50 HH12 ARG 50 -10.840 3.172 -3.208 397 HH21 ARG 50 HH21 ARG 50 -11.819 6.521 -3.565 398 HH22 ARG 50 HH22 ARG 50 -12.355 4.900 -3.255 399 H HIS 51 HN HIS 51 -3.795 6.297 -6.955 400 HA HIS 51 HA HIS 51 -1.585 5.132 -5.589 401 HB2 HIS 51 HB2 HIS 51 -2.132 5.357 -8.556 402 HB3 HIS 51 HB1 HIS 51 -0.856 4.375 -7.846 403 HD1 HIS 51 HD1 HIS 51 -3.570 3.541 -9.531 404 HD2 HIS 51 HD2 HIS 51 -2.706 2.906 -5.529 405 HE1 HIS 51 HE1 HIS 51 -4.970 1.587 -8.810 406 HE2 HIS 51 HE2 HIS 51 -4.525 1.297 -6.371 407 H ARG 52 HN ARG 52 -2.002 7.920 -7.646 408 HA ARG 52 HA ARG 52 0.750 8.467 -8.047 409 HB2 ARG 52 HB2 ARG 52 -1.129 9.341 -9.450 410 HB3 ARG 52 HB1 ARG 52 -1.590 10.385 -8.115 411 HG2 ARG 52 HG2 ARG 52 0.595 11.501 -8.256 412 HG3 ARG 52 HG1 ARG 52 1.004 10.480 -9.637 413 HD2 ARG 52 HD2 ARG 52 0.221 12.618 -10.431 414 HD3 ARG 52 HD1 ARG 52 -0.961 11.375 -10.835 415 HE ARG 52 HE ARG 52 -1.258 13.245 -8.570 416 HH11 ARG 52 HH11 ARG 52 -2.627 11.376 -11.201 417 HH12 ARG 52 HH12 ARG 52 -4.253 11.919 -10.912 418 HH21 ARG 52 HH21 ARG 52 -3.384 13.981 -8.209 419 HH22 ARG 52 HH22 ARG 52 -4.676 13.431 -9.238 420 H MET 53 HN MET 53 -1.349 8.831 -5.397 421 HA MET 53 HA MET 53 0.206 11.038 -4.287 422 HB2 MET 53 HB2 MET 53 -2.333 11.005 -4.290 423 HB3 MET 53 HB1 MET 53 -2.230 9.746 -3.068 424 HG2 MET 53 HG2 MET 53 -1.077 11.233 -1.561 425 HG3 MET 53 HG1 MET 53 -1.039 12.496 -2.790 426 HE1 MET 53 HE1 MET 53 -3.178 13.737 -3.698 427 HE2 MET 53 HE2 MET 53 -4.818 13.442 -3.119 428 HE3 MET 53 HE3 MET 53 -3.986 12.213 -4.069 429 H VAL 54 HN VAL 54 -0.595 7.684 -3.762 430 HA VAL 54 HA VAL 54 0.728 7.458 -1.248 431 HB VAL 54 HB VAL 54 -0.963 5.880 -2.685 432 HG11 VAL 54 HG11 VAL 54 0.787 5.015 -4.126 433 HG12 VAL 54 HG12 VAL 54 0.109 3.739 -3.111 434 HG13 VAL 54 HG13 VAL 54 1.675 4.445 -2.712 435 HG21 VAL 54 HG21 VAL 54 0.766 5.201 -0.326 436 HG22 VAL 54 HG22 VAL 54 -0.591 4.206 -0.849 437 HG23 VAL 54 HG23 VAL 54 -0.868 5.862 -0.309 438 H ASN 55 HN ASN 55 1.585 6.878 -4.601 439 HA ASN 55 HA ASN 55 4.191 5.901 -3.896 440 HB2 ASN 55 HB2 ASN 55 4.586 5.511 -6.113 441 HB3 ASN 55 HB1 ASN 55 2.833 5.389 -6.088 442 HD21 ASN 55 HD21 ASN 55 2.280 8.136 -5.934 443 HD22 ASN 55 HD22 ASN 55 2.802 8.908 -7.389 444 H ALA 56 HN ALA 56 2.759 8.934 -4.215 445 HA ALA 56 HA ALA 56 5.035 10.454 -4.883 446 HB1 ALA 56 HB1 ALA 56 3.926 12.325 -3.752 447 HB2 ALA 56 HB2 ALA 56 2.764 11.207 -3.040 448 HB3 ALA 56 HB3 ALA 56 2.797 11.447 -4.785 449 H ALA 57 HN ALA 57 3.807 9.137 -1.889 450 HA ALA 57 HA ALA 57 6.008 10.206 -0.320 451 HB1 ALA 57 HB1 ALA 57 3.803 10.303 0.660 452 HB2 ALA 57 HB2 ALA 57 4.787 9.161 1.575 453 HB3 ALA 57 HB3 ALA 57 3.585 8.569 0.426 454 H LEU 58 HN LEU 58 5.635 7.702 -2.336 455 HA LEU 58 HA LEU 58 7.355 5.895 -0.793 456 HB2 LEU 58 HB2 LEU 58 4.682 5.422 -1.832 457 HB3 LEU 58 HB1 LEU 58 5.844 4.274 -2.460 458 HG LEU 58 HG LEU 58 6.468 3.672 -0.134 459 HD11 LEU 58 HD11 LEU 58 5.058 4.404 1.713 460 HD12 LEU 58 HD12 LEU 58 4.165 5.464 0.622 461 HD13 LEU 58 HD13 LEU 58 5.869 5.774 0.955 462 HD21 LEU 58 HD21 LEU 58 4.400 2.456 0.383 463 HD22 LEU 58 HD22 LEU 58 4.828 2.344 -1.323 464 HD23 LEU 58 HD23 LEU 58 3.540 3.434 -0.807 465 H GLU 59 HN GLU 59 7.229 7.850 -3.291 466 HA GLU 59 HA GLU 59 8.147 6.247 -5.467 467 HB2 GLU 59 HB2 GLU 59 7.170 8.488 -5.846 468 HB3 GLU 59 HB1 GLU 59 8.524 9.216 -4.969 469 HG2 GLU 59 HG2 GLU 59 10.056 8.267 -6.692 470 HG3 GLU 59 HG1 GLU 59 8.632 7.754 -7.594 471 H GLU 60 HN GLU 60 9.562 7.882 -2.799 472 HA GLU 60 HA GLU 60 12.271 7.556 -3.684 473 HB2 GLU 60 HB2 GLU 60 12.599 8.283 -1.156 474 HB3 GLU 60 HB1 GLU 60 12.144 9.429 -2.400 475 HG2 GLU 60 HG2 GLU 60 10.753 9.956 -0.632 476 HG3 GLU 60 HG1 GLU 60 9.727 8.999 -1.695 477 H GLU 61 HN GLU 61 9.954 5.958 -1.689 478 HA GLU 61 HA GLU 61 11.564 3.936 -0.590 479 HB2 GLU 61 HB2 GLU 61 9.092 4.588 -0.152 480 HB3 GLU 61 HB1 GLU 61 8.729 3.563 -1.530 481 HG2 GLU 61 HG2 GLU 61 8.389 2.213 0.352 482 HG3 GLU 61 HG1 GLU 61 9.936 1.702 -0.321 483 H MET 62 HN MET 62 9.776 4.246 -3.619 484 HA MET 62 HA MET 62 10.330 1.729 -4.716 485 HB2 MET 62 HB2 MET 62 8.656 3.258 -5.663 486 HB3 MET 62 HB1 MET 62 9.933 4.365 -6.145 487 HG2 MET 62 HG2 MET 62 10.847 2.625 -7.626 488 HG3 MET 62 HG1 MET 62 9.508 1.571 -7.181 489 HE1 MET 62 HE1 MET 62 10.633 4.790 -9.077 490 HE2 MET 62 HE2 MET 62 9.532 5.474 -7.880 491 HE3 MET 62 HE3 MET 62 9.098 5.488 -9.589 492 H LYS 63 HN LYS 63 12.169 4.714 -4.674 493 HA LYS 63 HA LYS 63 14.150 3.943 -6.543 494 HB2 LYS 63 HB2 LYS 63 14.392 5.883 -4.233 495 HB3 LYS 63 HB1 LYS 63 15.490 5.768 -5.597 496 HG2 LYS 63 HG2 LYS 63 12.597 6.595 -5.717 497 HG3 LYS 63 HG1 LYS 63 13.996 7.662 -5.836 498 HD2 LYS 63 HD2 LYS 63 14.700 6.395 -7.863 499 HD3 LYS 63 HD1 LYS 63 13.182 5.501 -7.774 500 HE2 LYS 63 HE2 LYS 63 12.969 7.312 -9.363 501 HE3 LYS 63 HE1 LYS 63 11.948 7.625 -7.961 502 HZ1 LYS 63 HZ1 LYS 63 13.211 9.587 -8.748 503 HZ2 LYS 63 HZ2 LYS 63 14.651 8.798 -8.342 504 HZ3 LYS 63 HZ3 LYS 63 13.533 9.193 -7.136 505 H GLU 64 HN GLU 64 13.517 3.042 -3.311 506 HA GLU 64 HA GLU 64 16.274 2.229 -2.821 507 HB2 GLU 64 HB2 GLU 64 14.711 3.441 -1.122 508 HB3 GLU 64 HB1 GLU 64 14.026 1.839 -0.881 509 HG2 GLU 64 HG2 GLU 64 15.707 2.293 0.789 510 HG3 GLU 64 HG1 GLU 64 16.251 0.997 -0.278 511 H ILE 65 HN ILE 65 13.086 0.956 -3.307 512 HA ILE 65 HA ILE 65 14.053 -1.800 -3.065 513 HB ILE 65 HB ILE 65 11.816 -2.525 -2.957 514 HG12 ILE 65 HG12 ILE 65 11.292 -0.138 -4.547 515 HG13 ILE 65 HG11 ILE 65 10.424 -1.654 -4.485 516 HG21 ILE 65 HG21 ILE 65 12.033 0.108 -1.512 517 HG22 ILE 65 HG22 ILE 65 12.468 -1.491 -0.907 518 HG23 ILE 65 HG23 ILE 65 10.777 -1.092 -1.208 519 HD11 ILE 65 HD11 ILE 65 10.073 0.599 -2.528 520 HD12 ILE 65 HD12 ILE 65 9.175 -0.920 -2.553 521 HD13 ILE 65 HD13 ILE 65 9.003 0.229 -3.879 522 H HIS 66 HN HIS 66 12.395 -3.071 -4.877 523 HA HIS 66 HA HIS 66 13.430 -2.003 -7.424 524 HB2 HIS 66 HB2 HIS 66 14.378 -4.209 -6.679 525 HB3 HIS 66 HB1 HIS 66 12.764 -4.892 -6.846 526 HD1 HIS 66 HD1 HIS 66 14.907 -2.711 -9.100 527 HD2 HIS 66 HD2 HIS 66 12.647 -6.174 -9.218 528 HE1 HIS 66 HE1 HIS 66 14.936 -3.468 -11.474 529 HE2 HIS 66 HE2 HIS 66 13.717 -5.655 -11.499 530 H ALA 67 HN ALA 67 10.597 -2.691 -5.667 531 HA ALA 67 HA ALA 67 8.849 -1.865 -7.704 532 HB1 ALA 67 HB1 ALA 67 9.409 -4.013 -8.734 533 HB2 ALA 67 HB2 ALA 67 7.710 -3.941 -8.268 534 HB3 ALA 67 HB3 ALA 67 8.856 -4.851 -7.285 535 H LEU 68 HN LEU 68 7.152 -1.053 -6.683 536 HA LEU 68 HA LEU 68 6.075 -2.434 -4.342 537 HB2 LEU 68 HB2 LEU 68 5.397 -0.371 -3.441 538 HB3 LEU 68 HB1 LEU 68 7.045 -0.143 -3.987 539 HG LEU 68 HG LEU 68 4.670 0.774 -5.594 540 HD11 LEU 68 HD11 LEU 68 5.110 3.011 -4.697 541 HD12 LEU 68 HD12 LEU 68 6.299 2.325 -3.590 542 HD13 LEU 68 HD13 LEU 68 4.598 1.885 -3.441 543 HD21 LEU 68 HD21 LEU 68 7.605 1.455 -5.662 544 HD22 LEU 68 HD22 LEU 68 6.360 2.282 -6.596 545 HD23 LEU 68 HD23 LEU 68 6.690 0.578 -6.886 546 H SER 69 HN SER 69 4.363 -3.524 -4.913 547 HA SER 69 HA SER 69 2.615 -2.443 -6.995 548 HB2 SER 69 HB2 SER 69 2.768 -5.246 -5.864 549 HB3 SER 69 HB1 SER 69 1.697 -4.722 -7.165 550 HG SER 69 HG SER 69 4.253 -5.503 -7.305 551 H ILE 70 HN ILE 70 1.303 -1.051 -5.949 552 HA ILE 70 HA ILE 70 0.014 -1.789 -3.488 553 HB ILE 70 HB ILE 70 0.461 0.523 -3.631 554 HG12 ILE 70 HG12 ILE 70 -2.452 0.403 -4.404 555 HG13 ILE 70 HG11 ILE 70 -1.877 -0.167 -2.842 556 HG21 ILE 70 HG21 ILE 70 -0.877 0.531 -6.328 557 HG22 ILE 70 HG22 ILE 70 0.846 0.725 -6.002 558 HG23 ILE 70 HG23 ILE 70 -0.297 1.963 -5.478 559 HD11 ILE 70 HD11 ILE 70 -1.569 2.627 -3.914 560 HD12 ILE 70 HD12 ILE 70 -1.027 2.053 -2.338 561 HD13 ILE 70 HD13 ILE 70 -2.748 2.099 -2.715 562 H LYS 71 HN LYS 71 -1.070 -3.587 -3.917 563 HA LYS 71 HA LYS 71 -2.664 -3.962 -6.234 564 HB2 LYS 71 HB2 LYS 71 -3.015 -5.529 -3.691 565 HB3 LYS 71 HB1 LYS 71 -3.176 -6.084 -5.352 566 HG2 LYS 71 HG2 LYS 71 -0.612 -5.333 -3.977 567 HG3 LYS 71 HG1 LYS 71 -1.168 -6.976 -4.305 568 HD2 LYS 71 HD2 LYS 71 -0.631 -4.900 -6.430 569 HD3 LYS 71 HD1 LYS 71 0.530 -6.129 -5.928 570 HE2 LYS 71 HE2 LYS 71 -2.208 -6.702 -7.055 571 HE3 LYS 71 HE1 LYS 71 -0.712 -6.725 -7.987 572 HZ1 LYS 71 HZ1 LYS 71 -1.448 -8.508 -5.737 573 HZ2 LYS 71 HZ2 LYS 71 0.102 -8.450 -6.417 574 HZ3 LYS 71 HZ3 LYS 71 -1.222 -8.938 -7.358 575 H LYS 72 HN LYS 72 -3.157 -2.619 -3.111 576 HA LYS 72 HA LYS 72 -5.914 -2.032 -3.829 577 HB2 LYS 72 HB2 LYS 72 -5.053 -3.604 -1.481 578 HB3 LYS 72 HB1 LYS 72 -6.335 -2.423 -1.235 579 HG2 LYS 72 HG2 LYS 72 -7.571 -3.450 -3.109 580 HG3 LYS 72 HG1 LYS 72 -6.326 -4.700 -3.201 581 HD2 LYS 72 HD2 LYS 72 -6.809 -5.299 -0.847 582 HD3 LYS 72 HD1 LYS 72 -8.117 -4.116 -0.843 583 HE2 LYS 72 HE2 LYS 72 -9.028 -6.315 -1.227 584 HE3 LYS 72 HE1 LYS 72 -9.192 -5.348 -2.691 585 HZ1 LYS 72 HZ1 LYS 72 -8.426 -7.607 -3.152 586 HZ2 LYS 72 HZ2 LYS 72 -7.055 -7.350 -2.200 587 HZ3 LYS 72 HZ3 LYS 72 -7.277 -6.459 -3.618 588 H ALA 73 HN ALA 73 -6.149 -0.051 -3.831 589 HA ALA 73 HA ALA 73 -4.978 1.612 -1.701 590 HB1 ALA 73 HB1 ALA 73 -6.101 2.481 -4.370 591 HB2 ALA 73 HB2 ALA 73 -4.386 2.312 -3.994 592 HB3 ALA 73 HB3 ALA 73 -5.356 3.527 -3.161 593 H GLN 74 HN GLN 74 -6.448 1.369 -0.120 594 HA GLN 74 HA GLN 74 -9.284 1.854 -0.768 595 HB2 GLN 74 HB2 GLN 74 -8.000 0.050 1.276 596 HB3 GLN 74 HB1 GLN 74 -9.717 0.425 1.272 597 HG2 GLN 74 HG2 GLN 74 -10.029 -0.659 -0.817 598 HG3 GLN 74 HG1 GLN 74 -8.291 -0.799 -1.072 599 HE21 GLN 74 HE21 GLN 74 -7.678 -1.612 1.607 600 HE22 GLN 74 HE22 GLN 74 -8.240 -3.237 1.779 601 H THR 75 HN THR 75 -10.428 3.279 0.506 602 HA THR 75 HA THR 75 -8.905 4.605 2.594 603 HB THR 75 HB THR 75 -9.046 6.443 1.376 604 HG1 THR 75 HG1 THR 75 -10.405 7.389 2.672 605 HG21 THR 75 HG21 THR 75 -10.433 6.778 -0.539 606 HG22 THR 75 HG22 THR 75 -11.492 5.455 -0.067 607 HG23 THR 75 HG23 THR 75 -9.840 5.117 -0.582 608 HA PRO 76 HA PRO 76 -11.483 3.429 5.813 609 HB2 PRO 76 HB2 PRO 76 -11.495 6.300 6.600 610 HB3 PRO 76 HB1 PRO 76 -11.094 4.868 7.553 611 HG2 PRO 76 HG2 PRO 76 -9.171 6.434 6.628 612 HG3 PRO 76 HG1 PRO 76 -8.985 4.669 6.612 613 HD2 PRO 76 HD2 PRO 76 -9.595 6.534 4.364 614 HD3 PRO 76 HD1 PRO 76 -8.600 5.065 4.380 615 H GLN 77 HN GLN 77 -12.755 5.595 3.504 616 HA GLN 77 HA GLN 77 -15.279 5.942 4.913 617 HB2 GLN 77 HB2 GLN 77 -15.592 6.621 2.215 618 HB3 GLN 77 HB1 GLN 77 -15.494 7.728 3.580 619 HG2 GLN 77 HG2 GLN 77 -13.636 8.510 2.644 620 HG3 GLN 77 HG1 GLN 77 -12.901 6.926 2.951 621 HE21 GLN 77 HE21 GLN 77 -13.182 5.324 1.539 622 HE22 GLN 77 HE22 GLN 77 -13.225 5.637 -0.150 623 H GLN 78 HN GLN 78 -13.934 4.057 2.283 624 HA GLN 78 HA GLN 78 -16.458 2.615 1.896 625 HB2 GLN 78 HB2 GLN 78 -13.703 1.976 0.839 626 HB3 GLN 78 HB1 GLN 78 -15.190 1.172 0.368 627 HG2 GLN 78 HG2 GLN 78 -15.484 2.638 -1.250 628 HG3 GLN 78 HG1 GLN 78 -15.440 3.974 -0.091 629 HE21 GLN 78 HE21 GLN 78 -12.830 3.409 0.876 630 HE22 GLN 78 HE22 GLN 78 -11.736 3.891 -0.368 631 H TRP 79 HN TRP 79 -13.338 2.390 3.303 632 HA TRP 79 HA TRP 79 -13.632 -0.243 4.371 633 HB2 TRP 79 HB2 TRP 79 -11.578 1.697 4.029 634 HB3 TRP 79 HB1 TRP 79 -11.645 1.255 5.751 635 HD1 TRP 79 HD1 TRP 79 -11.692 -0.591 2.379 636 HE1 TRP 79 HE1 TRP 79 -10.332 -2.739 2.613 637 HE3 TRP 79 HE3 TRP 79 -10.433 -0.218 7.313 638 HZ2 TRP 79 HZ2 TRP 79 -8.885 -4.117 4.621 639 HZ3 TRP 79 HZ3 TRP 79 -9.063 -2.009 8.314 640 HH2 TRP 79 HH2 TRP 79 -8.318 -3.910 6.995 641 H LYS 80 HN LYS 80 -15.174 2.480 4.972 642 HA LYS 80 HA LYS 80 -15.190 3.142 7.567 643 HB2 LYS 80 HB2 LYS 80 -17.184 3.120 5.484 644 HB3 LYS 80 HB1 LYS 80 -17.927 2.865 7.058 645 HG2 LYS 80 HG2 LYS 80 -16.063 5.132 6.396 646 HG3 LYS 80 HG1 LYS 80 -17.823 5.241 6.356 647 HD2 LYS 80 HD2 LYS 80 -16.186 4.524 8.791 648 HD3 LYS 80 HD1 LYS 80 -16.848 6.124 8.453 649 HE2 LYS 80 HE2 LYS 80 -19.113 5.155 8.453 650 HE3 LYS 80 HE1 LYS 80 -18.426 3.585 8.858 651 HZ1 LYS 80 HZ1 LYS 80 -17.589 4.522 10.918 652 HZ2 LYS 80 HZ2 LYS 80 -19.263 4.716 10.815 653 HZ3 LYS 80 HZ3 LYS 80 -18.242 6.032 10.526 654 HA PRO 81 HA PRO 81 -17.563 -0.603 9.226 655 HB2 PRO 81 HB2 PRO 81 -18.134 -2.560 7.210 656 HB3 PRO 81 HB1 PRO 81 -19.279 -1.576 8.118 657 HG2 PRO 81 HG2 PRO 81 -18.824 -1.348 5.409 658 HG3 PRO 81 HG1 PRO 81 -19.500 -0.068 6.429 659 HD2 PRO 81 HD2 PRO 81 -16.701 -0.425 5.435 660 HD3 PRO 81 HD1 PRO 81 -17.656 1.063 5.617 661 HA PRO 82 HA PRO 82 -13.729 -2.990 8.866 662 HB2 PRO 82 HB2 PRO 82 -13.006 -2.739 11.466 663 HB3 PRO 82 HB1 PRO 82 -12.703 -1.491 10.257 664 HG2 PRO 82 HG2 PRO 82 -14.589 -1.485 12.487 665 HG3 PRO 82 HG1 PRO 82 -14.009 -0.130 11.510 666 HD2 PRO 82 HD2 PRO 82 -16.507 -1.588 11.296 667 HD3 PRO 82 HD1 PRO 82 -15.998 -0.120 10.439 668 H SER 83 HN SER 83 -12.907 -4.915 10.113 669 HA SER 83 HA SER 83 -15.014 -6.306 11.599 670 HB2 SER 83 HB2 SER 83 -14.993 -7.124 9.228 671 HB3 SER 83 HB1 SER 83 -13.314 -7.608 9.451 672 HG SER 83 HG SER 83 -14.033 -9.015 11.121 673 H GLN 84 HN GLN 84 -12.843 -4.859 12.534 674 HA GLN 84 HA GLN 84 -11.431 -6.762 14.104 675 HB2 GLN 84 HB2 GLN 84 -9.284 -6.481 13.216 676 HB3 GLN 84 HB1 GLN 84 -10.328 -6.756 11.847 677 HG2 GLN 84 HG2 GLN 84 -10.298 -4.432 11.278 678 HG3 GLN 84 HG1 GLN 84 -9.375 -4.053 12.732 679 HE21 GLN 84 HE21 GLN 84 -9.281 -5.440 9.562 680 HE22 GLN 84 HE22 GLN 84 -7.568 -5.525 9.420 681 H ASP 85 HN ASP 85 -11.951 -3.477 13.068 682 HA ASP 85 HA ASP 85 -10.067 -2.227 14.767 683 HB2 ASP 85 HB2 ASP 85 -10.869 -1.170 12.699 684 HB3 ASP 85 HB1 ASP 85 -12.492 -1.085 13.369 685 H SER 86 HN SER 86 -13.299 -3.200 15.031 686 HA SER 86 HA SER 86 -13.902 -1.628 17.368 687 HB2 SER 86 HB2 SER 86 -15.650 -2.173 15.748 688 HB3 SER 86 HB1 SER 86 -15.408 -3.891 16.041 689 HG SER 86 HG SER 86 -16.791 -2.013 17.497 690 H ALA 87 HN ALA 87 -12.962 -4.940 16.638 691 HA ALA 87 HA ALA 87 -13.307 -5.891 19.294 692 HB1 ALA 87 HB1 ALA 87 -11.683 -7.067 17.051 693 HB2 ALA 87 HB2 ALA 87 -13.382 -7.408 17.376 694 HB3 ALA 87 HB3 ALA 87 -12.147 -7.898 18.535 695 H THR 88 HN THR 88 -11.026 -4.046 17.767 696 HA THR 88 HA THR 88 -8.800 -4.711 19.492 697 HB THR 88 HB THR 88 -9.024 -2.370 17.585 698 HG1 THR 88 HG1 THR 88 -9.352 -4.467 16.568 699 HG21 THR 88 HG21 THR 88 -6.625 -3.824 18.714 700 HG22 THR 88 HG22 THR 88 -7.170 -2.213 19.181 701 HG23 THR 88 HG23 THR 88 -6.572 -2.504 17.548 702 H LEU 89 HN LEU 89 -11.586 -2.955 19.780 703 HA LEU 89 HA LEU 89 -10.429 -0.905 21.527 704 HB2 LEU 89 HB2 LEU 89 -13.260 -1.230 20.507 705 HB3 LEU 89 HB1 LEU 89 -12.690 0.087 21.511 706 HG LEU 89 HG LEU 89 -11.784 -0.489 18.689 707 HD11 LEU 89 HD11 LEU 89 -12.981 1.581 18.147 708 HD12 LEU 89 HD12 LEU 89 -13.564 1.669 19.809 709 HD13 LEU 89 HD13 LEU 89 -14.062 0.334 18.770 710 HD21 LEU 89 HD21 LEU 89 -11.094 1.782 20.552 711 HD22 LEU 89 HD22 LEU 89 -10.641 1.676 18.851 712 HD23 LEU 89 HD23 LEU 89 -10.000 0.510 20.007 713 H THR 90 HN THR 90 -12.171 -3.821 21.375 714 HA THR 90 HA THR 90 -13.309 -3.779 23.984 715 HB THR 90 HB THR 90 -12.563 -6.310 22.545 716 HG1 THR 90 HG1 THR 90 -14.519 -6.047 21.340 717 HG21 THR 90 HG21 THR 90 -14.647 -7.126 23.502 718 HG22 THR 90 HG22 THR 90 -14.993 -5.526 24.161 719 HG23 THR 90 HG23 THR 90 -13.623 -6.452 24.771 720 H LYS 91 HN LYS 91 -10.197 -4.250 22.776 721 HA LYS 91 HA LYS 91 -9.273 -5.428 25.303 722 HB2 LYS 91 HB2 LYS 91 -8.231 -5.704 22.498 723 HB3 LYS 91 HB1 LYS 91 -7.160 -5.939 23.867 724 HG2 LYS 91 HG2 LYS 91 -7.905 -8.076 23.190 725 HG3 LYS 91 HG1 LYS 91 -8.743 -7.695 24.692 726 HD2 LYS 91 HD2 LYS 91 -10.747 -7.116 23.469 727 HD3 LYS 91 HD1 LYS 91 -9.912 -7.353 21.933 728 HE2 LYS 91 HE2 LYS 91 -9.592 -9.711 22.457 729 HE3 LYS 91 HE1 LYS 91 -10.389 -9.487 24.012 730 HZ1 LYS 91 HZ1 LYS 91 -11.861 -10.437 22.322 731 HZ2 LYS 91 HZ2 LYS 91 -11.670 -9.054 21.368 732 HZ3 LYS 91 HZ3 LYS 91 -12.425 -8.944 22.878 733 H ASP 92 HN ASP 92 -9.436 -2.727 23.440 734 HA ASP 92 HA ASP 92 -8.509 -0.658 23.459 735 HB2 ASP 92 HB2 ASP 92 -7.441 -1.585 26.136 736 HB3 ASP 92 HB1 ASP 92 -7.291 0.062 25.534 737 H ALA 93 HN ALA 93 -7.283 -2.318 21.853 738 HA ALA 93 HA ALA 93 -5.414 -2.709 20.650 739 HB1 ALA 93 HB1 ALA 93 -4.123 -0.580 22.354 740 HB2 ALA 93 HB2 ALA 93 -5.027 -0.291 20.868 741 HB3 ALA 93 HB3 ALA 93 -3.520 -1.205 20.817 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 20.112 -2.361 -1.434 2 H2 MET 1 HT2 MET 1 21.700 -2.691 -0.955 3 H3 MET 1 HT3 MET 1 20.823 -1.461 -0.194 4 HA MET 1 HA MET 1 20.145 -4.334 -0.116 5 HB2 MET 1 HB2 MET 1 20.887 -4.302 2.196 6 HB3 MET 1 HB1 MET 1 22.201 -3.787 1.151 7 HG2 MET 1 HG2 MET 1 21.699 -1.444 1.719 8 HG3 MET 1 HG1 MET 1 20.444 -2.004 2.821 9 HE1 MET 1 HE1 MET 1 22.757 -0.045 3.736 10 HE2 MET 1 HE2 MET 1 23.203 -0.759 5.285 11 HE3 MET 1 HE3 MET 1 21.506 -0.653 4.819 12 H VAL 2 HN VAL 2 18.186 -4.811 0.731 13 HA VAL 2 HA VAL 2 16.675 -2.735 2.113 14 HB VAL 2 HB VAL 2 15.923 -3.839 -0.548 15 HG11 VAL 2 HG11 VAL 2 13.767 -2.972 1.369 16 HG12 VAL 2 HG12 VAL 2 14.214 -4.667 1.194 17 HG13 VAL 2 HG13 VAL 2 13.596 -3.778 -0.194 18 HG21 VAL 2 HG21 VAL 2 16.661 -1.510 -0.177 19 HG22 VAL 2 HG22 VAL 2 15.254 -1.275 0.865 20 HG23 VAL 2 HG23 VAL 2 15.034 -1.630 -0.846 21 H THR 3 HN THR 3 15.638 -3.525 3.787 22 HA THR 3 HA THR 3 14.740 -6.309 3.650 23 HB THR 3 HB THR 3 16.186 -6.034 5.545 24 HG1 THR 3 HG1 THR 3 14.773 -7.236 6.535 25 HG21 THR 3 HG21 THR 3 16.087 -3.608 5.777 26 HG22 THR 3 HG22 THR 3 15.744 -4.392 7.318 27 HG23 THR 3 HG23 THR 3 14.427 -3.718 6.358 28 H LYS 4 HN LYS 4 12.622 -6.756 4.067 29 HA LYS 4 HA LYS 4 10.569 -4.927 3.608 30 HB2 LYS 4 HB2 LYS 4 10.272 -7.327 3.315 31 HB3 LYS 4 HB1 LYS 4 10.542 -7.599 5.028 32 HG2 LYS 4 HG2 LYS 4 8.473 -6.274 5.485 33 HG3 LYS 4 HG1 LYS 4 8.183 -6.245 3.743 34 HD2 LYS 4 HD2 LYS 4 8.117 -8.671 3.682 35 HD3 LYS 4 HD1 LYS 4 8.493 -8.746 5.402 36 HE2 LYS 4 HE2 LYS 4 6.027 -7.481 4.221 37 HE3 LYS 4 HE1 LYS 4 6.099 -9.100 4.907 38 HZ1 LYS 4 HZ1 LYS 4 6.427 -6.511 6.315 39 HZ2 LYS 4 HZ2 LYS 4 6.865 -7.991 7.012 40 HZ3 LYS 4 HZ3 LYS 4 5.258 -7.706 6.576 41 H GLU 5 HN GLU 5 12.535 -5.341 6.268 42 HA GLU 5 HA GLU 5 10.725 -4.831 8.387 43 HB2 GLU 5 HB2 GLU 5 13.679 -4.901 8.055 44 HB3 GLU 5 HB1 GLU 5 13.011 -4.192 9.524 45 HG2 GLU 5 HG2 GLU 5 11.894 -6.278 10.043 46 HG3 GLU 5 HG1 GLU 5 12.470 -6.981 8.530 47 H GLN 6 HN GLN 6 12.743 -2.859 6.356 48 HA GLN 6 HA GLN 6 12.044 -0.444 7.757 49 HB2 GLN 6 HB2 GLN 6 13.063 0.711 5.767 50 HB3 GLN 6 HB1 GLN 6 14.146 -0.348 6.651 51 HG2 GLN 6 HG2 GLN 6 14.693 -1.107 4.637 52 HG3 GLN 6 HG1 GLN 6 13.215 -2.038 4.762 53 HE21 GLN 6 HE21 GLN 6 11.370 0.095 4.306 54 HE22 GLN 6 HE22 GLN 6 11.547 0.611 2.670 55 H VAL 7 HN VAL 7 10.775 -2.440 5.278 56 HA VAL 7 HA VAL 7 9.245 -0.439 3.906 57 HB VAL 7 HB VAL 7 8.946 -3.453 4.011 58 HG11 VAL 7 HG11 VAL 7 7.693 -1.462 2.134 59 HG12 VAL 7 HG12 VAL 7 6.859 -2.416 3.358 60 HG13 VAL 7 HG13 VAL 7 7.606 -3.215 1.976 61 HG21 VAL 7 HG21 VAL 7 11.074 -2.747 3.071 62 HG22 VAL 7 HG22 VAL 7 10.240 -1.667 1.953 63 HG23 VAL 7 HG23 VAL 7 10.033 -3.413 1.811 64 H GLU 8 HN GLU 8 8.920 -2.507 6.569 65 HA GLU 8 HA GLU 8 6.208 -2.343 7.182 66 HB2 GLU 8 HB2 GLU 8 8.765 -2.869 8.610 67 HB3 GLU 8 HB1 GLU 8 7.294 -2.661 9.564 68 HG2 GLU 8 HG2 GLU 8 7.931 -4.767 7.519 69 HG3 GLU 8 HG1 GLU 8 7.574 -4.984 9.233 70 H ALA 9 HN ALA 9 8.992 -0.422 8.215 71 HA ALA 9 HA ALA 9 7.363 1.254 9.905 72 HB1 ALA 9 HB1 ALA 9 9.610 0.615 10.618 73 HB2 ALA 9 HB2 ALA 9 9.470 2.366 10.456 74 HB3 ALA 9 HB3 ALA 9 10.294 1.426 9.211 75 H SER 10 HN SER 10 8.589 1.212 6.706 76 HA SER 10 HA SER 10 8.618 4.031 6.224 77 HB2 SER 10 HB2 SER 10 8.245 1.715 4.307 78 HB3 SER 10 HB1 SER 10 8.414 3.392 3.795 79 HG SER 10 HG SER 10 10.431 2.514 3.704 80 H LEU 11 HN LEU 11 6.237 1.550 5.430 81 HA LEU 11 HA LEU 11 4.318 3.382 4.429 82 HB2 LEU 11 HB2 LEU 11 4.236 0.476 5.212 83 HB3 LEU 11 HB1 LEU 11 2.805 1.313 4.648 84 HG LEU 11 HG LEU 11 3.887 -0.018 2.873 85 HD11 LEU 11 HD11 LEU 11 2.566 1.878 2.229 86 HD12 LEU 11 HD12 LEU 11 3.960 1.740 1.161 87 HD13 LEU 11 HD13 LEU 11 3.945 2.956 2.437 88 HD21 LEU 11 HD21 LEU 11 6.235 0.193 3.569 89 HD22 LEU 11 HD22 LEU 11 6.204 1.904 3.146 90 HD23 LEU 11 HD23 LEU 11 6.011 0.684 1.889 91 H THR 12 HN THR 12 4.869 1.916 7.570 92 HA THR 12 HA THR 12 2.424 2.628 8.770 93 HB THR 12 HB THR 12 5.150 2.204 10.011 94 HG1 THR 12 HG1 THR 12 4.548 0.277 9.212 95 HG21 THR 12 HG21 THR 12 3.726 3.473 11.538 96 HG22 THR 12 HG22 THR 12 3.948 1.822 12.119 97 HG23 THR 12 HG23 THR 12 2.437 2.287 11.338 98 H SER 13 HN SER 13 5.208 4.500 7.985 99 HA SER 13 HA SER 13 4.595 6.536 9.985 100 HB2 SER 13 HB2 SER 13 6.897 6.307 8.049 101 HB3 SER 13 HB1 SER 13 6.734 7.547 9.294 102 HG SER 13 HG SER 13 7.343 4.826 9.536 103 H LYS 14 HN LYS 14 4.669 6.095 6.494 104 HA LYS 14 HA LYS 14 4.174 8.926 6.055 105 HB2 LYS 14 HB2 LYS 14 4.404 6.742 3.984 106 HB3 LYS 14 HB1 LYS 14 4.595 8.473 3.739 107 HG2 LYS 14 HG2 LYS 14 6.451 6.695 5.308 108 HG3 LYS 14 HG1 LYS 14 6.737 7.319 3.684 109 HD2 LYS 14 HD2 LYS 14 6.842 9.568 4.498 110 HD3 LYS 14 HD1 LYS 14 6.316 9.064 6.105 111 HE2 LYS 14 HE2 LYS 14 8.717 9.462 6.066 112 HE3 LYS 14 HE1 LYS 14 8.365 7.763 6.374 113 HZ1 LYS 14 HZ1 LYS 14 9.210 8.930 3.777 114 HZ2 LYS 14 HZ2 LYS 14 8.824 7.304 4.031 115 HZ3 LYS 14 HZ3 LYS 14 10.163 7.984 4.806 116 H LEU 15 HN LEU 15 2.550 5.926 6.248 117 HA LEU 15 HA LEU 15 0.191 7.069 4.896 118 HB2 LEU 15 HB2 LEU 15 1.113 4.209 5.063 119 HB3 LEU 15 HB1 LEU 15 -0.416 4.724 4.351 120 HG LEU 15 HG LEU 15 2.375 5.147 3.335 121 HD11 LEU 15 HD11 LEU 15 -0.139 4.157 2.014 122 HD12 LEU 15 HD12 LEU 15 1.139 3.141 2.677 123 HD13 LEU 15 HD13 LEU 15 1.478 4.200 1.310 124 HD21 LEU 15 HD21 LEU 15 1.436 7.334 3.217 125 HD22 LEU 15 HD22 LEU 15 -0.087 6.711 2.577 126 HD23 LEU 15 HD23 LEU 15 1.381 6.634 1.598 127 H LYS 16 HN LYS 16 1.443 5.874 7.764 128 HA LYS 16 HA LYS 16 0.599 5.798 9.847 129 HB2 LYS 16 HB2 LYS 16 -2.023 6.575 8.559 130 HB3 LYS 16 HB1 LYS 16 -1.756 6.463 10.293 131 HG2 LYS 16 HG2 LYS 16 -0.171 8.261 10.225 132 HG3 LYS 16 HG1 LYS 16 -0.227 8.302 8.463 133 HD2 LYS 16 HD2 LYS 16 -1.557 10.105 9.460 134 HD3 LYS 16 HD1 LYS 16 -2.559 8.988 8.535 135 HE2 LYS 16 HE2 LYS 16 -3.277 7.895 10.576 136 HE3 LYS 16 HE1 LYS 16 -2.210 8.925 11.530 137 HZ1 LYS 16 HZ1 LYS 16 -4.576 9.628 11.499 138 HZ2 LYS 16 HZ2 LYS 16 -4.424 9.965 9.845 139 HZ3 LYS 16 HZ3 LYS 16 -3.500 10.819 10.974 140 HA PRO 17 HA PRO 17 -0.509 1.575 9.976 141 HB2 PRO 17 HB2 PRO 17 -0.991 1.275 12.619 142 HB3 PRO 17 HB1 PRO 17 0.628 1.522 11.964 143 HG2 PRO 17 HG2 PRO 17 -1.220 3.497 13.235 144 HG3 PRO 17 HG1 PRO 17 0.527 3.296 13.457 145 HD2 PRO 17 HD2 PRO 17 -0.552 5.210 11.860 146 HD3 PRO 17 HD1 PRO 17 1.031 4.470 11.549 147 H ILE 18 HN ILE 18 -2.604 2.614 8.822 148 HA ILE 18 HA ILE 18 -5.000 2.052 10.397 149 HB ILE 18 HB ILE 18 -4.864 2.634 7.443 150 HG12 ILE 18 HG12 ILE 18 -3.729 4.451 8.667 151 HG13 ILE 18 HG11 ILE 18 -5.245 4.996 7.964 152 HG21 ILE 18 HG21 ILE 18 -7.069 2.989 9.473 153 HG22 ILE 18 HG22 ILE 18 -6.973 1.721 8.251 154 HG23 ILE 18 HG23 ILE 18 -7.171 3.404 7.762 155 HD11 ILE 18 HD11 ILE 18 -4.941 5.902 10.183 156 HD12 ILE 18 HD12 ILE 18 -4.785 4.276 10.848 157 HD13 ILE 18 HD13 ILE 18 -6.318 4.801 10.151 158 H HIS 19 HN HIS 19 -4.352 1.101 7.056 159 HA HIS 19 HA HIS 19 -4.212 -1.716 7.848 160 HB2 HIS 19 HB2 HIS 19 -6.520 -1.371 7.052 161 HB3 HIS 19 HB1 HIS 19 -5.905 -0.653 5.573 162 HD1 HIS 19 HD1 HIS 19 -6.344 -3.952 7.277 163 HD2 HIS 19 HD2 HIS 19 -5.033 -2.464 3.624 164 HE1 HIS 19 HE1 HIS 19 -6.221 -5.932 5.736 165 HE2 HIS 19 HE2 HIS 19 -5.217 -5.042 3.611 166 H LEU 20 HN LEU 20 -2.107 -1.875 7.450 167 HA LEU 20 HA LEU 20 -1.181 -1.278 4.711 168 HB2 LEU 20 HB2 LEU 20 0.670 -1.284 7.068 169 HB3 LEU 20 HB1 LEU 20 0.858 -0.481 5.524 170 HG LEU 20 HG LEU 20 -1.121 0.386 7.629 171 HD11 LEU 20 HD11 LEU 20 1.642 1.422 7.039 172 HD12 LEU 20 HD12 LEU 20 1.128 0.579 8.501 173 HD13 LEU 20 HD13 LEU 20 0.474 2.174 8.125 174 HD21 LEU 20 HD21 LEU 20 -0.065 1.753 5.157 175 HD22 LEU 20 HD22 LEU 20 -1.144 2.477 6.350 176 HD23 LEU 20 HD23 LEU 20 -1.693 1.110 5.381 177 H GLU 21 HN GLU 21 -0.674 -3.127 3.703 178 HA GLU 21 HA GLU 21 0.692 -5.213 5.205 179 HB2 GLU 21 HB2 GLU 21 -1.714 -5.699 3.439 180 HB3 GLU 21 HB1 GLU 21 -0.654 -6.962 4.044 181 HG2 GLU 21 HG2 GLU 21 -1.252 -5.966 6.371 182 HG3 GLU 21 HG1 GLU 21 -2.634 -5.288 5.508 183 H VAL 22 HN VAL 22 2.570 -4.831 4.215 184 HA VAL 22 HA VAL 22 2.638 -5.171 1.294 185 HB VAL 22 HB VAL 22 5.169 -4.507 2.558 186 HG11 VAL 22 HG11 VAL 22 3.595 -3.380 0.294 187 HG12 VAL 22 HG12 VAL 22 5.000 -4.436 0.223 188 HG13 VAL 22 HG13 VAL 22 5.175 -2.773 0.780 189 HG21 VAL 22 HG21 VAL 22 3.958 -3.208 4.120 190 HG22 VAL 22 HG22 VAL 22 2.861 -2.616 2.877 191 HG23 VAL 22 HG23 VAL 22 4.542 -2.080 2.896 192 H ILE 23 HN ILE 23 3.587 -6.958 0.470 193 HA ILE 23 HA ILE 23 4.890 -8.798 2.306 194 HB ILE 23 HB ILE 23 2.779 -9.686 0.339 195 HG12 ILE 23 HG12 ILE 23 1.672 -10.339 2.691 196 HG13 ILE 23 HG11 ILE 23 2.548 -8.896 3.196 197 HG21 ILE 23 HG21 ILE 23 4.497 -11.335 0.806 198 HG22 ILE 23 HG22 ILE 23 2.953 -11.832 1.497 199 HG23 ILE 23 HG23 ILE 23 4.211 -11.163 2.537 200 HD11 ILE 23 HD11 ILE 23 1.393 -7.595 1.494 201 HD12 ILE 23 HD12 ILE 23 0.255 -8.381 2.588 202 HD13 ILE 23 HD13 ILE 23 0.525 -9.040 0.976 203 H ASP 24 HN ASP 24 6.786 -8.963 1.454 204 HA ASP 24 HA ASP 24 7.634 -8.721 -1.150 205 HB2 ASP 24 HB2 ASP 24 9.356 -8.922 0.453 206 HB3 ASP 24 HB1 ASP 24 8.711 -10.438 1.079 207 H ILE 25 HN ILE 25 7.245 -9.756 -2.890 208 HA ILE 25 HA ILE 25 6.399 -12.573 -2.744 209 HB ILE 25 HB ILE 25 5.191 -12.054 -4.950 210 HG12 ILE 25 HG12 ILE 25 4.330 -9.671 -5.016 211 HG13 ILE 25 HG11 ILE 25 5.599 -9.264 -3.872 212 HG21 ILE 25 HG21 ILE 25 3.179 -11.321 -3.763 213 HG22 ILE 25 HG22 ILE 25 4.167 -10.900 -2.364 214 HG23 ILE 25 HG23 ILE 25 4.042 -12.581 -2.880 215 HD11 ILE 25 HD11 ILE 25 6.002 -10.343 -6.648 216 HD12 ILE 25 HD12 ILE 25 7.280 -9.935 -5.503 217 HD13 ILE 25 HD13 ILE 25 6.222 -8.672 -6.131 218 H SER 26 HN SER 26 8.963 -10.846 -3.365 219 HA SER 26 HA SER 26 9.541 -11.918 -6.022 220 HB2 SER 26 HB2 SER 26 11.437 -10.355 -6.040 221 HB3 SER 26 HB1 SER 26 9.943 -9.513 -5.649 222 HG SER 26 HG SER 26 10.578 -9.711 -3.399 223 H GLY 27 HN GLY 27 10.903 -11.817 -2.736 224 HA2 GLY 27 HA2 GLY 27 11.870 -13.772 -1.717 225 HA3 GLY 27 HA1 GLY 27 12.261 -14.377 -3.327 226 H GLY 28 HN GLY 28 13.140 -11.892 -4.295 227 HA2 GLY 28 HA2 GLY 28 15.793 -11.619 -3.214 228 HA3 GLY 28 HA1 GLY 28 15.097 -10.731 -4.568 229 H CYS 29 HN CYS 29 14.061 -11.117 -1.288 230 HA CYS 29 HA CYS 29 12.286 -9.174 -0.956 231 HB2 CYS 29 HB2 CYS 29 12.704 -11.182 0.463 232 HB3 CYS 29 HB1 CYS 29 14.003 -10.291 1.241 233 HG CYS 29 HG CYS 29 10.753 -10.228 1.845 234 H GLY 30 HN GLY 30 15.151 -8.275 -1.621 235 HA2 GLY 30 HA2 GLY 30 15.028 -5.787 -0.171 236 HA3 GLY 30 HA1 GLY 30 16.147 -6.230 -1.469 237 H SER 31 HN SER 31 13.607 -7.555 -2.416 238 HA SER 31 HA SER 31 13.195 -5.566 -4.436 239 HB2 SER 31 HB2 SER 31 14.346 -7.674 -5.033 240 HB3 SER 31 HB1 SER 31 12.892 -8.539 -4.584 241 HG SER 31 HG SER 31 12.584 -8.297 -6.687 242 H SER 32 HN SER 32 11.188 -6.562 -5.797 243 HA SER 32 HA SER 32 9.276 -4.826 -5.131 244 HB2 SER 32 HB2 SER 32 7.707 -6.238 -6.511 245 HB3 SER 32 HB1 SER 32 9.267 -5.895 -7.260 246 HG SER 32 HG SER 32 8.803 -8.242 -5.760 247 H PHE 33 HN PHE 33 7.933 -4.491 -3.571 248 HA PHE 33 HA PHE 33 6.848 -6.768 -2.043 249 HB2 PHE 33 HB2 PHE 33 7.078 -3.910 -1.093 250 HB3 PHE 33 HB1 PHE 33 6.680 -5.333 -0.134 251 HD1 PHE 33 HD2 PHE 33 8.377 -7.051 0.262 252 HD2 PHE 33 HD1 PHE 33 9.304 -3.305 -1.505 253 HE1 PHE 33 HE2 PHE 33 10.774 -7.398 0.775 254 HE2 PHE 33 HE1 PHE 33 11.685 -3.647 -1.031 255 HZ PHE 33 HZ PHE 33 12.434 -5.690 0.096 256 H GLU 34 HN GLU 34 4.647 -6.819 -1.669 257 HA GLU 34 HA GLU 34 3.063 -4.976 -3.353 258 HB2 GLU 34 HB2 GLU 34 2.219 -7.633 -2.197 259 HB3 GLU 34 HB1 GLU 34 1.376 -6.686 -3.414 260 HG2 GLU 34 HG2 GLU 34 4.128 -7.794 -3.846 261 HG3 GLU 34 HG1 GLU 34 2.663 -8.699 -4.224 262 H VAL 35 HN VAL 35 2.395 -3.305 -2.129 263 HA VAL 35 HA VAL 35 1.451 -3.740 0.576 264 HB VAL 35 HB VAL 35 2.841 -1.748 0.032 265 HG11 VAL 35 HG11 VAL 35 0.393 -0.771 -1.425 266 HG12 VAL 35 HG12 VAL 35 1.907 -1.263 -2.186 267 HG13 VAL 35 HG13 VAL 35 1.869 0.145 -1.125 268 HG21 VAL 35 HG21 VAL 35 1.440 -1.758 2.009 269 HG22 VAL 35 HG22 VAL 35 0.076 -1.171 1.063 270 HG23 VAL 35 HG23 VAL 35 1.491 -0.145 1.302 271 H GLU 36 HN GLU 36 -0.595 -3.785 1.235 272 HA GLU 36 HA GLU 36 -2.698 -2.709 -0.531 273 HB2 GLU 36 HB2 GLU 36 -3.018 -4.790 1.646 274 HB3 GLU 36 HB1 GLU 36 -4.271 -4.220 0.552 275 HG2 GLU 36 HG2 GLU 36 -3.014 -5.167 -1.339 276 HG3 GLU 36 HG1 GLU 36 -1.820 -5.786 -0.199 277 H VAL 37 HN VAL 37 -3.166 -0.702 0.203 278 HA VAL 37 HA VAL 37 -3.005 -0.237 3.071 279 HB VAL 37 HB VAL 37 -2.766 2.200 2.208 280 HG11 VAL 37 HG11 VAL 37 -0.281 1.883 2.133 281 HG12 VAL 37 HG12 VAL 37 -0.580 0.149 2.219 282 HG13 VAL 37 HG13 VAL 37 -1.081 1.194 3.541 283 HG21 VAL 37 HG21 VAL 37 -1.542 2.414 0.154 284 HG22 VAL 37 HG22 VAL 37 -3.115 1.666 -0.125 285 HG23 VAL 37 HG23 VAL 37 -1.654 0.676 -0.110 286 H VAL 38 HN VAL 38 -4.349 1.101 4.005 287 HA VAL 38 HA VAL 38 -6.619 2.247 2.564 288 HB VAL 38 HB VAL 38 -6.851 0.816 5.227 289 HG11 VAL 38 HG11 VAL 38 -8.948 2.198 3.570 290 HG12 VAL 38 HG12 VAL 38 -8.304 2.744 5.120 291 HG13 VAL 38 HG13 VAL 38 -9.251 1.258 5.032 292 HG21 VAL 38 HG21 VAL 38 -8.296 -0.774 4.057 293 HG22 VAL 38 HG22 VAL 38 -6.666 -0.769 3.384 294 HG23 VAL 38 HG23 VAL 38 -7.973 0.056 2.535 295 H SER 39 HN SER 39 -5.951 4.329 2.745 296 HA SER 39 HA SER 39 -5.333 5.316 5.425 297 HB2 SER 39 HB2 SER 39 -3.204 4.741 4.280 298 HB3 SER 39 HB1 SER 39 -3.631 5.852 2.979 299 HG SER 39 HG SER 39 -2.679 6.362 5.519 300 H GLU 40 HN GLU 40 -5.379 7.641 5.564 301 HA GLU 40 HA GLU 40 -7.738 8.701 4.439 302 HB2 GLU 40 HB2 GLU 40 -7.130 10.741 5.656 303 HB3 GLU 40 HB1 GLU 40 -6.942 9.303 6.648 304 HG2 GLU 40 HG2 GLU 40 -4.543 9.327 6.264 305 HG3 GLU 40 HG1 GLU 40 -4.717 10.755 5.246 306 H GLN 41 HN GLN 41 -4.933 8.272 2.883 307 HA GLN 41 HA GLN 41 -4.862 10.863 1.529 308 HB2 GLN 41 HB2 GLN 41 -3.048 8.497 1.601 309 HB3 GLN 41 HB1 GLN 41 -3.036 9.494 0.154 310 HG2 GLN 41 HG2 GLN 41 -1.296 10.242 1.601 311 HG3 GLN 41 HG1 GLN 41 -2.558 11.469 1.571 312 HE21 GLN 41 HE21 GLN 41 -2.702 8.472 3.389 313 HE22 GLN 41 HE22 GLN 41 -2.638 9.198 4.946 314 H PHE 42 HN PHE 42 -6.647 8.286 1.499 315 HA PHE 42 HA PHE 42 -7.147 8.349 -1.394 316 HB2 PHE 42 HB2 PHE 42 -7.676 6.125 0.592 317 HB3 PHE 42 HB1 PHE 42 -7.951 6.041 -1.148 318 HD1 PHE 42 HD2 PHE 42 -5.354 7.474 -1.945 319 HD2 PHE 42 HD1 PHE 42 -6.176 4.325 0.804 320 HE1 PHE 42 HE2 PHE 42 -3.055 6.636 -2.236 321 HE2 PHE 42 HE1 PHE 42 -3.886 3.491 0.537 322 HZ PHE 42 HZ PHE 42 -2.326 4.634 -0.976 323 H GLU 43 HN GLU 43 -8.098 10.126 0.722 324 HA GLU 43 HA GLU 43 -10.726 9.136 1.530 325 HB2 GLU 43 HB2 GLU 43 -9.209 10.186 3.192 326 HB3 GLU 43 HB1 GLU 43 -9.316 11.697 2.300 327 HG2 GLU 43 HG2 GLU 43 -10.771 11.772 4.210 328 HG3 GLU 43 HG1 GLU 43 -11.733 11.760 2.733 329 H GLY 44 HN GLY 44 -12.363 9.431 0.218 330 HA2 GLY 44 HA2 GLY 44 -13.742 10.330 -1.380 331 HA3 GLY 44 HA1 GLY 44 -13.233 11.906 -0.777 332 H LYS 45 HN LYS 45 -10.888 9.679 -1.923 333 HA LYS 45 HA LYS 45 -10.236 11.521 -4.093 334 HB2 LYS 45 HB2 LYS 45 -8.568 9.422 -2.706 335 HB3 LYS 45 HB1 LYS 45 -7.994 10.516 -3.920 336 HG2 LYS 45 HG2 LYS 45 -8.958 11.298 -1.195 337 HG3 LYS 45 HG1 LYS 45 -7.290 11.322 -1.779 338 HD2 LYS 45 HD2 LYS 45 -7.955 12.981 -3.492 339 HD3 LYS 45 HD1 LYS 45 -9.580 12.997 -2.812 340 HE2 LYS 45 HE2 LYS 45 -8.393 14.888 -1.961 341 HE3 LYS 45 HE1 LYS 45 -8.598 13.732 -0.648 342 HZ1 LYS 45 HZ1 LYS 45 -6.363 14.706 -0.739 343 HZ2 LYS 45 HZ2 LYS 45 -6.130 14.025 -2.269 344 HZ3 LYS 45 HZ3 LYS 45 -6.336 13.026 -0.921 345 H ARG 46 HN ARG 46 -9.313 10.529 -6.038 346 HA ARG 46 HA ARG 46 -10.717 8.045 -6.699 347 HB2 ARG 46 HB2 ARG 46 -9.486 10.120 -8.523 348 HB3 ARG 46 HB1 ARG 46 -10.384 8.704 -9.042 349 HG2 ARG 46 HG2 ARG 46 -11.476 11.011 -7.450 350 HG3 ARG 46 HG1 ARG 46 -11.758 10.696 -9.162 351 HD2 ARG 46 HD2 ARG 46 -12.847 8.570 -8.565 352 HD3 ARG 46 HD1 ARG 46 -12.608 8.940 -6.859 353 HE ARG 46 HE ARG 46 -13.953 11.103 -7.796 354 HH11 ARG 46 HH11 ARG 46 -14.554 7.654 -7.933 355 HH12 ARG 46 HH12 ARG 46 -16.278 7.831 -7.956 356 HH21 ARG 46 HH21 ARG 46 -16.222 11.329 -7.831 357 HH22 ARG 46 HH22 ARG 46 -17.226 9.917 -7.896 358 H LEU 47 HN LEU 47 -9.693 6.314 -7.251 359 HA LEU 47 HA LEU 47 -7.398 5.391 -6.361 360 HB2 LEU 47 HB2 LEU 47 -8.721 4.717 -8.954 361 HB3 LEU 47 HB1 LEU 47 -7.300 3.851 -8.405 362 HG LEU 47 HG LEU 47 -9.853 4.046 -6.808 363 HD11 LEU 47 HD11 LEU 47 -8.878 1.834 -8.611 364 HD12 LEU 47 HD12 LEU 47 -10.278 2.870 -8.896 365 HD13 LEU 47 HD13 LEU 47 -10.273 1.748 -7.537 366 HD21 LEU 47 HD21 LEU 47 -7.442 2.252 -6.562 367 HD22 LEU 47 HD22 LEU 47 -8.893 2.177 -5.563 368 HD23 LEU 47 HD23 LEU 47 -7.845 3.592 -5.492 369 H LEU 48 HN LEU 48 -7.549 7.214 -9.336 370 HA LEU 48 HA LEU 48 -4.923 6.637 -10.221 371 HB2 LEU 48 HB2 LEU 48 -6.700 8.999 -10.859 372 HB3 LEU 48 HB1 LEU 48 -5.221 8.604 -11.709 373 HG LEU 48 HG LEU 48 -6.905 7.841 -13.120 374 HD11 LEU 48 HD11 LEU 48 -6.133 5.448 -11.469 375 HD12 LEU 48 HD12 LEU 48 -5.183 6.161 -12.771 376 HD13 LEU 48 HD13 LEU 48 -6.744 5.422 -13.123 377 HD21 LEU 48 HD21 LEU 48 -8.295 6.589 -10.759 378 HD22 LEU 48 HD22 LEU 48 -8.847 6.562 -12.432 379 HD23 LEU 48 HD23 LEU 48 -8.769 8.089 -11.554 380 H GLU 49 HN GLU 49 -6.346 9.472 -8.684 381 HA GLU 49 HA GLU 49 -3.929 10.853 -8.189 382 HB2 GLU 49 HB2 GLU 49 -6.169 11.244 -6.291 383 HB3 GLU 49 HB1 GLU 49 -5.257 12.434 -7.206 384 HG2 GLU 49 HG2 GLU 49 -7.448 10.686 -8.316 385 HG3 GLU 49 HG1 GLU 49 -7.626 12.369 -7.823 386 H ARG 50 HN ARG 50 -5.784 8.439 -6.546 387 HA ARG 50 HA ARG 50 -4.651 8.473 -3.999 388 HB2 ARG 50 HB2 ARG 50 -5.872 6.307 -5.699 389 HB3 ARG 50 HB1 ARG 50 -5.291 5.974 -4.063 390 HG2 ARG 50 HG2 ARG 50 -6.851 7.795 -3.279 391 HG3 ARG 50 HG1 ARG 50 -7.523 7.804 -4.910 392 HD2 ARG 50 HD2 ARG 50 -7.928 5.332 -4.631 393 HD3 ARG 50 HD1 ARG 50 -7.499 5.526 -2.940 394 HE ARG 50 HE ARG 50 -9.474 7.390 -3.500 395 HH11 ARG 50 HH11 ARG 50 -9.139 3.902 -3.387 396 HH12 ARG 50 HH12 ARG 50 -10.831 3.632 -3.112 397 HH21 ARG 50 HH21 ARG 50 -11.682 7.035 -3.108 398 HH22 ARG 50 HH22 ARG 50 -12.275 5.411 -2.927 399 H HIS 51 HN HIS 51 -3.785 6.571 -6.874 400 HA HIS 51 HA HIS 51 -1.621 5.251 -5.584 401 HB2 HIS 51 HB2 HIS 51 -2.216 5.570 -8.533 402 HB3 HIS 51 HB1 HIS 51 -0.968 4.521 -7.880 403 HD1 HIS 51 HD1 HIS 51 -3.748 3.877 -9.527 404 HD2 HIS 51 HD2 HIS 51 -2.795 3.014 -5.592 405 HE1 HIS 51 HE1 HIS 51 -5.206 1.949 -8.864 406 HE2 HIS 51 HE2 HIS 51 -4.434 1.299 -6.579 407 H ARG 52 HN ARG 52 -1.879 8.106 -7.600 408 HA ARG 52 HA ARG 52 0.928 8.306 -8.040 409 HB2 ARG 52 HB2 ARG 52 -0.776 9.283 -9.570 410 HB3 ARG 52 HB1 ARG 52 -1.180 10.455 -8.323 411 HG2 ARG 52 HG2 ARG 52 1.067 11.368 -8.422 412 HG3 ARG 52 HG1 ARG 52 1.519 10.163 -9.626 413 HD2 ARG 52 HD2 ARG 52 1.036 12.279 -10.699 414 HD3 ARG 52 HD1 ARG 52 -0.170 11.078 -11.151 415 HE ARG 52 HE ARG 52 -1.024 12.609 -8.913 416 HH11 ARG 52 HH11 ARG 52 -0.628 12.758 -12.385 417 HH12 ARG 52 HH12 ARG 52 -1.916 13.899 -12.615 418 HH21 ARG 52 HH21 ARG 52 -2.715 14.120 -9.205 419 HH22 ARG 52 HH22 ARG 52 -3.117 14.657 -10.806 420 H MET 53 HN MET 53 -1.061 8.953 -5.370 421 HA MET 53 HA MET 53 0.738 11.092 -4.482 422 HB2 MET 53 HB2 MET 53 -1.792 11.313 -4.336 423 HB3 MET 53 HB1 MET 53 -1.719 10.144 -3.023 424 HG2 MET 53 HG2 MET 53 -0.550 11.583 -1.623 425 HG3 MET 53 HG1 MET 53 -0.029 12.612 -2.954 426 HE1 MET 53 HE1 MET 53 -3.645 11.212 -2.299 427 HE2 MET 53 HE2 MET 53 -4.352 12.516 -1.346 428 HE3 MET 53 HE3 MET 53 -3.042 11.545 -0.675 429 H VAL 54 HN VAL 54 -0.306 7.859 -3.765 430 HA VAL 54 HA VAL 54 1.164 7.566 -1.355 431 HB VAL 54 HB VAL 54 -0.648 6.040 -2.784 432 HG11 VAL 54 HG11 VAL 54 0.337 3.850 -3.105 433 HG12 VAL 54 HG12 VAL 54 1.918 4.476 -2.636 434 HG13 VAL 54 HG13 VAL 54 1.148 5.048 -4.118 435 HG21 VAL 54 HG21 VAL 54 -0.392 4.439 -0.868 436 HG22 VAL 54 HG22 VAL 54 -0.627 6.126 -0.415 437 HG23 VAL 54 HG23 VAL 54 0.982 5.410 -0.342 438 H ASN 55 HN ASN 55 1.831 6.906 -4.752 439 HA ASN 55 HA ASN 55 4.403 5.797 -4.141 440 HB2 ASN 55 HB2 ASN 55 4.677 5.340 -6.368 441 HB3 ASN 55 HB1 ASN 55 2.927 5.276 -6.233 442 HD21 ASN 55 HD21 ASN 55 2.553 8.099 -6.121 443 HD22 ASN 55 HD22 ASN 55 2.988 8.770 -7.655 444 H ALA 56 HN ALA 56 3.140 8.898 -4.468 445 HA ALA 56 HA ALA 56 5.451 10.287 -5.280 446 HB1 ALA 56 HB1 ALA 56 3.275 11.397 -5.035 447 HB2 ALA 56 HB2 ALA 56 4.525 12.219 -4.102 448 HB3 ALA 56 HB3 ALA 56 3.360 11.175 -3.288 449 H ALA 57 HN ALA 57 4.327 9.100 -2.184 450 HA ALA 57 HA ALA 57 6.732 9.974 -0.789 451 HB1 ALA 57 HB1 ALA 57 4.251 8.539 0.151 452 HB2 ALA 57 HB2 ALA 57 4.595 10.261 0.322 453 HB3 ALA 57 HB3 ALA 57 5.566 9.077 1.200 454 H LEU 58 HN LEU 58 6.085 7.564 -2.790 455 HA LEU 58 HA LEU 58 7.623 5.560 -1.300 456 HB2 LEU 58 HB2 LEU 58 4.932 5.368 -2.017 457 HB3 LEU 58 HB1 LEU 58 5.777 4.404 -3.210 458 HG LEU 58 HG LEU 58 6.794 3.069 -1.407 459 HD11 LEU 58 HD11 LEU 58 6.818 4.745 0.357 460 HD12 LEU 58 HD12 LEU 58 5.954 3.303 0.886 461 HD13 LEU 58 HD13 LEU 58 5.056 4.743 0.404 462 HD21 LEU 58 HD21 LEU 58 4.759 1.894 -0.743 463 HD22 LEU 58 HD22 LEU 58 4.711 2.346 -2.448 464 HD23 LEU 58 HD23 LEU 58 3.789 3.273 -1.263 465 H GLU 59 HN GLU 59 7.555 7.566 -3.834 466 HA GLU 59 HA GLU 59 8.471 5.887 -5.962 467 HB2 GLU 59 HB2 GLU 59 7.417 8.032 -6.459 468 HB3 GLU 59 HB1 GLU 59 8.637 8.881 -5.507 469 HG2 GLU 59 HG2 GLU 59 8.896 9.060 -7.974 470 HG3 GLU 59 HG1 GLU 59 10.316 8.477 -7.115 471 H GLU 60 HN GLU 60 9.886 7.719 -3.413 472 HA GLU 60 HA GLU 60 12.625 7.411 -4.194 473 HB2 GLU 60 HB2 GLU 60 11.687 7.946 -1.391 474 HB3 GLU 60 HB1 GLU 60 13.074 8.622 -2.240 475 HG2 GLU 60 HG2 GLU 60 10.192 9.246 -2.882 476 HG3 GLU 60 HG1 GLU 60 11.249 10.251 -1.873 477 H GLU 61 HN GLU 61 10.277 5.879 -2.194 478 HA GLU 61 HA GLU 61 11.861 3.992 -0.855 479 HB2 GLU 61 HB2 GLU 61 9.353 4.681 -0.591 480 HB3 GLU 61 HB1 GLU 61 9.063 3.443 -1.802 481 HG2 GLU 61 HG2 GLU 61 8.693 2.463 0.322 482 HG3 GLU 61 HG1 GLU 61 10.204 1.808 -0.307 483 H MET 62 HN MET 62 10.113 3.931 -3.935 484 HA MET 62 HA MET 62 10.732 1.279 -4.640 485 HB2 MET 62 HB2 MET 62 9.953 3.662 -6.309 486 HB3 MET 62 HB1 MET 62 10.206 2.061 -6.992 487 HG2 MET 62 HG2 MET 62 8.457 1.173 -5.519 488 HG3 MET 62 HG1 MET 62 8.185 2.794 -4.887 489 HE1 MET 62 HE1 MET 62 8.980 1.784 -8.624 490 HE2 MET 62 HE2 MET 62 7.350 1.560 -9.256 491 HE3 MET 62 HE3 MET 62 7.977 0.461 -8.029 492 H LYS 63 HN LYS 63 12.470 4.272 -5.002 493 HA LYS 63 HA LYS 63 14.377 3.355 -6.882 494 HB2 LYS 63 HB2 LYS 63 14.509 5.570 -4.838 495 HB3 LYS 63 HB1 LYS 63 15.771 5.264 -6.021 496 HG2 LYS 63 HG2 LYS 63 14.145 5.658 -7.823 497 HG3 LYS 63 HG1 LYS 63 12.921 6.036 -6.606 498 HD2 LYS 63 HD2 LYS 63 14.308 7.875 -5.784 499 HD3 LYS 63 HD1 LYS 63 15.536 7.496 -6.991 500 HE2 LYS 63 HE2 LYS 63 14.194 9.361 -7.737 501 HE3 LYS 63 HE1 LYS 63 13.899 7.961 -8.767 502 HZ1 LYS 63 HZ1 LYS 63 11.859 9.127 -8.165 503 HZ2 LYS 63 HZ2 LYS 63 12.150 8.828 -6.523 504 HZ3 LYS 63 HZ3 LYS 63 11.856 7.536 -7.588 505 H GLU 64 HN GLU 64 13.907 2.574 -3.593 506 HA GLU 64 HA GLU 64 16.770 1.927 -3.292 507 HB2 GLU 64 HB2 GLU 64 15.571 3.394 -1.570 508 HB3 GLU 64 HB1 GLU 64 14.733 1.930 -1.074 509 HG2 GLU 64 HG2 GLU 64 16.733 0.909 -0.356 510 HG3 GLU 64 HG1 GLU 64 17.727 2.129 -1.151 511 H ILE 65 HN ILE 65 13.575 0.673 -3.332 512 HA ILE 65 HA ILE 65 14.452 -2.082 -2.846 513 HB ILE 65 HB ILE 65 11.985 -2.520 -2.962 514 HG12 ILE 65 HG12 ILE 65 11.966 0.475 -3.271 515 HG13 ILE 65 HG11 ILE 65 11.486 -0.690 -4.486 516 HG21 ILE 65 HG21 ILE 65 12.780 -0.320 -1.036 517 HG22 ILE 65 HG22 ILE 65 13.065 -2.038 -0.789 518 HG23 ILE 65 HG23 ILE 65 11.417 -1.420 -0.840 519 HD11 ILE 65 HD11 ILE 65 9.577 0.332 -3.461 520 HD12 ILE 65 HD12 ILE 65 10.153 -0.143 -1.868 521 HD13 ILE 65 HD13 ILE 65 9.637 -1.375 -3.022 522 H HIS 66 HN HIS 66 12.806 -3.531 -4.569 523 HA HIS 66 HA HIS 66 13.741 -2.647 -7.176 524 HB2 HIS 66 HB2 HIS 66 13.822 -5.049 -6.548 525 HB3 HIS 66 HB1 HIS 66 12.059 -5.059 -6.529 526 HD1 HIS 66 HD1 HIS 66 14.524 -3.667 -9.063 527 HD2 HIS 66 HD2 HIS 66 11.299 -6.253 -8.838 528 HE1 HIS 66 HE1 HIS 66 14.029 -4.352 -11.405 529 HE2 HIS 66 HE2 HIS 66 12.180 -6.037 -11.244 530 H ALA 67 HN ALA 67 10.741 -2.821 -5.384 531 HA ALA 67 HA ALA 67 9.334 -1.077 -7.036 532 HB1 ALA 67 HB1 ALA 67 9.452 -2.899 -8.663 533 HB2 ALA 67 HB2 ALA 67 7.790 -2.618 -8.138 534 HB3 ALA 67 HB3 ALA 67 8.700 -3.987 -7.498 535 H LEU 68 HN LEU 68 7.345 -0.610 -6.192 536 HA LEU 68 HA LEU 68 6.337 -2.256 -3.984 537 HB2 LEU 68 HB2 LEU 68 7.446 0.225 -3.658 538 HB3 LEU 68 HB1 LEU 68 5.747 0.619 -3.876 539 HG LEU 68 HG LEU 68 6.213 0.460 -1.523 540 HD11 LEU 68 HD11 LEU 68 4.693 -1.958 -2.471 541 HD12 LEU 68 HD12 LEU 68 4.041 -0.336 -2.240 542 HD13 LEU 68 HD13 LEU 68 4.617 -1.259 -0.853 543 HD21 LEU 68 HD21 LEU 68 7.276 -2.284 -2.146 544 HD22 LEU 68 HD22 LEU 68 6.941 -1.691 -0.520 545 HD23 LEU 68 HD23 LEU 68 8.172 -0.907 -1.509 546 H SER 69 HN SER 69 4.518 -3.120 -4.792 547 HA SER 69 HA SER 69 2.932 -1.520 -6.652 548 HB2 SER 69 HB2 SER 69 2.856 -4.485 -6.070 549 HB3 SER 69 HB1 SER 69 1.854 -3.656 -7.259 550 HG SER 69 HG SER 69 4.669 -3.962 -7.253 551 H ILE 70 HN ILE 70 1.404 -0.387 -5.748 552 HA ILE 70 HA ILE 70 0.071 -1.248 -3.349 553 HB ILE 70 HB ILE 70 0.479 1.065 -3.376 554 HG12 ILE 70 HG12 ILE 70 -2.388 0.942 -4.304 555 HG13 ILE 70 HG11 ILE 70 -1.885 0.369 -2.718 556 HG21 ILE 70 HG21 ILE 70 0.992 1.376 -5.706 557 HG22 ILE 70 HG22 ILE 70 -0.205 2.571 -5.205 558 HG23 ILE 70 HG23 ILE 70 -0.703 1.164 -6.143 559 HD11 ILE 70 HD11 ILE 70 -1.644 3.171 -3.786 560 HD12 ILE 70 HD12 ILE 70 -1.010 2.625 -2.234 561 HD13 ILE 70 HD13 ILE 70 -2.745 2.598 -2.532 562 H LYS 71 HN LYS 71 -0.942 -3.085 -3.957 563 HA LYS 71 HA LYS 71 -2.607 -3.268 -6.252 564 HB2 LYS 71 HB2 LYS 71 -2.897 -4.999 -3.803 565 HB3 LYS 71 HB1 LYS 71 -3.212 -5.425 -5.480 566 HG2 LYS 71 HG2 LYS 71 -0.826 -5.331 -5.958 567 HG3 LYS 71 HG1 LYS 71 -0.519 -4.876 -4.279 568 HD2 LYS 71 HD2 LYS 71 -0.092 -7.245 -4.581 569 HD3 LYS 71 HD1 LYS 71 -1.499 -7.018 -3.544 570 HE2 LYS 71 HE2 LYS 71 -1.957 -8.793 -5.097 571 HE3 LYS 71 HE1 LYS 71 -2.951 -7.402 -5.522 572 HZ1 LYS 71 HZ1 LYS 71 -1.979 -8.413 -7.481 573 HZ2 LYS 71 HZ2 LYS 71 -0.422 -8.200 -6.862 574 HZ3 LYS 71 HZ3 LYS 71 -1.361 -6.855 -7.267 575 H LYS 72 HN LYS 72 -3.028 -2.242 -2.996 576 HA LYS 72 HA LYS 72 -5.875 -1.768 -3.498 577 HB2 LYS 72 HB2 LYS 72 -4.622 -3.200 -1.263 578 HB3 LYS 72 HB1 LYS 72 -5.792 -1.976 -0.794 579 HG2 LYS 72 HG2 LYS 72 -6.947 -4.033 -0.957 580 HG3 LYS 72 HG1 LYS 72 -7.416 -3.045 -2.344 581 HD2 LYS 72 HD2 LYS 72 -6.086 -4.313 -3.822 582 HD3 LYS 72 HD1 LYS 72 -5.224 -5.097 -2.496 583 HE2 LYS 72 HE2 LYS 72 -8.149 -5.456 -3.140 584 HE3 LYS 72 HE1 LYS 72 -6.866 -6.595 -3.545 585 HZ1 LYS 72 HZ1 LYS 72 -7.908 -7.329 -1.555 586 HZ2 LYS 72 HZ2 LYS 72 -7.773 -5.809 -0.830 587 HZ3 LYS 72 HZ3 LYS 72 -6.381 -6.731 -1.125 588 H ALA 73 HN ALA 73 -6.225 0.228 -3.558 589 HA ALA 73 HA ALA 73 -5.128 1.977 -1.461 590 HB1 ALA 73 HB1 ALA 73 -4.212 2.508 -3.739 591 HB2 ALA 73 HB2 ALA 73 -5.096 3.833 -2.986 592 HB3 ALA 73 HB3 ALA 73 -5.858 2.871 -4.253 593 H GLN 74 HN GLN 74 -6.887 1.799 -0.119 594 HA GLN 74 HA GLN 74 -9.424 2.836 -1.173 595 HB2 GLN 74 HB2 GLN 74 -9.032 0.225 0.279 596 HB3 GLN 74 HB1 GLN 74 -10.597 1.021 0.167 597 HG2 GLN 74 HG2 GLN 74 -10.633 0.808 -2.195 598 HG3 GLN 74 HG1 GLN 74 -8.949 0.297 -2.237 599 HE21 GLN 74 HE21 GLN 74 -11.415 -0.980 -3.219 600 HE22 GLN 74 HE22 GLN 74 -11.436 -2.551 -2.499 601 H THR 75 HN THR 75 -10.908 3.573 0.431 602 HA THR 75 HA THR 75 -9.673 4.333 2.960 603 HB THR 75 HB THR 75 -11.882 5.954 2.600 604 HG1 THR 75 HG1 THR 75 -10.785 6.675 0.322 605 HG21 THR 75 HG21 THR 75 -10.305 7.710 2.547 606 HG22 THR 75 HG22 THR 75 -9.069 6.686 1.828 607 HG23 THR 75 HG23 THR 75 -9.555 6.438 3.504 608 HA PRO 76 HA PRO 76 -12.469 2.144 5.512 609 HB2 PRO 76 HB2 PRO 76 -12.900 4.716 6.943 610 HB3 PRO 76 HB1 PRO 76 -12.410 3.139 7.575 611 HG2 PRO 76 HG2 PRO 76 -10.625 5.075 7.300 612 HG3 PRO 76 HG1 PRO 76 -10.207 3.403 6.883 613 HD2 PRO 76 HD2 PRO 76 -10.877 5.695 5.085 614 HD3 PRO 76 HD1 PRO 76 -9.661 4.421 4.883 615 H GLN 77 HN GLN 77 -13.628 4.686 3.601 616 HA GLN 77 HA GLN 77 -16.343 4.501 4.634 617 HB2 GLN 77 HB2 GLN 77 -16.369 5.998 2.297 618 HB3 GLN 77 HB1 GLN 77 -16.438 6.627 3.937 619 HG2 GLN 77 HG2 GLN 77 -14.537 7.689 3.460 620 HG3 GLN 77 HG1 GLN 77 -13.765 6.099 3.385 621 HE21 GLN 77 HE21 GLN 77 -13.808 4.976 1.545 622 HE22 GLN 77 HE22 GLN 77 -13.669 5.777 0.028 623 H GLN 78 HN GLN 78 -14.415 3.454 1.875 624 HA GLN 78 HA GLN 78 -16.749 1.959 0.849 625 HB2 GLN 78 HB2 GLN 78 -13.881 1.867 -0.095 626 HB3 GLN 78 HB1 GLN 78 -15.254 1.107 -0.885 627 HG2 GLN 78 HG2 GLN 78 -15.535 2.919 -2.102 628 HG3 GLN 78 HG1 GLN 78 -15.812 3.865 -0.635 629 HE21 GLN 78 HE21 GLN 78 -13.202 3.330 0.460 630 HE22 GLN 78 HE22 GLN 78 -12.113 4.341 -0.433 631 H TRP 79 HN TRP 79 -13.807 1.748 2.565 632 HA TRP 79 HA TRP 79 -13.748 -1.098 2.855 633 HB2 TRP 79 HB2 TRP 79 -12.024 1.088 3.298 634 HB3 TRP 79 HB1 TRP 79 -12.267 0.300 4.871 635 HD1 TRP 79 HD1 TRP 79 -11.377 -0.711 1.277 636 HE1 TRP 79 HE1 TRP 79 -9.734 -2.673 1.372 637 HE3 TRP 79 HE3 TRP 79 -11.278 -1.403 6.324 638 HZ2 TRP 79 HZ2 TRP 79 -8.550 -4.334 3.355 639 HZ3 TRP 79 HZ3 TRP 79 -9.887 -3.213 7.243 640 HH2 TRP 79 HH2 TRP 79 -8.561 -4.645 5.778 641 H LYS 80 HN LYS 80 -15.789 1.140 3.893 642 HA LYS 80 HA LYS 80 -16.095 0.998 6.578 643 HB2 LYS 80 HB2 LYS 80 -18.496 1.417 6.295 644 HB3 LYS 80 HB1 LYS 80 -17.496 2.409 5.244 645 HG2 LYS 80 HG2 LYS 80 -18.017 0.939 3.364 646 HG3 LYS 80 HG1 LYS 80 -19.030 -0.046 4.423 647 HD2 LYS 80 HD2 LYS 80 -20.508 1.825 4.805 648 HD3 LYS 80 HD1 LYS 80 -19.459 2.885 3.861 649 HE2 LYS 80 HE2 LYS 80 -19.866 1.459 1.887 650 HE3 LYS 80 HE1 LYS 80 -20.983 0.491 2.846 651 HZ1 LYS 80 HZ1 LYS 80 -22.134 2.136 1.504 652 HZ2 LYS 80 HZ2 LYS 80 -21.281 3.384 2.257 653 HZ3 LYS 80 HZ3 LYS 80 -22.362 2.439 3.151 654 HA PRO 81 HA PRO 81 -18.081 -3.242 6.822 655 HB2 PRO 81 HB2 PRO 81 -18.070 -4.826 4.517 656 HB3 PRO 81 HB1 PRO 81 -19.446 -3.917 5.138 657 HG2 PRO 81 HG2 PRO 81 -18.061 -3.448 2.722 658 HG3 PRO 81 HG1 PRO 81 -19.285 -2.406 3.466 659 HD2 PRO 81 HD2 PRO 81 -16.316 -2.203 3.547 660 HD3 PRO 81 HD1 PRO 81 -17.538 -0.918 3.567 661 HA PRO 82 HA PRO 82 -13.889 -5.009 6.761 662 HB2 PRO 82 HB2 PRO 82 -13.813 -5.350 9.513 663 HB3 PRO 82 HB1 PRO 82 -13.236 -3.926 8.647 664 HG2 PRO 82 HG2 PRO 82 -15.467 -4.114 10.422 665 HG3 PRO 82 HG1 PRO 82 -14.915 -2.698 9.517 666 HD2 PRO 82 HD2 PRO 82 -17.116 -4.575 8.916 667 HD3 PRO 82 HD1 PRO 82 -16.882 -2.896 8.388 668 H SER 83 HN SER 83 -13.849 -7.094 6.101 669 HA SER 83 HA SER 83 -14.556 -9.146 7.980 670 HB2 SER 83 HB2 SER 83 -16.740 -8.607 6.806 671 HB3 SER 83 HB1 SER 83 -15.990 -9.163 5.312 672 HG SER 83 HG SER 83 -15.586 -11.182 6.520 673 H GLN 84 HN GLN 84 -12.198 -8.251 6.792 674 HA GLN 84 HA GLN 84 -11.412 -10.699 5.401 675 HB2 GLN 84 HB2 GLN 84 -10.194 -9.535 3.732 676 HB3 GLN 84 HB1 GLN 84 -11.788 -8.818 3.770 677 HG2 GLN 84 HG2 GLN 84 -10.870 -6.969 5.136 678 HG3 GLN 84 HG1 GLN 84 -9.265 -7.671 4.934 679 HE21 GLN 84 HE21 GLN 84 -11.806 -5.886 3.464 680 HE22 GLN 84 HE22 GLN 84 -10.993 -5.515 1.994 681 H ASP 85 HN ASP 85 -10.453 -7.818 7.194 682 HA ASP 85 HA ASP 85 -7.799 -8.695 7.718 683 HB2 ASP 85 HB2 ASP 85 -7.810 -6.734 9.243 684 HB3 ASP 85 HB1 ASP 85 -8.322 -6.329 7.615 685 H SER 86 HN SER 86 -10.813 -9.381 8.930 686 HA SER 86 HA SER 86 -9.966 -10.081 11.605 687 HB2 SER 86 HB2 SER 86 -12.226 -9.104 11.106 688 HB3 SER 86 HB1 SER 86 -12.625 -10.588 10.251 689 HG SER 86 HG SER 86 -11.919 -10.380 12.993 690 H ALA 87 HN ALA 87 -10.019 -11.474 8.525 691 HA ALA 87 HA ALA 87 -9.996 -14.195 9.604 692 HB1 ALA 87 HB1 ALA 87 -11.568 -13.812 7.772 693 HB2 ALA 87 HB2 ALA 87 -10.308 -14.952 7.301 694 HB3 ALA 87 HB3 ALA 87 -10.237 -13.280 6.746 695 H THR 88 HN THR 88 -7.971 -11.798 8.891 696 HA THR 88 HA THR 88 -5.949 -13.111 7.370 697 HB THR 88 HB THR 88 -5.637 -10.621 9.050 698 HG1 THR 88 HG1 THR 88 -7.061 -11.112 6.725 699 HG21 THR 88 HG21 THR 88 -3.952 -10.016 7.371 700 HG22 THR 88 HG22 THR 88 -4.234 -11.543 6.535 701 HG23 THR 88 HG23 THR 88 -3.541 -11.541 8.156 702 H LEU 89 HN LEU 89 -6.885 -13.386 10.542 703 HA LEU 89 HA LEU 89 -4.263 -14.435 11.324 704 HB2 LEU 89 HB2 LEU 89 -4.376 -13.467 13.490 705 HB3 LEU 89 HB1 LEU 89 -4.641 -12.181 12.334 706 HG LEU 89 HG LEU 89 -6.848 -13.543 13.885 707 HD11 LEU 89 HD11 LEU 89 -5.365 -12.349 15.392 708 HD12 LEU 89 HD12 LEU 89 -6.902 -11.500 15.232 709 HD13 LEU 89 HD13 LEU 89 -5.473 -10.907 14.384 710 HD21 LEU 89 HD21 LEU 89 -7.644 -12.560 11.820 711 HD22 LEU 89 HD22 LEU 89 -6.820 -11.046 12.193 712 HD23 LEU 89 HD23 LEU 89 -8.171 -11.584 13.190 713 H THR 90 HN THR 90 -7.341 -15.114 10.688 714 HA THR 90 HA THR 90 -7.500 -17.166 12.781 715 HB THR 90 HB THR 90 -10.006 -17.122 12.285 716 HG1 THR 90 HG1 THR 90 -10.106 -14.546 11.602 717 HG21 THR 90 HG21 THR 90 -8.730 -14.686 13.536 718 HG22 THR 90 HG22 THR 90 -9.026 -16.223 14.347 719 HG23 THR 90 HG23 THR 90 -10.383 -15.238 13.801 720 H LYS 91 HN LYS 91 -7.431 -16.569 9.429 721 HA LYS 91 HA LYS 91 -7.726 -19.433 8.927 722 HB2 LYS 91 HB2 LYS 91 -9.119 -17.249 7.375 723 HB3 LYS 91 HB1 LYS 91 -8.938 -18.894 6.784 724 HG2 LYS 91 HG2 LYS 91 -10.928 -19.236 7.727 725 HG3 LYS 91 HG1 LYS 91 -10.022 -19.312 9.238 726 HD2 LYS 91 HD2 LYS 91 -10.450 -16.960 9.649 727 HD3 LYS 91 HD1 LYS 91 -11.279 -16.818 8.097 728 HE2 LYS 91 HE2 LYS 91 -12.914 -18.516 8.888 729 HE3 LYS 91 HE1 LYS 91 -12.130 -18.476 10.465 730 HZ1 LYS 91 HZ1 LYS 91 -13.451 -16.179 9.124 731 HZ2 LYS 91 HZ2 LYS 91 -12.687 -16.128 10.632 732 HZ3 LYS 91 HZ3 LYS 91 -14.076 -17.066 10.422 733 H ASP 92 HN ASP 92 -6.533 -16.305 7.904 734 HA ASP 92 HA ASP 92 -5.102 -17.433 5.661 735 HB2 ASP 92 HB2 ASP 92 -6.064 -15.118 5.627 736 HB3 ASP 92 HB1 ASP 92 -4.832 -14.649 6.795 737 H ALA 93 HN ALA 93 -4.185 -15.894 8.731 738 HA ALA 93 HA ALA 93 -1.661 -17.360 8.644 739 HB1 ALA 93 HB1 ALA 93 -1.823 -14.370 8.987 740 HB2 ALA 93 HB2 ALA 93 -1.158 -15.224 7.597 741 HB3 ALA 93 HB3 ALA 93 -0.367 -15.345 9.168 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 21.605 -3.368 1.622 2 H2 MET 1 HT2 MET 1 21.018 -2.936 0.098 3 H3 MET 1 HT3 MET 1 22.052 -4.259 0.256 4 HA MET 1 HA MET 1 19.795 -4.993 -0.059 5 HB2 MET 1 HB2 MET 1 21.197 -6.428 1.268 6 HB3 MET 1 HB1 MET 1 20.961 -5.433 2.693 7 HG2 MET 1 HG2 MET 1 19.683 -7.484 2.836 8 HG3 MET 1 HG1 MET 1 18.620 -6.078 2.780 9 HE1 MET 1 HE1 MET 1 16.551 -8.836 0.936 10 HE2 MET 1 HE2 MET 1 16.586 -7.683 2.270 11 HE3 MET 1 HE3 MET 1 17.654 -9.086 2.290 12 H VAL 2 HN VAL 2 17.665 -4.624 0.219 13 HA VAL 2 HA VAL 2 16.909 -2.679 2.288 14 HB VAL 2 HB VAL 2 16.533 -1.838 0.016 15 HG11 VAL 2 HG11 VAL 2 14.631 -4.147 -0.319 16 HG12 VAL 2 HG12 VAL 2 16.203 -3.993 -1.102 17 HG13 VAL 2 HG13 VAL 2 14.920 -2.847 -1.475 18 HG21 VAL 2 HG21 VAL 2 14.202 -1.187 0.275 19 HG22 VAL 2 HG22 VAL 2 15.048 -1.130 1.821 20 HG23 VAL 2 HG23 VAL 2 13.965 -2.473 1.456 21 H THR 3 HN THR 3 15.284 -3.180 3.675 22 HA THR 3 HA THR 3 14.358 -5.963 3.552 23 HB THR 3 HB THR 3 14.097 -5.799 6.010 24 HG1 THR 3 HG1 THR 3 15.596 -3.738 6.608 25 HG21 THR 3 HG21 THR 3 16.483 -5.835 6.555 26 HG22 THR 3 HG22 THR 3 16.856 -5.077 5.007 27 HG23 THR 3 HG23 THR 3 16.166 -6.699 5.052 28 H LYS 4 HN LYS 4 12.281 -6.444 4.278 29 HA LYS 4 HA LYS 4 10.172 -4.662 3.664 30 HB2 LYS 4 HB2 LYS 4 9.676 -6.960 3.444 31 HB3 LYS 4 HB1 LYS 4 10.388 -7.353 5.000 32 HG2 LYS 4 HG2 LYS 4 8.486 -6.073 6.060 33 HG3 LYS 4 HG1 LYS 4 7.750 -6.032 4.456 34 HD2 LYS 4 HD2 LYS 4 7.516 -8.361 4.369 35 HD3 LYS 4 HD1 LYS 4 8.659 -8.612 5.685 36 HE2 LYS 4 HE2 LYS 4 6.438 -9.041 6.492 37 HE3 LYS 4 HE1 LYS 4 7.036 -7.561 7.235 38 HZ1 LYS 4 HZ1 LYS 4 4.686 -7.505 6.424 39 HZ2 LYS 4 HZ2 LYS 4 5.283 -7.566 4.842 40 HZ3 LYS 4 HZ3 LYS 4 5.671 -6.256 5.848 41 H GLU 5 HN GLU 5 12.212 -5.126 6.287 42 HA GLU 5 HA GLU 5 10.440 -4.573 8.420 43 HB2 GLU 5 HB2 GLU 5 13.438 -4.546 8.209 44 HB3 GLU 5 HB1 GLU 5 12.579 -4.286 9.727 45 HG2 GLU 5 HG2 GLU 5 13.025 -6.508 9.896 46 HG3 GLU 5 HG1 GLU 5 11.467 -6.585 9.077 47 H GLN 6 HN GLN 6 12.638 -2.681 6.507 48 HA GLN 6 HA GLN 6 12.092 -0.277 7.982 49 HB2 GLN 6 HB2 GLN 6 13.331 0.844 6.152 50 HB3 GLN 6 HB1 GLN 6 14.237 -0.461 6.899 51 HG2 GLN 6 HG2 GLN 6 14.631 -1.162 4.837 52 HG3 GLN 6 HG1 GLN 6 12.948 -1.704 4.816 53 HE21 GLN 6 HE21 GLN 6 11.385 -0.359 3.827 54 HE22 GLN 6 HE22 GLN 6 11.844 0.835 2.643 55 H VAL 7 HN VAL 7 10.683 -2.041 5.389 56 HA VAL 7 HA VAL 7 9.188 0.119 4.200 57 HB VAL 7 HB VAL 7 8.852 -2.894 4.122 58 HG11 VAL 7 HG11 VAL 7 6.676 -1.861 3.835 59 HG12 VAL 7 HG12 VAL 7 7.240 -2.563 2.318 60 HG13 VAL 7 HG13 VAL 7 7.322 -0.819 2.569 61 HG21 VAL 7 HG21 VAL 7 9.847 -0.930 2.063 62 HG22 VAL 7 HG22 VAL 7 9.603 -2.655 1.788 63 HG23 VAL 7 HG23 VAL 7 10.815 -2.110 2.948 64 H GLU 8 HN GLU 8 8.887 -2.163 6.692 65 HA GLU 8 HA GLU 8 6.166 -2.045 7.318 66 HB2 GLU 8 HB2 GLU 8 8.707 -2.937 8.544 67 HB3 GLU 8 HB1 GLU 8 7.325 -2.736 9.627 68 HG2 GLU 8 HG2 GLU 8 7.489 -4.525 7.208 69 HG3 GLU 8 HG1 GLU 8 7.510 -5.035 8.894 70 H ALA 9 HN ALA 9 9.005 -0.332 8.561 71 HA ALA 9 HA ALA 9 7.465 0.953 10.628 72 HB1 ALA 9 HB1 ALA 9 10.321 1.377 9.750 73 HB2 ALA 9 HB2 ALA 9 9.782 0.311 11.047 74 HB3 ALA 9 HB3 ALA 9 9.581 2.056 11.198 75 H SER 10 HN SER 10 8.516 1.549 7.419 76 HA SER 10 HA SER 10 8.452 4.430 7.660 77 HB2 SER 10 HB2 SER 10 8.652 2.644 5.231 78 HB3 SER 10 HB1 SER 10 8.718 4.406 5.164 79 HG SER 10 HG SER 10 10.541 2.595 6.334 80 H LEU 11 HN LEU 11 6.396 2.086 5.944 81 HA LEU 11 HA LEU 11 4.566 4.115 5.146 82 HB2 LEU 11 HB2 LEU 11 4.503 1.118 5.050 83 HB3 LEU 11 HB1 LEU 11 3.127 2.076 4.542 84 HG LEU 11 HG LEU 11 4.665 3.208 2.878 85 HD11 LEU 11 HD11 LEU 11 6.499 0.957 3.689 86 HD12 LEU 11 HD12 LEU 11 6.810 2.687 3.836 87 HD13 LEU 11 HD13 LEU 11 6.694 1.943 2.241 88 HD21 LEU 11 HD21 LEU 11 4.545 1.379 1.275 89 HD22 LEU 11 HD22 LEU 11 3.065 1.485 2.227 90 HD23 LEU 11 HD23 LEU 11 4.257 0.236 2.586 91 H THR 12 HN THR 12 4.648 1.795 7.803 92 HA THR 12 HA THR 12 1.973 2.129 8.627 93 HB THR 12 HB THR 12 4.352 1.375 10.338 94 HG1 THR 12 HG1 THR 12 4.327 -0.248 8.957 95 HG21 THR 12 HG21 THR 12 1.407 0.817 10.709 96 HG22 THR 12 HG22 THR 12 2.365 1.954 11.656 97 HG23 THR 12 HG23 THR 12 2.707 0.225 11.741 98 H SER 13 HN SER 13 4.721 4.192 8.966 99 HA SER 13 HA SER 13 3.684 5.570 11.286 100 HB2 SER 13 HB2 SER 13 6.034 6.170 9.485 101 HB3 SER 13 HB1 SER 13 5.636 7.078 10.946 102 HG SER 13 HG SER 13 6.676 4.494 10.661 103 H LYS 14 HN LYS 14 4.096 6.273 7.827 104 HA LYS 14 HA LYS 14 2.869 8.870 8.224 105 HB2 LYS 14 HB2 LYS 14 4.871 8.701 6.810 106 HB3 LYS 14 HB1 LYS 14 4.008 7.623 5.721 107 HG2 LYS 14 HG2 LYS 14 2.434 9.404 5.190 108 HG3 LYS 14 HG1 LYS 14 3.281 10.486 6.294 109 HD2 LYS 14 HD2 LYS 14 5.304 10.289 4.931 110 HD3 LYS 14 HD1 LYS 14 4.449 9.211 3.824 111 HE2 LYS 14 HE2 LYS 14 4.505 11.470 2.932 112 HE3 LYS 14 HE1 LYS 14 2.854 10.999 3.322 113 HZ1 LYS 14 HZ1 LYS 14 4.601 12.695 5.020 114 HZ2 LYS 14 HZ2 LYS 14 3.003 12.263 5.364 115 HZ3 LYS 14 HZ3 LYS 14 3.342 13.253 4.036 116 H LEU 15 HN LEU 15 2.071 5.739 7.038 117 HA LEU 15 HA LEU 15 -0.344 6.766 5.705 118 HB2 LEU 15 HB2 LEU 15 1.346 4.345 5.382 119 HB3 LEU 15 HB1 LEU 15 -0.371 4.163 5.079 120 HG LEU 15 HG LEU 15 -0.314 5.665 3.244 121 HD11 LEU 15 HD11 LEU 15 2.489 6.390 4.084 122 HD12 LEU 15 HD12 LEU 15 1.063 7.426 4.175 123 HD13 LEU 15 HD13 LEU 15 1.695 6.930 2.604 124 HD21 LEU 15 HD21 LEU 15 2.190 3.990 3.188 125 HD22 LEU 15 HD22 LEU 15 1.374 4.671 1.781 126 HD23 LEU 15 HD23 LEU 15 0.566 3.449 2.764 127 H LYS 16 HN LYS 16 0.807 5.414 8.489 128 HA LYS 16 HA LYS 16 -0.165 4.896 10.434 129 HB2 LYS 16 HB2 LYS 16 -2.765 5.404 8.980 130 HB3 LYS 16 HB1 LYS 16 -2.632 5.117 10.708 131 HG2 LYS 16 HG2 LYS 16 -1.341 7.134 10.988 132 HG3 LYS 16 HG1 LYS 16 -1.322 7.398 9.243 133 HD2 LYS 16 HD2 LYS 16 -3.742 7.655 9.241 134 HD3 LYS 16 HD1 LYS 16 -3.791 7.331 10.973 135 HE2 LYS 16 HE2 LYS 16 -2.445 9.330 11.386 136 HE3 LYS 16 HE1 LYS 16 -2.393 9.654 9.654 137 HZ1 LYS 16 HZ1 LYS 16 -4.093 10.943 10.886 138 HZ2 LYS 16 HZ2 LYS 16 -4.903 9.498 11.222 139 HZ3 LYS 16 HZ3 LYS 16 -4.729 10.018 9.618 140 HA PRO 17 HA PRO 17 -0.826 0.573 10.051 141 HB2 PRO 17 HB2 PRO 17 -1.597 -0.099 12.523 142 HB3 PRO 17 HB1 PRO 17 0.020 0.543 12.208 143 HG2 PRO 17 HG2 PRO 17 -2.400 1.953 13.267 144 HG3 PRO 17 HG1 PRO 17 -0.720 2.050 13.822 145 HD2 PRO 17 HD2 PRO 17 -1.883 3.902 12.181 146 HD3 PRO 17 HD1 PRO 17 -0.144 3.559 12.198 147 H ILE 18 HN ILE 18 -3.109 2.136 9.125 148 HA ILE 18 HA ILE 18 -5.532 1.105 10.191 149 HB ILE 18 HB ILE 18 -5.068 2.121 7.391 150 HG12 ILE 18 HG12 ILE 18 -5.823 3.728 9.843 151 HG13 ILE 18 HG11 ILE 18 -4.190 3.637 9.192 152 HG21 ILE 18 HG21 ILE 18 -7.525 2.053 9.149 153 HG22 ILE 18 HG22 ILE 18 -7.229 1.054 7.726 154 HG23 ILE 18 HG23 ILE 18 -7.435 2.797 7.554 155 HD11 ILE 18 HD11 ILE 18 -5.384 5.669 8.523 156 HD12 ILE 18 HD12 ILE 18 -6.579 4.671 7.693 157 HD13 ILE 18 HD13 ILE 18 -4.899 4.674 7.153 158 H HIS 19 HN HIS 19 -4.378 0.560 6.861 159 HA HIS 19 HA HIS 19 -4.289 -2.307 7.383 160 HB2 HIS 19 HB2 HIS 19 -6.597 -1.907 6.581 161 HB3 HIS 19 HB1 HIS 19 -5.952 -1.135 5.145 162 HD1 HIS 19 HD1 HIS 19 -6.578 -4.477 6.659 163 HD2 HIS 19 HD2 HIS 19 -4.946 -2.880 3.184 164 HE1 HIS 19 HE1 HIS 19 -6.502 -6.369 5.009 165 HE2 HIS 19 HE2 HIS 19 -5.347 -5.431 2.968 166 H LEU 20 HN LEU 20 -2.171 -2.281 7.094 167 HA LEU 20 HA LEU 20 -1.206 -1.690 4.380 168 HB2 LEU 20 HB2 LEU 20 -0.306 -0.065 5.978 169 HB3 LEU 20 HB1 LEU 20 0.263 -1.381 6.984 170 HG LEU 20 HG LEU 20 1.697 -2.102 5.025 171 HD11 LEU 20 HD11 LEU 20 0.985 0.663 4.066 172 HD12 LEU 20 HD12 LEU 20 0.555 -0.858 3.286 173 HD13 LEU 20 HD13 LEU 20 2.245 -0.369 3.391 174 HD21 LEU 20 HD21 LEU 20 3.449 -0.524 5.573 175 HD22 LEU 20 HD22 LEU 20 2.569 -0.992 7.027 176 HD23 LEU 20 HD23 LEU 20 2.267 0.576 6.279 177 H GLU 21 HN GLU 21 -0.611 -3.485 3.412 178 HA GLU 21 HA GLU 21 0.564 -5.642 4.986 179 HB2 GLU 21 HB2 GLU 21 -1.552 -6.057 2.859 180 HB3 GLU 21 HB1 GLU 21 -0.720 -7.322 3.748 181 HG2 GLU 21 HG2 GLU 21 -2.658 -5.308 4.863 182 HG3 GLU 21 HG1 GLU 21 -2.934 -7.032 4.628 183 H VAL 22 HN VAL 22 2.560 -5.199 4.203 184 HA VAL 22 HA VAL 22 2.915 -5.284 1.313 185 HB VAL 22 HB VAL 22 5.082 -4.355 1.615 186 HG11 VAL 22 HG11 VAL 22 3.250 -2.771 1.801 187 HG12 VAL 22 HG12 VAL 22 4.587 -2.277 2.838 188 HG13 VAL 22 HG13 VAL 22 3.160 -3.043 3.538 189 HG21 VAL 22 HG21 VAL 22 4.751 -4.735 4.594 190 HG22 VAL 22 HG22 VAL 22 6.111 -3.945 3.798 191 HG23 VAL 22 HG23 VAL 22 5.823 -5.667 3.552 192 H ILE 23 HN ILE 23 3.494 -7.091 0.369 193 HA ILE 23 HA ILE 23 4.257 -9.331 2.086 194 HB ILE 23 HB ILE 23 2.982 -9.504 -0.625 195 HG12 ILE 23 HG12 ILE 23 1.597 -9.706 2.059 196 HG13 ILE 23 HG11 ILE 23 1.556 -8.268 1.047 197 HG21 ILE 23 HG21 ILE 23 4.138 -11.510 0.068 198 HG22 ILE 23 HG22 ILE 23 2.398 -11.785 0.139 199 HG23 ILE 23 HG23 ILE 23 3.304 -11.487 1.622 200 HD11 ILE 23 HD11 ILE 23 0.452 -10.975 0.345 201 HD12 ILE 23 HD12 ILE 23 0.450 -9.565 -0.715 202 HD13 ILE 23 HD13 ILE 23 -0.471 -9.540 0.789 203 H ASP 24 HN ASP 24 6.380 -9.032 1.985 204 HA ASP 24 HA ASP 24 7.937 -8.756 -0.349 205 HB2 ASP 24 HB2 ASP 24 8.911 -8.203 1.793 206 HB3 ASP 24 HB1 ASP 24 8.675 -9.850 2.371 207 H ILE 25 HN ILE 25 8.161 -10.136 -1.902 208 HA ILE 25 HA ILE 25 7.848 -13.005 -1.371 209 HB ILE 25 HB ILE 25 7.831 -11.561 -4.024 210 HG12 ILE 25 HG12 ILE 25 5.424 -12.595 -2.538 211 HG13 ILE 25 HG11 ILE 25 5.996 -10.939 -2.353 212 HG21 ILE 25 HG21 ILE 25 8.369 -13.937 -4.192 213 HG22 ILE 25 HG22 ILE 25 6.770 -13.606 -4.856 214 HG23 ILE 25 HG23 ILE 25 6.926 -14.336 -3.260 215 HD11 ILE 25 HD11 ILE 25 5.684 -10.548 -4.716 216 HD12 ILE 25 HD12 ILE 25 4.184 -11.109 -3.972 217 HD13 ILE 25 HD13 ILE 25 5.158 -12.216 -4.940 218 H SER 26 HN SER 26 10.246 -10.701 -1.770 219 HA SER 26 HA SER 26 12.123 -12.709 -2.799 220 HB2 SER 26 HB2 SER 26 13.143 -10.720 -4.132 221 HB3 SER 26 HB1 SER 26 11.721 -11.548 -4.772 222 HG SER 26 HG SER 26 10.475 -9.869 -4.235 223 H GLY 27 HN GLY 27 12.726 -9.262 -2.286 224 HA2 GLY 27 HA2 GLY 27 13.706 -9.146 0.242 225 HA3 GLY 27 HA1 GLY 27 15.008 -9.917 -0.651 226 H GLY 28 HN GLY 28 16.396 -8.670 -1.771 227 HA2 GLY 28 HA2 GLY 28 15.759 -5.786 -1.894 228 HA3 GLY 28 HA1 GLY 28 17.350 -6.395 -1.469 229 H CYS 29 HN CYS 29 17.668 -8.360 -3.378 230 HA CYS 29 HA CYS 29 18.231 -6.739 -5.719 231 HB2 CYS 29 HB2 CYS 29 19.939 -8.299 -4.787 232 HB3 CYS 29 HB1 CYS 29 18.870 -9.648 -5.152 233 HG CYS 29 HG CYS 29 20.235 -7.564 -7.497 234 H GLY 30 HN GLY 30 16.226 -9.338 -4.646 235 HA2 GLY 30 HA2 GLY 30 14.981 -9.728 -7.234 236 HA3 GLY 30 HA1 GLY 30 14.594 -10.581 -5.742 237 H SER 31 HN SER 31 14.831 -7.672 -4.681 238 HA SER 31 HA SER 31 12.590 -7.427 -3.421 239 HB2 SER 31 HB2 SER 31 14.281 -5.771 -3.192 240 HB3 SER 31 HB1 SER 31 14.043 -5.200 -4.838 241 HG SER 31 HG SER 31 12.549 -4.716 -2.537 242 H SER 32 HN SER 32 10.672 -7.841 -3.928 243 HA SER 32 HA SER 32 9.230 -6.016 -5.656 244 HB2 SER 32 HB2 SER 32 7.911 -8.150 -6.475 245 HB3 SER 32 HB1 SER 32 9.396 -7.662 -7.291 246 HG SER 32 HG SER 32 10.510 -9.238 -6.208 247 H PHE 33 HN PHE 33 7.823 -5.166 -4.274 248 HA PHE 33 HA PHE 33 6.743 -6.912 -2.167 249 HB2 PHE 33 HB2 PHE 33 7.016 -3.908 -2.175 250 HB3 PHE 33 HB1 PHE 33 6.364 -4.874 -0.860 251 HD1 PHE 33 HD1 PHE 33 7.867 -6.527 0.279 252 HD2 PHE 33 HD2 PHE 33 9.321 -3.539 -2.373 253 HE1 PHE 33 HE1 PHE 33 10.126 -6.789 1.222 254 HE2 PHE 33 HE2 PHE 33 11.577 -3.802 -1.439 255 HZ PHE 33 HZ PHE 33 11.981 -5.428 0.358 256 H GLU 34 HN GLU 34 4.666 -7.269 -2.071 257 HA GLU 34 HA GLU 34 2.848 -5.739 -3.807 258 HB2 GLU 34 HB2 GLU 34 2.275 -8.291 -2.281 259 HB3 GLU 34 HB1 GLU 34 1.291 -7.568 -3.546 260 HG2 GLU 34 HG2 GLU 34 4.055 -8.689 -3.947 261 HG3 GLU 34 HG1 GLU 34 2.554 -9.546 -4.293 262 H VAL 35 HN VAL 35 2.032 -4.016 -2.752 263 HA VAL 35 HA VAL 35 1.632 -4.247 0.142 264 HB VAL 35 HB VAL 35 1.897 -1.888 0.283 265 HG11 VAL 35 HG11 VAL 35 3.949 -3.240 0.069 266 HG12 VAL 35 HG12 VAL 35 4.154 -1.586 -0.506 267 HG13 VAL 35 HG13 VAL 35 3.956 -2.906 -1.661 268 HG21 VAL 35 HG21 VAL 35 0.670 -1.189 -1.693 269 HG22 VAL 35 HG22 VAL 35 1.951 -1.819 -2.730 270 HG23 VAL 35 HG23 VAL 35 2.269 -0.446 -1.668 271 H GLU 36 HN GLU 36 -0.275 -3.850 1.080 272 HA GLU 36 HA GLU 36 -2.468 -2.801 -0.574 273 HB2 GLU 36 HB2 GLU 36 -2.589 -4.576 1.872 274 HB3 GLU 36 HB1 GLU 36 -3.986 -3.783 1.166 275 HG2 GLU 36 HG2 GLU 36 -3.288 -5.031 -0.990 276 HG3 GLU 36 HG1 GLU 36 -2.373 -6.058 0.120 277 H VAL 37 HN VAL 37 -3.167 -0.847 0.016 278 HA VAL 37 HA VAL 37 -2.482 0.054 2.730 279 HB VAL 37 HB VAL 37 -2.392 1.781 0.256 280 HG11 VAL 37 HG11 VAL 37 -1.379 3.446 1.739 281 HG12 VAL 37 HG12 VAL 37 -1.609 2.354 3.105 282 HG13 VAL 37 HG13 VAL 37 -3.008 3.002 2.247 283 HG21 VAL 37 HG21 VAL 37 0.041 1.826 0.544 284 HG22 VAL 37 HG22 VAL 37 -0.543 0.193 0.225 285 HG23 VAL 37 HG23 VAL 37 -0.097 0.665 1.865 286 H VAL 38 HN VAL 38 -4.124 0.718 3.812 287 HA VAL 38 HA VAL 38 -6.316 2.087 2.421 288 HB VAL 38 HB VAL 38 -6.504 0.538 5.017 289 HG11 VAL 38 HG11 VAL 38 -8.899 1.032 4.925 290 HG12 VAL 38 HG12 VAL 38 -8.632 2.034 3.497 291 HG13 VAL 38 HG13 VAL 38 -7.932 2.503 5.047 292 HG21 VAL 38 HG21 VAL 38 -8.018 -0.947 3.773 293 HG22 VAL 38 HG22 VAL 38 -6.396 -0.937 3.083 294 HG23 VAL 38 HG23 VAL 38 -7.690 -0.031 2.303 295 H SER 39 HN SER 39 -5.629 4.118 2.602 296 HA SER 39 HA SER 39 -5.132 5.185 5.256 297 HB2 SER 39 HB2 SER 39 -2.937 4.418 4.269 298 HB3 SER 39 HB1 SER 39 -3.177 5.610 2.992 299 HG SER 39 HG SER 39 -2.560 5.959 5.687 300 H GLU 40 HN GLU 40 -5.100 7.517 5.245 301 HA GLU 40 HA GLU 40 -7.429 8.399 3.885 302 HB2 GLU 40 HB2 GLU 40 -7.083 10.479 5.147 303 HB3 GLU 40 HB1 GLU 40 -6.969 9.041 6.152 304 HG2 GLU 40 HG2 GLU 40 -4.527 9.164 6.033 305 HG3 GLU 40 HG1 GLU 40 -4.673 10.649 5.091 306 H GLN 41 HN GLN 41 -4.637 8.035 2.487 307 HA GLN 41 HA GLN 41 -4.486 10.621 1.104 308 HB2 GLN 41 HB2 GLN 41 -2.995 8.395 -0.099 309 HB3 GLN 41 HB1 GLN 41 -2.421 9.986 0.384 310 HG2 GLN 41 HG2 GLN 41 -2.817 7.616 2.193 311 HG3 GLN 41 HG1 GLN 41 -1.275 8.236 1.603 312 HE21 GLN 41 HE21 GLN 41 -2.600 7.927 4.287 313 HE22 GLN 41 HE22 GLN 41 -2.390 9.473 5.040 314 H PHE 42 HN PHE 42 -6.330 8.049 1.156 315 HA PHE 42 HA PHE 42 -6.878 7.996 -1.734 316 HB2 PHE 42 HB2 PHE 42 -7.441 5.925 0.400 317 HB3 PHE 42 HB1 PHE 42 -7.781 5.736 -1.320 318 HD1 PHE 42 HD1 PHE 42 -5.066 7.125 -2.098 319 HD2 PHE 42 HD2 PHE 42 -6.125 3.933 0.498 320 HE1 PHE 42 HE1 PHE 42 -2.837 6.140 -2.408 321 HE2 PHE 42 HE2 PHE 42 -3.905 2.948 0.202 322 HZ PHE 42 HZ PHE 42 -2.251 4.049 -1.250 323 H GLU 43 HN GLU 43 -7.820 9.748 0.595 324 HA GLU 43 HA GLU 43 -10.495 8.814 1.180 325 HB2 GLU 43 HB2 GLU 43 -9.111 9.931 2.891 326 HB3 GLU 43 HB1 GLU 43 -9.172 11.417 1.953 327 HG2 GLU 43 HG2 GLU 43 -11.465 11.706 2.354 328 HG3 GLU 43 HG1 GLU 43 -11.658 10.046 2.918 329 H GLY 44 HN GLY 44 -12.126 9.057 -0.145 330 HA2 GLY 44 HA2 GLY 44 -13.533 9.920 -1.737 331 HA3 GLY 44 HA1 GLY 44 -13.015 11.510 -1.183 332 H LYS 45 HN LYS 45 -10.847 9.106 -2.437 333 HA LYS 45 HA LYS 45 -9.983 11.036 -4.429 334 HB2 LYS 45 HB2 LYS 45 -8.687 8.852 -2.840 335 HB3 LYS 45 HB1 LYS 45 -7.913 9.528 -4.239 336 HG2 LYS 45 HG2 LYS 45 -8.785 11.074 -1.822 337 HG3 LYS 45 HG1 LYS 45 -7.132 10.536 -2.147 338 HD2 LYS 45 HD2 LYS 45 -7.007 11.931 -4.111 339 HD3 LYS 45 HD1 LYS 45 -8.704 12.380 -3.945 340 HE2 LYS 45 HE2 LYS 45 -6.482 13.040 -2.019 341 HE3 LYS 45 HE1 LYS 45 -7.273 14.160 -3.129 342 HZ1 LYS 45 HZ1 LYS 45 -8.550 12.751 -0.848 343 HZ2 LYS 45 HZ2 LYS 45 -9.365 13.744 -1.947 344 HZ3 LYS 45 HZ3 LYS 45 -8.185 14.399 -0.932 345 H ARG 46 HN ARG 46 -9.594 10.417 -6.534 346 HA ARG 46 HA ARG 46 -10.739 7.939 -7.460 347 HB2 ARG 46 HB2 ARG 46 -9.163 10.075 -8.909 348 HB3 ARG 46 HB1 ARG 46 -9.870 8.671 -9.689 349 HG2 ARG 46 HG2 ARG 46 -12.093 9.422 -9.073 350 HG3 ARG 46 HG1 ARG 46 -11.403 10.809 -8.228 351 HD2 ARG 46 HD2 ARG 46 -12.209 11.422 -10.457 352 HD3 ARG 46 HD1 ARG 46 -10.465 11.638 -10.310 353 HE ARG 46 HE ARG 46 -11.381 9.120 -11.446 354 HH11 ARG 46 HH11 ARG 46 -10.125 12.336 -12.014 355 HH12 ARG 46 HH12 ARG 46 -9.608 11.989 -13.634 356 HH21 ARG 46 HH21 ARG 46 -10.699 8.652 -13.581 357 HH22 ARG 46 HH22 ARG 46 -9.952 9.896 -14.530 358 H LEU 47 HN LEU 47 -9.579 6.224 -8.360 359 HA LEU 47 HA LEU 47 -7.492 5.172 -7.012 360 HB2 LEU 47 HB2 LEU 47 -7.291 3.542 -8.676 361 HB3 LEU 47 HB1 LEU 47 -8.934 4.117 -8.791 362 HG LEU 47 HG LEU 47 -6.784 5.108 -10.637 363 HD11 LEU 47 HD11 LEU 47 -6.931 2.684 -10.853 364 HD12 LEU 47 HD12 LEU 47 -7.616 3.486 -12.266 365 HD13 LEU 47 HD13 LEU 47 -8.681 2.797 -11.041 366 HD21 LEU 47 HD21 LEU 47 -9.792 5.041 -10.873 367 HD22 LEU 47 HD22 LEU 47 -8.666 5.715 -12.050 368 HD23 LEU 47 HD23 LEU 47 -8.832 6.463 -10.462 369 H LEU 48 HN LEU 48 -7.241 7.136 -9.837 370 HA LEU 48 HA LEU 48 -4.492 7.037 -10.313 371 HB2 LEU 48 HB2 LEU 48 -6.445 9.283 -10.826 372 HB3 LEU 48 HB1 LEU 48 -4.811 9.234 -11.459 373 HG LEU 48 HG LEU 48 -6.966 7.218 -12.098 374 HD11 LEU 48 HD11 LEU 48 -7.011 8.268 -14.302 375 HD12 LEU 48 HD12 LEU 48 -5.858 9.484 -13.749 376 HD13 LEU 48 HD13 LEU 48 -7.471 9.412 -13.040 377 HD21 LEU 48 HD21 LEU 48 -5.411 6.435 -13.796 378 HD22 LEU 48 HD22 LEU 48 -4.696 6.309 -12.192 379 HD23 LEU 48 HD23 LEU 48 -4.217 7.619 -13.268 380 H GLU 49 HN GLU 49 -6.337 9.516 -8.582 381 HA GLU 49 HA GLU 49 -4.139 11.001 -7.636 382 HB2 GLU 49 HB2 GLU 49 -6.656 10.797 -6.027 383 HB3 GLU 49 HB1 GLU 49 -5.690 12.217 -6.406 384 HG2 GLU 49 HG2 GLU 49 -7.473 10.744 -8.322 385 HG3 GLU 49 HG1 GLU 49 -7.866 12.260 -7.505 386 H ARG 50 HN ARG 50 -5.964 8.307 -6.464 387 HA ARG 50 HA ARG 50 -5.033 8.038 -3.869 388 HB2 ARG 50 HB2 ARG 50 -5.967 6.090 -5.972 389 HB3 ARG 50 HB1 ARG 50 -5.447 5.516 -4.375 390 HG2 ARG 50 HG2 ARG 50 -7.156 7.050 -3.380 391 HG3 ARG 50 HG1 ARG 50 -7.724 7.376 -5.016 392 HD2 ARG 50 HD2 ARG 50 -7.989 4.839 -5.229 393 HD3 ARG 50 HD1 ARG 50 -7.810 4.797 -3.477 394 HE ARG 50 HE ARG 50 -9.792 6.658 -4.430 395 HH11 ARG 50 HH11 ARG 50 -9.225 3.347 -3.400 396 HH12 ARG 50 HH12 ARG 50 -10.898 3.078 -3.007 397 HH21 ARG 50 HH21 ARG 50 -11.946 6.291 -3.916 398 HH22 ARG 50 HH22 ARG 50 -12.442 4.748 -3.302 399 H HIS 51 HN HIS 51 -3.827 6.493 -6.814 400 HA HIS 51 HA HIS 51 -1.621 5.300 -5.454 401 HB2 HIS 51 HB2 HIS 51 -2.095 5.644 -8.420 402 HB3 HIS 51 HB1 HIS 51 -0.841 4.636 -7.705 403 HD1 HIS 51 HD1 HIS 51 -3.600 3.939 -9.453 404 HD2 HIS 51 HD2 HIS 51 -2.653 3.025 -5.529 405 HE1 HIS 51 HE1 HIS 51 -5.024 1.973 -8.831 406 HE2 HIS 51 HE2 HIS 51 -4.344 1.362 -6.507 407 H ARG 52 HN ARG 52 -1.988 8.178 -7.452 408 HA ARG 52 HA ARG 52 0.815 8.606 -7.732 409 HB2 ARG 52 HB2 ARG 52 -1.518 10.485 -8.120 410 HB3 ARG 52 HB1 ARG 52 0.148 10.882 -8.515 411 HG2 ARG 52 HG2 ARG 52 0.170 8.968 -10.096 412 HG3 ARG 52 HG1 ARG 52 -1.549 8.735 -9.767 413 HD2 ARG 52 HD2 ARG 52 -0.270 11.212 -10.917 414 HD3 ARG 52 HD1 ARG 52 -1.218 10.025 -11.806 415 HE ARG 52 HE ARG 52 -3.123 10.713 -10.351 416 HH11 ARG 52 HH11 ARG 52 -0.435 12.896 -10.876 417 HH12 ARG 52 HH12 ARG 52 -1.386 14.325 -10.631 418 HH21 ARG 52 HH21 ARG 52 -4.386 12.598 -10.048 419 HH22 ARG 52 HH22 ARG 52 -3.619 14.157 -10.145 420 H MET 53 HN MET 53 -1.306 8.990 -5.158 421 HA MET 53 HA MET 53 0.188 11.252 -4.074 422 HB2 MET 53 HB2 MET 53 -2.331 11.160 -3.981 423 HB3 MET 53 HB1 MET 53 -2.174 9.839 -2.831 424 HG2 MET 53 HG2 MET 53 -2.565 11.947 -1.690 425 HG3 MET 53 HG1 MET 53 -0.980 11.287 -1.287 426 HE1 MET 53 HE1 MET 53 -1.693 14.237 -0.594 427 HE2 MET 53 HE2 MET 53 -0.275 15.115 -1.168 428 HE3 MET 53 HE3 MET 53 -0.080 13.571 -0.337 429 H VAL 54 HN VAL 54 -0.579 7.893 -3.415 430 HA VAL 54 HA VAL 54 0.884 7.762 -0.985 431 HB VAL 54 HB VAL 54 -0.830 6.096 -2.347 432 HG11 VAL 54 HG11 VAL 54 0.262 3.966 -2.658 433 HG12 VAL 54 HG12 VAL 54 1.815 4.673 -2.209 434 HG13 VAL 54 HG13 VAL 54 1.007 5.190 -3.691 435 HG21 VAL 54 HG21 VAL 54 -0.513 4.577 -0.403 436 HG22 VAL 54 HG22 VAL 54 -0.725 6.271 0.039 437 HG23 VAL 54 HG23 VAL 54 0.883 5.547 0.062 438 H ASN 55 HN ASN 55 1.607 7.056 -4.358 439 HA ASN 55 HA ASN 55 4.234 6.121 -3.713 440 HB2 ASN 55 HB2 ASN 55 4.579 5.706 -5.933 441 HB3 ASN 55 HB1 ASN 55 2.831 5.543 -5.842 442 HD21 ASN 55 HD21 ASN 55 2.241 8.299 -5.712 443 HD22 ASN 55 HD22 ASN 55 2.675 9.039 -7.213 444 H ALA 56 HN ALA 56 2.794 9.165 -4.087 445 HA ALA 56 HA ALA 56 5.044 10.646 -4.894 446 HB1 ALA 56 HB1 ALA 56 2.820 11.658 -4.712 447 HB2 ALA 56 HB2 ALA 56 4.010 12.560 -3.772 448 HB3 ALA 56 HB3 ALA 56 2.880 11.477 -2.958 449 H ALA 57 HN ALA 57 3.988 9.368 -1.827 450 HA ALA 57 HA ALA 57 6.234 10.541 -0.382 451 HB1 ALA 57 HB1 ALA 57 5.097 9.586 1.594 452 HB2 ALA 57 HB2 ALA 57 3.878 8.888 0.524 453 HB3 ALA 57 HB3 ALA 57 4.044 10.641 0.652 454 H LEU 58 HN LEU 58 5.834 7.980 -2.303 455 HA LEU 58 HA LEU 58 7.568 6.197 -0.753 456 HB2 LEU 58 HB2 LEU 58 4.917 5.692 -1.971 457 HB3 LEU 58 HB1 LEU 58 6.120 4.450 -2.168 458 HG LEU 58 HG LEU 58 4.794 3.843 -0.291 459 HD11 LEU 58 HD11 LEU 58 6.376 3.803 1.534 460 HD12 LEU 58 HD12 LEU 58 7.327 5.072 0.769 461 HD13 LEU 58 HD13 LEU 58 7.186 3.492 0.002 462 HD21 LEU 58 HD21 LEU 58 3.757 5.989 0.159 463 HD22 LEU 58 HD22 LEU 58 5.279 6.613 0.793 464 HD23 LEU 58 HD23 LEU 58 4.441 5.312 1.638 465 H GLU 59 HN GLU 59 7.371 8.074 -3.300 466 HA GLU 59 HA GLU 59 8.058 6.405 -5.503 467 HB2 GLU 59 HB2 GLU 59 7.036 8.668 -5.755 468 HB3 GLU 59 HB1 GLU 59 8.528 9.383 -5.140 469 HG2 GLU 59 HG2 GLU 59 8.746 7.617 -7.501 470 HG3 GLU 59 HG1 GLU 59 7.970 9.179 -7.727 471 H GLU 60 HN GLU 60 9.769 8.101 -3.046 472 HA GLU 60 HA GLU 60 12.370 7.734 -4.204 473 HB2 GLU 60 HB2 GLU 60 12.981 8.503 -1.757 474 HB3 GLU 60 HB1 GLU 60 12.331 9.638 -2.927 475 HG2 GLU 60 HG2 GLU 60 11.203 10.084 -0.923 476 HG3 GLU 60 HG1 GLU 60 10.047 9.200 -1.922 477 H GLU 61 HN GLU 61 10.283 6.237 -1.890 478 HA GLU 61 HA GLU 61 11.996 4.308 -0.821 479 HB2 GLU 61 HB2 GLU 61 9.603 4.942 -0.169 480 HB3 GLU 61 HB1 GLU 61 9.089 3.899 -1.484 481 HG2 GLU 61 HG2 GLU 61 8.968 2.715 0.621 482 HG3 GLU 61 HG1 GLU 61 10.181 1.990 -0.431 483 H MET 62 HN MET 62 9.932 4.370 -3.677 484 HA MET 62 HA MET 62 10.400 1.754 -4.578 485 HB2 MET 62 HB2 MET 62 8.626 3.396 -5.383 486 HB3 MET 62 HB1 MET 62 9.885 4.141 -6.355 487 HG2 MET 62 HG2 MET 62 9.196 1.229 -6.585 488 HG3 MET 62 HG1 MET 62 8.351 2.476 -7.497 489 HE1 MET 62 HE1 MET 62 9.933 -0.084 -8.725 490 HE2 MET 62 HE2 MET 62 10.665 0.676 -10.137 491 HE3 MET 62 HE3 MET 62 9.005 1.063 -9.687 492 H LYS 63 HN LYS 63 12.211 4.705 -4.888 493 HA LYS 63 HA LYS 63 13.958 3.829 -6.953 494 HB2 LYS 63 HB2 LYS 63 14.181 6.059 -4.933 495 HB3 LYS 63 HB1 LYS 63 15.348 5.791 -6.220 496 HG2 LYS 63 HG2 LYS 63 12.424 6.213 -6.752 497 HG3 LYS 63 HG1 LYS 63 13.579 7.540 -6.639 498 HD2 LYS 63 HD2 LYS 63 13.966 5.218 -8.512 499 HD3 LYS 63 HD1 LYS 63 13.068 6.664 -8.970 500 HE2 LYS 63 HE2 LYS 63 15.928 6.626 -8.009 501 HE3 LYS 63 HE1 LYS 63 15.427 6.735 -9.694 502 HZ1 LYS 63 HZ1 LYS 63 14.312 8.817 -9.190 503 HZ2 LYS 63 HZ2 LYS 63 15.949 8.910 -8.783 504 HZ3 LYS 63 HZ3 LYS 63 14.789 8.712 -7.571 505 H GLU 64 HN GLU 64 13.759 2.968 -3.667 506 HA GLU 64 HA GLU 64 16.639 2.324 -3.665 507 HB2 GLU 64 HB2 GLU 64 15.686 3.709 -1.761 508 HB3 GLU 64 HB1 GLU 64 14.835 2.253 -1.255 509 HG2 GLU 64 HG2 GLU 64 16.888 1.097 -0.883 510 HG3 GLU 64 HG1 GLU 64 17.817 2.404 -1.610 511 H ILE 65 HN ILE 65 13.461 1.048 -3.520 512 HA ILE 65 HA ILE 65 14.415 -1.708 -3.316 513 HB ILE 65 HB ILE 65 11.930 -2.189 -3.436 514 HG12 ILE 65 HG12 ILE 65 11.907 0.815 -3.297 515 HG13 ILE 65 HG11 ILE 65 11.229 -0.191 -4.562 516 HG21 ILE 65 HG21 ILE 65 11.492 -1.438 -1.134 517 HG22 ILE 65 HG22 ILE 65 12.916 -0.401 -1.216 518 HG23 ILE 65 HG23 ILE 65 13.095 -2.154 -1.304 519 HD11 ILE 65 HD11 ILE 65 9.602 -1.045 -2.929 520 HD12 ILE 65 HD12 ILE 65 9.506 0.701 -3.160 521 HD13 ILE 65 HD13 ILE 65 10.295 0.044 -1.730 522 H HIS 66 HN HIS 66 12.548 -2.938 -4.999 523 HA HIS 66 HA HIS 66 13.492 -1.929 -7.603 524 HB2 HIS 66 HB2 HIS 66 14.345 -4.203 -6.573 525 HB3 HIS 66 HB1 HIS 66 12.842 -4.812 -7.264 526 HD1 HIS 66 HD1 HIS 66 12.750 -3.243 -9.876 527 HD2 HIS 66 HD2 HIS 66 16.191 -5.014 -8.392 528 HE1 HIS 66 HE1 HIS 66 14.299 -3.487 -11.816 529 HE2 HIS 66 HE2 HIS 66 16.427 -4.396 -10.876 530 H ALA 67 HN ALA 67 10.635 -2.539 -5.820 531 HA ALA 67 HA ALA 67 8.925 -2.096 -7.981 532 HB1 ALA 67 HB1 ALA 67 9.166 -4.994 -7.197 533 HB2 ALA 67 HB2 ALA 67 9.580 -4.291 -8.756 534 HB3 ALA 67 HB3 ALA 67 7.901 -4.320 -8.218 535 H LEU 68 HN LEU 68 7.027 -1.522 -7.267 536 HA LEU 68 HA LEU 68 6.087 -2.419 -4.639 537 HB2 LEU 68 HB2 LEU 68 6.602 0.325 -5.604 538 HB3 LEU 68 HB1 LEU 68 5.109 0.084 -4.701 539 HG LEU 68 HG LEU 68 7.911 -0.470 -3.720 540 HD11 LEU 68 HD11 LEU 68 7.411 1.903 -3.876 541 HD12 LEU 68 HD12 LEU 68 7.463 1.394 -2.189 542 HD13 LEU 68 HD13 LEU 68 5.911 1.663 -2.982 543 HD21 LEU 68 HD21 LEU 68 5.254 -0.747 -2.322 544 HD22 LEU 68 HD22 LEU 68 6.830 -0.863 -1.542 545 HD23 LEU 68 HD23 LEU 68 6.356 -2.055 -2.749 546 H SER 69 HN SER 69 4.325 -3.567 -5.138 547 HA SER 69 HA SER 69 2.516 -2.513 -7.200 548 HB2 SER 69 HB2 SER 69 2.530 -5.283 -5.990 549 HB3 SER 69 HB1 SER 69 1.661 -4.752 -7.429 550 HG SER 69 HG SER 69 4.052 -5.800 -7.314 551 H ILE 70 HN ILE 70 1.070 -1.197 -6.231 552 HA ILE 70 HA ILE 70 0.078 -1.840 -3.592 553 HB ILE 70 HB ILE 70 0.606 0.475 -3.990 554 HG12 ILE 70 HG12 ILE 70 -2.405 0.281 -3.886 555 HG13 ILE 70 HG11 ILE 70 -1.364 -0.172 -2.542 556 HG21 ILE 70 HG21 ILE 70 -1.436 0.418 -6.199 557 HG22 ILE 70 HG22 ILE 70 0.310 0.591 -6.382 558 HG23 ILE 70 HG23 ILE 70 -0.623 1.860 -5.590 559 HD11 ILE 70 HD11 ILE 70 -0.511 2.083 -2.411 560 HD12 ILE 70 HD12 ILE 70 -2.270 2.084 -2.309 561 HD13 ILE 70 HD13 ILE 70 -1.473 2.551 -3.812 562 H LYS 71 HN LYS 71 -1.048 -3.610 -3.792 563 HA LYS 71 HA LYS 71 -2.791 -4.187 -5.970 564 HB2 LYS 71 HB2 LYS 71 -2.878 -5.610 -3.325 565 HB3 LYS 71 HB1 LYS 71 -3.128 -6.267 -4.937 566 HG2 LYS 71 HG2 LYS 71 -0.508 -5.265 -3.869 567 HG3 LYS 71 HG1 LYS 71 -0.995 -6.963 -3.924 568 HD2 LYS 71 HD2 LYS 71 -0.863 -5.201 -6.366 569 HD3 LYS 71 HD1 LYS 71 0.492 -6.188 -5.817 570 HE2 LYS 71 HE2 LYS 71 -2.245 -7.263 -6.485 571 HE3 LYS 71 HE1 LYS 71 -0.880 -7.251 -7.600 572 HZ1 LYS 71 HZ1 LYS 71 -1.080 -9.383 -6.513 573 HZ2 LYS 71 HZ2 LYS 71 -0.980 -8.657 -4.988 574 HZ3 LYS 71 HZ3 LYS 71 0.357 -8.621 -6.031 575 H LYS 72 HN LYS 72 -3.137 -2.546 -3.019 576 HA LYS 72 HA LYS 72 -5.959 -2.126 -3.563 577 HB2 LYS 72 HB2 LYS 72 -5.356 -4.025 -1.713 578 HB3 LYS 72 HB1 LYS 72 -5.380 -2.568 -0.731 579 HG2 LYS 72 HG2 LYS 72 -7.540 -3.624 -0.681 580 HG3 LYS 72 HG1 LYS 72 -7.638 -2.066 -1.499 581 HD2 LYS 72 HD2 LYS 72 -8.914 -3.456 -2.854 582 HD3 LYS 72 HD1 LYS 72 -7.354 -3.439 -3.668 583 HE2 LYS 72 HE2 LYS 72 -8.202 -5.588 -1.736 584 HE3 LYS 72 HE1 LYS 72 -8.462 -5.688 -3.473 585 HZ1 LYS 72 HZ1 LYS 72 -6.503 -6.825 -3.176 586 HZ2 LYS 72 HZ2 LYS 72 -5.931 -5.793 -1.967 587 HZ3 LYS 72 HZ3 LYS 72 -5.930 -5.287 -3.587 588 H ALA 73 HN ALA 73 -6.395 -0.163 -3.407 589 HA ALA 73 HA ALA 73 -5.047 1.563 -1.465 590 HB1 ALA 73 HB1 ALA 73 -5.537 2.285 -4.360 591 HB2 ALA 73 HB2 ALA 73 -3.966 1.980 -3.625 592 HB3 ALA 73 HB3 ALA 73 -4.917 3.378 -3.123 593 H GLN 74 HN GLN 74 -6.799 1.629 -0.150 594 HA GLN 74 HA GLN 74 -9.149 3.059 -1.178 595 HB2 GLN 74 HB2 GLN 74 -9.362 0.494 0.416 596 HB3 GLN 74 HB1 GLN 74 -10.707 1.493 -0.118 597 HG2 GLN 74 HG2 GLN 74 -10.105 1.029 -2.455 598 HG3 GLN 74 HG1 GLN 74 -8.792 -0.004 -1.899 599 HE21 GLN 74 HE21 GLN 74 -11.954 0.176 -0.401 600 HE22 GLN 74 HE22 GLN 74 -12.443 -1.427 -0.812 601 H THR 75 HN THR 75 -10.541 3.892 0.591 602 HA THR 75 HA THR 75 -8.988 4.431 3.011 603 HB THR 75 HB THR 75 -11.025 6.290 2.919 604 HG1 THR 75 HG1 THR 75 -9.967 6.810 0.487 605 HG21 THR 75 HG21 THR 75 -9.217 7.889 2.425 606 HG22 THR 75 HG22 THR 75 -8.152 6.537 2.046 607 HG23 THR 75 HG23 THR 75 -8.775 6.737 3.681 608 HA PRO 76 HA PRO 76 -11.841 2.507 5.700 609 HB2 PRO 76 HB2 PRO 76 -11.739 4.934 7.395 610 HB3 PRO 76 HB1 PRO 76 -11.331 3.263 7.793 611 HG2 PRO 76 HG2 PRO 76 -9.420 5.082 7.453 612 HG3 PRO 76 HG1 PRO 76 -9.214 3.420 6.866 613 HD2 PRO 76 HD2 PRO 76 -9.914 5.897 5.340 614 HD3 PRO 76 HD1 PRO 76 -8.812 4.577 4.900 615 H GLN 77 HN GLN 77 -12.666 5.501 4.236 616 HA GLN 77 HA GLN 77 -15.292 5.579 5.448 617 HB2 GLN 77 HB2 GLN 77 -15.456 7.660 4.642 618 HB3 GLN 77 HB1 GLN 77 -13.775 7.481 4.176 619 HG2 GLN 77 HG2 GLN 77 -15.702 6.479 2.218 620 HG3 GLN 77 HG1 GLN 77 -15.740 8.227 2.488 621 HE21 GLN 77 HE21 GLN 77 -13.057 6.102 2.808 622 HE22 GLN 77 HE22 GLN 77 -12.164 6.658 1.443 623 H GLN 78 HN GLN 78 -13.882 4.177 2.583 624 HA GLN 78 HA GLN 78 -16.535 3.348 1.676 625 HB2 GLN 78 HB2 GLN 78 -13.882 2.958 0.315 626 HB3 GLN 78 HB1 GLN 78 -15.465 2.664 -0.391 627 HG2 GLN 78 HG2 GLN 78 -15.541 4.753 -1.132 628 HG3 GLN 78 HG1 GLN 78 -15.318 5.368 0.511 629 HE21 GLN 78 HE21 GLN 78 -12.826 4.095 0.895 630 HE22 GLN 78 HE22 GLN 78 -11.664 5.021 0.013 631 H TRP 79 HN TRP 79 -13.364 2.231 2.594 632 HA TRP 79 HA TRP 79 -13.771 -0.524 2.644 633 HB2 TRP 79 HB2 TRP 79 -11.849 1.343 3.599 634 HB3 TRP 79 HB1 TRP 79 -12.315 0.336 4.973 635 HD1 TRP 79 HD1 TRP 79 -11.434 -0.316 1.280 636 HE1 TRP 79 HE1 TRP 79 -9.910 -2.346 1.177 637 HE3 TRP 79 HE3 TRP 79 -11.203 -1.413 6.262 638 HZ2 TRP 79 HZ2 TRP 79 -8.713 -4.205 2.964 639 HZ3 TRP 79 HZ3 TRP 79 -9.842 -3.339 6.978 640 HH2 TRP 79 HH2 TRP 79 -8.631 -4.697 5.362 641 H LYS 80 HN LYS 80 -14.609 2.081 4.732 642 HA LYS 80 HA LYS 80 -15.450 2.174 6.856 643 HB2 LYS 80 HB2 LYS 80 -17.896 1.516 6.691 644 HB3 LYS 80 HB1 LYS 80 -17.283 2.580 5.438 645 HG2 LYS 80 HG2 LYS 80 -17.142 0.783 3.878 646 HG3 LYS 80 HG1 LYS 80 -17.601 -0.396 5.122 647 HD2 LYS 80 HD2 LYS 80 -19.597 -0.040 3.976 648 HD3 LYS 80 HD1 LYS 80 -19.741 1.040 5.363 649 HE2 LYS 80 HE2 LYS 80 -20.443 2.286 3.481 650 HE3 LYS 80 HE1 LYS 80 -18.826 2.864 3.875 651 HZ1 LYS 80 HZ1 LYS 80 -19.086 2.529 1.499 652 HZ2 LYS 80 HZ2 LYS 80 -19.491 0.906 1.744 653 HZ3 LYS 80 HZ3 LYS 80 -17.937 1.452 2.121 654 HA PRO 81 HA PRO 81 -15.597 -1.698 9.374 655 HB2 PRO 81 HB2 PRO 81 -18.537 -2.128 9.175 656 HB3 PRO 81 HB1 PRO 81 -17.493 -2.138 10.602 657 HG2 PRO 81 HG2 PRO 81 -19.083 -0.070 10.151 658 HG3 PRO 81 HG1 PRO 81 -17.424 0.190 10.728 659 HD2 PRO 81 HD2 PRO 81 -18.534 0.470 7.962 660 HD3 PRO 81 HD1 PRO 81 -17.395 1.529 8.822 661 HA PRO 82 HA PRO 82 -15.078 -4.057 5.649 662 HB2 PRO 82 HB2 PRO 82 -14.387 -6.186 7.621 663 HB3 PRO 82 HB1 PRO 82 -13.495 -5.636 6.196 664 HG2 PRO 82 HG2 PRO 82 -12.711 -4.913 8.626 665 HG3 PRO 82 HG1 PRO 82 -12.662 -3.758 7.281 666 HD2 PRO 82 HD2 PRO 82 -14.604 -3.955 9.539 667 HD3 PRO 82 HD1 PRO 82 -13.948 -2.517 8.733 668 H SER 83 HN SER 83 -16.615 -4.971 4.497 669 HA SER 83 HA SER 83 -18.280 -7.018 5.777 670 HB2 SER 83 HB2 SER 83 -19.656 -5.021 5.370 671 HB3 SER 83 HB1 SER 83 -19.145 -5.005 3.684 672 HG SER 83 HG SER 83 -20.293 -6.853 3.313 673 H GLN 84 HN GLN 84 -15.898 -6.531 3.938 674 HA GLN 84 HA GLN 84 -16.575 -8.152 1.620 675 HB2 GLN 84 HB2 GLN 84 -14.336 -7.533 0.830 676 HB3 GLN 84 HB1 GLN 84 -15.250 -6.116 1.290 677 HG2 GLN 84 HG2 GLN 84 -13.503 -7.296 3.347 678 HG3 GLN 84 HG1 GLN 84 -12.720 -6.483 1.992 679 HE21 GLN 84 HE21 GLN 84 -11.946 -4.891 3.408 680 HE22 GLN 84 HE22 GLN 84 -12.972 -3.639 3.992 681 H ASP 85 HN ASP 85 -14.926 -8.171 4.607 682 HA ASP 85 HA ASP 85 -13.577 -10.662 4.248 683 HB2 ASP 85 HB2 ASP 85 -12.726 -8.932 5.789 684 HB3 ASP 85 HB1 ASP 85 -14.178 -9.096 6.766 685 H SER 86 HN SER 86 -16.689 -9.715 4.780 686 HA SER 86 HA SER 86 -17.496 -12.141 6.199 687 HB2 SER 86 HB2 SER 86 -18.330 -9.889 6.951 688 HB3 SER 86 HB1 SER 86 -19.192 -9.757 5.421 689 HG SER 86 HG SER 86 -20.620 -11.198 6.068 690 H ALA 87 HN ALA 87 -18.186 -10.295 3.236 691 HA ALA 87 HA ALA 87 -19.992 -12.256 2.204 692 HB1 ALA 87 HB1 ALA 87 -18.682 -9.928 0.809 693 HB2 ALA 87 HB2 ALA 87 -20.227 -9.886 1.658 694 HB3 ALA 87 HB3 ALA 87 -20.047 -10.866 0.202 695 H THR 88 HN THR 88 -17.024 -12.808 2.756 696 HA THR 88 HA THR 88 -16.557 -14.257 0.242 697 HB THR 88 HB THR 88 -14.833 -12.506 0.659 698 HG1 THR 88 HG1 THR 88 -14.160 -15.260 0.680 699 HG21 THR 88 HG21 THR 88 -14.214 -14.156 3.110 700 HG22 THR 88 HG22 THR 88 -14.855 -12.514 3.097 701 HG23 THR 88 HG23 THR 88 -13.229 -12.830 2.492 702 H LEU 89 HN LEU 89 -17.657 -14.569 3.242 703 HA LEU 89 HA LEU 89 -16.618 -17.296 3.537 704 HB2 LEU 89 HB2 LEU 89 -15.462 -15.787 5.112 705 HB3 LEU 89 HB1 LEU 89 -17.009 -15.297 5.769 706 HG LEU 89 HG LEU 89 -17.390 -17.569 6.606 707 HD11 LEU 89 HD11 LEU 89 -16.194 -18.857 4.956 708 HD12 LEU 89 HD12 LEU 89 -15.537 -19.201 6.556 709 HD13 LEU 89 HD13 LEU 89 -14.664 -18.137 5.453 710 HD21 LEU 89 HD21 LEU 89 -15.692 -17.551 8.350 711 HD22 LEU 89 HD22 LEU 89 -16.276 -15.919 8.023 712 HD23 LEU 89 HD23 LEU 89 -14.711 -16.438 7.397 713 H THR 90 HN THR 90 -19.229 -15.259 3.191 714 HA THR 90 HA THR 90 -21.050 -17.164 4.504 715 HB THR 90 HB THR 90 -22.762 -15.325 4.170 716 HG1 THR 90 HG1 THR 90 -21.466 -13.187 4.006 717 HG21 THR 90 HG21 THR 90 -20.350 -14.658 5.866 718 HG22 THR 90 HG22 THR 90 -21.690 -15.700 6.342 719 HG23 THR 90 HG23 THR 90 -21.966 -13.980 6.062 720 H LYS 91 HN LYS 91 -19.649 -16.837 1.638 721 HA LYS 91 HA LYS 91 -21.653 -17.957 0.011 722 HB2 LYS 91 HB2 LYS 91 -22.126 -15.941 -1.394 723 HB3 LYS 91 HB1 LYS 91 -22.778 -15.838 0.237 724 HG2 LYS 91 HG2 LYS 91 -20.520 -14.643 0.756 725 HG3 LYS 91 HG1 LYS 91 -20.490 -14.372 -0.985 726 HD2 LYS 91 HD2 LYS 91 -22.974 -13.715 0.509 727 HD3 LYS 91 HD1 LYS 91 -21.581 -12.649 0.683 728 HE2 LYS 91 HE2 LYS 91 -22.985 -11.816 -1.087 729 HE3 LYS 91 HE1 LYS 91 -21.499 -12.443 -1.792 730 HZ1 LYS 91 HZ1 LYS 91 -22.687 -14.462 -2.399 731 HZ2 LYS 91 HZ2 LYS 91 -23.436 -13.104 -3.068 732 HZ3 LYS 91 HZ3 LYS 91 -24.109 -13.857 -1.714 733 H ASP 92 HN ASP 92 -18.645 -17.780 0.600 734 HA ASP 92 HA ASP 92 -17.827 -17.870 -2.209 735 HB2 ASP 92 HB2 ASP 92 -17.205 -15.630 -1.467 736 HB3 ASP 92 HB1 ASP 92 -16.342 -16.309 -0.090 737 H ALA 93 HN ALA 93 -16.747 -18.382 1.133 738 HA ALA 93 HA ALA 93 -15.065 -20.597 0.242 739 HB1 ALA 93 HB1 ALA 93 -14.078 -18.959 1.770 740 HB2 ALA 93 HB2 ALA 93 -14.148 -20.560 2.503 741 HB3 ALA 93 HB3 ALA 93 -15.319 -19.326 2.967
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