NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
598766 | 2n14 | 25546 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLN 23 H GLN 23 17.940 2.571 8.438 2 HA GLN 23 HA GLN 23 17.291 5.308 8.555 3 HB2 GLN 23 HB2 GLN 23 17.382 6.048 6.259 4 HB3 GLN 23 HB3 GLN 23 18.986 5.564 6.799 5 HG2 GLN 23 HG2 GLN 23 18.729 3.390 5.589 6 HG3 GLN 23 HG3 GLN 23 17.129 3.892 5.040 7 HE21 GLN 23 HE22 GLN 23 18.554 3.254 2.964 8 HE22 GLN 23 HE21 GLN 23 19.290 4.649 2.187 9 H ILE 24 H ILE 24 15.292 5.856 7.194 10 HA ILE 24 HA ILE 24 13.197 3.999 7.727 11 HB ILE 24 HB ILE 24 11.854 5.517 6.191 12 HG12 ILE 24 HG12 ILE 24 14.387 7.235 6.265 13 HG13 ILE 24 HG13 ILE 24 13.675 6.494 4.839 14 HG21 ILE 24 HG21 ILE 24 11.588 7.188 7.901 15 HG22 ILE 24 HG22 ILE 24 11.867 5.617 8.649 16 HG23 ILE 24 HG23 ILE 24 13.190 6.810 8.589 17 HD11 ILE 24 HD11 ILE 24 11.580 7.960 5.342 18 HD12 ILE 24 HD12 ILE 24 12.614 8.810 6.498 19 HD13 ILE 24 HD13 ILE 24 13.043 8.787 4.782 20 H ASN 25 H ASN 25 11.613 3.133 6.318 21 HA ASN 25 HA ASN 25 12.927 1.464 4.356 22 HB2 ASN 25 HB2 ASN 25 10.070 1.312 5.366 23 HB3 ASN 25 HB3 ASN 25 11.005 0.010 4.617 24 HD21 ASN 25 HD22 ASN 25 13.266 -0.345 5.942 25 HD22 ASN 25 HD21 ASN 25 13.043 -0.358 7.684 26 H GLN 26 H GLN 26 13.058 3.666 3.213 27 HA GLN 26 HA GLN 26 11.488 3.871 0.794 28 HB2 GLN 26 HB2 GLN 26 10.669 6.217 1.362 29 HB3 GLN 26 HB3 GLN 26 9.757 4.865 1.957 30 HG2 GLN 26 HG2 GLN 26 11.712 5.684 3.960 31 HG3 GLN 26 HG3 GLN 26 10.806 7.069 3.428 32 HE21 GLN 26 HE22 GLN 26 9.537 3.650 3.819 33 HE22 GLN 26 HE21 GLN 26 8.494 4.103 5.150 34 H VAL 27 H VAL 27 12.186 6.518 0.082 35 HA VAL 27 HA VAL 27 15.061 5.931 -0.375 36 HB VAL 27 HB VAL 27 13.516 8.064 -1.820 37 HG11 VAL 27 HG11 VAL 27 15.728 6.178 -2.702 38 HG12 VAL 27 HG12 VAL 27 14.880 7.311 -3.764 39 HG13 VAL 27 HG13 VAL 27 15.850 7.937 -2.457 40 HG21 VAL 27 HG21 VAL 27 13.317 5.088 -2.441 41 HG22 VAL 27 HG22 VAL 27 11.974 6.182 -2.020 42 HG23 VAL 27 HG23 VAL 27 12.827 6.398 -3.535 43 H ARG 28 H ARG 28 16.428 7.867 -0.724 44 HA ARG 28 HA ARG 28 16.078 10.382 0.482 45 HB2 ARG 28 HB2 ARG 28 16.513 9.246 2.626 46 HB3 ARG 28 HB3 ARG 28 17.904 8.395 1.952 47 HG2 ARG 28 HG2 ARG 28 19.185 10.469 1.796 48 HG3 ARG 28 HG3 ARG 28 17.760 11.423 2.224 49 HD2 ARG 28 HD2 ARG 28 19.270 11.331 4.050 50 HD3 ARG 28 HD3 ARG 28 17.764 10.513 4.477 51 HE ARG 28 HE ARG 28 19.106 8.341 3.812 52 HH11 ARG 28 HH11 ARG 28 20.447 11.026 5.649 53 HH12 ARG 28 HH12 ARG 28 21.556 9.982 6.495 54 HH21 ARG 28 HH21 ARG 28 20.459 7.114 4.924 55 HH22 ARG 28 HH22 ARG 28 21.589 7.803 6.077 56 HA PRO 29 HA PRO 29 19.449 10.556 -2.558 57 HB2 PRO 29 HB2 PRO 29 19.275 13.132 -3.255 58 HB3 PRO 29 HB3 PRO 29 17.825 12.088 -3.370 59 HG2 PRO 29 HG2 PRO 29 18.597 13.980 -1.118 60 HG3 PRO 29 HG3 PRO 29 17.053 13.907 -1.994 61 HD2 PRO 29 HD2 PRO 29 17.639 12.619 0.421 62 HD3 PRO 29 HD3 PRO 29 16.396 12.037 -0.718 63 H LYS 30 H LYS 30 21.391 11.878 -3.148 64 HA LYS 30 HA LYS 30 22.998 12.831 -0.812 65 HB2 LYS 30 HB2 LYS 30 24.958 12.546 -2.164 66 HB3 LYS 30 HB3 LYS 30 24.035 11.048 -2.128 67 HG2 LYS 30 HG2 LYS 30 23.128 11.518 -4.380 68 HG3 LYS 30 HG3 LYS 30 24.017 13.040 -4.447 69 HD2 LYS 30 HD2 LYS 30 25.267 10.267 -4.221 70 HD3 LYS 30 HD3 LYS 30 25.105 11.202 -5.713 71 HE2 LYS 30 HE2 LYS 30 26.532 13.006 -4.744 72 HE3 LYS 30 HE3 LYS 30 26.720 12.060 -3.262 73 HZ1 LYS 30 HZ1 LYS 30 27.637 11.187 -5.957 74 HZ2 LYS 30 HZ2 LYS 30 28.603 11.723 -4.758 75 HZ3 LYS 30 HZ3 LYS 30 27.802 10.314 -4.585 76 H LEU 31 H LEU 31 24.361 14.783 -1.241 77 HA LEU 31 HA LEU 31 22.804 16.982 -1.282 78 HB2 LEU 31 HB2 LEU 31 25.743 16.638 -1.887 79 HB3 LEU 31 HB3 LEU 31 25.032 18.232 -1.997 80 HG LEU 31 HG LEU 31 26.133 17.889 0.124 81 HD11 LEU 31 HD11 LEU 31 23.129 18.113 0.566 82 HD12 LEU 31 HD12 LEU 31 24.426 18.742 1.595 83 HD13 LEU 31 HD13 LEU 31 24.181 19.422 -0.021 84 HD21 LEU 31 HD21 LEU 31 24.025 15.805 0.813 85 HD22 LEU 31 HD22 LEU 31 25.741 15.464 0.446 86 HD23 LEU 31 HD23 LEU 31 25.307 16.429 1.862 87 HA PRO 32 HA PRO 32 23.339 18.454 -5.809 88 HB2 PRO 32 HB2 PRO 32 24.171 16.718 -7.771 89 HB3 PRO 32 HB3 PRO 32 25.278 17.714 -6.782 90 HG2 PRO 32 HG2 PRO 32 24.491 14.821 -6.310 91 HG3 PRO 32 HG3 PRO 32 26.144 15.519 -6.390 92 HD2 PRO 32 HD2 PRO 32 24.966 15.142 -4.013 93 HD3 PRO 32 HD3 PRO 32 25.863 16.653 -4.320 94 H LEU 33 H LEU 33 22.115 15.258 -5.088 95 HA LEU 33 HA LEU 33 19.909 15.523 -7.053 96 HB2 LEU 33 HB2 LEU 33 20.532 13.297 -5.093 97 HB3 LEU 33 HB3 LEU 33 19.340 13.264 -6.388 98 HG LEU 33 HG LEU 33 22.375 13.313 -6.637 99 HD11 LEU 33 HD11 LEU 33 21.337 11.141 -6.090 100 HD12 LEU 33 HD12 LEU 33 20.303 11.273 -7.526 101 HD13 LEU 33 HD13 LEU 33 22.066 11.138 -7.703 102 HD21 LEU 33 HD21 LEU 33 20.356 13.427 -8.916 103 HD22 LEU 33 HD22 LEU 33 21.529 14.688 -8.482 104 HD23 LEU 33 HD23 LEU 33 22.095 13.130 -9.081 105 H LEU 34 H LEU 34 20.433 15.699 -3.544 106 HA LEU 34 HA LEU 34 17.739 16.158 -2.693 107 HB2 LEU 34 HB2 LEU 34 19.855 15.707 -1.326 108 HB3 LEU 34 HB3 LEU 34 20.340 17.349 -1.591 109 HG LEU 34 HG LEU 34 17.623 16.899 -0.316 110 HD11 LEU 34 HD11 LEU 34 20.292 16.662 1.144 111 HD12 LEU 34 HD12 LEU 34 18.685 16.741 1.902 112 HD13 LEU 34 HD13 LEU 34 19.119 15.347 0.906 113 HD21 LEU 34 HD21 LEU 34 18.286 18.905 0.949 114 HD22 LEU 34 HD22 LEU 34 19.859 18.923 0.131 115 HD23 LEU 34 HD23 LEU 34 18.365 19.205 -0.787 116 H LYS 35 H LYS 35 20.141 18.288 -4.135 117 HA LYS 35 HA LYS 35 18.993 20.833 -3.902 118 HB2 LYS 35 HB2 LYS 35 21.233 19.771 -5.043 119 HB3 LYS 35 HB3 LYS 35 20.285 19.972 -6.500 120 HG2 LYS 35 HG2 LYS 35 21.664 21.875 -6.253 121 HG3 LYS 35 HG3 LYS 35 20.023 22.428 -5.889 122 HD2 LYS 35 HD2 LYS 35 20.481 22.511 -3.522 123 HD3 LYS 35 HD3 LYS 35 21.960 21.542 -3.700 124 HE2 LYS 35 HE2 LYS 35 23.028 23.335 -4.990 125 HE3 LYS 35 HE3 LYS 35 21.560 24.321 -4.894 126 HZ1 LYS 35 HZ1 LYS 35 21.851 24.397 -2.465 127 HZ2 LYS 35 HZ2 LYS 35 23.209 23.488 -2.555 128 HZ3 LYS 35 HZ3 LYS 35 23.180 24.983 -3.204 129 H ILE 36 H ILE 36 18.166 18.248 -6.119 130 HA ILE 36 HA ILE 36 16.629 19.827 -7.982 131 HB ILE 36 HB ILE 36 16.631 16.806 -7.584 132 HG12 ILE 36 HG12 ILE 36 18.424 18.536 -9.347 133 HG13 ILE 36 HG13 ILE 36 18.944 17.764 -7.860 134 HG21 ILE 36 HG21 ILE 36 15.945 16.714 -9.943 135 HG22 ILE 36 HG22 ILE 36 14.788 17.680 -9.039 136 HG23 ILE 36 HG23 ILE 36 16.003 18.483 -10.057 137 HD11 ILE 36 HD11 ILE 36 19.757 16.440 -9.596 138 HD12 ILE 36 HD12 ILE 36 18.457 15.535 -8.801 139 HD13 ILE 36 HD13 ILE 36 18.154 16.321 -10.377 140 H LEU 37 H LEU 37 15.678 17.548 -5.329 141 HA LEU 37 HA LEU 37 12.900 18.405 -5.576 142 HB2 LEU 37 HB2 LEU 37 14.297 16.263 -4.153 143 HB3 LEU 37 HB3 LEU 37 13.244 17.106 -3.076 144 HG LEU 37 HG LEU 37 11.383 16.851 -4.804 145 HD11 LEU 37 HD11 LEU 37 13.409 15.008 -6.156 146 HD12 LEU 37 HD12 LEU 37 11.687 15.153 -6.575 147 HD13 LEU 37 HD13 LEU 37 12.774 16.520 -6.839 148 HD21 LEU 37 HD21 LEU 37 12.742 14.331 -3.812 149 HD22 LEU 37 HD22 LEU 37 11.539 15.307 -2.940 150 HD23 LEU 37 HD23 LEU 37 11.062 14.418 -4.397 151 H HIS 38 H HIS 38 15.625 19.637 -3.682 152 HA HIS 38 HA HIS 38 14.106 21.515 -2.098 153 HB2 HIS 38 HB2 HIS 38 16.950 21.193 -2.973 154 HB3 HIS 38 HB3 HIS 38 16.450 22.832 -2.628 155 HD2 HIS 38 HD2 HIS 38 14.925 20.070 -0.443 156 HE1 HIS 38 HE1 HIS 38 17.771 22.176 1.944 157 HE2 HIS 38 HE2 HIS 38 15.900 20.462 1.990 158 H ALA 39 H ALA 39 15.302 21.779 -5.498 159 HA ALA 39 HA ALA 39 14.421 24.421 -5.912 160 HB1 ALA 39 HB1 ALA 39 14.368 22.156 -7.943 161 HB2 ALA 39 HB2 ALA 39 14.467 23.882 -8.287 162 HB3 ALA 39 HB3 ALA 39 15.830 23.070 -7.488 163 H ALA 40 H ALA 40 12.496 21.541 -5.542 164 HA ALA 40 HA ALA 40 10.006 22.977 -6.276 165 HB1 ALA 40 HB1 ALA 40 8.994 20.725 -6.375 166 HB2 ALA 40 HB2 ALA 40 10.376 20.913 -7.456 167 HB3 ALA 40 HB3 ALA 40 10.559 20.006 -5.932 168 H GLY 41 H GLY 41 11.652 23.244 -3.666 169 HA2 GLY 41 HA2 GLY 41 11.061 23.879 -1.553 170 HA3 GLY 41 HA3 GLY 41 9.367 23.660 -1.989 171 H ALA 42 H ALA 42 11.341 20.812 -2.319 172 HA ALA 42 HA ALA 42 9.866 19.468 -0.198 173 HB1 ALA 42 HB1 ALA 42 12.044 18.402 -1.980 174 HB2 ALA 42 HB2 ALA 42 10.687 17.499 -1.270 175 HB3 ALA 42 HB3 ALA 42 10.397 18.653 -2.586 176 H GLN 43 H GLN 43 11.818 17.512 0.491 177 HA GLN 43 HA GLN 43 14.291 18.810 1.486 178 HB2 GLN 43 HB2 GLN 43 14.130 17.731 3.672 179 HB3 GLN 43 HB3 GLN 43 12.923 18.985 3.407 180 HG2 GLN 43 HG2 GLN 43 11.173 17.290 3.039 181 HG3 GLN 43 HG3 GLN 43 12.359 15.990 3.220 182 HE21 GLN 43 HE22 GLN 43 10.743 18.688 4.994 183 HE22 GLN 43 HE21 GLN 43 11.012 17.971 6.576 184 H GLY 44 H GLY 44 14.474 17.650 -0.692 185 HA2 GLY 44 HA2 GLY 44 15.547 15.995 -1.914 186 HA3 GLY 44 HA3 GLY 44 16.023 15.225 -0.387 187 H GLU 45 H GLU 45 15.482 13.323 -1.950 188 HA GLU 45 HA GLU 45 12.691 12.506 -2.078 189 HB2 GLU 45 HB2 GLU 45 15.266 10.982 -2.631 190 HB3 GLU 45 HB3 GLU 45 13.645 10.394 -2.994 191 HG2 GLU 45 HG2 GLU 45 13.285 12.204 -4.596 192 HG3 GLU 45 HG3 GLU 45 14.897 12.853 -4.261 193 H MET 46 H MET 46 13.944 13.027 0.583 194 HA MET 46 HA MET 46 14.428 10.525 1.923 195 HB2 MET 46 HB2 MET 46 15.627 12.521 2.262 196 HB3 MET 46 HB3 MET 46 14.185 13.322 2.936 197 HG2 MET 46 HG2 MET 46 14.266 11.831 4.891 198 HG3 MET 46 HG3 MET 46 15.539 10.876 4.139 199 HE1 MET 46 HE1 MET 46 15.132 14.885 4.379 200 HE2 MET 46 HE2 MET 46 14.523 14.209 5.908 201 HE3 MET 46 HE3 MET 46 16.025 15.159 5.887 202 H PHE 47 H PHE 47 12.088 10.026 0.967 203 HA PHE 47 HA PHE 47 10.338 9.326 3.137 204 HB2 PHE 47 HB2 PHE 47 8.364 10.786 2.281 205 HB3 PHE 47 HB3 PHE 47 9.545 11.407 3.397 206 HD1 PHE 47 HD1 PHE 47 9.406 11.097 -0.367 207 HD2 PHE 47 HD2 PHE 47 10.085 13.645 3.047 208 HE1 PHE 47 HE1 PHE 47 9.914 13.018 -1.881 209 HE2 PHE 47 HE2 PHE 47 10.581 15.538 1.520 210 HZ PHE 47 HZ PHE 47 10.483 15.217 -0.917 211 H THR 48 H THR 48 8.074 8.637 2.218 212 HA THR 48 HA THR 48 8.545 6.399 0.582 213 HB THR 48 HB THR 48 5.698 7.295 0.875 214 HG1 THR 48 HG1 THR 48 5.724 7.009 3.111 215 HG21 THR 48 HG21 THR 48 5.457 5.061 1.891 216 HG22 THR 48 HG22 THR 48 6.266 4.938 0.329 217 HG23 THR 48 HG23 THR 48 7.213 4.820 1.832 218 H VAL 49 H VAL 49 7.309 5.695 -1.304 219 HA VAL 49 HA VAL 49 7.795 7.032 -3.655 220 HB VAL 49 HB VAL 49 5.543 5.069 -3.073 221 HG11 VAL 49 HG11 VAL 49 5.015 6.075 -5.195 222 HG12 VAL 49 HG12 VAL 49 6.706 6.007 -5.719 223 HG13 VAL 49 HG13 VAL 49 5.760 4.512 -5.524 224 HG21 VAL 49 HG21 VAL 49 7.671 4.101 -2.488 225 HG22 VAL 49 HG22 VAL 49 7.185 3.435 -4.043 226 HG23 VAL 49 HG23 VAL 49 8.422 4.712 -3.972 227 H LYS 50 H LYS 50 4.753 7.175 -1.827 228 HA LYS 50 HA LYS 50 3.357 8.841 -3.686 229 HB2 LYS 50 HB2 LYS 50 2.948 8.476 -0.676 230 HB3 LYS 50 HB3 LYS 50 1.753 9.174 -1.764 231 HG2 LYS 50 HG2 LYS 50 1.381 7.107 -2.901 232 HG3 LYS 50 HG3 LYS 50 2.759 6.315 -2.138 233 HD2 LYS 50 HD2 LYS 50 0.334 7.331 -0.601 234 HD3 LYS 50 HD3 LYS 50 0.525 5.673 -1.189 235 HE2 LYS 50 HE2 LYS 50 2.589 5.397 0.157 236 HE3 LYS 50 HE3 LYS 50 2.453 7.048 0.758 237 HZ1 LYS 50 HZ1 LYS 50 1.506 5.455 2.339 238 HZ2 LYS 50 HZ2 LYS 50 0.315 6.423 1.788 239 HZ3 LYS 50 HZ3 LYS 50 0.448 4.892 1.234 240 H GLU 51 H GLU 51 5.545 9.676 -1.100 241 HA GLU 51 HA GLU 51 4.843 12.539 -1.209 242 HB2 GLU 51 HB2 GLU 51 7.119 11.067 0.193 243 HB3 GLU 51 HB3 GLU 51 6.728 12.776 0.383 244 HG2 GLU 51 HG2 GLU 51 5.009 10.397 1.203 245 HG3 GLU 51 HG3 GLU 51 5.909 11.461 2.268 246 H VAL 52 H VAL 52 7.624 10.450 -2.368 247 HA VAL 52 HA VAL 52 8.996 12.666 -3.627 248 HB VAL 52 HB VAL 52 9.988 11.159 -5.122 249 HG11 VAL 52 HG11 VAL 52 11.314 9.829 -3.522 250 HG12 VAL 52 HG12 VAL 52 11.013 11.456 -2.926 251 HG13 VAL 52 HG13 VAL 52 10.079 10.078 -2.281 252 HG21 VAL 52 HG21 VAL 52 8.306 9.377 -5.484 253 HG22 VAL 52 HG22 VAL 52 9.854 8.739 -4.950 254 HG23 VAL 52 HG23 VAL 52 8.544 8.903 -3.773 255 H MET 53 H MET 53 6.570 10.553 -4.958 256 HA MET 53 HA MET 53 6.582 11.855 -7.523 257 HB2 MET 53 HB2 MET 53 4.740 10.600 -8.159 258 HB3 MET 53 HB3 MET 53 5.694 9.568 -7.098 259 HG2 MET 53 HG2 MET 53 4.143 10.138 -5.229 260 HG3 MET 53 HG3 MET 53 3.145 11.067 -6.345 261 HE1 MET 53 HE1 MET 53 1.669 10.090 -8.241 262 HE2 MET 53 HE2 MET 53 3.087 9.347 -9.012 263 HE3 MET 53 HE3 MET 53 1.637 8.373 -8.702 264 H HIS 54 H HIS 54 4.988 12.820 -4.564 265 HA HIS 54 HA HIS 54 3.180 14.797 -5.699 266 HB2 HIS 54 HB2 HIS 54 2.560 14.175 -3.544 267 HB3 HIS 54 HB3 HIS 54 4.185 14.014 -2.989 268 HD2 HIS 54 HD2 HIS 54 4.925 15.701 -1.294 269 HE1 HIS 54 HE1 HIS 54 2.884 19.155 -2.705 270 HE2 HIS 54 HE2 HIS 54 4.476 18.267 -0.932 271 H TYR 55 H TYR 55 6.287 15.315 -3.895 272 HA TYR 55 HA TYR 55 6.780 17.883 -4.804 273 HB2 TYR 55 HB2 TYR 55 8.851 15.746 -4.228 274 HB3 TYR 55 HB3 TYR 55 9.139 17.483 -4.284 275 HD1 TYR 55 HD2 TYR 55 7.878 18.995 -2.634 276 HD2 TYR 55 HD1 TYR 55 8.219 14.741 -2.212 277 HE1 TYR 55 HE2 TYR 55 7.177 19.205 -0.253 278 HE2 TYR 55 HE1 TYR 55 7.483 14.931 0.182 279 HH TYR 55 HH TYR 55 6.729 18.086 1.709 280 H LEU 56 H LEU 56 7.567 14.858 -6.586 281 HA LEU 56 HA LEU 56 8.976 16.193 -8.702 282 HB2 LEU 56 HB2 LEU 56 9.243 13.825 -8.246 283 HB3 LEU 56 HB3 LEU 56 7.535 13.529 -8.588 284 HG LEU 56 HG LEU 56 7.831 14.050 -10.934 285 HD11 LEU 56 HD11 LEU 56 10.039 14.448 -11.919 286 HD12 LEU 56 HD12 LEU 56 9.602 15.774 -10.853 287 HD13 LEU 56 HD13 LEU 56 10.767 14.552 -10.294 288 HD21 LEU 56 HD21 LEU 56 10.052 12.196 -9.971 289 HD22 LEU 56 HD22 LEU 56 8.337 11.760 -10.095 290 HD23 LEU 56 HD23 LEU 56 9.251 12.167 -11.559 291 H GLY 57 H GLY 57 5.466 15.323 -8.379 292 HA2 GLY 57 HA2 GLY 57 4.581 16.275 -10.896 293 HA3 GLY 57 HA3 GLY 57 3.641 16.292 -9.399 294 H GLN 58 H GLN 58 4.920 18.121 -7.788 295 HA GLN 58 HA GLN 58 4.315 20.608 -9.105 296 HB2 GLN 58 HB2 GLN 58 4.487 21.703 -7.112 297 HB3 GLN 58 HB3 GLN 58 3.881 20.100 -6.716 298 HG2 GLN 58 HG2 GLN 58 6.318 19.527 -6.102 299 HG3 GLN 58 HG3 GLN 58 6.654 21.252 -6.218 300 HE21 GLN 58 HE22 GLN 58 7.296 20.771 -3.802 301 HE22 GLN 58 HE21 GLN 58 5.989 20.748 -2.641 302 H TYR 59 H TYR 59 7.464 18.991 -8.535 303 HA TYR 59 HA TYR 59 9.136 21.121 -9.429 304 HB2 TYR 59 HB2 TYR 59 9.992 18.930 -8.550 305 HB3 TYR 59 HB3 TYR 59 9.448 18.142 -10.008 306 HD1 TYR 59 HD1 TYR 59 10.498 18.744 -12.264 307 HD2 TYR 59 HD2 TYR 59 12.128 20.061 -8.489 308 HE1 TYR 59 HE1 TYR 59 12.689 19.194 -13.358 309 HE2 TYR 59 HE2 TYR 59 14.298 20.508 -9.597 310 HH TYR 59 HH TYR 59 14.924 19.774 -13.033 311 H ILE 60 H ILE 60 7.557 18.524 -11.418 312 HA ILE 60 HA ILE 60 8.367 19.590 -13.939 313 HB ILE 60 HB ILE 60 5.864 18.002 -13.267 314 HG12 ILE 60 HG12 ILE 60 8.356 16.754 -14.468 315 HG13 ILE 60 HG13 ILE 60 8.280 16.987 -12.731 316 HG21 ILE 60 HG21 ILE 60 5.662 18.976 -15.505 317 HG22 ILE 60 HG22 ILE 60 7.302 18.447 -15.929 318 HG23 ILE 60 HG23 ILE 60 6.009 17.261 -15.682 319 HD11 ILE 60 HD11 ILE 60 6.269 15.408 -14.381 320 HD12 ILE 60 HD12 ILE 60 7.448 14.779 -13.214 321 HD13 ILE 60 HD13 ILE 60 6.095 15.777 -12.652 322 H MET 61 H MET 61 5.450 20.262 -11.965 323 HA MET 61 HA MET 61 4.192 21.984 -13.826 324 HB2 MET 61 HB2 MET 61 3.274 20.832 -11.733 325 HB3 MET 61 HB3 MET 61 3.979 22.160 -10.805 326 HG2 MET 61 HG2 MET 61 1.660 22.613 -11.178 327 HG3 MET 61 HG3 MET 61 2.580 23.766 -12.135 328 HE1 MET 61 HE1 MET 61 1.331 24.509 -14.182 329 HE2 MET 61 HE2 MET 61 2.760 23.664 -14.816 330 HE3 MET 61 HE3 MET 61 1.174 23.415 -15.573 331 H VAL 62 H VAL 62 6.719 22.794 -11.362 332 HA VAL 62 HA VAL 62 6.569 25.680 -11.939 333 HB VAL 62 HB VAL 62 8.455 24.001 -10.330 334 HG11 VAL 62 HG11 VAL 62 9.756 25.923 -11.118 335 HG12 VAL 62 HG12 VAL 62 8.439 27.031 -10.664 336 HG13 VAL 62 HG13 VAL 62 9.349 26.149 -9.419 337 HG21 VAL 62 HG21 VAL 62 6.384 26.086 -9.505 338 HG22 VAL 62 HG22 VAL 62 6.173 24.332 -9.363 339 HG23 VAL 62 HG23 VAL 62 7.417 25.143 -8.407 340 H LYS 63 H LYS 63 8.859 23.036 -12.621 341 HA LYS 63 HA LYS 63 10.624 24.592 -14.273 342 HB2 LYS 63 HB2 LYS 63 10.651 22.036 -13.050 343 HB3 LYS 63 HB3 LYS 63 10.610 21.663 -14.748 344 HG2 LYS 63 HG2 LYS 63 12.900 21.797 -14.182 345 HG3 LYS 63 HG3 LYS 63 12.592 23.371 -14.940 346 HD2 LYS 63 HD2 LYS 63 12.132 24.269 -12.573 347 HD3 LYS 63 HD3 LYS 63 12.663 22.724 -11.941 348 HE2 LYS 63 HE2 LYS 63 14.341 24.651 -13.636 349 HE3 LYS 63 HE3 LYS 63 14.445 24.466 -11.886 350 HZ1 LYS 63 HZ1 LYS 63 16.190 23.196 -12.891 351 HZ2 LYS 63 HZ2 LYS 63 15.128 22.101 -12.297 352 HZ3 LYS 63 HZ3 LYS 63 15.201 22.395 -13.911 353 H GLN 64 H GLN 64 7.613 23.154 -14.969 354 HA GLN 64 HA GLN 64 6.360 22.857 -16.755 355 HB2 GLN 64 HB2 GLN 64 5.968 24.808 -18.125 356 HB3 GLN 64 HB3 GLN 64 6.118 25.155 -16.411 357 HG2 GLN 64 HG2 GLN 64 8.608 25.785 -17.002 358 HG3 GLN 64 HG3 GLN 64 8.021 25.863 -18.656 359 HE21 GLN 64 HE22 GLN 64 7.572 27.088 -15.292 360 HE22 GLN 64 HE21 GLN 64 6.847 28.618 -15.769 361 H LEU 65 H LEU 65 8.333 21.216 -16.928 362 HA LEU 65 HA LEU 65 9.657 21.279 -19.528 363 HB2 LEU 65 HB2 LEU 65 9.676 19.341 -17.169 364 HB3 LEU 65 HB3 LEU 65 10.593 19.032 -18.625 365 HG LEU 65 HG LEU 65 11.014 21.480 -16.897 366 HD11 LEU 65 HD11 LEU 65 12.579 18.872 -17.016 367 HD12 LEU 65 HD12 LEU 65 13.008 20.316 -16.074 368 HD13 LEU 65 HD13 LEU 65 11.544 19.406 -15.679 369 HD21 LEU 65 HD21 LEU 65 11.797 21.840 -19.190 370 HD22 LEU 65 HD22 LEU 65 13.167 21.656 -18.091 371 HD23 LEU 65 HD23 LEU 65 12.692 20.307 -19.146 372 H TYR 66 H TYR 66 7.137 21.296 -20.280 373 HA TYR 66 HA TYR 66 6.511 18.558 -21.232 374 HB2 TYR 66 HB2 TYR 66 4.097 18.987 -20.691 375 HB3 TYR 66 HB3 TYR 66 5.149 18.688 -19.330 376 HD1 TYR 66 HD1 TYR 66 3.882 21.700 -21.283 377 HD2 TYR 66 HD2 TYR 66 4.771 19.959 -17.435 378 HE1 TYR 66 HE1 TYR 66 3.159 23.793 -20.171 379 HE2 TYR 66 HE2 TYR 66 3.976 22.039 -16.320 380 HH TYR 66 HH TYR 66 2.822 24.886 -18.177 381 H ASP 67 H ASP 67 4.719 18.567 -22.899 382 HA ASP 67 HA ASP 67 5.356 20.566 -24.948 383 HB2 ASP 67 HB2 ASP 67 4.466 17.907 -25.034 384 HB3 ASP 67 HB3 ASP 67 3.040 18.814 -25.469 385 H GLN 68 H GLN 68 3.991 22.277 -25.713 386 HA GLN 68 HA GLN 68 2.158 23.442 -24.085 387 HB2 GLN 68 HB2 GLN 68 3.520 24.125 -26.222 388 HB3 GLN 68 HB3 GLN 68 2.110 23.614 -27.141 389 HG2 GLN 68 HG2 GLN 68 1.803 25.462 -24.791 390 HG3 GLN 68 HG3 GLN 68 2.536 26.065 -26.268 391 HE21 GLN 68 HE21 GLN 68 -0.489 24.125 -25.407 392 HE22 GLN 68 HE22 GLN 68 -1.478 25.048 -26.533 393 H GLN 69 H GLN 69 1.420 21.170 -26.804 394 HA GLN 69 HA GLN 69 -1.463 21.415 -26.371 395 HB2 GLN 69 HB2 GLN 69 0.172 19.596 -28.193 396 HB3 GLN 69 HB3 GLN 69 -1.581 19.659 -28.135 397 HG2 GLN 69 HG2 GLN 69 -1.085 21.006 -29.955 398 HG3 GLN 69 HG3 GLN 69 -1.460 22.143 -28.670 399 HE21 GLN 69 HE22 GLN 69 -0.290 23.693 -30.164 400 HE22 GLN 69 HE21 GLN 69 1.466 23.726 -30.089 401 H GLU 70 H GLU 70 0.863 19.708 -24.689 402 HA GLU 70 HA GLU 70 -1.094 17.972 -23.412 403 HB2 GLU 70 HB2 GLU 70 0.233 15.844 -23.865 404 HB3 GLU 70 HB3 GLU 70 -0.907 16.426 -25.065 405 HG2 GLU 70 HG2 GLU 70 0.984 17.409 -26.393 406 HG3 GLU 70 HG3 GLU 70 2.115 16.714 -25.232 407 H GLN 71 H GLN 71 -0.481 19.239 -21.697 408 HA GLN 71 HA GLN 71 1.987 19.281 -20.345 409 HB2 GLN 71 HB2 GLN 71 -0.879 19.222 -19.307 410 HB3 GLN 71 HB3 GLN 71 0.528 19.485 -18.287 411 HG2 GLN 71 HG2 GLN 71 -0.413 21.633 -18.788 412 HG3 GLN 71 HG3 GLN 71 1.150 21.487 -19.572 413 HE21 GLN 71 HE22 GLN 71 0.734 23.073 -21.208 414 HE22 GLN 71 HE21 GLN 71 -0.385 22.712 -22.519 415 H HIS 72 H HIS 72 -0.165 16.593 -20.843 416 HA HIS 72 HA HIS 72 0.629 14.933 -18.683 417 HB2 HIS 72 HB2 HIS 72 -1.032 13.680 -19.491 418 HB3 HIS 72 HB3 HIS 72 -1.238 14.817 -20.795 419 HD2 HIS 72 HD2 HIS 72 -0.310 11.241 -20.151 420 HE1 HIS 72 HE1 HIS 72 0.973 11.962 -24.154 421 HE2 HIS 72 HE2 HIS 72 0.568 10.166 -22.396 422 H MET 73 H MET 73 2.285 15.733 -21.647 423 HA MET 73 HA MET 73 4.160 13.440 -21.377 424 HB2 MET 73 HB2 MET 73 3.024 13.703 -23.550 425 HB3 MET 73 HB3 MET 73 3.682 15.341 -23.700 426 HG2 MET 73 HG2 MET 73 5.013 13.771 -25.003 427 HG3 MET 73 HG3 MET 73 5.972 14.428 -23.680 428 HE1 MET 73 HE1 MET 73 7.127 11.946 -25.185 429 HE2 MET 73 HE2 MET 73 7.816 12.767 -23.763 430 HE3 MET 73 HE3 MET 73 7.647 10.995 -23.777 431 H VAL 74 H VAL 74 6.192 13.762 -20.697 432 HA VAL 74 HA VAL 74 7.043 16.541 -20.048 433 HB VAL 74 HB VAL 74 7.917 13.959 -18.697 434 HG11 VAL 74 HG11 VAL 74 9.399 15.957 -18.388 435 HG12 VAL 74 HG12 VAL 74 8.014 16.829 -17.698 436 HG13 VAL 74 HG13 VAL 74 8.654 15.391 -16.893 437 HG21 VAL 74 HG21 VAL 74 5.509 14.162 -18.297 438 HG22 VAL 74 HG22 VAL 74 6.378 14.625 -16.838 439 HG23 VAL 74 HG23 VAL 74 5.689 15.884 -17.888 440 H TYR 75 H TYR 75 8.932 17.280 -20.666 441 HA TYR 75 HA TYR 75 10.937 15.647 -22.155 442 HB2 TYR 75 HB2 TYR 75 9.574 18.237 -23.002 443 HB3 TYR 75 HB3 TYR 75 11.112 17.698 -23.671 444 HD1 TYR 75 HD1 TYR 75 11.204 15.171 -24.424 445 HD2 TYR 75 HD2 TYR 75 7.614 17.562 -24.207 446 HE1 TYR 75 HE1 TYR 75 10.100 13.632 -25.982 447 HE2 TYR 75 HE2 TYR 75 6.518 16.045 -25.856 448 HH TYR 75 HH TYR 75 8.208 13.216 -27.280 449 H CYS 76 H CYS 76 12.520 15.693 -20.786 450 HA CYS 76 HA CYS 76 13.166 17.992 -19.053 451 HB2 CYS 76 HB2 CYS 76 13.922 15.065 -19.127 452 HB3 CYS 76 HB3 CYS 76 14.508 16.186 -17.883 453 HG CYS 76 HG CYS 76 12.570 14.640 -16.937 454 H GLY 77 H GLY 77 14.010 18.135 -21.908 455 HA2 GLY 77 HA2 GLY 77 16.583 17.179 -22.354 456 HA3 GLY 77 HA3 GLY 77 15.888 18.561 -23.198 457 H GLY 78 H GLY 78 18.431 17.567 -21.353 458 HA2 GLY 78 HA2 GLY 78 20.243 18.624 -20.449 459 HA3 GLY 78 HA3 GLY 78 19.571 20.181 -20.932 460 H ASP 79 H ASP 79 17.418 18.354 -18.803 461 HA ASP 79 HA ASP 79 18.054 20.303 -16.676 462 HB2 ASP 79 HB2 ASP 79 15.749 20.152 -17.649 463 HB3 ASP 79 HB3 ASP 79 15.614 18.535 -16.951 464 H LEU 80 H LEU 80 18.228 19.749 -14.526 465 HA LEU 80 HA LEU 80 19.785 17.479 -13.853 466 HB2 LEU 80 HB2 LEU 80 18.260 19.538 -12.233 467 HB3 LEU 80 HB3 LEU 80 19.033 18.149 -11.485 468 HG LEU 80 HG LEU 80 21.225 18.771 -12.425 469 HD11 LEU 80 HD11 LEU 80 21.562 21.116 -13.213 470 HD12 LEU 80 HD12 LEU 80 20.638 20.148 -14.356 471 HD13 LEU 80 HD13 LEU 80 19.800 21.322 -13.306 472 HD21 LEU 80 HD21 LEU 80 20.584 19.417 -10.146 473 HD22 LEU 80 HD22 LEU 80 21.599 20.662 -10.882 474 HD23 LEU 80 HD23 LEU 80 19.843 20.916 -10.758 475 H LEU 81 H LEU 81 16.270 17.845 -14.013 476 HA LEU 81 HA LEU 81 15.634 15.410 -12.594 477 HB2 LEU 81 HB2 LEU 81 14.001 17.181 -12.951 478 HB3 LEU 81 HB3 LEU 81 14.126 17.005 -14.706 479 HG LEU 81 HG LEU 81 13.156 14.722 -14.549 480 HD11 LEU 81 HD11 LEU 81 13.901 14.173 -12.218 481 HD12 LEU 81 HD12 LEU 81 12.745 15.360 -11.593 482 HD13 LEU 81 HD13 LEU 81 12.183 13.908 -12.468 483 HD21 LEU 81 HD21 LEU 81 11.698 16.737 -14.844 484 HD22 LEU 81 HD22 LEU 81 10.888 15.371 -14.061 485 HD23 LEU 81 HD23 LEU 81 11.434 16.748 -13.087 486 H GLY 82 H GLY 82 16.401 16.101 -16.018 487 HA2 GLY 82 HA2 GLY 82 15.897 13.411 -17.030 488 HA3 GLY 82 HA3 GLY 82 16.871 14.674 -17.799 489 H GLU 83 H GLU 83 18.793 15.152 -15.691 490 HA GLU 83 HA GLU 83 20.616 12.968 -15.969 491 HB2 GLU 83 HB2 GLU 83 21.356 15.212 -15.754 492 HB3 GLU 83 HB3 GLU 83 20.348 15.483 -14.345 493 HG2 GLU 83 HG2 GLU 83 22.605 15.410 -13.689 494 HG3 GLU 83 HG3 GLU 83 21.673 14.103 -12.967 495 H LEU 84 H LEU 84 18.365 13.895 -13.321 496 HA LEU 84 HA LEU 84 19.189 11.956 -11.437 497 HB2 LEU 84 HB2 LEU 84 17.878 13.939 -10.873 498 HB3 LEU 84 HB3 LEU 84 16.536 13.379 -11.862 499 HG LEU 84 HG LEU 84 16.190 11.459 -10.307 500 HD11 LEU 84 HD11 LEU 84 17.232 11.478 -8.103 501 HD12 LEU 84 HD12 LEU 84 18.487 11.330 -9.337 502 HD13 LEU 84 HD13 LEU 84 18.201 12.897 -8.536 503 HD21 LEU 84 HD21 LEU 84 16.156 14.220 -9.019 504 HD22 LEU 84 HD22 LEU 84 14.895 13.536 -10.069 505 HD23 LEU 84 HD23 LEU 84 15.218 12.805 -8.492 506 H LEU 85 H LEU 85 16.547 11.806 -13.862 507 HA LEU 85 HA LEU 85 15.867 9.036 -13.153 508 HB2 LEU 85 HB2 LEU 85 14.806 11.147 -15.025 509 HB3 LEU 85 HB3 LEU 85 14.454 9.473 -15.395 510 HG LEU 85 HG LEU 85 13.390 9.100 -13.256 511 HD11 LEU 85 HD11 LEU 85 14.545 10.557 -11.732 512 HD12 LEU 85 HD12 LEU 85 14.072 11.994 -12.667 513 HD13 LEU 85 HD13 LEU 85 12.854 11.061 -11.764 514 HD21 LEU 85 HD21 LEU 85 12.384 11.647 -14.591 515 HD22 LEU 85 HD22 LEU 85 12.065 9.994 -15.159 516 HD23 LEU 85 HD23 LEU 85 11.420 10.532 -13.600 517 H GLY 86 H GLY 86 18.037 10.499 -15.490 518 HA2 GLY 86 HA2 GLY 86 19.671 9.414 -16.744 519 HA3 GLY 86 HA3 GLY 86 18.933 7.843 -16.416 520 H ARG 87 H ARG 87 16.642 10.126 -17.467 521 HA ARG 87 HA ARG 87 16.967 9.793 -20.337 522 HB2 ARG 87 HB2 ARG 87 14.602 8.969 -20.689 523 HB3 ARG 87 HB3 ARG 87 15.717 7.764 -20.138 524 HG2 ARG 87 HG2 ARG 87 13.903 9.230 -18.193 525 HG3 ARG 87 HG3 ARG 87 13.321 7.855 -19.114 526 HD2 ARG 87 HD2 ARG 87 15.886 7.480 -17.592 527 HD3 ARG 87 HD3 ARG 87 14.396 7.622 -16.666 528 HE ARG 87 HE ARG 87 14.068 5.689 -18.765 529 HH11 ARG 87 HH11 ARG 87 15.826 6.044 -15.700 530 HH12 ARG 87 HH12 ARG 87 15.678 4.303 -15.396 531 HH21 ARG 87 HH21 ARG 87 14.061 3.461 -18.197 532 HH22 ARG 87 HH22 ARG 87 14.821 3.008 -16.670 533 H GLN 88 H GLN 88 15.845 11.224 -21.568 534 HA GLN 88 HA GLN 88 15.014 13.597 -20.016 535 HB2 GLN 88 HB2 GLN 88 16.007 13.332 -22.860 536 HB3 GLN 88 HB3 GLN 88 15.486 14.859 -22.105 537 HG2 GLN 88 HG2 GLN 88 17.124 14.661 -20.349 538 HG3 GLN 88 HG3 GLN 88 17.639 13.066 -20.916 539 HE21 GLN 88 HE22 GLN 88 18.537 13.009 -23.285 540 HE22 GLN 88 HE21 GLN 88 19.522 14.397 -23.724 541 H SER 89 H SER 89 13.260 11.143 -21.080 542 HA SER 89 HA SER 89 10.949 12.931 -21.028 543 HB2 SER 89 HB2 SER 89 9.831 12.112 -23.035 544 HB3 SER 89 HB3 SER 89 11.330 12.964 -23.406 545 HG SER 89 HG SER 89 11.168 11.009 -24.615 546 H PHE 90 H PHE 90 9.006 12.117 -20.519 547 HA PHE 90 HA PHE 90 8.311 9.348 -20.323 548 HB2 PHE 90 HB2 PHE 90 8.050 9.158 -17.916 549 HB3 PHE 90 HB3 PHE 90 9.725 9.445 -18.311 550 HD1 PHE 90 HD1 PHE 90 10.861 11.550 -17.730 551 HD2 PHE 90 HD2 PHE 90 6.765 10.793 -16.602 552 HE1 PHE 90 HE1 PHE 90 10.996 13.341 -16.016 553 HE2 PHE 90 HE2 PHE 90 6.907 12.592 -14.901 554 HZ PHE 90 HZ PHE 90 9.036 13.845 -14.586 555 H SER 91 H SER 91 6.012 9.271 -19.050 556 HA SER 91 HA SER 91 4.612 11.878 -19.213 557 HB2 SER 91 HB2 SER 91 2.936 11.184 -20.660 558 HB3 SER 91 HB3 SER 91 4.392 10.523 -21.410 559 HG SER 91 HG SER 91 3.013 8.838 -21.373 560 H VAL 92 H VAL 92 2.397 11.778 -18.266 561 HA VAL 92 HA VAL 92 2.359 10.235 -15.793 562 HB VAL 92 HB VAL 92 0.192 11.220 -15.346 563 HG11 VAL 92 HG11 VAL 92 2.087 13.316 -16.490 564 HG12 VAL 92 HG12 VAL 92 0.861 13.540 -15.229 565 HG13 VAL 92 HG13 VAL 92 2.272 12.514 -14.915 566 HG21 VAL 92 HG21 VAL 92 0.374 12.439 -18.126 567 HG22 VAL 92 HG22 VAL 92 -0.810 11.220 -17.596 568 HG23 VAL 92 HG23 VAL 92 -0.835 12.840 -16.891 569 H LYS 93 H LYS 93 1.604 9.304 -18.940 570 HA LYS 93 HA LYS 93 -0.250 7.123 -18.085 571 HB2 LYS 93 HB2 LYS 93 -0.821 8.518 -20.058 572 HB3 LYS 93 HB3 LYS 93 0.647 7.957 -20.872 573 HG2 LYS 93 HG2 LYS 93 -0.164 5.646 -20.834 574 HG3 LYS 93 HG3 LYS 93 -1.583 6.113 -19.889 575 HD2 LYS 93 HD2 LYS 93 -0.963 7.101 -22.712 576 HD3 LYS 93 HD3 LYS 93 -2.011 5.730 -22.325 577 HE2 LYS 93 HE2 LYS 93 -3.477 7.243 -20.975 578 HE3 LYS 93 HE3 LYS 93 -2.479 8.620 -21.457 579 HZ1 LYS 93 HZ1 LYS 93 -4.426 8.395 -22.894 580 HZ2 LYS 93 HZ2 LYS 93 -3.081 8.150 -23.784 581 HZ3 LYS 93 HZ3 LYS 93 -4.007 6.882 -23.329 582 H ASP 94 H ASP 94 3.053 7.720 -19.075 583 HA ASP 94 HA ASP 94 3.738 4.846 -18.620 584 HB2 ASP 94 HB2 ASP 94 3.879 5.516 -20.986 585 HB3 ASP 94 HB3 ASP 94 4.987 6.820 -20.560 586 HA PRO 95 HA PRO 95 6.032 7.555 -15.597 587 HB2 PRO 95 HB2 PRO 95 5.020 6.757 -13.214 588 HB3 PRO 95 HB3 PRO 95 4.112 7.835 -14.316 589 HG2 PRO 95 HG2 PRO 95 3.882 4.808 -14.094 590 HG3 PRO 95 HG3 PRO 95 2.559 6.017 -13.985 591 HD2 PRO 95 HD2 PRO 95 3.153 4.751 -16.324 592 HD3 PRO 95 HD3 PRO 95 2.664 6.473 -16.278 593 H SER 96 H SER 96 6.298 4.369 -16.490 594 HA SER 96 HA SER 96 7.610 2.947 -14.544 595 HB2 SER 96 HB2 SER 96 8.318 3.037 -17.492 596 HB3 SER 96 HB3 SER 96 8.761 1.754 -16.349 597 HG SER 96 HG SER 96 6.792 1.392 -17.614 598 HA PRO 97 HA PRO 97 11.890 5.121 -15.479 599 HB2 PRO 97 HB2 PRO 97 10.664 7.880 -15.819 600 HB3 PRO 97 HB3 PRO 97 12.268 7.295 -16.359 601 HG2 PRO 97 HG2 PRO 97 10.295 7.314 -18.163 602 HG3 PRO 97 HG3 PRO 97 11.226 5.794 -17.978 603 HD2 PRO 97 HD2 PRO 97 8.579 6.539 -16.687 604 HD3 PRO 97 HD3 PRO 97 8.981 5.069 -17.623 605 H LEU 98 H LEU 98 9.172 6.474 -13.587 606 HA LEU 98 HA LEU 98 10.838 7.404 -11.349 607 HB2 LEU 98 HB2 LEU 98 7.877 6.685 -11.602 608 HB3 LEU 98 HB3 LEU 98 8.640 7.110 -10.087 609 HG LEU 98 HG LEU 98 9.197 9.351 -10.925 610 HD11 LEU 98 HD11 LEU 98 8.023 10.213 -12.952 611 HD12 LEU 98 HD12 LEU 98 9.277 9.044 -13.357 612 HD13 LEU 98 HD13 LEU 98 7.565 8.551 -13.377 613 HD21 LEU 98 HD21 LEU 98 6.856 10.150 -10.821 614 HD22 LEU 98 HD22 LEU 98 6.270 8.518 -11.179 615 HD23 LEU 98 HD23 LEU 98 7.127 8.853 -9.657 616 H TYR 99 H TYR 99 8.854 4.475 -12.020 617 HA TYR 99 HA TYR 99 9.582 3.260 -9.555 618 HB2 TYR 99 HB2 TYR 99 8.438 2.010 -12.085 619 HB3 TYR 99 HB3 TYR 99 8.515 1.220 -10.513 620 HD1 TYR 99 HD2 TYR 99 7.374 2.398 -8.500 621 HD2 TYR 99 HD1 TYR 99 6.530 3.390 -12.614 622 HE1 TYR 99 HE2 TYR 99 5.234 3.452 -7.805 623 HE2 TYR 99 HE1 TYR 99 4.385 4.438 -11.909 624 HH TYR 99 HH TYR 99 3.324 4.546 -8.493 625 H ASP 100 H ASP 100 11.157 3.091 -12.710 626 HA ASP 100 HA ASP 100 13.109 1.120 -12.022 627 HB2 ASP 100 HB2 ASP 100 12.567 2.117 -14.290 628 HB3 ASP 100 HB3 ASP 100 13.409 3.578 -13.809 629 H MET 101 H MET 101 12.875 4.551 -11.285 630 HA MET 101 HA MET 101 15.515 4.844 -10.075 631 HB2 MET 101 HB2 MET 101 14.961 6.974 -10.385 632 HB3 MET 101 HB3 MET 101 13.339 6.509 -10.867 633 HG2 MET 101 HG2 MET 101 12.711 6.525 -8.409 634 HG3 MET 101 HG3 MET 101 14.240 7.349 -8.114 635 HE1 MET 101 HE1 MET 101 10.631 7.705 -8.487 636 HE2 MET 101 HE2 MET 101 11.494 8.559 -7.178 637 HE3 MET 101 HE3 MET 101 10.553 9.486 -8.358 638 H LEU 102 H LEU 102 12.283 3.984 -8.898 639 HA LEU 102 HA LEU 102 13.038 4.009 -6.084 640 HB2 LEU 102 HB2 LEU 102 10.545 2.951 -7.473 641 HB3 LEU 102 HB3 LEU 102 10.741 3.165 -5.732 642 HG LEU 102 HG LEU 102 10.949 5.498 -7.663 643 HD11 LEU 102 HD11 LEU 102 8.748 4.601 -7.963 644 HD12 LEU 102 HD12 LEU 102 8.520 4.427 -6.218 645 HD13 LEU 102 HD13 LEU 102 8.642 6.048 -6.965 646 HD21 LEU 102 HD21 LEU 102 11.982 5.950 -5.565 647 HD22 LEU 102 HD22 LEU 102 10.429 6.778 -5.613 648 HD23 LEU 102 HD23 LEU 102 10.595 5.287 -4.660 649 H ARG 103 H ARG 103 12.465 1.369 -8.438 650 HA ARG 103 HA ARG 103 12.550 -0.826 -6.708 651 HB2 ARG 103 HB2 ARG 103 13.011 -2.177 -8.659 652 HB3 ARG 103 HB3 ARG 103 11.889 -0.881 -9.058 653 HG2 ARG 103 HG2 ARG 103 13.164 -0.930 -10.908 654 HG3 ARG 103 HG3 ARG 103 13.896 0.381 -9.996 655 HD2 ARG 103 HD2 ARG 103 15.788 -1.102 -9.380 656 HD3 ARG 103 HD3 ARG 103 14.984 -2.453 -10.210 657 HE ARG 103 HE ARG 103 15.242 -0.275 -12.047 658 HH11 ARG 103 HH11 ARG 103 17.438 -2.544 -10.486 659 HH12 ARG 103 HH12 ARG 103 18.594 -2.391 -11.781 660 HH21 ARG 103 HH21 ARG 103 16.609 -0.168 -13.559 661 HH22 ARG 103 HH22 ARG 103 18.145 -1.045 -13.540 662 H LYS 104 H LYS 104 15.201 1.006 -7.881 663 HA LYS 104 HA LYS 104 17.394 -0.671 -7.010 664 HB2 LYS 104 HB2 LYS 104 17.514 1.044 -8.772 665 HB3 LYS 104 HB3 LYS 104 17.197 2.316 -7.581 666 HG2 LYS 104 HG2 LYS 104 19.328 1.935 -6.500 667 HG3 LYS 104 HG3 LYS 104 19.598 0.446 -7.419 668 HD2 LYS 104 HD2 LYS 104 20.951 2.340 -8.252 669 HD3 LYS 104 HD3 LYS 104 19.870 1.679 -9.487 670 HE2 LYS 104 HE2 LYS 104 18.282 3.524 -9.159 671 HE3 LYS 104 HE3 LYS 104 19.243 4.156 -7.814 672 HZ1 LYS 104 HZ1 LYS 104 19.724 5.356 -9.883 673 HZ2 LYS 104 HZ2 LYS 104 21.065 4.569 -9.394 674 HZ3 LYS 104 HZ3 LYS 104 20.184 3.984 -10.639 675 H ASN 105 H ASN 105 15.365 1.678 -5.321 676 HA ASN 105 HA ASN 105 17.106 1.528 -2.906 677 HB2 ASN 105 HB2 ASN 105 16.244 3.715 -3.711 678 HB3 ASN 105 HB3 ASN 105 14.601 3.189 -3.359 679 HD21 ASN 105 HD21 ASN 105 14.133 2.605 -1.000 680 HD22 ASN 105 HD22 ASN 105 15.053 3.493 0.207 681 H LEU 106 H LEU 106 13.550 1.095 -3.509 682 HA LEU 106 HA LEU 106 13.592 -1.166 -1.566 683 HB2 LEU 106 HB2 LEU 106 11.630 -0.551 -0.535 684 HB3 LEU 106 HB3 LEU 106 12.572 0.922 -0.561 685 HG LEU 106 HG LEU 106 10.258 0.268 -2.461 686 HD11 LEU 106 HD11 LEU 106 10.330 2.063 -0.012 687 HD12 LEU 106 HD12 LEU 106 8.960 1.861 -1.129 688 HD13 LEU 106 HD13 LEU 106 9.506 0.498 -0.143 689 HD21 LEU 106 HD21 LEU 106 11.743 2.896 -1.990 690 HD22 LEU 106 HD22 LEU 106 11.730 1.929 -3.492 691 HD23 LEU 106 HD23 LEU 106 10.253 2.708 -2.941 692 H VAL 107 H VAL 107 12.156 -2.885 -1.920 693 HA VAL 107 HA VAL 107 11.339 -3.356 -4.697 694 HB VAL 107 HB VAL 107 10.736 -4.967 -2.185 695 HG11 VAL 107 HG11 VAL 107 9.100 -5.454 -3.973 696 HG12 VAL 107 HG12 VAL 107 10.422 -5.668 -5.144 697 HG13 VAL 107 HG13 VAL 107 10.227 -6.798 -3.788 698 HG21 VAL 107 HG21 VAL 107 12.485 -6.498 -3.055 699 HG22 VAL 107 HG22 VAL 107 12.836 -5.353 -4.369 700 HG23 VAL 107 HG23 VAL 107 13.157 -4.910 -2.678 701 H THR 108 H THR 108 9.586 -2.493 -5.571 702 HA THR 108 HA THR 108 7.039 -2.292 -4.126 703 HB THR 108 HB THR 108 8.243 -0.220 -3.524 704 HG1 THR 108 HG1 THR 108 6.461 0.997 -3.771 705 HG21 THR 108 HG21 THR 108 9.490 0.266 -5.603 706 HG22 THR 108 HG22 THR 108 7.954 0.580 -6.445 707 HG23 THR 108 HG23 THR 108 8.462 1.622 -5.103 708 H LEU 109 H LEU 109 5.557 -0.890 -5.776 709 HA LEU 109 HA LEU 109 5.011 -2.743 -7.938 710 HB2 LEU 109 HB2 LEU 109 3.866 0.021 -7.363 711 HB3 LEU 109 HB3 LEU 109 3.186 -1.147 -8.489 712 HG LEU 109 HG LEU 109 3.382 -1.510 -5.466 713 HD11 LEU 109 HD11 LEU 109 0.987 -1.028 -7.286 714 HD12 LEU 109 HD12 LEU 109 0.939 -1.292 -5.528 715 HD13 LEU 109 HD13 LEU 109 1.713 0.161 -6.181 716 HD21 LEU 109 HD21 LEU 109 2.114 -3.294 -7.594 717 HD22 LEU 109 HD22 LEU 109 3.507 -3.704 -6.562 718 HD23 LEU 109 HD23 LEU 109 1.913 -3.485 -5.838 719 H ALA 110 H ALA 110 4.720 -2.176 -10.192 720 HA ALA 110 HA ALA 110 6.081 0.134 -11.332 721 HB1 ALA 110 HB1 ALA 110 7.046 -2.679 -12.003 722 HB2 ALA 110 HB2 ALA 110 7.585 -1.168 -12.764 723 HB3 ALA 110 HB3 ALA 110 7.969 -1.478 -11.058 724 H THR 111 H THR 111 6.019 -0.140 -13.874 725 HA THR 111 HA THR 111 3.627 -1.564 -14.851 726 HB THR 111 HB THR 111 2.850 0.462 -13.677 727 HG1 THR 111 HG1 THR 111 1.391 0.937 -15.339 728 HG21 THR 111 HG21 THR 111 4.628 2.084 -14.323 729 HG22 THR 111 HG22 THR 111 4.041 2.041 -16.002 730 HG23 THR 111 HG23 THR 111 2.998 2.656 -14.706 731 HD1 49H 200 HD1 49H 200 1.943 14.913 -13.273 732 HD2 49H 200 HD2 49H 200 1.977 13.076 -9.372 733 HD3 49H 200 HD3 49H 200 0.754 12.034 -12.912 734 HD4 49H 200 HD4 49H 200 -1.524 11.766 -9.272 735 HD5 49H 200 HD5 49H 200 -2.621 14.164 -14.633 736 HE1 49H 200 HE1 49H 200 4.173 13.980 -13.728 737 HE2 49H 200 HE2 49H 200 4.194 12.107 -9.864 738 HE4 49H 200 HE4 49H 200 -1.039 9.346 -9.149 739 HE5 49H 200 HE5 49H 200 -3.051 14.894 -16.909 740 HE6 49H 200 HE6 49H 200 0.101 17.758 -16.638 741 HZ2 49H 200 HZ2 49H 200 0.382 8.270 -10.882 742 HM11 49H 200 HM11 49H 200 -3.820 16.990 -18.308 743 HM12 49H 200 HM12 49H 200 -2.938 17.177 -19.849 744 HM13 49H 200 HM13 49H 200 -3.071 15.566 -19.096 745 HM21 49H 200 HM21 49H 200 3.616 17.202 -16.178 746 HM22 49H 200 HM22 49H 200 3.328 15.998 -14.916 747 HM23 49H 200 HM23 49H 200 2.214 16.136 -16.281 748 HM31 49H 200 HM31 49H 200 2.240 19.070 -13.111 749 HM32 49H 200 HM32 49H 200 3.236 17.610 -13.010 750 HM33 49H 200 HM33 49H 200 3.690 18.932 -14.104 751 HN1 49H 200 HN1 49H 200 -3.421 20.781 -11.760 752 H21 49H 200 H21 49H 200 -1.098 20.408 -13.109 753 H22 49H 200 H22 49H 200 -1.136 21.372 -11.616 754 H31 49H 200 H31 49H 200 0.613 19.569 -11.617 755 H32 49H 200 H32 49H 200 -0.528 19.448 -10.272 756 H41 49H 200 H41 49H 200 -2.539 16.823 -11.467 757 H42 49H 200 H42 49H 200 -2.232 17.422 -13.118 758 H7 49H 200 H7 49H 200 -1.532 13.782 -10.435 759 H8 49H 200 H8 49H 200 0.354 14.916 -9.936 760 H9 49H 200 H9 49H 200 1.671 18.539 -15.476 Start of MODEL 2 1 H1 GLN 23 H GLN 23 17.891 6.242 7.771 2 HA GLN 23 HA GLN 23 17.310 4.256 8.885 3 HB2 GLN 23 HB2 GLN 23 16.667 4.923 11.161 4 HB3 GLN 23 HB3 GLN 23 17.830 6.049 10.470 5 HG2 GLN 23 HG2 GLN 23 16.009 7.663 9.976 6 HG3 GLN 23 HG3 GLN 23 14.814 6.529 10.611 7 HE21 GLN 23 HE22 GLN 23 17.688 8.500 11.568 8 HE22 GLN 23 HE21 GLN 23 17.207 8.602 13.256 9 H ILE 24 H ILE 24 15.258 4.911 6.914 10 HA ILE 24 HA ILE 24 12.964 3.299 7.929 11 HB ILE 24 HB ILE 24 11.533 4.811 6.525 12 HG12 ILE 24 HG12 ILE 24 13.870 6.765 6.723 13 HG13 ILE 24 HG13 ILE 24 13.224 6.040 5.252 14 HG21 ILE 24 HG21 ILE 24 11.068 6.324 8.347 15 HG22 ILE 24 HG22 ILE 24 11.526 4.749 8.994 16 HG23 ILE 24 HG23 ILE 24 12.701 6.087 9.017 17 HD11 ILE 24 HD11 ILE 24 11.953 8.143 7.036 18 HD12 ILE 24 HD12 ILE 24 12.345 8.243 5.312 19 HD13 ILE 24 HD13 ILE 24 10.994 7.235 5.856 20 H ASN 25 H ASN 25 11.497 2.612 6.200 21 HA ASN 25 HA ASN 25 13.085 1.078 4.368 22 HB2 ASN 25 HB2 ASN 25 10.080 1.041 4.803 23 HB3 ASN 25 HB3 ASN 25 11.071 -0.252 4.114 24 HD21 ASN 25 HD22 ASN 25 13.036 -0.859 5.789 25 HD22 ASN 25 HD21 ASN 25 12.487 -1.020 7.450 26 H GLN 26 H GLN 26 13.096 3.709 3.582 27 HA GLN 26 HA GLN 26 11.642 3.889 0.978 28 HB2 GLN 26 HB2 GLN 26 11.848 6.440 2.384 29 HB3 GLN 26 HB3 GLN 26 10.508 5.744 1.495 30 HG2 GLN 26 HG2 GLN 26 11.159 5.053 4.381 31 HG3 GLN 26 HG3 GLN 26 10.203 6.435 3.916 32 HE21 GLN 26 HE22 GLN 26 9.869 3.074 2.472 33 HE22 GLN 26 HE21 GLN 26 8.301 2.865 3.199 34 H VAL 27 H VAL 27 12.485 6.233 0.032 35 HA VAL 27 HA VAL 27 15.360 5.696 -0.467 36 HB VAL 27 HB VAL 27 14.942 7.797 -2.049 37 HG11 VAL 27 HG11 VAL 27 14.332 6.284 -3.876 38 HG12 VAL 27 HG12 VAL 27 15.601 5.619 -2.848 39 HG13 VAL 27 HG13 VAL 27 13.915 5.025 -2.692 40 HG21 VAL 27 HG21 VAL 27 12.130 6.619 -1.991 41 HG22 VAL 27 HG22 VAL 27 12.578 8.213 -1.341 42 HG23 VAL 27 HG23 VAL 27 12.766 7.874 -3.062 43 H ARG 28 H ARG 28 16.799 7.657 -0.646 44 HA ARG 28 HA ARG 28 16.432 9.934 1.066 45 HB2 ARG 28 HB2 ARG 28 16.917 8.012 2.690 46 HB3 ARG 28 HB3 ARG 28 18.448 7.738 1.893 47 HG2 ARG 28 HG2 ARG 28 17.647 10.141 3.569 48 HG3 ARG 28 HG3 ARG 28 18.635 8.783 4.063 49 HD2 ARG 28 HD2 ARG 28 20.282 9.566 2.203 50 HD3 ARG 28 HD3 ARG 28 19.339 11.081 2.259 51 HE ARG 28 HE ARG 28 20.024 10.359 4.913 52 HH11 ARG 28 HH11 ARG 28 21.653 11.637 2.058 53 HH12 ARG 28 HH12 ARG 28 22.925 12.342 3.024 54 HH21 ARG 28 HH21 ARG 28 21.661 11.314 6.047 55 HH22 ARG 28 HH22 ARG 28 22.914 12.183 5.213 56 HA PRO 29 HA PRO 29 19.427 10.711 -2.184 57 HB2 PRO 29 HB2 PRO 29 19.305 13.384 -2.329 58 HB3 PRO 29 HB3 PRO 29 17.799 12.429 -2.421 59 HG2 PRO 29 HG2 PRO 29 19.015 13.715 0.066 60 HG3 PRO 29 HG3 PRO 29 17.384 13.978 -0.602 61 HD2 PRO 29 HD2 PRO 29 17.887 12.123 1.350 62 HD3 PRO 29 HD3 PRO 29 16.679 11.817 0.091 63 H LYS 30 H LYS 30 21.241 12.078 -2.819 64 HA LYS 30 HA LYS 30 23.297 12.706 -0.731 65 HB2 LYS 30 HB2 LYS 30 23.826 10.978 -2.526 66 HB3 LYS 30 HB3 LYS 30 23.645 12.249 -3.736 67 HG2 LYS 30 HG2 LYS 30 25.529 13.505 -2.625 68 HG3 LYS 30 HG3 LYS 30 25.684 12.174 -1.462 69 HD2 LYS 30 HD2 LYS 30 26.163 10.616 -3.350 70 HD3 LYS 30 HD3 LYS 30 26.013 11.972 -4.492 71 HE2 LYS 30 HE2 LYS 30 27.890 13.139 -3.352 72 HE3 LYS 30 HE3 LYS 30 28.028 11.807 -2.199 73 HZ1 LYS 30 HZ1 LYS 30 29.644 11.585 -4.000 74 HZ2 LYS 30 HZ2 LYS 30 28.600 10.336 -4.063 75 HZ3 LYS 30 HZ3 LYS 30 28.473 11.565 -5.134 76 H LEU 31 H LEU 31 24.434 14.859 -1.174 77 HA LEU 31 HA LEU 31 22.544 16.886 -1.235 78 HB2 LEU 31 HB2 LEU 31 25.518 17.138 -1.796 79 HB3 LEU 31 HB3 LEU 31 24.443 18.488 -1.459 80 HG LEU 31 HG LEU 31 25.053 16.200 0.461 81 HD11 LEU 31 HD11 LEU 31 25.906 19.124 0.483 82 HD12 LEU 31 HD12 LEU 31 26.283 17.907 1.724 83 HD13 LEU 31 HD13 LEU 31 26.949 17.738 0.092 84 HD21 LEU 31 HD21 LEU 31 23.398 18.734 0.850 85 HD22 LEU 31 HD22 LEU 31 22.811 17.055 0.936 86 HD23 LEU 31 HD23 LEU 31 23.931 17.654 2.156 87 HA PRO 32 HA PRO 32 23.205 18.059 -5.845 88 HB2 PRO 32 HB2 PRO 32 23.956 15.405 -7.042 89 HB3 PRO 32 HB3 PRO 32 24.481 17.051 -7.513 90 HG2 PRO 32 HG2 PRO 32 26.163 15.441 -6.143 91 HG3 PRO 32 HG3 PRO 32 26.006 17.166 -5.662 92 HD2 PRO 32 HD2 PRO 32 24.593 14.756 -4.468 93 HD3 PRO 32 HD3 PRO 32 25.528 16.029 -3.631 94 H LEU 33 H LEU 33 21.894 14.942 -4.814 95 HA LEU 33 HA LEU 33 19.635 15.070 -6.731 96 HB2 LEU 33 HB2 LEU 33 20.473 13.106 -4.573 97 HB3 LEU 33 HB3 LEU 33 18.892 13.053 -5.339 98 HG LEU 33 HG LEU 33 19.938 12.767 -7.563 99 HD11 LEU 33 HD11 LEU 33 22.548 12.559 -6.004 100 HD12 LEU 33 HD12 LEU 33 22.316 11.987 -7.670 101 HD13 LEU 33 HD13 LEU 33 22.156 13.701 -7.317 102 HD21 LEU 33 HD21 LEU 33 19.197 10.840 -6.193 103 HD22 LEU 33 HD22 LEU 33 20.581 10.426 -7.212 104 HD23 LEU 33 HD23 LEU 33 20.820 10.726 -5.476 105 H LEU 34 H LEU 34 20.227 15.608 -3.248 106 HA LEU 34 HA LEU 34 17.555 16.311 -2.507 107 HB2 LEU 34 HB2 LEU 34 19.366 15.808 -0.957 108 HB3 LEU 34 HB3 LEU 34 20.271 17.208 -1.451 109 HG LEU 34 HG LEU 34 17.510 17.681 -0.237 110 HD11 LEU 34 HD11 LEU 34 18.523 17.650 2.003 111 HD12 LEU 34 HD12 LEU 34 18.583 16.042 1.271 112 HD13 LEU 34 HD13 LEU 34 20.051 17.043 1.327 113 HD21 LEU 34 HD21 LEU 34 18.722 19.636 0.711 114 HD22 LEU 34 HD22 LEU 34 20.210 19.119 -0.095 115 HD23 LEU 34 HD23 LEU 34 18.801 19.632 -1.049 116 H LYS 35 H LYS 35 20.067 18.156 -4.154 117 HA LYS 35 HA LYS 35 19.006 20.772 -4.084 118 HB2 LYS 35 HB2 LYS 35 21.194 19.545 -5.201 119 HB3 LYS 35 HB3 LYS 35 20.224 19.728 -6.644 120 HG2 LYS 35 HG2 LYS 35 21.687 21.576 -6.505 121 HG3 LYS 35 HG3 LYS 35 20.079 22.214 -6.133 122 HD2 LYS 35 HD2 LYS 35 20.593 22.399 -3.789 123 HD3 LYS 35 HD3 LYS 35 22.013 21.340 -3.937 124 HE2 LYS 35 HE2 LYS 35 23.160 22.994 -5.328 125 HE3 LYS 35 HE3 LYS 35 21.753 24.067 -5.275 126 HZ1 LYS 35 HZ1 LYS 35 22.078 24.262 -2.858 127 HZ2 LYS 35 HZ2 LYS 35 23.380 23.272 -2.908 128 HZ3 LYS 35 HZ3 LYS 35 23.429 24.727 -3.640 129 H ILE 36 H ILE 36 18.163 18.083 -6.172 130 HA ILE 36 HA ILE 36 16.497 19.504 -8.047 131 HB ILE 36 HB ILE 36 16.529 16.525 -7.382 132 HG12 ILE 36 HG12 ILE 36 18.242 18.072 -9.378 133 HG13 ILE 36 HG13 ILE 36 18.819 17.414 -7.859 134 HG21 ILE 36 HG21 ILE 36 15.706 16.173 -9.641 135 HG22 ILE 36 HG22 ILE 36 14.615 17.284 -8.827 136 HG23 ILE 36 HG23 ILE 36 15.801 17.906 -9.999 137 HD11 ILE 36 HD11 ILE 36 17.911 15.793 -10.224 138 HD12 ILE 36 HD12 ILE 36 19.536 15.926 -9.486 139 HD13 ILE 36 HD13 ILE 36 18.237 15.123 -8.591 140 H LEU 37 H LEU 37 15.772 17.440 -5.199 141 HA LEU 37 HA LEU 37 12.928 18.016 -5.301 142 HB2 LEU 37 HB2 LEU 37 14.811 16.544 -3.454 143 HB3 LEU 37 HB3 LEU 37 13.288 17.036 -2.820 144 HG LEU 37 HG LEU 37 13.284 14.739 -3.651 145 HD11 LEU 37 HD11 LEU 37 11.157 14.780 -4.763 146 HD12 LEU 37 HD12 LEU 37 11.203 16.003 -3.485 147 HD13 LEU 37 HD13 LEU 37 11.358 16.490 -5.194 148 HD21 LEU 37 HD21 LEU 37 13.164 14.149 -5.947 149 HD22 LEU 37 HD22 LEU 37 13.415 15.832 -6.466 150 HD23 LEU 37 HD23 LEU 37 14.722 14.943 -5.638 151 H HIS 38 H HIS 38 15.648 19.643 -3.650 152 HA HIS 38 HA HIS 38 14.015 21.541 -2.196 153 HB2 HIS 38 HB2 HIS 38 16.900 21.364 -3.047 154 HB3 HIS 38 HB3 HIS 38 16.262 22.941 -2.635 155 HD2 HIS 38 HD2 HIS 38 14.934 19.982 -0.583 156 HE1 HIS 38 HE1 HIS 38 17.523 22.253 1.941 157 HE2 HIS 38 HE2 HIS 38 15.829 20.366 1.882 158 H ALA 39 H ALA 39 15.251 21.620 -5.591 159 HA ALA 39 HA ALA 39 14.235 24.195 -6.194 160 HB1 ALA 39 HB1 ALA 39 14.323 23.483 -8.523 161 HB2 ALA 39 HB2 ALA 39 15.739 22.840 -7.663 162 HB3 ALA 39 HB3 ALA 39 14.355 21.784 -8.047 163 H ALA 40 H ALA 40 12.497 21.221 -5.639 164 HA ALA 40 HA ALA 40 9.922 22.418 -6.484 165 HB1 ALA 40 HB1 ALA 40 9.068 20.121 -6.330 166 HB2 ALA 40 HB2 ALA 40 10.473 20.246 -7.389 167 HB3 ALA 40 HB3 ALA 40 10.654 19.555 -5.758 168 H GLY 41 H GLY 41 11.573 22.984 -3.863 169 HA2 GLY 41 HA2 GLY 41 10.969 23.743 -1.796 170 HA3 GLY 41 HA3 GLY 41 9.278 23.506 -2.239 171 H ALA 42 H ALA 42 11.266 20.629 -2.347 172 HA ALA 42 HA ALA 42 9.729 19.429 -0.193 173 HB1 ALA 42 HB1 ALA 42 10.327 18.446 -2.496 174 HB2 ALA 42 HB2 ALA 42 11.965 18.269 -1.845 175 HB3 ALA 42 HB3 ALA 42 10.619 17.388 -1.096 176 H GLN 43 H GLN 43 11.554 17.559 0.766 177 HA GLN 43 HA GLN 43 13.989 18.911 1.854 178 HB2 GLN 43 HB2 GLN 43 12.002 17.286 3.516 179 HB3 GLN 43 HB3 GLN 43 13.573 17.876 4.074 180 HG2 GLN 43 HG2 GLN 43 12.804 20.222 3.748 181 HG3 GLN 43 HG3 GLN 43 11.211 19.624 3.260 182 HE21 GLN 43 HE22 GLN 43 10.051 18.172 4.923 183 HE22 GLN 43 HE21 GLN 43 10.290 18.604 6.611 184 H GLY 44 H GLY 44 14.693 17.718 -0.107 185 HA2 GLY 44 HA2 GLY 44 16.052 16.047 -0.930 186 HA3 GLY 44 HA3 GLY 44 16.034 15.292 0.671 187 H GLU 45 H GLU 45 15.706 13.226 -0.033 188 HA GLU 45 HA GLU 45 13.068 12.482 -1.197 189 HB2 GLU 45 HB2 GLU 45 15.746 11.220 -1.880 190 HB3 GLU 45 HB3 GLU 45 14.177 10.560 -2.329 191 HG2 GLU 45 HG2 GLU 45 13.654 12.567 -3.624 192 HG3 GLU 45 HG3 GLU 45 15.265 13.225 -3.270 193 H MET 46 H MET 46 14.199 12.655 1.637 194 HA MET 46 HA MET 46 14.508 9.873 2.425 195 HB2 MET 46 HB2 MET 46 15.961 11.512 3.227 196 HB3 MET 46 HB3 MET 46 14.619 12.353 4.062 197 HG2 MET 46 HG2 MET 46 14.296 10.367 5.511 198 HG3 MET 46 HG3 MET 46 15.509 9.478 4.593 199 HE1 MET 46 HE1 MET 46 16.682 8.740 6.805 200 HE2 MET 46 HE2 MET 46 17.168 9.859 8.098 201 HE3 MET 46 HE3 MET 46 15.444 9.612 7.740 202 H PHE 47 H PHE 47 12.345 9.592 1.409 203 HA PHE 47 HA PHE 47 10.267 8.995 3.358 204 HB2 PHE 47 HB2 PHE 47 8.590 10.634 2.323 205 HB3 PHE 47 HB3 PHE 47 9.737 11.194 3.510 206 HD1 PHE 47 HD1 PHE 47 9.595 10.781 -0.235 207 HD2 PHE 47 HD2 PHE 47 10.770 13.272 3.084 208 HE1 PHE 47 HE1 PHE 47 10.201 12.606 -1.795 209 HE2 PHE 47 HE2 PHE 47 11.462 15.048 1.500 210 HZ PHE 47 HZ PHE 47 11.078 14.749 -0.936 211 H THR 48 H THR 48 8.112 8.475 2.221 212 HA THR 48 HA THR 48 8.572 6.248 0.585 213 HB THR 48 HB THR 48 5.767 7.313 0.684 214 HG1 THR 48 HG1 THR 48 5.614 6.982 2.920 215 HG21 THR 48 HG21 THR 48 6.178 4.942 0.148 216 HG22 THR 48 HG22 THR 48 7.069 4.734 1.671 217 HG23 THR 48 HG23 THR 48 5.333 5.084 1.689 218 H VAL 49 H VAL 49 7.437 5.636 -1.384 219 HA VAL 49 HA VAL 49 7.972 6.998 -3.716 220 HB VAL 49 HB VAL 49 5.585 5.168 -3.165 221 HG11 VAL 49 HG11 VAL 49 5.782 4.549 -5.580 222 HG12 VAL 49 HG12 VAL 49 5.225 6.201 -5.326 223 HG13 VAL 49 HG13 VAL 49 6.906 5.905 -5.803 224 HG21 VAL 49 HG21 VAL 49 7.045 3.364 -4.041 225 HG22 VAL 49 HG22 VAL 49 8.407 4.501 -4.074 226 HG23 VAL 49 HG23 VAL 49 7.651 4.045 -2.534 227 H LYS 50 H LYS 50 4.911 7.176 -1.883 228 HA LYS 50 HA LYS 50 3.579 8.904 -3.724 229 HB2 LYS 50 HB2 LYS 50 3.154 8.520 -0.719 230 HB3 LYS 50 HB3 LYS 50 1.993 9.294 -1.795 231 HG2 LYS 50 HG2 LYS 50 1.555 7.267 -2.994 232 HG3 LYS 50 HG3 LYS 50 2.873 6.398 -2.208 233 HD2 LYS 50 HD2 LYS 50 0.456 7.507 -0.723 234 HD3 LYS 50 HD3 LYS 50 0.591 5.849 -1.325 235 HE2 LYS 50 HE2 LYS 50 2.604 5.469 0.073 236 HE3 LYS 50 HE3 LYS 50 2.519 7.118 0.689 237 HZ1 LYS 50 HZ1 LYS 50 0.415 5.043 1.085 238 HZ2 LYS 50 HZ2 LYS 50 1.464 5.549 2.225 239 HZ3 LYS 50 HZ3 LYS 50 0.330 6.572 1.654 240 H GLU 51 H GLU 51 5.793 9.649 -1.132 241 HA GLU 51 HA GLU 51 5.187 12.526 -1.198 242 HB2 GLU 51 HB2 GLU 51 7.385 10.939 0.189 243 HB3 GLU 51 HB3 GLU 51 7.122 12.675 0.367 244 HG2 GLU 51 HG2 GLU 51 5.200 10.449 1.173 245 HG3 GLU 51 HG3 GLU 51 6.211 11.393 2.252 246 H VAL 52 H VAL 52 7.943 10.413 -2.384 247 HA VAL 52 HA VAL 52 9.329 12.604 -3.695 248 HB VAL 52 HB VAL 52 10.207 11.019 -5.271 249 HG11 VAL 52 HG11 VAL 52 11.575 9.715 -3.717 250 HG12 VAL 52 HG12 VAL 52 11.370 11.355 -3.129 251 HG13 VAL 52 HG13 VAL 52 10.418 10.011 -2.410 252 HG21 VAL 52 HG21 VAL 52 8.752 8.870 -3.766 253 HG22 VAL 52 HG22 VAL 52 8.475 9.280 -5.487 254 HG23 VAL 52 HG23 VAL 52 10.012 8.593 -4.976 255 H MET 53 H MET 53 6.804 10.504 -5.009 256 HA MET 53 HA MET 53 6.816 11.847 -7.547 257 HB2 MET 53 HB2 MET 53 5.087 10.481 -8.223 258 HB3 MET 53 HB3 MET 53 6.014 9.504 -7.092 259 HG2 MET 53 HG2 MET 53 4.336 10.126 -5.314 260 HG3 MET 53 HG3 MET 53 3.367 10.916 -6.554 261 HE1 MET 53 HE1 MET 53 2.275 9.718 -8.593 262 HE2 MET 53 HE2 MET 53 3.747 8.849 -9.083 263 HE3 MET 53 HE3 MET 53 2.238 7.955 -8.832 264 H HIS 54 H HIS 54 5.058 12.628 -4.601 265 HA HIS 54 HA HIS 54 3.231 14.596 -5.663 266 HB2 HIS 54 HB2 HIS 54 2.740 13.955 -3.471 267 HB3 HIS 54 HB3 HIS 54 4.412 13.872 -3.000 268 HD2 HIS 54 HD2 HIS 54 5.185 15.619 -1.379 269 HE1 HIS 54 HE1 HIS 54 2.894 18.949 -2.701 270 HE2 HIS 54 HE2 HIS 54 4.630 18.162 -1.016 271 H TYR 55 H TYR 55 6.358 15.176 -3.949 272 HA TYR 55 HA TYR 55 6.830 17.745 -4.802 273 HB2 TYR 55 HB2 TYR 55 8.852 15.547 -4.365 274 HB3 TYR 55 HB3 TYR 55 9.199 17.279 -4.382 275 HD1 TYR 55 HD2 TYR 55 7.562 18.687 -2.724 276 HD2 TYR 55 HD1 TYR 55 8.788 14.601 -2.236 277 HE1 TYR 55 HE2 TYR 55 7.098 18.860 -0.281 278 HE2 TYR 55 HE1 TYR 55 8.288 14.750 0.207 279 HH TYR 55 HH TYR 55 7.572 16.085 1.939 280 H LEU 56 H LEU 56 7.666 14.773 -6.713 281 HA LEU 56 HA LEU 56 8.914 16.272 -8.832 282 HB2 LEU 56 HB2 LEU 56 8.072 13.453 -8.406 283 HB3 LEU 56 HB3 LEU 56 8.046 13.991 -10.076 284 HG LEU 56 HG LEU 56 10.377 14.715 -9.955 285 HD11 LEU 56 HD11 LEU 56 10.606 15.253 -7.550 286 HD12 LEU 56 HD12 LEU 56 10.420 13.533 -7.148 287 HD13 LEU 56 HD13 LEU 56 11.828 14.091 -8.075 288 HD21 LEU 56 HD21 LEU 56 9.965 11.861 -8.971 289 HD22 LEU 56 HD22 LEU 56 9.842 12.414 -10.660 290 HD23 LEU 56 HD23 LEU 56 11.400 12.477 -9.819 291 H GLY 57 H GLY 57 5.453 15.344 -8.405 292 HA2 GLY 57 HA2 GLY 57 4.486 16.274 -10.906 293 HA3 GLY 57 HA3 GLY 57 3.598 16.315 -9.379 294 H GLN 58 H GLN 58 4.945 18.135 -7.839 295 HA GLN 58 HA GLN 58 4.373 20.642 -9.159 296 HB2 GLN 58 HB2 GLN 58 4.877 21.772 -7.132 297 HB3 GLN 58 HB3 GLN 58 3.820 20.387 -6.876 298 HG2 GLN 58 HG2 GLN 58 5.837 19.098 -6.091 299 HG3 GLN 58 HG3 GLN 58 6.773 20.596 -6.173 300 HE21 GLN 58 HE22 GLN 58 7.187 20.557 -3.823 301 HE22 GLN 58 HE21 GLN 58 5.869 20.742 -2.685 302 H TYR 59 H TYR 59 7.491 18.933 -8.634 303 HA TYR 59 HA TYR 59 9.224 20.989 -9.551 304 HB2 TYR 59 HB2 TYR 59 9.922 18.653 -8.790 305 HB3 TYR 59 HB3 TYR 59 9.399 18.044 -10.333 306 HD1 TYR 59 HD2 TYR 59 10.499 18.974 -12.506 307 HD2 TYR 59 HD1 TYR 59 12.155 19.486 -8.550 308 HE1 TYR 59 HE2 TYR 59 12.749 19.373 -13.489 309 HE2 TYR 59 HE1 TYR 59 14.373 19.920 -9.544 310 HH TYR 59 HH TYR 59 15.647 19.953 -11.456 311 H ILE 60 H ILE 60 7.458 18.537 -11.505 312 HA ILE 60 HA ILE 60 8.188 19.521 -14.083 313 HB ILE 60 HB ILE 60 5.702 18.022 -13.171 314 HG12 ILE 60 HG12 ILE 60 8.071 16.752 -14.583 315 HG13 ILE 60 HG13 ILE 60 8.117 16.970 -12.848 316 HG21 ILE 60 HG21 ILE 60 5.587 17.254 -15.582 317 HG22 ILE 60 HG22 ILE 60 5.238 18.961 -15.359 318 HG23 ILE 60 HG23 ILE 60 6.830 18.460 -15.971 319 HD11 ILE 60 HD11 ILE 60 6.026 15.376 -14.375 320 HD12 ILE 60 HD12 ILE 60 7.245 14.778 -13.227 321 HD13 ILE 60 HD13 ILE 60 5.902 15.777 -12.652 322 H MET 61 H MET 61 5.305 20.290 -12.042 323 HA MET 61 HA MET 61 4.196 22.082 -13.977 324 HB2 MET 61 HB2 MET 61 2.935 20.946 -12.227 325 HB3 MET 61 HB3 MET 61 3.712 21.933 -10.982 326 HG2 MET 61 HG2 MET 61 2.661 23.917 -11.715 327 HG3 MET 61 HG3 MET 61 2.268 23.255 -13.300 328 HE1 MET 61 HE1 MET 61 0.132 22.197 -13.983 329 HE2 MET 61 HE2 MET 61 0.731 20.725 -13.186 330 HE3 MET 61 HE3 MET 61 -0.932 21.281 -12.899 331 H VAL 62 H VAL 62 6.576 22.724 -11.389 332 HA VAL 62 HA VAL 62 6.612 25.610 -11.790 333 HB VAL 62 HB VAL 62 8.488 23.702 -10.454 334 HG11 VAL 62 HG11 VAL 62 9.920 25.536 -11.215 335 HG12 VAL 62 HG12 VAL 62 8.746 26.734 -10.619 336 HG13 VAL 62 HG13 VAL 62 9.636 25.696 -9.484 337 HG21 VAL 62 HG21 VAL 62 7.681 24.773 -8.408 338 HG22 VAL 62 HG22 VAL 62 6.719 25.932 -9.356 339 HG23 VAL 62 HG23 VAL 62 6.290 24.214 -9.345 340 H LYS 63 H LYS 63 8.792 22.969 -12.890 341 HA LYS 63 HA LYS 63 10.342 24.664 -14.662 342 HB2 LYS 63 HB2 LYS 63 10.286 21.816 -13.896 343 HB3 LYS 63 HB3 LYS 63 10.470 21.985 -15.621 344 HG2 LYS 63 HG2 LYS 63 12.642 21.895 -14.725 345 HG3 LYS 63 HG3 LYS 63 12.383 23.563 -15.249 346 HD2 LYS 63 HD2 LYS 63 11.830 24.149 -12.841 347 HD3 LYS 63 HD3 LYS 63 12.270 22.503 -12.378 348 HE2 LYS 63 HE2 LYS 63 14.102 24.527 -13.766 349 HE3 LYS 63 HE3 LYS 63 14.081 24.210 -12.031 350 HZ1 LYS 63 HZ1 LYS 63 15.851 22.957 -13.076 351 HZ2 LYS 63 HZ2 LYS 63 14.744 21.881 -12.541 352 HZ3 LYS 63 HZ3 LYS 63 14.855 22.218 -14.131 353 H GLN 64 H GLN 64 7.241 23.261 -15.055 354 HA GLN 64 HA GLN 64 5.768 23.116 -16.711 355 HB2 GLN 64 HB2 GLN 64 5.184 25.208 -17.789 356 HB3 GLN 64 HB3 GLN 64 5.522 25.352 -16.075 357 HG2 GLN 64 HG2 GLN 64 7.899 26.171 -16.803 358 HG3 GLN 64 HG3 GLN 64 7.191 26.356 -18.405 359 HE21 GLN 64 HE22 GLN 64 7.060 27.385 -14.977 360 HE22 GLN 64 HE21 GLN 64 6.207 28.895 -15.295 361 H LEU 65 H LEU 65 7.698 21.558 -17.324 362 HA LEU 65 HA LEU 65 8.613 22.031 -20.081 363 HB2 LEU 65 HB2 LEU 65 9.883 21.209 -17.737 364 HB3 LEU 65 HB3 LEU 65 9.648 19.710 -18.555 365 HG LEU 65 HG LEU 65 11.830 20.513 -19.075 366 HD11 LEU 65 HD11 LEU 65 10.699 19.620 -21.084 367 HD12 LEU 65 HD12 LEU 65 10.202 21.259 -21.539 368 HD13 LEU 65 HD13 LEU 65 11.924 20.830 -21.477 369 HD21 LEU 65 HD21 LEU 65 11.504 22.858 -18.432 370 HD22 LEU 65 HD22 LEU 65 12.319 22.730 -19.996 371 HD23 LEU 65 HD23 LEU 65 10.597 23.163 -19.927 372 H TYR 66 H TYR 66 5.863 20.992 -19.276 373 HA TYR 66 HA TYR 66 5.677 18.390 -20.650 374 HB2 TYR 66 HB2 TYR 66 3.224 18.712 -20.144 375 HB3 TYR 66 HB3 TYR 66 4.287 18.576 -18.757 376 HD1 TYR 66 HD1 TYR 66 2.571 21.119 -20.919 377 HD2 TYR 66 HD2 TYR 66 4.333 20.245 -17.096 378 HE1 TYR 66 HE1 TYR 66 1.774 23.318 -20.068 379 HE2 TYR 66 HE2 TYR 66 3.474 22.422 -16.204 380 HH TYR 66 HH TYR 66 2.318 24.366 -16.674 381 H ASP 67 H ASP 67 3.987 18.158 -22.396 382 HA ASP 67 HA ASP 67 4.637 20.035 -24.524 383 HB2 ASP 67 HB2 ASP 67 4.308 17.557 -24.861 384 HB3 ASP 67 HB3 ASP 67 2.588 17.825 -24.632 385 H GLN 68 H GLN 68 3.255 21.280 -25.748 386 HA GLN 68 HA GLN 68 1.497 22.974 -24.205 387 HB2 GLN 68 HB2 GLN 68 1.614 23.111 -27.215 388 HB3 GLN 68 HB3 GLN 68 1.455 24.393 -26.056 389 HG2 GLN 68 HG2 GLN 68 3.539 24.551 -27.268 390 HG3 GLN 68 HG3 GLN 68 3.856 24.276 -25.552 391 HE21 GLN 68 HE22 GLN 68 3.043 21.819 -28.166 392 HE22 GLN 68 HE21 GLN 68 4.418 20.833 -27.733 393 H GLN 69 H GLN 69 1.036 20.453 -26.677 394 HA GLN 69 HA GLN 69 -1.901 20.841 -26.783 395 HB2 GLN 69 HB2 GLN 69 0.033 19.173 -28.439 396 HB3 GLN 69 HB3 GLN 69 -1.715 19.065 -28.552 397 HG2 GLN 69 HG2 GLN 69 -1.105 20.491 -30.308 398 HG3 GLN 69 HG3 GLN 69 -1.827 21.516 -29.081 399 HE21 GLN 69 HE22 GLN 69 -0.781 23.411 -29.997 400 HE22 GLN 69 HE21 GLN 69 0.953 23.639 -29.851 401 H GLU 70 H GLU 70 0.469 18.736 -25.287 402 HA GLU 70 HA GLU 70 -1.797 17.440 -23.865 403 HB2 GLU 70 HB2 GLU 70 -0.393 15.243 -24.025 404 HB3 GLU 70 HB3 GLU 70 -1.603 15.686 -25.218 405 HG2 GLU 70 HG2 GLU 70 0.143 16.540 -26.753 406 HG3 GLU 70 HG3 GLU 70 1.389 16.098 -25.577 407 H GLN 71 H GLN 71 -1.378 18.676 -22.132 408 HA GLN 71 HA GLN 71 0.987 18.908 -20.637 409 HB2 GLN 71 HB2 GLN 71 -1.947 18.773 -19.802 410 HB3 GLN 71 HB3 GLN 71 -0.641 19.150 -18.691 411 HG2 GLN 71 HG2 GLN 71 -1.614 21.227 -19.371 412 HG3 GLN 71 HG3 GLN 71 0.003 21.113 -20.040 413 HE21 GLN 71 HE22 GLN 71 -0.499 22.736 -21.657 414 HE22 GLN 71 HE21 GLN 71 -1.452 22.283 -23.062 415 H HIS 72 H HIS 72 -0.944 16.060 -21.112 416 HA HIS 72 HA HIS 72 -0.180 14.622 -18.769 417 HB2 HIS 72 HB2 HIS 72 -1.630 13.106 -19.554 418 HB3 HIS 72 HB3 HIS 72 -1.987 14.220 -20.846 419 HD2 HIS 72 HD2 HIS 72 -0.600 10.798 -20.197 420 HE1 HIS 72 HE1 HIS 72 0.566 11.633 -24.211 421 HE2 HIS 72 HE2 HIS 72 0.382 9.812 -22.440 422 H MET 73 H MET 73 1.532 15.350 -21.692 423 HA MET 73 HA MET 73 3.570 13.238 -21.295 424 HB2 MET 73 HB2 MET 73 2.554 13.463 -23.530 425 HB3 MET 73 HB3 MET 73 3.078 15.151 -23.609 426 HG2 MET 73 HG2 MET 73 4.598 13.737 -24.874 427 HG3 MET 73 HG3 MET 73 5.433 14.441 -23.495 428 HE1 MET 73 HE1 MET 73 6.955 12.193 -24.905 429 HE2 MET 73 HE2 MET 73 7.424 12.957 -23.367 430 HE3 MET 73 HE3 MET 73 7.417 11.184 -23.517 431 H VAL 74 H VAL 74 5.616 13.705 -20.643 432 HA VAL 74 HA VAL 74 6.298 16.542 -19.966 433 HB VAL 74 HB VAL 74 6.945 14.045 -18.365 434 HG11 VAL 74 HG11 VAL 74 7.359 17.024 -17.848 435 HG12 VAL 74 HG12 VAL 74 7.569 15.743 -16.635 436 HG13 VAL 74 HG13 VAL 74 8.620 15.784 -18.043 437 HG21 VAL 74 HG21 VAL 74 4.532 14.509 -18.198 438 HG22 VAL 74 HG22 VAL 74 5.341 14.961 -16.703 439 HG23 VAL 74 HG23 VAL 74 4.864 16.223 -17.864 440 H TYR 75 H TYR 75 8.234 17.259 -20.621 441 HA TYR 75 HA TYR 75 10.342 15.373 -21.605 442 HB2 TYR 75 HB2 TYR 75 9.576 18.170 -22.508 443 HB3 TYR 75 HB3 TYR 75 11.082 17.372 -22.946 444 HD1 TYR 75 HD1 TYR 75 10.991 15.072 -24.008 445 HD2 TYR 75 HD2 TYR 75 7.564 17.680 -23.756 446 HE1 TYR 75 HE1 TYR 75 9.823 13.686 -25.678 447 HE2 TYR 75 HE2 TYR 75 6.421 16.344 -25.519 448 HH TYR 75 HH TYR 75 6.561 14.542 -26.960 449 H CYS 76 H CYS 76 12.517 16.096 -21.212 450 HA CYS 76 HA CYS 76 12.931 17.958 -18.872 451 HB2 CYS 76 HB2 CYS 76 14.087 15.260 -19.575 452 HB3 CYS 76 HB3 CYS 76 14.756 16.284 -18.280 453 HG CYS 76 HG CYS 76 13.355 14.337 -17.183 454 H GLY 77 H GLY 77 14.137 16.948 -22.057 455 HA2 GLY 77 HA2 GLY 77 15.874 17.683 -23.355 456 HA3 GLY 77 HA3 GLY 77 15.525 19.240 -22.614 457 H GLY 78 H GLY 78 16.918 16.422 -20.931 458 HA2 GLY 78 HA2 GLY 78 19.063 15.990 -20.177 459 HA3 GLY 78 HA3 GLY 78 19.652 17.459 -20.944 460 H ASP 79 H ASP 79 16.939 18.049 -18.791 461 HA ASP 79 HA ASP 79 18.586 19.447 -16.894 462 HB2 ASP 79 HB2 ASP 79 16.167 19.891 -17.654 463 HB3 ASP 79 HB3 ASP 79 15.693 18.632 -16.514 464 H LEU 80 H LEU 80 18.342 19.079 -14.533 465 HA LEU 80 HA LEU 80 19.619 16.666 -13.794 466 HB2 LEU 80 HB2 LEU 80 18.350 18.944 -12.268 467 HB3 LEU 80 HB3 LEU 80 18.921 17.521 -11.428 468 HG LEU 80 HG LEU 80 20.547 19.312 -11.359 469 HD11 LEU 80 HD11 LEU 80 21.282 16.942 -11.229 470 HD12 LEU 80 HD12 LEU 80 21.621 16.967 -12.975 471 HD13 LEU 80 HD13 LEU 80 22.519 18.028 -11.879 472 HD21 LEU 80 HD21 LEU 80 20.957 18.934 -14.348 473 HD22 LEU 80 HD22 LEU 80 20.146 20.326 -13.590 474 HD23 LEU 80 HD23 LEU 80 21.857 20.007 -13.260 475 H LEU 81 H LEU 81 16.189 17.369 -13.941 476 HA LEU 81 HA LEU 81 15.326 15.030 -12.440 477 HB2 LEU 81 HB2 LEU 81 13.846 16.956 -12.814 478 HB3 LEU 81 HB3 LEU 81 13.885 16.682 -14.557 479 HG LEU 81 HG LEU 81 12.784 14.432 -14.174 480 HD11 LEU 81 HD11 LEU 81 12.463 15.470 -11.320 481 HD12 LEU 81 HD12 LEU 81 11.681 14.026 -12.008 482 HD13 LEU 81 HD13 LEU 81 13.432 14.063 -11.807 483 HD21 LEU 81 HD21 LEU 81 10.562 15.309 -13.737 484 HD22 LEU 81 HD22 LEU 81 11.246 16.788 -13.045 485 HD23 LEU 81 HD23 LEU 81 11.459 16.431 -14.775 486 H GLY 82 H GLY 82 16.029 15.606 -15.905 487 HA2 GLY 82 HA2 GLY 82 15.350 12.933 -16.848 488 HA3 GLY 82 HA3 GLY 82 16.408 14.104 -17.649 489 H GLU 83 H GLU 83 18.399 14.447 -15.565 490 HA GLU 83 HA GLU 83 20.033 12.120 -15.870 491 HB2 GLU 83 HB2 GLU 83 20.997 14.269 -15.678 492 HB3 GLU 83 HB3 GLU 83 20.018 14.668 -14.281 493 HG2 GLU 83 HG2 GLU 83 22.253 14.396 -13.608 494 HG3 GLU 83 HG3 GLU 83 21.199 13.199 -12.865 495 H LEU 84 H LEU 84 17.894 13.224 -13.196 496 HA LEU 84 HA LEU 84 18.579 11.187 -11.348 497 HB2 LEU 84 HB2 LEU 84 17.459 13.302 -10.768 498 HB3 LEU 84 HB3 LEU 84 16.034 12.822 -11.682 499 HG LEU 84 HG LEU 84 15.636 10.951 -10.096 500 HD11 LEU 84 HD11 LEU 84 16.831 10.955 -7.921 501 HD12 LEU 84 HD12 LEU 84 17.923 10.566 -9.254 502 HD13 LEU 84 HD13 LEU 84 17.939 12.197 -8.540 503 HD21 LEU 84 HD21 LEU 84 15.912 13.694 -8.797 504 HD22 LEU 84 HD22 LEU 84 14.539 13.133 -9.779 505 HD23 LEU 84 HD23 LEU 84 14.886 12.360 -8.228 506 H LEU 85 H LEU 85 15.946 11.310 -13.771 507 HA LEU 85 HA LEU 85 14.995 8.595 -13.146 508 HB2 LEU 85 HB2 LEU 85 14.244 10.795 -15.085 509 HB3 LEU 85 HB3 LEU 85 13.684 9.161 -15.383 510 HG LEU 85 HG LEU 85 12.505 9.049 -13.282 511 HD11 LEU 85 HD11 LEU 85 13.444 11.893 -12.758 512 HD12 LEU 85 HD12 LEU 85 12.204 11.025 -11.827 513 HD13 LEU 85 HD13 LEU 85 13.874 10.456 -11.807 514 HD21 LEU 85 HD21 LEU 85 11.408 10.090 -15.278 515 HD22 LEU 85 HD22 LEU 85 10.771 10.710 -13.748 516 HD23 LEU 85 HD23 LEU 85 11.918 11.682 -14.695 517 H GLY 86 H GLY 86 17.412 9.893 -15.277 518 HA2 GLY 86 HA2 GLY 86 19.022 8.746 -16.508 519 HA3 GLY 86 HA3 GLY 86 18.117 7.236 -16.348 520 H ARG 87 H ARG 87 15.704 9.067 -17.206 521 HA ARG 87 HA ARG 87 16.132 9.243 -20.159 522 HB2 ARG 87 HB2 ARG 87 13.537 8.353 -18.780 523 HB3 ARG 87 HB3 ARG 87 13.840 8.485 -20.504 524 HG2 ARG 87 HG2 ARG 87 13.829 6.220 -20.056 525 HG3 ARG 87 HG3 ARG 87 15.546 6.619 -20.263 526 HD2 ARG 87 HD2 ARG 87 15.981 6.383 -17.932 527 HD3 ARG 87 HD3 ARG 87 14.268 6.534 -17.514 528 HE ARG 87 HE ARG 87 14.699 4.188 -19.104 529 HH11 ARG 87 HH11 ARG 87 15.334 5.367 -15.804 530 HH12 ARG 87 HH12 ARG 87 15.295 3.702 -15.200 531 HH21 ARG 87 HH21 ARG 87 14.737 2.141 -18.108 532 HH22 ARG 87 HH22 ARG 87 15.011 2.077 -16.365 533 H GLN 88 H GLN 88 15.398 10.976 -21.102 534 HA GLN 88 HA GLN 88 14.522 13.127 -19.289 535 HB2 GLN 88 HB2 GLN 88 15.757 14.591 -20.605 536 HB3 GLN 88 HB3 GLN 88 16.675 13.101 -20.690 537 HG2 GLN 88 HG2 GLN 88 15.309 12.616 -22.840 538 HG3 GLN 88 HG3 GLN 88 14.842 14.348 -22.729 539 HE21 GLN 88 HE22 GLN 88 16.197 13.394 -25.020 540 HE22 GLN 88 HE21 GLN 88 17.831 14.041 -24.991 541 H SER 89 H SER 89 12.675 11.030 -20.709 542 HA SER 89 HA SER 89 10.521 12.975 -20.813 543 HB2 SER 89 HB2 SER 89 9.591 12.324 -22.956 544 HB3 SER 89 HB3 SER 89 11.203 13.017 -23.153 545 HG SER 89 HG SER 89 10.962 11.112 -24.421 546 H PHE 90 H PHE 90 8.503 12.153 -20.414 547 HA PHE 90 HA PHE 90 7.833 9.346 -20.234 548 HB2 PHE 90 HB2 PHE 90 7.529 9.272 -17.783 549 HB3 PHE 90 HB3 PHE 90 9.208 9.425 -18.222 550 HD1 PHE 90 HD2 PHE 90 10.473 11.513 -17.783 551 HD2 PHE 90 HD1 PHE 90 6.357 11.056 -16.567 552 HE1 PHE 90 HE2 PHE 90 10.704 13.459 -16.261 553 HE2 PHE 90 HE1 PHE 90 6.600 12.994 -15.040 554 HZ PHE 90 HZ PHE 90 8.781 14.190 -14.879 555 H SER 91 H SER 91 5.559 9.206 -19.002 556 HA SER 91 HA SER 91 4.057 11.762 -19.170 557 HB2 SER 91 HB2 SER 91 2.401 10.970 -20.606 558 HB3 SER 91 HB3 SER 91 3.893 10.409 -21.367 559 HG SER 91 HG SER 91 2.666 8.615 -21.321 560 H VAL 92 H VAL 92 1.797 11.503 -18.250 561 HA VAL 92 HA VAL 92 1.890 9.973 -15.768 562 HB VAL 92 HB VAL 92 -0.331 10.800 -15.296 563 HG11 VAL 92 HG11 VAL 92 1.691 12.214 -14.894 564 HG12 VAL 92 HG12 VAL 92 1.414 13.017 -16.454 565 HG13 VAL 92 HG13 VAL 92 0.212 13.148 -15.161 566 HG21 VAL 92 HG21 VAL 92 -0.254 12.058 -18.065 567 HG22 VAL 92 HG22 VAL 92 -1.340 10.744 -17.553 568 HG23 VAL 92 HG23 VAL 92 -1.484 12.347 -16.821 569 H LYS 93 H LYS 93 1.218 8.949 -18.894 570 HA LYS 93 HA LYS 93 -0.369 6.575 -17.981 571 HB2 LYS 93 HB2 LYS 93 0.388 7.568 -20.760 572 HB3 LYS 93 HB3 LYS 93 -0.440 6.051 -20.445 573 HG2 LYS 93 HG2 LYS 93 -1.554 8.793 -19.711 574 HG3 LYS 93 HG3 LYS 93 -1.937 7.887 -21.176 575 HD2 LYS 93 HD2 LYS 93 -2.838 6.017 -19.730 576 HD3 LYS 93 HD3 LYS 93 -2.520 7.019 -18.311 577 HE2 LYS 93 HE2 LYS 93 -4.819 7.281 -18.778 578 HE3 LYS 93 HE3 LYS 93 -4.036 8.789 -19.248 579 HZ1 LYS 93 HZ1 LYS 93 -5.642 8.011 -20.921 580 HZ2 LYS 93 HZ2 LYS 93 -4.154 8.036 -21.580 581 HZ3 LYS 93 HZ3 LYS 93 -4.831 6.615 -21.130 582 H ASP 94 H ASP 94 2.828 7.565 -18.930 583 HA ASP 94 HA ASP 94 3.856 4.812 -18.409 584 HB2 ASP 94 HB2 ASP 94 3.815 5.334 -20.821 585 HB3 ASP 94 HB3 ASP 94 4.781 6.781 -20.532 586 HA PRO 95 HA PRO 95 6.002 7.963 -15.690 587 HB2 PRO 95 HB2 PRO 95 5.124 7.300 -13.226 588 HB3 PRO 95 HB3 PRO 95 4.073 8.180 -14.377 589 HG2 PRO 95 HG2 PRO 95 4.173 5.168 -13.907 590 HG3 PRO 95 HG3 PRO 95 2.732 6.230 -13.808 591 HD2 PRO 95 HD2 PRO 95 3.347 4.869 -16.084 592 HD3 PRO 95 HD3 PRO 95 2.681 6.531 -16.136 593 H SER 96 H SER 96 6.222 4.675 -16.214 594 HA SER 96 HA SER 96 7.497 3.410 -14.230 595 HB2 SER 96 HB2 SER 96 8.207 3.163 -17.169 596 HB3 SER 96 HB3 SER 96 8.522 1.955 -15.907 597 HG SER 96 HG SER 96 6.544 1.576 -17.083 598 HA PRO 97 HA PRO 97 11.979 5.020 -15.421 599 HB2 PRO 97 HB2 PRO 97 11.030 7.881 -15.779 600 HB3 PRO 97 HB3 PRO 97 12.553 7.138 -16.353 601 HG2 PRO 97 HG2 PRO 97 10.514 7.360 -18.078 602 HG3 PRO 97 HG3 PRO 97 11.321 5.760 -17.944 603 HD2 PRO 97 HD2 PRO 97 8.765 6.703 -16.616 604 HD3 PRO 97 HD3 PRO 97 9.066 5.173 -17.491 605 H LEU 98 H LEU 98 9.524 6.853 -13.572 606 HA LEU 98 HA LEU 98 11.314 7.747 -11.450 607 HB2 LEU 98 HB2 LEU 98 9.184 8.802 -12.184 608 HB3 LEU 98 HB3 LEU 98 8.271 7.430 -11.584 609 HG LEU 98 HG LEU 98 9.974 9.232 -9.815 610 HD11 LEU 98 HD11 LEU 98 6.981 9.346 -10.381 611 HD12 LEU 98 HD12 LEU 98 7.866 10.346 -9.204 612 HD13 LEU 98 HD13 LEU 98 8.191 10.523 -10.933 613 HD21 LEU 98 HD21 LEU 98 8.466 8.386 -8.001 614 HD22 LEU 98 HD22 LEU 98 7.717 7.271 -9.164 615 HD23 LEU 98 HD23 LEU 98 9.423 7.092 -8.709 616 H TYR 99 H TYR 99 8.910 5.110 -11.742 617 HA TYR 99 HA TYR 99 9.485 3.902 -9.229 618 HB2 TYR 99 HB2 TYR 99 8.312 2.705 -11.776 619 HB3 TYR 99 HB3 TYR 99 8.334 1.904 -10.213 620 HD1 TYR 99 HD1 TYR 99 7.006 2.781 -8.291 621 HD2 TYR 99 HD2 TYR 99 6.660 4.445 -12.262 622 HE1 TYR 99 HE1 TYR 99 4.853 3.849 -7.660 623 HE2 TYR 99 HE2 TYR 99 4.513 5.521 -11.615 624 HH TYR 99 HH TYR 99 3.097 5.171 -8.342 625 H ASP 100 H ASP 100 10.898 3.318 -12.471 626 HA ASP 100 HA ASP 100 12.625 1.190 -11.704 627 HB2 ASP 100 HB2 ASP 100 12.004 1.962 -14.020 628 HB3 ASP 100 HB3 ASP 100 13.091 3.326 -13.817 629 H MET 101 H MET 101 12.976 4.696 -11.451 630 HA MET 101 HA MET 101 15.710 4.793 -10.563 631 HB2 MET 101 HB2 MET 101 15.193 6.916 -11.007 632 HB3 MET 101 HB3 MET 101 13.470 6.614 -10.912 633 HG2 MET 101 HG2 MET 101 13.646 6.789 -8.402 634 HG3 MET 101 HG3 MET 101 15.282 7.414 -8.638 635 HE1 MET 101 HE1 MET 101 11.595 8.000 -8.348 636 HE2 MET 101 HE2 MET 101 12.654 8.715 -7.110 637 HE3 MET 101 HE3 MET 101 11.645 9.769 -8.122 638 H LEU 102 H LEU 102 12.612 4.516 -8.715 639 HA LEU 102 HA LEU 102 14.217 4.253 -6.244 640 HB2 LEU 102 HB2 LEU 102 12.154 4.441 -5.022 641 HB3 LEU 102 HB3 LEU 102 12.519 5.786 -6.105 642 HG LEU 102 HG LEU 102 10.818 4.726 -7.728 643 HD11 LEU 102 HD11 LEU 102 8.984 3.459 -6.546 644 HD12 LEU 102 HD12 LEU 102 10.454 2.527 -6.794 645 HD13 LEU 102 HD13 LEU 102 10.108 3.211 -5.191 646 HD21 LEU 102 HD21 LEU 102 9.944 5.859 -5.050 647 HD22 LEU 102 HD22 LEU 102 10.451 6.781 -6.479 648 HD23 LEU 102 HD23 LEU 102 8.971 5.826 -6.551 649 H ARG 103 H ARG 103 12.536 1.929 -8.244 650 HA ARG 103 HA ARG 103 12.200 -0.032 -6.244 651 HB2 ARG 103 HB2 ARG 103 11.994 -1.663 -8.040 652 HB3 ARG 103 HB3 ARG 103 11.220 -0.155 -8.492 653 HG2 ARG 103 HG2 ARG 103 12.216 -0.737 -10.452 654 HG3 ARG 103 HG3 ARG 103 13.373 0.398 -9.780 655 HD2 ARG 103 HD2 ARG 103 14.543 -1.428 -10.834 656 HD3 ARG 103 HD3 ARG 103 14.850 -1.497 -9.122 657 HE ARG 103 HE ARG 103 13.628 -3.485 -8.930 658 HH11 ARG 103 HH11 ARG 103 13.296 -2.320 -12.232 659 HH12 ARG 103 HH12 ARG 103 12.595 -3.820 -12.774 660 HH21 ARG 103 HH21 ARG 103 12.732 -5.355 -9.698 661 HH22 ARG 103 HH22 ARG 103 12.295 -5.492 -11.375 662 H LYS 104 H LYS 104 14.987 0.930 -7.904 663 HA LYS 104 HA LYS 104 16.957 -1.022 -7.163 664 HB2 LYS 104 HB2 LYS 104 17.122 0.687 -8.935 665 HB3 LYS 104 HB3 LYS 104 17.095 1.968 -7.716 666 HG2 LYS 104 HG2 LYS 104 19.287 1.318 -6.893 667 HG3 LYS 104 HG3 LYS 104 19.271 -0.155 -7.876 668 HD2 LYS 104 HD2 LYS 104 20.678 1.614 -8.911 669 HD3 LYS 104 HD3 LYS 104 19.342 1.109 -9.934 670 HE2 LYS 104 HE2 LYS 104 19.429 3.452 -10.164 671 HE3 LYS 104 HE3 LYS 104 18.025 3.133 -9.149 672 HZ1 LYS 104 HZ1 LYS 104 20.711 4.000 -8.163 673 HZ2 LYS 104 HZ2 LYS 104 19.398 4.959 -8.269 674 HZ3 LYS 104 HZ3 LYS 104 19.419 3.730 -7.195 675 H ASN 105 H ASN 105 15.517 1.681 -5.372 676 HA ASN 105 HA ASN 105 17.296 1.248 -3.031 677 HB2 ASN 105 HB2 ASN 105 16.680 3.509 -3.558 678 HB3 ASN 105 HB3 ASN 105 14.966 3.114 -3.450 679 HD21 ASN 105 HD22 ASN 105 17.955 3.537 -1.538 680 HD22 ASN 105 HD21 ASN 105 17.115 3.567 0.005 681 H LEU 106 H LEU 106 13.692 1.221 -3.378 682 HA LEU 106 HA LEU 106 13.606 -0.907 -1.287 683 HB2 LEU 106 HB2 LEU 106 11.555 -0.059 -0.514 684 HB3 LEU 106 HB3 LEU 106 12.741 1.223 -0.477 685 HG LEU 106 HG LEU 106 10.758 1.027 -2.784 686 HD11 LEU 106 HD11 LEU 106 9.450 0.934 -0.692 687 HD12 LEU 106 HD12 LEU 106 10.256 2.412 -0.134 688 HD13 LEU 106 HD13 LEU 106 9.213 2.451 -1.571 689 HD21 LEU 106 HD21 LEU 106 12.538 2.710 -3.045 690 HD22 LEU 106 HD22 LEU 106 10.987 3.501 -2.779 691 HD23 LEU 106 HD23 LEU 106 12.164 3.383 -1.451 692 H VAL 107 H VAL 107 12.309 -2.677 -1.452 693 HA VAL 107 HA VAL 107 11.247 -3.411 -4.099 694 HB VAL 107 HB VAL 107 11.043 -4.863 -1.430 695 HG11 VAL 107 HG11 VAL 107 10.461 -6.830 -2.832 696 HG12 VAL 107 HG12 VAL 107 9.244 -5.562 -2.976 697 HG13 VAL 107 HG13 VAL 107 10.435 -5.797 -4.277 698 HG21 VAL 107 HG21 VAL 107 12.897 -5.297 -3.818 699 HG22 VAL 107 HG22 VAL 107 13.382 -4.713 -2.212 700 HG23 VAL 107 HG23 VAL 107 12.771 -6.358 -2.398 701 H THR 108 H THR 108 9.391 -2.547 -4.791 702 HA THR 108 HA THR 108 7.050 -2.238 -3.026 703 HB THR 108 HB THR 108 8.486 -0.253 -2.620 704 HG1 THR 108 HG1 THR 108 6.770 1.102 -2.615 705 HG21 THR 108 HG21 THR 108 8.642 1.539 -4.228 706 HG22 THR 108 HG22 THR 108 9.375 0.094 -4.934 707 HG23 THR 108 HG23 THR 108 7.751 0.608 -5.446 708 H LEU 109 H LEU 109 5.378 -0.874 -4.294 709 HA LEU 109 HA LEU 109 4.751 -2.451 -6.738 710 HB2 LEU 109 HB2 LEU 109 3.019 -0.577 -5.083 711 HB3 LEU 109 HB3 LEU 109 2.464 -1.567 -6.429 712 HG LEU 109 HG LEU 109 3.533 -2.619 -3.769 713 HD11 LEU 109 HD11 LEU 109 0.725 -2.615 -4.948 714 HD12 LEU 109 HD12 LEU 109 1.217 -3.330 -3.396 715 HD13 LEU 109 HD13 LEU 109 1.303 -1.576 -3.625 716 HD21 LEU 109 HD21 LEU 109 2.385 -4.122 -6.165 717 HD22 LEU 109 HD22 LEU 109 4.051 -4.232 -5.547 718 HD23 LEU 109 HD23 LEU 109 2.711 -4.828 -4.566 719 H ALA 110 H ALA 110 3.834 -1.463 -8.613 720 HA ALA 110 HA ALA 110 4.339 1.391 -9.139 721 HB1 ALA 110 HB1 ALA 110 6.482 0.258 -9.707 722 HB2 ALA 110 HB2 ALA 110 5.588 -0.825 -10.810 723 HB3 ALA 110 HB3 ALA 110 5.657 0.918 -11.139 724 H THR 111 H THR 111 3.664 1.901 -11.490 725 HA THR 111 HA THR 111 1.468 0.251 -12.547 726 HB THR 111 HB THR 111 0.601 1.436 -10.564 727 HG1 THR 111 HG1 THR 111 -1.306 1.995 -11.644 728 HG21 THR 111 HG21 THR 111 0.783 3.985 -12.237 729 HG22 THR 111 HG22 THR 111 0.018 3.797 -10.647 730 HG23 THR 111 HG23 THR 111 1.770 3.623 -10.804 731 HD1 49H 200 HD1 49H 200 1.752 14.399 -13.174 732 HD2 49H 200 HD2 49H 200 2.193 12.713 -9.231 733 HD3 49H 200 HD3 49H 200 0.571 11.497 -12.820 734 HD4 49H 200 HD4 49H 200 -1.115 11.253 -8.869 735 HD5 49H 200 HD5 49H 200 -2.771 13.665 -14.273 736 HE1 49H 200 HE1 49H 200 4.017 13.615 -13.756 737 HE2 49H 200 HE2 49H 200 4.453 11.916 -9.840 738 HE4 49H 200 HE4 49H 200 -0.561 8.846 -8.781 739 HE5 49H 200 HE5 49H 200 -3.348 14.490 -16.483 740 HE6 49H 200 HE6 49H 200 -0.398 17.562 -16.162 741 HZ2 49H 200 HZ2 49H 200 0.580 7.760 -10.705 742 HM11 49H 200 HM11 49H 200 -4.272 16.387 -17.900 743 HM12 49H 200 HM12 49H 200 -3.392 16.779 -19.403 744 HM13 49H 200 HM13 49H 200 -3.274 15.140 -18.711 745 HM21 49H 200 HM21 49H 200 2.883 15.801 -14.822 746 HM22 49H 200 HM22 49H 200 1.755 16.170 -16.134 747 HM23 49H 200 HM23 49H 200 3.177 17.179 -15.893 748 HM31 49H 200 HM31 49H 200 2.967 17.232 -12.751 749 HM32 49H 200 HM32 49H 200 3.312 18.685 -13.708 750 HM33 49H 200 HM33 49H 200 1.937 18.661 -12.596 751 HN1 49H 200 HN1 49H 200 -4.139 19.667 -10.384 752 H21 49H 200 H21 49H 200 -3.604 17.166 -9.682 753 H22 49H 200 H22 49H 200 -4.550 17.458 -11.154 754 H31 49H 200 H31 49H 200 -2.657 15.866 -11.385 755 H32 49H 200 H32 49H 200 -2.611 17.200 -12.559 756 H41 49H 200 H41 49H 200 -0.282 19.217 -11.431 757 H42 49H 200 H42 49H 200 -0.396 18.747 -9.725 758 H7 49H 200 H7 49H 200 -1.471 13.200 -10.145 759 H8 49H 200 H8 49H 200 0.419 14.354 -9.691 760 H9 49H 200 H9 49H 200 1.200 18.387 -14.977 Start of MODEL 3 1 H1 GLN 23 H GLN 23 12.245 4.703 12.717 2 HA GLN 23 HA GLN 23 13.556 5.884 10.433 3 HB2 GLN 23 HB2 GLN 23 14.645 3.217 11.449 4 HB3 GLN 23 HB3 GLN 23 14.927 3.877 9.843 5 HG2 GLN 23 HG2 GLN 23 16.864 4.425 11.050 6 HG3 GLN 23 HG3 GLN 23 15.960 5.924 10.905 7 HE21 GLN 23 HE22 GLN 23 16.252 7.105 12.814 8 HE22 GLN 23 HE21 GLN 23 16.263 6.387 14.419 9 H ILE 24 H ILE 24 13.006 4.855 8.408 10 HA ILE 24 HA ILE 24 10.675 3.006 8.455 11 HB ILE 24 HB ILE 24 9.722 4.499 6.675 12 HG12 ILE 24 HG12 ILE 24 11.628 6.600 7.810 13 HG13 ILE 24 HG13 ILE 24 11.656 5.929 6.180 14 HG21 ILE 24 HG21 ILE 24 8.472 5.843 8.211 15 HG22 ILE 24 HG22 ILE 24 8.809 4.281 8.960 16 HG23 ILE 24 HG23 ILE 24 9.749 5.714 9.449 17 HD11 ILE 24 HD11 ILE 24 10.634 8.073 6.010 18 HD12 ILE 24 HD12 ILE 24 9.289 6.921 5.896 19 HD13 ILE 24 HD13 ILE 24 9.593 7.786 7.413 20 H ASN 25 H ASN 25 10.024 2.285 6.337 21 HA ASN 25 HA ASN 25 12.293 1.054 5.099 22 HB2 ASN 25 HB2 ASN 25 9.343 0.716 4.448 23 HB3 ASN 25 HB3 ASN 25 10.646 -0.433 4.122 24 HD21 ASN 25 HD22 ASN 25 11.950 -0.979 6.360 25 HD22 ASN 25 HD21 ASN 25 10.878 -1.297 7.714 26 H GLN 26 H GLN 26 12.427 3.662 4.443 27 HA GLN 26 HA GLN 26 11.600 4.007 1.571 28 HB2 GLN 26 HB2 GLN 26 11.724 6.254 3.603 29 HB3 GLN 26 HB3 GLN 26 10.930 6.210 2.031 30 HG2 GLN 26 HG2 GLN 26 10.071 4.852 4.583 31 HG3 GLN 26 HG3 GLN 26 9.220 6.137 3.757 32 HE21 GLN 26 HE22 GLN 26 8.124 3.498 4.536 33 HE22 GLN 26 HE21 GLN 26 7.783 2.639 3.045 34 H VAL 27 H VAL 27 12.602 6.196 0.845 35 HA VAL 27 HA VAL 27 15.481 5.588 0.541 36 HB VAL 27 HB VAL 27 13.814 7.520 -1.082 37 HG11 VAL 27 HG11 VAL 27 16.419 6.110 -1.680 38 HG12 VAL 27 HG12 VAL 27 15.403 6.823 -2.945 39 HG13 VAL 27 HG13 VAL 27 16.058 7.855 -1.704 40 HG21 VAL 27 HG21 VAL 27 14.134 4.524 -1.530 41 HG22 VAL 27 HG22 VAL 27 12.612 5.407 -1.274 42 HG23 VAL 27 HG23 VAL 27 13.511 5.650 -2.759 43 H ARG 28 H ARG 28 16.750 7.602 0.057 44 HA ARG 28 HA ARG 28 16.193 10.166 1.128 45 HB2 ARG 28 HB2 ARG 28 16.746 9.167 3.322 46 HB3 ARG 28 HB3 ARG 28 18.289 8.567 2.699 47 HG2 ARG 28 HG2 ARG 28 19.101 10.862 2.369 48 HG3 ARG 28 HG3 ARG 28 17.507 11.514 2.759 49 HD2 ARG 28 HD2 ARG 28 18.976 11.879 4.603 50 HD3 ARG 28 HD3 ARG 28 17.711 10.747 5.067 51 HE ARG 28 HE ARG 28 19.271 9.028 5.302 52 HH11 ARG 28 HH11 ARG 28 20.966 11.765 3.888 53 HH12 ARG 28 HH12 ARG 28 22.527 11.052 4.181 54 HH21 ARG 28 HH21 ARG 28 21.291 8.188 5.625 55 HH22 ARG 28 HH22 ARG 28 22.700 9.081 5.136 56 HA PRO 29 HA PRO 29 19.355 10.299 -2.099 57 HB2 PRO 29 HB2 PRO 29 19.064 12.831 -2.942 58 HB3 PRO 29 HB3 PRO 29 17.681 11.697 -2.940 59 HG2 PRO 29 HG2 PRO 29 18.326 13.843 -0.903 60 HG3 PRO 29 HG3 PRO 29 16.771 13.459 -1.650 61 HD2 PRO 29 HD2 PRO 29 17.751 12.543 0.830 62 HD3 PRO 29 HD3 PRO 29 16.407 11.795 -0.074 63 H LYS 30 H LYS 30 21.253 11.404 -2.900 64 HA LYS 30 HA LYS 30 23.064 12.534 -0.832 65 HB2 LYS 30 HB2 LYS 30 24.835 12.252 -2.448 66 HB3 LYS 30 HB3 LYS 30 23.941 10.749 -2.239 67 HG2 LYS 30 HG2 LYS 30 22.684 11.216 -4.351 68 HG3 LYS 30 HG3 LYS 30 23.641 12.677 -4.588 69 HD2 LYS 30 HD2 LYS 30 24.730 9.830 -4.461 70 HD3 LYS 30 HD3 LYS 30 24.429 10.751 -5.940 71 HE2 LYS 30 HE2 LYS 30 26.100 12.460 -5.216 72 HE3 LYS 30 HE3 LYS 30 26.426 11.516 -3.756 73 HZ1 LYS 30 HZ1 LYS 30 28.051 11.030 -5.494 74 HZ2 LYS 30 HZ2 LYS 30 27.184 9.685 -5.185 75 HZ3 LYS 30 HZ3 LYS 30 26.890 10.556 -6.536 76 H LEU 31 H LEU 31 24.339 14.485 -1.422 77 HA LEU 31 HA LEU 31 22.663 16.652 -1.382 78 HB2 LEU 31 HB2 LEU 31 25.575 16.627 -2.255 79 HB3 LEU 31 HB3 LEU 31 24.681 18.064 -1.772 80 HG LEU 31 HG LEU 31 25.301 15.675 0.019 81 HD11 LEU 31 HD11 LEU 31 27.263 17.069 -0.533 82 HD12 LEU 31 HD12 LEU 31 26.391 18.520 0.011 83 HD13 LEU 31 HD13 LEU 31 26.804 17.235 1.169 84 HD21 LEU 31 HD21 LEU 31 24.498 17.148 1.865 85 HD22 LEU 31 HD22 LEU 31 23.921 18.320 0.661 86 HD23 LEU 31 HD23 LEU 31 23.202 16.694 0.761 87 HA PRO 32 HA PRO 32 23.058 17.977 -5.940 88 HB2 PRO 32 HB2 PRO 32 23.683 16.140 -7.896 89 HB3 PRO 32 HB3 PRO 32 24.876 17.174 -7.057 90 HG2 PRO 32 HG2 PRO 32 24.127 14.310 -6.403 91 HG3 PRO 32 HG3 PRO 32 25.767 15.008 -6.606 92 HD2 PRO 32 HD2 PRO 32 24.726 14.701 -4.152 93 HD3 PRO 32 HD3 PRO 32 25.618 16.191 -4.557 94 H LEU 33 H LEU 33 21.842 14.728 -5.182 95 HA LEU 33 HA LEU 33 19.540 14.975 -7.016 96 HB2 LEU 33 HB2 LEU 33 20.469 12.909 -5.000 97 HB3 LEU 33 HB3 LEU 33 18.817 12.902 -5.606 98 HG LEU 33 HG LEU 33 19.607 12.721 -7.926 99 HD11 LEU 33 HD11 LEU 33 22.390 12.450 -6.725 100 HD12 LEU 33 HD12 LEU 33 21.946 12.034 -8.393 101 HD13 LEU 33 HD13 LEU 33 21.830 13.708 -7.858 102 HD21 LEU 33 HD21 LEU 33 19.060 10.712 -6.591 103 HD22 LEU 33 HD22 LEU 33 20.329 10.379 -7.778 104 HD23 LEU 33 HD23 LEU 33 20.754 10.596 -6.065 105 H LEU 34 H LEU 34 20.153 15.347 -3.535 106 HA LEU 34 HA LEU 34 17.504 16.099 -2.714 107 HB2 LEU 34 HB2 LEU 34 19.575 15.491 -1.319 108 HB3 LEU 34 HB3 LEU 34 20.234 17.050 -1.670 109 HG LEU 34 HG LEU 34 17.495 16.973 -0.351 110 HD11 LEU 34 HD11 LEU 34 18.574 16.812 1.863 111 HD12 LEU 34 HD12 LEU 34 18.823 15.326 0.939 112 HD13 LEU 34 HD13 LEU 34 20.146 16.503 1.091 113 HD21 LEU 34 HD21 LEU 34 18.494 19.158 -0.936 114 HD22 LEU 34 HD22 LEU 34 18.459 18.949 0.815 115 HD23 LEU 34 HD23 LEU 34 19.981 18.735 -0.060 116 H LYS 35 H LYS 35 20.111 18.007 -4.265 117 HA LYS 35 HA LYS 35 19.019 20.580 -3.946 118 HB2 LYS 35 HB2 LYS 35 21.275 19.507 -5.148 119 HB3 LYS 35 HB3 LYS 35 20.351 19.954 -6.569 120 HG2 LYS 35 HG2 LYS 35 21.638 21.872 -6.099 121 HG3 LYS 35 HG3 LYS 35 20.043 22.261 -5.455 122 HD2 LYS 35 HD2 LYS 35 21.523 22.934 -3.746 123 HD3 LYS 35 HD3 LYS 35 20.948 21.351 -3.176 124 HE2 LYS 35 HE2 LYS 35 22.997 20.269 -3.976 125 HE3 LYS 35 HE3 LYS 35 23.549 21.782 -4.710 126 HZ1 LYS 35 HZ1 LYS 35 23.155 21.369 -1.785 127 HZ2 LYS 35 HZ2 LYS 35 24.600 21.428 -2.547 128 HZ3 LYS 35 HZ3 LYS 35 23.665 22.758 -2.479 129 H ILE 36 H ILE 36 18.317 18.207 -6.447 130 HA ILE 36 HA ILE 36 16.713 19.832 -8.164 131 HB ILE 36 HB ILE 36 16.562 16.818 -7.691 132 HG12 ILE 36 HG12 ILE 36 18.229 18.299 -9.760 133 HG13 ILE 36 HG13 ILE 36 18.884 17.720 -8.248 134 HG21 ILE 36 HG21 ILE 36 15.811 18.413 -10.178 135 HG22 ILE 36 HG22 ILE 36 15.665 16.658 -9.965 136 HG23 ILE 36 HG23 ILE 36 14.640 17.735 -9.027 137 HD11 ILE 36 HD11 ILE 36 19.447 16.078 -9.810 138 HD12 ILE 36 HD12 ILE 36 18.160 15.395 -8.810 139 HD13 ILE 36 HD13 ILE 36 17.788 15.990 -10.461 140 H LEU 37 H LEU 37 15.790 17.523 -5.589 141 HA LEU 37 HA LEU 37 13.013 18.346 -5.680 142 HB2 LEU 37 HB2 LEU 37 14.555 16.287 -4.105 143 HB3 LEU 37 HB3 LEU 37 12.960 16.710 -3.616 144 HG LEU 37 HG LEU 37 13.465 16.189 -6.572 145 HD11 LEU 37 HD11 LEU 37 13.097 13.853 -6.410 146 HD12 LEU 37 HD12 LEU 37 14.471 14.252 -5.367 147 HD13 LEU 37 HD13 LEU 37 12.864 13.942 -4.659 148 HD21 LEU 37 HD21 LEU 37 11.144 15.347 -6.497 149 HD22 LEU 37 HD22 LEU 37 11.109 15.615 -4.743 150 HD23 LEU 37 HD23 LEU 37 11.230 16.996 -5.861 151 H HIS 38 H HIS 38 15.726 19.511 -3.713 152 HA HIS 38 HA HIS 38 14.081 21.202 -2.024 153 HB2 HIS 38 HB2 HIS 38 16.972 21.077 -2.817 154 HB3 HIS 38 HB3 HIS 38 16.367 22.649 -2.345 155 HD2 HIS 38 HD2 HIS 38 15.019 19.506 -0.550 156 HE1 HIS 38 HE1 HIS 38 17.368 21.720 2.251 157 HE2 HIS 38 HE2 HIS 38 15.782 19.761 1.981 158 H ALA 39 H ALA 39 15.419 21.744 -5.339 159 HA ALA 39 HA ALA 39 14.226 24.331 -5.634 160 HB1 ALA 39 HB1 ALA 39 15.993 23.530 -7.128 161 HB2 ALA 39 HB2 ALA 39 14.936 22.242 -7.737 162 HB3 ALA 39 HB3 ALA 39 14.539 23.928 -8.068 163 H ALA 40 H ALA 40 12.769 21.171 -5.583 164 HA ALA 40 HA ALA 40 10.215 22.116 -6.663 165 HB1 ALA 40 HB1 ALA 40 9.517 19.862 -6.551 166 HB2 ALA 40 HB2 ALA 40 11.234 19.753 -7.020 167 HB3 ALA 40 HB3 ALA 40 10.733 19.424 -5.355 168 H GLY 41 H GLY 41 11.633 22.777 -3.784 169 HA2 GLY 41 HA2 GLY 41 10.799 23.545 -1.786 170 HA3 GLY 41 HA3 GLY 41 9.154 23.213 -2.334 171 H ALA 42 H ALA 42 11.337 20.493 -2.466 172 HA ALA 42 HA ALA 42 9.780 19.098 -0.428 173 HB1 ALA 42 HB1 ALA 42 10.659 17.148 -1.500 174 HB2 ALA 42 HB2 ALA 42 10.423 18.313 -2.819 175 HB3 ALA 42 HB3 ALA 42 12.046 18.050 -2.141 176 H GLN 43 H GLN 43 11.528 17.202 0.411 177 HA GLN 43 HA GLN 43 14.002 18.427 1.569 178 HB2 GLN 43 HB2 GLN 43 12.151 16.476 2.993 179 HB3 GLN 43 HB3 GLN 43 13.718 17.047 3.580 180 HG2 GLN 43 HG2 GLN 43 12.841 19.389 3.592 181 HG3 GLN 43 HG3 GLN 43 11.250 18.775 3.126 182 HE21 GLN 43 HE22 GLN 43 10.147 17.245 4.688 183 HE22 GLN 43 HE21 GLN 43 10.551 17.402 6.391 184 H GLY 44 H GLY 44 14.019 17.310 -0.902 185 HA2 GLY 44 HA2 GLY 44 15.391 15.898 -2.098 186 HA3 GLY 44 HA3 GLY 44 15.890 15.134 -0.593 187 H GLU 45 H GLU 45 15.176 13.145 -0.262 188 HA GLU 45 HA GLU 45 12.754 12.001 -1.524 189 HB2 GLU 45 HB2 GLU 45 15.543 10.849 -1.977 190 HB3 GLU 45 HB3 GLU 45 14.029 10.052 -2.391 191 HG2 GLU 45 HG2 GLU 45 13.472 11.906 -3.930 192 HG3 GLU 45 HG3 GLU 45 15.069 12.612 -3.621 193 H MET 46 H MET 46 13.843 12.647 1.231 194 HA MET 46 HA MET 46 14.415 10.165 2.549 195 HB2 MET 46 HB2 MET 46 14.479 11.348 4.565 196 HB3 MET 46 HB3 MET 46 15.381 12.150 3.273 197 HG2 MET 46 HG2 MET 46 13.520 13.704 2.922 198 HG3 MET 46 HG3 MET 46 12.631 12.986 4.258 199 HE1 MET 46 HE1 MET 46 14.595 14.092 7.423 200 HE2 MET 46 HE2 MET 46 13.150 13.287 6.775 201 HE3 MET 46 HE3 MET 46 14.753 12.539 6.579 202 H PHE 47 H PHE 47 12.167 9.626 1.255 203 HA PHE 47 HA PHE 47 10.076 8.904 3.146 204 HB2 PHE 47 HB2 PHE 47 8.358 10.496 2.006 205 HB3 PHE 47 HB3 PHE 47 9.399 11.072 3.273 206 HD1 PHE 47 HD1 PHE 47 9.381 10.831 -0.486 207 HD2 PHE 47 HD2 PHE 47 10.609 13.060 2.981 208 HE1 PHE 47 HE1 PHE 47 10.158 12.711 -1.948 209 HE2 PHE 47 HE2 PHE 47 11.507 14.852 1.509 210 HZ PHE 47 HZ PHE 47 11.179 14.716 -0.938 211 H THR 48 H THR 48 7.996 8.262 1.987 212 HA THR 48 HA THR 48 8.555 6.082 0.290 213 HB THR 48 HB THR 48 5.783 7.217 0.675 214 HG1 THR 48 HG1 THR 48 5.781 6.414 2.792 215 HG21 THR 48 HG21 THR 48 5.184 4.865 1.276 216 HG22 THR 48 HG22 THR 48 5.718 5.047 -0.387 217 HG23 THR 48 HG23 THR 48 6.810 4.355 0.831 218 H VAL 49 H VAL 49 7.221 5.511 -1.634 219 HA VAL 49 HA VAL 49 7.937 6.947 -3.923 220 HB VAL 49 HB VAL 49 5.629 4.981 -3.624 221 HG11 VAL 49 HG11 VAL 49 7.109 5.907 -6.116 222 HG12 VAL 49 HG12 VAL 49 6.002 4.523 -6.035 223 HG13 VAL 49 HG13 VAL 49 5.391 6.149 -5.749 224 HG21 VAL 49 HG21 VAL 49 7.276 3.337 -4.511 225 HG22 VAL 49 HG22 VAL 49 8.561 4.541 -4.270 226 HG23 VAL 49 HG23 VAL 49 7.621 3.925 -2.890 227 H LYS 50 H LYS 50 4.820 6.983 -2.211 228 HA LYS 50 HA LYS 50 3.530 8.760 -4.039 229 HB2 LYS 50 HB2 LYS 50 1.775 8.971 -2.305 230 HB3 LYS 50 HB3 LYS 50 2.245 7.292 -2.574 231 HG2 LYS 50 HG2 LYS 50 3.669 7.358 -0.529 232 HG3 LYS 50 HG3 LYS 50 3.194 9.043 -0.257 233 HD2 LYS 50 HD2 LYS 50 0.857 8.376 0.040 234 HD3 LYS 50 HD3 LYS 50 1.264 6.684 -0.334 235 HE2 LYS 50 HE2 LYS 50 2.776 6.587 1.616 236 HE3 LYS 50 HE3 LYS 50 2.464 8.287 1.975 237 HZ1 LYS 50 HZ1 LYS 50 0.119 7.703 2.381 238 HZ2 LYS 50 HZ2 LYS 50 0.406 6.129 2.044 239 HZ3 LYS 50 HZ3 LYS 50 1.086 6.822 3.354 240 H GLU 51 H GLU 51 5.647 9.488 -1.375 241 HA GLU 51 HA GLU 51 4.962 12.360 -1.414 242 HB2 GLU 51 HB2 GLU 51 7.158 10.815 0.014 243 HB3 GLU 51 HB3 GLU 51 6.846 12.541 0.206 244 HG2 GLU 51 HG2 GLU 51 4.957 10.266 0.947 245 HG3 GLU 51 HG3 GLU 51 5.930 11.211 2.057 246 H VAL 52 H VAL 52 7.784 10.309 -2.516 247 HA VAL 52 HA VAL 52 9.219 12.518 -3.720 248 HB VAL 52 HB VAL 52 10.183 10.914 -5.276 249 HG11 VAL 52 HG11 VAL 52 10.286 9.959 -2.392 250 HG12 VAL 52 HG12 VAL 52 11.480 9.608 -3.647 251 HG13 VAL 52 HG13 VAL 52 11.278 11.270 -3.113 252 HG21 VAL 52 HG21 VAL 52 8.467 9.203 -5.549 253 HG22 VAL 52 HG22 VAL 52 9.910 8.481 -4.845 254 HG23 VAL 52 HG23 VAL 52 8.566 8.874 -3.789 255 H MET 53 H MET 53 6.774 10.455 -5.141 256 HA MET 53 HA MET 53 6.882 11.849 -7.677 257 HB2 MET 53 HB2 MET 53 5.160 10.523 -8.454 258 HB3 MET 53 HB3 MET 53 6.048 9.493 -7.334 259 HG2 MET 53 HG2 MET 53 4.324 10.028 -5.586 260 HG3 MET 53 HG3 MET 53 3.405 10.920 -6.793 261 HE1 MET 53 HE1 MET 53 2.166 8.190 -9.253 262 HE2 MET 53 HE2 MET 53 2.209 9.920 -8.842 263 HE3 MET 53 HE3 MET 53 3.669 9.110 -9.454 264 H HIS 54 H HIS 54 5.040 12.557 -4.766 265 HA HIS 54 HA HIS 54 3.246 14.548 -5.857 266 HB2 HIS 54 HB2 HIS 54 2.620 13.918 -3.718 267 HB3 HIS 54 HB3 HIS 54 4.252 13.692 -3.176 268 HD2 HIS 54 HD2 HIS 54 5.199 15.368 -1.553 269 HE1 HIS 54 HE1 HIS 54 2.952 18.816 -2.625 270 HE2 HIS 54 HE2 HIS 54 4.726 17.902 -1.047 271 H TYR 55 H TYR 55 6.329 15.034 -4.040 272 HA TYR 55 HA TYR 55 6.833 17.646 -4.784 273 HB2 TYR 55 HB2 TYR 55 8.821 15.408 -4.339 274 HB3 TYR 55 HB3 TYR 55 9.201 17.127 -4.340 275 HD1 TYR 55 HD2 TYR 55 7.624 18.585 -2.680 276 HD2 TYR 55 HD1 TYR 55 8.632 14.435 -2.241 277 HE1 TYR 55 HE2 TYR 55 7.141 18.741 -0.240 278 HE2 TYR 55 HE1 TYR 55 8.149 14.575 0.202 279 HH TYR 55 HH TYR 55 7.479 15.920 1.947 280 H LEU 56 H LEU 56 7.754 14.717 -6.727 281 HA LEU 56 HA LEU 56 9.099 16.311 -8.699 282 HB2 LEU 56 HB2 LEU 56 9.189 13.690 -8.152 283 HB3 LEU 56 HB3 LEU 56 7.956 13.622 -9.408 284 HG LEU 56 HG LEU 56 9.638 14.958 -10.879 285 HD11 LEU 56 HD11 LEU 56 12.037 14.686 -10.200 286 HD12 LEU 56 HD12 LEU 56 11.167 15.741 -9.086 287 HD13 LEU 56 HD13 LEU 56 11.513 14.056 -8.634 288 HD21 LEU 56 HD21 LEU 56 10.332 12.156 -9.899 289 HD22 LEU 56 HD22 LEU 56 9.252 12.596 -11.250 290 HD23 LEU 56 HD23 LEU 56 10.986 12.908 -11.370 291 H GLY 57 H GLY 57 5.684 15.216 -8.516 292 HA2 GLY 57 HA2 GLY 57 4.827 16.088 -11.090 293 HA3 GLY 57 HA3 GLY 57 3.835 16.001 -9.633 294 H GLN 58 H GLN 58 4.859 17.900 -7.946 295 HA GLN 58 HA GLN 58 4.153 20.385 -9.219 296 HB2 GLN 58 HB2 GLN 58 4.535 21.490 -7.161 297 HB3 GLN 58 HB3 GLN 58 3.681 19.973 -6.879 298 HG2 GLN 58 HG2 GLN 58 5.844 18.946 -6.181 299 HG3 GLN 58 HG3 GLN 58 6.640 20.514 -6.354 300 HE21 GLN 58 HE22 GLN 58 7.228 20.422 -4.033 301 HE22 GLN 58 HE21 GLN 58 5.988 20.578 -2.807 302 H TYR 59 H TYR 59 7.364 18.881 -8.649 303 HA TYR 59 HA TYR 59 8.901 21.116 -9.469 304 HB2 TYR 59 HB2 TYR 59 9.775 18.854 -8.605 305 HB3 TYR 59 HB3 TYR 59 9.552 18.238 -10.221 306 HD1 TYR 59 HD1 TYR 59 10.948 21.438 -8.774 307 HD2 TYR 59 HD2 TYR 59 11.582 18.086 -11.418 308 HE1 TYR 59 HE1 TYR 59 13.227 22.235 -9.224 309 HE2 TYR 59 HE2 TYR 59 13.913 18.909 -11.866 310 HH TYR 59 HH TYR 59 15.308 21.671 -10.060 311 H ILE 60 H ILE 60 7.591 18.466 -11.552 312 HA ILE 60 HA ILE 60 8.363 19.572 -14.051 313 HB ILE 60 HB ILE 60 5.881 17.953 -13.360 314 HG12 ILE 60 HG12 ILE 60 8.333 16.765 -14.667 315 HG13 ILE 60 HG13 ILE 60 8.333 16.972 -12.924 316 HG21 ILE 60 HG21 ILE 60 5.945 17.255 -15.779 317 HG22 ILE 60 HG22 ILE 60 5.602 18.969 -15.582 318 HG23 ILE 60 HG23 ILE 60 7.228 18.446 -16.060 319 HD11 ILE 60 HD11 ILE 60 6.150 15.710 -12.811 320 HD12 ILE 60 HD12 ILE 60 6.334 15.342 -14.538 321 HD13 ILE 60 HD13 ILE 60 7.534 14.759 -13.362 322 H MET 61 H MET 61 5.387 20.140 -12.109 323 HA MET 61 HA MET 61 4.126 21.874 -13.942 324 HB2 MET 61 HB2 MET 61 3.225 20.662 -11.843 325 HB3 MET 61 HB3 MET 61 3.835 22.041 -10.925 326 HG2 MET 61 HG2 MET 61 1.497 22.359 -11.395 327 HG3 MET 61 HG3 MET 61 2.407 23.549 -12.314 328 HE1 MET 61 HE1 MET 61 0.999 23.241 -15.716 329 HE2 MET 61 HE2 MET 61 0.896 24.227 -14.240 330 HE3 MET 61 HE3 MET 61 2.482 23.716 -14.859 331 H VAL 62 H VAL 62 6.556 22.700 -11.409 332 HA VAL 62 HA VAL 62 6.325 25.592 -11.878 333 HB VAL 62 HB VAL 62 8.228 23.907 -10.297 334 HG11 VAL 62 HG11 VAL 62 9.048 26.038 -9.281 335 HG12 VAL 62 HG12 VAL 62 9.505 25.885 -10.976 336 HG13 VAL 62 HG13 VAL 62 8.150 26.946 -10.517 337 HG21 VAL 62 HG21 VAL 62 6.095 25.916 -9.442 338 HG22 VAL 62 HG22 VAL 62 5.910 24.155 -9.383 339 HG23 VAL 62 HG23 VAL 62 7.115 24.943 -8.359 340 H LYS 63 H LYS 63 8.727 23.057 -12.675 341 HA LYS 63 HA LYS 63 10.413 24.771 -14.276 342 HB2 LYS 63 HB2 LYS 63 10.474 22.073 -13.287 343 HB3 LYS 63 HB3 LYS 63 10.508 21.927 -15.021 344 HG2 LYS 63 HG2 LYS 63 12.762 22.022 -14.304 345 HG3 LYS 63 HG3 LYS 63 12.444 23.629 -14.987 346 HD2 LYS 63 HD2 LYS 63 11.943 24.431 -12.623 347 HD3 LYS 63 HD3 LYS 63 12.398 22.850 -12.021 348 HE2 LYS 63 HE2 LYS 63 14.215 24.747 -13.606 349 HE3 LYS 63 HE3 LYS 63 14.207 24.589 -11.850 350 HZ1 LYS 63 HZ1 LYS 63 15.038 22.459 -13.786 351 HZ2 LYS 63 HZ2 LYS 63 15.978 23.267 -12.728 352 HZ3 LYS 63 HZ3 LYS 63 14.874 22.214 -12.166 353 H GLN 64 H GLN 64 7.423 23.263 -14.974 354 HA GLN 64 HA GLN 64 6.141 23.012 -16.739 355 HB2 GLN 64 HB2 GLN 64 5.642 25.009 -18.021 356 HB3 GLN 64 HB3 GLN 64 5.798 25.280 -16.294 357 HG2 GLN 64 HG2 GLN 64 8.240 26.058 -16.867 358 HG3 GLN 64 HG3 GLN 64 7.649 26.169 -18.519 359 HE21 GLN 64 HE22 GLN 64 7.189 27.257 -15.118 360 HE22 GLN 64 HE21 GLN 64 6.374 28.761 -15.528 361 H LEU 65 H LEU 65 8.255 21.502 -17.023 362 HA LEU 65 HA LEU 65 9.379 21.727 -19.720 363 HB2 LEU 65 HB2 LEU 65 9.802 19.792 -17.400 364 HB3 LEU 65 HB3 LEU 65 10.580 19.570 -18.953 365 HG LEU 65 HG LEU 65 10.957 22.062 -17.272 366 HD11 LEU 65 HD11 LEU 65 11.808 20.069 -16.088 367 HD12 LEU 65 HD12 LEU 65 12.796 19.658 -17.502 368 HD13 LEU 65 HD13 LEU 65 13.104 21.155 -16.611 369 HD21 LEU 65 HD21 LEU 65 12.961 22.396 -18.687 370 HD22 LEU 65 HD22 LEU 65 12.499 20.988 -19.665 371 HD23 LEU 65 HD23 LEU 65 11.475 22.440 -19.639 372 H TYR 66 H TYR 66 6.908 21.578 -20.339 373 HA TYR 66 HA TYR 66 6.359 18.805 -21.235 374 HB2 TYR 66 HB2 TYR 66 3.931 19.186 -20.677 375 HB3 TYR 66 HB3 TYR 66 5.009 18.923 -19.328 376 HD1 TYR 66 HD1 TYR 66 3.692 21.900 -21.302 377 HD2 TYR 66 HD2 TYR 66 4.597 20.198 -17.438 378 HE1 TYR 66 HE1 TYR 66 2.924 23.983 -20.208 379 HE2 TYR 66 HE2 TYR 66 3.756 22.269 -16.342 380 HH TYR 66 HH TYR 66 2.544 25.077 -18.220 381 H ASP 67 H ASP 67 4.558 18.748 -22.903 382 HA ASP 67 HA ASP 67 5.235 20.613 -25.026 383 HB2 ASP 67 HB2 ASP 67 4.545 18.149 -25.258 384 HB3 ASP 67 HB3 ASP 67 2.892 18.713 -25.039 385 H GLN 68 H GLN 68 4.246 22.405 -25.659 386 HA GLN 68 HA GLN 68 2.385 23.975 -24.320 387 HB2 GLN 68 HB2 GLN 68 2.540 23.851 -27.358 388 HB3 GLN 68 HB3 GLN 68 2.189 25.226 -26.328 389 HG2 GLN 68 HG2 GLN 68 4.299 25.786 -26.777 390 HG3 GLN 68 HG3 GLN 68 4.713 24.691 -25.466 391 HE21 GLN 68 HE22 GLN 68 4.073 22.179 -27.461 392 HE22 GLN 68 HE21 GLN 68 5.534 22.248 -28.407 393 H GLN 69 H GLN 69 1.696 21.415 -26.729 394 HA GLN 69 HA GLN 69 -1.221 21.956 -26.676 395 HB2 GLN 69 HB2 GLN 69 0.610 20.255 -28.390 396 HB3 GLN 69 HB3 GLN 69 -1.125 19.982 -28.361 397 HG2 GLN 69 HG2 GLN 69 -0.686 21.379 -30.224 398 HG3 GLN 69 HG3 GLN 69 -1.554 22.325 -29.029 399 HE21 GLN 69 HE22 GLN 69 -0.606 24.329 -28.399 400 HE22 GLN 69 HE21 GLN 69 0.985 24.814 -28.956 401 H GLU 70 H GLU 70 0.966 19.918 -24.967 402 HA GLU 70 HA GLU 70 -1.293 18.633 -23.639 403 HB2 GLU 70 HB2 GLU 70 -0.213 16.317 -23.914 404 HB3 GLU 70 HB3 GLU 70 -1.325 16.948 -25.115 405 HG2 GLU 70 HG2 GLU 70 0.623 17.618 -26.562 406 HG3 GLU 70 HG3 GLU 70 1.700 16.846 -25.392 407 H GLN 71 H GLN 71 -0.721 19.649 -21.863 408 HA GLN 71 HA GLN 71 1.736 19.687 -20.502 409 HB2 GLN 71 HB2 GLN 71 -1.141 19.663 -19.478 410 HB3 GLN 71 HB3 GLN 71 0.264 19.957 -18.465 411 HG2 GLN 71 HG2 GLN 71 -0.635 22.093 -19.003 412 HG3 GLN 71 HG3 GLN 71 0.889 21.913 -19.851 413 HE21 GLN 71 HE22 GLN 71 0.253 23.636 -21.340 414 HE22 GLN 71 HE21 GLN 71 -0.888 23.278 -22.626 415 H HIS 72 H HIS 72 -0.364 16.961 -21.020 416 HA HIS 72 HA HIS 72 0.513 15.428 -18.755 417 HB2 HIS 72 HB2 HIS 72 -1.001 13.902 -19.354 418 HB3 HIS 72 HB3 HIS 72 -1.673 15.235 -20.257 419 HD2 HIS 72 HD2 HIS 72 -1.924 11.981 -20.913 420 HE1 HIS 72 HE1 HIS 72 0.410 12.913 -24.363 421 HE2 HIS 72 HE2 HIS 72 -1.150 11.185 -23.305 422 H MET 73 H MET 73 2.071 16.194 -21.685 423 HA MET 73 HA MET 73 3.845 13.809 -21.581 424 HB2 MET 73 HB2 MET 73 2.662 14.122 -23.693 425 HB3 MET 73 HB3 MET 73 3.315 15.762 -23.841 426 HG2 MET 73 HG2 MET 73 4.592 14.191 -25.215 427 HG3 MET 73 HG3 MET 73 5.598 14.864 -23.936 428 HE1 MET 73 HE1 MET 73 7.474 13.242 -24.028 429 HE2 MET 73 HE2 MET 73 7.332 11.468 -24.065 430 HE3 MET 73 HE3 MET 73 6.770 12.432 -25.448 431 H VAL 74 H VAL 74 5.826 14.104 -20.749 432 HA VAL 74 HA VAL 74 6.785 16.842 -20.146 433 HB VAL 74 HB VAL 74 7.822 14.196 -19.062 434 HG11 VAL 74 HG11 VAL 74 8.709 15.553 -17.242 435 HG12 VAL 74 HG12 VAL 74 9.331 16.172 -18.771 436 HG13 VAL 74 HG13 VAL 74 8.009 17.017 -17.932 437 HG21 VAL 74 HG21 VAL 74 5.473 14.336 -18.403 438 HG22 VAL 74 HG22 VAL 74 6.473 14.750 -17.014 439 HG23 VAL 74 HG23 VAL 74 5.666 16.040 -17.933 440 H TYR 75 H TYR 75 8.595 17.657 -20.881 441 HA TYR 75 HA TYR 75 10.556 16.147 -22.542 442 HB2 TYR 75 HB2 TYR 75 9.028 18.668 -23.300 443 HB3 TYR 75 HB3 TYR 75 10.576 18.227 -24.021 444 HD1 TYR 75 HD1 TYR 75 10.775 15.695 -24.796 445 HD2 TYR 75 HD2 TYR 75 7.095 17.937 -24.523 446 HE1 TYR 75 HE1 TYR 75 9.722 14.130 -26.362 447 HE2 TYR 75 HE2 TYR 75 6.050 16.399 -26.187 448 HH TYR 75 HH TYR 75 7.837 13.651 -27.647 449 H CYS 76 H CYS 76 12.031 16.217 -21.017 450 HA CYS 76 HA CYS 76 12.542 18.413 -19.231 451 HB2 CYS 76 HB2 CYS 76 13.910 15.809 -19.894 452 HB3 CYS 76 HB3 CYS 76 14.378 16.811 -18.492 453 HG CYS 76 HG CYS 76 12.942 14.735 -17.674 454 H GLY 77 H GLY 77 13.982 17.533 -22.310 455 HA2 GLY 77 HA2 GLY 77 15.759 18.354 -23.512 456 HA3 GLY 77 HA3 GLY 77 15.237 19.887 -22.825 457 H GLY 78 H GLY 78 16.830 17.167 -21.129 458 HA2 GLY 78 HA2 GLY 78 18.984 16.938 -20.316 459 HA3 GLY 78 HA3 GLY 78 19.422 18.512 -20.964 460 H ASP 79 H ASP 79 16.587 18.661 -18.885 461 HA ASP 79 HA ASP 79 17.959 20.071 -16.809 462 HB2 ASP 79 HB2 ASP 79 15.570 20.344 -17.470 463 HB3 ASP 79 HB3 ASP 79 15.219 18.748 -16.808 464 H LEU 80 H LEU 80 18.111 19.443 -14.560 465 HA LEU 80 HA LEU 80 19.376 16.961 -14.070 466 HB2 LEU 80 HB2 LEU 80 18.106 18.900 -12.127 467 HB3 LEU 80 HB3 LEU 80 19.154 17.537 -11.706 468 HG LEU 80 HG LEU 80 20.026 19.922 -13.367 469 HD11 LEU 80 HD11 LEU 80 20.701 19.099 -10.510 470 HD12 LEU 80 HD12 LEU 80 21.357 20.499 -11.387 471 HD13 LEU 80 HD13 LEU 80 19.635 20.443 -10.981 472 HD21 LEU 80 HD21 LEU 80 21.597 17.524 -12.314 473 HD22 LEU 80 HD22 LEU 80 21.329 17.953 -14.021 474 HD23 LEU 80 HD23 LEU 80 22.319 18.995 -13.003 475 H LEU 81 H LEU 81 15.961 17.760 -14.035 476 HA LEU 81 HA LEU 81 14.887 15.429 -12.734 477 HB2 LEU 81 HB2 LEU 81 13.520 17.357 -13.313 478 HB3 LEU 81 HB3 LEU 81 13.936 17.223 -15.012 479 HG LEU 81 HG LEU 81 12.640 15.102 -15.162 480 HD11 LEU 81 HD11 LEU 81 11.854 15.754 -12.293 481 HD12 LEU 81 HD12 LEU 81 11.076 14.534 -13.324 482 HD13 LEU 81 HD13 LEU 81 12.763 14.320 -12.832 483 HD21 LEU 81 HD21 LEU 81 11.625 17.329 -15.652 484 HD22 LEU 81 HD22 LEU 81 10.463 16.129 -15.078 485 HD23 LEU 81 HD23 LEU 81 11.041 17.406 -13.975 486 H GLY 82 H GLY 82 15.846 16.011 -16.117 487 HA2 GLY 82 HA2 GLY 82 15.183 13.354 -17.136 488 HA3 GLY 82 HA3 GLY 82 16.200 14.573 -17.923 489 H GLU 83 H GLU 83 18.238 14.904 -15.885 490 HA GLU 83 HA GLU 83 19.922 12.646 -16.371 491 HB2 GLU 83 HB2 GLU 83 20.828 14.817 -16.106 492 HB3 GLU 83 HB3 GLU 83 19.913 15.091 -14.635 493 HG2 GLU 83 HG2 GLU 83 22.180 14.851 -14.093 494 HG3 GLU 83 HG3 GLU 83 21.198 13.576 -13.381 495 H LEU 84 H LEU 84 17.892 13.573 -13.558 496 HA LEU 84 HA LEU 84 18.648 11.460 -11.823 497 HB2 LEU 84 HB2 LEU 84 17.521 13.435 -11.016 498 HB3 LEU 84 HB3 LEU 84 16.152 13.176 -12.084 499 HG LEU 84 HG LEU 84 15.475 11.174 -10.805 500 HD11 LEU 84 HD11 LEU 84 17.668 10.480 -9.873 501 HD12 LEU 84 HD12 LEU 84 17.715 11.968 -8.900 502 HD13 LEU 84 HD13 LEU 84 16.476 10.735 -8.594 503 HD21 LEU 84 HD21 LEU 84 14.550 13.390 -10.264 504 HD22 LEU 84 HD22 LEU 84 14.694 12.382 -8.815 505 HD23 LEU 84 HD23 LEU 84 15.877 13.676 -9.113 506 H LEU 85 H LEU 85 15.917 11.702 -14.139 507 HA LEU 85 HA LEU 85 15.015 8.980 -13.605 508 HB2 LEU 85 HB2 LEU 85 14.254 11.021 -15.726 509 HB3 LEU 85 HB3 LEU 85 13.421 9.490 -15.488 510 HG LEU 85 HG LEU 85 13.638 11.659 -13.335 511 HD11 LEU 85 HD11 LEU 85 11.272 12.104 -13.868 512 HD12 LEU 85 HD12 LEU 85 12.331 12.422 -15.252 513 HD13 LEU 85 HD13 LEU 85 11.348 10.940 -15.206 514 HD21 LEU 85 HD21 LEU 85 13.253 9.424 -12.366 515 HD22 LEU 85 HD22 LEU 85 11.815 10.441 -12.241 516 HD23 LEU 85 HD23 LEU 85 11.895 9.179 -13.486 517 H GLY 86 H GLY 86 17.395 10.249 -15.811 518 HA2 GLY 86 HA2 GLY 86 18.965 8.992 -16.999 519 HA3 GLY 86 HA3 GLY 86 18.016 7.523 -16.760 520 H ARG 87 H ARG 87 15.869 9.742 -17.791 521 HA ARG 87 HA ARG 87 16.413 9.949 -20.656 522 HB2 ARG 87 HB2 ARG 87 13.973 9.143 -21.135 523 HB3 ARG 87 HB3 ARG 87 15.253 7.969 -21.020 524 HG2 ARG 87 HG2 ARG 87 14.589 7.395 -18.707 525 HG3 ARG 87 HG3 ARG 87 13.296 8.602 -18.758 526 HD2 ARG 87 HD2 ARG 87 13.508 6.286 -20.733 527 HD3 ARG 87 HD3 ARG 87 12.708 6.149 -19.167 528 HE ARG 87 HE ARG 87 11.755 8.408 -20.793 529 HH11 ARG 87 HH11 ARG 87 11.065 4.961 -20.172 530 HH12 ARG 87 HH12 ARG 87 9.381 5.250 -20.626 531 HH21 ARG 87 HH21 ARG 87 9.705 8.471 -21.441 532 HH22 ARG 87 HH22 ARG 87 8.683 7.010 -21.296 533 H GLN 88 H GLN 88 15.503 11.609 -21.567 534 HA GLN 88 HA GLN 88 14.457 13.585 -19.654 535 HB2 GLN 88 HB2 GLN 88 15.594 15.189 -20.897 536 HB3 GLN 88 HB3 GLN 88 16.603 13.770 -21.066 537 HG2 GLN 88 HG2 GLN 88 15.296 13.310 -23.242 538 HG3 GLN 88 HG3 GLN 88 14.665 14.980 -23.041 539 HE21 GLN 88 HE22 GLN 88 16.165 14.202 -25.354 540 HE22 GLN 88 HE21 GLN 88 17.705 15.046 -25.276 541 H SER 89 H SER 89 12.777 11.437 -21.332 542 HA SER 89 HA SER 89 10.517 13.306 -21.314 543 HB2 SER 89 HB2 SER 89 9.625 12.632 -23.493 544 HB3 SER 89 HB3 SER 89 11.169 13.480 -23.632 545 HG SER 89 HG SER 89 11.122 11.606 -24.973 546 H PHE 90 H PHE 90 8.581 12.457 -20.830 547 HA PHE 90 HA PHE 90 7.893 9.660 -20.720 548 HB2 PHE 90 HB2 PHE 90 7.791 9.391 -18.318 549 HB3 PHE 90 HB3 PHE 90 9.437 9.672 -18.815 550 HD1 PHE 90 HD2 PHE 90 10.552 11.885 -18.348 551 HD2 PHE 90 HD1 PHE 90 6.668 10.860 -16.768 552 HE1 PHE 90 HE2 PHE 90 10.781 13.651 -16.622 553 HE2 PHE 90 HE1 PHE 90 6.921 12.613 -15.032 554 HZ PHE 90 HZ PHE 90 8.984 14.005 -14.955 555 H SER 91 H SER 91 5.704 9.491 -19.363 556 HA SER 91 HA SER 91 4.146 12.022 -19.508 557 HB2 SER 91 HB2 SER 91 2.507 11.148 -20.980 558 HB3 SER 91 HB3 SER 91 4.062 10.774 -21.740 559 HG SER 91 HG SER 91 2.931 8.887 -21.796 560 H VAL 92 H VAL 92 1.822 11.626 -18.762 561 HA VAL 92 HA VAL 92 1.749 10.166 -16.268 562 HB VAL 92 HB VAL 92 -0.597 10.728 -16.142 563 HG11 VAL 92 HG11 VAL 92 -0.438 13.138 -16.166 564 HG12 VAL 92 HG12 VAL 92 1.102 12.468 -15.608 565 HG13 VAL 92 HG13 VAL 92 0.953 13.101 -17.262 566 HG21 VAL 92 HG21 VAL 92 -1.335 10.355 -18.443 567 HG22 VAL 92 HG22 VAL 92 -1.721 12.005 -17.950 568 HG23 VAL 92 HG23 VAL 92 -0.329 11.702 -19.017 569 H LYS 93 H LYS 93 1.418 9.024 -19.485 570 HA LYS 93 HA LYS 93 -0.010 6.538 -18.643 571 HB2 LYS 93 HB2 LYS 93 0.940 7.383 -21.406 572 HB3 LYS 93 HB3 LYS 93 -0.004 5.945 -20.998 573 HG2 LYS 93 HG2 LYS 93 -1.772 7.562 -20.030 574 HG3 LYS 93 HG3 LYS 93 -0.896 8.849 -20.867 575 HD2 LYS 93 HD2 LYS 93 -2.203 6.393 -22.116 576 HD3 LYS 93 HD3 LYS 93 -2.781 8.061 -22.207 577 HE2 LYS 93 HE2 LYS 93 -0.709 8.691 -23.467 578 HE3 LYS 93 HE3 LYS 93 -0.173 7.008 -23.405 579 HZ1 LYS 93 HZ1 LYS 93 -2.668 7.939 -24.739 580 HZ2 LYS 93 HZ2 LYS 93 -1.298 7.493 -25.505 581 HZ3 LYS 93 HZ3 LYS 93 -2.162 6.387 -24.676 582 H ASP 94 H ASP 94 3.191 7.726 -19.295 583 HA ASP 94 HA ASP 94 4.311 5.017 -18.714 584 HB2 ASP 94 HB2 ASP 94 4.558 5.679 -21.091 585 HB3 ASP 94 HB3 ASP 94 5.437 7.122 -20.593 586 HA PRO 95 HA PRO 95 5.950 8.124 -15.589 587 HB2 PRO 95 HB2 PRO 95 4.763 7.331 -13.293 588 HB3 PRO 95 HB3 PRO 95 3.886 8.307 -14.510 589 HG2 PRO 95 HG2 PRO 95 3.842 5.275 -14.194 590 HG3 PRO 95 HG3 PRO 95 2.437 6.389 -14.254 591 HD2 PRO 95 HD2 PRO 95 3.339 5.102 -16.483 592 HD3 PRO 95 HD3 PRO 95 2.716 6.779 -16.547 593 H SER 96 H SER 96 6.218 4.871 -16.264 594 HA SER 96 HA SER 96 7.394 3.490 -14.264 595 HB2 SER 96 HB2 SER 96 8.309 3.490 -17.157 596 HB3 SER 96 HB3 SER 96 8.487 2.172 -15.983 597 HG SER 96 HG SER 96 6.606 2.047 -17.445 598 HA PRO 97 HA PRO 97 11.828 5.232 -15.191 599 HB2 PRO 97 HB2 PRO 97 11.059 8.149 -15.463 600 HB3 PRO 97 HB3 PRO 97 12.496 7.289 -16.115 601 HG2 PRO 97 HG2 PRO 97 10.422 7.760 -17.751 602 HG3 PRO 97 HG3 PRO 97 11.121 6.102 -17.706 603 HD2 PRO 97 HD2 PRO 97 8.687 7.131 -16.254 604 HD3 PRO 97 HD3 PRO 97 8.848 5.665 -17.264 605 H LEU 98 H LEU 98 9.336 6.990 -13.304 606 HA LEU 98 HA LEU 98 11.115 7.746 -11.116 607 HB2 LEU 98 HB2 LEU 98 8.085 7.375 -11.319 608 HB3 LEU 98 HB3 LEU 98 8.907 7.733 -9.812 609 HG LEU 98 HG LEU 98 9.834 9.834 -10.862 610 HD11 LEU 98 HD11 LEU 98 8.536 10.787 -12.764 611 HD12 LEU 98 HD12 LEU 98 9.465 9.380 -13.262 612 HD13 LEU 98 HD13 LEU 98 7.716 9.228 -12.979 613 HD21 LEU 98 HD21 LEU 98 7.716 11.045 -10.477 614 HD22 LEU 98 HD22 LEU 98 6.811 9.524 -10.620 615 HD23 LEU 98 HD23 LEU 98 7.947 9.776 -9.273 616 H TYR 99 H TYR 99 8.863 5.010 -11.655 617 HA TYR 99 HA TYR 99 9.448 3.746 -9.174 618 HB2 TYR 99 HB2 TYR 99 8.374 2.587 -11.791 619 HB3 TYR 99 HB3 TYR 99 8.384 1.742 -10.254 620 HD1 TYR 99 HD2 TYR 99 6.920 2.410 -8.391 621 HD2 TYR 99 HD1 TYR 99 6.729 4.386 -12.224 622 HE1 TYR 99 HE2 TYR 99 4.693 3.369 -7.798 623 HE2 TYR 99 HE1 TYR 99 4.522 5.348 -11.623 624 HH TYR 99 HH TYR 99 2.848 5.464 -10.047 625 H ASP 100 H ASP 100 10.995 3.416 -12.386 626 HA ASP 100 HA ASP 100 12.790 1.318 -11.633 627 HB2 ASP 100 HB2 ASP 100 12.217 2.162 -13.952 628 HB3 ASP 100 HB3 ASP 100 13.250 3.550 -13.656 629 H MET 101 H MET 101 12.970 4.825 -11.227 630 HA MET 101 HA MET 101 15.670 4.984 -10.209 631 HB2 MET 101 HB2 MET 101 14.997 7.035 -10.909 632 HB3 MET 101 HB3 MET 101 13.303 6.715 -10.625 633 HG2 MET 101 HG2 MET 101 13.691 7.052 -8.184 634 HG3 MET 101 HG3 MET 101 15.296 7.671 -8.601 635 HE1 MET 101 HE1 MET 101 11.276 9.828 -8.651 636 HE2 MET 101 HE2 MET 101 11.415 8.058 -8.822 637 HE3 MET 101 HE3 MET 101 12.043 8.878 -7.374 638 H LEU 102 H LEU 102 12.507 4.334 -8.726 639 HA LEU 102 HA LEU 102 13.580 4.456 -6.003 640 HB2 LEU 102 HB2 LEU 102 10.811 3.937 -7.142 641 HB3 LEU 102 HB3 LEU 102 11.150 4.060 -5.415 642 HG LEU 102 HG LEU 102 11.861 6.295 -7.352 643 HD11 LEU 102 HD11 LEU 102 9.414 5.779 -7.435 644 HD12 LEU 102 HD12 LEU 102 9.350 6.133 -5.692 645 HD13 LEU 102 HD13 LEU 102 9.815 7.395 -6.857 646 HD21 LEU 102 HD21 LEU 102 11.906 7.688 -5.368 647 HD22 LEU 102 HD22 LEU 102 11.405 6.318 -4.345 648 HD23 LEU 102 HD23 LEU 102 12.996 6.339 -5.141 649 H ARG 103 H ARG 103 12.351 1.809 -8.080 650 HA ARG 103 HA ARG 103 12.397 -0.306 -6.209 651 HB2 ARG 103 HB2 ARG 103 12.473 -1.774 -8.117 652 HB3 ARG 103 HB3 ARG 103 11.492 -0.365 -8.509 653 HG2 ARG 103 HG2 ARG 103 12.607 -0.683 -10.448 654 HG3 ARG 103 HG3 ARG 103 13.572 0.570 -9.679 655 HD2 ARG 103 HD2 ARG 103 15.315 -1.076 -9.130 656 HD3 ARG 103 HD3 ARG 103 14.276 -2.391 -9.729 657 HE ARG 103 HE ARG 103 14.595 -0.464 -11.815 658 HH11 ARG 103 HH11 ARG 103 16.662 -2.820 -10.206 659 HH12 ARG 103 HH12 ARG 103 17.701 -2.931 -11.601 660 HH21 ARG 103 HH21 ARG 103 15.831 -0.649 -13.426 661 HH22 ARG 103 HH22 ARG 103 17.245 -1.710 -13.447 662 H LYS 104 H LYS 104 15.021 1.260 -7.707 663 HA LYS 104 HA LYS 104 17.153 -0.602 -7.101 664 HB2 LYS 104 HB2 LYS 104 17.182 1.074 -8.902 665 HB3 LYS 104 HB3 LYS 104 17.145 2.380 -7.705 666 HG2 LYS 104 HG2 LYS 104 19.363 1.823 -6.921 667 HG3 LYS 104 HG3 LYS 104 19.373 0.304 -7.831 668 HD2 LYS 104 HD2 LYS 104 20.750 2.093 -8.876 669 HD3 LYS 104 HD3 LYS 104 19.483 1.469 -9.942 670 HE2 LYS 104 HE2 LYS 104 18.058 3.407 -9.481 671 HE3 LYS 104 HE3 LYS 104 19.209 4.016 -8.283 672 HZ1 LYS 104 HZ1 LYS 104 19.500 5.142 -10.431 673 HZ2 LYS 104 HZ2 LYS 104 20.845 4.288 -10.088 674 HZ3 LYS 104 HZ3 LYS 104 19.784 3.729 -11.197 675 H ASN 105 H ASN 105 15.564 1.909 -5.179 676 HA ASN 105 HA ASN 105 17.504 1.277 -2.961 677 HB2 ASN 105 HB2 ASN 105 17.473 3.650 -3.790 678 HB3 ASN 105 HB3 ASN 105 15.839 3.800 -3.156 679 HD21 ASN 105 HD22 ASN 105 19.263 3.497 -2.323 680 HD22 ASN 105 HD21 ASN 105 19.036 3.739 -0.599 681 H LEU 106 H LEU 106 14.014 2.309 -3.135 682 HA LEU 106 HA LEU 106 13.275 0.909 -0.729 683 HB2 LEU 106 HB2 LEU 106 12.241 2.953 -2.166 684 HB3 LEU 106 HB3 LEU 106 11.391 1.659 -2.974 685 HG LEU 106 HG LEU 106 11.243 2.518 -0.067 686 HD11 LEU 106 HD11 LEU 106 8.885 2.953 -0.681 687 HD12 LEU 106 HD12 LEU 106 10.005 3.845 -1.726 688 HD13 LEU 106 HD13 LEU 106 9.210 2.364 -2.322 689 HD21 LEU 106 HD21 LEU 106 9.396 0.837 0.198 690 HD22 LEU 106 HD22 LEU 106 9.914 0.076 -1.317 691 HD23 LEU 106 HD23 LEU 106 10.995 0.128 0.104 692 H VAL 107 H VAL 107 12.415 -1.199 -0.579 693 HA VAL 107 HA VAL 107 12.562 -3.003 -2.885 694 HB VAL 107 HB VAL 107 11.420 -3.569 -0.121 695 HG11 VAL 107 HG11 VAL 107 12.439 -5.420 -2.337 696 HG12 VAL 107 HG12 VAL 107 11.892 -5.928 -0.725 697 HG13 VAL 107 HG13 VAL 107 10.739 -5.225 -1.859 698 HG21 VAL 107 HG21 VAL 107 13.782 -2.918 0.104 699 HG22 VAL 107 HG22 VAL 107 13.614 -4.659 0.317 700 HG23 VAL 107 HG23 VAL 107 14.233 -4.015 -1.219 701 H THR 108 H THR 108 11.222 -1.656 -4.218 702 HA THR 108 HA THR 108 8.298 -2.167 -3.900 703 HB THR 108 HB THR 108 8.953 0.169 -3.279 704 HG1 THR 108 HG1 THR 108 7.081 0.904 -4.167 705 HG21 THR 108 HG21 THR 108 9.193 1.848 -5.010 706 HG22 THR 108 HG22 THR 108 10.561 0.719 -5.080 707 HG23 THR 108 HG23 THR 108 9.245 0.604 -6.273 708 H LEU 109 H LEU 109 7.156 -1.487 -5.931 709 HA LEU 109 HA LEU 109 8.110 -3.416 -7.981 710 HB2 LEU 109 HB2 LEU 109 5.402 -2.141 -7.429 711 HB3 LEU 109 HB3 LEU 109 5.724 -3.103 -8.852 712 HG LEU 109 HG LEU 109 4.545 -4.411 -7.256 713 HD11 LEU 109 HD11 LEU 109 6.239 -5.552 -8.670 714 HD12 LEU 109 HD12 LEU 109 7.409 -5.435 -7.334 715 HD13 LEU 109 HD13 LEU 109 5.926 -6.385 -7.139 716 HD21 LEU 109 HD21 LEU 109 6.843 -4.195 -5.283 717 HD22 LEU 109 HD22 LEU 109 5.313 -3.289 -5.158 718 HD23 LEU 109 HD23 LEU 109 5.310 -5.059 -5.089 719 H ALA 110 H ALA 110 8.210 -3.036 -10.158 720 HA ALA 110 HA ALA 110 7.679 -0.404 -11.318 721 HB1 ALA 110 HB1 ALA 110 10.463 -1.632 -11.450 722 HB2 ALA 110 HB2 ALA 110 9.919 -0.151 -12.266 723 HB3 ALA 110 HB3 ALA 110 10.027 -0.190 -10.493 724 H THR 111 H THR 111 8.363 -0.517 -13.770 725 HA THR 111 HA THR 111 7.991 -3.160 -15.008 726 HB THR 111 HB THR 111 5.780 -2.434 -14.196 727 HG1 THR 111 HG1 THR 111 4.782 -3.023 -16.141 728 HG21 THR 111 HG21 THR 111 5.871 -0.309 -16.383 729 HG22 THR 111 HG22 THR 111 4.488 -0.733 -15.356 730 HG23 THR 111 HG23 THR 111 5.918 0.016 -14.635 731 HD1 49H 200 HD1 49H 200 1.794 14.562 -13.501 732 HD2 49H 200 HD2 49H 200 2.128 13.110 -9.454 733 HD3 49H 200 HD3 49H 200 0.355 11.879 -13.280 734 HD4 49H 200 HD4 49H 200 -1.047 11.695 -9.213 735 HD5 49H 200 HD5 49H 200 -2.769 14.299 -14.633 736 HE1 49H 200 HE1 49H 200 4.045 13.683 -13.996 737 HE2 49H 200 HE2 49H 200 4.371 12.213 -9.974 738 HE4 49H 200 HE4 49H 200 -0.532 9.279 -9.145 739 HE5 49H 200 HE5 49H 200 -3.278 15.193 -16.840 740 HE6 49H 200 HE6 49H 200 -0.014 17.927 -16.538 741 HZ2 49H 200 HZ2 49H 200 0.446 8.158 -11.137 742 HM11 49H 200 HM11 49H 200 -3.250 17.746 -19.577 743 HM12 49H 200 HM12 49H 200 -3.518 16.124 -18.888 744 HM13 49H 200 HM13 49H 200 -4.002 17.581 -17.967 745 HM21 49H 200 HM21 49H 200 3.527 17.178 -16.269 746 HM22 49H 200 HM22 49H 200 3.128 15.861 -15.155 747 HM23 49H 200 HM23 49H 200 2.030 16.270 -16.479 748 HM31 49H 200 HM31 49H 200 2.359 18.781 -12.981 749 HM32 49H 200 HM32 49H 200 3.350 17.329 -13.160 750 HM33 49H 200 HM33 49H 200 3.720 18.788 -14.103 751 HN1 49H 200 HN1 49H 200 -3.275 20.567 -10.662 752 H21 49H 200 H21 49H 200 -3.051 18.018 -10.070 753 H22 49H 200 H22 49H 200 -4.045 18.455 -11.473 754 H31 49H 200 H31 49H 200 -2.408 16.615 -11.845 755 H32 49H 200 H32 49H 200 -2.252 17.946 -13.010 756 H41 49H 200 H41 49H 200 0.173 19.609 -12.397 757 H42 49H 200 H42 49H 200 0.491 19.345 -10.670 758 H7 49H 200 H7 49H 200 -1.504 13.633 -10.518 759 H8 49H 200 H8 49H 200 0.404 14.727 -10.024 760 H9 49H 200 H9 49H 200 1.652 18.565 -15.392 Start of MODEL 4 1 H1 GLN 23 H GLN 23 14.976 5.255 11.471 2 HA GLN 23 HA GLN 23 16.192 5.359 8.819 3 HB2 GLN 23 HB2 GLN 23 17.619 3.742 10.057 4 HB3 GLN 23 HB3 GLN 23 16.200 2.738 10.378 5 HG2 GLN 23 HG2 GLN 23 15.927 2.313 7.963 6 HG3 GLN 23 HG3 GLN 23 17.238 3.443 7.593 7 HE21 GLN 23 HE22 GLN 23 16.540 0.307 9.267 8 HE22 GLN 23 HE21 GLN 23 18.173 -0.307 9.050 9 H ILE 24 H ILE 24 14.812 4.682 7.174 10 HA ILE 24 HA ILE 24 12.129 3.610 7.844 11 HB ILE 24 HB ILE 24 11.285 5.269 6.110 12 HG12 ILE 24 HG12 ILE 24 13.756 6.853 6.930 13 HG13 ILE 24 HG13 ILE 24 13.385 6.243 5.320 14 HG21 ILE 24 HG21 ILE 24 11.977 6.377 8.842 15 HG22 ILE 24 HG22 ILE 24 10.606 6.835 7.797 16 HG23 ILE 24 HG23 ILE 24 10.667 5.220 8.500 17 HD11 ILE 24 HD11 ILE 24 12.908 8.586 5.336 18 HD12 ILE 24 HD12 ILE 24 11.327 7.793 5.347 19 HD13 ILE 24 HD13 ILE 24 11.986 8.478 6.840 20 H ASN 25 H ASN 25 10.889 2.861 6.077 21 HA ASN 25 HA ASN 25 12.603 1.274 4.334 22 HB2 ASN 25 HB2 ASN 25 9.627 0.991 4.845 23 HB3 ASN 25 HB3 ASN 25 10.721 -0.240 4.200 24 HD21 ASN 25 HD22 ASN 25 12.737 -0.612 5.868 25 HD22 ASN 25 HD21 ASN 25 12.222 -0.734 7.543 26 H GLN 26 H GLN 26 12.954 3.413 3.249 27 HA GLN 26 HA GLN 26 11.649 3.751 0.674 28 HB2 GLN 26 HB2 GLN 26 10.889 6.100 1.191 29 HB3 GLN 26 HB3 GLN 26 9.882 4.786 1.699 30 HG2 GLN 26 HG2 GLN 26 11.665 5.484 3.887 31 HG3 GLN 26 HG3 GLN 26 10.935 6.934 3.274 32 HE21 GLN 26 HE22 GLN 26 9.408 3.608 3.513 33 HE22 GLN 26 HE21 GLN 26 8.245 4.132 4.710 34 H VAL 27 H VAL 27 12.476 6.270 0.027 35 HA VAL 27 HA VAL 27 15.372 5.747 -0.197 36 HB VAL 27 HB VAL 27 14.949 7.773 -1.948 37 HG11 VAL 27 HG11 VAL 27 14.670 6.069 -3.681 38 HG12 VAL 27 HG12 VAL 27 15.891 5.622 -2.483 39 HG13 VAL 27 HG13 VAL 27 14.267 4.867 -2.429 40 HG21 VAL 27 HG21 VAL 27 12.887 7.612 -3.127 41 HG22 VAL 27 HG22 VAL 27 12.281 6.312 -2.089 42 HG23 VAL 27 HG23 VAL 27 12.479 7.960 -1.450 43 H ARG 28 H ARG 28 16.764 7.711 -0.527 44 HA ARG 28 HA ARG 28 16.257 10.211 0.684 45 HB2 ARG 28 HB2 ARG 28 16.844 9.058 2.790 46 HB3 ARG 28 HB3 ARG 28 18.313 8.400 2.058 47 HG2 ARG 28 HG2 ARG 28 19.249 10.678 1.821 48 HG3 ARG 28 HG3 ARG 28 17.750 11.380 2.425 49 HD2 ARG 28 HD2 ARG 28 19.399 11.458 4.146 50 HD3 ARG 28 HD3 ARG 28 18.147 10.311 4.616 51 HE ARG 28 HE ARG 28 19.673 8.578 4.572 52 HH11 ARG 28 HH11 ARG 28 21.241 11.259 2.909 53 HH12 ARG 28 HH12 ARG 28 22.785 10.457 2.922 54 HH21 ARG 28 HH21 ARG 28 21.663 7.628 4.515 55 HH22 ARG 28 HH22 ARG 28 23.011 8.456 3.795 56 HA PRO 29 HA PRO 29 19.592 10.564 -2.415 57 HB2 PRO 29 HB2 PRO 29 19.424 13.378 -2.656 58 HB3 PRO 29 HB3 PRO 29 18.404 12.185 -3.495 59 HG2 PRO 29 HG2 PRO 29 17.485 14.057 -1.531 60 HG3 PRO 29 HG3 PRO 29 16.641 12.651 -2.189 61 HD2 PRO 29 HD2 PRO 29 18.290 12.823 0.330 62 HD3 PRO 29 HD3 PRO 29 16.711 12.047 0.075 63 H LYS 30 H LYS 30 21.524 11.802 -3.011 64 HA LYS 30 HA LYS 30 23.280 12.626 -0.753 65 HB2 LYS 30 HB2 LYS 30 24.030 11.078 -2.637 66 HB3 LYS 30 HB3 LYS 30 23.891 12.449 -3.743 67 HG2 LYS 30 HG2 LYS 30 25.593 13.679 -2.342 68 HG3 LYS 30 HG3 LYS 30 25.712 12.255 -1.294 69 HD2 LYS 30 HD2 LYS 30 26.495 10.916 -3.236 70 HD3 LYS 30 HD3 LYS 30 26.344 12.351 -4.281 71 HE2 LYS 30 HE2 LYS 30 27.988 13.559 -2.856 72 HE3 LYS 30 HE3 LYS 30 28.129 12.146 -1.806 73 HZ1 LYS 30 HZ1 LYS 30 29.931 12.213 -3.436 74 HZ2 LYS 30 HZ2 LYS 30 29.013 10.895 -3.710 75 HZ3 LYS 30 HZ3 LYS 30 28.885 12.200 -4.687 76 H LEU 31 H LEU 31 24.335 14.794 -0.890 77 HA LEU 31 HA LEU 31 22.508 16.843 -0.927 78 HB2 LEU 31 HB2 LEU 31 25.517 16.796 -1.076 79 HB3 LEU 31 HB3 LEU 31 24.700 18.328 -1.286 80 HG LEU 31 HG LEU 31 25.472 17.988 0.992 81 HD11 LEU 31 HD11 LEU 31 22.430 18.012 0.932 82 HD12 LEU 31 HD12 LEU 31 23.497 18.696 2.168 83 HD13 LEU 31 HD13 LEU 31 23.471 19.402 0.545 84 HD21 LEU 31 HD21 LEU 31 23.425 15.748 1.243 85 HD22 LEU 31 HD22 LEU 31 25.197 15.539 1.192 86 HD23 LEU 31 HD23 LEU 31 24.444 16.419 2.528 87 HA PRO 32 HA PRO 32 23.468 18.398 -5.374 88 HB2 PRO 32 HB2 PRO 32 24.395 15.875 -6.730 89 HB3 PRO 32 HB3 PRO 32 24.892 17.569 -7.028 90 HG2 PRO 32 HG2 PRO 32 26.526 15.909 -5.657 91 HG3 PRO 32 HG3 PRO 32 26.264 17.582 -5.055 92 HD2 PRO 32 HD2 PRO 32 24.873 15.034 -4.164 93 HD3 PRO 32 HD3 PRO 32 25.675 16.281 -3.165 94 H LEU 33 H LEU 33 22.148 15.181 -4.746 95 HA LEU 33 HA LEU 33 20.124 15.447 -6.884 96 HB2 LEU 33 HB2 LEU 33 20.512 13.261 -4.819 97 HB3 LEU 33 HB3 LEU 33 19.458 13.212 -6.227 98 HG LEU 33 HG LEU 33 22.505 13.234 -6.198 99 HD11 LEU 33 HD11 LEU 33 21.426 11.083 -5.659 100 HD12 LEU 33 HD12 LEU 33 20.497 11.165 -7.172 101 HD13 LEU 33 HD13 LEU 33 22.268 11.020 -7.214 102 HD21 LEU 33 HD21 LEU 33 20.662 13.280 -8.626 103 HD22 LEU 33 HD22 LEU 33 21.825 14.539 -8.154 104 HD23 LEU 33 HD23 LEU 33 22.405 12.953 -8.659 105 H LEU 34 H LEU 34 20.313 15.592 -3.355 106 HA LEU 34 HA LEU 34 17.522 16.148 -2.792 107 HB2 LEU 34 HB2 LEU 34 19.264 15.388 -1.184 108 HB3 LEU 34 HB3 LEU 34 20.198 16.828 -1.428 109 HG LEU 34 HG LEU 34 17.402 17.132 -0.301 110 HD11 LEU 34 HD11 LEU 34 19.874 16.286 1.275 111 HD12 LEU 34 HD12 LEU 34 18.318 16.795 1.968 112 HD13 LEU 34 HD13 LEU 34 18.412 15.305 1.022 113 HD21 LEU 34 HD21 LEU 34 18.694 19.185 -0.767 114 HD22 LEU 34 HD22 LEU 34 18.586 18.946 0.977 115 HD23 LEU 34 HD23 LEU 34 20.085 18.545 0.132 116 H LYS 35 H LYS 35 20.197 18.222 -3.874 117 HA LYS 35 HA LYS 35 19.035 20.775 -3.622 118 HB2 LYS 35 HB2 LYS 35 21.372 19.772 -4.634 119 HB3 LYS 35 HB3 LYS 35 20.548 20.077 -6.144 120 HG2 LYS 35 HG2 LYS 35 21.891 21.956 -5.656 121 HG3 LYS 35 HG3 LYS 35 20.223 22.482 -5.381 122 HD2 LYS 35 HD2 LYS 35 20.513 22.431 -2.981 123 HD3 LYS 35 HD3 LYS 35 21.953 21.417 -3.109 124 HE2 LYS 35 HE2 LYS 35 22.696 23.600 -2.528 125 HE3 LYS 35 HE3 LYS 35 23.198 23.261 -4.184 126 HZ1 LYS 35 HZ1 LYS 35 22.271 25.511 -3.942 127 HZ2 LYS 35 HZ2 LYS 35 21.333 24.653 -4.958 128 HZ3 LYS 35 HZ3 LYS 35 20.843 24.930 -3.419 129 H ILE 36 H ILE 36 18.514 18.349 -6.098 130 HA ILE 36 HA ILE 36 17.056 19.915 -7.997 131 HB ILE 36 HB ILE 36 16.853 16.896 -7.602 132 HG12 ILE 36 HG12 ILE 36 19.010 18.442 -9.101 133 HG13 ILE 36 HG13 ILE 36 19.233 17.592 -7.589 134 HG21 ILE 36 HG21 ILE 36 15.264 17.897 -9.234 135 HG22 ILE 36 HG22 ILE 36 16.638 18.605 -10.118 136 HG23 ILE 36 HG23 ILE 36 16.429 16.844 -10.016 137 HD11 ILE 36 HD11 ILE 36 18.595 16.237 -10.198 138 HD12 ILE 36 HD12 ILE 36 20.126 16.234 -9.277 139 HD13 ILE 36 HD13 ILE 36 18.685 15.443 -8.608 140 H LEU 37 H LEU 37 15.937 17.584 -5.495 141 HA LEU 37 HA LEU 37 13.171 18.393 -5.879 142 HB2 LEU 37 HB2 LEU 37 14.571 16.378 -4.108 143 HB3 LEU 37 HB3 LEU 37 12.966 16.827 -3.734 144 HG LEU 37 HG LEU 37 13.650 16.196 -6.633 145 HD11 LEU 37 HD11 LEU 37 13.130 13.870 -6.365 146 HD12 LEU 37 HD12 LEU 37 14.500 14.291 -5.325 147 HD13 LEU 37 HD13 LEU 37 12.872 14.083 -4.624 148 HD21 LEU 37 HD21 LEU 37 11.315 15.470 -6.748 149 HD22 LEU 37 HD22 LEU 37 11.129 15.729 -5.001 150 HD23 LEU 37 HD23 LEU 37 11.381 17.112 -6.089 151 H HIS 38 H HIS 38 15.695 19.582 -3.709 152 HA HIS 38 HA HIS 38 13.981 21.323 -2.168 153 HB2 HIS 38 HB2 HIS 38 16.909 21.215 -2.832 154 HB3 HIS 38 HB3 HIS 38 16.256 22.754 -2.314 155 HD2 HIS 38 HD2 HIS 38 15.529 19.179 -0.901 156 HE1 HIS 38 HE1 HIS 38 16.776 21.688 2.325 157 HE2 HIS 38 HE2 HIS 38 15.988 19.358 1.711 158 H ALA 39 H ALA 39 15.418 21.762 -5.464 159 HA ALA 39 HA ALA 39 14.532 24.406 -5.850 160 HB1 ALA 39 HB1 ALA 39 15.999 23.044 -7.412 161 HB2 ALA 39 HB2 ALA 39 14.510 22.254 -8.002 162 HB3 ALA 39 HB3 ALA 39 14.724 23.985 -8.214 163 H ALA 40 H ALA 40 12.597 21.507 -5.667 164 HA ALA 40 HA ALA 40 10.140 23.003 -6.406 165 HB1 ALA 40 HB1 ALA 40 10.653 20.010 -6.314 166 HB2 ALA 40 HB2 ALA 40 9.120 20.792 -6.758 167 HB3 ALA 40 HB3 ALA 40 10.551 21.051 -7.760 168 H GLY 41 H GLY 41 11.650 23.128 -3.772 169 HA2 GLY 41 HA2 GLY 41 10.965 23.661 -1.662 170 HA3 GLY 41 HA3 GLY 41 9.298 23.357 -2.149 171 H ALA 42 H ALA 42 11.418 20.612 -2.535 172 HA ALA 42 HA ALA 42 9.925 19.149 -0.537 173 HB1 ALA 42 HB1 ALA 42 10.647 18.433 -2.915 174 HB2 ALA 42 HB2 ALA 42 12.265 18.210 -2.208 175 HB3 ALA 42 HB3 ALA 42 10.895 17.246 -1.623 176 H GLN 43 H GLN 43 11.521 17.305 0.355 177 HA GLN 43 HA GLN 43 13.934 18.420 1.723 178 HB2 GLN 43 HB2 GLN 43 11.892 16.550 2.980 179 HB3 GLN 43 HB3 GLN 43 13.445 17.013 3.689 180 HG2 GLN 43 HG2 GLN 43 12.723 19.402 3.682 181 HG3 GLN 43 HG3 GLN 43 11.143 18.911 3.061 182 HE21 GLN 43 HE22 GLN 43 9.796 17.439 4.478 183 HE22 GLN 43 HE21 GLN 43 10.049 17.541 6.214 184 H GLY 44 H GLY 44 14.122 17.350 -0.735 185 HA2 GLY 44 HA2 GLY 44 15.556 15.948 -1.865 186 HA3 GLY 44 HA3 GLY 44 15.886 15.081 -0.361 187 H GLU 45 H GLU 45 15.240 13.065 -0.404 188 HA GLU 45 HA GLU 45 12.698 12.183 -1.656 189 HB2 GLU 45 HB2 GLU 45 15.372 10.783 -2.090 190 HB3 GLU 45 HB3 GLU 45 13.801 10.130 -2.530 191 HG2 GLU 45 HG2 GLU 45 13.411 11.918 -4.119 192 HG3 GLU 45 HG3 GLU 45 14.990 12.627 -3.746 193 H MET 46 H MET 46 13.863 12.693 1.115 194 HA MET 46 HA MET 46 14.385 10.114 2.322 195 HB2 MET 46 HB2 MET 46 15.607 12.057 2.783 196 HB3 MET 46 HB3 MET 46 14.179 12.836 3.513 197 HG2 MET 46 HG2 MET 46 14.196 11.100 5.304 198 HG3 MET 46 HG3 MET 46 15.530 10.281 4.495 199 HE1 MET 46 HE1 MET 46 15.814 14.327 6.763 200 HE2 MET 46 HE2 MET 46 14.979 14.224 5.201 201 HE3 MET 46 HE3 MET 46 14.344 13.341 6.611 202 H PHE 47 H PHE 47 12.145 9.641 1.289 203 HA PHE 47 HA PHE 47 10.103 9.069 3.246 204 HB2 PHE 47 HB2 PHE 47 8.397 10.686 2.174 205 HB3 PHE 47 HB3 PHE 47 9.525 11.259 3.373 206 HD1 PHE 47 HD1 PHE 47 9.374 10.910 -0.394 207 HD2 PHE 47 HD2 PHE 47 10.678 13.245 2.977 208 HE1 PHE 47 HE1 PHE 47 10.135 12.730 -1.931 209 HE2 PHE 47 HE2 PHE 47 11.516 15.007 1.411 210 HZ PHE 47 HZ PHE 47 11.162 14.770 -1.015 211 H THR 48 H THR 48 7.999 8.379 2.124 212 HA THR 48 HA THR 48 8.636 6.249 0.390 213 HB THR 48 HB THR 48 5.749 7.103 0.691 214 HG1 THR 48 HG1 THR 48 5.752 6.539 2.864 215 HG21 THR 48 HG21 THR 48 6.223 4.831 -0.144 216 HG22 THR 48 HG22 THR 48 7.253 4.506 1.274 217 HG23 THR 48 HG23 THR 48 5.505 4.748 1.461 218 H VAL 49 H VAL 49 7.379 5.611 -1.547 219 HA VAL 49 HA VAL 49 7.867 7.002 -3.854 220 HB VAL 49 HB VAL 49 5.510 5.143 -3.347 221 HG11 VAL 49 HG11 VAL 49 5.781 4.594 -5.792 222 HG12 VAL 49 HG12 VAL 49 5.137 6.202 -5.475 223 HG13 VAL 49 HG13 VAL 49 6.834 6.019 -5.941 224 HG21 VAL 49 HG21 VAL 49 7.516 4.000 -2.700 225 HG22 VAL 49 HG22 VAL 49 7.071 3.408 -4.297 226 HG23 VAL 49 HG23 VAL 49 8.394 4.582 -4.127 227 H LYS 50 H LYS 50 4.844 7.174 -1.973 228 HA LYS 50 HA LYS 50 3.462 8.875 -3.821 229 HB2 LYS 50 HB2 LYS 50 3.049 8.458 -0.819 230 HB3 LYS 50 HB3 LYS 50 1.873 9.221 -1.885 231 HG2 LYS 50 HG2 LYS 50 1.456 7.203 -3.094 232 HG3 LYS 50 HG3 LYS 50 2.803 6.349 -2.343 233 HD2 LYS 50 HD2 LYS 50 0.396 7.388 -0.794 234 HD3 LYS 50 HD3 LYS 50 0.537 5.746 -1.439 235 HE2 LYS 50 HE2 LYS 50 2.574 5.349 -0.089 236 HE3 LYS 50 HE3 LYS 50 2.498 6.984 0.563 237 HZ1 LYS 50 HZ1 LYS 50 0.333 6.411 1.564 238 HZ2 LYS 50 HZ2 LYS 50 0.409 4.894 0.961 239 HZ3 LYS 50 HZ3 LYS 50 1.482 5.380 2.089 240 H GLU 51 H GLU 51 5.659 9.647 -1.221 241 HA GLU 51 HA GLU 51 5.013 12.525 -1.320 242 HB2 GLU 51 HB2 GLU 51 7.198 10.991 0.126 243 HB3 GLU 51 HB3 GLU 51 6.887 12.723 0.292 244 HG2 GLU 51 HG2 GLU 51 5.024 10.441 1.081 245 HG3 GLU 51 HG3 GLU 51 5.968 11.443 2.168 246 H VAL 52 H VAL 52 7.753 10.387 -2.476 247 HA VAL 52 HA VAL 52 9.191 12.580 -3.716 248 HB VAL 52 HB VAL 52 10.110 11.020 -5.287 249 HG11 VAL 52 HG11 VAL 52 10.252 10.022 -2.417 250 HG12 VAL 52 HG12 VAL 52 11.418 9.651 -3.696 251 HG13 VAL 52 HG13 VAL 52 11.246 11.315 -3.158 252 HG21 VAL 52 HG21 VAL 52 8.345 9.307 -5.551 253 HG22 VAL 52 HG22 VAL 52 9.877 8.608 -5.064 254 HG23 VAL 52 HG23 VAL 52 8.627 8.860 -3.837 255 H MET 53 H MET 53 6.702 10.529 -5.081 256 HA MET 53 HA MET 53 6.750 11.886 -7.616 257 HB2 MET 53 HB2 MET 53 4.996 10.550 -8.313 258 HB3 MET 53 HB3 MET 53 5.912 9.553 -7.189 259 HG2 MET 53 HG2 MET 53 4.224 10.212 -5.408 260 HG3 MET 53 HG3 MET 53 3.262 10.962 -6.680 261 HE1 MET 53 HE1 MET 53 2.327 9.631 -8.788 262 HE2 MET 53 HE2 MET 53 3.816 8.717 -9.123 263 HE3 MET 53 HE3 MET 53 2.281 7.856 -8.907 264 H HIS 54 H HIS 54 5.108 12.751 -4.665 265 HA HIS 54 HA HIS 54 3.294 14.747 -5.754 266 HB2 HIS 54 HB2 HIS 54 2.690 14.132 -3.606 267 HB3 HIS 54 HB3 HIS 54 4.328 13.901 -3.079 268 HD2 HIS 54 HD2 HIS 54 5.290 15.595 -1.480 269 HE1 HIS 54 HE1 HIS 54 3.067 19.045 -2.601 270 HE2 HIS 54 HE2 HIS 54 4.841 18.143 -1.016 271 H TYR 55 H TYR 55 6.413 15.219 -3.973 272 HA TYR 55 HA TYR 55 6.935 17.816 -4.747 273 HB2 TYR 55 HB2 TYR 55 8.908 15.561 -4.321 274 HB3 TYR 55 HB3 TYR 55 9.308 17.275 -4.338 275 HD1 TYR 55 HD1 TYR 55 7.784 18.765 -2.663 276 HD2 TYR 55 HD2 TYR 55 8.695 14.588 -2.228 277 HE1 TYR 55 HE1 TYR 55 7.296 18.932 -0.230 278 HE2 TYR 55 HE2 TYR 55 8.207 14.746 0.222 279 HH TYR 55 HH TYR 55 7.196 17.815 1.780 280 H LEU 56 H LEU 56 7.731 14.873 -6.646 281 HA LEU 56 HA LEU 56 9.098 16.309 -8.734 282 HB2 LEU 56 HB2 LEU 56 9.279 13.889 -7.970 283 HB3 LEU 56 HB3 LEU 56 7.842 13.548 -8.928 284 HG LEU 56 HG LEU 56 10.403 14.780 -10.060 285 HD11 LEU 56 HD11 LEU 56 11.006 12.666 -9.039 286 HD12 LEU 56 HD12 LEU 56 9.607 11.856 -9.768 287 HD13 LEU 56 HD13 LEU 56 10.938 12.433 -10.790 288 HD21 LEU 56 HD21 LEU 56 8.056 13.327 -11.355 289 HD22 LEU 56 HD22 LEU 56 8.562 15.013 -11.605 290 HD23 LEU 56 HD23 LEU 56 9.579 13.701 -12.187 291 H GLY 57 H GLY 57 5.650 15.255 -8.405 292 HA2 GLY 57 HA2 GLY 57 4.652 16.146 -10.899 293 HA3 GLY 57 HA3 GLY 57 3.767 16.133 -9.373 294 H GLN 58 H GLN 58 4.986 18.032 -7.821 295 HA GLN 58 HA GLN 58 4.266 20.494 -9.146 296 HB2 GLN 58 HB2 GLN 58 4.708 21.665 -7.145 297 HB3 GLN 58 HB3 GLN 58 3.801 20.188 -6.821 298 HG2 GLN 58 HG2 GLN 58 5.947 19.111 -6.105 299 HG3 GLN 58 HG3 GLN 58 6.763 20.668 -6.286 300 HE21 GLN 58 HE22 GLN 58 7.315 20.586 -3.954 301 HE22 GLN 58 HE21 GLN 58 6.055 20.797 -2.753 302 H TYR 59 H TYR 59 7.486 18.968 -8.660 303 HA TYR 59 HA TYR 59 9.057 21.136 -9.627 304 HB2 TYR 59 HB2 TYR 59 9.935 18.924 -8.771 305 HB3 TYR 59 HB3 TYR 59 9.459 18.186 -10.279 306 HD1 TYR 59 HD2 TYR 59 10.451 19.261 -12.517 307 HD2 TYR 59 HD1 TYR 59 12.162 19.686 -8.568 308 HE1 TYR 59 HE2 TYR 59 12.670 19.731 -13.518 309 HE2 TYR 59 HE1 TYR 59 14.358 20.187 -9.594 310 HH TYR 59 HH TYR 59 15.596 20.281 -11.520 311 H ILE 60 H ILE 60 7.402 18.545 -11.527 312 HA ILE 60 HA ILE 60 7.995 19.558 -14.131 313 HB ILE 60 HB ILE 60 5.547 18.032 -13.159 314 HG12 ILE 60 HG12 ILE 60 7.901 16.822 -14.646 315 HG13 ILE 60 HG13 ILE 60 7.935 16.968 -12.903 316 HG21 ILE 60 HG21 ILE 60 5.358 17.316 -15.590 317 HG22 ILE 60 HG22 ILE 60 4.996 19.007 -15.301 318 HG23 ILE 60 HG23 ILE 60 6.574 18.546 -15.984 319 HD11 ILE 60 HD11 ILE 60 5.826 15.443 -14.488 320 HD12 ILE 60 HD12 ILE 60 7.076 14.779 -13.426 321 HD13 ILE 60 HD13 ILE 60 5.760 15.736 -12.741 322 H MET 61 H MET 61 5.160 20.253 -11.994 323 HA MET 61 HA MET 61 3.953 22.029 -13.879 324 HB2 MET 61 HB2 MET 61 2.782 20.862 -12.081 325 HB3 MET 61 HB3 MET 61 3.574 21.878 -10.868 326 HG2 MET 61 HG2 MET 61 2.438 23.823 -11.565 327 HG3 MET 61 HG3 MET 61 2.012 23.146 -13.136 328 HE1 MET 61 HE1 MET 61 -0.084 21.996 -13.746 329 HE2 MET 61 HE2 MET 61 0.561 20.548 -12.942 330 HE3 MET 61 HE3 MET 61 -1.107 21.074 -12.630 331 H VAL 62 H VAL 62 6.405 22.722 -11.383 332 HA VAL 62 HA VAL 62 6.346 25.612 -11.766 333 HB VAL 62 HB VAL 62 8.305 23.760 -10.469 334 HG11 VAL 62 HG11 VAL 62 9.397 25.789 -9.508 335 HG12 VAL 62 HG12 VAL 62 9.655 25.652 -11.245 336 HG13 VAL 62 HG13 VAL 62 8.447 26.800 -10.619 337 HG21 VAL 62 HG21 VAL 62 6.112 24.180 -9.320 338 HG22 VAL 62 HG22 VAL 62 7.495 24.792 -8.404 339 HG23 VAL 62 HG23 VAL 62 6.471 25.913 -9.331 340 H LYS 63 H LYS 63 8.599 23.048 -12.912 341 HA LYS 63 HA LYS 63 10.055 24.816 -14.701 342 HB2 LYS 63 HB2 LYS 63 10.104 21.939 -13.973 343 HB3 LYS 63 HB3 LYS 63 10.348 22.185 -15.684 344 HG2 LYS 63 HG2 LYS 63 12.481 22.153 -14.675 345 HG3 LYS 63 HG3 LYS 63 12.171 23.809 -15.207 346 HD2 LYS 63 HD2 LYS 63 11.499 24.360 -12.819 347 HD3 LYS 63 HD3 LYS 63 12.013 22.739 -12.344 348 HE2 LYS 63 HE2 LYS 63 13.775 24.852 -13.689 349 HE3 LYS 63 HE3 LYS 63 13.714 24.560 -11.951 350 HZ1 LYS 63 HZ1 LYS 63 15.586 23.399 -12.941 351 HZ2 LYS 63 HZ2 LYS 63 14.540 22.284 -12.378 352 HZ3 LYS 63 HZ3 LYS 63 14.647 22.569 -13.985 353 H GLN 64 H GLN 64 7.013 23.281 -15.049 354 HA GLN 64 HA GLN 64 5.538 23.043 -16.688 355 HB2 GLN 64 HB2 GLN 64 4.839 25.095 -17.775 356 HB3 GLN 64 HB3 GLN 64 5.188 25.269 -16.066 357 HG2 GLN 64 HG2 GLN 64 7.514 26.199 -16.831 358 HG3 GLN 64 HG3 GLN 64 6.770 26.348 -18.420 359 HE21 GLN 64 HE21 GLN 64 6.641 27.369 -14.988 360 HE22 GLN 64 HE22 GLN 64 5.710 28.835 -15.294 361 H LEU 65 H LEU 65 7.563 21.585 -17.304 362 HA LEU 65 HA LEU 65 8.392 22.086 -20.078 363 HB2 LEU 65 HB2 LEU 65 9.966 21.816 -18.127 364 HB3 LEU 65 HB3 LEU 65 9.520 20.118 -18.055 365 HG LEU 65 HG LEU 65 10.588 19.710 -20.216 366 HD11 LEU 65 HD11 LEU 65 10.048 21.700 -21.495 367 HD12 LEU 65 HD12 LEU 65 10.997 22.719 -20.384 368 HD13 LEU 65 HD13 LEU 65 11.801 21.523 -21.426 369 HD21 LEU 65 HD21 LEU 65 12.342 21.593 -18.583 370 HD22 LEU 65 HD22 LEU 65 11.997 19.914 -18.142 371 HD23 LEU 65 HD23 LEU 65 12.885 20.277 -19.643 372 H TYR 66 H TYR 66 5.738 21.023 -19.397 373 HA TYR 66 HA TYR 66 5.655 18.409 -20.790 374 HB2 TYR 66 HB2 TYR 66 3.186 18.633 -20.320 375 HB3 TYR 66 HB3 TYR 66 4.221 18.482 -18.915 376 HD1 TYR 66 HD1 TYR 66 2.335 20.987 -20.974 377 HD2 TYR 66 HD2 TYR 66 4.272 20.142 -17.217 378 HE1 TYR 66 HE1 TYR 66 1.412 23.100 -20.018 379 HE2 TYR 66 HE2 TYR 66 3.312 22.230 -16.248 380 HH TYR 66 HH TYR 66 2.008 24.100 -16.628 381 H ASP 67 H ASP 67 4.056 18.217 -22.633 382 HA ASP 67 HA ASP 67 4.707 20.286 -24.587 383 HB2 ASP 67 HB2 ASP 67 4.537 17.766 -25.013 384 HB3 ASP 67 HB3 ASP 67 2.792 18.009 -25.059 385 H GLN 68 H GLN 68 3.530 21.932 -25.268 386 HA GLN 68 HA GLN 68 1.183 22.980 -24.156 387 HB2 GLN 68 HB2 GLN 68 1.837 23.387 -27.090 388 HB3 GLN 68 HB3 GLN 68 1.169 24.507 -25.925 389 HG2 GLN 68 HG2 GLN 68 3.223 25.387 -25.923 390 HG3 GLN 68 HG3 GLN 68 3.622 24.123 -24.780 391 HE21 GLN 68 HE22 GLN 68 3.772 21.848 -26.999 392 HE22 GLN 68 HE21 GLN 68 5.246 22.337 -27.790 393 H GLN 69 H GLN 69 1.501 20.617 -26.802 394 HA GLN 69 HA GLN 69 -1.359 20.669 -27.531 395 HB2 GLN 69 HB2 GLN 69 1.074 19.080 -28.435 396 HB3 GLN 69 HB3 GLN 69 -0.551 18.645 -28.922 397 HG2 GLN 69 HG2 GLN 69 0.481 19.939 -30.661 398 HG3 GLN 69 HG3 GLN 69 -0.918 20.782 -30.004 399 HE21 GLN 69 HE22 GLN 69 2.631 20.680 -29.057 400 HE22 GLN 69 HE21 GLN 69 2.810 22.418 -29.250 401 H GLU 70 H GLU 70 0.710 18.857 -25.364 402 HA GLU 70 HA GLU 70 -1.573 17.331 -24.352 403 HB2 GLU 70 HB2 GLU 70 -0.211 15.158 -24.480 404 HB3 GLU 70 HB3 GLU 70 -1.178 15.685 -25.850 405 HG2 GLU 70 HG2 GLU 70 0.861 16.566 -26.986 406 HG3 GLU 70 HG3 GLU 70 1.843 16.003 -25.635 407 H GLN 71 H GLN 71 -1.323 18.428 -22.516 408 HA GLN 71 HA GLN 71 0.949 18.710 -20.883 409 HB2 GLN 71 HB2 GLN 71 -2.013 18.413 -20.218 410 HB3 GLN 71 HB3 GLN 71 -0.787 18.845 -19.037 411 HG2 GLN 71 HG2 GLN 71 -1.828 20.881 -19.720 412 HG3 GLN 71 HG3 GLN 71 -0.192 20.864 -20.351 413 HE21 GLN 71 HE22 GLN 71 -0.792 22.511 -21.936 414 HE22 GLN 71 HE21 GLN 71 -1.672 22.017 -23.375 415 H HIS 72 H HIS 72 -0.821 15.811 -21.588 416 HA HIS 72 HA HIS 72 -0.165 14.307 -19.268 417 HB2 HIS 72 HB2 HIS 72 -1.433 12.735 -20.250 418 HB3 HIS 72 HB3 HIS 72 -1.751 13.894 -21.511 419 HD2 HIS 72 HD2 HIS 72 0.113 10.646 -20.800 420 HE1 HIS 72 HE1 HIS 72 1.131 11.644 -24.814 421 HE2 HIS 72 HE2 HIS 72 1.276 9.840 -23.029 422 H MET 73 H MET 73 1.729 15.207 -22.054 423 HA MET 73 HA MET 73 3.817 13.168 -21.563 424 HB2 MET 73 HB2 MET 73 2.934 13.455 -23.848 425 HB3 MET 73 HB3 MET 73 3.430 15.152 -23.834 426 HG2 MET 73 HG2 MET 73 5.033 13.791 -25.055 427 HG3 MET 73 HG3 MET 73 5.785 14.485 -23.623 428 HE1 MET 73 HE1 MET 73 7.813 12.943 -23.830 429 HE2 MET 73 HE2 MET 73 7.757 11.168 -23.954 430 HE3 MET 73 HE3 MET 73 7.155 12.173 -25.292 431 H VAL 74 H VAL 74 5.810 13.674 -20.748 432 HA VAL 74 HA VAL 74 6.349 16.517 -19.969 433 HB VAL 74 HB VAL 74 6.839 14.000 -18.336 434 HG11 VAL 74 HG11 VAL 74 7.352 15.626 -16.530 435 HG12 VAL 74 HG12 VAL 74 8.516 15.702 -17.842 436 HG13 VAL 74 HG13 VAL 74 7.259 16.955 -17.709 437 HG21 VAL 74 HG21 VAL 74 5.114 14.920 -16.811 438 HG22 VAL 74 HG22 VAL 74 4.775 16.220 -17.976 439 HG23 VAL 74 HG23 VAL 74 4.430 14.526 -18.384 440 H TYR 75 H TYR 75 8.292 17.297 -20.473 441 HA TYR 75 HA TYR 75 10.503 15.475 -21.272 442 HB2 TYR 75 HB2 TYR 75 9.923 18.345 -22.052 443 HB3 TYR 75 HB3 TYR 75 11.406 17.478 -22.434 444 HD1 TYR 75 HD2 TYR 75 11.244 15.226 -23.609 445 HD2 TYR 75 HD1 TYR 75 7.986 18.049 -23.472 446 HE1 TYR 75 HE2 TYR 75 10.109 13.993 -25.420 447 HE2 TYR 75 HE1 TYR 75 6.877 16.858 -25.358 448 HH TYR 75 HH TYR 75 6.993 15.103 -26.854 449 H CYS 76 H CYS 76 12.639 16.158 -20.671 450 HA CYS 76 HA CYS 76 13.053 18.010 -18.362 451 HB2 CYS 76 HB2 CYS 76 13.658 15.050 -18.491 452 HB3 CYS 76 HB3 CYS 76 14.537 16.130 -17.407 453 HG CYS 76 HG CYS 76 11.259 16.252 -17.520 454 H GLY 77 H GLY 77 13.699 18.213 -21.241 455 HA2 GLY 77 HA2 GLY 77 16.160 17.195 -21.970 456 HA3 GLY 77 HA3 GLY 77 15.451 18.648 -22.674 457 H GLY 78 H GLY 78 18.091 17.410 -21.121 458 HA2 GLY 78 HA2 GLY 78 20.055 18.296 -20.370 459 HA3 GLY 78 HA3 GLY 78 19.484 19.896 -20.842 460 H ASP 79 H ASP 79 17.384 18.303 -18.453 461 HA ASP 79 HA ASP 79 18.451 20.235 -16.480 462 HB2 ASP 79 HB2 ASP 79 15.983 20.156 -17.409 463 HB3 ASP 79 HB3 ASP 79 15.781 18.894 -16.196 464 H LEU 80 H LEU 80 18.377 19.677 -14.249 465 HA LEU 80 HA LEU 80 19.913 17.328 -13.684 466 HB2 LEU 80 HB2 LEU 80 18.633 19.529 -12.063 467 HB3 LEU 80 HB3 LEU 80 19.207 18.097 -11.252 468 HG LEU 80 HG LEU 80 20.832 19.898 -11.171 469 HD11 LEU 80 HD11 LEU 80 22.805 18.620 -11.716 470 HD12 LEU 80 HD12 LEU 80 21.576 17.532 -11.054 471 HD13 LEU 80 HD13 LEU 80 21.896 17.558 -12.802 472 HD21 LEU 80 HD21 LEU 80 21.201 19.532 -14.169 473 HD22 LEU 80 HD22 LEU 80 20.411 20.924 -13.391 474 HD23 LEU 80 HD23 LEU 80 22.126 20.596 -13.093 475 H LEU 81 H LEU 81 16.439 17.877 -13.619 476 HA LEU 81 HA LEU 81 15.773 15.439 -12.212 477 HB2 LEU 81 HB2 LEU 81 14.209 17.341 -12.478 478 HB3 LEU 81 HB3 LEU 81 14.156 17.059 -14.224 479 HG LEU 81 HG LEU 81 13.115 14.831 -13.830 480 HD11 LEU 81 HD11 LEU 81 14.049 14.265 -11.617 481 HD12 LEU 81 HD12 LEU 81 13.165 15.617 -10.878 482 HD13 LEU 81 HD13 LEU 81 12.292 14.232 -11.573 483 HD21 LEU 81 HD21 LEU 81 11.697 16.929 -13.992 484 HD22 LEU 81 HD22 LEU 81 10.945 15.563 -13.155 485 HD23 LEU 81 HD23 LEU 81 11.612 16.910 -12.217 486 H GLY 82 H GLY 82 16.400 16.177 -15.642 487 HA2 GLY 82 HA2 GLY 82 15.714 13.551 -16.702 488 HA3 GLY 82 HA3 GLY 82 16.719 14.793 -17.472 489 H GLU 83 H GLU 83 18.765 15.097 -15.473 490 HA GLU 83 HA GLU 83 20.457 12.828 -15.892 491 HB2 GLU 83 HB2 GLU 83 21.360 15.000 -15.651 492 HB3 GLU 83 HB3 GLU 83 20.403 15.326 -14.220 493 HG2 GLU 83 HG2 GLU 83 22.660 15.100 -13.605 494 HG3 GLU 83 HG3 GLU 83 21.662 13.846 -12.879 495 H LEU 84 H LEU 84 18.353 13.784 -13.131 496 HA LEU 84 HA LEU 84 19.141 11.706 -11.373 497 HB2 LEU 84 HB2 LEU 84 17.957 13.756 -10.690 498 HB3 LEU 84 HB3 LEU 84 16.530 13.255 -11.586 499 HG LEU 84 HG LEU 84 16.231 11.316 -10.058 500 HD11 LEU 84 HD11 LEU 84 17.468 11.246 -7.930 501 HD12 LEU 84 HD12 LEU 84 18.573 11.010 -9.288 502 HD13 LEU 84 HD13 LEU 84 18.495 12.588 -8.467 503 HD21 LEU 84 HD21 LEU 84 16.449 14.027 -8.679 504 HD22 LEU 84 HD22 LEU 84 15.065 13.435 -9.625 505 HD23 LEU 84 HD23 LEU 84 15.499 12.636 -8.110 506 H LEU 85 H LEU 85 16.447 11.820 -13.738 507 HA LEU 85 HA LEU 85 15.607 9.069 -13.137 508 HB2 LEU 85 HB2 LEU 85 14.676 11.275 -14.968 509 HB3 LEU 85 HB3 LEU 85 14.228 9.624 -15.358 510 HG LEU 85 HG LEU 85 13.156 9.295 -13.194 511 HD11 LEU 85 HD11 LEU 85 12.714 11.212 -11.691 512 HD12 LEU 85 HD12 LEU 85 14.429 10.808 -11.732 513 HD13 LEU 85 HD13 LEU 85 13.827 12.211 -12.651 514 HD21 LEU 85 HD21 LEU 85 11.267 10.859 -13.550 515 HD22 LEU 85 HD22 LEU 85 12.292 11.851 -14.604 516 HD23 LEU 85 HD23 LEU 85 11.854 10.198 -15.085 517 H GLY 86 H GLY 86 17.879 10.464 -15.412 518 HA2 GLY 86 HA2 GLY 86 19.483 9.285 -16.638 519 HA3 GLY 86 HA3 GLY 86 18.611 7.771 -16.390 520 H ARG 87 H ARG 87 16.347 9.981 -17.380 521 HA ARG 87 HA ARG 87 16.966 10.159 -20.214 522 HB2 ARG 87 HB2 ARG 87 14.675 9.321 -20.928 523 HB3 ARG 87 HB3 ARG 87 15.855 8.124 -20.519 524 HG2 ARG 87 HG2 ARG 87 14.791 7.775 -18.295 525 HG3 ARG 87 HG3 ARG 87 13.570 8.998 -18.696 526 HD2 ARG 87 HD2 ARG 87 14.115 6.460 -20.299 527 HD3 ARG 87 HD3 ARG 87 12.846 6.612 -19.084 528 HE ARG 87 HE ARG 87 12.040 8.611 -20.561 529 HH11 ARG 87 HH11 ARG 87 13.089 5.508 -21.805 530 HH12 ARG 87 HH12 ARG 87 12.288 5.755 -23.332 531 HH21 ARG 87 HH21 ARG 87 11.235 8.955 -22.594 532 HH22 ARG 87 HH22 ARG 87 11.205 7.637 -23.731 533 H GLN 88 H GLN 88 15.685 11.557 -21.378 534 HA GLN 88 HA GLN 88 14.734 13.763 -19.670 535 HB2 GLN 88 HB2 GLN 88 15.773 13.786 -22.529 536 HB3 GLN 88 HB3 GLN 88 15.258 15.188 -21.586 537 HG2 GLN 88 HG2 GLN 88 17.440 15.272 -20.962 538 HG3 GLN 88 HG3 GLN 88 16.848 14.144 -19.739 539 HE21 GLN 88 HE22 GLN 88 19.528 14.073 -20.068 540 HE22 GLN 88 HE21 GLN 88 19.995 12.667 -21.012 541 H SER 89 H SER 89 13.105 11.437 -20.681 542 HA SER 89 HA SER 89 10.716 13.136 -20.724 543 HB2 SER 89 HB2 SER 89 9.648 12.361 -22.700 544 HB3 SER 89 HB3 SER 89 11.243 12.971 -23.142 545 HG SER 89 HG SER 89 10.940 10.982 -24.170 546 H PHE 90 H PHE 90 8.749 12.217 -20.260 547 HA PHE 90 HA PHE 90 8.208 9.408 -20.075 548 HB2 PHE 90 HB2 PHE 90 7.765 9.325 -17.625 549 HB3 PHE 90 HB3 PHE 90 9.458 9.469 -18.016 550 HD1 PHE 90 HD1 PHE 90 6.556 11.205 -16.526 551 HD2 PHE 90 HD2 PHE 90 10.762 11.454 -17.459 552 HE1 PHE 90 HE1 PHE 90 6.788 13.135 -14.998 553 HE2 PHE 90 HE2 PHE 90 10.986 13.390 -15.925 554 HZ PHE 90 HZ PHE 90 9.018 14.220 -14.671 555 H SER 91 H SER 91 5.853 9.253 -18.820 556 HA SER 91 HA SER 91 4.305 11.749 -19.208 557 HB2 SER 91 HB2 SER 91 2.812 10.887 -20.777 558 HB3 SER 91 HB3 SER 91 4.383 10.363 -21.386 559 HG SER 91 HG SER 91 3.223 8.526 -21.423 560 H VAL 92 H VAL 92 1.983 11.470 -18.507 561 HA VAL 92 HA VAL 92 1.828 9.970 -16.006 562 HB VAL 92 HB VAL 92 -0.422 10.800 -15.761 563 HG11 VAL 92 HG11 VAL 92 0.058 13.171 -15.657 564 HG12 VAL 92 HG12 VAL 92 1.501 12.258 -15.187 565 HG13 VAL 92 HG13 VAL 92 1.405 13.010 -16.796 566 HG21 VAL 92 HG21 VAL 92 -0.107 11.952 -18.557 567 HG22 VAL 92 HG22 VAL 92 -1.248 10.678 -18.073 568 HG23 VAL 92 HG23 VAL 92 -1.432 12.318 -17.434 569 H LYS 93 H LYS 93 1.521 8.896 -19.159 570 HA LYS 93 HA LYS 93 -0.237 6.580 -18.431 571 HB2 LYS 93 HB2 LYS 93 0.885 7.513 -21.103 572 HB3 LYS 93 HB3 LYS 93 0.005 6.002 -20.856 573 HG2 LYS 93 HG2 LYS 93 -1.986 7.239 -20.084 574 HG3 LYS 93 HG3 LYS 93 -1.135 8.776 -20.301 575 HD2 LYS 93 HD2 LYS 93 -0.860 8.251 -22.738 576 HD3 LYS 93 HD3 LYS 93 -1.783 6.754 -22.494 577 HE2 LYS 93 HE2 LYS 93 -3.726 8.092 -21.698 578 HE3 LYS 93 HE3 LYS 93 -2.805 9.582 -21.944 579 HZ1 LYS 93 HZ1 LYS 93 -2.703 9.047 -24.328 580 HZ2 LYS 93 HZ2 LYS 93 -3.549 7.666 -24.100 581 HZ3 LYS 93 HZ3 LYS 93 -4.258 9.111 -23.840 582 H ASP 94 H ASP 94 3.086 7.465 -19.138 583 HA ASP 94 HA ASP 94 4.003 4.734 -18.330 584 HB2 ASP 94 HB2 ASP 94 5.083 6.519 -20.535 585 HB3 ASP 94 HB3 ASP 94 5.924 5.109 -19.891 586 HA PRO 95 HA PRO 95 6.009 7.847 -15.499 587 HB2 PRO 95 HB2 PRO 95 5.042 7.034 -13.105 588 HB3 PRO 95 HB3 PRO 95 4.059 8.026 -14.225 589 HG2 PRO 95 HG2 PRO 95 4.041 4.988 -13.951 590 HG3 PRO 95 HG3 PRO 95 2.636 6.095 -13.848 591 HD2 PRO 95 HD2 PRO 95 3.305 4.843 -16.166 592 HD3 PRO 95 HD3 PRO 95 2.694 6.526 -16.164 593 H SER 96 H SER 96 6.232 4.614 -16.248 594 HA SER 96 HA SER 96 7.539 3.198 -14.367 595 HB2 SER 96 HB2 SER 96 8.411 3.195 -17.269 596 HB3 SER 96 HB3 SER 96 8.427 1.848 -16.124 597 HG SER 96 HG SER 96 6.118 1.950 -16.093 598 HA PRO 97 HA PRO 97 11.912 4.993 -15.417 599 HB2 PRO 97 HB2 PRO 97 11.109 7.886 -15.792 600 HB3 PRO 97 HB3 PRO 97 12.534 7.013 -16.448 601 HG2 PRO 97 HG2 PRO 97 10.417 7.387 -18.059 602 HG3 PRO 97 HG3 PRO 97 11.116 5.737 -17.956 603 HD2 PRO 97 HD2 PRO 97 8.737 6.839 -16.438 604 HD3 PRO 97 HD3 PRO 97 8.841 5.345 -17.416 605 H LEU 98 H LEU 98 9.420 6.709 -13.526 606 HA LEU 98 HA LEU 98 11.238 7.521 -11.360 607 HB2 LEU 98 HB2 LEU 98 8.199 7.205 -11.514 608 HB3 LEU 98 HB3 LEU 98 9.073 7.680 -10.073 609 HG LEU 98 HG LEU 98 9.953 9.697 -11.299 610 HD11 LEU 98 HD11 LEU 98 7.828 8.912 -13.349 611 HD12 LEU 98 HD12 LEU 98 8.610 10.501 -13.244 612 HD13 LEU 98 HD13 LEU 98 9.571 9.086 -13.658 613 HD21 LEU 98 HD21 LEU 98 8.057 9.756 -9.709 614 HD22 LEU 98 HD22 LEU 98 7.821 10.912 -11.026 615 HD23 LEU 98 HD23 LEU 98 6.930 9.377 -11.031 616 H TYR 99 H TYR 99 8.956 4.818 -11.943 617 HA TYR 99 HA TYR 99 9.495 3.537 -9.447 618 HB2 TYR 99 HB2 TYR 99 8.334 2.454 -12.046 619 HB3 TYR 99 HB3 TYR 99 8.399 1.556 -10.538 620 HD1 TYR 99 HD1 TYR 99 7.198 2.412 -8.487 621 HD2 TYR 99 HD2 TYR 99 6.556 4.076 -12.417 622 HE1 TYR 99 HE1 TYR 99 5.044 3.397 -7.725 623 HE2 TYR 99 HE2 TYR 99 4.423 5.082 -11.639 624 HH TYR 99 HH TYR 99 2.942 5.331 -9.891 625 H ASP 100 H ASP 100 11.086 3.192 -12.635 626 HA ASP 100 HA ASP 100 12.818 1.050 -11.862 627 HB2 ASP 100 HB2 ASP 100 12.375 1.928 -14.183 628 HB3 ASP 100 HB3 ASP 100 13.374 3.325 -13.811 629 H MET 101 H MET 101 13.006 4.523 -11.384 630 HA MET 101 HA MET 101 15.639 4.637 -10.178 631 HB2 MET 101 HB2 MET 101 15.165 6.757 -10.681 632 HB3 MET 101 HB3 MET 101 13.454 6.433 -10.835 633 HG2 MET 101 HG2 MET 101 13.289 6.623 -8.308 634 HG3 MET 101 HG3 MET 101 14.913 7.307 -8.349 635 HE1 MET 101 HE1 MET 101 11.186 9.623 -8.379 636 HE2 MET 101 HE2 MET 101 11.156 7.850 -8.566 637 HE3 MET 101 HE3 MET 101 12.046 8.600 -7.217 638 H LEU 102 H LEU 102 12.378 4.055 -8.876 639 HA LEU 102 HA LEU 102 13.285 4.032 -6.104 640 HB2 LEU 102 HB2 LEU 102 10.631 3.471 -7.471 641 HB3 LEU 102 HB3 LEU 102 10.833 3.391 -5.725 642 HG LEU 102 HG LEU 102 11.613 5.902 -7.237 643 HD11 LEU 102 HD11 LEU 102 9.339 5.537 -7.892 644 HD12 LEU 102 HD12 LEU 102 8.874 5.104 -6.244 645 HD13 LEU 102 HD13 LEU 102 9.345 6.781 -6.634 646 HD21 LEU 102 HD21 LEU 102 10.621 5.520 -4.389 647 HD22 LEU 102 HD22 LEU 102 12.339 5.556 -4.836 648 HD23 LEU 102 HD23 LEU 102 11.340 6.974 -5.115 649 H ARG 103 H ARG 103 12.264 1.438 -8.361 650 HA ARG 103 HA ARG 103 12.168 -0.699 -6.548 651 HB2 ARG 103 HB2 ARG 103 12.300 -2.152 -8.466 652 HB3 ARG 103 HB3 ARG 103 11.363 -0.717 -8.865 653 HG2 ARG 103 HG2 ARG 103 12.527 -1.002 -10.771 654 HG3 ARG 103 HG3 ARG 103 13.517 0.191 -9.937 655 HD2 ARG 103 HD2 ARG 103 15.163 -1.554 -9.360 656 HD3 ARG 103 HD3 ARG 103 14.100 -2.792 -10.067 657 HE ARG 103 HE ARG 103 14.608 -0.779 -12.037 658 HH11 ARG 103 HH11 ARG 103 16.452 -3.345 -10.480 659 HH12 ARG 103 HH12 ARG 103 17.530 -3.464 -11.845 660 HH21 ARG 103 HH21 ARG 103 15.888 -0.973 -13.614 661 HH22 ARG 103 HH22 ARG 103 17.226 -2.128 -13.642 662 H LYS 104 H LYS 104 14.925 0.764 -7.929 663 HA LYS 104 HA LYS 104 16.973 -1.144 -7.175 664 HB2 LYS 104 HB2 LYS 104 17.143 0.485 -9.005 665 HB3 LYS 104 HB3 LYS 104 17.034 1.826 -7.853 666 HG2 LYS 104 HG2 LYS 104 19.198 1.301 -6.919 667 HG3 LYS 104 HG3 LYS 104 19.266 -0.246 -7.780 668 HD2 LYS 104 HD2 LYS 104 20.701 1.503 -8.801 669 HD3 LYS 104 HD3 LYS 104 19.490 0.859 -9.918 670 HE2 LYS 104 HE2 LYS 104 18.063 2.830 -9.595 671 HE3 LYS 104 HE3 LYS 104 19.157 3.462 -8.357 672 HZ1 LYS 104 HZ1 LYS 104 20.889 3.652 -10.079 673 HZ2 LYS 104 HZ2 LYS 104 19.880 3.069 -11.224 674 HZ3 LYS 104 HZ3 LYS 104 19.575 4.510 -10.520 675 H ASN 105 H ASN 105 15.344 1.438 -5.417 676 HA ASN 105 HA ASN 105 17.294 1.199 -3.148 677 HB2 ASN 105 HB2 ASN 105 15.349 3.343 -3.980 678 HB3 ASN 105 HB3 ASN 105 16.142 3.293 -2.393 679 HD21 ASN 105 HD22 ASN 105 18.500 3.474 -2.279 680 HD22 ASN 105 HD21 ASN 105 19.358 4.195 -3.629 681 H LEU 106 H LEU 106 13.703 1.035 -3.672 682 HA LEU 106 HA LEU 106 13.633 -0.770 -1.311 683 HB2 LEU 106 HB2 LEU 106 11.539 0.048 -0.589 684 HB3 LEU 106 HB3 LEU 106 12.678 1.376 -0.591 685 HG LEU 106 HG LEU 106 10.750 1.003 -2.926 686 HD11 LEU 106 HD11 LEU 106 9.142 2.446 -1.782 687 HD12 LEU 106 HD12 LEU 106 9.377 0.929 -0.907 688 HD13 LEU 106 HD13 LEU 106 10.136 2.413 -0.308 689 HD21 LEU 106 HD21 LEU 106 12.489 2.739 -3.212 690 HD22 LEU 106 HD22 LEU 106 10.895 3.469 -3.040 691 HD23 LEU 106 HD23 LEU 106 12.025 3.477 -1.667 692 H VAL 107 H VAL 107 12.243 -2.534 -1.416 693 HA VAL 107 HA VAL 107 11.371 -3.389 -4.100 694 HB VAL 107 HB VAL 107 10.964 -4.720 -1.393 695 HG11 VAL 107 HG11 VAL 107 10.467 -6.743 -2.750 696 HG12 VAL 107 HG12 VAL 107 9.274 -5.476 -3.034 697 HG13 VAL 107 HG13 VAL 107 10.553 -5.771 -4.235 698 HG21 VAL 107 HG21 VAL 107 12.743 -6.266 -2.172 699 HG22 VAL 107 HG22 VAL 107 12.979 -5.265 -3.622 700 HG23 VAL 107 HG23 VAL 107 13.354 -4.618 -2.010 701 H THR 108 H THR 108 9.558 -2.601 -4.968 702 HA THR 108 HA THR 108 7.101 -2.239 -3.391 703 HB THR 108 HB THR 108 8.414 -0.184 -3.009 704 HG1 THR 108 HG1 THR 108 6.671 1.113 -3.264 705 HG21 THR 108 HG21 THR 108 8.642 1.521 -4.726 706 HG22 THR 108 HG22 THR 108 9.525 0.071 -5.222 707 HG23 THR 108 HG23 THR 108 7.947 0.443 -5.951 708 H LEU 109 H LEU 109 5.450 -1.101 -4.822 709 HA LEU 109 HA LEU 109 5.073 -2.802 -7.236 710 HB2 LEU 109 HB2 LEU 109 3.166 -0.906 -5.811 711 HB3 LEU 109 HB3 LEU 109 2.746 -1.944 -7.169 712 HG LEU 109 HG LEU 109 3.601 -2.906 -4.401 713 HD11 LEU 109 HD11 LEU 109 1.349 -1.899 -4.476 714 HD12 LEU 109 HD12 LEU 109 0.903 -2.982 -5.815 715 HD13 LEU 109 HD13 LEU 109 1.271 -3.648 -4.207 716 HD21 LEU 109 HD21 LEU 109 4.292 -4.557 -6.080 717 HD22 LEU 109 HD22 LEU 109 2.878 -5.149 -5.207 718 HD23 LEU 109 HD23 LEU 109 2.686 -4.488 -6.846 719 H ALA 110 H ALA 110 4.242 -1.879 -9.233 720 HA ALA 110 HA ALA 110 4.962 0.922 -9.844 721 HB1 ALA 110 HB1 ALA 110 6.192 -1.474 -11.268 722 HB2 ALA 110 HB2 ALA 110 6.435 0.235 -11.676 723 HB3 ALA 110 HB3 ALA 110 7.059 -0.404 -10.135 724 H THR 111 H THR 111 4.528 1.448 -12.170 725 HA THR 111 HA THR 111 2.465 -0.133 -13.535 726 HB THR 111 HB THR 111 1.384 1.065 -11.650 727 HG1 THR 111 HG1 THR 111 0.367 1.968 -14.147 728 HG21 THR 111 HG21 THR 111 2.528 3.237 -11.723 729 HG22 THR 111 HG22 THR 111 1.784 3.602 -13.296 730 HG23 THR 111 HG23 THR 111 0.774 3.415 -11.848 731 HD1 49H 200 HD1 49H 200 1.338 14.104 -13.300 732 HD2 49H 200 HD2 49H 200 2.078 12.572 -9.338 733 HD3 49H 200 HD3 49H 200 0.286 11.280 -13.031 734 HD4 49H 200 HD4 49H 200 -1.160 10.868 -8.998 735 HD5 49H 200 HD5 49H 200 -2.977 13.407 -14.380 736 HE1 49H 200 HE1 49H 200 3.589 13.384 -13.995 737 HE2 49H 200 HE2 49H 200 4.332 11.852 -10.057 738 HE4 49H 200 HE4 49H 200 -0.456 8.495 -8.990 739 HE5 49H 200 HE5 49H 200 -3.534 14.330 -16.583 740 HE6 49H 200 HE6 49H 200 -0.694 17.465 -16.045 741 HZ2 49H 200 HZ2 49H 200 0.633 7.514 -10.999 742 HM11 49H 200 HM11 49H 200 -2.992 18.467 -17.153 743 HM12 49H 200 HM12 49H 200 -3.680 17.864 -18.688 744 HM13 49H 200 HM13 49H 200 -4.360 17.316 -17.134 745 HM21 49H 200 HM21 49H 200 2.926 17.050 -15.741 746 HM22 49H 200 HM22 49H 200 2.568 15.623 -14.760 747 HM23 49H 200 HM23 49H 200 1.487 16.093 -16.080 748 HM31 49H 200 HM31 49H 200 2.648 16.978 -12.611 749 HM32 49H 200 HM32 49H 200 3.046 18.447 -13.522 750 HM33 49H 200 HM33 49H 200 1.653 18.429 -12.432 751 HN1 49H 200 HN1 49H 200 -4.534 19.320 -10.398 752 H21 49H 200 H21 49H 200 -3.964 16.830 -9.656 753 H22 49H 200 H22 49H 200 -4.906 17.094 -11.136 754 H31 49H 200 H31 49H 200 -2.983 15.531 -11.353 755 H32 49H 200 H32 49H 200 -2.951 16.866 -12.527 756 H41 49H 200 H41 49H 200 -0.643 18.914 -11.351 757 H42 49H 200 H42 49H 200 -0.806 18.434 -9.650 758 H7 49H 200 H7 49H 200 -1.705 12.815 -10.229 759 H8 49H 200 H8 49H 200 0.162 14.009 -9.732 760 H9 49H 200 H9 49H 200 0.927 18.238 -14.820 Start of MODEL 5 1 H1 GLN 23 H GLN 23 15.216 3.035 11.574 2 HA GLN 23 HA GLN 23 15.105 5.501 10.078 3 HB2 GLN 23 HB2 GLN 23 16.583 3.154 8.811 4 HB3 GLN 23 HB3 GLN 23 16.024 4.587 7.941 5 HG2 GLN 23 HG2 GLN 23 17.461 6.029 9.375 6 HG3 GLN 23 HG3 GLN 23 18.070 4.593 10.206 7 HE21 GLN 23 HE22 GLN 23 19.269 2.946 8.823 8 HE22 GLN 23 HE21 GLN 23 20.139 3.563 7.426 9 H ILE 24 H ILE 24 13.586 5.435 8.285 10 HA ILE 24 HA ILE 24 11.423 3.461 8.639 11 HB ILE 24 HB ILE 24 10.288 4.919 6.946 12 HG12 ILE 24 HG12 ILE 24 12.642 6.813 7.444 13 HG13 ILE 24 HG13 ILE 24 12.238 6.028 5.922 14 HG21 ILE 24 HG21 ILE 24 9.600 6.552 8.575 15 HG22 ILE 24 HG22 ILE 24 9.860 4.993 9.356 16 HG23 ILE 24 HG23 ILE 24 11.080 6.281 9.536 17 HD11 ILE 24 HD11 ILE 24 10.735 8.249 7.354 18 HD12 ILE 24 HD12 ILE 24 11.497 8.293 5.757 19 HD13 ILE 24 HD13 ILE 24 10.018 7.344 6.010 20 H ASN 25 H ASN 25 10.287 2.691 6.725 21 HA ASN 25 HA ASN 25 12.099 1.090 5.191 22 HB2 ASN 25 HB2 ASN 25 9.068 1.194 5.057 23 HB3 ASN 25 HB3 ASN 25 10.111 -0.153 4.584 24 HD21 ASN 25 HD22 ASN 25 11.725 -0.732 6.658 25 HD22 ASN 25 HD21 ASN 25 10.833 -0.871 8.164 26 H GLN 26 H GLN 26 12.427 3.679 4.447 27 HA GLN 26 HA GLN 26 11.312 4.045 1.699 28 HB2 GLN 26 HB2 GLN 26 11.746 6.358 3.592 29 HB3 GLN 26 HB3 GLN 26 10.771 6.268 2.130 30 HG2 GLN 26 HG2 GLN 26 10.162 5.071 4.832 31 HG3 GLN 26 HG3 GLN 26 9.303 6.391 4.067 32 HE21 GLN 26 HE22 GLN 26 8.110 3.883 5.063 33 HE22 GLN 26 HE21 GLN 26 7.518 3.016 3.657 34 H VAL 27 H VAL 27 12.394 6.192 0.841 35 HA VAL 27 HA VAL 27 15.278 5.540 0.550 36 HB VAL 27 HB VAL 27 14.429 5.454 -1.485 37 HG11 VAL 27 HG11 VAL 27 12.097 6.125 -1.202 38 HG12 VAL 27 HG12 VAL 27 12.580 7.826 -1.078 39 HG13 VAL 27 HG13 VAL 27 12.772 6.952 -2.597 40 HG21 VAL 27 HG21 VAL 27 16.260 6.968 -1.746 41 HG22 VAL 27 HG22 VAL 27 15.023 7.204 -2.971 42 HG23 VAL 27 HG23 VAL 27 15.132 8.353 -1.636 43 H ARG 28 H ARG 28 16.505 7.453 -0.029 44 HA ARG 28 HA ARG 28 16.115 10.037 1.047 45 HB2 ARG 28 HB2 ARG 28 16.730 9.009 3.216 46 HB3 ARG 28 HB3 ARG 28 18.178 8.292 2.504 47 HG2 ARG 28 HG2 ARG 28 19.159 10.528 2.150 48 HG3 ARG 28 HG3 ARG 28 17.669 11.290 2.722 49 HD2 ARG 28 HD2 ARG 28 19.410 11.405 4.372 50 HD3 ARG 28 HD3 ARG 28 18.038 10.478 4.963 51 HE ARG 28 HE ARG 28 20.687 9.366 4.088 52 HH11 ARG 28 HH11 ARG 28 17.735 8.816 5.959 53 HH12 ARG 28 HH12 ARG 28 18.370 7.296 6.574 54 HH21 ARG 28 HH21 ARG 28 21.343 7.410 4.990 55 HH22 ARG 28 HH22 ARG 28 20.249 6.581 6.083 56 HA PRO 29 HA PRO 29 19.200 10.213 -2.245 57 HB2 PRO 29 HB2 PRO 29 18.996 12.798 -2.935 58 HB3 PRO 29 HB3 PRO 29 17.555 11.738 -2.962 59 HG2 PRO 29 HG2 PRO 29 18.392 13.697 -0.806 60 HG3 PRO 29 HG3 PRO 29 16.795 13.501 -1.550 61 HD2 PRO 29 HD2 PRO 29 17.692 12.333 0.838 62 HD3 PRO 29 HD3 PRO 29 16.333 11.706 -0.132 63 H LYS 30 H LYS 30 21.140 11.333 -3.002 64 HA LYS 30 HA LYS 30 23.050 12.171 -0.897 65 HB2 LYS 30 HB2 LYS 30 23.535 10.596 -2.892 66 HB3 LYS 30 HB3 LYS 30 23.512 12.040 -3.909 67 HG2 LYS 30 HG2 LYS 30 25.382 12.986 -2.497 68 HG3 LYS 30 HG3 LYS 30 25.354 11.505 -1.525 69 HD2 LYS 30 HD2 LYS 30 25.908 10.179 -3.558 70 HD3 LYS 30 HD3 LYS 30 25.937 11.675 -4.519 71 HE2 LYS 30 HE2 LYS 30 27.767 12.559 -3.085 72 HE3 LYS 30 HE3 LYS 30 27.726 11.084 -2.112 73 HZ1 LYS 30 HZ1 LYS 30 28.379 9.828 -4.104 74 HZ2 LYS 30 HZ2 LYS 30 28.418 11.191 -5.006 75 HZ3 LYS 30 HZ3 LYS 30 29.482 10.986 -3.788 76 H LEU 31 H LEU 31 24.223 14.273 -1.161 77 HA LEU 31 HA LEU 31 22.538 16.440 -1.037 78 HB2 LEU 31 HB2 LEU 31 25.482 16.432 -1.792 79 HB3 LEU 31 HB3 LEU 31 24.582 17.870 -1.321 80 HG LEU 31 HG LEU 31 25.067 15.438 0.453 81 HD11 LEU 31 HD11 LEU 31 27.091 16.783 0.018 82 HD12 LEU 31 HD12 LEU 31 26.233 18.251 0.537 83 HD13 LEU 31 HD13 LEU 31 26.554 16.942 1.697 84 HD21 LEU 31 HD21 LEU 31 24.219 16.912 2.282 85 HD22 LEU 31 HD22 LEU 31 23.730 18.112 1.065 86 HD23 LEU 31 HD23 LEU 31 22.964 16.504 1.114 87 HA PRO 32 HA PRO 32 23.062 18.010 -5.510 88 HB2 PRO 32 HB2 PRO 32 23.759 16.288 -7.538 89 HB3 PRO 32 HB3 PRO 32 24.926 17.268 -6.604 90 HG2 PRO 32 HG2 PRO 32 24.158 14.371 -6.144 91 HG3 PRO 32 HG3 PRO 32 25.802 15.079 -6.249 92 HD2 PRO 32 HD2 PRO 32 24.647 14.616 -3.870 93 HD3 PRO 32 HD3 PRO 32 25.595 16.106 -4.127 94 H LEU 33 H LEU 33 21.871 14.705 -4.932 95 HA LEU 33 HA LEU 33 19.613 14.992 -6.795 96 HB2 LEU 33 HB2 LEU 33 20.474 12.898 -4.785 97 HB3 LEU 33 HB3 LEU 33 18.847 12.895 -5.461 98 HG LEU 33 HG LEU 33 19.738 12.736 -7.743 99 HD11 LEU 33 HD11 LEU 33 22.464 12.469 -6.403 100 HD12 LEU 33 HD12 LEU 33 22.111 12.052 -8.093 101 HD13 LEU 33 HD13 LEU 33 21.960 13.725 -7.566 102 HD21 LEU 33 HD21 LEU 33 20.472 10.391 -7.565 103 HD22 LEU 33 HD22 LEU 33 20.812 10.610 -5.835 104 HD23 LEU 33 HD23 LEU 33 19.144 10.715 -6.443 105 H LEU 34 H LEU 34 20.138 15.370 -3.309 106 HA LEU 34 HA LEU 34 17.452 16.097 -2.562 107 HB2 LEU 34 HB2 LEU 34 19.517 15.473 -1.135 108 HB3 LEU 34 HB3 LEU 34 20.133 17.067 -1.409 109 HG LEU 34 HG LEU 34 17.384 16.792 -0.156 110 HD11 LEU 34 HD11 LEU 34 18.818 15.227 1.117 111 HD12 LEU 34 HD12 LEU 34 20.043 16.501 1.311 112 HD13 LEU 34 HD13 LEU 34 18.444 16.669 2.069 113 HD21 LEU 34 HD21 LEU 34 19.705 18.741 0.220 114 HD22 LEU 34 HD22 LEU 34 18.216 19.057 -0.695 115 HD23 LEU 34 HD23 LEU 34 18.143 18.817 1.052 116 H LYS 35 H LYS 35 20.104 17.975 -4.016 117 HA LYS 35 HA LYS 35 19.048 20.584 -3.784 118 HB2 LYS 35 HB2 LYS 35 21.337 19.471 -4.782 119 HB3 LYS 35 HB3 LYS 35 20.515 19.780 -6.297 120 HG2 LYS 35 HG2 LYS 35 21.928 21.610 -5.854 121 HG3 LYS 35 HG3 LYS 35 20.282 22.204 -5.587 122 HD2 LYS 35 HD2 LYS 35 20.563 22.207 -3.205 123 HD3 LYS 35 HD3 LYS 35 21.972 21.126 -3.285 124 HE2 LYS 35 HE2 LYS 35 23.292 22.856 -4.408 125 HE3 LYS 35 HE3 LYS 35 21.908 23.960 -4.411 126 HZ1 LYS 35 HZ1 LYS 35 21.977 23.947 -1.965 127 HZ2 LYS 35 HZ2 LYS 35 23.259 22.929 -1.962 128 HZ3 LYS 35 HZ3 LYS 35 23.413 24.438 -2.559 129 H ILE 36 H ILE 36 18.534 18.188 -6.328 130 HA ILE 36 HA ILE 36 16.945 19.696 -8.135 131 HB ILE 36 HB ILE 36 16.856 16.710 -7.510 132 HG12 ILE 36 HG12 ILE 36 18.389 18.123 -9.730 133 HG13 ILE 36 HG13 ILE 36 19.119 17.713 -8.198 134 HG21 ILE 36 HG21 ILE 36 15.958 18.144 -10.038 135 HG22 ILE 36 HG22 ILE 36 15.935 16.394 -9.765 136 HG23 ILE 36 HG23 ILE 36 14.864 17.430 -8.833 137 HD11 ILE 36 HD11 ILE 36 18.098 15.767 -10.269 138 HD12 ILE 36 HD12 ILE 36 19.739 15.957 -9.597 139 HD13 ILE 36 HD13 ILE 36 18.449 15.294 -8.584 140 H LEU 37 H LEU 37 15.883 17.486 -5.493 141 HA LEU 37 HA LEU 37 13.137 18.359 -5.802 142 HB2 LEU 37 HB2 LEU 37 14.548 16.331 -4.066 143 HB3 LEU 37 HB3 LEU 37 12.956 16.815 -3.635 144 HG LEU 37 HG LEU 37 13.529 16.190 -6.559 145 HD11 LEU 37 HD11 LEU 37 12.764 14.041 -4.594 146 HD12 LEU 37 HD12 LEU 37 13.025 13.881 -6.337 147 HD13 LEU 37 HD13 LEU 37 14.399 14.248 -5.280 148 HD21 LEU 37 HD21 LEU 37 11.307 17.134 -5.900 149 HD22 LEU 37 HD22 LEU 37 11.179 15.499 -6.561 150 HD23 LEU 37 HD23 LEU 37 11.091 15.747 -4.806 151 H HIS 38 H HIS 38 15.716 19.546 -3.715 152 HA HIS 38 HA HIS 38 14.071 21.346 -2.168 153 HB2 HIS 38 HB2 HIS 38 16.972 21.089 -2.856 154 HB3 HIS 38 HB3 HIS 38 16.424 22.714 -2.523 155 HD2 HIS 38 HD2 HIS 38 15.025 19.667 -0.572 156 HE1 HIS 38 HE1 HIS 38 17.204 22.106 2.170 157 HE2 HIS 38 HE2 HIS 38 15.668 20.095 1.959 158 H ALA 39 H ALA 39 15.417 21.684 -5.508 159 HA ALA 39 HA ALA 39 14.578 24.343 -5.918 160 HB1 ALA 39 HB1 ALA 39 14.463 22.165 -8.037 161 HB2 ALA 39 HB2 ALA 39 14.720 23.887 -8.273 162 HB3 ALA 39 HB3 ALA 39 15.985 22.920 -7.486 163 H ALA 40 H ALA 40 12.577 21.500 -5.617 164 HA ALA 40 HA ALA 40 10.152 23.057 -6.342 165 HB1 ALA 40 HB1 ALA 40 10.456 21.108 -7.710 166 HB2 ALA 40 HB2 ALA 40 10.586 20.050 -6.277 167 HB3 ALA 40 HB3 ALA 40 9.056 20.870 -6.665 168 H GLY 41 H GLY 41 11.706 23.125 -3.727 169 HA2 GLY 41 HA2 GLY 41 11.072 23.660 -1.601 170 HA3 GLY 41 HA3 GLY 41 9.388 23.454 -2.081 171 H ALA 42 H ALA 42 11.380 20.614 -2.485 172 HA ALA 42 HA ALA 42 9.842 19.195 -0.472 173 HB1 ALA 42 HB1 ALA 42 10.750 17.259 -1.573 174 HB2 ALA 42 HB2 ALA 42 10.469 18.450 -2.856 175 HB3 ALA 42 HB3 ALA 42 12.109 18.203 -2.215 176 H GLN 43 H GLN 43 11.474 17.283 0.363 177 HA GLN 43 HA GLN 43 13.929 18.380 1.676 178 HB2 GLN 43 HB2 GLN 43 11.900 16.543 3.006 179 HB3 GLN 43 HB3 GLN 43 13.477 16.997 3.664 180 HG2 GLN 43 HG2 GLN 43 12.771 19.392 3.671 181 HG3 GLN 43 HG3 GLN 43 11.170 18.910 3.097 182 HE21 GLN 43 HE22 GLN 43 9.853 17.456 4.557 183 HE22 GLN 43 HE21 GLN 43 10.156 17.559 6.285 184 H GLY 44 H GLY 44 14.137 17.364 -0.734 185 HA2 GLY 44 HA2 GLY 44 15.411 15.914 -1.945 186 HA3 GLY 44 HA3 GLY 44 15.840 15.091 -0.442 187 H GLU 45 H GLU 45 15.164 13.103 -0.293 188 HA GLU 45 HA GLU 45 12.676 12.063 -1.500 189 HB2 GLU 45 HB2 GLU 45 15.393 10.790 -2.020 190 HB3 GLU 45 HB3 GLU 45 13.821 10.099 -2.431 191 HG2 GLU 45 HG2 GLU 45 13.372 12.002 -3.927 192 HG3 GLU 45 HG3 GLU 45 15.014 12.605 -3.626 193 H MET 46 H MET 46 13.792 12.683 1.226 194 HA MET 46 HA MET 46 14.363 10.137 2.490 195 HB2 MET 46 HB2 MET 46 15.527 12.093 2.959 196 HB3 MET 46 HB3 MET 46 14.060 12.870 3.619 197 HG2 MET 46 HG2 MET 46 14.054 11.224 5.473 198 HG3 MET 46 HG3 MET 46 15.399 10.366 4.729 199 HE1 MET 46 HE1 MET 46 15.660 14.514 6.812 200 HE2 MET 46 HE2 MET 46 14.876 14.343 5.231 201 HE3 MET 46 HE3 MET 46 14.182 13.541 6.661 202 H PHE 47 H PHE 47 12.100 9.649 1.383 203 HA PHE 47 HA PHE 47 10.047 9.123 3.368 204 HB2 PHE 47 HB2 PHE 47 8.354 10.726 2.220 205 HB3 PHE 47 HB3 PHE 47 9.461 11.317 3.419 206 HD1 PHE 47 HD1 PHE 47 9.450 10.833 -0.333 207 HD2 PHE 47 HD2 PHE 47 10.567 13.309 3.006 208 HE1 PHE 47 HE1 PHE 47 10.157 12.660 -1.899 209 HE2 PHE 47 HE2 PHE 47 11.374 15.062 1.420 210 HZ PHE 47 HZ PHE 47 11.087 14.757 -1.007 211 H THR 48 H THR 48 7.896 8.553 2.286 212 HA THR 48 HA THR 48 8.287 6.277 0.687 213 HB THR 48 HB THR 48 5.595 7.607 0.992 214 HG1 THR 48 HG1 THR 48 5.540 6.933 3.166 215 HG21 THR 48 HG21 THR 48 6.424 4.714 1.452 216 HG22 THR 48 HG22 THR 48 4.809 5.379 1.695 217 HG23 THR 48 HG23 THR 48 5.488 5.336 0.076 218 H VAL 49 H VAL 49 6.953 5.693 -1.195 219 HA VAL 49 HA VAL 49 7.717 6.986 -3.566 220 HB VAL 49 HB VAL 49 5.376 5.096 -3.135 221 HG11 VAL 49 HG11 VAL 49 5.144 6.152 -5.326 222 HG12 VAL 49 HG12 VAL 49 6.856 5.861 -5.688 223 HG13 VAL 49 HG13 VAL 49 5.725 4.502 -5.531 224 HG21 VAL 49 HG21 VAL 49 7.439 4.053 -2.384 225 HG22 VAL 49 HG22 VAL 49 7.016 3.386 -3.957 226 HG23 VAL 49 HG23 VAL 49 8.304 4.600 -3.836 227 H LYS 50 H LYS 50 4.592 7.178 -1.853 228 HA LYS 50 HA LYS 50 3.357 8.945 -3.715 229 HB2 LYS 50 HB2 LYS 50 1.648 9.310 -1.973 230 HB3 LYS 50 HB3 LYS 50 2.040 7.600 -2.156 231 HG2 LYS 50 HG2 LYS 50 3.487 7.702 -0.138 232 HG3 LYS 50 HG3 LYS 50 3.122 9.427 0.040 233 HD2 LYS 50 HD2 LYS 50 0.746 8.917 0.396 234 HD3 LYS 50 HD3 LYS 50 1.064 7.182 0.158 235 HE2 LYS 50 HE2 LYS 50 2.603 7.176 2.094 236 HE3 LYS 50 HE3 LYS 50 2.371 8.913 2.312 237 HZ1 LYS 50 HZ1 LYS 50 0.221 6.865 2.587 238 HZ2 LYS 50 HZ2 LYS 50 0.951 7.635 3.826 239 HZ3 LYS 50 HZ3 LYS 50 0.010 8.473 2.792 240 H GLU 51 H GLU 51 5.573 9.685 -1.137 241 HA GLU 51 HA GLU 51 4.991 12.573 -1.249 242 HB2 GLU 51 HB2 GLU 51 7.185 11.016 0.168 243 HB3 GLU 51 HB3 GLU 51 6.900 12.749 0.323 244 HG2 GLU 51 HG2 GLU 51 5.003 10.518 1.168 245 HG3 GLU 51 HG3 GLU 51 6.009 11.485 2.228 246 H VAL 52 H VAL 52 7.738 10.413 -2.335 247 HA VAL 52 HA VAL 52 9.189 12.514 -3.698 248 HB VAL 52 HB VAL 52 10.027 10.833 -5.222 249 HG11 VAL 52 HG11 VAL 52 11.224 11.226 -3.127 250 HG12 VAL 52 HG12 VAL 52 10.223 9.981 -2.311 251 HG13 VAL 52 HG13 VAL 52 11.349 9.538 -3.599 252 HG21 VAL 52 HG21 VAL 52 9.695 8.413 -4.710 253 HG22 VAL 52 HG22 VAL 52 8.415 8.886 -3.605 254 HG23 VAL 52 HG23 VAL 52 8.248 9.163 -5.368 255 H MET 53 H MET 53 6.613 10.476 -4.933 256 HA MET 53 HA MET 53 6.670 11.738 -7.525 257 HB2 MET 53 HB2 MET 53 4.951 10.377 -8.178 258 HB3 MET 53 HB3 MET 53 5.786 9.425 -6.962 259 HG2 MET 53 HG2 MET 53 4.056 10.195 -5.297 260 HG3 MET 53 HG3 MET 53 3.173 10.952 -6.621 261 HE1 MET 53 HE1 MET 53 2.100 7.887 -8.817 262 HE2 MET 53 HE2 MET 53 2.204 9.660 -8.694 263 HE3 MET 53 HE3 MET 53 3.664 8.696 -9.012 264 H HIS 54 H HIS 54 4.937 12.640 -4.596 265 HA HIS 54 HA HIS 54 3.189 14.649 -5.719 266 HB2 HIS 54 HB2 HIS 54 2.609 14.081 -3.543 267 HB3 HIS 54 HB3 HIS 54 4.256 13.884 -3.028 268 HD2 HIS 54 HD2 HIS 54 5.196 15.616 -1.469 269 HE1 HIS 54 HE1 HIS 54 2.981 19.029 -2.706 270 HE2 HIS 54 HE2 HIS 54 4.743 18.176 -1.082 271 H TYR 55 H TYR 55 6.316 15.147 -3.967 272 HA TYR 55 HA TYR 55 6.864 17.699 -4.815 273 HB2 TYR 55 HB2 TYR 55 8.831 15.446 -4.366 274 HB3 TYR 55 HB3 TYR 55 9.222 17.167 -4.394 275 HD1 TYR 55 HD2 TYR 55 7.679 18.655 -2.742 276 HD2 TYR 55 HD1 TYR 55 8.663 14.502 -2.250 277 HE1 TYR 55 HE2 TYR 55 7.215 18.858 -0.307 278 HE2 TYR 55 HE1 TYR 55 8.185 14.693 0.202 279 HH TYR 55 HH TYR 55 7.149 17.770 1.720 280 H LEU 56 H LEU 56 7.586 14.714 -6.738 281 HA LEU 56 HA LEU 56 8.879 16.203 -8.852 282 HB2 LEU 56 HB2 LEU 56 7.694 13.420 -8.705 283 HB3 LEU 56 HB3 LEU 56 8.347 14.068 -10.204 284 HG LEU 56 HG LEU 56 9.956 13.814 -7.628 285 HD11 LEU 56 HD11 LEU 56 9.375 11.620 -8.543 286 HD12 LEU 56 HD12 LEU 56 9.966 12.114 -10.152 287 HD13 LEU 56 HD13 LEU 56 11.095 11.971 -8.786 288 HD21 LEU 56 HD21 LEU 56 10.752 14.554 -10.474 289 HD22 LEU 56 HD22 LEU 56 10.900 15.581 -9.033 290 HD23 LEU 56 HD23 LEU 56 11.903 14.144 -9.181 291 H GLY 57 H GLY 57 5.427 15.225 -8.468 292 HA2 GLY 57 HA2 GLY 57 4.462 16.162 -10.956 293 HA3 GLY 57 HA3 GLY 57 3.568 16.194 -9.431 294 H GLN 58 H GLN 58 4.890 18.022 -7.886 295 HA GLN 58 HA GLN 58 4.295 20.526 -9.202 296 HB2 GLN 58 HB2 GLN 58 4.758 21.646 -7.172 297 HB3 GLN 58 HB3 GLN 58 3.774 20.211 -6.885 298 HG2 GLN 58 HG2 GLN 58 5.844 19.014 -6.143 299 HG3 GLN 58 HG3 GLN 58 6.753 20.519 -6.315 300 HE21 GLN 58 HE22 GLN 58 7.290 20.511 -3.998 301 HE22 GLN 58 HE21 GLN 58 6.034 20.751 -2.801 302 H TYR 59 H TYR 59 7.451 18.869 -8.644 303 HA TYR 59 HA TYR 59 9.111 21.005 -9.549 304 HB2 TYR 59 HB2 TYR 59 9.942 18.832 -8.632 305 HB3 TYR 59 HB3 TYR 59 9.424 18.026 -10.093 306 HD1 TYR 59 HD2 TYR 59 10.545 18.614 -12.339 307 HD2 TYR 59 HD1 TYR 59 12.100 19.923 -8.528 308 HE1 TYR 59 HE2 TYR 59 12.818 18.807 -13.321 309 HE2 TYR 59 HE1 TYR 59 14.338 20.184 -9.550 310 HH TYR 59 HH TYR 59 15.063 19.256 -12.911 311 H ILE 60 H ILE 60 7.486 18.443 -11.505 312 HA ILE 60 HA ILE 60 8.213 19.446 -14.081 313 HB ILE 60 HB ILE 60 5.724 17.947 -13.182 314 HG12 ILE 60 HG12 ILE 60 8.100 16.680 -14.588 315 HG13 ILE 60 HG13 ILE 60 8.121 16.876 -12.850 316 HG21 ILE 60 HG21 ILE 60 6.869 18.378 -15.978 317 HG22 ILE 60 HG22 ILE 60 5.586 17.212 -15.590 318 HG23 ILE 60 HG23 ILE 60 5.293 18.930 -15.375 319 HD11 ILE 60 HD11 ILE 60 7.254 14.690 -13.270 320 HD12 ILE 60 HD12 ILE 60 5.908 15.680 -12.696 321 HD13 ILE 60 HD13 ILE 60 6.051 15.301 -14.423 322 H MET 61 H MET 61 5.313 20.176 -12.053 323 HA MET 61 HA MET 61 4.177 21.992 -13.927 324 HB2 MET 61 HB2 MET 61 3.029 20.813 -12.044 325 HB3 MET 61 HB3 MET 61 3.809 21.918 -10.913 326 HG2 MET 61 HG2 MET 61 1.478 22.553 -11.437 327 HG3 MET 61 HG3 MET 61 2.639 23.812 -11.820 328 HE1 MET 61 HE1 MET 61 0.534 21.235 -15.089 329 HE2 MET 61 HE2 MET 61 1.891 20.603 -14.139 330 HE3 MET 61 HE3 MET 61 0.336 20.958 -13.346 331 H VAL 62 H VAL 62 6.593 22.610 -11.373 332 HA VAL 62 HA VAL 62 6.646 25.498 -11.742 333 HB VAL 62 HB VAL 62 8.495 23.564 -10.401 334 HG11 VAL 62 HG11 VAL 62 9.650 25.537 -9.402 335 HG12 VAL 62 HG12 VAL 62 9.951 25.395 -11.131 336 HG13 VAL 62 HG13 VAL 62 8.781 26.595 -10.534 337 HG21 VAL 62 HG21 VAL 62 6.745 25.803 -9.302 338 HG22 VAL 62 HG22 VAL 62 6.284 24.094 -9.328 339 HG23 VAL 62 HG23 VAL 62 7.672 24.610 -8.361 340 H LYS 63 H LYS 63 8.798 22.845 -12.880 341 HA LYS 63 HA LYS 63 10.389 24.550 -14.617 342 HB2 LYS 63 HB2 LYS 63 9.850 21.552 -14.887 343 HB3 LYS 63 HB3 LYS 63 11.109 22.462 -15.701 344 HG2 LYS 63 HG2 LYS 63 11.020 21.532 -12.858 345 HG3 LYS 63 HG3 LYS 63 12.261 21.346 -14.080 346 HD2 LYS 63 HD2 LYS 63 12.650 23.899 -13.840 347 HD3 LYS 63 HD3 LYS 63 11.567 23.785 -12.433 348 HE2 LYS 63 HE2 LYS 63 13.679 23.630 -11.472 349 HE3 LYS 63 HE3 LYS 63 13.096 21.968 -11.529 350 HZ1 LYS 63 HZ1 LYS 63 14.495 21.710 -13.626 351 HZ2 LYS 63 HZ2 LYS 63 15.068 23.223 -13.382 352 HZ3 LYS 63 HZ3 LYS 63 15.366 22.047 -12.285 353 H GLN 64 H GLN 64 7.230 23.240 -14.992 354 HA GLN 64 HA GLN 64 5.722 23.153 -16.608 355 HB2 GLN 64 HB2 GLN 64 5.141 25.263 -17.662 356 HB3 GLN 64 HB3 GLN 64 5.497 25.381 -15.950 357 HG2 GLN 64 HG2 GLN 64 7.870 26.192 -16.679 358 HG3 GLN 64 HG3 GLN 64 7.156 26.405 -18.277 359 HE21 GLN 64 HE22 GLN 64 7.059 27.391 -14.839 360 HE22 GLN 64 HE21 GLN 64 6.204 28.905 -15.127 361 H LEU 65 H LEU 65 7.675 21.603 -17.261 362 HA LEU 65 HA LEU 65 8.498 22.098 -20.040 363 HB2 LEU 65 HB2 LEU 65 10.071 21.723 -18.068 364 HB3 LEU 65 HB3 LEU 65 9.567 20.041 -18.071 365 HG LEU 65 HG LEU 65 10.603 19.715 -20.280 366 HD11 LEU 65 HD11 LEU 65 10.195 21.825 -21.406 367 HD12 LEU 65 HD12 LEU 65 11.187 22.699 -20.213 368 HD13 LEU 65 HD13 LEU 65 11.932 21.542 -21.339 369 HD21 LEU 65 HD21 LEU 65 12.011 19.667 -18.198 370 HD22 LEU 65 HD22 LEU 65 12.929 20.116 -19.656 371 HD23 LEU 65 HD23 LEU 65 12.442 21.360 -18.486 372 H TYR 66 H TYR 66 5.802 21.100 -19.298 373 HA TYR 66 HA TYR 66 5.651 18.465 -20.638 374 HB2 TYR 66 HB2 TYR 66 3.209 18.690 -20.055 375 HB3 TYR 66 HB3 TYR 66 4.312 18.576 -18.698 376 HD1 TYR 66 HD1 TYR 66 2.320 21.014 -20.731 377 HD2 TYR 66 HD2 TYR 66 4.436 20.286 -17.050 378 HE1 TYR 66 HE1 TYR 66 1.459 23.162 -19.823 379 HE2 TYR 66 HE2 TYR 66 3.531 22.420 -16.115 380 HH TYR 66 HH TYR 66 1.420 24.601 -18.024 381 H ASP 67 H ASP 67 3.917 18.223 -22.349 382 HA ASP 67 HA ASP 67 4.478 20.123 -24.472 383 HB2 ASP 67 HB2 ASP 67 4.049 17.599 -24.708 384 HB3 ASP 67 HB3 ASP 67 2.340 17.996 -24.585 385 H GLN 68 H GLN 68 3.291 21.747 -25.278 386 HA GLN 68 HA GLN 68 1.287 23.165 -23.970 387 HB2 GLN 68 HB2 GLN 68 1.299 23.055 -27.000 388 HB3 GLN 68 HB3 GLN 68 1.016 24.406 -25.931 389 HG2 GLN 68 HG2 GLN 68 3.069 25.058 -26.447 390 HG3 GLN 68 HG3 GLN 68 3.675 23.830 -25.355 391 HE21 GLN 68 HE22 GLN 68 3.126 21.393 -27.195 392 HE22 GLN 68 HE21 GLN 68 4.247 21.689 -28.495 393 H GLN 69 H GLN 69 0.863 20.464 -26.286 394 HA GLN 69 HA GLN 69 -2.074 20.822 -26.307 395 HB2 GLN 69 HB2 GLN 69 -0.348 18.951 -27.966 396 HB3 GLN 69 HB3 GLN 69 -2.012 19.423 -28.271 397 HG2 GLN 69 HG2 GLN 69 0.473 21.161 -28.533 398 HG3 GLN 69 HG3 GLN 69 -0.527 20.545 -29.832 399 HE21 GLN 69 HE22 GLN 69 0.125 23.321 -29.502 400 HE22 GLN 69 HE21 GLN 69 -1.373 24.167 -29.149 401 H GLU 70 H GLU 70 0.229 18.810 -24.782 402 HA GLU 70 HA GLU 70 -1.953 17.316 -23.504 403 HB2 GLU 70 HB2 GLU 70 -0.403 15.199 -23.676 404 HB3 GLU 70 HB3 GLU 70 -1.693 15.543 -24.818 405 HG2 GLU 70 HG2 GLU 70 -0.034 16.530 -26.419 406 HG3 GLU 70 HG3 GLU 70 1.262 16.079 -25.307 407 H GLN 71 H GLN 71 -1.575 18.447 -21.710 408 HA GLN 71 HA GLN 71 0.957 18.888 -20.492 409 HB2 GLN 71 HB2 GLN 71 -1.808 18.718 -19.242 410 HB3 GLN 71 HB3 GLN 71 -0.378 19.427 -18.482 411 HG2 GLN 71 HG2 GLN 71 -0.222 21.124 -20.293 412 HG3 GLN 71 HG3 GLN 71 -1.598 20.413 -21.118 413 HE21 GLN 71 HE22 GLN 71 -2.518 22.574 -21.071 414 HE22 GLN 71 HE21 GLN 71 -3.333 23.106 -19.605 415 H HIS 72 H HIS 72 -0.848 15.969 -20.748 416 HA HIS 72 HA HIS 72 0.200 14.738 -18.396 417 HB2 HIS 72 HB2 HIS 72 -1.129 12.988 -18.856 418 HB3 HIS 72 HB3 HIS 72 -1.909 14.103 -19.955 419 HD2 HIS 72 HD2 HIS 72 -0.720 10.678 -19.921 420 HE1 HIS 72 HE1 HIS 72 0.289 11.861 -23.892 421 HE2 HIS 72 HE2 HIS 72 0.040 9.876 -22.318 422 H MET 73 H MET 73 1.561 15.404 -21.461 423 HA MET 73 HA MET 73 3.651 13.313 -21.309 424 HB2 MET 73 HB2 MET 73 2.501 13.604 -23.445 425 HB3 MET 73 HB3 MET 73 2.918 15.323 -23.470 426 HG2 MET 73 HG2 MET 73 4.392 14.063 -24.931 427 HG3 MET 73 HG3 MET 73 5.302 14.783 -23.608 428 HE1 MET 73 HE1 MET 73 7.385 13.343 -24.094 429 HE2 MET 73 HE2 MET 73 7.371 11.575 -24.306 430 HE3 MET 73 HE3 MET 73 6.553 12.620 -25.490 431 H VAL 74 H VAL 74 5.666 13.770 -20.629 432 HA VAL 74 HA VAL 74 6.341 16.583 -19.858 433 HB VAL 74 HB VAL 74 6.974 13.984 -18.403 434 HG11 VAL 74 HG11 VAL 74 8.725 15.617 -18.003 435 HG12 VAL 74 HG12 VAL 74 7.527 16.895 -17.701 436 HG13 VAL 74 HG13 VAL 74 7.696 15.520 -16.582 437 HG21 VAL 74 HG21 VAL 74 4.984 16.201 -17.757 438 HG22 VAL 74 HG22 VAL 74 4.588 14.521 -18.175 439 HG23 VAL 74 HG23 VAL 74 5.429 14.862 -16.669 440 H TYR 75 H TYR 75 8.226 17.372 -20.561 441 HA TYR 75 HA TYR 75 10.332 15.557 -21.624 442 HB2 TYR 75 HB2 TYR 75 9.787 18.487 -22.174 443 HB3 TYR 75 HB3 TYR 75 11.217 17.611 -22.701 444 HD1 TYR 75 HD1 TYR 75 10.953 15.489 -24.046 445 HD2 TYR 75 HD2 TYR 75 7.723 18.283 -23.437 446 HE1 TYR 75 HE1 TYR 75 9.669 14.389 -25.846 447 HE2 TYR 75 HE2 TYR 75 6.461 17.230 -25.310 448 HH TYR 75 HH TYR 75 6.447 15.587 -26.930 449 H CYS 76 H CYS 76 12.516 16.109 -21.071 450 HA CYS 76 HA CYS 76 13.093 17.787 -18.676 451 HB2 CYS 76 HB2 CYS 76 13.473 14.807 -18.971 452 HB3 CYS 76 HB3 CYS 76 14.515 15.755 -17.908 453 HG CYS 76 HG CYS 76 11.266 16.181 -17.795 454 H GLY 77 H GLY 77 13.689 18.150 -21.559 455 HA2 GLY 77 HA2 GLY 77 16.223 17.136 -22.232 456 HA3 GLY 77 HA3 GLY 77 15.471 18.546 -22.987 457 H GLY 78 H GLY 78 18.118 17.495 -21.307 458 HA2 GLY 78 HA2 GLY 78 19.944 18.520 -20.384 459 HA3 GLY 78 HA3 GLY 78 19.254 20.098 -20.770 460 H ASP 79 H ASP 79 17.185 18.053 -18.715 461 HA ASP 79 HA ASP 79 17.778 19.879 -16.469 462 HB2 ASP 79 HB2 ASP 79 15.472 19.717 -17.487 463 HB3 ASP 79 HB3 ASP 79 15.389 18.061 -16.880 464 H LEU 80 H LEU 80 18.182 19.128 -14.417 465 HA LEU 80 HA LEU 80 19.711 16.753 -14.111 466 HB2 LEU 80 HB2 LEU 80 18.384 18.550 -12.069 467 HB3 LEU 80 HB3 LEU 80 19.474 17.214 -11.672 468 HG LEU 80 HG LEU 80 20.272 19.624 -13.344 469 HD11 LEU 80 HD11 LEU 80 21.564 20.276 -11.360 470 HD12 LEU 80 HD12 LEU 80 19.840 20.175 -10.975 471 HD13 LEU 80 HD13 LEU 80 20.938 18.872 -10.466 472 HD21 LEU 80 HD21 LEU 80 21.914 17.301 -12.232 473 HD22 LEU 80 HD22 LEU 80 21.656 17.692 -13.949 474 HD23 LEU 80 HD23 LEU 80 22.594 18.785 -12.935 475 H LEU 81 H LEU 81 16.245 17.237 -13.927 476 HA LEU 81 HA LEU 81 15.623 14.722 -12.636 477 HB2 LEU 81 HB2 LEU 81 14.073 16.633 -12.764 478 HB3 LEU 81 HB3 LEU 81 14.018 16.493 -14.525 479 HG LEU 81 HG LEU 81 12.903 14.306 -14.351 480 HD11 LEU 81 HD11 LEU 81 13.169 14.663 -11.334 481 HD12 LEU 81 HD12 LEU 81 12.146 13.439 -12.127 482 HD13 LEU 81 HD13 LEU 81 13.894 13.371 -12.315 483 HD21 LEU 81 HD21 LEU 81 10.784 14.996 -13.387 484 HD22 LEU 81 HD22 LEU 81 11.583 16.267 -12.439 485 HD23 LEU 81 HD23 LEU 81 11.518 16.382 -14.212 486 H GLY 82 H GLY 82 16.202 15.665 -16.045 487 HA2 GLY 82 HA2 GLY 82 15.536 13.065 -17.217 488 HA3 GLY 82 HA3 GLY 82 16.483 14.364 -17.958 489 H GLU 83 H GLU 83 18.566 14.654 -15.984 490 HA GLU 83 HA GLU 83 20.334 12.501 -16.589 491 HB2 GLU 83 HB2 GLU 83 21.139 14.689 -16.213 492 HB3 GLU 83 HB3 GLU 83 20.223 14.847 -14.728 493 HG2 GLU 83 HG2 GLU 83 22.508 14.683 -14.215 494 HG3 GLU 83 HG3 GLU 83 21.592 13.331 -13.559 495 H LEU 84 H LEU 84 18.274 13.178 -13.727 496 HA LEU 84 HA LEU 84 19.170 10.980 -12.154 497 HB2 LEU 84 HB2 LEU 84 18.105 12.957 -11.218 498 HB3 LEU 84 HB3 LEU 84 16.627 12.648 -12.122 499 HG LEU 84 HG LEU 84 16.165 10.637 -10.792 500 HD11 LEU 84 HD11 LEU 84 17.519 10.204 -8.727 501 HD12 LEU 84 HD12 LEU 84 18.415 9.870 -10.211 502 HD13 LEU 84 HD13 LEU 84 18.728 11.369 -9.314 503 HD21 LEU 84 HD21 LEU 84 15.336 12.836 -10.039 504 HD22 LEU 84 HD22 LEU 84 15.684 11.770 -8.670 505 HD23 LEU 84 HD23 LEU 84 16.817 13.076 -9.084 506 H LEU 85 H LEU 85 16.306 11.322 -14.282 507 HA LEU 85 HA LEU 85 15.372 8.600 -13.798 508 HB2 LEU 85 HB2 LEU 85 14.605 10.710 -15.852 509 HB3 LEU 85 HB3 LEU 85 13.763 9.178 -15.659 510 HG LEU 85 HG LEU 85 13.982 11.270 -13.445 511 HD11 LEU 85 HD11 LEU 85 11.686 10.629 -15.345 512 HD12 LEU 85 HD12 LEU 85 11.642 11.790 -14.002 513 HD13 LEU 85 HD13 LEU 85 12.698 12.088 -15.392 514 HD21 LEU 85 HD21 LEU 85 12.124 10.036 -12.415 515 HD22 LEU 85 HD22 LEU 85 12.210 8.815 -13.698 516 HD23 LEU 85 HD23 LEU 85 13.558 9.012 -12.556 517 H GLY 86 H GLY 86 17.633 9.983 -16.099 518 HA2 GLY 86 HA2 GLY 86 19.138 8.809 -17.434 519 HA3 GLY 86 HA3 GLY 86 18.248 7.306 -17.177 520 H ARG 87 H ARG 87 16.015 9.615 -18.022 521 HA ARG 87 HA ARG 87 16.464 9.752 -20.890 522 HB2 ARG 87 HB2 ARG 87 13.961 9.027 -21.297 523 HB3 ARG 87 HB3 ARG 87 15.241 7.849 -21.252 524 HG2 ARG 87 HG2 ARG 87 14.668 7.230 -18.933 525 HG3 ARG 87 HG3 ARG 87 13.375 8.438 -18.908 526 HD2 ARG 87 HD2 ARG 87 13.505 6.185 -20.965 527 HD3 ARG 87 HD3 ARG 87 12.778 5.974 -19.373 528 HE ARG 87 HE ARG 87 11.725 8.303 -20.802 529 HH11 ARG 87 HH11 ARG 87 11.129 4.806 -20.447 530 HH12 ARG 87 HH12 ARG 87 9.431 5.078 -20.838 531 HH21 ARG 87 HH21 ARG 87 9.671 8.377 -21.388 532 HH22 ARG 87 HH22 ARG 87 8.665 6.901 -21.329 533 H GLN 88 H GLN 88 15.346 11.295 -21.962 534 HA GLN 88 HA GLN 88 14.632 13.529 -20.169 535 HB2 GLN 88 HB2 GLN 88 15.620 13.474 -23.029 536 HB3 GLN 88 HB3 GLN 88 15.182 14.952 -22.145 537 HG2 GLN 88 HG2 GLN 88 16.807 14.492 -20.404 538 HG3 GLN 88 HG3 GLN 88 17.240 12.943 -21.137 539 HE21 GLN 88 HE22 GLN 88 18.193 13.051 -23.452 540 HE22 GLN 88 HE21 GLN 88 19.207 14.447 -23.783 541 H SER 89 H SER 89 12.754 11.309 -21.396 542 HA SER 89 HA SER 89 10.517 13.169 -21.191 543 HB2 SER 89 HB2 SER 89 9.342 12.538 -23.203 544 HB3 SER 89 HB3 SER 89 10.908 13.249 -23.601 545 HG SER 89 HG SER 89 10.561 11.361 -24.848 546 H PHE 90 H PHE 90 8.585 12.306 -20.554 547 HA PHE 90 HA PHE 90 7.962 9.490 -20.478 548 HB2 PHE 90 HB2 PHE 90 7.873 9.187 -18.079 549 HB3 PHE 90 HB3 PHE 90 9.507 9.554 -18.555 550 HD1 PHE 90 HD2 PHE 90 10.533 11.776 -18.004 551 HD2 PHE 90 HD1 PHE 90 6.626 10.633 -16.572 552 HE1 PHE 90 HE2 PHE 90 10.691 13.472 -16.200 553 HE2 PHE 90 HE1 PHE 90 6.794 12.334 -14.774 554 HZ PHE 90 HZ PHE 90 8.861 13.709 -14.546 555 H SER 91 H SER 91 5.758 9.275 -19.043 556 HA SER 91 HA SER 91 4.232 11.802 -19.093 557 HB2 SER 91 HB2 SER 91 2.579 11.072 -20.612 558 HB3 SER 91 HB3 SER 91 4.118 10.727 -21.404 559 HG SER 91 HG SER 91 2.977 8.875 -21.616 560 H VAL 92 H VAL 92 1.943 11.454 -18.363 561 HA VAL 92 HA VAL 92 1.747 9.912 -15.930 562 HB VAL 92 HB VAL 92 -0.384 11.202 -17.662 563 HG11 VAL 92 HG11 VAL 92 -1.526 9.622 -16.206 564 HG12 VAL 92 HG12 VAL 92 -0.616 10.211 -14.797 565 HG13 VAL 92 HG13 VAL 92 -1.792 11.259 -15.613 566 HG21 VAL 92 HG21 VAL 92 1.004 12.186 -15.128 567 HG22 VAL 92 HG22 VAL 92 1.284 12.818 -16.760 568 HG23 VAL 92 HG23 VAL 92 -0.288 13.031 -16.004 569 H LYS 93 H LYS 93 1.336 8.983 -19.262 570 HA LYS 93 HA LYS 93 -0.107 6.468 -18.598 571 HB2 LYS 93 HB2 LYS 93 -0.752 7.831 -20.566 572 HB3 LYS 93 HB3 LYS 93 0.845 7.551 -21.279 573 HG2 LYS 93 HG2 LYS 93 0.424 5.136 -21.368 574 HG3 LYS 93 HG3 LYS 93 -1.126 5.335 -20.543 575 HD2 LYS 93 HD2 LYS 93 -0.436 6.527 -23.269 576 HD3 LYS 93 HD3 LYS 93 -1.272 4.988 -23.020 577 HE2 LYS 93 HE2 LYS 93 -3.086 6.175 -21.779 578 HE3 LYS 93 HE3 LYS 93 -2.291 7.719 -22.108 579 HZ1 LYS 93 HZ1 LYS 93 -4.030 7.258 -23.741 580 HZ2 LYS 93 HZ2 LYS 93 -2.586 7.278 -24.500 581 HZ3 LYS 93 HZ3 LYS 93 -3.328 5.856 -24.186 582 H ASP 94 H ASP 94 3.132 7.582 -19.406 583 HA ASP 94 HA ASP 94 4.204 4.833 -18.907 584 HB2 ASP 94 HB2 ASP 94 4.451 5.557 -21.247 585 HB3 ASP 94 HB3 ASP 94 5.307 7.006 -20.720 586 HA PRO 95 HA PRO 95 5.920 7.750 -15.689 587 HB2 PRO 95 HB2 PRO 95 4.783 6.881 -13.407 588 HB3 PRO 95 HB3 PRO 95 3.853 7.835 -14.602 589 HG2 PRO 95 HG2 PRO 95 3.936 4.799 -14.334 590 HG3 PRO 95 HG3 PRO 95 2.486 5.856 -14.355 591 HD2 PRO 95 HD2 PRO 95 3.424 4.646 -16.621 592 HD3 PRO 95 HD3 PRO 95 2.709 6.287 -16.637 593 H SER 96 H SER 96 6.258 4.492 -16.435 594 HA SER 96 HA SER 96 7.427 3.156 -14.397 595 HB2 SER 96 HB2 SER 96 8.343 3.066 -17.287 596 HB3 SER 96 HB3 SER 96 8.556 1.795 -16.065 597 HG SER 96 HG SER 96 6.686 1.470 -17.416 598 HA PRO 97 HA PRO 97 11.880 4.926 -15.257 599 HB2 PRO 97 HB2 PRO 97 11.062 7.818 -15.631 600 HB3 PRO 97 HB3 PRO 97 12.527 6.970 -16.230 601 HG2 PRO 97 HG2 PRO 97 10.474 7.372 -17.915 602 HG3 PRO 97 HG3 PRO 97 11.220 5.735 -17.836 603 HD2 PRO 97 HD2 PRO 97 8.716 6.711 -16.456 604 HD3 PRO 97 HD3 PRO 97 8.952 5.228 -17.429 605 H LEU 98 H LEU 98 9.309 6.761 -13.577 606 HA LEU 98 HA LEU 98 10.911 7.676 -11.342 607 HB2 LEU 98 HB2 LEU 98 8.841 8.716 -11.982 608 HB3 LEU 98 HB3 LEU 98 7.923 7.236 -11.797 609 HG LEU 98 HG LEU 98 9.311 8.317 -9.358 610 HD11 LEU 98 HD11 LEU 98 7.443 9.805 -8.880 611 HD12 LEU 98 HD12 LEU 98 8.221 10.294 -10.392 612 HD13 LEU 98 HD13 LEU 98 6.684 9.408 -10.442 613 HD21 LEU 98 HD21 LEU 98 7.291 7.459 -8.232 614 HD22 LEU 98 HD22 LEU 98 6.559 7.059 -9.798 615 HD23 LEU 98 HD23 LEU 98 7.983 6.180 -9.234 616 H TYR 99 H TYR 99 8.793 4.823 -11.826 617 HA TYR 99 HA TYR 99 9.412 3.713 -9.252 618 HB2 TYR 99 HB2 TYR 99 8.309 2.367 -11.758 619 HB3 TYR 99 HB3 TYR 99 8.326 1.666 -10.145 620 HD1 TYR 99 HD1 TYR 99 6.964 2.695 -8.293 621 HD2 TYR 99 HD2 TYR 99 6.600 3.988 -12.394 622 HE1 TYR 99 HE1 TYR 99 4.779 3.758 -7.766 623 HE2 TYR 99 HE2 TYR 99 4.416 5.052 -11.859 624 HH TYR 99 HH TYR 99 2.979 4.942 -8.579 625 H ASP 100 H ASP 100 10.951 3.314 -12.457 626 HA ASP 100 HA ASP 100 12.760 1.246 -11.652 627 HB2 ASP 100 HB2 ASP 100 12.187 2.003 -13.997 628 HB3 ASP 100 HB3 ASP 100 13.194 3.418 -13.744 629 H MET 101 H MET 101 12.937 4.789 -11.405 630 HA MET 101 HA MET 101 15.604 5.004 -10.351 631 HB2 MET 101 HB2 MET 101 14.843 7.032 -11.074 632 HB3 MET 101 HB3 MET 101 13.165 6.675 -10.710 633 HG2 MET 101 HG2 MET 101 13.635 6.997 -8.306 634 HG3 MET 101 HG3 MET 101 15.235 7.619 -8.751 635 HE1 MET 101 HE1 MET 101 12.134 8.764 -7.315 636 HE2 MET 101 HE2 MET 101 11.249 9.746 -8.485 637 HE3 MET 101 HE3 MET 101 11.401 7.991 -8.741 638 H LEU 102 H LEU 102 12.394 4.437 -8.842 639 HA LEU 102 HA LEU 102 13.493 4.536 -6.153 640 HB2 LEU 102 HB2 LEU 102 10.762 3.841 -7.286 641 HB3 LEU 102 HB3 LEU 102 11.095 3.872 -5.559 642 HG LEU 102 HG LEU 102 11.604 6.268 -7.357 643 HD11 LEU 102 HD11 LEU 102 9.195 5.571 -7.352 644 HD12 LEU 102 HD12 LEU 102 9.189 5.788 -5.592 645 HD13 LEU 102 HD13 LEU 102 9.492 7.174 -6.671 646 HD21 LEU 102 HD21 LEU 102 11.627 7.550 -5.303 647 HD22 LEU 102 HD22 LEU 102 11.241 6.102 -4.340 648 HD23 LEU 102 HD23 LEU 102 12.809 6.269 -5.161 649 H ARG 103 H ARG 103 12.354 1.793 -8.179 650 HA ARG 103 HA ARG 103 12.517 -0.203 -6.236 651 HB2 ARG 103 HB2 ARG 103 12.535 -1.791 -8.058 652 HB3 ARG 103 HB3 ARG 103 11.533 -0.409 -8.490 653 HG2 ARG 103 HG2 ARG 103 12.565 -0.800 -10.451 654 HG3 ARG 103 HG3 ARG 103 13.583 0.465 -9.772 655 HD2 ARG 103 HD2 ARG 103 15.308 -1.206 -9.199 656 HD3 ARG 103 HD3 ARG 103 14.226 -2.509 -9.743 657 HE ARG 103 HE ARG 103 14.569 -0.596 -11.862 658 HH11 ARG 103 HH11 ARG 103 16.493 -3.117 -10.327 659 HH12 ARG 103 HH12 ARG 103 17.451 -3.329 -11.768 660 HH21 ARG 103 HH21 ARG 103 15.711 -0.892 -13.522 661 HH22 ARG 103 HH22 ARG 103 17.023 -2.075 -13.600 662 H LYS 104 H LYS 104 15.094 1.244 -7.942 663 HA LYS 104 HA LYS 104 17.270 -0.533 -7.231 664 HB2 LYS 104 HB2 LYS 104 17.222 0.956 -9.180 665 HB3 LYS 104 HB3 LYS 104 17.160 2.375 -8.123 666 HG2 LYS 104 HG2 LYS 104 19.414 1.990 -7.346 667 HG3 LYS 104 HG3 LYS 104 19.468 0.387 -8.097 668 HD2 LYS 104 HD2 LYS 104 20.740 2.112 -9.360 669 HD3 LYS 104 HD3 LYS 104 19.475 1.330 -10.318 670 HE2 LYS 104 HE2 LYS 104 17.981 3.253 -10.023 671 HE3 LYS 104 HE3 LYS 104 19.140 4.030 -8.935 672 HZ1 LYS 104 HZ1 LYS 104 20.713 4.161 -10.810 673 HZ2 LYS 104 HZ2 LYS 104 19.645 3.443 -11.817 674 HZ3 LYS 104 HZ3 LYS 104 19.325 4.921 -11.202 675 H ASN 105 H ASN 105 15.689 2.106 -5.512 676 HA ASN 105 HA ASN 105 17.744 1.960 -3.361 677 HB2 ASN 105 HB2 ASN 105 17.087 4.191 -4.338 678 HB3 ASN 105 HB3 ASN 105 15.530 4.019 -3.538 679 HD21 ASN 105 HD22 ASN 105 18.923 4.761 -3.123 680 HD22 ASN 105 HD21 ASN 105 18.853 4.992 -1.385 681 H LEU 106 H LEU 106 14.209 2.561 -2.772 682 HA LEU 106 HA LEU 106 14.301 0.523 -0.683 683 HB2 LEU 106 HB2 LEU 106 12.300 1.376 0.099 684 HB3 LEU 106 HB3 LEU 106 13.224 2.787 -0.384 685 HG LEU 106 HG LEU 106 10.952 1.512 -1.973 686 HD11 LEU 106 HD11 LEU 106 10.220 2.596 0.144 687 HD12 LEU 106 HD12 LEU 106 10.923 4.127 -0.445 688 HD13 LEU 106 HD13 LEU 106 9.578 3.362 -1.309 689 HD21 LEU 106 HD21 LEU 106 12.515 4.078 -2.456 690 HD22 LEU 106 HD22 LEU 106 12.309 2.679 -3.542 691 HD23 LEU 106 HD23 LEU 106 10.940 3.727 -3.199 692 H VAL 107 H VAL 107 12.938 -1.316 -0.548 693 HA VAL 107 HA VAL 107 12.183 -2.548 -3.118 694 HB VAL 107 HB VAL 107 11.790 -3.563 -0.275 695 HG11 VAL 107 HG11 VAL 107 10.187 -4.616 -1.837 696 HG12 VAL 107 HG12 VAL 107 11.510 -4.976 -2.972 697 HG13 VAL 107 HG13 VAL 107 11.447 -5.762 -1.380 698 HG21 VAL 107 HG21 VAL 107 13.887 -4.251 -2.386 699 HG22 VAL 107 HG22 VAL 107 14.184 -3.388 -0.861 700 HG23 VAL 107 HG23 VAL 107 13.676 -5.078 -0.827 701 H THR 108 H THR 108 10.354 -1.964 -4.113 702 HA THR 108 HA THR 108 7.830 -1.560 -2.661 703 HB THR 108 HB THR 108 9.112 0.574 -2.410 704 HG1 THR 108 HG1 THR 108 7.012 0.814 -2.166 705 HG21 THR 108 HG21 THR 108 10.205 0.692 -4.638 706 HG22 THR 108 HG22 THR 108 8.613 0.970 -5.380 707 HG23 THR 108 HG23 THR 108 9.276 2.143 -4.234 708 H LEU 109 H LEU 109 6.300 -0.367 -4.390 709 HA LEU 109 HA LEU 109 5.724 -2.443 -6.357 710 HB2 LEU 109 HB2 LEU 109 4.388 0.229 -5.722 711 HB3 LEU 109 HB3 LEU 109 3.784 -0.915 -6.897 712 HG LEU 109 HG LEU 109 2.462 -1.106 -4.971 713 HD11 LEU 109 HD11 LEU 109 3.010 -3.232 -6.130 714 HD12 LEU 109 HD12 LEU 109 4.305 -3.527 -4.944 715 HD13 LEU 109 HD13 LEU 109 2.613 -3.453 -4.417 716 HD21 LEU 109 HD21 LEU 109 3.153 -1.631 -2.757 717 HD22 LEU 109 HD22 LEU 109 4.843 -1.835 -3.235 718 HD23 LEU 109 HD23 LEU 109 4.086 -0.221 -3.284 719 H ALA 110 H ALA 110 5.275 -2.051 -8.617 720 HA ALA 110 HA ALA 110 6.441 0.264 -9.958 721 HB1 ALA 110 HB1 ALA 110 7.966 -1.056 -11.355 722 HB2 ALA 110 HB2 ALA 110 8.420 -1.222 -9.646 723 HB3 ALA 110 HB3 ALA 110 7.535 -2.535 -10.470 724 H THR 111 H THR 111 6.324 -0.191 -12.465 725 HA THR 111 HA THR 111 3.948 -1.722 -13.289 726 HB THR 111 HB THR 111 3.145 0.324 -12.164 727 HG1 THR 111 HG1 THR 111 1.615 0.693 -13.788 728 HG21 THR 111 HG21 THR 111 3.212 2.489 -13.272 729 HG22 THR 111 HG22 THR 111 4.865 1.954 -12.946 730 HG23 THR 111 HG23 THR 111 4.207 1.845 -14.594 731 HD1 49H 200 HD1 49H 200 1.714 14.175 -13.183 732 HD2 49H 200 HD2 49H 200 2.051 12.657 -9.163 733 HD3 49H 200 HD3 49H 200 0.525 11.412 -12.862 734 HD4 49H 200 HD4 49H 200 -1.249 11.079 -8.956 735 HD5 49H 200 HD5 49H 200 -2.931 13.584 -14.260 736 HE1 49H 200 HE1 49H 200 4.024 13.435 -13.650 737 HE2 49H 200 HE2 49H 200 4.345 11.895 -9.660 738 HE4 49H 200 HE4 49H 200 -0.674 8.676 -8.901 739 HE5 49H 200 HE5 49H 200 -3.526 14.401 -16.471 740 HE6 49H 200 HE6 49H 200 -0.388 17.293 -16.299 741 HZ2 49H 200 HZ2 49H 200 0.520 7.636 -10.817 742 HM11 49H 200 HM11 49H 200 -3.634 16.783 -19.328 743 HM12 49H 200 HM12 49H 200 -3.696 15.147 -18.623 744 HM13 49H 200 HM13 49H 200 -4.404 16.533 -17.737 745 HM21 49H 200 HM21 49H 200 2.854 15.358 -14.950 746 HM22 49H 200 HM22 49H 200 1.712 15.711 -16.253 747 HM23 49H 200 HM23 49H 200 3.187 16.665 -16.096 748 HM31 49H 200 HM31 49H 200 3.040 16.870 -12.948 749 HM32 49H 200 HM32 49H 200 3.444 18.255 -13.981 750 HM33 49H 200 HM33 49H 200 2.096 18.363 -12.851 751 HN1 49H 200 HN1 49H 200 -3.678 20.066 -11.142 752 H21 49H 200 H21 49H 200 -3.411 17.675 -9.965 753 H22 49H 200 H22 49H 200 -4.347 17.815 -11.467 754 H31 49H 200 H31 49H 200 -2.638 15.999 -11.459 755 H32 49H 200 H32 49H 200 -2.458 17.146 -12.807 756 H41 49H 200 H41 49H 200 0.149 19.020 -11.862 757 H42 49H 200 H42 49H 200 -0.143 18.801 -10.125 758 H7 49H 200 H7 49H 200 -1.560 13.060 -10.172 759 H8 49H 200 H8 49H 200 0.291 14.254 -9.732 760 H9 49H 200 H9 49H 200 1.303 18.016 -15.206 Start of MODEL 6 1 H1 GLN 23 H GLN 23 16.467 2.526 10.427 2 HA GLN 23 HA GLN 23 16.229 5.303 9.887 3 HB2 GLN 23 HB2 GLN 23 16.961 5.460 7.583 4 HB3 GLN 23 HB3 GLN 23 18.300 4.989 8.626 5 HG2 GLN 23 HG2 GLN 23 18.029 2.616 7.886 6 HG3 GLN 23 HG3 GLN 23 16.704 3.103 6.827 7 HE21 GLN 23 HE22 GLN 23 18.580 1.818 5.487 8 HE22 GLN 23 HE21 GLN 23 19.638 2.923 4.619 9 H ILE 24 H ILE 24 14.642 5.802 8.133 10 HA ILE 24 HA ILE 24 12.312 4.135 8.385 11 HB ILE 24 HB ILE 24 11.375 5.665 6.601 12 HG12 ILE 24 HG12 ILE 24 13.951 7.239 7.083 13 HG13 ILE 24 HG13 ILE 24 13.451 6.497 5.569 14 HG21 ILE 24 HG21 ILE 24 10.953 5.847 9.016 15 HG22 ILE 24 HG22 ILE 24 12.335 6.963 9.169 16 HG23 ILE 24 HG23 ILE 24 10.906 7.406 8.195 17 HD11 ILE 24 HD11 ILE 24 13.013 8.832 5.380 18 HD12 ILE 24 HD12 ILE 24 11.417 8.108 5.623 19 HD13 ILE 24 HD13 ILE 24 12.239 8.914 6.967 20 H ASN 25 H ASN 25 10.975 3.270 6.782 21 HA ASN 25 HA ASN 25 12.529 1.501 5.089 22 HB2 ASN 25 HB2 ASN 25 9.566 1.408 5.736 23 HB3 ASN 25 HB3 ASN 25 10.567 0.074 5.144 24 HD21 ASN 25 HD22 ASN 25 12.644 -0.265 6.746 25 HD22 ASN 25 HD21 ASN 25 12.213 -0.216 8.447 26 H GLN 26 H GLN 26 12.913 3.553 3.852 27 HA GLN 26 HA GLN 26 11.595 3.745 1.276 28 HB2 GLN 26 HB2 GLN 26 10.854 6.139 1.635 29 HB3 GLN 26 HB3 GLN 26 9.842 4.877 2.249 30 HG2 GLN 26 HG2 GLN 26 11.660 5.697 4.357 31 HG3 GLN 26 HG3 GLN 26 10.944 7.116 3.658 32 HE21 GLN 26 HE22 GLN 26 9.362 3.843 4.142 33 HE22 GLN 26 HE21 GLN 26 8.235 4.465 5.326 34 H VAL 27 H VAL 27 12.508 6.499 0.848 35 HA VAL 27 HA VAL 27 15.374 5.787 0.435 36 HB VAL 27 HB VAL 27 13.882 7.914 -1.097 37 HG11 VAL 27 HG11 VAL 27 16.226 7.797 -1.673 38 HG12 VAL 27 HG12 VAL 27 16.136 6.032 -1.870 39 HG13 VAL 27 HG13 VAL 27 15.307 7.123 -2.990 40 HG21 VAL 27 HG21 VAL 27 13.280 6.197 -2.825 41 HG22 VAL 27 HG22 VAL 27 13.643 4.938 -1.634 42 HG23 VAL 27 HG23 VAL 27 12.327 6.101 -1.356 43 H ARG 28 H ARG 28 16.739 7.747 0.089 44 HA ARG 28 HA ARG 28 16.250 10.296 1.166 45 HB2 ARG 28 HB2 ARG 28 16.843 9.301 3.355 46 HB3 ARG 28 HB3 ARG 28 18.318 8.597 2.676 47 HG2 ARG 28 HG2 ARG 28 19.245 10.851 2.250 48 HG3 ARG 28 HG3 ARG 28 17.717 11.586 2.738 49 HD2 ARG 28 HD2 ARG 28 19.329 11.943 4.401 50 HD3 ARG 28 HD3 ARG 28 18.068 10.863 5.036 51 HE ARG 28 HE ARG 28 20.183 9.247 4.006 52 HH11 ARG 28 HH11 ARG 28 19.726 11.442 6.702 53 HH12 ARG 28 HH12 ARG 28 20.887 10.606 7.697 54 HH21 ARG 28 HH21 ARG 28 21.642 8.221 5.335 55 HH22 ARG 28 HH22 ARG 28 21.947 8.837 6.931 56 HA PRO 29 HA PRO 29 19.259 10.355 -2.162 57 HB2 PRO 29 HB2 PRO 29 18.994 12.899 -2.977 58 HB3 PRO 29 HB3 PRO 29 17.570 11.820 -2.893 59 HG2 PRO 29 HG2 PRO 29 18.467 13.901 -0.876 60 HG3 PRO 29 HG3 PRO 29 16.847 13.643 -1.552 61 HD2 PRO 29 HD2 PRO 29 17.845 12.626 0.860 62 HD3 PRO 29 HD3 PRO 29 16.456 11.935 -0.022 63 H LYS 30 H LYS 30 21.129 11.408 -3.073 64 HA LYS 30 HA LYS 30 23.139 12.458 -1.162 65 HB2 LYS 30 HB2 LYS 30 23.580 10.728 -3.006 66 HB3 LYS 30 HB3 LYS 30 23.370 12.031 -4.179 67 HG2 LYS 30 HG2 LYS 30 25.291 13.248 -3.091 68 HG3 LYS 30 HG3 LYS 30 25.454 11.907 -1.944 69 HD2 LYS 30 HD2 LYS 30 25.902 10.358 -3.841 70 HD3 LYS 30 HD3 LYS 30 25.739 11.714 -4.980 71 HE2 LYS 30 HE2 LYS 30 27.637 12.875 -3.868 72 HE3 LYS 30 HE3 LYS 30 27.787 11.541 -2.717 73 HZ1 LYS 30 HZ1 LYS 30 29.375 11.313 -4.543 74 HZ2 LYS 30 HZ2 LYS 30 28.324 10.068 -4.591 75 HZ3 LYS 30 HZ3 LYS 30 28.186 11.299 -5.659 76 H LEU 31 H LEU 31 24.190 14.603 -1.651 77 HA LEU 31 HA LEU 31 22.292 16.635 -1.698 78 HB2 LEU 31 HB2 LEU 31 25.242 16.914 -2.381 79 HB3 LEU 31 HB3 LEU 31 24.159 18.228 -1.947 80 HG LEU 31 HG LEU 31 24.976 15.918 -0.136 81 HD11 LEU 31 HD11 LEU 31 26.178 17.654 1.112 82 HD12 LEU 31 HD12 LEU 31 26.752 17.580 -0.561 83 HD13 LEU 31 HD13 LEU 31 25.655 18.886 -0.058 84 HD21 LEU 31 HD21 LEU 31 22.724 16.609 0.492 85 HD22 LEU 31 HD22 LEU 31 23.870 17.247 1.669 86 HD23 LEU 31 HD23 LEU 31 23.193 18.327 0.429 87 HA PRO 32 HA PRO 32 22.942 17.660 -6.345 88 HB2 PRO 32 HB2 PRO 32 23.507 14.912 -7.442 89 HB3 PRO 32 HB3 PRO 32 24.067 16.507 -8.037 90 HG2 PRO 32 HG2 PRO 32 25.758 14.934 -6.640 91 HG3 PRO 32 HG3 PRO 32 25.661 16.685 -6.243 92 HD2 PRO 32 HD2 PRO 32 24.237 14.377 -4.882 93 HD3 PRO 32 HD3 PRO 32 25.226 15.668 -4.140 94 H LEU 33 H LEU 33 21.555 14.588 -5.263 95 HA LEU 33 HA LEU 33 19.232 14.718 -7.086 96 HB2 LEU 33 HB2 LEU 33 20.207 12.840 -4.918 97 HB3 LEU 33 HB3 LEU 33 18.535 12.780 -5.468 98 HG LEU 33 HG LEU 33 19.207 12.296 -7.733 99 HD11 LEU 33 HD11 LEU 33 21.571 11.671 -8.271 100 HD12 LEU 33 HD12 LEU 33 21.366 13.395 -7.973 101 HD13 LEU 33 HD13 LEU 33 22.080 12.355 -6.712 102 HD21 LEU 33 HD21 LEU 33 20.624 10.498 -5.719 103 HD22 LEU 33 HD22 LEU 33 18.891 10.449 -6.120 104 HD23 LEU 33 HD23 LEU 33 20.093 10.033 -7.350 105 H LEU 34 H LEU 34 19.962 15.392 -3.678 106 HA LEU 34 HA LEU 34 17.318 16.074 -2.792 107 HB2 LEU 34 HB2 LEU 34 19.517 15.645 -1.473 108 HB3 LEU 34 HB3 LEU 34 20.037 17.236 -1.913 109 HG LEU 34 HG LEU 34 17.459 16.870 -0.325 110 HD11 LEU 34 HD11 LEU 34 20.295 17.109 0.768 111 HD12 LEU 34 HD12 LEU 34 18.793 17.136 1.718 112 HD13 LEU 34 HD13 LEU 34 19.269 15.660 0.868 113 HD21 LEU 34 HD21 LEU 34 18.090 19.098 0.555 114 HD22 LEU 34 HD22 LEU 34 19.498 19.129 -0.525 115 HD23 LEU 34 HD23 LEU 34 17.848 19.131 -1.185 116 H LYS 35 H LYS 35 19.855 18.167 -4.306 117 HA LYS 35 HA LYS 35 18.352 20.540 -3.786 118 HB2 LYS 35 HB2 LYS 35 19.884 21.790 -4.915 119 HB3 LYS 35 HB3 LYS 35 20.573 20.621 -3.800 120 HG2 LYS 35 HG2 LYS 35 21.007 19.162 -5.963 121 HG3 LYS 35 HG3 LYS 35 20.726 20.700 -6.832 122 HD2 LYS 35 HD2 LYS 35 22.282 21.773 -5.121 123 HD3 LYS 35 HD3 LYS 35 22.648 20.145 -4.540 124 HE2 LYS 35 HE2 LYS 35 23.549 19.551 -6.813 125 HE3 LYS 35 HE3 LYS 35 23.106 21.152 -7.409 126 HZ1 LYS 35 HZ1 LYS 35 25.462 21.058 -6.815 127 HZ2 LYS 35 HZ2 LYS 35 24.704 22.121 -5.842 128 HZ3 LYS 35 HZ3 LYS 35 25.122 20.647 -5.272 129 H ILE 36 H ILE 36 18.202 18.389 -6.518 130 HA ILE 36 HA ILE 36 16.623 19.947 -8.350 131 HB ILE 36 HB ILE 36 16.550 16.964 -7.709 132 HG12 ILE 36 HG12 ILE 36 17.971 18.307 -10.041 133 HG13 ILE 36 HG13 ILE 36 18.778 17.956 -8.519 134 HG21 ILE 36 HG21 ILE 36 14.499 17.687 -8.971 135 HG22 ILE 36 HG22 ILE 36 15.563 18.333 -10.238 136 HG23 ILE 36 HG23 ILE 36 15.523 16.598 -9.895 137 HD11 ILE 36 HD11 ILE 36 17.699 15.976 -10.529 138 HD12 ILE 36 HD12 ILE 36 19.321 16.099 -9.813 139 HD13 ILE 36 HD13 ILE 36 17.987 15.521 -8.821 140 H LEU 37 H LEU 37 15.638 17.682 -5.736 141 HA LEU 37 HA LEU 37 12.852 18.448 -5.925 142 HB2 LEU 37 HB2 LEU 37 14.439 16.575 -4.110 143 HB3 LEU 37 HB3 LEU 37 12.782 16.847 -3.838 144 HG LEU 37 HG LEU 37 13.780 16.126 -6.642 145 HD11 LEU 37 HD11 LEU 37 13.375 13.809 -6.276 146 HD12 LEU 37 HD12 LEU 37 14.538 14.373 -5.064 147 HD13 LEU 37 HD13 LEU 37 12.831 14.106 -4.616 148 HD21 LEU 37 HD21 LEU 37 11.527 15.248 -6.986 149 HD22 LEU 37 HD22 LEU 37 11.097 15.630 -5.310 150 HD23 LEU 37 HD23 LEU 37 11.416 16.935 -6.473 151 H HIS 38 H HIS 38 15.494 19.599 -3.903 152 HA HIS 38 HA HIS 38 13.893 21.226 -2.157 153 HB2 HIS 38 HB2 HIS 38 16.635 20.647 -2.506 154 HB3 HIS 38 HB3 HIS 38 16.522 22.375 -2.778 155 HD2 HIS 38 HD2 HIS 38 14.961 19.867 -0.222 156 HE1 HIS 38 HE1 HIS 38 16.502 23.170 2.009 157 HE2 HIS 38 HE2 HIS 38 15.308 20.932 2.183 158 H ALA 39 H ALA 39 15.208 21.917 -5.441 159 HA ALA 39 HA ALA 39 14.345 24.609 -5.571 160 HB1 ALA 39 HB1 ALA 39 14.358 22.577 -7.839 161 HB2 ALA 39 HB2 ALA 39 14.452 24.334 -7.984 162 HB3 ALA 39 HB3 ALA 39 15.801 23.444 -7.248 163 H ALA 40 H ALA 40 12.440 21.685 -5.590 164 HA ALA 40 HA ALA 40 9.953 23.181 -6.200 165 HB1 ALA 40 HB1 ALA 40 10.521 20.194 -6.177 166 HB2 ALA 40 HB2 ALA 40 8.962 20.952 -6.568 167 HB3 ALA 40 HB3 ALA 40 10.360 21.262 -7.597 168 H GLY 41 H GLY 41 11.535 23.217 -3.566 169 HA2 GLY 41 HA2 GLY 41 10.867 23.699 -1.437 170 HA3 GLY 41 HA3 GLY 41 9.193 23.423 -1.917 171 H ALA 42 H ALA 42 11.284 20.682 -2.415 172 HA ALA 42 HA ALA 42 9.851 19.146 -0.432 173 HB1 ALA 42 HB1 ALA 42 12.227 18.306 -2.121 174 HB2 ALA 42 HB2 ALA 42 10.892 17.288 -1.540 175 HB3 ALA 42 HB3 ALA 42 10.594 18.478 -2.814 176 H GLN 43 H GLN 43 11.632 17.318 0.362 177 HA GLN 43 HA GLN 43 14.060 18.489 1.644 178 HB2 GLN 43 HB2 GLN 43 12.091 16.646 3.071 179 HB3 GLN 43 HB3 GLN 43 13.686 17.119 3.666 180 HG2 GLN 43 HG2 GLN 43 12.955 19.511 3.667 181 HG3 GLN 43 HG3 GLN 43 11.335 18.997 3.179 182 HE21 GLN 43 HE22 GLN 43 10.112 17.549 4.725 183 HE22 GLN 43 HE21 GLN 43 10.501 17.682 6.434 184 H GLY 44 H GLY 44 14.192 17.504 -0.739 185 HA2 GLY 44 HA2 GLY 44 15.364 16.072 -2.044 186 HA3 GLY 44 HA3 GLY 44 15.927 15.268 -0.573 187 H GLU 45 H GLU 45 15.221 13.296 -0.225 188 HA GLU 45 HA GLU 45 12.767 12.171 -1.424 189 HB2 GLU 45 HB2 GLU 45 15.512 10.919 -1.856 190 HB3 GLU 45 HB3 GLU 45 13.967 10.175 -2.251 191 HG2 GLU 45 HG2 GLU 45 13.490 12.063 -3.811 192 HG3 GLU 45 HG3 GLU 45 15.146 12.638 -3.545 193 H MET 46 H MET 46 13.925 12.873 1.313 194 HA MET 46 HA MET 46 14.429 10.349 2.640 195 HB2 MET 46 HB2 MET 46 15.608 12.325 3.093 196 HB3 MET 46 HB3 MET 46 14.144 13.106 3.744 197 HG2 MET 46 HG2 MET 46 14.097 11.404 5.566 198 HG3 MET 46 HG3 MET 46 15.505 10.610 4.863 199 HE1 MET 46 HE1 MET 46 16.593 10.659 7.289 200 HE2 MET 46 HE2 MET 46 16.793 12.140 8.251 201 HE3 MET 46 HE3 MET 46 15.165 11.508 7.925 202 H PHE 47 H PHE 47 12.219 9.831 1.541 203 HA PHE 47 HA PHE 47 10.142 9.270 3.468 204 HB2 PHE 47 HB2 PHE 47 8.430 10.810 2.301 205 HB3 PHE 47 HB3 PHE 47 9.512 11.436 3.514 206 HD1 PHE 47 HD1 PHE 47 9.457 10.996 -0.241 207 HD2 PHE 47 HD2 PHE 47 10.626 13.440 3.102 208 HE1 PHE 47 HE1 PHE 47 10.236 12.791 -1.807 209 HE2 PHE 47 HE2 PHE 47 11.457 15.185 1.517 210 HZ PHE 47 HZ PHE 47 11.189 14.875 -0.911 211 H THR 48 H THR 48 8.088 8.520 2.339 212 HA THR 48 HA THR 48 8.741 6.332 0.676 213 HB THR 48 HB THR 48 5.877 7.198 1.017 214 HG1 THR 48 HG1 THR 48 5.942 6.604 3.195 215 HG21 THR 48 HG21 THR 48 6.280 4.912 0.172 216 HG22 THR 48 HG22 THR 48 7.358 4.576 1.550 217 HG23 THR 48 HG23 THR 48 5.623 4.839 1.801 218 H VAL 49 H VAL 49 7.478 5.616 -1.212 219 HA VAL 49 HA VAL 49 8.063 6.952 -3.556 220 HB VAL 49 HB VAL 49 5.841 4.942 -3.044 221 HG11 VAL 49 HG11 VAL 49 5.396 5.956 -5.214 222 HG12 VAL 49 HG12 VAL 49 7.095 5.782 -5.691 223 HG13 VAL 49 HG13 VAL 49 6.076 4.349 -5.450 224 HG21 VAL 49 HG21 VAL 49 8.729 4.597 -3.966 225 HG22 VAL 49 HG22 VAL 49 8.046 4.078 -2.412 226 HG23 VAL 49 HG23 VAL 49 7.512 3.312 -3.903 227 H LYS 50 H LYS 50 4.962 7.064 -1.810 228 HA LYS 50 HA LYS 50 3.651 8.739 -3.727 229 HB2 LYS 50 HB2 LYS 50 1.901 9.029 -2.000 230 HB3 LYS 50 HB3 LYS 50 2.367 7.340 -2.207 231 HG2 LYS 50 HG2 LYS 50 3.777 7.458 -0.168 232 HG3 LYS 50 HG3 LYS 50 3.349 9.166 0.037 233 HD2 LYS 50 HD2 LYS 50 0.999 8.581 0.373 234 HD3 LYS 50 HD3 LYS 50 1.351 6.864 0.061 235 HE2 LYS 50 HE2 LYS 50 2.855 6.779 2.008 236 HE3 LYS 50 HE3 LYS 50 2.633 8.505 2.297 237 HZ1 LYS 50 HZ1 LYS 50 1.197 7.172 3.748 238 HZ2 LYS 50 HZ2 LYS 50 0.266 8.059 2.746 239 HZ3 LYS 50 HZ3 LYS 50 0.470 6.460 2.473 240 H GLU 51 H GLU 51 5.767 9.613 -1.103 241 HA GLU 51 HA GLU 51 5.066 12.477 -1.305 242 HB2 GLU 51 HB2 GLU 51 7.253 11.033 0.234 243 HB3 GLU 51 HB3 GLU 51 6.915 12.763 0.327 244 HG2 GLU 51 HG2 GLU 51 5.062 10.497 1.178 245 HG3 GLU 51 HG3 GLU 51 5.995 11.534 2.238 246 H VAL 52 H VAL 52 7.890 10.373 -2.286 247 HA VAL 52 HA VAL 52 9.349 12.509 -3.606 248 HB VAL 52 HB VAL 52 10.299 10.836 -5.059 249 HG11 VAL 52 HG11 VAL 52 10.386 10.042 -2.125 250 HG12 VAL 52 HG12 VAL 52 11.583 9.611 -3.352 251 HG13 VAL 52 HG13 VAL 52 11.381 11.303 -2.921 252 HG21 VAL 52 HG21 VAL 52 8.575 9.115 -5.245 253 HG22 VAL 52 HG22 VAL 52 10.014 8.419 -4.507 254 HG23 VAL 52 HG23 VAL 52 8.675 8.880 -3.470 255 H MET 53 H MET 53 6.887 10.385 -4.912 256 HA MET 53 HA MET 53 6.996 11.601 -7.521 257 HB2 MET 53 HB2 MET 53 5.256 10.232 -8.171 258 HB3 MET 53 HB3 MET 53 6.086 9.311 -6.922 259 HG2 MET 53 HG2 MET 53 4.359 10.103 -5.286 260 HG3 MET 53 HG3 MET 53 3.471 10.835 -6.621 261 HE1 MET 53 HE1 MET 53 3.827 8.599 -8.994 262 HE2 MET 53 HE2 MET 53 2.299 7.749 -8.713 263 HE3 MET 53 HE3 MET 53 2.363 9.522 -8.587 264 H HIS 54 H HIS 54 5.212 12.560 -4.657 265 HA HIS 54 HA HIS 54 3.452 14.519 -5.859 266 HB2 HIS 54 HB2 HIS 54 2.776 13.962 -3.718 267 HB3 HIS 54 HB3 HIS 54 4.389 13.721 -3.140 268 HD2 HIS 54 HD2 HIS 54 5.355 15.424 -1.555 269 HE1 HIS 54 HE1 HIS 54 3.106 18.854 -2.677 270 HE2 HIS 54 HE2 HIS 54 4.873 17.963 -1.079 271 H TYR 55 H TYR 55 6.516 15.064 -4.011 272 HA TYR 55 HA TYR 55 7.043 17.635 -4.864 273 HB2 TYR 55 HB2 TYR 55 9.026 15.418 -4.303 274 HB3 TYR 55 HB3 TYR 55 9.410 17.136 -4.363 275 HD1 TYR 55 HD1 TYR 55 7.846 18.666 -2.788 276 HD2 TYR 55 HD2 TYR 55 8.730 14.508 -2.194 277 HE1 TYR 55 HE1 TYR 55 7.265 18.910 -0.380 278 HE2 TYR 55 HE2 TYR 55 8.164 14.743 0.235 279 HH TYR 55 HH TYR 55 7.098 17.856 1.661 280 H LEU 56 H LEU 56 7.904 14.638 -6.683 281 HA LEU 56 HA LEU 56 9.332 16.030 -8.749 282 HB2 LEU 56 HB2 LEU 56 9.361 13.559 -8.028 283 HB3 LEU 56 HB3 LEU 56 7.966 13.338 -9.078 284 HG LEU 56 HG LEU 56 10.700 14.413 -9.947 285 HD11 LEU 56 HD11 LEU 56 11.128 12.181 -10.840 286 HD12 LEU 56 HD12 LEU 56 10.805 12.075 -9.106 287 HD13 LEU 56 HD13 LEU 56 9.542 11.619 -10.278 288 HD21 LEU 56 HD21 LEU 56 8.278 13.475 -11.540 289 HD22 LEU 56 HD22 LEU 56 9.088 15.060 -11.602 290 HD23 LEU 56 HD23 LEU 56 9.901 13.637 -12.238 291 H GLY 57 H GLY 57 5.860 15.015 -8.546 292 HA2 GLY 57 HA2 GLY 57 4.979 15.942 -11.071 293 HA3 GLY 57 HA3 GLY 57 4.014 15.887 -9.597 294 H GLN 58 H GLN 58 5.114 17.777 -7.946 295 HA GLN 58 HA GLN 58 4.362 20.234 -9.250 296 HB2 GLN 58 HB2 GLN 58 4.496 21.332 -7.231 297 HB3 GLN 58 HB3 GLN 58 3.893 19.713 -6.887 298 HG2 GLN 58 HG2 GLN 58 6.264 19.111 -6.193 299 HG3 GLN 58 HG3 GLN 58 6.678 20.820 -6.345 300 HE21 GLN 58 HE22 GLN 58 7.269 20.509 -3.938 301 HE22 GLN 58 HE21 GLN 58 5.955 20.542 -2.784 302 H TYR 59 H TYR 59 7.598 18.817 -8.639 303 HA TYR 59 HA TYR 59 9.116 21.086 -9.494 304 HB2 TYR 59 HB2 TYR 59 10.155 19.060 -8.530 305 HB3 TYR 59 HB3 TYR 59 9.667 18.123 -9.918 306 HD1 TYR 59 HD1 TYR 59 10.682 18.551 -12.187 307 HD2 TYR 59 HD2 TYR 59 12.146 20.501 -8.630 308 HE1 TYR 59 HE1 TYR 59 12.869 18.960 -13.302 309 HE2 TYR 59 HE2 TYR 59 14.322 20.882 -9.741 310 HH TYR 59 HH TYR 59 15.038 19.743 -13.056 311 H ILE 60 H ILE 60 7.760 18.375 -11.501 312 HA ILE 60 HA ILE 60 8.485 19.431 -14.044 313 HB ILE 60 HB ILE 60 5.986 17.903 -13.249 314 HG12 ILE 60 HG12 ILE 60 8.344 16.683 -14.713 315 HG13 ILE 60 HG13 ILE 60 8.366 16.812 -12.959 316 HG21 ILE 60 HG21 ILE 60 7.132 18.467 -16.020 317 HG22 ILE 60 HG22 ILE 60 5.880 17.261 -15.705 318 HG23 ILE 60 HG23 ILE 60 5.541 18.955 -15.395 319 HD11 ILE 60 HD11 ILE 60 7.451 14.635 -13.576 320 HD12 ILE 60 HD12 ILE 60 6.189 15.621 -12.820 321 HD13 ILE 60 HD13 ILE 60 6.201 15.390 -14.575 322 H MET 61 H MET 61 5.459 20.030 -12.143 323 HA MET 61 HA MET 61 4.440 21.864 -13.994 324 HB2 MET 61 HB2 MET 61 3.638 20.660 -11.552 325 HB3 MET 61 HB3 MET 61 3.478 22.406 -11.290 326 HG2 MET 61 HG2 MET 61 1.427 21.533 -12.240 327 HG3 MET 61 HG3 MET 61 2.224 22.552 -13.445 328 HE1 MET 61 HE1 MET 61 -0.064 20.741 -14.391 329 HE2 MET 61 HE2 MET 61 0.977 21.656 -15.512 330 HE3 MET 61 HE3 MET 61 0.638 19.936 -15.817 331 H VAL 62 H VAL 62 6.624 22.638 -11.289 332 HA VAL 62 HA VAL 62 6.388 25.540 -11.685 333 HB VAL 62 HB VAL 62 8.259 23.839 -10.076 334 HG11 VAL 62 HG11 VAL 62 8.993 25.949 -8.962 335 HG12 VAL 62 HG12 VAL 62 9.519 25.865 -10.641 336 HG13 VAL 62 HG13 VAL 62 8.125 26.881 -10.201 337 HG21 VAL 62 HG21 VAL 62 5.900 24.011 -9.260 338 HG22 VAL 62 HG22 VAL 62 7.046 24.782 -8.158 339 HG23 VAL 62 HG23 VAL 62 6.053 25.777 -9.248 340 H LYS 63 H LYS 63 8.853 23.065 -12.485 341 HA LYS 63 HA LYS 63 10.450 24.829 -14.164 342 HB2 LYS 63 HB2 LYS 63 10.221 21.786 -14.198 343 HB3 LYS 63 HB3 LYS 63 11.476 22.762 -14.965 344 HG2 LYS 63 HG2 LYS 63 11.150 22.166 -12.030 345 HG3 LYS 63 HG3 LYS 63 12.460 21.803 -13.144 346 HD2 LYS 63 HD2 LYS 63 12.629 24.459 -13.318 347 HD3 LYS 63 HD3 LYS 63 11.726 24.373 -11.789 348 HE2 LYS 63 HE2 LYS 63 14.079 24.540 -11.286 349 HE3 LYS 63 HE3 LYS 63 13.522 22.928 -10.833 350 HZ1 LYS 63 HZ1 LYS 63 14.575 22.042 -12.857 351 HZ2 LYS 63 HZ2 LYS 63 14.961 23.544 -13.385 352 HZ3 LYS 63 HZ3 LYS 63 15.673 22.924 -12.052 353 H GLN 64 H GLN 64 7.433 23.328 -14.659 354 HA GLN 64 HA GLN 64 6.007 23.063 -16.264 355 HB2 GLN 64 HB2 GLN 64 5.492 24.928 -17.728 356 HB3 GLN 64 HB3 GLN 64 5.734 25.348 -16.042 357 HG2 GLN 64 HG2 GLN 64 8.207 25.917 -16.867 358 HG3 GLN 64 HG3 GLN 64 7.431 26.040 -18.433 359 HE21 GLN 64 HE22 GLN 64 7.348 27.165 -14.992 360 HE22 GLN 64 HE21 GLN 64 6.602 28.715 -15.338 361 H LEU 65 H LEU 65 7.812 21.358 -16.510 362 HA LEU 65 HA LEU 65 9.034 21.322 -19.165 363 HB2 LEU 65 HB2 LEU 65 9.143 19.391 -16.798 364 HB3 LEU 65 HB3 LEU 65 10.050 19.137 -18.273 365 HG LEU 65 HG LEU 65 10.365 21.534 -16.471 366 HD11 LEU 65 HD11 LEU 65 12.452 20.484 -15.712 367 HD12 LEU 65 HD12 LEU 65 11.058 19.459 -15.345 368 HD13 LEU 65 HD13 LEU 65 12.114 19.058 -16.713 369 HD21 LEU 65 HD21 LEU 65 11.094 22.083 -18.726 370 HD22 LEU 65 HD22 LEU 65 12.501 21.899 -17.677 371 HD23 LEU 65 HD23 LEU 65 12.068 20.601 -18.810 372 H TYR 66 H TYR 66 6.565 21.340 -19.909 373 HA TYR 66 HA TYR 66 5.857 18.590 -20.724 374 HB2 TYR 66 HB2 TYR 66 3.467 19.017 -20.108 375 HB3 TYR 66 HB3 TYR 66 4.558 18.796 -18.761 376 HD1 TYR 66 HD1 TYR 66 2.964 21.556 -20.801 377 HD2 TYR 66 HD2 TYR 66 4.512 20.307 -16.974 378 HE1 TYR 66 HE1 TYR 66 2.224 23.706 -19.801 379 HE2 TYR 66 HE2 TYR 66 3.722 22.444 -15.968 380 HH TYR 66 HH TYR 66 2.074 24.980 -17.884 381 H ASP 67 H ASP 67 4.106 18.542 -22.389 382 HA ASP 67 HA ASP 67 4.711 20.478 -24.484 383 HB2 ASP 67 HB2 ASP 67 4.170 17.981 -24.765 384 HB3 ASP 67 HB3 ASP 67 2.485 18.436 -24.552 385 H GLN 68 H GLN 68 3.603 22.241 -25.082 386 HA GLN 68 HA GLN 68 1.621 23.613 -23.689 387 HB2 GLN 68 HB2 GLN 68 1.603 23.703 -26.715 388 HB3 GLN 68 HB3 GLN 68 1.389 24.986 -25.551 389 HG2 GLN 68 HG2 GLN 68 3.452 25.601 -26.076 390 HG3 GLN 68 HG3 GLN 68 4.037 24.289 -25.074 391 HE21 GLN 68 HE22 GLN 68 3.410 21.972 -27.015 392 HE22 GLN 68 HE21 GLN 68 4.487 22.323 -28.338 393 H GLN 69 H GLN 69 1.180 21.101 -26.189 394 HA GLN 69 HA GLN 69 -1.734 21.486 -26.316 395 HB2 GLN 69 HB2 GLN 69 -0.008 19.467 -27.776 396 HB3 GLN 69 HB3 GLN 69 -1.634 19.989 -28.190 397 HG2 GLN 69 HG2 GLN 69 0.937 21.604 -28.412 398 HG3 GLN 69 HG3 GLN 69 -0.037 20.979 -29.726 399 HE21 GLN 69 HE22 GLN 69 0.758 23.746 -29.418 400 HE22 GLN 69 HE21 GLN 69 -0.716 24.674 -29.188 401 H GLU 70 H GLU 70 0.450 19.448 -24.596 402 HA GLU 70 HA GLU 70 -1.786 18.034 -23.351 403 HB2 GLU 70 HB2 GLU 70 -0.592 15.781 -23.687 404 HB3 GLU 70 HB3 GLU 70 -1.690 16.406 -24.909 405 HG2 GLU 70 HG2 GLU 70 0.258 17.213 -26.265 406 HG3 GLU 70 HG3 GLU 70 1.348 16.495 -25.074 407 H GLN 71 H GLN 71 -1.256 19.039 -21.517 408 HA GLN 71 HA GLN 71 1.216 19.111 -20.175 409 HB2 GLN 71 HB2 GLN 71 -1.656 19.010 -19.152 410 HB3 GLN 71 HB3 GLN 71 -0.265 19.268 -18.113 411 HG2 GLN 71 HG2 GLN 71 -1.206 21.423 -18.604 412 HG3 GLN 71 HG3 GLN 71 0.366 21.293 -19.371 413 HE21 GLN 71 HE22 GLN 71 -0.077 22.945 -20.951 414 HE22 GLN 71 HE21 GLN 71 -1.183 22.630 -22.278 415 H HIS 72 H HIS 72 -0.806 16.347 -20.751 416 HA HIS 72 HA HIS 72 0.053 14.748 -18.549 417 HB2 HIS 72 HB2 HIS 72 -1.432 13.272 -19.326 418 HB3 HIS 72 HB3 HIS 72 -1.907 14.498 -20.472 419 HD2 HIS 72 HD2 HIS 72 -0.758 10.983 -20.345 420 HE1 HIS 72 HE1 HIS 72 0.456 12.237 -24.234 421 HE2 HIS 72 HE2 HIS 72 0.144 10.226 -22.706 422 H MET 73 H MET 73 1.649 15.685 -21.453 423 HA MET 73 HA MET 73 3.638 13.486 -21.336 424 HB2 MET 73 HB2 MET 73 2.463 13.867 -23.469 425 HB3 MET 73 HB3 MET 73 3.042 15.536 -23.498 426 HG2 MET 73 HG2 MET 73 4.392 14.148 -24.949 427 HG3 MET 73 HG3 MET 73 5.371 14.738 -23.609 428 HE1 MET 73 HE1 MET 73 7.171 13.059 -24.426 429 HE2 MET 73 HE2 MET 73 6.991 11.288 -24.464 430 HE3 MET 73 HE3 MET 73 6.142 12.296 -25.656 431 H VAL 74 H VAL 74 5.590 13.863 -20.537 432 HA VAL 74 HA VAL 74 6.372 16.595 -19.691 433 HB VAL 74 HB VAL 74 7.538 13.904 -18.844 434 HG11 VAL 74 HG11 VAL 74 7.685 16.607 -17.470 435 HG12 VAL 74 HG12 VAL 74 8.433 15.103 -16.941 436 HG13 VAL 74 HG13 VAL 74 9.001 15.877 -18.417 437 HG21 VAL 74 HG21 VAL 74 6.214 14.225 -16.746 438 HG22 VAL 74 HG22 VAL 74 5.376 15.593 -17.512 439 HG23 VAL 74 HG23 VAL 74 5.186 13.943 -18.146 440 H TYR 75 H TYR 75 8.195 17.538 -20.311 441 HA TYR 75 HA TYR 75 10.182 16.222 -22.086 442 HB2 TYR 75 HB2 TYR 75 8.617 18.757 -22.681 443 HB3 TYR 75 HB3 TYR 75 10.201 18.429 -23.384 444 HD1 TYR 75 HD2 TYR 75 10.540 16.020 -24.389 445 HD2 TYR 75 HD1 TYR 75 6.729 18.004 -23.968 446 HE1 TYR 75 HE2 TYR 75 9.580 14.520 -26.091 447 HE2 TYR 75 HE1 TYR 75 5.784 16.548 -25.755 448 HH TYR 75 HH TYR 75 6.188 14.851 -27.264 449 H CYS 76 H CYS 76 11.630 16.145 -20.581 450 HA CYS 76 HA CYS 76 12.486 18.374 -18.859 451 HB2 CYS 76 HB2 CYS 76 13.178 15.437 -19.132 452 HB3 CYS 76 HB3 CYS 76 13.975 16.500 -17.959 453 HG CYS 76 HG CYS 76 12.176 15.026 -16.722 454 H GLY 77 H GLY 77 13.016 18.702 -21.758 455 HA2 GLY 77 HA2 GLY 77 15.526 17.726 -22.527 456 HA3 GLY 77 HA3 GLY 77 14.745 19.135 -23.244 457 H GLY 78 H GLY 78 17.477 18.099 -21.756 458 HA2 GLY 78 HA2 GLY 78 19.369 19.134 -21.002 459 HA3 GLY 78 HA3 GLY 78 18.621 20.707 -21.275 460 H ASP 79 H ASP 79 16.753 18.643 -19.061 461 HA ASP 79 HA ASP 79 17.587 20.447 -16.883 462 HB2 ASP 79 HB2 ASP 79 15.189 20.263 -17.634 463 HB3 ASP 79 HB3 ASP 79 15.188 18.607 -17.018 464 H LEU 80 H LEU 80 18.138 19.726 -14.847 465 HA LEU 80 HA LEU 80 19.794 17.458 -14.690 466 HB2 LEU 80 HB2 LEU 80 19.904 19.604 -13.359 467 HB3 LEU 80 HB3 LEU 80 18.561 19.003 -12.385 468 HG LEU 80 HG LEU 80 19.956 17.107 -11.637 469 HD11 LEU 80 HD11 LEU 80 22.140 18.328 -13.365 470 HD12 LEU 80 HD12 LEU 80 22.417 17.113 -12.097 471 HD13 LEU 80 HD13 LEU 80 21.440 16.695 -13.499 472 HD21 LEU 80 HD21 LEU 80 20.032 19.318 -10.428 473 HD22 LEU 80 HD22 LEU 80 21.512 18.366 -10.245 474 HD23 LEU 80 HD23 LEU 80 21.469 19.741 -11.373 475 H LEU 81 H LEU 81 16.340 17.779 -14.210 476 HA LEU 81 HA LEU 81 15.908 15.264 -12.824 477 HB2 LEU 81 HB2 LEU 81 14.268 17.059 -12.781 478 HB3 LEU 81 HB3 LEU 81 14.131 17.049 -14.540 479 HG LEU 81 HG LEU 81 13.171 14.732 -14.431 480 HD11 LEU 81 HD11 LEU 81 12.411 13.853 -12.217 481 HD12 LEU 81 HD12 LEU 81 14.169 13.899 -12.339 482 HD13 LEU 81 HD13 LEU 81 13.314 15.149 -11.408 483 HD21 LEU 81 HD21 LEU 81 11.709 16.794 -14.314 484 HD22 LEU 81 HD22 LEU 81 11.005 15.305 -13.666 485 HD23 LEU 81 HD23 LEU 81 11.638 16.528 -12.551 486 H GLY 82 H GLY 82 16.029 16.185 -16.310 487 HA2 GLY 82 HA2 GLY 82 15.340 13.537 -17.349 488 HA3 GLY 82 HA3 GLY 82 16.135 14.853 -18.223 489 H GLU 83 H GLU 83 18.438 15.229 -16.488 490 HA GLU 83 HA GLU 83 20.177 13.126 -17.354 491 HB2 GLU 83 HB2 GLU 83 20.967 15.347 -17.091 492 HB3 GLU 83 HB3 GLU 83 20.244 15.500 -15.501 493 HG2 GLU 83 HG2 GLU 83 22.592 15.394 -15.293 494 HG3 GLU 83 HG3 GLU 83 21.801 14.032 -14.507 495 H LEU 84 H LEU 84 18.533 13.768 -14.206 496 HA LEU 84 HA LEU 84 19.691 11.562 -12.821 497 HB2 LEU 84 HB2 LEU 84 18.680 13.426 -11.647 498 HB3 LEU 84 HB3 LEU 84 17.119 13.134 -12.407 499 HG LEU 84 HG LEU 84 16.856 11.013 -11.191 500 HD11 LEU 84 HD11 LEU 84 19.557 11.712 -9.963 501 HD12 LEU 84 HD12 LEU 84 18.443 10.473 -9.326 502 HD13 LEU 84 HD13 LEU 84 19.168 10.272 -10.919 503 HD21 LEU 84 HD21 LEU 84 17.629 13.300 -9.348 504 HD22 LEU 84 HD22 LEU 84 16.067 13.129 -10.183 505 HD23 LEU 84 HD23 LEU 84 16.552 11.942 -8.962 506 H LEU 85 H LEU 85 16.538 11.855 -14.515 507 HA LEU 85 HA LEU 85 15.761 9.106 -13.992 508 HB2 LEU 85 HB2 LEU 85 14.724 11.207 -15.933 509 HB3 LEU 85 HB3 LEU 85 13.963 9.641 -15.701 510 HG LEU 85 HG LEU 85 14.295 11.712 -13.480 511 HD11 LEU 85 HD11 LEU 85 11.869 10.952 -15.166 512 HD12 LEU 85 HD12 LEU 85 11.873 12.089 -13.802 513 HD13 LEU 85 HD13 LEU 85 12.783 12.472 -15.273 514 HD21 LEU 85 HD21 LEU 85 12.599 10.362 -12.298 515 HD22 LEU 85 HD22 LEU 85 12.659 9.151 -13.592 516 HD23 LEU 85 HD23 LEU 85 14.081 9.437 -12.563 517 H GLY 86 H GLY 86 17.748 10.546 -16.492 518 HA2 GLY 86 HA2 GLY 86 19.195 9.391 -17.914 519 HA3 GLY 86 HA3 GLY 86 18.360 7.870 -17.584 520 H ARG 87 H ARG 87 16.003 10.081 -18.253 521 HA ARG 87 HA ARG 87 16.229 10.276 -21.136 522 HB2 ARG 87 HB2 ARG 87 13.809 9.390 -21.461 523 HB3 ARG 87 HB3 ARG 87 15.118 8.244 -21.344 524 HG2 ARG 87 HG2 ARG 87 14.555 7.798 -18.963 525 HG3 ARG 87 HG3 ARG 87 13.201 8.930 -19.065 526 HD2 ARG 87 HD2 ARG 87 13.497 6.521 -20.916 527 HD3 ARG 87 HD3 ARG 87 12.761 6.402 -19.321 528 HE ARG 87 HE ARG 87 11.615 8.507 -21.042 529 HH11 ARG 87 HH11 ARG 87 11.142 5.090 -20.125 530 HH12 ARG 87 HH12 ARG 87 9.446 5.228 -20.594 531 HH21 ARG 87 HH21 ARG 87 9.559 8.387 -21.674 532 HH22 ARG 87 HH22 ARG 87 8.628 6.889 -21.392 533 H GLN 88 H GLN 88 15.076 11.819 -22.072 534 HA GLN 88 HA GLN 88 14.273 13.955 -20.197 535 HB2 GLN 88 HB2 GLN 88 15.103 13.978 -23.114 536 HB3 GLN 88 HB3 GLN 88 14.593 15.424 -22.218 537 HG2 GLN 88 HG2 GLN 88 16.353 15.214 -20.626 538 HG3 GLN 88 HG3 GLN 88 16.823 13.616 -21.222 539 HE21 GLN 88 HE22 GLN 88 17.727 13.498 -23.527 540 HE22 GLN 88 HE21 GLN 88 18.619 14.907 -24.081 541 H SER 89 H SER 89 12.552 11.619 -21.747 542 HA SER 89 HA SER 89 10.160 13.281 -21.335 543 HB2 SER 89 HB2 SER 89 9.091 12.650 -23.479 544 HB3 SER 89 HB3 SER 89 10.472 13.731 -23.630 545 HG SER 89 HG SER 89 10.479 10.905 -24.131 546 H PHE 90 H PHE 90 8.371 12.336 -20.723 547 HA PHE 90 HA PHE 90 7.752 9.523 -20.843 548 HB2 PHE 90 HB2 PHE 90 7.796 9.053 -18.469 549 HB3 PHE 90 HB3 PHE 90 9.401 9.445 -19.026 550 HD1 PHE 90 HD1 PHE 90 10.513 11.564 -18.351 551 HD2 PHE 90 HD2 PHE 90 6.635 10.442 -16.825 552 HE1 PHE 90 HE1 PHE 90 10.752 13.212 -16.513 553 HE2 PHE 90 HE2 PHE 90 6.889 12.090 -14.986 554 HZ PHE 90 HZ PHE 90 8.950 13.477 -14.830 555 H SER 91 H SER 91 5.636 9.236 -19.313 556 HA SER 91 HA SER 91 4.075 11.760 -19.202 557 HB2 SER 91 HB2 SER 91 2.332 10.975 -20.614 558 HB3 SER 91 HB3 SER 91 3.831 10.691 -21.508 559 HG SER 91 HG SER 91 2.784 8.777 -21.639 560 H VAL 92 H VAL 92 1.810 11.297 -18.305 561 HA VAL 92 HA VAL 92 1.972 9.576 -15.958 562 HB VAL 92 HB VAL 92 -0.338 10.194 -15.511 563 HG11 VAL 92 HG11 VAL 92 1.286 12.620 -16.389 564 HG12 VAL 92 HG12 VAL 92 0.029 12.548 -15.142 565 HG13 VAL 92 HG13 VAL 92 1.564 11.696 -14.897 566 HG21 VAL 92 HG21 VAL 92 -1.538 11.795 -16.935 567 HG22 VAL 92 HG22 VAL 92 -0.240 11.725 -18.142 568 HG23 VAL 92 HG23 VAL 92 -1.244 10.289 -17.816 569 H LYS 93 H LYS 93 1.404 8.779 -19.189 570 HA LYS 93 HA LYS 93 -0.026 6.241 -18.509 571 HB2 LYS 93 HB2 LYS 93 0.666 7.489 -21.198 572 HB3 LYS 93 HB3 LYS 93 -0.097 5.912 -20.968 573 HG2 LYS 93 HG2 LYS 93 -1.989 7.012 -19.759 574 HG3 LYS 93 HG3 LYS 93 -1.266 8.594 -20.105 575 HD2 LYS 93 HD2 LYS 93 -1.432 8.129 -22.547 576 HD3 LYS 93 HD3 LYS 93 -2.163 6.550 -22.187 577 HE2 LYS 93 HE2 LYS 93 -4.026 7.702 -20.989 578 HE3 LYS 93 HE3 LYS 93 -3.312 9.269 -21.393 579 HZ1 LYS 93 HZ1 LYS 93 -4.288 7.275 -23.379 580 HZ2 LYS 93 HZ2 LYS 93 -5.058 8.652 -22.973 581 HZ3 LYS 93 HZ3 LYS 93 -3.631 8.723 -23.759 582 H ASP 94 H ASP 94 3.137 7.474 -19.320 583 HA ASP 94 HA ASP 94 4.261 4.734 -18.916 584 HB2 ASP 94 HB2 ASP 94 4.474 5.492 -21.262 585 HB3 ASP 94 HB3 ASP 94 5.346 6.926 -20.720 586 HA PRO 95 HA PRO 95 5.811 7.811 -15.729 587 HB2 PRO 95 HB2 PRO 95 4.762 6.864 -13.423 588 HB3 PRO 95 HB3 PRO 95 3.774 7.770 -14.606 589 HG2 PRO 95 HG2 PRO 95 4.030 4.740 -14.365 590 HG3 PRO 95 HG3 PRO 95 2.522 5.716 -14.359 591 HD2 PRO 95 HD2 PRO 95 3.468 4.584 -16.644 592 HD3 PRO 95 HD3 PRO 95 2.722 6.212 -16.640 593 H SER 96 H SER 96 6.511 4.667 -16.498 594 HA SER 96 HA SER 96 7.748 3.380 -14.486 595 HB2 SER 96 HB2 SER 96 8.764 3.534 -17.340 596 HB3 SER 96 HB3 SER 96 9.103 2.243 -16.169 597 HG SER 96 HG SER 96 7.322 1.752 -17.588 598 HA PRO 97 HA PRO 97 12.051 5.512 -15.125 599 HB2 PRO 97 HB2 PRO 97 11.078 8.371 -15.348 600 HB3 PRO 97 HB3 PRO 97 12.602 7.640 -15.958 601 HG2 PRO 97 HG2 PRO 97 10.578 8.010 -17.675 602 HG3 PRO 97 HG3 PRO 97 11.399 6.413 -17.647 603 HD2 PRO 97 HD2 PRO 97 8.814 7.193 -16.289 604 HD3 PRO 97 HD3 PRO 97 9.148 5.779 -17.331 605 H LEU 98 H LEU 98 9.396 7.159 -13.409 606 HA LEU 98 HA LEU 98 10.751 7.977 -11.012 607 HB2 LEU 98 HB2 LEU 98 8.466 8.691 -11.656 608 HB3 LEU 98 HB3 LEU 98 7.929 7.024 -11.663 609 HG LEU 98 HG LEU 98 8.491 7.020 -9.114 610 HD11 LEU 98 HD11 LEU 98 9.583 9.313 -9.207 611 HD12 LEU 98 HD12 LEU 98 7.981 9.991 -9.533 612 HD13 LEU 98 HD13 LEU 98 8.296 9.144 -7.999 613 HD21 LEU 98 HD21 LEU 98 6.131 8.606 -10.192 614 HD22 LEU 98 HD22 LEU 98 6.240 6.837 -10.113 615 HD23 LEU 98 HD23 LEU 98 6.238 7.766 -8.619 616 H TYR 99 H TYR 99 8.876 5.006 -11.745 617 HA TYR 99 HA TYR 99 9.555 3.839 -9.239 618 HB2 TYR 99 HB2 TYR 99 8.438 2.508 -11.757 619 HB3 TYR 99 HB3 TYR 99 8.420 1.809 -10.144 620 HD1 TYR 99 HD1 TYR 99 7.156 3.075 -8.272 621 HD2 TYR 99 HD2 TYR 99 6.615 3.888 -12.481 622 HE1 TYR 99 HE1 TYR 99 4.942 4.123 -7.796 623 HE2 TYR 99 HE2 TYR 99 4.403 4.895 -12.001 624 HH TYR 99 HH TYR 99 2.834 5.403 -10.399 625 H ASP 100 H ASP 100 11.107 3.564 -12.441 626 HA ASP 100 HA ASP 100 12.859 1.428 -11.710 627 HB2 ASP 100 HB2 ASP 100 12.352 2.354 -14.024 628 HB3 ASP 100 HB3 ASP 100 13.496 3.641 -13.677 629 H MET 101 H MET 101 13.046 4.917 -11.185 630 HA MET 101 HA MET 101 15.718 4.974 -10.065 631 HB2 MET 101 HB2 MET 101 15.073 7.045 -10.767 632 HB3 MET 101 HB3 MET 101 13.371 6.780 -10.431 633 HG2 MET 101 HG2 MET 101 13.824 7.011 -8.017 634 HG3 MET 101 HG3 MET 101 15.479 7.512 -8.421 635 HE1 MET 101 HE1 MET 101 12.184 8.810 -7.262 636 HE2 MET 101 HE2 MET 101 11.590 9.905 -8.505 637 HE3 MET 101 HE3 MET 101 11.653 8.141 -8.825 638 H LEU 102 H LEU 102 12.433 4.433 -8.719 639 HA LEU 102 HA LEU 102 13.463 4.360 -5.982 640 HB2 LEU 102 HB2 LEU 102 10.692 3.947 -7.152 641 HB3 LEU 102 HB3 LEU 102 11.037 4.037 -5.425 642 HG LEU 102 HG LEU 102 11.736 6.287 -7.362 643 HD11 LEU 102 HD11 LEU 102 9.270 5.817 -7.263 644 HD12 LEU 102 HD12 LEU 102 9.345 6.162 -5.521 645 HD13 LEU 102 HD13 LEU 102 9.757 7.424 -6.705 646 HD21 LEU 102 HD21 LEU 102 11.900 7.655 -5.353 647 HD22 LEU 102 HD22 LEU 102 11.482 6.256 -4.336 648 HD23 LEU 102 HD23 LEU 102 13.014 6.312 -5.245 649 H ARG 103 H ARG 103 12.402 1.819 -8.231 650 HA ARG 103 HA ARG 103 12.325 -0.358 -6.445 651 HB2 ARG 103 HB2 ARG 103 12.632 -1.793 -8.378 652 HB3 ARG 103 HB3 ARG 103 11.541 -0.459 -8.729 653 HG2 ARG 103 HG2 ARG 103 12.701 -0.513 -10.658 654 HG3 ARG 103 HG3 ARG 103 13.599 0.698 -9.759 655 HD2 ARG 103 HD2 ARG 103 15.196 -0.609 -10.906 656 HD3 ARG 103 HD3 ARG 103 15.325 -1.088 -9.228 657 HE ARG 103 HE ARG 103 14.448 -3.202 -9.725 658 HH11 ARG 103 HH11 ARG 103 14.281 -1.252 -12.712 659 HH12 ARG 103 HH12 ARG 103 13.979 -2.679 -13.655 660 HH21 ARG 103 HH21 ARG 103 14.048 -4.907 -11.056 661 HH22 ARG 103 HH22 ARG 103 13.850 -4.664 -12.765 662 H LYS 104 H LYS 104 15.049 1.241 -7.780 663 HA LYS 104 HA LYS 104 17.179 -0.519 -6.995 664 HB2 LYS 104 HB2 LYS 104 17.327 1.301 -8.657 665 HB3 LYS 104 HB3 LYS 104 17.104 2.503 -7.375 666 HG2 LYS 104 HG2 LYS 104 19.239 1.947 -6.381 667 HG3 LYS 104 HG3 LYS 104 19.412 0.518 -7.410 668 HD2 LYS 104 HD2 LYS 104 20.839 2.379 -8.157 669 HD3 LYS 104 HD3 LYS 104 19.676 1.892 -9.397 670 HE2 LYS 104 HE2 LYS 104 18.232 3.812 -8.868 671 HE3 LYS 104 HE3 LYS 104 19.277 4.262 -7.512 672 HZ1 LYS 104 HZ1 LYS 104 19.782 5.591 -9.493 673 HZ2 LYS 104 HZ2 LYS 104 21.076 4.675 -9.117 674 HZ3 LYS 104 HZ3 LYS 104 20.118 4.256 -10.373 675 H ASN 105 H ASN 105 15.291 1.841 -5.123 676 HA ASN 105 HA ASN 105 17.053 1.372 -2.758 677 HB2 ASN 105 HB2 ASN 105 16.313 3.671 -3.305 678 HB3 ASN 105 HB3 ASN 105 14.647 3.208 -2.975 679 HD21 ASN 105 HD22 ASN 105 14.167 2.441 -0.675 680 HD22 ASN 105 HD21 ASN 105 15.168 3.124 0.595 681 H LEU 106 H LEU 106 13.460 1.220 -3.261 682 HA LEU 106 HA LEU 106 13.429 -1.196 -1.504 683 HB2 LEU 106 HB2 LEU 106 11.508 -0.563 -0.404 684 HB3 LEU 106 HB3 LEU 106 12.543 0.844 -0.325 685 HG LEU 106 HG LEU 106 10.169 0.507 -2.238 686 HD11 LEU 106 HD11 LEU 106 10.389 2.053 0.367 687 HD12 LEU 106 HD12 LEU 106 9.000 2.062 -0.745 688 HD13 LEU 106 HD13 LEU 106 9.451 0.574 0.096 689 HD21 LEU 106 HD21 LEU 106 10.333 2.976 -2.496 690 HD22 LEU 106 HD22 LEU 106 11.839 2.974 -1.558 691 HD23 LEU 106 HD23 LEU 106 11.741 2.152 -3.141 692 H VAL 107 H VAL 107 11.968 -2.841 -1.957 693 HA VAL 107 HA VAL 107 11.128 -3.156 -4.725 694 HB VAL 107 HB VAL 107 10.372 -4.782 -2.263 695 HG11 VAL 107 HG11 VAL 107 10.083 -5.415 -5.239 696 HG12 VAL 107 HG12 VAL 107 9.804 -6.558 -3.908 697 HG13 VAL 107 HG13 VAL 107 8.751 -5.156 -4.087 698 HG21 VAL 107 HG21 VAL 107 12.051 -6.396 -3.122 699 HG22 VAL 107 HG22 VAL 107 12.497 -5.251 -4.406 700 HG23 VAL 107 HG23 VAL 107 12.804 -4.857 -2.701 701 H THR 108 H THR 108 9.303 -2.471 -5.665 702 HA THR 108 HA THR 108 6.841 -1.964 -4.142 703 HB THR 108 HB THR 108 8.151 0.111 -3.892 704 HG1 THR 108 HG1 THR 108 6.410 1.382 -4.285 705 HG21 THR 108 HG21 THR 108 7.751 0.490 -6.889 706 HG22 THR 108 HG22 THR 108 8.383 1.688 -5.741 707 HG23 THR 108 HG23 THR 108 9.313 0.220 -6.079 708 H LEU 109 H LEU 109 5.265 -0.822 -5.792 709 HA LEU 109 HA LEU 109 4.613 -2.966 -7.646 710 HB2 LEU 109 HB2 LEU 109 3.279 -0.266 -7.210 711 HB3 LEU 109 HB3 LEU 109 2.593 -1.609 -8.117 712 HG LEU 109 HG LEU 109 3.182 -1.606 -5.122 713 HD11 LEU 109 HD11 LEU 109 0.550 -1.556 -6.655 714 HD12 LEU 109 HD12 LEU 109 0.741 -1.619 -4.888 715 HD13 LEU 109 HD13 LEU 109 1.275 -0.187 -5.782 716 HD21 LEU 109 HD21 LEU 109 1.865 -3.732 -6.872 717 HD22 LEU 109 HD22 LEU 109 3.403 -3.892 -5.990 718 HD23 LEU 109 HD23 LEU 109 1.891 -3.735 -5.095 719 H ALA 110 H ALA 110 4.216 -2.862 -9.861 720 HA ALA 110 HA ALA 110 5.202 -0.633 -11.494 721 HB1 ALA 110 HB1 ALA 110 6.758 -2.039 -12.758 722 HB2 ALA 110 HB2 ALA 110 7.254 -1.974 -11.053 723 HB3 ALA 110 HB3 ALA 110 6.421 -3.418 -11.691 724 H THR 111 H THR 111 5.024 -1.332 -13.918 725 HA THR 111 HA THR 111 2.786 -3.143 -14.519 726 HB THR 111 HB THR 111 1.813 -1.077 -13.561 727 HG1 THR 111 HG1 THR 111 0.540 -2.273 -14.927 728 HG21 THR 111 HG21 THR 111 3.341 0.638 -14.488 729 HG22 THR 111 HG22 THR 111 2.719 0.310 -16.123 730 HG23 THR 111 HG23 THR 111 1.645 0.967 -14.873 731 HD1 49H 200 HD1 49H 200 1.666 13.645 -13.243 732 HD2 49H 200 HD2 49H 200 2.233 12.611 -9.100 733 HD3 49H 200 HD3 49H 200 0.330 11.116 -12.891 734 HD4 49H 200 HD4 49H 200 -1.044 10.993 -8.816 735 HD5 49H 200 HD5 49H 200 -2.931 13.532 -14.218 736 HE1 49H 200 HE1 49H 200 3.927 12.792 -13.762 737 HE2 49H 200 HE2 49H 200 4.490 11.761 -9.638 738 HE4 49H 200 HE4 49H 200 -0.473 8.588 -8.699 739 HE5 49H 200 HE5 49H 200 -3.511 14.437 -16.405 740 HE6 49H 200 HE6 49H 200 -0.126 17.048 -16.269 741 HZ2 49H 200 HZ2 49H 200 0.518 7.445 -10.671 742 HM11 49H 200 HM11 49H 200 -3.473 16.838 -19.246 743 HM12 49H 200 HM12 49H 200 -3.570 15.178 -18.601 744 HM13 49H 200 HM13 49H 200 -4.258 16.545 -17.670 745 HM21 49H 200 HM21 49H 200 1.745 15.278 -16.440 746 HM22 49H 200 HM22 49H 200 3.388 15.869 -16.208 747 HM23 49H 200 HM23 49H 200 2.760 14.584 -15.169 748 HM31 49H 200 HM31 49H 200 3.933 17.333 -14.093 749 HM32 49H 200 HM32 49H 200 2.679 17.548 -12.871 750 HM33 49H 200 HM33 49H 200 3.385 15.948 -13.135 751 HN1 49H 200 HN1 49H 200 -3.194 20.060 -11.179 752 H21 49H 200 H21 49H 200 -2.990 17.697 -9.961 753 H22 49H 200 H22 49H 200 -4.017 17.845 -11.401 754 H31 49H 200 H31 49H 200 -2.428 15.928 -11.451 755 H32 49H 200 H32 49H 200 -2.257 17.026 -12.840 756 H41 49H 200 H41 49H 200 0.429 18.721 -12.305 757 H42 49H 200 H42 49H 200 0.407 18.677 -10.530 758 H7 49H 200 H7 49H 200 -1.498 12.908 -10.132 759 H8 49H 200 H8 49H 200 0.402 14.041 -9.723 760 H9 49H 200 H9 49H 200 1.753 17.503 -15.227 Start of MODEL 7 1 H1 GLN 23 H GLN 23 13.049 4.843 12.342 2 HA GLN 23 HA GLN 23 14.292 5.531 9.847 3 HB2 GLN 23 HB2 GLN 23 15.396 3.425 9.324 4 HB3 GLN 23 HB3 GLN 23 16.127 4.202 10.725 5 HG2 GLN 23 HG2 GLN 23 14.849 2.637 12.227 6 HG3 GLN 23 HG3 GLN 23 14.210 1.825 10.794 7 HE21 GLN 23 HE22 GLN 23 15.833 0.724 9.329 8 HE22 GLN 23 HE21 GLN 23 17.333 0.168 10.057 9 H ILE 24 H ILE 24 13.340 4.530 7.985 10 HA ILE 24 HA ILE 24 10.835 2.986 8.370 11 HB ILE 24 HB ILE 24 9.862 4.559 6.660 12 HG12 ILE 24 HG12 ILE 24 12.102 6.437 7.558 13 HG13 ILE 24 HG13 ILE 24 11.893 5.752 5.947 14 HG21 ILE 24 HG21 ILE 24 10.314 5.766 9.402 15 HG22 ILE 24 HG22 ILE 24 8.938 6.046 8.305 16 HG23 ILE 24 HG23 ILE 24 9.172 4.452 9.023 17 HD11 ILE 24 HD11 ILE 24 10.164 7.830 7.334 18 HD12 ILE 24 HD12 ILE 24 11.148 8.020 5.874 19 HD13 ILE 24 HD13 ILE 24 9.676 7.024 5.831 20 H ASN 25 H ASN 25 9.895 2.314 6.324 21 HA ASN 25 HA ASN 25 11.901 0.864 4.878 22 HB2 ASN 25 HB2 ASN 25 8.883 0.824 4.535 23 HB3 ASN 25 HB3 ASN 25 10.023 -0.449 4.080 24 HD21 ASN 25 HD22 ASN 25 11.504 -1.096 6.199 25 HD22 ASN 25 HD21 ASN 25 10.538 -1.323 7.649 26 H GLN 26 H GLN 26 12.206 3.458 4.222 27 HA GLN 26 HA GLN 26 11.219 3.898 1.423 28 HB2 GLN 26 HB2 GLN 26 11.545 6.134 3.439 29 HB3 GLN 26 HB3 GLN 26 10.636 6.106 1.930 30 HG2 GLN 26 HG2 GLN 26 9.920 4.787 4.550 31 HG3 GLN 26 HG3 GLN 26 9.081 6.129 3.797 32 HE21 GLN 26 HE22 GLN 26 7.875 3.570 4.636 33 HE22 GLN 26 HE21 GLN 26 7.361 2.754 3.170 34 H VAL 27 H VAL 27 12.325 6.135 0.739 35 HA VAL 27 HA VAL 27 15.187 5.450 0.419 36 HB VAL 27 HB VAL 27 13.619 7.518 -1.128 37 HG11 VAL 27 HG11 VAL 27 16.229 6.087 -1.665 38 HG12 VAL 27 HG12 VAL 27 15.278 6.831 -2.968 39 HG13 VAL 27 HG13 VAL 27 15.877 7.835 -1.676 40 HG21 VAL 27 HG21 VAL 27 13.859 4.522 -1.657 41 HG22 VAL 27 HG22 VAL 27 12.367 5.471 -1.475 42 HG23 VAL 27 HG23 VAL 27 13.367 5.691 -2.901 43 H ARG 28 H ARG 28 16.526 7.481 0.062 44 HA ARG 28 HA ARG 28 16.138 9.888 1.516 45 HB2 ARG 28 HB2 ARG 28 16.607 8.219 3.403 46 HB3 ARG 28 HB3 ARG 28 18.163 7.864 2.688 47 HG2 ARG 28 HG2 ARG 28 17.277 10.450 4.010 48 HG3 ARG 28 HG3 ARG 28 18.315 9.207 4.681 49 HD2 ARG 28 HD2 ARG 28 19.936 9.784 2.737 50 HD3 ARG 28 HD3 ARG 28 18.918 11.243 2.557 51 HE ARG 28 HE ARG 28 19.621 10.985 5.288 52 HH11 ARG 28 HH11 ARG 28 21.232 11.856 2.268 53 HH12 ARG 28 HH12 ARG 28 22.472 12.740 3.118 54 HH21 ARG 28 HH21 ARG 28 21.220 12.155 6.261 55 HH22 ARG 28 HH22 ARG 28 22.450 12.923 5.303 56 HA PRO 29 HA PRO 29 19.129 10.221 -1.806 57 HB2 PRO 29 HB2 PRO 29 18.962 12.845 -2.368 58 HB3 PRO 29 HB3 PRO 29 17.495 11.830 -2.370 59 HG2 PRO 29 HG2 PRO 29 18.545 13.560 -0.087 60 HG3 PRO 29 HG3 PRO 29 16.934 13.609 -0.842 61 HD2 PRO 29 HD2 PRO 29 17.483 12.140 1.419 62 HD3 PRO 29 HD3 PRO 29 16.309 11.580 0.211 63 H LYS 30 H LYS 30 20.924 11.447 -2.647 64 HA LYS 30 HA LYS 30 22.990 12.388 -0.701 65 HB2 LYS 30 HB2 LYS 30 23.476 10.492 -2.327 66 HB3 LYS 30 HB3 LYS 30 23.256 11.633 -3.655 67 HG2 LYS 30 HG2 LYS 30 25.171 12.986 -2.770 68 HG3 LYS 30 HG3 LYS 30 25.348 11.828 -1.436 69 HD2 LYS 30 HD2 LYS 30 25.787 10.019 -3.095 70 HD3 LYS 30 HD3 LYS 30 25.621 11.201 -4.413 71 HE2 LYS 30 HE2 LYS 30 27.524 12.505 -3.484 72 HE3 LYS 30 HE3 LYS 30 27.676 11.349 -2.154 73 HZ1 LYS 30 HZ1 LYS 30 28.206 9.623 -3.800 74 HZ2 LYS 30 HZ2 LYS 30 28.067 10.688 -5.032 75 HZ3 LYS 30 HZ3 LYS 30 29.258 10.860 -3.933 76 H LEU 31 H LEU 31 24.119 14.458 -1.398 77 HA LEU 31 HA LEU 31 22.243 16.493 -1.549 78 HB2 LEU 31 HB2 LEU 31 25.192 16.676 -2.266 79 HB3 LEU 31 HB3 LEU 31 24.144 18.047 -1.933 80 HG LEU 31 HG LEU 31 24.864 15.851 0.055 81 HD11 LEU 31 HD11 LEU 31 26.732 17.369 -0.495 82 HD12 LEU 31 HD12 LEU 31 25.712 18.772 -0.106 83 HD13 LEU 31 HD13 LEU 31 26.163 17.612 1.163 84 HD21 LEU 31 HD21 LEU 31 22.648 16.731 0.610 85 HD22 LEU 31 HD22 LEU 31 23.835 17.374 1.743 86 HD23 LEU 31 HD23 LEU 31 23.233 18.403 0.426 87 HA PRO 32 HA PRO 32 22.734 17.307 -6.231 88 HB2 PRO 32 HB2 PRO 32 23.374 14.565 -7.295 89 HB3 PRO 32 HB3 PRO 32 23.917 16.166 -7.887 90 HG2 PRO 32 HG2 PRO 32 25.614 14.598 -6.484 91 HG3 PRO 32 HG3 PRO 32 25.520 16.354 -6.113 92 HD2 PRO 32 HD2 PRO 32 24.106 14.067 -4.700 93 HD3 PRO 32 HD3 PRO 32 25.103 15.371 -3.992 94 H LEU 33 H LEU 33 21.544 14.157 -5.098 95 HA LEU 33 HA LEU 33 19.188 14.099 -6.852 96 HB2 LEU 33 HB2 LEU 33 20.205 12.446 -4.519 97 HB3 LEU 33 HB3 LEU 33 18.540 12.299 -5.060 98 HG LEU 33 HG LEU 33 19.232 11.655 -7.296 99 HD11 LEU 33 HD11 LEU 33 21.395 12.747 -7.577 100 HD12 LEU 33 HD12 LEU 33 22.088 11.807 -6.229 101 HD13 LEU 33 HD13 LEU 33 21.611 11.006 -7.741 102 HD21 LEU 33 HD21 LEU 33 18.897 9.940 -5.543 103 HD22 LEU 33 HD22 LEU 33 20.111 9.434 -6.727 104 HD23 LEU 33 HD23 LEU 33 20.626 10.021 -5.131 105 H LEU 34 H LEU 34 19.879 15.070 -3.483 106 HA LEU 34 HA LEU 34 17.209 15.833 -2.792 107 HB2 LEU 34 HB2 LEU 34 19.013 15.535 -1.180 108 HB3 LEU 34 HB3 LEU 34 19.907 16.882 -1.828 109 HG LEU 34 HG LEU 34 17.120 17.442 -0.698 110 HD11 LEU 34 HD11 LEU 34 18.117 17.716 1.527 111 HD12 LEU 34 HD12 LEU 34 18.198 16.030 1.001 112 HD13 LEU 34 HD13 LEU 34 19.656 17.045 0.942 113 HD21 LEU 34 HD21 LEU 34 19.774 18.966 -0.588 114 HD22 LEU 34 HD22 LEU 34 18.499 19.281 -1.773 115 HD23 LEU 34 HD23 LEU 34 18.184 19.550 -0.057 116 H LYS 35 H LYS 35 19.775 17.623 -4.528 117 HA LYS 35 HA LYS 35 18.734 20.195 -4.434 118 HB2 LYS 35 HB2 LYS 35 20.894 18.968 -5.664 119 HB3 LYS 35 HB3 LYS 35 19.915 19.335 -7.067 120 HG2 LYS 35 HG2 LYS 35 21.280 21.234 -6.823 121 HG3 LYS 35 HG3 LYS 35 19.742 21.737 -6.125 122 HD2 LYS 35 HD2 LYS 35 21.370 22.498 -4.596 123 HD3 LYS 35 HD3 LYS 35 20.732 21.028 -3.830 124 HE2 LYS 35 HE2 LYS 35 22.665 19.732 -4.582 125 HE3 LYS 35 HE3 LYS 35 23.256 21.097 -5.541 126 HZ1 LYS 35 HZ1 LYS 35 23.032 21.097 -2.570 127 HZ2 LYS 35 HZ2 LYS 35 24.426 20.956 -3.414 128 HZ3 LYS 35 HZ3 LYS 35 23.579 22.344 -3.473 129 H ILE 36 H ILE 36 17.881 17.708 -6.763 130 HA ILE 36 HA ILE 36 16.206 19.255 -8.487 131 HB ILE 36 HB ILE 36 16.192 16.274 -7.866 132 HG12 ILE 36 HG12 ILE 36 17.546 17.664 -10.220 133 HG13 ILE 36 HG13 ILE 36 18.401 17.349 -8.716 134 HG21 ILE 36 HG21 ILE 36 14.109 16.963 -9.056 135 HG22 ILE 36 HG22 ILE 36 15.097 17.724 -10.318 136 HG23 ILE 36 HG23 ILE 36 15.139 15.968 -10.079 137 HD11 ILE 36 HD11 ILE 36 17.306 15.295 -10.625 138 HD12 ILE 36 HD12 ILE 36 18.975 15.558 -10.081 139 HD13 ILE 36 HD13 ILE 36 17.803 14.911 -8.937 140 H LEU 37 H LEU 37 15.352 17.117 -5.717 141 HA LEU 37 HA LEU 37 12.527 17.794 -5.771 142 HB2 LEU 37 HB2 LEU 37 14.397 16.386 -3.820 143 HB3 LEU 37 HB3 LEU 37 12.786 16.774 -3.351 144 HG LEU 37 HG LEU 37 13.246 14.423 -4.248 145 HD11 LEU 37 HD11 LEU 37 11.000 14.251 -5.204 146 HD12 LEU 37 HD12 LEU 37 11.034 15.292 -3.777 147 HD13 LEU 37 HD13 LEU 37 10.944 16.017 -5.410 148 HD21 LEU 37 HD21 LEU 37 14.385 14.916 -6.356 149 HD22 LEU 37 HD22 LEU 37 12.901 13.965 -6.561 150 HD23 LEU 37 HD23 LEU 37 12.895 15.692 -6.970 151 H HIS 38 H HIS 38 15.333 19.133 -4.023 152 HA HIS 38 HA HIS 38 13.792 20.788 -2.260 153 HB2 HIS 38 HB2 HIS 38 16.290 19.913 -2.186 154 HB3 HIS 38 HB3 HIS 38 16.650 21.453 -2.967 155 HD2 HIS 38 HD2 HIS 38 14.675 20.023 0.048 156 HE1 HIS 38 HE1 HIS 38 16.358 23.730 1.356 157 HE2 HIS 38 HE2 HIS 38 14.985 21.709 2.076 158 H ALA 39 H ALA 39 15.154 21.452 -5.490 159 HA ALA 39 HA ALA 39 14.581 24.217 -5.646 160 HB1 ALA 39 HB1 ALA 39 14.459 23.792 -8.086 161 HB2 ALA 39 HB2 ALA 39 15.821 22.918 -7.353 162 HB3 ALA 39 HB3 ALA 39 14.322 22.053 -7.774 163 H ALA 40 H ALA 40 12.355 21.512 -5.524 164 HA ALA 40 HA ALA 40 10.033 23.289 -6.040 165 HB1 ALA 40 HB1 ALA 40 10.226 21.370 -7.513 166 HB2 ALA 40 HB2 ALA 40 10.230 20.257 -6.116 167 HB3 ALA 40 HB3 ALA 40 8.794 21.237 -6.494 168 H GLY 41 H GLY 41 11.647 23.122 -3.465 169 HA2 GLY 41 HA2 GLY 41 11.054 23.644 -1.323 170 HA3 GLY 41 HA3 GLY 41 9.358 23.531 -1.791 171 H ALA 42 H ALA 42 11.246 20.631 -2.257 172 HA ALA 42 HA ALA 42 9.690 19.165 -0.329 173 HB1 ALA 42 HB1 ALA 42 12.109 18.309 -1.941 174 HB2 ALA 42 HB2 ALA 42 10.774 17.272 -1.377 175 HB3 ALA 42 HB3 ALA 42 10.482 18.464 -2.653 176 H GLN 43 H GLN 43 11.493 17.251 0.527 177 HA GLN 43 HA GLN 43 13.848 18.488 1.871 178 HB2 GLN 43 HB2 GLN 43 12.166 16.430 3.356 179 HB3 GLN 43 HB3 GLN 43 13.467 17.435 3.954 180 HG2 GLN 43 HG2 GLN 43 11.537 18.302 4.942 181 HG3 GLN 43 HG3 GLN 43 11.912 19.448 3.657 182 HE21 GLN 43 HE22 GLN 43 9.973 16.360 4.081 183 HE22 GLN 43 HE21 GLN 43 8.636 16.943 3.097 184 H GLY 44 H GLY 44 14.158 17.396 -0.464 185 HA2 GLY 44 HA2 GLY 44 15.465 15.896 -1.574 186 HA3 GLY 44 HA3 GLY 44 15.864 15.164 -0.013 187 H GLU 45 H GLU 45 15.212 13.118 0.152 188 HA GLU 45 HA GLU 45 12.751 12.069 -1.085 189 HB2 GLU 45 HB2 GLU 45 15.448 10.815 -1.707 190 HB3 GLU 45 HB3 GLU 45 13.871 10.200 -2.182 191 HG2 GLU 45 HG2 GLU 45 13.496 12.300 -3.500 192 HG3 GLU 45 HG3 GLU 45 15.184 12.737 -3.194 193 H MET 46 H MET 46 13.827 12.539 1.674 194 HA MET 46 HA MET 46 14.264 9.881 2.771 195 HB2 MET 46 HB2 MET 46 15.531 11.728 3.470 196 HB3 MET 46 HB3 MET 46 14.070 12.515 4.142 197 HG2 MET 46 HG2 MET 46 13.863 10.713 5.805 198 HG3 MET 46 HG3 MET 46 15.172 9.816 5.036 199 HE1 MET 46 HE1 MET 46 15.000 10.353 8.146 200 HE2 MET 46 HE2 MET 46 16.336 9.474 7.366 201 HE3 MET 46 HE3 MET 46 16.683 10.793 8.506 202 H PHE 47 H PHE 47 12.069 9.591 1.533 203 HA PHE 47 HA PHE 47 9.903 8.984 3.376 204 HB2 PHE 47 HB2 PHE 47 8.283 10.668 2.287 205 HB3 PHE 47 HB3 PHE 47 9.364 11.195 3.541 206 HD1 PHE 47 HD2 PHE 47 9.362 10.904 -0.211 207 HD2 PHE 47 HD1 PHE 47 10.520 13.204 3.240 208 HE1 PHE 47 HE2 PHE 47 10.116 12.757 -1.681 209 HE2 PHE 47 HE1 PHE 47 11.338 15.012 1.756 210 HZ PHE 47 HZ PHE 47 11.065 14.822 -0.700 211 H THR 48 H THR 48 7.808 8.513 2.149 212 HA THR 48 HA THR 48 8.261 6.270 0.553 213 HB THR 48 HB THR 48 5.565 7.608 0.568 214 HG1 THR 48 HG1 THR 48 5.290 7.055 2.769 215 HG21 THR 48 HG21 THR 48 5.786 5.190 -0.173 216 HG22 THR 48 HG22 THR 48 6.264 4.798 1.491 217 HG23 THR 48 HG23 THR 48 4.669 5.470 1.161 218 H VAL 49 H VAL 49 7.144 5.707 -1.458 219 HA VAL 49 HA VAL 49 8.083 7.096 -3.722 220 HB VAL 49 HB VAL 49 5.878 5.020 -3.465 221 HG11 VAL 49 HG11 VAL 49 5.514 6.083 -5.614 222 HG12 VAL 49 HG12 VAL 49 7.246 6.029 -5.990 223 HG13 VAL 49 HG13 VAL 49 6.305 4.530 -5.873 224 HG21 VAL 49 HG21 VAL 49 8.113 4.277 -2.727 225 HG22 VAL 49 HG22 VAL 49 7.605 3.459 -4.205 226 HG23 VAL 49 HG23 VAL 49 8.800 4.769 -4.283 227 H LYS 50 H LYS 50 4.804 7.122 -2.305 228 HA LYS 50 HA LYS 50 3.694 8.937 -4.209 229 HB2 LYS 50 HB2 LYS 50 1.842 9.206 -2.610 230 HB3 LYS 50 HB3 LYS 50 2.284 7.511 -2.815 231 HG2 LYS 50 HG2 LYS 50 3.561 7.581 -0.679 232 HG3 LYS 50 HG3 LYS 50 3.122 9.286 -0.475 233 HD2 LYS 50 HD2 LYS 50 0.742 8.683 -0.344 234 HD3 LYS 50 HD3 LYS 50 1.147 6.969 -0.607 235 HE2 LYS 50 HE2 LYS 50 2.530 6.965 1.449 236 HE3 LYS 50 HE3 LYS 50 2.189 8.677 1.704 237 HZ1 LYS 50 HZ1 LYS 50 0.716 7.275 3.048 238 HZ2 LYS 50 HZ2 LYS 50 -0.178 8.102 1.965 239 HZ3 LYS 50 HZ3 LYS 50 0.135 6.515 1.727 240 H GLU 51 H GLU 51 5.671 9.610 -1.410 241 HA GLU 51 HA GLU 51 5.008 12.476 -1.408 242 HB2 GLU 51 HB2 GLU 51 7.140 10.902 0.089 243 HB3 GLU 51 HB3 GLU 51 6.795 12.616 0.314 244 HG2 GLU 51 HG2 GLU 51 4.889 10.301 0.868 245 HG3 GLU 51 HG3 GLU 51 5.802 11.199 2.064 246 H VAL 52 H VAL 52 7.906 10.489 -2.399 247 HA VAL 52 HA VAL 52 9.377 12.701 -3.608 248 HB VAL 52 HB VAL 52 10.365 11.123 -5.083 249 HG11 VAL 52 HG11 VAL 52 11.373 11.457 -2.882 250 HG12 VAL 52 HG12 VAL 52 10.360 10.142 -2.204 251 HG13 VAL 52 HG13 VAL 52 11.606 9.797 -3.413 252 HG21 VAL 52 HG21 VAL 52 8.699 9.041 -3.696 253 HG22 VAL 52 HG22 VAL 52 8.686 9.389 -5.454 254 HG23 VAL 52 HG23 VAL 52 10.096 8.666 -4.692 255 H MET 53 H MET 53 6.962 10.563 -5.102 256 HA MET 53 HA MET 53 7.128 12.069 -7.555 257 HB2 MET 53 HB2 MET 53 5.614 10.730 -8.531 258 HB3 MET 53 HB3 MET 53 6.332 9.661 -7.330 259 HG2 MET 53 HG2 MET 53 4.374 10.053 -5.857 260 HG3 MET 53 HG3 MET 53 3.657 11.110 -7.072 261 HE1 MET 53 HE1 MET 53 2.802 10.403 -9.408 262 HE2 MET 53 HE2 MET 53 4.274 9.528 -9.885 263 HE3 MET 53 HE3 MET 53 2.696 8.730 -9.990 264 H HIS 54 H HIS 54 5.210 12.718 -4.695 265 HA HIS 54 HA HIS 54 3.406 14.662 -5.872 266 HB2 HIS 54 HB2 HIS 54 2.713 14.018 -3.757 267 HB3 HIS 54 HB3 HIS 54 4.334 13.869 -3.140 268 HD2 HIS 54 HD2 HIS 54 5.098 15.591 -1.475 269 HE1 HIS 54 HE1 HIS 54 2.852 18.959 -2.782 270 HE2 HIS 54 HE2 HIS 54 4.531 18.125 -1.063 271 H TYR 55 H TYR 55 6.385 15.224 -3.929 272 HA TYR 55 HA TYR 55 6.883 17.858 -4.604 273 HB2 TYR 55 HB2 TYR 55 8.806 15.587 -4.121 274 HB3 TYR 55 HB3 TYR 55 9.259 17.291 -4.094 275 HD1 TYR 55 HD1 TYR 55 7.513 18.734 -2.472 276 HD2 TYR 55 HD2 TYR 55 8.691 14.619 -2.040 277 HE1 TYR 55 HE1 TYR 55 6.927 18.841 -0.060 278 HE2 TYR 55 HE2 TYR 55 8.096 14.719 0.394 279 HH TYR 55 HH TYR 55 6.731 17.678 1.901 280 H LEU 56 H LEU 56 7.976 14.973 -6.459 281 HA LEU 56 HA LEU 56 9.387 16.493 -8.460 282 HB2 LEU 56 HB2 LEU 56 9.759 14.154 -7.647 283 HB3 LEU 56 HB3 LEU 56 8.356 13.639 -8.578 284 HG LEU 56 HG LEU 56 10.868 14.917 -9.764 285 HD11 LEU 56 HD11 LEU 56 11.441 12.849 -8.612 286 HD12 LEU 56 HD12 LEU 56 10.087 11.999 -9.380 287 HD13 LEU 56 HD13 LEU 56 11.467 12.554 -10.351 288 HD21 LEU 56 HD21 LEU 56 9.188 15.093 -11.410 289 HD22 LEU 56 HD22 LEU 56 9.996 13.591 -11.826 290 HD23 LEU 56 HD23 LEU 56 8.440 13.543 -10.978 291 H GLY 57 H GLY 57 6.001 15.311 -8.253 292 HA2 GLY 57 HA2 GLY 57 5.145 16.036 -10.872 293 HA3 GLY 57 HA3 GLY 57 4.141 15.953 -9.417 294 H GLN 58 H GLN 58 5.072 17.961 -7.792 295 HA GLN 58 HA GLN 58 4.288 20.362 -9.179 296 HB2 GLN 58 HB2 GLN 58 4.646 21.585 -7.166 297 HB3 GLN 58 HB3 GLN 58 3.755 20.093 -6.870 298 HG2 GLN 58 HG2 GLN 58 5.853 19.052 -6.039 299 HG3 GLN 58 HG3 GLN 58 6.690 20.592 -6.240 300 HE21 GLN 58 HE22 GLN 58 7.192 20.569 -3.875 301 HE22 GLN 58 HE21 GLN 58 5.901 20.826 -2.728 302 H TYR 59 H TYR 59 7.553 19.018 -8.533 303 HA TYR 59 HA TYR 59 9.032 21.242 -9.546 304 HB2 TYR 59 HB2 TYR 59 10.090 19.266 -8.489 305 HB3 TYR 59 HB3 TYR 59 9.608 18.272 -9.830 306 HD1 TYR 59 HD2 TYR 59 10.634 18.512 -12.090 307 HD2 TYR 59 HD1 TYR 59 12.052 20.739 -8.680 308 HE1 TYR 59 HE2 TYR 59 12.852 18.789 -13.186 309 HE2 TYR 59 HE1 TYR 59 14.278 20.951 -9.756 310 HH TYR 59 HH TYR 59 15.020 19.565 -12.961 311 H ILE 60 H ILE 60 7.768 18.387 -11.418 312 HA ILE 60 HA ILE 60 8.420 19.324 -14.016 313 HB ILE 60 HB ILE 60 6.058 17.689 -13.024 314 HG12 ILE 60 HG12 ILE 60 8.415 16.658 -14.641 315 HG13 ILE 60 HG13 ILE 60 8.531 16.821 -12.893 316 HG21 ILE 60 HG21 ILE 60 5.335 18.622 -15.160 317 HG22 ILE 60 HG22 ILE 60 6.894 18.211 -15.912 318 HG23 ILE 60 HG23 ILE 60 5.767 16.941 -15.420 319 HD11 ILE 60 HD11 ILE 60 7.841 14.551 -13.437 320 HD12 ILE 60 HD12 ILE 60 6.524 15.392 -12.597 321 HD13 ILE 60 HD13 ILE 60 6.447 15.138 -14.353 322 H MET 61 H MET 61 5.519 20.026 -12.039 323 HA MET 61 HA MET 61 4.240 21.562 -14.049 324 HB2 MET 61 HB2 MET 61 3.243 20.352 -12.073 325 HB3 MET 61 HB3 MET 61 3.786 21.686 -11.054 326 HG2 MET 61 HG2 MET 61 1.446 21.977 -11.647 327 HG3 MET 61 HG3 MET 61 2.409 23.265 -12.345 328 HE1 MET 61 HE1 MET 61 0.271 19.992 -13.082 329 HE2 MET 61 HE2 MET 61 0.515 19.795 -14.826 330 HE3 MET 61 HE3 MET 61 1.863 19.502 -13.713 331 H VAL 62 H VAL 62 6.490 22.647 -11.462 332 HA VAL 62 HA VAL 62 6.152 25.499 -12.102 333 HB VAL 62 HB VAL 62 8.062 24.009 -10.339 334 HG11 VAL 62 HG11 VAL 62 9.247 26.024 -11.081 335 HG12 VAL 62 HG12 VAL 62 7.812 27.021 -10.738 336 HG13 VAL 62 HG13 VAL 62 8.707 26.239 -9.417 337 HG21 VAL 62 HG21 VAL 62 5.699 24.158 -9.539 338 HG22 VAL 62 HG22 VAL 62 6.801 25.084 -8.517 339 HG23 VAL 62 HG23 VAL 62 5.772 25.921 -9.700 340 H LYS 63 H LYS 63 8.683 23.026 -12.662 341 HA LYS 63 HA LYS 63 10.288 24.642 -14.460 342 HB2 LYS 63 HB2 LYS 63 10.023 21.606 -14.266 343 HB3 LYS 63 HB3 LYS 63 11.290 22.498 -15.108 344 HG2 LYS 63 HG2 LYS 63 10.955 22.167 -12.128 345 HG3 LYS 63 HG3 LYS 63 12.249 21.658 -13.200 346 HD2 LYS 63 HD2 LYS 63 12.514 24.273 -13.629 347 HD3 LYS 63 HD3 LYS 63 11.583 24.376 -12.117 348 HE2 LYS 63 HE2 LYS 63 13.922 24.494 -11.555 349 HE3 LYS 63 HE3 LYS 63 13.306 22.935 -11.002 350 HZ1 LYS 63 HZ1 LYS 63 14.858 23.355 -13.526 351 HZ2 LYS 63 HZ2 LYS 63 15.464 22.726 -12.144 352 HZ3 LYS 63 HZ3 LYS 63 14.351 21.899 -12.988 353 H GLN 64 H GLN 64 7.279 23.074 -14.883 354 HA GLN 64 HA GLN 64 5.854 22.761 -16.488 355 HB2 GLN 64 HB2 GLN 64 5.370 24.577 -18.026 356 HB3 GLN 64 HB3 GLN 64 5.606 25.060 -16.355 357 HG2 GLN 64 HG2 GLN 64 8.071 25.608 -17.145 358 HG3 GLN 64 HG3 GLN 64 7.363 25.608 -18.750 359 HE21 GLN 64 HE22 GLN 64 7.152 26.980 -15.413 360 HE22 GLN 64 HE21 GLN 64 6.409 28.497 -15.896 361 H LEU 65 H LEU 65 7.625 21.031 -16.652 362 HA LEU 65 HA LEU 65 8.925 20.887 -19.262 363 HB2 LEU 65 HB2 LEU 65 8.905 19.016 -16.843 364 HB3 LEU 65 HB3 LEU 65 9.873 18.721 -18.270 365 HG LEU 65 HG LEU 65 10.134 21.143 -16.490 366 HD11 LEU 65 HD11 LEU 65 11.890 18.665 -16.648 367 HD12 LEU 65 HD12 LEU 65 12.188 20.099 -15.646 368 HD13 LEU 65 HD13 LEU 65 10.782 19.075 -15.324 369 HD21 LEU 65 HD21 LEU 65 10.945 21.683 -18.713 370 HD22 LEU 65 HD22 LEU 65 12.322 21.477 -17.629 371 HD23 LEU 65 HD23 LEU 65 11.898 20.187 -18.775 372 H TYR 66 H TYR 66 6.465 20.942 -20.065 373 HA TYR 66 HA TYR 66 5.692 18.190 -20.818 374 HB2 TYR 66 HB2 TYR 66 3.327 18.668 -20.152 375 HB3 TYR 66 HB3 TYR 66 4.446 18.455 -18.828 376 HD1 TYR 66 HD2 TYR 66 2.977 21.257 -20.915 377 HD2 TYR 66 HD1 TYR 66 4.325 19.945 -17.033 378 HE1 TYR 66 HE2 TYR 66 2.247 23.414 -19.943 379 HE2 TYR 66 HE1 TYR 66 3.552 22.089 -16.053 380 HH TYR 66 HH TYR 66 2.552 24.138 -16.437 381 H ASP 67 H ASP 67 3.845 18.174 -22.416 382 HA ASP 67 HA ASP 67 4.534 19.997 -24.578 383 HB2 ASP 67 HB2 ASP 67 3.924 17.561 -24.878 384 HB3 ASP 67 HB3 ASP 67 2.263 18.012 -24.534 385 H GLN 68 H GLN 68 3.191 21.370 -25.710 386 HA GLN 68 HA GLN 68 1.729 23.235 -24.063 387 HB2 GLN 68 HB2 GLN 68 1.610 23.347 -27.070 388 HB3 GLN 68 HB3 GLN 68 1.685 24.642 -25.918 389 HG2 GLN 68 HG2 GLN 68 3.658 24.576 -27.312 390 HG3 GLN 68 HG3 GLN 68 4.097 24.281 -25.625 391 HE21 GLN 68 HE22 GLN 68 2.800 21.899 -28.109 392 HE22 GLN 68 HE21 GLN 68 4.098 20.779 -27.777 393 H GLN 69 H GLN 69 0.822 20.729 -26.420 394 HA GLN 69 HA GLN 69 -2.060 21.427 -26.302 395 HB2 GLN 69 HB2 GLN 69 -0.447 19.563 -28.086 396 HB3 GLN 69 HB3 GLN 69 -2.200 19.614 -28.047 397 HG2 GLN 69 HG2 GLN 69 -1.605 20.960 -29.875 398 HG3 GLN 69 HG3 GLN 69 -2.144 22.053 -28.612 399 HE21 GLN 69 HE22 GLN 69 -1.020 23.867 -29.563 400 HE22 GLN 69 HE21 GLN 69 0.734 23.942 -29.583 401 H GLU 70 H GLU 70 0.197 19.112 -24.951 402 HA GLU 70 HA GLU 70 -2.065 18.013 -23.367 403 HB2 GLU 70 HB2 GLU 70 -0.990 15.681 -23.707 404 HB3 GLU 70 HB3 GLU 70 -2.169 16.325 -24.838 405 HG2 GLU 70 HG2 GLU 70 -0.383 16.985 -26.413 406 HG3 GLU 70 HG3 GLU 70 0.838 16.358 -25.296 407 H GLN 71 H GLN 71 -1.407 19.033 -21.579 408 HA GLN 71 HA GLN 71 1.140 18.987 -20.366 409 HB2 GLN 71 HB2 GLN 71 -1.634 19.034 -19.091 410 HB3 GLN 71 HB3 GLN 71 -0.127 19.358 -18.255 411 HG2 GLN 71 HG2 GLN 71 -0.962 21.489 -18.704 412 HG3 GLN 71 HG3 GLN 71 0.309 21.253 -19.893 413 HE21 GLN 71 HE22 GLN 71 -0.964 23.194 -20.835 414 HE22 GLN 71 HE21 GLN 71 -2.272 22.774 -21.931 415 H HIS 72 H HIS 72 -1.089 16.367 -20.765 416 HA HIS 72 HA HIS 72 -0.265 14.731 -18.575 417 HB2 HIS 72 HB2 HIS 72 -1.911 13.399 -19.309 418 HB3 HIS 72 HB3 HIS 72 -2.265 14.611 -20.510 419 HD2 HIS 72 HD2 HIS 72 -1.343 11.022 -20.200 420 HE1 HIS 72 HE1 HIS 72 -0.117 12.013 -24.164 421 HE2 HIS 72 HE2 HIS 72 -0.530 10.101 -22.534 422 H MET 73 H MET 73 1.305 15.516 -21.566 423 HA MET 73 HA MET 73 3.181 13.224 -21.380 424 HB2 MET 73 HB2 MET 73 2.035 13.647 -23.549 425 HB3 MET 73 HB3 MET 73 2.789 15.247 -23.615 426 HG2 MET 73 HG2 MET 73 4.071 13.691 -24.963 427 HG3 MET 73 HG3 MET 73 5.027 14.176 -23.565 428 HE1 MET 73 HE1 MET 73 6.517 10.706 -23.667 429 HE2 MET 73 HE2 MET 73 6.286 11.882 -24.980 430 HE3 MET 73 HE3 MET 73 6.742 12.442 -23.353 431 H VAL 74 H VAL 74 5.239 13.508 -20.731 432 HA VAL 74 HA VAL 74 6.062 16.222 -19.817 433 HB VAL 74 HB VAL 74 6.979 13.524 -18.753 434 HG11 VAL 74 HG11 VAL 74 7.712 14.791 -16.809 435 HG12 VAL 74 HG12 VAL 74 8.471 15.466 -18.251 436 HG13 VAL 74 HG13 VAL 74 7.088 16.289 -17.494 437 HG21 VAL 74 HG21 VAL 74 5.465 13.991 -16.812 438 HG22 VAL 74 HG22 VAL 74 4.767 15.354 -17.718 439 HG23 VAL 74 HG23 VAL 74 4.571 13.687 -18.299 440 H TYR 75 H TYR 75 7.926 17.052 -20.362 441 HA TYR 75 HA TYR 75 9.967 15.633 -21.995 442 HB2 TYR 75 HB2 TYR 75 8.442 18.170 -22.713 443 HB3 TYR 75 HB3 TYR 75 10.007 17.762 -23.415 444 HD1 TYR 75 HD1 TYR 75 10.246 15.274 -24.275 445 HD2 TYR 75 HD2 TYR 75 6.528 17.445 -23.966 446 HE1 TYR 75 HE1 TYR 75 9.212 13.718 -25.879 447 HE2 TYR 75 HE2 TYR 75 5.511 15.931 -25.661 448 HH TYR 75 HH TYR 75 5.832 14.124 -27.066 449 H CYS 76 H CYS 76 11.451 15.651 -20.510 450 HA CYS 76 HA CYS 76 12.174 17.949 -18.807 451 HB2 CYS 76 HB2 CYS 76 12.953 15.026 -18.976 452 HB3 CYS 76 HB3 CYS 76 13.677 16.143 -17.804 453 HG CYS 76 HG CYS 76 10.471 15.357 -18.198 454 H GLY 77 H GLY 77 12.793 18.115 -21.735 455 HA2 GLY 77 HA2 GLY 77 15.362 17.236 -22.367 456 HA3 GLY 77 HA3 GLY 77 14.549 18.573 -23.174 457 H GLY 78 H GLY 78 17.294 17.740 -21.622 458 HA2 GLY 78 HA2 GLY 78 19.138 18.921 -20.956 459 HA3 GLY 78 HA3 GLY 78 18.284 20.436 -21.245 460 H ASP 79 H ASP 79 16.541 18.378 -18.984 461 HA ASP 79 HA ASP 79 17.368 20.211 -16.821 462 HB2 ASP 79 HB2 ASP 79 14.964 19.965 -17.555 463 HB3 ASP 79 HB3 ASP 79 15.003 18.324 -16.900 464 H LEU 80 H LEU 80 17.874 19.481 -14.723 465 HA LEU 80 HA LEU 80 19.661 17.290 -14.583 466 HB2 LEU 80 HB2 LEU 80 19.681 19.447 -13.258 467 HB3 LEU 80 HB3 LEU 80 18.322 18.821 -12.323 468 HG LEU 80 HG LEU 80 19.762 16.935 -11.554 469 HD11 LEU 80 HD11 LEU 80 21.371 16.702 -13.362 470 HD12 LEU 80 HD12 LEU 80 21.968 18.358 -13.092 471 HD13 LEU 80 HD13 LEU 80 22.231 17.089 -11.875 472 HD21 LEU 80 HD21 LEU 80 21.161 18.250 -10.044 473 HD22 LEU 80 HD22 LEU 80 21.038 19.665 -11.115 474 HD23 LEU 80 HD23 LEU 80 19.604 19.063 -10.260 475 H LEU 81 H LEU 81 16.204 17.552 -14.115 476 HA LEU 81 HA LEU 81 15.779 15.095 -12.646 477 HB2 LEU 81 HB2 LEU 81 14.117 16.858 -12.678 478 HB3 LEU 81 HB3 LEU 81 14.025 16.831 -14.436 479 HG LEU 81 HG LEU 81 13.064 14.525 -14.350 480 HD11 LEU 81 HD11 LEU 81 12.923 14.964 -11.332 481 HD12 LEU 81 HD12 LEU 81 12.293 13.576 -12.258 482 HD13 LEU 81 HD13 LEU 81 14.030 13.832 -12.128 483 HD21 LEU 81 HD21 LEU 81 10.865 15.144 -13.610 484 HD22 LEU 81 HD22 LEU 81 11.511 16.441 -12.585 485 HD23 LEU 81 HD23 LEU 81 11.607 16.565 -14.359 486 H GLY 82 H GLY 82 15.739 15.869 -16.178 487 HA2 GLY 82 HA2 GLY 82 15.187 13.153 -17.063 488 HA3 GLY 82 HA3 GLY 82 15.852 14.468 -18.036 489 H GLU 83 H GLU 83 18.244 15.012 -16.451 490 HA GLU 83 HA GLU 83 20.046 13.009 -17.381 491 HB2 GLU 83 HB2 GLU 83 20.695 15.287 -17.168 492 HB3 GLU 83 HB3 GLU 83 20.062 15.394 -15.535 493 HG2 GLU 83 HG2 GLU 83 22.416 15.457 -15.475 494 HG3 GLU 83 HG3 GLU 83 21.778 14.044 -14.641 495 H LEU 84 H LEU 84 18.510 13.554 -14.158 496 HA LEU 84 HA LEU 84 19.939 11.416 -12.889 497 HB2 LEU 84 HB2 LEU 84 19.022 13.358 -11.728 498 HB3 LEU 84 HB3 LEU 84 17.381 12.876 -12.105 499 HG LEU 84 HG LEU 84 18.233 12.502 -9.752 500 HD11 LEU 84 HD11 LEU 84 17.178 9.964 -11.038 501 HD12 LEU 84 HD12 LEU 84 17.037 10.479 -9.355 502 HD13 LEU 84 HD13 LEU 84 16.197 11.387 -10.616 503 HD21 LEU 84 HD21 LEU 84 19.719 10.137 -10.962 504 HD22 LEU 84 HD22 LEU 84 20.459 11.597 -10.265 505 HD23 LEU 84 HD23 LEU 84 19.519 10.487 -9.249 506 H LEU 85 H LEU 85 16.625 11.597 -14.263 507 HA LEU 85 HA LEU 85 15.903 8.851 -13.769 508 HB2 LEU 85 HB2 LEU 85 14.934 11.104 -15.527 509 HB3 LEU 85 HB3 LEU 85 14.409 9.488 -15.933 510 HG LEU 85 HG LEU 85 13.246 9.158 -13.917 511 HD11 LEU 85 HD11 LEU 85 13.095 10.868 -12.109 512 HD12 LEU 85 HD12 LEU 85 14.684 10.099 -12.210 513 HD13 LEU 85 HD13 LEU 85 14.449 11.734 -12.864 514 HD21 LEU 85 HD21 LEU 85 12.169 10.603 -15.623 515 HD22 LEU 85 HD22 LEU 85 11.625 11.008 -13.985 516 HD23 LEU 85 HD23 LEU 85 12.815 12.040 -14.804 517 H GLY 86 H GLY 86 17.834 10.313 -16.352 518 HA2 GLY 86 HA2 GLY 86 19.301 9.187 -17.800 519 HA3 GLY 86 HA3 GLY 86 18.550 7.636 -17.403 520 H ARG 87 H ARG 87 16.085 9.779 -18.011 521 HA ARG 87 HA ARG 87 16.204 9.922 -20.880 522 HB2 ARG 87 HB2 ARG 87 13.853 8.987 -21.225 523 HB3 ARG 87 HB3 ARG 87 15.148 7.853 -21.094 524 HG2 ARG 87 HG2 ARG 87 13.224 8.501 -18.815 525 HG3 ARG 87 HG3 ARG 87 13.028 7.195 -19.983 526 HD2 ARG 87 HD2 ARG 87 15.529 6.601 -19.122 527 HD3 ARG 87 HD3 ARG 87 14.900 7.422 -17.682 528 HE ARG 87 HE ARG 87 13.190 5.311 -18.831 529 HH11 ARG 87 HH11 ARG 87 15.687 5.905 -16.353 530 HH12 ARG 87 HH12 ARG 87 15.424 4.276 -15.716 531 HH21 ARG 87 HH21 ARG 87 12.998 3.309 -17.790 532 HH22 ARG 87 HH22 ARG 87 14.076 2.989 -16.432 533 H GLN 88 H GLN 88 14.889 11.336 -21.827 534 HA GLN 88 HA GLN 88 14.077 13.498 -19.972 535 HB2 GLN 88 HB2 GLN 88 14.955 13.489 -22.878 536 HB3 GLN 88 HB3 GLN 88 14.410 14.942 -22.017 537 HG2 GLN 88 HG2 GLN 88 16.141 14.763 -20.377 538 HG3 GLN 88 HG3 GLN 88 16.652 13.176 -20.971 539 HE21 GLN 88 HE22 GLN 88 17.546 13.110 -23.306 540 HE22 GLN 88 HE21 GLN 88 18.447 14.530 -23.812 541 H SER 89 H SER 89 12.387 11.103 -21.404 542 HA SER 89 HA SER 89 9.996 12.803 -21.147 543 HB2 SER 89 HB2 SER 89 8.952 12.180 -23.241 544 HB3 SER 89 HB3 SER 89 10.458 13.062 -23.494 545 HG SER 89 HG SER 89 10.324 11.219 -24.882 546 H PHE 90 H PHE 90 8.109 11.930 -20.716 547 HA PHE 90 HA PHE 90 7.428 9.152 -20.611 548 HB2 PHE 90 HB2 PHE 90 7.228 8.981 -18.131 549 HB3 PHE 90 HB3 PHE 90 8.863 9.009 -18.714 550 HD1 PHE 90 HD2 PHE 90 10.369 10.923 -18.263 551 HD2 PHE 90 HD1 PHE 90 6.357 10.766 -16.680 552 HE1 PHE 90 HE2 PHE 90 10.954 12.673 -16.605 553 HE2 PHE 90 HE1 PHE 90 6.961 12.498 -15.006 554 HZ PHE 90 HZ PHE 90 9.263 13.446 -14.962 555 H SER 91 H SER 91 5.248 9.120 -19.006 556 HA SER 91 HA SER 91 3.767 11.680 -19.387 557 HB2 SER 91 HB2 SER 91 1.937 10.663 -20.485 558 HB3 SER 91 HB3 SER 91 3.380 10.100 -21.346 559 HG SER 91 HG SER 91 2.328 8.245 -20.958 560 H VAL 92 H VAL 92 1.614 11.640 -18.265 561 HA VAL 92 HA VAL 92 1.876 10.606 -15.568 562 HB VAL 92 HB VAL 92 -0.305 11.515 -15.116 563 HG11 VAL 92 HG11 VAL 92 1.657 13.047 -15.245 564 HG12 VAL 92 HG12 VAL 92 1.231 13.433 -16.919 565 HG13 VAL 92 HG13 VAL 92 0.116 13.842 -15.609 566 HG21 VAL 92 HG21 VAL 92 -1.549 10.916 -17.138 567 HG22 VAL 92 HG22 VAL 92 -1.630 12.661 -16.874 568 HG23 VAL 92 HG23 VAL 92 -0.535 12.002 -18.111 569 H LYS 93 H LYS 93 0.738 9.057 -18.435 570 HA LYS 93 HA LYS 93 -0.621 6.941 -16.824 571 HB2 LYS 93 HB2 LYS 93 -1.503 6.035 -18.793 572 HB3 LYS 93 HB3 LYS 93 -1.832 7.764 -18.808 573 HG2 LYS 93 HG2 LYS 93 -0.085 8.138 -20.475 574 HG3 LYS 93 HG3 LYS 93 0.451 6.447 -20.353 575 HD2 LYS 93 HD2 LYS 93 -1.823 5.722 -21.145 576 HD3 LYS 93 HD3 LYS 93 -2.235 7.431 -21.405 577 HE2 LYS 93 HE2 LYS 93 -0.313 7.630 -22.990 578 HE3 LYS 93 HE3 LYS 93 0.101 5.938 -22.700 579 HZ1 LYS 93 HZ1 LYS 93 -1.219 6.186 -24.726 580 HZ2 LYS 93 HZ2 LYS 93 -2.059 5.306 -23.643 581 HZ3 LYS 93 HZ3 LYS 93 -2.456 6.869 -23.911 582 H ASP 94 H ASP 94 2.407 7.574 -18.363 583 HA ASP 94 HA ASP 94 3.344 4.882 -17.500 584 HB2 ASP 94 HB2 ASP 94 3.019 5.000 -19.962 585 HB3 ASP 94 HB3 ASP 94 4.172 6.332 -20.036 586 HA PRO 95 HA PRO 95 5.983 8.277 -15.647 587 HB2 PRO 95 HB2 PRO 95 5.338 8.111 -13.011 588 HB3 PRO 95 HB3 PRO 95 4.276 8.920 -14.200 589 HG2 PRO 95 HG2 PRO 95 4.079 6.034 -13.235 590 HG3 PRO 95 HG3 PRO 95 2.794 7.290 -13.213 591 HD2 PRO 95 HD2 PRO 95 3.025 5.485 -15.233 592 HD3 PRO 95 HD3 PRO 95 2.559 7.187 -15.541 593 H SER 96 H SER 96 6.280 5.134 -15.998 594 HA SER 96 HA SER 96 7.553 3.948 -13.894 595 HB2 SER 96 HB2 SER 96 8.436 2.320 -15.408 596 HB3 SER 96 HB3 SER 96 6.800 2.787 -15.893 597 HG SER 96 HG SER 96 8.156 2.720 -17.710 598 HA PRO 97 HA PRO 97 11.970 5.424 -15.181 599 HB2 PRO 97 HB2 PRO 97 11.286 8.351 -15.511 600 HB3 PRO 97 HB3 PRO 97 12.660 7.430 -16.207 601 HG2 PRO 97 HG2 PRO 97 10.534 7.939 -17.749 602 HG3 PRO 97 HG3 PRO 97 11.162 6.259 -17.718 603 HD2 PRO 97 HD2 PRO 97 8.851 7.412 -16.123 604 HD3 PRO 97 HD3 PRO 97 8.882 5.930 -17.121 605 H LEU 98 H LEU 98 9.591 7.297 -13.288 606 HA LEU 98 HA LEU 98 11.421 8.049 -11.136 607 HB2 LEU 98 HB2 LEU 98 8.383 7.696 -11.274 608 HB3 LEU 98 HB3 LEU 98 9.247 8.115 -9.806 609 HG LEU 98 HG LEU 98 10.122 10.182 -10.936 610 HD11 LEU 98 HD11 LEU 98 9.775 9.658 -13.316 611 HD12 LEU 98 HD12 LEU 98 8.028 9.479 -13.041 612 HD13 LEU 98 HD13 LEU 98 8.813 11.061 -12.861 613 HD21 LEU 98 HD21 LEU 98 8.244 10.192 -9.354 614 HD22 LEU 98 HD22 LEU 98 7.930 11.353 -10.654 615 HD23 LEU 98 HD23 LEU 98 7.110 9.780 -10.660 616 H TYR 99 H TYR 99 9.133 5.338 -11.646 617 HA TYR 99 HA TYR 99 9.731 4.079 -9.152 618 HB2 TYR 99 HB2 TYR 99 8.519 2.949 -11.713 619 HB3 TYR 99 HB3 TYR 99 8.581 2.106 -10.176 620 HD1 TYR 99 HD1 TYR 99 7.086 5.036 -11.938 621 HD2 TYR 99 HD2 TYR 99 7.044 2.588 -8.383 622 HE1 TYR 99 HE1 TYR 99 4.955 6.072 -11.261 623 HE2 TYR 99 HE2 TYR 99 4.865 3.602 -7.724 624 HH TYR 99 HH TYR 99 3.222 6.083 -9.717 625 H ASP 100 H ASP 100 11.202 3.730 -12.377 626 HA ASP 100 HA ASP 100 12.937 1.554 -11.726 627 HB2 ASP 100 HB2 ASP 100 12.345 2.501 -13.990 628 HB3 ASP 100 HB3 ASP 100 13.357 3.890 -13.645 629 H MET 101 H MET 101 13.212 5.030 -11.190 630 HA MET 101 HA MET 101 15.912 5.053 -10.107 631 HB2 MET 101 HB2 MET 101 15.418 7.161 -10.727 632 HB3 MET 101 HB3 MET 101 13.691 6.907 -10.638 633 HG2 MET 101 HG2 MET 101 13.854 7.177 -8.134 634 HG3 MET 101 HG3 MET 101 15.501 7.759 -8.395 635 HE1 MET 101 HE1 MET 101 12.407 9.118 -7.248 636 HE2 MET 101 HE2 MET 101 11.673 10.142 -8.483 637 HE3 MET 101 HE3 MET 101 11.664 8.371 -8.683 638 H LEU 102 H LEU 102 12.665 4.584 -8.732 639 HA LEU 102 HA LEU 102 13.671 4.582 -5.986 640 HB2 LEU 102 HB2 LEU 102 10.915 4.138 -7.177 641 HB3 LEU 102 HB3 LEU 102 11.235 4.235 -5.447 642 HG LEU 102 HG LEU 102 11.996 6.479 -7.352 643 HD11 LEU 102 HD11 LEU 102 9.991 7.632 -6.832 644 HD12 LEU 102 HD12 LEU 102 9.536 6.036 -7.432 645 HD13 LEU 102 HD13 LEU 102 9.489 6.374 -5.684 646 HD21 LEU 102 HD21 LEU 102 13.145 6.505 -5.165 647 HD22 LEU 102 HD22 LEU 102 12.051 7.857 -5.356 648 HD23 LEU 102 HD23 LEU 102 11.560 6.474 -4.348 649 H ARG 103 H ARG 103 12.522 1.996 -8.163 650 HA ARG 103 HA ARG 103 12.438 -0.132 -6.324 651 HB2 ARG 103 HB2 ARG 103 12.519 -1.589 -8.255 652 HB3 ARG 103 HB3 ARG 103 11.579 -0.149 -8.629 653 HG2 ARG 103 HG2 ARG 103 12.695 -0.438 -10.561 654 HG3 ARG 103 HG3 ARG 103 13.697 0.758 -9.749 655 HD2 ARG 103 HD2 ARG 103 15.358 -1.002 -9.205 656 HD3 ARG 103 HD3 ARG 103 14.287 -2.219 -9.935 657 HE ARG 103 HE ARG 103 14.828 -0.102 -11.824 658 HH11 ARG 103 HH11 ARG 103 16.535 -2.858 -10.445 659 HH12 ARG 103 HH12 ARG 103 17.566 -2.983 -11.845 660 HH21 ARG 103 HH21 ARG 103 16.038 -0.323 -13.462 661 HH22 ARG 103 HH22 ARG 103 17.306 -1.551 -13.568 662 H LYS 104 H LYS 104 15.187 1.294 -7.769 663 HA LYS 104 HA LYS 104 17.229 -0.616 -6.962 664 HB2 LYS 104 HB2 LYS 104 17.486 0.938 -8.815 665 HB3 LYS 104 HB3 LYS 104 17.263 2.327 -7.740 666 HG2 LYS 104 HG2 LYS 104 19.377 1.943 -6.657 667 HG3 LYS 104 HG3 LYS 104 19.564 0.360 -7.434 668 HD2 LYS 104 HD2 LYS 104 20.988 2.110 -8.459 669 HD3 LYS 104 HD3 LYS 104 19.862 1.380 -9.612 670 HE2 LYS 104 HE2 LYS 104 18.351 3.312 -9.437 671 HE3 LYS 104 HE3 LYS 104 19.362 4.028 -8.175 672 HZ1 LYS 104 HZ1 LYS 104 19.855 5.004 -10.361 673 HZ2 LYS 104 HZ2 LYS 104 21.171 4.210 -9.819 674 HZ3 LYS 104 HZ3 LYS 104 20.241 3.546 -10.986 675 H ASN 105 H ASN 105 15.539 1.934 -5.290 676 HA ASN 105 HA ASN 105 17.454 1.914 -3.013 677 HB2 ASN 105 HB2 ASN 105 15.269 3.853 -3.841 678 HB3 ASN 105 HB3 ASN 105 16.095 3.889 -2.279 679 HD21 ASN 105 HD22 ASN 105 16.513 4.574 -5.770 680 HD22 ASN 105 HD21 ASN 105 18.090 5.291 -5.526 681 H LEU 106 H LEU 106 13.791 2.038 -3.104 682 HA LEU 106 HA LEU 106 13.821 0.086 -0.858 683 HB2 LEU 106 HB2 LEU 106 11.854 0.865 -0.101 684 HB3 LEU 106 HB3 LEU 106 12.589 2.350 -0.669 685 HG LEU 106 HG LEU 106 10.431 0.727 -2.113 686 HD11 LEU 106 HD11 LEU 106 10.221 3.420 -0.726 687 HD12 LEU 106 HD12 LEU 106 8.918 2.501 -1.519 688 HD13 LEU 106 HD13 LEU 106 9.661 1.871 -0.057 689 HD21 LEU 106 HD21 LEU 106 10.183 2.766 -3.539 690 HD22 LEU 106 HD22 LEU 106 11.669 3.423 -2.822 691 HD23 LEU 106 HD23 LEU 106 11.704 1.924 -3.784 692 H VAL 107 H VAL 107 12.256 -1.687 -0.880 693 HA VAL 107 HA VAL 107 12.056 -3.004 -3.497 694 HB VAL 107 HB VAL 107 10.895 -3.835 -0.810 695 HG11 VAL 107 HG11 VAL 107 9.697 -4.912 -2.690 696 HG12 VAL 107 HG12 VAL 107 11.247 -5.386 -3.423 697 HG13 VAL 107 HG13 VAL 107 10.734 -6.078 -1.869 698 HG21 VAL 107 HG21 VAL 107 13.425 -4.723 -2.271 699 HG22 VAL 107 HG22 VAL 107 13.365 -3.793 -0.759 700 HG23 VAL 107 HG23 VAL 107 12.775 -5.455 -0.788 701 H THR 108 H THR 108 10.679 -2.160 -4.933 702 HA THR 108 HA THR 108 7.820 -2.061 -4.307 703 HB THR 108 HB THR 108 8.666 0.208 -3.714 704 HG1 THR 108 HG1 THR 108 6.891 1.152 -4.600 705 HG21 THR 108 HG21 THR 108 9.058 1.855 -5.486 706 HG22 THR 108 HG22 THR 108 10.328 0.616 -5.483 707 HG23 THR 108 HG23 THR 108 9.046 0.578 -6.713 708 H LEU 109 H LEU 109 6.644 -1.230 -6.319 709 HA LEU 109 HA LEU 109 7.304 -3.118 -8.514 710 HB2 LEU 109 HB2 LEU 109 4.895 -1.300 -8.105 711 HB3 LEU 109 HB3 LEU 109 5.058 -2.516 -9.367 712 HG LEU 109 HG LEU 109 4.908 -3.081 -6.370 713 HD11 LEU 109 HD11 LEU 109 2.894 -3.551 -8.606 714 HD12 LEU 109 HD12 LEU 109 2.698 -4.006 -6.898 715 HD13 LEU 109 HD13 LEU 109 2.786 -2.296 -7.351 716 HD21 LEU 109 HD21 LEU 109 4.987 -4.998 -8.744 717 HD22 LEU 109 HD22 LEU 109 6.231 -4.829 -7.481 718 HD23 LEU 109 HD23 LEU 109 4.634 -5.453 -7.062 719 H ALA 110 H ALA 110 7.668 -2.539 -10.664 720 HA ALA 110 HA ALA 110 7.668 0.286 -11.465 721 HB1 ALA 110 HB1 ALA 110 9.993 -0.235 -10.523 722 HB2 ALA 110 HB2 ALA 110 10.087 -1.540 -11.753 723 HB3 ALA 110 HB3 ALA 110 10.010 0.160 -12.264 724 H THR 111 H THR 111 6.577 -2.469 -12.130 725 HA THR 111 HA THR 111 6.093 -3.811 -13.944 726 HB THR 111 HB THR 111 5.648 -0.956 -14.716 727 HG1 THR 111 HG1 THR 111 3.538 -1.439 -14.065 728 HG21 THR 111 HG21 THR 111 4.489 -3.418 -16.140 729 HG22 THR 111 HG22 THR 111 3.882 -1.760 -16.352 730 HG23 THR 111 HG23 THR 111 5.517 -2.164 -16.877 731 HD1 49H 200 HD1 49H 200 0.905 12.672 -12.827 732 HD2 49H 200 HD2 49H 200 3.051 13.841 -9.282 733 HD3 49H 200 HD3 49H 200 -1.125 11.100 -12.237 734 HD4 49H 200 HD4 49H 200 0.062 11.920 -8.176 735 HD5 49H 200 HD5 49H 200 -2.823 14.069 -13.703 736 HE1 49H 200 HE1 49H 200 2.958 11.617 -13.712 737 HE2 49H 200 HE2 49H 200 5.099 12.788 -10.185 738 HE4 49H 200 HE4 49H 200 0.311 9.495 -7.763 739 HE5 49H 200 HE5 49H 200 -3.417 14.962 -15.883 740 HE6 49H 200 HE6 49H 200 -0.023 17.574 -15.773 741 HZ2 49H 200 HZ2 49H 200 -0.149 7.869 -9.583 742 HM11 49H 200 HM11 49H 200 -3.296 17.174 -18.855 743 HM12 49H 200 HM12 49H 200 -3.300 15.529 -18.165 744 HM13 49H 200 HM13 49H 200 -4.143 16.862 -17.316 745 HM21 49H 200 HM21 49H 200 3.403 17.519 -13.026 746 HM22 49H 200 HM22 49H 200 3.085 16.097 -12.013 747 HM23 49H 200 HM23 49H 200 4.235 15.983 -13.336 748 HM31 49H 200 HM31 49H 200 1.792 15.932 -16.119 749 HM32 49H 200 HM32 49H 200 2.593 17.417 -15.569 750 HM33 49H 200 HM33 49H 200 3.495 15.897 -15.682 751 HN1 49H 200 HN1 49H 200 -2.784 20.529 -10.326 752 H21 49H 200 H21 49H 200 -2.842 18.019 -9.416 753 H22 49H 200 H22 49H 200 -3.673 18.416 -10.933 754 H31 49H 200 H31 49H 200 -2.176 16.428 -11.018 755 H32 49H 200 H32 49H 200 -1.818 17.655 -12.256 756 H41 49H 200 H41 49H 200 0.957 19.146 -10.971 757 H42 49H 200 H42 49H 200 0.514 18.752 -9.300 758 H7 49H 200 H7 49H 200 -1.353 13.559 -9.625 759 H8 49H 200 H8 49H 200 0.778 14.294 -9.368 760 H9 49H 200 H9 49H 200 2.005 14.921 -13.861 Start of MODEL 8 1 H1 GLN 23 H GLN 23 16.102 2.114 10.464 2 HA GLN 23 HA GLN 23 15.538 4.895 9.989 3 HB2 GLN 23 HB2 GLN 23 17.337 3.485 7.972 4 HB3 GLN 23 HB3 GLN 23 16.485 5.008 7.674 5 HG2 GLN 23 HG2 GLN 23 17.697 6.066 9.572 6 HG3 GLN 23 HG3 GLN 23 18.585 4.565 9.843 7 HE21 GLN 23 HE22 GLN 23 20.295 6.487 9.531 8 HE22 GLN 23 HE21 GLN 23 20.926 6.582 7.892 9 H ILE 24 H ILE 24 14.030 5.245 8.204 10 HA ILE 24 HA ILE 24 12.052 3.121 8.100 11 HB ILE 24 HB ILE 24 10.772 4.732 6.693 12 HG12 ILE 24 HG12 ILE 24 13.051 6.676 7.330 13 HG13 ILE 24 HG13 ILE 24 12.586 6.093 5.737 14 HG21 ILE 24 HG21 ILE 24 10.496 4.455 9.130 15 HG22 ILE 24 HG22 ILE 24 11.667 5.766 9.413 16 HG23 ILE 24 HG23 ILE 24 10.116 6.092 8.600 17 HD11 ILE 24 HD11 ILE 24 11.102 8.024 7.549 18 HD12 ILE 24 HD12 ILE 24 11.662 8.276 5.889 19 HD13 ILE 24 HD13 ILE 24 10.276 7.220 6.206 20 H ASN 25 H ASN 25 10.858 2.538 6.210 21 HA ASN 25 HA ASN 25 12.682 1.181 4.477 22 HB2 ASN 25 HB2 ASN 25 9.656 1.000 4.604 23 HB3 ASN 25 HB3 ASN 25 10.763 -0.211 3.942 24 HD21 ASN 25 HD22 ASN 25 12.554 -0.910 5.729 25 HD22 ASN 25 HD21 ASN 25 11.881 -1.160 7.332 26 H GLN 26 H GLN 26 12.844 3.747 3.749 27 HA GLN 26 HA GLN 26 11.463 4.068 1.115 28 HB2 GLN 26 HB2 GLN 26 11.848 6.543 2.661 29 HB3 GLN 26 HB3 GLN 26 10.516 6.022 1.637 30 HG2 GLN 26 HG2 GLN 26 10.872 5.064 4.497 31 HG3 GLN 26 HG3 GLN 26 10.104 6.571 4.087 32 HE21 GLN 26 HE22 GLN 26 9.633 3.212 2.621 33 HE22 GLN 26 HE21 GLN 26 7.986 3.170 3.164 34 H VAL 27 H VAL 27 12.410 6.422 0.262 35 HA VAL 27 HA VAL 27 15.222 5.755 -0.363 36 HB VAL 27 HB VAL 27 13.653 8.084 -1.465 37 HG11 VAL 27 HG11 VAL 27 16.053 6.556 -2.498 38 HG12 VAL 27 HG12 VAL 27 15.059 7.592 -3.536 39 HG13 VAL 27 HG13 VAL 27 15.894 8.303 -2.182 40 HG21 VAL 27 HG21 VAL 27 13.655 5.231 -2.528 41 HG22 VAL 27 HG22 VAL 27 12.239 6.129 -1.933 42 HG23 VAL 27 HG23 VAL 27 13.028 6.639 -3.415 43 H ARG 28 H ARG 28 16.646 7.789 -0.553 44 HA ARG 28 HA ARG 28 16.385 10.012 1.197 45 HB2 ARG 28 HB2 ARG 28 16.933 8.101 2.827 46 HB3 ARG 28 HB3 ARG 28 18.485 7.913 2.042 47 HG2 ARG 28 HG2 ARG 28 17.486 10.243 3.709 48 HG3 ARG 28 HG3 ARG 28 18.611 8.991 4.189 49 HD2 ARG 28 HD2 ARG 28 20.202 9.920 2.407 50 HD3 ARG 28 HD3 ARG 28 19.073 11.300 2.308 51 HE ARG 28 HE ARG 28 19.722 10.805 5.041 52 HH11 ARG 28 HH11 ARG 28 21.245 12.243 2.208 53 HH12 ARG 28 HH12 ARG 28 22.354 13.162 3.195 54 HH21 ARG 28 HH21 ARG 28 21.139 12.031 6.201 55 HH22 ARG 28 HH22 ARG 28 22.276 13.060 5.384 56 HA PRO 29 HA PRO 29 19.592 10.612 -2.018 57 HB2 PRO 29 HB2 PRO 29 19.190 13.225 -2.578 58 HB3 PRO 29 HB3 PRO 29 17.927 11.993 -2.844 59 HG2 PRO 29 HG2 PRO 29 18.108 14.037 -0.647 60 HG3 PRO 29 HG3 PRO 29 16.698 13.378 -1.492 61 HD2 PRO 29 HD2 PRO 29 17.906 12.527 1.016 62 HD3 PRO 29 HD3 PRO 29 16.518 11.778 0.200 63 H LYS 30 H LYS 30 21.363 12.097 -2.629 64 HA LYS 30 HA LYS 30 22.903 13.259 -0.338 65 HB2 LYS 30 HB2 LYS 30 24.927 12.909 -1.603 66 HB3 LYS 30 HB3 LYS 30 24.084 11.384 -1.358 67 HG2 LYS 30 HG2 LYS 30 23.236 11.414 -3.658 68 HG3 LYS 30 HG3 LYS 30 23.961 12.993 -3.954 69 HD2 LYS 30 HD2 LYS 30 25.499 10.446 -3.287 70 HD3 LYS 30 HD3 LYS 30 25.261 11.101 -4.912 71 HE2 LYS 30 HE2 LYS 30 26.466 13.185 -4.257 72 HE3 LYS 30 HE3 LYS 30 26.730 12.525 -2.639 73 HZ1 LYS 30 HZ1 LYS 30 27.784 11.322 -5.151 74 HZ2 LYS 30 HZ2 LYS 30 28.664 12.153 -4.059 75 HZ3 LYS 30 HZ3 LYS 30 28.018 10.713 -3.653 76 H LEU 31 H LEU 31 24.282 15.180 -1.077 77 HA LEU 31 HA LEU 31 22.688 17.302 -1.328 78 HB2 LEU 31 HB2 LEU 31 24.961 17.354 -0.567 79 HB3 LEU 31 HB3 LEU 31 25.586 16.979 -2.166 80 HG LEU 31 HG LEU 31 24.790 19.152 -3.003 81 HD11 LEU 31 HD11 LEU 31 22.902 19.627 -1.498 82 HD12 LEU 31 HD12 LEU 31 24.000 19.666 -0.100 83 HD13 LEU 31 HD13 LEU 31 24.104 20.915 -1.355 84 HD21 LEU 31 HD21 LEU 31 26.447 20.540 -1.822 85 HD22 LEU 31 HD22 LEU 31 26.508 19.355 -0.497 86 HD23 LEU 31 HD23 LEU 31 27.079 18.913 -2.122 87 HA PRO 32 HA PRO 32 23.009 18.131 -6.043 88 HB2 PRO 32 HB2 PRO 32 23.722 16.120 -7.784 89 HB3 PRO 32 HB3 PRO 32 24.879 17.261 -7.038 90 HG2 PRO 32 HG2 PRO 32 24.165 14.468 -6.084 91 HG3 PRO 32 HG3 PRO 32 25.799 15.159 -6.365 92 HD2 PRO 32 HD2 PRO 32 24.777 15.134 -3.890 93 HD3 PRO 32 HD3 PRO 32 25.614 16.595 -4.480 94 H LEU 33 H LEU 33 21.872 14.960 -4.941 95 HA LEU 33 HA LEU 33 19.579 15.015 -6.814 96 HB2 LEU 33 HB2 LEU 33 20.314 13.075 -4.594 97 HB3 LEU 33 HB3 LEU 33 18.973 12.894 -5.723 98 HG LEU 33 HG LEU 33 21.948 12.831 -6.381 99 HD11 LEU 33 HD11 LEU 33 21.471 10.521 -7.045 100 HD12 LEU 33 HD12 LEU 33 21.006 10.787 -5.358 101 HD13 LEU 33 HD13 LEU 33 19.757 10.729 -6.623 102 HD21 LEU 33 HD21 LEU 33 20.912 13.909 -8.275 103 HD22 LEU 33 HD22 LEU 33 21.185 12.222 -8.711 104 HD23 LEU 33 HD23 LEU 33 19.552 12.765 -8.257 105 H LEU 34 H LEU 34 20.202 15.634 -3.371 106 HA LEU 34 HA LEU 34 17.496 16.245 -2.606 107 HB2 LEU 34 HB2 LEU 34 19.331 15.853 -1.040 108 HB3 LEU 34 HB3 LEU 34 20.209 17.240 -1.610 109 HG LEU 34 HG LEU 34 17.443 17.714 -0.406 110 HD11 LEU 34 HD11 LEU 34 18.567 16.192 1.173 111 HD12 LEU 34 HD12 LEU 34 20.011 17.231 1.166 112 HD13 LEU 34 HD13 LEU 34 18.472 17.835 1.822 113 HD21 LEU 34 HD21 LEU 34 20.114 19.227 -0.375 114 HD22 LEU 34 HD22 LEU 34 18.681 19.664 -1.329 115 HD23 LEU 34 HD23 LEU 34 18.630 19.758 0.428 116 H LYS 35 H LYS 35 19.995 18.179 -4.251 117 HA LYS 35 HA LYS 35 18.807 20.722 -4.149 118 HB2 LYS 35 HB2 LYS 35 21.087 19.670 -5.290 119 HB3 LYS 35 HB3 LYS 35 20.120 19.900 -6.734 120 HG2 LYS 35 HG2 LYS 35 21.254 21.943 -6.537 121 HG3 LYS 35 HG3 LYS 35 19.687 22.305 -5.822 122 HD2 LYS 35 HD2 LYS 35 21.157 23.209 -4.227 123 HD3 LYS 35 HD3 LYS 35 20.799 21.621 -3.549 124 HE2 LYS 35 HE2 LYS 35 23.124 21.923 -3.287 125 HE3 LYS 35 HE3 LYS 35 22.936 20.749 -4.590 126 HZ1 LYS 35 HZ1 LYS 35 24.595 22.474 -5.123 127 HZ2 LYS 35 HZ2 LYS 35 23.363 22.582 -6.183 128 HZ3 LYS 35 HZ3 LYS 35 23.493 23.661 -4.961 129 H ILE 36 H ILE 36 18.138 18.094 -6.379 130 HA ILE 36 HA ILE 36 16.450 19.461 -8.228 131 HB ILE 36 HB ILE 36 16.439 16.517 -7.438 132 HG12 ILE 36 HG12 ILE 36 17.991 17.849 -9.701 133 HG13 ILE 36 HG13 ILE 36 18.705 17.459 -8.150 134 HG21 ILE 36 HG21 ILE 36 15.582 17.777 -10.073 135 HG22 ILE 36 HG22 ILE 36 15.494 16.064 -9.633 136 HG23 ILE 36 HG23 ILE 36 14.450 17.227 -8.821 137 HD11 ILE 36 HD11 ILE 36 18.044 15.049 -8.488 138 HD12 ILE 36 HD12 ILE 36 17.703 15.487 -10.194 139 HD13 ILE 36 HD13 ILE 36 19.337 15.697 -9.504 140 H LEU 37 H LEU 37 15.551 17.354 -5.411 141 HA LEU 37 HA LEU 37 12.800 18.229 -5.611 142 HB2 LEU 37 HB2 LEU 37 14.290 16.202 -4.031 143 HB3 LEU 37 HB3 LEU 37 12.976 16.948 -3.179 144 HG LEU 37 HG LEU 37 11.495 16.526 -5.223 145 HD11 LEU 37 HD11 LEU 37 12.165 14.670 -6.704 146 HD12 LEU 37 HD12 LEU 37 13.216 16.079 -6.917 147 HD13 LEU 37 HD13 LEU 37 13.789 14.674 -5.983 148 HD21 LEU 37 HD21 LEU 37 11.055 14.194 -4.686 149 HD22 LEU 37 HD22 LEU 37 12.620 14.103 -3.854 150 HD23 LEU 37 HD23 LEU 37 11.338 15.143 -3.209 151 H HIS 38 H HIS 38 15.510 19.535 -3.748 152 HA HIS 38 HA HIS 38 13.944 21.373 -2.159 153 HB2 HIS 38 HB2 HIS 38 16.806 21.103 -2.967 154 HB3 HIS 38 HB3 HIS 38 16.269 22.740 -2.682 155 HD2 HIS 38 HD2 HIS 38 15.291 19.561 -0.634 156 HE1 HIS 38 HE1 HIS 38 16.997 22.418 2.042 157 HE2 HIS 38 HE2 HIS 38 15.898 20.136 1.885 158 H ALA 39 H ALA 39 15.137 21.640 -5.565 159 HA ALA 39 HA ALA 39 14.189 24.283 -5.975 160 HB1 ALA 39 HB1 ALA 39 14.280 23.751 -8.348 161 HB2 ALA 39 HB2 ALA 39 15.670 22.995 -7.540 162 HB3 ALA 39 HB3 ALA 39 14.252 22.021 -8.008 163 H ALA 40 H ALA 40 12.411 21.327 -5.601 164 HA ALA 40 HA ALA 40 9.847 22.590 -6.377 165 HB1 ALA 40 HB1 ALA 40 8.985 20.283 -6.380 166 HB2 ALA 40 HB2 ALA 40 10.388 20.479 -7.429 167 HB3 ALA 40 HB3 ALA 40 10.567 19.679 -5.850 168 H GLY 41 H GLY 41 11.501 23.013 -3.753 169 HA2 GLY 41 HA2 GLY 41 10.889 23.693 -1.662 170 HA3 GLY 41 HA3 GLY 41 9.202 23.419 -2.094 171 H ALA 42 H ALA 42 11.266 20.601 -2.324 172 HA ALA 42 HA ALA 42 9.779 19.279 -0.223 173 HB1 ALA 42 HB1 ALA 42 10.774 17.310 -1.179 174 HB2 ALA 42 HB2 ALA 42 10.488 18.402 -2.550 175 HB3 ALA 42 HB3 ALA 42 12.113 18.271 -1.843 176 H GLN 43 H GLN 43 11.546 17.476 0.756 177 HA GLN 43 HA GLN 43 13.994 18.776 1.869 178 HB2 GLN 43 HB2 GLN 43 11.998 17.136 3.500 179 HB3 GLN 43 HB3 GLN 43 13.586 17.681 4.059 180 HG2 GLN 43 HG2 GLN 43 12.861 20.056 3.750 181 HG3 GLN 43 HG3 GLN 43 11.244 19.485 3.317 182 HE21 GLN 43 HE22 GLN 43 10.005 18.247 5.020 183 HE22 GLN 43 HE21 GLN 43 10.380 18.589 6.703 184 H GLY 44 H GLY 44 14.321 17.502 -0.293 185 HA2 GLY 44 HA2 GLY 44 15.810 15.947 -1.156 186 HA3 GLY 44 HA3 GLY 44 15.947 15.188 0.430 187 H GLU 45 H GLU 45 15.271 13.163 0.349 188 HA GLU 45 HA GLU 45 12.838 12.267 -1.069 189 HB2 GLU 45 HB2 GLU 45 15.589 11.110 -1.676 190 HB3 GLU 45 HB3 GLU 45 14.078 10.305 -2.046 191 HG2 GLU 45 HG2 GLU 45 13.376 12.177 -3.448 192 HG3 GLU 45 HG3 GLU 45 14.966 12.933 -3.236 193 H MET 46 H MET 46 14.090 12.532 1.748 194 HA MET 46 HA MET 46 14.295 9.803 2.695 195 HB2 MET 46 HB2 MET 46 15.738 11.526 3.409 196 HB3 MET 46 HB3 MET 46 14.388 12.342 4.247 197 HG2 MET 46 HG2 MET 46 14.147 10.373 5.735 198 HG3 MET 46 HG3 MET 46 15.374 9.506 4.811 199 HE1 MET 46 HE1 MET 46 17.129 10.004 8.250 200 HE2 MET 46 HE2 MET 46 15.412 9.664 7.942 201 HE3 MET 46 HE3 MET 46 16.668 8.850 6.979 202 H PHE 47 H PHE 47 12.116 9.571 1.638 203 HA PHE 47 HA PHE 47 9.999 9.066 3.567 204 HB2 PHE 47 HB2 PHE 47 8.391 10.758 2.492 205 HB3 PHE 47 HB3 PHE 47 9.538 11.284 3.701 206 HD1 PHE 47 HD2 PHE 47 9.415 10.870 -0.043 207 HD2 PHE 47 HD1 PHE 47 10.665 13.313 3.279 208 HE1 PHE 47 HE2 PHE 47 10.140 12.640 -1.608 209 HE2 PHE 47 HE1 PHE 47 11.465 15.044 1.702 210 HZ PHE 47 HZ PHE 47 11.148 14.739 -0.742 211 H THR 48 H THR 48 7.860 8.583 2.434 212 HA THR 48 HA THR 48 8.285 6.271 0.910 213 HB THR 48 HB THR 48 5.568 7.541 0.902 214 HG1 THR 48 HG1 THR 48 6.697 6.584 3.307 215 HG21 THR 48 HG21 THR 48 6.586 4.779 1.699 216 HG22 THR 48 HG22 THR 48 4.908 5.319 1.884 217 HG23 THR 48 HG23 THR 48 5.613 5.206 0.275 218 H VAL 49 H VAL 49 7.159 5.598 -1.043 219 HA VAL 49 HA VAL 49 7.973 6.848 -3.404 220 HB VAL 49 HB VAL 49 5.686 4.893 -2.900 221 HG11 VAL 49 HG11 VAL 49 5.911 4.262 -5.307 222 HG12 VAL 49 HG12 VAL 49 5.210 5.862 -5.070 223 HG13 VAL 49 HG13 VAL 49 6.906 5.710 -5.558 224 HG21 VAL 49 HG21 VAL 49 8.539 4.497 -3.855 225 HG22 VAL 49 HG22 VAL 49 7.892 4.028 -2.272 226 HG23 VAL 49 HG23 VAL 49 7.306 3.224 -3.728 227 H LYS 50 H LYS 50 4.754 7.038 -1.887 228 HA LYS 50 HA LYS 50 3.635 8.792 -3.826 229 HB2 LYS 50 HB2 LYS 50 1.822 9.159 -2.190 230 HB3 LYS 50 HB3 LYS 50 2.233 7.450 -2.334 231 HG2 LYS 50 HG2 LYS 50 3.556 7.577 -0.237 232 HG3 LYS 50 HG3 LYS 50 3.179 9.303 -0.096 233 HD2 LYS 50 HD2 LYS 50 0.787 8.785 0.131 234 HD3 LYS 50 HD3 LYS 50 1.129 7.049 -0.063 235 HE2 LYS 50 HE2 LYS 50 2.567 7.088 1.953 236 HE3 LYS 50 HE3 LYS 50 2.301 8.824 2.133 237 HZ1 LYS 50 HZ1 LYS 50 0.167 6.751 2.323 238 HZ2 LYS 50 HZ2 LYS 50 0.821 7.547 3.587 239 HZ3 LYS 50 HZ3 LYS 50 -0.075 8.359 2.493 240 H GLU 51 H GLU 51 5.687 9.567 -1.125 241 HA GLU 51 HA GLU 51 5.087 12.448 -1.272 242 HB2 GLU 51 HB2 GLU 51 7.205 10.897 0.268 243 HB3 GLU 51 HB3 GLU 51 6.930 12.635 0.389 244 HG2 GLU 51 HG2 GLU 51 4.958 10.435 1.143 245 HG3 GLU 51 HG3 GLU 51 5.933 11.379 2.253 246 H VAL 52 H VAL 52 7.905 10.314 -2.221 247 HA VAL 52 HA VAL 52 9.396 12.440 -3.516 248 HB VAL 52 HB VAL 52 10.383 10.788 -4.928 249 HG11 VAL 52 HG11 VAL 52 11.352 11.182 -2.697 250 HG12 VAL 52 HG12 VAL 52 10.318 9.888 -2.018 251 HG13 VAL 52 HG13 VAL 52 11.587 9.511 -3.190 252 HG21 VAL 52 HG21 VAL 52 10.126 8.377 -4.559 253 HG22 VAL 52 HG22 VAL 52 8.760 8.717 -3.490 254 HG23 VAL 52 HG23 VAL 52 8.656 9.068 -5.242 255 H MET 53 H MET 53 6.951 10.322 -4.914 256 HA MET 53 HA MET 53 7.105 11.655 -7.468 257 HB2 MET 53 HB2 MET 53 5.376 10.334 -8.241 258 HB3 MET 53 HB3 MET 53 6.241 9.324 -7.083 259 HG2 MET 53 HG2 MET 53 4.504 9.942 -5.372 260 HG3 MET 53 HG3 MET 53 3.599 10.775 -6.632 261 HE1 MET 53 HE1 MET 53 2.472 7.897 -9.004 262 HE2 MET 53 HE2 MET 53 2.524 9.650 -8.713 263 HE3 MET 53 HE3 MET 53 3.998 8.776 -9.194 264 H HIS 54 H HIS 54 5.285 12.530 -4.606 265 HA HIS 54 HA HIS 54 3.482 14.453 -5.817 266 HB2 HIS 54 HB2 HIS 54 2.792 13.895 -3.685 267 HB3 HIS 54 HB3 HIS 54 4.410 13.683 -3.088 268 HD2 HIS 54 HD2 HIS 54 5.314 15.390 -1.483 269 HE1 HIS 54 HE1 HIS 54 3.067 18.802 -2.665 270 HE2 HIS 54 HE2 HIS 54 4.807 17.927 -1.027 271 H TYR 55 H TYR 55 6.518 15.031 -3.941 272 HA TYR 55 HA TYR 55 7.022 17.619 -4.771 273 HB2 TYR 55 HB2 TYR 55 9.024 15.414 -4.243 274 HB3 TYR 55 HB3 TYR 55 9.391 17.138 -4.275 275 HD1 TYR 55 HD2 TYR 55 7.783 18.621 -2.689 276 HD2 TYR 55 HD1 TYR 55 8.772 14.478 -2.126 277 HE1 TYR 55 HE2 TYR 55 7.206 18.828 -0.272 278 HE2 TYR 55 HE1 TYR 55 8.183 14.671 0.294 279 HH TYR 55 HH TYR 55 7.451 16.053 1.983 280 H LEU 56 H LEU 56 7.860 14.635 -6.606 281 HA LEU 56 HA LEU 56 9.251 16.044 -8.689 282 HB2 LEU 56 HB2 LEU 56 9.446 13.649 -7.968 283 HB3 LEU 56 HB3 LEU 56 7.955 13.300 -8.837 284 HG LEU 56 HG LEU 56 10.393 14.545 -10.194 285 HD11 LEU 56 HD11 LEU 56 11.163 12.509 -9.106 286 HD12 LEU 56 HD12 LEU 56 9.767 11.603 -9.723 287 HD13 LEU 56 HD13 LEU 56 11.012 12.199 -10.838 288 HD21 LEU 56 HD21 LEU 56 9.443 13.329 -12.194 289 HD22 LEU 56 HD22 LEU 56 8.030 12.899 -11.210 290 HD23 LEU 56 HD23 LEU 56 8.393 14.596 -11.577 291 H GLY 57 H GLY 57 5.779 15.050 -8.416 292 HA2 GLY 57 HA2 GLY 57 4.860 15.945 -10.942 293 HA3 GLY 57 HA3 GLY 57 3.932 15.952 -9.445 294 H GLN 58 H GLN 58 5.128 17.819 -7.860 295 HA GLN 58 HA GLN 58 4.499 20.292 -9.203 296 HB2 GLN 58 HB2 GLN 58 4.731 21.441 -7.209 297 HB3 GLN 58 HB3 GLN 58 3.933 19.904 -6.890 298 HG2 GLN 58 HG2 GLN 58 6.204 19.049 -6.103 299 HG3 GLN 58 HG3 GLN 58 6.777 20.718 -6.196 300 HE21 GLN 58 HE22 GLN 58 7.208 20.451 -3.786 301 HE22 GLN 58 HE21 GLN 58 5.846 20.520 -2.688 302 H TYR 59 H TYR 59 7.665 18.718 -8.608 303 HA TYR 59 HA TYR 59 9.322 20.853 -9.485 304 HB2 TYR 59 HB2 TYR 59 10.149 18.629 -8.641 305 HB3 TYR 59 HB3 TYR 59 9.632 17.892 -10.131 306 HD1 TYR 59 HD1 TYR 59 10.751 18.384 -12.301 307 HD2 TYR 59 HD2 TYR 59 12.207 19.961 -8.561 308 HE1 TYR 59 HE1 TYR 59 13.002 18.731 -13.318 309 HE2 TYR 59 HE2 TYR 59 14.436 20.322 -9.590 310 HH TYR 59 HH TYR 59 15.231 19.279 -12.904 311 H ILE 60 H ILE 60 7.676 18.344 -11.504 312 HA ILE 60 HA ILE 60 8.381 19.408 -14.078 313 HB ILE 60 HB ILE 60 5.837 17.992 -13.205 314 HG12 ILE 60 HG12 ILE 60 8.132 16.639 -14.651 315 HG13 ILE 60 HG13 ILE 60 8.133 16.754 -12.902 316 HG21 ILE 60 HG21 ILE 60 5.429 19.065 -15.336 317 HG22 ILE 60 HG22 ILE 60 6.988 18.502 -15.980 318 HG23 ILE 60 HG23 ILE 60 5.666 17.361 -15.657 319 HD11 ILE 60 HD11 ILE 60 5.877 15.702 -12.803 320 HD12 ILE 60 HD12 ILE 60 5.927 15.451 -14.552 321 HD13 ILE 60 HD13 ILE 60 7.104 14.641 -13.508 322 H MET 61 H MET 61 5.432 20.064 -12.047 323 HA MET 61 HA MET 61 4.429 22.017 -13.791 324 HB2 MET 61 HB2 MET 61 3.702 20.819 -11.313 325 HB3 MET 61 HB3 MET 61 3.659 22.568 -11.032 326 HG2 MET 61 HG2 MET 61 1.506 21.808 -11.855 327 HG3 MET 61 HG3 MET 61 2.278 22.813 -13.090 328 HE1 MET 61 HE1 MET 61 0.797 22.005 -15.058 329 HE2 MET 61 HE2 MET 61 0.389 20.303 -15.380 330 HE3 MET 61 HE3 MET 61 -0.175 21.085 -13.882 331 H VAL 62 H VAL 62 6.813 22.530 -11.236 332 HA VAL 62 HA VAL 62 6.909 25.426 -11.496 333 HB VAL 62 HB VAL 62 8.772 23.415 -10.296 334 HG11 VAL 62 HG11 VAL 62 9.984 25.327 -9.248 335 HG12 VAL 62 HG12 VAL 62 10.234 25.253 -10.990 336 HG13 VAL 62 HG13 VAL 62 9.098 26.444 -10.310 337 HG21 VAL 62 HG21 VAL 62 6.607 23.918 -9.126 338 HG22 VAL 62 HG22 VAL 62 8.029 24.389 -8.186 339 HG23 VAL 62 HG23 VAL 62 7.081 25.622 -9.050 340 H LYS 63 H LYS 63 9.015 22.815 -12.792 341 HA LYS 63 HA LYS 63 10.535 24.565 -14.550 342 HB2 LYS 63 HB2 LYS 63 10.328 21.626 -14.048 343 HB3 LYS 63 HB3 LYS 63 10.640 22.032 -15.718 344 HG2 LYS 63 HG2 LYS 63 12.744 21.711 -14.686 345 HG3 LYS 63 HG3 LYS 63 12.573 23.428 -15.055 346 HD2 LYS 63 HD2 LYS 63 11.870 23.761 -12.614 347 HD3 LYS 63 HD3 LYS 63 12.344 22.087 -12.317 348 HE2 LYS 63 HE2 LYS 63 14.154 24.277 -13.466 349 HE3 LYS 63 HE3 LYS 63 14.080 23.852 -11.758 350 HZ1 LYS 63 HZ1 LYS 63 15.938 22.754 -12.851 351 HZ2 LYS 63 HZ2 LYS 63 14.898 21.616 -12.329 352 HZ3 LYS 63 HZ3 LYS 63 14.986 21.975 -13.918 353 H GLN 64 H GLN 64 7.380 23.292 -14.827 354 HA GLN 64 HA GLN 64 5.799 23.251 -16.379 355 HB2 GLN 64 HB2 GLN 64 5.202 25.394 -17.352 356 HB3 GLN 64 HB3 GLN 64 5.645 25.468 -15.659 357 HG2 GLN 64 HG2 GLN 64 7.997 26.253 -16.504 358 HG3 GLN 64 HG3 GLN 64 7.191 26.526 -18.046 359 HE21 GLN 64 HE22 GLN 64 7.299 27.397 -14.572 360 HE22 GLN 64 HE21 GLN 64 6.471 28.941 -14.768 361 H LEU 65 H LEU 65 7.671 21.680 -17.162 362 HA LEU 65 HA LEU 65 8.334 22.227 -19.978 363 HB2 LEU 65 HB2 LEU 65 10.047 21.886 -18.134 364 HB3 LEU 65 HB3 LEU 65 9.581 20.196 -18.089 365 HG LEU 65 HG LEU 65 10.447 19.887 -20.383 366 HD11 LEU 65 HD11 LEU 65 9.899 21.976 -21.483 367 HD12 LEU 65 HD12 LEU 65 10.954 22.886 -20.372 368 HD13 LEU 65 HD13 LEU 65 11.644 21.744 -21.547 369 HD21 LEU 65 HD21 LEU 65 12.384 21.591 -18.754 370 HD22 LEU 65 HD22 LEU 65 12.024 19.889 -18.422 371 HD23 LEU 65 HD23 LEU 65 12.803 20.350 -19.953 372 H TYR 66 H TYR 66 5.718 21.389 -19.391 373 HA TYR 66 HA TYR 66 5.496 18.684 -20.613 374 HB2 TYR 66 HB2 TYR 66 3.090 18.894 -19.892 375 HB3 TYR 66 HB3 TYR 66 4.270 18.766 -18.603 376 HD1 TYR 66 HD2 TYR 66 2.147 21.217 -20.479 377 HD2 TYR 66 HD1 TYR 66 4.483 20.447 -16.946 378 HE1 TYR 66 HE2 TYR 66 1.292 23.329 -19.458 379 HE2 TYR 66 HE1 TYR 66 3.586 22.534 -15.898 380 HH TYR 66 HH TYR 66 2.241 24.393 -16.168 381 H ASP 67 H ASP 67 3.673 18.453 -22.229 382 HA ASP 67 HA ASP 67 4.113 20.347 -24.382 383 HB2 ASP 67 HB2 ASP 67 3.483 17.784 -24.491 384 HB3 ASP 67 HB3 ASP 67 1.840 18.368 -24.393 385 H GLN 68 H GLN 68 2.901 22.194 -24.990 386 HA GLN 68 HA GLN 68 0.892 23.341 -23.580 387 HB2 GLN 68 HB2 GLN 68 2.416 24.014 -25.588 388 HB3 GLN 68 HB3 GLN 68 1.169 23.347 -26.638 389 HG2 GLN 68 HG2 GLN 68 0.429 25.288 -24.471 390 HG3 GLN 68 HG3 GLN 68 1.330 25.870 -25.864 391 HE21 GLN 68 HE22 GLN 68 -1.662 23.785 -25.312 392 HE22 GLN 68 HE21 GLN 68 -2.523 24.541 -26.645 393 H GLN 69 H GLN 69 0.530 20.865 -26.200 394 HA GLN 69 HA GLN 69 -2.389 21.190 -26.242 395 HB2 GLN 69 HB2 GLN 69 -0.657 19.136 -27.658 396 HB3 GLN 69 HB3 GLN 69 -2.316 19.570 -28.041 397 HG2 GLN 69 HG2 GLN 69 0.145 21.337 -28.392 398 HG3 GLN 69 HG3 GLN 69 -0.749 20.525 -29.660 399 HE21 GLN 69 HE22 GLN 69 -0.278 23.264 -29.835 400 HE22 GLN 69 HE21 GLN 69 -1.800 24.111 -29.609 401 H GLU 70 H GLU 70 -0.227 19.424 -24.350 402 HA GLU 70 HA GLU 70 -2.357 17.969 -23.025 403 HB2 GLU 70 HB2 GLU 70 -1.183 15.699 -23.277 404 HB3 GLU 70 HB3 GLU 70 -2.303 16.260 -24.508 405 HG2 GLU 70 HG2 GLU 70 -0.383 16.955 -25.958 406 HG3 GLU 70 HG3 GLU 70 0.733 16.333 -24.742 407 H GLN 71 H GLN 71 -1.807 18.921 -21.179 408 HA GLN 71 HA GLN 71 0.754 19.170 -20.024 409 HB2 GLN 71 HB2 GLN 71 -1.962 18.864 -18.656 410 HB3 GLN 71 HB3 GLN 71 -0.479 19.406 -17.890 411 HG2 GLN 71 HG2 GLN 71 -1.585 21.396 -18.300 412 HG3 GLN 71 HG3 GLN 71 -0.406 21.316 -19.598 413 HE21 GLN 71 HE22 GLN 71 -2.147 23.091 -20.257 414 HE22 GLN 71 HE21 GLN 71 -3.423 22.471 -21.295 415 H HIS 72 H HIS 72 -1.127 16.282 -20.416 416 HA HIS 72 HA HIS 72 0.001 14.812 -18.226 417 HB2 HIS 72 HB2 HIS 72 -1.440 13.212 -18.782 418 HB3 HIS 72 HB3 HIS 72 -2.152 14.389 -19.861 419 HD2 HIS 72 HD2 HIS 72 -0.980 10.938 -19.874 420 HE1 HIS 72 HE1 HIS 72 -0.051 12.176 -23.846 421 HE2 HIS 72 HE2 HIS 72 -0.288 10.166 -22.302 422 H MET 73 H MET 73 1.301 15.703 -21.302 423 HA MET 73 HA MET 73 3.343 13.549 -21.259 424 HB2 MET 73 HB2 MET 73 2.132 13.905 -23.366 425 HB3 MET 73 HB3 MET 73 2.660 15.595 -23.398 426 HG2 MET 73 HG2 MET 73 4.058 14.233 -24.868 427 HG3 MET 73 HG3 MET 73 5.007 14.884 -23.537 428 HE1 MET 73 HE1 MET 73 7.008 11.656 -23.792 429 HE2 MET 73 HE2 MET 73 6.472 12.741 -25.093 430 HE3 MET 73 HE3 MET 73 7.011 13.416 -23.536 431 H VAL 74 H VAL 74 5.414 13.948 -20.698 432 HA VAL 74 HA VAL 74 6.179 16.736 -19.910 433 HB VAL 74 HB VAL 74 6.852 14.124 -18.504 434 HG11 VAL 74 HG11 VAL 74 7.362 17.049 -17.820 435 HG12 VAL 74 HG12 VAL 74 7.538 15.703 -16.673 436 HG13 VAL 74 HG13 VAL 74 8.572 15.773 -18.090 437 HG21 VAL 74 HG21 VAL 74 4.456 14.604 -18.215 438 HG22 VAL 74 HG22 VAL 74 5.323 14.942 -16.727 439 HG23 VAL 74 HG23 VAL 74 4.827 16.288 -17.784 440 H TYR 75 H TYR 75 8.181 17.429 -20.349 441 HA TYR 75 HA TYR 75 10.199 15.656 -21.658 442 HB2 TYR 75 HB2 TYR 75 9.494 18.563 -22.202 443 HB3 TYR 75 HB3 TYR 75 10.910 17.735 -22.842 444 HD1 TYR 75 HD1 TYR 75 10.620 15.611 -24.164 445 HD2 TYR 75 HD2 TYR 75 7.330 18.253 -23.267 446 HE1 TYR 75 HE1 TYR 75 9.243 14.440 -25.827 447 HE2 TYR 75 HE2 TYR 75 5.956 17.124 -25.020 448 HH TYR 75 HH TYR 75 7.222 14.401 -26.988 449 H CYS 76 H CYS 76 12.390 16.338 -21.301 450 HA CYS 76 HA CYS 76 12.974 17.917 -18.802 451 HB2 CYS 76 HB2 CYS 76 14.009 15.264 -19.790 452 HB3 CYS 76 HB3 CYS 76 14.684 16.123 -18.386 453 HG CYS 76 HG CYS 76 12.236 16.270 -17.167 454 H GLY 77 H GLY 77 14.126 16.983 -22.075 455 HA2 GLY 77 HA2 GLY 77 16.059 17.526 -23.231 456 HA3 GLY 77 HA3 GLY 77 16.020 19.054 -22.361 457 H GLY 78 H GLY 78 17.970 19.418 -21.480 458 HA2 GLY 78 HA2 GLY 78 19.747 17.281 -20.525 459 HA3 GLY 78 HA3 GLY 78 20.092 19.003 -20.608 460 H ASP 79 H ASP 79 17.087 18.222 -18.833 461 HA ASP 79 HA ASP 79 18.207 19.510 -16.554 462 HB2 ASP 79 HB2 ASP 79 15.876 19.708 -17.417 463 HB3 ASP 79 HB3 ASP 79 15.556 18.061 -16.858 464 H LEU 80 H LEU 80 18.432 18.787 -14.457 465 HA LEU 80 HA LEU 80 19.757 16.345 -13.979 466 HB2 LEU 80 HB2 LEU 80 18.469 18.412 -12.183 467 HB3 LEU 80 HB3 LEU 80 19.122 16.903 -11.553 468 HG LEU 80 HG LEU 80 21.343 17.380 -12.479 469 HD11 LEU 80 HD11 LEU 80 20.163 20.101 -13.195 470 HD12 LEU 80 HD12 LEU 80 21.897 19.720 -13.143 471 HD13 LEU 80 HD13 LEU 80 20.869 18.913 -14.323 472 HD21 LEU 80 HD21 LEU 80 21.912 19.121 -10.831 473 HD22 LEU 80 HD22 LEU 80 20.196 19.562 -10.686 474 HD23 LEU 80 HD23 LEU 80 20.760 17.962 -10.155 475 H LEU 81 H LEU 81 16.308 17.034 -14.050 476 HA LEU 81 HA LEU 81 15.443 14.624 -12.683 477 HB2 LEU 81 HB2 LEU 81 13.981 16.541 -12.900 478 HB3 LEU 81 HB3 LEU 81 14.078 16.492 -14.662 479 HG LEU 81 HG LEU 81 12.892 14.306 -14.674 480 HD11 LEU 81 HD11 LEU 81 13.550 13.404 -12.468 481 HD12 LEU 81 HD12 LEU 81 12.668 14.717 -11.655 482 HD13 LEU 81 HD13 LEU 81 11.798 13.494 -12.608 483 HD21 LEU 81 HD21 LEU 81 11.612 16.446 -14.775 484 HD22 LEU 81 HD22 LEU 81 10.699 15.104 -14.063 485 HD23 LEU 81 HD23 LEU 81 11.394 16.347 -13.011 486 H GLY 82 H GLY 82 16.070 15.382 -16.152 487 HA2 GLY 82 HA2 GLY 82 15.334 12.747 -17.165 488 HA3 GLY 82 HA3 GLY 82 16.323 13.958 -17.987 489 H GLU 83 H GLU 83 18.419 14.250 -15.977 490 HA GLU 83 HA GLU 83 20.099 12.010 -16.542 491 HB2 GLU 83 HB2 GLU 83 21.012 14.165 -16.247 492 HB3 GLU 83 HB3 GLU 83 20.099 14.438 -14.777 493 HG2 GLU 83 HG2 GLU 83 22.374 14.189 -14.240 494 HG3 GLU 83 HG3 GLU 83 21.398 12.908 -13.531 495 H LEU 84 H LEU 84 18.100 12.850 -13.667 496 HA LEU 84 HA LEU 84 18.935 10.636 -12.071 497 HB2 LEU 84 HB2 LEU 84 17.978 12.640 -11.112 498 HB3 LEU 84 HB3 LEU 84 16.489 12.440 -12.025 499 HG LEU 84 HG LEU 84 15.887 10.451 -10.729 500 HD11 LEU 84 HD11 LEU 84 17.155 9.865 -8.672 501 HD12 LEU 84 HD12 LEU 84 18.089 9.537 -10.133 502 HD13 LEU 84 HD13 LEU 84 18.450 10.977 -9.162 503 HD21 LEU 84 HD21 LEU 84 15.197 12.689 -9.957 504 HD22 LEU 84 HD22 LEU 84 15.453 11.585 -8.598 505 HD23 LEU 84 HD23 LEU 84 16.677 12.816 -8.979 506 H LEU 85 H LEU 85 16.062 11.089 -14.157 507 HA LEU 85 HA LEU 85 14.920 8.480 -13.660 508 HB2 LEU 85 HB2 LEU 85 14.557 10.550 -15.859 509 HB3 LEU 85 HB3 LEU 85 13.588 9.091 -15.779 510 HG LEU 85 HG LEU 85 13.670 11.183 -13.551 511 HD11 LEU 85 HD11 LEU 85 11.477 11.890 -14.443 512 HD12 LEU 85 HD12 LEU 85 12.749 12.098 -15.661 513 HD13 LEU 85 HD13 LEU 85 11.631 10.726 -15.774 514 HD21 LEU 85 HD21 LEU 85 11.605 10.119 -12.786 515 HD22 LEU 85 HD22 LEU 85 11.715 8.919 -14.089 516 HD23 LEU 85 HD23 LEU 85 12.928 8.945 -12.785 517 H GLY 86 H GLY 86 17.337 9.596 -16.008 518 HA2 GLY 86 HA2 GLY 86 18.679 8.332 -17.447 519 HA3 GLY 86 HA3 GLY 86 17.786 6.861 -17.040 520 H ARG 87 H ARG 87 15.515 9.140 -17.647 521 HA ARG 87 HA ARG 87 15.439 9.117 -20.610 522 HB2 ARG 87 HB2 ARG 87 13.229 8.194 -18.688 523 HB3 ARG 87 HB3 ARG 87 12.863 8.863 -20.277 524 HG2 ARG 87 HG2 ARG 87 14.136 7.068 -21.378 525 HG3 ARG 87 HG3 ARG 87 14.566 6.382 -19.803 526 HD2 ARG 87 HD2 ARG 87 12.660 5.186 -20.854 527 HD3 ARG 87 HD3 ARG 87 12.248 5.915 -19.290 528 HE ARG 87 HE ARG 87 11.571 7.774 -21.339 529 HH11 ARG 87 HH11 ARG 87 10.311 4.598 -20.389 530 HH12 ARG 87 HH12 ARG 87 8.671 5.149 -20.770 531 HH21 ARG 87 HH21 ARG 87 9.451 8.280 -21.636 532 HH22 ARG 87 HH22 ARG 87 8.245 6.976 -21.479 533 H GLN 88 H GLN 88 14.853 10.925 -21.458 534 HA GLN 88 HA GLN 88 14.250 13.142 -19.591 535 HB2 GLN 88 HB2 GLN 88 15.584 14.516 -20.880 536 HB3 GLN 88 HB3 GLN 88 16.394 12.971 -21.012 537 HG2 GLN 88 HG2 GLN 88 15.037 12.640 -23.181 538 HG3 GLN 88 HG3 GLN 88 14.595 14.369 -22.981 539 HE21 GLN 88 HE22 GLN 88 17.589 12.268 -23.111 540 HE22 GLN 88 HE21 GLN 88 18.509 13.468 -24.002 541 H SER 89 H SER 89 12.309 11.201 -21.167 542 HA SER 89 HA SER 89 10.226 13.201 -21.120 543 HB2 SER 89 HB2 SER 89 9.282 12.746 -23.324 544 HB3 SER 89 HB3 SER 89 10.896 13.453 -23.445 545 HG SER 89 HG SER 89 10.665 11.676 -24.885 546 H PHE 90 H PHE 90 8.239 12.380 -20.649 547 HA PHE 90 HA PHE 90 7.551 9.552 -20.602 548 HB2 PHE 90 HB2 PHE 90 7.485 9.320 -18.167 549 HB3 PHE 90 HB3 PHE 90 9.119 9.573 -18.719 550 HD1 PHE 90 HD2 PHE 90 10.329 11.681 -18.215 551 HD2 PHE 90 HD1 PHE 90 6.325 10.969 -16.768 552 HE1 PHE 90 HE2 PHE 90 10.595 13.510 -16.561 553 HE2 PHE 90 HE1 PHE 90 6.601 12.803 -15.121 554 HZ PHE 90 HZ PHE 90 8.752 14.053 -14.998 555 H SER 91 H SER 91 5.382 9.358 -19.167 556 HA SER 91 HA SER 91 3.869 11.902 -19.178 557 HB2 SER 91 HB2 SER 91 2.179 11.178 -20.633 558 HB3 SER 91 HB3 SER 91 3.674 10.713 -21.452 559 HG SER 91 HG SER 91 2.423 8.911 -21.518 560 H VAL 92 H VAL 92 1.611 11.587 -18.348 561 HA VAL 92 HA VAL 92 1.493 10.138 -15.857 562 HB VAL 92 HB VAL 92 -0.678 11.382 -17.576 563 HG11 VAL 92 HG11 VAL 92 -1.816 9.847 -16.073 564 HG12 VAL 92 HG12 VAL 92 -0.867 10.438 -14.691 565 HG13 VAL 92 HG13 VAL 92 -2.045 11.495 -15.495 566 HG21 VAL 92 HG21 VAL 92 0.738 12.397 -15.072 567 HG22 VAL 92 HG22 VAL 92 1.037 12.985 -16.718 568 HG23 VAL 92 HG23 VAL 92 -0.536 13.245 -15.971 569 H LYS 93 H LYS 93 0.963 9.047 -19.131 570 HA LYS 93 HA LYS 93 -0.355 6.520 -18.223 571 HB2 LYS 93 HB2 LYS 93 0.212 7.633 -20.999 572 HB3 LYS 93 HB3 LYS 93 -0.508 6.060 -20.687 573 HG2 LYS 93 HG2 LYS 93 -1.744 8.723 -19.861 574 HG3 LYS 93 HG3 LYS 93 -2.172 7.780 -21.290 575 HD2 LYS 93 HD2 LYS 93 -2.844 5.875 -19.798 576 HD3 LYS 93 HD3 LYS 93 -2.535 6.912 -18.386 577 HE2 LYS 93 HE2 LYS 93 -4.196 8.553 -19.217 578 HE3 LYS 93 HE3 LYS 93 -4.497 7.542 -20.636 579 HZ1 LYS 93 HZ1 LYS 93 -5.305 5.789 -19.138 580 HZ2 LYS 93 HZ2 LYS 93 -5.029 6.720 -17.823 581 HZ3 LYS 93 HZ3 LYS 93 -6.164 7.155 -18.910 582 H ASP 94 H ASP 94 2.764 7.721 -19.109 583 HA ASP 94 HA ASP 94 3.895 4.976 -18.768 584 HB2 ASP 94 HB2 ASP 94 3.933 5.683 -21.130 585 HB3 ASP 94 HB3 ASP 94 4.825 7.139 -20.687 586 HA PRO 95 HA PRO 95 5.869 7.942 -15.729 587 HB2 PRO 95 HB2 PRO 95 4.897 7.108 -13.357 588 HB3 PRO 95 HB3 PRO 95 3.893 8.081 -14.474 589 HG2 PRO 95 HG2 PRO 95 3.934 5.041 -14.210 590 HG3 PRO 95 HG3 PRO 95 2.510 6.127 -14.112 591 HD2 PRO 95 HD2 PRO 95 3.221 4.901 -16.443 592 HD3 PRO 95 HD3 PRO 95 2.561 6.565 -16.411 593 H SER 96 H SER 96 6.043 4.666 -16.437 594 HA SER 96 HA SER 96 7.249 3.230 -14.561 595 HB2 SER 96 HB2 SER 96 8.111 3.296 -17.470 596 HB3 SER 96 HB3 SER 96 8.346 1.949 -16.335 597 HG SER 96 HG SER 96 6.434 1.730 -17.652 598 HA PRO 97 HA PRO 97 11.786 4.556 -15.316 599 HB2 PRO 97 HB2 PRO 97 12.352 7.191 -15.930 600 HB3 PRO 97 HB3 PRO 97 12.241 5.855 -17.105 601 HG2 PRO 97 HG2 PRO 97 10.081 7.847 -16.329 602 HG3 PRO 97 HG3 PRO 97 10.596 7.369 -17.979 603 HD2 PRO 97 HD2 PRO 97 8.442 6.262 -16.881 604 HD3 PRO 97 HD3 PRO 97 9.587 5.220 -17.760 605 H LEU 98 H LEU 98 9.385 6.704 -13.831 606 HA LEU 98 HA LEU 98 11.098 7.729 -11.712 607 HB2 LEU 98 HB2 LEU 98 8.958 8.712 -12.523 608 HB3 LEU 98 HB3 LEU 98 8.064 7.355 -11.855 609 HG LEU 98 HG LEU 98 9.761 9.233 -10.168 610 HD11 LEU 98 HD11 LEU 98 6.773 9.327 -10.759 611 HD12 LEU 98 HD12 LEU 98 7.639 10.368 -9.604 612 HD13 LEU 98 HD13 LEU 98 7.997 10.481 -11.333 613 HD21 LEU 98 HD21 LEU 98 8.251 8.476 -8.321 614 HD22 LEU 98 HD22 LEU 98 7.499 7.310 -9.432 615 HD23 LEU 98 HD23 LEU 98 9.205 7.152 -8.965 616 H TYR 99 H TYR 99 8.729 5.048 -11.896 617 HA TYR 99 HA TYR 99 9.320 4.005 -9.312 618 HB2 TYR 99 HB2 TYR 99 8.180 2.610 -11.772 619 HB3 TYR 99 HB3 TYR 99 8.214 1.933 -10.150 620 HD1 TYR 99 HD1 TYR 99 6.826 2.848 -8.328 621 HD2 TYR 99 HD2 TYR 99 6.516 4.314 -12.378 622 HE1 TYR 99 HE1 TYR 99 4.636 3.896 -7.782 623 HE2 TYR 99 HE2 TYR 99 4.320 5.351 -11.825 624 HH TYR 99 HH TYR 99 2.837 5.089 -8.575 625 H ASP 100 H ASP 100 10.740 3.251 -12.527 626 HA ASP 100 HA ASP 100 12.486 1.211 -11.600 627 HB2 ASP 100 HB2 ASP 100 11.917 1.869 -13.990 628 HB3 ASP 100 HB3 ASP 100 13.046 3.205 -13.829 629 H MET 101 H MET 101 12.812 4.730 -11.532 630 HA MET 101 HA MET 101 15.523 4.878 -10.587 631 HB2 MET 101 HB2 MET 101 15.021 6.972 -11.148 632 HB3 MET 101 HB3 MET 101 13.294 6.681 -11.073 633 HG2 MET 101 HG2 MET 101 13.418 6.983 -8.578 634 HG3 MET 101 HG3 MET 101 15.060 7.594 -8.808 635 HE1 MET 101 HE1 MET 101 11.370 8.179 -8.624 636 HE2 MET 101 HE2 MET 101 12.387 8.981 -7.402 637 HE3 MET 101 HE3 MET 101 11.396 9.960 -8.497 638 H LEU 102 H LEU 102 12.382 4.730 -8.784 639 HA LEU 102 HA LEU 102 13.935 4.639 -6.280 640 HB2 LEU 102 HB2 LEU 102 11.810 4.790 -5.115 641 HB3 LEU 102 HB3 LEU 102 12.198 6.109 -6.220 642 HG LEU 102 HG LEU 102 10.590 5.018 -7.882 643 HD11 LEU 102 HD11 LEU 102 10.236 2.809 -7.026 644 HD12 LEU 102 HD12 LEU 102 9.870 3.432 -5.405 645 HD13 LEU 102 HD13 LEU 102 8.740 3.693 -6.752 646 HD21 LEU 102 HD21 LEU 102 8.666 6.058 -6.837 647 HD22 LEU 102 HD22 LEU 102 9.500 6.062 -5.257 648 HD23 LEU 102 HD23 LEU 102 10.105 7.048 -6.606 649 H ARG 103 H ARG 103 12.336 2.144 -8.140 650 HA ARG 103 HA ARG 103 12.081 0.264 -6.032 651 HB2 ARG 103 HB2 ARG 103 11.883 -1.431 -7.778 652 HB3 ARG 103 HB3 ARG 103 11.079 0.049 -8.289 653 HG2 ARG 103 HG2 ARG 103 12.061 -0.615 -10.215 654 HG3 ARG 103 HG3 ARG 103 13.207 0.578 -9.612 655 HD2 ARG 103 HD2 ARG 103 14.743 -1.216 -8.914 656 HD3 ARG 103 HD3 ARG 103 13.536 -2.437 -9.383 657 HE ARG 103 HE ARG 103 14.051 -0.752 -11.635 658 HH11 ARG 103 HH11 ARG 103 15.834 -3.206 -9.843 659 HH12 ARG 103 HH12 ARG 103 16.829 -3.564 -11.229 660 HH21 ARG 103 HH21 ARG 103 15.237 -1.221 -13.231 661 HH22 ARG 103 HH22 ARG 103 16.503 -2.454 -13.167 662 H LYS 104 H LYS 104 14.812 1.269 -7.737 663 HA LYS 104 HA LYS 104 16.804 -0.660 -6.871 664 HB2 LYS 104 HB2 LYS 104 17.017 0.718 -8.857 665 HB3 LYS 104 HB3 LYS 104 16.879 2.201 -7.902 666 HG2 LYS 104 HG2 LYS 104 19.040 1.890 -6.916 667 HG3 LYS 104 HG3 LYS 104 19.169 0.238 -7.548 668 HD2 LYS 104 HD2 LYS 104 20.529 1.897 -8.817 669 HD3 LYS 104 HD3 LYS 104 19.363 1.023 -9.818 670 HE2 LYS 104 HE2 LYS 104 17.828 2.945 -9.808 671 HE3 LYS 104 HE3 LYS 104 18.881 3.821 -8.690 672 HZ1 LYS 104 HZ1 LYS 104 19.642 3.009 -11.458 673 HZ2 LYS 104 HZ2 LYS 104 19.262 4.528 -10.994 674 HZ3 LYS 104 HZ3 LYS 104 20.614 3.818 -10.423 675 H ASN 105 H ASN 105 15.321 2.136 -5.318 676 HA ASN 105 HA ASN 105 17.375 2.123 -3.162 677 HB2 ASN 105 HB2 ASN 105 15.203 4.089 -3.947 678 HB3 ASN 105 HB3 ASN 105 16.135 4.209 -2.449 679 HD21 ASN 105 HD22 ASN 105 18.566 4.355 -2.657 680 HD22 ASN 105 HD21 ASN 105 19.181 5.154 -4.092 681 H LEU 106 H LEU 106 13.715 1.738 -3.362 682 HA LEU 106 HA LEU 106 14.021 0.119 -0.895 683 HB2 LEU 106 HB2 LEU 106 12.209 1.024 0.172 684 HB3 LEU 106 HB3 LEU 106 13.119 2.390 -0.405 685 HG LEU 106 HG LEU 106 10.920 3.011 -0.643 686 HD11 LEU 106 HD11 LEU 106 10.437 3.370 -2.937 687 HD12 LEU 106 HD12 LEU 106 12.192 3.434 -2.750 688 HD13 LEU 106 HD13 LEU 106 11.421 1.992 -3.448 689 HD21 LEU 106 HD21 LEU 106 9.861 0.836 -0.278 690 HD22 LEU 106 HD22 LEU 106 9.093 1.770 -1.572 691 HD23 LEU 106 HD23 LEU 106 10.160 0.419 -1.977 692 H VAL 107 H VAL 107 12.391 -1.493 -0.545 693 HA VAL 107 HA VAL 107 12.042 -3.011 -2.990 694 HB VAL 107 HB VAL 107 12.762 -4.138 -1.054 695 HG11 VAL 107 HG11 VAL 107 10.099 -3.642 0.328 696 HG12 VAL 107 HG12 VAL 107 11.452 -4.621 0.911 697 HG13 VAL 107 HG13 VAL 107 11.641 -2.872 0.763 698 HG21 VAL 107 HG21 VAL 107 11.435 -5.382 -2.724 699 HG22 VAL 107 HG22 VAL 107 11.304 -6.070 -1.098 700 HG23 VAL 107 HG23 VAL 107 9.967 -5.108 -1.754 701 H THR 108 H THR 108 10.620 -2.297 -4.407 702 HA THR 108 HA THR 108 7.766 -2.464 -3.769 703 HB THR 108 HB THR 108 8.509 -0.094 -3.236 704 HG1 THR 108 HG1 THR 108 6.397 -0.344 -3.443 705 HG21 THR 108 HG21 THR 108 8.596 0.257 -6.245 706 HG22 THR 108 HG22 THR 108 8.576 1.526 -5.009 707 HG23 THR 108 HG23 THR 108 9.963 0.425 -5.113 708 H LEU 109 H LEU 109 6.541 -1.660 -5.803 709 HA LEU 109 HA LEU 109 7.525 -3.307 -8.102 710 HB2 LEU 109 HB2 LEU 109 5.175 -3.850 -8.539 711 HB3 LEU 109 HB3 LEU 109 5.777 -4.409 -6.985 712 HG LEU 109 HG LEU 109 4.545 -2.538 -5.851 713 HD11 LEU 109 HD11 LEU 109 4.226 -0.898 -7.622 714 HD12 LEU 109 HD12 LEU 109 3.375 -2.093 -8.636 715 HD13 LEU 109 HD13 LEU 109 2.650 -1.496 -7.128 716 HD21 LEU 109 HD21 LEU 109 2.873 -4.395 -7.593 717 HD22 LEU 109 HD22 LEU 109 3.630 -4.819 -6.041 718 HD23 LEU 109 HD23 LEU 109 2.347 -3.603 -6.089 719 H ALA 110 H ALA 110 6.258 -2.835 -10.166 720 HA ALA 110 HA ALA 110 5.511 -0.024 -10.542 721 HB1 ALA 110 HB1 ALA 110 6.876 0.231 -12.546 722 HB2 ALA 110 HB2 ALA 110 7.945 -0.162 -11.171 723 HB3 ALA 110 HB3 ALA 110 7.513 -1.416 -12.363 724 H THR 111 H THR 111 4.440 0.365 -12.639 725 HA THR 111 HA THR 111 3.245 -1.919 -14.031 726 HB THR 111 HB THR 111 2.158 -1.819 -11.820 727 HG1 THR 111 HG1 THR 111 0.103 -2.115 -12.726 728 HG21 THR 111 HG21 THR 111 0.812 0.744 -12.786 729 HG22 THR 111 HG22 THR 111 0.448 -0.165 -11.306 730 HG23 THR 111 HG23 THR 111 2.013 0.639 -11.479 731 HD1 49H 200 HD1 49H 200 1.377 13.810 -13.174 732 HD2 49H 200 HD2 49H 200 2.458 12.784 -9.130 733 HD3 49H 200 HD3 49H 200 0.261 11.343 -12.712 734 HD4 49H 200 HD4 49H 200 -0.925 11.070 -8.585 735 HD5 49H 200 HD5 49H 200 -3.136 13.714 -13.777 736 HE1 49H 200 HE1 49H 200 3.527 12.908 -13.976 737 HE2 49H 200 HE2 49H 200 4.613 11.889 -9.950 738 HE4 49H 200 HE4 49H 200 -0.347 8.666 -8.581 739 HE5 49H 200 HE5 49H 200 -3.793 14.558 -15.966 740 HE6 49H 200 HE6 49H 200 -0.402 17.163 -16.025 741 HZ2 49H 200 HZ2 49H 200 0.571 7.602 -10.632 742 HM11 49H 200 HM11 49H 200 -3.909 15.204 -18.189 743 HM12 49H 200 HM12 49H 200 -4.559 16.625 -17.313 744 HM13 49H 200 HM13 49H 200 -3.801 16.828 -18.917 745 HM21 49H 200 HM21 49H 200 3.090 16.234 -16.078 746 HM22 49H 200 HM22 49H 200 2.598 14.895 -15.033 747 HM23 49H 200 HM23 49H 200 1.477 15.545 -16.233 748 HM31 49H 200 HM31 49H 200 3.207 16.213 -12.984 749 HM32 49H 200 HM32 49H 200 3.691 17.626 -13.941 750 HM33 49H 200 HM33 49H 200 2.478 17.791 -12.670 751 HN1 49H 200 HN1 49H 200 -3.171 20.284 -10.758 752 H21 49H 200 H21 49H 200 -2.984 17.908 -9.569 753 H22 49H 200 H22 49H 200 -4.036 18.085 -10.988 754 H31 49H 200 H31 49H 200 -2.477 16.141 -11.074 755 H32 49H 200 H32 49H 200 -2.326 17.239 -12.465 756 H41 49H 200 H41 49H 200 0.399 18.901 -11.981 757 H42 49H 200 H42 49H 200 0.422 18.833 -10.206 758 H7 49H 200 H7 49H 200 -1.416 13.043 -9.789 759 H8 49H 200 H8 49H 200 0.526 14.167 -9.518 760 H9 49H 200 H9 49H 200 1.449 17.762 -14.976 Start of MODEL 9 1 H1 GLN 23 H GLN 23 13.735 3.477 11.947 2 HA GLN 23 HA GLN 23 14.828 5.036 9.833 3 HB2 GLN 23 HB2 GLN 23 15.789 3.349 8.391 4 HB3 GLN 23 HB3 GLN 23 16.649 3.404 9.928 5 HG2 GLN 23 HG2 GLN 23 15.403 1.372 10.687 6 HG3 GLN 23 HG3 GLN 23 14.565 1.314 9.135 7 HE21 GLN 23 HE22 GLN 23 15.745 -0.978 9.600 8 HE22 GLN 23 HE21 GLN 23 17.287 -1.116 8.764 9 H ILE 24 H ILE 24 13.843 4.508 7.665 10 HA ILE 24 HA ILE 24 11.100 3.363 7.926 11 HB ILE 24 HB ILE 24 10.456 5.096 6.256 12 HG12 ILE 24 HG12 ILE 24 12.928 6.577 7.261 13 HG13 ILE 24 HG13 ILE 24 12.635 6.031 5.616 14 HG21 ILE 24 HG21 ILE 24 9.769 6.662 7.977 15 HG22 ILE 24 HG22 ILE 24 9.723 5.027 8.632 16 HG23 ILE 24 HG23 ILE 24 11.072 6.107 9.057 17 HD11 ILE 24 HD11 ILE 24 11.279 8.298 7.123 18 HD12 ILE 24 HD12 ILE 24 12.178 8.363 5.603 19 HD13 ILE 24 HD13 ILE 24 10.573 7.640 5.642 20 H ASN 25 H ASN 25 10.085 2.560 6.060 21 HA ASN 25 HA ASN 25 12.011 1.265 4.272 22 HB2 ASN 25 HB2 ASN 25 9.229 0.660 5.174 23 HB3 ASN 25 HB3 ASN 25 9.779 -0.043 3.658 24 HD21 ASN 25 HD22 ASN 25 11.349 0.413 6.881 25 HD22 ASN 25 HD21 ASN 25 11.865 -1.267 6.982 26 H GLN 26 H GLN 26 12.334 3.366 3.349 27 HA GLN 26 HA GLN 26 11.120 3.878 0.757 28 HB2 GLN 26 HB2 GLN 26 10.387 6.206 1.371 29 HB3 GLN 26 HB3 GLN 26 9.336 4.882 1.764 30 HG2 GLN 26 HG2 GLN 26 11.033 5.455 4.054 31 HG3 GLN 26 HG3 GLN 26 10.317 6.937 3.488 32 HE21 GLN 26 HE22 GLN 26 8.791 3.599 3.501 33 HE22 GLN 26 HE21 GLN 26 7.603 4.052 4.701 34 H VAL 27 H VAL 27 12.037 6.434 0.242 35 HA VAL 27 HA VAL 27 14.887 5.722 0.023 36 HB VAL 27 HB VAL 27 14.668 8.007 -1.450 37 HG11 VAL 27 HG11 VAL 27 14.467 6.610 -3.406 38 HG12 VAL 27 HG12 VAL 27 15.528 5.854 -2.219 39 HG13 VAL 27 HG13 VAL 27 13.847 5.266 -2.421 40 HG21 VAL 27 HG21 VAL 27 11.936 6.717 -1.832 41 HG22 VAL 27 HG22 VAL 27 12.225 8.298 -1.064 42 HG23 VAL 27 HG23 VAL 27 12.660 8.045 -2.752 43 H ARG 28 H ARG 28 16.459 7.565 -0.043 44 HA ARG 28 HA ARG 28 16.104 9.916 1.556 45 HB2 ARG 28 HB2 ARG 28 16.511 8.061 3.277 46 HB3 ARG 28 HB3 ARG 28 18.057 7.728 2.537 47 HG2 ARG 28 HG2 ARG 28 17.260 10.223 4.085 48 HG3 ARG 28 HG3 ARG 28 18.221 8.874 4.652 49 HD2 ARG 28 HD2 ARG 28 19.909 9.539 2.792 50 HD3 ARG 28 HD3 ARG 28 18.989 11.068 2.746 51 HE ARG 28 HE ARG 28 19.614 10.483 5.449 52 HH11 ARG 28 HH11 ARG 28 21.331 11.549 2.561 53 HH12 ARG 28 HH12 ARG 28 22.587 12.305 3.510 54 HH21 ARG 28 HH21 ARG 28 21.234 11.492 6.561 55 HH22 ARG 28 HH22 ARG 28 22.521 12.286 5.704 56 HA PRO 29 HA PRO 29 19.185 10.456 -1.677 57 HB2 PRO 29 HB2 PRO 29 19.087 13.121 -1.982 58 HB3 PRO 29 HB3 PRO 29 17.575 12.176 -2.044 59 HG2 PRO 29 HG2 PRO 29 18.767 13.583 0.390 60 HG3 PRO 29 HG3 PRO 29 17.158 13.839 -0.330 61 HD2 PRO 29 HD2 PRO 29 17.578 12.085 1.734 62 HD3 PRO 29 HD3 PRO 29 16.396 11.730 0.462 63 H LYS 30 H LYS 30 20.998 11.952 -2.312 64 HA LYS 30 HA LYS 30 22.848 12.800 -0.137 65 HB2 LYS 30 HB2 LYS 30 24.765 12.200 -1.477 66 HB3 LYS 30 HB3 LYS 30 23.780 10.778 -1.151 67 HG2 LYS 30 HG2 LYS 30 22.832 10.847 -3.407 68 HG3 LYS 30 HG3 LYS 30 23.713 12.329 -3.782 69 HD2 LYS 30 HD2 LYS 30 24.995 9.646 -3.107 70 HD3 LYS 30 HD3 LYS 30 24.740 10.273 -4.741 71 HE2 LYS 30 HE2 LYS 30 26.188 12.239 -4.218 72 HE3 LYS 30 HE3 LYS 30 26.473 11.597 -2.597 73 HZ1 LYS 30 HZ1 LYS 30 28.274 10.986 -4.106 74 HZ2 LYS 30 HZ2 LYS 30 27.506 9.633 -3.622 75 HZ3 LYS 30 HZ3 LYS 30 27.252 10.226 -5.124 76 H LEU 31 H LEU 31 24.337 14.568 -0.977 77 HA LEU 31 HA LEU 31 22.962 16.821 -1.225 78 HB2 LEU 31 HB2 LEU 31 25.250 16.715 -0.595 79 HB3 LEU 31 HB3 LEU 31 25.758 16.161 -2.180 80 HG LEU 31 HG LEU 31 25.167 18.347 -3.152 81 HD11 LEU 31 HD11 LEU 31 24.600 19.163 -0.265 82 HD12 LEU 31 HD12 LEU 31 24.747 20.284 -1.636 83 HD13 LEU 31 HD13 LEU 31 23.417 19.122 -1.592 84 HD21 LEU 31 HD21 LEU 31 27.453 17.906 -2.350 85 HD22 LEU 31 HD22 LEU 31 27.023 19.611 -2.142 86 HD23 LEU 31 HD23 LEU 31 27.016 18.518 -0.739 87 HA PRO 32 HA PRO 32 23.080 17.598 -5.929 88 HB2 PRO 32 HB2 PRO 32 23.657 15.605 -7.730 89 HB3 PRO 32 HB3 PRO 32 24.892 16.646 -6.965 90 HG2 PRO 32 HG2 PRO 32 24.016 13.875 -6.081 91 HG3 PRO 32 HG3 PRO 32 25.686 14.465 -6.381 92 HD2 PRO 32 HD2 PRO 32 24.699 14.439 -3.883 93 HD3 PRO 32 HD3 PRO 32 25.644 15.844 -4.453 94 H LEU 33 H LEU 33 21.826 14.498 -4.781 95 HA LEU 33 HA LEU 33 19.560 14.492 -6.675 96 HB2 LEU 33 HB2 LEU 33 19.983 12.742 -4.234 97 HB3 LEU 33 HB3 LEU 33 18.906 12.463 -5.594 98 HG LEU 33 HG LEU 33 21.945 12.320 -5.596 99 HD11 LEU 33 HD11 LEU 33 20.740 10.390 -4.607 100 HD12 LEU 33 HD12 LEU 33 19.820 10.205 -6.113 101 HD13 LEU 33 HD13 LEU 33 21.581 9.959 -6.106 102 HD21 LEU 33 HD21 LEU 33 21.817 11.571 -7.929 103 HD22 LEU 33 HD22 LEU 33 20.072 11.881 -7.951 104 HD23 LEU 33 HD23 LEU 33 21.222 13.227 -7.783 105 H LEU 34 H LEU 34 20.132 15.207 -3.230 106 HA LEU 34 HA LEU 34 17.471 16.001 -2.517 107 HB2 LEU 34 HB2 LEU 34 19.237 15.506 -0.939 108 HB3 LEU 34 HB3 LEU 34 20.236 16.804 -1.508 109 HG LEU 34 HG LEU 34 17.522 17.536 -0.287 110 HD11 LEU 34 HD11 LEU 34 18.526 15.933 1.298 111 HD12 LEU 34 HD12 LEU 34 20.062 16.828 1.250 112 HD13 LEU 34 HD13 LEU 34 18.601 17.583 1.924 113 HD21 LEU 34 HD21 LEU 34 18.904 19.358 -1.238 114 HD22 LEU 34 HD22 LEU 34 18.915 19.458 0.519 115 HD23 LEU 34 HD23 LEU 34 20.320 18.796 -0.324 116 H LYS 35 H LYS 35 20.034 17.693 -4.250 117 HA LYS 35 HA LYS 35 19.098 20.352 -4.117 118 HB2 LYS 35 HB2 LYS 35 21.244 19.074 -5.242 119 HB3 LYS 35 HB3 LYS 35 20.301 19.334 -6.694 120 HG2 LYS 35 HG2 LYS 35 21.842 21.122 -6.466 121 HG3 LYS 35 HG3 LYS 35 20.245 21.804 -6.124 122 HD2 LYS 35 HD2 LYS 35 20.693 21.883 -3.751 123 HD3 LYS 35 HD3 LYS 35 22.105 20.814 -3.909 124 HE2 LYS 35 HE2 LYS 35 23.308 22.511 -5.193 125 HE3 LYS 35 HE3 LYS 35 21.899 23.583 -5.176 126 HZ1 LYS 35 HZ1 LYS 35 23.502 24.214 -3.461 127 HZ2 LYS 35 HZ2 LYS 35 22.119 23.736 -2.746 128 HZ3 LYS 35 HZ3 LYS 35 23.424 22.747 -2.755 129 H ILE 36 H ILE 36 18.117 17.772 -6.283 130 HA ILE 36 HA ILE 36 16.485 19.386 -8.056 131 HB ILE 36 HB ILE 36 16.558 16.371 -7.597 132 HG12 ILE 36 HG12 ILE 36 17.977 18.070 -9.689 133 HG13 ILE 36 HG13 ILE 36 18.770 17.483 -8.242 134 HG21 ILE 36 HG21 ILE 36 15.514 17.957 -9.996 135 HG22 ILE 36 HG22 ILE 36 15.577 16.190 -9.860 136 HG23 ILE 36 HG23 ILE 36 14.498 17.102 -8.817 137 HD11 ILE 36 HD11 ILE 36 18.322 15.150 -8.882 138 HD12 ILE 36 HD12 ILE 36 17.721 15.749 -10.470 139 HD13 ILE 36 HD13 ILE 36 19.404 16.032 -9.966 140 H LEU 37 H LEU 37 15.762 17.254 -5.270 141 HA LEU 37 HA LEU 37 12.932 17.923 -5.285 142 HB2 LEU 37 HB2 LEU 37 14.788 16.379 -3.465 143 HB3 LEU 37 HB3 LEU 37 13.274 16.922 -2.840 144 HG LEU 37 HG LEU 37 13.213 14.618 -3.668 145 HD11 LEU 37 HD11 LEU 37 11.079 14.724 -4.762 146 HD12 LEU 37 HD12 LEU 37 11.168 15.954 -3.492 147 HD13 LEU 37 HD13 LEU 37 11.333 16.422 -5.207 148 HD21 LEU 37 HD21 LEU 37 14.641 14.781 -5.662 149 HD22 LEU 37 HD22 LEU 37 13.057 14.034 -5.959 150 HD23 LEU 37 HD23 LEU 37 13.354 15.708 -6.481 151 H HIS 38 H HIS 38 15.766 19.458 -3.721 152 HA HIS 38 HA HIS 38 14.196 21.403 -2.243 153 HB2 HIS 38 HB2 HIS 38 17.062 21.177 -3.139 154 HB3 HIS 38 HB3 HIS 38 16.449 22.761 -2.701 155 HD2 HIS 38 HD2 HIS 38 15.234 19.662 -0.750 156 HE1 HIS 38 HE1 HIS 38 17.647 22.003 1.885 157 HE2 HIS 38 HE2 HIS 38 16.110 19.994 1.736 158 H ALA 39 H ALA 39 15.435 21.438 -5.638 159 HA ALA 39 HA ALA 39 14.272 23.973 -6.275 160 HB1 ALA 39 HB1 ALA 39 15.941 22.903 -7.701 161 HB2 ALA 39 HB2 ALA 39 14.836 21.555 -8.031 162 HB3 ALA 39 HB3 ALA 39 14.451 23.174 -8.630 163 H ALA 40 H ALA 40 12.780 20.827 -5.817 164 HA ALA 40 HA ALA 40 10.175 21.664 -6.854 165 HB1 ALA 40 HB1 ALA 40 10.725 19.218 -5.133 166 HB2 ALA 40 HB2 ALA 40 9.463 19.483 -6.332 167 HB3 ALA 40 HB3 ALA 40 11.144 19.242 -6.849 168 H GLY 41 H GLY 41 11.759 22.686 -4.130 169 HA2 GLY 41 HA2 GLY 41 11.047 23.738 -2.224 170 HA3 GLY 41 HA3 GLY 41 9.367 23.457 -2.689 171 H ALA 42 H ALA 42 11.432 20.623 -2.462 172 HA ALA 42 HA ALA 42 9.831 19.588 -0.251 173 HB1 ALA 42 HB1 ALA 42 10.435 18.447 -2.519 174 HB2 ALA 42 HB2 ALA 42 12.034 18.222 -1.786 175 HB3 ALA 42 HB3 ALA 42 10.609 17.476 -1.041 176 H GLN 43 H GLN 43 11.489 17.772 0.868 177 HA GLN 43 HA GLN 43 14.057 19.003 1.784 178 HB2 GLN 43 HB2 GLN 43 12.150 17.492 3.640 179 HB3 GLN 43 HB3 GLN 43 13.712 18.188 4.044 180 HG2 GLN 43 HG2 GLN 43 12.264 19.719 4.961 181 HG3 GLN 43 HG3 GLN 43 12.666 20.486 3.427 182 HE21 GLN 43 HE22 GLN 43 10.179 18.247 4.892 183 HE22 GLN 43 HE21 GLN 43 8.846 18.939 3.979 184 H GLY 44 H GLY 44 14.535 17.664 -0.190 185 HA2 GLY 44 HA2 GLY 44 15.911 15.956 -0.905 186 HA3 GLY 44 HA3 GLY 44 15.887 15.288 0.733 187 H GLU 45 H GLU 45 15.431 13.198 0.323 188 HA GLU 45 HA GLU 45 12.854 12.416 -0.930 189 HB2 GLU 45 HB2 GLU 45 15.521 11.082 -1.522 190 HB3 GLU 45 HB3 GLU 45 13.943 10.466 -2.001 191 HG2 GLU 45 HG2 GLU 45 13.529 12.458 -3.359 192 HG3 GLU 45 HG3 GLU 45 15.148 13.071 -2.972 193 H MET 46 H MET 46 13.889 12.701 1.890 194 HA MET 46 HA MET 46 14.161 9.967 2.875 195 HB2 MET 46 HB2 MET 46 15.603 11.589 3.644 196 HB3 MET 46 HB3 MET 46 14.276 12.640 4.183 197 HG2 MET 46 HG2 MET 46 15.488 11.477 6.026 198 HG3 MET 46 HG3 MET 46 13.761 11.194 6.025 199 HE1 MET 46 HE1 MET 46 13.998 9.247 7.756 200 HE2 MET 46 HE2 MET 46 15.149 7.904 7.583 201 HE3 MET 46 HE3 MET 46 15.749 9.561 7.809 202 H PHE 47 H PHE 47 11.986 9.788 1.682 203 HA PHE 47 HA PHE 47 9.807 9.287 3.542 204 HB2 PHE 47 HB2 PHE 47 8.248 10.981 2.457 205 HB3 PHE 47 HB3 PHE 47 9.396 11.520 3.661 206 HD1 PHE 47 HD2 PHE 47 9.256 11.051 -0.078 207 HD2 PHE 47 HD1 PHE 47 10.571 13.526 3.198 208 HE1 PHE 47 HE2 PHE 47 9.987 12.795 -1.671 209 HE2 PHE 47 HE1 PHE 47 11.371 15.228 1.576 210 HZ PHE 47 HZ PHE 47 10.981 14.904 -0.851 211 H THR 48 H THR 48 7.728 8.757 2.385 212 HA THR 48 HA THR 48 8.222 6.526 0.759 213 HB THR 48 HB THR 48 5.428 7.621 0.883 214 HG1 THR 48 HG1 THR 48 5.288 7.199 3.109 215 HG21 THR 48 HG21 THR 48 5.783 5.246 0.270 216 HG22 THR 48 HG22 THR 48 6.680 4.982 1.785 217 HG23 THR 48 HG23 THR 48 4.949 5.366 1.816 218 H VAL 49 H VAL 49 7.069 5.868 -1.165 219 HA VAL 49 HA VAL 49 7.764 7.168 -3.501 220 HB VAL 49 HB VAL 49 5.326 5.363 -3.148 221 HG11 VAL 49 HG11 VAL 49 5.378 6.334 -5.393 222 HG12 VAL 49 HG12 VAL 49 7.084 5.887 -5.581 223 HG13 VAL 49 HG13 VAL 49 5.833 4.633 -5.467 224 HG21 VAL 49 HG21 VAL 49 7.227 4.216 -2.151 225 HG22 VAL 49 HG22 VAL 49 6.843 3.488 -3.703 226 HG23 VAL 49 HG23 VAL 49 8.238 4.580 -3.565 227 H LYS 50 H LYS 50 4.583 7.343 -1.876 228 HA LYS 50 HA LYS 50 3.402 9.093 -3.789 229 HB2 LYS 50 HB2 LYS 50 1.631 9.456 -2.106 230 HB3 LYS 50 HB3 LYS 50 2.032 7.747 -2.285 231 HG2 LYS 50 HG2 LYS 50 3.391 7.826 -0.218 232 HG3 LYS 50 HG3 LYS 50 3.048 9.556 -0.042 233 HD2 LYS 50 HD2 LYS 50 0.659 9.087 0.241 234 HD3 LYS 50 HD3 LYS 50 0.946 7.349 -0.012 235 HE2 LYS 50 HE2 LYS 50 2.419 7.275 1.966 236 HE3 LYS 50 HE3 LYS 50 2.239 9.014 2.201 237 HZ1 LYS 50 HZ1 LYS 50 -0.148 8.647 2.613 238 HZ2 LYS 50 HZ2 LYS 50 0.016 7.035 2.392 239 HZ3 LYS 50 HZ3 LYS 50 0.737 7.765 3.659 240 H GLU 51 H GLU 51 5.516 9.860 -1.126 241 HA GLU 51 HA GLU 51 4.914 12.740 -1.260 242 HB2 GLU 51 HB2 GLU 51 7.051 11.180 0.244 243 HB3 GLU 51 HB3 GLU 51 6.803 12.922 0.358 244 HG2 GLU 51 HG2 GLU 51 4.817 10.755 1.164 245 HG3 GLU 51 HG3 GLU 51 5.821 11.697 2.249 246 H VAL 52 H VAL 52 7.726 10.615 -2.260 247 HA VAL 52 HA VAL 52 9.182 12.742 -3.602 248 HB VAL 52 HB VAL 52 10.082 11.061 -5.097 249 HG11 VAL 52 HG11 VAL 52 11.381 9.823 -3.435 250 HG12 VAL 52 HG12 VAL 52 11.189 11.496 -2.935 251 HG13 VAL 52 HG13 VAL 52 10.191 10.205 -2.181 252 HG21 VAL 52 HG21 VAL 52 8.340 9.356 -5.280 253 HG22 VAL 52 HG22 VAL 52 9.812 8.655 -4.615 254 HG23 VAL 52 HG23 VAL 52 8.493 9.064 -3.518 255 H MET 53 H MET 53 6.662 10.632 -4.920 256 HA MET 53 HA MET 53 6.753 11.963 -7.475 257 HB2 MET 53 HB2 MET 53 5.128 10.578 -8.242 258 HB3 MET 53 HB3 MET 53 5.950 9.605 -7.028 259 HG2 MET 53 HG2 MET 53 4.105 10.253 -5.418 260 HG3 MET 53 HG3 MET 53 3.261 11.008 -6.769 261 HE1 MET 53 HE1 MET 53 2.577 9.694 -8.989 262 HE2 MET 53 HE2 MET 53 4.081 8.759 -9.162 263 HE3 MET 53 HE3 MET 53 2.522 7.920 -9.120 264 H HIS 54 H HIS 54 4.995 12.810 -4.573 265 HA HIS 54 HA HIS 54 3.176 14.753 -5.733 266 HB2 HIS 54 HB2 HIS 54 2.548 14.244 -3.569 267 HB3 HIS 54 HB3 HIS 54 4.179 13.980 -3.032 268 HD2 HIS 54 HD2 HIS 54 5.232 15.680 -1.505 269 HE1 HIS 54 HE1 HIS 54 3.017 19.146 -2.589 270 HE2 HIS 54 HE2 HIS 54 4.825 18.234 -1.047 271 H TYR 55 H TYR 55 6.296 15.270 -3.976 272 HA TYR 55 HA TYR 55 6.836 17.829 -4.834 273 HB2 TYR 55 HB2 TYR 55 8.780 15.570 -4.349 274 HB3 TYR 55 HB3 TYR 55 9.203 17.282 -4.436 275 HD1 TYR 55 HD2 TYR 55 7.745 18.857 -2.831 276 HD2 TYR 55 HD1 TYR 55 8.589 14.702 -2.183 277 HE1 TYR 55 HE2 TYR 55 7.271 19.159 -0.401 278 HE2 TYR 55 HE1 TYR 55 8.094 14.981 0.247 279 HH TYR 55 HH TYR 55 7.483 16.435 1.922 280 H LEU 56 H LEU 56 7.728 14.817 -6.689 281 HA LEU 56 HA LEU 56 8.909 16.272 -8.861 282 HB2 LEU 56 HB2 LEU 56 8.005 13.475 -8.395 283 HB3 LEU 56 HB3 LEU 56 7.962 14.000 -10.069 284 HG LEU 56 HG LEU 56 10.318 14.653 -9.997 285 HD11 LEU 56 HD11 LEU 56 10.604 15.196 -7.599 286 HD12 LEU 56 HD12 LEU 56 10.358 13.486 -7.181 287 HD13 LEU 56 HD13 LEU 56 11.774 13.984 -8.130 288 HD21 LEU 56 HD21 LEU 56 11.262 12.374 -9.852 289 HD22 LEU 56 HD22 LEU 56 9.810 11.822 -8.989 290 HD23 LEU 56 HD23 LEU 56 9.696 12.367 -10.680 291 H GLY 57 H GLY 57 5.458 15.356 -8.361 292 HA2 GLY 57 HA2 GLY 57 4.428 16.251 -10.843 293 HA3 GLY 57 HA3 GLY 57 3.579 16.277 -9.293 294 H GLN 58 H GLN 58 4.886 18.151 -7.795 295 HA GLN 58 HA GLN 58 4.187 20.626 -9.121 296 HB2 GLN 58 HB2 GLN 58 4.672 21.786 -7.117 297 HB3 GLN 58 HB3 GLN 58 3.724 20.336 -6.794 298 HG2 GLN 58 HG2 GLN 58 5.832 19.195 -6.077 299 HG3 GLN 58 HG3 GLN 58 6.703 20.720 -6.263 300 HE21 GLN 58 HE22 GLN 58 7.254 20.636 -3.937 301 HE22 GLN 58 HE21 GLN 58 6.012 20.862 -2.720 302 H TYR 59 H TYR 59 7.358 19.027 -8.618 303 HA TYR 59 HA TYR 59 8.997 21.149 -9.585 304 HB2 TYR 59 HB2 TYR 59 9.856 18.986 -8.692 305 HB3 TYR 59 HB3 TYR 59 9.312 18.173 -10.134 306 HD1 TYR 59 HD1 TYR 59 10.318 18.838 -12.423 307 HD2 TYR 59 HD2 TYR 59 12.019 20.050 -8.645 308 HE1 TYR 59 HE1 TYR 59 12.531 19.145 -13.510 309 HE2 TYR 59 HE2 TYR 59 14.228 20.304 -9.737 310 HH TYR 59 HH TYR 59 14.800 19.510 -13.165 311 H ILE 60 H ILE 60 7.368 18.513 -11.479 312 HA ILE 60 HA ILE 60 8.049 19.489 -14.065 313 HB ILE 60 HB ILE 60 5.563 17.973 -13.182 314 HG12 ILE 60 HG12 ILE 60 7.925 16.684 -14.583 315 HG13 ILE 60 HG13 ILE 60 7.991 16.918 -12.849 316 HG21 ILE 60 HG21 ILE 60 5.534 17.210 -15.621 317 HG22 ILE 60 HG22 ILE 60 5.123 18.900 -15.370 318 HG23 ILE 60 HG23 ILE 60 6.745 18.458 -15.954 319 HD11 ILE 60 HD11 ILE 60 5.844 15.344 -14.334 320 HD12 ILE 60 HD12 ILE 60 7.097 14.711 -13.247 321 HD13 ILE 60 HD13 ILE 60 5.792 15.722 -12.604 322 H MET 61 H MET 61 5.185 20.239 -12.013 323 HA MET 61 HA MET 61 3.970 21.980 -13.893 324 HB2 MET 61 HB2 MET 61 2.888 20.879 -11.956 325 HB3 MET 61 HB3 MET 61 3.737 21.979 -10.869 326 HG2 MET 61 HG2 MET 61 1.402 22.673 -11.285 327 HG3 MET 61 HG3 MET 61 2.574 23.894 -11.750 328 HE1 MET 61 HE1 MET 61 1.414 20.636 -13.803 329 HE2 MET 61 HE2 MET 61 -0.075 21.250 -13.036 330 HE3 MET 61 HE3 MET 61 0.131 21.354 -14.796 331 H VAL 62 H VAL 62 6.516 22.712 -11.492 332 HA VAL 62 HA VAL 62 6.470 25.602 -11.978 333 HB VAL 62 HB VAL 62 8.300 23.760 -10.493 334 HG11 VAL 62 HG11 VAL 62 9.439 25.762 -9.573 335 HG12 VAL 62 HG12 VAL 62 9.769 25.550 -11.290 336 HG13 VAL 62 HG13 VAL 62 8.593 26.779 -10.763 337 HG21 VAL 62 HG21 VAL 62 7.431 24.940 -8.529 338 HG22 VAL 62 HG22 VAL 62 6.493 26.036 -9.569 339 HG23 VAL 62 HG23 VAL 62 6.078 24.316 -9.480 340 H LYS 63 H LYS 63 8.678 22.939 -12.893 341 HA LYS 63 HA LYS 63 10.324 24.522 -14.665 342 HB2 LYS 63 HB2 LYS 63 10.285 21.807 -13.639 343 HB3 LYS 63 HB3 LYS 63 10.312 21.699 -15.375 344 HG2 LYS 63 HG2 LYS 63 12.562 21.694 -14.688 345 HG3 LYS 63 HG3 LYS 63 12.293 23.319 -15.340 346 HD2 LYS 63 HD2 LYS 63 11.869 24.094 -12.943 347 HD3 LYS 63 HD3 LYS 63 12.340 22.494 -12.386 348 HE2 LYS 63 HE2 LYS 63 14.091 24.403 -14.023 349 HE3 LYS 63 HE3 LYS 63 14.164 24.222 -12.270 350 HZ1 LYS 63 HZ1 LYS 63 14.826 21.873 -12.613 351 HZ2 LYS 63 HZ2 LYS 63 14.832 22.074 -14.247 352 HZ3 LYS 63 HZ3 LYS 63 15.882 22.903 -13.312 353 H GLN 64 H GLN 64 7.233 23.127 -15.112 354 HA GLN 64 HA GLN 64 5.793 22.971 -16.779 355 HB2 GLN 64 HB2 GLN 64 5.285 25.036 -17.919 356 HB3 GLN 64 HB3 GLN 64 5.659 25.253 -16.217 357 HG2 GLN 64 HG2 GLN 64 8.046 25.923 -17.001 358 HG3 GLN 64 HG3 GLN 64 7.346 26.046 -18.612 359 HE21 GLN 64 HE22 GLN 64 7.191 27.228 -15.221 360 HE22 GLN 64 HE21 GLN 64 6.431 28.767 -15.620 361 H LEU 65 H LEU 65 7.719 21.315 -17.325 362 HA LEU 65 HA LEU 65 8.669 21.593 -20.077 363 HB2 LEU 65 HB2 LEU 65 8.892 19.336 -18.038 364 HB3 LEU 65 HB3 LEU 65 9.661 19.339 -19.621 365 HG LEU 65 HG LEU 65 10.298 21.535 -17.671 366 HD11 LEU 65 HD11 LEU 65 12.244 20.217 -16.920 367 HD12 LEU 65 HD12 LEU 65 10.709 19.470 -16.443 368 HD13 LEU 65 HD13 LEU 65 11.616 18.812 -17.809 369 HD21 LEU 65 HD21 LEU 65 11.874 20.237 -19.930 370 HD22 LEU 65 HD22 LEU 65 11.028 21.799 -20.018 371 HD23 LEU 65 HD23 LEU 65 12.404 21.603 -18.924 372 H TYR 66 H TYR 66 5.636 20.890 -19.106 373 HA TYR 66 HA TYR 66 5.139 18.453 -20.646 374 HB2 TYR 66 HB2 TYR 66 2.759 18.901 -19.984 375 HB3 TYR 66 HB3 TYR 66 3.885 18.663 -18.665 376 HD1 TYR 66 HD1 TYR 66 2.181 21.358 -20.653 377 HD2 TYR 66 HD2 TYR 66 4.129 20.264 -16.977 378 HE1 TYR 66 HE1 TYR 66 1.544 23.562 -19.674 379 HE2 TYR 66 HE2 TYR 66 3.473 22.468 -15.978 380 HH TYR 66 HH TYR 66 2.391 24.479 -16.312 381 H ASP 67 H ASP 67 3.361 18.357 -22.254 382 HA ASP 67 HA ASP 67 3.931 20.233 -24.402 383 HB2 ASP 67 HB2 ASP 67 3.378 17.714 -24.592 384 HB3 ASP 67 HB3 ASP 67 1.695 18.208 -24.441 385 H GLN 68 H GLN 68 2.760 21.889 -25.160 386 HA GLN 68 HA GLN 68 0.826 23.355 -23.755 387 HB2 GLN 68 HB2 GLN 68 0.791 23.321 -26.786 388 HB3 GLN 68 HB3 GLN 68 0.574 24.651 -25.676 389 HG2 GLN 68 HG2 GLN 68 2.634 25.248 -26.230 390 HG3 GLN 68 HG3 GLN 68 3.222 23.984 -25.169 391 HE21 GLN 68 HE22 GLN 68 2.579 21.587 -27.038 392 HE22 GLN 68 HE21 GLN 68 3.678 21.883 -28.354 393 H GLN 69 H GLN 69 0.345 20.748 -26.162 394 HA GLN 69 HA GLN 69 -2.567 21.171 -26.258 395 HB2 GLN 69 HB2 GLN 69 -0.880 19.092 -27.682 396 HB3 GLN 69 HB3 GLN 69 -2.515 19.601 -28.079 397 HG2 GLN 69 HG2 GLN 69 0.048 21.210 -28.401 398 HG3 GLN 69 HG3 GLN 69 -0.954 20.549 -29.677 399 HE21 GLN 69 HE22 GLN 69 -0.148 23.337 -29.419 400 HE22 GLN 69 HE21 GLN 69 -1.624 24.262 -29.196 401 H GLU 70 H GLU 70 -0.370 19.119 -24.555 402 HA GLU 70 HA GLU 70 -2.603 17.765 -23.210 403 HB2 GLU 70 HB2 GLU 70 -1.438 15.507 -23.550 404 HB3 GLU 70 HB3 GLU 70 -2.522 16.136 -24.781 405 HG2 GLU 70 HG2 GLU 70 -0.580 16.898 -26.145 406 HG3 GLU 70 HG3 GLU 70 0.517 16.228 -24.935 407 H GLN 71 H GLN 71 -2.062 18.719 -21.345 408 HA GLN 71 HA GLN 71 0.518 18.850 -20.153 409 HB2 GLN 71 HB2 GLN 71 -2.299 18.838 -18.993 410 HB3 GLN 71 HB3 GLN 71 -0.863 18.994 -17.998 411 HG2 GLN 71 HG2 GLN 71 -1.598 21.201 -18.341 412 HG3 GLN 71 HG3 GLN 71 -0.164 21.010 -19.328 413 HE21 GLN 71 HE22 GLN 71 -0.430 21.063 -21.742 414 HE22 GLN 71 HE21 GLN 71 -1.917 21.736 -22.377 415 H HIS 72 H HIS 72 -1.473 16.089 -20.638 416 HA HIS 72 HA HIS 72 -0.555 14.504 -18.458 417 HB2 HIS 72 HB2 HIS 72 -2.007 12.996 -19.245 418 HB3 HIS 72 HB3 HIS 72 -2.528 14.231 -20.354 419 HD2 HIS 72 HD2 HIS 72 -1.697 10.726 -20.428 420 HE1 HIS 72 HE1 HIS 72 -0.100 12.047 -24.156 421 HE2 HIS 72 HE2 HIS 72 -0.772 10.005 -22.788 422 H MET 73 H MET 73 1.000 15.503 -21.372 423 HA MET 73 HA MET 73 3.072 13.377 -21.279 424 HB2 MET 73 HB2 MET 73 1.892 13.722 -23.409 425 HB3 MET 73 HB3 MET 73 2.356 15.428 -23.407 426 HG2 MET 73 HG2 MET 73 3.789 14.156 -24.897 427 HG3 MET 73 HG3 MET 73 4.727 14.807 -23.559 428 HE1 MET 73 HE1 MET 73 6.050 12.759 -25.359 429 HE2 MET 73 HE2 MET 73 6.781 13.336 -23.842 430 HE3 MET 73 HE3 MET 73 6.733 11.593 -24.202 431 H VAL 74 H VAL 74 5.193 13.852 -20.821 432 HA VAL 74 HA VAL 74 5.920 16.656 -20.042 433 HB VAL 74 HB VAL 74 6.579 14.092 -18.546 434 HG11 VAL 74 HG11 VAL 74 7.128 17.036 -17.967 435 HG12 VAL 74 HG12 VAL 74 7.301 15.728 -16.775 436 HG13 VAL 74 HG13 VAL 74 8.315 15.729 -18.206 437 HG21 VAL 74 HG21 VAL 74 4.199 14.610 -18.251 438 HG22 VAL 74 HG22 VAL 74 5.092 14.986 -16.783 439 HG23 VAL 74 HG23 VAL 74 4.590 16.303 -17.872 440 H TYR 75 H TYR 75 7.821 17.355 -20.886 441 HA TYR 75 HA TYR 75 9.800 15.442 -21.994 442 HB2 TYR 75 HB2 TYR 75 9.557 18.444 -22.344 443 HB3 TYR 75 HB3 TYR 75 10.754 17.398 -23.100 444 HD1 TYR 75 HD2 TYR 75 9.832 15.287 -24.345 445 HD2 TYR 75 HD1 TYR 75 7.503 18.827 -23.545 446 HE1 TYR 75 HE2 TYR 75 8.142 14.531 -25.967 447 HE2 TYR 75 HE1 TYR 75 5.835 18.111 -25.246 448 HH TYR 75 HH TYR 75 5.225 16.500 -26.771 449 H CYS 76 H CYS 76 12.134 16.063 -21.562 450 HA CYS 76 HA CYS 76 12.785 17.609 -19.137 451 HB2 CYS 76 HB2 CYS 76 12.516 14.664 -19.197 452 HB3 CYS 76 HB3 CYS 76 14.075 15.213 -18.570 453 HG CYS 76 HG CYS 76 11.100 16.349 -17.710 454 H GLY 77 H GLY 77 13.490 17.771 -22.033 455 HA2 GLY 77 HA2 GLY 77 15.994 16.608 -22.532 456 HA3 GLY 77 HA3 GLY 77 15.350 18.013 -23.390 457 H GLY 78 H GLY 78 17.854 16.907 -21.533 458 HA2 GLY 78 HA2 GLY 78 19.705 17.869 -20.609 459 HA3 GLY 78 HA3 GLY 78 19.149 19.448 -21.161 460 H ASP 79 H ASP 79 16.869 17.784 -18.967 461 HA ASP 79 HA ASP 79 17.584 19.781 -16.914 462 HB2 ASP 79 HB2 ASP 79 15.243 19.594 -17.843 463 HB3 ASP 79 HB3 ASP 79 15.125 18.021 -17.047 464 H LEU 80 H LEU 80 17.958 19.239 -14.783 465 HA LEU 80 HA LEU 80 19.396 16.857 -14.245 466 HB2 LEU 80 HB2 LEU 80 18.857 19.337 -12.922 467 HB3 LEU 80 HB3 LEU 80 18.343 18.061 -11.836 468 HG LEU 80 HG LEU 80 20.603 16.982 -12.068 469 HD11 LEU 80 HD11 LEU 80 21.294 19.517 -13.629 470 HD12 LEU 80 HD12 LEU 80 22.461 18.312 -13.044 471 HD13 LEU 80 HD13 LEU 80 21.292 17.868 -14.285 472 HD21 LEU 80 HD21 LEU 80 21.854 18.673 -10.765 473 HD22 LEU 80 HD22 LEU 80 20.667 19.915 -11.225 474 HD23 LEU 80 HD23 LEU 80 20.188 18.545 -10.202 475 H LEU 81 H LEU 81 15.952 17.465 -14.108 476 HA LEU 81 HA LEU 81 15.262 15.087 -12.606 477 HB2 LEU 81 HB2 LEU 81 13.738 17.012 -12.922 478 HB3 LEU 81 HB3 LEU 81 13.682 16.683 -14.659 479 HG LEU 81 HG LEU 81 12.618 14.463 -14.178 480 HD11 LEU 81 HD11 LEU 81 11.735 13.998 -11.920 481 HD12 LEU 81 HD12 LEU 81 13.496 14.062 -11.889 482 HD13 LEU 81 HD13 LEU 81 12.561 15.442 -11.283 483 HD21 LEU 81 HD21 LEU 81 10.436 15.259 -13.571 484 HD22 LEU 81 HD22 LEU 81 11.113 16.686 -12.771 485 HD23 LEU 81 HD23 LEU 81 11.215 16.525 -14.536 486 H GLY 82 H GLY 82 15.787 15.724 -16.110 487 HA2 GLY 82 HA2 GLY 82 15.069 13.047 -17.021 488 HA3 GLY 82 HA3 GLY 82 16.025 14.244 -17.902 489 H GLU 83 H GLU 83 18.177 14.605 -15.941 490 HA GLU 83 HA GLU 83 19.828 12.313 -16.374 491 HB2 GLU 83 HB2 GLU 83 20.658 14.568 -16.148 492 HB3 GLU 83 HB3 GLU 83 19.823 14.777 -14.619 493 HG2 GLU 83 HG2 GLU 83 21.989 14.591 -14.042 494 HG3 GLU 83 HG3 GLU 83 21.277 13.042 -13.615 495 H LEU 84 H LEU 84 17.851 13.376 -13.539 496 HA LEU 84 HA LEU 84 18.606 11.275 -11.801 497 HB2 LEU 84 HB2 LEU 84 17.569 13.366 -11.063 498 HB3 LEU 84 HB3 LEU 84 16.093 12.986 -11.941 499 HG LEU 84 HG LEU 84 15.688 11.047 -10.427 500 HD11 LEU 84 HD11 LEU 84 18.012 10.606 -9.676 501 HD12 LEU 84 HD12 LEU 84 18.042 12.197 -8.873 502 HD13 LEU 84 HD13 LEU 84 16.946 10.920 -8.302 503 HD21 LEU 84 HD21 LEU 84 16.072 13.732 -9.035 504 HD22 LEU 84 HD22 LEU 84 14.653 13.237 -9.985 505 HD23 LEU 84 HD23 LEU 84 15.036 12.399 -8.478 506 H LEU 85 H LEU 85 15.790 11.514 -14.004 507 HA LEU 85 HA LEU 85 14.775 8.852 -13.381 508 HB2 LEU 85 HB2 LEU 85 14.037 11.168 -15.161 509 HB3 LEU 85 HB3 LEU 85 13.477 9.605 -15.662 510 HG LEU 85 HG LEU 85 12.306 9.236 -13.555 511 HD11 LEU 85 HD11 LEU 85 12.055 11.080 -11.896 512 HD12 LEU 85 HD12 LEU 85 13.688 10.411 -11.935 513 HD13 LEU 85 HD13 LEU 85 13.354 11.960 -12.735 514 HD21 LEU 85 HD21 LEU 85 11.179 10.473 -15.397 515 HD22 LEU 85 HD22 LEU 85 10.580 10.956 -13.803 516 HD23 LEU 85 HD23 LEU 85 11.718 12.003 -14.679 517 H GLY 86 H GLY 86 17.100 10.043 -15.723 518 HA2 GLY 86 HA2 GLY 86 18.430 8.861 -17.207 519 HA3 GLY 86 HA3 GLY 86 17.581 7.359 -16.822 520 H ARG 87 H ARG 87 15.380 9.847 -17.537 521 HA ARG 87 HA ARG 87 15.258 9.354 -20.445 522 HB2 ARG 87 HB2 ARG 87 13.083 8.687 -18.415 523 HB3 ARG 87 HB3 ARG 87 12.641 9.213 -20.039 524 HG2 ARG 87 HG2 ARG 87 13.975 7.386 -21.028 525 HG3 ARG 87 HG3 ARG 87 14.420 6.821 -19.418 526 HD2 ARG 87 HD2 ARG 87 12.597 5.486 -20.430 527 HD3 ARG 87 HD3 ARG 87 12.142 6.233 -18.895 528 HE ARG 87 HE ARG 87 11.319 7.988 -20.976 529 HH11 ARG 87 HH11 ARG 87 10.341 4.731 -19.940 530 HH12 ARG 87 HH12 ARG 87 8.666 5.114 -20.367 531 HH21 ARG 87 HH21 ARG 87 9.198 8.231 -21.447 532 HH22 ARG 87 HH22 ARG 87 8.093 6.850 -21.192 533 H GLN 88 H GLN 88 14.659 10.948 -21.670 534 HA GLN 88 HA GLN 88 14.118 13.551 -20.358 535 HB2 GLN 88 HB2 GLN 88 15.162 12.948 -23.132 536 HB3 GLN 88 HB3 GLN 88 14.893 14.563 -22.440 537 HG2 GLN 88 HG2 GLN 88 16.459 14.068 -20.596 538 HG3 GLN 88 HG3 GLN 88 16.765 12.459 -21.261 539 HE21 GLN 88 HE22 GLN 88 17.727 12.386 -23.563 540 HE22 GLN 88 HE21 GLN 88 18.832 13.693 -23.965 541 H SER 89 H SER 89 12.156 11.240 -21.405 542 HA SER 89 HA SER 89 9.992 13.141 -21.450 543 HB2 SER 89 HB2 SER 89 8.896 12.454 -23.498 544 HB3 SER 89 HB3 SER 89 10.470 13.172 -23.833 545 HG SER 89 HG SER 89 10.177 11.259 -25.065 546 H PHE 90 H PHE 90 8.083 12.338 -20.730 547 HA PHE 90 HA PHE 90 7.436 9.520 -20.520 548 HB2 PHE 90 HB2 PHE 90 7.428 9.383 -18.085 549 HB3 PHE 90 HB3 PHE 90 9.043 9.647 -18.678 550 HD1 PHE 90 HD2 PHE 90 10.231 11.781 -18.251 551 HD2 PHE 90 HD1 PHE 90 6.273 11.041 -16.700 552 HE1 PHE 90 HE2 PHE 90 10.523 13.625 -16.616 553 HE2 PHE 90 HE1 PHE 90 6.571 12.888 -15.070 554 HZ PHE 90 HZ PHE 90 8.703 14.174 -15.020 555 H SER 91 H SER 91 5.329 9.372 -18.985 556 HA SER 91 HA SER 91 3.695 11.842 -19.210 557 HB2 SER 91 HB2 SER 91 1.973 10.817 -20.496 558 HB3 SER 91 HB3 SER 91 3.486 10.487 -21.353 559 HG SER 91 HG SER 91 2.527 8.531 -21.238 560 H VAL 92 H VAL 92 1.463 11.478 -18.253 561 HA VAL 92 HA VAL 92 1.666 10.270 -15.645 562 HB VAL 92 HB VAL 92 0.244 12.226 -16.286 563 HG11 VAL 92 HG11 VAL 92 -1.998 11.881 -17.127 564 HG12 VAL 92 HG12 VAL 92 -0.828 11.244 -18.302 565 HG13 VAL 92 HG13 VAL 92 -1.745 10.132 -17.261 566 HG21 VAL 92 HG21 VAL 92 -1.264 10.044 -14.810 567 HG22 VAL 92 HG22 VAL 92 0.045 11.031 -14.126 568 HG23 VAL 92 HG23 VAL 92 -1.462 11.798 -14.660 569 H LYS 93 H LYS 93 0.825 8.847 -18.721 570 HA LYS 93 HA LYS 93 -0.220 6.405 -17.362 571 HB2 LYS 93 HB2 LYS 93 -1.061 5.636 -19.385 572 HB3 LYS 93 HB3 LYS 93 -1.540 7.324 -19.242 573 HG2 LYS 93 HG2 LYS 93 0.219 7.972 -20.861 574 HG3 LYS 93 HG3 LYS 93 0.769 6.285 -20.951 575 HD2 LYS 93 HD2 LYS 93 -1.575 5.663 -21.749 576 HD3 LYS 93 HD3 LYS 93 -1.948 7.386 -21.781 577 HE2 LYS 93 HE2 LYS 93 -1.417 6.845 -24.008 578 HE3 LYS 93 HE3 LYS 93 0.008 7.689 -23.399 579 HZ1 LYS 93 HZ1 LYS 93 0.590 5.672 -24.645 580 HZ2 LYS 93 HZ2 LYS 93 1.077 5.496 -23.100 581 HZ3 LYS 93 HZ3 LYS 93 -0.267 4.728 -23.634 582 H ASP 94 H ASP 94 2.699 7.577 -18.738 583 HA ASP 94 HA ASP 94 3.950 4.932 -18.148 584 HB2 ASP 94 HB2 ASP 94 3.941 5.326 -20.564 585 HB3 ASP 94 HB3 ASP 94 4.736 6.886 -20.331 586 HA PRO 95 HA PRO 95 5.961 8.139 -15.418 587 HB2 PRO 95 HB2 PRO 95 5.130 7.348 -12.964 588 HB3 PRO 95 HB3 PRO 95 4.077 8.319 -14.038 589 HG2 PRO 95 HG2 PRO 95 4.094 5.289 -13.722 590 HG3 PRO 95 HG3 PRO 95 2.691 6.400 -13.575 591 HD2 PRO 95 HD2 PRO 95 3.277 5.087 -15.892 592 HD3 PRO 95 HD3 PRO 95 2.630 6.756 -15.891 593 H SER 96 H SER 96 6.244 4.974 -16.235 594 HA SER 96 HA SER 96 7.524 3.413 -14.520 595 HB2 SER 96 HB2 SER 96 8.499 3.817 -17.368 596 HB3 SER 96 HB3 SER 96 8.661 2.359 -16.375 597 HG SER 96 HG SER 96 6.568 3.259 -17.871 598 HA PRO 97 HA PRO 97 11.980 5.066 -15.077 599 HB2 PRO 97 HB2 PRO 97 12.396 7.750 -15.525 600 HB3 PRO 97 HB3 PRO 97 12.391 6.486 -16.774 601 HG2 PRO 97 HG2 PRO 97 10.103 8.305 -15.933 602 HG3 PRO 97 HG3 PRO 97 10.668 7.945 -17.598 603 HD2 PRO 97 HD2 PRO 97 8.566 6.662 -16.588 604 HD3 PRO 97 HD3 PRO 97 9.784 5.736 -17.502 605 H LEU 98 H LEU 98 9.452 6.927 -13.459 606 HA LEU 98 HA LEU 98 11.106 7.936 -11.282 607 HB2 LEU 98 HB2 LEU 98 8.858 8.761 -12.095 608 HB3 LEU 98 HB3 LEU 98 8.103 7.344 -11.384 609 HG LEU 98 HG LEU 98 9.714 9.370 -9.786 610 HD11 LEU 98 HD11 LEU 98 6.704 9.262 -10.234 611 HD12 LEU 98 HD12 LEU 98 7.572 10.376 -9.148 612 HD13 LEU 98 HD13 LEU 98 7.813 10.484 -10.894 613 HD21 LEU 98 HD21 LEU 98 9.353 7.239 -8.583 614 HD22 LEU 98 HD22 LEU 98 8.359 8.509 -7.874 615 HD23 LEU 98 HD23 LEU 98 7.619 7.305 -8.950 616 H TYR 99 H TYR 99 8.969 5.077 -11.698 617 HA TYR 99 HA TYR 99 9.743 3.859 -9.220 618 HB2 TYR 99 HB2 TYR 99 8.554 2.612 -11.737 619 HB3 TYR 99 HB3 TYR 99 8.646 1.837 -10.161 620 HD1 TYR 99 HD2 TYR 99 7.365 2.784 -8.200 621 HD2 TYR 99 HD1 TYR 99 6.776 4.193 -12.239 622 HE1 TYR 99 HE2 TYR 99 5.187 3.777 -7.539 623 HE2 TYR 99 HE1 TYR 99 4.603 5.206 -11.553 624 HH TYR 99 HH TYR 99 3.329 4.960 -8.222 625 H ASP 100 H ASP 100 11.139 3.661 -12.511 626 HA ASP 100 HA ASP 100 13.081 1.653 -11.949 627 HB2 ASP 100 HB2 ASP 100 12.426 2.685 -14.185 628 HB3 ASP 100 HB3 ASP 100 13.479 4.034 -13.777 629 H MET 101 H MET 101 13.087 5.145 -11.287 630 HA MET 101 HA MET 101 15.771 5.303 -10.220 631 HB2 MET 101 HB2 MET 101 15.095 7.396 -10.804 632 HB3 MET 101 HB3 MET 101 13.396 7.037 -10.605 633 HG2 MET 101 HG2 MET 101 13.697 7.196 -8.126 634 HG3 MET 101 HG3 MET 101 15.315 7.851 -8.435 635 HE1 MET 101 HE1 MET 101 12.203 8.866 -7.095 636 HE2 MET 101 HE2 MET 101 11.363 9.969 -8.198 637 HE3 MET 101 HE3 MET 101 11.485 8.229 -8.591 638 H LEU 102 H LEU 102 12.592 4.525 -8.782 639 HA LEU 102 HA LEU 102 13.699 4.452 -6.071 640 HB2 LEU 102 HB2 LEU 102 10.951 3.792 -7.191 641 HB3 LEU 102 HB3 LEU 102 11.355 3.800 -5.477 642 HG LEU 102 HG LEU 102 11.505 6.240 -7.300 643 HD11 LEU 102 HD11 LEU 102 9.517 6.976 -6.121 644 HD12 LEU 102 HD12 LEU 102 9.205 5.389 -6.835 645 HD13 LEU 102 HD13 LEU 102 9.549 5.526 -5.095 646 HD21 LEU 102 HD21 LEU 102 11.722 7.493 -5.159 647 HD22 LEU 102 HD22 LEU 102 11.892 5.949 -4.295 648 HD23 LEU 102 HD23 LEU 102 13.115 6.472 -5.483 649 H ARG 103 H ARG 103 12.967 1.944 -8.490 650 HA ARG 103 HA ARG 103 12.881 -0.230 -6.702 651 HB2 ARG 103 HB2 ARG 103 13.197 -1.680 -8.538 652 HB3 ARG 103 HB3 ARG 103 12.126 -0.353 -8.959 653 HG2 ARG 103 HG2 ARG 103 13.377 -0.831 -10.872 654 HG3 ARG 103 HG3 ARG 103 13.931 0.707 -10.238 655 HD2 ARG 103 HD2 ARG 103 15.724 -0.723 -11.183 656 HD3 ARG 103 HD3 ARG 103 16.009 -0.226 -9.523 657 HE ARG 103 HE ARG 103 14.709 -2.844 -9.771 658 HH11 ARG 103 HH11 ARG 103 17.884 -1.349 -9.859 659 HH12 ARG 103 HH12 ARG 103 18.675 -2.795 -9.300 660 HH21 ARG 103 HH21 ARG 103 15.793 -4.651 -9.053 661 HH22 ARG 103 HH22 ARG 103 17.522 -4.615 -8.884 662 H LYS 104 H LYS 104 15.636 1.399 -7.839 663 HA LYS 104 HA LYS 104 17.655 -0.422 -6.842 664 HB2 LYS 104 HB2 LYS 104 19.227 1.173 -7.313 665 HB3 LYS 104 HB3 LYS 104 17.938 1.610 -8.434 666 HG2 LYS 104 HG2 LYS 104 17.226 3.395 -6.776 667 HG3 LYS 104 HG3 LYS 104 18.601 2.953 -5.769 668 HD2 LYS 104 HD2 LYS 104 19.221 4.889 -7.011 669 HD3 LYS 104 HD3 LYS 104 20.163 3.517 -7.609 670 HE2 LYS 104 HE2 LYS 104 18.568 3.302 -9.537 671 HE3 LYS 104 HE3 LYS 104 17.664 4.689 -8.915 672 HZ1 LYS 104 HZ1 LYS 104 19.261 5.351 -10.654 673 HZ2 LYS 104 HZ2 LYS 104 19.682 6.052 -9.239 674 HZ3 LYS 104 HZ3 LYS 104 20.514 4.761 -9.796 675 H ASN 105 H ASN 105 15.609 1.943 -5.216 676 HA ASN 105 HA ASN 105 17.038 1.466 -2.637 677 HB2 ASN 105 HB2 ASN 105 16.315 3.723 -3.123 678 HB3 ASN 105 HB3 ASN 105 14.634 3.191 -3.260 679 HD21 ASN 105 HD22 ASN 105 17.375 3.533 -0.955 680 HD22 ASN 105 HD21 ASN 105 16.348 3.452 0.468 681 H LEU 106 H LEU 106 13.518 1.250 -3.495 682 HA LEU 106 HA LEU 106 13.457 -1.435 -2.207 683 HB2 LEU 106 HB2 LEU 106 11.571 -0.953 -0.972 684 HB3 LEU 106 HB3 LEU 106 12.629 0.419 -0.700 685 HG LEU 106 HG LEU 106 10.177 0.360 -2.527 686 HD11 LEU 106 HD11 LEU 106 10.649 1.655 0.166 687 HD12 LEU 106 HD12 LEU 106 9.170 1.804 -0.811 688 HD13 LEU 106 HD13 LEU 106 9.637 0.232 -0.146 689 HD21 LEU 106 HD21 LEU 106 11.932 2.730 -1.753 690 HD22 LEU 106 HD22 LEU 106 11.728 2.060 -3.391 691 HD23 LEU 106 HD23 LEU 106 10.367 2.834 -2.588 692 H VAL 107 H VAL 107 12.203 -2.999 -3.103 693 HA VAL 107 HA VAL 107 11.000 -2.540 -5.758 694 HB VAL 107 HB VAL 107 10.985 -5.021 -3.993 695 HG11 VAL 107 HG11 VAL 107 10.177 -4.638 -6.916 696 HG12 VAL 107 HG12 VAL 107 10.322 -6.198 -6.080 697 HG13 VAL 107 HG13 VAL 107 9.085 -5.049 -5.572 698 HG21 VAL 107 HG21 VAL 107 12.652 -5.874 -5.624 699 HG22 VAL 107 HG22 VAL 107 12.664 -4.296 -6.440 700 HG23 VAL 107 HG23 VAL 107 13.261 -4.451 -4.775 701 H THR 108 H THR 108 8.923 -1.939 -6.091 702 HA THR 108 HA THR 108 6.882 -2.160 -3.961 703 HB THR 108 HB THR 108 8.254 -0.210 -3.385 704 HG1 THR 108 HG1 THR 108 6.536 1.067 -2.944 705 HG21 THR 108 HG21 THR 108 8.206 1.845 -4.656 706 HG22 THR 108 HG22 THR 108 8.850 0.574 -5.693 707 HG23 THR 108 HG23 THR 108 7.169 1.116 -5.901 708 H LEU 109 H LEU 109 4.947 -0.786 -4.632 709 HA LEU 109 HA LEU 109 3.865 -2.023 -7.070 710 HB2 LEU 109 HB2 LEU 109 2.688 -0.273 -4.874 711 HB3 LEU 109 HB3 LEU 109 1.795 -0.690 -6.328 712 HG LEU 109 HG LEU 109 1.985 -3.102 -5.805 713 HD11 LEU 109 HD11 LEU 109 3.947 -3.249 -4.373 714 HD12 LEU 109 HD12 LEU 109 3.214 -2.143 -3.182 715 HD13 LEU 109 HD13 LEU 109 2.541 -3.767 -3.451 716 HD21 LEU 109 HD21 LEU 109 0.790 -1.386 -3.587 717 HD22 LEU 109 HD22 LEU 109 0.016 -1.767 -5.142 718 HD23 LEU 109 HD23 LEU 109 0.336 -3.061 -3.979 719 H ALA 110 H ALA 110 2.982 -0.941 -8.846 720 HA ALA 110 HA ALA 110 3.476 1.940 -9.248 721 HB1 ALA 110 HB1 ALA 110 4.576 -0.198 -11.113 722 HB2 ALA 110 HB2 ALA 110 4.653 1.560 -11.349 723 HB3 ALA 110 HB3 ALA 110 5.558 0.811 -10.015 724 H THR 111 H THR 111 2.650 2.583 -11.513 725 HA THR 111 HA THR 111 0.313 1.056 -12.457 726 HB THR 111 HB THR 111 -0.324 2.146 -10.341 727 HG1 THR 111 HG1 THR 111 -2.297 2.832 -11.203 728 HG21 THR 111 HG21 THR 111 -0.827 4.532 -10.240 729 HG22 THR 111 HG22 THR 111 0.901 4.303 -10.539 730 HG23 THR 111 HG23 THR 111 -0.175 4.786 -11.870 731 HD1 49H 200 HD1 49H 200 0.861 13.055 -13.047 732 HD2 49H 200 HD2 49H 200 2.557 13.039 -9.088 733 HD3 49H 200 HD3 49H 200 -0.923 10.861 -12.091 734 HD4 49H 200 HD4 49H 200 -0.371 11.642 -7.898 735 HD5 49H 200 HD5 49H 200 -3.506 13.485 -13.279 736 HE1 49H 200 HE1 49H 200 2.916 12.000 -13.926 737 HE2 49H 200 HE2 49H 200 4.610 11.994 -9.987 738 HE4 49H 200 HE4 49H 200 -0.002 9.229 -7.502 739 HE5 49H 200 HE5 49H 200 -4.261 13.983 -15.540 740 HE6 49H 200 HE6 49H 200 -0.756 16.323 -16.243 741 HZ2 49H 200 HZ2 49H 200 -0.064 7.630 -9.402 742 HM11 49H 200 HM11 49H 200 -5.018 15.607 -17.268 743 HM12 49H 200 HM12 49H 200 -4.286 15.586 -18.895 744 HM13 49H 200 HM13 49H 200 -4.308 14.094 -17.916 745 HM21 49H 200 HM21 49H 200 2.689 15.177 -16.322 746 HM22 49H 200 HM22 49H 200 2.161 14.085 -15.036 747 HM23 49H 200 HM23 49H 200 1.031 14.597 -16.300 748 HM31 49H 200 HM31 49H 200 2.361 17.450 -13.322 749 HM32 49H 200 HM32 49H 200 2.952 15.780 -13.259 750 HM33 49H 200 HM33 49H 200 3.496 16.869 -14.546 751 HN1 49H 200 HN1 49H 200 -2.592 20.221 -10.172 752 H21 49H 200 H21 49H 200 -0.279 20.525 -10.682 753 H22 49H 200 H22 49H 200 -0.248 19.202 -9.497 754 H31 49H 200 H31 49H 200 -0.211 18.934 -12.539 755 H32 49H 200 H32 49H 200 1.110 18.566 -11.428 756 H41 49H 200 H41 49H 200 -2.418 16.346 -10.916 757 H42 49H 200 H42 49H 200 -2.317 17.046 -12.558 758 H7 49H 200 H7 49H 200 -1.488 13.289 -9.368 759 H8 49H 200 H8 49H 200 0.559 14.226 -9.445 760 H9 49H 200 H9 49H 200 1.163 16.978 -15.452 Start of MODEL 10 1 H1 GLN 23 H GLN 23 15.733 5.770 9.129 2 HA GLN 23 HA GLN 23 15.256 3.368 9.461 3 HB2 GLN 23 HB2 GLN 23 14.239 3.509 11.679 4 HB3 GLN 23 HB3 GLN 23 15.399 4.809 11.433 5 HG2 GLN 23 HG2 GLN 23 13.551 6.408 10.988 6 HG3 GLN 23 HG3 GLN 23 12.367 5.115 11.198 7 HE21 GLN 23 HE22 GLN 23 12.248 4.068 13.409 8 HE22 GLN 23 HE21 GLN 23 12.702 5.055 14.793 9 H ILE 24 H ILE 24 13.531 4.271 7.303 10 HA ILE 24 HA ILE 24 11.128 2.541 7.688 11 HB ILE 24 HB ILE 24 10.052 4.083 6.044 12 HG12 ILE 24 HG12 ILE 24 12.330 5.989 6.796 13 HG13 ILE 24 HG13 ILE 24 12.015 5.312 5.203 14 HG21 ILE 24 HG21 ILE 24 10.691 5.344 8.738 15 HG22 ILE 24 HG22 ILE 24 9.232 5.591 7.746 16 HG23 ILE 24 HG23 ILE 24 9.535 4.017 8.482 17 HD11 ILE 24 HD11 ILE 24 10.394 7.387 6.722 18 HD12 ILE 24 HD12 ILE 24 11.232 7.565 5.176 19 HD13 ILE 24 HD13 ILE 24 9.764 6.571 5.280 20 H ASN 25 H ASN 25 10.143 1.890 5.551 21 HA ASN 25 HA ASN 25 12.181 0.534 4.034 22 HB2 ASN 25 HB2 ASN 25 9.168 0.410 4.221 23 HB3 ASN 25 HB3 ASN 25 9.938 -0.341 2.843 24 HD21 ASN 25 HD22 ASN 25 10.863 -0.275 6.363 25 HD22 ASN 25 HD21 ASN 25 10.934 -2.027 6.458 26 H GLN 26 H GLN 26 12.367 3.266 3.640 27 HA GLN 26 HA GLN 26 11.525 3.821 0.819 28 HB2 GLN 26 HB2 GLN 26 11.563 5.980 2.925 29 HB3 GLN 26 HB3 GLN 26 10.711 5.909 1.385 30 HG2 GLN 26 HG2 GLN 26 10.037 4.420 3.929 31 HG3 GLN 26 HG3 GLN 26 9.120 5.736 3.235 32 HE21 GLN 26 HE22 GLN 26 8.029 3.135 3.887 33 HE22 GLN 26 HE21 GLN 26 7.604 2.350 2.375 34 H VAL 27 H VAL 27 12.530 6.219 0.370 35 HA VAL 27 HA VAL 27 15.442 5.668 0.215 36 HB VAL 27 HB VAL 27 15.259 7.697 -1.457 37 HG11 VAL 27 HG11 VAL 27 15.869 5.352 -1.971 38 HG12 VAL 27 HG12 VAL 27 14.156 4.991 -2.241 39 HG13 VAL 27 HG13 VAL 27 14.982 6.173 -3.274 40 HG21 VAL 27 HG21 VAL 27 12.446 6.612 -1.849 41 HG22 VAL 27 HG22 VAL 27 12.772 8.136 -1.026 42 HG23 VAL 27 HG23 VAL 27 13.264 7.922 -2.707 43 H ARG 28 H ARG 28 16.826 7.649 0.122 44 HA ARG 28 HA ARG 28 16.252 10.000 1.640 45 HB2 ARG 28 HB2 ARG 28 16.672 8.226 3.446 46 HB3 ARG 28 HB3 ARG 28 18.266 7.949 2.785 47 HG2 ARG 28 HG2 ARG 28 17.261 10.436 4.206 48 HG3 ARG 28 HG3 ARG 28 18.300 9.182 4.850 49 HD2 ARG 28 HD2 ARG 28 19.999 9.930 3.028 50 HD3 ARG 28 HD3 ARG 28 18.961 11.377 2.896 51 HE ARG 28 HE ARG 28 19.524 10.918 5.640 52 HH11 ARG 28 HH11 ARG 28 21.245 12.087 2.790 53 HH12 ARG 28 HH12 ARG 28 22.409 12.941 3.771 54 HH21 ARG 28 HH21 ARG 28 21.026 12.056 6.786 55 HH22 ARG 28 HH22 ARG 28 22.273 12.941 5.959 56 HA PRO 29 HA PRO 29 19.486 10.538 -1.456 57 HB2 PRO 29 HB2 PRO 29 19.206 13.152 -1.975 58 HB3 PRO 29 HB3 PRO 29 17.788 12.072 -2.080 59 HG2 PRO 29 HG2 PRO 29 18.627 13.794 0.299 60 HG3 PRO 29 HG3 PRO 29 17.056 13.790 -0.541 61 HD2 PRO 29 HD2 PRO 29 17.568 12.290 1.709 62 HD3 PRO 29 HD3 PRO 29 16.465 11.727 0.435 63 H LYS 30 H LYS 30 21.288 11.910 -2.111 64 HA LYS 30 HA LYS 30 23.069 12.953 0.062 65 HB2 LYS 30 HB2 LYS 30 23.935 11.100 -1.445 66 HB3 LYS 30 HB3 LYS 30 23.744 12.189 -2.823 67 HG2 LYS 30 HG2 LYS 30 25.356 13.785 -1.695 68 HG3 LYS 30 HG3 LYS 30 25.563 12.594 -0.402 69 HD2 LYS 30 HD2 LYS 30 26.505 10.992 -2.051 70 HD3 LYS 30 HD3 LYS 30 26.138 12.122 -3.362 71 HE2 LYS 30 HE2 LYS 30 28.438 12.428 -2.957 72 HE3 LYS 30 HE3 LYS 30 27.639 13.832 -2.243 73 HZ1 LYS 30 HZ1 LYS 30 29.338 12.881 -0.765 74 HZ2 LYS 30 HZ2 LYS 30 27.881 12.749 -0.050 75 HZ3 LYS 30 HZ3 LYS 30 28.586 11.438 -0.731 76 H LEU 31 H LEU 31 24.108 15.093 -0.502 77 HA LEU 31 HA LEU 31 22.321 17.085 -0.912 78 HB2 LEU 31 HB2 LEU 31 24.424 17.435 0.106 79 HB3 LEU 31 HB3 LEU 31 25.316 17.001 -1.336 80 HG LEU 31 HG LEU 31 24.491 19.037 -2.476 81 HD11 LEU 31 HD11 LEU 31 23.453 20.846 -1.118 82 HD12 LEU 31 HD12 LEU 31 22.383 19.449 -1.243 83 HD13 LEU 31 HD13 LEU 31 23.302 19.726 0.253 84 HD21 LEU 31 HD21 LEU 31 25.868 20.626 -1.198 85 HD22 LEU 31 HD22 LEU 31 25.830 19.541 0.211 86 HD23 LEU 31 HD23 LEU 31 26.646 19.037 -1.286 87 HA PRO 32 HA PRO 32 23.076 17.752 -5.577 88 HB2 PRO 32 HB2 PRO 32 23.950 15.051 -6.576 89 HB3 PRO 32 HB3 PRO 32 24.453 16.679 -7.122 90 HG2 PRO 32 HG2 PRO 32 26.105 15.199 -5.573 91 HG3 PRO 32 HG3 PRO 32 25.889 16.948 -5.221 92 HD2 PRO 32 HD2 PRO 32 24.479 14.593 -3.920 93 HD3 PRO 32 HD3 PRO 32 25.346 15.946 -3.143 94 H LEU 33 H LEU 33 21.876 14.614 -4.443 95 HA LEU 33 HA LEU 33 19.704 14.447 -6.448 96 HB2 LEU 33 HB2 LEU 33 20.596 12.754 -4.092 97 HB3 LEU 33 HB3 LEU 33 19.008 12.548 -4.817 98 HG LEU 33 HG LEU 33 20.001 12.052 -7.007 99 HD11 LEU 33 HD11 LEU 33 22.429 11.472 -7.148 100 HD12 LEU 33 HD12 LEU 33 22.148 13.198 -6.940 101 HD13 LEU 33 HD13 LEU 33 22.678 12.213 -5.551 102 HD21 LEU 33 HD21 LEU 33 21.119 10.349 -4.738 103 HD22 LEU 33 HD22 LEU 33 19.469 10.252 -5.395 104 HD23 LEU 33 HD23 LEU 33 20.850 9.827 -6.416 105 H LEU 34 H LEU 34 20.106 15.335 -3.015 106 HA LEU 34 HA LEU 34 17.383 15.973 -2.433 107 HB2 LEU 34 HB2 LEU 34 19.137 15.758 -0.757 108 HB3 LEU 34 HB3 LEU 34 20.016 17.121 -1.393 109 HG LEU 34 HG LEU 34 17.193 17.610 -0.364 110 HD11 LEU 34 HD11 LEU 34 19.684 17.325 1.367 111 HD12 LEU 34 HD12 LEU 34 18.102 17.943 1.895 112 HD13 LEU 34 HD13 LEU 34 18.265 16.255 1.394 113 HD21 LEU 34 HD21 LEU 34 18.164 19.757 0.299 114 HD22 LEU 34 HD22 LEU 34 19.778 19.231 -0.220 115 HD23 LEU 34 HD23 LEU 34 18.493 19.485 -1.411 116 H LYS 35 H LYS 35 19.953 17.903 -3.981 117 HA LYS 35 HA LYS 35 18.765 20.378 -4.248 118 HB2 LYS 35 HB2 LYS 35 21.068 19.254 -5.125 119 HB3 LYS 35 HB3 LYS 35 20.196 19.191 -6.640 120 HG2 LYS 35 HG2 LYS 35 21.502 21.154 -6.636 121 HG3 LYS 35 HG3 LYS 35 19.827 21.695 -6.444 122 HD2 LYS 35 HD2 LYS 35 20.172 22.229 -4.118 123 HD3 LYS 35 HD3 LYS 35 21.620 21.222 -4.027 124 HE2 LYS 35 HE2 LYS 35 22.354 23.483 -3.999 125 HE3 LYS 35 HE3 LYS 35 22.826 22.759 -5.537 126 HZ1 LYS 35 HZ1 LYS 35 20.474 24.556 -5.142 127 HZ2 LYS 35 HZ2 LYS 35 21.885 24.998 -5.823 128 HZ3 LYS 35 HZ3 LYS 35 20.931 23.918 -6.581 129 H ILE 36 H ILE 36 18.147 17.597 -6.388 130 HA ILE 36 HA ILE 36 16.518 18.919 -8.320 131 HB ILE 36 HB ILE 36 16.069 16.036 -7.467 132 HG12 ILE 36 HG12 ILE 36 18.471 16.171 -7.661 133 HG13 ILE 36 HG13 ILE 36 17.793 15.257 -8.985 134 HG21 ILE 36 HG21 ILE 36 15.813 17.501 -10.133 135 HG22 ILE 36 HG22 ILE 36 15.577 15.758 -9.904 136 HG23 ILE 36 HG23 ILE 36 14.493 16.906 -9.113 137 HD11 ILE 36 HD11 ILE 36 18.115 17.112 -10.529 138 HD12 ILE 36 HD12 ILE 36 18.681 18.154 -9.193 139 HD13 ILE 36 HD13 ILE 36 19.627 16.734 -9.678 140 H LEU 37 H LEU 37 15.584 17.099 -5.381 141 HA LEU 37 HA LEU 37 12.760 17.748 -5.622 142 HB2 LEU 37 HB2 LEU 37 14.557 16.371 -3.604 143 HB3 LEU 37 HB3 LEU 37 12.947 16.822 -3.138 144 HG LEU 37 HG LEU 37 13.173 14.482 -3.873 145 HD11 LEU 37 HD11 LEU 37 11.210 16.131 -5.482 146 HD12 LEU 37 HD12 LEU 37 11.080 14.401 -5.094 147 HD13 LEU 37 HD13 LEU 37 11.040 15.594 -3.787 148 HD21 LEU 37 HD21 LEU 37 14.662 14.700 -5.814 149 HD22 LEU 37 HD22 LEU 37 13.153 13.840 -6.173 150 HD23 LEU 37 HD23 LEU 37 13.350 15.522 -6.709 151 H HIS 38 H HIS 38 15.486 19.280 -3.936 152 HA HIS 38 HA HIS 38 13.868 21.093 -2.399 153 HB2 HIS 38 HB2 HIS 38 16.521 20.382 -2.384 154 HB3 HIS 38 HB3 HIS 38 16.623 21.973 -3.119 155 HD2 HIS 38 HD2 HIS 38 14.602 20.419 -0.143 156 HE1 HIS 38 HE1 HIS 38 16.413 24.007 1.298 157 HE2 HIS 38 HE2 HIS 38 14.928 22.034 1.922 158 H ALA 39 H ALA 39 15.222 21.373 -5.699 159 HA ALA 39 HA ALA 39 14.448 24.051 -6.217 160 HB1 ALA 39 HB1 ALA 39 15.806 22.608 -7.743 161 HB2 ALA 39 HB2 ALA 39 14.343 21.656 -8.098 162 HB3 ALA 39 HB3 ALA 39 14.427 23.351 -8.580 163 H ALA 40 H ALA 40 12.450 21.243 -5.699 164 HA ALA 40 HA ALA 40 9.992 22.704 -6.486 165 HB1 ALA 40 HB1 ALA 40 8.968 20.490 -6.672 166 HB2 ALA 40 HB2 ALA 40 10.417 20.632 -7.669 167 HB3 ALA 40 HB3 ALA 40 10.479 19.722 -6.139 168 H GLY 41 H GLY 41 11.600 22.929 -3.852 169 HA2 GLY 41 HA2 GLY 41 10.951 23.624 -1.777 170 HA3 GLY 41 HA3 GLY 41 9.271 23.429 -2.272 171 H ALA 42 H ALA 42 11.235 20.537 -2.392 172 HA ALA 42 HA ALA 42 9.653 19.239 -0.352 173 HB1 ALA 42 HB1 ALA 42 12.120 18.292 -1.829 174 HB2 ALA 42 HB2 ALA 42 10.798 17.275 -1.200 175 HB3 ALA 42 HB3 ALA 42 10.511 18.324 -2.597 176 H GLN 43 H GLN 43 11.476 17.450 0.715 177 HA GLN 43 HA GLN 43 13.806 18.846 1.894 178 HB2 GLN 43 HB2 GLN 43 13.356 17.945 4.140 179 HB3 GLN 43 HB3 GLN 43 12.209 19.174 3.623 180 HG2 GLN 43 HG2 GLN 43 10.509 17.430 3.140 181 HG3 GLN 43 HG3 GLN 43 11.642 16.176 3.658 182 HE21 GLN 43 HE22 GLN 43 12.353 16.205 5.986 183 HE22 GLN 43 HE21 GLN 43 11.259 16.921 7.162 184 H GLY 44 H GLY 44 14.339 17.585 -0.092 185 HA2 GLY 44 HA2 GLY 44 15.788 15.995 -0.907 186 HA3 GLY 44 HA3 GLY 44 15.848 15.252 0.696 187 H GLU 45 H GLU 45 15.336 13.212 0.457 188 HA GLU 45 HA GLU 45 12.895 12.275 -0.914 189 HB2 GLU 45 HB2 GLU 45 15.645 11.124 -1.526 190 HB3 GLU 45 HB3 GLU 45 14.111 10.405 -2.000 191 HG2 GLU 45 HG2 GLU 45 13.558 12.414 -3.310 192 HG3 GLU 45 HG3 GLU 45 15.176 13.064 -2.977 193 H MET 46 H MET 46 13.909 12.602 1.909 194 HA MET 46 HA MET 46 14.302 9.881 2.870 195 HB2 MET 46 HB2 MET 46 15.538 11.701 3.686 196 HB3 MET 46 HB3 MET 46 14.065 12.454 4.358 197 HG2 MET 46 HG2 MET 46 13.818 10.570 5.932 198 HG3 MET 46 HG3 MET 46 15.155 9.717 5.159 199 HE1 MET 46 HE1 MET 46 16.254 9.269 7.500 200 HE2 MET 46 HE2 MET 46 16.561 10.533 8.712 201 HE3 MET 46 HE3 MET 46 14.891 10.103 8.283 202 H PHE 47 H PHE 47 12.152 9.598 1.586 203 HA PHE 47 HA PHE 47 9.944 8.954 3.385 204 HB2 PHE 47 HB2 PHE 47 8.351 10.613 2.269 205 HB3 PHE 47 HB3 PHE 47 9.419 11.180 3.523 206 HD1 PHE 47 HD2 PHE 47 9.401 10.798 -0.212 207 HD2 PHE 47 HD1 PHE 47 10.570 13.222 3.156 208 HE1 PHE 47 HE2 PHE 47 10.110 12.617 -1.735 209 HE2 PHE 47 HE1 PHE 47 11.354 14.984 1.614 210 HZ PHE 47 HZ PHE 47 11.048 14.719 -0.835 211 H THR 48 H THR 48 7.899 8.349 2.173 212 HA THR 48 HA THR 48 8.463 6.192 0.488 213 HB THR 48 HB THR 48 5.709 7.446 0.742 214 HG1 THR 48 HG1 THR 48 5.590 6.626 2.829 215 HG21 THR 48 HG21 THR 48 5.532 5.346 -0.404 216 HG22 THR 48 HG22 THR 48 6.570 4.536 0.788 217 HG23 THR 48 HG23 THR 48 4.967 5.111 1.240 218 H VAL 49 H VAL 49 7.237 5.636 -1.453 219 HA VAL 49 HA VAL 49 8.052 7.003 -3.771 220 HB VAL 49 HB VAL 49 5.753 5.034 -3.402 221 HG11 VAL 49 HG11 VAL 49 7.159 5.900 -5.963 222 HG12 VAL 49 HG12 VAL 49 6.091 4.492 -5.813 223 HG13 VAL 49 HG13 VAL 49 5.441 6.111 -5.567 224 HG21 VAL 49 HG21 VAL 49 7.957 4.115 -2.720 225 HG22 VAL 49 HG22 VAL 49 7.339 3.338 -4.182 226 HG23 VAL 49 HG23 VAL 49 8.617 4.552 -4.312 227 H LYS 50 H LYS 50 4.886 7.112 -2.135 228 HA LYS 50 HA LYS 50 3.610 8.830 -4.021 229 HB2 LYS 50 HB2 LYS 50 3.110 8.551 -1.013 230 HB3 LYS 50 HB3 LYS 50 1.963 9.229 -2.163 231 HG2 LYS 50 HG2 LYS 50 1.602 7.112 -3.235 232 HG3 LYS 50 HG3 LYS 50 2.913 6.330 -2.350 233 HD2 LYS 50 HD2 LYS 50 0.430 7.494 -1.026 234 HD3 LYS 50 HD3 LYS 50 0.621 5.798 -1.488 235 HE2 LYS 50 HE2 LYS 50 2.586 5.572 0.006 236 HE3 LYS 50 HE3 LYS 50 2.462 7.265 0.476 237 HZ1 LYS 50 HZ1 LYS 50 1.370 5.822 2.108 238 HZ2 LYS 50 HZ2 LYS 50 0.246 6.775 1.411 239 HZ3 LYS 50 HZ3 LYS 50 0.365 5.205 0.981 240 H GLU 51 H GLU 51 5.692 9.588 -1.304 241 HA GLU 51 HA GLU 51 5.045 12.450 -1.387 242 HB2 GLU 51 HB2 GLU 51 7.136 10.895 0.186 243 HB3 GLU 51 HB3 GLU 51 6.789 12.627 0.352 244 HG2 GLU 51 HG2 GLU 51 4.373 11.980 0.857 245 HG3 GLU 51 HG3 GLU 51 4.888 10.301 0.889 246 H VAL 52 H VAL 52 7.890 10.404 -2.416 247 HA VAL 52 HA VAL 52 9.351 12.602 -3.655 248 HB VAL 52 HB VAL 52 10.300 10.990 -5.158 249 HG11 VAL 52 HG11 VAL 52 11.571 9.685 -3.498 250 HG12 VAL 52 HG12 VAL 52 11.371 11.352 -2.981 251 HG13 VAL 52 HG13 VAL 52 10.359 10.056 -2.265 252 HG21 VAL 52 HG21 VAL 52 10.028 8.548 -4.721 253 HG22 VAL 52 HG22 VAL 52 8.664 8.947 -3.690 254 HG23 VAL 52 HG23 VAL 52 8.599 9.267 -5.453 255 H MET 53 H MET 53 6.896 10.474 -5.098 256 HA MET 53 HA MET 53 7.030 11.916 -7.585 257 HB2 MET 53 HB2 MET 53 5.426 10.545 -8.448 258 HB3 MET 53 HB3 MET 53 6.259 9.530 -7.275 259 HG2 MET 53 HG2 MET 53 4.394 10.034 -5.650 260 HG3 MET 53 HG3 MET 53 3.545 10.876 -6.946 261 HE1 MET 53 HE1 MET 53 4.362 8.807 -9.495 262 HE2 MET 53 HE2 MET 53 2.799 7.976 -9.499 263 HE3 MET 53 HE3 MET 53 2.864 9.735 -9.236 264 H HIS 54 H HIS 54 5.158 12.625 -4.707 265 HA HIS 54 HA HIS 54 3.338 14.562 -5.859 266 HB2 HIS 54 HB2 HIS 54 2.705 13.942 -3.719 267 HB3 HIS 54 HB3 HIS 54 4.345 13.803 -3.145 268 HD2 HIS 54 HD2 HIS 54 5.158 15.547 -1.529 269 HE1 HIS 54 HE1 HIS 54 2.843 18.888 -2.787 270 HE2 HIS 54 HE2 HIS 54 4.586 18.079 -1.118 271 H TYR 55 H TYR 55 6.370 15.167 -3.991 272 HA TYR 55 HA TYR 55 6.851 17.772 -4.758 273 HB2 TYR 55 HB2 TYR 55 8.825 15.544 -4.299 274 HB3 TYR 55 HB3 TYR 55 9.230 17.265 -4.298 275 HD1 TYR 55 HD2 TYR 55 7.556 18.696 -2.646 276 HD2 TYR 55 HD1 TYR 55 8.737 14.586 -2.199 277 HE1 TYR 55 HE2 TYR 55 7.015 18.818 -0.216 278 HE2 TYR 55 HE1 TYR 55 8.167 14.692 0.230 279 HH TYR 55 HH TYR 55 7.396 15.996 1.962 280 H LEU 56 H LEU 56 7.776 14.837 -6.639 281 HA LEU 56 HA LEU 56 9.141 16.334 -8.690 282 HB2 LEU 56 HB2 LEU 56 9.433 13.942 -7.916 283 HB3 LEU 56 HB3 LEU 56 8.035 13.517 -8.897 284 HG LEU 56 HG LEU 56 10.553 14.859 -10.006 285 HD11 LEU 56 HD11 LEU 56 11.193 12.492 -10.663 286 HD12 LEU 56 HD12 LEU 56 11.253 12.827 -8.930 287 HD13 LEU 56 HD13 LEU 56 9.887 11.923 -9.601 288 HD21 LEU 56 HD21 LEU 56 9.786 13.622 -12.117 289 HD22 LEU 56 HD22 LEU 56 8.235 13.358 -11.298 290 HD23 LEU 56 HD23 LEU 56 8.812 15.001 -11.631 291 H GLY 57 H GLY 57 5.725 15.212 -8.410 292 HA2 GLY 57 HA2 GLY 57 4.783 16.031 -10.968 293 HA3 GLY 57 HA3 GLY 57 3.856 16.015 -9.465 294 H GLN 58 H GLN 58 4.995 17.936 -7.889 295 HA GLN 58 HA GLN 58 4.346 20.390 -9.252 296 HB2 GLN 58 HB2 GLN 58 4.763 21.589 -7.253 297 HB3 GLN 58 HB3 GLN 58 3.784 20.152 -6.964 298 HG2 GLN 58 HG2 GLN 58 5.840 18.997 -6.137 299 HG3 GLN 58 HG3 GLN 58 6.726 20.520 -6.285 300 HE21 GLN 58 HE22 GLN 58 7.173 20.534 -3.946 301 HE22 GLN 58 HE21 GLN 58 5.867 20.756 -2.799 302 H TYR 59 H TYR 59 7.538 18.842 -8.688 303 HA TYR 59 HA TYR 59 9.160 20.970 -9.641 304 HB2 TYR 59 HB2 TYR 59 10.018 18.732 -8.827 305 HB3 TYR 59 HB3 TYR 59 9.497 18.020 -10.326 306 HD1 TYR 59 HD1 TYR 59 10.493 18.845 -12.566 307 HD2 TYR 59 HD2 TYR 59 12.197 19.708 -8.694 308 HE1 TYR 59 HE1 TYR 59 12.705 19.227 -13.621 309 HE2 TYR 59 HE2 TYR 59 14.408 20.072 -9.766 310 HH TYR 59 HH TYR 59 14.967 19.562 -13.254 311 H ILE 60 H ILE 60 7.510 18.412 -11.600 312 HA ILE 60 HA ILE 60 8.169 19.473 -14.165 313 HB ILE 60 HB ILE 60 5.713 17.914 -13.279 314 HG12 ILE 60 HG12 ILE 60 8.068 16.702 -14.756 315 HG13 ILE 60 HG13 ILE 60 8.131 16.871 -13.010 316 HG21 ILE 60 HG21 ILE 60 5.579 17.226 -15.713 317 HG22 ILE 60 HG22 ILE 60 5.225 18.919 -15.432 318 HG23 ILE 60 HG23 ILE 60 6.815 18.448 -16.074 319 HD11 ILE 60 HD11 ILE 60 7.260 14.668 -13.539 320 HD12 ILE 60 HD12 ILE 60 5.983 15.639 -12.783 321 HD13 ILE 60 HD13 ILE 60 5.965 15.361 -14.533 322 H MET 61 H MET 61 5.332 20.125 -12.064 323 HA MET 61 HA MET 61 4.021 21.909 -13.832 324 HB2 MET 61 HB2 MET 61 3.192 20.714 -11.699 325 HB3 MET 61 HB3 MET 61 3.938 22.041 -10.811 326 HG2 MET 61 HG2 MET 61 1.872 22.908 -10.957 327 HG3 MET 61 HG3 MET 61 2.445 23.526 -12.494 328 HE1 MET 61 HE1 MET 61 1.628 22.602 -14.852 329 HE2 MET 61 HE2 MET 61 2.186 20.935 -14.532 330 HE3 MET 61 HE3 MET 61 0.525 21.229 -15.072 331 H VAL 62 H VAL 62 6.593 22.614 -11.444 332 HA VAL 62 HA VAL 62 6.543 25.503 -11.878 333 HB VAL 62 HB VAL 62 8.438 23.675 -10.454 334 HG11 VAL 62 HG11 VAL 62 9.465 25.727 -9.470 335 HG12 VAL 62 HG12 VAL 62 9.807 25.568 -11.191 336 HG13 VAL 62 HG13 VAL 62 8.561 26.715 -10.639 337 HG21 VAL 62 HG21 VAL 62 6.521 25.819 -9.440 338 HG22 VAL 62 HG22 VAL 62 6.199 24.078 -9.405 339 HG23 VAL 62 HG23 VAL 62 7.524 24.740 -8.444 340 H LYS 63 H LYS 63 8.790 22.887 -12.882 341 HA LYS 63 HA LYS 63 10.387 24.553 -14.629 342 HB2 LYS 63 HB2 LYS 63 10.340 21.740 -13.811 343 HB3 LYS 63 HB3 LYS 63 10.445 21.829 -15.550 344 HG2 LYS 63 HG2 LYS 63 12.659 21.763 -14.750 345 HG3 LYS 63 HG3 LYS 63 12.388 23.420 -15.306 346 HD2 LYS 63 HD2 LYS 63 11.903 24.046 -12.879 347 HD3 LYS 63 HD3 LYS 63 12.394 22.419 -12.411 348 HE2 LYS 63 HE2 LYS 63 14.130 24.448 -13.911 349 HE3 LYS 63 HE3 LYS 63 14.176 24.183 -12.168 350 HZ1 LYS 63 HZ1 LYS 63 15.937 22.953 -13.247 351 HZ2 LYS 63 HZ2 LYS 63 14.897 21.874 -12.606 352 HZ3 LYS 63 HZ3 LYS 63 14.917 22.147 -14.233 353 H GLN 64 H GLN 64 7.276 23.189 -15.063 354 HA GLN 64 HA GLN 64 5.800 23.159 -16.701 355 HB2 GLN 64 HB2 GLN 64 5.322 25.277 -17.770 356 HB3 GLN 64 HB3 GLN 64 5.688 25.407 -16.058 357 HG2 GLN 64 HG2 GLN 64 8.084 26.092 -16.785 358 HG3 GLN 64 HG3 GLN 64 7.404 26.296 -18.399 359 HE21 GLN 64 HE22 GLN 64 7.260 27.337 -14.970 360 HE22 GLN 64 HE21 GLN 64 6.508 28.897 -15.304 361 H LEU 65 H LEU 65 7.635 21.496 -17.292 362 HA LEU 65 HA LEU 65 8.622 21.884 -20.024 363 HB2 LEU 65 HB2 LEU 65 9.662 20.778 -17.626 364 HB3 LEU 65 HB3 LEU 65 9.384 19.402 -18.636 365 HG LEU 65 HG LEU 65 11.648 20.095 -18.886 366 HD11 LEU 65 HD11 LEU 65 10.256 21.134 -21.387 367 HD12 LEU 65 HD12 LEU 65 11.930 20.561 -21.243 368 HD13 LEU 65 HD13 LEU 65 10.586 19.433 -21.016 369 HD21 LEU 65 HD21 LEU 65 11.449 22.395 -18.082 370 HD22 LEU 65 HD22 LEU 65 12.347 22.332 -19.604 371 HD23 LEU 65 HD23 LEU 65 10.658 22.884 -19.594 372 H TYR 66 H TYR 66 5.746 21.032 -19.206 373 HA TYR 66 HA TYR 66 5.388 18.513 -20.709 374 HB2 TYR 66 HB2 TYR 66 3.001 18.818 -20.001 375 HB3 TYR 66 HB3 TYR 66 4.148 18.630 -18.689 376 HD1 TYR 66 HD1 TYR 66 2.139 21.159 -20.567 377 HD2 TYR 66 HD2 TYR 66 4.464 20.330 -17.045 378 HE1 TYR 66 HE1 TYR 66 1.436 23.343 -19.613 379 HE2 TYR 66 HE2 TYR 66 3.736 22.517 -16.061 380 HH TYR 66 HH TYR 66 1.583 24.780 -17.806 381 H ASP 67 H ASP 67 3.600 18.439 -22.356 382 HA ASP 67 HA ASP 67 4.195 20.407 -24.399 383 HB2 ASP 67 HB2 ASP 67 3.715 17.969 -24.839 384 HB3 ASP 67 HB3 ASP 67 2.027 18.315 -24.498 385 H GLN 68 H GLN 68 2.851 21.803 -25.462 386 HA GLN 68 HA GLN 68 1.270 23.503 -23.763 387 HB2 GLN 68 HB2 GLN 68 1.198 23.780 -26.760 388 HB3 GLN 68 HB3 GLN 68 1.212 25.009 -25.535 389 HG2 GLN 68 HG2 GLN 68 3.207 25.089 -26.895 390 HG3 GLN 68 HG3 GLN 68 3.629 24.711 -25.221 391 HE21 GLN 68 HE22 GLN 68 2.451 22.429 -27.851 392 HE22 GLN 68 HE21 GLN 68 3.784 21.338 -27.563 393 H GLN 69 H GLN 69 0.495 21.073 -26.239 394 HA GLN 69 HA GLN 69 -2.414 21.663 -26.130 395 HB2 GLN 69 HB2 GLN 69 -0.709 19.993 -28.018 396 HB3 GLN 69 HB3 GLN 69 -2.463 19.975 -27.998 397 HG2 GLN 69 HG2 GLN 69 -1.919 21.468 -29.717 398 HG3 GLN 69 HG3 GLN 69 -2.485 22.457 -28.383 399 HE21 GLN 69 HE22 GLN 69 -1.414 24.353 -29.250 400 HE22 GLN 69 HE21 GLN 69 0.336 24.483 -29.247 401 H GLU 70 H GLU 70 -0.082 19.350 -24.908 402 HA GLU 70 HA GLU 70 -2.321 18.012 -23.476 403 HB2 GLU 70 HB2 GLU 70 -1.096 15.768 -23.980 404 HB3 GLU 70 HB3 GLU 70 -2.279 16.449 -25.085 405 HG2 GLU 70 HG2 GLU 70 -0.495 17.343 -26.539 406 HG3 GLU 70 HG3 GLU 70 0.730 16.690 -25.441 407 H GLN 71 H GLN 71 -1.759 18.975 -21.607 408 HA GLN 71 HA GLN 71 0.732 19.004 -20.291 409 HB2 GLN 71 HB2 GLN 71 -2.081 18.703 -19.134 410 HB3 GLN 71 HB3 GLN 71 -0.641 19.081 -18.211 411 HG2 GLN 71 HG2 GLN 71 -1.647 21.160 -18.496 412 HG3 GLN 71 HG3 GLN 71 -0.330 21.156 -19.657 413 HE21 GLN 71 HE22 GLN 71 -1.808 23.066 -20.407 414 HE22 GLN 71 HE21 GLN 71 -3.030 22.633 -21.593 415 H HIS 72 H HIS 72 -1.386 16.314 -20.869 416 HA HIS 72 HA HIS 72 -0.524 14.456 -18.929 417 HB2 HIS 72 HB2 HIS 72 -2.331 13.625 -20.054 418 HB3 HIS 72 HB3 HIS 72 -1.930 14.452 -21.547 419 HD2 HIS 72 HD2 HIS 72 -1.929 11.010 -20.084 420 HE1 HIS 72 HE1 HIS 72 0.303 10.734 -23.711 421 HE2 HIS 72 HE2 HIS 72 -0.844 9.399 -21.872 422 H MET 73 H MET 73 1.132 15.602 -21.831 423 HA MET 73 HA MET 73 3.173 13.458 -21.645 424 HB2 MET 73 HB2 MET 73 2.085 13.904 -23.831 425 HB3 MET 73 HB3 MET 73 2.694 15.565 -23.788 426 HG2 MET 73 HG2 MET 73 4.113 14.172 -25.191 427 HG3 MET 73 HG3 MET 73 5.013 14.724 -23.782 428 HE1 MET 73 HE1 MET 73 6.899 13.085 -24.151 429 HE2 MET 73 HE2 MET 73 6.736 11.324 -24.349 430 HE3 MET 73 HE3 MET 73 6.143 12.419 -25.617 431 H VAL 74 H VAL 74 5.187 13.819 -20.916 432 HA VAL 74 HA VAL 74 5.961 16.590 -20.080 433 HB VAL 74 HB VAL 74 6.473 13.974 -18.618 434 HG11 VAL 74 HG11 VAL 74 7.118 16.877 -17.936 435 HG12 VAL 74 HG12 VAL 74 7.241 15.514 -16.800 436 HG13 VAL 74 HG13 VAL 74 8.278 15.559 -18.219 437 HG21 VAL 74 HG21 VAL 74 4.956 14.905 -16.889 438 HG22 VAL 74 HG22 VAL 74 4.569 16.268 -17.966 439 HG23 VAL 74 HG23 VAL 74 4.104 14.610 -18.403 440 H TYR 75 H TYR 75 7.856 17.293 -20.862 441 HA TYR 75 HA TYR 75 9.865 15.373 -21.930 442 HB2 TYR 75 HB2 TYR 75 9.355 18.290 -22.542 443 HB3 TYR 75 HB3 TYR 75 10.779 17.398 -23.067 444 HD1 TYR 75 HD1 TYR 75 10.519 15.303 -24.414 445 HD2 TYR 75 HD2 TYR 75 7.231 17.999 -23.686 446 HE1 TYR 75 HE1 TYR 75 9.208 14.158 -26.157 447 HE2 TYR 75 HE2 TYR 75 5.929 16.891 -25.506 448 HH TYR 75 HH TYR 75 7.245 14.146 -27.407 449 H CYS 76 H CYS 76 12.131 15.987 -21.508 450 HA CYS 76 HA CYS 76 12.757 17.632 -19.115 451 HB2 CYS 76 HB2 CYS 76 12.758 14.648 -19.262 452 HB3 CYS 76 HB3 CYS 76 14.202 15.363 -18.547 453 HG CYS 76 HG CYS 76 11.094 16.238 -17.818 454 H GLY 77 H GLY 77 13.339 17.863 -22.032 455 HA2 GLY 77 HA2 GLY 77 15.856 16.823 -22.668 456 HA3 GLY 77 HA3 GLY 77 15.109 18.203 -23.479 457 H GLY 78 H GLY 78 17.767 17.202 -21.806 458 HA2 GLY 78 HA2 GLY 78 19.623 18.231 -20.971 459 HA3 GLY 78 HA3 GLY 78 18.972 19.789 -21.481 460 H ASP 79 H ASP 79 16.869 18.054 -19.192 461 HA ASP 79 HA ASP 79 17.620 20.070 -17.172 462 HB2 ASP 79 HB2 ASP 79 15.248 19.829 -17.969 463 HB3 ASP 79 HB3 ASP 79 15.210 18.242 -17.193 464 H LEU 80 H LEU 80 18.059 19.566 -15.056 465 HA LEU 80 HA LEU 80 19.650 17.298 -14.582 466 HB2 LEU 80 HB2 LEU 80 19.500 19.691 -13.446 467 HB3 LEU 80 HB3 LEU 80 18.429 18.864 -12.320 468 HG LEU 80 HG LEU 80 20.287 17.258 -11.804 469 HD11 LEU 80 HD11 LEU 80 22.612 17.847 -12.527 470 HD12 LEU 80 HD12 LEU 80 21.619 17.248 -13.847 471 HD13 LEU 80 HD13 LEU 80 21.926 18.993 -13.700 472 HD21 LEU 80 HD21 LEU 80 21.658 18.835 -10.545 473 HD22 LEU 80 HD22 LEU 80 21.200 20.169 -11.627 474 HD23 LEU 80 HD23 LEU 80 19.996 19.449 -10.551 475 H LEU 81 H LEU 81 16.189 17.681 -14.313 476 HA LEU 81 HA LEU 81 15.689 15.270 -12.764 477 HB2 LEU 81 HB2 LEU 81 14.047 17.081 -12.971 478 HB3 LEU 81 HB3 LEU 81 13.972 16.841 -14.726 479 HG LEU 81 HG LEU 81 12.986 14.609 -14.404 480 HD11 LEU 81 HD11 LEU 81 12.232 13.876 -12.157 481 HD12 LEU 81 HD12 LEU 81 13.987 13.923 -12.263 482 HD13 LEU 81 HD13 LEU 81 13.121 15.226 -11.417 483 HD21 LEU 81 HD21 LEU 81 10.819 15.254 -13.639 484 HD22 LEU 81 HD22 LEU 81 11.482 16.572 -12.654 485 HD23 LEU 81 HD23 LEU 81 11.525 16.670 -14.430 486 H GLY 82 H GLY 82 16.046 15.952 -16.288 487 HA2 GLY 82 HA2 GLY 82 15.414 13.248 -17.174 488 HA3 GLY 82 HA3 GLY 82 16.300 14.477 -18.087 489 H GLU 83 H GLU 83 18.453 14.934 -16.140 490 HA GLU 83 HA GLU 83 20.177 12.690 -16.613 491 HB2 GLU 83 HB2 GLU 83 21.062 14.879 -16.470 492 HB3 GLU 83 HB3 GLU 83 20.172 15.232 -15.002 493 HG2 GLU 83 HG2 GLU 83 22.463 15.035 -14.494 494 HG3 GLU 83 HG3 GLU 83 21.509 13.792 -13.691 495 H LEU 84 H LEU 84 18.201 13.666 -13.742 496 HA LEU 84 HA LEU 84 19.113 11.567 -12.051 497 HB2 LEU 84 HB2 LEU 84 17.926 13.580 -11.225 498 HB3 LEU 84 HB3 LEU 84 16.466 13.073 -12.069 499 HG LEU 84 HG LEU 84 16.411 10.990 -10.623 500 HD11 LEU 84 HD11 LEU 84 18.764 10.925 -9.891 501 HD12 LEU 84 HD12 LEU 84 18.567 12.492 -9.073 502 HD13 LEU 84 HD13 LEU 84 17.686 11.058 -8.498 503 HD21 LEU 84 HD21 LEU 84 16.292 13.610 -9.103 504 HD22 LEU 84 HD22 LEU 84 15.007 12.960 -10.146 505 HD23 LEU 84 HD23 LEU 84 15.487 12.089 -8.685 506 H LEU 85 H LEU 85 16.264 11.732 -14.212 507 HA LEU 85 HA LEU 85 15.329 9.051 -13.550 508 HB2 LEU 85 HB2 LEU 85 14.572 11.040 -15.730 509 HB3 LEU 85 HB3 LEU 85 13.727 9.522 -15.461 510 HG LEU 85 HG LEU 85 13.921 11.737 -13.371 511 HD11 LEU 85 HD11 LEU 85 11.642 10.971 -15.248 512 HD12 LEU 85 HD12 LEU 85 11.582 12.212 -13.978 513 HD13 LEU 85 HD13 LEU 85 12.648 12.430 -15.376 514 HD21 LEU 85 HD21 LEU 85 12.178 9.247 -13.514 515 HD22 LEU 85 HD22 LEU 85 13.499 9.531 -12.360 516 HD23 LEU 85 HD23 LEU 85 12.048 10.540 -12.303 517 H GLY 86 H GLY 86 17.537 10.299 -15.979 518 HA2 GLY 86 HA2 GLY 86 18.875 9.142 -17.481 519 HA3 GLY 86 HA3 GLY 86 18.077 7.619 -17.074 520 H ARG 87 H ARG 87 15.838 10.107 -17.766 521 HA ARG 87 HA ARG 87 15.671 9.609 -20.665 522 HB2 ARG 87 HB2 ARG 87 13.505 8.875 -18.640 523 HB3 ARG 87 HB3 ARG 87 13.083 9.366 -20.278 524 HG2 ARG 87 HG2 ARG 87 14.533 7.527 -21.186 525 HG3 ARG 87 HG3 ARG 87 14.801 6.972 -19.524 526 HD2 ARG 87 HD2 ARG 87 13.004 5.664 -20.553 527 HD3 ARG 87 HD3 ARG 87 12.382 6.633 -19.227 528 HE ARG 87 HE ARG 87 11.222 8.057 -20.744 529 HH11 ARG 87 HH11 ARG 87 12.832 5.519 -22.565 530 HH12 ARG 87 HH12 ARG 87 11.976 5.928 -24.026 531 HH21 ARG 87 HH21 ARG 87 10.301 8.589 -22.601 532 HH22 ARG 87 HH22 ARG 87 10.540 7.630 -24.044 533 H GLN 88 H GLN 88 14.740 11.105 -21.882 534 HA GLN 88 HA GLN 88 14.159 13.687 -20.532 535 HB2 GLN 88 HB2 GLN 88 15.106 13.166 -23.352 536 HB3 GLN 88 HB3 GLN 88 14.781 14.757 -22.624 537 HG2 GLN 88 HG2 GLN 88 16.453 14.340 -20.867 538 HG3 GLN 88 HG3 GLN 88 16.807 12.746 -21.542 539 HE21 GLN 88 HE22 GLN 88 17.607 12.728 -23.926 540 HE22 GLN 88 HE21 GLN 88 18.666 14.061 -24.361 541 H SER 89 H SER 89 12.268 11.269 -21.456 542 HA SER 89 HA SER 89 10.029 13.080 -21.456 543 HB2 SER 89 HB2 SER 89 8.884 12.369 -23.449 544 HB3 SER 89 HB3 SER 89 10.430 13.097 -23.866 545 HG SER 89 HG SER 89 11.283 11.079 -24.306 546 H PHE 90 H PHE 90 8.118 12.247 -20.812 547 HA PHE 90 HA PHE 90 7.439 9.448 -20.670 548 HB2 PHE 90 HB2 PHE 90 7.294 9.299 -18.206 549 HB3 PHE 90 HB3 PHE 90 8.933 9.430 -18.778 550 HD1 PHE 90 HD2 PHE 90 10.304 11.433 -18.348 551 HD2 PHE 90 HD1 PHE 90 6.280 11.083 -16.829 552 HE1 PHE 90 HE2 PHE 90 10.750 13.264 -16.736 553 HE2 PHE 90 HE1 PHE 90 6.740 12.907 -15.214 554 HZ PHE 90 HZ PHE 90 8.992 13.972 -15.136 555 H SER 91 H SER 91 5.271 9.420 -19.043 556 HA SER 91 HA SER 91 3.746 11.939 -19.462 557 HB2 SER 91 HB2 SER 91 1.971 10.899 -20.631 558 HB3 SER 91 HB3 SER 91 3.449 10.389 -21.459 559 HG SER 91 HG SER 91 2.353 8.521 -21.145 560 H VAL 92 H VAL 92 1.569 11.860 -18.440 561 HA VAL 92 HA VAL 92 1.659 10.729 -15.754 562 HB VAL 92 HB VAL 92 -0.500 11.686 -15.390 563 HG11 VAL 92 HG11 VAL 92 -0.041 14.010 -15.818 564 HG12 VAL 92 HG12 VAL 92 1.487 13.200 -15.449 565 HG13 VAL 92 HG13 VAL 92 1.089 13.628 -17.122 566 HG21 VAL 92 HG21 VAL 92 -1.743 12.883 -17.189 567 HG22 VAL 92 HG22 VAL 92 -0.625 12.193 -18.387 568 HG23 VAL 92 HG23 VAL 92 -1.695 11.136 -17.442 569 H LYS 93 H LYS 93 0.859 9.309 -18.733 570 HA LYS 93 HA LYS 93 -0.865 7.199 -17.541 571 HB2 LYS 93 HB2 LYS 93 -1.359 8.156 -19.808 572 HB3 LYS 93 HB3 LYS 93 0.196 7.562 -20.372 573 HG2 LYS 93 HG2 LYS 93 -1.538 6.069 -21.115 574 HG3 LYS 93 HG3 LYS 93 -0.503 5.233 -19.972 575 HD2 LYS 93 HD2 LYS 93 -2.814 4.624 -19.606 576 HD3 LYS 93 HD3 LYS 93 -2.230 5.509 -18.196 577 HE2 LYS 93 HE2 LYS 93 -3.354 7.570 -19.005 578 HE3 LYS 93 HE3 LYS 93 -3.854 6.731 -20.480 579 HZ1 LYS 93 HZ1 LYS 93 -5.647 6.780 -18.840 580 HZ2 LYS 93 HZ2 LYS 93 -5.200 5.235 -19.100 581 HZ3 LYS 93 HZ3 LYS 93 -4.738 6.002 -17.732 582 H ASP 94 H ASP 94 2.436 7.722 -18.686 583 HA ASP 94 HA ASP 94 3.273 5.099 -17.507 584 HB2 ASP 94 HB2 ASP 94 4.231 6.429 -20.059 585 HB3 ASP 94 HB3 ASP 94 5.039 5.071 -19.276 586 HA PRO 95 HA PRO 95 5.789 8.396 -15.383 587 HB2 PRO 95 HB2 PRO 95 5.055 7.970 -12.804 588 HB3 PRO 95 HB3 PRO 95 4.029 8.905 -13.933 589 HG2 PRO 95 HG2 PRO 95 3.800 5.942 -13.260 590 HG3 PRO 95 HG3 PRO 95 2.516 7.190 -13.167 591 HD2 PRO 95 HD2 PRO 95 2.812 5.587 -15.345 592 HD3 PRO 95 HD3 PRO 95 2.345 7.307 -15.516 593 H SER 96 H SER 96 5.876 5.182 -15.890 594 HA SER 96 HA SER 96 7.143 3.777 -13.993 595 HB2 SER 96 HB2 SER 96 7.903 3.634 -16.926 596 HB3 SER 96 HB3 SER 96 7.948 2.330 -15.725 597 HG SER 96 HG SER 96 6.045 2.211 -16.998 598 HA PRO 97 HA PRO 97 11.609 5.213 -15.243 599 HB2 PRO 97 HB2 PRO 97 11.005 8.161 -15.574 600 HB3 PRO 97 HB3 PRO 97 12.338 7.193 -16.287 601 HG2 PRO 97 HG2 PRO 97 10.192 7.744 -17.803 602 HG3 PRO 97 HG3 PRO 97 10.789 6.049 -17.758 603 HD2 PRO 97 HD2 PRO 97 8.522 7.266 -16.163 604 HD3 PRO 97 HD3 PRO 97 8.523 5.766 -17.139 605 H LEU 98 H LEU 98 9.329 7.180 -13.311 606 HA LEU 98 HA LEU 98 11.207 7.920 -11.211 607 HB2 LEU 98 HB2 LEU 98 8.166 7.598 -11.296 608 HB3 LEU 98 HB3 LEU 98 9.046 8.001 -9.835 609 HG LEU 98 HG LEU 98 9.925 10.056 -10.910 610 HD11 LEU 98 HD11 LEU 98 8.714 10.982 -12.871 611 HD12 LEU 98 HD12 LEU 98 9.685 9.581 -13.307 612 HD13 LEU 98 HD13 LEU 98 7.923 9.412 -13.116 613 HD21 LEU 98 HD21 LEU 98 7.745 11.246 -10.680 614 HD22 LEU 98 HD22 LEU 98 6.897 9.693 -10.782 615 HD23 LEU 98 HD23 LEU 98 7.973 10.039 -9.408 616 H TYR 99 H TYR 99 8.900 5.216 -11.638 617 HA TYR 99 HA TYR 99 9.528 3.981 -9.138 618 HB2 TYR 99 HB2 TYR 99 8.285 2.844 -11.683 619 HB3 TYR 99 HB3 TYR 99 8.387 1.977 -10.163 620 HD1 TYR 99 HD1 TYR 99 6.784 4.876 -11.876 621 HD2 TYR 99 HD2 TYR 99 6.925 2.458 -8.302 622 HE1 TYR 99 HE1 TYR 99 4.629 5.858 -11.122 623 HE2 TYR 99 HE2 TYR 99 4.737 3.403 -7.583 624 HH TYR 99 HH TYR 99 3.009 4.833 -8.094 625 H ASP 100 H ASP 100 10.961 3.585 -12.407 626 HA ASP 100 HA ASP 100 12.718 1.467 -11.594 627 HB2 ASP 100 HB2 ASP 100 12.086 2.214 -13.955 628 HB3 ASP 100 HB3 ASP 100 13.312 3.461 -13.787 629 H MET 101 H MET 101 13.004 4.979 -11.394 630 HA MET 101 HA MET 101 15.723 5.123 -10.444 631 HB2 MET 101 HB2 MET 101 15.060 7.198 -11.068 632 HB3 MET 101 HB3 MET 101 13.366 6.873 -10.788 633 HG2 MET 101 HG2 MET 101 13.750 7.161 -8.343 634 HG3 MET 101 HG3 MET 101 15.370 7.757 -8.730 635 HE1 MET 101 HE1 MET 101 11.509 8.278 -8.819 636 HE2 MET 101 HE2 MET 101 12.259 9.009 -7.381 637 HE3 MET 101 HE3 MET 101 11.461 10.043 -8.572 638 H LEU 102 H LEU 102 12.604 4.534 -8.842 639 HA LEU 102 HA LEU 102 13.770 4.597 -6.163 640 HB2 LEU 102 HB2 LEU 102 10.974 4.033 -7.218 641 HB3 LEU 102 HB3 LEU 102 11.362 4.101 -5.504 642 HG LEU 102 HG LEU 102 11.963 6.429 -7.364 643 HD11 LEU 102 HD11 LEU 102 9.524 5.868 -7.415 644 HD12 LEU 102 HD12 LEU 102 9.489 6.141 -5.656 645 HD13 LEU 102 HD13 LEU 102 9.907 7.463 -6.771 646 HD21 LEU 102 HD21 LEU 102 13.137 6.403 -5.164 647 HD22 LEU 102 HD22 LEU 102 12.019 7.743 -5.333 648 HD23 LEU 102 HD23 LEU 102 11.558 6.330 -4.352 649 H ARG 103 H ARG 103 12.479 1.950 -8.206 650 HA ARG 103 HA ARG 103 12.398 -0.072 -6.279 651 HB2 ARG 103 HB2 ARG 103 12.342 -1.632 -8.141 652 HB3 ARG 103 HB3 ARG 103 11.404 -0.187 -8.491 653 HG2 ARG 103 HG2 ARG 103 12.379 -0.406 -10.498 654 HG3 ARG 103 HG3 ARG 103 13.604 0.593 -9.730 655 HD2 ARG 103 HD2 ARG 103 14.785 -1.062 -10.917 656 HD3 ARG 103 HD3 ARG 103 14.887 -1.567 -9.237 657 HE ARG 103 HE ARG 103 13.526 -3.413 -9.681 658 HH11 ARG 103 HH11 ARG 103 13.583 -1.425 -12.647 659 HH12 ARG 103 HH12 ARG 103 12.890 -2.729 -13.563 660 HH21 ARG 103 HH21 ARG 103 12.639 -4.956 -10.974 661 HH22 ARG 103 HH22 ARG 103 12.371 -4.646 -12.663 662 H LYS 104 H LYS 104 15.203 1.055 -7.914 663 HA LYS 104 HA LYS 104 17.054 -1.048 -7.011 664 HB2 LYS 104 HB2 LYS 104 17.688 1.786 -7.947 665 HB3 LYS 104 HB3 LYS 104 18.797 0.409 -7.883 666 HG2 LYS 104 HG2 LYS 104 17.349 -0.762 -9.572 667 HG3 LYS 104 HG3 LYS 104 16.390 0.721 -9.706 668 HD2 LYS 104 HD2 LYS 104 19.365 0.503 -10.322 669 HD3 LYS 104 HD3 LYS 104 18.065 0.472 -11.523 670 HE2 LYS 104 HE2 LYS 104 17.339 2.744 -10.813 671 HE3 LYS 104 HE3 LYS 104 18.651 2.796 -9.628 672 HZ1 LYS 104 HZ1 LYS 104 20.242 2.608 -11.483 673 HZ2 LYS 104 HZ2 LYS 104 19.027 2.573 -12.576 674 HZ3 LYS 104 HZ3 LYS 104 19.293 3.918 -11.691 675 H ASN 105 H ASN 105 15.783 1.886 -5.631 676 HA ASN 105 HA ASN 105 18.047 2.142 -3.735 677 HB2 ASN 105 HB2 ASN 105 17.194 3.848 -5.498 678 HB3 ASN 105 HB3 ASN 105 15.894 4.176 -4.377 679 HD21 ASN 105 HD22 ASN 105 17.476 6.266 -5.025 680 HD22 ASN 105 HD21 ASN 105 18.588 6.640 -3.718 681 H LEU 106 H LEU 106 14.393 2.134 -3.604 682 HA LEU 106 HA LEU 106 14.587 1.390 -0.732 683 HB2 LEU 106 HB2 LEU 106 12.199 2.054 -0.636 684 HB3 LEU 106 HB3 LEU 106 13.336 3.344 -0.938 685 HG LEU 106 HG LEU 106 12.686 3.475 -3.254 686 HD11 LEU 106 HD11 LEU 106 12.088 1.344 -4.042 687 HD12 LEU 106 HD12 LEU 106 10.985 1.045 -2.715 688 HD13 LEU 106 HD13 LEU 106 10.554 2.208 -3.995 689 HD21 LEU 106 HD21 LEU 106 11.402 4.675 -1.472 690 HD22 LEU 106 HD22 LEU 106 10.462 4.361 -2.928 691 HD23 LEU 106 HD23 LEU 106 10.222 3.359 -1.474 692 H VAL 107 H VAL 107 12.847 -0.041 -0.002 693 HA VAL 107 HA VAL 107 12.291 -2.256 -1.905 694 HB VAL 107 HB VAL 107 11.861 -3.640 0.101 695 HG11 VAL 107 HG11 VAL 107 14.659 -2.445 -0.015 696 HG12 VAL 107 HG12 VAL 107 14.211 -4.025 0.661 697 HG13 VAL 107 HG13 VAL 107 14.031 -3.725 -1.075 698 HG21 VAL 107 HG21 VAL 107 12.640 -2.972 2.292 699 HG22 VAL 107 HG22 VAL 107 13.136 -1.380 1.698 700 HG23 VAL 107 HG23 VAL 107 11.412 -1.831 1.736 701 H THR 108 H THR 108 10.846 0.133 -0.111 702 HA THR 108 HA THR 108 8.758 0.852 0.360 703 HB THR 108 HB THR 108 9.129 1.467 -1.949 704 HG1 THR 108 HG1 THR 108 6.916 2.002 -2.296 705 HG21 THR 108 HG21 THR 108 7.735 0.507 -3.743 706 HG22 THR 108 HG22 THR 108 8.977 -0.616 -3.196 707 HG23 THR 108 HG23 THR 108 7.290 -0.847 -2.677 708 H LEU 109 H LEU 109 6.189 0.186 -0.445 709 HA LEU 109 HA LEU 109 5.580 -1.914 1.520 710 HB2 LEU 109 HB2 LEU 109 3.743 -0.257 -0.252 711 HB3 LEU 109 HB3 LEU 109 3.232 -1.292 1.077 712 HG LEU 109 HG LEU 109 4.935 1.229 1.339 713 HD11 LEU 109 HD11 LEU 109 2.573 1.655 0.772 714 HD12 LEU 109 HD12 LEU 109 2.056 0.655 2.148 715 HD13 LEU 109 HD13 LEU 109 2.948 2.168 2.426 716 HD21 LEU 109 HD21 LEU 109 5.533 -0.340 3.130 717 HD22 LEU 109 HD22 LEU 109 4.548 0.970 3.784 718 HD23 LEU 109 HD23 LEU 109 3.813 -0.621 3.490 719 H ALA 110 H ALA 110 4.392 -3.803 1.165 720 HA ALA 110 HA ALA 110 3.964 -4.823 -1.564 721 HB1 ALA 110 HB1 ALA 110 6.347 -5.363 -1.082 722 HB2 ALA 110 HB2 ALA 110 5.831 -6.202 0.408 723 HB3 ALA 110 HB3 ALA 110 5.329 -6.817 -1.179 724 H THR 111 H THR 111 3.136 -7.158 -1.439 725 HA THR 111 HA THR 111 1.538 -7.829 0.936 726 HB THR 111 HB THR 111 0.382 -5.974 -0.200 727 HG1 THR 111 HG1 THR 111 -1.630 -7.004 -0.029 728 HG21 THR 111 HG21 THR 111 -0.902 -6.326 -2.243 729 HG22 THR 111 HG22 THR 111 0.821 -6.533 -2.581 730 HG23 THR 111 HG23 THR 111 -0.233 -7.959 -2.438 731 HD1 49H 200 HD1 49H 200 1.357 13.860 -13.179 732 HD2 49H 200 HD2 49H 200 2.776 13.080 -9.186 733 HD3 49H 200 HD3 49H 200 -0.458 11.213 -12.444 734 HD4 49H 200 HD4 49H 200 -0.020 11.809 -8.199 735 HD5 49H 200 HD5 49H 200 -2.917 13.860 -13.633 736 HE1 49H 200 HE1 49H 200 3.420 12.864 -14.100 737 HE2 49H 200 HE2 49H 200 4.839 12.095 -10.126 738 HE4 49H 200 HE4 49H 200 0.317 9.381 -7.893 739 HE5 49H 200 HE5 49H 200 -3.620 14.605 -15.834 740 HE6 49H 200 HE6 49H 200 -0.480 17.498 -15.913 741 HZ2 49H 200 HZ2 49H 200 0.268 7.862 -9.858 742 HM11 49H 200 HM11 49H 200 -4.485 16.250 -17.441 743 HM12 49H 200 HM12 49H 200 -3.628 16.593 -18.968 744 HM13 49H 200 HM13 49H 200 -3.441 14.999 -18.188 745 HM21 49H 200 HM21 49H 200 3.145 16.977 -15.823 746 HM22 49H 200 HM22 49H 200 2.734 15.633 -14.743 747 HM23 49H 200 HM23 49H 200 1.628 16.111 -16.042 748 HM31 49H 200 HM31 49H 200 2.138 18.643 -12.571 749 HM32 49H 200 HM32 49H 200 3.130 17.192 -12.776 750 HM33 49H 200 HM33 49H 200 3.409 18.617 -13.796 751 HN1 49H 200 HN1 49H 200 -3.180 20.081 -9.436 752 H21 49H 200 H21 49H 200 -2.871 17.512 -9.046 753 H22 49H 200 H22 49H 200 -3.969 18.013 -10.345 754 H31 49H 200 H31 49H 200 -2.325 16.235 -10.922 755 H32 49H 200 H32 49H 200 -2.298 17.618 -12.035 756 H41 49H 200 H41 49H 200 0.127 19.336 -11.506 757 H42 49H 200 H42 49H 200 0.598 18.966 -9.835 758 H7 49H 200 H7 49H 200 -1.206 13.468 -9.627 759 H8 49H 200 H8 49H 200 0.844 14.424 -9.466 760 H9 49H 200 H9 49H 200 1.216 18.321 -14.888 Start of MODEL 11 1 H1 GLN 23 H GLN 23 15.717 1.555 10.376 2 HA GLN 23 HA GLN 23 15.751 4.368 9.655 3 HB2 GLN 23 HB2 GLN 23 17.971 3.549 8.854 4 HB3 GLN 23 HB3 GLN 23 17.150 2.390 7.805 5 HG2 GLN 23 HG2 GLN 23 16.133 4.245 6.526 6 HG3 GLN 23 HG3 GLN 23 16.818 5.424 7.654 7 HE21 GLN 23 HE22 GLN 23 17.715 2.927 5.202 8 HE22 GLN 23 HE21 GLN 23 19.268 3.665 4.836 9 H ILE 24 H ILE 24 14.186 4.920 8.095 10 HA ILE 24 HA ILE 24 11.925 3.159 7.885 11 HB ILE 24 HB ILE 24 11.070 4.927 6.290 12 HG12 ILE 24 HG12 ILE 24 13.525 6.477 7.238 13 HG13 ILE 24 HG13 ILE 24 13.185 5.971 5.589 14 HG21 ILE 24 HG21 ILE 24 10.393 6.367 8.095 15 HG22 ILE 24 HG22 ILE 24 10.442 4.697 8.654 16 HG23 ILE 24 HG23 ILE 24 11.755 5.815 9.108 17 HD11 ILE 24 HD11 ILE 24 11.104 7.495 5.688 18 HD12 ILE 24 HD12 ILE 24 11.734 8.085 7.233 19 HD13 ILE 24 HD13 ILE 24 12.672 8.304 5.752 20 H ASN 25 H ASN 25 10.765 2.509 6.065 21 HA ASN 25 HA ASN 25 12.543 1.124 4.222 22 HB2 ASN 25 HB2 ASN 25 9.576 0.707 4.702 23 HB3 ASN 25 HB3 ASN 25 10.703 -0.435 3.956 24 HD21 ASN 25 HD22 ASN 25 12.740 -0.875 5.588 25 HD22 ASN 25 HD21 ASN 25 12.242 -1.131 7.251 26 H GLN 26 H GLN 26 12.865 3.301 3.266 27 HA GLN 26 HA GLN 26 11.533 3.789 0.735 28 HB2 GLN 26 HB2 GLN 26 10.809 6.132 1.441 29 HB3 GLN 26 HB3 GLN 26 9.773 4.786 1.789 30 HG2 GLN 26 HG2 GLN 26 11.513 5.287 4.079 31 HG3 GLN 26 HG3 GLN 26 10.752 6.769 3.583 32 HE21 GLN 26 HE22 GLN 26 9.271 3.412 3.481 33 HE22 GLN 26 HE21 GLN 26 8.090 3.811 4.709 34 H VAL 27 H VAL 27 12.372 6.336 0.158 35 HA VAL 27 HA VAL 27 15.277 5.726 -0.057 36 HB VAL 27 HB VAL 27 14.996 7.690 -1.833 37 HG11 VAL 27 HG11 VAL 27 14.060 4.845 -2.269 38 HG12 VAL 27 HG12 VAL 27 14.521 6.000 -3.550 39 HG13 VAL 27 HG13 VAL 27 15.726 5.499 -2.363 40 HG21 VAL 27 HG21 VAL 27 12.921 7.737 -3.011 41 HG22 VAL 27 HG22 VAL 27 12.179 6.540 -1.937 42 HG23 VAL 27 HG23 VAL 27 12.584 8.167 -1.334 43 H ARG 28 H ARG 28 16.697 7.685 -0.318 44 HA ARG 28 HA ARG 28 16.184 10.140 1.122 45 HB2 ARG 28 HB2 ARG 28 16.657 8.373 2.940 46 HB3 ARG 28 HB3 ARG 28 18.256 8.147 2.276 47 HG2 ARG 28 HG2 ARG 28 17.252 10.831 3.279 48 HG3 ARG 28 HG3 ARG 28 17.894 9.629 4.374 49 HD2 ARG 28 HD2 ARG 28 19.443 10.863 2.077 50 HD3 ARG 28 HD3 ARG 28 19.473 11.423 3.744 51 HE ARG 28 HE ARG 28 20.117 8.807 4.081 52 HH11 ARG 28 HH11 ARG 28 21.559 11.133 1.847 53 HH12 ARG 28 HH12 ARG 28 23.144 10.437 2.059 54 HH21 ARG 28 HH21 ARG 28 22.143 7.950 4.200 55 HH22 ARG 28 HH22 ARG 28 23.452 8.666 3.310 56 HA PRO 29 HA PRO 29 19.344 10.669 -2.055 57 HB2 PRO 29 HB2 PRO 29 19.105 13.297 -2.515 58 HB3 PRO 29 HB3 PRO 29 17.659 12.249 -2.588 59 HG2 PRO 29 HG2 PRO 29 18.614 13.945 -0.242 60 HG3 PRO 29 HG3 PRO 29 17.011 13.941 -1.015 61 HD2 PRO 29 HD2 PRO 29 17.721 12.419 1.235 62 HD3 PRO 29 HD3 PRO 29 16.445 11.929 0.087 63 H LYS 30 H LYS 30 21.179 12.009 -2.742 64 HA LYS 30 HA LYS 30 23.055 12.899 -0.581 65 HB2 LYS 30 HB2 LYS 30 23.799 11.127 -2.239 66 HB3 LYS 30 HB3 LYS 30 23.601 12.314 -3.533 67 HG2 LYS 30 HG2 LYS 30 25.312 13.771 -2.371 68 HG3 LYS 30 HG3 LYS 30 25.511 12.503 -1.153 69 HD2 LYS 30 HD2 LYS 30 26.322 10.957 -2.894 70 HD3 LYS 30 HD3 LYS 30 26.004 12.180 -4.150 71 HE2 LYS 30 HE2 LYS 30 27.608 13.733 -3.055 72 HE3 LYS 30 HE3 LYS 30 27.922 12.534 -1.796 73 HZ1 LYS 30 HZ1 LYS 30 28.524 12.149 -4.689 74 HZ2 LYS 30 HZ2 LYS 30 29.627 12.455 -3.529 75 HZ3 LYS 30 HZ3 LYS 30 28.812 11.045 -3.519 76 H LEU 31 H LEU 31 24.143 15.025 -1.012 77 HA LEU 31 HA LEU 31 22.401 17.096 -1.236 78 HB2 LEU 31 HB2 LEU 31 24.531 17.249 -0.189 79 HB3 LEU 31 HB3 LEU 31 25.395 16.980 -1.690 80 HG LEU 31 HG LEU 31 24.603 19.152 -2.553 81 HD11 LEU 31 HD11 LEU 31 22.507 19.458 -1.288 82 HD12 LEU 31 HD12 LEU 31 23.417 19.501 0.239 83 HD13 LEU 31 HD13 LEU 31 23.607 20.800 -0.957 84 HD21 LEU 31 HD21 LEU 31 25.956 19.306 0.170 85 HD22 LEU 31 HD22 LEU 31 26.762 18.974 -1.380 86 HD23 LEU 31 HD23 LEU 31 26.011 20.552 -1.098 87 HA PRO 32 HA PRO 32 23.167 18.053 -5.887 88 HB2 PRO 32 HB2 PRO 32 23.875 15.346 -6.997 89 HB3 PRO 32 HB3 PRO 32 24.457 16.963 -7.501 90 HG2 PRO 32 HG2 PRO 32 26.063 15.349 -6.047 91 HG3 PRO 32 HG3 PRO 32 25.941 17.091 -5.620 92 HD2 PRO 32 HD2 PRO 32 24.442 14.756 -4.387 93 HD3 PRO 32 HD3 PRO 32 25.392 16.031 -3.572 94 H LEU 33 H LEU 33 21.811 14.925 -4.891 95 HA LEU 33 HA LEU 33 19.603 15.134 -6.841 96 HB2 LEU 33 HB2 LEU 33 20.090 13.107 -4.636 97 HB3 LEU 33 HB3 LEU 33 18.879 13.011 -5.911 98 HG LEU 33 HG LEU 33 21.904 12.836 -6.223 99 HD11 LEU 33 HD11 LEU 33 20.771 10.805 -5.410 100 HD12 LEU 33 HD12 LEU 33 19.671 10.852 -6.805 101 HD13 LEU 33 HD13 LEU 33 21.412 10.580 -7.045 102 HD21 LEU 33 HD21 LEU 33 21.144 14.041 -8.179 103 HD22 LEU 33 HD22 LEU 33 21.440 12.367 -8.647 104 HD23 LEU 33 HD23 LEU 33 19.774 12.935 -8.396 105 H LEU 34 H LEU 34 20.136 15.668 -3.370 106 HA LEU 34 HA LEU 34 17.440 16.357 -2.677 107 HB2 LEU 34 HB2 LEU 34 19.218 15.923 -1.061 108 HB3 LEU 34 HB3 LEU 34 20.135 17.301 -1.598 109 HG LEU 34 HG LEU 34 17.347 17.802 -0.459 110 HD11 LEU 34 HD11 LEU 34 19.876 17.292 1.165 111 HD12 LEU 34 HD12 LEU 34 18.330 17.910 1.791 112 HD13 LEU 34 HD13 LEU 34 18.422 16.268 1.142 113 HD21 LEU 34 HD21 LEU 34 20.023 19.298 -0.356 114 HD22 LEU 34 HD22 LEU 34 18.618 19.746 -1.347 115 HD23 LEU 34 HD23 LEU 34 18.518 19.831 0.407 116 H LYS 35 H LYS 35 20.028 18.256 -4.231 117 HA LYS 35 HA LYS 35 18.889 20.817 -4.198 118 HB2 LYS 35 HB2 LYS 35 21.137 19.661 -5.328 119 HB3 LYS 35 HB3 LYS 35 20.178 19.931 -6.770 120 HG2 LYS 35 HG2 LYS 35 21.394 21.921 -6.583 121 HG3 LYS 35 HG3 LYS 35 19.847 22.350 -5.863 122 HD2 LYS 35 HD2 LYS 35 21.407 23.208 -4.307 123 HD3 LYS 35 HD3 LYS 35 20.913 21.676 -3.587 124 HE2 LYS 35 HE2 LYS 35 23.252 21.796 -3.306 125 HE3 LYS 35 HE3 LYS 35 22.979 20.599 -4.572 126 HZ1 LYS 35 HZ1 LYS 35 23.571 22.337 -6.219 127 HZ2 LYS 35 HZ2 LYS 35 23.777 23.442 -5.031 128 HZ3 LYS 35 HZ3 LYS 35 24.780 22.165 -5.141 129 H ILE 36 H ILE 36 18.186 18.174 -6.391 130 HA ILE 36 HA ILE 36 16.550 19.556 -8.279 131 HB ILE 36 HB ILE 36 16.485 16.597 -7.529 132 HG12 ILE 36 HG12 ILE 36 18.218 17.966 -9.627 133 HG13 ILE 36 HG13 ILE 36 18.810 17.481 -8.053 134 HG21 ILE 36 HG21 ILE 36 15.693 16.222 -9.816 135 HG22 ILE 36 HG22 ILE 36 14.601 17.337 -9.002 136 HG23 ILE 36 HG23 ILE 36 15.791 17.957 -10.167 137 HD11 ILE 36 HD11 ILE 36 17.899 15.612 -10.227 138 HD12 ILE 36 HD12 ILE 36 19.506 15.791 -9.466 139 HD13 ILE 36 HD13 ILE 36 18.163 15.116 -8.531 140 H LEU 37 H LEU 37 15.643 17.469 -5.479 141 HA LEU 37 HA LEU 37 12.863 18.266 -5.677 142 HB2 LEU 37 HB2 LEU 37 14.471 16.521 -3.798 143 HB3 LEU 37 HB3 LEU 37 12.929 17.103 -3.291 144 HG LEU 37 HG LEU 37 12.471 15.005 -4.115 145 HD11 LEU 37 HD11 LEU 37 10.977 16.884 -4.965 146 HD12 LEU 37 HD12 LEU 37 11.717 16.618 -6.552 147 HD13 LEU 37 HD13 LEU 37 10.849 15.296 -5.747 148 HD21 LEU 37 HD21 LEU 37 13.833 15.568 -6.758 149 HD22 LEU 37 HD22 LEU 37 14.540 14.624 -5.427 150 HD23 LEU 37 HD23 LEU 37 13.042 14.066 -6.197 151 H HIS 38 H HIS 38 15.567 19.663 -3.868 152 HA HIS 38 HA HIS 38 13.982 21.524 -2.323 153 HB2 HIS 38 HB2 HIS 38 16.851 21.237 -3.100 154 HB3 HIS 38 HB3 HIS 38 16.313 22.881 -2.860 155 HD2 HIS 38 HD2 HIS 38 15.043 19.924 -0.681 156 HE1 HIS 38 HE1 HIS 38 17.173 22.621 1.850 157 HE2 HIS 38 HE2 HIS 38 15.729 20.533 1.803 158 H ALA 39 H ALA 39 15.175 21.716 -5.732 159 HA ALA 39 HA ALA 39 14.202 24.331 -6.222 160 HB1 ALA 39 HB1 ALA 39 15.633 22.953 -7.777 161 HB2 ALA 39 HB2 ALA 39 14.176 22.012 -8.190 162 HB3 ALA 39 HB3 ALA 39 14.246 23.730 -8.569 163 H ALA 40 H ALA 40 12.408 21.416 -5.655 164 HA ALA 40 HA ALA 40 9.842 22.677 -6.435 165 HB1 ALA 40 HB1 ALA 40 10.359 20.544 -7.459 166 HB2 ALA 40 HB2 ALA 40 10.537 19.767 -5.868 167 HB3 ALA 40 HB3 ALA 40 8.960 20.387 -6.400 168 H GLY 41 H GLY 41 11.551 23.087 -3.833 169 HA2 GLY 41 HA2 GLY 41 11.000 23.770 -1.727 170 HA3 GLY 41 HA3 GLY 41 9.298 23.578 -2.148 171 H ALA 42 H ALA 42 11.284 20.686 -2.358 172 HA ALA 42 HA ALA 42 9.749 19.409 -0.246 173 HB1 ALA 42 HB1 ALA 42 10.680 17.412 -1.232 174 HB2 ALA 42 HB2 ALA 42 10.359 18.519 -2.584 175 HB3 ALA 42 HB3 ALA 42 12.007 18.355 -1.945 176 H GLN 43 H GLN 43 11.474 17.532 0.712 177 HA GLN 43 HA GLN 43 13.919 18.847 1.852 178 HB2 GLN 43 HB2 GLN 43 12.171 16.848 3.349 179 HB3 GLN 43 HB3 GLN 43 13.622 17.661 3.925 180 HG2 GLN 43 HG2 GLN 43 11.871 18.758 5.010 181 HG3 GLN 43 HG3 GLN 43 12.363 19.868 3.734 182 HE21 GLN 43 HE22 GLN 43 9.985 17.120 4.214 183 HE22 GLN 43 HE21 GLN 43 8.714 17.923 3.303 184 H GLY 44 H GLY 44 14.276 17.754 -0.465 185 HA2 GLY 44 HA2 GLY 44 15.657 16.276 -1.537 186 HA3 GLY 44 HA3 GLY 44 15.975 15.484 0.014 187 H GLU 45 H GLU 45 15.354 13.421 -0.048 188 HA GLU 45 HA GLU 45 12.831 12.513 -1.306 189 HB2 GLU 45 HB2 GLU 45 15.531 11.301 -1.999 190 HB3 GLU 45 HB3 GLU 45 13.958 10.667 -2.478 191 HG2 GLU 45 HG2 GLU 45 13.506 12.804 -3.702 192 HG3 GLU 45 HG3 GLU 45 15.180 13.288 -3.383 193 H MET 46 H MET 46 13.889 12.832 1.448 194 HA MET 46 HA MET 46 14.585 10.192 2.436 195 HB2 MET 46 HB2 MET 46 15.032 11.237 4.464 196 HB3 MET 46 HB3 MET 46 15.661 12.220 3.125 197 HG2 MET 46 HG2 MET 46 13.779 13.742 3.305 198 HG3 MET 46 HG3 MET 46 13.138 12.829 4.673 199 HE1 MET 46 HE1 MET 46 14.213 15.905 6.677 200 HE2 MET 46 HE2 MET 46 13.252 15.704 5.195 201 HE3 MET 46 HE3 MET 46 13.041 14.574 6.549 202 H PHE 47 H PHE 47 12.282 9.789 1.332 203 HA PHE 47 HA PHE 47 10.318 9.032 3.342 204 HB2 PHE 47 HB2 PHE 47 8.574 10.710 2.440 205 HB3 PHE 47 HB3 PHE 47 9.764 11.204 3.623 206 HD1 PHE 47 HD2 PHE 47 9.464 11.027 -0.138 207 HD2 PHE 47 HD1 PHE 47 10.910 13.262 3.254 208 HE1 PHE 47 HE2 PHE 47 10.107 12.900 -1.627 209 HE2 PHE 47 HE1 PHE 47 11.734 15.015 1.750 210 HZ PHE 47 HZ PHE 47 11.194 14.920 -0.684 211 H THR 48 H THR 48 8.139 8.500 2.288 212 HA THR 48 HA THR 48 8.602 6.335 0.574 213 HB THR 48 HB THR 48 5.798 7.362 0.890 214 HG1 THR 48 HG1 THR 48 5.803 6.823 3.093 215 HG21 THR 48 HG21 THR 48 6.145 5.031 0.122 216 HG22 THR 48 HG22 THR 48 7.143 4.698 1.559 217 HG23 THR 48 HG23 THR 48 5.412 5.048 1.723 218 H VAL 49 H VAL 49 7.341 5.712 -1.323 219 HA VAL 49 HA VAL 49 7.972 7.116 -3.628 220 HB VAL 49 HB VAL 49 5.662 5.161 -3.226 221 HG11 VAL 49 HG11 VAL 49 6.057 4.657 -5.676 222 HG12 VAL 49 HG12 VAL 49 5.298 6.213 -5.347 223 HG13 VAL 49 HG13 VAL 49 7.017 6.153 -5.757 224 HG21 VAL 49 HG21 VAL 49 7.336 3.511 -4.131 225 HG22 VAL 49 HG22 VAL 49 8.594 4.745 -3.877 226 HG23 VAL 49 HG23 VAL 49 7.671 4.103 -2.508 227 H LYS 50 H LYS 50 4.852 7.181 -1.905 228 HA LYS 50 HA LYS 50 3.595 8.991 -3.712 229 HB2 LYS 50 HB2 LYS 50 1.863 9.255 -1.965 230 HB3 LYS 50 HB3 LYS 50 2.282 7.563 -2.236 231 HG2 LYS 50 HG2 LYS 50 3.713 7.578 -0.205 232 HG3 LYS 50 HG3 LYS 50 3.317 9.284 0.067 233 HD2 LYS 50 HD2 LYS 50 0.954 8.721 0.389 234 HD3 LYS 50 HD3 LYS 50 1.285 7.011 0.022 235 HE2 LYS 50 HE2 LYS 50 2.810 6.861 1.957 236 HE3 LYS 50 HE3 LYS 50 2.578 8.575 2.307 237 HZ1 LYS 50 HZ1 LYS 50 1.152 7.183 3.713 238 HZ2 LYS 50 HZ2 LYS 50 0.214 8.098 2.743 239 HZ3 LYS 50 HZ3 LYS 50 0.428 6.511 2.415 240 H GLU 51 H GLU 51 5.773 9.682 -1.092 241 HA GLU 51 HA GLU 51 5.126 12.557 -1.102 242 HB2 GLU 51 HB2 GLU 51 7.308 10.966 0.297 243 HB3 GLU 51 HB3 GLU 51 7.048 12.702 0.481 244 HG2 GLU 51 HG2 GLU 51 5.103 10.484 1.247 245 HG3 GLU 51 HG3 GLU 51 6.119 11.398 2.345 246 H VAL 52 H VAL 52 7.937 10.512 -2.265 247 HA VAL 52 HA VAL 52 9.345 12.711 -3.560 248 HB VAL 52 HB VAL 52 10.248 11.130 -5.093 249 HG11 VAL 52 HG11 VAL 52 11.567 9.825 -3.478 250 HG12 VAL 52 HG12 VAL 52 11.318 11.468 -2.891 251 HG13 VAL 52 HG13 VAL 52 10.355 10.115 -2.222 252 HG21 VAL 52 HG21 VAL 52 8.504 9.413 -5.370 253 HG22 VAL 52 HG22 VAL 52 10.023 8.716 -4.835 254 HG23 VAL 52 HG23 VAL 52 8.737 8.982 -3.647 255 H MET 53 H MET 53 6.833 10.616 -4.858 256 HA MET 53 HA MET 53 6.830 11.947 -7.403 257 HB2 MET 53 HB2 MET 53 5.213 10.503 -8.101 258 HB3 MET 53 HB3 MET 53 6.048 9.583 -6.860 259 HG2 MET 53 HG2 MET 53 4.238 10.289 -5.249 260 HG3 MET 53 HG3 MET 53 3.364 10.997 -6.604 261 HE1 MET 53 HE1 MET 53 2.439 7.904 -8.796 262 HE2 MET 53 HE2 MET 53 2.502 9.677 -8.673 263 HE3 MET 53 HE3 MET 53 3.988 8.746 -8.971 264 H HIS 54 H HIS 54 5.037 12.679 -4.454 265 HA HIS 54 HA HIS 54 3.205 14.640 -5.517 266 HB2 HIS 54 HB2 HIS 54 2.674 14.018 -3.342 267 HB3 HIS 54 HB3 HIS 54 4.338 13.889 -2.848 268 HD2 HIS 54 HD2 HIS 54 5.187 15.626 -1.249 269 HE1 HIS 54 HE1 HIS 54 2.887 18.985 -2.482 270 HE2 HIS 54 HE2 HIS 54 4.658 18.168 -0.848 271 H TYR 55 H TYR 55 6.336 15.225 -3.790 272 HA TYR 55 HA TYR 55 6.725 17.820 -4.641 273 HB2 TYR 55 HB2 TYR 55 8.881 15.750 -4.188 274 HB3 TYR 55 HB3 TYR 55 9.062 17.505 -4.169 275 HD1 TYR 55 HD1 TYR 55 7.519 18.809 -2.451 276 HD2 TYR 55 HD2 TYR 55 8.718 14.700 -2.111 277 HE1 TYR 55 HE1 TYR 55 7.097 18.904 0.004 278 HE2 TYR 55 HE2 TYR 55 8.263 14.773 0.342 279 HH TYR 55 HH TYR 55 7.529 16.033 2.110 280 H LEU 56 H LEU 56 7.545 14.868 -6.571 281 HA LEU 56 HA LEU 56 8.806 16.402 -8.666 282 HB2 LEU 56 HB2 LEU 56 7.704 13.591 -8.561 283 HB3 LEU 56 HB3 LEU 56 8.333 14.276 -10.050 284 HG LEU 56 HG LEU 56 9.960 14.018 -7.489 285 HD11 LEU 56 HD11 LEU 56 9.414 11.840 -8.453 286 HD12 LEU 56 HD12 LEU 56 10.002 12.372 -10.048 287 HD13 LEU 56 HD13 LEU 56 11.129 12.211 -8.681 288 HD21 LEU 56 HD21 LEU 56 10.857 15.838 -8.822 289 HD22 LEU 56 HD22 LEU 56 11.889 14.431 -9.045 290 HD23 LEU 56 HD23 LEU 56 10.713 14.874 -10.307 291 H GLY 57 H GLY 57 5.357 15.456 -8.253 292 HA2 GLY 57 HA2 GLY 57 4.412 16.339 -10.782 293 HA3 GLY 57 HA3 GLY 57 3.512 16.423 -9.261 294 H GLN 58 H GLN 58 4.861 18.235 -7.752 295 HA GLN 58 HA GLN 58 4.385 20.749 -9.090 296 HB2 GLN 58 HB2 GLN 58 4.944 21.859 -7.043 297 HB3 GLN 58 HB3 GLN 58 3.795 20.542 -6.819 298 HG2 GLN 58 HG2 GLN 58 5.714 19.111 -6.027 299 HG3 GLN 58 HG3 GLN 58 6.743 20.547 -6.079 300 HE21 GLN 58 HE22 GLN 58 7.152 20.620 -3.777 301 HE22 GLN 58 HE21 GLN 58 5.847 20.799 -2.622 302 H TYR 59 H TYR 59 7.454 18.947 -8.517 303 HA TYR 59 HA TYR 59 9.231 20.964 -9.443 304 HB2 TYR 59 HB2 TYR 59 9.952 18.684 -8.621 305 HB3 TYR 59 HB3 TYR 59 9.360 17.993 -10.110 306 HD1 TYR 59 HD1 TYR 59 10.461 18.437 -12.303 307 HD2 TYR 59 HD2 TYR 59 12.101 19.891 -8.583 308 HE1 TYR 59 HE1 TYR 59 12.680 18.742 -13.391 309 HE2 TYR 59 HE2 TYR 59 14.292 20.219 -9.693 310 HH TYR 59 HH TYR 59 14.942 19.236 -13.051 311 H ILE 60 H ILE 60 7.470 18.511 -11.408 312 HA ILE 60 HA ILE 60 8.246 19.483 -13.981 313 HB ILE 60 HB ILE 60 5.710 18.061 -13.086 314 HG12 ILE 60 HG12 ILE 60 8.048 16.709 -14.474 315 HG13 ILE 60 HG13 ILE 60 8.073 16.919 -12.736 316 HG21 ILE 60 HG21 ILE 60 6.879 18.455 -15.877 317 HG22 ILE 60 HG22 ILE 60 5.586 17.300 -15.498 318 HG23 ILE 60 HG23 ILE 60 5.303 19.018 -15.278 319 HD11 ILE 60 HD11 ILE 60 5.826 15.799 -12.573 320 HD12 ILE 60 HD12 ILE 60 5.948 15.406 -14.299 321 HD13 ILE 60 HD13 ILE 60 7.136 14.758 -13.151 322 H MET 61 H MET 61 5.395 20.326 -11.935 323 HA MET 61 HA MET 61 4.308 22.173 -13.805 324 HB2 MET 61 HB2 MET 61 3.166 21.030 -11.881 325 HB3 MET 61 HB3 MET 61 3.967 22.161 -10.790 326 HG2 MET 61 HG2 MET 61 1.640 22.803 -11.318 327 HG3 MET 61 HG3 MET 61 2.809 24.040 -11.753 328 HE1 MET 61 HE1 MET 61 0.610 21.064 -13.189 329 HE2 MET 61 HE2 MET 61 0.713 21.352 -14.939 330 HE3 MET 61 HE3 MET 61 2.143 20.794 -14.052 331 H VAL 62 H VAL 62 6.813 22.709 -11.325 332 HA VAL 62 HA VAL 62 6.932 25.604 -11.717 333 HB VAL 62 HB VAL 62 8.695 23.641 -10.308 334 HG11 VAL 62 HG11 VAL 62 9.086 26.656 -10.508 335 HG12 VAL 62 HG12 VAL 62 9.901 25.598 -9.337 336 HG13 VAL 62 HG13 VAL 62 10.223 25.401 -11.057 337 HG21 VAL 62 HG21 VAL 62 6.991 25.954 -9.289 338 HG22 VAL 62 HG22 VAL 62 6.496 24.254 -9.265 339 HG23 VAL 62 HG23 VAL 62 7.884 24.775 -8.301 340 H LYS 63 H LYS 63 9.028 22.874 -12.739 341 HA LYS 63 HA LYS 63 10.698 24.459 -14.496 342 HB2 LYS 63 HB2 LYS 63 10.510 21.655 -13.664 343 HB3 LYS 63 HB3 LYS 63 10.617 21.728 -15.406 344 HG2 LYS 63 HG2 LYS 63 12.828 21.554 -14.596 345 HG3 LYS 63 HG3 LYS 63 12.640 23.213 -15.180 346 HD2 LYS 63 HD2 LYS 63 12.186 23.903 -12.764 347 HD3 LYS 63 HD3 LYS 63 12.597 22.262 -12.269 348 HE2 LYS 63 HE2 LYS 63 14.429 24.177 -13.804 349 HE3 LYS 63 HE3 LYS 63 14.463 23.943 -12.057 350 HZ1 LYS 63 HZ1 LYS 63 16.160 22.600 -13.100 351 HZ2 LYS 63 HZ2 LYS 63 15.052 21.582 -12.463 352 HZ3 LYS 63 HZ3 LYS 63 15.106 21.831 -14.082 353 H GLN 64 H GLN 64 7.530 23.223 -14.919 354 HA GLN 64 HA GLN 64 6.050 23.223 -16.563 355 HB2 GLN 64 HB2 GLN 64 5.618 25.368 -17.600 356 HB3 GLN 64 HB3 GLN 64 5.985 25.462 -15.888 357 HG2 GLN 64 HG2 GLN 64 8.407 26.105 -16.628 358 HG3 GLN 64 HG3 GLN 64 7.701 26.373 -18.220 359 HE21 GLN 64 HE22 GLN 64 7.668 27.334 -14.768 360 HE22 GLN 64 HE21 GLN 64 6.941 28.917 -15.051 361 H LEU 65 H LEU 65 7.901 21.547 -17.190 362 HA LEU 65 HA LEU 65 8.776 21.976 -19.963 363 HB2 LEU 65 HB2 LEU 65 10.298 21.483 -17.974 364 HB3 LEU 65 HB3 LEU 65 9.675 19.841 -17.992 365 HG LEU 65 HG LEU 65 10.702 19.457 -20.194 366 HD11 LEU 65 HD11 LEU 65 12.170 21.190 -21.231 367 HD12 LEU 65 HD12 LEU 65 10.458 21.596 -21.310 368 HD13 LEU 65 HD13 LEU 65 11.501 22.390 -20.103 369 HD21 LEU 65 HD21 LEU 65 12.100 19.277 -18.120 370 HD22 LEU 65 HD22 LEU 65 13.054 19.702 -19.559 371 HD23 LEU 65 HD23 LEU 65 12.637 20.948 -18.365 372 H TYR 66 H TYR 66 6.011 21.136 -19.166 373 HA TYR 66 HA TYR 66 5.660 18.568 -20.605 374 HB2 TYR 66 HB2 TYR 66 3.265 18.890 -19.927 375 HB3 TYR 66 HB3 TYR 66 4.391 18.713 -18.596 376 HD1 TYR 66 HD1 TYR 66 2.413 21.228 -20.536 377 HD2 TYR 66 HD2 TYR 66 4.675 20.425 -16.961 378 HE1 TYR 66 HE1 TYR 66 1.683 23.414 -19.592 379 HE2 TYR 66 HE2 TYR 66 3.887 22.597 -15.985 380 HH TYR 66 HH TYR 66 1.779 24.852 -17.799 381 H ASP 67 H ASP 67 3.841 18.538 -22.265 382 HA ASP 67 HA ASP 67 4.409 20.592 -24.269 383 HB2 ASP 67 HB2 ASP 67 4.012 18.087 -24.690 384 HB3 ASP 67 HB3 ASP 67 2.299 18.452 -24.511 385 H GLN 68 H GLN 68 3.233 22.329 -24.797 386 HA GLN 68 HA GLN 68 1.139 23.511 -23.390 387 HB2 GLN 68 HB2 GLN 68 1.217 23.792 -26.403 388 HB3 GLN 68 HB3 GLN 68 0.891 24.985 -25.171 389 HG2 GLN 68 HG2 GLN 68 2.932 25.740 -25.591 390 HG3 GLN 68 HG3 GLN 68 3.549 24.412 -24.628 391 HE21 GLN 68 HE22 GLN 68 3.110 22.173 -26.726 392 HE22 GLN 68 HE21 GLN 68 4.231 22.646 -27.971 393 H GLN 69 H GLN 69 0.904 21.116 -26.028 394 HA GLN 69 HA GLN 69 -2.025 21.353 -26.214 395 HB2 GLN 69 HB2 GLN 69 -0.154 19.519 -27.737 396 HB3 GLN 69 HB3 GLN 69 -1.801 19.967 -28.159 397 HG2 GLN 69 HG2 GLN 69 0.675 21.735 -28.242 398 HG3 GLN 69 HG3 GLN 69 -0.247 21.138 -29.606 399 HE21 GLN 69 HE22 GLN 69 0.399 23.931 -29.066 400 HE22 GLN 69 HE21 GLN 69 -1.132 24.755 -28.823 401 H GLU 70 H GLU 70 0.225 19.381 -24.526 402 HA GLU 70 HA GLU 70 -1.948 17.805 -23.385 403 HB2 GLU 70 HB2 GLU 70 -0.629 15.627 -23.765 404 HB3 GLU 70 HB3 GLU 70 -1.735 16.229 -24.988 405 HG2 GLU 70 HG2 GLU 70 0.190 17.185 -26.278 406 HG3 GLU 70 HG3 GLU 70 1.295 16.481 -25.092 407 H GLN 71 H GLN 71 -1.471 18.868 -21.553 408 HA GLN 71 HA GLN 71 0.951 19.005 -20.133 409 HB2 GLN 71 HB2 GLN 71 -1.947 18.764 -19.201 410 HB3 GLN 71 HB3 GLN 71 -0.601 19.077 -18.119 411 HG2 GLN 71 HG2 GLN 71 -1.640 21.182 -18.600 412 HG3 GLN 71 HG3 GLN 71 -0.046 21.151 -19.332 413 HE21 GLN 71 HE22 GLN 71 -0.610 22.858 -20.836 414 HE22 GLN 71 HE21 GLN 71 -1.620 22.485 -22.225 415 H HIS 72 H HIS 72 -0.981 16.200 -20.789 416 HA HIS 72 HA HIS 72 -0.167 14.556 -18.614 417 HB2 HIS 72 HB2 HIS 72 -1.643 13.138 -19.518 418 HB3 HIS 72 HB3 HIS 72 -1.978 14.344 -20.730 419 HD2 HIS 72 HD2 HIS 72 -0.672 10.858 -20.339 420 HE1 HIS 72 HE1 HIS 72 0.542 11.981 -24.269 421 HE2 HIS 72 HE2 HIS 72 0.306 10.031 -22.648 422 H MET 73 H MET 73 1.511 15.562 -21.475 423 HA MET 73 HA MET 73 3.563 13.428 -21.293 424 HB2 MET 73 HB2 MET 73 2.485 13.797 -23.471 425 HB3 MET 73 HB3 MET 73 2.968 15.498 -23.440 426 HG2 MET 73 HG2 MET 73 4.450 14.210 -24.868 427 HG3 MET 73 HG3 MET 73 5.337 14.852 -23.491 428 HE1 MET 73 HE1 MET 73 7.271 11.565 -24.198 429 HE2 MET 73 HE2 MET 73 6.554 12.683 -25.379 430 HE3 MET 73 HE3 MET 73 7.364 13.322 -23.931 431 H VAL 74 H VAL 74 5.612 13.856 -20.643 432 HA VAL 74 HA VAL 74 6.339 16.648 -19.827 433 HB VAL 74 HB VAL 74 6.853 14.043 -18.335 434 HG11 VAL 74 HG11 VAL 74 7.480 16.944 -17.646 435 HG12 VAL 74 HG12 VAL 74 7.596 15.573 -16.516 436 HG13 VAL 74 HG13 VAL 74 8.647 15.631 -17.922 437 HG21 VAL 74 HG21 VAL 74 4.927 16.330 -17.736 438 HG22 VAL 74 HG22 VAL 74 4.482 14.660 -18.147 439 HG23 VAL 74 HG23 VAL 74 5.312 14.987 -16.631 440 H TYR 75 H TYR 75 8.270 17.346 -20.541 441 HA TYR 75 HA TYR 75 10.263 15.425 -21.636 442 HB2 TYR 75 HB2 TYR 75 9.886 18.391 -22.121 443 HB3 TYR 75 HB3 TYR 75 11.241 17.436 -22.707 444 HD1 TYR 75 HD2 TYR 75 10.788 15.342 -24.067 445 HD2 TYR 75 HD1 TYR 75 7.786 18.353 -23.333 446 HE1 TYR 75 HE2 TYR 75 9.375 14.357 -25.835 447 HE2 TYR 75 HE1 TYR 75 6.395 17.412 -25.173 448 HH TYR 75 HH TYR 75 6.213 15.788 -26.804 449 H CYS 76 H CYS 76 12.510 15.922 -21.188 450 HA CYS 76 HA CYS 76 13.240 17.380 -18.701 451 HB2 CYS 76 HB2 CYS 76 13.080 14.423 -19.106 452 HB3 CYS 76 HB3 CYS 76 14.502 15.025 -18.249 453 HG CYS 76 HG CYS 76 11.401 15.985 -17.618 454 H GLY 77 H GLY 77 13.862 17.706 -21.647 455 HA2 GLY 77 HA2 GLY 77 16.361 16.582 -22.269 456 HA3 GLY 77 HA3 GLY 77 15.680 18.016 -23.042 457 H GLY 78 H GLY 78 18.262 16.867 -21.342 458 HA2 GLY 78 HA2 GLY 78 20.119 17.799 -20.397 459 HA3 GLY 78 HA3 GLY 78 19.538 19.397 -20.867 460 H ASP 79 H ASP 79 17.313 17.605 -18.743 461 HA ASP 79 HA ASP 79 17.960 19.558 -16.628 462 HB2 ASP 79 HB2 ASP 79 15.656 19.363 -17.650 463 HB3 ASP 79 HB3 ASP 79 15.528 17.772 -16.894 464 H LEU 80 H LEU 80 18.231 18.967 -14.475 465 HA LEU 80 HA LEU 80 19.723 16.612 -13.918 466 HB2 LEU 80 HB2 LEU 80 18.367 18.659 -12.141 467 HB3 LEU 80 HB3 LEU 80 19.173 17.220 -11.518 468 HG LEU 80 HG LEU 80 21.301 17.859 -12.555 469 HD11 LEU 80 HD11 LEU 80 20.634 19.324 -14.390 470 HD12 LEU 80 HD12 LEU 80 19.867 20.462 -13.249 471 HD13 LEU 80 HD13 LEU 80 21.629 20.234 -13.259 472 HD21 LEU 80 HD21 LEU 80 21.798 19.664 -10.952 473 HD22 LEU 80 HD22 LEU 80 20.059 19.966 -10.735 474 HD23 LEU 80 HD23 LEU 80 20.777 18.425 -10.213 475 H LEU 81 H LEU 81 16.234 17.155 -13.944 476 HA LEU 81 HA LEU 81 15.546 14.733 -12.523 477 HB2 LEU 81 HB2 LEU 81 14.017 16.655 -12.817 478 HB3 LEU 81 HB3 LEU 81 13.992 16.377 -14.562 479 HG LEU 81 HG LEU 81 12.905 14.162 -14.188 480 HD11 LEU 81 HD11 LEU 81 13.823 13.574 -11.976 481 HD12 LEU 81 HD12 LEU 81 12.981 14.945 -11.241 482 HD13 LEU 81 HD13 LEU 81 12.063 13.573 -11.917 483 HD21 LEU 81 HD21 LEU 81 10.738 14.926 -13.459 484 HD22 LEU 81 HD22 LEU 81 11.451 16.296 -12.593 485 HD23 LEU 81 HD23 LEU 81 11.497 16.245 -14.369 486 H GLY 82 H GLY 82 16.191 15.462 -15.971 487 HA2 GLY 82 HA2 GLY 82 15.559 12.803 -17.001 488 HA3 GLY 82 HA3 GLY 82 16.537 14.046 -17.791 489 H GLU 83 H GLU 83 18.560 14.379 -15.678 490 HA GLU 83 HA GLU 83 20.265 12.131 -16.113 491 HB2 GLU 83 HB2 GLU 83 21.101 14.340 -15.831 492 HB3 GLU 83 HB3 GLU 83 20.208 14.572 -14.323 493 HG2 GLU 83 HG2 GLU 83 21.522 13.043 -13.153 494 HG3 GLU 83 HG3 GLU 83 22.336 12.489 -14.632 495 H LEU 84 H LEU 84 18.130 13.048 -13.360 496 HA LEU 84 HA LEU 84 18.882 10.911 -11.638 497 HB2 LEU 84 HB2 LEU 84 17.804 12.929 -10.841 498 HB3 LEU 84 HB3 LEU 84 16.386 12.632 -11.835 499 HG LEU 84 HG LEU 84 15.772 10.679 -10.480 500 HD11 LEU 84 HD11 LEU 84 17.992 9.929 -9.690 501 HD12 LEU 84 HD12 LEU 84 18.149 11.415 -8.728 502 HD13 LEU 84 HD13 LEU 84 16.895 10.225 -8.337 503 HD21 LEU 84 HD21 LEU 84 14.926 12.913 -9.881 504 HD22 LEU 84 HD22 LEU 84 15.147 11.903 -8.447 505 HD23 LEU 84 HD23 LEU 84 16.332 13.172 -8.823 506 H LEU 85 H LEU 85 16.137 11.183 -13.923 507 HA LEU 85 HA LEU 85 15.212 8.439 -13.440 508 HB2 LEU 85 HB2 LEU 85 14.393 10.771 -15.181 509 HB3 LEU 85 HB3 LEU 85 13.831 9.175 -15.612 510 HG LEU 85 HG LEU 85 12.659 8.859 -13.568 511 HD11 LEU 85 HD11 LEU 85 14.040 9.859 -11.878 512 HD12 LEU 85 HD12 LEU 85 13.867 11.465 -12.618 513 HD13 LEU 85 HD13 LEU 85 12.475 10.677 -11.842 514 HD21 LEU 85 HD21 LEU 85 11.590 10.250 -15.351 515 HD22 LEU 85 HD22 LEU 85 11.001 10.650 -13.730 516 HD23 LEU 85 HD23 LEU 85 12.184 11.707 -14.533 517 H GLY 86 H GLY 86 17.523 9.859 -15.635 518 HA2 GLY 86 HA2 GLY 86 19.030 8.777 -17.028 519 HA3 GLY 86 HA3 GLY 86 18.138 7.260 -16.875 520 H ARG 87 H ARG 87 15.714 9.302 -17.550 521 HA ARG 87 HA ARG 87 15.993 9.234 -20.513 522 HB2 ARG 87 HB2 ARG 87 13.454 8.611 -18.912 523 HB3 ARG 87 HB3 ARG 87 13.598 8.668 -20.660 524 HG2 ARG 87 HG2 ARG 87 13.545 6.415 -20.167 525 HG3 ARG 87 HG3 ARG 87 15.261 6.737 -20.494 526 HD2 ARG 87 HD2 ARG 87 15.816 6.553 -18.183 527 HD3 ARG 87 HD3 ARG 87 14.124 6.715 -17.688 528 HE ARG 87 HE ARG 87 14.413 4.373 -19.295 529 HH11 ARG 87 HH11 ARG 87 15.409 5.498 -16.076 530 HH12 ARG 87 HH12 ARG 87 15.406 3.828 -15.481 531 HH21 ARG 87 HH21 ARG 87 14.526 2.305 -18.325 532 HH22 ARG 87 HH22 ARG 87 14.990 2.224 -16.624 533 H GLN 88 H GLN 88 15.171 10.862 -21.683 534 HA GLN 88 HA GLN 88 14.646 13.334 -20.142 535 HB2 GLN 88 HB2 GLN 88 15.617 12.954 -22.977 536 HB3 GLN 88 HB3 GLN 88 15.311 14.521 -22.190 537 HG2 GLN 88 HG2 GLN 88 16.909 14.007 -20.411 538 HG3 GLN 88 HG3 GLN 88 17.231 12.414 -21.104 539 HE21 GLN 88 HE22 GLN 88 18.203 12.369 -23.390 540 HE22 GLN 88 HE21 GLN 88 19.277 13.699 -23.795 541 H SER 89 H SER 89 12.611 11.160 -21.123 542 HA SER 89 HA SER 89 10.477 13.104 -21.063 543 HB2 SER 89 HB2 SER 89 9.268 12.386 -23.054 544 HB3 SER 89 HB3 SER 89 10.818 13.122 -23.467 545 HG SER 89 HG SER 89 10.488 11.201 -24.676 546 H PHE 90 H PHE 90 8.494 12.300 -20.446 547 HA PHE 90 HA PHE 90 7.843 9.493 -20.330 548 HB2 PHE 90 HB2 PHE 90 7.573 9.300 -17.910 549 HB3 PHE 90 HB3 PHE 90 9.242 9.520 -18.345 550 HD1 PHE 90 HD1 PHE 90 10.467 11.592 -17.747 551 HD2 PHE 90 HD2 PHE 90 6.366 10.962 -16.565 552 HE1 PHE 90 HE1 PHE 90 10.721 13.285 -15.950 553 HE2 PHE 90 HE2 PHE 90 6.626 12.660 -14.776 554 HZ PHE 90 HZ PHE 90 8.829 13.771 -14.415 555 H SER 91 H SER 91 5.589 9.286 -19.097 556 HA SER 91 HA SER 91 4.042 11.812 -19.179 557 HB2 SER 91 HB2 SER 91 2.404 11.043 -20.668 558 HB3 SER 91 HB3 SER 91 3.925 10.600 -21.450 559 HG SER 91 HG SER 91 2.730 8.766 -21.527 560 H VAL 92 H VAL 92 1.781 11.461 -18.298 561 HA VAL 92 HA VAL 92 1.883 9.821 -15.893 562 HB VAL 92 HB VAL 92 -0.370 10.563 -15.418 563 HG11 VAL 92 HG11 VAL 92 0.095 12.919 -15.177 564 HG12 VAL 92 HG12 VAL 92 1.601 12.023 -14.926 565 HG13 VAL 92 HG13 VAL 92 1.319 12.881 -16.456 566 HG21 VAL 92 HG21 VAL 92 -1.349 10.574 -17.686 567 HG22 VAL 92 HG22 VAL 92 -1.542 12.147 -16.898 568 HG23 VAL 92 HG23 VAL 92 -0.289 11.931 -18.136 569 H LYS 93 H LYS 93 1.253 8.925 -19.074 570 HA LYS 93 HA LYS 93 -0.264 6.464 -18.287 571 HB2 LYS 93 HB2 LYS 93 0.484 7.620 -21.005 572 HB3 LYS 93 HB3 LYS 93 -0.288 6.059 -20.778 573 HG2 LYS 93 HG2 LYS 93 -1.511 8.725 -19.945 574 HG3 LYS 93 HG3 LYS 93 -1.860 7.841 -21.432 575 HD2 LYS 93 HD2 LYS 93 -2.645 5.884 -19.998 576 HD3 LYS 93 HD3 LYS 93 -2.424 6.917 -18.582 577 HE2 LYS 93 HE2 LYS 93 -4.721 7.036 -19.088 578 HE3 LYS 93 HE3 LYS 93 -4.031 8.578 -19.593 579 HZ1 LYS 93 HZ1 LYS 93 -4.658 6.300 -21.416 580 HZ2 LYS 93 HZ2 LYS 93 -5.557 7.648 -21.263 581 HZ3 LYS 93 HZ3 LYS 93 -4.063 7.745 -21.903 582 H ASP 94 H ASP 94 2.917 7.572 -19.187 583 HA ASP 94 HA ASP 94 3.991 4.814 -18.797 584 HB2 ASP 94 HB2 ASP 94 3.960 5.494 -21.176 585 HB3 ASP 94 HB3 ASP 94 4.917 6.920 -20.782 586 HA PRO 95 HA PRO 95 6.081 7.853 -15.925 587 HB2 PRO 95 HB2 PRO 95 5.109 7.215 -13.495 588 HB3 PRO 95 HB3 PRO 95 4.127 8.126 -14.679 589 HG2 PRO 95 HG2 PRO 95 4.090 5.126 -14.174 590 HG3 PRO 95 HG3 PRO 95 2.695 6.246 -14.180 591 HD2 PRO 95 HD2 PRO 95 3.405 4.803 -16.395 592 HD3 PRO 95 HD3 PRO 95 2.745 6.464 -16.496 593 H SER 96 H SER 96 6.415 4.648 -16.599 594 HA SER 96 HA SER 96 7.550 3.257 -14.624 595 HB2 SER 96 HB2 SER 96 8.596 3.295 -17.473 596 HB3 SER 96 HB3 SER 96 8.803 1.990 -16.292 597 HG SER 96 HG SER 96 7.005 1.678 -17.755 598 HA PRO 97 HA PRO 97 12.061 5.018 -15.245 599 HB2 PRO 97 HB2 PRO 97 11.219 7.908 -15.573 600 HB3 PRO 97 HB3 PRO 97 12.741 7.114 -16.088 601 HG2 PRO 97 HG2 PRO 97 10.804 7.516 -17.907 602 HG3 PRO 97 HG3 PRO 97 11.570 5.891 -17.823 603 HD2 PRO 97 HD2 PRO 97 8.962 6.811 -16.582 604 HD3 PRO 97 HD3 PRO 97 9.281 5.341 -17.545 605 H LEU 98 H LEU 98 9.439 6.769 -13.571 606 HA LEU 98 HA LEU 98 10.871 7.680 -11.245 607 HB2 LEU 98 HB2 LEU 98 8.563 8.374 -12.002 608 HB3 LEU 98 HB3 LEU 98 7.988 6.749 -11.679 609 HG LEU 98 HG LEU 98 8.702 7.165 -9.214 610 HD11 LEU 98 HD11 LEU 98 8.697 9.476 -8.501 611 HD12 LEU 98 HD12 LEU 98 9.962 9.292 -9.741 612 HD13 LEU 98 HD13 LEU 98 8.414 10.041 -10.167 613 HD21 LEU 98 HD21 LEU 98 6.366 7.016 -9.978 614 HD22 LEU 98 HD22 LEU 98 6.559 8.238 -8.724 615 HD23 LEU 98 HD23 LEU 98 6.390 8.733 -10.428 616 H TYR 99 H TYR 99 8.959 4.738 -11.870 617 HA TYR 99 HA TYR 99 9.580 3.544 -9.334 618 HB2 TYR 99 HB2 TYR 99 8.401 2.293 -11.850 619 HB3 TYR 99 HB3 TYR 99 8.367 1.608 -10.225 620 HD1 TYR 99 HD2 TYR 99 6.997 2.653 -8.425 621 HD2 TYR 99 HD1 TYR 99 6.853 4.093 -12.497 622 HE1 TYR 99 HE2 TYR 99 4.923 3.924 -7.908 623 HE2 TYR 99 HE1 TYR 99 4.806 5.386 -11.956 624 HH TYR 99 HH TYR 99 3.264 5.291 -8.723 625 H ASP 100 H ASP 100 11.034 3.269 -12.574 626 HA ASP 100 HA ASP 100 12.847 1.147 -11.955 627 HB2 ASP 100 HB2 ASP 100 12.239 2.150 -14.215 628 HB3 ASP 100 HB3 ASP 100 13.318 3.484 -13.840 629 H MET 101 H MET 101 12.994 4.642 -11.362 630 HA MET 101 HA MET 101 15.664 4.706 -10.234 631 HB2 MET 101 HB2 MET 101 15.154 6.851 -10.647 632 HB3 MET 101 HB3 MET 101 13.432 6.543 -10.690 633 HG2 MET 101 HG2 MET 101 13.438 6.575 -8.167 634 HG3 MET 101 HG3 MET 101 15.078 7.222 -8.258 635 HE1 MET 101 HE1 MET 101 11.406 9.555 -7.842 636 HE2 MET 101 HE2 MET 101 11.307 7.825 -8.284 637 HE3 MET 101 HE3 MET 101 12.279 8.348 -6.885 638 H LEU 102 H LEU 102 12.415 4.157 -8.837 639 HA LEU 102 HA LEU 102 13.374 4.011 -6.095 640 HB2 LEU 102 HB2 LEU 102 10.721 3.382 -7.425 641 HB3 LEU 102 HB3 LEU 102 10.982 3.277 -5.686 642 HG LEU 102 HG LEU 102 11.595 5.851 -7.170 643 HD11 LEU 102 HD11 LEU 102 9.315 5.376 -7.736 644 HD12 LEU 102 HD12 LEU 102 8.940 4.901 -6.079 645 HD13 LEU 102 HD13 LEU 102 9.318 6.607 -6.462 646 HD21 LEU 102 HD21 LEU 102 11.209 6.836 -4.950 647 HD22 LEU 102 HD22 LEU 102 10.854 5.231 -4.278 648 HD23 LEU 102 HD23 LEU 102 12.479 5.621 -4.875 649 H ARG 103 H ARG 103 12.528 1.450 -8.475 650 HA ARG 103 HA ARG 103 12.517 -0.691 -6.664 651 HB2 ARG 103 HB2 ARG 103 12.701 -2.147 -8.541 652 HB3 ARG 103 HB3 ARG 103 11.695 -0.765 -8.946 653 HG2 ARG 103 HG2 ARG 103 12.878 -1.179 -10.878 654 HG3 ARG 103 HG3 ARG 103 13.623 0.236 -10.161 655 HD2 ARG 103 HD2 ARG 103 15.238 -1.279 -11.219 656 HD3 ARG 103 HD3 ARG 103 15.582 -1.034 -9.517 657 HE ARG 103 HE ARG 103 13.935 -3.393 -9.970 658 HH11 ARG 103 HH11 ARG 103 17.284 -2.367 -10.207 659 HH12 ARG 103 HH12 ARG 103 17.886 -3.976 -9.925 660 HH21 ARG 103 HH21 ARG 103 14.781 -5.417 -9.609 661 HH22 ARG 103 HH22 ARG 103 16.503 -5.654 -9.619 662 H LYS 104 H LYS 104 15.193 0.915 -7.943 663 HA LYS 104 HA LYS 104 17.358 -0.853 -7.188 664 HB2 LYS 104 HB2 LYS 104 17.519 0.970 -8.847 665 HB3 LYS 104 HB3 LYS 104 17.220 2.166 -7.576 666 HG2 LYS 104 HG2 LYS 104 19.345 1.625 -6.496 667 HG3 LYS 104 HG3 LYS 104 19.609 0.273 -7.608 668 HD2 LYS 104 HD2 LYS 104 20.965 2.238 -8.197 669 HD3 LYS 104 HD3 LYS 104 19.843 1.807 -9.495 670 HE2 LYS 104 HE2 LYS 104 18.315 3.612 -8.851 671 HE3 LYS 104 HE3 LYS 104 19.295 3.984 -7.426 672 HZ1 LYS 104 HZ1 LYS 104 19.793 5.511 -9.260 673 HZ2 LYS 104 HZ2 LYS 104 21.119 4.625 -8.925 674 HZ3 LYS 104 HZ3 LYS 104 20.221 4.280 -10.245 675 H ASN 105 H ASN 105 15.483 1.553 -5.378 676 HA ASN 105 HA ASN 105 17.289 1.178 -2.987 677 HB2 ASN 105 HB2 ASN 105 15.506 3.445 -3.850 678 HB3 ASN 105 HB3 ASN 105 16.262 3.309 -2.249 679 HD21 ASN 105 HD22 ASN 105 18.631 3.360 -2.097 680 HD22 ASN 105 HD21 ASN 105 19.544 4.078 -3.412 681 H LEU 106 H LEU 106 13.771 1.448 -3.723 682 HA LEU 106 HA LEU 106 13.103 0.088 -1.175 683 HB2 LEU 106 HB2 LEU 106 12.120 2.374 -2.306 684 HB3 LEU 106 HB3 LEU 106 11.050 1.216 -3.068 685 HG LEU 106 HG LEU 106 11.452 1.721 -0.096 686 HD11 LEU 106 HD11 LEU 106 9.040 2.145 -1.910 687 HD12 LEU 106 HD12 LEU 106 9.154 2.568 -0.187 688 HD13 LEU 106 HD13 LEU 106 10.153 3.427 -1.376 689 HD21 LEU 106 HD21 LEU 106 9.442 0.247 0.240 690 HD22 LEU 106 HD22 LEU 106 9.644 -0.335 -1.423 691 HD23 LEU 106 HD23 LEU 106 10.911 -0.609 -0.194 692 H VAL 107 H VAL 107 12.095 -1.944 -1.223 693 HA VAL 107 HA VAL 107 12.114 -3.515 -3.675 694 HB VAL 107 HB VAL 107 11.278 -5.359 -2.251 695 HG11 VAL 107 HG11 VAL 107 13.702 -3.897 -1.134 696 HG12 VAL 107 HG12 VAL 107 13.330 -5.625 -0.973 697 HG13 VAL 107 HG13 VAL 107 13.681 -4.945 -2.569 698 HG21 VAL 107 HG21 VAL 107 11.169 -5.139 0.164 699 HG22 VAL 107 HG22 VAL 107 11.562 -3.414 0.093 700 HG23 VAL 107 HG23 VAL 107 10.013 -4.006 -0.545 701 H THR 108 H THR 108 10.533 -1.440 -4.235 702 HA THR 108 HA THR 108 7.687 -2.178 -3.845 703 HB THR 108 HB THR 108 8.481 0.092 -3.317 704 HG1 THR 108 HG1 THR 108 6.616 0.998 -4.084 705 HG21 THR 108 HG21 THR 108 8.561 0.544 -6.324 706 HG22 THR 108 HG22 THR 108 8.733 1.770 -5.054 707 HG23 THR 108 HG23 THR 108 9.983 0.529 -5.260 708 H LEU 109 H LEU 109 6.277 -1.499 -5.676 709 HA LEU 109 HA LEU 109 6.871 -3.243 -8.021 710 HB2 LEU 109 HB2 LEU 109 4.328 -2.069 -6.833 711 HB3 LEU 109 HB3 LEU 109 4.348 -2.756 -8.438 712 HG LEU 109 HG LEU 109 3.451 -4.307 -6.840 713 HD11 LEU 109 HD11 LEU 109 4.694 -6.289 -7.453 714 HD12 LEU 109 HD12 LEU 109 4.661 -5.173 -8.827 715 HD13 LEU 109 HD13 LEU 109 6.135 -5.335 -7.843 716 HD21 LEU 109 HD21 LEU 109 4.766 -3.658 -4.826 717 HD22 LEU 109 HD22 LEU 109 4.694 -5.405 -5.110 718 HD23 LEU 109 HD23 LEU 109 6.172 -4.514 -5.508 719 H ALA 110 H ALA 110 6.089 -2.510 -10.169 720 HA ALA 110 HA ALA 110 6.407 0.419 -10.631 721 HB1 ALA 110 HB1 ALA 110 7.792 -0.082 -12.586 722 HB2 ALA 110 HB2 ALA 110 8.562 -0.728 -11.111 723 HB3 ALA 110 HB3 ALA 110 7.698 -1.817 -12.234 724 H THR 111 H THR 111 5.654 1.226 -12.626 725 HA THR 111 HA THR 111 3.720 -0.299 -14.206 726 HB THR 111 HB THR 111 2.648 0.146 -12.029 727 HG1 THR 111 HG1 THR 111 0.708 0.768 -13.022 728 HG21 THR 111 HG21 THR 111 1.740 2.336 -11.468 729 HG22 THR 111 HG22 THR 111 3.504 2.415 -11.524 730 HG23 THR 111 HG23 THR 111 2.544 3.079 -12.864 731 HD1 49H 200 HD1 49H 200 1.785 14.177 -13.086 732 HD2 49H 200 HD2 49H 200 2.247 12.781 -9.034 733 HD3 49H 200 HD3 49H 200 0.587 11.462 -12.789 734 HD4 49H 200 HD4 49H 200 -0.948 11.099 -8.786 735 HD5 49H 200 HD5 49H 200 -2.815 13.563 -14.106 736 HE1 49H 200 HE1 49H 200 4.075 13.407 -13.605 737 HE2 49H 200 HE2 49H 200 4.531 11.999 -9.582 738 HE4 49H 200 HE4 49H 200 -0.314 8.709 -8.761 739 HE5 49H 200 HE5 49H 200 -3.438 14.362 -16.313 740 HE6 49H 200 HE6 49H 200 -0.373 17.332 -16.156 741 HZ2 49H 200 HZ2 49H 200 0.793 7.693 -10.743 742 HM11 49H 200 HM11 49H 200 -3.452 14.992 -18.551 743 HM12 49H 200 HM12 49H 200 -4.356 16.288 -17.707 744 HM13 49H 200 HM13 49H 200 -3.529 16.631 -19.251 745 HM21 49H 200 HM21 49H 200 1.778 15.807 -16.098 746 HM22 49H 200 HM22 49H 200 3.218 16.814 -15.950 747 HM23 49H 200 HM23 49H 200 2.931 15.507 -14.790 748 HM31 49H 200 HM31 49H 200 3.044 17.044 -12.790 749 HM32 49H 200 HM32 49H 200 3.427 18.416 -13.847 750 HM33 49H 200 HM33 49H 200 2.065 18.516 -12.733 751 HN1 49H 200 HN1 49H 200 -3.268 19.970 -12.740 752 H21 49H 200 H21 49H 200 -4.105 17.752 -12.417 753 H22 49H 200 H22 49H 200 -2.684 17.511 -13.450 754 H31 49H 200 H31 49H 200 -2.833 17.249 -10.418 755 H32 49H 200 H32 49H 200 -2.595 15.945 -11.554 756 H41 49H 200 H41 49H 200 0.327 18.994 -11.337 757 H42 49H 200 H42 49H 200 -0.711 18.885 -9.899 758 H7 49H 200 H7 49H 200 -1.407 13.063 -10.020 759 H8 49H 200 H8 49H 200 0.428 14.298 -9.598 760 H9 49H 200 H9 49H 200 1.288 18.106 -15.071 Start of MODEL 12 1 H1 GLN 23 H GLN 23 16.302 6.467 8.764 2 HA GLN 23 HA GLN 23 15.826 4.416 9.789 3 HB2 GLN 23 HB2 GLN 23 13.977 6.394 11.203 4 HB3 GLN 23 HB3 GLN 23 14.583 4.884 11.896 5 HG2 GLN 23 HG2 GLN 23 16.921 5.730 11.688 6 HG3 GLN 23 HG3 GLN 23 16.294 7.278 11.104 7 HE21 GLN 23 HE22 GLN 23 14.822 8.522 12.631 8 HE22 GLN 23 HE21 GLN 23 15.091 8.301 14.355 9 H ILE 24 H ILE 24 14.125 4.830 7.459 10 HA ILE 24 HA ILE 24 11.852 2.981 7.999 11 HB ILE 24 HB ILE 24 10.562 4.472 6.411 12 HG12 ILE 24 HG12 ILE 24 12.651 6.568 7.172 13 HG13 ILE 24 HG13 ILE 24 12.372 5.898 5.565 14 HG21 ILE 24 HG21 ILE 24 11.105 5.688 9.130 15 HG22 ILE 24 HG22 ILE 24 9.617 5.803 8.153 16 HG23 ILE 24 HG23 ILE 24 10.099 4.248 8.831 17 HD11 ILE 24 HD11 ILE 24 10.007 6.896 5.718 18 HD12 ILE 24 HD12 ILE 24 10.569 7.740 7.174 19 HD13 ILE 24 HD13 ILE 24 11.355 8.050 5.619 20 H ASN 25 H ASN 25 10.785 2.264 6.020 21 HA ASN 25 HA ASN 25 12.767 1.029 4.365 22 HB2 ASN 25 HB2 ASN 25 9.749 0.725 4.258 23 HB3 ASN 25 HB3 ASN 25 10.962 -0.430 3.692 24 HD21 ASN 25 HD22 ASN 25 12.647 -0.990 5.668 25 HD22 ASN 25 HD21 ASN 25 11.826 -1.318 7.185 26 H GLN 26 H GLN 26 12.806 3.651 3.749 27 HA GLN 26 HA GLN 26 11.569 4.036 1.043 28 HB2 GLN 26 HB2 GLN 26 11.878 6.294 3.034 29 HB3 GLN 26 HB3 GLN 26 10.841 6.166 1.612 30 HG2 GLN 26 HG2 GLN 26 10.484 4.806 4.280 31 HG3 GLN 26 HG3 GLN 26 9.483 6.086 3.639 32 HE21 GLN 26 HE22 GLN 26 8.555 3.473 4.558 33 HE22 GLN 26 HE21 GLN 26 7.957 2.607 3.152 34 H VAL 27 H VAL 27 12.503 6.421 0.344 35 HA VAL 27 HA VAL 27 15.344 5.841 -0.231 36 HB VAL 27 HB VAL 27 14.604 8.289 -1.456 37 HG11 VAL 27 HG11 VAL 27 15.003 7.209 -3.515 38 HG12 VAL 27 HG12 VAL 27 16.139 6.522 -2.346 39 HG13 VAL 27 HG13 VAL 27 14.679 5.612 -2.828 40 HG21 VAL 27 HG21 VAL 27 12.434 6.226 -1.987 41 HG22 VAL 27 HG22 VAL 27 12.226 7.819 -1.199 42 HG23 VAL 27 HG23 VAL 27 12.726 7.725 -2.886 43 H ARG 28 H ARG 28 16.822 7.792 -0.339 44 HA ARG 28 HA ARG 28 16.395 10.074 1.328 45 HB2 ARG 28 HB2 ARG 28 16.965 8.228 3.020 46 HB3 ARG 28 HB3 ARG 28 18.511 8.004 2.235 47 HG2 ARG 28 HG2 ARG 28 17.567 10.411 3.823 48 HG3 ARG 28 HG3 ARG 28 18.650 9.144 4.359 49 HD2 ARG 28 HD2 ARG 28 20.272 9.950 2.543 50 HD3 ARG 28 HD3 ARG 28 19.184 11.359 2.389 51 HE ARG 28 HE ARG 28 19.848 10.943 5.138 52 HH11 ARG 28 HH11 ARG 28 21.342 12.257 2.226 53 HH12 ARG 28 HH12 ARG 28 22.444 13.236 3.161 54 HH21 ARG 28 HH21 ARG 28 21.259 12.242 6.227 55 HH22 ARG 28 HH22 ARG 28 22.383 13.239 5.354 56 HA PRO 29 HA PRO 29 19.358 10.784 -1.987 57 HB2 PRO 29 HB2 PRO 29 19.089 13.435 -2.335 58 HB3 PRO 29 HB3 PRO 29 17.669 12.356 -2.455 59 HG2 PRO 29 HG2 PRO 29 18.574 13.963 -0.033 60 HG3 PRO 29 HG3 PRO 29 16.971 13.953 -0.816 61 HD2 PRO 29 HD2 PRO 29 17.669 12.383 1.370 62 HD3 PRO 29 HD3 PRO 29 16.471 11.856 0.169 63 H LYS 30 H LYS 30 21.172 12.130 -2.670 64 HA LYS 30 HA LYS 30 23.112 12.928 -0.536 65 HB2 LYS 30 HB2 LYS 30 23.683 11.194 -2.354 66 HB3 LYS 30 HB3 LYS 30 23.616 12.516 -3.521 67 HG2 LYS 30 HG2 LYS 30 25.443 13.676 -2.200 68 HG3 LYS 30 HG3 LYS 30 25.482 12.279 -1.111 69 HD2 LYS 30 HD2 LYS 30 26.066 10.816 -3.042 70 HD3 LYS 30 HD3 LYS 30 26.029 12.234 -4.116 71 HE2 LYS 30 HE2 LYS 30 27.835 13.295 -2.776 72 HE3 LYS 30 HE3 LYS 30 27.861 11.899 -1.692 73 HZ1 LYS 30 HZ1 LYS 30 28.538 10.515 -3.590 74 HZ2 LYS 30 HZ2 LYS 30 28.520 11.804 -4.596 75 HZ3 LYS 30 HZ3 LYS 30 29.603 11.731 -3.380 76 H LEU 31 H LEU 31 24.223 15.040 -0.924 77 HA LEU 31 HA LEU 31 22.548 17.188 -0.994 78 HB2 LEU 31 HB2 LEU 31 25.502 16.917 -1.537 79 HB3 LEU 31 HB3 LEU 31 24.731 18.476 -1.788 80 HG LEU 31 HG LEU 31 23.919 18.531 0.520 81 HD11 LEU 31 HD11 LEU 31 24.837 16.960 2.208 82 HD12 LEU 31 HD12 LEU 31 23.727 16.162 1.098 83 HD13 LEU 31 HD13 LEU 31 25.490 15.945 0.906 84 HD21 LEU 31 HD21 LEU 31 26.907 17.980 0.289 85 HD22 LEU 31 HD22 LEU 31 26.098 19.520 -0.079 86 HD23 LEU 31 HD23 LEU 31 26.104 18.904 1.580 87 HA PRO 32 HA PRO 32 23.018 18.418 -5.599 88 HB2 PRO 32 HB2 PRO 32 23.915 16.632 -7.473 89 HB3 PRO 32 HB3 PRO 32 24.988 17.703 -6.527 90 HG2 PRO 32 HG2 PRO 32 24.294 14.810 -5.936 91 HG3 PRO 32 HG3 PRO 32 25.923 15.558 -6.039 92 HD2 PRO 32 HD2 PRO 32 24.720 15.229 -3.667 93 HD3 PRO 32 HD3 PRO 32 25.608 16.740 -4.005 94 H LEU 33 H LEU 33 21.935 15.190 -4.718 95 HA LEU 33 HA LEU 33 19.764 15.208 -6.719 96 HB2 LEU 33 HB2 LEU 33 20.278 13.265 -4.450 97 HB3 LEU 33 HB3 LEU 33 19.164 13.062 -5.793 98 HG LEU 33 HG LEU 33 22.206 13.086 -5.913 99 HD11 LEU 33 HD11 LEU 33 21.928 10.779 -6.686 100 HD12 LEU 33 HD12 LEU 33 21.165 11.002 -5.105 101 HD13 LEU 33 HD13 LEU 33 20.161 10.931 -6.571 102 HD21 LEU 33 HD21 LEU 33 20.256 12.865 -8.245 103 HD22 LEU 33 HD22 LEU 33 21.414 14.183 -7.961 104 HD23 LEU 33 HD23 LEU 33 22.001 12.560 -8.320 105 H LEU 34 H LEU 34 20.125 15.745 -3.211 106 HA LEU 34 HA LEU 34 17.359 16.332 -2.624 107 HB2 LEU 34 HB2 LEU 34 19.048 15.897 -0.929 108 HB3 LEU 34 HB3 LEU 34 20.020 17.249 -1.416 109 HG LEU 34 HG LEU 34 17.207 17.799 -0.370 110 HD11 LEU 34 HD11 LEU 34 18.133 17.895 1.906 111 HD12 LEU 34 HD12 LEU 34 18.223 16.253 1.259 112 HD13 LEU 34 HD13 LEU 34 19.687 17.261 1.318 113 HD21 LEU 34 HD21 LEU 34 18.390 19.813 0.538 114 HD22 LEU 34 HD22 LEU 34 19.897 19.262 -0.209 115 HD23 LEU 34 HD23 LEU 34 18.512 19.736 -1.215 116 H LYS 35 H LYS 35 19.974 18.346 -3.971 117 HA LYS 35 HA LYS 35 18.834 20.881 -3.951 118 HB2 LYS 35 HB2 LYS 35 21.096 19.781 -4.974 119 HB3 LYS 35 HB3 LYS 35 20.192 19.880 -6.470 120 HG2 LYS 35 HG2 LYS 35 21.550 21.807 -6.308 121 HG3 LYS 35 HG3 LYS 35 19.895 22.367 -6.029 122 HD2 LYS 35 HD2 LYS 35 20.282 22.605 -3.660 123 HD3 LYS 35 HD3 LYS 35 21.772 21.639 -3.732 124 HE2 LYS 35 HE2 LYS 35 22.861 23.359 -5.106 125 HE3 LYS 35 HE3 LYS 35 21.385 24.336 -5.108 126 HZ1 LYS 35 HZ1 LYS 35 22.954 25.115 -3.421 127 HZ2 LYS 35 HZ2 LYS 35 21.613 24.560 -2.680 128 HZ3 LYS 35 HZ3 LYS 35 22.981 23.662 -2.683 129 H ILE 36 H ILE 36 18.125 18.259 -6.158 130 HA ILE 36 HA ILE 36 16.534 19.660 -8.082 131 HB ILE 36 HB ILE 36 16.477 16.696 -7.370 132 HG12 ILE 36 HG12 ILE 36 18.280 18.108 -9.382 133 HG13 ILE 36 HG13 ILE 36 18.814 17.595 -7.797 134 HG21 ILE 36 HG21 ILE 36 15.760 16.345 -9.681 135 HG22 ILE 36 HG22 ILE 36 14.645 17.464 -8.903 136 HG23 ILE 36 HG23 ILE 36 15.884 18.081 -10.016 137 HD11 ILE 36 HD11 ILE 36 17.967 15.762 -10.017 138 HD12 ILE 36 HD12 ILE 36 19.567 15.946 -9.248 139 HD13 ILE 36 HD13 ILE 36 18.225 15.241 -8.330 140 H LEU 37 H LEU 37 15.588 17.556 -5.307 141 HA LEU 37 HA LEU 37 12.788 18.323 -5.553 142 HB2 LEU 37 HB2 LEU 37 14.404 16.643 -3.602 143 HB3 LEU 37 HB3 LEU 37 12.818 17.138 -3.188 144 HG LEU 37 HG LEU 37 12.347 15.102 -4.000 145 HD11 LEU 37 HD11 LEU 37 11.166 15.170 -6.041 146 HD12 LEU 37 HD12 LEU 37 11.025 16.791 -5.339 147 HD13 LEU 37 HD13 LEU 37 12.148 16.501 -6.681 148 HD21 LEU 37 HD21 LEU 37 13.336 13.933 -5.794 149 HD22 LEU 37 HD22 LEU 37 14.231 15.376 -6.357 150 HD23 LEU 37 HD23 LEU 37 14.645 14.606 -4.809 151 H HIS 38 H HIS 38 15.479 19.684 -3.691 152 HA HIS 38 HA HIS 38 13.893 21.515 -2.120 153 HB2 HIS 38 HB2 HIS 38 16.759 21.170 -2.821 154 HB3 HIS 38 HB3 HIS 38 16.280 22.838 -2.633 155 HD2 HIS 38 HD2 HIS 38 15.113 19.787 -0.479 156 HE1 HIS 38 HE1 HIS 38 16.860 22.683 2.125 157 HE2 HIS 38 HE2 HIS 38 15.666 20.445 2.027 158 H ALA 39 H ALA 39 15.169 21.805 -5.483 159 HA ALA 39 HA ALA 39 14.266 24.443 -5.943 160 HB1 ALA 39 HB1 ALA 39 14.333 23.849 -8.310 161 HB2 ALA 39 HB2 ALA 39 15.715 23.099 -7.481 162 HB3 ALA 39 HB3 ALA 39 14.285 22.129 -7.921 163 H ALA 40 H ALA 40 12.399 21.533 -5.544 164 HA ALA 40 HA ALA 40 9.883 22.897 -6.315 165 HB1 ALA 40 HB1 ALA 40 8.953 20.609 -6.430 166 HB2 ALA 40 HB2 ALA 40 10.334 20.856 -7.497 167 HB3 ALA 40 HB3 ALA 40 10.536 19.946 -5.977 168 H GLY 41 H GLY 41 11.488 23.211 -3.693 169 HA2 GLY 41 HA2 GLY 41 10.851 23.876 -1.608 170 HA3 GLY 41 HA3 GLY 41 9.170 23.613 -2.069 171 H ALA 42 H ALA 42 11.214 20.788 -2.265 172 HA ALA 42 HA ALA 42 9.666 19.462 -0.210 173 HB1 ALA 42 HB1 ALA 42 10.680 17.495 -1.187 174 HB2 ALA 42 HB2 ALA 42 10.370 18.621 -2.526 175 HB3 ALA 42 HB3 ALA 42 12.004 18.482 -1.844 176 H GLN 43 H GLN 43 11.391 17.597 0.752 177 HA GLN 43 HA GLN 43 13.816 18.853 1.968 178 HB2 GLN 43 HB2 GLN 43 11.813 17.092 3.450 179 HB3 GLN 43 HB3 GLN 43 13.376 17.635 4.079 180 HG2 GLN 43 HG2 GLN 43 12.612 20.010 3.869 181 HG3 GLN 43 HG3 GLN 43 11.015 19.429 3.380 182 HE21 GLN 43 HE22 GLN 43 9.786 18.062 5.000 183 HE22 GLN 43 HE21 GLN 43 10.123 18.336 6.704 184 H GLY 44 H GLY 44 14.069 17.609 -0.327 185 HA2 GLY 44 HA2 GLY 44 15.610 16.158 -1.240 186 HA3 GLY 44 HA3 GLY 44 15.828 15.408 0.342 187 H GLU 45 H GLU 45 15.241 13.352 0.349 188 HA GLU 45 HA GLU 45 12.839 12.317 -0.987 189 HB2 GLU 45 HB2 GLU 45 15.542 11.102 -1.646 190 HB3 GLU 45 HB3 GLU 45 13.964 10.493 -2.129 191 HG2 GLU 45 HG2 GLU 45 13.573 12.618 -3.397 192 HG3 GLU 45 HG3 GLU 45 15.263 13.049 -3.081 193 H MET 46 H MET 46 14.027 12.666 1.805 194 HA MET 46 HA MET 46 14.427 9.930 2.735 195 HB2 MET 46 HB2 MET 46 15.831 11.696 3.437 196 HB3 MET 46 HB3 MET 46 14.460 12.504 4.246 197 HG2 MET 46 HG2 MET 46 14.256 10.585 5.797 198 HG3 MET 46 HG3 MET 46 15.504 9.712 4.908 199 HE1 MET 46 HE1 MET 46 15.480 10.025 8.046 200 HE2 MET 46 HE2 MET 46 16.757 9.173 7.148 201 HE3 MET 46 HE3 MET 46 17.188 10.395 8.364 202 H PHE 47 H PHE 47 12.215 9.697 1.673 203 HA PHE 47 HA PHE 47 10.126 9.165 3.631 204 HB2 PHE 47 HB2 PHE 47 8.487 10.849 2.584 205 HB3 PHE 47 HB3 PHE 47 9.635 11.399 3.770 206 HD1 PHE 47 HD2 PHE 47 9.500 10.973 0.034 207 HD2 PHE 47 HD1 PHE 47 10.719 13.433 3.354 208 HE1 PHE 47 HE2 PHE 47 10.175 12.765 -1.528 209 HE2 PHE 47 HE1 PHE 47 11.468 15.185 1.781 210 HZ PHE 47 HZ PHE 47 11.146 14.883 -0.664 211 H THR 48 H THR 48 8.007 8.572 2.556 212 HA THR 48 HA THR 48 8.452 6.358 0.955 213 HB THR 48 HB THR 48 5.712 7.589 1.066 214 HG1 THR 48 HG1 THR 48 5.554 7.084 3.288 215 HG21 THR 48 HG21 THR 48 6.579 4.841 2.035 216 HG22 THR 48 HG22 THR 48 4.940 5.424 1.749 217 HG23 THR 48 HG23 THR 48 6.019 5.156 0.381 218 H VAL 49 H VAL 49 7.292 5.706 -0.968 219 HA VAL 49 HA VAL 49 8.083 6.996 -3.316 220 HB VAL 49 HB VAL 49 5.789 5.032 -2.880 221 HG11 VAL 49 HG11 VAL 49 5.458 6.001 -5.079 222 HG12 VAL 49 HG12 VAL 49 7.178 5.825 -5.468 223 HG13 VAL 49 HG13 VAL 49 6.150 4.390 -5.269 224 HG21 VAL 49 HG21 VAL 49 7.960 4.150 -2.127 225 HG22 VAL 49 HG22 VAL 49 7.423 3.333 -3.593 226 HG23 VAL 49 HG23 VAL 49 8.688 4.574 -3.687 227 H LYS 50 H LYS 50 4.869 7.118 -1.765 228 HA LYS 50 HA LYS 50 3.698 8.872 -3.675 229 HB2 LYS 50 HB2 LYS 50 1.906 9.204 -2.012 230 HB3 LYS 50 HB3 LYS 50 2.329 7.502 -2.197 231 HG2 LYS 50 HG2 LYS 50 3.678 7.598 -0.112 232 HG3 LYS 50 HG3 LYS 50 3.274 9.314 0.074 233 HD2 LYS 50 HD2 LYS 50 0.891 8.754 0.304 234 HD3 LYS 50 HD3 LYS 50 1.254 7.030 0.049 235 HE2 LYS 50 HE2 LYS 50 2.703 7.022 2.058 236 HE3 LYS 50 HE3 LYS 50 2.401 8.744 2.305 237 HZ1 LYS 50 HZ1 LYS 50 0.035 8.215 2.648 238 HZ2 LYS 50 HZ2 LYS 50 0.310 6.620 2.415 239 HZ3 LYS 50 HZ3 LYS 50 0.947 7.380 3.710 240 H GLU 51 H GLU 51 5.787 9.656 -0.981 241 HA GLU 51 HA GLU 51 5.135 12.525 -1.128 242 HB2 GLU 51 HB2 GLU 51 7.299 11.025 0.391 243 HB3 GLU 51 HB3 GLU 51 6.963 12.750 0.531 244 HG2 GLU 51 HG2 GLU 51 5.087 10.468 1.282 245 HG3 GLU 51 HG3 GLU 51 6.022 11.452 2.390 246 H VAL 52 H VAL 52 7.977 10.442 -2.112 247 HA VAL 52 HA VAL 52 9.440 12.584 -3.448 248 HB VAL 52 HB VAL 52 10.378 10.934 -4.885 249 HG11 VAL 52 HG11 VAL 52 11.669 9.729 -3.198 250 HG12 VAL 52 HG12 VAL 52 11.409 11.390 -2.693 251 HG13 VAL 52 HG13 VAL 52 10.436 10.062 -1.973 252 HG21 VAL 52 HG21 VAL 52 8.674 9.188 -5.110 253 HG22 VAL 52 HG22 VAL 52 10.132 8.506 -4.390 254 HG23 VAL 52 HG23 VAL 52 8.775 8.911 -3.344 255 H MET 53 H MET 53 6.970 10.430 -4.798 256 HA MET 53 HA MET 53 7.077 11.746 -7.354 257 HB2 MET 53 HB2 MET 53 5.347 10.423 -8.100 258 HB3 MET 53 HB3 MET 53 6.203 9.415 -6.931 259 HG2 MET 53 HG2 MET 53 4.481 10.051 -5.226 260 HG3 MET 53 HG3 MET 53 3.596 10.931 -6.470 261 HE1 MET 53 HE1 MET 53 2.240 8.203 -8.833 262 HE2 MET 53 HE2 MET 53 2.366 9.937 -8.463 263 HE3 MET 53 HE3 MET 53 3.781 9.045 -9.070 264 H HIS 54 H HIS 54 5.321 12.652 -4.469 265 HA HIS 54 HA HIS 54 3.470 14.536 -5.678 266 HB2 HIS 54 HB2 HIS 54 2.818 13.949 -3.534 267 HB3 HIS 54 HB3 HIS 54 4.447 13.833 -2.938 268 HD2 HIS 54 HD2 HIS 54 5.208 15.606 -1.331 269 HE1 HIS 54 HE1 HIS 54 2.930 18.918 -2.721 270 HE2 HIS 54 HE2 HIS 54 4.625 18.147 -0.988 271 H TYR 55 H TYR 55 6.491 15.186 -3.804 272 HA TYR 55 HA TYR 55 6.935 17.783 -4.650 273 HB2 TYR 55 HB2 TYR 55 9.044 15.671 -4.122 274 HB3 TYR 55 HB3 TYR 55 9.271 17.417 -4.094 275 HD1 TYR 55 HD1 TYR 55 7.582 18.738 -2.469 276 HD2 TYR 55 HD2 TYR 55 8.805 14.633 -2.054 277 HE1 TYR 55 HE1 TYR 55 7.035 18.841 -0.046 278 HE2 TYR 55 HE2 TYR 55 8.229 14.726 0.384 279 HH TYR 55 HH TYR 55 6.968 17.693 1.947 280 H LEU 56 H LEU 56 7.883 14.803 -6.411 281 HA LEU 56 HA LEU 56 9.278 16.162 -8.521 282 HB2 LEU 56 HB2 LEU 56 9.543 13.831 -7.729 283 HB3 LEU 56 HB3 LEU 56 8.009 13.403 -8.480 284 HG LEU 56 HG LEU 56 10.378 14.518 -10.045 285 HD11 LEU 56 HD11 LEU 56 9.686 11.649 -9.281 286 HD12 LEU 56 HD12 LEU 56 10.831 12.074 -10.566 287 HD13 LEU 56 HD13 LEU 56 11.170 12.545 -8.895 288 HD21 LEU 56 HD21 LEU 56 7.924 12.882 -10.832 289 HD22 LEU 56 HD22 LEU 56 8.320 14.534 -11.336 290 HD23 LEU 56 HD23 LEU 56 9.303 13.196 -11.909 291 H GLY 57 H GLY 57 5.814 15.111 -8.259 292 HA2 GLY 57 HA2 GLY 57 4.942 15.892 -10.840 293 HA3 GLY 57 HA3 GLY 57 3.967 15.916 -9.369 294 H GLN 58 H GLN 58 5.070 17.882 -7.816 295 HA GLN 58 HA GLN 58 4.386 20.292 -9.239 296 HB2 GLN 58 HB2 GLN 58 4.717 21.519 -7.249 297 HB3 GLN 58 HB3 GLN 58 3.829 20.032 -6.927 298 HG2 GLN 58 HG2 GLN 58 5.986 19.027 -6.099 299 HG3 GLN 58 HG3 GLN 58 6.736 20.619 -6.257 300 HE21 GLN 58 HE22 GLN 58 7.183 20.577 -3.878 301 HE22 GLN 58 HE21 GLN 58 5.853 20.746 -2.757 302 H TYR 59 H TYR 59 7.595 18.821 -8.584 303 HA TYR 59 HA TYR 59 9.169 20.984 -9.578 304 HB2 TYR 59 HB2 TYR 59 10.113 18.896 -8.565 305 HB3 TYR 59 HB3 TYR 59 9.625 18.003 -9.974 306 HD1 TYR 59 HD1 TYR 59 10.667 18.434 -12.225 307 HD2 TYR 59 HD2 TYR 59 12.166 20.261 -8.619 308 HE1 TYR 59 HE1 TYR 59 12.911 18.659 -13.267 309 HE2 TYR 59 HE2 TYR 59 14.403 20.471 -9.664 310 HH TYR 59 HH TYR 59 15.124 19.239 -12.947 311 H ILE 60 H ILE 60 7.651 18.257 -11.455 312 HA ILE 60 HA ILE 60 8.397 19.242 -14.035 313 HB ILE 60 HB ILE 60 5.856 17.743 -13.301 314 HG12 ILE 60 HG12 ILE 60 8.313 16.407 -14.480 315 HG13 ILE 60 HG13 ILE 60 8.177 16.605 -12.742 316 HG21 ILE 60 HG21 ILE 60 7.308 18.080 -15.974 317 HG22 ILE 60 HG22 ILE 60 5.927 16.999 -15.712 318 HG23 ILE 60 HG23 ILE 60 5.711 18.731 -15.558 319 HD11 ILE 60 HD11 ILE 60 7.276 14.426 -13.380 320 HD12 ILE 60 HD12 ILE 60 5.982 15.450 -12.739 321 HD13 ILE 60 HD13 ILE 60 6.119 15.178 -14.485 322 H MET 61 H MET 61 5.495 19.961 -12.028 323 HA MET 61 HA MET 61 4.240 21.637 -13.927 324 HB2 MET 61 HB2 MET 61 3.347 20.569 -11.745 325 HB3 MET 61 HB3 MET 61 4.012 21.982 -10.919 326 HG2 MET 61 HG2 MET 61 1.675 22.343 -11.374 327 HG3 MET 61 HG3 MET 61 2.606 23.450 -12.372 328 HE1 MET 61 HE1 MET 61 2.664 23.437 -14.964 329 HE2 MET 61 HE2 MET 61 1.126 22.991 -15.735 330 HE3 MET 61 HE3 MET 61 1.131 24.073 -14.325 331 H VAL 62 H VAL 62 6.738 22.491 -11.512 332 HA VAL 62 HA VAL 62 6.675 25.354 -12.120 333 HB VAL 62 HB VAL 62 8.555 23.640 -10.543 334 HG11 VAL 62 HG11 VAL 62 9.897 25.524 -11.365 335 HG12 VAL 62 HG12 VAL 62 8.618 26.668 -10.893 336 HG13 VAL 62 HG13 VAL 62 9.525 25.764 -9.660 337 HG21 VAL 62 HG21 VAL 62 6.568 25.795 -9.696 338 HG22 VAL 62 HG22 VAL 62 6.292 24.051 -9.554 339 HG23 VAL 62 HG23 VAL 62 7.580 24.811 -8.614 340 H LYS 63 H LYS 63 8.991 22.701 -12.873 341 HA LYS 63 HA LYS 63 10.645 24.307 -14.624 342 HB2 LYS 63 HB2 LYS 63 10.311 21.272 -14.516 343 HB3 LYS 63 HB3 LYS 63 11.597 22.154 -15.333 344 HG2 LYS 63 HG2 LYS 63 11.253 21.718 -12.379 345 HG3 LYS 63 HG3 LYS 63 12.571 21.299 -13.469 346 HD2 LYS 63 HD2 LYS 63 12.836 23.911 -13.735 347 HD3 LYS 63 HD3 LYS 63 11.852 23.948 -12.253 348 HE2 LYS 63 HE2 LYS 63 14.138 24.057 -11.578 349 HE3 LYS 63 HE3 LYS 63 13.531 22.458 -11.143 350 HZ1 LYS 63 HZ1 LYS 63 15.183 23.049 -13.567 351 HZ2 LYS 63 HZ2 LYS 63 15.744 22.367 -12.191 352 HZ3 LYS 63 HZ3 LYS 63 14.688 21.553 -13.117 353 H GLN 64 H GLN 64 7.615 22.801 -15.157 354 HA GLN 64 HA GLN 64 6.290 22.455 -16.895 355 HB2 GLN 64 HB2 GLN 64 5.760 24.418 -18.197 356 HB3 GLN 64 HB3 GLN 64 6.001 24.748 -16.490 357 HG2 GLN 64 HG2 GLN 64 8.417 25.492 -17.186 358 HG3 GLN 64 HG3 GLN 64 7.771 25.534 -18.822 359 HE21 GLN 64 HE22 GLN 64 7.431 26.802 -15.471 360 HE22 GLN 64 HE21 GLN 64 6.620 28.292 -15.948 361 H LEU 65 H LEU 65 8.205 20.806 -17.241 362 HA LEU 65 HA LEU 65 9.497 21.055 -19.845 363 HB2 LEU 65 HB2 LEU 65 9.507 18.706 -17.911 364 HB3 LEU 65 HB3 LEU 65 10.612 18.979 -19.262 365 HG LEU 65 HG LEU 65 10.495 20.798 -16.859 366 HD11 LEU 65 HD11 LEU 65 12.390 18.491 -17.370 367 HD12 LEU 65 HD12 LEU 65 12.506 19.665 -16.043 368 HD13 LEU 65 HD13 LEU 65 11.131 18.550 -16.125 369 HD21 LEU 65 HD21 LEU 65 11.500 21.813 -18.867 370 HD22 LEU 65 HD22 LEU 65 12.733 21.503 -17.638 371 HD23 LEU 65 HD23 LEU 65 12.592 20.418 -19.039 372 H TYR 66 H TYR 66 6.404 20.316 -19.298 373 HA TYR 66 HA TYR 66 6.112 17.904 -20.933 374 HB2 TYR 66 HB2 TYR 66 3.668 18.368 -20.616 375 HB3 TYR 66 HB3 TYR 66 4.582 18.084 -19.149 376 HD1 TYR 66 HD1 TYR 66 3.151 20.815 -21.273 377 HD2 TYR 66 HD2 TYR 66 4.633 19.674 -17.400 378 HE1 TYR 66 HE1 TYR 66 2.460 23.024 -20.388 379 HE2 TYR 66 HE2 TYR 66 3.917 21.893 -16.480 380 HH TYR 66 HH TYR 66 2.379 24.402 -18.535 381 H ASP 67 H ASP 67 4.595 17.907 -22.796 382 HA ASP 67 HA ASP 67 5.513 19.841 -24.789 383 HB2 ASP 67 HB2 ASP 67 5.258 17.473 -25.337 384 HB3 ASP 67 HB3 ASP 67 3.548 17.557 -24.950 385 H GLN 68 H GLN 68 4.220 21.185 -26.061 386 HA GLN 68 HA GLN 68 2.518 22.904 -24.553 387 HB2 GLN 68 HB2 GLN 68 2.469 22.983 -27.564 388 HB3 GLN 68 HB3 GLN 68 2.415 24.290 -26.422 389 HG2 GLN 68 HG2 GLN 68 4.430 24.388 -27.727 390 HG3 GLN 68 HG3 GLN 68 4.846 24.072 -26.038 391 HE21 GLN 68 HE22 GLN 68 3.795 21.766 -28.705 392 HE22 GLN 68 HE21 GLN 68 5.122 20.684 -28.357 393 H GLN 69 H GLN 69 1.752 20.212 -26.765 394 HA GLN 69 HA GLN 69 -1.169 20.796 -26.623 395 HB2 GLN 69 HB2 GLN 69 0.509 19.119 -28.548 396 HB3 GLN 69 HB3 GLN 69 -1.243 19.084 -28.457 397 HG2 GLN 69 HG2 GLN 69 -0.795 20.529 -30.242 398 HG3 GLN 69 HG3 GLN 69 -1.290 21.564 -28.915 399 HE21 GLN 69 HE22 GLN 69 -0.264 23.430 -29.875 400 HE22 GLN 69 HE21 GLN 69 1.483 23.553 -29.987 401 H GLU 70 H GLU 70 1.403 18.468 -25.845 402 HA GLU 70 HA GLU 70 -0.615 16.815 -24.370 403 HB2 GLU 70 HB2 GLU 70 2.173 15.926 -25.129 404 HB3 GLU 70 HB3 GLU 70 0.843 14.989 -24.459 405 HG2 GLU 70 HG2 GLU 70 -0.400 15.891 -26.621 406 HG3 GLU 70 HG3 GLU 70 1.236 16.162 -27.200 407 H GLN 71 H GLN 71 -0.691 18.459 -22.685 408 HA GLN 71 HA GLN 71 1.456 18.911 -20.860 409 HB2 GLN 71 HB2 GLN 71 -1.529 18.604 -20.353 410 HB3 GLN 71 HB3 GLN 71 -0.359 19.193 -19.166 411 HG2 GLN 71 HG2 GLN 71 0.241 21.085 -20.659 412 HG3 GLN 71 HG3 GLN 71 -0.909 20.519 -21.867 413 HE21 GLN 71 HE22 GLN 71 -1.607 22.889 -21.505 414 HE22 GLN 71 HE21 GLN 71 -2.831 23.128 -20.264 415 H HIS 72 H HIS 72 -0.389 16.016 -21.525 416 HA HIS 72 HA HIS 72 0.425 14.643 -19.123 417 HB2 HIS 72 HB2 HIS 72 -1.039 13.045 -19.714 418 HB3 HIS 72 HB3 HIS 72 -1.646 14.235 -20.842 419 HD2 HIS 72 HD2 HIS 72 -0.243 10.784 -20.680 420 HE1 HIS 72 HE1 HIS 72 0.581 11.958 -24.692 421 HE2 HIS 72 HE2 HIS 72 0.566 10.005 -23.067 422 H MET 73 H MET 73 1.963 15.092 -22.313 423 HA MET 73 HA MET 73 3.864 12.893 -21.771 424 HB2 MET 73 HB2 MET 73 3.042 13.290 -24.074 425 HB3 MET 73 HB3 MET 73 3.785 14.901 -24.038 426 HG2 MET 73 HG2 MET 73 5.212 13.321 -25.219 427 HG3 MET 73 HG3 MET 73 6.001 13.928 -23.768 428 HE1 MET 73 HE1 MET 73 7.601 10.443 -23.847 429 HE2 MET 73 HE2 MET 73 7.260 11.505 -25.232 430 HE3 MET 73 HE3 MET 73 7.825 12.203 -23.695 431 H VAL 74 H VAL 74 5.839 13.194 -20.783 432 HA VAL 74 HA VAL 74 6.675 16.001 -20.143 433 HB VAL 74 HB VAL 74 6.991 13.550 -18.388 434 HG11 VAL 74 HG11 VAL 74 8.745 15.203 -17.989 435 HG12 VAL 74 HG12 VAL 74 7.553 16.523 -17.959 436 HG13 VAL 74 HG13 VAL 74 7.576 15.292 -16.679 437 HG21 VAL 74 HG21 VAL 74 4.612 14.184 -18.470 438 HG22 VAL 74 HG22 VAL 74 5.313 14.650 -16.923 439 HG23 VAL 74 HG23 VAL 74 5.035 15.883 -18.173 440 H TYR 75 H TYR 75 8.613 16.584 -20.847 441 HA TYR 75 HA TYR 75 10.685 14.553 -21.529 442 HB2 TYR 75 HB2 TYR 75 10.325 17.442 -22.375 443 HB3 TYR 75 HB3 TYR 75 11.752 16.469 -22.722 444 HD1 TYR 75 HD1 TYR 75 11.499 14.248 -23.893 445 HD2 TYR 75 HD2 TYR 75 8.333 17.177 -23.755 446 HE1 TYR 75 HE1 TYR 75 10.309 13.030 -25.673 447 HE2 TYR 75 HE2 TYR 75 7.160 15.982 -25.606 448 HH TYR 75 HH TYR 75 8.487 13.012 -27.119 449 H CYS 76 H CYS 76 12.909 15.158 -20.926 450 HA CYS 76 HA CYS 76 13.344 17.094 -18.719 451 HB2 CYS 76 HB2 CYS 76 13.663 14.097 -18.557 452 HB3 CYS 76 HB3 CYS 76 14.697 15.156 -17.590 453 HG CYS 76 HG CYS 76 11.438 15.552 -17.672 454 H GLY 77 H GLY 77 14.137 17.070 -21.553 455 HA2 GLY 77 HA2 GLY 77 16.671 15.920 -21.934 456 HA3 GLY 77 HA3 GLY 77 16.006 17.233 -22.912 457 H GLY 78 H GLY 78 18.516 16.352 -20.943 458 HA2 GLY 78 HA2 GLY 78 20.334 17.446 -20.089 459 HA3 GLY 78 HA3 GLY 78 19.723 18.968 -20.739 460 H ASP 79 H ASP 79 17.468 17.356 -18.516 461 HA ASP 79 HA ASP 79 18.050 19.481 -16.547 462 HB2 ASP 79 HB2 ASP 79 15.768 19.211 -17.581 463 HB3 ASP 79 HB3 ASP 79 15.635 17.663 -16.741 464 H LEU 80 H LEU 80 18.237 19.042 -14.330 465 HA LEU 80 HA LEU 80 19.736 16.735 -13.599 466 HB2 LEU 80 HB2 LEU 80 18.246 18.735 -11.876 467 HB3 LEU 80 HB3 LEU 80 19.340 17.482 -11.274 468 HG LEU 80 HG LEU 80 20.181 19.731 -13.135 469 HD11 LEU 80 HD11 LEU 80 21.344 20.604 -11.153 470 HD12 LEU 80 HD12 LEU 80 19.603 20.491 -10.855 471 HD13 LEU 80 HD13 LEU 80 20.700 19.273 -10.165 472 HD21 LEU 80 HD21 LEU 80 22.494 18.996 -12.523 473 HD22 LEU 80 HD22 LEU 80 21.806 17.568 -11.718 474 HD23 LEU 80 HD23 LEU 80 21.636 17.789 -13.477 475 H LEU 81 H LEU 81 16.252 17.220 -13.737 476 HA LEU 81 HA LEU 81 15.572 14.871 -12.188 477 HB2 LEU 81 HB2 LEU 81 14.034 16.709 -12.575 478 HB3 LEU 81 HB3 LEU 81 14.072 16.446 -14.320 479 HG LEU 81 HG LEU 81 13.005 14.187 -13.941 480 HD11 LEU 81 HD11 LEU 81 13.797 13.731 -11.639 481 HD12 LEU 81 HD12 LEU 81 12.853 15.105 -11.028 482 HD13 LEU 81 HD13 LEU 81 12.039 13.683 -11.720 483 HD21 LEU 81 HD21 LEU 81 11.597 16.283 -14.269 484 HD22 LEU 81 HD22 LEU 81 10.795 14.938 -13.439 485 HD23 LEU 81 HD23 LEU 81 11.394 16.315 -12.504 486 H GLY 82 H GLY 82 16.365 15.403 -15.633 487 HA2 GLY 82 HA2 GLY 82 15.833 12.672 -16.536 488 HA3 GLY 82 HA3 GLY 82 16.839 13.886 -17.336 489 H GLU 83 H GLU 83 18.735 14.413 -15.188 490 HA GLU 83 HA GLU 83 20.508 12.179 -15.346 491 HB2 GLU 83 HB2 GLU 83 21.324 14.387 -15.193 492 HB3 GLU 83 HB3 GLU 83 20.289 14.750 -13.828 493 HG2 GLU 83 HG2 GLU 83 22.512 14.628 -13.094 494 HG3 GLU 83 HG3 GLU 83 21.513 13.381 -12.356 495 H LEU 84 H LEU 84 18.212 13.251 -12.798 496 HA LEU 84 HA LEU 84 18.932 11.336 -10.837 497 HB2 LEU 84 HB2 LEU 84 17.695 13.403 -10.370 498 HB3 LEU 84 HB3 LEU 84 16.335 12.840 -11.335 499 HG LEU 84 HG LEU 84 15.933 11.000 -9.706 500 HD11 LEU 84 HD11 LEU 84 16.994 11.080 -7.496 501 HD12 LEU 84 HD12 LEU 84 18.220 10.801 -8.736 502 HD13 LEU 84 HD13 LEU 84 18.031 12.420 -8.014 503 HD21 LEU 84 HD21 LEU 84 14.713 13.124 -9.522 504 HD22 LEU 84 HD22 LEU 84 15.030 12.439 -7.925 505 HD23 LEU 84 HD23 LEU 84 16.008 13.803 -8.511 506 H LEU 85 H LEU 85 16.348 11.230 -13.327 507 HA LEU 85 HA LEU 85 15.523 8.512 -12.577 508 HB2 LEU 85 HB2 LEU 85 14.721 10.486 -14.732 509 HB3 LEU 85 HB3 LEU 85 14.312 8.786 -14.904 510 HG LEU 85 HG LEU 85 13.157 8.808 -12.701 511 HD11 LEU 85 HD11 LEU 85 14.226 10.805 -11.664 512 HD12 LEU 85 HD12 LEU 85 13.467 11.821 -12.909 513 HD13 LEU 85 HD13 LEU 85 12.470 10.947 -11.727 514 HD21 LEU 85 HD21 LEU 85 12.166 10.857 -14.732 515 HD22 LEU 85 HD22 LEU 85 11.950 9.102 -14.844 516 HD23 LEU 85 HD23 LEU 85 11.167 10.000 -13.535 517 H GLY 86 H GLY 86 17.888 9.844 -14.803 518 HA2 GLY 86 HA2 GLY 86 19.484 8.761 -16.093 519 HA3 GLY 86 HA3 GLY 86 18.787 7.185 -15.695 520 H ARG 87 H ARG 87 16.347 9.311 -16.661 521 HA ARG 87 HA ARG 87 16.481 8.742 -19.555 522 HB2 ARG 87 HB2 ARG 87 14.160 7.928 -17.731 523 HB3 ARG 87 HB3 ARG 87 14.013 8.043 -19.492 524 HG2 ARG 87 HG2 ARG 87 15.754 6.364 -19.793 525 HG3 ARG 87 HG3 ARG 87 15.952 6.225 -18.030 526 HD2 ARG 87 HD2 ARG 87 13.320 5.731 -18.164 527 HD3 ARG 87 HD3 ARG 87 13.730 5.197 -19.784 528 HE ARG 87 HE ARG 87 14.433 3.963 -17.196 529 HH11 ARG 87 HH11 ARG 87 15.314 3.894 -20.599 530 HH12 ARG 87 HH12 ARG 87 16.038 2.317 -20.445 531 HH21 ARG 87 HH21 ARG 87 15.304 2.037 -17.070 532 HH22 ARG 87 HH22 ARG 87 16.045 1.272 -18.471 533 H GLN 88 H GLN 88 15.530 10.156 -20.850 534 HA GLN 88 HA GLN 88 14.817 12.715 -19.540 535 HB2 GLN 88 HB2 GLN 88 15.963 12.156 -22.281 536 HB3 GLN 88 HB3 GLN 88 15.537 13.766 -21.655 537 HG2 GLN 88 HG2 GLN 88 17.053 13.506 -19.765 538 HG3 GLN 88 HG3 GLN 88 17.489 11.872 -20.280 539 HE21 GLN 88 HE22 GLN 88 18.506 11.701 -22.585 540 HE22 GLN 88 HE21 GLN 88 19.586 13.020 -23.012 541 H SER 89 H SER 89 12.975 10.302 -20.531 542 HA SER 89 HA SER 89 10.772 12.203 -20.742 543 HB2 SER 89 HB2 SER 89 9.730 11.353 -22.761 544 HB3 SER 89 HB3 SER 89 11.306 12.067 -23.097 545 HG SER 89 HG SER 89 11.067 10.064 -24.199 546 H PHE 90 H PHE 90 8.760 11.494 -20.288 547 HA PHE 90 HA PHE 90 7.944 8.747 -19.966 548 HB2 PHE 90 HB2 PHE 90 7.471 8.876 -17.535 549 HB3 PHE 90 HB3 PHE 90 9.177 8.876 -17.887 550 HD1 PHE 90 HD1 PHE 90 6.374 10.886 -16.578 551 HD2 PHE 90 HD2 PHE 90 10.604 10.804 -17.432 552 HE1 PHE 90 HE1 PHE 90 6.705 12.892 -15.166 553 HE2 PHE 90 HE2 PHE 90 10.928 12.814 -16.013 554 HZ PHE 90 HZ PHE 90 8.987 13.861 -14.880 555 H SER 91 H SER 91 5.555 8.886 -18.789 556 HA SER 91 HA SER 91 4.292 11.515 -19.331 557 HB2 SER 91 HB2 SER 91 2.700 10.713 -20.854 558 HB3 SER 91 HB3 SER 91 4.234 10.059 -21.435 559 HG SER 91 HG SER 91 2.970 8.304 -21.410 560 H VAL 92 H VAL 92 1.946 11.517 -18.729 561 HA VAL 92 HA VAL 92 1.531 10.447 -16.076 562 HB VAL 92 HB VAL 92 -0.377 11.745 -18.035 563 HG11 VAL 92 HG11 VAL 92 -1.792 12.278 -16.058 564 HG12 VAL 92 HG12 VAL 92 -1.755 10.556 -16.414 565 HG13 VAL 92 HG13 VAL 92 -0.785 11.200 -15.068 566 HG21 VAL 92 HG21 VAL 92 1.080 12.861 -15.592 567 HG22 VAL 92 HG22 VAL 92 1.514 13.203 -17.277 568 HG23 VAL 92 HG23 VAL 92 -0.032 13.756 -16.644 569 H LYS 93 H LYS 93 0.967 9.012 -19.231 570 HA LYS 93 HA LYS 93 -0.676 6.850 -17.989 571 HB2 LYS 93 HB2 LYS 93 -1.251 6.065 -20.093 572 HB3 LYS 93 HB3 LYS 93 -1.490 7.808 -20.119 573 HG2 LYS 93 HG2 LYS 93 0.561 8.103 -21.443 574 HG3 LYS 93 HG3 LYS 93 0.930 6.370 -21.310 575 HD2 LYS 93 HD2 LYS 93 -1.242 5.870 -22.480 576 HD3 LYS 93 HD3 LYS 93 -1.463 7.614 -22.731 577 HE2 LYS 93 HE2 LYS 93 0.693 7.683 -23.996 578 HE3 LYS 93 HE3 LYS 93 0.911 5.954 -23.714 579 HZ1 LYS 93 HZ1 LYS 93 -1.340 7.145 -25.258 580 HZ2 LYS 93 HZ2 LYS 93 -0.056 6.375 -25.905 581 HZ3 LYS 93 HZ3 LYS 93 -1.125 5.546 -24.997 582 H ASP 94 H ASP 94 2.579 7.454 -19.016 583 HA ASP 94 HA ASP 94 3.330 4.750 -18.019 584 HB2 ASP 94 HB2 ASP 94 3.424 4.719 -20.460 585 HB3 ASP 94 HB3 ASP 94 4.491 6.128 -20.456 586 HA PRO 95 HA PRO 95 5.777 7.937 -15.726 587 HB2 PRO 95 HB2 PRO 95 4.994 7.414 -13.193 588 HB3 PRO 95 HB3 PRO 95 3.944 8.312 -14.327 589 HG2 PRO 95 HG2 PRO 95 3.867 5.323 -13.720 590 HG3 PRO 95 HG3 PRO 95 2.507 6.488 -13.634 591 HD2 PRO 95 HD2 PRO 95 2.972 4.957 -15.841 592 HD3 PRO 95 HD3 PRO 95 2.376 6.640 -15.978 593 H SER 96 H SER 96 5.916 4.676 -16.239 594 HA SER 96 HA SER 96 7.168 3.382 -14.226 595 HB2 SER 96 HB2 SER 96 7.977 2.989 -17.122 596 HB3 SER 96 HB3 SER 96 8.030 1.816 -15.804 597 HG SER 96 HG SER 96 5.908 2.737 -17.344 598 HA PRO 97 HA PRO 97 11.649 4.877 -15.538 599 HB2 PRO 97 HB2 PRO 97 10.739 7.708 -16.164 600 HB3 PRO 97 HB3 PRO 97 12.254 6.893 -16.662 601 HG2 PRO 97 HG2 PRO 97 10.224 6.928 -18.409 602 HG3 PRO 97 HG3 PRO 97 10.962 5.330 -18.063 603 HD2 PRO 97 HD2 PRO 97 8.482 6.555 -16.806 604 HD3 PRO 97 HD3 PRO 97 8.670 4.944 -17.552 605 H LEU 98 H LEU 98 9.276 6.831 -13.727 606 HA LEU 98 HA LEU 98 11.147 7.870 -11.737 607 HB2 LEU 98 HB2 LEU 98 8.958 8.838 -12.354 608 HB3 LEU 98 HB3 LEU 98 8.118 7.426 -11.737 609 HG LEU 98 HG LEU 98 9.805 9.256 -9.989 610 HD11 LEU 98 HD11 LEU 98 7.660 10.296 -9.331 611 HD12 LEU 98 HD12 LEU 98 7.974 10.509 -11.058 612 HD13 LEU 98 HD13 LEU 98 6.801 9.289 -10.519 613 HD21 LEU 98 HD21 LEU 98 9.339 7.109 -8.882 614 HD22 LEU 98 HD22 LEU 98 8.318 8.351 -8.171 615 HD23 LEU 98 HD23 LEU 98 7.626 7.208 -9.339 616 H TYR 99 H TYR 99 8.866 5.126 -11.860 617 HA TYR 99 HA TYR 99 9.692 4.041 -9.338 618 HB2 TYR 99 HB2 TYR 99 8.278 2.687 -11.666 619 HB3 TYR 99 HB3 TYR 99 8.415 2.069 -10.021 620 HD1 TYR 99 HD1 TYR 99 7.174 3.105 -8.148 621 HD2 TYR 99 HD2 TYR 99 6.683 4.478 -12.211 622 HE1 TYR 99 HE1 TYR 99 5.081 4.284 -7.500 623 HE2 TYR 99 HE2 TYR 99 4.600 5.669 -11.548 624 HH TYR 99 HH TYR 99 3.309 5.566 -8.213 625 H ASP 100 H ASP 100 10.883 3.519 -12.659 626 HA ASP 100 HA ASP 100 12.680 1.399 -12.091 627 HB2 ASP 100 HB2 ASP 100 12.016 2.435 -14.333 628 HB3 ASP 100 HB3 ASP 100 13.153 3.728 -13.995 629 H MET 101 H MET 101 12.917 4.865 -11.461 630 HA MET 101 HA MET 101 15.656 4.819 -10.457 631 HB2 MET 101 HB2 MET 101 15.372 6.994 -10.758 632 HB3 MET 101 HB3 MET 101 13.657 6.781 -11.061 633 HG2 MET 101 HG2 MET 101 13.293 6.869 -8.561 634 HG3 MET 101 HG3 MET 101 14.974 7.380 -8.399 635 HE1 MET 101 HE1 MET 101 11.458 8.321 -8.527 636 HE2 MET 101 HE2 MET 101 12.461 9.025 -7.230 637 HE3 MET 101 HE3 MET 101 11.623 10.091 -8.366 638 H LEU 102 H LEU 102 12.418 4.511 -8.941 639 HA LEU 102 HA LEU 102 13.552 4.371 -6.253 640 HB2 LEU 102 HB2 LEU 102 10.723 3.899 -7.265 641 HB3 LEU 102 HB3 LEU 102 11.186 3.983 -5.568 642 HG LEU 102 HG LEU 102 11.435 6.256 -7.573 643 HD11 LEU 102 HD11 LEU 102 9.639 7.279 -6.365 644 HD12 LEU 102 HD12 LEU 102 9.123 5.656 -6.842 645 HD13 LEU 102 HD13 LEU 102 9.629 5.973 -5.162 646 HD21 LEU 102 HD21 LEU 102 12.076 6.126 -4.598 647 HD22 LEU 102 HD22 LEU 102 13.212 6.504 -5.916 648 HD23 LEU 102 HD23 LEU 102 11.925 7.635 -5.522 649 H ARG 103 H ARG 103 12.447 1.856 -8.483 650 HA ARG 103 HA ARG 103 12.223 -0.287 -6.684 651 HB2 ARG 103 HB2 ARG 103 12.401 -1.743 -8.612 652 HB3 ARG 103 HB3 ARG 103 11.434 -0.318 -8.972 653 HG2 ARG 103 HG2 ARG 103 12.574 -0.618 -10.896 654 HG3 ARG 103 HG3 ARG 103 13.486 0.657 -10.101 655 HD2 ARG 103 HD2 ARG 103 15.305 -0.880 -9.595 656 HD3 ARG 103 HD3 ARG 103 14.310 -2.264 -10.111 657 HE ARG 103 HE ARG 103 14.638 -0.229 -12.192 658 HH11 ARG 103 HH11 ARG 103 16.310 -3.040 -10.874 659 HH12 ARG 103 HH12 ARG 103 17.124 -3.323 -12.389 660 HH21 ARG 103 HH21 ARG 103 15.587 -0.633 -13.948 661 HH22 ARG 103 HH22 ARG 103 16.743 -1.959 -14.146 662 H LYS 104 H LYS 104 15.029 1.132 -7.958 663 HA LYS 104 HA LYS 104 17.037 -0.787 -7.128 664 HB2 LYS 104 HB2 LYS 104 17.269 0.945 -8.894 665 HB3 LYS 104 HB3 LYS 104 17.190 2.206 -7.653 666 HG2 LYS 104 HG2 LYS 104 19.315 1.469 -6.699 667 HG3 LYS 104 HG3 LYS 104 19.320 0.024 -7.721 668 HD2 LYS 104 HD2 LYS 104 20.853 1.739 -8.624 669 HD3 LYS 104 HD3 LYS 104 19.547 1.357 -9.737 670 HE2 LYS 104 HE2 LYS 104 19.750 3.694 -9.855 671 HE3 LYS 104 HE3 LYS 104 18.302 3.410 -8.888 672 HZ1 LYS 104 HZ1 LYS 104 19.674 3.848 -6.878 673 HZ2 LYS 104 HZ2 LYS 104 21.004 4.083 -7.800 674 HZ3 LYS 104 HZ3 LYS 104 19.753 5.120 -7.898 675 H ASN 105 H ASN 105 15.380 1.896 -5.445 676 HA ASN 105 HA ASN 105 17.058 1.516 -3.037 677 HB2 ASN 105 HB2 ASN 105 16.282 3.746 -3.714 678 HB3 ASN 105 HB3 ASN 105 14.615 3.267 -3.378 679 HD21 ASN 105 HD22 ASN 105 14.113 2.627 -1.064 680 HD22 ASN 105 HD21 ASN 105 15.108 3.350 0.191 681 H LEU 106 H LEU 106 13.437 1.326 -3.401 682 HA LEU 106 HA LEU 106 13.481 -0.990 -1.513 683 HB2 LEU 106 HB2 LEU 106 11.490 -0.357 -0.577 684 HB3 LEU 106 HB3 LEU 106 12.379 1.147 -0.680 685 HG LEU 106 HG LEU 106 10.140 0.253 -2.564 686 HD11 LEU 106 HD11 LEU 106 9.388 0.755 -0.257 687 HD12 LEU 106 HD12 LEU 106 10.093 2.377 -0.402 688 HD13 LEU 106 HD13 LEU 106 8.750 1.885 -1.457 689 HD21 LEU 106 HD21 LEU 106 11.579 1.810 -3.759 690 HD22 LEU 106 HD22 LEU 106 10.103 2.634 -3.299 691 HD23 LEU 106 HD23 LEU 106 11.588 2.935 -2.372 692 H VAL 107 H VAL 107 12.079 -2.766 -1.891 693 HA VAL 107 HA VAL 107 11.439 -3.312 -4.705 694 HB VAL 107 HB VAL 107 10.754 -4.910 -2.208 695 HG11 VAL 107 HG11 VAL 107 10.638 -5.656 -5.171 696 HG12 VAL 107 HG12 VAL 107 10.403 -6.777 -3.813 697 HG13 VAL 107 HG13 VAL 107 9.242 -5.476 -4.082 698 HG21 VAL 107 HG21 VAL 107 12.989 -5.242 -4.263 699 HG22 VAL 107 HG22 VAL 107 13.196 -4.772 -2.563 700 HG23 VAL 107 HG23 VAL 107 12.604 -6.387 -2.959 701 H THR 108 H THR 108 9.727 -2.451 -5.680 702 HA THR 108 HA THR 108 7.086 -2.323 -4.410 703 HB THR 108 HB THR 108 8.207 -0.283 -3.612 704 HG1 THR 108 HG1 THR 108 6.475 0.993 -4.009 705 HG21 THR 108 HG21 THR 108 8.576 1.632 -5.092 706 HG22 THR 108 HG22 THR 108 9.662 0.297 -5.508 707 HG23 THR 108 HG23 THR 108 8.236 0.629 -6.513 708 H LEU 109 H LEU 109 5.632 -0.974 -6.003 709 HA LEU 109 HA LEU 109 5.418 -2.536 -8.473 710 HB2 LEU 109 HB2 LEU 109 3.900 -0.060 -7.547 711 HB3 LEU 109 HB3 LEU 109 3.447 -1.091 -8.899 712 HG LEU 109 HG LEU 109 3.489 -1.931 -5.964 713 HD11 LEU 109 HD11 LEU 109 1.047 -1.965 -6.185 714 HD12 LEU 109 HD12 LEU 109 1.685 -0.350 -6.530 715 HD13 LEU 109 HD13 LEU 109 1.171 -1.402 -7.868 716 HD21 LEU 109 HD21 LEU 109 3.941 -3.879 -7.391 717 HD22 LEU 109 HD22 LEU 109 2.294 -3.960 -6.761 718 HD23 LEU 109 HD23 LEU 109 2.569 -3.455 -8.443 719 H ALA 110 H ALA 110 5.515 -1.710 -10.666 720 HA ALA 110 HA ALA 110 6.965 0.815 -11.041 721 HB1 ALA 110 HB1 ALA 110 7.948 -1.867 -12.064 722 HB2 ALA 110 HB2 ALA 110 8.796 -0.316 -12.234 723 HB3 ALA 110 HB3 ALA 110 8.655 -1.065 -10.619 724 H THR 111 H THR 111 4.534 -0.750 -12.019 725 HA THR 111 HA THR 111 3.314 -1.008 -13.990 726 HB THR 111 HB THR 111 4.358 1.786 -13.760 727 HG1 THR 111 HG1 THR 111 2.339 2.102 -12.763 728 HG21 THR 111 HG21 THR 111 3.443 1.692 -16.067 729 HG22 THR 111 HG22 THR 111 1.977 0.878 -15.474 730 HG23 THR 111 HG23 THR 111 2.311 2.569 -15.038 731 HD1 49H 200 HD1 49H 200 1.842 14.460 -13.439 732 HD2 49H 200 HD2 49H 200 2.384 13.176 -9.357 733 HD3 49H 200 HD3 49H 200 0.459 11.898 -13.013 734 HD4 49H 200 HD4 49H 200 -0.844 11.783 -8.911 735 HD5 49H 200 HD5 49H 200 -2.707 14.161 -14.326 736 HE1 49H 200 HE1 49H 200 3.941 13.331 -14.066 737 HE2 49H 200 HE2 49H 200 4.482 12.043 -9.999 738 HE4 49H 200 HE4 49H 200 -0.327 9.368 -8.819 739 HE5 49H 200 HE5 49H 200 -3.237 14.832 -16.598 740 HE6 49H 200 HE6 49H 200 0.035 17.575 -16.603 741 HZ2 49H 200 HZ2 49H 200 0.616 8.217 -10.811 742 HM11 49H 200 HM11 49H 200 -3.012 15.159 -18.911 743 HM12 49H 200 HM12 49H 200 -3.943 16.550 -18.273 744 HM13 49H 200 HM13 49H 200 -3.005 16.715 -19.783 745 HM21 49H 200 HM21 49H 200 3.216 15.813 -15.110 746 HM22 49H 200 HM22 49H 200 2.095 16.115 -16.446 747 HM23 49H 200 HM23 49H 200 3.553 17.091 -16.289 748 HM31 49H 200 HM31 49H 200 3.355 17.399 -13.156 749 HM32 49H 200 HM32 49H 200 3.736 18.767 -14.224 750 HM33 49H 200 HM33 49H 200 2.365 18.863 -13.120 751 HN1 49H 200 HN1 49H 200 -2.733 20.872 -12.650 752 H21 49H 200 H21 49H 200 -3.584 18.668 -12.853 753 H22 49H 200 H22 49H 200 -2.070 18.538 -13.775 754 H31 49H 200 H31 49H 200 -2.467 17.877 -10.822 755 H32 49H 200 H32 49H 200 -2.264 16.721 -12.110 756 H41 49H 200 H41 49H 200 0.809 19.528 -11.592 757 H42 49H 200 H42 49H 200 -0.081 19.312 -10.071 758 H7 49H 200 H7 49H 200 -1.281 13.731 -10.218 759 H8 49H 200 H8 49H 200 0.673 14.825 -9.894 760 H9 49H 200 H9 49H 200 1.623 18.437 -15.465 Start of MODEL 13 1 H1 GLN 23 H GLN 23 16.466 5.313 10.106 2 HA GLN 23 HA GLN 23 16.469 3.460 8.518 3 HB2 GLN 23 HB2 GLN 23 15.503 2.550 11.265 4 HB3 GLN 23 HB3 GLN 23 16.262 1.509 10.052 5 HG2 GLN 23 HG2 GLN 23 18.309 2.952 10.121 6 HG3 GLN 23 HG3 GLN 23 17.580 3.878 11.440 7 HE21 GLN 23 HE22 GLN 23 18.770 0.598 10.531 8 HE22 GLN 23 HE21 GLN 23 19.021 0.088 12.196 9 H ILE 24 H ILE 24 13.971 4.845 8.103 10 HA ILE 24 HA ILE 24 11.817 2.913 7.903 11 HB ILE 24 HB ILE 24 10.818 4.561 6.360 12 HG12 ILE 24 HG12 ILE 24 13.157 6.361 7.194 13 HG13 ILE 24 HG13 ILE 24 12.851 5.758 5.572 14 HG21 ILE 24 HG21 ILE 24 11.557 5.625 9.119 15 HG22 ILE 24 HG22 ILE 24 10.108 6.037 8.171 16 HG23 ILE 24 HG23 ILE 24 10.313 4.399 8.785 17 HD11 ILE 24 HD11 ILE 24 10.623 7.080 5.654 18 HD12 ILE 24 HD12 ILE 24 11.251 7.825 7.133 19 HD13 ILE 24 HD13 ILE 24 12.111 8.031 5.602 20 H ASN 25 H ASN 25 10.777 2.252 5.883 21 HA ASN 25 HA ASN 25 12.791 0.917 4.306 22 HB2 ASN 25 HB2 ASN 25 9.869 0.529 4.865 23 HB3 ASN 25 HB3 ASN 25 10.487 -0.179 3.388 24 HD21 ASN 25 HD22 ASN 25 11.757 0.052 6.776 25 HD22 ASN 25 HD21 ASN 25 12.135 -1.662 6.849 26 H GLN 26 H GLN 26 12.811 3.553 3.692 27 HA GLN 26 HA GLN 26 11.787 3.850 0.898 28 HB2 GLN 26 HB2 GLN 26 11.678 6.344 2.350 29 HB3 GLN 26 HB3 GLN 26 10.462 5.544 1.382 30 HG2 GLN 26 HG2 GLN 26 11.012 5.154 4.322 31 HG3 GLN 26 HG3 GLN 26 9.748 6.175 3.670 32 HE21 GLN 26 HE22 GLN 26 9.395 3.491 1.692 33 HE22 GLN 26 HE21 GLN 26 8.310 2.612 2.740 34 H VAL 27 H VAL 27 12.660 6.281 0.227 35 HA VAL 27 HA VAL 27 15.525 5.709 -0.147 36 HB VAL 27 HB VAL 27 14.032 8.055 -1.336 37 HG11 VAL 27 HG11 VAL 27 16.457 6.456 -2.190 38 HG12 VAL 27 HG12 VAL 27 15.551 7.471 -3.329 39 HG13 VAL 27 HG13 VAL 27 16.301 8.212 -1.943 40 HG21 VAL 27 HG21 VAL 27 13.935 5.186 -2.335 41 HG22 VAL 27 HG22 VAL 27 12.560 6.233 -1.891 42 HG23 VAL 27 HG23 VAL 27 13.510 6.610 -3.313 43 H ARG 28 H ARG 28 16.929 7.732 -0.234 44 HA ARG 28 HA ARG 28 16.501 9.999 1.441 45 HB2 ARG 28 HB2 ARG 28 17.034 8.165 3.140 46 HB3 ARG 28 HB3 ARG 28 18.572 7.890 2.355 47 HG2 ARG 28 HG2 ARG 28 17.731 10.341 3.946 48 HG3 ARG 28 HG3 ARG 28 18.747 9.017 4.480 49 HD2 ARG 28 HD2 ARG 28 20.292 9.784 2.465 50 HD3 ARG 28 HD3 ARG 28 19.385 11.310 2.674 51 HE ARG 28 HE ARG 28 20.224 10.545 5.231 52 HH11 ARG 28 HH11 ARG 28 21.826 11.591 2.267 53 HH12 ARG 28 HH12 ARG 28 23.239 12.121 3.143 54 HH21 ARG 28 HH21 ARG 28 22.048 11.270 6.250 55 HH22 ARG 28 HH22 ARG 28 23.346 11.969 5.330 56 HA PRO 29 HA PRO 29 19.346 10.846 -1.873 57 HB2 PRO 29 HB2 PRO 29 19.314 13.541 -1.923 58 HB3 PRO 29 HB3 PRO 29 17.792 12.619 -2.035 59 HG2 PRO 29 HG2 PRO 29 19.056 13.798 0.477 60 HG3 PRO 29 HG3 PRO 29 17.418 14.099 -0.166 61 HD2 PRO 29 HD2 PRO 29 17.884 12.190 1.726 62 HD3 PRO 29 HD3 PRO 29 16.702 11.909 0.442 63 H LYS 30 H LYS 30 21.138 12.177 -2.583 64 HA LYS 30 HA LYS 30 23.334 12.716 -0.623 65 HB2 LYS 30 HB2 LYS 30 23.691 10.926 -2.407 66 HB3 LYS 30 HB3 LYS 30 23.518 12.187 -3.630 67 HG2 LYS 30 HG2 LYS 30 25.506 13.367 -2.598 68 HG3 LYS 30 HG3 LYS 30 25.657 12.025 -1.453 69 HD2 LYS 30 HD2 LYS 30 26.043 10.465 -3.331 70 HD3 LYS 30 HD3 LYS 30 25.799 11.788 -4.497 71 HE2 LYS 30 HE2 LYS 30 27.730 13.012 -3.521 72 HE3 LYS 30 HE3 LYS 30 27.974 11.709 -2.352 73 HZ1 LYS 30 HZ1 LYS 30 29.458 11.465 -4.262 74 HZ2 LYS 30 HZ2 LYS 30 28.431 10.200 -4.221 75 HZ3 LYS 30 HZ3 LYS 30 28.208 11.402 -5.306 76 H LEU 31 H LEU 31 24.566 14.736 -1.163 77 HA LEU 31 HA LEU 31 23.152 17.002 -1.057 78 HB2 LEU 31 HB2 LEU 31 25.473 16.857 -0.551 79 HB3 LEU 31 HB3 LEU 31 25.905 16.476 -2.209 80 HG LEU 31 HG LEU 31 25.256 18.749 -2.917 81 HD11 LEU 31 HD11 LEU 31 24.856 19.265 0.065 82 HD12 LEU 31 HD12 LEU 31 24.907 20.514 -1.198 83 HD13 LEU 31 HD13 LEU 31 23.593 19.335 -1.184 84 HD21 LEU 31 HD21 LEU 31 27.237 18.676 -0.607 85 HD22 LEU 31 HD22 LEU 31 27.581 18.243 -2.297 86 HD23 LEU 31 HD23 LEU 31 27.162 19.912 -1.884 87 HA PRO 32 HA PRO 32 23.019 18.244 -5.665 88 HB2 PRO 32 HB2 PRO 32 23.534 16.473 -7.687 89 HB3 PRO 32 HB3 PRO 32 24.803 17.432 -6.868 90 HG2 PRO 32 HG2 PRO 32 23.978 14.573 -6.266 91 HG3 PRO 32 HG3 PRO 32 25.629 15.208 -6.564 92 HD2 PRO 32 HD2 PRO 32 24.714 14.879 -4.056 93 HD3 PRO 32 HD3 PRO 32 25.682 16.322 -4.480 94 H LEU 33 H LEU 33 21.899 15.014 -4.745 95 HA LEU 33 HA LEU 33 19.559 15.130 -6.517 96 HB2 LEU 33 HB2 LEU 33 20.120 13.176 -4.275 97 HB3 LEU 33 HB3 LEU 33 18.966 13.012 -5.590 98 HG LEU 33 HG LEU 33 22.000 12.908 -5.772 99 HD11 LEU 33 HD11 LEU 33 19.846 10.864 -6.431 100 HD12 LEU 33 HD12 LEU 33 21.602 10.631 -6.579 101 HD13 LEU 33 HD13 LEU 33 20.874 10.865 -4.982 102 HD21 LEU 33 HD21 LEU 33 21.722 12.422 -8.191 103 HD22 LEU 33 HD22 LEU 33 20.005 12.855 -8.075 104 HD23 LEU 33 HD23 LEU 33 21.260 14.076 -7.789 105 H LEU 34 H LEU 34 20.243 15.715 -3.073 106 HA LEU 34 HA LEU 34 17.552 16.399 -2.295 107 HB2 LEU 34 HB2 LEU 34 19.342 15.905 -0.733 108 HB3 LEU 34 HB3 LEU 34 20.288 17.267 -1.257 109 HG LEU 34 HG LEU 34 17.527 17.835 -0.070 110 HD11 LEU 34 HD11 LEU 34 18.532 17.850 2.174 111 HD12 LEU 34 HD12 LEU 34 18.562 16.221 1.488 112 HD13 LEU 34 HD13 LEU 34 20.050 17.194 1.521 113 HD21 LEU 34 HD21 LEU 34 18.847 19.746 -0.923 114 HD22 LEU 34 HD22 LEU 34 18.786 19.791 0.836 115 HD23 LEU 34 HD23 LEU 34 20.256 19.227 0.029 116 H LYS 35 H LYS 35 20.097 18.219 -3.950 117 HA LYS 35 HA LYS 35 18.982 20.818 -3.874 118 HB2 LYS 35 HB2 LYS 35 21.256 19.701 -4.906 119 HB3 LYS 35 HB3 LYS 35 20.344 19.873 -6.395 120 HG2 LYS 35 HG2 LYS 35 21.704 21.786 -6.160 121 HG3 LYS 35 HG3 LYS 35 20.046 22.327 -5.845 122 HD2 LYS 35 HD2 LYS 35 20.465 22.511 -3.473 123 HD3 LYS 35 HD3 LYS 35 21.887 21.472 -3.572 124 HE2 LYS 35 HE2 LYS 35 22.678 23.690 -3.232 125 HE3 LYS 35 HE3 LYS 35 23.093 23.195 -4.874 126 HZ1 LYS 35 HZ1 LYS 35 20.794 24.957 -4.146 127 HZ2 LYS 35 HZ2 LYS 35 22.197 25.468 -4.797 128 HZ3 LYS 35 HZ3 LYS 35 21.197 24.532 -5.677 129 H ILE 36 H ILE 36 18.317 18.185 -6.139 130 HA ILE 36 HA ILE 36 16.570 19.597 -7.928 131 HB ILE 36 HB ILE 36 16.655 16.630 -7.218 132 HG12 ILE 36 HG12 ILE 36 17.995 18.006 -9.576 133 HG13 ILE 36 HG13 ILE 36 18.842 17.729 -8.071 134 HG21 ILE 36 HG21 ILE 36 14.571 17.234 -8.453 135 HG22 ILE 36 HG22 ILE 36 15.562 17.971 -9.728 136 HG23 ILE 36 HG23 ILE 36 15.635 16.227 -9.425 137 HD11 ILE 36 HD11 ILE 36 18.294 15.264 -8.260 138 HD12 ILE 36 HD12 ILE 36 17.795 15.605 -9.936 139 HD13 ILE 36 HD13 ILE 36 19.467 15.921 -9.408 140 H LEU 37 H LEU 37 15.907 17.554 -5.056 141 HA LEU 37 HA LEU 37 13.064 18.076 -5.121 142 HB2 LEU 37 HB2 LEU 37 14.985 16.600 -3.352 143 HB3 LEU 37 HB3 LEU 37 13.510 17.123 -2.616 144 HG LEU 37 HG LEU 37 13.404 14.825 -3.473 145 HD11 LEU 37 HD11 LEU 37 11.338 16.109 -3.206 146 HD12 LEU 37 HD12 LEU 37 11.438 16.628 -4.908 147 HD13 LEU 37 HD13 LEU 37 11.230 14.914 -4.502 148 HD21 LEU 37 HD21 LEU 37 14.754 15.028 -5.517 149 HD22 LEU 37 HD22 LEU 37 13.166 14.277 -5.786 150 HD23 LEU 37 HD23 LEU 37 13.439 15.963 -6.276 151 H HIS 38 H HIS 38 15.748 19.800 -3.499 152 HA HIS 38 HA HIS 38 14.003 21.644 -2.086 153 HB2 HIS 38 HB2 HIS 38 16.906 21.631 -2.915 154 HB3 HIS 38 HB3 HIS 38 16.158 23.145 -2.430 155 HD2 HIS 38 HD2 HIS 38 14.922 20.079 -0.508 156 HE1 HIS 38 HE1 HIS 38 17.502 22.269 2.101 157 HE2 HIS 38 HE2 HIS 38 15.828 20.369 1.968 158 H ALA 39 H ALA 39 15.330 21.720 -5.439 159 HA ALA 39 HA ALA 39 14.039 24.189 -6.132 160 HB1 ALA 39 HB1 ALA 39 14.382 23.448 -8.457 161 HB2 ALA 39 HB2 ALA 39 15.838 23.169 -7.480 162 HB3 ALA 39 HB3 ALA 39 14.767 21.815 -7.899 163 H ALA 40 H ALA 40 12.798 20.923 -5.759 164 HA ALA 40 HA ALA 40 10.145 21.553 -6.808 165 HB1 ALA 40 HB1 ALA 40 11.340 19.252 -6.870 166 HB2 ALA 40 HB2 ALA 40 10.914 19.124 -5.157 167 HB3 ALA 40 HB3 ALA 40 9.639 19.295 -6.359 168 H GLY 41 H GLY 41 11.558 22.703 -4.052 169 HA2 GLY 41 HA2 GLY 41 10.682 23.694 -2.181 170 HA3 GLY 41 HA3 GLY 41 9.057 23.262 -2.716 171 H ALA 42 H ALA 42 11.309 20.620 -2.359 172 HA ALA 42 HA ALA 42 9.686 19.480 -0.206 173 HB1 ALA 42 HB1 ALA 42 11.984 18.265 -1.739 174 HB2 ALA 42 HB2 ALA 42 10.615 17.416 -0.994 175 HB3 ALA 42 HB3 ALA 42 10.366 18.399 -2.453 176 H GLN 43 H GLN 43 11.539 17.668 0.842 177 HA GLN 43 HA GLN 43 13.929 19.085 1.880 178 HB2 GLN 43 HB2 GLN 43 13.462 18.246 4.189 179 HB3 GLN 43 HB3 GLN 43 12.392 19.532 3.640 180 HG2 GLN 43 HG2 GLN 43 10.577 17.922 3.217 181 HG3 GLN 43 HG3 GLN 43 11.619 16.578 3.678 182 HE21 GLN 43 HE22 GLN 43 9.382 16.542 5.049 183 HE22 GLN 43 HE21 GLN 43 9.581 17.221 6.659 184 H GLY 44 H GLY 44 14.647 17.777 0.069 185 HA2 GLY 44 HA2 GLY 44 16.123 16.102 -0.546 186 HA3 GLY 44 HA3 GLY 44 15.954 15.385 1.061 187 H GLU 45 H GLU 45 15.720 13.316 0.335 188 HA GLU 45 HA GLU 45 13.167 12.490 -0.942 189 HB2 GLU 45 HB2 GLU 45 15.892 11.327 -1.609 190 HB3 GLU 45 HB3 GLU 45 14.348 10.653 -2.115 191 HG2 GLU 45 HG2 GLU 45 13.815 12.682 -3.362 192 HG3 GLU 45 HG3 GLU 45 15.407 13.361 -2.961 193 H MET 46 H MET 46 14.167 12.669 1.890 194 HA MET 46 HA MET 46 14.629 9.906 2.690 195 HB2 MET 46 HB2 MET 46 15.951 11.645 3.538 196 HB3 MET 46 HB3 MET 46 14.525 12.415 4.293 197 HG2 MET 46 HG2 MET 46 14.280 10.469 5.796 198 HG3 MET 46 HG3 MET 46 15.571 9.621 4.943 199 HE1 MET 46 HE1 MET 46 15.410 9.903 8.095 200 HE2 MET 46 HE2 MET 46 16.725 9.060 7.241 201 HE3 MET 46 HE3 MET 46 17.104 10.274 8.483 202 H PHE 47 H PHE 47 12.467 9.657 1.512 203 HA PHE 47 HA PHE 47 10.303 8.975 3.360 204 HB2 PHE 47 HB2 PHE 47 8.680 10.615 2.318 205 HB3 PHE 47 HB3 PHE 47 9.836 11.207 3.482 206 HD1 PHE 47 HD1 PHE 47 9.601 10.700 -0.244 207 HD2 PHE 47 HD2 PHE 47 10.927 13.259 2.967 208 HE1 PHE 47 HE1 PHE 47 10.193 12.468 -1.871 209 HE2 PHE 47 HE2 PHE 47 11.620 14.963 1.311 210 HZ PHE 47 HZ PHE 47 11.161 14.603 -1.105 211 H THR 48 H THR 48 8.221 8.509 2.132 212 HA THR 48 HA THR 48 8.772 6.272 0.433 213 HB THR 48 HB THR 48 6.012 7.292 1.117 214 HG1 THR 48 HG1 THR 48 6.275 6.414 3.176 215 HG21 THR 48 HG21 THR 48 7.232 4.513 0.889 216 HG22 THR 48 HG22 THR 48 5.703 4.814 1.723 217 HG23 THR 48 HG23 THR 48 5.833 5.184 0.012 218 H VAL 49 H VAL 49 7.272 5.651 -1.321 219 HA VAL 49 HA VAL 49 7.838 6.989 -3.699 220 HB VAL 49 HB VAL 49 5.510 5.096 -3.162 221 HG11 VAL 49 HG11 VAL 49 5.208 6.139 -5.341 222 HG12 VAL 49 HG12 VAL 49 6.899 5.830 -5.770 223 HG13 VAL 49 HG13 VAL 49 5.764 4.481 -5.560 224 HG21 VAL 49 HG21 VAL 49 8.390 4.505 -3.935 225 HG22 VAL 49 HG22 VAL 49 7.549 4.021 -2.450 226 HG23 VAL 49 HG23 VAL 49 7.055 3.333 -3.991 227 H LYS 50 H LYS 50 4.854 7.158 -1.771 228 HA LYS 50 HA LYS 50 3.475 8.920 -3.555 229 HB2 LYS 50 HB2 LYS 50 1.866 9.238 -1.708 230 HB3 LYS 50 HB3 LYS 50 2.262 7.535 -1.952 231 HG2 LYS 50 HG2 LYS 50 3.814 7.600 -0.015 232 HG3 LYS 50 HG3 LYS 50 3.458 9.320 0.220 233 HD2 LYS 50 HD2 LYS 50 1.114 8.809 0.707 234 HD3 LYS 50 HD3 LYS 50 1.399 7.080 0.396 235 HE2 LYS 50 HE2 LYS 50 3.025 6.977 2.242 236 HE3 LYS 50 HE3 LYS 50 2.870 8.713 2.519 237 HZ1 LYS 50 HZ1 LYS 50 1.498 7.440 4.081 238 HZ2 LYS 50 HZ2 LYS 50 0.528 8.341 3.130 239 HZ3 LYS 50 HZ3 LYS 50 0.668 6.733 2.868 240 H GLU 51 H GLU 51 5.817 9.648 -1.087 241 HA GLU 51 HA GLU 51 5.204 12.533 -1.143 242 HB2 GLU 51 HB2 GLU 51 7.425 10.950 0.204 243 HB3 GLU 51 HB3 GLU 51 7.184 12.691 0.362 244 HG2 GLU 51 HG2 GLU 51 5.287 10.487 1.270 245 HG3 GLU 51 HG3 GLU 51 6.322 11.461 2.292 246 H VAL 52 H VAL 52 7.916 10.406 -2.376 247 HA VAL 52 HA VAL 52 9.299 12.526 -3.802 248 HB VAL 52 HB VAL 52 10.055 10.883 -5.365 249 HG11 VAL 52 HG11 VAL 52 11.439 9.558 -3.803 250 HG12 VAL 52 HG12 VAL 52 11.339 11.244 -3.309 251 HG13 VAL 52 HG13 VAL 52 10.359 9.997 -2.472 252 HG21 VAL 52 HG21 VAL 52 8.528 8.890 -3.722 253 HG22 VAL 52 HG22 VAL 52 8.271 9.208 -5.468 254 HG23 VAL 52 HG23 VAL 52 9.754 8.456 -4.907 255 H MET 53 H MET 53 6.654 10.460 -4.967 256 HA MET 53 HA MET 53 6.577 11.762 -7.519 257 HB2 MET 53 HB2 MET 53 4.793 10.419 -8.092 258 HB3 MET 53 HB3 MET 53 5.733 9.453 -6.962 259 HG2 MET 53 HG2 MET 53 4.132 10.189 -5.153 260 HG3 MET 53 HG3 MET 53 3.131 10.931 -6.396 261 HE1 MET 53 HE1 MET 53 1.819 9.639 -8.253 262 HE2 MET 53 HE2 MET 53 3.276 8.801 -8.842 263 HE3 MET 53 HE3 MET 53 1.819 7.872 -8.446 264 H HIS 54 H HIS 54 5.062 12.690 -4.503 265 HA HIS 54 HA HIS 54 3.165 14.627 -5.543 266 HB2 HIS 54 HB2 HIS 54 2.714 14.007 -3.338 267 HB3 HIS 54 HB3 HIS 54 4.394 13.934 -2.893 268 HD2 HIS 54 HD2 HIS 54 5.156 15.700 -1.283 269 HE1 HIS 54 HE1 HIS 54 2.918 19.029 -2.696 270 HE2 HIS 54 HE2 HIS 54 4.630 18.259 -0.981 271 H TYR 55 H TYR 55 6.339 15.208 -3.910 272 HA TYR 55 HA TYR 55 6.782 17.785 -4.783 273 HB2 TYR 55 HB2 TYR 55 8.855 15.606 -4.441 274 HB3 TYR 55 HB3 TYR 55 9.156 17.343 -4.410 275 HD1 TYR 55 HD1 TYR 55 7.514 18.656 -2.666 276 HD2 TYR 55 HD2 TYR 55 8.845 14.575 -2.351 277 HE1 TYR 55 HE1 TYR 55 7.127 18.743 -0.212 278 HE2 TYR 55 HE2 TYR 55 8.427 14.654 0.120 279 HH TYR 55 HH TYR 55 7.219 17.589 1.777 280 H LEU 56 H LEU 56 7.666 14.796 -6.621 281 HA LEU 56 HA LEU 56 8.878 16.063 -8.816 282 HB2 LEU 56 HB2 LEU 56 8.943 13.658 -8.418 283 HB3 LEU 56 HB3 LEU 56 7.200 13.537 -8.680 284 HG LEU 56 HG LEU 56 7.448 14.121 -11.034 285 HD11 LEU 56 HD11 LEU 56 9.720 14.220 -12.055 286 HD12 LEU 56 HD12 LEU 56 9.409 15.600 -11.004 287 HD13 LEU 56 HD13 LEU 56 10.429 14.265 -10.421 288 HD21 LEU 56 HD21 LEU 56 7.627 11.780 -10.352 289 HD22 LEU 56 HD22 LEU 56 8.630 12.106 -11.773 290 HD23 LEU 56 HD23 LEU 56 9.393 11.945 -10.173 291 H GLY 57 H GLY 57 5.333 15.445 -8.366 292 HA2 GLY 57 HA2 GLY 57 4.416 16.386 -10.870 293 HA3 GLY 57 HA3 GLY 57 3.523 16.491 -9.347 294 H GLN 58 H GLN 58 4.976 18.280 -7.853 295 HA GLN 58 HA GLN 58 4.436 20.790 -9.189 296 HB2 GLN 58 HB2 GLN 58 5.076 21.900 -7.136 297 HB3 GLN 58 HB3 GLN 58 3.864 20.638 -6.934 298 HG2 GLN 58 HG2 GLN 58 5.661 19.108 -6.097 299 HG3 GLN 58 HG3 GLN 58 6.806 20.453 -6.176 300 HE21 GLN 58 HE22 GLN 58 7.198 20.532 -3.883 301 HE22 GLN 58 HE21 GLN 58 5.915 20.856 -2.725 302 H TYR 59 H TYR 59 7.513 19.012 -8.659 303 HA TYR 59 HA TYR 59 9.249 21.081 -9.609 304 HB2 TYR 59 HB2 TYR 59 10.013 18.912 -8.660 305 HB3 TYR 59 HB3 TYR 59 9.463 18.086 -10.089 306 HD1 TYR 59 HD2 TYR 59 10.636 18.367 -12.279 307 HD2 TYR 59 HD1 TYR 59 12.078 20.317 -8.716 308 HE1 TYR 59 HE2 TYR 59 12.906 18.536 -13.284 309 HE2 TYR 59 HE1 TYR 59 14.357 20.399 -9.689 310 HH TYR 59 HH TYR 59 15.147 19.097 -12.931 311 H ILE 60 H ILE 60 7.549 18.496 -11.480 312 HA ILE 60 HA ILE 60 8.265 19.363 -14.115 313 HB ILE 60 HB ILE 60 5.737 18.010 -13.083 314 HG12 ILE 60 HG12 ILE 60 8.016 16.618 -14.527 315 HG13 ILE 60 HG13 ILE 60 8.072 16.836 -12.790 316 HG21 ILE 60 HG21 ILE 60 5.496 17.196 -15.481 317 HG22 ILE 60 HG22 ILE 60 5.216 18.910 -15.250 318 HG23 ILE 60 HG23 ILE 60 6.765 18.352 -15.933 319 HD11 ILE 60 HD11 ILE 60 5.860 15.716 -12.546 320 HD12 ILE 60 HD12 ILE 60 5.855 15.373 -14.284 321 HD13 ILE 60 HD13 ILE 60 7.104 14.666 -13.249 322 H MET 61 H MET 61 5.462 20.309 -12.046 323 HA MET 61 HA MET 61 4.353 22.086 -13.962 324 HB2 MET 61 HB2 MET 61 3.256 21.011 -11.956 325 HB3 MET 61 HB3 MET 61 4.050 22.219 -10.946 326 HG2 MET 61 HG2 MET 61 1.723 22.823 -11.472 327 HG3 MET 61 HG3 MET 61 2.865 24.022 -12.060 328 HE1 MET 61 HE1 MET 61 0.640 21.016 -14.845 329 HE2 MET 61 HE2 MET 61 2.121 20.543 -13.988 330 HE3 MET 61 HE3 MET 61 0.646 20.928 -13.069 331 H VAL 62 H VAL 62 6.833 22.725 -11.477 332 HA VAL 62 HA VAL 62 6.977 25.594 -11.978 333 HB VAL 62 HB VAL 62 8.749 23.664 -10.533 334 HG11 VAL 62 HG11 VAL 62 9.973 25.631 -9.622 335 HG12 VAL 62 HG12 VAL 62 10.271 25.409 -11.344 336 HG13 VAL 62 HG13 VAL 62 9.144 26.674 -10.800 337 HG21 VAL 62 HG21 VAL 62 7.064 26.012 -9.561 338 HG22 VAL 62 HG22 VAL 62 6.558 24.317 -9.492 339 HG23 VAL 62 HG23 VAL 62 7.956 24.850 -8.550 340 H LYS 63 H LYS 63 9.073 22.833 -12.943 341 HA LYS 63 HA LYS 63 10.737 24.398 -14.736 342 HB2 LYS 63 HB2 LYS 63 10.182 21.389 -14.760 343 HB3 LYS 63 HB3 LYS 63 11.471 22.213 -15.619 344 HG2 LYS 63 HG2 LYS 63 11.285 21.611 -12.680 345 HG3 LYS 63 HG3 LYS 63 12.540 21.228 -13.848 346 HD2 LYS 63 HD2 LYS 63 12.955 23.810 -13.937 347 HD3 LYS 63 HD3 LYS 63 11.922 23.853 -12.491 348 HE2 LYS 63 HE2 LYS 63 14.114 23.830 -11.661 349 HE3 LYS 63 HE3 LYS 63 13.478 22.207 -11.396 350 HZ1 LYS 63 HZ1 LYS 63 14.746 21.491 -13.405 351 HZ2 LYS 63 HZ2 LYS 63 15.317 23.011 -13.613 352 HZ3 LYS 63 HZ3 LYS 63 15.735 22.142 -12.293 353 H GLN 64 H GLN 64 7.578 23.095 -15.129 354 HA GLN 64 HA GLN 64 6.118 22.955 -16.785 355 HB2 GLN 64 HB2 GLN 64 5.610 25.030 -17.930 356 HB3 GLN 64 HB3 GLN 64 5.943 25.212 -16.219 357 HG2 GLN 64 HG2 GLN 64 8.355 25.921 -16.966 358 HG3 GLN 64 HG3 GLN 64 7.646 26.102 -18.568 359 HE21 GLN 64 HE22 GLN 64 7.577 27.199 -15.160 360 HE22 GLN 64 HE21 GLN 64 6.781 28.735 -15.503 361 H LEU 65 H LEU 65 8.012 21.316 -17.336 362 HA LEU 65 HA LEU 65 8.885 21.674 -20.122 363 HB2 LEU 65 HB2 LEU 65 10.420 21.344 -18.095 364 HB3 LEU 65 HB3 LEU 65 9.901 19.671 -18.075 365 HG LEU 65 HG LEU 65 10.948 19.316 -20.296 366 HD11 LEU 65 HD11 LEU 65 10.593 21.422 -21.440 367 HD12 LEU 65 HD12 LEU 65 11.568 22.293 -20.230 368 HD13 LEU 65 HD13 LEU 65 12.326 21.124 -21.335 369 HD21 LEU 65 HD21 LEU 65 13.270 19.667 -19.648 370 HD22 LEU 65 HD22 LEU 65 12.805 20.946 -18.506 371 HD23 LEU 65 HD23 LEU 65 12.335 19.270 -18.187 372 H TYR 66 H TYR 66 6.187 20.782 -19.348 373 HA TYR 66 HA TYR 66 5.899 18.127 -20.629 374 HB2 TYR 66 HB2 TYR 66 3.468 18.547 -20.066 375 HB3 TYR 66 HB3 TYR 66 4.555 18.383 -18.704 376 HD1 TYR 66 HD2 TYR 66 2.883 20.989 -20.837 377 HD2 TYR 66 HD1 TYR 66 4.710 20.064 -17.063 378 HE1 TYR 66 HE2 TYR 66 2.130 23.191 -19.948 379 HE2 TYR 66 HE1 TYR 66 3.909 22.246 -16.141 380 HH TYR 66 HH TYR 66 2.765 24.207 -16.569 381 H ASP 67 H ASP 67 4.068 18.012 -22.320 382 HA ASP 67 HA ASP 67 4.719 19.895 -24.456 383 HB2 ASP 67 HB2 ASP 67 4.253 17.439 -24.808 384 HB3 ASP 67 HB3 ASP 67 2.559 17.798 -24.501 385 H GLN 68 H GLN 68 3.433 21.342 -25.458 386 HA GLN 68 HA GLN 68 1.786 23.041 -23.862 387 HB2 GLN 68 HB2 GLN 68 1.875 23.062 -26.897 388 HB3 GLN 68 HB3 GLN 68 1.581 24.392 -25.807 389 HG2 GLN 68 HG2 GLN 68 3.708 24.696 -26.817 390 HG3 GLN 68 HG3 GLN 68 3.973 24.336 -25.108 391 HE21 GLN 68 HE22 GLN 68 3.283 21.797 -27.635 392 HE22 GLN 68 HE21 GLN 68 4.876 21.095 -27.510 393 H GLN 69 H GLN 69 1.008 20.604 -26.361 394 HA GLN 69 HA GLN 69 -1.910 21.135 -26.172 395 HB2 GLN 69 HB2 GLN 69 -0.136 19.643 -28.122 396 HB3 GLN 69 HB3 GLN 69 -1.861 19.318 -28.024 397 HG2 GLN 69 HG2 GLN 69 -1.496 20.905 -29.778 398 HG3 GLN 69 HG3 GLN 69 -2.402 21.666 -28.476 399 HE21 GLN 69 HE22 GLN 69 0.941 21.406 -29.858 400 HE22 GLN 69 HE21 GLN 69 1.364 23.052 -29.413 401 H GLU 70 H GLU 70 0.503 18.859 -25.063 402 HA GLU 70 HA GLU 70 -1.692 17.441 -23.608 403 HB2 GLU 70 HB2 GLU 70 -0.293 15.281 -24.043 404 HB3 GLU 70 HB3 GLU 70 -1.574 15.831 -25.105 405 HG2 GLU 70 HG2 GLU 70 0.066 16.834 -26.663 406 HG3 GLU 70 HG3 GLU 70 1.386 16.278 -25.625 407 H GLN 71 H GLN 71 -1.203 18.588 -21.816 408 HA GLN 71 HA GLN 71 1.219 18.605 -20.364 409 HB2 GLN 71 HB2 GLN 71 -1.703 18.595 -19.488 410 HB3 GLN 71 HB3 GLN 71 -0.372 18.691 -18.348 411 HG2 GLN 71 HG2 GLN 71 -1.019 20.906 -18.640 412 HG3 GLN 71 HG3 GLN 71 0.471 20.743 -19.546 413 HE21 GLN 71 HE22 GLN 71 0.330 20.834 -21.981 414 HE22 GLN 71 HE21 GLN 71 -1.083 21.613 -22.662 415 H HIS 72 H HIS 72 -0.825 15.888 -21.042 416 HA HIS 72 HA HIS 72 -0.162 14.224 -18.843 417 HB2 HIS 72 HB2 HIS 72 -1.604 12.827 -19.833 418 HB3 HIS 72 HB3 HIS 72 -1.854 14.048 -21.052 419 HD2 HIS 72 HD2 HIS 72 -0.507 10.561 -20.572 420 HE1 HIS 72 HE1 HIS 72 0.861 11.687 -24.448 421 HE2 HIS 72 HE2 HIS 72 0.617 9.748 -22.820 422 H MET 73 H MET 73 1.713 15.154 -21.626 423 HA MET 73 HA MET 73 3.698 12.984 -21.223 424 HB2 MET 73 HB2 MET 73 2.772 13.292 -23.496 425 HB3 MET 73 HB3 MET 73 3.367 14.957 -23.513 426 HG2 MET 73 HG2 MET 73 4.889 13.484 -24.729 427 HG3 MET 73 HG3 MET 73 5.683 14.141 -23.303 428 HE1 MET 73 HE1 MET 73 7.217 11.854 -24.600 429 HE2 MET 73 HE2 MET 73 7.597 12.572 -23.016 430 HE3 MET 73 HE3 MET 73 7.529 10.805 -23.202 431 H VAL 74 H VAL 74 5.737 13.398 -20.495 432 HA VAL 74 HA VAL 74 6.485 16.217 -19.798 433 HB VAL 74 HB VAL 74 6.960 13.707 -18.152 434 HG11 VAL 74 HG11 VAL 74 7.485 16.662 -17.598 435 HG12 VAL 74 HG12 VAL 74 7.616 15.349 -16.406 436 HG13 VAL 74 HG13 VAL 74 8.706 15.381 -17.784 437 HG21 VAL 74 HG21 VAL 74 4.974 15.988 -17.753 438 HG22 VAL 74 HG22 VAL 74 4.572 14.287 -18.075 439 HG23 VAL 74 HG23 VAL 74 5.345 14.724 -16.556 440 H TYR 75 H TYR 75 8.460 16.858 -20.384 441 HA TYR 75 HA TYR 75 10.527 14.894 -21.281 442 HB2 TYR 75 HB2 TYR 75 10.011 17.756 -22.167 443 HB3 TYR 75 HB3 TYR 75 11.404 16.784 -22.627 444 HD1 TYR 75 HD2 TYR 75 11.005 14.487 -23.665 445 HD2 TYR 75 HD1 TYR 75 7.953 17.527 -23.420 446 HE1 TYR 75 HE2 TYR 75 9.667 13.255 -25.310 447 HE2 TYR 75 HE1 TYR 75 6.626 16.322 -25.158 448 HH TYR 75 HH TYR 75 7.764 13.272 -26.669 449 H CYS 76 H CYS 76 12.698 15.471 -20.830 450 HA CYS 76 HA CYS 76 13.266 17.299 -18.527 451 HB2 CYS 76 HB2 CYS 76 14.042 14.417 -18.881 452 HB3 CYS 76 HB3 CYS 76 14.489 15.423 -17.491 453 HG CYS 76 HG CYS 76 11.705 15.923 -17.140 454 H GLY 77 H GLY 77 13.947 17.533 -21.451 455 HA2 GLY 77 HA2 GLY 77 16.298 16.424 -22.300 456 HA3 GLY 77 HA3 GLY 77 15.750 18.013 -22.811 457 H GLY 78 H GLY 78 18.151 16.267 -21.178 458 HA2 GLY 78 HA2 GLY 78 20.199 16.840 -20.324 459 HA3 GLY 78 HA3 GLY 78 19.941 18.502 -20.857 460 H ASP 79 H ASP 79 17.517 17.236 -18.640 461 HA ASP 79 HA ASP 79 18.378 19.227 -16.664 462 HB2 ASP 79 HB2 ASP 79 16.044 19.094 -17.598 463 HB3 ASP 79 HB3 ASP 79 15.846 17.560 -16.750 464 H LEU 80 H LEU 80 18.499 18.834 -14.433 465 HA LEU 80 HA LEU 80 19.930 16.535 -13.590 466 HB2 LEU 80 HB2 LEU 80 18.488 18.734 -12.084 467 HB3 LEU 80 HB3 LEU 80 19.255 17.360 -11.291 468 HG LEU 80 HG LEU 80 21.437 17.906 -12.275 469 HD11 LEU 80 HD11 LEU 80 20.039 20.438 -13.252 470 HD12 LEU 80 HD12 LEU 80 21.799 20.221 -13.151 471 HD13 LEU 80 HD13 LEU 80 20.868 19.216 -14.255 472 HD21 LEU 80 HD21 LEU 80 20.106 20.153 -10.700 473 HD22 LEU 80 HD22 LEU 80 20.790 18.660 -10.017 474 HD23 LEU 80 HD23 LEU 80 21.853 19.836 -10.800 475 H LEU 81 H LEU 81 16.434 17.077 -13.825 476 HA LEU 81 HA LEU 81 15.663 14.792 -12.219 477 HB2 LEU 81 HB2 LEU 81 14.122 16.598 -12.689 478 HB3 LEU 81 HB3 LEU 81 14.263 16.344 -14.430 479 HG LEU 81 HG LEU 81 13.211 14.073 -14.139 480 HD11 LEU 81 HD11 LEU 81 12.657 15.054 -11.301 481 HD12 LEU 81 HD12 LEU 81 12.068 13.546 -12.049 482 HD13 LEU 81 HD13 LEU 81 13.786 13.753 -11.715 483 HD21 LEU 81 HD21 LEU 81 11.903 16.141 -14.728 484 HD22 LEU 81 HD22 LEU 81 10.971 14.875 -13.922 485 HD23 LEU 81 HD23 LEU 81 11.495 16.303 -13.008 486 H GLY 82 H GLY 82 16.452 15.198 -15.698 487 HA2 GLY 82 HA2 GLY 82 15.834 12.465 -16.494 488 HA3 GLY 82 HA3 GLY 82 16.869 13.620 -17.350 489 H GLU 83 H GLU 83 18.809 14.147 -15.242 490 HA GLU 83 HA GLU 83 20.532 11.883 -15.395 491 HB2 GLU 83 HB2 GLU 83 21.377 14.088 -15.346 492 HB3 GLU 83 HB3 GLU 83 20.436 14.513 -13.912 493 HG2 GLU 83 HG2 GLU 83 21.702 13.150 -12.509 494 HG3 GLU 83 HG3 GLU 83 22.558 12.398 -13.872 495 H LEU 84 H LEU 84 18.353 13.076 -12.790 496 HA LEU 84 HA LEU 84 19.057 11.164 -10.818 497 HB2 LEU 84 HB2 LEU 84 17.884 13.200 -10.279 498 HB3 LEU 84 HB3 LEU 84 16.550 12.792 -11.344 499 HG LEU 84 HG LEU 84 15.883 10.937 -9.862 500 HD11 LEU 84 HD11 LEU 84 16.787 10.714 -7.622 501 HD12 LEU 84 HD12 LEU 84 18.095 10.462 -8.783 502 HD13 LEU 84 HD13 LEU 84 17.955 12.010 -7.912 503 HD21 LEU 84 HD21 LEU 84 15.004 12.344 -8.051 504 HD22 LEU 84 HD22 LEU 84 16.158 13.630 -8.467 505 HD23 LEU 84 HD23 LEU 84 14.879 13.167 -9.612 506 H LEU 85 H LEU 85 16.429 11.097 -13.251 507 HA LEU 85 HA LEU 85 15.502 8.444 -12.478 508 HB2 LEU 85 HB2 LEU 85 14.847 10.444 -14.634 509 HB3 LEU 85 HB3 LEU 85 14.383 8.772 -14.890 510 HG LEU 85 HG LEU 85 13.047 8.727 -12.860 511 HD11 LEU 85 HD11 LEU 85 12.516 10.815 -11.640 512 HD12 LEU 85 HD12 LEU 85 14.217 10.368 -11.451 513 HD13 LEU 85 HD13 LEU 85 13.768 11.660 -12.578 514 HD21 LEU 85 HD21 LEU 85 12.434 11.160 -14.593 515 HD22 LEU 85 HD22 LEU 85 12.078 9.485 -15.037 516 HD23 LEU 85 HD23 LEU 85 11.262 10.216 -13.644 517 H GLY 86 H GLY 86 17.931 9.563 -14.786 518 HA2 GLY 86 HA2 GLY 86 19.443 8.329 -16.065 519 HA3 GLY 86 HA3 GLY 86 18.685 6.812 -15.555 520 H ARG 87 H ARG 87 16.308 8.902 -16.465 521 HA ARG 87 HA ARG 87 16.146 8.443 -19.384 522 HB2 ARG 87 HB2 ARG 87 14.116 7.561 -17.259 523 HB3 ARG 87 HB3 ARG 87 13.646 7.822 -18.945 524 HG2 ARG 87 HG2 ARG 87 15.063 6.085 -19.720 525 HG3 ARG 87 HG3 ARG 87 15.794 5.855 -18.108 526 HD2 ARG 87 HD2 ARG 87 13.295 5.447 -17.358 527 HD3 ARG 87 HD3 ARG 87 13.031 5.060 -19.057 528 HE ARG 87 HE ARG 87 14.462 3.520 -16.992 529 HH11 ARG 87 HH11 ARG 87 14.145 3.720 -20.498 530 HH12 ARG 87 HH12 ARG 87 14.633 2.057 -20.680 531 HH21 ARG 87 HH21 ARG 87 14.995 1.579 -17.263 532 HH22 ARG 87 HH22 ARG 87 15.143 0.827 -18.855 533 H GLN 88 H GLN 88 15.305 10.131 -20.370 534 HA GLN 88 HA GLN 88 14.466 12.358 -18.596 535 HB2 GLN 88 HB2 GLN 88 15.832 13.804 -19.736 536 HB3 GLN 88 HB3 GLN 88 16.748 12.315 -19.758 537 HG2 GLN 88 HG2 GLN 88 15.720 11.879 -22.057 538 HG3 GLN 88 HG3 GLN 88 15.118 13.563 -21.962 539 HE21 GLN 88 HE22 GLN 88 17.426 11.964 -23.571 540 HE22 GLN 88 HE21 GLN 88 18.739 13.126 -23.464 541 H SER 89 H SER 89 12.684 10.304 -20.084 542 HA SER 89 HA SER 89 10.641 12.369 -20.325 543 HB2 SER 89 HB2 SER 89 9.762 11.820 -22.498 544 HB3 SER 89 HB3 SER 89 11.411 12.418 -22.633 545 HG SER 89 HG SER 89 12.140 10.283 -22.936 546 H PHE 90 H PHE 90 8.555 11.706 -20.030 547 HA PHE 90 HA PHE 90 7.741 8.924 -19.863 548 HB2 PHE 90 HB2 PHE 90 7.231 8.964 -17.427 549 HB3 PHE 90 HB3 PHE 90 8.935 8.957 -17.779 550 HD1 PHE 90 HD2 PHE 90 6.166 10.981 -16.406 551 HD2 PHE 90 HD1 PHE 90 10.401 10.807 -17.216 552 HE1 PHE 90 HE2 PHE 90 6.545 12.893 -14.872 553 HE2 PHE 90 HE1 PHE 90 10.774 12.721 -15.685 554 HZ PHE 90 HZ PHE 90 8.853 13.763 -14.506 555 H SER 91 H SER 91 5.434 8.803 -18.907 556 HA SER 91 HA SER 91 3.939 11.357 -19.128 557 HB2 SER 91 HB2 SER 91 2.380 10.570 -20.679 558 HB3 SER 91 HB3 SER 91 3.927 10.043 -21.349 559 HG SER 91 HG SER 91 2.713 8.236 -21.418 560 H VAL 92 H VAL 92 1.642 11.087 -18.353 561 HA VAL 92 HA VAL 92 1.555 9.491 -15.906 562 HB VAL 92 HB VAL 92 -0.675 10.361 -15.560 563 HG11 VAL 92 HG11 VAL 92 1.353 11.709 -15.000 564 HG12 VAL 92 HG12 VAL 92 1.186 12.566 -16.548 565 HG13 VAL 92 HG13 VAL 92 -0.088 12.684 -15.325 566 HG21 VAL 92 HG21 VAL 92 -1.537 10.385 -17.877 567 HG22 VAL 92 HG22 VAL 92 -1.685 11.977 -17.121 568 HG23 VAL 92 HG23 VAL 92 -0.386 11.677 -18.291 569 H LYS 93 H LYS 93 1.081 8.570 -19.093 570 HA LYS 93 HA LYS 93 -0.716 6.280 -18.394 571 HB2 LYS 93 HB2 LYS 93 0.275 7.341 -21.068 572 HB3 LYS 93 HB3 LYS 93 -0.632 5.837 -20.859 573 HG2 LYS 93 HG2 LYS 93 -2.530 7.073 -19.870 574 HG3 LYS 93 HG3 LYS 93 -1.638 8.587 -20.000 575 HD2 LYS 93 HD2 LYS 93 -3.215 8.495 -21.798 576 HD3 LYS 93 HD3 LYS 93 -1.593 8.341 -22.486 577 HE2 LYS 93 HE2 LYS 93 -1.897 5.877 -22.659 578 HE3 LYS 93 HE3 LYS 93 -3.493 6.016 -21.911 579 HZ1 LYS 93 HZ1 LYS 93 -4.201 7.358 -23.827 580 HZ2 LYS 93 HZ2 LYS 93 -2.725 7.230 -24.520 581 HZ3 LYS 93 HZ3 LYS 93 -3.659 5.906 -24.333 582 H ASP 94 H ASP 94 2.622 7.046 -19.186 583 HA ASP 94 HA ASP 94 3.368 4.294 -18.317 584 HB2 ASP 94 HB2 ASP 94 3.616 4.387 -20.735 585 HB3 ASP 94 HB3 ASP 94 4.635 5.824 -20.602 586 HA PRO 95 HA PRO 95 5.520 7.435 -15.706 587 HB2 PRO 95 HB2 PRO 95 4.668 6.686 -13.250 588 HB3 PRO 95 HB3 PRO 95 3.614 7.583 -14.381 589 HG2 PRO 95 HG2 PRO 95 3.718 4.567 -13.958 590 HG3 PRO 95 HG3 PRO 95 2.277 5.632 -13.886 591 HD2 PRO 95 HD2 PRO 95 2.967 4.273 -16.146 592 HD3 PRO 95 HD3 PRO 95 2.258 5.914 -16.220 593 H SER 96 H SER 96 6.027 4.264 -16.442 594 HA SER 96 HA SER 96 7.328 2.936 -14.485 595 HB2 SER 96 HB2 SER 96 8.297 3.002 -17.365 596 HB3 SER 96 HB3 SER 96 8.580 1.733 -16.169 597 HG SER 96 HG SER 96 6.292 2.386 -17.623 598 HA PRO 97 HA PRO 97 11.643 5.041 -15.288 599 HB2 PRO 97 HB2 PRO 97 10.556 7.833 -15.766 600 HB3 PRO 97 HB3 PRO 97 12.138 7.147 -16.257 601 HG2 PRO 97 HG2 PRO 97 10.192 7.199 -18.092 602 HG3 PRO 97 HG3 PRO 97 11.013 5.633 -17.834 603 HD2 PRO 97 HD2 PRO 97 8.416 6.578 -16.584 604 HD3 PRO 97 HD3 PRO 97 8.734 5.068 -17.484 605 H LEU 98 H LEU 98 8.969 6.663 -13.567 606 HA LEU 98 HA LEU 98 10.433 7.721 -11.313 607 HB2 LEU 98 HB2 LEU 98 8.080 8.287 -11.838 608 HB3 LEU 98 HB3 LEU 98 7.617 6.599 -11.696 609 HG LEU 98 HG LEU 98 8.170 6.676 -9.245 610 HD11 LEU 98 HD11 LEU 98 8.286 8.849 -8.146 611 HD12 LEU 98 HD12 LEU 98 9.598 8.743 -9.337 612 HD13 LEU 98 HD13 LEU 98 8.152 9.682 -9.710 613 HD21 LEU 98 HD21 LEU 98 6.083 7.798 -8.650 614 HD22 LEU 98 HD22 LEU 98 6.034 8.609 -10.237 615 HD23 LEU 98 HD23 LEU 98 5.865 6.847 -10.120 616 H TYR 99 H TYR 99 8.770 4.610 -11.860 617 HA TYR 99 HA TYR 99 9.650 3.544 -9.352 618 HB2 TYR 99 HB2 TYR 99 8.430 2.112 -11.762 619 HB3 TYR 99 HB3 TYR 99 8.560 1.466 -10.133 620 HD1 TYR 99 HD2 TYR 99 7.206 2.423 -8.263 621 HD2 TYR 99 HD1 TYR 99 6.669 3.706 -12.352 622 HE1 TYR 99 HE2 TYR 99 5.022 3.452 -7.658 623 HE2 TYR 99 HE1 TYR 99 4.494 4.737 -11.737 624 HH TYR 99 HH TYR 99 3.179 4.616 -8.405 625 H ASP 100 H ASP 100 10.957 3.296 -12.654 626 HA ASP 100 HA ASP 100 12.893 1.283 -12.117 627 HB2 ASP 100 HB2 ASP 100 12.155 2.368 -14.342 628 HB3 ASP 100 HB3 ASP 100 13.242 3.690 -13.965 629 H MET 101 H MET 101 12.903 4.759 -11.388 630 HA MET 101 HA MET 101 15.628 4.838 -10.344 631 HB2 MET 101 HB2 MET 101 14.966 6.931 -10.939 632 HB3 MET 101 HB3 MET 101 13.262 6.644 -10.615 633 HG2 MET 101 HG2 MET 101 13.747 6.747 -8.179 634 HG3 MET 101 HG3 MET 101 15.397 7.262 -8.577 635 HE1 MET 101 HE1 MET 101 12.152 8.512 -7.248 636 HE2 MET 101 HE2 MET 101 11.508 9.654 -8.423 637 HE3 MET 101 HE3 MET 101 11.593 7.905 -8.824 638 H LEU 102 H LEU 102 12.332 4.346 -8.943 639 HA LEU 102 HA LEU 102 13.418 4.298 -6.249 640 HB2 LEU 102 HB2 LEU 102 10.659 3.641 -7.334 641 HB3 LEU 102 HB3 LEU 102 11.052 3.742 -5.618 642 HG LEU 102 HG LEU 102 11.502 6.064 -7.528 643 HD11 LEU 102 HD11 LEU 102 9.086 5.415 -7.388 644 HD12 LEU 102 HD12 LEU 102 9.183 5.680 -5.632 645 HD13 LEU 102 HD13 LEU 102 9.450 7.029 -6.759 646 HD21 LEU 102 HD21 LEU 102 12.837 6.194 -5.484 647 HD22 LEU 102 HD22 LEU 102 11.558 7.384 -5.438 648 HD23 LEU 102 HD23 LEU 102 11.384 5.893 -4.492 649 H ARG 103 H ARG 103 12.546 1.676 -8.458 650 HA ARG 103 HA ARG 103 12.600 -0.466 -6.655 651 HB2 ARG 103 HB2 ARG 103 12.888 -1.891 -8.606 652 HB3 ARG 103 HB3 ARG 103 11.810 -0.548 -8.974 653 HG2 ARG 103 HG2 ARG 103 12.965 -0.688 -10.885 654 HG3 ARG 103 HG3 ARG 103 13.816 0.597 -10.041 655 HD2 ARG 103 HD2 ARG 103 15.662 -0.974 -9.510 656 HD3 ARG 103 HD3 ARG 103 14.747 -2.288 -10.282 657 HE ARG 103 HE ARG 103 14.991 -0.133 -12.147 658 HH11 ARG 103 HH11 ARG 103 17.186 -2.484 -10.711 659 HH12 ARG 103 HH12 ARG 103 18.246 -2.409 -12.092 660 HH21 ARG 103 HH21 ARG 103 16.229 -0.136 -13.767 661 HH22 ARG 103 HH22 ARG 103 17.726 -1.074 -13.840 662 H LYS 104 H LYS 104 15.241 1.232 -8.006 663 HA LYS 104 HA LYS 104 17.420 -0.504 -7.130 664 HB2 LYS 104 HB2 LYS 104 17.545 0.998 -9.063 665 HB3 LYS 104 HB3 LYS 104 17.279 2.405 -8.024 666 HG2 LYS 104 HG2 LYS 104 19.434 2.104 -6.947 667 HG3 LYS 104 HG3 LYS 104 19.671 0.541 -7.748 668 HD2 LYS 104 HD2 LYS 104 21.003 2.319 -8.797 669 HD3 LYS 104 HD3 LYS 104 19.836 1.625 -9.931 670 HE2 LYS 104 HE2 LYS 104 18.327 3.551 -9.622 671 HE3 LYS 104 HE3 LYS 104 19.388 4.215 -8.373 672 HZ1 LYS 104 HZ1 LYS 104 21.131 4.468 -10.075 673 HZ2 LYS 104 HZ2 LYS 104 20.158 3.850 -11.232 674 HZ3 LYS 104 HZ3 LYS 104 19.794 5.281 -10.533 675 H ASN 105 H ASN 105 15.529 1.994 -5.574 676 HA ASN 105 HA ASN 105 17.526 2.302 -3.375 677 HB2 ASN 105 HB2 ASN 105 15.197 4.010 -4.322 678 HB3 ASN 105 HB3 ASN 105 16.052 4.265 -2.798 679 HD21 ASN 105 HD22 ASN 105 16.370 4.574 -6.353 680 HD22 ASN 105 HD21 ASN 105 17.890 5.438 -6.219 681 H LEU 106 H LEU 106 13.968 1.661 -3.695 682 HA LEU 106 HA LEU 106 14.184 0.021 -1.225 683 HB2 LEU 106 HB2 LEU 106 12.054 0.627 -0.478 684 HB3 LEU 106 HB3 LEU 106 12.954 2.112 -0.694 685 HG LEU 106 HG LEU 106 11.047 1.148 -2.864 686 HD11 LEU 106 HD11 LEU 106 9.224 2.381 -1.831 687 HD12 LEU 106 HD12 LEU 106 9.774 1.094 -0.749 688 HD13 LEU 106 HD13 LEU 106 10.245 2.776 -0.433 689 HD21 LEU 106 HD21 LEU 106 10.747 3.563 -3.258 690 HD22 LEU 106 HD22 LEU 106 11.843 3.930 -1.913 691 HD23 LEU 106 HD23 LEU 106 12.457 3.133 -3.379 692 H VAL 107 H VAL 107 12.640 -1.731 -1.080 693 HA VAL 107 HA VAL 107 12.499 -3.191 -3.594 694 HB VAL 107 HB VAL 107 11.780 -5.104 -2.208 695 HG11 VAL 107 HG11 VAL 107 14.251 -3.663 -1.168 696 HG12 VAL 107 HG12 VAL 107 13.908 -5.402 -1.075 697 HG13 VAL 107 HG13 VAL 107 14.155 -4.636 -2.652 698 HG21 VAL 107 HG21 VAL 107 10.604 -3.857 -0.369 699 HG22 VAL 107 HG22 VAL 107 11.824 -4.991 0.220 700 HG23 VAL 107 HG23 VAL 107 12.177 -3.256 0.197 701 H THR 108 H THR 108 10.849 -1.075 -3.904 702 HA THR 108 HA THR 108 8.042 -1.960 -3.549 703 HB THR 108 HB THR 108 8.700 0.379 -3.114 704 HG1 THR 108 HG1 THR 108 6.607 0.150 -3.367 705 HG21 THR 108 HG21 THR 108 8.905 1.980 -4.917 706 HG22 THR 108 HG22 THR 108 10.210 0.787 -5.080 707 HG23 THR 108 HG23 THR 108 8.785 0.702 -6.138 708 H LEU 109 H LEU 109 6.662 -1.310 -5.541 709 HA LEU 109 HA LEU 109 7.202 -3.392 -7.550 710 HB2 LEU 109 HB2 LEU 109 4.910 -1.415 -7.212 711 HB3 LEU 109 HB3 LEU 109 4.953 -2.678 -8.435 712 HG LEU 109 HG LEU 109 4.958 -3.189 -5.425 713 HD11 LEU 109 HD11 LEU 109 2.735 -3.468 -7.491 714 HD12 LEU 109 HD12 LEU 109 2.639 -3.927 -5.775 715 HD13 LEU 109 HD13 LEU 109 2.835 -2.226 -6.222 716 HD21 LEU 109 HD21 LEU 109 4.420 -5.528 -6.090 717 HD22 LEU 109 HD22 LEU 109 4.673 -5.094 -7.795 718 HD23 LEU 109 HD23 LEU 109 6.026 -5.045 -6.639 719 H ALA 110 H ALA 110 7.251 -3.108 -9.799 720 HA ALA 110 HA ALA 110 7.485 -0.425 -10.959 721 HB1 ALA 110 HB1 ALA 110 9.707 -2.484 -11.245 722 HB2 ALA 110 HB2 ALA 110 9.601 -0.929 -12.095 723 HB3 ALA 110 HB3 ALA 110 9.824 -0.954 -10.329 724 H THR 111 H THR 111 7.710 -0.545 -13.380 725 HA THR 111 HA THR 111 6.570 -2.908 -14.702 726 HB THR 111 HB THR 111 4.727 -1.888 -13.440 727 HG1 THR 111 HG1 THR 111 3.312 -2.042 -15.199 728 HG21 THR 111 HG21 THR 111 5.292 0.533 -13.687 729 HG22 THR 111 HG22 THR 111 4.857 0.437 -15.409 730 HG23 THR 111 HG23 THR 111 3.632 0.152 -14.159 731 HD1 49H 200 HD1 49H 200 1.305 13.787 -13.394 732 HD2 49H 200 HD2 49H 200 1.736 12.426 -9.328 733 HD3 49H 200 HD3 49H 200 0.051 11.015 -13.019 734 HD4 49H 200 HD4 49H 200 -1.523 10.953 -9.016 735 HD5 49H 200 HD5 49H 200 -3.154 13.294 -14.578 736 HE1 49H 200 HE1 49H 200 3.540 12.894 -13.927 737 HE2 49H 200 HE2 49H 200 3.979 11.533 -9.885 738 HE4 49H 200 HE4 49H 200 -0.896 8.568 -8.808 739 HE5 49H 200 HE5 49H 200 -3.633 14.117 -16.818 740 HE6 49H 200 HE6 49H 200 -0.470 16.971 -16.493 741 HZ2 49H 200 HZ2 49H 200 0.224 7.406 -10.699 742 HM11 49H 200 HM11 49H 200 -4.407 16.067 -18.257 743 HM12 49H 200 HM12 49H 200 -3.486 16.390 -19.752 744 HM13 49H 200 HM13 49H 200 -3.494 14.748 -19.055 745 HM21 49H 200 HM21 49H 200 1.576 15.332 -16.360 746 HM22 49H 200 HM22 49H 200 3.072 16.242 -16.148 747 HM23 49H 200 HM23 49H 200 2.658 14.948 -15.017 748 HM31 49H 200 HM31 49H 200 1.929 17.991 -12.960 749 HM32 49H 200 HM32 49H 200 2.777 16.438 -12.983 750 HM33 49H 200 HM33 49H 200 3.329 17.771 -14.012 751 HN1 49H 200 HN1 49H 200 -3.694 19.467 -13.503 752 H21 49H 200 H21 49H 200 -4.555 17.308 -12.923 753 H22 49H 200 H22 49H 200 -3.143 16.944 -13.931 754 H31 49H 200 H31 49H 200 -3.287 17.003 -10.889 755 H32 49H 200 H32 49H 200 -3.040 15.587 -11.882 756 H41 49H 200 H41 49H 200 -0.112 18.627 -11.981 757 H42 49H 200 H42 49H 200 -1.157 18.690 -10.543 758 H7 49H 200 H7 49H 200 -1.955 12.826 -10.401 759 H8 49H 200 H8 49H 200 -0.065 13.986 -9.914 760 H9 49H 200 H9 49H 200 1.208 17.655 -15.328 Start of MODEL 14 1 H1 GLN 23 H GLN 23 16.001 3.622 10.875 2 HA GLN 23 HA GLN 23 15.235 6.191 9.775 3 HB2 GLN 23 HB2 GLN 23 17.517 5.719 8.767 4 HB3 GLN 23 HB3 GLN 23 16.807 4.326 7.949 5 HG2 GLN 23 HG2 GLN 23 15.249 5.864 6.738 6 HG3 GLN 23 HG3 GLN 23 15.941 7.240 7.607 7 HE21 GLN 23 HE22 GLN 23 16.612 4.722 5.144 8 HE22 GLN 23 HE21 GLN 23 18.007 5.555 4.475 9 H ILE 24 H ILE 24 13.436 6.063 8.335 10 HA ILE 24 HA ILE 24 11.685 3.766 8.578 11 HB ILE 24 HB ILE 24 10.320 5.083 6.908 12 HG12 ILE 24 HG12 ILE 24 12.453 7.238 7.360 13 HG13 ILE 24 HG13 ILE 24 12.100 6.418 5.845 14 HG21 ILE 24 HG21 ILE 24 11.006 6.542 9.476 15 HG22 ILE 24 HG22 ILE 24 9.481 6.611 8.551 16 HG23 ILE 24 HG23 ILE 24 9.957 5.108 9.340 17 HD11 ILE 24 HD11 ILE 24 11.090 8.571 5.718 18 HD12 ILE 24 HD12 ILE 24 9.738 7.458 6.027 19 HD13 ILE 24 HD13 ILE 24 10.401 8.442 7.344 20 H ASN 25 H ASN 25 10.560 2.875 6.697 21 HA ASN 25 HA ASN 25 12.462 1.459 5.105 22 HB2 ASN 25 HB2 ASN 25 9.433 1.272 5.027 23 HB3 ASN 25 HB3 ASN 25 10.595 0.027 4.556 24 HD21 ASN 25 HD22 ASN 25 12.274 -0.400 6.595 25 HD22 ASN 25 HD21 ASN 25 11.429 -0.595 8.122 26 H GLN 26 H GLN 26 12.571 4.033 4.336 27 HA GLN 26 HA GLN 26 11.384 4.333 1.603 28 HB2 GLN 26 HB2 GLN 26 11.673 6.660 3.502 29 HB3 GLN 26 HB3 GLN 26 10.685 6.488 2.055 30 HG2 GLN 26 HG2 GLN 26 10.210 5.253 4.765 31 HG3 GLN 26 HG3 GLN 26 9.249 6.509 4.026 32 HE21 GLN 26 HE22 GLN 26 8.267 3.917 5.032 33 HE22 GLN 26 HE21 GLN 26 7.714 3.007 3.638 34 H VAL 27 H VAL 27 12.405 6.628 0.832 35 HA VAL 27 HA VAL 27 15.245 5.928 0.402 36 HB VAL 27 HB VAL 27 13.818 8.074 -1.144 37 HG11 VAL 27 HG11 VAL 27 16.145 7.792 -1.753 38 HG12 VAL 27 HG12 VAL 27 15.939 6.033 -1.901 39 HG13 VAL 27 HG13 VAL 27 15.164 7.145 -3.042 40 HG21 VAL 27 HG21 VAL 27 13.043 6.417 -2.810 41 HG22 VAL 27 HG22 VAL 27 13.427 5.114 -1.674 42 HG23 VAL 27 HG23 VAL 27 12.165 6.309 -1.293 43 H ARG 28 H ARG 28 16.681 7.897 -0.016 44 HA ARG 28 HA ARG 28 16.214 10.442 1.052 45 HB2 ARG 28 HB2 ARG 28 16.667 9.499 3.254 46 HB3 ARG 28 HB3 ARG 28 18.119 8.676 2.672 47 HG2 ARG 28 HG2 ARG 28 19.306 10.760 2.405 48 HG3 ARG 28 HG3 ARG 28 17.824 11.709 2.599 49 HD2 ARG 28 HD2 ARG 28 19.271 11.837 4.566 50 HD3 ARG 28 HD3 ARG 28 17.672 11.205 4.911 51 HE ARG 28 HE ARG 28 18.525 9.070 5.393 52 HH11 ARG 28 HH11 ARG 28 21.232 11.064 4.351 53 HH12 ARG 28 HH12 ARG 28 22.391 9.906 4.944 54 HH21 ARG 28 HH21 ARG 28 19.973 7.709 6.076 55 HH22 ARG 28 HH22 ARG 28 21.695 8.017 5.919 56 HA PRO 29 HA PRO 29 19.463 10.468 -2.066 57 HB2 PRO 29 HB2 PRO 29 19.277 13.234 -2.616 58 HB3 PRO 29 HB3 PRO 29 18.198 11.959 -3.234 59 HG2 PRO 29 HG2 PRO 29 17.433 14.047 -1.434 60 HG3 PRO 29 HG3 PRO 29 16.532 12.582 -1.858 61 HD2 PRO 29 HD2 PRO 29 18.359 13.024 0.489 62 HD3 PRO 29 HD3 PRO 29 16.763 12.250 0.442 63 H LYS 30 H LYS 30 21.359 11.584 -2.911 64 HA LYS 30 HA LYS 30 23.265 12.590 -0.871 65 HB2 LYS 30 HB2 LYS 30 23.780 10.898 -2.769 66 HB3 LYS 30 HB3 LYS 30 23.714 12.276 -3.871 67 HG2 LYS 30 HG2 LYS 30 25.556 13.359 -2.505 68 HG3 LYS 30 HG3 LYS 30 25.587 11.915 -1.481 69 HD2 LYS 30 HD2 LYS 30 26.162 10.533 -3.470 70 HD3 LYS 30 HD3 LYS 30 26.129 11.992 -4.487 71 HE2 LYS 30 HE2 LYS 30 27.946 12.990 -3.115 72 HE3 LYS 30 HE3 LYS 30 27.966 11.554 -2.084 73 HZ1 LYS 30 HZ1 LYS 30 29.703 11.444 -3.780 74 HZ2 LYS 30 HZ2 LYS 30 28.635 10.240 -4.032 75 HZ3 LYS 30 HZ3 LYS 30 28.618 11.566 -4.990 76 H LEU 31 H LEU 31 24.318 14.715 -1.240 77 HA LEU 31 HA LEU 31 22.623 16.859 -1.282 78 HB2 LEU 31 HB2 LEU 31 25.575 16.612 -1.876 79 HB3 LEU 31 HB3 LEU 31 24.781 18.168 -2.069 80 HG LEU 31 HG LEU 31 24.027 18.152 0.264 81 HD11 LEU 31 HD11 LEU 31 25.028 16.552 1.883 82 HD12 LEU 31 HD12 LEU 31 23.889 15.768 0.793 83 HD13 LEU 31 HD13 LEU 31 25.647 15.581 0.532 84 HD21 LEU 31 HD21 LEU 31 27.014 17.650 -0.069 85 HD22 LEU 31 HD22 LEU 31 26.176 19.188 -0.372 86 HD23 LEU 31 HD23 LEU 31 26.240 18.528 1.269 87 HA PRO 32 HA PRO 32 23.095 18.030 -5.878 88 HB2 PRO 32 HB2 PRO 32 23.868 16.182 -7.765 89 HB3 PRO 32 HB3 PRO 32 24.980 17.274 -6.892 90 HG2 PRO 32 HG2 PRO 32 24.308 14.399 -6.208 91 HG3 PRO 32 HG3 PRO 32 25.929 15.153 -6.353 92 HD2 PRO 32 HD2 PRO 32 24.765 14.854 -3.961 93 HD3 PRO 32 HD3 PRO 32 25.645 16.361 -4.332 94 H LEU 33 H LEU 33 21.926 14.808 -5.039 95 HA LEU 33 HA LEU 33 19.715 14.900 -7.000 96 HB2 LEU 33 HB2 LEU 33 20.514 12.959 -4.804 97 HB3 LEU 33 HB3 LEU 33 18.946 12.878 -5.596 98 HG LEU 33 HG LEU 33 20.030 12.575 -7.799 99 HD11 LEU 33 HD11 LEU 33 22.616 12.406 -6.197 100 HD12 LEU 33 HD12 LEU 33 22.416 11.852 -7.873 101 HD13 LEU 33 HD13 LEU 33 22.232 13.563 -7.501 102 HD21 LEU 33 HD21 LEU 33 19.290 10.659 -6.424 103 HD22 LEU 33 HD22 LEU 33 20.707 10.252 -7.403 104 HD23 LEU 33 HD23 LEU 33 20.897 10.581 -5.666 105 H LEU 34 H LEU 34 20.163 15.465 -3.518 106 HA LEU 34 HA LEU 34 17.398 15.978 -2.837 107 HB2 LEU 34 HB2 LEU 34 19.242 15.428 -1.251 108 HB3 LEU 34 HB3 LEU 34 20.091 16.894 -1.646 109 HG LEU 34 HG LEU 34 17.324 17.077 -0.397 110 HD11 LEU 34 HD11 LEU 34 19.967 16.692 1.069 111 HD12 LEU 34 HD12 LEU 34 18.402 17.087 1.815 112 HD13 LEU 34 HD13 LEU 34 18.626 15.527 1.015 113 HD21 LEU 34 HD21 LEU 34 19.809 18.846 -0.255 114 HD22 LEU 34 HD22 LEU 34 18.315 19.213 -1.143 115 HD23 LEU 34 HD23 LEU 34 18.285 19.130 0.611 116 H LYS 35 H LYS 35 19.976 18.235 -3.984 117 HA LYS 35 HA LYS 35 18.369 20.539 -3.491 118 HB2 LYS 35 HB2 LYS 35 19.896 21.870 -4.492 119 HB3 LYS 35 HB3 LYS 35 20.599 20.671 -3.416 120 HG2 LYS 35 HG2 LYS 35 21.156 19.335 -5.608 121 HG3 LYS 35 HG3 LYS 35 20.801 20.878 -6.442 122 HD2 LYS 35 HD2 LYS 35 22.260 21.988 -4.666 123 HD3 LYS 35 HD3 LYS 35 22.722 20.366 -4.140 124 HE2 LYS 35 HE2 LYS 35 23.685 19.918 -6.424 125 HE3 LYS 35 HE3 LYS 35 23.151 21.512 -6.961 126 HZ1 LYS 35 HZ1 LYS 35 25.501 21.538 -6.337 127 HZ2 LYS 35 HZ2 LYS 35 24.667 22.512 -5.333 128 HZ3 LYS 35 HZ3 LYS 35 25.168 21.043 -4.818 129 H ILE 36 H ILE 36 18.329 18.406 -6.217 130 HA ILE 36 HA ILE 36 16.806 19.993 -8.085 131 HB ILE 36 HB ILE 36 16.805 16.983 -7.604 132 HG12 ILE 36 HG12 ILE 36 18.350 18.535 -9.719 133 HG13 ILE 36 HG13 ILE 36 19.058 18.097 -8.179 134 HG21 ILE 36 HG21 ILE 36 15.945 16.753 -9.894 135 HG22 ILE 36 HG22 ILE 36 14.828 17.722 -8.950 136 HG23 ILE 36 HG23 ILE 36 15.938 18.513 -10.090 137 HD11 ILE 36 HD11 ILE 36 18.080 16.147 -10.285 138 HD12 ILE 36 HD12 ILE 36 19.738 16.408 -9.701 139 HD13 ILE 36 HD13 ILE 36 18.531 15.695 -8.624 140 H LEU 37 H LEU 37 15.762 17.624 -5.561 141 HA LEU 37 HA LEU 37 12.973 18.369 -5.886 142 HB2 LEU 37 HB2 LEU 37 14.484 16.480 -4.030 143 HB3 LEU 37 HB3 LEU 37 12.848 16.828 -3.723 144 HG LEU 37 HG LEU 37 13.701 16.075 -6.555 145 HD11 LEU 37 HD11 LEU 37 13.255 13.756 -6.162 146 HD12 LEU 37 HD12 LEU 37 14.516 14.294 -5.040 147 HD13 LEU 37 HD13 LEU 37 12.842 14.071 -4.468 148 HD21 LEU 37 HD21 LEU 37 11.407 15.249 -6.769 149 HD22 LEU 37 HD22 LEU 37 11.089 15.628 -5.065 150 HD23 LEU 37 HD23 LEU 37 11.369 16.935 -6.236 151 H HIS 38 H HIS 38 15.526 19.531 -3.761 152 HA HIS 38 HA HIS 38 13.857 21.219 -2.136 153 HB2 HIS 38 HB2 HIS 38 16.598 20.604 -2.340 154 HB3 HIS 38 HB3 HIS 38 16.519 22.328 -2.674 155 HD2 HIS 38 HD2 HIS 38 14.903 19.857 -0.121 156 HE1 HIS 38 HE1 HIS 38 16.235 23.268 2.084 157 HE2 HIS 38 HE2 HIS 38 15.114 20.992 2.268 158 H ALA 39 H ALA 39 15.253 21.787 -5.414 159 HA ALA 39 HA ALA 39 14.430 24.472 -5.669 160 HB1 ALA 39 HB1 ALA 39 15.856 23.164 -7.310 161 HB2 ALA 39 HB2 ALA 39 14.358 22.396 -7.901 162 HB3 ALA 39 HB3 ALA 39 14.571 24.132 -8.059 163 H ALA 40 H ALA 40 12.467 21.592 -5.570 164 HA ALA 40 HA ALA 40 10.011 23.122 -6.230 165 HB1 ALA 40 HB1 ALA 40 10.512 20.124 -6.184 166 HB2 ALA 40 HB2 ALA 40 8.981 20.921 -6.611 167 HB3 ALA 40 HB3 ALA 40 10.410 21.185 -7.615 168 H GLY 41 H GLY 41 11.568 23.165 -3.595 169 HA2 GLY 41 HA2 GLY 41 10.899 23.657 -1.469 170 HA3 GLY 41 HA3 GLY 41 9.224 23.407 -1.962 171 H ALA 42 H ALA 42 11.302 20.640 -2.410 172 HA ALA 42 HA ALA 42 9.816 19.123 -0.452 173 HB1 ALA 42 HB1 ALA 42 10.613 18.438 -2.810 174 HB2 ALA 42 HB2 ALA 42 12.228 18.264 -2.074 175 HB3 ALA 42 HB3 ALA 42 10.873 17.254 -1.523 176 H GLN 43 H GLN 43 11.602 17.285 0.378 177 HA GLN 43 HA GLN 43 13.958 18.493 1.746 178 HB2 GLN 43 HB2 GLN 43 11.959 16.649 3.126 179 HB3 GLN 43 HB3 GLN 43 13.520 17.161 3.776 180 HG2 GLN 43 HG2 GLN 43 12.748 19.537 3.714 181 HG3 GLN 43 HG3 GLN 43 11.159 18.989 3.163 182 HE21 GLN 43 HE22 GLN 43 9.892 17.543 4.670 183 HE22 GLN 43 HE21 GLN 43 10.201 17.702 6.393 184 H GLY 44 H GLY 44 14.208 17.427 -0.617 185 HA2 GLY 44 HA2 GLY 44 15.506 15.935 -1.782 186 HA3 GLY 44 HA3 GLY 44 15.886 15.113 -0.261 187 H GLU 45 H GLU 45 15.128 13.124 -0.096 188 HA GLU 45 HA GLU 45 12.590 12.247 -1.342 189 HB2 GLU 45 HB2 GLU 45 15.214 10.749 -1.722 190 HB3 GLU 45 HB3 GLU 45 13.619 10.141 -2.143 191 HG2 GLU 45 HG2 GLU 45 13.285 11.932 -3.760 192 HG3 GLU 45 HG3 GLU 45 14.912 12.546 -3.439 193 H MET 46 H MET 46 13.749 12.839 1.394 194 HA MET 46 HA MET 46 14.062 10.333 2.785 195 HB2 MET 46 HB2 MET 46 15.348 12.246 3.207 196 HB3 MET 46 HB3 MET 46 13.912 13.105 3.840 197 HG2 MET 46 HG2 MET 46 13.771 11.327 5.640 198 HG3 MET 46 HG3 MET 46 15.238 10.604 4.984 199 HE1 MET 46 HE1 MET 46 16.374 10.648 7.352 200 HE2 MET 46 HE2 MET 46 16.440 12.084 8.396 201 HE3 MET 46 HE3 MET 46 14.875 11.324 8.032 202 H PHE 47 H PHE 47 11.881 9.848 1.676 203 HA PHE 47 HA PHE 47 9.744 9.467 3.588 204 HB2 PHE 47 HB2 PHE 47 8.110 11.038 2.302 205 HB3 PHE 47 HB3 PHE 47 9.156 11.673 3.535 206 HD1 PHE 47 HD2 PHE 47 9.153 11.131 -0.189 207 HD2 PHE 47 HD1 PHE 47 10.452 13.566 3.110 208 HE1 PHE 47 HE2 PHE 47 10.057 12.838 -1.780 209 HE2 PHE 47 HE1 PHE 47 11.406 15.220 1.497 210 HZ PHE 47 HZ PHE 47 11.123 14.882 -0.929 211 H THR 48 H THR 48 7.663 8.781 2.486 212 HA THR 48 HA THR 48 8.182 6.480 0.969 213 HB THR 48 HB THR 48 5.413 7.662 1.106 214 HG1 THR 48 HG1 THR 48 5.299 7.161 3.327 215 HG21 THR 48 HG21 THR 48 5.673 5.258 0.400 216 HG22 THR 48 HG22 THR 48 6.360 4.911 2.001 217 HG23 THR 48 HG23 THR 48 4.697 5.479 1.849 218 H VAL 49 H VAL 49 6.980 5.769 -0.934 219 HA VAL 49 HA VAL 49 7.759 6.975 -3.319 220 HB VAL 49 HB VAL 49 5.421 5.083 -2.857 221 HG11 VAL 49 HG11 VAL 49 5.826 4.353 -5.195 222 HG12 VAL 49 HG12 VAL 49 5.213 6.004 -5.104 223 HG13 VAL 49 HG13 VAL 49 6.936 5.722 -5.419 224 HG21 VAL 49 HG21 VAL 49 7.501 4.141 -2.000 225 HG22 VAL 49 HG22 VAL 49 7.068 3.334 -3.504 226 HG23 VAL 49 HG23 VAL 49 8.351 4.559 -3.502 227 H LYS 50 H LYS 50 4.571 7.197 -1.756 228 HA LYS 50 HA LYS 50 3.386 8.862 -3.752 229 HB2 LYS 50 HB2 LYS 50 1.576 9.226 -2.109 230 HB3 LYS 50 HB3 LYS 50 2.020 7.524 -2.237 231 HG2 LYS 50 HG2 LYS 50 3.360 7.706 -0.148 232 HG3 LYS 50 HG3 LYS 50 2.929 9.421 -0.021 233 HD2 LYS 50 HD2 LYS 50 0.558 8.840 0.225 234 HD3 LYS 50 HD3 LYS 50 0.937 7.113 0.016 235 HE2 LYS 50 HE2 LYS 50 2.373 7.160 2.027 236 HE3 LYS 50 HE3 LYS 50 2.083 8.890 2.223 237 HZ1 LYS 50 HZ1 LYS 50 -0.288 8.386 2.583 238 HZ2 LYS 50 HZ2 LYS 50 -0.021 6.784 2.399 239 HZ3 LYS 50 HZ3 LYS 50 0.621 7.579 3.669 240 H GLU 51 H GLU 51 5.426 9.747 -1.062 241 HA GLU 51 HA GLU 51 4.782 12.615 -1.327 242 HB2 GLU 51 HB2 GLU 51 6.927 11.177 0.272 243 HB3 GLU 51 HB3 GLU 51 6.579 12.904 0.348 244 HG2 GLU 51 HG2 GLU 51 4.706 10.642 1.168 245 HG3 GLU 51 HG3 GLU 51 5.626 11.672 2.247 246 H VAL 52 H VAL 52 7.590 10.445 -2.211 247 HA VAL 52 HA VAL 52 9.091 12.563 -3.485 248 HB VAL 52 HB VAL 52 10.096 10.855 -4.920 249 HG11 VAL 52 HG11 VAL 52 11.158 11.295 -2.782 250 HG12 VAL 52 HG12 VAL 52 10.106 10.081 -1.983 251 HG13 VAL 52 HG13 VAL 52 11.311 9.594 -3.182 252 HG21 VAL 52 HG21 VAL 52 8.356 9.144 -5.141 253 HG22 VAL 52 HG22 VAL 52 9.791 8.442 -4.403 254 HG23 VAL 52 HG23 VAL 52 8.442 8.890 -3.368 255 H MET 53 H MET 53 6.681 10.434 -4.869 256 HA MET 53 HA MET 53 6.882 11.697 -7.464 257 HB2 MET 53 HB2 MET 53 5.132 10.388 -8.216 258 HB3 MET 53 HB3 MET 53 5.985 9.390 -7.040 259 HG2 MET 53 HG2 MET 53 4.248 10.062 -5.339 260 HG3 MET 53 HG3 MET 53 3.358 10.876 -6.624 261 HE1 MET 53 HE1 MET 53 3.859 8.712 -9.119 262 HE2 MET 53 HE2 MET 53 2.279 7.927 -8.957 263 HE3 MET 53 HE3 MET 53 2.419 9.690 -8.758 264 H HIS 54 H HIS 54 5.103 12.680 -4.636 265 HA HIS 54 HA HIS 54 3.361 14.640 -5.897 266 HB2 HIS 54 HB2 HIS 54 2.590 14.142 -3.792 267 HB3 HIS 54 HB3 HIS 54 4.165 13.808 -3.155 268 HD2 HIS 54 HD2 HIS 54 5.221 15.475 -1.572 269 HE1 HIS 54 HE1 HIS 54 3.071 18.984 -2.646 270 HE2 HIS 54 HE2 HIS 54 4.817 18.021 -1.066 271 H TYR 55 H TYR 55 6.392 15.119 -3.971 272 HA TYR 55 HA TYR 55 6.972 17.696 -4.786 273 HB2 TYR 55 HB2 TYR 55 8.906 15.442 -4.201 274 HB3 TYR 55 HB3 TYR 55 9.327 17.150 -4.267 275 HD1 TYR 55 HD1 TYR 55 7.818 18.736 -2.712 276 HD2 TYR 55 HD2 TYR 55 8.525 14.548 -2.094 277 HE1 TYR 55 HE1 TYR 55 7.217 19.009 -0.312 278 HE2 TYR 55 HE2 TYR 55 7.962 14.814 0.329 279 HH TYR 55 HH TYR 55 6.992 17.971 1.731 280 H LEU 56 H LEU 56 7.806 14.694 -6.593 281 HA LEU 56 HA LEU 56 9.260 16.081 -8.652 282 HB2 LEU 56 HB2 LEU 56 9.395 13.668 -7.893 283 HB3 LEU 56 HB3 LEU 56 7.960 13.341 -8.858 284 HG LEU 56 HG LEU 56 10.527 14.550 -10.004 285 HD11 LEU 56 HD11 LEU 56 11.084 12.419 -8.934 286 HD12 LEU 56 HD12 LEU 56 9.733 11.620 -9.769 287 HD13 LEU 56 HD13 LEU 56 11.120 12.234 -10.690 288 HD21 LEU 56 HD21 LEU 56 8.188 13.056 -11.271 289 HD22 LEU 56 HD22 LEU 56 8.657 14.749 -11.539 290 HD23 LEU 56 HD23 LEU 56 9.696 13.455 -12.118 291 H GLY 57 H GLY 57 5.787 15.049 -8.471 292 HA2 GLY 57 HA2 GLY 57 4.942 15.960 -11.021 293 HA3 GLY 57 HA3 GLY 57 3.958 15.909 -9.559 294 H GLN 58 H GLN 58 5.042 17.805 -7.895 295 HA GLN 58 HA GLN 58 4.338 20.259 -9.225 296 HB2 GLN 58 HB2 GLN 58 4.508 21.389 -7.219 297 HB3 GLN 58 HB3 GLN 58 3.847 19.794 -6.865 298 HG2 GLN 58 HG2 GLN 58 6.174 19.109 -6.146 299 HG3 GLN 58 HG3 GLN 58 6.677 20.791 -6.329 300 HE21 GLN 58 HE22 GLN 58 7.247 20.528 -3.928 301 HE22 GLN 58 HE21 GLN 58 5.938 20.640 -2.771 302 H TYR 59 H TYR 59 7.558 18.807 -8.582 303 HA TYR 59 HA TYR 59 9.120 21.025 -9.453 304 HB2 TYR 59 HB2 TYR 59 10.088 18.938 -8.505 305 HB3 TYR 59 HB3 TYR 59 9.613 18.057 -9.935 306 HD1 TYR 59 HD1 TYR 59 10.633 18.654 -12.207 307 HD2 TYR 59 HD2 TYR 59 12.179 20.139 -8.456 308 HE1 TYR 59 HE1 TYR 59 12.828 19.106 -13.283 309 HE2 TYR 59 HE2 TYR 59 14.348 20.615 -9.559 310 HH TYR 59 HH TYR 59 15.037 19.712 -12.938 311 H ILE 60 H ILE 60 7.657 18.379 -11.454 312 HA ILE 60 HA ILE 60 8.428 19.439 -13.991 313 HB ILE 60 HB ILE 60 5.930 17.874 -13.246 314 HG12 ILE 60 HG12 ILE 60 8.366 16.687 -14.607 315 HG13 ILE 60 HG13 ILE 60 8.309 16.805 -12.858 316 HG21 ILE 60 HG21 ILE 60 5.902 17.238 -15.695 317 HG22 ILE 60 HG22 ILE 60 5.588 18.939 -15.426 318 HG23 ILE 60 HG23 ILE 60 7.195 18.422 -15.972 319 HD11 ILE 60 HD11 ILE 60 7.464 14.615 -13.568 320 HD12 ILE 60 HD12 ILE 60 6.179 15.556 -12.788 321 HD13 ILE 60 HD13 ILE 60 6.206 15.376 -14.548 322 H MET 61 H MET 61 5.472 20.085 -12.029 323 HA MET 61 HA MET 61 4.320 21.866 -13.931 324 HB2 MET 61 HB2 MET 61 3.151 20.682 -12.089 325 HB3 MET 61 HB3 MET 61 3.912 21.759 -10.923 326 HG2 MET 61 HG2 MET 61 1.584 22.402 -11.473 327 HG3 MET 61 HG3 MET 61 2.752 23.673 -11.777 328 HE1 MET 61 HE1 MET 61 0.751 21.246 -15.223 329 HE2 MET 61 HE2 MET 61 2.110 20.592 -14.292 330 HE3 MET 61 HE3 MET 61 0.534 20.854 -13.505 331 H VAL 62 H VAL 62 6.650 22.570 -11.313 332 HA VAL 62 HA VAL 62 6.638 25.452 -11.715 333 HB VAL 62 HB VAL 62 8.518 23.589 -10.318 334 HG11 VAL 62 HG11 VAL 62 9.567 25.611 -9.297 335 HG12 VAL 62 HG12 VAL 62 9.916 25.474 -11.018 336 HG13 VAL 62 HG13 VAL 62 8.683 26.628 -10.456 337 HG21 VAL 62 HG21 VAL 62 6.634 25.745 -9.274 338 HG22 VAL 62 HG22 VAL 62 6.275 24.011 -9.280 339 HG23 VAL 62 HG23 VAL 62 7.609 24.624 -8.296 340 H LYS 63 H LYS 63 8.914 22.871 -12.752 341 HA LYS 63 HA LYS 63 10.495 24.604 -14.457 342 HB2 LYS 63 HB2 LYS 63 10.495 21.769 -13.674 343 HB3 LYS 63 HB3 LYS 63 10.695 21.913 -15.403 344 HG2 LYS 63 HG2 LYS 63 12.859 21.887 -14.454 345 HG3 LYS 63 HG3 LYS 63 12.571 23.531 -15.037 346 HD2 LYS 63 HD2 LYS 63 11.943 24.164 -12.649 347 HD3 LYS 63 HD3 LYS 63 12.448 22.554 -12.137 348 HE2 LYS 63 HE2 LYS 63 14.211 24.605 -13.573 349 HE3 LYS 63 HE3 LYS 63 14.165 24.378 -11.825 350 HZ1 LYS 63 HZ1 LYS 63 16.014 23.165 -12.771 351 HZ2 LYS 63 HZ2 LYS 63 14.959 22.073 -12.175 352 HZ3 LYS 63 HZ3 LYS 63 15.068 22.309 -13.795 353 H GLN 64 H GLN 64 7.438 23.163 -14.956 354 HA GLN 64 HA GLN 64 6.012 23.019 -16.643 355 HB2 GLN 64 HB2 GLN 64 5.452 25.104 -17.741 356 HB3 GLN 64 HB3 GLN 64 5.748 25.254 -16.020 357 HG2 GLN 64 HG2 GLN 64 8.140 26.072 -16.692 358 HG3 GLN 64 HG3 GLN 64 7.466 26.262 -18.309 359 HE21 GLN 64 HE22 GLN 64 7.235 27.258 -14.871 360 HE22 GLN 64 HE21 GLN 64 6.398 28.775 -15.201 361 H LEU 65 H LEU 65 7.982 21.465 -17.197 362 HA LEU 65 HA LEU 65 8.986 21.931 -19.913 363 HB2 LEU 65 HB2 LEU 65 10.078 20.904 -17.526 364 HB3 LEU 65 HB3 LEU 65 9.856 19.492 -18.502 365 HG LEU 65 HG LEU 65 12.089 20.290 -18.770 366 HD11 LEU 65 HD11 LEU 65 12.347 20.708 -21.144 367 HD12 LEU 65 HD12 LEU 65 11.076 19.505 -20.880 368 HD13 LEU 65 HD13 LEU 65 10.641 21.172 -21.299 369 HD21 LEU 65 HD21 LEU 65 12.679 22.534 -19.544 370 HD22 LEU 65 HD22 LEU 65 10.966 23.002 -19.576 371 HD23 LEU 65 HD23 LEU 65 11.757 22.606 -18.037 372 H TYR 66 H TYR 66 6.162 20.816 -19.050 373 HA TYR 66 HA TYR 66 5.934 18.369 -20.645 374 HB2 TYR 66 HB2 TYR 66 3.485 18.719 -20.207 375 HB3 TYR 66 HB3 TYR 66 4.480 18.521 -18.779 376 HD1 TYR 66 HD1 TYR 66 2.839 21.131 -20.917 377 HD2 TYR 66 HD2 TYR 66 4.523 20.164 -17.075 378 HE1 TYR 66 HE1 TYR 66 2.067 23.326 -20.043 379 HE2 TYR 66 HE2 TYR 66 3.704 22.354 -16.173 380 HH TYR 66 HH TYR 66 1.957 24.726 -18.213 381 H ASP 67 H ASP 67 4.365 18.271 -22.500 382 HA ASP 67 HA ASP 67 5.164 20.299 -24.428 383 HB2 ASP 67 HB2 ASP 67 4.842 17.858 -25.019 384 HB3 ASP 67 HB3 ASP 67 3.116 18.120 -24.860 385 H GLN 68 H GLN 68 3.927 21.752 -25.572 386 HA GLN 68 HA GLN 68 1.808 23.064 -24.184 387 HB2 GLN 68 HB2 GLN 68 1.560 24.012 -26.721 388 HB3 GLN 68 HB3 GLN 68 2.589 24.656 -25.453 389 HG2 GLN 68 HG2 GLN 68 3.994 24.696 -27.240 390 HG3 GLN 68 HG3 GLN 68 4.490 23.182 -26.531 391 HE21 GLN 68 HE22 GLN 68 4.321 21.268 -27.960 392 HE22 GLN 68 HE21 GLN 68 3.615 21.441 -29.554 393 H GLN 69 H GLN 69 1.657 20.963 -27.108 394 HA GLN 69 HA GLN 69 -1.255 21.106 -27.200 395 HB2 GLN 69 HB2 GLN 69 0.607 19.184 -28.637 396 HB3 GLN 69 HB3 GLN 69 -1.087 19.481 -28.987 397 HG2 GLN 69 HG2 GLN 69 1.235 21.369 -29.409 398 HG3 GLN 69 HG3 GLN 69 0.228 20.633 -30.635 399 HE21 GLN 69 HE22 GLN 69 0.845 23.572 -29.564 400 HE22 GLN 69 HE21 GLN 69 -0.771 24.278 -29.570 401 H GLU 70 H GLU 70 1.002 19.116 -25.433 402 HA GLU 70 HA GLU 70 -1.302 17.679 -24.263 403 HB2 GLU 70 HB2 GLU 70 0.022 15.472 -24.494 404 HB3 GLU 70 HB3 GLU 70 -1.054 16.035 -25.761 405 HG2 GLU 70 HG2 GLU 70 0.838 16.868 -27.092 406 HG3 GLU 70 HG3 GLU 70 1.968 16.377 -25.824 407 H GLN 71 H GLN 71 -0.993 18.684 -22.395 408 HA GLN 71 HA GLN 71 1.323 18.819 -20.805 409 HB2 GLN 71 HB2 GLN 71 -1.630 18.592 -20.073 410 HB3 GLN 71 HB3 GLN 71 -0.359 18.909 -18.904 411 HG2 GLN 71 HG2 GLN 71 -1.364 21.014 -19.474 412 HG3 GLN 71 HG3 GLN 71 0.281 20.975 -20.082 413 HE21 GLN 71 HE22 GLN 71 -0.080 22.608 -21.693 414 HE22 GLN 71 HE21 GLN 71 -1.004 22.226 -23.137 415 H HIS 72 H HIS 72 -0.530 15.989 -21.604 416 HA HIS 72 HA HIS 72 0.173 14.403 -19.330 417 HB2 HIS 72 HB2 HIS 72 -1.166 12.859 -20.254 418 HB3 HIS 72 HB3 HIS 72 -1.613 14.098 -21.399 419 HD2 HIS 72 HD2 HIS 72 -0.334 10.643 -21.250 420 HE1 HIS 72 HE1 HIS 72 1.156 12.014 -25.001 421 HE2 HIS 72 HE2 HIS 72 0.763 9.957 -23.551 422 H MET 73 H MET 73 1.950 15.334 -22.162 423 HA MET 73 HA MET 73 4.065 13.281 -21.829 424 HB2 MET 73 HB2 MET 73 3.441 13.580 -24.086 425 HB3 MET 73 HB3 MET 73 3.395 15.336 -23.944 426 HG2 MET 73 HG2 MET 73 5.334 14.621 -25.225 427 HG3 MET 73 HG3 MET 73 5.786 15.490 -23.773 428 HE1 MET 73 HE1 MET 73 6.014 12.201 -25.811 429 HE2 MET 73 HE2 MET 73 6.485 10.991 -24.597 430 HE3 MET 73 HE3 MET 73 4.856 11.697 -24.559 431 H VAL 74 H VAL 74 5.916 13.730 -20.798 432 HA VAL 74 HA VAL 74 6.542 16.531 -19.942 433 HB VAL 74 HB VAL 74 7.015 13.950 -18.410 434 HG11 VAL 74 HG11 VAL 74 7.590 16.877 -17.763 435 HG12 VAL 74 HG12 VAL 74 7.672 15.538 -16.593 436 HG13 VAL 74 HG13 VAL 74 8.780 15.572 -17.958 437 HG21 VAL 74 HG21 VAL 74 5.386 14.896 -16.800 438 HG22 VAL 74 HG22 VAL 74 5.057 16.238 -17.923 439 HG23 VAL 74 HG23 VAL 74 4.632 14.569 -18.357 440 H TYR 75 H TYR 75 8.263 17.229 -21.072 441 HA TYR 75 HA TYR 75 10.458 15.404 -21.842 442 HB2 TYR 75 HB2 TYR 75 9.872 18.306 -22.484 443 HB3 TYR 75 HB3 TYR 75 11.377 17.497 -22.895 444 HD1 TYR 75 HD2 TYR 75 11.244 15.259 -24.144 445 HD2 TYR 75 HD1 TYR 75 8.003 18.103 -23.991 446 HE1 TYR 75 HE2 TYR 75 10.161 14.119 -26.049 447 HE2 TYR 75 HE1 TYR 75 6.959 17.015 -25.973 448 HH TYR 75 HH TYR 75 7.101 15.313 -27.529 449 H CYS 76 H CYS 76 12.668 16.054 -21.268 450 HA CYS 76 HA CYS 76 13.086 17.757 -18.857 451 HB2 CYS 76 HB2 CYS 76 13.370 14.771 -19.063 452 HB3 CYS 76 HB3 CYS 76 14.596 15.637 -18.139 453 HG CYS 76 HG CYS 76 11.357 16.196 -17.822 454 H GLY 77 H GLY 77 13.810 18.032 -21.742 455 HA2 GLY 77 HA2 GLY 77 16.390 17.115 -22.270 456 HA3 GLY 77 HA3 GLY 77 15.633 18.484 -23.088 457 H GLY 78 H GLY 78 18.245 17.543 -21.310 458 HA2 GLY 78 HA2 GLY 78 20.046 18.643 -20.436 459 HA3 GLY 78 HA3 GLY 78 19.327 20.184 -20.901 460 H ASP 79 H ASP 79 17.252 18.292 -18.727 461 HA ASP 79 HA ASP 79 17.939 20.209 -16.579 462 HB2 ASP 79 HB2 ASP 79 15.610 20.084 -17.515 463 HB3 ASP 79 HB3 ASP 79 15.491 18.447 -16.860 464 H LEU 80 H LEU 80 18.256 19.539 -14.451 465 HA LEU 80 HA LEU 80 19.743 17.149 -14.031 466 HB2 LEU 80 HB2 LEU 80 18.393 19.021 -12.066 467 HB3 LEU 80 HB3 LEU 80 19.463 17.687 -11.622 468 HG LEU 80 HG LEU 80 20.315 20.075 -13.281 469 HD11 LEU 80 HD11 LEU 80 21.574 20.714 -11.270 470 HD12 LEU 80 HD12 LEU 80 19.842 20.623 -10.918 471 HD13 LEU 80 HD13 LEU 80 20.922 19.311 -10.392 472 HD21 LEU 80 HD21 LEU 80 21.684 18.132 -13.867 473 HD22 LEU 80 HD22 LEU 80 22.619 19.221 -12.845 474 HD23 LEU 80 HD23 LEU 80 21.921 17.744 -12.147 475 H LEU 81 H LEU 81 16.253 17.666 -13.933 476 HA LEU 81 HA LEU 81 15.644 15.200 -12.532 477 HB2 LEU 81 HB2 LEU 81 14.043 17.023 -12.752 478 HB3 LEU 81 HB3 LEU 81 14.062 16.885 -14.514 479 HG LEU 81 HG LEU 81 13.028 14.634 -14.351 480 HD11 LEU 81 HD11 LEU 81 13.041 15.109 -11.334 481 HD12 LEU 81 HD12 LEU 81 12.153 13.814 -12.167 482 HD13 LEU 81 HD13 LEU 81 13.912 13.825 -12.204 483 HD21 LEU 81 HD21 LEU 81 11.579 16.699 -14.351 484 HD22 LEU 81 HD22 LEU 81 10.832 15.267 -13.624 485 HD23 LEU 81 HD23 LEU 81 11.479 16.545 -12.580 486 H GLY 82 H GLY 82 16.252 15.998 -15.968 487 HA2 GLY 82 HA2 GLY 82 15.726 13.339 -17.039 488 HA3 GLY 82 HA3 GLY 82 16.658 14.633 -17.807 489 H GLU 83 H GLU 83 18.733 15.049 -15.853 490 HA GLU 83 HA GLU 83 20.534 12.950 -16.288 491 HB2 GLU 83 HB2 GLU 83 21.004 15.354 -15.738 492 HB3 GLU 83 HB3 GLU 83 20.430 15.068 -14.082 493 HG2 GLU 83 HG2 GLU 83 22.081 13.356 -13.753 494 HG3 GLU 83 HG3 GLU 83 22.628 13.570 -15.434 495 H LEU 84 H LEU 84 18.428 13.651 -13.459 496 HA LEU 84 HA LEU 84 19.437 11.555 -11.863 497 HB2 LEU 84 HB2 LEU 84 18.384 13.541 -10.988 498 HB3 LEU 84 HB3 LEU 84 16.840 13.159 -11.731 499 HG LEU 84 HG LEU 84 18.061 11.279 -9.676 500 HD11 LEU 84 HD11 LEU 84 18.071 13.501 -8.649 501 HD12 LEU 84 HD12 LEU 84 16.374 13.756 -9.110 502 HD13 LEU 84 HD13 LEU 84 16.811 12.503 -7.923 503 HD21 LEU 84 HD21 LEU 84 15.657 10.865 -9.128 504 HD22 LEU 84 HD22 LEU 84 15.174 11.966 -10.432 505 HD23 LEU 84 HD23 LEU 84 16.008 10.441 -10.793 506 H LEU 85 H LEU 85 16.468 11.723 -13.871 507 HA LEU 85 HA LEU 85 15.615 8.998 -13.339 508 HB2 LEU 85 HB2 LEU 85 14.931 11.028 -15.506 509 HB3 LEU 85 HB3 LEU 85 14.137 9.468 -15.375 510 HG LEU 85 HG LEU 85 14.079 11.513 -13.117 511 HD11 LEU 85 HD11 LEU 85 12.026 10.946 -15.302 512 HD12 LEU 85 HD12 LEU 85 11.812 12.050 -13.927 513 HD13 LEU 85 HD13 LEU 85 13.023 12.410 -15.171 514 HD21 LEU 85 HD21 LEU 85 12.342 9.075 -13.721 515 HD22 LEU 85 HD22 LEU 85 13.562 9.180 -12.433 516 HD23 LEU 85 HD23 LEU 85 12.124 10.211 -12.374 517 H GLY 86 H GLY 86 17.844 10.406 -15.687 518 HA2 GLY 86 HA2 GLY 86 19.419 9.293 -16.991 519 HA3 GLY 86 HA3 GLY 86 18.625 7.743 -16.698 520 H ARG 87 H ARG 87 16.402 10.157 -17.643 521 HA ARG 87 HA ARG 87 16.644 9.839 -20.522 522 HB2 ARG 87 HB2 ARG 87 14.240 9.068 -20.806 523 HB3 ARG 87 HB3 ARG 87 15.364 7.841 -20.329 524 HG2 ARG 87 HG2 ARG 87 13.648 9.287 -18.283 525 HG3 ARG 87 HG3 ARG 87 13.014 7.934 -19.204 526 HD2 ARG 87 HD2 ARG 87 15.632 7.481 -17.802 527 HD3 ARG 87 HD3 ARG 87 14.197 7.672 -16.800 528 HE ARG 87 HE ARG 87 13.742 5.745 -18.903 529 HH11 ARG 87 HH11 ARG 87 15.518 6.048 -15.844 530 HH12 ARG 87 HH12 ARG 87 15.296 4.319 -15.524 531 HH21 ARG 87 HH21 ARG 87 13.635 3.521 -18.308 532 HH22 ARG 87 HH22 ARG 87 14.379 3.052 -16.778 533 H GLN 88 H GLN 88 15.504 11.251 -21.743 534 HA GLN 88 HA GLN 88 14.712 13.668 -20.220 535 HB2 GLN 88 HB2 GLN 88 15.783 13.395 -23.034 536 HB3 GLN 88 HB3 GLN 88 15.330 14.920 -22.239 537 HG2 GLN 88 HG2 GLN 88 16.941 14.519 -20.435 538 HG3 GLN 88 HG3 GLN 88 17.419 12.977 -21.157 539 HE21 GLN 88 HE22 GLN 88 18.301 13.134 -23.528 540 HE22 GLN 88 HE21 GLN 88 19.319 14.533 -23.833 541 H SER 89 H SER 89 12.969 11.241 -21.351 542 HA SER 89 HA SER 89 10.659 13.018 -21.377 543 HB2 SER 89 HB2 SER 89 9.592 12.215 -23.402 544 HB3 SER 89 HB3 SER 89 11.110 13.047 -23.745 545 HG SER 89 HG SER 89 10.924 11.089 -24.953 546 H PHE 90 H PHE 90 8.782 12.179 -20.698 547 HA PHE 90 HA PHE 90 8.140 9.357 -20.640 548 HB2 PHE 90 HB2 PHE 90 7.889 9.172 -18.197 549 HB3 PHE 90 HB3 PHE 90 9.556 9.382 -18.668 550 HD1 PHE 90 HD2 PHE 90 10.791 11.470 -18.183 551 HD2 PHE 90 HD1 PHE 90 6.731 10.876 -16.845 552 HE1 PHE 90 HE2 PHE 90 11.061 13.307 -16.540 553 HE2 PHE 90 HE1 PHE 90 7.014 12.710 -15.197 554 HZ PHE 90 HZ PHE 90 9.196 13.901 -15.018 555 H SER 91 H SER 91 5.920 9.087 -19.452 556 HA SER 91 HA SER 91 4.222 11.529 -19.793 557 HB2 SER 91 HB2 SER 91 3.653 8.795 -20.998 558 HB3 SER 91 HB3 SER 91 2.571 10.202 -21.041 559 HG SER 91 HG SER 91 3.880 9.872 -22.972 560 H VAL 92 H VAL 92 2.217 11.511 -18.641 561 HA VAL 92 HA VAL 92 2.242 10.027 -16.169 562 HB VAL 92 HB VAL 92 0.052 10.979 -15.693 563 HG11 VAL 92 HG11 VAL 92 2.103 12.314 -15.328 564 HG12 VAL 92 HG12 VAL 92 1.914 13.044 -16.938 565 HG13 VAL 92 HG13 VAL 92 0.689 13.319 -15.685 566 HG21 VAL 92 HG21 VAL 92 0.143 12.092 -18.524 567 HG22 VAL 92 HG22 VAL 92 -1.015 10.893 -17.908 568 HG23 VAL 92 HG23 VAL 92 -1.029 12.542 -17.270 569 H LYS 93 H LYS 93 1.091 9.047 -19.247 570 HA LYS 93 HA LYS 93 -0.481 6.764 -18.177 571 HB2 LYS 93 HB2 LYS 93 0.271 7.609 -21.007 572 HB3 LYS 93 HB3 LYS 93 -0.700 6.199 -20.633 573 HG2 LYS 93 HG2 LYS 93 -1.455 9.079 -19.965 574 HG3 LYS 93 HG3 LYS 93 -2.051 8.155 -21.335 575 HD2 LYS 93 HD2 LYS 93 -2.581 7.533 -18.395 576 HD3 LYS 93 HD3 LYS 93 -3.700 8.277 -19.538 577 HE2 LYS 93 HE2 LYS 93 -3.605 6.216 -20.959 578 HE3 LYS 93 HE3 LYS 93 -2.563 5.451 -19.753 579 HZ1 LYS 93 HZ1 LYS 93 -5.344 6.388 -19.256 580 HZ2 LYS 93 HZ2 LYS 93 -4.889 4.833 -19.428 581 HZ3 LYS 93 HZ3 LYS 93 -4.383 5.687 -18.134 582 H ASP 94 H ASP 94 2.791 7.365 -18.519 583 HA ASP 94 HA ASP 94 3.445 4.505 -18.318 584 HB2 ASP 94 HB2 ASP 94 3.537 5.004 -20.742 585 HB3 ASP 94 HB3 ASP 94 4.681 6.309 -20.435 586 HA PRO 95 HA PRO 95 5.776 7.556 -15.633 587 HB2 PRO 95 HB2 PRO 95 4.867 6.957 -13.152 588 HB3 PRO 95 HB3 PRO 95 3.890 7.885 -14.326 589 HG2 PRO 95 HG2 PRO 95 3.775 4.882 -13.803 590 HG3 PRO 95 HG3 PRO 95 2.414 6.051 -13.763 591 HD2 PRO 95 HD2 PRO 95 2.981 4.593 -15.992 592 HD3 PRO 95 HD3 PRO 95 2.433 6.294 -16.099 593 H SER 96 H SER 96 6.049 4.274 -16.134 594 HA SER 96 HA SER 96 7.428 3.128 -14.070 595 HB2 SER 96 HB2 SER 96 7.935 2.751 -17.032 596 HB3 SER 96 HB3 SER 96 8.448 1.644 -15.739 597 HG SER 96 HG SER 96 6.394 1.076 -16.704 598 HA PRO 97 HA PRO 97 11.732 5.001 -15.530 599 HB2 PRO 97 HB2 PRO 97 10.533 7.765 -15.941 600 HB3 PRO 97 HB3 PRO 97 12.080 7.118 -16.559 601 HG2 PRO 97 HG2 PRO 97 9.967 7.105 -18.201 602 HG3 PRO 97 HG3 PRO 97 10.911 5.585 -18.039 603 HD2 PRO 97 HD2 PRO 97 8.348 6.373 -16.634 604 HD3 PRO 97 HD3 PRO 97 8.727 4.839 -17.474 605 H LEU 98 H LEU 98 9.201 6.676 -13.649 606 HA LEU 98 HA LEU 98 10.987 7.775 -11.619 607 HB2 LEU 98 HB2 LEU 98 8.765 8.650 -12.325 608 HB3 LEU 98 HB3 LEU 98 7.970 7.240 -11.644 609 HG LEU 98 HG LEU 98 9.639 9.150 -9.976 610 HD11 LEU 98 HD11 LEU 98 7.860 10.417 -11.075 611 HD12 LEU 98 HD12 LEU 98 6.647 9.240 -10.522 612 HD13 LEU 98 HD13 LEU 98 7.527 10.250 -9.349 613 HD21 LEU 98 HD21 LEU 98 7.404 7.189 -9.254 614 HD22 LEU 98 HD22 LEU 98 9.119 7.019 -8.834 615 HD23 LEU 98 HD23 LEU 98 8.173 8.324 -8.124 616 H TYR 99 H TYR 99 8.809 4.935 -11.793 617 HA TYR 99 HA TYR 99 9.610 3.889 -9.251 618 HB2 TYR 99 HB2 TYR 99 8.341 2.496 -11.641 619 HB3 TYR 99 HB3 TYR 99 8.458 1.824 -10.018 620 HD1 TYR 99 HD2 TYR 99 7.293 2.986 -8.083 621 HD2 TYR 99 HD1 TYR 99 6.560 4.057 -12.199 622 HE1 TYR 99 HE2 TYR 99 5.182 4.126 -7.420 623 HE2 TYR 99 HE1 TYR 99 4.438 5.168 -11.525 624 HH TYR 99 HH TYR 99 3.317 5.270 -8.130 625 H ASP 100 H ASP 100 10.978 3.427 -12.512 626 HA ASP 100 HA ASP 100 12.909 1.440 -11.835 627 HB2 ASP 100 HB2 ASP 100 12.226 2.239 -14.114 628 HB3 ASP 100 HB3 ASP 100 13.112 3.725 -13.833 629 H MET 101 H MET 101 12.876 4.934 -11.412 630 HA MET 101 HA MET 101 15.573 5.190 -10.349 631 HB2 MET 101 HB2 MET 101 15.023 7.288 -10.916 632 HB3 MET 101 HB3 MET 101 13.318 6.912 -10.996 633 HG2 MET 101 HG2 MET 101 13.261 7.153 -8.451 634 HG3 MET 101 HG3 MET 101 14.858 7.892 -8.591 635 HE1 MET 101 HE1 MET 101 11.120 10.032 -8.363 636 HE2 MET 101 HE2 MET 101 11.191 8.253 -8.475 637 HE3 MET 101 HE3 MET 101 12.185 9.118 -7.273 638 H LEU 102 H LEU 102 12.418 4.467 -8.869 639 HA LEU 102 HA LEU 102 13.520 4.576 -6.147 640 HB2 LEU 102 HB2 LEU 102 10.775 3.795 -7.199 641 HB3 LEU 102 HB3 LEU 102 11.194 3.953 -5.497 642 HG LEU 102 HG LEU 102 11.262 6.227 -7.519 643 HD11 LEU 102 HD11 LEU 102 9.352 5.635 -5.234 644 HD12 LEU 102 HD12 LEU 102 9.288 7.035 -6.323 645 HD13 LEU 102 HD13 LEU 102 8.984 5.409 -6.958 646 HD21 LEU 102 HD21 LEU 102 11.598 6.275 -4.500 647 HD22 LEU 102 HD22 LEU 102 12.898 6.586 -5.681 648 HD23 LEU 102 HD23 LEU 102 11.540 7.690 -5.573 649 H ARG 103 H ARG 103 12.653 1.934 -8.367 650 HA ARG 103 HA ARG 103 12.592 -0.155 -6.479 651 HB2 ARG 103 HB2 ARG 103 12.794 -1.672 -8.345 652 HB3 ARG 103 HB3 ARG 103 11.735 -0.319 -8.732 653 HG2 ARG 103 HG2 ARG 103 12.827 -0.526 -10.687 654 HG3 ARG 103 HG3 ARG 103 13.818 0.698 -9.898 655 HD2 ARG 103 HD2 ARG 103 15.492 -1.077 -9.332 656 HD3 ARG 103 HD3 ARG 103 14.455 -2.267 -10.144 657 HE ARG 103 HE ARG 103 14.918 -0.136 -11.977 658 HH11 ARG 103 HH11 ARG 103 16.894 -2.671 -10.537 659 HH12 ARG 103 HH12 ARG 103 17.978 -2.668 -11.903 660 HH21 ARG 103 HH21 ARG 103 16.191 -0.202 -13.567 661 HH22 ARG 103 HH22 ARG 103 17.599 -1.269 -13.638 662 H LYS 104 H LYS 104 15.361 1.305 -7.934 663 HA LYS 104 HA LYS 104 17.364 -0.530 -6.970 664 HB2 LYS 104 HB2 LYS 104 18.964 1.027 -7.545 665 HB3 LYS 104 HB3 LYS 104 17.645 1.383 -8.661 666 HG2 LYS 104 HG2 LYS 104 16.968 3.278 -7.127 667 HG3 LYS 104 HG3 LYS 104 18.360 2.913 -6.110 668 HD2 LYS 104 HD2 LYS 104 18.953 4.756 -7.502 669 HD3 LYS 104 HD3 LYS 104 19.891 3.344 -8.013 670 HE2 LYS 104 HE2 LYS 104 18.261 2.974 -9.883 671 HE3 LYS 104 HE3 LYS 104 17.354 4.393 -9.347 672 HZ1 LYS 104 HZ1 LYS 104 19.351 5.750 -9.822 673 HZ2 LYS 104 HZ2 LYS 104 20.186 4.428 -10.296 674 HZ3 LYS 104 HZ3 LYS 104 18.910 4.937 -11.170 675 H ASN 105 H ASN 105 15.513 1.978 -5.311 676 HA ASN 105 HA ASN 105 17.041 1.440 -2.802 677 HB2 ASN 105 HB2 ASN 105 16.478 3.767 -3.313 678 HB3 ASN 105 HB3 ASN 105 14.758 3.386 -3.240 679 HD21 ASN 105 HD22 ASN 105 17.775 3.581 -1.313 680 HD22 ASN 105 HD21 ASN 105 16.950 3.569 0.237 681 H LEU 106 H LEU 106 13.489 1.780 -2.798 682 HA LEU 106 HA LEU 106 13.343 -0.798 -1.381 683 HB2 LEU 106 HB2 LEU 106 11.369 -0.103 -0.431 684 HB3 LEU 106 HB3 LEU 106 12.413 1.304 -0.389 685 HG LEU 106 HG LEU 106 10.103 0.829 -2.332 686 HD11 LEU 106 HD11 LEU 106 9.422 1.228 0.011 687 HD12 LEU 106 HD12 LEU 106 10.349 2.740 0.015 688 HD13 LEU 106 HD13 LEU 106 8.947 2.551 -1.058 689 HD21 LEU 106 HD21 LEU 106 11.707 2.296 -3.437 690 HD22 LEU 106 HD22 LEU 106 10.349 3.263 -2.874 691 HD23 LEU 106 HD23 LEU 106 11.871 3.284 -1.959 692 H VAL 107 H VAL 107 12.059 -2.512 -1.922 693 HA VAL 107 HA VAL 107 11.388 -2.817 -4.764 694 HB VAL 107 HB VAL 107 10.854 -5.177 -4.128 695 HG11 VAL 107 HG11 VAL 107 13.210 -5.805 -3.918 696 HG12 VAL 107 HG12 VAL 107 13.011 -4.482 -5.075 697 HG13 VAL 107 HG13 VAL 107 13.637 -4.146 -3.447 698 HG21 VAL 107 HG21 VAL 107 12.161 -4.487 -1.451 699 HG22 VAL 107 HG22 VAL 107 10.433 -4.842 -1.661 700 HG23 VAL 107 HG23 VAL 107 11.641 -6.080 -2.021 701 H THR 108 H THR 108 9.848 -0.981 -4.444 702 HA THR 108 HA THR 108 7.307 -1.446 -3.181 703 HB THR 108 HB THR 108 8.168 0.780 -3.543 704 HG1 THR 108 HG1 THR 108 6.079 0.892 -3.223 705 HG21 THR 108 HG21 THR 108 9.127 0.625 -5.820 706 HG22 THR 108 HG22 THR 108 7.492 0.416 -6.491 707 HG23 THR 108 HG23 THR 108 7.942 1.936 -5.691 708 H LEU 109 H LEU 109 5.255 -1.196 -4.336 709 HA LEU 109 HA LEU 109 4.980 -3.637 -6.001 710 HB2 LEU 109 HB2 LEU 109 2.875 -2.015 -4.527 711 HB3 LEU 109 HB3 LEU 109 2.627 -3.589 -5.265 712 HG LEU 109 HG LEU 109 4.413 -3.030 -2.852 713 HD11 LEU 109 HD11 LEU 109 2.725 -4.304 -1.613 714 HD12 LEU 109 HD12 LEU 109 1.997 -2.885 -2.383 715 HD13 LEU 109 HD13 LEU 109 1.756 -4.498 -3.092 716 HD21 LEU 109 HD21 LEU 109 4.558 -5.502 -2.659 717 HD22 LEU 109 HD22 LEU 109 3.721 -5.668 -4.220 718 HD23 LEU 109 HD23 LEU 109 5.331 -4.914 -4.132 719 H ALA 110 H ALA 110 5.280 -0.545 -6.813 720 HA ALA 110 HA ALA 110 3.189 -0.560 -8.942 721 HB1 ALA 110 HB1 ALA 110 3.229 1.896 -8.758 722 HB2 ALA 110 HB2 ALA 110 2.723 1.112 -7.239 723 HB3 ALA 110 HB3 ALA 110 4.377 1.762 -7.407 724 H THR 111 H THR 111 3.679 0.600 -10.918 725 HA THR 111 HA THR 111 6.463 1.051 -11.686 726 HB THR 111 HB THR 111 6.226 -1.393 -11.415 727 HG1 THR 111 HG1 THR 111 7.366 -1.771 -13.346 728 HG21 THR 111 HG21 THR 111 5.149 -2.750 -13.126 729 HG22 THR 111 HG22 THR 111 3.938 -1.728 -12.341 730 HG23 THR 111 HG23 THR 111 4.540 -1.307 -13.961 731 HD1 49H 200 HD1 49H 200 1.896 14.414 -13.293 732 HD2 49H 200 HD2 49H 200 2.481 12.737 -9.363 733 HD3 49H 200 HD3 49H 200 0.622 11.676 -12.895 734 HD4 49H 200 HD4 49H 200 -0.894 11.395 -8.876 735 HD5 49H 200 HD5 49H 200 -2.674 13.939 -14.150 736 HE1 49H 200 HE1 49H 200 4.038 13.441 -14.022 737 HE2 49H 200 HE2 49H 200 4.610 11.738 -10.120 738 HE4 49H 200 HE4 49H 200 -0.423 8.968 -8.870 739 HE5 49H 200 HE5 49H 200 -3.261 14.719 -16.373 740 HE6 49H 200 HE6 49H 200 -0.071 17.557 -16.273 741 HZ2 49H 200 HZ2 49H 200 0.605 7.894 -10.864 742 HM11 49H 200 HM11 49H 200 -3.203 16.847 -19.408 743 HM12 49H 200 HM12 49H 200 -3.111 15.223 -18.677 744 HM13 49H 200 HM13 49H 200 -4.067 16.515 -17.884 745 HM21 49H 200 HM21 49H 200 1.972 16.120 -16.332 746 HM22 49H 200 HM22 49H 200 3.477 17.007 -16.105 747 HM23 49H 200 HM23 49H 200 3.092 15.639 -15.051 748 HM31 49H 200 HM31 49H 200 3.417 17.074 -13.016 749 HM32 49H 200 HM32 49H 200 3.738 18.551 -13.950 750 HM33 49H 200 HM33 49H 200 2.433 18.520 -12.764 751 HN1 49H 200 HN1 49H 200 -2.684 20.570 -12.364 752 H21 49H 200 H21 49H 200 -3.610 18.375 -12.387 753 H22 49H 200 H22 49H 200 -2.170 18.191 -13.410 754 H31 49H 200 H31 49H 200 -2.395 17.586 -10.431 755 H32 49H 200 H32 49H 200 -2.242 16.411 -11.711 756 H41 49H 200 H41 49H 200 0.866 19.223 -11.226 757 H42 49H 200 H42 49H 200 -0.103 19.014 -9.752 758 H7 49H 200 H7 49H 200 -1.194 13.407 -10.070 759 H8 49H 200 H8 49H 200 0.772 14.478 -9.736 760 H9 49H 200 H9 49H 200 1.590 18.337 -15.135 Start of MODEL 15 1 H1 GLN 23 H GLN 23 16.504 6.097 10.542 2 HA GLN 23 HA GLN 23 16.852 6.094 7.669 3 HB2 GLN 23 HB2 GLN 23 17.666 3.632 9.263 4 HB3 GLN 23 HB3 GLN 23 17.261 3.571 7.551 5 HG2 GLN 23 HG2 GLN 23 19.501 5.296 8.710 6 HG3 GLN 23 HG3 GLN 23 19.719 3.690 8.025 7 HE21 GLN 23 HE22 GLN 23 19.011 3.395 5.663 8 HE22 GLN 23 HE21 GLN 23 19.237 4.782 4.609 9 H ILE 24 H ILE 24 15.253 4.913 6.525 10 HA ILE 24 HA ILE 24 12.823 4.010 7.954 11 HB ILE 24 HB ILE 24 11.583 5.517 6.261 12 HG12 ILE 24 HG12 ILE 24 14.152 7.157 6.458 13 HG13 ILE 24 HG13 ILE 24 13.508 6.399 5.006 14 HG21 ILE 24 HG21 ILE 24 11.244 7.225 7.903 15 HG22 ILE 24 HG22 ILE 24 11.464 5.683 8.729 16 HG23 ILE 24 HG23 ILE 24 12.801 6.858 8.689 17 HD11 ILE 24 HD11 ILE 24 12.424 8.786 6.543 18 HD12 ILE 24 HD12 ILE 24 12.958 8.697 4.859 19 HD13 ILE 24 HD13 ILE 24 11.432 7.943 5.346 20 H ASN 25 H ASN 25 11.158 3.195 6.463 21 HA ASN 25 HA ASN 25 12.463 1.348 4.637 22 HB2 ASN 25 HB2 ASN 25 9.548 1.408 5.464 23 HB3 ASN 25 HB3 ASN 25 10.457 0.031 4.832 24 HD21 ASN 25 HD22 ASN 25 12.613 -0.368 6.332 25 HD22 ASN 25 HD21 ASN 25 12.254 -0.324 8.050 26 H GLN 26 H GLN 26 12.789 3.536 3.459 27 HA GLN 26 HA GLN 26 11.418 3.766 0.928 28 HB2 GLN 26 HB2 GLN 26 10.644 6.134 1.368 29 HB3 GLN 26 HB3 GLN 26 9.645 4.848 1.974 30 HG2 GLN 26 HG2 GLN 26 11.539 5.673 4.034 31 HG3 GLN 26 HG3 GLN 26 10.725 7.069 3.402 32 HE21 GLN 26 HE22 GLN 26 9.262 3.742 3.852 33 HE22 GLN 26 HE21 GLN 26 8.184 4.294 5.117 34 H VAL 27 H VAL 27 12.274 6.348 0.223 35 HA VAL 27 HA VAL 27 15.185 5.746 0.089 36 HB VAL 27 HB VAL 27 14.961 7.666 -1.731 37 HG11 VAL 27 HG11 VAL 27 13.881 4.892 -2.224 38 HG12 VAL 27 HG12 VAL 27 14.541 6.011 -3.441 39 HG13 VAL 27 HG13 VAL 27 15.608 5.377 -2.187 40 HG21 VAL 27 HG21 VAL 27 12.534 8.181 -1.266 41 HG22 VAL 27 HG22 VAL 27 12.908 7.756 -2.936 42 HG23 VAL 27 HG23 VAL 27 12.126 6.567 -1.882 43 H ARG 28 H ARG 28 16.600 7.650 -0.167 44 HA ARG 28 HA ARG 28 16.061 10.216 0.927 45 HB2 ARG 28 HB2 ARG 28 16.606 9.144 3.080 46 HB3 ARG 28 HB3 ARG 28 18.035 8.365 2.391 47 HG2 ARG 28 HG2 ARG 28 19.156 10.516 2.100 48 HG3 ARG 28 HG3 ARG 28 17.684 11.381 2.550 49 HD2 ARG 28 HD2 ARG 28 19.315 11.500 4.293 50 HD3 ARG 28 HD3 ARG 28 17.844 10.698 4.816 51 HE ARG 28 HE ARG 28 18.961 8.685 5.134 52 HH11 ARG 28 HH12 ARG 28 21.231 10.839 3.527 53 HH12 ARG 28 HH11 ARG 28 22.580 9.800 3.889 54 HH21 ARG 28 HH21 ARG 28 20.684 7.454 5.566 55 HH22 ARG 28 HH22 ARG 28 22.279 7.915 5.010 56 HA PRO 29 HA PRO 29 19.024 10.389 -2.410 57 HB2 PRO 29 HB2 PRO 29 18.959 13.008 -3.000 58 HB3 PRO 29 HB3 PRO 29 17.455 12.038 -3.000 59 HG2 PRO 29 HG2 PRO 29 18.516 13.843 -0.802 60 HG3 PRO 29 HG3 PRO 29 16.874 13.801 -1.480 61 HD2 PRO 29 HD2 PRO 29 17.733 12.486 0.802 62 HD3 PRO 29 HD3 PRO 29 16.343 11.937 -0.176 63 H LYS 30 H LYS 30 21.005 11.322 -3.229 64 HA LYS 30 HA LYS 30 23.068 12.000 -1.220 65 HB2 LYS 30 HB2 LYS 30 23.384 10.467 -3.263 66 HB3 LYS 30 HB3 LYS 30 23.325 11.923 -4.261 67 HG2 LYS 30 HG2 LYS 30 25.302 12.813 -2.947 68 HG3 LYS 30 HG3 LYS 30 25.322 11.296 -2.034 69 HD2 LYS 30 HD2 LYS 30 25.761 10.054 -4.162 70 HD3 LYS 30 HD3 LYS 30 25.661 11.577 -5.054 71 HE2 LYS 30 HE2 LYS 30 27.969 11.207 -4.805 72 HE3 LYS 30 HE3 LYS 30 27.572 12.461 -3.626 73 HZ1 LYS 30 HZ1 LYS 30 27.583 10.718 -1.894 74 HZ2 LYS 30 HZ2 LYS 30 27.915 9.562 -3.004 75 HZ3 LYS 30 HZ3 LYS 30 29.008 10.725 -2.682 76 H LEU 31 H LEU 31 24.353 14.035 -1.509 77 HA LEU 31 HA LEU 31 22.815 16.318 -1.253 78 HB2 LEU 31 HB2 LEU 31 25.743 15.887 -1.880 79 HB3 LEU 31 HB3 LEU 31 25.074 17.512 -1.898 80 HG LEU 31 HG LEU 31 24.322 17.288 0.427 81 HD11 LEU 31 HD11 LEU 31 25.197 15.440 1.842 82 HD12 LEU 31 HD12 LEU 31 23.997 14.877 0.684 83 HD13 LEU 31 HD13 LEU 31 25.734 14.583 0.383 84 HD21 LEU 31 HD21 LEU 31 27.260 16.594 0.008 85 HD22 LEU 31 HD22 LEU 31 26.545 18.218 -0.110 86 HD23 LEU 31 HD23 LEU 31 26.559 17.373 1.445 87 HA PRO 32 HA PRO 32 23.307 17.692 -5.811 88 HB2 PRO 32 HB2 PRO 32 23.640 15.077 -7.254 89 HB3 PRO 32 HB3 PRO 32 24.316 16.686 -7.650 90 HG2 PRO 32 HG2 PRO 32 25.891 14.801 -6.513 91 HG3 PRO 32 HG3 PRO 32 25.962 16.493 -5.908 92 HD2 PRO 32 HD2 PRO 32 24.370 14.167 -4.778 93 HD3 PRO 32 HD3 PRO 32 25.484 15.278 -3.930 94 H LEU 33 H LEU 33 21.705 14.628 -5.014 95 HA LEU 33 HA LEU 33 19.435 15.133 -6.835 96 HB2 LEU 33 HB2 LEU 33 20.241 12.878 -4.988 97 HB3 LEU 33 HB3 LEU 33 18.577 13.031 -5.547 98 HG LEU 33 HG LEU 33 19.322 12.984 -7.896 99 HD11 LEU 33 HD11 LEU 33 21.600 12.093 -8.419 100 HD12 LEU 33 HD12 LEU 33 21.624 13.738 -7.794 101 HD13 LEU 33 HD13 LEU 33 22.071 12.379 -6.729 102 HD21 LEU 33 HD21 LEU 33 20.261 10.619 -6.217 103 HD22 LEU 33 HD22 LEU 33 18.585 10.937 -6.723 104 HD23 LEU 33 HD23 LEU 33 19.819 10.574 -7.938 105 H LEU 34 H LEU 34 20.149 15.468 -3.384 106 HA LEU 34 HA LEU 34 17.524 16.066 -2.466 107 HB2 LEU 34 HB2 LEU 34 19.634 15.657 -1.116 108 HB3 LEU 34 HB3 LEU 34 20.205 17.239 -1.538 109 HG LEU 34 HG LEU 34 17.527 17.019 -0.086 110 HD11 LEU 34 HD11 LEU 34 20.285 16.889 1.211 111 HD12 LEU 34 HD12 LEU 34 18.733 17.074 2.058 112 HD13 LEU 34 HD13 LEU 34 19.088 15.575 1.187 113 HD21 LEU 34 HD21 LEU 34 19.798 19.047 -0.007 114 HD22 LEU 34 HD22 LEU 34 18.244 19.249 -0.845 115 HD23 LEU 34 HD23 LEU 34 18.281 19.132 0.912 116 H LYS 35 H LYS 35 19.913 18.216 -4.070 117 HA LYS 35 HA LYS 35 18.297 20.576 -3.574 118 HB2 LYS 35 HB2 LYS 35 19.810 21.864 -4.763 119 HB3 LYS 35 HB3 LYS 35 20.460 20.881 -3.462 120 HG2 LYS 35 HG2 LYS 35 21.242 19.238 -5.340 121 HG3 LYS 35 HG3 LYS 35 20.901 20.595 -6.454 122 HD2 LYS 35 HD2 LYS 35 22.226 22.054 -4.812 123 HD3 LYS 35 HD3 LYS 35 22.610 20.578 -3.940 124 HE2 LYS 35 HE2 LYS 35 24.538 21.088 -5.264 125 HE3 LYS 35 HE3 LYS 35 23.768 19.695 -6.021 126 HZ1 LYS 35 HZ1 LYS 35 22.801 21.231 -7.681 127 HZ2 LYS 35 HZ2 LYS 35 23.490 22.519 -6.941 128 HZ3 LYS 35 HZ3 LYS 35 24.423 21.393 -7.654 129 H ILE 36 H ILE 36 18.336 18.284 -6.190 130 HA ILE 36 HA ILE 36 16.773 19.778 -8.102 131 HB ILE 36 HB ILE 36 16.880 16.775 -7.596 132 HG12 ILE 36 HG12 ILE 36 18.348 18.452 -9.677 133 HG13 ILE 36 HG13 ILE 36 19.077 17.943 -8.170 134 HG21 ILE 36 HG21 ILE 36 15.999 16.526 -9.891 135 HG22 ILE 36 HG22 ILE 36 14.855 17.430 -8.917 136 HG23 ILE 36 HG23 ILE 36 15.905 18.288 -10.065 137 HD11 ILE 36 HD11 ILE 36 18.153 16.104 -10.392 138 HD12 ILE 36 HD12 ILE 36 19.805 16.392 -9.800 139 HD13 ILE 36 HD13 ILE 36 18.643 15.553 -8.765 140 H LEU 37 H LEU 37 15.753 17.431 -5.520 141 HA LEU 37 HA LEU 37 12.979 18.194 -5.841 142 HB2 LEU 37 HB2 LEU 37 14.528 16.427 -3.938 143 HB3 LEU 37 HB3 LEU 37 13.074 17.095 -3.344 144 HG LEU 37 HG LEU 37 12.460 15.005 -4.173 145 HD11 LEU 37 HD11 LEU 37 11.006 16.936 -4.962 146 HD12 LEU 37 HD12 LEU 37 11.674 16.658 -6.579 147 HD13 LEU 37 HD13 LEU 37 10.793 15.358 -5.762 148 HD21 LEU 37 HD21 LEU 37 14.464 14.557 -5.562 149 HD22 LEU 37 HD22 LEU 37 12.927 14.069 -6.301 150 HD23 LEU 37 HD23 LEU 37 13.759 15.550 -6.856 151 H HIS 38 H HIS 38 15.558 19.558 -3.838 152 HA HIS 38 HA HIS 38 13.822 21.228 -2.286 153 HB2 HIS 38 HB2 HIS 38 16.497 20.645 -2.211 154 HB3 HIS 38 HB3 HIS 38 16.552 22.275 -2.877 155 HD2 HIS 38 HD2 HIS 38 14.577 20.433 -0.071 156 HE1 HIS 38 HE1 HIS 38 15.947 24.123 1.595 157 HE2 HIS 38 HE2 HIS 38 14.646 21.986 2.077 158 H ALA 39 H ALA 39 15.193 21.745 -5.545 159 HA ALA 39 HA ALA 39 14.351 24.412 -5.897 160 HB1 ALA 39 HB1 ALA 39 14.276 22.190 -7.981 161 HB2 ALA 39 HB2 ALA 39 14.406 23.921 -8.285 162 HB3 ALA 39 HB3 ALA 39 15.750 23.069 -7.499 163 H ALA 40 H ALA 40 12.395 21.546 -5.582 164 HA ALA 40 HA ALA 40 9.921 23.006 -6.326 165 HB1 ALA 40 HB1 ALA 40 10.463 20.025 -6.057 166 HB2 ALA 40 HB2 ALA 40 8.920 20.766 -6.533 167 HB3 ALA 40 HB3 ALA 40 10.339 20.976 -7.559 168 H GLY 41 H GLY 41 11.514 23.209 -3.685 169 HA2 GLY 41 HA2 GLY 41 10.858 23.823 -1.584 170 HA3 GLY 41 HA3 GLY 41 9.178 23.588 -2.066 171 H ALA 42 H ALA 42 11.233 20.795 -2.355 172 HA ALA 42 HA ALA 42 9.709 19.351 -0.355 173 HB1 ALA 42 HB1 ALA 42 10.796 17.442 -1.364 174 HB2 ALA 42 HB2 ALA 42 10.473 18.580 -2.680 175 HB3 ALA 42 HB3 ALA 42 12.109 18.476 -1.981 176 H GLN 43 H GLN 43 11.709 17.499 0.439 177 HA GLN 43 HA GLN 43 14.053 18.830 1.631 178 HB2 GLN 43 HB2 GLN 43 13.740 17.825 3.842 179 HB3 GLN 43 HB3 GLN 43 12.543 19.055 3.463 180 HG2 GLN 43 HG2 GLN 43 10.864 17.253 2.974 181 HG3 GLN 43 HG3 GLN 43 12.064 16.045 3.459 182 HE21 GLN 43 HE22 GLN 43 10.102 18.808 4.675 183 HE22 GLN 43 HE21 GLN 43 10.214 18.307 6.356 184 H GLY 44 H GLY 44 14.497 17.765 -0.444 185 HA2 GLY 44 HA2 GLY 44 15.646 16.195 -1.602 186 HA3 GLY 44 HA3 GLY 44 15.957 15.339 -0.079 187 H GLU 45 H GLU 45 15.297 13.352 -0.249 188 HA GLU 45 HA GLU 45 12.667 12.577 -1.374 189 HB2 GLU 45 HB2 GLU 45 15.293 11.238 -2.132 190 HB3 GLU 45 HB3 GLU 45 13.683 10.648 -2.536 191 HG2 GLU 45 HG2 GLU 45 13.253 12.800 -3.762 192 HG3 GLU 45 HG3 GLU 45 14.958 13.215 -3.526 193 H MET 46 H MET 46 13.919 12.905 1.330 194 HA MET 46 HA MET 46 14.322 10.251 2.427 195 HB2 MET 46 HB2 MET 46 15.594 12.102 3.059 196 HB3 MET 46 HB3 MET 46 14.162 12.925 3.734 197 HG2 MET 46 HG2 MET 46 13.979 11.061 5.419 198 HG3 MET 46 HG3 MET 46 15.420 10.325 4.727 199 HE1 MET 46 HE1 MET 46 16.582 11.586 8.256 200 HE2 MET 46 HE2 MET 46 14.986 10.938 7.818 201 HE3 MET 46 HE3 MET 46 16.461 10.196 7.155 202 H PHE 47 H PHE 47 12.121 9.811 1.354 203 HA PHE 47 HA PHE 47 10.065 9.239 3.299 204 HB2 PHE 47 HB2 PHE 47 8.340 10.826 2.229 205 HB3 PHE 47 HB3 PHE 47 9.457 11.415 3.429 206 HD1 PHE 47 HD1 PHE 47 9.363 11.022 -0.323 207 HD2 PHE 47 HD2 PHE 47 10.508 13.474 3.029 208 HE1 PHE 47 HE1 PHE 47 10.054 12.844 -1.866 209 HE2 PHE 47 HE2 PHE 47 11.263 15.251 1.454 210 HZ PHE 47 HZ PHE 47 10.942 14.963 -0.977 211 H THR 48 H THR 48 7.964 8.564 2.188 212 HA THR 48 HA THR 48 8.558 6.386 0.498 213 HB THR 48 HB THR 48 5.718 7.325 0.824 214 HG1 THR 48 HG1 THR 48 5.752 6.707 3.001 215 HG21 THR 48 HG21 THR 48 5.395 4.969 1.584 216 HG22 THR 48 HG22 THR 48 6.070 5.038 -0.038 217 HG23 THR 48 HG23 THR 48 7.125 4.662 1.349 218 H VAL 49 H VAL 49 7.310 5.721 -1.401 219 HA VAL 49 HA VAL 49 7.945 7.058 -3.732 220 HB VAL 49 HB VAL 49 5.591 5.173 -3.296 221 HG11 VAL 49 HG11 VAL 49 5.993 4.571 -5.712 222 HG12 VAL 49 HG12 VAL 49 5.322 6.181 -5.469 223 HG13 VAL 49 HG13 VAL 49 7.043 6.000 -5.838 224 HG21 VAL 49 HG21 VAL 49 7.584 4.077 -2.517 225 HG22 VAL 49 HG22 VAL 49 7.241 3.443 -4.122 226 HG23 VAL 49 HG23 VAL 49 8.526 4.653 -3.903 227 H LYS 50 H LYS 50 4.821 7.174 -2.042 228 HA LYS 50 HA LYS 50 3.550 8.910 -3.922 229 HB2 LYS 50 HB2 LYS 50 1.784 9.171 -2.209 230 HB3 LYS 50 HB3 LYS 50 2.241 7.484 -2.446 231 HG2 LYS 50 HG2 LYS 50 3.631 7.554 -0.389 232 HG3 LYS 50 HG3 LYS 50 3.202 9.258 -0.152 233 HD2 LYS 50 HD2 LYS 50 0.845 8.664 0.135 234 HD3 LYS 50 HD3 LYS 50 1.205 6.954 -0.203 235 HE2 LYS 50 HE2 LYS 50 2.687 6.843 1.764 236 HE3 LYS 50 HE3 LYS 50 2.440 8.561 2.084 237 HZ1 LYS 50 HZ1 LYS 50 0.072 8.079 2.484 238 HZ2 LYS 50 HZ2 LYS 50 0.298 6.489 2.183 239 HZ3 LYS 50 HZ3 LYS 50 0.995 7.182 3.483 240 H GLU 51 H GLU 51 5.653 9.689 -1.258 241 HA GLU 51 HA GLU 51 4.975 12.556 -1.367 242 HB2 GLU 51 HB2 GLU 51 7.157 11.054 0.114 243 HB3 GLU 51 HB3 GLU 51 6.825 12.781 0.265 244 HG2 GLU 51 HG2 GLU 51 4.964 10.494 1.039 245 HG3 GLU 51 HG3 GLU 51 5.902 11.489 2.135 246 H VAL 52 H VAL 52 7.797 10.475 -2.445 247 HA VAL 52 HA VAL 52 9.241 12.671 -3.700 248 HB VAL 52 HB VAL 52 10.203 11.110 -5.203 249 HG11 VAL 52 HG11 VAL 52 11.257 11.430 -3.020 250 HG12 VAL 52 HG12 VAL 52 10.260 10.115 -2.325 251 HG13 VAL 52 HG13 VAL 52 11.480 9.772 -3.559 252 HG21 VAL 52 HG21 VAL 52 8.476 9.368 -5.519 253 HG22 VAL 52 HG22 VAL 52 10.005 8.692 -4.983 254 HG23 VAL 52 HG23 VAL 52 8.708 8.923 -3.800 255 H MET 53 H MET 53 6.792 10.561 -5.108 256 HA MET 53 HA MET 53 6.856 11.948 -7.626 257 HB2 MET 53 HB2 MET 53 5.111 10.619 -8.353 258 HB3 MET 53 HB3 MET 53 6.031 9.607 -7.244 259 HG2 MET 53 HG2 MET 53 4.355 10.166 -5.457 260 HG3 MET 53 HG3 MET 53 3.391 11.017 -6.661 261 HE1 MET 53 HE1 MET 53 3.659 9.160 -9.278 262 HE2 MET 53 HE2 MET 53 2.195 8.188 -9.047 263 HE3 MET 53 HE3 MET 53 2.175 9.929 -8.674 264 H HIS 54 H HIS 54 5.059 12.711 -4.697 265 HA HIS 54 HA HIS 54 3.236 14.664 -5.810 266 HB2 HIS 54 HB2 HIS 54 2.609 14.054 -3.673 267 HB3 HIS 54 HB3 HIS 54 4.245 13.855 -3.117 268 HD2 HIS 54 HD2 HIS 54 5.157 15.567 -1.513 269 HE1 HIS 54 HE1 HIS 54 2.879 18.972 -2.657 270 HE2 HIS 54 HE2 HIS 54 4.654 18.105 -1.053 271 H TYR 55 H TYR 55 6.332 15.234 -4.006 272 HA TYR 55 HA TYR 55 6.731 17.838 -4.858 273 HB2 TYR 55 HB2 TYR 55 8.885 15.783 -4.343 274 HB3 TYR 55 HB3 TYR 55 9.054 17.544 -4.332 275 HD1 TYR 55 HD2 TYR 55 7.619 18.880 -2.639 276 HD2 TYR 55 HD1 TYR 55 8.557 14.705 -2.294 277 HE1 TYR 55 HE2 TYR 55 7.093 18.989 -0.210 278 HE2 TYR 55 HE1 TYR 55 8.017 14.798 0.150 279 HH TYR 55 HH TYR 55 6.964 17.819 1.769 280 H LEU 56 H LEU 56 7.560 14.863 -6.721 281 HA LEU 56 HA LEU 56 8.927 16.258 -8.820 282 HB2 LEU 56 HB2 LEU 56 8.347 13.552 -8.216 283 HB3 LEU 56 HB3 LEU 56 7.525 13.847 -9.731 284 HG LEU 56 HG LEU 56 9.725 14.738 -10.653 285 HD11 LEU 56 HD11 LEU 56 11.791 14.039 -9.402 286 HD12 LEU 56 HD12 LEU 56 10.889 15.291 -8.548 287 HD13 LEU 56 HD13 LEU 56 10.779 13.601 -8.015 288 HD21 LEU 56 HD21 LEU 56 10.723 12.462 -10.870 289 HD22 LEU 56 HD22 LEU 56 9.670 11.888 -9.564 290 HD23 LEU 56 HD23 LEU 56 8.972 12.450 -11.105 291 H GLY 57 H GLY 57 5.437 15.396 -8.514 292 HA2 GLY 57 HA2 GLY 57 4.543 16.351 -11.023 293 HA3 GLY 57 HA3 GLY 57 3.605 16.360 -9.525 294 H GLN 58 H GLN 58 4.862 18.184 -7.918 295 HA GLN 58 HA GLN 58 4.279 20.689 -9.224 296 HB2 GLN 58 HB2 GLN 58 4.629 21.796 -7.186 297 HB3 GLN 58 HB3 GLN 58 3.735 20.303 -6.907 298 HG2 GLN 58 HG2 GLN 58 5.938 19.257 -6.201 299 HG3 GLN 58 HG3 GLN 58 6.655 20.869 -6.266 300 HE21 GLN 58 HE22 GLN 58 7.148 20.670 -3.913 301 HE22 GLN 58 HE21 GLN 58 5.840 20.728 -2.751 302 H TYR 59 H TYR 59 7.425 19.041 -8.635 303 HA TYR 59 HA TYR 59 9.113 21.166 -9.499 304 HB2 TYR 59 HB2 TYR 59 9.928 18.962 -8.621 305 HB3 TYR 59 HB3 TYR 59 9.404 18.189 -10.094 306 HD1 TYR 59 HD1 TYR 59 10.484 18.807 -12.328 307 HD2 TYR 59 HD2 TYR 59 12.098 20.025 -8.509 308 HE1 TYR 59 HE1 TYR 59 12.710 19.163 -13.375 309 HE2 TYR 59 HE2 TYR 59 14.300 20.407 -9.583 310 HH TYR 59 HH TYR 59 14.954 19.634 -12.998 311 H ILE 60 H ILE 60 7.494 18.644 -11.503 312 HA ILE 60 HA ILE 60 8.293 19.670 -14.056 313 HB ILE 60 HB ILE 60 5.804 18.118 -13.252 314 HG12 ILE 60 HG12 ILE 60 8.231 16.880 -14.593 315 HG13 ILE 60 HG13 ILE 60 8.227 17.094 -12.853 316 HG21 ILE 60 HG21 ILE 60 5.761 17.385 -15.661 317 HG22 ILE 60 HG22 ILE 60 5.456 19.104 -15.468 318 HG23 ILE 60 HG23 ILE 60 7.056 18.552 -16.004 319 HD11 ILE 60 HD11 ILE 60 6.184 15.497 -14.442 320 HD12 ILE 60 HD12 ILE 60 7.389 14.893 -13.284 321 HD13 ILE 60 HD13 ILE 60 6.031 15.876 -12.716 322 H MET 61 H MET 61 5.373 20.381 -12.061 323 HA MET 61 HA MET 61 4.226 22.170 -13.965 324 HB2 MET 61 HB2 MET 61 3.051 20.989 -12.123 325 HB3 MET 61 HB3 MET 61 3.833 22.053 -10.957 326 HG2 MET 61 HG2 MET 61 1.505 22.720 -11.487 327 HG3 MET 61 HG3 MET 61 2.686 23.982 -11.795 328 HE1 MET 61 HE1 MET 61 0.595 21.590 -15.210 329 HE2 MET 61 HE2 MET 61 1.915 20.889 -14.258 330 HE3 MET 61 HE3 MET 61 0.349 21.245 -13.486 331 H VAL 62 H VAL 62 6.602 22.818 -11.372 332 HA VAL 62 HA VAL 62 6.650 25.699 -11.770 333 HB VAL 62 HB VAL 62 8.512 23.787 -10.419 334 HG11 VAL 62 HG11 VAL 62 9.955 25.618 -11.167 335 HG12 VAL 62 HG12 VAL 62 8.778 26.818 -10.580 336 HG13 VAL 62 HG13 VAL 62 9.656 25.776 -9.438 337 HG21 VAL 62 HG21 VAL 62 6.306 24.301 -9.335 338 HG22 VAL 62 HG22 VAL 62 7.689 24.854 -8.383 339 HG23 VAL 62 HG23 VAL 62 6.739 26.018 -9.337 340 H LYS 63 H LYS 63 8.831 23.062 -12.871 341 HA LYS 63 HA LYS 63 10.393 24.747 -14.647 342 HB2 LYS 63 HB2 LYS 63 10.233 21.854 -13.970 343 HB3 LYS 63 HB3 LYS 63 10.527 22.124 -15.668 344 HG2 LYS 63 HG2 LYS 63 12.637 21.923 -14.635 345 HG3 LYS 63 HG3 LYS 63 12.443 23.611 -15.118 346 HD2 LYS 63 HD2 LYS 63 11.742 24.099 -12.704 347 HD3 LYS 63 HD3 LYS 63 12.220 22.449 -12.297 348 HE2 LYS 63 HE2 LYS 63 14.021 24.584 -13.555 349 HE3 LYS 63 HE3 LYS 63 13.962 24.214 -11.832 350 HZ1 LYS 63 HZ1 LYS 63 14.768 21.958 -12.345 351 HZ2 LYS 63 HZ2 LYS 63 14.843 22.285 -13.952 352 HZ3 LYS 63 HZ3 LYS 63 15.810 23.081 -12.902 353 H GLN 64 H GLN 64 7.270 23.389 -15.018 354 HA GLN 64 HA GLN 64 5.781 23.252 -16.644 355 HB2 GLN 64 HB2 GLN 64 5.189 25.338 -17.738 356 HB3 GLN 64 HB3 GLN 64 5.526 25.480 -16.025 357 HG2 GLN 64 HG2 GLN 64 7.905 26.305 -16.758 358 HG3 GLN 64 HG3 GLN 64 7.187 26.496 -18.356 359 HE21 GLN 64 HE22 GLN 64 7.075 27.515 -14.925 360 HE22 GLN 64 HE21 GLN 64 6.215 29.023 -15.235 361 H LEU 65 H LEU 65 7.732 21.696 -17.279 362 HA LEU 65 HA LEU 65 8.554 22.173 -20.062 363 HB2 LEU 65 HB2 LEU 65 10.129 21.779 -18.106 364 HB3 LEU 65 HB3 LEU 65 9.599 20.103 -18.097 365 HG LEU 65 HG LEU 65 10.603 19.757 -20.321 366 HD11 LEU 65 HD11 LEU 65 11.965 21.558 -21.387 367 HD12 LEU 65 HD12 LEU 65 10.233 21.880 -21.439 368 HD13 LEU 65 HD13 LEU 65 11.255 22.728 -20.251 369 HD21 LEU 65 HD21 LEU 65 12.028 19.660 -18.261 370 HD22 LEU 65 HD22 LEU 65 12.944 20.116 -19.717 371 HD23 LEU 65 HD23 LEU 65 12.486 21.350 -18.527 372 H TYR 66 H TYR 66 5.851 21.173 -19.266 373 HA TYR 66 HA TYR 66 5.633 18.585 -20.677 374 HB2 TYR 66 HB2 TYR 66 3.182 18.934 -20.163 375 HB3 TYR 66 HB3 TYR 66 4.240 18.728 -18.781 376 HD1 TYR 66 HD1 TYR 66 2.554 21.375 -20.839 377 HD2 TYR 66 HD2 TYR 66 4.352 20.354 -17.067 378 HE1 TYR 66 HE1 TYR 66 1.834 23.569 -19.922 379 HE2 TYR 66 HE2 TYR 66 3.572 22.535 -16.115 380 HH TYR 66 HH TYR 66 1.788 24.948 -18.074 381 H ASP 67 H ASP 67 3.946 18.446 -22.449 382 HA ASP 67 HA ASP 67 4.628 20.402 -24.492 383 HB2 ASP 67 HB2 ASP 67 4.242 17.942 -24.930 384 HB3 ASP 67 HB3 ASP 67 2.528 18.250 -24.707 385 H GLN 68 H GLN 68 3.263 21.714 -25.674 386 HA GLN 68 HA GLN 68 1.542 23.382 -24.064 387 HB2 GLN 68 HB2 GLN 68 1.650 23.623 -27.067 388 HB3 GLN 68 HB3 GLN 68 1.511 24.866 -25.863 389 HG2 GLN 68 HG2 GLN 68 3.596 25.036 -27.073 390 HG3 GLN 68 HG3 GLN 68 3.911 24.696 -25.367 391 HE21 GLN 68 HE22 GLN 68 3.058 22.349 -28.068 392 HE22 GLN 68 HE21 GLN 68 4.416 21.325 -27.668 393 H GLN 69 H GLN 69 1.027 20.973 -26.637 394 HA GLN 69 HA GLN 69 -1.904 21.408 -26.702 395 HB2 GLN 69 HB2 GLN 69 -0.007 19.766 -28.427 396 HB3 GLN 69 HB3 GLN 69 -1.757 19.694 -28.537 397 HG2 GLN 69 HG2 GLN 69 -1.125 21.170 -30.242 398 HG3 GLN 69 HG3 GLN 69 -1.824 22.164 -28.977 399 HE21 GLN 69 HE22 GLN 69 -0.747 24.070 -29.831 400 HE22 GLN 69 HE21 GLN 69 0.992 24.262 -29.683 401 H GLU 70 H GLU 70 0.434 19.227 -25.279 402 HA GLU 70 HA GLU 70 -1.838 17.893 -23.910 403 HB2 GLU 70 HB2 GLU 70 -0.444 15.699 -24.162 404 HB3 GLU 70 HB3 GLU 70 -1.674 16.183 -25.317 405 HG2 GLU 70 HG2 GLU 70 0.063 17.081 -26.850 406 HG3 GLU 70 HG3 GLU 70 1.318 16.575 -25.710 407 H GLN 71 H GLN 71 -1.409 19.009 -22.110 408 HA GLN 71 HA GLN 71 0.981 19.176 -20.649 409 HB2 GLN 71 HB2 GLN 71 -1.937 19.015 -19.771 410 HB3 GLN 71 HB3 GLN 71 -0.611 19.339 -18.667 411 HG2 GLN 71 HG2 GLN 71 -1.592 21.446 -19.248 412 HG3 GLN 71 HG3 GLN 71 0.019 21.355 -19.934 413 HE21 GLN 71 HE22 GLN 71 -0.458 23.021 -21.502 414 HE22 GLN 71 HE21 GLN 71 -1.442 22.639 -22.905 415 H HIS 72 H HIS 72 -0.934 16.336 -21.230 416 HA HIS 72 HA HIS 72 -0.120 14.835 -18.934 417 HB2 HIS 72 HB2 HIS 72 -1.544 13.276 -19.700 418 HB3 HIS 72 HB3 HIS 72 -2.066 14.501 -20.829 419 HD2 HIS 72 HD2 HIS 72 -0.529 11.092 -20.641 420 HE1 HIS 72 HE1 HIS 72 0.365 12.346 -24.610 421 HE2 HIS 72 HE2 HIS 72 0.384 10.370 -23.008 422 H MET 73 H MET 73 1.505 15.646 -21.866 423 HA MET 73 HA MET 73 3.522 13.489 -21.626 424 HB2 MET 73 HB2 MET 73 2.499 13.889 -23.827 425 HB3 MET 73 HB3 MET 73 3.038 15.574 -23.789 426 HG2 MET 73 HG2 MET 73 4.522 14.226 -25.167 427 HG3 MET 73 HG3 MET 73 5.384 14.850 -23.765 428 HE1 MET 73 HE1 MET 73 7.358 13.286 -24.147 429 HE2 MET 73 HE2 MET 73 7.260 11.518 -24.333 430 HE3 MET 73 HE3 MET 73 6.596 12.583 -25.592 431 H VAL 74 H VAL 74 5.545 13.896 -20.835 432 HA VAL 74 HA VAL 74 6.227 16.700 -20.016 433 HB VAL 74 HB VAL 74 6.808 14.112 -18.534 434 HG11 VAL 74 HG11 VAL 74 7.472 15.712 -16.710 435 HG12 VAL 74 HG12 VAL 74 8.549 15.748 -18.098 436 HG13 VAL 74 HG13 VAL 74 7.349 17.043 -17.881 437 HG21 VAL 74 HG21 VAL 74 4.813 16.346 -17.952 438 HG22 VAL 74 HG22 VAL 74 4.416 14.665 -18.365 439 HG23 VAL 74 HG23 VAL 74 5.226 15.019 -16.841 440 H TYR 75 H TYR 75 8.159 17.468 -20.648 441 HA TYR 75 HA TYR 75 10.232 15.626 -21.733 442 HB2 TYR 75 HB2 TYR 75 9.690 18.549 -22.301 443 HB3 TYR 75 HB3 TYR 75 11.136 17.689 -22.803 444 HD1 TYR 75 HD1 TYR 75 10.963 15.608 -24.181 445 HD2 TYR 75 HD2 TYR 75 7.602 18.235 -23.534 446 HE1 TYR 75 HE1 TYR 75 9.738 14.469 -25.990 447 HE2 TYR 75 HE2 TYR 75 6.389 17.129 -25.417 448 HH TYR 75 HH TYR 75 7.816 14.430 -27.299 449 H CYS 76 H CYS 76 12.441 16.260 -21.294 450 HA CYS 76 HA CYS 76 13.063 17.754 -18.796 451 HB2 CYS 76 HB2 CYS 76 13.066 14.803 -19.208 452 HB3 CYS 76 HB3 CYS 76 14.510 15.460 -18.434 453 HG CYS 76 HG CYS 76 11.398 16.268 -17.642 454 H GLY 77 H GLY 77 13.644 18.197 -21.715 455 HA2 GLY 77 HA2 GLY 77 16.187 17.258 -22.403 456 HA3 GLY 77 HA3 GLY 77 15.419 18.681 -23.114 457 H GLY 78 H GLY 78 18.076 17.602 -21.470 458 HA2 GLY 78 HA2 GLY 78 19.895 18.593 -20.517 459 HA3 GLY 78 HA3 GLY 78 19.241 20.173 -20.950 460 H ASP 79 H ASP 79 17.128 18.241 -18.814 461 HA ASP 79 HA ASP 79 17.766 20.166 -16.668 462 HB2 ASP 79 HB2 ASP 79 15.443 19.974 -17.624 463 HB3 ASP 79 HB3 ASP 79 15.358 18.351 -16.931 464 H LEU 80 H LEU 80 18.123 19.537 -14.566 465 HA LEU 80 HA LEU 80 19.681 17.210 -14.115 466 HB2 LEU 80 HB2 LEU 80 18.354 19.222 -12.278 467 HB3 LEU 80 HB3 LEU 80 19.183 17.808 -11.665 468 HG LEU 80 HG LEU 80 20.604 19.729 -11.533 469 HD11 LEU 80 HD11 LEU 80 21.720 17.802 -13.608 470 HD12 LEU 80 HD12 LEU 80 22.621 18.792 -12.449 471 HD13 LEU 80 HD13 LEU 80 21.600 17.469 -11.864 472 HD21 LEU 80 HD21 LEU 80 20.661 19.827 -14.572 473 HD22 LEU 80 HD22 LEU 80 19.810 20.988 -13.519 474 HD23 LEU 80 HD23 LEU 80 21.572 20.841 -13.442 475 H LEU 81 H LEU 81 16.194 17.648 -13.988 476 HA LEU 81 HA LEU 81 15.612 15.189 -12.575 477 HB2 LEU 81 HB2 LEU 81 14.017 17.071 -12.832 478 HB3 LEU 81 HB3 LEU 81 13.971 16.794 -14.578 479 HG LEU 81 HG LEU 81 12.983 14.523 -14.165 480 HD11 LEU 81 HD11 LEU 81 12.136 13.966 -11.911 481 HD12 LEU 81 HD12 LEU 81 13.894 14.052 -11.907 482 HD13 LEU 81 HD13 LEU 81 12.948 15.399 -11.239 483 HD21 LEU 81 HD21 LEU 81 11.429 16.657 -12.670 484 HD22 LEU 81 HD22 LEU 81 11.504 16.539 -14.440 485 HD23 LEU 81 HD23 LEU 81 10.780 15.229 -13.492 486 H GLY 82 H GLY 82 16.126 15.978 -16.033 487 HA2 GLY 82 HA2 GLY 82 15.535 13.321 -17.074 488 HA3 GLY 82 HA3 GLY 82 16.458 14.599 -17.881 489 H GLU 83 H GLU 83 18.532 14.980 -15.874 490 HA GLU 83 HA GLU 83 20.317 12.805 -16.388 491 HB2 GLU 83 HB2 GLU 83 21.102 15.019 -16.077 492 HB3 GLU 83 HB3 GLU 83 20.164 15.217 -14.610 493 HG2 GLU 83 HG2 GLU 83 22.447 15.092 -14.062 494 HG3 GLU 83 HG3 GLU 83 21.532 13.756 -13.371 495 H LEU 84 H LEU 84 18.195 13.574 -13.582 496 HA LEU 84 HA LEU 84 19.096 11.454 -11.910 497 HB2 LEU 84 HB2 LEU 84 17.739 13.586 -11.381 498 HB3 LEU 84 HB3 LEU 84 16.309 12.682 -11.858 499 HG LEU 84 HG LEU 84 18.238 11.998 -9.602 500 HD11 LEU 84 HD11 LEU 84 15.393 13.098 -9.523 501 HD12 LEU 84 HD12 LEU 84 16.419 12.734 -8.119 502 HD13 LEU 84 HD13 LEU 84 16.866 14.041 -9.222 503 HD21 LEU 84 HD21 LEU 84 16.429 10.471 -8.785 504 HD22 LEU 84 HD22 LEU 84 15.597 10.681 -10.334 505 HD23 LEU 84 HD23 LEU 84 17.205 9.913 -10.256 506 H LEU 85 H LEU 85 16.250 11.663 -14.087 507 HA LEU 85 HA LEU 85 15.420 8.906 -13.623 508 HB2 LEU 85 HB2 LEU 85 14.520 11.210 -15.348 509 HB3 LEU 85 HB3 LEU 85 14.042 9.601 -15.833 510 HG LEU 85 HG LEU 85 12.908 9.170 -13.744 511 HD11 LEU 85 HD11 LEU 85 14.209 10.445 -12.129 512 HD12 LEU 85 HD12 LEU 85 13.759 11.970 -12.927 513 HD13 LEU 85 HD13 LEU 85 12.531 10.995 -12.088 514 HD21 LEU 85 HD21 LEU 85 12.166 11.898 -14.879 515 HD22 LEU 85 HD22 LEU 85 11.715 10.338 -15.593 516 HD23 LEU 85 HD23 LEU 85 11.084 10.797 -14.003 517 H GLY 86 H GLY 86 17.649 10.355 -15.911 518 HA2 GLY 86 HA2 GLY 86 19.178 9.259 -17.275 519 HA3 GLY 86 HA3 GLY 86 18.348 7.720 -17.031 520 H ARG 87 H ARG 87 16.192 10.227 -17.908 521 HA ARG 87 HA ARG 87 16.458 10.007 -20.790 522 HB2 ARG 87 HB2 ARG 87 14.062 9.291 -21.164 523 HB3 ARG 87 HB3 ARG 87 15.131 8.022 -20.664 524 HG2 ARG 87 HG2 ARG 87 13.393 9.481 -18.649 525 HG3 ARG 87 HG3 ARG 87 12.738 8.178 -19.628 526 HD2 ARG 87 HD2 ARG 87 15.297 7.597 -18.172 527 HD3 ARG 87 HD3 ARG 87 13.845 7.798 -17.202 528 HE ARG 87 HE ARG 87 13.314 5.972 -19.341 529 HH11 ARG 87 HH11 ARG 87 15.235 6.098 -16.375 530 HH12 ARG 87 HH12 ARG 87 15.069 4.360 -16.128 531 HH21 ARG 87 HH22 ARG 87 13.234 3.742 -18.916 532 HH22 ARG 87 HH21 ARG 87 14.054 3.123 -17.503 533 H GLN 88 H GLN 88 15.302 11.460 -21.983 534 HA GLN 88 HA GLN 88 14.631 13.871 -20.403 535 HB2 GLN 88 HB2 GLN 88 15.522 13.598 -23.278 536 HB3 GLN 88 HB3 GLN 88 15.151 15.125 -22.445 537 HG2 GLN 88 HG2 GLN 88 16.853 14.656 -20.735 538 HG3 GLN 88 HG3 GLN 88 17.260 13.124 -21.516 539 HE21 GLN 88 HE22 GLN 88 18.016 13.310 -23.924 540 HE22 GLN 88 HE21 GLN 88 19.031 14.704 -24.264 541 H SER 89 H SER 89 12.755 11.503 -21.391 542 HA SER 89 HA SER 89 10.492 13.328 -21.263 543 HB2 SER 89 HB2 SER 89 9.296 12.576 -23.233 544 HB3 SER 89 HB3 SER 89 10.816 13.358 -23.670 545 HG SER 89 HG SER 89 10.531 11.421 -24.869 546 H PHE 90 H PHE 90 8.534 12.454 -20.684 547 HA PHE 90 HA PHE 90 8.000 9.628 -20.489 548 HB2 PHE 90 HB2 PHE 90 7.780 9.483 -18.049 549 HB3 PHE 90 HB3 PHE 90 9.426 9.757 -18.547 550 HD1 PHE 90 HD1 PHE 90 10.626 11.814 -18.022 551 HD2 PHE 90 HD2 PHE 90 6.544 11.210 -16.757 552 HE1 PHE 90 HE1 PHE 90 10.871 13.630 -16.351 553 HE2 PHE 90 HE2 PHE 90 6.796 13.035 -15.096 554 HZ PHE 90 HZ PHE 90 8.974 14.231 -14.877 555 H SER 91 H SER 91 5.829 9.408 -19.040 556 HA SER 91 HA SER 91 4.001 11.705 -19.601 557 HB2 SER 91 HB2 SER 91 3.896 10.283 -21.595 558 HB3 SER 91 HB3 SER 91 3.658 8.847 -20.584 559 HG SER 91 HG SER 91 1.881 10.987 -21.085 560 H VAL 92 H VAL 92 2.042 11.679 -18.401 561 HA VAL 92 HA VAL 92 2.078 10.256 -15.863 562 HB VAL 92 HB VAL 92 -0.121 11.169 -15.443 563 HG11 VAL 92 HG11 VAL 92 1.893 12.586 -15.105 564 HG12 VAL 92 HG12 VAL 92 1.661 13.283 -16.724 565 HG13 VAL 92 HG13 VAL 92 0.435 13.524 -15.468 566 HG21 VAL 92 HG21 VAL 92 -1.237 12.663 -17.068 567 HG22 VAL 92 HG22 VAL 92 -0.045 12.205 -18.302 568 HG23 VAL 92 HG23 VAL 92 -1.172 10.995 -17.652 569 H LYS 93 H LYS 93 1.174 9.238 -19.013 570 HA LYS 93 HA LYS 93 -0.515 6.979 -18.087 571 HB2 LYS 93 HB2 LYS 93 0.663 7.748 -20.789 572 HB3 LYS 93 HB3 LYS 93 -0.274 6.279 -20.507 573 HG2 LYS 93 HG2 LYS 93 -2.225 7.587 -19.798 574 HG3 LYS 93 HG3 LYS 93 -1.328 9.096 -20.030 575 HD2 LYS 93 HD2 LYS 93 -0.997 8.489 -22.442 576 HD3 LYS 93 HD3 LYS 93 -1.994 7.055 -22.210 577 HE2 LYS 93 HE2 LYS 93 -2.930 9.929 -21.739 578 HE3 LYS 93 HE3 LYS 93 -3.156 9.046 -23.248 579 HZ1 LYS 93 HZ1 LYS 93 -5.133 8.878 -21.878 580 HZ2 LYS 93 HZ2 LYS 93 -4.478 7.395 -22.026 581 HZ3 LYS 93 HZ3 LYS 93 -4.312 8.231 -20.629 582 H ASP 94 H ASP 94 2.846 7.633 -18.300 583 HA ASP 94 HA ASP 94 3.557 4.778 -17.882 584 HB2 ASP 94 HB2 ASP 94 4.727 6.577 -20.036 585 HB3 ASP 94 HB3 ASP 94 5.482 5.086 -19.474 586 HA PRO 95 HA PRO 95 5.787 7.716 -15.009 587 HB2 PRO 95 HB2 PRO 95 4.945 6.754 -12.599 588 HB3 PRO 95 HB3 PRO 95 3.972 7.872 -13.595 589 HG2 PRO 95 HG2 PRO 95 3.777 4.836 -13.494 590 HG3 PRO 95 HG3 PRO 95 2.451 6.029 -13.297 591 HD2 PRO 95 HD2 PRO 95 2.964 4.838 -15.687 592 HD3 PRO 95 HD3 PRO 95 2.463 6.554 -15.594 593 H SER 96 H SER 96 6.102 4.548 -15.940 594 HA SER 96 HA SER 96 7.570 3.113 -14.178 595 HB2 SER 96 HB2 SER 96 8.247 3.324 -17.128 596 HB3 SER 96 HB3 SER 96 8.528 1.949 -16.045 597 HG SER 96 HG SER 96 6.613 1.665 -17.280 598 HA PRO 97 HA PRO 97 11.776 5.369 -15.297 599 HB2 PRO 97 HB2 PRO 97 10.515 8.131 -15.358 600 HB3 PRO 97 HB3 PRO 97 12.078 7.601 -16.049 601 HG2 PRO 97 HG2 PRO 97 9.961 7.748 -17.682 602 HG3 PRO 97 HG3 PRO 97 10.921 6.232 -17.709 603 HD2 PRO 97 HD2 PRO 97 8.368 6.821 -16.182 604 HD3 PRO 97 HD3 PRO 97 8.731 5.424 -17.237 605 H LEU 98 H LEU 98 9.190 6.700 -13.190 606 HA LEU 98 HA LEU 98 11.032 7.538 -11.062 607 HB2 LEU 98 HB2 LEU 98 8.018 7.025 -11.132 608 HB3 LEU 98 HB3 LEU 98 8.901 7.442 -9.677 609 HG LEU 98 HG LEU 98 9.644 9.584 -10.753 610 HD11 LEU 98 HD11 LEU 98 7.570 8.817 -12.857 611 HD12 LEU 98 HD12 LEU 98 8.242 10.447 -12.636 612 HD13 LEU 98 HD13 LEU 98 9.301 9.138 -13.138 613 HD21 LEU 98 HD21 LEU 98 6.645 9.095 -10.487 614 HD22 LEU 98 HD22 LEU 98 7.772 9.437 -9.153 615 HD23 LEU 98 HD23 LEU 98 7.453 10.672 -10.378 616 H TYR 99 H TYR 99 8.967 4.676 -11.692 617 HA TYR 99 HA TYR 99 9.766 3.320 -9.307 618 HB2 TYR 99 HB2 TYR 99 8.558 2.257 -11.889 619 HB3 TYR 99 HB3 TYR 99 8.750 1.318 -10.415 620 HD1 TYR 99 HD2 TYR 99 7.551 1.990 -8.301 621 HD2 TYR 99 HD1 TYR 99 6.698 3.817 -12.118 622 HE1 TYR 99 HE2 TYR 99 5.380 2.816 -7.422 623 HE2 TYR 99 HE1 TYR 99 4.528 4.651 -11.228 624 HH TYR 99 HH TYR 99 3.446 3.990 -7.876 625 H ASP 100 H ASP 100 11.184 3.352 -12.570 626 HA ASP 100 HA ASP 100 13.203 1.388 -12.111 627 HB2 ASP 100 HB2 ASP 100 12.456 2.452 -14.288 628 HB3 ASP 100 HB3 ASP 100 13.346 3.895 -13.839 629 H MET 101 H MET 101 13.018 4.801 -11.268 630 HA MET 101 HA MET 101 15.710 5.052 -10.180 631 HB2 MET 101 HB2 MET 101 15.029 7.130 -10.652 632 HB3 MET 101 HB3 MET 101 13.333 6.701 -10.633 633 HG2 MET 101 HG2 MET 101 13.411 6.823 -8.111 634 HG3 MET 101 HG3 MET 101 14.998 7.585 -8.290 635 HE1 MET 101 HE1 MET 101 11.781 8.560 -7.145 636 HE2 MET 101 HE2 MET 101 10.948 9.537 -8.368 637 HE3 MET 101 HE3 MET 101 11.159 7.784 -8.620 638 H LEU 102 H LEU 102 12.567 4.080 -8.849 639 HA LEU 102 HA LEU 102 13.528 4.028 -6.086 640 HB2 LEU 102 HB2 LEU 102 10.880 3.424 -7.440 641 HB3 LEU 102 HB3 LEU 102 11.109 3.264 -5.707 642 HG LEU 102 HG LEU 102 11.722 5.895 -7.099 643 HD11 LEU 102 HD11 LEU 102 9.446 5.401 -7.709 644 HD12 LEU 102 HD12 LEU 102 9.063 4.881 -6.065 645 HD13 LEU 102 HD13 LEU 102 9.422 6.598 -6.405 646 HD21 LEU 102 HD21 LEU 102 11.296 6.809 -4.863 647 HD22 LEU 102 HD22 LEU 102 10.911 5.188 -4.245 648 HD23 LEU 102 HD23 LEU 102 12.557 5.580 -4.785 649 H ARG 103 H ARG 103 12.900 1.533 -8.546 650 HA ARG 103 HA ARG 103 12.945 -0.751 -6.869 651 HB2 ARG 103 HB2 ARG 103 13.485 -2.016 -8.869 652 HB3 ARG 103 HB3 ARG 103 12.262 -0.785 -9.180 653 HG2 ARG 103 HG2 ARG 103 13.508 -0.749 -11.074 654 HG3 ARG 103 HG3 ARG 103 14.079 0.643 -10.169 655 HD2 ARG 103 HD2 ARG 103 16.167 -0.519 -9.620 656 HD3 ARG 103 HD3 ARG 103 15.534 -2.020 -10.341 657 HE ARG 103 HE ARG 103 15.452 0.158 -12.245 658 HH11 ARG 103 HH11 ARG 103 17.872 -1.987 -10.848 659 HH12 ARG 103 HH12 ARG 103 18.902 -1.812 -12.243 660 HH21 ARG 103 HH21 ARG 103 16.667 0.284 -13.874 661 HH22 ARG 103 HH22 ARG 103 18.240 -0.518 -13.976 662 H LYS 104 H LYS 104 15.507 1.227 -7.851 663 HA LYS 104 HA LYS 104 17.798 -0.329 -7.023 664 HB2 LYS 104 HB2 LYS 104 17.847 1.623 -8.521 665 HB3 LYS 104 HB3 LYS 104 17.321 2.674 -7.195 666 HG2 LYS 104 HG2 LYS 104 19.408 2.386 -6.028 667 HG3 LYS 104 HG3 LYS 104 19.898 1.058 -7.092 668 HD2 LYS 104 HD2 LYS 104 21.067 3.193 -7.588 669 HD3 LYS 104 HD3 LYS 104 20.176 2.546 -8.971 670 HE2 LYS 104 HE2 LYS 104 18.339 4.139 -8.601 671 HE3 LYS 104 HE3 LYS 104 19.113 4.734 -7.126 672 HZ1 LYS 104 HZ1 LYS 104 20.978 5.528 -8.500 673 HZ2 LYS 104 HZ2 LYS 104 20.269 4.975 -9.865 674 HZ3 LYS 104 HZ3 LYS 104 19.585 6.196 -9.023 675 H ASN 105 H ASN 105 15.428 1.553 -5.201 676 HA ASN 105 HA ASN 105 16.919 0.986 -2.657 677 HB2 ASN 105 HB2 ASN 105 16.349 3.303 -3.042 678 HB3 ASN 105 HB3 ASN 105 14.636 2.889 -3.160 679 HD21 ASN 105 HD22 ASN 105 17.452 2.968 -0.924 680 HD22 ASN 105 HD21 ASN 105 16.459 2.938 0.525 681 H LEU 106 H LEU 106 13.399 1.072 -3.481 682 HA LEU 106 HA LEU 106 12.858 -1.060 -1.547 683 HB2 LEU 106 HB2 LEU 106 11.078 0.576 -3.411 684 HB3 LEU 106 HB3 LEU 106 10.468 -0.593 -2.242 685 HG LEU 106 HG LEU 106 12.024 1.901 -1.529 686 HD11 LEU 106 HD11 LEU 106 9.057 1.264 -1.280 687 HD12 LEU 106 HD12 LEU 106 9.857 2.739 -0.698 688 HD13 LEU 106 HD13 LEU 106 9.790 2.403 -2.436 689 HD21 LEU 106 HD21 LEU 106 11.246 1.409 0.778 690 HD22 LEU 106 HD22 LEU 106 10.584 -0.140 0.222 691 HD23 LEU 106 HD23 LEU 106 12.340 0.171 0.182 692 H VAL 107 H VAL 107 11.477 -2.813 -1.997 693 HA VAL 107 HA VAL 107 11.791 -4.076 -4.676 694 HB VAL 107 HB VAL 107 11.183 -6.186 -3.534 695 HG11 VAL 107 HG11 VAL 107 13.357 -6.544 -2.495 696 HG12 VAL 107 HG12 VAL 107 13.528 -5.573 -3.967 697 HG13 VAL 107 HG13 VAL 107 13.622 -4.793 -2.373 698 HG21 VAL 107 HG21 VAL 107 11.279 -6.409 -1.124 699 HG22 VAL 107 HG22 VAL 107 11.579 -4.676 -0.914 700 HG23 VAL 107 HG23 VAL 107 10.009 -5.246 -1.528 701 H THR 108 H THR 108 10.035 -1.951 -4.404 702 HA THR 108 HA THR 108 7.337 -2.888 -3.790 703 HB THR 108 HB THR 108 8.245 -0.695 -3.091 704 HG1 THR 108 HG1 THR 108 6.279 0.298 -3.336 705 HG21 THR 108 HG21 THR 108 9.299 0.011 -5.268 706 HG22 THR 108 HG22 THR 108 7.668 0.206 -5.944 707 HG23 THR 108 HG23 THR 108 8.196 1.212 -4.581 708 H LEU 109 H LEU 109 5.602 -1.873 -5.207 709 HA LEU 109 HA LEU 109 5.786 -3.062 -7.959 710 HB2 LEU 109 HB2 LEU 109 3.356 -2.665 -6.171 711 HB3 LEU 109 HB3 LEU 109 3.333 -3.353 -7.790 712 HG LEU 109 HG LEU 109 4.704 -4.593 -5.358 713 HD11 LEU 109 HD11 LEU 109 2.934 -6.282 -5.523 714 HD12 LEU 109 HD12 LEU 109 2.240 -4.671 -5.278 715 HD13 LEU 109 HD13 LEU 109 2.204 -5.414 -6.893 716 HD21 LEU 109 HD21 LEU 109 4.959 -6.599 -6.807 717 HD22 LEU 109 HD22 LEU 109 4.380 -5.658 -8.200 718 HD23 LEU 109 HD23 LEU 109 5.912 -5.237 -7.396 719 H ALA 110 H ALA 110 4.284 -2.067 -9.560 720 HA ALA 110 HA ALA 110 4.127 0.902 -9.314 721 HB1 ALA 110 HB1 ALA 110 5.014 -0.687 -11.744 722 HB2 ALA 110 HB2 ALA 110 4.864 1.076 -11.622 723 HB3 ALA 110 HB3 ALA 110 6.104 0.226 -10.664 724 H THR 111 H THR 111 2.689 1.933 -10.867 725 HA THR 111 HA THR 111 0.489 0.364 -12.007 726 HB THR 111 HB THR 111 0.168 0.338 -9.562 727 HG1 THR 111 HG1 THR 111 -2.043 0.790 -9.767 728 HG21 THR 111 HG21 THR 111 0.914 2.637 -8.973 729 HG22 THR 111 HG22 THR 111 -0.509 3.307 -9.802 730 HG23 THR 111 HG23 THR 111 -0.709 2.276 -8.371 731 HD1 49H 200 HD1 49H 200 1.827 14.688 -13.264 732 HD2 49H 200 HD2 49H 200 2.211 13.046 -9.296 733 HD3 49H 200 HD3 49H 200 0.611 11.884 -12.879 734 HD4 49H 200 HD4 49H 200 -1.140 11.607 -8.956 735 HD5 49H 200 HD5 49H 200 -2.783 14.025 -14.291 736 HE1 49H 200 HE1 49H 200 4.076 13.847 -13.824 737 HE2 49H 200 HE2 49H 200 4.447 12.180 -9.886 738 HE4 49H 200 HE4 49H 200 -0.652 9.186 -8.909 739 HE5 49H 200 HE5 49H 200 -3.355 14.773 -16.528 740 HE6 49H 200 HE6 49H 200 -0.224 17.678 -16.409 741 HZ2 49H 200 HZ2 49H 200 0.496 8.110 -10.833 742 HM11 49H 200 HM11 49H 200 -3.361 15.356 -18.762 743 HM12 49H 200 HM12 49H 200 -4.214 16.716 -17.967 744 HM13 49H 200 HM13 49H 200 -3.370 16.970 -19.519 745 HM21 49H 200 HM21 49H 200 1.853 16.271 -16.395 746 HM22 49H 200 HM22 49H 200 3.329 17.206 -16.169 747 HM23 49H 200 HM23 49H 200 2.970 15.848 -15.091 748 HM31 49H 200 HM31 49H 200 3.544 18.764 -14.030 749 HM32 49H 200 HM32 49H 200 2.216 18.759 -12.871 750 HM33 49H 200 HM33 49H 200 3.211 17.311 -13.068 751 HN1 49H 200 HN1 49H 200 -3.502 20.588 -11.303 752 H21 49H 200 H21 49H 200 -3.307 18.200 -10.098 753 H22 49H 200 H22 49H 200 -4.182 18.343 -11.635 754 H31 49H 200 H31 49H 200 -2.491 16.511 -11.545 755 H32 49H 200 H32 49H 200 -2.258 17.642 -12.898 756 H41 49H 200 H41 49H 200 0.365 19.515 -11.768 757 H42 49H 200 H42 49H 200 -0.076 19.250 -10.070 758 H7 49H 200 H7 49H 200 -1.406 13.598 -10.175 759 H8 49H 200 H8 49H 200 0.492 14.750 -9.791 760 H9 49H 200 H9 49H 200 1.408 18.509 -15.247 Start of MODEL 16 1 H1 GLN 23 H GLN 23 14.874 3.331 11.290 2 HA GLN 23 HA GLN 23 15.168 5.411 9.256 3 HB2 GLN 23 HB2 GLN 23 17.354 4.239 9.230 4 HB3 GLN 23 HB3 GLN 23 16.533 2.709 8.889 5 HG2 GLN 23 HG2 GLN 23 15.726 3.611 6.733 6 HG3 GLN 23 HG3 GLN 23 16.455 5.179 7.094 7 HE21 GLN 23 HE22 GLN 23 17.231 4.239 4.741 8 HE22 GLN 23 HE21 GLN 23 18.832 3.516 4.826 9 H ILE 24 H ILE 24 13.678 5.234 7.577 10 HA ILE 24 HA ILE 24 11.525 3.221 7.897 11 HB ILE 24 HB ILE 24 10.331 4.724 6.296 12 HG12 ILE 24 HG12 ILE 24 12.637 6.660 6.853 13 HG13 ILE 24 HG13 ILE 24 12.231 5.935 5.301 14 HG21 ILE 24 HG21 ILE 24 9.935 4.673 8.716 15 HG22 ILE 24 HG22 ILE 24 11.114 5.992 8.937 16 HG23 ILE 24 HG23 ILE 24 9.612 6.256 8.009 17 HD11 ILE 24 HD11 ILE 24 11.436 8.188 5.265 18 HD12 ILE 24 HD12 ILE 24 9.987 7.180 5.461 19 HD13 ILE 24 HD13 ILE 24 10.675 8.034 6.855 20 H ASN 25 H ASN 25 10.410 2.493 5.986 21 HA ASN 25 HA ASN 25 12.270 1.047 4.358 22 HB2 ASN 25 HB2 ASN 25 9.234 0.986 4.318 23 HB3 ASN 25 HB3 ASN 25 10.332 -0.285 3.760 24 HD21 ASN 25 HD22 ASN 25 12.029 -0.883 5.740 25 HD22 ASN 25 HD21 ASN 25 11.208 -1.109 7.276 26 H GLN 26 H GLN 26 12.494 3.636 3.664 27 HA GLN 26 HA GLN 26 11.276 4.050 0.956 28 HB2 GLN 26 HB2 GLN 26 11.662 6.333 2.891 29 HB3 GLN 26 HB3 GLN 26 10.625 6.199 1.473 30 HG2 GLN 26 HG2 GLN 26 10.205 4.938 4.180 31 HG3 GLN 26 HG3 GLN 26 9.271 6.251 3.500 32 HE21 GLN 26 HE22 GLN 26 8.191 3.706 4.483 33 HE22 GLN 26 HE21 GLN 26 7.555 2.848 3.090 34 H VAL 27 H VAL 27 12.277 6.286 0.172 35 HA VAL 27 HA VAL 27 15.125 5.686 -0.309 36 HB VAL 27 HB VAL 27 14.596 7.754 -1.998 37 HG11 VAL 27 HG11 VAL 27 15.477 5.496 -2.578 38 HG12 VAL 27 HG12 VAL 27 13.783 4.921 -2.635 39 HG13 VAL 27 HG13 VAL 27 14.347 6.168 -3.759 40 HG21 VAL 27 HG21 VAL 27 11.932 6.275 -1.946 41 HG22 VAL 27 HG22 VAL 27 12.178 7.934 -1.357 42 HG23 VAL 27 HG23 VAL 27 12.457 7.549 -3.056 43 H ARG 28 H ARG 28 16.538 7.616 -0.738 44 HA ARG 28 HA ARG 28 16.174 10.116 0.517 45 HB2 ARG 28 HB2 ARG 28 16.821 8.931 2.582 46 HB3 ARG 28 HB3 ARG 28 18.242 8.245 1.788 47 HG2 ARG 28 HG2 ARG 28 19.249 10.487 1.564 48 HG3 ARG 28 HG3 ARG 28 17.767 11.238 2.157 49 HD2 ARG 28 HD2 ARG 28 19.358 11.299 3.891 50 HD3 ARG 28 HD3 ARG 28 18.115 10.116 4.350 51 HE ARG 28 HE ARG 28 20.290 8.782 3.018 52 HH11 ARG 28 HH11 ARG 28 19.635 10.290 6.114 53 HH12 ARG 28 HH12 ARG 28 20.824 9.321 6.941 54 HH21 ARG 28 HH21 ARG 28 21.782 7.570 4.138 55 HH22 ARG 28 HH22 ARG 28 22.006 7.823 5.843 56 HA PRO 29 HA PRO 29 19.360 10.378 -2.746 57 HB2 PRO 29 HB2 PRO 29 19.238 13.156 -3.085 58 HB3 PRO 29 HB3 PRO 29 18.084 11.978 -3.758 59 HG2 PRO 29 HG2 PRO 29 17.519 13.962 -1.724 60 HG3 PRO 29 HG3 PRO 29 16.477 12.696 -2.377 61 HD2 PRO 29 HD2 PRO 29 18.186 12.644 0.090 62 HD3 PRO 29 HD3 PRO 29 16.585 11.924 -0.191 63 H LYS 30 H LYS 30 21.328 11.501 -3.401 64 HA LYS 30 HA LYS 30 23.085 12.393 -1.168 65 HB2 LYS 30 HB2 LYS 30 24.915 12.230 -2.712 66 HB3 LYS 30 HB3 LYS 30 24.002 10.725 -2.700 67 HG2 LYS 30 HG2 LYS 30 22.905 11.318 -4.819 68 HG3 LYS 30 HG3 LYS 30 23.729 12.876 -4.855 69 HD2 LYS 30 HD2 LYS 30 25.096 10.152 -4.949 70 HD3 LYS 30 HD3 LYS 30 24.755 11.177 -6.349 71 HE2 LYS 30 HE2 LYS 30 26.206 12.973 -5.396 72 HE3 LYS 30 HE3 LYS 30 26.569 11.941 -4.009 73 HZ1 LYS 30 HZ1 LYS 30 28.309 11.780 -5.696 74 HZ2 LYS 30 HZ2 LYS 30 27.579 10.331 -5.544 75 HZ3 LYS 30 HZ3 LYS 30 27.251 11.282 -6.832 76 H LEU 31 H LEU 31 24.425 14.371 -1.572 77 HA LEU 31 HA LEU 31 22.935 16.592 -1.357 78 HB2 LEU 31 HB2 LEU 31 25.205 16.458 -0.670 79 HB3 LEU 31 HB3 LEU 31 25.788 16.231 -2.310 80 HG LEU 31 HG LEU 31 25.143 18.541 -2.883 81 HD11 LEU 31 HD11 LEU 31 24.442 18.785 0.079 82 HD12 LEU 31 HD12 LEU 31 24.584 20.143 -1.058 83 HD13 LEU 31 HD13 LEU 31 23.306 18.945 -1.279 84 HD21 LEU 31 HD21 LEU 31 27.414 18.035 -2.080 85 HD22 LEU 31 HD22 LEU 31 26.906 19.655 -1.578 86 HD23 LEU 31 HD23 LEU 31 26.895 18.320 -0.403 87 HA PRO 32 HA PRO 32 23.179 18.245 -5.828 88 HB2 PRO 32 HB2 PRO 32 23.836 16.609 -7.944 89 HB3 PRO 32 HB3 PRO 32 25.021 17.548 -6.991 90 HG2 PRO 32 HG2 PRO 32 24.247 14.638 -6.616 91 HG3 PRO 32 HG3 PRO 32 25.895 15.335 -6.768 92 HD2 PRO 32 HD2 PRO 32 24.875 14.836 -4.335 93 HD3 PRO 32 HD3 PRO 32 25.760 16.357 -4.630 94 H LEU 33 H LEU 33 21.993 14.929 -5.327 95 HA LEU 33 HA LEU 33 19.753 15.296 -7.201 96 HB2 LEU 33 HB2 LEU 33 20.326 13.061 -5.227 97 HB3 LEU 33 HB3 LEU 33 19.054 13.075 -6.445 98 HG LEU 33 HG LEU 33 22.058 12.965 -6.915 99 HD11 LEU 33 HD11 LEU 33 20.917 10.850 -6.288 100 HD12 LEU 33 HD12 LEU 33 19.799 11.058 -7.653 101 HD13 LEU 33 HD13 LEU 33 21.534 10.809 -7.947 102 HD21 LEU 33 HD21 LEU 33 21.209 14.374 -8.695 103 HD22 LEU 33 HD22 LEU 33 21.493 12.763 -9.351 104 HD23 LEU 33 HD23 LEU 33 19.835 13.280 -8.970 105 H LEU 34 H LEU 34 20.251 15.451 -3.707 106 HA LEU 34 HA LEU 34 17.505 16.069 -2.979 107 HB2 LEU 34 HB2 LEU 34 19.328 15.254 -1.474 108 HB3 LEU 34 HB3 LEU 34 20.244 16.708 -1.725 109 HG LEU 34 HG LEU 34 17.471 16.986 -0.535 110 HD11 LEU 34 HD11 LEU 34 18.402 16.592 1.715 111 HD12 LEU 34 HD12 LEU 34 18.484 15.124 0.733 112 HD13 LEU 34 HD13 LEU 34 19.951 16.092 0.998 113 HD21 LEU 34 HD21 LEU 34 18.653 18.771 0.758 114 HD22 LEU 34 HD22 LEU 34 20.160 18.375 -0.079 115 HD23 LEU 34 HD23 LEU 34 18.779 19.036 -0.981 116 H LYS 35 H LYS 35 20.184 18.052 -4.220 117 HA LYS 35 HA LYS 35 19.097 20.632 -3.883 118 HB2 LYS 35 HB2 LYS 35 21.389 19.588 -4.946 119 HB3 LYS 35 HB3 LYS 35 20.551 19.961 -6.439 120 HG2 LYS 35 HG2 LYS 35 21.958 21.778 -5.914 121 HG3 LYS 35 HG3 LYS 35 20.308 22.346 -5.620 122 HD2 LYS 35 HD2 LYS 35 20.590 22.228 -3.236 123 HD3 LYS 35 HD3 LYS 35 22.032 21.197 -3.376 124 HE2 LYS 35 HE2 LYS 35 23.294 23.016 -4.411 125 HE3 LYS 35 HE3 LYS 35 21.872 24.070 -4.390 126 HZ1 LYS 35 HZ1 LYS 35 23.239 23.013 -1.961 127 HZ2 LYS 35 HZ2 LYS 35 23.344 24.543 -2.513 128 HZ3 LYS 35 HZ3 LYS 35 21.922 23.986 -1.946 129 H ILE 36 H ILE 36 18.534 18.321 -6.503 130 HA ILE 36 HA ILE 36 16.952 19.945 -8.231 131 HB ILE 36 HB ILE 36 16.903 16.930 -7.798 132 HG12 ILE 36 HG12 ILE 36 18.367 18.481 -9.973 133 HG13 ILE 36 HG13 ILE 36 19.138 18.055 -8.462 134 HG21 ILE 36 HG21 ILE 36 15.965 16.733 -10.058 135 HG22 ILE 36 HG22 ILE 36 14.881 17.677 -9.050 136 HG23 ILE 36 HG23 ILE 36 15.936 18.495 -10.225 137 HD11 ILE 36 HD11 ILE 36 18.119 16.115 -10.547 138 HD12 ILE 36 HD12 ILE 36 19.779 16.354 -9.944 139 HD13 ILE 36 HD13 ILE 36 18.556 15.636 -8.890 140 H LEU 37 H LEU 37 15.900 17.602 -5.700 141 HA LEU 37 HA LEU 37 13.144 18.484 -5.943 142 HB2 LEU 37 HB2 LEU 37 14.568 16.426 -4.240 143 HB3 LEU 37 HB3 LEU 37 12.967 16.885 -3.836 144 HG LEU 37 HG LEU 37 13.604 16.274 -6.748 145 HD11 LEU 37 HD11 LEU 37 14.451 14.344 -5.452 146 HD12 LEU 37 HD12 LEU 37 12.814 14.132 -4.776 147 HD13 LEU 37 HD13 LEU 37 13.090 13.957 -6.517 148 HD21 LEU 37 HD21 LEU 37 11.099 15.810 -5.093 149 HD22 LEU 37 HD22 LEU 37 11.353 17.208 -6.161 150 HD23 LEU 37 HD23 LEU 37 11.264 15.578 -6.845 151 H HIS 38 H HIS 38 15.775 19.577 -3.850 152 HA HIS 38 HA HIS 38 14.174 21.319 -2.199 153 HB2 HIS 38 HB2 HIS 38 17.060 21.116 -2.978 154 HB3 HIS 38 HB3 HIS 38 16.502 22.701 -2.495 155 HD2 HIS 38 HD2 HIS 38 15.531 19.277 -0.882 156 HE1 HIS 38 HE1 HIS 38 17.223 21.769 2.147 157 HE2 HIS 38 HE2 HIS 38 16.127 19.527 1.693 158 H ALA 39 H ALA 39 15.471 21.799 -5.543 159 HA ALA 39 HA ALA 39 14.631 24.474 -5.827 160 HB1 ALA 39 HB1 ALA 39 14.503 22.377 -8.029 161 HB2 ALA 39 HB2 ALA 39 14.737 24.111 -8.207 162 HB3 ALA 39 HB3 ALA 39 16.022 23.131 -7.468 163 H ALA 40 H ALA 40 12.644 21.616 -5.632 164 HA ALA 40 HA ALA 40 10.195 23.164 -6.287 165 HB1 ALA 40 HB1 ALA 40 10.533 21.209 -7.656 166 HB2 ALA 40 HB2 ALA 40 10.661 20.161 -6.217 167 HB3 ALA 40 HB3 ALA 40 9.127 20.969 -6.614 168 H GLY 41 H GLY 41 11.795 23.221 -3.688 169 HA2 GLY 41 HA2 GLY 41 11.193 23.733 -1.548 170 HA3 GLY 41 HA3 GLY 41 9.501 23.492 -1.987 171 H ALA 42 H ALA 42 11.532 20.698 -2.497 172 HA ALA 42 HA ALA 42 10.059 19.230 -0.485 173 HB1 ALA 42 HB1 ALA 42 10.936 17.325 -1.642 174 HB2 ALA 42 HB2 ALA 42 10.677 18.547 -2.900 175 HB3 ALA 42 HB3 ALA 42 12.311 18.261 -2.260 176 H GLN 43 H GLN 43 11.633 17.333 0.325 177 HA GLN 43 HA GLN 43 14.123 18.359 1.627 178 HB2 GLN 43 HB2 GLN 43 12.080 16.516 2.924 179 HB3 GLN 43 HB3 GLN 43 13.664 16.938 3.587 180 HG2 GLN 43 HG2 GLN 43 12.990 19.342 3.635 181 HG3 GLN 43 HG3 GLN 43 11.379 18.889 3.066 182 HE21 GLN 43 HE22 GLN 43 10.051 17.436 4.514 183 HE22 GLN 43 HE21 GLN 43 10.372 17.503 6.240 184 H GLY 44 H GLY 44 14.188 17.325 -0.854 185 HA2 GLY 44 HA2 GLY 44 15.523 15.893 -2.066 186 HA3 GLY 44 HA3 GLY 44 15.916 15.016 -0.583 187 H GLU 45 H GLU 45 15.137 13.045 -0.461 188 HA GLU 45 HA GLU 45 12.580 12.179 -1.684 189 HB2 GLU 45 HB2 GLU 45 15.228 10.778 -2.223 190 HB3 GLU 45 HB3 GLU 45 13.641 10.099 -2.557 191 HG2 GLU 45 HG2 GLU 45 13.125 11.914 -4.112 192 HG3 GLU 45 HG3 GLU 45 14.749 12.580 -3.876 193 H MET 46 H MET 46 13.889 12.666 1.056 194 HA MET 46 HA MET 46 14.273 10.052 2.247 195 HB2 MET 46 HB2 MET 46 15.638 11.919 2.694 196 HB3 MET 46 HB3 MET 46 14.276 12.753 3.494 197 HG2 MET 46 HG2 MET 46 14.242 10.922 5.207 198 HG3 MET 46 HG3 MET 46 15.543 10.109 4.344 199 HE1 MET 46 HE1 MET 46 15.942 14.008 6.835 200 HE2 MET 46 HE2 MET 46 15.057 14.006 5.297 201 HE3 MET 46 HE3 MET 46 14.461 13.040 6.669 202 H PHE 47 H PHE 47 12.014 9.681 1.301 203 HA PHE 47 HA PHE 47 9.985 9.330 3.348 204 HB2 PHE 47 HB2 PHE 47 8.344 10.944 2.150 205 HB3 PHE 47 HB3 PHE 47 9.464 11.542 3.338 206 HD1 PHE 47 HD2 PHE 47 9.301 11.012 -0.399 207 HD2 PHE 47 HD1 PHE 47 10.714 13.438 2.865 208 HE1 PHE 47 HE2 PHE 47 10.129 12.741 -2.012 209 HE2 PHE 47 HE1 PHE 47 11.556 15.129 1.228 210 HZ PHE 47 HZ PHE 47 11.163 14.812 -1.184 211 H THR 48 H THR 48 7.802 8.748 2.329 212 HA THR 48 HA THR 48 8.188 6.449 0.713 213 HB THR 48 HB THR 48 5.511 7.784 1.131 214 HG1 THR 48 HG1 THR 48 5.500 7.027 3.271 215 HG21 THR 48 HG21 THR 48 6.278 4.856 1.468 216 HG22 THR 48 HG22 THR 48 4.676 5.552 1.702 217 HG23 THR 48 HG23 THR 48 5.383 5.543 0.094 218 H VAL 49 H VAL 49 6.806 5.926 -1.169 219 HA VAL 49 HA VAL 49 7.727 7.471 -3.370 220 HB VAL 49 HB VAL 49 5.696 5.209 -3.257 221 HG11 VAL 49 HG11 VAL 49 7.016 6.520 -5.668 222 HG12 VAL 49 HG12 VAL 49 6.227 4.924 -5.701 223 HG13 VAL 49 HG13 VAL 49 5.278 6.365 -5.346 224 HG21 VAL 49 HG21 VAL 49 7.710 3.942 -4.138 225 HG22 VAL 49 HG22 VAL 49 8.676 5.401 -3.860 226 HG23 VAL 49 HG23 VAL 49 7.917 4.557 -2.500 227 H LYS 50 H LYS 50 4.514 7.325 -1.877 228 HA LYS 50 HA LYS 50 3.221 9.089 -3.709 229 HB2 LYS 50 HB2 LYS 50 1.520 9.398 -1.969 230 HB3 LYS 50 HB3 LYS 50 1.965 7.700 -2.131 231 HG2 LYS 50 HG2 LYS 50 3.415 7.886 -0.110 232 HG3 LYS 50 HG3 LYS 50 2.962 9.594 0.051 233 HD2 LYS 50 HD2 LYS 50 0.612 8.973 0.387 234 HD3 LYS 50 HD3 LYS 50 1.009 7.254 0.156 235 HE2 LYS 50 HE2 LYS 50 2.499 7.301 2.120 236 HE3 LYS 50 HE3 LYS 50 2.217 9.031 2.330 237 HZ1 LYS 50 HZ1 LYS 50 0.807 7.715 3.820 238 HZ2 LYS 50 HZ2 LYS 50 -0.139 8.524 2.769 239 HZ3 LYS 50 HZ3 LYS 50 0.121 6.923 2.570 240 H GLU 51 H GLU 51 5.453 9.837 -1.122 241 HA GLU 51 HA GLU 51 4.921 12.729 -1.310 242 HB2 GLU 51 HB2 GLU 51 7.049 11.207 0.234 243 HB3 GLU 51 HB3 GLU 51 6.729 12.946 0.314 244 HG2 GLU 51 HG2 GLU 51 4.341 12.360 1.007 245 HG3 GLU 51 HG3 GLU 51 4.855 10.682 1.123 246 H VAL 52 H VAL 52 7.568 10.457 -2.404 247 HA VAL 52 HA VAL 52 9.119 12.484 -3.705 248 HB VAL 52 HB VAL 52 10.147 11.053 -4.994 249 HG11 VAL 52 HG11 VAL 52 9.461 9.299 -2.610 250 HG12 VAL 52 HG12 VAL 52 10.933 9.221 -3.592 251 HG13 VAL 52 HG13 VAL 52 10.627 10.640 -2.607 252 HG21 VAL 52 HG21 VAL 52 8.621 9.822 -6.304 253 HG22 VAL 52 HG22 VAL 52 9.783 8.746 -5.566 254 HG23 VAL 52 HG23 VAL 52 8.155 8.831 -4.906 255 H MET 53 H MET 53 6.638 10.584 -5.110 256 HA MET 53 HA MET 53 6.612 11.958 -7.610 257 HB2 MET 53 HB2 MET 53 4.803 10.692 -8.262 258 HB3 MET 53 HB3 MET 53 5.700 9.662 -7.153 259 HG2 MET 53 HG2 MET 53 4.072 10.345 -5.343 260 HG3 MET 53 HG3 MET 53 3.130 11.191 -6.571 261 HE1 MET 53 HE1 MET 53 3.400 9.159 -9.123 262 HE2 MET 53 HE2 MET 53 1.878 8.284 -8.877 263 HE3 MET 53 HE3 MET 53 1.947 10.043 -8.614 264 H HIS 54 H HIS 54 5.078 12.905 -4.626 265 HA HIS 54 HA HIS 54 3.290 14.935 -5.720 266 HB2 HIS 54 HB2 HIS 54 2.624 14.356 -3.597 267 HB3 HIS 54 HB3 HIS 54 4.239 14.018 -3.048 268 HD2 HIS 54 HD2 HIS 54 5.325 15.643 -1.448 269 HE1 HIS 54 HE1 HIS 54 3.195 19.194 -2.423 270 HE2 HIS 54 HE2 HIS 54 4.970 18.189 -0.903 271 H TYR 55 H TYR 55 6.415 15.309 -3.920 272 HA TYR 55 HA TYR 55 6.995 17.903 -4.675 273 HB2 TYR 55 HB2 TYR 55 8.897 15.593 -4.215 274 HB3 TYR 55 HB3 TYR 55 9.357 17.290 -4.261 275 HD1 TYR 55 HD2 TYR 55 7.929 18.878 -2.624 276 HD2 TYR 55 HD1 TYR 55 8.584 14.666 -2.097 277 HE1 TYR 55 HE2 TYR 55 7.438 19.122 -0.198 278 HE2 TYR 55 HE1 TYR 55 8.124 14.902 0.345 279 HH TYR 55 HH TYR 55 7.277 18.057 1.835 280 H LEU 56 H LEU 56 7.728 14.947 -6.586 281 HA LEU 56 HA LEU 56 9.057 16.328 -8.729 282 HB2 LEU 56 HB2 LEU 56 9.373 13.972 -8.280 283 HB3 LEU 56 HB3 LEU 56 7.658 13.647 -8.536 284 HG LEU 56 HG LEU 56 7.830 14.106 -10.904 285 HD11 LEU 56 HD11 LEU 56 9.552 15.865 -10.976 286 HD12 LEU 56 HD12 LEU 56 10.774 14.715 -10.385 287 HD13 LEU 56 HD13 LEU 56 10.012 14.494 -11.980 288 HD21 LEU 56 HD21 LEU 56 9.245 12.229 -11.532 289 HD22 LEU 56 HD22 LEU 56 10.148 12.339 -10.004 290 HD23 LEU 56 HD23 LEU 56 8.441 11.858 -9.993 291 H GLY 57 H GLY 57 5.583 15.349 -8.341 292 HA2 GLY 57 HA2 GLY 57 4.583 16.276 -10.811 293 HA3 GLY 57 HA3 GLY 57 3.698 16.264 -9.279 294 H GLN 58 H GLN 58 4.968 18.133 -7.719 295 HA GLN 58 HA GLN 58 4.270 20.606 -9.017 296 HB2 GLN 58 HB2 GLN 58 4.668 21.747 -7.014 297 HB3 GLN 58 HB3 GLN 58 3.838 20.229 -6.672 298 HG2 GLN 58 HG2 GLN 58 6.062 19.257 -6.018 299 HG3 GLN 58 HG3 GLN 58 6.784 20.857 -6.204 300 HE21 GLN 58 HE22 GLN 58 7.397 20.683 -3.864 301 HE22 GLN 58 HE21 GLN 58 6.152 20.859 -2.644 302 H TYR 59 H TYR 59 7.494 19.078 -8.553 303 HA TYR 59 HA TYR 59 9.084 21.254 -9.462 304 HB2 TYR 59 HB2 TYR 59 9.978 19.077 -8.631 305 HB3 TYR 59 HB3 TYR 59 9.400 18.284 -10.071 306 HD1 TYR 59 HD2 TYR 59 10.362 18.925 -12.364 307 HD2 TYR 59 HD1 TYR 59 12.173 20.052 -8.605 308 HE1 TYR 59 HE2 TYR 59 12.553 19.260 -13.505 309 HE2 TYR 59 HE1 TYR 59 14.326 20.418 -9.760 310 HH TYR 59 HH TYR 59 15.511 20.231 -11.743 311 H ILE 60 H ILE 60 7.409 18.741 -11.417 312 HA ILE 60 HA ILE 60 8.061 19.841 -14.003 313 HB ILE 60 HB ILE 60 5.690 18.152 -13.120 314 HG12 ILE 60 HG12 ILE 60 8.150 17.053 -14.523 315 HG13 ILE 60 HG13 ILE 60 8.155 17.233 -12.780 316 HG21 ILE 60 HG21 ILE 60 5.246 19.156 -15.320 317 HG22 ILE 60 HG22 ILE 60 6.847 18.664 -15.899 318 HG23 ILE 60 HG23 ILE 60 5.601 17.449 -15.532 319 HD11 ILE 60 HD11 ILE 60 6.054 15.898 -12.614 320 HD12 ILE 60 HD12 ILE 60 6.153 15.577 -14.358 321 HD13 ILE 60 HD13 ILE 60 7.433 14.997 -13.273 322 H MET 61 H MET 61 5.198 20.329 -11.874 323 HA MET 61 HA MET 61 3.733 22.050 -13.558 324 HB2 MET 61 HB2 MET 61 3.127 20.817 -11.384 325 HB3 MET 61 HB3 MET 61 3.820 22.192 -10.525 326 HG2 MET 61 HG2 MET 61 1.487 22.272 -12.477 327 HG3 MET 61 HG3 MET 61 1.364 22.224 -10.727 328 HE1 MET 61 HE1 MET 61 0.498 24.430 -13.349 329 HE2 MET 61 HE2 MET 61 1.573 25.849 -13.335 330 HE3 MET 61 HE3 MET 61 2.193 24.262 -13.853 331 H VAL 62 H VAL 62 6.200 22.931 -11.070 332 HA VAL 62 HA VAL 62 6.116 25.751 -11.568 333 HB VAL 62 HB VAL 62 8.194 23.975 -10.346 334 HG11 VAL 62 HG11 VAL 62 9.217 26.039 -9.374 335 HG12 VAL 62 HG12 VAL 62 9.430 25.942 -11.120 336 HG13 VAL 62 HG13 VAL 62 8.189 27.021 -10.440 337 HG21 VAL 62 HG21 VAL 62 6.023 24.269 -9.118 338 HG22 VAL 62 HG22 VAL 62 7.401 24.934 -8.235 339 HG23 VAL 62 HG23 VAL 62 6.295 26.018 -9.112 340 H LYS 63 H LYS 63 8.381 23.239 -12.817 341 HA LYS 63 HA LYS 63 9.755 25.072 -14.616 342 HB2 LYS 63 HB2 LYS 63 9.674 22.069 -14.240 343 HB3 LYS 63 HB3 LYS 63 10.180 22.672 -15.798 344 HG2 LYS 63 HG2 LYS 63 12.160 22.412 -14.665 345 HG3 LYS 63 HG3 LYS 63 11.871 24.152 -14.671 346 HD2 LYS 63 HD2 LYS 63 10.946 23.878 -12.293 347 HD3 LYS 63 HD3 LYS 63 11.516 22.209 -12.341 348 HE2 LYS 63 HE2 LYS 63 13.173 24.766 -12.560 349 HE3 LYS 63 HE3 LYS 63 13.137 23.645 -11.201 350 HZ1 LYS 63 HZ1 LYS 63 14.259 23.057 -13.906 351 HZ2 LYS 63 HZ2 LYS 63 15.101 23.253 -12.520 352 HZ3 LYS 63 HZ3 LYS 63 14.144 21.945 -12.725 353 H GLN 64 H GLN 64 6.686 23.548 -14.877 354 HA GLN 64 HA GLN 64 5.172 23.298 -16.481 355 HB2 GLN 64 HB2 GLN 64 4.398 25.348 -17.539 356 HB3 GLN 64 HB3 GLN 64 4.752 25.499 -15.833 357 HG2 GLN 64 HG2 GLN 64 7.047 26.518 -16.597 358 HG3 GLN 64 HG3 GLN 64 6.273 26.685 -18.171 359 HE21 GLN 64 HE22 GLN 64 6.172 27.615 -14.717 360 HE22 GLN 64 HE21 GLN 64 5.177 29.047 -14.963 361 H LEU 65 H LEU 65 7.251 21.918 -17.187 362 HA LEU 65 HA LEU 65 7.977 22.521 -19.967 363 HB2 LEU 65 HB2 LEU 65 9.598 22.188 -18.032 364 HB3 LEU 65 HB3 LEU 65 9.215 20.476 -18.091 365 HG LEU 65 HG LEU 65 10.211 20.333 -20.356 366 HD11 LEU 65 HD11 LEU 65 10.605 23.340 -20.127 367 HD12 LEU 65 HD12 LEU 65 11.406 22.301 -21.326 368 HD13 LEU 65 HD13 LEU 65 9.654 22.470 -21.356 369 HD21 LEU 65 HD21 LEU 65 11.988 21.989 -18.510 370 HD22 LEU 65 HD22 LEU 65 11.667 20.259 -18.307 371 HD23 LEU 65 HD23 LEU 65 12.519 20.840 -19.757 372 H TYR 66 H TYR 66 5.392 21.213 -19.084 373 HA TYR 66 HA TYR 66 5.377 18.712 -20.646 374 HB2 TYR 66 HB2 TYR 66 2.943 18.736 -20.047 375 HB3 TYR 66 HB3 TYR 66 4.038 18.652 -18.682 376 HD1 TYR 66 HD2 TYR 66 1.842 20.972 -20.624 377 HD2 TYR 66 HD1 TYR 66 4.069 20.346 -16.985 378 HE1 TYR 66 HE2 TYR 66 0.781 22.995 -19.623 379 HE2 TYR 66 HE1 TYR 66 2.997 22.354 -15.977 380 HH TYR 66 HH TYR 66 1.512 24.105 -16.297 381 H ASP 67 H ASP 67 3.794 18.497 -22.473 382 HA ASP 67 HA ASP 67 4.288 20.694 -24.315 383 HB2 ASP 67 HB2 ASP 67 4.273 18.198 -24.868 384 HB3 ASP 67 HB3 ASP 67 2.516 18.333 -24.917 385 H GLN 68 H GLN 68 3.041 22.308 -24.904 386 HA GLN 68 HA GLN 68 0.632 23.171 -23.765 387 HB2 GLN 68 HB2 GLN 68 1.299 23.801 -26.655 388 HB3 GLN 68 HB3 GLN 68 0.584 24.814 -25.422 389 HG2 GLN 68 HG2 GLN 68 2.602 25.769 -25.348 390 HG3 GLN 68 HG3 GLN 68 3.050 24.446 -24.292 391 HE21 GLN 68 HE22 GLN 68 3.308 22.325 -26.636 392 HE22 GLN 68 HE21 GLN 68 4.753 22.931 -27.400 393 H GLN 69 H GLN 69 1.098 20.967 -26.518 394 HA GLN 69 HA GLN 69 -1.757 20.930 -27.283 395 HB2 GLN 69 HB2 GLN 69 0.758 19.524 -28.260 396 HB3 GLN 69 HB3 GLN 69 -0.842 19.035 -28.783 397 HG2 GLN 69 HG2 GLN 69 0.130 20.488 -30.434 398 HG3 GLN 69 HG3 GLN 69 -1.316 21.210 -29.738 399 HE21 GLN 69 HE22 GLN 69 2.231 21.242 -28.781 400 HE22 GLN 69 HE21 GLN 69 2.313 22.996 -28.852 401 H GLU 70 H GLU 70 0.395 19.085 -25.220 402 HA GLU 70 HA GLU 70 -1.816 17.430 -24.269 403 HB2 GLU 70 HB2 GLU 70 -0.416 15.307 -24.553 404 HB3 GLU 70 HB3 GLU 70 -1.402 15.892 -25.886 405 HG2 GLU 70 HG2 GLU 70 0.593 16.869 -26.994 406 HG3 GLU 70 HG3 GLU 70 1.609 16.304 -25.669 407 H GLN 71 H GLN 71 -1.570 18.333 -22.329 408 HA GLN 71 HA GLN 71 0.803 18.647 -20.836 409 HB2 GLN 71 HB2 GLN 71 -2.039 18.127 -19.867 410 HB3 GLN 71 HB3 GLN 71 -0.710 18.727 -18.886 411 HG2 GLN 71 HG2 GLN 71 -1.899 20.658 -19.361 412 HG3 GLN 71 HG3 GLN 71 -0.551 20.722 -20.484 413 HE21 GLN 71 HE22 GLN 71 -2.267 22.408 -21.341 414 HE22 GLN 71 HE21 GLN 71 -3.355 21.761 -22.560 415 H HIS 72 H HIS 72 -0.799 15.700 -21.656 416 HA HIS 72 HA HIS 72 0.010 14.136 -19.418 417 HB2 HIS 72 HB2 HIS 72 -1.062 12.446 -20.411 418 HB3 HIS 72 HB3 HIS 72 -1.695 13.675 -21.474 419 HD2 HIS 72 HD2 HIS 72 -0.334 10.357 -21.662 420 HE1 HIS 72 HE1 HIS 72 1.348 12.110 -25.165 421 HE2 HIS 72 HE2 HIS 72 0.856 9.911 -23.979 422 H MET 73 H MET 73 1.738 15.274 -22.226 423 HA MET 73 HA MET 73 4.046 13.468 -21.841 424 HB2 MET 73 HB2 MET 73 3.398 13.788 -24.109 425 HB3 MET 73 HB3 MET 73 3.292 15.539 -23.919 426 HG2 MET 73 HG2 MET 73 5.290 14.893 -25.171 427 HG3 MET 73 HG3 MET 73 5.669 15.762 -23.698 428 HE1 MET 73 HE1 MET 73 4.889 11.898 -24.447 429 HE2 MET 73 HE2 MET 73 5.981 12.490 -25.724 430 HE3 MET 73 HE3 MET 73 6.562 11.302 -24.537 431 H VAL 74 H VAL 74 5.858 14.066 -20.794 432 HA VAL 74 HA VAL 74 6.243 16.899 -19.900 433 HB VAL 74 HB VAL 74 6.923 14.334 -18.411 434 HG11 VAL 74 HG11 VAL 74 8.604 16.031 -17.944 435 HG12 VAL 74 HG12 VAL 74 7.354 17.274 -17.725 436 HG13 VAL 74 HG13 VAL 74 7.512 15.929 -16.569 437 HG21 VAL 74 HG21 VAL 74 4.852 16.498 -17.824 438 HG22 VAL 74 HG22 VAL 74 4.507 14.823 -18.305 439 HG23 VAL 74 HG23 VAL 74 5.276 15.143 -16.751 440 H TYR 75 H TYR 75 7.952 17.786 -20.888 441 HA TYR 75 HA TYR 75 10.246 16.136 -21.776 442 HB2 TYR 75 HB2 TYR 75 9.455 19.004 -22.353 443 HB3 TYR 75 HB3 TYR 75 10.976 18.276 -22.847 444 HD1 TYR 75 HD1 TYR 75 10.875 16.009 -24.091 445 HD2 TYR 75 HD2 TYR 75 7.542 18.734 -23.803 446 HE1 TYR 75 HE1 TYR 75 9.776 14.841 -25.956 447 HE2 TYR 75 HE2 TYR 75 6.471 17.609 -25.758 448 HH TYR 75 HH TYR 75 7.967 14.794 -27.407 449 H CYS 76 H CYS 76 12.376 16.844 -21.272 450 HA CYS 76 HA CYS 76 12.959 18.529 -18.900 451 HB2 CYS 76 HB2 CYS 76 13.008 15.537 -19.066 452 HB3 CYS 76 HB3 CYS 76 14.338 16.317 -18.196 453 HG CYS 76 HG CYS 76 11.139 17.059 -17.784 454 H GLY 77 H GLY 77 13.607 18.724 -21.810 455 HA2 GLY 77 HA2 GLY 77 16.053 17.559 -22.455 456 HA3 GLY 77 HA3 GLY 77 15.419 19.020 -23.218 457 H GLY 78 H GLY 78 18.033 17.779 -21.727 458 HA2 GLY 78 HA2 GLY 78 19.982 18.638 -20.930 459 HA3 GLY 78 HA3 GLY 78 19.379 20.266 -21.233 460 H ASP 79 H ASP 79 17.264 18.505 -19.012 461 HA ASP 79 HA ASP 79 18.374 20.204 -16.867 462 HB2 ASP 79 HB2 ASP 79 15.906 20.239 -17.780 463 HB3 ASP 79 HB3 ASP 79 15.694 18.863 -16.699 464 H LEU 80 H LEU 80 18.381 19.479 -14.730 465 HA LEU 80 HA LEU 80 19.869 17.073 -14.327 466 HB2 LEU 80 HB2 LEU 80 18.590 19.079 -12.446 467 HB3 LEU 80 HB3 LEU 80 19.408 17.619 -11.894 468 HG LEU 80 HG LEU 80 21.505 18.290 -12.979 469 HD11 LEU 80 HD11 LEU 80 21.807 20.699 -13.602 470 HD12 LEU 80 HD12 LEU 80 20.799 19.814 -14.741 471 HD13 LEU 80 HD13 LEU 80 20.042 20.905 -13.551 472 HD21 LEU 80 HD21 LEU 80 22.056 20.037 -11.332 473 HD22 LEU 80 HD22 LEU 80 20.326 20.338 -11.053 474 HD23 LEU 80 HD23 LEU 80 21.052 18.777 -10.604 475 H LEU 81 H LEU 81 16.402 17.688 -14.232 476 HA LEU 81 HA LEU 81 15.701 15.241 -12.870 477 HB2 LEU 81 HB2 LEU 81 14.196 17.172 -13.021 478 HB3 LEU 81 HB3 LEU 81 14.124 17.010 -14.781 479 HG LEU 81 HG LEU 81 12.972 14.838 -14.558 480 HD11 LEU 81 HD11 LEU 81 13.082 15.279 -11.536 481 HD12 LEU 81 HD12 LEU 81 12.237 13.963 -12.390 482 HD13 LEU 81 HD13 LEU 81 13.990 14.039 -12.414 483 HD21 LEU 81 HD21 LEU 81 11.601 16.748 -12.644 484 HD22 LEU 81 HD22 LEU 81 11.679 17.053 -14.388 485 HD23 LEU 81 HD23 LEU 81 10.867 15.606 -13.786 486 H GLY 82 H GLY 82 16.033 16.032 -16.358 487 HA2 GLY 82 HA2 GLY 82 15.532 13.321 -17.421 488 HA3 GLY 82 HA3 GLY 82 16.390 14.636 -18.209 489 H GLU 83 H GLU 83 18.570 15.004 -16.179 490 HA GLU 83 HA GLU 83 20.272 12.833 -16.791 491 HB2 GLU 83 HB2 GLU 83 20.926 15.152 -16.277 492 HB3 GLU 83 HB3 GLU 83 20.300 14.971 -14.627 493 HG2 GLU 83 HG2 GLU 83 21.851 13.264 -14.122 494 HG3 GLU 83 HG3 GLU 83 22.425 13.237 -15.806 495 H LEU 84 H LEU 84 18.251 13.511 -13.877 496 HA LEU 84 HA LEU 84 19.221 11.306 -12.379 497 HB2 LEU 84 HB2 LEU 84 18.044 13.418 -11.591 498 HB3 LEU 84 HB3 LEU 84 16.516 12.680 -12.048 499 HG LEU 84 HG LEU 84 18.481 11.635 -9.955 500 HD11 LEU 84 HD11 LEU 84 16.834 12.438 -8.321 501 HD12 LEU 84 HD12 LEU 84 17.349 13.772 -9.358 502 HD13 LEU 84 HD13 LEU 84 15.774 13.007 -9.631 503 HD21 LEU 84 HD21 LEU 84 15.664 10.679 -10.600 504 HD22 LEU 84 HD22 LEU 84 17.170 9.728 -10.702 505 HD23 LEU 84 HD23 LEU 84 16.568 10.248 -9.141 506 H LEU 85 H LEU 85 16.167 11.681 -14.241 507 HA LEU 85 HA LEU 85 15.373 8.876 -13.975 508 HB2 LEU 85 HB2 LEU 85 14.388 11.282 -15.520 509 HB3 LEU 85 HB3 LEU 85 13.857 9.687 -16.011 510 HG LEU 85 HG LEU 85 12.794 9.233 -13.910 511 HD11 LEU 85 HD11 LEU 85 12.604 11.013 -12.144 512 HD12 LEU 85 HD12 LEU 85 14.209 10.280 -12.273 513 HD13 LEU 85 HD13 LEU 85 13.912 11.890 -12.970 514 HD21 LEU 85 HD21 LEU 85 12.175 12.064 -14.856 515 HD22 LEU 85 HD22 LEU 85 11.558 10.569 -15.592 516 HD23 LEU 85 HD23 LEU 85 11.076 11.013 -13.948 517 H GLY 86 H GLY 86 17.533 10.568 -16.134 518 HA2 GLY 86 HA2 GLY 86 19.083 9.688 -17.567 519 HA3 GLY 86 HA3 GLY 86 18.368 8.081 -17.413 520 H ARG 87 H ARG 87 16.094 10.570 -18.244 521 HA ARG 87 HA ARG 87 16.209 9.717 -21.082 522 HB2 ARG 87 HB2 ARG 87 13.965 9.400 -19.076 523 HB3 ARG 87 HB3 ARG 87 13.542 9.674 -20.762 524 HG2 ARG 87 HG2 ARG 87 14.875 7.711 -21.457 525 HG3 ARG 87 HG3 ARG 87 15.295 7.400 -19.761 526 HD2 ARG 87 HD2 ARG 87 13.440 5.971 -20.678 527 HD3 ARG 87 HD3 ARG 87 13.085 6.849 -19.184 528 HE ARG 87 HE ARG 87 12.155 8.535 -21.191 529 HH11 ARG 87 HH11 ARG 87 11.246 5.188 -20.402 530 HH12 ARG 87 HH12 ARG 87 9.567 5.575 -20.807 531 HH21 ARG 87 HH21 ARG 87 10.059 8.770 -21.667 532 HH22 ARG 87 HH22 ARG 87 8.969 7.365 -21.504 533 H GLN 88 H GLN 88 15.639 12.511 -19.360 534 HA GLN 88 HA GLN 88 14.696 14.524 -19.852 535 HB2 GLN 88 HB2 GLN 88 15.947 13.912 -22.528 536 HB3 GLN 88 HB3 GLN 88 15.443 15.516 -21.969 537 HG2 GLN 88 HG2 GLN 88 17.017 15.557 -20.203 538 HG3 GLN 88 HG3 GLN 88 17.322 13.822 -20.298 539 HE21 GLN 88 HE22 GLN 88 18.705 12.941 -21.890 540 HE22 GLN 88 HE21 GLN 88 19.722 13.983 -22.856 541 H SER 89 H SER 89 13.017 12.009 -21.094 542 HA SER 89 HA SER 89 10.680 13.721 -21.185 543 HB2 SER 89 HB2 SER 89 9.766 13.036 -23.314 544 HB3 SER 89 HB3 SER 89 11.301 13.877 -23.528 545 HG SER 89 HG SER 89 11.197 11.986 -24.838 546 H PHE 90 H PHE 90 8.847 12.776 -20.541 547 HA PHE 90 HA PHE 90 8.388 9.899 -20.532 548 HB2 PHE 90 HB2 PHE 90 8.183 9.676 -18.097 549 HB3 PHE 90 HB3 PHE 90 9.820 10.015 -18.589 550 HD1 PHE 90 HD2 PHE 90 10.898 12.190 -18.093 551 HD2 PHE 90 HD1 PHE 90 6.917 11.262 -16.709 552 HE1 PHE 90 HE2 PHE 90 11.059 14.005 -16.406 553 HE2 PHE 90 HE1 PHE 90 7.086 13.079 -15.028 554 HZ PHE 90 HZ PHE 90 9.174 14.422 -14.848 555 H SER 91 H SER 91 6.237 9.530 -19.137 556 HA SER 91 HA SER 91 4.326 11.760 -19.630 557 HB2 SER 91 HB2 SER 91 4.217 10.650 -21.710 558 HB3 SER 91 HB3 SER 91 4.315 9.046 -20.970 559 HG SER 91 HG SER 91 2.171 9.815 -21.707 560 H VAL 92 H VAL 92 2.282 11.488 -18.584 561 HA VAL 92 HA VAL 92 2.360 10.059 -16.046 562 HB VAL 92 HB VAL 92 0.018 10.689 -15.772 563 HG11 VAL 92 HG11 VAL 92 1.661 13.021 -16.846 564 HG12 VAL 92 HG12 VAL 92 0.315 13.095 -15.692 565 HG13 VAL 92 HG13 VAL 92 1.831 12.305 -15.228 566 HG21 VAL 92 HG21 VAL 92 0.216 11.827 -18.589 567 HG22 VAL 92 HG22 VAL 92 -0.825 10.485 -18.065 568 HG23 VAL 92 HG23 VAL 92 -1.116 12.117 -17.450 569 H LYS 93 H LYS 93 1.587 9.080 -19.260 570 HA LYS 93 HA LYS 93 0.429 6.482 -18.348 571 HB2 LYS 93 HB2 LYS 93 0.711 7.679 -21.132 572 HB3 LYS 93 HB3 LYS 93 0.062 6.075 -20.771 573 HG2 LYS 93 HG2 LYS 93 -1.694 7.138 -19.325 574 HG3 LYS 93 HG3 LYS 93 -1.123 8.730 -19.859 575 HD2 LYS 93 HD2 LYS 93 -1.624 8.121 -22.215 576 HD3 LYS 93 HD3 LYS 93 -2.174 6.518 -21.681 577 HE2 LYS 93 HE2 LYS 93 -3.916 7.606 -20.260 578 HE3 LYS 93 HE3 LYS 93 -3.396 9.191 -20.845 579 HZ1 LYS 93 HZ1 LYS 93 -5.306 8.363 -22.104 580 HZ2 LYS 93 HZ2 LYS 93 -4.023 8.481 -23.105 581 HZ3 LYS 93 HZ3 LYS 93 -4.504 7.018 -22.555 582 H ASP 94 H ASP 94 3.464 7.700 -18.664 583 HA ASP 94 HA ASP 94 4.621 4.995 -18.890 584 HB2 ASP 94 HB2 ASP 94 4.786 5.981 -21.160 585 HB3 ASP 94 HB3 ASP 94 5.661 7.359 -20.493 586 HA PRO 95 HA PRO 95 6.341 7.707 -15.469 587 HB2 PRO 95 HB2 PRO 95 5.263 6.635 -13.239 588 HB3 PRO 95 HB3 PRO 95 4.310 7.698 -14.316 589 HG2 PRO 95 HG2 PRO 95 4.375 4.650 -14.332 590 HG3 PRO 95 HG3 PRO 95 2.935 5.718 -14.226 591 HD2 PRO 95 HD2 PRO 95 3.804 4.706 -16.608 592 HD3 PRO 95 HD3 PRO 95 3.122 6.355 -16.469 593 H SER 96 H SER 96 6.728 4.521 -16.478 594 HA SER 96 HA SER 96 8.078 3.089 -14.608 595 HB2 SER 96 HB2 SER 96 8.833 3.306 -17.540 596 HB3 SER 96 HB3 SER 96 9.218 1.962 -16.446 597 HG SER 96 HG SER 96 7.310 1.569 -17.702 598 HA PRO 97 HA PRO 97 12.339 5.195 -15.435 599 HB2 PRO 97 HB2 PRO 97 11.457 8.066 -15.694 600 HB3 PRO 97 HB3 PRO 97 12.876 7.245 -16.433 601 HG2 PRO 97 HG2 PRO 97 10.701 7.711 -17.944 602 HG3 PRO 97 HG3 PRO 97 11.467 6.081 -17.990 603 HD2 PRO 97 HD2 PRO 97 9.073 6.949 -16.371 604 HD3 PRO 97 HD3 PRO 97 9.235 5.545 -17.471 605 H LEU 98 H LEU 98 9.672 6.625 -13.579 606 HA LEU 98 HA LEU 98 11.294 7.454 -11.272 607 HB2 LEU 98 HB2 LEU 98 8.321 6.804 -11.595 608 HB3 LEU 98 HB3 LEU 98 9.064 7.305 -10.096 609 HG LEU 98 HG LEU 98 9.619 9.505 -11.032 610 HD11 LEU 98 HD11 LEU 98 8.039 8.604 -13.483 611 HD12 LEU 98 HD12 LEU 98 8.507 10.275 -13.119 612 HD13 LEU 98 HD13 LEU 98 9.755 9.078 -13.453 613 HD21 LEU 98 HD21 LEU 98 6.714 8.601 -11.308 614 HD22 LEU 98 HD22 LEU 98 7.522 9.105 -9.806 615 HD23 LEU 98 HD23 LEU 98 7.241 10.276 -11.102 616 H TYR 99 H TYR 99 9.282 4.612 -12.146 617 HA TYR 99 HA TYR 99 9.766 3.296 -9.671 618 HB2 TYR 99 HB2 TYR 99 8.773 2.237 -12.353 619 HB3 TYR 99 HB3 TYR 99 8.839 1.263 -10.895 620 HD1 TYR 99 HD2 TYR 99 7.433 1.784 -8.920 621 HD2 TYR 99 HD1 TYR 99 6.981 3.895 -12.650 622 HE1 TYR 99 HE2 TYR 99 5.191 2.606 -8.189 623 HE2 TYR 99 HE1 TYR 99 4.749 4.707 -11.922 624 HH TYR 99 HH TYR 99 3.174 4.736 -10.259 625 H ASP 100 H ASP 100 11.575 3.130 -12.751 626 HA ASP 100 HA ASP 100 13.362 1.051 -11.922 627 HB2 ASP 100 HB2 ASP 100 13.081 2.010 -14.233 628 HB3 ASP 100 HB3 ASP 100 13.948 3.447 -13.712 629 H MET 101 H MET 101 13.300 4.486 -11.267 630 HA MET 101 HA MET 101 15.827 4.678 -9.843 631 HB2 MET 101 HB2 MET 101 15.349 6.795 -10.305 632 HB3 MET 101 HB3 MET 101 13.690 6.405 -10.715 633 HG2 MET 101 HG2 MET 101 13.156 6.542 -8.232 634 HG3 MET 101 HG3 MET 101 14.735 7.298 -8.034 635 HE1 MET 101 HE1 MET 101 11.050 7.713 -8.641 636 HE2 MET 101 HE2 MET 101 11.763 8.578 -7.252 637 HE3 MET 101 HE3 MET 101 10.988 9.494 -8.554 638 H LEU 102 H LEU 102 12.511 3.896 -8.860 639 HA LEU 102 HA LEU 102 13.164 3.856 -6.007 640 HB2 LEU 102 HB2 LEU 102 10.641 3.252 -7.588 641 HB3 LEU 102 HB3 LEU 102 10.725 3.212 -5.831 642 HG LEU 102 HG LEU 102 11.395 5.708 -7.435 643 HD11 LEU 102 HD11 LEU 102 9.109 5.126 -7.905 644 HD12 LEU 102 HD12 LEU 102 8.781 4.847 -6.187 645 HD13 LEU 102 HD13 LEU 102 9.145 6.491 -6.781 646 HD21 LEU 102 HD21 LEU 102 10.863 5.193 -4.486 647 HD22 LEU 102 HD22 LEU 102 12.367 5.771 -5.228 648 HD23 LEU 102 HD23 LEU 102 10.946 6.807 -5.225 649 H ARG 103 H ARG 103 12.542 1.316 -8.456 650 HA ARG 103 HA ARG 103 12.272 -0.890 -6.736 651 HB2 ARG 103 HB2 ARG 103 12.820 -2.277 -8.644 652 HB3 ARG 103 HB3 ARG 103 11.803 -0.921 -9.115 653 HG2 ARG 103 HG2 ARG 103 13.214 -1.056 -10.869 654 HG3 ARG 103 HG3 ARG 103 13.933 0.231 -9.911 655 HD2 ARG 103 HD2 ARG 103 15.718 -1.287 -9.162 656 HD3 ARG 103 HD3 ARG 103 14.914 -2.647 -9.981 657 HE ARG 103 HE ARG 103 15.358 -0.559 -11.886 658 HH11 ARG 103 HH11 ARG 103 17.368 -2.852 -10.123 659 HH12 ARG 103 HH12 ARG 103 18.599 -2.795 -11.355 660 HH21 ARG 103 HH21 ARG 103 16.818 -0.550 -13.312 661 HH22 ARG 103 HH22 ARG 103 18.307 -1.494 -13.180 662 H LYS 104 H LYS 104 15.135 0.738 -7.638 663 HA LYS 104 HA LYS 104 17.166 -1.014 -6.591 664 HB2 LYS 104 HB2 LYS 104 17.518 0.810 -8.192 665 HB3 LYS 104 HB3 LYS 104 17.031 2.006 -6.981 666 HG2 LYS 104 HG2 LYS 104 19.010 1.609 -5.670 667 HG3 LYS 104 HG3 LYS 104 19.419 0.158 -6.600 668 HD2 LYS 104 HD2 LYS 104 20.825 2.125 -7.179 669 HD3 LYS 104 HD3 LYS 104 19.953 1.452 -8.562 670 HE2 LYS 104 HE2 LYS 104 18.271 3.241 -8.444 671 HE3 LYS 104 HE3 LYS 104 19.012 3.882 -6.971 672 HZ1 LYS 104 HZ1 LYS 104 21.026 4.370 -8.275 673 HZ2 LYS 104 HZ2 LYS 104 20.345 3.777 -9.637 674 HZ3 LYS 104 HZ3 LYS 104 19.742 5.124 -8.939 675 H ASN 105 H ASN 105 14.965 1.234 -5.006 676 HA ASN 105 HA ASN 105 16.287 0.763 -2.359 677 HB2 ASN 105 HB2 ASN 105 15.875 3.067 -2.926 678 HB3 ASN 105 HB3 ASN 105 14.173 2.734 -3.252 679 HD21 ASN 105 HD22 ASN 105 16.625 2.888 -0.618 680 HD22 ASN 105 HD21 ASN 105 15.392 3.170 0.614 681 H LEU 106 H LEU 106 12.827 0.952 -3.357 682 HA LEU 106 HA LEU 106 12.265 -1.505 -1.759 683 HB2 LEU 106 HB2 LEU 106 10.420 -0.545 -0.772 684 HB3 LEU 106 HB3 LEU 106 11.626 0.722 -0.679 685 HG LEU 106 HG LEU 106 9.333 0.554 -2.673 686 HD11 LEU 106 HD11 LEU 106 8.638 1.014 -0.343 687 HD12 LEU 106 HD12 LEU 106 9.680 2.451 -0.353 688 HD13 LEU 106 HD13 LEU 106 8.293 2.345 -1.457 689 HD21 LEU 106 HD21 LEU 106 11.308 2.830 -2.233 690 HD22 LEU 106 HD22 LEU 106 11.137 1.847 -3.708 691 HD23 LEU 106 HD23 LEU 106 9.838 2.924 -3.222 692 H VAL 107 H VAL 107 10.452 -2.814 -2.374 693 HA VAL 107 HA VAL 107 10.219 -3.074 -5.215 694 HB VAL 107 HB VAL 107 10.252 -4.954 -3.590 695 HG11 VAL 107 HG11 VAL 107 8.205 -5.706 -2.510 696 HG12 VAL 107 HG12 VAL 107 8.612 -4.086 -1.933 697 HG13 VAL 107 HG13 VAL 107 7.310 -4.305 -3.124 698 HG21 VAL 107 HG21 VAL 107 8.794 -6.428 -4.820 699 HG22 VAL 107 HG22 VAL 107 7.866 -5.064 -5.468 700 HG23 VAL 107 HG23 VAL 107 9.564 -5.296 -5.943 701 H THR 108 H THR 108 8.311 -1.518 -3.008 702 HA THR 108 HA THR 108 6.401 -0.291 -2.955 703 HB THR 108 HB THR 108 8.052 1.039 -4.288 704 HG1 THR 108 HG1 THR 108 6.296 2.543 -4.837 705 HG21 THR 108 HG21 THR 108 7.932 0.093 -6.517 706 HG22 THR 108 HG22 THR 108 6.194 0.456 -6.620 707 HG23 THR 108 HG23 THR 108 7.388 1.768 -6.527 708 H LEU 109 H LEU 109 4.539 0.666 -4.427 709 HA LEU 109 HA LEU 109 3.025 -1.483 -5.830 710 HB2 LEU 109 HB2 LEU 109 1.913 0.568 -3.868 711 HB3 LEU 109 HB3 LEU 109 0.935 -0.486 -4.882 712 HG LEU 109 HG LEU 109 2.828 -1.453 -2.687 713 HD11 LEU 109 HD11 LEU 109 0.887 -0.218 -1.803 714 HD12 LEU 109 HD12 LEU 109 -0.211 -1.251 -2.746 715 HD13 LEU 109 HD13 LEU 109 0.773 -1.947 -1.437 716 HD21 LEU 109 HD21 LEU 109 0.757 -2.957 -4.355 717 HD22 LEU 109 HD22 LEU 109 2.521 -3.175 -4.425 718 HD23 LEU 109 HD23 LEU 109 1.641 -3.617 -2.961 719 H ALA 110 H ALA 110 1.515 -0.591 -7.437 720 HA ALA 110 HA ALA 110 2.222 2.129 -8.418 721 HB1 ALA 110 HB1 ALA 110 3.682 0.492 -9.561 722 HB2 ALA 110 HB2 ALA 110 2.230 -0.401 -10.097 723 HB3 ALA 110 HB3 ALA 110 2.519 1.257 -10.667 724 H THR 111 H THR 111 0.845 2.852 -10.223 725 HA THR 111 HA THR 111 -1.936 1.888 -10.247 726 HB THR 111 HB THR 111 -1.547 3.013 -8.070 727 HG1 THR 111 HG1 THR 111 -3.629 2.954 -8.831 728 HG21 THR 111 HG21 THR 111 -1.371 5.612 -9.659 729 HG22 THR 111 HG22 THR 111 -1.471 5.439 -7.897 730 HG23 THR 111 HG23 THR 111 -0.039 4.855 -8.756 731 HD1 49H 200 HD1 49H 200 1.808 14.828 -13.210 732 HD2 49H 200 HD2 49H 200 2.197 12.840 -9.402 733 HD3 49H 200 HD3 49H 200 0.789 11.936 -12.932 734 HD4 49H 200 HD4 49H 200 -1.383 11.364 -9.260 735 HD5 49H 200 HD5 49H 200 -2.917 14.254 -14.194 736 HE1 49H 200 HE1 49H 200 4.039 14.009 -13.859 737 HE2 49H 200 HE2 49H 200 4.413 11.994 -10.081 738 HE4 49H 200 HE4 49H 200 -0.849 8.951 -9.323 739 HE5 49H 200 HE5 49H 200 -3.716 15.350 -16.209 740 HE6 49H 200 HE6 49H 200 -0.602 18.264 -15.917 741 HZ2 49H 200 HZ2 49H 200 0.547 8.032 -11.162 742 HM11 49H 200 HM11 49H 200 -4.111 16.418 -18.216 743 HM12 49H 200 HM12 49H 200 -4.755 17.592 -17.025 744 HM13 49H 200 HM13 49H 200 -4.169 18.156 -18.613 745 HM21 49H 200 HM21 49H 200 1.497 16.836 -16.365 746 HM22 49H 200 HM22 49H 200 3.043 17.640 -16.099 747 HM23 49H 200 HM23 49H 200 2.656 16.155 -15.214 748 HM31 49H 200 HM31 49H 200 2.217 18.777 -12.563 749 HM32 49H 200 HM32 49H 200 3.182 17.381 -13.057 750 HM33 49H 200 HM33 49H 200 3.423 18.958 -13.836 751 HN1 49H 200 HN1 49H 200 -3.532 20.443 -10.520 752 H21 49H 200 H21 49H 200 -3.107 18.008 -9.490 753 H22 49H 200 H22 49H 200 -4.209 18.198 -10.868 754 H31 49H 200 H31 49H 200 -2.496 16.410 -11.155 755 H32 49H 200 H32 49H 200 -2.464 17.636 -12.443 756 H41 49H 200 H41 49H 200 0.155 19.471 -11.803 757 H42 49H 200 H42 49H 200 0.150 19.242 -10.040 758 H7 49H 200 H7 49H 200 -1.419 13.455 -10.231 759 H8 49H 200 H8 49H 200 0.471 14.578 -9.747 760 H9 49H 200 H9 49H 200 1.197 18.858 -14.876 Start of MODEL 17 1 H1 GLN 23 H GLN 23 14.918 2.580 11.572 2 HA GLN 23 HA GLN 23 14.671 5.314 10.712 3 HB2 GLN 23 HB2 GLN 23 16.530 3.516 9.098 4 HB3 GLN 23 HB3 GLN 23 15.845 5.034 8.505 5 HG2 GLN 23 HG2 GLN 23 16.939 6.275 10.357 6 HG3 GLN 23 HG3 GLN 23 17.666 4.774 10.939 7 HE21 GLN 23 HE22 GLN 23 19.262 3.661 9.486 8 HE22 GLN 23 HE21 GLN 23 20.135 4.646 8.319 9 H ILE 24 H ILE 24 13.365 5.570 8.780 10 HA ILE 24 HA ILE 24 11.252 3.566 8.675 11 HB ILE 24 HB ILE 24 10.187 5.149 7.074 12 HG12 ILE 24 HG12 ILE 24 12.526 6.996 7.775 13 HG13 ILE 24 HG13 ILE 24 12.150 6.338 6.187 14 HG21 ILE 24 HG21 ILE 24 10.929 6.307 9.790 15 HG22 ILE 24 HG22 ILE 24 9.469 6.665 8.836 16 HG23 ILE 24 HG23 ILE 24 9.707 5.047 9.494 17 HD11 ILE 24 HD11 ILE 24 9.893 7.626 6.387 18 HD12 ILE 24 HD12 ILE 24 10.646 8.460 7.756 19 HD13 ILE 24 HD13 ILE 24 11.366 8.583 6.142 20 H ASN 25 H ASN 25 10.180 2.918 6.741 21 HA ASN 25 HA ASN 25 12.066 1.374 5.234 22 HB2 ASN 25 HB2 ASN 25 9.033 1.291 5.197 23 HB3 ASN 25 HB3 ASN 25 10.133 0.004 4.685 24 HD21 ASN 25 HD22 ASN 25 11.790 -0.633 6.610 25 HD22 ASN 25 HD21 ASN 25 11.024 -0.747 8.186 26 H GLN 26 H GLN 26 12.381 3.854 4.326 27 HA GLN 26 HA GLN 26 11.184 4.035 1.583 28 HB2 GLN 26 HB2 GLN 26 11.535 6.613 2.941 29 HB3 GLN 26 HB3 GLN 26 10.223 6.030 1.931 30 HG2 GLN 26 HG2 GLN 26 10.470 5.331 4.878 31 HG3 GLN 26 HG3 GLN 26 9.775 6.824 4.314 32 HE21 GLN 26 HE22 GLN 26 9.190 3.388 3.096 33 HE22 GLN 26 HE21 GLN 26 7.526 3.458 3.593 34 H VAL 27 H VAL 27 12.219 6.242 0.614 35 HA VAL 27 HA VAL 27 15.081 5.475 0.325 36 HB VAL 27 HB VAL 27 15.018 6.470 -1.847 37 HG11 VAL 27 HG11 VAL 27 12.459 4.843 -1.568 38 HG12 VAL 27 HG12 VAL 27 13.538 4.961 -2.969 39 HG13 VAL 27 HG13 VAL 27 14.089 4.145 -1.485 40 HG21 VAL 27 HG21 VAL 27 12.957 7.366 -2.880 41 HG22 VAL 27 HG22 VAL 27 12.135 7.312 -1.307 42 HG23 VAL 27 HG23 VAL 27 13.530 8.381 -1.562 43 H ARG 28 H ARG 28 16.494 7.466 -0.391 44 HA ARG 28 HA ARG 28 16.157 9.927 1.083 45 HB2 ARG 28 HB2 ARG 28 16.698 8.120 2.810 46 HB3 ARG 28 HB3 ARG 28 18.232 7.819 2.012 47 HG2 ARG 28 HG2 ARG 28 17.458 10.483 3.204 48 HG3 ARG 28 HG3 ARG 28 18.105 9.208 4.195 49 HD2 ARG 28 HD2 ARG 28 19.601 10.305 1.812 50 HD3 ARG 28 HD3 ARG 28 19.585 11.114 3.374 51 HE ARG 28 HE ARG 28 20.278 8.577 4.100 52 HH11 ARG 28 HH11 ARG 28 21.724 10.559 1.559 53 HH12 ARG 28 HH12 ARG 28 23.308 9.901 1.873 54 HH21 ARG 28 HH21 ARG 28 22.305 7.758 4.356 55 HH22 ARG 28 HH22 ARG 28 23.616 8.340 3.376 56 HA PRO 29 HA PRO 29 18.988 10.665 -2.281 57 HB2 PRO 29 HB2 PRO 29 19.106 13.339 -2.292 58 HB3 PRO 29 HB3 PRO 29 17.512 12.539 -2.271 59 HG2 PRO 29 HG2 PRO 29 19.077 13.604 0.113 60 HG3 PRO 29 HG3 PRO 29 17.410 13.999 -0.367 61 HD2 PRO 29 HD2 PRO 29 18.074 12.008 1.455 62 HD3 PRO 29 HD3 PRO 29 16.618 11.911 0.438 63 H LYS 30 H LYS 30 20.887 11.919 -3.003 64 HA LYS 30 HA LYS 30 23.108 12.230 -1.015 65 HB2 LYS 30 HB2 LYS 30 23.316 10.545 -2.959 66 HB3 LYS 30 HB3 LYS 30 23.346 11.937 -4.046 67 HG2 LYS 30 HG2 LYS 30 25.382 12.779 -2.798 68 HG3 LYS 30 HG3 LYS 30 25.310 11.329 -1.784 69 HD2 LYS 30 HD2 LYS 30 25.594 9.914 -3.814 70 HD3 LYS 30 HD3 LYS 30 25.670 11.381 -4.817 71 HE2 LYS 30 HE2 LYS 30 27.674 12.139 -3.553 72 HE3 LYS 30 HE3 LYS 30 27.589 10.694 -2.539 73 HZ1 LYS 30 HZ1 LYS 30 28.056 10.679 -5.480 74 HZ2 LYS 30 HZ2 LYS 30 29.193 10.412 -4.342 75 HZ3 LYS 30 HZ3 LYS 30 27.978 9.345 -4.538 76 H LEU 31 H LEU 31 24.407 14.239 -1.342 77 HA LEU 31 HA LEU 31 22.886 16.514 -1.216 78 HB2 LEU 31 HB2 LEU 31 25.789 16.296 -2.091 79 HB3 LEU 31 HB3 LEU 31 25.010 17.800 -1.613 80 HG LEU 31 HG LEU 31 25.401 15.374 0.191 81 HD11 LEU 31 HD11 LEU 31 27.495 16.559 -0.360 82 HD12 LEU 31 HD12 LEU 31 26.768 18.096 0.160 83 HD13 LEU 31 HD13 LEU 31 27.046 16.791 1.336 84 HD21 LEU 31 HD21 LEU 31 24.290 18.150 0.799 85 HD22 LEU 31 HD22 LEU 31 23.411 16.606 0.914 86 HD23 LEU 31 HD23 LEU 31 24.742 16.940 2.020 87 HA PRO 32 HA PRO 32 23.315 17.960 -5.716 88 HB2 PRO 32 HB2 PRO 32 23.916 16.249 -7.759 89 HB3 PRO 32 HB3 PRO 32 25.145 17.115 -6.789 90 HG2 PRO 32 HG2 PRO 32 24.151 14.276 -6.389 91 HG3 PRO 32 HG3 PRO 32 25.849 14.844 -6.511 92 HD2 PRO 32 HD2 PRO 32 24.688 14.457 -4.121 93 HD3 PRO 32 HD3 PRO 32 25.762 15.859 -4.377 94 H LEU 33 H LEU 33 21.932 14.827 -4.968 95 HA LEU 33 HA LEU 33 19.688 15.119 -6.874 96 HB2 LEU 33 HB2 LEU 33 20.116 13.068 -4.679 97 HB3 LEU 33 HB3 LEU 33 18.942 12.999 -5.985 98 HG LEU 33 HG LEU 33 21.971 12.807 -6.272 99 HD11 LEU 33 HD11 LEU 33 20.898 10.793 -5.349 100 HD12 LEU 33 HD12 LEU 33 19.764 10.761 -6.718 101 HD13 LEU 33 HD13 LEU 33 21.504 10.507 -6.986 102 HD21 LEU 33 HD21 LEU 33 21.547 12.266 -8.647 103 HD22 LEU 33 HD22 LEU 33 19.827 12.642 -8.428 104 HD23 LEU 33 HD23 LEU 33 21.057 13.919 -8.270 105 H LEU 34 H LEU 34 20.284 15.547 -3.389 106 HA LEU 34 HA LEU 34 17.636 16.074 -2.535 107 HB2 LEU 34 HB2 LEU 34 19.489 15.745 -1.025 108 HB3 LEU 34 HB3 LEU 34 20.333 17.156 -1.599 109 HG LEU 34 HG LEU 34 17.605 17.587 -0.296 110 HD11 LEU 34 HD11 LEU 34 20.229 17.104 1.180 111 HD12 LEU 34 HD12 LEU 34 18.706 17.677 1.897 112 HD13 LEU 34 HD13 LEU 34 18.800 16.047 1.222 113 HD21 LEU 34 HD21 LEU 34 18.717 19.626 0.526 114 HD22 LEU 34 HD22 LEU 34 20.228 19.152 -0.276 115 HD23 LEU 34 HD23 LEU 34 18.787 19.559 -1.230 116 H LYS 35 H LYS 35 19.969 18.298 -4.105 117 HA LYS 35 HA LYS 35 18.314 20.623 -3.630 118 HB2 LYS 35 HB2 LYS 35 19.764 21.928 -4.785 119 HB3 LYS 35 HB3 LYS 35 20.543 20.857 -3.627 120 HG2 LYS 35 HG2 LYS 35 21.171 19.364 -5.641 121 HG3 LYS 35 HG3 LYS 35 20.627 20.724 -6.671 122 HD2 LYS 35 HD2 LYS 35 22.064 22.220 -5.172 123 HD3 LYS 35 HD3 LYS 35 22.640 20.754 -4.396 124 HE2 LYS 35 HE2 LYS 35 24.360 21.331 -5.935 125 HE3 LYS 35 HE3 LYS 35 23.512 19.975 -6.681 126 HZ1 LYS 35 HZ1 LYS 35 22.319 21.609 -8.087 127 HZ2 LYS 35 HZ2 LYS 35 23.103 22.851 -7.364 128 HZ3 LYS 35 HZ3 LYS 35 23.931 21.783 -8.269 129 H ILE 36 H ILE 36 18.279 18.271 -6.175 130 HA ILE 36 HA ILE 36 16.636 19.756 -8.052 131 HB ILE 36 HB ILE 36 17.033 16.757 -7.693 132 HG12 ILE 36 HG12 ILE 36 18.313 18.729 -9.634 133 HG13 ILE 36 HG13 ILE 36 19.110 18.170 -8.180 134 HG21 ILE 36 HG21 ILE 36 14.950 17.289 -8.981 135 HG22 ILE 36 HG22 ILE 36 15.908 18.306 -10.077 136 HG23 ILE 36 HG23 ILE 36 16.172 16.556 -10.004 137 HD11 ILE 36 HD11 ILE 36 18.327 16.369 -10.481 138 HD12 ILE 36 HD12 ILE 36 19.954 16.925 -10.047 139 HD13 ILE 36 HD13 ILE 36 19.082 15.861 -8.939 140 H LEU 37 H LEU 37 15.856 17.376 -5.430 141 HA LEU 37 HA LEU 37 12.997 17.822 -5.612 142 HB2 LEU 37 HB2 LEU 37 14.883 16.558 -3.610 143 HB3 LEU 37 HB3 LEU 37 13.358 17.098 -3.018 144 HG LEU 37 HG LEU 37 13.397 14.724 -3.622 145 HD11 LEU 37 HD11 LEU 37 11.403 16.318 -5.253 146 HD12 LEU 37 HD12 LEU 37 11.229 14.647 -4.678 147 HD13 LEU 37 HD13 LEU 37 11.298 15.972 -3.507 148 HD21 LEU 37 HD21 LEU 37 14.761 14.752 -5.667 149 HD22 LEU 37 HD22 LEU 37 13.185 13.958 -5.891 150 HD23 LEU 37 HD23 LEU 37 13.447 15.598 -6.524 151 H HIS 38 H HIS 38 15.583 19.522 -3.825 152 HA HIS 38 HA HIS 38 13.810 21.184 -2.331 153 HB2 HIS 38 HB2 HIS 38 16.429 20.641 -2.133 154 HB3 HIS 38 HB3 HIS 38 16.569 22.168 -3.010 155 HD2 HIS 38 HD2 HIS 38 14.521 20.778 -0.003 156 HE1 HIS 38 HE1 HIS 38 15.912 24.656 1.134 157 HE2 HIS 38 HE2 HIS 38 14.587 22.619 1.902 158 H ALA 39 H ALA 39 15.162 21.656 -5.592 159 HA ALA 39 HA ALA 39 14.280 24.292 -6.033 160 HB1 ALA 39 HB1 ALA 39 15.715 22.963 -7.583 161 HB2 ALA 39 HB2 ALA 39 14.302 21.961 -7.998 162 HB3 ALA 39 HB3 ALA 39 14.320 23.676 -8.418 163 H ALA 40 H ALA 40 12.379 21.387 -5.662 164 HA ALA 40 HA ALA 40 9.878 22.769 -6.458 165 HB1 ALA 40 HB1 ALA 40 10.349 20.679 -7.575 166 HB2 ALA 40 HB2 ALA 40 10.475 19.817 -6.022 167 HB3 ALA 40 HB3 ALA 40 8.923 20.502 -6.550 168 H GLY 41 H GLY 41 11.459 23.152 -3.826 169 HA2 GLY 41 HA2 GLY 41 10.783 23.844 -1.753 170 HA3 GLY 41 HA3 GLY 41 9.109 23.535 -2.220 171 H ALA 42 H ALA 42 11.257 20.806 -2.401 172 HA ALA 42 HA ALA 42 9.788 19.381 -0.361 173 HB1 ALA 42 HB1 ALA 42 10.993 17.483 -1.258 174 HB2 ALA 42 HB2 ALA 42 10.629 18.539 -2.631 175 HB3 ALA 42 HB3 ALA 42 12.258 18.563 -1.899 176 H GLN 43 H GLN 43 11.864 17.652 0.528 177 HA GLN 43 HA GLN 43 14.128 19.095 1.700 178 HB2 GLN 43 HB2 GLN 43 13.688 18.224 4.008 179 HB3 GLN 43 HB3 GLN 43 12.615 19.519 3.492 180 HG2 GLN 43 HG2 GLN 43 10.792 17.910 3.068 181 HG3 GLN 43 HG3 GLN 43 11.840 16.567 3.521 182 HE21 GLN 43 HE22 GLN 43 9.613 16.535 4.921 183 HE22 GLN 43 HE21 GLN 43 9.835 17.218 6.526 184 H GLY 44 H GLY 44 14.811 17.803 -0.137 185 HA2 GLY 44 HA2 GLY 44 16.135 16.059 -0.885 186 HA3 GLY 44 HA3 GLY 44 16.041 15.331 0.728 187 H GLU 45 H GLU 45 15.674 13.278 -0.050 188 HA GLU 45 HA GLU 45 13.005 12.636 -1.229 189 HB2 GLU 45 HB2 GLU 45 15.649 11.225 -1.733 190 HB3 GLU 45 HB3 GLU 45 14.075 10.627 -2.244 191 HG2 GLU 45 HG2 GLU 45 13.720 12.538 -3.680 192 HG3 GLU 45 HG3 GLU 45 15.288 13.226 -3.210 193 H MET 46 H MET 46 14.082 12.833 1.654 194 HA MET 46 HA MET 46 14.374 10.070 2.498 195 HB2 MET 46 HB2 MET 46 15.865 11.693 3.187 196 HB3 MET 46 HB3 MET 46 14.586 12.596 4.043 197 HG2 MET 46 HG2 MET 46 14.283 10.691 5.591 198 HG3 MET 46 HG3 MET 46 15.429 9.727 4.657 199 HE1 MET 46 HE1 MET 46 17.315 10.247 8.034 200 HE2 MET 46 HE2 MET 46 15.572 10.000 7.792 201 HE3 MET 46 HE3 MET 46 16.745 9.073 6.828 202 H PHE 47 H PHE 47 12.215 9.733 1.565 203 HA PHE 47 HA PHE 47 10.126 9.311 3.551 204 HB2 PHE 47 HB2 PHE 47 8.499 10.944 2.402 205 HB3 PHE 47 HB3 PHE 47 9.662 11.543 3.550 206 HD1 PHE 47 HD1 PHE 47 9.553 10.854 -0.165 207 HD2 PHE 47 HD2 PHE 47 10.762 13.542 2.983 208 HE1 PHE 47 HE1 PHE 47 10.184 12.570 -1.841 209 HE2 PHE 47 HE2 PHE 47 11.509 15.194 1.268 210 HZ PHE 47 HZ PHE 47 11.101 14.739 -1.132 211 H THR 48 H THR 48 7.920 8.905 2.378 212 HA THR 48 HA THR 48 8.234 6.474 0.980 213 HB THR 48 HB THR 48 5.589 7.878 0.926 214 HG1 THR 48 HG1 THR 48 6.588 6.981 3.397 215 HG21 THR 48 HG21 THR 48 4.833 5.744 2.045 216 HG22 THR 48 HG22 THR 48 5.495 5.524 0.428 217 HG23 THR 48 HG23 THR 48 6.479 5.115 1.849 218 H VAL 49 H VAL 49 7.064 5.787 -0.950 219 HA VAL 49 HA VAL 49 7.788 6.972 -3.381 220 HB VAL 49 HB VAL 49 5.471 5.098 -2.738 221 HG11 VAL 49 HG11 VAL 49 4.922 6.017 -4.884 222 HG12 VAL 49 HG12 VAL 49 6.596 5.892 -5.443 223 HG13 VAL 49 HG13 VAL 49 5.630 4.427 -5.162 224 HG21 VAL 49 HG21 VAL 49 7.607 4.129 -2.144 225 HG22 VAL 49 HG22 VAL 49 7.024 3.369 -3.624 226 HG23 VAL 49 HG23 VAL 49 8.303 4.602 -3.703 227 H LYS 50 H LYS 50 4.634 7.222 -1.720 228 HA LYS 50 HA LYS 50 3.453 8.982 -3.598 229 HB2 LYS 50 HB2 LYS 50 1.744 9.415 -1.871 230 HB3 LYS 50 HB3 LYS 50 2.105 7.695 -2.021 231 HG2 LYS 50 HG2 LYS 50 3.538 7.800 -0.004 232 HG3 LYS 50 HG3 LYS 50 3.224 9.539 0.142 233 HD2 LYS 50 HD2 LYS 50 0.827 9.087 0.502 234 HD3 LYS 50 HD3 LYS 50 1.121 7.340 0.320 235 HE2 LYS 50 HE2 LYS 50 2.693 7.403 2.248 236 HE3 LYS 50 HE3 LYS 50 2.428 9.139 2.420 237 HZ1 LYS 50 HZ1 LYS 50 0.076 8.669 2.914 238 HZ2 LYS 50 HZ2 LYS 50 0.317 7.060 2.753 239 HZ3 LYS 50 HZ3 LYS 50 1.034 7.877 3.969 240 H GLU 51 H GLU 51 5.671 9.754 -1.033 241 HA GLU 51 HA GLU 51 5.118 12.640 -1.192 242 HB2 GLU 51 HB2 GLU 51 7.303 11.080 0.238 243 HB3 GLU 51 HB3 GLU 51 7.054 12.821 0.354 244 HG2 GLU 51 HG2 GLU 51 5.111 10.652 1.255 245 HG3 GLU 51 HG3 GLU 51 6.149 11.611 2.292 246 H VAL 52 H VAL 52 7.855 10.454 -2.288 247 HA VAL 52 HA VAL 52 9.261 12.556 -3.705 248 HB VAL 52 HB VAL 52 10.102 10.925 -5.217 249 HG11 VAL 52 HG11 VAL 52 11.424 9.558 -3.615 250 HG12 VAL 52 HG12 VAL 52 11.325 11.245 -3.135 251 HG13 VAL 52 HG13 VAL 52 10.306 10.012 -2.323 252 HG21 VAL 52 HG21 VAL 52 8.680 8.769 -3.695 253 HG22 VAL 52 HG22 VAL 52 8.299 9.226 -5.381 254 HG23 VAL 52 HG23 VAL 52 9.866 8.547 -4.999 255 H MET 53 H MET 53 6.683 10.449 -4.912 256 HA MET 53 HA MET 53 6.683 11.694 -7.489 257 HB2 MET 53 HB2 MET 53 4.886 10.386 -8.089 258 HB3 MET 53 HB3 MET 53 5.802 9.415 -6.938 259 HG2 MET 53 HG2 MET 53 4.192 10.150 -5.161 260 HG3 MET 53 HG3 MET 53 3.214 10.927 -6.404 261 HE1 MET 53 HE1 MET 53 1.922 7.930 -8.542 262 HE2 MET 53 HE2 MET 53 1.998 9.696 -8.346 263 HE3 MET 53 HE3 MET 53 3.435 8.794 -8.875 264 H HIS 54 H HIS 54 5.061 12.685 -4.548 265 HA HIS 54 HA HIS 54 3.252 14.655 -5.666 266 HB2 HIS 54 HB2 HIS 54 2.702 14.098 -3.482 267 HB3 HIS 54 HB3 HIS 54 4.357 13.901 -2.990 268 HD2 HIS 54 HD2 HIS 54 5.306 15.615 -1.427 269 HE1 HIS 54 HE1 HIS 54 3.072 19.036 -2.607 270 HE2 HIS 54 HE2 HIS 54 4.850 18.168 -1.006 271 H TYR 55 H TYR 55 6.400 15.178 -3.961 272 HA TYR 55 HA TYR 55 6.918 17.737 -4.874 273 HB2 TYR 55 HB2 TYR 55 8.911 15.518 -4.394 274 HB3 TYR 55 HB3 TYR 55 9.286 17.243 -4.466 275 HD1 TYR 55 HD2 TYR 55 7.793 18.759 -2.823 276 HD2 TYR 55 HD1 TYR 55 8.746 14.606 -2.260 277 HE1 TYR 55 HE2 TYR 55 7.308 18.993 -0.387 278 HE2 TYR 55 HE1 TYR 55 8.261 14.831 0.180 279 HH TYR 55 HH TYR 55 7.596 16.232 1.880 280 H LEU 56 H LEU 56 7.649 14.692 -6.654 281 HA LEU 56 HA LEU 56 9.003 15.900 -8.851 282 HB2 LEU 56 HB2 LEU 56 9.088 13.517 -8.326 283 HB3 LEU 56 HB3 LEU 56 7.356 13.364 -8.630 284 HG LEU 56 HG LEU 56 7.658 13.774 -11.005 285 HD11 LEU 56 HD11 LEU 56 9.576 15.294 -11.038 286 HD12 LEU 56 HD12 LEU 56 10.622 14.035 -10.337 287 HD13 LEU 56 HD13 LEU 56 9.950 13.843 -11.974 288 HD21 LEU 56 HD21 LEU 56 9.648 11.720 -9.941 289 HD22 LEU 56 HD22 LEU 56 7.895 11.473 -10.117 290 HD23 LEU 56 HD23 LEU 56 8.897 11.727 -11.553 291 H GLY 57 H GLY 57 5.469 15.164 -8.463 292 HA2 GLY 57 HA2 GLY 57 4.582 16.104 -10.983 293 HA3 GLY 57 HA3 GLY 57 3.647 16.133 -9.483 294 H GLN 58 H GLN 58 4.929 17.968 -7.891 295 HA GLN 58 HA GLN 58 4.323 20.446 -9.230 296 HB2 GLN 58 HB2 GLN 58 4.595 21.587 -7.234 297 HB3 GLN 58 HB3 GLN 58 3.804 20.052 -6.894 298 HG2 GLN 58 HG2 GLN 58 6.090 19.190 -6.164 299 HG3 GLN 58 HG3 GLN 58 6.673 20.852 -6.282 300 HE21 GLN 58 HE22 GLN 58 7.170 20.588 -3.882 301 HE22 GLN 58 HE21 GLN 58 5.840 20.684 -2.749 302 H TYR 59 H TYR 59 7.477 18.833 -8.661 303 HA TYR 59 HA TYR 59 9.145 20.964 -9.554 304 HB2 TYR 59 HB2 TYR 59 9.988 18.745 -8.706 305 HB3 TYR 59 HB3 TYR 59 9.456 17.993 -10.185 306 HD1 TYR 59 HD2 TYR 59 10.511 18.688 -12.428 307 HD2 TYR 59 HD1 TYR 59 12.129 19.847 -8.594 308 HE1 TYR 59 HE2 TYR 59 12.710 19.156 -13.489 309 HE2 TYR 59 HE1 TYR 59 14.311 20.316 -9.673 310 HH TYR 59 HH TYR 59 14.942 19.677 -13.127 311 H ILE 60 H ILE 60 7.556 18.391 -11.530 312 HA ILE 60 HA ILE 60 8.311 19.409 -14.087 313 HB ILE 60 HB ILE 60 5.829 17.857 -13.259 314 HG12 ILE 60 HG12 ILE 60 8.245 16.606 -14.601 315 HG13 ILE 60 HG13 ILE 60 8.264 16.847 -12.864 316 HG21 ILE 60 HG21 ILE 60 5.811 17.092 -15.668 317 HG22 ILE 60 HG22 ILE 60 5.448 18.800 -15.473 318 HG23 ILE 60 HG23 ILE 60 7.065 18.298 -16.016 319 HD11 ILE 60 HD11 ILE 60 6.109 15.611 -12.647 320 HD12 ILE 60 HD12 ILE 60 6.163 15.251 -14.381 321 HD13 ILE 60 HD13 ILE 60 7.430 14.627 -13.304 322 H MET 61 H MET 61 5.402 20.106 -12.092 323 HA MET 61 HA MET 61 4.180 21.866 -13.952 324 HB2 MET 61 HB2 MET 61 3.223 20.686 -11.868 325 HB3 MET 61 HB3 MET 61 3.930 22.005 -10.939 326 HG2 MET 61 HG2 MET 61 1.861 22.858 -11.200 327 HG3 MET 61 HG3 MET 61 2.543 23.513 -12.676 328 HE1 MET 61 HE1 MET 61 1.931 22.626 -15.103 329 HE2 MET 61 HE2 MET 61 2.406 20.931 -14.792 330 HE3 MET 61 HE3 MET 61 0.801 21.300 -15.445 331 H VAL 62 H VAL 62 6.677 22.604 -11.468 332 HA VAL 62 HA VAL 62 6.528 25.501 -11.912 333 HB VAL 62 HB VAL 62 8.393 23.747 -10.361 334 HG11 VAL 62 HG11 VAL 62 9.751 25.657 -11.073 335 HG12 VAL 62 HG12 VAL 62 8.456 26.784 -10.601 336 HG13 VAL 62 HG13 VAL 62 9.327 25.841 -9.373 337 HG21 VAL 62 HG21 VAL 62 7.358 24.830 -8.418 338 HG22 VAL 62 HG22 VAL 62 6.380 25.864 -9.484 339 HG23 VAL 62 HG23 VAL 62 6.097 24.116 -9.429 340 H LYS 63 H LYS 63 8.869 22.914 -12.750 341 HA LYS 63 HA LYS 63 10.538 24.610 -14.401 342 HB2 LYS 63 HB2 LYS 63 10.567 21.890 -13.430 343 HB3 LYS 63 HB3 LYS 63 10.601 21.774 -15.165 344 HG2 LYS 63 HG2 LYS 63 12.853 21.836 -14.492 345 HG3 LYS 63 HG3 LYS 63 12.544 23.475 -15.094 346 HD2 LYS 63 HD2 LYS 63 12.059 24.154 -12.678 347 HD3 LYS 63 HD3 LYS 63 12.567 22.554 -12.168 348 HE2 LYS 63 HE2 LYS 63 14.294 24.574 -13.698 349 HE3 LYS 63 HE3 LYS 63 14.342 24.318 -11.955 350 HZ1 LYS 63 HZ1 LYS 63 15.051 21.985 -12.414 351 HZ2 LYS 63 HZ2 LYS 63 15.143 22.305 -14.023 352 HZ3 LYS 63 HZ3 LYS 63 16.115 23.089 -12.977 353 H GLN 64 H GLN 64 7.523 23.088 -15.014 354 HA GLN 64 HA GLN 64 6.190 22.847 -16.721 355 HB2 GLN 64 HB2 GLN 64 5.586 24.848 -17.934 356 HB3 GLN 64 HB3 GLN 64 5.853 25.113 -16.219 357 HG2 GLN 64 HG2 GLN 64 8.231 25.924 -16.901 358 HG3 GLN 64 HG3 GLN 64 7.592 25.999 -18.541 359 HE21 GLN 64 HE22 GLN 64 7.240 27.163 -15.158 360 HE22 GLN 64 HE21 GLN 64 6.391 28.648 -15.575 361 H LEU 65 H LEU 65 8.305 21.351 -17.144 362 HA LEU 65 HA LEU 65 9.098 21.596 -19.976 363 HB2 LEU 65 HB2 LEU 65 10.069 19.724 -17.775 364 HB3 LEU 65 HB3 LEU 65 10.688 19.762 -19.424 365 HG LEU 65 HG LEU 65 10.918 21.978 -17.386 366 HD11 LEU 65 HD11 LEU 65 13.145 20.388 -18.660 367 HD12 LEU 65 HD12 LEU 65 13.247 21.554 -17.338 368 HD13 LEU 65 HD13 LEU 65 12.429 20.011 -17.065 369 HD21 LEU 65 HD21 LEU 65 11.920 21.890 -20.261 370 HD22 LEU 65 HD22 LEU 65 10.738 23.034 -19.577 371 HD23 LEU 65 HD23 LEU 65 12.416 23.094 -19.047 372 H TYR 66 H TYR 66 6.543 21.202 -20.033 373 HA TYR 66 HA TYR 66 6.116 18.390 -20.908 374 HB2 TYR 66 HB2 TYR 66 3.739 18.658 -20.184 375 HB3 TYR 66 HB3 TYR 66 4.901 18.576 -18.878 376 HD1 TYR 66 HD2 TYR 66 2.858 20.996 -20.906 377 HD2 TYR 66 HD1 TYR 66 4.986 20.273 -17.226 378 HE1 TYR 66 HE2 TYR 66 1.960 23.119 -19.975 379 HE2 TYR 66 HE1 TYR 66 4.045 22.386 -16.280 380 HH TYR 66 HH TYR 66 1.887 24.537 -18.156 381 H ASP 67 H ASP 67 4.346 18.193 -22.557 382 HA ASP 67 HA ASP 67 4.864 20.112 -24.689 383 HB2 ASP 67 HB2 ASP 67 4.313 17.541 -24.862 384 HB3 ASP 67 HB3 ASP 67 2.656 18.070 -24.774 385 H GLN 68 H GLN 68 3.582 21.885 -25.380 386 HA GLN 68 HA GLN 68 1.503 22.883 -23.878 387 HB2 GLN 68 HB2 GLN 68 3.043 23.699 -25.961 388 HB3 GLN 68 HB3 GLN 68 1.569 23.385 -26.865 389 HG2 GLN 68 HG2 GLN 68 1.550 24.988 -24.300 390 HG3 GLN 68 HG3 GLN 68 2.118 25.707 -25.795 391 HE21 GLN 68 HE22 GLN 68 -0.826 23.617 -24.973 392 HE22 GLN 68 HE21 GLN 68 -1.914 24.751 -25.759 393 H GLN 69 H GLN 69 1.222 20.697 -26.765 394 HA GLN 69 HA GLN 69 -1.725 20.809 -26.592 395 HB2 GLN 69 HB2 GLN 69 0.226 19.474 -28.509 396 HB3 GLN 69 HB3 GLN 69 -1.491 19.109 -28.513 397 HG2 GLN 69 HG2 GLN 69 -1.193 20.741 -30.190 398 HG3 GLN 69 HG3 GLN 69 -2.034 21.511 -28.855 399 HE21 GLN 69 HE22 GLN 69 -1.392 23.677 -29.201 400 HE22 GLN 69 HE21 GLN 69 0.292 24.176 -29.235 401 H GLU 70 H GLU 70 0.569 19.140 -24.905 402 HA GLU 70 HA GLU 70 -1.472 17.426 -23.777 403 HB2 GLU 70 HB2 GLU 70 -0.009 15.302 -23.980 404 HB3 GLU 70 HB3 GLU 70 -1.192 15.731 -25.199 405 HG2 GLU 70 HG2 GLU 70 0.617 16.698 -26.640 406 HG3 GLU 70 HG3 GLU 70 1.808 16.150 -25.456 407 H GLN 71 H GLN 71 -1.035 18.738 -22.065 408 HA GLN 71 HA GLN 71 1.418 18.949 -20.659 409 HB2 GLN 71 HB2 GLN 71 -1.421 18.938 -19.563 410 HB3 GLN 71 HB3 GLN 71 0.005 19.600 -18.755 411 HG2 GLN 71 HG2 GLN 71 0.289 21.269 -20.585 412 HG3 GLN 71 HG3 GLN 71 -1.103 20.611 -21.429 413 HE21 GLN 71 HE22 GLN 71 -2.016 22.755 -21.419 414 HE22 GLN 71 HE21 GLN 71 -2.796 23.347 -19.956 415 H HIS 72 H HIS 72 -0.629 16.224 -21.050 416 HA HIS 72 HA HIS 72 0.021 14.803 -18.682 417 HB2 HIS 72 HB2 HIS 72 -1.501 13.347 -19.448 418 HB3 HIS 72 HB3 HIS 72 -1.792 14.464 -20.752 419 HD2 HIS 72 HD2 HIS 72 -0.859 10.936 -20.156 420 HE1 HIS 72 HE1 HIS 72 0.739 11.711 -24.032 421 HE2 HIS 72 HE2 HIS 72 0.177 9.887 -22.348 422 H MET 73 H MET 73 1.836 15.434 -21.536 423 HA MET 73 HA MET 73 3.776 13.225 -21.095 424 HB2 MET 73 HB2 MET 73 2.811 13.225 -23.296 425 HB3 MET 73 HB3 MET 73 3.122 14.953 -23.498 426 HG2 MET 73 HG2 MET 73 4.740 13.662 -24.757 427 HG3 MET 73 HG3 MET 73 5.527 14.574 -23.483 428 HE1 MET 73 HE1 MET 73 5.316 10.020 -23.976 429 HE2 MET 73 HE2 MET 73 3.847 11.022 -24.073 430 HE3 MET 73 HE3 MET 73 5.175 11.269 -25.233 431 H VAL 74 H VAL 74 5.844 13.641 -20.569 432 HA VAL 74 HA VAL 74 6.664 16.463 -20.004 433 HB VAL 74 HB VAL 74 7.558 13.921 -18.588 434 HG11 VAL 74 HG11 VAL 74 8.361 15.479 -16.876 435 HG12 VAL 74 HG12 VAL 74 9.116 15.823 -18.433 436 HG13 VAL 74 HG13 VAL 74 7.803 16.863 -17.842 437 HG21 VAL 74 HG21 VAL 74 6.113 14.702 -16.703 438 HG22 VAL 74 HG22 VAL 74 5.406 15.930 -17.781 439 HG23 VAL 74 HG23 VAL 74 5.174 14.197 -18.102 440 H TYR 75 H TYR 75 8.520 17.181 -20.785 441 HA TYR 75 HA TYR 75 10.547 15.423 -22.059 442 HB2 TYR 75 HB2 TYR 75 9.186 17.823 -23.340 443 HB3 TYR 75 HB3 TYR 75 10.712 17.119 -23.885 444 HD1 TYR 75 HD1 TYR 75 10.610 14.415 -24.045 445 HD2 TYR 75 HD2 TYR 75 7.310 17.126 -24.662 446 HE1 TYR 75 HE1 TYR 75 9.460 12.695 -25.339 447 HE2 TYR 75 HE2 TYR 75 6.191 15.430 -26.087 448 HH TYR 75 HH TYR 75 6.313 13.311 -27.012 449 H CYS 76 H CYS 76 11.711 15.800 -20.270 450 HA CYS 76 HA CYS 76 12.495 18.403 -19.189 451 HB2 CYS 76 HB2 CYS 76 13.193 15.527 -18.696 452 HB3 CYS 76 HB3 CYS 76 13.887 16.832 -17.720 453 HG CYS 76 HG CYS 76 11.604 17.824 -16.869 454 H GLY 77 H GLY 77 13.332 18.245 -21.939 455 HA2 GLY 77 HA2 GLY 77 15.708 16.961 -22.443 456 HA3 GLY 77 HA3 GLY 77 15.204 18.417 -23.305 457 H GLY 78 H GLY 78 17.615 17.030 -21.505 458 HA2 GLY 78 HA2 GLY 78 19.657 17.778 -20.785 459 HA3 GLY 78 HA3 GLY 78 19.253 19.401 -21.341 460 H ASP 79 H ASP 79 16.964 18.145 -18.979 461 HA ASP 79 HA ASP 79 17.949 20.130 -17.053 462 HB2 ASP 79 HB2 ASP 79 15.570 20.004 -17.756 463 HB3 ASP 79 HB3 ASP 79 15.457 18.405 -17.020 464 H LEU 80 H LEU 80 18.206 19.701 -14.816 465 HA LEU 80 HA LEU 80 19.801 17.466 -14.105 466 HB2 LEU 80 HB2 LEU 80 18.547 19.803 -12.743 467 HB3 LEU 80 HB3 LEU 80 18.767 18.391 -11.737 468 HG LEU 80 HG LEU 80 21.166 18.279 -12.308 469 HD11 LEU 80 HD11 LEU 80 20.660 20.906 -13.778 470 HD12 LEU 80 HD12 LEU 80 22.254 20.201 -13.427 471 HD13 LEU 80 HD13 LEU 80 21.152 19.369 -14.526 472 HD21 LEU 80 HD21 LEU 80 21.871 20.286 -11.054 473 HD22 LEU 80 HD22 LEU 80 20.252 20.994 -11.268 474 HD23 LEU 80 HD23 LEU 80 20.469 19.513 -10.306 475 H LEU 81 H LEU 81 16.266 17.775 -14.102 476 HA LEU 81 HA LEU 81 15.811 15.357 -12.577 477 HB2 LEU 81 HB2 LEU 81 14.116 17.088 -12.830 478 HB3 LEU 81 HB3 LEU 81 14.068 16.840 -14.580 479 HG LEU 81 HG LEU 81 13.175 14.567 -14.251 480 HD11 LEU 81 HD11 LEU 81 12.418 13.832 -11.998 481 HD12 LEU 81 HD12 LEU 81 14.168 13.981 -12.063 482 HD13 LEU 81 HD13 LEU 81 13.207 15.249 -11.272 483 HD21 LEU 81 HD21 LEU 81 11.664 16.610 -14.330 484 HD22 LEU 81 HD22 LEU 81 10.973 15.159 -13.597 485 HD23 LEU 81 HD23 LEU 81 11.549 16.481 -12.562 486 H GLY 82 H GLY 82 16.343 15.980 -16.059 487 HA2 GLY 82 HA2 GLY 82 15.995 13.231 -17.025 488 HA3 GLY 82 HA3 GLY 82 16.928 14.551 -17.765 489 H GLU 83 H GLU 83 18.884 15.104 -15.745 490 HA GLU 83 HA GLU 83 20.699 12.943 -16.042 491 HB2 GLU 83 HB2 GLU 83 21.336 15.268 -15.834 492 HB3 GLU 83 HB3 GLU 83 20.546 15.404 -14.253 493 HG2 GLU 83 HG2 GLU 83 22.032 13.887 -13.257 494 HG3 GLU 83 HG3 GLU 83 22.759 13.468 -14.825 495 H LEU 84 H LEU 84 18.521 13.867 -13.335 496 HA LEU 84 HA LEU 84 19.429 11.879 -11.524 497 HB2 LEU 84 HB2 LEU 84 18.310 13.903 -10.867 498 HB3 LEU 84 HB3 LEU 84 16.830 13.461 -11.698 499 HG LEU 84 HG LEU 84 17.887 11.723 -9.443 500 HD11 LEU 84 HD11 LEU 84 16.518 13.043 -7.865 501 HD12 LEU 84 HD12 LEU 84 17.811 14.022 -8.553 502 HD13 LEU 84 HD13 LEU 84 16.147 14.213 -9.151 503 HD21 LEU 84 HD21 LEU 84 15.936 10.806 -10.651 504 HD22 LEU 84 HD22 LEU 84 15.450 11.351 -9.056 505 HD23 LEU 84 HD23 LEU 84 15.073 12.349 -10.469 506 H LEU 85 H LEU 85 16.629 11.872 -13.751 507 HA LEU 85 HA LEU 85 15.834 9.127 -13.082 508 HB2 LEU 85 HB2 LEU 85 14.966 11.092 -15.241 509 HB3 LEU 85 HB3 LEU 85 14.207 9.531 -14.990 510 HG LEU 85 HG LEU 85 14.257 11.761 -12.910 511 HD11 LEU 85 HD11 LEU 85 11.885 12.053 -13.539 512 HD12 LEU 85 HD12 LEU 85 12.952 12.335 -14.926 513 HD13 LEU 85 HD13 LEU 85 12.052 10.807 -14.791 514 HD21 LEU 85 HD21 LEU 85 12.445 10.466 -11.836 515 HD22 LEU 85 HD22 LEU 85 12.683 9.155 -13.007 516 HD23 LEU 85 HD23 LEU 85 13.966 9.561 -11.844 517 H GLY 86 H GLY 86 18.071 10.501 -15.355 518 HA2 GLY 86 HA2 GLY 86 19.538 9.502 -16.805 519 HA3 GLY 86 HA3 GLY 86 18.827 7.918 -16.480 520 H ARG 87 H ARG 87 16.372 10.091 -17.326 521 HA ARG 87 HA ARG 87 16.421 9.352 -20.223 522 HB2 ARG 87 HB2 ARG 87 14.181 8.743 -18.193 523 HB3 ARG 87 HB3 ARG 87 13.975 8.563 -19.941 524 HG2 ARG 87 HG2 ARG 87 15.631 6.844 -20.054 525 HG3 ARG 87 HG3 ARG 87 16.019 7.028 -18.320 526 HD2 ARG 87 HD2 ARG 87 13.649 6.440 -17.777 527 HD3 ARG 87 HD3 ARG 87 13.375 6.095 -19.485 528 HE ARG 87 HE ARG 87 14.597 4.116 -19.300 529 HH11 ARG 87 HH11 ARG 87 15.188 5.853 -16.242 530 HH12 ARG 87 HH12 ARG 87 15.463 4.313 -15.430 531 HH21 ARG 87 HH21 ARG 87 15.163 2.302 -18.074 532 HH22 ARG 87 HH22 ARG 87 15.512 2.540 -16.361 533 H GLN 88 H GLN 88 14.941 11.477 -17.975 534 HA GLN 88 HA GLN 88 13.862 13.412 -18.262 535 HB2 GLN 88 HB2 GLN 88 15.119 14.917 -19.400 536 HB3 GLN 88 HB3 GLN 88 16.195 13.555 -19.474 537 HG2 GLN 88 HG2 GLN 88 14.807 13.170 -21.800 538 HG3 GLN 88 HG3 GLN 88 14.752 14.933 -21.646 539 HE21 GLN 88 HE22 GLN 88 16.774 12.040 -21.897 540 HE22 GLN 88 HE21 GLN 88 18.306 12.859 -22.174 541 H SER 89 H SER 89 12.683 10.910 -20.075 542 HA SER 89 HA SER 89 10.346 12.636 -20.559 543 HB2 SER 89 HB2 SER 89 9.902 11.875 -22.816 544 HB3 SER 89 HB3 SER 89 11.399 12.800 -22.695 545 HG SER 89 HG SER 89 12.585 10.862 -22.800 546 H PHE 90 H PHE 90 8.461 11.848 -20.307 547 HA PHE 90 HA PHE 90 7.636 9.103 -20.170 548 HB2 PHE 90 HB2 PHE 90 7.240 9.075 -17.699 549 HB3 PHE 90 HB3 PHE 90 8.918 8.987 -18.144 550 HD1 PHE 90 HD1 PHE 90 10.461 10.919 -17.728 551 HD2 PHE 90 HD2 PHE 90 6.350 10.952 -16.418 552 HE1 PHE 90 HE1 PHE 90 10.963 12.805 -16.199 553 HE2 PHE 90 HE2 PHE 90 6.879 12.790 -14.840 554 HZ PHE 90 HZ PHE 90 9.202 13.691 -14.699 555 H SER 91 H SER 91 5.356 9.038 -19.167 556 HA SER 91 HA SER 91 3.998 11.689 -19.168 557 HB2 SER 91 HB2 SER 91 2.279 11.024 -20.623 558 HB3 SER 91 HB3 SER 91 3.760 10.492 -21.429 559 HG SER 91 HG SER 91 2.517 8.702 -21.481 560 H VAL 92 H VAL 92 1.727 11.493 -18.233 561 HA VAL 92 HA VAL 92 1.789 9.866 -15.820 562 HB VAL 92 HB VAL 92 -0.417 10.716 -15.312 563 HG11 VAL 92 HG11 VAL 92 0.170 13.041 -15.094 564 HG12 VAL 92 HG12 VAL 92 1.643 12.081 -14.890 565 HG13 VAL 92 HG13 VAL 92 1.349 12.946 -16.412 566 HG21 VAL 92 HG21 VAL 92 -1.436 10.751 -17.565 567 HG22 VAL 92 HG22 VAL 92 -1.544 12.336 -16.784 568 HG23 VAL 92 HG23 VAL 92 -0.322 12.057 -18.040 569 H LYS 93 H LYS 93 1.061 8.966 -18.981 570 HA LYS 93 HA LYS 93 -0.557 6.593 -18.131 571 HB2 LYS 93 HB2 LYS 93 0.127 7.705 -20.880 572 HB3 LYS 93 HB3 LYS 93 -0.666 6.150 -20.603 573 HG2 LYS 93 HG2 LYS 93 -2.521 7.276 -19.408 574 HG3 LYS 93 HG3 LYS 93 -1.768 8.850 -19.710 575 HD2 LYS 93 HD2 LYS 93 -1.948 8.456 -22.167 576 HD3 LYS 93 HD3 LYS 93 -2.713 6.885 -21.847 577 HE2 LYS 93 HE2 LYS 93 -4.551 8.042 -20.624 578 HE3 LYS 93 HE3 LYS 93 -3.795 9.603 -20.965 579 HZ1 LYS 93 HZ1 LYS 93 -4.812 7.714 -23.031 580 HZ2 LYS 93 HZ2 LYS 93 -5.550 9.093 -22.573 581 HZ3 LYS 93 HZ3 LYS 93 -4.117 9.160 -23.350 582 H ASP 94 H ASP 94 2.660 7.526 -19.164 583 HA ASP 94 HA ASP 94 3.605 4.752 -18.595 584 HB2 ASP 94 HB2 ASP 94 3.550 5.167 -21.022 585 HB3 ASP 94 HB3 ASP 94 4.578 6.585 -20.811 586 HA PRO 95 HA PRO 95 5.810 7.929 -16.021 587 HB2 PRO 95 HB2 PRO 95 4.893 7.414 -13.541 588 HB3 PRO 95 HB3 PRO 95 3.846 8.161 -14.777 589 HG2 PRO 95 HG2 PRO 95 4.033 5.191 -14.102 590 HG3 PRO 95 HG3 PRO 95 2.561 6.218 -14.107 591 HD2 PRO 95 HD2 PRO 95 3.293 4.718 -16.261 592 HD3 PRO 95 HD3 PRO 95 2.555 6.339 -16.433 593 H SER 96 H SER 96 6.610 4.959 -16.720 594 HA SER 96 HA SER 96 7.636 3.602 -14.601 595 HB2 SER 96 HB2 SER 96 8.993 2.334 -16.121 596 HB3 SER 96 HB3 SER 96 7.409 2.687 -16.823 597 HG SER 96 HG SER 96 9.075 3.032 -18.347 598 HA PRO 97 HA PRO 97 12.049 5.445 -14.903 599 HB2 PRO 97 HB2 PRO 97 11.443 8.393 -15.067 600 HB3 PRO 97 HB3 PRO 97 12.843 7.484 -15.725 601 HG2 PRO 97 HG2 PRO 97 10.863 8.227 -17.377 602 HG3 PRO 97 HG3 PRO 97 11.468 6.543 -17.481 603 HD2 PRO 97 HD2 PRO 97 9.030 7.526 -15.978 604 HD3 PRO 97 HD3 PRO 97 9.161 6.184 -17.150 605 H LEU 98 H LEU 98 9.463 7.262 -13.280 606 HA LEU 98 HA LEU 98 10.712 7.914 -10.788 607 HB2 LEU 98 HB2 LEU 98 8.592 8.842 -11.322 608 HB3 LEU 98 HB3 LEU 98 7.924 7.289 -11.788 609 HG LEU 98 HG LEU 98 7.735 6.572 -9.466 610 HD11 LEU 98 HD11 LEU 98 9.481 7.798 -8.334 611 HD12 LEU 98 HD12 LEU 98 8.771 9.364 -8.806 612 HD13 LEU 98 HD13 LEU 98 7.935 8.292 -7.657 613 HD21 LEU 98 HD21 LEU 98 6.491 9.304 -9.967 614 HD22 LEU 98 HD22 LEU 98 5.906 7.774 -10.649 615 HD23 LEU 98 HD23 LEU 98 5.877 8.011 -8.902 616 H TYR 99 H TYR 99 8.982 4.960 -11.848 617 HA TYR 99 HA TYR 99 9.469 3.663 -9.325 618 HB2 TYR 99 HB2 TYR 99 8.425 2.490 -11.928 619 HB3 TYR 99 HB3 TYR 99 8.331 1.749 -10.329 620 HD1 TYR 99 HD2 TYR 99 6.973 2.856 -8.499 621 HD2 TYR 99 HD1 TYR 99 6.840 4.218 -12.595 622 HE1 TYR 99 HE2 TYR 99 4.903 4.156 -8.010 623 HE2 TYR 99 HE1 TYR 99 4.816 5.529 -12.095 624 HH TYR 99 HH TYR 99 3.228 6.101 -10.517 625 H ASP 100 H ASP 100 11.161 3.592 -12.449 626 HA ASP 100 HA ASP 100 12.937 1.441 -11.788 627 HB2 ASP 100 HB2 ASP 100 12.510 2.503 -14.051 628 HB3 ASP 100 HB3 ASP 100 13.472 3.878 -13.545 629 H MET 101 H MET 101 13.076 4.941 -11.081 630 HA MET 101 HA MET 101 15.656 4.985 -9.814 631 HB2 MET 101 HB2 MET 101 14.800 7.009 -10.638 632 HB3 MET 101 HB3 MET 101 13.170 6.689 -10.055 633 HG2 MET 101 HG2 MET 101 13.998 6.907 -7.738 634 HG3 MET 101 HG3 MET 101 15.536 7.497 -8.405 635 HE1 MET 101 HE1 MET 101 11.426 9.565 -8.115 636 HE2 MET 101 HE2 MET 101 11.652 7.876 -8.638 637 HE3 MET 101 HE3 MET 101 12.111 8.365 -6.998 638 H LEU 102 H LEU 102 12.281 4.449 -8.640 639 HA LEU 102 HA LEU 102 13.025 4.216 -5.850 640 HB2 LEU 102 HB2 LEU 102 10.586 3.446 -7.478 641 HB3 LEU 102 HB3 LEU 102 10.694 3.112 -5.760 642 HG LEU 102 HG LEU 102 11.094 5.930 -6.853 643 HD11 LEU 102 HD11 LEU 102 8.896 5.215 -7.556 644 HD12 LEU 102 HD12 LEU 102 8.543 4.544 -5.957 645 HD13 LEU 102 HD13 LEU 102 8.733 6.309 -6.178 646 HD21 LEU 102 HD21 LEU 102 10.570 4.729 -4.100 647 HD22 LEU 102 HD22 LEU 102 11.943 5.722 -4.627 648 HD23 LEU 102 HD23 LEU 102 10.350 6.449 -4.456 649 H ARG 103 H ARG 103 12.328 1.661 -8.301 650 HA ARG 103 HA ARG 103 12.482 -0.465 -6.544 651 HB2 ARG 103 HB2 ARG 103 12.616 -1.917 -8.474 652 HB3 ARG 103 HB3 ARG 103 11.606 -0.524 -8.847 653 HG2 ARG 103 HG2 ARG 103 12.727 -0.733 -10.782 654 HG3 ARG 103 HG3 ARG 103 13.690 0.480 -9.952 655 HD2 ARG 103 HD2 ARG 103 15.393 -1.261 -9.412 656 HD3 ARG 103 HD3 ARG 103 14.372 -2.472 -10.218 657 HE ARG 103 HE ARG 103 14.854 -0.290 -12.021 658 HH11 ARG 103 HH11 ARG 103 16.718 -2.957 -10.671 659 HH12 ARG 103 HH12 ARG 103 17.807 -2.948 -12.032 660 HH21 ARG 103 HH21 ARG 103 16.144 -0.335 -13.596 661 HH22 ARG 103 HH22 ARG 103 17.499 -1.466 -13.711 662 H LYS 104 H LYS 104 15.134 1.104 -8.066 663 HA LYS 104 HA LYS 104 17.295 -0.678 -7.307 664 HB2 LYS 104 HB2 LYS 104 17.396 0.871 -9.176 665 HB3 LYS 104 HB3 LYS 104 17.137 2.257 -8.104 666 HG2 LYS 104 HG2 LYS 104 19.310 2.016 -7.111 667 HG3 LYS 104 HG3 LYS 104 19.555 0.427 -7.858 668 HD2 LYS 104 HD2 LYS 104 20.837 2.236 -8.976 669 HD3 LYS 104 HD3 LYS 104 19.726 1.395 -10.065 670 HE2 LYS 104 HE2 LYS 104 18.098 3.230 -9.904 671 HE3 LYS 104 HE3 LYS 104 19.102 4.057 -8.705 672 HZ1 LYS 104 HZ1 LYS 104 20.840 4.290 -10.418 673 HZ2 LYS 104 HZ2 LYS 104 19.915 3.526 -11.527 674 HZ3 LYS 104 HZ3 LYS 104 19.457 4.979 -10.940 675 H ASN 105 H ASN 105 15.562 1.804 -5.601 676 HA ASN 105 HA ASN 105 17.398 1.678 -3.253 677 HB2 ASN 105 HB2 ASN 105 15.297 3.722 -4.057 678 HB3 ASN 105 HB3 ASN 105 16.161 3.704 -2.506 679 HD21 ASN 105 HD22 ASN 105 16.457 4.443 -5.971 680 HD22 ASN 105 HD21 ASN 105 18.062 5.137 -5.793 681 H LEU 106 H LEU 106 13.869 2.367 -2.977 682 HA LEU 106 HA LEU 106 13.503 0.062 -1.212 683 HB2 LEU 106 HB2 LEU 106 12.457 2.196 -0.666 684 HB3 LEU 106 HB3 LEU 106 11.733 2.303 -2.273 685 HG LEU 106 HG LEU 106 10.318 0.310 -1.768 686 HD11 LEU 106 HD11 LEU 106 10.098 -0.394 0.614 687 HD12 LEU 106 HD12 LEU 106 11.650 -0.847 -0.094 688 HD13 LEU 106 HD13 LEU 106 11.552 0.550 1.001 689 HD21 LEU 106 HD21 LEU 106 8.798 1.461 -0.244 690 HD22 LEU 106 HD22 LEU 106 10.094 2.573 0.239 691 HD23 LEU 106 HD23 LEU 106 9.477 2.590 -1.429 692 H VAL 107 H VAL 107 13.257 -1.933 -2.169 693 HA VAL 107 HA VAL 107 12.236 -2.382 -4.820 694 HB VAL 107 HB VAL 107 11.784 -4.724 -4.037 695 HG11 VAL 107 HG11 VAL 107 14.584 -3.609 -3.589 696 HG12 VAL 107 HG12 VAL 107 14.169 -5.299 -3.948 697 HG13 VAL 107 HG13 VAL 107 13.864 -4.041 -5.154 698 HG21 VAL 107 HG21 VAL 107 13.203 -3.858 -1.471 699 HG22 VAL 107 HG22 VAL 107 11.501 -4.357 -1.585 700 HG23 VAL 107 HG23 VAL 107 12.784 -5.510 -1.951 701 H THR 108 H THR 108 10.293 -1.962 -5.590 702 HA THR 108 HA THR 108 7.859 -2.224 -3.943 703 HB THR 108 HB THR 108 8.920 -0.011 -3.404 704 HG1 THR 108 HG1 THR 108 6.942 0.928 -3.308 705 HG21 THR 108 HG21 THR 108 8.617 1.882 -4.867 706 HG22 THR 108 HG22 THR 108 9.677 0.698 -5.657 707 HG23 THR 108 HG23 THR 108 7.979 0.852 -6.158 708 H LEU 109 H LEU 109 6.017 -1.131 -5.214 709 HA LEU 109 HA LEU 109 5.705 -2.742 -7.677 710 HB2 LEU 109 HB2 LEU 109 3.736 -0.949 -6.204 711 HB3 LEU 109 HB3 LEU 109 3.339 -2.010 -7.551 712 HG LEU 109 HG LEU 109 4.308 -2.917 -4.802 713 HD11 LEU 109 HD11 LEU 109 2.002 -2.039 -4.830 714 HD12 LEU 109 HD12 LEU 109 1.589 -3.150 -6.157 715 HD13 LEU 109 HD13 LEU 109 2.029 -3.789 -4.556 716 HD21 LEU 109 HD21 LEU 109 3.432 -4.556 -7.224 717 HD22 LEU 109 HD22 LEU 109 5.055 -4.532 -6.492 718 HD23 LEU 109 HD23 LEU 109 3.695 -5.199 -5.588 719 H ALA 110 H ALA 110 4.777 -1.863 -9.653 720 HA ALA 110 HA ALA 110 5.450 0.961 -10.278 721 HB1 ALA 110 HB1 ALA 110 6.788 0.272 -12.195 722 HB2 ALA 110 HB2 ALA 110 7.488 -0.437 -10.717 723 HB3 ALA 110 HB3 ALA 110 6.509 -1.440 -11.820 724 H THR 111 H THR 111 4.845 1.550 -12.528 725 HA THR 111 HA THR 111 2.680 0.038 -13.798 726 HB THR 111 HB THR 111 1.726 1.116 -11.770 727 HG1 THR 111 HG1 THR 111 0.325 0.604 -13.405 728 HG21 THR 111 HG21 THR 111 2.922 3.289 -11.819 729 HG22 THR 111 HG22 THR 111 2.012 3.749 -13.278 730 HG23 THR 111 HG23 THR 111 1.165 3.474 -11.745 731 HD1 49H 200 HD1 49H 200 1.819 14.348 -13.251 732 HD2 49H 200 HD2 49H 200 2.155 12.703 -9.280 733 HD3 49H 200 HD3 49H 200 0.512 11.554 -12.836 734 HD4 49H 200 HD4 49H 200 -1.246 11.433 -8.912 735 HD5 49H 200 HD5 49H 200 -2.761 13.864 -14.311 736 HE1 49H 200 HE1 49H 200 3.984 13.330 -13.850 737 HE2 49H 200 HE2 49H 200 4.310 11.670 -9.903 738 HE4 49H 200 HE4 49H 200 -0.772 9.010 -8.776 739 HE5 49H 200 HE5 49H 200 -3.308 14.668 -16.537 740 HE6 49H 200 HE6 49H 200 -0.159 17.543 -16.327 741 HZ2 49H 200 HZ2 49H 200 0.373 7.857 -10.658 742 HM11 49H 200 HM11 49H 200 -3.275 16.940 -19.478 743 HM12 49H 200 HM12 49H 200 -3.287 15.306 -18.763 744 HM13 49H 200 HM13 49H 200 -4.130 16.653 -17.938 745 HM21 49H 200 HM21 49H 200 1.941 16.004 -16.232 746 HM22 49H 200 HM22 49H 200 3.395 16.984 -16.053 747 HM23 49H 200 HM23 49H 200 3.067 15.674 -14.908 748 HM31 49H 200 HM31 49H 200 2.197 18.640 -12.811 749 HM32 49H 200 HM32 49H 200 3.206 17.192 -12.923 750 HM33 49H 200 HM33 49H 200 3.564 18.610 -13.927 751 HN1 49H 200 HN1 49H 200 -3.508 20.116 -10.373 752 H21 49H 200 H21 49H 200 -3.224 17.565 -9.828 753 H22 49H 200 H22 49H 200 -4.164 18.001 -11.267 754 H31 49H 200 H31 49H 200 -2.449 16.224 -11.580 755 H32 49H 200 H32 49H 200 -2.301 17.569 -12.729 756 H41 49H 200 H41 49H 200 0.082 19.332 -11.909 757 H42 49H 200 H42 49H 200 0.272 18.985 -10.179 758 H7 49H 200 H7 49H 200 -1.458 13.393 -10.189 759 H8 49H 200 H8 49H 200 0.494 14.455 -9.767 760 H9 49H 200 H9 49H 200 1.469 18.303 -15.191 Start of MODEL 18 1 H1 GLN 23 H GLN 23 15.993 6.210 9.056 2 HA GLN 23 HA GLN 23 16.042 3.308 9.485 3 HB2 GLN 23 HB2 GLN 23 14.879 5.546 11.201 4 HB3 GLN 23 HB3 GLN 23 14.985 3.845 11.675 5 HG2 GLN 23 HG2 GLN 23 17.470 3.941 11.449 6 HG3 GLN 23 HG3 GLN 23 17.356 5.672 11.107 7 HE21 GLN 23 HE22 GLN 23 16.394 7.088 12.867 8 HE22 GLN 23 HE21 GLN 23 16.584 6.544 14.529 9 H ILE 24 H ILE 24 14.543 4.370 7.250 10 HA ILE 24 HA ILE 24 11.869 3.154 7.733 11 HB ILE 24 HB ILE 24 11.034 4.896 6.090 12 HG12 ILE 24 HG12 ILE 24 13.435 6.493 7.078 13 HG13 ILE 24 HG13 ILE 24 13.143 5.957 5.427 14 HG21 ILE 24 HG21 ILE 24 10.356 4.687 8.455 15 HG22 ILE 24 HG22 ILE 24 11.639 5.837 8.908 16 HG23 ILE 24 HG23 ILE 24 10.285 6.345 7.863 17 HD11 ILE 24 HD11 ILE 24 11.622 8.074 7.001 18 HD12 ILE 24 HD12 ILE 24 12.584 8.282 5.534 19 HD13 ILE 24 HD13 ILE 24 11.031 7.446 5.457 20 H ASN 25 H ASN 25 10.704 2.486 5.895 21 HA ASN 25 HA ASN 25 12.502 1.055 4.103 22 HB2 ASN 25 HB2 ASN 25 9.519 0.679 4.512 23 HB3 ASN 25 HB3 ASN 25 10.656 -0.485 3.818 24 HD21 ASN 25 HD22 ASN 25 12.641 -0.914 5.516 25 HD22 ASN 25 HD21 ASN 25 12.084 -1.161 7.163 26 H GLN 26 H GLN 26 12.806 3.295 3.193 27 HA GLN 26 HA GLN 26 11.608 3.757 0.595 28 HB2 GLN 26 HB2 GLN 26 10.756 6.055 1.244 29 HB3 GLN 26 HB3 GLN 26 9.752 4.681 1.587 30 HG2 GLN 26 HG2 GLN 26 11.429 5.319 3.902 31 HG3 GLN 26 HG3 GLN 26 10.574 6.735 3.359 32 HE21 GLN 26 HE22 GLN 26 9.218 3.336 3.227 33 HE22 GLN 26 HE21 GLN 26 8.021 3.686 4.458 34 H VAL 27 H VAL 27 12.426 6.384 0.145 35 HA VAL 27 HA VAL 27 15.346 5.817 0.102 36 HB VAL 27 HB VAL 27 15.132 7.880 -1.598 37 HG11 VAL 27 HG11 VAL 27 14.879 6.249 -3.409 38 HG12 VAL 27 HG12 VAL 27 15.988 5.713 -2.140 39 HG13 VAL 27 HG13 VAL 27 14.335 5.032 -2.225 40 HG21 VAL 27 HG21 VAL 27 12.660 8.218 -1.280 41 HG22 VAL 27 HG22 VAL 27 13.155 7.879 -2.936 42 HG23 VAL 27 HG23 VAL 27 12.393 6.602 -1.974 43 H ARG 28 H ARG 28 16.766 7.750 0.014 44 HA ARG 28 HA ARG 28 16.175 10.203 1.386 45 HB2 ARG 28 HB2 ARG 28 16.542 8.441 3.259 46 HB3 ARG 28 HB3 ARG 28 18.195 8.264 2.715 47 HG2 ARG 28 HG2 ARG 28 17.052 10.944 3.554 48 HG3 ARG 28 HG3 ARG 28 17.579 9.789 4.755 49 HD2 ARG 28 HD2 ARG 28 19.384 10.900 2.581 50 HD3 ARG 28 HD3 ARG 28 19.190 11.606 4.181 51 HE ARG 28 HE ARG 28 19.814 9.070 4.864 52 HH11 ARG 28 HH11 ARG 28 21.498 11.099 2.503 53 HH12 ARG 28 HH12 ARG 28 23.039 10.414 2.941 54 HH21 ARG 28 HH21 ARG 28 21.802 8.220 5.268 55 HH22 ARG 28 HH22 ARG 28 23.199 8.812 4.421 56 HA PRO 29 HA PRO 29 19.505 10.687 -1.590 57 HB2 PRO 29 HB2 PRO 29 19.331 13.309 -2.050 58 HB3 PRO 29 HB3 PRO 29 17.843 12.325 -2.100 59 HG2 PRO 29 HG2 PRO 29 18.916 13.936 0.260 60 HG3 PRO 29 HG3 PRO 29 17.314 14.048 -0.505 61 HD2 PRO 29 HD2 PRO 29 17.902 12.446 1.703 62 HD3 PRO 29 HD3 PRO 29 16.607 12.057 0.540 63 H LYS 30 H LYS 30 21.312 12.123 -2.215 64 HA LYS 30 HA LYS 30 23.161 13.009 -0.030 65 HB2 LYS 30 HB2 LYS 30 23.865 11.090 -1.594 66 HB3 LYS 30 HB3 LYS 30 23.838 12.260 -2.915 67 HG2 LYS 30 HG2 LYS 30 25.571 13.616 -1.622 68 HG3 LYS 30 HG3 LYS 30 25.607 12.309 -0.426 69 HD2 LYS 30 HD2 LYS 30 26.284 10.718 -2.228 70 HD3 LYS 30 HD3 LYS 30 26.251 12.055 -3.402 71 HE2 LYS 30 HE2 LYS 30 27.998 13.246 -2.092 72 HE3 LYS 30 HE3 LYS 30 28.017 11.932 -0.909 73 HZ1 LYS 30 HZ1 LYS 30 28.782 10.433 -2.680 74 HZ2 LYS 30 HZ2 LYS 30 28.766 11.646 -3.778 75 HZ3 LYS 30 HZ3 LYS 30 29.813 11.687 -2.529 76 H LEU 31 H LEU 31 24.265 15.109 -0.568 77 HA LEU 31 HA LEU 31 22.520 17.155 -1.008 78 HB2 LEU 31 HB2 LEU 31 25.502 17.165 -1.582 79 HB3 LEU 31 HB3 LEU 31 24.513 18.615 -1.447 80 HG LEU 31 HG LEU 31 24.985 16.592 0.784 81 HD11 LEU 31 HD11 LEU 31 26.321 18.384 1.798 82 HD12 LEU 31 HD12 LEU 31 26.972 17.942 0.212 83 HD13 LEU 31 HD13 LEU 31 26.018 19.432 0.393 84 HD21 LEU 31 HD21 LEU 31 22.800 17.644 1.113 85 HD22 LEU 31 HD22 LEU 31 23.957 18.338 2.246 86 HD23 LEU 31 HD23 LEU 31 23.493 19.254 0.796 87 HA PRO 32 HA PRO 32 23.297 17.897 -5.645 88 HB2 PRO 32 HB2 PRO 32 24.220 15.899 -7.282 89 HB3 PRO 32 HB3 PRO 32 25.260 17.085 -6.439 90 HG2 PRO 32 HG2 PRO 32 24.577 14.269 -5.544 91 HG3 PRO 32 HG3 PRO 32 26.195 15.035 -5.650 92 HD2 PRO 32 HD2 PRO 32 24.863 14.928 -3.324 93 HD3 PRO 32 HD3 PRO 32 25.772 16.400 -3.766 94 H LEU 33 H LEU 33 22.106 14.782 -4.535 95 HA LEU 33 HA LEU 33 19.925 14.766 -6.558 96 HB2 LEU 33 HB2 LEU 33 20.612 12.916 -4.241 97 HB3 LEU 33 HB3 LEU 33 19.139 12.791 -5.177 98 HG LEU 33 HG LEU 33 20.596 11.150 -5.986 99 HD11 LEU 33 HD11 LEU 33 19.294 12.470 -7.695 100 HD12 LEU 33 HD12 LEU 33 20.787 13.360 -8.066 101 HD13 LEU 33 HD13 LEU 33 20.714 11.609 -8.327 102 HD21 LEU 33 HD21 LEU 33 22.763 12.134 -5.226 103 HD22 LEU 33 HD22 LEU 33 22.801 11.461 -6.863 104 HD23 LEU 33 HD23 LEU 33 22.723 13.214 -6.644 105 H LEU 34 H LEU 34 20.367 15.547 -3.117 106 HA LEU 34 HA LEU 34 17.662 16.013 -2.424 107 HB2 LEU 34 HB2 LEU 34 19.474 15.909 -0.812 108 HB3 LEU 34 HB3 LEU 34 20.256 17.315 -1.478 109 HG LEU 34 HG LEU 34 17.462 17.693 -0.338 110 HD11 LEU 34 HD11 LEU 34 18.636 16.352 1.360 111 HD12 LEU 34 HD12 LEU 34 20.019 17.469 1.302 112 HD13 LEU 34 HD13 LEU 34 18.437 18.026 1.891 113 HD21 LEU 34 HD21 LEU 34 20.001 19.396 -0.284 114 HD22 LEU 34 HD22 LEU 34 18.631 19.644 -1.382 115 HD23 LEU 34 HD23 LEU 34 18.409 19.857 0.351 116 H LYS 35 H LYS 35 19.969 18.210 -4.069 117 HA LYS 35 HA LYS 35 18.257 20.504 -3.785 118 HB2 LYS 35 HB2 LYS 35 19.701 21.747 -5.018 119 HB3 LYS 35 HB3 LYS 35 20.491 20.752 -3.801 120 HG2 LYS 35 HG2 LYS 35 21.099 19.133 -5.740 121 HG3 LYS 35 HG3 LYS 35 20.567 20.448 -6.833 122 HD2 LYS 35 HD2 LYS 35 21.987 22.005 -5.421 123 HD3 LYS 35 HD3 LYS 35 22.599 20.577 -4.577 124 HE2 LYS 35 HE2 LYS 35 23.509 19.701 -6.758 125 HE3 LYS 35 HE3 LYS 35 22.859 21.114 -7.593 126 HZ1 LYS 35 HZ1 LYS 35 24.356 22.517 -6.271 127 HZ2 LYS 35 HZ2 LYS 35 24.964 21.219 -5.485 128 HZ3 LYS 35 HZ3 LYS 35 25.220 21.403 -7.086 129 H ILE 36 H ILE 36 18.222 17.990 -6.142 130 HA ILE 36 HA ILE 36 16.655 19.272 -8.205 131 HB ILE 36 HB ILE 36 16.671 16.330 -7.407 132 HG12 ILE 36 HG12 ILE 36 18.492 17.724 -9.418 133 HG13 ILE 36 HG13 ILE 36 18.994 17.227 -7.809 134 HG21 ILE 36 HG21 ILE 36 16.066 17.641 -10.100 135 HG22 ILE 36 HG22 ILE 36 15.985 15.908 -9.724 136 HG23 ILE 36 HG23 ILE 36 14.838 17.011 -8.981 137 HD11 ILE 36 HD11 ILE 36 19.762 15.555 -9.254 138 HD12 ILE 36 HD12 ILE 36 18.406 14.868 -8.346 139 HD13 ILE 36 HD13 ILE 36 18.176 15.375 -10.048 140 H LEU 37 H LEU 37 15.742 17.206 -5.389 141 HA LEU 37 HA LEU 37 12.903 17.752 -5.646 142 HB2 LEU 37 HB2 LEU 37 14.734 16.399 -3.653 143 HB3 LEU 37 HB3 LEU 37 13.199 16.932 -3.078 144 HG LEU 37 HG LEU 37 13.238 14.570 -3.768 145 HD11 LEU 37 HD11 LEU 37 11.149 15.811 -3.643 146 HD12 LEU 37 HD12 LEU 37 11.289 16.251 -5.365 147 HD13 LEU 37 HD13 LEU 37 11.096 14.552 -4.886 148 HD21 LEU 37 HD21 LEU 37 13.111 13.884 -6.056 149 HD22 LEU 37 HD22 LEU 37 13.356 15.547 -6.633 150 HD23 LEU 37 HD23 LEU 37 14.665 14.695 -5.772 151 H HIS 38 H HIS 38 15.530 19.359 -3.851 152 HA HIS 38 HA HIS 38 13.794 21.048 -2.326 153 HB2 HIS 38 HB2 HIS 38 16.412 20.439 -2.154 154 HB3 HIS 38 HB3 HIS 38 16.568 21.989 -2.983 155 HD2 HIS 38 HD2 HIS 38 14.472 20.560 -0.024 156 HE1 HIS 38 HE1 HIS 38 15.999 24.343 1.248 157 HE2 HIS 38 HE2 HIS 38 14.596 22.333 1.942 158 H ALA 39 H ALA 39 15.182 21.514 -5.580 159 HA ALA 39 HA ALA 39 14.333 24.171 -6.007 160 HB1 ALA 39 HB1 ALA 39 15.773 22.854 -7.551 161 HB2 ALA 39 HB2 ALA 39 14.370 21.841 -7.978 162 HB3 ALA 39 HB3 ALA 39 14.380 23.560 -8.394 163 H ALA 40 H ALA 40 12.416 21.277 -5.670 164 HA ALA 40 HA ALA 40 9.928 22.674 -6.478 165 HB1 ALA 40 HB1 ALA 40 10.455 20.602 -7.636 166 HB2 ALA 40 HB2 ALA 40 10.497 19.710 -6.096 167 HB3 ALA 40 HB3 ALA 40 8.979 20.429 -6.677 168 H GLY 41 H GLY 41 11.475 22.982 -3.817 169 HA2 GLY 41 HA2 GLY 41 10.753 23.666 -1.759 170 HA3 GLY 41 HA3 GLY 41 9.091 23.373 -2.271 171 H ALA 42 H ALA 42 11.204 20.607 -2.394 172 HA ALA 42 HA ALA 42 9.684 19.225 -0.356 173 HB1 ALA 42 HB1 ALA 42 12.154 18.370 -1.882 174 HB2 ALA 42 HB2 ALA 42 10.872 17.306 -1.248 175 HB3 ALA 42 HB3 ALA 42 10.534 18.364 -2.627 176 H GLN 43 H GLN 43 11.701 17.465 0.595 177 HA GLN 43 HA GLN 43 13.967 18.976 1.746 178 HB2 GLN 43 HB2 GLN 43 13.647 18.003 3.983 179 HB3 GLN 43 HB3 GLN 43 12.414 19.180 3.547 180 HG2 GLN 43 HG2 GLN 43 10.781 17.377 3.110 181 HG3 GLN 43 HG3 GLN 43 12.000 16.156 3.490 182 HE21 GLN 43 HE22 GLN 43 12.850 16.073 5.752 183 HE22 GLN 43 HE21 GLN 43 11.816 16.682 7.039 184 H GLY 44 H GLY 44 14.532 17.773 -0.274 185 HA2 GLY 44 HA2 GLY 44 15.928 16.160 -1.172 186 HA3 GLY 44 HA3 GLY 44 16.029 15.411 0.433 187 H GLU 45 H GLU 45 15.685 13.303 -0.212 188 HA GLU 45 HA GLU 45 13.041 12.515 -1.361 189 HB2 GLU 45 HB2 GLU 45 15.749 11.199 -1.792 190 HB3 GLU 45 HB3 GLU 45 14.207 10.539 -2.334 191 HG2 GLU 45 HG2 GLU 45 13.835 12.446 -3.797 192 HG3 GLU 45 HG3 GLU 45 15.394 13.147 -3.320 193 H MET 46 H MET 46 13.923 12.872 1.469 194 HA MET 46 HA MET 46 14.482 10.270 2.587 195 HB2 MET 46 HB2 MET 46 14.702 11.376 4.624 196 HB3 MET 46 HB3 MET 46 15.465 12.319 3.329 197 HG2 MET 46 HG2 MET 46 13.533 13.797 3.223 198 HG3 MET 46 HG3 MET 46 12.771 12.963 4.569 199 HE1 MET 46 HE1 MET 46 13.500 13.085 7.057 200 HE2 MET 46 HE2 MET 46 15.121 12.456 6.677 201 HE3 MET 46 HE3 MET 46 14.947 13.932 7.646 202 H PHE 47 H PHE 47 12.228 9.833 1.311 203 HA PHE 47 HA PHE 47 10.186 9.029 3.234 204 HB2 PHE 47 HB2 PHE 47 8.451 10.659 2.274 205 HB3 PHE 47 HB3 PHE 47 9.606 11.205 3.471 206 HD1 PHE 47 HD2 PHE 47 9.322 10.944 -0.281 207 HD2 PHE 47 HD1 PHE 47 10.796 13.244 3.057 208 HE1 PHE 47 HE2 PHE 47 9.982 12.776 -1.810 209 HE2 PHE 47 HE1 PHE 47 11.630 14.963 1.494 210 HZ PHE 47 HZ PHE 47 11.055 14.810 -0.927 211 H THR 48 H THR 48 8.066 8.449 2.103 212 HA THR 48 HA THR 48 8.652 6.299 0.373 213 HB THR 48 HB THR 48 5.801 7.189 0.724 214 HG1 THR 48 HG1 THR 48 5.823 6.660 2.906 215 HG21 THR 48 HG21 THR 48 5.525 4.850 1.531 216 HG22 THR 48 HG22 THR 48 6.236 4.889 -0.080 217 HG23 THR 48 HG23 THR 48 7.266 4.577 1.339 218 H VAL 49 H VAL 49 7.383 5.660 -1.527 219 HA VAL 49 HA VAL 49 7.886 7.072 -3.820 220 HB VAL 49 HB VAL 49 5.532 5.178 -3.403 221 HG11 VAL 49 HG11 VAL 49 7.017 6.002 -5.928 222 HG12 VAL 49 HG12 VAL 49 5.919 4.610 -5.819 223 HG13 VAL 49 HG13 VAL 49 5.302 6.238 -5.562 224 HG21 VAL 49 HG21 VAL 49 7.165 3.445 -4.261 225 HG22 VAL 49 HG22 VAL 49 8.466 4.622 -3.962 226 HG23 VAL 49 HG23 VAL 49 7.465 4.022 -2.627 227 H LYS 50 H LYS 50 4.838 7.249 -1.953 228 HA LYS 50 HA LYS 50 3.510 8.941 -3.877 229 HB2 LYS 50 HB2 LYS 50 2.868 8.561 -0.907 230 HB3 LYS 50 HB3 LYS 50 1.850 9.358 -2.090 231 HG2 LYS 50 HG2 LYS 50 0.833 7.354 -2.169 232 HG3 LYS 50 HG3 LYS 50 2.029 7.095 -3.424 233 HD2 LYS 50 HD2 LYS 50 1.860 5.115 -2.032 234 HD3 LYS 50 HD3 LYS 50 3.444 5.823 -1.826 235 HE2 LYS 50 HE2 LYS 50 2.722 5.138 0.336 236 HE3 LYS 50 HE3 LYS 50 2.636 6.895 0.335 237 HZ1 LYS 50 HZ1 LYS 50 0.638 5.878 1.305 238 HZ2 LYS 50 HZ2 LYS 50 0.213 6.705 -0.031 239 HZ3 LYS 50 HZ3 LYS 50 0.308 5.072 -0.070 240 H GLU 51 H GLU 51 5.602 9.671 -1.195 241 HA GLU 51 HA GLU 51 5.028 12.552 -1.278 242 HB2 GLU 51 HB2 GLU 51 7.176 10.950 0.165 243 HB3 GLU 51 HB3 GLU 51 6.927 12.691 0.337 244 HG2 GLU 51 HG2 GLU 51 4.959 10.483 1.081 245 HG3 GLU 51 HG3 GLU 51 5.953 11.409 2.191 246 H VAL 52 H VAL 52 7.800 10.456 -2.431 247 HA VAL 52 HA VAL 52 9.213 12.657 -3.711 248 HB VAL 52 HB VAL 52 10.144 11.062 -5.250 249 HG11 VAL 52 HG11 VAL 52 11.460 9.758 -3.618 250 HG12 VAL 52 HG12 VAL 52 11.243 11.417 -3.064 251 HG13 VAL 52 HG13 VAL 52 10.259 10.091 -2.365 252 HG21 VAL 52 HG21 VAL 52 8.615 8.955 -3.765 253 HG22 VAL 52 HG22 VAL 52 8.412 9.341 -5.503 254 HG23 VAL 52 HG23 VAL 52 9.914 8.641 -4.921 255 H MET 53 H MET 53 6.728 10.540 -5.077 256 HA MET 53 HA MET 53 6.767 11.902 -7.600 257 HB2 MET 53 HB2 MET 53 5.025 10.586 -8.313 258 HB3 MET 53 HB3 MET 53 5.925 9.574 -7.189 259 HG2 MET 53 HG2 MET 53 4.246 10.172 -5.422 260 HG3 MET 53 HG3 MET 53 3.301 11.027 -6.637 261 HE1 MET 53 HE1 MET 53 2.065 8.210 -9.004 262 HE2 MET 53 HE2 MET 53 2.086 9.953 -8.642 263 HE3 MET 53 HE3 MET 53 3.554 9.146 -9.237 264 H HIS 54 H HIS 54 4.971 12.679 -4.666 265 HA HIS 54 HA HIS 54 3.195 14.681 -5.737 266 HB2 HIS 54 HB2 HIS 54 2.649 14.062 -3.566 267 HB3 HIS 54 HB3 HIS 54 4.308 13.905 -3.067 268 HD2 HIS 54 HD2 HIS 54 5.193 15.638 -1.478 269 HE1 HIS 54 HE1 HIS 54 2.916 19.017 -2.697 270 HE2 HIS 54 HE2 HIS 54 4.687 18.185 -1.072 271 H TYR 55 H TYR 55 6.327 15.217 -4.007 272 HA TYR 55 HA TYR 55 6.820 17.792 -4.857 273 HB2 TYR 55 HB2 TYR 55 8.813 15.572 -4.406 274 HB3 TYR 55 HB3 TYR 55 9.200 17.295 -4.460 275 HD1 TYR 55 HD2 TYR 55 7.635 18.783 -2.815 276 HD2 TYR 55 HD1 TYR 55 8.700 14.664 -2.266 277 HE1 TYR 55 HE2 TYR 55 7.119 18.996 -0.389 278 HE2 TYR 55 HE1 TYR 55 8.195 14.863 0.176 279 HH TYR 55 HH TYR 55 7.048 17.926 1.650 280 H LEU 56 H LEU 56 7.600 14.813 -6.768 281 HA LEU 56 HA LEU 56 8.858 16.272 -8.909 282 HB2 LEU 56 HB2 LEU 56 7.950 13.484 -8.450 283 HB3 LEU 56 HB3 LEU 56 7.896 14.003 -10.124 284 HG LEU 56 HG LEU 56 10.256 14.639 -10.079 285 HD11 LEU 56 HD11 LEU 56 11.724 13.995 -8.214 286 HD12 LEU 56 HD12 LEU 56 10.560 15.215 -7.689 287 HD13 LEU 56 HD13 LEU 56 10.315 13.510 -7.248 288 HD21 LEU 56 HD21 LEU 56 9.637 12.360 -10.737 289 HD22 LEU 56 HD22 LEU 56 11.187 12.342 -9.878 290 HD23 LEU 56 HD23 LEU 56 9.711 11.825 -9.039 291 H GLY 57 H GLY 57 5.380 15.408 -8.444 292 HA2 GLY 57 HA2 GLY 57 4.423 16.336 -10.955 293 HA3 GLY 57 HA3 GLY 57 3.532 16.374 -9.429 294 H GLN 58 H GLN 58 4.862 18.185 -7.881 295 HA GLN 58 HA GLN 58 4.319 20.701 -9.188 296 HB2 GLN 58 HB2 GLN 58 4.843 21.818 -7.156 297 HB3 GLN 58 HB3 GLN 58 3.763 20.449 -6.911 298 HG2 GLN 58 HG2 GLN 58 5.756 19.121 -6.125 299 HG3 GLN 58 HG3 GLN 58 6.717 20.602 -6.201 300 HE21 GLN 58 HE22 GLN 58 7.125 20.580 -3.865 301 HE22 GLN 58 HE21 GLN 58 5.813 20.791 -2.723 302 H TYR 59 H TYR 59 7.413 18.958 -8.671 303 HA TYR 59 HA TYR 59 9.157 21.006 -9.604 304 HB2 TYR 59 HB2 TYR 59 9.878 18.717 -8.787 305 HB3 TYR 59 HB3 TYR 59 9.314 18.037 -10.288 306 HD1 TYR 59 HD2 TYR 59 10.361 18.895 -12.535 307 HD2 TYR 59 HD1 TYR 59 12.132 19.454 -8.633 308 HE1 TYR 59 HE2 TYR 59 12.591 19.201 -13.581 309 HE2 TYR 59 HE1 TYR 59 14.348 19.753 -9.698 310 HH TYR 59 HH TYR 59 15.571 19.633 -11.642 311 H ILE 60 H ILE 60 7.404 18.512 -11.548 312 HA ILE 60 HA ILE 60 8.145 19.503 -14.111 313 HB ILE 60 HB ILE 60 5.633 18.035 -13.230 314 HG12 ILE 60 HG12 ILE 60 7.967 16.735 -14.673 315 HG13 ILE 60 HG13 ILE 60 8.046 16.947 -12.935 316 HG21 ILE 60 HG21 ILE 60 6.785 18.448 -16.026 317 HG22 ILE 60 HG22 ILE 60 5.481 17.305 -15.638 318 HG23 ILE 60 HG23 ILE 60 5.218 19.027 -15.428 319 HD11 ILE 60 HD11 ILE 60 7.125 14.768 -13.345 320 HD12 ILE 60 HD12 ILE 60 5.831 15.791 -12.695 321 HD13 ILE 60 HD13 ILE 60 5.877 15.422 -14.428 322 H MET 61 H MET 61 5.333 20.355 -12.039 323 HA MET 61 HA MET 61 4.191 22.152 -13.940 324 HB2 MET 61 HB2 MET 61 3.042 21.025 -12.055 325 HB3 MET 61 HB3 MET 61 3.885 22.078 -10.922 326 HG2 MET 61 HG2 MET 61 1.561 22.802 -11.393 327 HG3 MET 61 HG3 MET 61 2.765 24.030 -11.744 328 HE1 MET 61 HE1 MET 61 0.368 21.302 -13.362 329 HE2 MET 61 HE2 MET 61 0.539 21.666 -15.092 330 HE3 MET 61 HE3 MET 61 1.900 20.956 -14.205 331 H VAL 62 H VAL 62 6.708 22.773 -11.458 332 HA VAL 62 HA VAL 62 6.722 25.673 -11.923 333 HB VAL 62 HB VAL 62 8.520 23.825 -10.403 334 HG11 VAL 62 HG11 VAL 62 9.593 25.868 -9.451 335 HG12 VAL 62 HG12 VAL 62 9.968 25.651 -11.159 336 HG13 VAL 62 HG13 VAL 62 8.750 26.852 -10.666 337 HG21 VAL 62 HG21 VAL 62 7.595 24.984 -8.444 338 HG22 VAL 62 HG22 VAL 62 6.644 26.054 -9.497 339 HG23 VAL 62 HG23 VAL 62 6.274 24.323 -9.414 340 H LYS 63 H LYS 63 8.917 22.976 -12.773 341 HA LYS 63 HA LYS 63 10.576 24.542 -14.558 342 HB2 LYS 63 HB2 LYS 63 10.579 21.870 -13.424 343 HB3 LYS 63 HB3 LYS 63 10.678 21.713 -15.147 344 HG2 LYS 63 HG2 LYS 63 12.883 21.790 -14.450 345 HG3 LYS 63 HG3 LYS 63 12.599 23.423 -15.074 346 HD2 LYS 63 HD2 LYS 63 12.144 24.176 -12.702 347 HD3 LYS 63 HD3 LYS 63 12.531 22.555 -12.132 348 HE2 LYS 63 HE2 LYS 63 14.425 24.429 -13.644 349 HE3 LYS 63 HE3 LYS 63 14.431 24.157 -11.901 350 HZ1 LYS 63 HZ1 LYS 63 15.079 22.098 -13.978 351 HZ2 LYS 63 HZ2 LYS 63 16.118 22.792 -12.932 352 HZ3 LYS 63 HZ3 LYS 63 14.959 21.780 -12.381 353 H GLN 64 H GLN 64 7.492 23.153 -14.980 354 HA GLN 64 HA GLN 64 6.020 23.059 -16.608 355 HB2 GLN 64 HB2 GLN 64 5.625 25.099 -17.830 356 HB3 GLN 64 HB3 GLN 64 6.007 25.347 -16.135 357 HG2 GLN 64 HG2 GLN 64 8.433 25.858 -16.945 358 HG3 GLN 64 HG3 GLN 64 7.726 25.988 -18.551 359 HE21 GLN 64 HE22 GLN 64 7.627 27.224 -15.169 360 HE22 GLN 64 HE21 GLN 64 6.966 28.802 -15.593 361 H LEU 65 H LEU 65 7.586 21.197 -17.124 362 HA LEU 65 HA LEU 65 8.799 21.368 -19.780 363 HB2 LEU 65 HB2 LEU 65 8.625 19.032 -17.829 364 HB3 LEU 65 HB3 LEU 65 9.645 19.111 -19.262 365 HG LEU 65 HG LEU 65 9.950 21.088 -17.019 366 HD11 LEU 65 HD11 LEU 65 10.214 18.858 -16.033 367 HD12 LEU 65 HD12 LEU 65 11.414 18.456 -17.272 368 HD13 LEU 65 HD13 LEU 65 11.758 19.730 -16.094 369 HD21 LEU 65 HD21 LEU 65 11.882 20.123 -19.158 370 HD22 LEU 65 HD22 LEU 65 11.037 21.689 -19.136 371 HD23 LEU 65 HD23 LEU 65 12.236 21.319 -17.890 372 H TYR 66 H TYR 66 5.652 20.966 -19.116 373 HA TYR 66 HA TYR 66 5.134 18.548 -20.720 374 HB2 TYR 66 HB2 TYR 66 2.785 18.909 -19.996 375 HB3 TYR 66 HB3 TYR 66 3.919 18.687 -18.677 376 HD1 TYR 66 HD2 TYR 66 1.950 21.239 -20.544 377 HD2 TYR 66 HD1 TYR 66 4.342 20.401 -17.072 378 HE1 TYR 66 HE2 TYR 66 1.336 23.462 -19.614 379 HE2 TYR 66 HE1 TYR 66 3.702 22.636 -16.104 380 HH TYR 66 HH TYR 66 1.583 24.932 -17.855 381 H ASP 67 H ASP 67 3.407 18.570 -22.378 382 HA ASP 67 HA ASP 67 4.026 20.677 -24.297 383 HB2 ASP 67 HB2 ASP 67 3.465 18.027 -24.612 384 HB3 ASP 67 HB3 ASP 67 1.895 18.726 -24.964 385 H GLN 68 H GLN 68 2.512 21.952 -25.458 386 HA GLN 68 HA GLN 68 0.617 23.274 -23.706 387 HB2 GLN 68 HB2 GLN 68 0.060 24.384 -26.098 388 HB3 GLN 68 HB3 GLN 68 1.292 24.920 -24.966 389 HG2 GLN 68 HG2 GLN 68 2.376 25.057 -26.967 390 HG3 GLN 68 HG3 GLN 68 2.967 23.515 -26.399 391 HE21 GLN 68 HE22 GLN 68 2.577 21.678 -27.819 392 HE22 GLN 68 HE21 GLN 68 1.656 21.880 -29.306 393 H GLN 69 H GLN 69 0.122 21.348 -26.694 394 HA GLN 69 HA GLN 69 -2.778 21.361 -26.369 395 HB2 GLN 69 HB2 GLN 69 -1.052 19.598 -28.144 396 HB3 GLN 69 HB3 GLN 69 -2.794 19.807 -28.241 397 HG2 GLN 69 HG2 GLN 69 -0.652 21.814 -28.930 398 HG3 GLN 69 HG3 GLN 69 -1.841 21.107 -29.997 399 HE21 GLN 69 HE22 GLN 69 -1.093 23.999 -28.817 400 HE22 GLN 69 HE21 GLN 69 -2.702 24.662 -28.530 401 H GLU 70 H GLU 70 -0.291 19.458 -24.923 402 HA GLU 70 HA GLU 70 -2.306 17.695 -23.693 403 HB2 GLU 70 HB2 GLU 70 -0.847 15.648 -24.269 404 HB3 GLU 70 HB3 GLU 70 -2.020 16.260 -25.421 405 HG2 GLU 70 HG2 GLU 70 -0.228 17.414 -26.698 406 HG3 GLU 70 HG3 GLU 70 0.970 16.784 -25.568 407 H GLN 71 H GLN 71 -1.805 18.879 -21.881 408 HA GLN 71 HA GLN 71 0.615 18.996 -20.449 409 HB2 GLN 71 HB2 GLN 71 -2.270 18.647 -19.515 410 HB3 GLN 71 HB3 GLN 71 -0.927 18.958 -18.433 411 HG2 GLN 71 HG2 GLN 71 -2.031 21.049 -18.814 412 HG3 GLN 71 HG3 GLN 71 -0.448 21.101 -19.568 413 HE21 GLN 71 HE22 GLN 71 -1.077 22.835 -21.008 414 HE22 GLN 71 HE21 GLN 71 -2.074 22.459 -22.406 415 H HIS 72 H HIS 72 -1.440 16.274 -21.077 416 HA HIS 72 HA HIS 72 -0.681 14.372 -19.170 417 HB2 HIS 72 HB2 HIS 72 -2.408 13.659 -20.520 418 HB3 HIS 72 HB3 HIS 72 -1.778 14.448 -21.952 419 HD2 HIS 72 HD2 HIS 72 -2.346 11.059 -20.687 420 HE1 HIS 72 HE1 HIS 72 0.550 10.619 -23.791 421 HE2 HIS 72 HE2 HIS 72 -1.101 9.378 -22.297 422 H MET 73 H MET 73 1.153 15.569 -21.948 423 HA MET 73 HA MET 73 3.238 13.480 -21.662 424 HB2 MET 73 HB2 MET 73 2.239 13.862 -23.885 425 HB3 MET 73 HB3 MET 73 2.714 15.564 -23.819 426 HG2 MET 73 HG2 MET 73 4.252 14.304 -25.200 427 HG3 MET 73 HG3 MET 73 5.087 14.924 -23.781 428 HE1 MET 73 HE1 MET 73 6.297 12.749 -25.723 429 HE2 MET 73 HE2 MET 73 7.111 13.395 -24.281 430 HE3 MET 73 HE3 MET 73 7.022 11.636 -24.540 431 H VAL 74 H VAL 74 5.276 13.925 -20.997 432 HA VAL 74 HA VAL 74 5.977 16.703 -20.103 433 HB VAL 74 HB VAL 74 6.359 14.095 -18.576 434 HG11 VAL 74 HG11 VAL 74 8.137 15.641 -18.041 435 HG12 VAL 74 HG12 VAL 74 6.992 16.997 -17.899 436 HG13 VAL 74 HG13 VAL 74 6.986 15.665 -16.718 437 HG21 VAL 74 HG21 VAL 74 4.740 15.059 -16.958 438 HG22 VAL 74 HG22 VAL 74 4.428 16.403 -18.082 439 HG23 VAL 74 HG23 VAL 74 3.987 14.738 -18.517 440 H TYR 75 H TYR 75 8.037 17.316 -20.560 441 HA TYR 75 HA TYR 75 10.022 15.368 -21.614 442 HB2 TYR 75 HB2 TYR 75 9.754 18.367 -21.948 443 HB3 TYR 75 HB3 TYR 75 11.106 17.409 -22.540 444 HD1 TYR 75 HD2 TYR 75 10.671 15.417 -24.033 445 HD2 TYR 75 HD1 TYR 75 7.696 18.442 -23.263 446 HE1 TYR 75 HE2 TYR 75 9.305 14.543 -25.898 447 HE2 TYR 75 HE1 TYR 75 6.352 17.612 -25.185 448 HH TYR 75 HH TYR 75 6.197 16.070 -26.892 449 H CYS 76 H CYS 76 12.352 16.022 -21.085 450 HA CYS 76 HA CYS 76 12.898 17.486 -18.584 451 HB2 CYS 76 HB2 CYS 76 12.693 14.546 -18.750 452 HB3 CYS 76 HB3 CYS 76 14.253 15.083 -18.110 453 HG CYS 76 HG CYS 76 11.252 16.130 -17.210 454 H GLY 77 H GLY 77 13.660 17.637 -21.503 455 HA2 GLY 77 HA2 GLY 77 16.129 16.556 -22.068 456 HA3 GLY 77 HA3 GLY 77 15.513 18.030 -22.812 457 H GLY 78 H GLY 78 18.026 16.725 -21.171 458 HA2 GLY 78 HA2 GLY 78 19.995 17.566 -20.408 459 HA3 GLY 78 HA3 GLY 78 19.437 19.195 -20.783 460 H ASP 79 H ASP 79 17.247 17.647 -18.478 461 HA ASP 79 HA ASP 79 18.498 19.369 -16.419 462 HB2 ASP 79 HB2 ASP 79 15.964 19.397 -17.273 463 HB3 ASP 79 HB3 ASP 79 15.792 18.185 -16.006 464 H LEU 80 H LEU 80 18.471 18.699 -14.204 465 HA LEU 80 HA LEU 80 19.779 16.160 -13.799 466 HB2 LEU 80 HB2 LEU 80 18.673 18.171 -11.815 467 HB3 LEU 80 HB3 LEU 80 19.642 16.754 -11.394 468 HG LEU 80 HG LEU 80 20.612 19.062 -13.118 469 HD11 LEU 80 HD11 LEU 80 21.290 18.251 -10.258 470 HD12 LEU 80 HD12 LEU 80 22.016 19.594 -11.170 471 HD13 LEU 80 HD13 LEU 80 20.300 19.647 -10.739 472 HD21 LEU 80 HD21 LEU 80 22.085 16.614 -12.052 473 HD22 LEU 80 HD22 LEU 80 21.793 17.014 -13.761 474 HD23 LEU 80 HD23 LEU 80 22.859 18.030 -12.794 475 H LEU 81 H LEU 81 16.401 17.110 -13.640 476 HA LEU 81 HA LEU 81 15.515 14.703 -12.298 477 HB2 LEU 81 HB2 LEU 81 14.106 16.709 -12.452 478 HB3 LEU 81 HB3 LEU 81 14.034 16.544 -14.212 479 HG LEU 81 HG LEU 81 12.815 14.407 -13.981 480 HD11 LEU 81 HD11 LEU 81 11.960 13.661 -11.778 481 HD12 LEU 81 HD12 LEU 81 13.711 13.529 -11.862 482 HD13 LEU 81 HD13 LEU 81 12.973 14.881 -10.970 483 HD21 LEU 81 HD21 LEU 81 11.544 16.574 -13.946 484 HD22 LEU 81 HD22 LEU 81 10.714 15.234 -13.138 485 HD23 LEU 81 HD23 LEU 81 11.534 16.476 -12.170 486 H GLY 82 H GLY 82 16.087 15.481 -15.777 487 HA2 GLY 82 HA2 GLY 82 15.309 12.881 -16.823 488 HA3 GLY 82 HA3 GLY 82 16.369 14.058 -17.601 489 H GLU 83 H GLU 83 18.500 14.205 -15.617 490 HA GLU 83 HA GLU 83 20.048 11.924 -16.112 491 HB2 GLU 83 HB2 GLU 83 20.812 14.228 -15.526 492 HB3 GLU 83 HB3 GLU 83 20.165 14.019 -13.886 493 HG2 GLU 83 HG2 GLU 83 21.586 12.125 -13.507 494 HG3 GLU 83 HG3 GLU 83 22.207 12.270 -15.171 495 H LEU 84 H LEU 84 18.061 12.813 -13.248 496 HA LEU 84 HA LEU 84 18.745 10.538 -11.719 497 HB2 LEU 84 HB2 LEU 84 17.939 12.565 -10.698 498 HB3 LEU 84 HB3 LEU 84 16.446 12.526 -11.628 499 HG LEU 84 HG LEU 84 15.625 10.602 -10.379 500 HD11 LEU 84 HD11 LEU 84 17.698 9.423 -9.796 501 HD12 LEU 84 HD12 LEU 84 18.223 10.788 -8.796 502 HD13 LEU 84 HD13 LEU 84 16.805 9.829 -8.328 503 HD21 LEU 84 HD21 LEU 84 15.185 12.882 -9.553 504 HD22 LEU 84 HD22 LEU 84 15.307 11.724 -8.221 505 HD23 LEU 84 HD23 LEU 84 16.663 12.819 -8.566 506 H LEU 85 H LEU 85 15.869 11.211 -13.734 507 HA LEU 85 HA LEU 85 14.566 8.658 -13.333 508 HB2 LEU 85 HB2 LEU 85 14.328 10.852 -15.440 509 HB3 LEU 85 HB3 LEU 85 13.280 9.458 -15.415 510 HG LEU 85 HG LEU 85 13.482 11.507 -13.161 511 HD11 LEU 85 HD11 LEU 85 11.272 12.236 -13.949 512 HD12 LEU 85 HD12 LEU 85 12.463 12.378 -15.253 513 HD13 LEU 85 HD13 LEU 85 11.311 11.026 -15.249 514 HD21 LEU 85 HD21 LEU 85 12.772 9.330 -12.271 515 HD22 LEU 85 HD22 LEU 85 11.435 10.481 -12.299 516 HD23 LEU 85 HD23 LEU 85 11.530 9.215 -13.541 517 H GLY 86 H GLY 86 17.100 9.695 -15.550 518 HA2 GLY 86 HA2 GLY 86 18.382 8.453 -17.028 519 HA3 GLY 86 HA3 GLY 86 17.417 7.008 -16.701 520 H ARG 87 H ARG 87 15.371 9.604 -17.372 521 HA ARG 87 HA ARG 87 15.281 9.253 -20.298 522 HB2 ARG 87 HB2 ARG 87 13.041 8.564 -18.336 523 HB3 ARG 87 HB3 ARG 87 12.668 9.114 -19.970 524 HG2 ARG 87 HG2 ARG 87 13.969 7.261 -20.937 525 HG3 ARG 87 HG3 ARG 87 14.385 6.683 -19.322 526 HD2 ARG 87 HD2 ARG 87 12.546 5.384 -20.354 527 HD3 ARG 87 HD3 ARG 87 12.093 6.141 -18.823 528 HE ARG 87 HE ARG 87 11.350 7.890 -20.959 529 HH11 ARG 87 HH11 ARG 87 10.217 4.735 -19.781 530 HH12 ARG 87 HH12 ARG 87 8.555 5.200 -20.180 531 HH21 ARG 87 HH21 ARG 87 9.229 8.256 -21.341 532 HH22 ARG 87 HH22 ARG 87 8.057 6.947 -21.027 533 H GLN 88 H GLN 88 14.611 10.884 -21.460 534 HA GLN 88 HA GLN 88 14.122 13.443 -20.029 535 HB2 GLN 88 HB2 GLN 88 15.176 12.976 -22.826 536 HB3 GLN 88 HB3 GLN 88 14.957 14.547 -22.021 537 HG2 GLN 88 HG2 GLN 88 16.536 13.912 -20.251 538 HG3 GLN 88 HG3 GLN 88 16.768 12.319 -20.981 539 HE21 GLN 88 HE22 GLN 88 17.708 12.278 -23.284 540 HE22 GLN 88 HE21 GLN 88 18.851 13.558 -23.664 541 H SER 89 H SER 89 12.161 11.195 -21.240 542 HA SER 89 HA SER 89 10.021 13.129 -21.289 543 HB2 SER 89 HB2 SER 89 8.993 12.512 -23.391 544 HB3 SER 89 HB3 SER 89 10.595 13.200 -23.657 545 HG SER 89 HG SER 89 10.312 11.319 -24.936 546 H PHE 90 H PHE 90 8.046 12.326 -20.741 547 HA PHE 90 HA PHE 90 7.352 9.517 -20.559 548 HB2 PHE 90 HB2 PHE 90 7.211 9.415 -18.111 549 HB3 PHE 90 HB3 PHE 90 8.856 9.574 -18.659 550 HD1 PHE 90 HD2 PHE 90 10.148 11.657 -18.267 551 HD2 PHE 90 HD1 PHE 90 6.139 11.150 -16.752 552 HE1 PHE 90 HE2 PHE 90 10.511 13.522 -16.675 553 HE2 PHE 90 HE1 PHE 90 6.515 13.008 -15.154 554 HZ PHE 90 HZ PHE 90 8.713 14.183 -15.098 555 H SER 91 H SER 91 5.174 9.446 -19.057 556 HA SER 91 HA SER 91 3.623 11.949 -19.415 557 HB2 SER 91 HB2 SER 91 1.927 10.965 -20.733 558 HB3 SER 91 HB3 SER 91 3.443 10.489 -21.509 559 HG SER 91 HG SER 91 2.248 8.633 -21.328 560 H VAL 92 H VAL 92 1.409 11.775 -18.504 561 HA VAL 92 HA VAL 92 1.316 10.651 -15.863 562 HB VAL 92 HB VAL 92 0.040 12.613 -16.628 563 HG11 VAL 92 HG11 VAL 92 -1.828 10.648 -18.018 564 HG12 VAL 92 HG12 VAL 92 -2.047 12.401 -17.852 565 HG13 VAL 92 HG13 VAL 92 -0.717 11.773 -18.833 566 HG21 VAL 92 HG21 VAL 92 -0.637 11.420 -14.569 567 HG22 VAL 92 HG22 VAL 92 -1.983 12.231 -15.380 568 HG23 VAL 92 HG23 VAL 92 -1.810 10.475 -15.511 569 H LYS 93 H LYS 93 0.780 9.124 -18.934 570 HA LYS 93 HA LYS 93 -0.516 6.740 -17.679 571 HB2 LYS 93 HB2 LYS 93 0.026 7.393 -20.600 572 HB3 LYS 93 HB3 LYS 93 -0.797 5.958 -20.013 573 HG2 LYS 93 HG2 LYS 93 -1.770 8.833 -19.778 574 HG3 LYS 93 HG3 LYS 93 -2.400 7.595 -20.852 575 HD2 LYS 93 HD2 LYS 93 -2.615 7.614 -17.809 576 HD3 LYS 93 HD3 LYS 93 -3.895 7.978 -18.966 577 HE2 LYS 93 HE2 LYS 93 -3.722 5.661 -19.886 578 HE3 LYS 93 HE3 LYS 93 -2.490 5.281 -18.676 579 HZ1 LYS 93 HZ1 LYS 93 -5.294 6.075 -18.064 580 HZ2 LYS 93 HZ2 LYS 93 -4.694 4.565 -17.946 581 HZ3 LYS 93 HZ3 LYS 93 -4.157 5.731 -16.940 582 H ASP 94 H ASP 94 2.597 7.852 -18.416 583 HA ASP 94 HA ASP 94 3.712 5.103 -18.100 584 HB2 ASP 94 HB2 ASP 94 3.760 5.830 -20.471 585 HB3 ASP 94 HB3 ASP 94 4.699 7.250 -20.012 586 HA PRO 95 HA PRO 95 5.721 8.026 -15.025 587 HB2 PRO 95 HB2 PRO 95 4.818 7.036 -12.665 588 HB3 PRO 95 HB3 PRO 95 3.834 8.137 -13.673 589 HG2 PRO 95 HG2 PRO 95 3.726 5.093 -13.611 590 HG3 PRO 95 HG3 PRO 95 2.362 6.243 -13.419 591 HD2 PRO 95 HD2 PRO 95 2.962 5.112 -15.827 592 HD3 PRO 95 HD3 PRO 95 2.390 6.804 -15.700 593 H SER 96 H SER 96 5.920 4.817 -15.951 594 HA SER 96 HA SER 96 7.296 3.310 -14.213 595 HB2 SER 96 HB2 SER 96 7.913 3.606 -17.168 596 HB3 SER 96 HB3 SER 96 8.347 2.216 -16.148 597 HG SER 96 HG SER 96 6.322 1.980 -17.334 598 HA PRO 97 HA PRO 97 11.673 5.042 -15.086 599 HB2 PRO 97 HB2 PRO 97 11.934 7.782 -15.431 600 HB3 PRO 97 HB3 PRO 97 11.989 6.554 -16.716 601 HG2 PRO 97 HG2 PRO 97 9.641 8.247 -15.820 602 HG3 PRO 97 HG3 PRO 97 10.178 7.887 -17.495 603 HD2 PRO 97 HD2 PRO 97 8.145 6.554 -16.394 604 HD3 PRO 97 HD3 PRO 97 9.334 5.673 -17.380 605 H LEU 98 H LEU 98 9.174 6.843 -13.266 606 HA LEU 98 HA LEU 98 10.981 7.673 -11.113 607 HB2 LEU 98 HB2 LEU 98 7.954 7.224 -11.211 608 HB3 LEU 98 HB3 LEU 98 8.831 7.644 -9.755 609 HG LEU 98 HG LEU 98 9.656 9.739 -10.909 610 HD11 LEU 98 HD11 LEU 98 7.420 9.048 -12.872 611 HD12 LEU 98 HD12 LEU 98 8.246 10.617 -12.753 612 HD13 LEU 98 HD13 LEU 98 9.144 9.199 -13.275 613 HD21 LEU 98 HD21 LEU 98 7.858 9.703 -9.220 614 HD22 LEU 98 HD22 LEU 98 7.545 10.926 -10.458 615 HD23 LEU 98 HD23 LEU 98 6.658 9.387 -10.496 616 H TYR 99 H TYR 99 8.826 4.868 -11.676 617 HA TYR 99 HA TYR 99 9.559 3.512 -9.273 618 HB2 TYR 99 HB2 TYR 99 8.431 2.460 -11.905 619 HB3 TYR 99 HB3 TYR 99 8.624 1.500 -10.453 620 HD1 TYR 99 HD2 TYR 99 7.249 1.869 -8.453 621 HD2 TYR 99 HD1 TYR 99 6.626 4.154 -12.060 622 HE1 TYR 99 HE2 TYR 99 5.012 2.589 -7.617 623 HE2 TYR 99 HE1 TYR 99 4.408 4.884 -11.218 624 HH TYR 99 HH TYR 99 2.862 4.745 -9.512 625 H ASP 100 H ASP 100 11.045 3.456 -12.545 626 HA ASP 100 HA ASP 100 12.960 1.442 -11.893 627 HB2 ASP 100 HB2 ASP 100 12.322 2.359 -14.182 628 HB3 ASP 100 HB3 ASP 100 13.413 3.698 -13.857 629 H MET 101 H MET 101 12.966 4.924 -11.348 630 HA MET 101 HA MET 101 15.651 5.167 -10.307 631 HB2 MET 101 HB2 MET 101 14.883 7.219 -10.862 632 HB3 MET 101 HB3 MET 101 13.201 6.789 -10.636 633 HG2 MET 101 HG2 MET 101 13.532 6.980 -8.170 634 HG3 MET 101 HG3 MET 101 15.108 7.711 -8.510 635 HE1 MET 101 HE1 MET 101 11.219 7.920 -8.725 636 HE2 MET 101 HE2 MET 101 11.839 8.642 -7.224 637 HE3 MET 101 HE3 MET 101 11.009 9.662 -8.411 638 H LEU 102 H LEU 102 12.525 4.259 -8.867 639 HA LEU 102 HA LEU 102 13.583 4.250 -6.142 640 HB2 LEU 102 HB2 LEU 102 10.874 3.638 -7.372 641 HB3 LEU 102 HB3 LEU 102 11.173 3.566 -5.639 642 HG LEU 102 HG LEU 102 11.790 6.092 -7.213 643 HD11 LEU 102 HD11 LEU 102 9.564 6.927 -6.523 644 HD12 LEU 102 HD12 LEU 102 9.457 5.577 -7.661 645 HD13 LEU 102 HD13 LEU 102 9.167 5.289 -5.942 646 HD21 LEU 102 HD21 LEU 102 11.613 7.185 -5.082 647 HD22 LEU 102 HD22 LEU 102 11.018 5.706 -4.296 648 HD23 LEU 102 HD23 LEU 102 12.698 5.817 -4.869 649 H ARG 103 H ARG 103 12.630 1.666 -8.435 650 HA ARG 103 HA ARG 103 12.780 -0.548 -6.700 651 HB2 ARG 103 HB2 ARG 103 13.084 -1.912 -8.686 652 HB3 ARG 103 HB3 ARG 103 11.898 -0.639 -8.946 653 HG2 ARG 103 HG2 ARG 103 12.969 -0.569 -10.929 654 HG3 ARG 103 HG3 ARG 103 13.831 0.672 -10.037 655 HD2 ARG 103 HD2 ARG 103 15.448 -0.512 -11.292 656 HD3 ARG 103 HD3 ARG 103 15.687 -1.010 -9.632 657 HE ARG 103 HE ARG 103 14.936 -3.168 -10.134 658 HH11 ARG 103 HH11 ARG 103 14.464 -1.173 -13.054 659 HH12 ARG 103 HH12 ARG 103 14.186 -2.595 -14.014 660 HH21 ARG 103 HH21 ARG 103 14.557 -4.870 -11.480 661 HH22 ARG 103 HH22 ARG 103 14.236 -4.604 -13.167 662 H LYS 104 H LYS 104 15.346 1.240 -8.080 663 HA LYS 104 HA LYS 104 17.619 -0.399 -7.418 664 HB2 LYS 104 HB2 LYS 104 17.595 1.452 -9.042 665 HB3 LYS 104 HB3 LYS 104 17.290 2.615 -7.742 666 HG2 LYS 104 HG2 LYS 104 19.486 2.247 -6.795 667 HG3 LYS 104 HG3 LYS 104 19.770 0.853 -7.850 668 HD2 LYS 104 HD2 LYS 104 21.003 2.844 -8.597 669 HD3 LYS 104 HD3 LYS 104 19.859 2.276 -9.820 670 HE2 LYS 104 HE2 LYS 104 18.264 4.053 -9.226 671 HE3 LYS 104 HE3 LYS 104 19.294 4.570 -7.883 672 HZ1 LYS 104 HZ1 LYS 104 20.071 4.686 -10.760 673 HZ2 LYS 104 HZ2 LYS 104 19.636 5.971 -9.851 674 HZ3 LYS 104 HZ3 LYS 104 21.015 5.168 -9.517 675 H ASN 105 H ASN 105 15.635 1.751 -5.437 676 HA ASN 105 HA ASN 105 17.563 1.490 -3.145 677 HB2 ASN 105 HB2 ASN 105 15.444 3.526 -3.815 678 HB3 ASN 105 HB3 ASN 105 16.264 3.412 -2.246 679 HD21 ASN 105 HD22 ASN 105 18.619 3.763 -2.160 680 HD22 ASN 105 HD21 ASN 105 19.377 4.676 -3.452 681 H LEU 106 H LEU 106 13.992 1.265 -3.721 682 HA LEU 106 HA LEU 106 13.879 -0.724 -1.500 683 HB2 LEU 106 HB2 LEU 106 11.677 0.007 -0.923 684 HB3 LEU 106 HB3 LEU 106 12.824 1.307 -0.698 685 HG LEU 106 HG LEU 106 11.152 1.196 -3.241 686 HD11 LEU 106 HD11 LEU 106 9.560 0.935 -1.402 687 HD12 LEU 106 HD12 LEU 106 10.265 2.328 -0.563 688 HD13 LEU 106 HD13 LEU 106 9.433 2.545 -2.121 689 HD21 LEU 106 HD21 LEU 106 12.884 2.937 -3.193 690 HD22 LEU 106 HD22 LEU 106 11.292 3.673 -3.040 691 HD23 LEU 106 HD23 LEU 106 12.321 3.492 -1.604 692 H VAL 107 H VAL 107 12.591 -2.550 -1.805 693 HA VAL 107 HA VAL 107 12.306 -3.300 -4.620 694 HB VAL 107 HB VAL 107 11.760 -5.053 -2.206 695 HG11 VAL 107 HG11 VAL 107 12.287 -6.874 -3.807 696 HG12 VAL 107 HG12 VAL 107 10.902 -5.949 -4.380 697 HG13 VAL 107 HG13 VAL 107 12.499 -5.688 -5.111 698 HG21 VAL 107 HG21 VAL 107 14.349 -4.601 -3.759 699 HG22 VAL 107 HG22 VAL 107 14.071 -4.234 -2.043 700 HG23 VAL 107 HG23 VAL 107 14.073 -5.908 -2.587 701 H THR 108 H THR 108 10.696 -1.556 -4.831 702 HA THR 108 HA THR 108 7.941 -2.322 -4.096 703 HB THR 108 HB THR 108 9.321 -0.045 -3.894 704 HG1 THR 108 HG1 THR 108 7.323 0.932 -3.413 705 HG21 THR 108 HG21 THR 108 9.363 0.445 -6.322 706 HG22 THR 108 HG22 THR 108 7.593 0.599 -6.302 707 HG23 THR 108 HG23 THR 108 8.595 1.716 -5.359 708 H LEU 109 H LEU 109 9.743 -2.698 -6.440 709 HA LEU 109 HA LEU 109 9.812 -2.828 -8.830 710 HB2 LEU 109 HB2 LEU 109 7.400 -4.312 -7.851 711 HB3 LEU 109 HB3 LEU 109 7.953 -4.467 -9.535 712 HG LEU 109 HG LEU 109 9.564 -5.220 -7.056 713 HD11 LEU 109 HD11 LEU 109 7.639 -6.712 -7.462 714 HD12 LEU 109 HD12 LEU 109 8.177 -6.960 -9.138 715 HD13 LEU 109 HD13 LEU 109 9.174 -7.533 -7.782 716 HD21 LEU 109 HD21 LEU 109 11.079 -4.604 -8.892 717 HD22 LEU 109 HD22 LEU 109 11.068 -6.355 -8.689 718 HD23 LEU 109 HD23 LEU 109 10.156 -5.620 -10.025 719 H ALA 110 H ALA 110 6.908 -3.038 -10.133 720 HA ALA 110 HA ALA 110 6.074 -0.238 -9.941 721 HB1 ALA 110 HB1 ALA 110 6.816 -1.422 -12.639 722 HB2 ALA 110 HB2 ALA 110 6.188 0.211 -12.311 723 HB3 ALA 110 HB3 ALA 110 7.809 -0.245 -11.739 724 H THR 111 H THR 111 4.122 0.188 -11.386 725 HA THR 111 HA THR 111 2.292 -2.105 -11.702 726 HB THR 111 HB THR 111 2.465 -1.570 -9.299 727 HG1 THR 111 HG1 THR 111 -0.152 -1.010 -10.259 728 HG21 THR 111 HG21 THR 111 2.638 0.880 -9.325 729 HG22 THR 111 HG22 THR 111 0.975 1.012 -9.938 730 HG23 THR 111 HG23 THR 111 1.285 0.330 -8.328 731 HD1 49H 200 HD1 49H 200 1.633 14.710 -13.113 732 HD2 49H 200 HD2 49H 200 2.226 13.125 -9.147 733 HD3 49H 200 HD3 49H 200 0.473 12.013 -12.609 734 HD4 49H 200 HD4 49H 200 -1.219 11.665 -8.669 735 HD5 49H 200 HD5 49H 200 -3.023 14.090 -13.846 736 HE1 49H 200 HE1 49H 200 3.800 13.765 -13.809 737 HE2 49H 200 HE2 49H 200 4.380 12.158 -9.871 738 HE4 49H 200 HE4 49H 200 -0.815 9.228 -8.713 739 HE5 49H 200 HE5 49H 200 -3.637 14.700 -16.110 740 HE6 49H 200 HE6 49H 200 -0.447 17.539 -16.261 741 HZ2 49H 200 HZ2 49H 200 0.254 8.178 -10.697 742 HM11 49H 200 HM11 49H 200 -3.497 15.003 -18.443 743 HM12 49H 200 HM12 49H 200 -4.459 16.351 -17.759 744 HM13 49H 200 HM13 49H 200 -3.598 16.559 -19.308 745 HM21 49H 200 HM21 49H 200 2.791 15.879 -14.973 746 HM22 49H 200 HM22 49H 200 1.614 16.237 -16.243 747 HM23 49H 200 HM23 49H 200 3.070 17.216 -16.098 748 HM31 49H 200 HM31 49H 200 3.345 18.800 -13.993 749 HM32 49H 200 HM32 49H 200 2.051 18.823 -12.797 750 HM33 49H 200 HM33 49H 200 3.047 17.375 -12.980 751 HN1 49H 200 HN1 49H 200 -3.461 20.766 -11.133 752 H21 49H 200 H21 49H 200 -3.312 18.421 -9.830 753 H22 49H 200 H22 49H 200 -4.206 18.530 -11.359 754 H31 49H 200 H31 49H 200 -2.557 16.659 -11.217 755 H32 49H 200 H32 49H 200 -2.326 17.728 -12.621 756 H41 49H 200 H41 49H 200 0.390 19.590 -11.511 757 H42 49H 200 H42 49H 200 -0.105 19.349 -9.826 758 H7 49H 200 H7 49H 200 -1.412 13.716 -9.797 759 H8 49H 200 H8 49H 200 0.515 14.860 -9.566 760 H9 49H 200 H9 49H 200 1.161 18.499 -15.130 Start of MODEL 19 1 H1 GLN 23 H GLN 23 16.012 4.023 11.547 2 HA GLN 23 HA GLN 23 16.141 5.812 9.230 3 HB2 GLN 23 HB2 GLN 23 18.281 4.581 9.150 4 HB3 GLN 23 HB3 GLN 23 17.408 3.041 9.137 5 HG2 GLN 23 HG2 GLN 23 16.394 3.618 6.962 6 HG3 GLN 23 HG3 GLN 23 17.175 5.203 6.992 7 HE21 GLN 23 HE22 GLN 23 17.658 3.829 4.754 8 HE22 GLN 23 HE21 GLN 23 19.261 3.105 4.785 9 H ILE 24 H ILE 24 14.476 5.504 7.776 10 HA ILE 24 HA ILE 24 12.368 3.514 8.458 11 HB ILE 24 HB ILE 24 10.992 4.922 6.906 12 HG12 ILE 24 HG12 ILE 24 13.278 6.940 7.181 13 HG13 ILE 24 HG13 ILE 24 12.767 6.136 5.701 14 HG21 ILE 24 HG21 ILE 24 11.974 6.326 9.406 15 HG22 ILE 24 HG22 ILE 24 10.389 6.505 8.604 16 HG23 ILE 24 HG23 ILE 24 10.819 4.968 9.355 17 HD11 ILE 24 HD11 ILE 24 10.481 7.309 6.050 18 HD12 ILE 24 HD12 ILE 24 11.301 8.271 7.291 19 HD13 ILE 24 HD13 ILE 24 11.858 8.338 5.613 20 H ASN 25 H ASN 25 11.068 2.709 6.667 21 HA ASN 25 HA ASN 25 12.773 1.185 4.946 22 HB2 ASN 25 HB2 ASN 25 9.741 1.179 5.102 23 HB3 ASN 25 HB3 ASN 25 10.785 -0.128 4.529 24 HD21 ASN 25 HD22 ASN 25 12.598 -0.664 6.433 25 HD22 ASN 25 HD21 ASN 25 11.862 -0.832 8.017 26 H GLN 26 H GLN 26 12.962 3.769 4.178 27 HA GLN 26 HA GLN 26 11.597 4.120 1.539 28 HB2 GLN 26 HB2 GLN 26 12.089 6.439 3.409 29 HB3 GLN 26 HB3 GLN 26 10.988 6.301 2.044 30 HG2 GLN 26 HG2 GLN 26 10.677 5.072 4.782 31 HG3 GLN 26 HG3 GLN 26 9.718 6.377 4.126 32 HE21 GLN 26 HE22 GLN 26 8.697 3.835 5.196 33 HE22 GLN 26 HE21 GLN 26 8.002 2.955 3.847 34 H VAL 27 H VAL 27 12.565 6.361 0.667 35 HA VAL 27 HA VAL 27 15.386 5.713 0.032 36 HB VAL 27 HB VAL 27 13.619 7.784 -1.282 37 HG11 VAL 27 HG11 VAL 27 15.795 8.182 -2.078 38 HG12 VAL 27 HG12 VAL 27 16.153 6.442 -2.231 39 HG13 VAL 27 HG13 VAL 27 15.025 7.250 -3.331 40 HG21 VAL 27 HG21 VAL 27 13.896 4.844 -2.006 41 HG22 VAL 27 HG22 VAL 27 12.405 5.690 -1.526 42 HG23 VAL 27 HG23 VAL 27 13.154 6.067 -3.066 43 H ARG 28 H ARG 28 16.654 7.737 -0.448 44 HA ARG 28 HA ARG 28 16.352 10.187 0.831 45 HB2 ARG 28 HB2 ARG 28 17.039 9.067 2.927 46 HB3 ARG 28 HB3 ARG 28 18.470 8.392 2.141 47 HG2 ARG 28 HG2 ARG 28 19.414 10.655 1.829 48 HG3 ARG 28 HG3 ARG 28 17.919 11.381 2.423 49 HD2 ARG 28 HD2 ARG 28 19.586 11.556 4.085 50 HD3 ARG 28 HD3 ARG 28 18.323 10.435 4.641 51 HE ARG 28 HE ARG 28 20.558 9.068 3.352 52 HH11 ARG 28 HH11 ARG 28 19.606 10.422 6.444 53 HH12 ARG 28 HH12 ARG 28 20.677 9.374 7.334 54 HH21 ARG 28 HH21 ARG 28 21.891 7.754 4.552 55 HH22 ARG 28 HH22 ARG 28 21.941 7.912 6.282 56 HA PRO 29 HA PRO 29 19.485 10.455 -2.466 57 HB2 PRO 29 HB2 PRO 29 19.160 13.038 -3.157 58 HB3 PRO 29 HB3 PRO 29 17.816 11.864 -3.292 59 HG2 PRO 29 HG2 PRO 29 18.260 13.964 -1.164 60 HG3 PRO 29 HG3 PRO 29 16.757 13.437 -1.929 61 HD2 PRO 29 HD2 PRO 29 17.904 12.552 0.534 62 HD3 PRO 29 HD3 PRO 29 16.505 11.832 -0.307 63 H LYS 30 H LYS 30 21.446 11.510 -3.113 64 HA LYS 30 HA LYS 30 23.176 12.578 -0.954 65 HB2 LYS 30 HB2 LYS 30 23.883 10.886 -2.773 66 HB3 LYS 30 HB3 LYS 30 23.826 12.233 -3.914 67 HG2 LYS 30 HG2 LYS 30 25.519 13.429 -2.402 68 HG3 LYS 30 HG3 LYS 30 25.597 11.951 -1.438 69 HD2 LYS 30 HD2 LYS 30 26.400 10.700 -3.411 70 HD3 LYS 30 HD3 LYS 30 26.232 12.157 -4.420 71 HE2 LYS 30 HE2 LYS 30 27.878 13.347 -2.993 72 HE3 LYS 30 HE3 LYS 30 28.036 11.919 -1.964 73 HZ1 LYS 30 HZ1 LYS 30 29.826 12.021 -3.605 74 HZ2 LYS 30 HZ2 LYS 30 28.914 10.701 -3.892 75 HZ3 LYS 30 HZ3 LYS 30 28.772 12.020 -4.849 76 H LEU 31 H LEU 31 24.250 14.713 -1.249 77 HA LEU 31 HA LEU 31 22.640 16.858 -1.412 78 HB2 LEU 31 HB2 LEU 31 24.852 16.847 -0.483 79 HB3 LEU 31 HB3 LEU 31 25.592 16.602 -2.060 80 HG LEU 31 HG LEU 31 24.868 18.835 -2.775 81 HD11 LEU 31 HD11 LEU 31 23.831 19.140 0.080 82 HD12 LEU 31 HD12 LEU 31 24.020 20.467 -1.086 83 HD13 LEU 31 HD13 LEU 31 22.850 19.184 -1.403 84 HD21 LEU 31 HD21 LEU 31 26.405 20.124 -1.347 85 HD22 LEU 31 HD22 LEU 31 26.357 18.838 -0.119 86 HD23 LEU 31 HD23 LEU 31 27.071 18.525 -1.718 87 HA PRO 32 HA PRO 32 23.312 18.010 -6.002 88 HB2 PRO 32 HB2 PRO 32 24.129 16.176 -7.855 89 HB3 PRO 32 HB3 PRO 32 25.243 17.193 -6.891 90 HG2 PRO 32 HG2 PRO 32 24.381 14.342 -6.304 91 HG3 PRO 32 HG3 PRO 32 26.051 14.997 -6.378 92 HD2 PRO 32 HD2 PRO 32 24.783 14.750 -4.032 93 HD3 PRO 32 HD3 PRO 32 25.763 16.207 -4.359 94 H LEU 33 H LEU 33 22.008 14.872 -5.150 95 HA LEU 33 HA LEU 33 19.817 15.117 -7.131 96 HB2 LEU 33 HB2 LEU 33 20.384 12.990 -5.046 97 HB3 LEU 33 HB3 LEU 33 19.122 12.935 -6.275 98 HG LEU 33 HG LEU 33 22.136 12.846 -6.717 99 HD11 LEU 33 HD11 LEU 33 21.668 10.604 -7.592 100 HD12 LEU 33 HD12 LEU 33 21.100 10.758 -5.923 101 HD13 LEU 33 HD13 LEU 33 19.934 10.817 -7.263 102 HD21 LEU 33 HD21 LEU 33 19.909 12.947 -8.791 103 HD22 LEU 33 HD22 LEU 33 21.256 14.089 -8.594 104 HD23 LEU 33 HD23 LEU 33 21.579 12.442 -9.130 105 H LEU 34 H LEU 34 20.347 15.494 -3.670 106 HA LEU 34 HA LEU 34 17.664 15.958 -2.791 107 HB2 LEU 34 HB2 LEU 34 19.742 15.483 -1.438 108 HB3 LEU 34 HB3 LEU 34 20.377 17.039 -1.846 109 HG LEU 34 HG LEU 34 17.713 17.034 -0.423 110 HD11 LEU 34 HD11 LEU 34 18.850 16.816 1.755 111 HD12 LEU 34 HD12 LEU 34 19.020 15.328 0.815 112 HD13 LEU 34 HD13 LEU 34 20.387 16.457 0.935 113 HD21 LEU 34 HD21 LEU 34 20.273 18.700 -0.233 114 HD22 LEU 34 HD22 LEU 34 18.757 19.179 -1.031 115 HD23 LEU 34 HD23 LEU 34 18.809 18.960 0.722 116 H LYS 35 H LYS 35 20.064 18.215 -4.233 117 HA LYS 35 HA LYS 35 18.435 20.511 -3.678 118 HB2 LYS 35 HB2 LYS 35 19.894 21.856 -4.801 119 HB3 LYS 35 HB3 LYS 35 20.649 20.734 -3.678 120 HG2 LYS 35 HG2 LYS 35 21.191 19.294 -5.816 121 HG3 LYS 35 HG3 LYS 35 20.797 20.792 -6.712 122 HD2 LYS 35 HD2 LYS 35 22.267 21.996 -4.995 123 HD3 LYS 35 HD3 LYS 35 22.773 20.397 -4.435 124 HE2 LYS 35 HE2 LYS 35 23.692 19.901 -6.726 125 HE3 LYS 35 HE3 LYS 35 23.092 21.455 -7.306 126 HZ1 LYS 35 HZ1 LYS 35 25.194 21.138 -5.217 127 HZ2 LYS 35 HZ2 LYS 35 25.456 21.581 -6.765 128 HZ3 LYS 35 HZ3 LYS 35 24.626 22.567 -5.771 129 H ILE 36 H ILE 36 18.358 18.272 -6.298 130 HA ILE 36 HA ILE 36 16.795 19.698 -8.234 131 HB ILE 36 HB ILE 36 16.546 16.732 -7.566 132 HG12 ILE 36 HG12 ILE 36 18.569 18.038 -9.426 133 HG13 ILE 36 HG13 ILE 36 18.942 17.359 -7.851 134 HG21 ILE 36 HG21 ILE 36 15.889 16.498 -9.918 135 HG22 ILE 36 HG22 ILE 36 14.842 17.667 -9.132 136 HG23 ILE 36 HG23 ILE 36 16.153 18.232 -10.190 137 HD11 ILE 36 HD11 ILE 36 18.007 15.772 -10.248 138 HD12 ILE 36 HD12 ILE 36 19.586 15.744 -9.434 139 HD13 ILE 36 HD13 ILE 36 18.147 15.125 -8.597 140 H LEU 37 H LEU 37 15.800 17.565 -5.488 141 HA LEU 37 HA LEU 37 13.057 18.434 -5.765 142 HB2 LEU 37 HB2 LEU 37 14.507 16.435 -4.077 143 HB3 LEU 37 HB3 LEU 37 13.191 17.160 -3.307 144 HG LEU 37 HG LEU 37 12.098 15.386 -4.221 145 HD11 LEU 37 HD11 LEU 37 10.744 15.815 -6.078 146 HD12 LEU 37 HD12 LEU 37 11.037 17.403 -5.336 147 HD13 LEU 37 HD13 LEU 37 11.904 16.930 -6.811 148 HD21 LEU 37 HD21 LEU 37 12.653 14.215 -6.254 149 HD22 LEU 37 HD22 LEU 37 13.836 15.474 -6.709 150 HD23 LEU 37 HD23 LEU 37 14.111 14.448 -5.283 151 H HIS 38 H HIS 38 15.701 19.735 -3.779 152 HA HIS 38 HA HIS 38 14.003 21.554 -2.293 153 HB2 HIS 38 HB2 HIS 38 16.874 21.793 -3.242 154 HB3 HIS 38 HB3 HIS 38 16.056 23.095 -2.430 155 HD2 HIS 38 HD2 HIS 38 14.977 19.901 -0.818 156 HE1 HIS 38 HE1 HIS 38 18.019 21.572 1.669 157 HE2 HIS 38 HE2 HIS 38 16.173 19.838 1.546 158 H ALA 39 H ALA 39 15.247 21.799 -5.688 159 HA ALA 39 HA ALA 39 14.269 24.399 -6.150 160 HB1 ALA 39 HB1 ALA 39 14.229 22.139 -8.180 161 HB2 ALA 39 HB2 ALA 39 14.332 23.861 -8.517 162 HB3 ALA 39 HB3 ALA 39 15.699 23.043 -7.729 163 H ALA 40 H ALA 40 12.422 21.514 -5.624 164 HA ALA 40 HA ALA 40 9.890 22.824 -6.448 165 HB1 ALA 40 HB1 ALA 40 8.966 20.532 -6.433 166 HB2 ALA 40 HB2 ALA 40 10.349 20.710 -7.508 167 HB3 ALA 40 HB3 ALA 40 10.549 19.897 -5.937 168 H GLY 41 H GLY 41 11.538 23.223 -3.835 169 HA2 GLY 41 HA2 GLY 41 10.961 23.881 -1.724 170 HA3 GLY 41 HA3 GLY 41 9.264 23.622 -2.132 171 H ALA 42 H ALA 42 11.284 20.808 -2.472 172 HA ALA 42 HA ALA 42 9.854 19.461 -0.311 173 HB1 ALA 42 HB1 ALA 42 10.666 17.484 -1.430 174 HB2 ALA 42 HB2 ALA 42 10.238 18.645 -2.706 175 HB3 ALA 42 HB3 ALA 42 11.934 18.428 -2.237 176 H GLN 43 H GLN 43 11.641 17.523 0.394 177 HA GLN 43 HA GLN 43 14.212 18.684 1.315 178 HB2 GLN 43 HB2 GLN 43 14.030 17.705 3.528 179 HB3 GLN 43 HB3 GLN 43 12.842 18.966 3.225 180 HG2 GLN 43 HG2 GLN 43 11.096 17.179 2.841 181 HG3 GLN 43 HG3 GLN 43 12.294 15.971 3.329 182 HE21 GLN 43 HE22 GLN 43 13.219 16.197 5.598 183 HE22 GLN 43 HE21 GLN 43 12.170 16.912 6.814 184 H GLY 44 H GLY 44 14.400 17.542 -0.823 185 HA2 GLY 44 HA2 GLY 44 15.636 15.984 -1.950 186 HA3 GLY 44 HA3 GLY 44 16.008 15.203 -0.412 187 H GLU 45 H GLU 45 15.261 13.225 -0.233 188 HA GLU 45 HA GLU 45 12.750 12.251 -1.439 189 HB2 GLU 45 HB2 GLU 45 15.428 10.978 -2.125 190 HB3 GLU 45 HB3 GLU 45 13.842 10.299 -2.479 191 HG2 GLU 45 HG2 GLU 45 13.331 12.348 -3.855 192 HG3 GLU 45 HG3 GLU 45 15.027 12.818 -3.666 193 H MET 46 H MET 46 14.047 12.743 1.238 194 HA MET 46 HA MET 46 14.567 10.160 2.432 195 HB2 MET 46 HB2 MET 46 15.788 12.123 2.900 196 HB3 MET 46 HB3 MET 46 14.362 12.860 3.673 197 HG2 MET 46 HG2 MET 46 14.436 11.064 5.412 198 HG3 MET 46 HG3 MET 46 15.775 10.303 4.562 199 HE1 MET 46 HE1 MET 46 14.548 13.213 6.840 200 HE2 MET 46 HE2 MET 46 15.983 14.248 7.002 201 HE3 MET 46 HE3 MET 46 15.110 14.186 5.458 202 H PHE 47 H PHE 47 12.272 9.727 1.423 203 HA PHE 47 HA PHE 47 10.277 9.228 3.478 204 HB2 PHE 47 HB2 PHE 47 8.564 10.835 2.408 205 HB3 PHE 47 HB3 PHE 47 9.744 11.442 3.533 206 HD1 PHE 47 HD1 PHE 47 9.419 10.900 -0.181 207 HD2 PHE 47 HD2 PHE 47 10.905 13.407 2.988 208 HE1 PHE 47 HE1 PHE 47 10.089 12.626 -1.841 209 HE2 PHE 47 HE2 PHE 47 11.646 15.087 1.292 210 HZ PHE 47 HZ PHE 47 11.171 14.717 -1.099 211 H THR 48 H THR 48 8.102 8.646 2.483 212 HA THR 48 HA THR 48 8.436 6.325 0.962 213 HB THR 48 HB THR 48 5.731 7.620 1.225 214 HG1 THR 48 HG1 THR 48 5.717 7.171 3.462 215 HG21 THR 48 HG21 THR 48 6.616 4.864 2.165 216 HG22 THR 48 HG22 THR 48 4.972 5.488 2.046 217 HG23 THR 48 HG23 THR 48 5.892 5.181 0.576 218 H VAL 49 H VAL 49 7.104 5.640 -0.863 219 HA VAL 49 HA VAL 49 7.741 6.807 -3.315 220 HB VAL 49 HB VAL 49 5.409 4.979 -2.593 221 HG11 VAL 49 HG11 VAL 49 6.518 5.652 -5.341 222 HG12 VAL 49 HG12 VAL 49 5.470 4.264 -4.989 223 HG13 VAL 49 HG13 VAL 49 4.864 5.902 -4.761 224 HG21 VAL 49 HG21 VAL 49 6.937 3.219 -3.529 225 HG22 VAL 49 HG22 VAL 49 8.231 4.441 -3.577 226 HG23 VAL 49 HG23 VAL 49 7.502 3.953 -2.033 227 H LYS 50 H LYS 50 4.676 7.109 -1.539 228 HA LYS 50 HA LYS 50 3.407 8.802 -3.453 229 HB2 LYS 50 HB2 LYS 50 1.715 9.210 -1.698 230 HB3 LYS 50 HB3 LYS 50 2.117 7.498 -1.833 231 HG2 LYS 50 HG2 LYS 50 3.597 7.678 0.158 232 HG3 LYS 50 HG3 LYS 50 3.213 9.403 0.289 233 HD2 LYS 50 HD2 LYS 50 0.854 8.879 0.709 234 HD3 LYS 50 HD3 LYS 50 1.184 7.141 0.510 235 HE2 LYS 50 HE2 LYS 50 2.765 7.199 2.409 236 HE3 LYS 50 HE3 LYS 50 2.528 8.938 2.586 237 HZ1 LYS 50 HZ1 LYS 50 0.182 8.500 3.135 238 HZ2 LYS 50 HZ2 LYS 50 0.397 6.888 2.968 239 HZ3 LYS 50 HZ3 LYS 50 1.152 7.694 4.168 240 H GLU 51 H GLU 51 5.631 9.627 -0.900 241 HA GLU 51 HA GLU 51 5.050 12.506 -1.102 242 HB2 GLU 51 HB2 GLU 51 7.254 10.980 0.336 243 HB3 GLU 51 HB3 GLU 51 6.983 12.719 0.441 244 HG2 GLU 51 HG2 GLU 51 5.082 10.527 1.372 245 HG3 GLU 51 HG3 GLU 51 6.113 11.511 2.391 246 H VAL 52 H VAL 52 7.741 10.291 -2.229 247 HA VAL 52 HA VAL 52 9.170 12.400 -3.619 248 HB VAL 52 HB VAL 52 10.069 10.756 -5.071 249 HG11 VAL 52 HG11 VAL 52 11.358 9.431 -3.413 250 HG12 VAL 52 HG12 VAL 52 11.210 11.118 -2.947 251 HG13 VAL 52 HG13 VAL 52 10.187 9.871 -2.163 252 HG21 VAL 52 HG21 VAL 52 8.568 8.646 -3.554 253 HG22 VAL 52 HG22 VAL 52 8.307 9.031 -5.282 254 HG23 VAL 52 HG23 VAL 52 9.834 8.338 -4.751 255 H MET 53 H MET 53 6.637 10.286 -4.850 256 HA MET 53 HA MET 53 6.649 11.568 -7.431 257 HB2 MET 53 HB2 MET 53 4.783 10.330 -8.042 258 HB3 MET 53 HB3 MET 53 5.735 9.291 -6.983 259 HG2 MET 53 HG2 MET 53 4.202 9.916 -5.101 260 HG3 MET 53 HG3 MET 53 3.200 10.813 -6.238 261 HE1 MET 53 HE1 MET 53 1.758 9.771 -8.146 262 HE2 MET 53 HE2 MET 53 3.160 8.950 -8.867 263 HE3 MET 53 HE3 MET 53 1.684 8.033 -8.515 264 H HIS 54 H HIS 54 5.001 12.516 -4.473 265 HA HIS 54 HA HIS 54 3.224 14.511 -5.594 266 HB2 HIS 54 HB2 HIS 54 2.642 13.924 -3.423 267 HB3 HIS 54 HB3 HIS 54 4.292 13.747 -2.903 268 HD2 HIS 54 HD2 HIS 54 5.194 15.479 -1.324 269 HE1 HIS 54 HE1 HIS 54 2.954 18.875 -2.565 270 HE2 HIS 54 HE2 HIS 54 4.710 18.032 -0.929 271 H TYR 55 H TYR 55 6.333 15.031 -3.816 272 HA TYR 55 HA TYR 55 6.841 17.599 -4.672 273 HB2 TYR 55 HB2 TYR 55 8.888 15.419 -4.188 274 HB3 TYR 55 HB3 TYR 55 9.183 17.153 -4.187 275 HD1 TYR 55 HD1 TYR 55 7.603 18.570 -2.542 276 HD2 TYR 55 HD2 TYR 55 8.677 14.435 -2.103 277 HE1 TYR 55 HE1 TYR 55 7.189 18.749 -0.097 278 HE2 TYR 55 HE2 TYR 55 8.262 14.605 0.366 279 HH TYR 55 HH TYR 55 7.202 17.652 1.926 280 H LEU 56 H LEU 56 7.621 14.601 -6.525 281 HA LEU 56 HA LEU 56 9.014 16.002 -8.604 282 HB2 LEU 56 HB2 LEU 56 9.338 13.627 -8.164 283 HB3 LEU 56 HB3 LEU 56 7.654 13.291 -8.584 284 HG LEU 56 HG LEU 56 8.057 13.953 -10.914 285 HD11 LEU 56 HD11 LEU 56 10.955 14.383 -10.094 286 HD12 LEU 56 HD12 LEU 56 10.301 14.368 -11.754 287 HD13 LEU 56 HD13 LEU 56 9.828 15.643 -10.650 288 HD21 LEU 56 HD21 LEU 56 10.180 12.014 -9.913 289 HD22 LEU 56 HD22 LEU 56 8.466 11.624 -10.184 290 HD23 LEU 56 HD23 LEU 56 9.491 12.087 -11.552 291 H GLY 57 H GLY 57 5.524 15.070 -8.329 292 HA2 GLY 57 HA2 GLY 57 4.672 15.943 -10.892 293 HA3 GLY 57 HA3 GLY 57 3.695 15.970 -9.416 294 H GLN 58 H GLN 58 4.907 17.831 -7.818 295 HA GLN 58 HA GLN 58 4.340 20.316 -9.163 296 HB2 GLN 58 HB2 GLN 58 4.693 21.456 -7.139 297 HB3 GLN 58 HB3 GLN 58 3.774 19.980 -6.844 298 HG2 GLN 58 HG2 GLN 58 5.909 18.901 -6.072 299 HG3 GLN 58 HG3 GLN 58 6.715 20.466 -6.225 300 HE21 GLN 58 HE22 GLN 58 7.217 20.434 -3.889 301 HE22 GLN 58 HE21 GLN 58 5.929 20.601 -2.716 302 H TYR 59 H TYR 59 7.489 18.683 -8.533 303 HA TYR 59 HA TYR 59 9.158 20.815 -9.416 304 HB2 TYR 59 HB2 TYR 59 10.023 18.659 -8.504 305 HB3 TYR 59 HB3 TYR 59 9.478 17.835 -9.939 306 HD1 TYR 59 HD2 TYR 59 10.593 18.146 -12.135 307 HD2 TYR 59 HD1 TYR 59 12.105 19.999 -8.541 308 HE1 TYR 59 HE2 TYR 59 12.788 18.548 -13.250 309 HE2 TYR 59 HE1 TYR 59 14.261 20.424 -9.681 310 HH TYR 59 HH TYR 59 14.993 19.347 -12.990 311 H ILE 60 H ILE 60 7.620 18.240 -11.444 312 HA ILE 60 HA ILE 60 8.373 19.302 -13.988 313 HB ILE 60 HB ILE 60 5.856 17.789 -13.177 314 HG12 ILE 60 HG12 ILE 60 8.287 16.559 -14.526 315 HG13 ILE 60 HG13 ILE 60 8.225 16.700 -12.780 316 HG21 ILE 60 HG21 ILE 60 5.493 18.817 -15.364 317 HG22 ILE 60 HG22 ILE 60 7.076 18.247 -15.937 318 HG23 ILE 60 HG23 ILE 60 5.765 17.100 -15.596 319 HD11 ILE 60 HD11 ILE 60 7.403 14.520 -13.357 320 HD12 ILE 60 HD12 ILE 60 6.048 15.486 -12.739 321 HD13 ILE 60 HD13 ILE 60 6.209 15.191 -14.483 322 H MET 61 H MET 61 5.453 19.977 -11.996 323 HA MET 61 HA MET 61 4.268 21.818 -13.794 324 HB2 MET 61 HB2 MET 61 3.351 20.575 -11.697 325 HB3 MET 61 HB3 MET 61 4.002 21.936 -10.783 326 HG2 MET 61 HG2 MET 61 1.960 22.805 -11.097 327 HG3 MET 61 HG3 MET 61 2.564 23.294 -12.671 328 HE1 MET 61 HE1 MET 61 2.528 20.499 -14.391 329 HE2 MET 61 HE2 MET 61 0.884 20.598 -15.049 330 HE3 MET 61 HE3 MET 61 1.886 22.060 -14.968 331 H VAL 62 H VAL 62 6.740 22.437 -11.280 332 HA VAL 62 HA VAL 62 6.689 25.340 -11.587 333 HB VAL 62 HB VAL 62 8.497 23.449 -10.136 334 HG11 VAL 62 HG11 VAL 62 8.702 26.488 -10.233 335 HG12 VAL 62 HG12 VAL 62 9.519 25.448 -9.046 336 HG13 VAL 62 HG13 VAL 62 9.947 25.326 -10.750 337 HG21 VAL 62 HG21 VAL 62 7.504 24.462 -8.150 338 HG22 VAL 62 HG22 VAL 62 6.603 25.625 -9.151 339 HG23 VAL 62 HG23 VAL 62 6.204 23.902 -9.209 340 H LYS 63 H LYS 63 9.028 22.786 -12.565 341 HA LYS 63 HA LYS 63 10.674 24.581 -14.154 342 HB2 LYS 63 HB2 LYS 63 10.384 21.574 -14.524 343 HB3 LYS 63 HB3 LYS 63 11.713 22.586 -15.064 344 HG2 LYS 63 HG2 LYS 63 11.062 21.738 -12.236 345 HG3 LYS 63 HG3 LYS 63 12.419 21.275 -13.226 346 HD2 LYS 63 HD2 LYS 63 11.952 24.083 -12.164 347 HD3 LYS 63 HD3 LYS 63 12.877 22.857 -11.323 348 HE2 LYS 63 HE2 LYS 63 13.589 24.072 -14.031 349 HE3 LYS 63 HE3 LYS 63 14.332 24.419 -12.462 350 HZ1 LYS 63 HZ1 LYS 63 14.958 21.962 -12.418 351 HZ2 LYS 63 HZ2 LYS 63 14.589 21.886 -14.017 352 HZ3 LYS 63 HZ3 LYS 63 15.751 22.885 -13.509 353 H GLN 64 H GLN 64 7.644 23.061 -14.799 354 HA GLN 64 HA GLN 64 6.252 23.011 -16.519 355 HB2 GLN 64 HB2 GLN 64 5.698 25.155 -17.502 356 HB3 GLN 64 HB3 GLN 64 5.973 25.218 -15.770 357 HG2 GLN 64 HG2 GLN 64 8.352 26.088 -16.339 358 HG3 GLN 64 HG3 GLN 64 7.735 26.338 -17.972 359 HE21 GLN 64 HE22 GLN 64 7.402 27.207 -14.517 360 HE22 GLN 64 HE21 GLN 64 6.551 28.725 -14.812 361 H LEU 65 H LEU 65 8.246 21.506 -17.103 362 HA LEU 65 HA LEU 65 9.296 22.122 -19.770 363 HB2 LEU 65 HB2 LEU 65 10.654 21.516 -17.680 364 HB3 LEU 65 HB3 LEU 65 10.088 19.867 -17.888 365 HG LEU 65 HG LEU 65 11.300 19.715 -20.041 366 HD11 LEU 65 HD11 LEU 65 12.048 22.623 -19.553 367 HD12 LEU 65 HD12 LEU 65 12.832 21.559 -20.742 368 HD13 LEU 65 HD13 LEU 65 11.130 21.968 -20.931 369 HD21 LEU 65 HD21 LEU 65 13.587 19.925 -19.172 370 HD22 LEU 65 HD22 LEU 65 13.022 20.986 -17.867 371 HD23 LEU 65 HD23 LEU 65 12.514 19.287 -17.907 372 H TYR 66 H TYR 66 6.487 21.108 -19.261 373 HA TYR 66 HA TYR 66 6.413 18.564 -20.751 374 HB2 TYR 66 HB2 TYR 66 3.941 18.770 -20.331 375 HB3 TYR 66 HB3 TYR 66 4.946 18.621 -18.904 376 HD1 TYR 66 HD2 TYR 66 3.149 21.137 -21.028 377 HD2 TYR 66 HD1 TYR 66 4.899 20.248 -17.195 378 HE1 TYR 66 HE2 TYR 66 2.244 23.276 -20.131 379 HE2 TYR 66 HE1 TYR 66 3.962 22.376 -16.273 380 HH TYR 66 HH TYR 66 2.738 24.290 -16.720 381 H ASP 67 H ASP 67 4.787 18.368 -22.543 382 HA ASP 67 HA ASP 67 5.503 20.243 -24.620 383 HB2 ASP 67 HB2 ASP 67 4.976 17.719 -24.837 384 HB3 ASP 67 HB3 ASP 67 3.286 18.206 -24.862 385 H GLN 68 H GLN 68 4.473 21.947 -25.430 386 HA GLN 68 HA GLN 68 2.392 23.395 -24.285 387 HB2 GLN 68 HB2 GLN 68 2.687 23.366 -27.304 388 HB3 GLN 68 HB3 GLN 68 2.368 24.699 -26.221 389 HG2 GLN 68 HG2 GLN 68 4.483 25.262 -26.589 390 HG3 GLN 68 HG3 GLN 68 4.923 24.034 -25.418 391 HE21 GLN 68 HE22 GLN 68 4.440 21.590 -27.316 392 HE22 GLN 68 HE21 GLN 68 5.718 21.825 -28.473 393 H GLN 69 H GLN 69 2.132 20.734 -26.655 394 HA GLN 69 HA GLN 69 -0.751 21.188 -27.082 395 HB2 GLN 69 HB2 GLN 69 1.056 19.064 -28.275 396 HB3 GLN 69 HB3 GLN 69 -0.522 19.580 -28.851 397 HG2 GLN 69 HG2 GLN 69 2.083 21.150 -28.946 398 HG3 GLN 69 HG3 GLN 69 1.204 20.474 -30.302 399 HE21 GLN 69 HE22 GLN 69 2.028 23.258 -30.007 400 HE22 GLN 69 HE21 GLN 69 0.553 24.209 -29.958 401 H GLU 70 H GLU 70 1.249 19.166 -25.096 402 HA GLU 70 HA GLU 70 -1.121 17.911 -23.932 403 HB2 GLU 70 HB2 GLU 70 0.020 15.598 -24.079 404 HB3 GLU 70 HB3 GLU 70 -1.000 16.190 -25.385 405 HG2 GLU 70 HG2 GLU 70 1.017 16.843 -26.700 406 HG3 GLU 70 HG3 GLU 70 2.045 16.223 -25.408 407 H GLN 71 H GLN 71 -0.777 18.710 -21.994 408 HA GLN 71 HA GLN 71 1.666 18.992 -20.623 409 HB2 GLN 71 HB2 GLN 71 -1.158 18.601 -19.528 410 HB3 GLN 71 HB3 GLN 71 0.235 19.107 -18.588 411 HG2 GLN 71 HG2 GLN 71 -0.869 21.106 -19.034 412 HG3 GLN 71 HG3 GLN 71 0.488 21.098 -20.148 413 HE21 GLN 71 HE22 GLN 71 -1.032 22.877 -21.081 414 HE22 GLN 71 HE21 GLN 71 -2.198 22.313 -22.269 415 H HIS 72 H HIS 72 -0.081 16.052 -21.236 416 HA HIS 72 HA HIS 72 0.913 14.576 -18.988 417 HB2 HIS 72 HB2 HIS 72 -0.382 12.907 -19.707 418 HB3 HIS 72 HB3 HIS 72 -1.082 14.101 -20.779 419 HD2 HIS 72 HD2 HIS 72 0.530 10.765 -20.806 420 HE1 HIS 72 HE1 HIS 72 1.308 12.204 -24.738 421 HE2 HIS 72 HE2 HIS 72 1.357 10.154 -23.239 422 H MET 73 H MET 73 2.391 15.559 -21.947 423 HA MET 73 HA MET 73 4.502 13.478 -21.861 424 HB2 MET 73 HB2 MET 73 3.423 13.931 -24.010 425 HB3 MET 73 HB3 MET 73 3.832 15.647 -23.883 426 HG2 MET 73 HG2 MET 73 5.357 14.513 -25.389 427 HG3 MET 73 HG3 MET 73 6.224 15.120 -23.983 428 HE1 MET 73 HE1 MET 73 8.230 11.922 -25.023 429 HE2 MET 73 HE2 MET 73 7.404 13.085 -26.085 430 HE3 MET 73 HE3 MET 73 8.306 13.664 -24.665 431 H VAL 74 H VAL 74 6.461 13.914 -20.964 432 HA VAL 74 HA VAL 74 7.058 16.718 -20.090 433 HB VAL 74 HB VAL 74 7.643 14.129 -18.613 434 HG11 VAL 74 HG11 VAL 74 8.011 17.072 -17.881 435 HG12 VAL 74 HG12 VAL 74 8.171 15.713 -16.746 436 HG13 VAL 74 HG13 VAL 74 9.289 15.854 -18.097 437 HG21 VAL 74 HG21 VAL 74 5.951 14.935 -16.988 438 HG22 VAL 74 HG22 VAL 74 5.535 16.273 -18.086 439 HG23 VAL 74 HG23 VAL 74 5.224 14.587 -18.553 440 H TYR 75 H TYR 75 8.873 17.533 -20.951 441 HA TYR 75 HA TYR 75 10.987 15.780 -22.031 442 HB2 TYR 75 HB2 TYR 75 10.650 18.791 -22.161 443 HB3 TYR 75 HB3 TYR 75 11.944 17.862 -22.905 444 HD1 TYR 75 HD2 TYR 75 11.209 15.811 -24.365 445 HD2 TYR 75 HD1 TYR 75 8.688 19.197 -23.468 446 HE1 TYR 75 HE2 TYR 75 9.697 15.159 -26.194 447 HE2 TYR 75 HE1 TYR 75 7.218 18.598 -25.384 448 HH TYR 75 HH TYR 75 6.781 17.104 -27.069 449 H CYS 76 H CYS 76 13.229 16.315 -21.482 450 HA CYS 76 HA CYS 76 13.833 17.561 -18.851 451 HB2 CYS 76 HB2 CYS 76 13.714 14.647 -19.469 452 HB3 CYS 76 HB3 CYS 76 15.158 15.176 -18.604 453 HG CYS 76 HG CYS 76 12.065 16.074 -17.860 454 H GLY 77 H GLY 77 14.557 18.163 -21.724 455 HA2 GLY 77 HA2 GLY 77 17.124 17.165 -22.333 456 HA3 GLY 77 HA3 GLY 77 16.411 18.625 -23.023 457 H GLY 78 H GLY 78 18.874 17.384 -21.086 458 HA2 GLY 78 HA2 GLY 78 20.653 18.337 -19.994 459 HA3 GLY 78 HA3 GLY 78 20.089 19.937 -20.479 460 H ASP 79 H ASP 79 17.737 18.003 -18.638 461 HA ASP 79 HA ASP 79 18.088 19.875 -16.383 462 HB2 ASP 79 HB2 ASP 79 15.877 19.540 -17.600 463 HB3 ASP 79 HB3 ASP 79 15.818 17.931 -16.877 464 H LEU 80 H LEU 80 18.327 19.168 -14.259 465 HA LEU 80 HA LEU 80 19.865 16.802 -13.795 466 HB2 LEU 80 HB2 LEU 80 18.371 18.585 -11.851 467 HB3 LEU 80 HB3 LEU 80 19.497 17.293 -11.409 468 HG LEU 80 HG LEU 80 20.262 19.762 -13.006 469 HD11 LEU 80 HD11 LEU 80 21.453 20.422 -10.967 470 HD12 LEU 80 HD12 LEU 80 19.725 20.231 -10.637 471 HD13 LEU 80 HD13 LEU 80 20.870 18.968 -10.127 472 HD21 LEU 80 HD21 LEU 80 21.740 17.902 -13.608 473 HD22 LEU 80 HD22 LEU 80 22.600 19.007 -12.538 474 HD23 LEU 80 HD23 LEU 80 21.958 17.480 -11.892 475 H LEU 81 H LEU 81 16.391 17.295 -13.941 476 HA LEU 81 HA LEU 81 15.700 14.778 -12.683 477 HB2 LEU 81 HB2 LEU 81 14.128 16.656 -12.955 478 HB3 LEU 81 HB3 LEU 81 14.234 16.508 -14.714 479 HG LEU 81 HG LEU 81 13.227 14.213 -14.553 480 HD11 LEU 81 HD11 LEU 81 12.885 14.871 -11.593 481 HD12 LEU 81 HD12 LEU 81 12.243 13.440 -12.448 482 HD13 LEU 81 HD13 LEU 81 13.974 13.636 -12.239 483 HD21 LEU 81 HD21 LEU 81 11.553 16.269 -13.074 484 HD22 LEU 81 HD22 LEU 81 11.781 16.245 -14.834 485 HD23 LEU 81 HD23 LEU 81 10.973 14.892 -14.028 486 H GLY 82 H GLY 82 16.588 15.731 -16.013 487 HA2 GLY 82 HA2 GLY 82 16.084 13.154 -17.263 488 HA3 GLY 82 HA3 GLY 82 17.120 14.456 -17.874 489 H GLU 83 H GLU 83 18.977 14.689 -15.665 490 HA GLU 83 HA GLU 83 20.770 12.520 -16.064 491 HB2 GLU 83 HB2 GLU 83 21.447 14.761 -15.520 492 HB3 GLU 83 HB3 GLU 83 20.426 14.771 -14.093 493 HG2 GLU 83 HG2 GLU 83 22.502 14.609 -13.270 494 HG3 GLU 83 HG3 GLU 83 21.829 12.994 -13.100 495 H LEU 84 H LEU 84 18.364 13.200 -13.468 496 HA LEU 84 HA LEU 84 19.026 10.968 -11.844 497 HB2 LEU 84 HB2 LEU 84 17.872 12.957 -11.028 498 HB3 LEU 84 HB3 LEU 84 16.496 12.637 -12.074 499 HG LEU 84 HG LEU 84 15.936 10.607 -10.796 500 HD11 LEU 84 HD11 LEU 84 18.215 11.419 -8.949 501 HD12 LEU 84 HD12 LEU 84 17.014 10.154 -8.629 502 HD13 LEU 84 HD13 LEU 84 18.167 9.951 -9.953 503 HD21 LEU 84 HD21 LEU 84 15.200 11.750 -8.743 504 HD22 LEU 84 HD22 LEU 84 16.320 13.090 -9.072 505 HD23 LEU 84 HD23 LEU 84 14.954 12.771 -10.165 506 H LEU 85 H LEU 85 16.417 11.339 -14.285 507 HA LEU 85 HA LEU 85 15.488 8.578 -13.953 508 HB2 LEU 85 HB2 LEU 85 14.688 10.971 -15.610 509 HB3 LEU 85 HB3 LEU 85 14.165 9.385 -16.131 510 HG LEU 85 HG LEU 85 12.980 8.950 -14.094 511 HD11 LEU 85 HD11 LEU 85 14.059 11.594 -13.101 512 HD12 LEU 85 HD12 LEU 85 12.680 10.750 -12.360 513 HD13 LEU 85 HD13 LEU 85 14.276 9.991 -12.368 514 HD21 LEU 85 HD21 LEU 85 11.875 10.297 -15.881 515 HD22 LEU 85 HD22 LEU 85 11.245 10.671 -14.270 516 HD23 LEU 85 HD23 LEU 85 12.391 11.779 -15.054 517 H GLY 86 H GLY 86 17.895 10.062 -16.011 518 HA2 GLY 86 HA2 GLY 86 19.454 8.969 -17.331 519 HA3 GLY 86 HA3 GLY 86 18.569 7.450 -17.178 520 H ARG 87 H ARG 87 16.526 10.012 -18.147 521 HA ARG 87 HA ARG 87 17.144 9.957 -20.986 522 HB2 ARG 87 HB2 ARG 87 14.848 9.318 -21.726 523 HB3 ARG 87 HB3 ARG 87 15.748 8.004 -21.008 524 HG2 ARG 87 HG2 ARG 87 14.443 8.285 -18.876 525 HG3 ARG 87 HG3 ARG 87 13.560 9.617 -19.633 526 HD2 ARG 87 HD2 ARG 87 12.148 7.751 -19.895 527 HD3 ARG 87 HD3 ARG 87 12.887 7.969 -21.480 528 HE ARG 87 HE ARG 87 14.532 6.150 -20.093 529 HH11 ARG 87 HH21 ARG 87 11.196 6.137 -21.224 530 HH12 ARG 87 HH22 ARG 87 11.190 4.418 -21.438 531 HH21 ARG 87 HH11 ARG 87 14.443 3.951 -20.415 532 HH22 ARG 87 HH12 ARG 87 12.982 3.215 -21.003 533 H GLN 88 H GLN 88 16.113 11.494 -22.250 534 HA GLN 88 HA GLN 88 15.369 13.870 -20.660 535 HB2 GLN 88 HB2 GLN 88 16.393 13.691 -23.506 536 HB3 GLN 88 HB3 GLN 88 15.995 15.172 -22.614 537 HG2 GLN 88 HG2 GLN 88 18.167 15.107 -21.950 538 HG3 GLN 88 HG3 GLN 88 17.525 13.988 -20.742 539 HE21 GLN 88 HE22 GLN 88 19.152 14.103 -23.987 540 HE22 GLN 88 HE21 GLN 88 19.910 12.529 -23.794 541 H SER 89 H SER 89 13.581 11.614 -21.690 542 HA SER 89 HA SER 89 11.278 13.363 -21.584 543 HB2 SER 89 HB2 SER 89 10.103 12.610 -23.593 544 HB3 SER 89 HB3 SER 89 11.558 13.536 -23.960 545 HG SER 89 HG SER 89 11.435 11.666 -25.285 546 H PHE 90 H PHE 90 9.411 12.462 -20.880 547 HA PHE 90 HA PHE 90 8.856 9.611 -20.908 548 HB2 PHE 90 HB2 PHE 90 8.690 9.268 -18.541 549 HB3 PHE 90 HB3 PHE 90 10.323 9.749 -18.918 550 HD1 PHE 90 HD2 PHE 90 11.147 12.045 -18.299 551 HD2 PHE 90 HD1 PHE 90 7.281 10.570 -17.071 552 HE1 PHE 90 HE2 PHE 90 11.044 13.770 -16.511 553 HE2 PHE 90 HE1 PHE 90 7.189 12.294 -15.286 554 HZ PHE 90 HZ PHE 90 9.083 13.881 -14.994 555 H SER 91 H SER 91 6.572 9.337 -19.613 556 HA SER 91 HA SER 91 5.001 11.830 -19.656 557 HB2 SER 91 HB2 SER 91 3.492 11.188 -21.328 558 HB3 SER 91 HB3 SER 91 5.069 10.815 -22.023 559 HG SER 91 HG SER 91 3.920 8.988 -22.353 560 H VAL 92 H VAL 92 2.652 11.378 -19.097 561 HA VAL 92 HA VAL 92 2.383 9.699 -16.757 562 HB VAL 92 HB VAL 92 0.275 11.029 -18.489 563 HG11 VAL 92 HG11 VAL 92 -0.861 9.348 -17.148 564 HG12 VAL 92 HG12 VAL 92 0.015 9.866 -15.690 565 HG13 VAL 92 HG13 VAL 92 -1.173 10.938 -16.458 566 HG21 VAL 92 HG21 VAL 92 1.873 12.640 -17.461 567 HG22 VAL 92 HG22 VAL 92 0.279 12.767 -16.730 568 HG23 VAL 92 HG23 VAL 92 1.576 11.912 -15.871 569 H LYS 93 H LYS 93 2.193 8.914 -20.135 570 HA LYS 93 HA LYS 93 0.885 6.270 -19.637 571 HB2 LYS 93 HB2 LYS 93 1.419 7.958 -22.068 572 HB3 LYS 93 HB3 LYS 93 1.526 6.220 -22.265 573 HG2 LYS 93 HG2 LYS 93 -0.688 6.956 -22.837 574 HG3 LYS 93 HG3 LYS 93 -0.730 5.888 -21.432 575 HD2 LYS 93 HD2 LYS 93 -1.080 7.825 -19.932 576 HD3 LYS 93 HD3 LYS 93 -0.862 8.929 -21.296 577 HE2 LYS 93 HE2 LYS 93 -3.208 8.777 -20.863 578 HE3 LYS 93 HE3 LYS 93 -2.872 7.990 -22.405 579 HZ1 LYS 93 HZ1 LYS 93 -3.291 6.559 -19.821 580 HZ2 LYS 93 HZ2 LYS 93 -4.393 6.684 -21.013 581 HZ3 LYS 93 HZ3 LYS 93 -3.031 5.832 -21.266 582 H ASP 94 H ASP 94 4.038 7.665 -20.038 583 HA ASP 94 HA ASP 94 5.264 4.951 -19.761 584 HB2 ASP 94 HB2 ASP 94 5.683 5.982 -21.962 585 HB3 ASP 94 HB3 ASP 94 6.363 7.406 -21.176 586 HA PRO 95 HA PRO 95 6.383 7.687 -16.125 587 HB2 PRO 95 HB2 PRO 95 4.999 6.658 -14.067 588 HB3 PRO 95 HB3 PRO 95 4.188 7.626 -15.337 589 HG2 PRO 95 HG2 PRO 95 4.383 4.586 -15.196 590 HG3 PRO 95 HG3 PRO 95 2.899 5.584 -15.356 591 HD2 PRO 95 HD2 PRO 95 4.178 4.544 -17.540 592 HD3 PRO 95 HD3 PRO 95 3.392 6.153 -17.558 593 H SER 96 H SER 96 6.856 4.413 -16.897 594 HA SER 96 HA SER 96 7.914 3.108 -14.784 595 HB2 SER 96 HB2 SER 96 9.098 3.072 -17.579 596 HB3 SER 96 HB3 SER 96 9.234 1.802 -16.348 597 HG SER 96 HG SER 96 7.529 1.379 -17.846 598 HA PRO 97 HA PRO 97 12.350 5.060 -15.232 599 HB2 PRO 97 HB2 PRO 97 11.459 7.903 -15.732 600 HB3 PRO 97 HB3 PRO 97 13.001 7.107 -16.191 601 HG2 PRO 97 HG2 PRO 97 11.061 7.451 -18.028 602 HG3 PRO 97 HG3 PRO 97 11.901 5.860 -17.930 603 HD2 PRO 97 HD2 PRO 97 9.234 6.685 -16.769 604 HD3 PRO 97 HD3 PRO 97 9.638 5.212 -17.697 605 H LEU 98 H LEU 98 9.544 6.792 -13.871 606 HA LEU 98 HA LEU 98 10.837 7.863 -11.502 607 HB2 LEU 98 HB2 LEU 98 8.727 8.647 -12.602 608 HB3 LEU 98 HB3 LEU 98 7.920 7.168 -12.114 609 HG LEU 98 HG LEU 98 8.952 9.313 -10.231 610 HD11 LEU 98 HD11 LEU 98 7.021 9.961 -11.673 611 HD12 LEU 98 HD12 LEU 98 6.118 8.557 -11.078 612 HD13 LEU 98 HD13 LEU 98 6.573 9.863 -9.961 613 HD21 LEU 98 HD21 LEU 98 7.281 6.820 -9.678 614 HD22 LEU 98 HD22 LEU 98 8.881 7.215 -9.006 615 HD23 LEU 98 HD23 LEU 98 7.484 8.172 -8.542 616 H TYR 99 H TYR 99 8.698 5.045 -12.077 617 HA TYR 99 HA TYR 99 8.979 3.957 -9.481 618 HB2 TYR 99 HB2 TYR 99 8.283 2.584 -12.113 619 HB3 TYR 99 HB3 TYR 99 8.120 1.842 -10.529 620 HD1 TYR 99 HD1 TYR 99 6.594 2.959 -8.779 621 HD2 TYR 99 HD2 TYR 99 6.496 3.926 -12.986 622 HE1 TYR 99 HE1 TYR 99 4.320 3.930 -8.504 623 HE2 TYR 99 HE2 TYR 99 4.215 4.879 -12.707 624 HH TYR 99 HH TYR 99 2.542 4.968 -9.537 625 H ASP 100 H ASP 100 10.943 3.368 -12.435 626 HA ASP 100 HA ASP 100 12.623 1.391 -11.288 627 HB2 ASP 100 HB2 ASP 100 12.524 1.973 -13.699 628 HB3 ASP 100 HB3 ASP 100 13.324 3.502 -13.366 629 H MET 101 H MET 101 12.929 4.972 -11.295 630 HA MET 101 HA MET 101 15.435 5.228 -10.031 631 HB2 MET 101 HB2 MET 101 14.670 7.193 -11.011 632 HB3 MET 101 HB3 MET 101 12.993 6.858 -10.630 633 HG2 MET 101 HG2 MET 101 13.444 7.402 -8.262 634 HG3 MET 101 HG3 MET 101 15.014 8.047 -8.782 635 HE1 MET 101 HE1 MET 101 11.106 8.173 -9.046 636 HE2 MET 101 HE2 MET 101 11.694 8.980 -7.577 637 HE3 MET 101 HE3 MET 101 10.868 9.925 -8.826 638 H LEU 102 H LEU 102 12.146 4.843 -8.603 639 HA LEU 102 HA LEU 102 13.408 4.850 -5.922 640 HB2 LEU 102 HB2 LEU 102 11.192 4.694 -4.982 641 HB3 LEU 102 HB3 LEU 102 11.490 6.060 -6.029 642 HG LEU 102 HG LEU 102 10.242 4.688 -7.864 643 HD11 LEU 102 HD11 LEU 102 9.992 2.524 -6.710 644 HD12 LEU 102 HD12 LEU 102 9.183 3.336 -5.359 645 HD13 LEU 102 HD13 LEU 102 8.419 3.270 -6.955 646 HD21 LEU 102 HD21 LEU 102 8.823 5.843 -5.441 647 HD22 LEU 102 HD22 LEU 102 9.449 6.764 -6.817 648 HD23 LEU 102 HD23 LEU 102 8.114 5.630 -7.067 649 H ARG 103 H ARG 103 11.992 2.263 -7.979 650 HA ARG 103 HA ARG 103 11.987 0.295 -5.934 651 HB2 ARG 103 HB2 ARG 103 11.526 -1.295 -7.633 652 HB3 ARG 103 HB3 ARG 103 10.814 0.223 -8.168 653 HG2 ARG 103 HG2 ARG 103 11.711 -0.404 -10.130 654 HG3 ARG 103 HG3 ARG 103 13.081 0.483 -9.466 655 HD2 ARG 103 HD2 ARG 103 14.014 -1.771 -8.691 656 HD3 ARG 103 HD3 ARG 103 12.715 -2.517 -9.637 657 HE ARG 103 HE ARG 103 14.096 -0.618 -11.294 658 HH11 ARG 103 HH11 ARG 103 14.779 -3.783 -9.916 659 HH12 ARG 103 HH12 ARG 103 15.942 -4.134 -11.167 660 HH21 ARG 103 HH21 ARG 103 15.470 -1.080 -12.745 661 HH22 ARG 103 HH22 ARG 103 16.343 -2.616 -12.788 662 H LYS 104 H LYS 104 14.598 1.288 -8.015 663 HA LYS 104 HA LYS 104 16.438 -0.824 -7.263 664 HB2 LYS 104 HB2 LYS 104 18.072 0.318 -8.450 665 HB3 LYS 104 HB3 LYS 104 16.561 0.687 -9.280 666 HG2 LYS 104 HG2 LYS 104 16.532 2.918 -8.084 667 HG3 LYS 104 HG3 LYS 104 18.104 2.517 -7.380 668 HD2 LYS 104 HD2 LYS 104 18.483 3.928 -9.308 669 HD3 LYS 104 HD3 LYS 104 19.059 2.292 -9.690 670 HE2 LYS 104 HE2 LYS 104 16.826 1.843 -10.795 671 HE3 LYS 104 HE3 LYS 104 16.366 3.497 -10.461 672 HZ1 LYS 104 HZ1 LYS 104 18.147 4.234 -11.968 673 HZ2 LYS 104 HZ2 LYS 104 18.665 2.693 -12.186 674 HZ3 LYS 104 HZ3 LYS 104 17.186 3.129 -12.734 675 H ASN 105 H ASN 105 15.402 2.051 -5.613 676 HA ASN 105 HA ASN 105 17.538 1.728 -3.577 677 HB2 ASN 105 HB2 ASN 105 16.902 3.989 -4.430 678 HB3 ASN 105 HB3 ASN 105 15.358 3.825 -3.600 679 HD21 ASN 105 HD22 ASN 105 18.826 4.332 -3.201 680 HD22 ASN 105 HD21 ASN 105 18.769 4.549 -1.460 681 H LEU 106 H LEU 106 13.922 2.139 -3.068 682 HA LEU 106 HA LEU 106 14.269 0.490 -0.655 683 HB2 LEU 106 HB2 LEU 106 12.411 1.469 0.215 684 HB3 LEU 106 HB3 LEU 106 13.149 2.784 -0.677 685 HG LEU 106 HG LEU 106 10.743 1.119 -1.534 686 HD11 LEU 106 HD11 LEU 106 10.885 4.025 -0.667 687 HD12 LEU 106 HD12 LEU 106 9.436 3.123 -1.156 688 HD13 LEU 106 HD13 LEU 106 10.279 2.664 0.313 689 HD21 LEU 106 HD21 LEU 106 12.072 3.475 -2.924 690 HD22 LEU 106 HD22 LEU 106 11.757 1.846 -3.572 691 HD23 LEU 106 HD23 LEU 106 10.418 2.944 -3.266 692 H VAL 107 H VAL 107 12.853 -1.231 -0.060 693 HA VAL 107 HA VAL 107 11.982 -2.953 -2.291 694 HB VAL 107 HB VAL 107 11.729 -3.366 0.714 695 HG11 VAL 107 HG11 VAL 107 10.063 -4.708 -0.529 696 HG12 VAL 107 HG12 VAL 107 11.337 -5.298 -1.622 697 HG13 VAL 107 HG13 VAL 107 11.348 -5.742 0.098 698 HG21 VAL 107 HG21 VAL 107 13.734 -4.477 -1.304 699 HG22 VAL 107 HG22 VAL 107 14.094 -3.325 0.000 700 HG23 VAL 107 HG23 VAL 107 13.595 -4.971 0.398 701 H THR 108 H THR 108 10.145 -2.451 -3.319 702 HA THR 108 HA THR 108 7.646 -1.954 -1.863 703 HB THR 108 HB THR 108 8.865 0.269 -1.987 704 HG1 THR 108 HG1 THR 108 6.745 0.375 -1.609 705 HG21 THR 108 HG21 THR 108 9.796 0.178 -4.251 706 HG22 THR 108 HG22 THR 108 8.154 0.167 -4.941 707 HG23 THR 108 HG23 THR 108 8.712 1.564 -4.022 708 H LEU 109 H LEU 109 6.030 -1.073 -3.698 709 HA LEU 109 HA LEU 109 6.065 -3.035 -5.970 710 HB2 LEU 109 HB2 LEU 109 3.669 -1.966 -4.431 711 HB3 LEU 109 HB3 LEU 109 3.591 -3.027 -5.833 712 HG LEU 109 HG LEU 109 4.808 -3.761 -3.129 713 HD11 LEU 109 HD11 LEU 109 2.226 -4.656 -4.476 714 HD12 LEU 109 HD12 LEU 109 2.858 -5.233 -2.916 715 HD13 LEU 109 HD13 LEU 109 2.351 -3.546 -3.093 716 HD21 LEU 109 HD21 LEU 109 5.927 -5.021 -4.919 717 HD22 LEU 109 HD22 LEU 109 4.831 -6.079 -4.028 718 HD23 LEU 109 HD23 LEU 109 4.353 -5.460 -5.624 719 H ALA 110 H ALA 110 4.910 -2.355 -7.896 720 HA ALA 110 HA ALA 110 4.663 0.565 -8.358 721 HB1 ALA 110 HB1 ALA 110 6.993 -0.010 -8.939 722 HB2 ALA 110 HB2 ALA 110 6.397 -1.300 -10.021 723 HB3 ALA 110 HB3 ALA 110 6.034 0.399 -10.381 724 H THR 111 H THR 111 3.850 0.976 -10.653 725 HA THR 111 HA THR 111 1.964 -1.042 -11.685 726 HB THR 111 HB THR 111 1.021 -0.181 -9.585 727 HG1 THR 111 HG1 THR 111 -1.027 0.096 -10.503 728 HG21 THR 111 HG21 THR 111 -0.002 2.034 -9.453 729 HG22 THR 111 HG22 THR 111 1.746 2.187 -9.666 730 HG23 THR 111 HG23 THR 111 0.656 2.479 -11.040 731 HD1 49H 200 HD1 49H 200 1.652 14.084 -13.576 732 HD2 49H 200 HD2 49H 200 1.347 12.566 -9.555 733 HD3 49H 200 HD3 49H 200 0.694 11.230 -13.590 734 HD4 49H 200 HD4 49H 200 -1.495 10.635 -9.934 735 HD5 49H 200 HD5 49H 200 -2.703 13.030 -15.533 736 HE1 49H 200 HE1 49H 200 4.073 13.596 -13.571 737 HE2 49H 200 HE2 49H 200 3.772 12.028 -9.589 738 HE4 49H 200 HE4 49H 200 -0.501 8.380 -9.708 739 HE5 49H 200 HE5 49H 200 -3.073 13.903 -17.778 740 HE6 49H 200 HE6 49H 200 -0.225 17.013 -17.085 741 HZ2 49H 200 HZ2 49H 200 1.116 7.555 -11.408 742 HM11 49H 200 HM11 49H 200 -3.133 16.549 -20.423 743 HM12 49H 200 HM12 49H 200 -3.248 14.877 -19.815 744 HM13 49H 200 HM13 49H 200 -4.000 16.219 -18.898 745 HM21 49H 200 HM21 49H 200 3.409 16.304 -16.416 746 HM22 49H 200 HM22 49H 200 2.887 15.009 -15.332 747 HM23 49H 200 HM23 49H 200 1.963 15.368 -16.794 748 HM31 49H 200 HM31 49H 200 1.855 18.080 -13.421 749 HM32 49H 200 HM32 49H 200 2.783 16.577 -13.327 750 HM33 49H 200 HM33 49H 200 3.364 17.919 -14.328 751 HN1 49H 200 HN1 49H 200 -3.923 19.076 -14.712 752 H21 49H 200 H21 49H 200 -4.669 16.882 -14.116 753 H22 49H 200 H22 49H 200 -3.145 16.591 -14.971 754 H31 49H 200 H31 49H 200 -3.595 16.740 -11.962 755 H32 49H 200 H32 49H 200 -3.125 15.322 -12.873 756 H41 49H 200 H41 49H 200 -0.446 18.574 -12.843 757 H42 49H 200 H42 49H 200 -1.614 18.637 -11.502 758 H7 49H 200 H7 49H 200 -1.982 12.526 -11.274 759 H8 49H 200 H8 49H 200 -0.449 13.991 -10.508 760 H9 49H 200 H9 49H 200 1.402 17.667 -15.845 Start of MODEL 20 1 H1 GLN 23 H GLN 23 14.246 4.779 12.319 2 HA GLN 23 HA GLN 23 15.371 5.798 9.894 3 HB2 GLN 23 HB2 GLN 23 16.459 3.808 9.019 4 HB3 GLN 23 HB3 GLN 23 17.250 4.363 10.491 5 HG2 GLN 23 HG2 GLN 23 16.057 2.573 11.785 6 HG3 GLN 23 HG3 GLN 23 15.309 2.009 10.287 7 HE21 GLN 23 HE22 GLN 23 18.478 2.408 11.956 8 HE22 GLN 23 HE21 GLN 23 19.283 1.173 10.995 9 H ILE 24 H ILE 24 14.404 4.921 7.937 10 HA ILE 24 HA ILE 24 11.917 3.337 8.272 11 HB ILE 24 HB ILE 24 10.916 4.924 6.602 12 HG12 ILE 24 HG12 ILE 24 13.029 6.879 7.614 13 HG13 ILE 24 HG13 ILE 24 12.902 6.240 5.976 14 HG21 ILE 24 HG21 ILE 24 11.294 6.020 9.404 15 HG22 ILE 24 HG22 ILE 24 9.916 6.303 8.310 16 HG23 ILE 24 HG23 ILE 24 10.203 4.687 8.952 17 HD11 ILE 24 HD11 ILE 24 11.011 8.170 7.377 18 HD12 ILE 24 HD12 ILE 24 11.999 8.460 5.938 19 HD13 ILE 24 HD13 ILE 24 10.598 7.383 5.844 20 H ASN 25 H ASN 25 10.961 2.657 6.242 21 HA ASN 25 HA ASN 25 13.066 1.304 4.791 22 HB2 ASN 25 HB2 ASN 25 10.064 0.853 4.702 23 HB3 ASN 25 HB3 ASN 25 11.325 -0.279 4.196 24 HD21 ASN 25 HD22 ASN 25 13.022 -0.714 6.146 25 HD22 ASN 25 HD21 ASN 25 12.245 -0.960 7.702 26 H GLN 26 H GLN 26 12.934 3.892 4.011 27 HA GLN 26 HA GLN 26 11.902 3.971 1.202 28 HB2 GLN 26 HB2 GLN 26 11.754 6.553 2.477 29 HB3 GLN 26 HB3 GLN 26 10.550 5.665 1.572 30 HG2 GLN 26 HG2 GLN 26 11.111 5.508 4.532 31 HG3 GLN 26 HG3 GLN 26 9.796 6.404 3.800 32 HE21 GLN 26 HE22 GLN 26 9.548 3.615 2.008 33 HE22 GLN 26 HE21 GLN 26 8.546 2.720 3.125 34 H VAL 27 H VAL 27 12.751 6.317 0.338 35 HA VAL 27 HA VAL 27 15.617 5.739 0.005 36 HB VAL 27 HB VAL 27 14.095 7.820 -1.571 37 HG11 VAL 27 HG11 VAL 27 16.398 7.725 -2.200 38 HG12 VAL 27 HG12 VAL 27 16.399 5.945 -2.196 39 HG13 VAL 27 HG13 VAL 27 15.531 6.861 -3.443 40 HG21 VAL 27 HG21 VAL 27 12.555 5.963 -1.724 41 HG22 VAL 27 HG22 VAL 27 13.460 6.025 -3.225 42 HG23 VAL 27 HG23 VAL 27 13.888 4.815 -1.992 43 H ARG 28 H ARG 28 16.982 7.774 -0.454 44 HA ARG 28 HA ARG 28 16.455 10.292 0.668 45 HB2 ARG 28 HB2 ARG 28 17.060 9.253 2.828 46 HB3 ARG 28 HB3 ARG 28 18.547 8.597 2.139 47 HG2 ARG 28 HG2 ARG 28 19.459 10.875 1.843 48 HG3 ARG 28 HG3 ARG 28 17.919 11.578 2.344 49 HD2 ARG 28 HD2 ARG 28 19.458 11.779 4.129 50 HD3 ARG 28 HD3 ARG 28 18.221 10.592 4.594 51 HE ARG 28 HE ARG 28 20.528 9.298 3.410 52 HH11 ARG 28 HH11 ARG 28 19.541 10.756 6.442 53 HH12 ARG 28 HH12 ARG 28 20.658 9.794 7.372 54 HH21 ARG 28 HH21 ARG 28 21.918 8.093 4.659 55 HH22 ARG 28 HH22 ARG 28 21.970 8.332 6.381 56 HA PRO 29 HA PRO 29 19.703 10.563 -2.493 57 HB2 PRO 29 HB2 PRO 29 19.442 13.353 -2.889 58 HB3 PRO 29 HB3 PRO 29 18.428 12.084 -3.615 59 HG2 PRO 29 HG2 PRO 29 17.522 14.038 -1.729 60 HG3 PRO 29 HG3 PRO 29 16.706 12.562 -2.259 61 HD2 PRO 29 HD2 PRO 29 18.457 12.950 0.164 62 HD3 PRO 29 HD3 PRO 29 16.892 12.121 0.037 63 H LYS 30 H LYS 30 21.589 11.767 -3.237 64 HA LYS 30 HA LYS 30 23.422 12.751 -1.117 65 HB2 LYS 30 HB2 LYS 30 24.075 11.165 -3.028 66 HB3 LYS 30 HB3 LYS 30 23.885 12.532 -4.129 67 HG2 LYS 30 HG2 LYS 30 25.650 13.763 -2.788 68 HG3 LYS 30 HG3 LYS 30 25.819 12.323 -1.770 69 HD2 LYS 30 HD2 LYS 30 26.467 11.003 -3.784 70 HD3 LYS 30 HD3 LYS 30 26.304 12.466 -4.783 71 HE2 LYS 30 HE2 LYS 30 28.061 13.587 -3.426 72 HE3 LYS 30 HE3 LYS 30 28.207 12.147 -2.412 73 HZ1 LYS 30 HZ1 LYS 30 28.947 10.910 -4.384 74 HZ2 LYS 30 HZ2 LYS 30 28.813 12.239 -5.326 75 HZ3 LYS 30 HZ3 LYS 30 29.922 12.191 -4.132 76 H LEU 31 H LEU 31 24.366 14.968 -1.338 77 HA LEU 31 HA LEU 31 22.409 16.925 -1.441 78 HB2 LEU 31 HB2 LEU 31 25.393 17.323 -1.836 79 HB3 LEU 31 HB3 LEU 31 24.240 18.603 -1.491 80 HG LEU 31 HG LEU 31 24.879 16.258 0.349 81 HD11 LEU 31 HD11 LEU 31 26.705 17.907 0.141 82 HD12 LEU 31 HD12 LEU 31 25.574 19.218 0.546 83 HD13 LEU 31 HD13 LEU 31 25.959 17.963 1.746 84 HD21 LEU 31 HD21 LEU 31 22.577 16.973 0.755 85 HD22 LEU 31 HD22 LEU 31 23.606 17.569 2.054 86 HD23 LEU 31 HD23 LEU 31 23.076 18.683 0.775 87 HA PRO 32 HA PRO 32 23.358 18.271 -5.947 88 HB2 PRO 32 HB2 PRO 32 24.221 15.669 -7.171 89 HB3 PRO 32 HB3 PRO 32 24.726 17.339 -7.581 90 HG2 PRO 32 HG2 PRO 32 26.381 15.755 -6.146 91 HG3 PRO 32 HG3 PRO 32 26.131 17.459 -5.628 92 HD2 PRO 32 HD2 PRO 32 24.727 14.969 -4.606 93 HD3 PRO 32 HD3 PRO 32 25.562 16.240 -3.667 94 H LEU 33 H LEU 33 21.983 15.132 -5.121 95 HA LEU 33 HA LEU 33 19.884 15.363 -7.209 96 HB2 LEU 33 HB2 LEU 33 20.392 13.206 -5.135 97 HB3 LEU 33 HB3 LEU 33 19.232 13.138 -6.455 98 HG LEU 33 HG LEU 33 22.271 13.160 -6.680 99 HD11 LEU 33 HD11 LEU 33 21.956 10.914 -7.607 100 HD12 LEU 33 HD12 LEU 33 21.259 11.023 -5.983 101 HD13 LEU 33 HD13 LEU 33 20.195 11.057 -7.406 102 HD21 LEU 33 HD21 LEU 33 21.403 14.402 -8.608 103 HD22 LEU 33 HD22 LEU 33 21.963 12.808 -9.110 104 HD23 LEU 33 HD23 LEU 33 20.224 13.112 -8.938 105 H LEU 34 H LEU 34 20.258 15.575 -3.704 106 HA LEU 34 HA LEU 34 17.501 16.034 -2.973 107 HB2 LEU 34 HB2 LEU 34 19.304 15.392 -1.426 108 HB3 LEU 34 HB3 LEU 34 20.254 16.778 -1.836 109 HG LEU 34 HG LEU 34 17.584 17.287 -0.508 110 HD11 LEU 34 HD11 LEU 34 20.124 16.374 0.910 111 HD12 LEU 34 HD12 LEU 34 18.669 17.025 1.695 112 HD13 LEU 34 HD13 LEU 34 18.587 15.484 0.832 113 HD21 LEU 34 HD21 LEU 34 18.978 19.094 0.573 114 HD22 LEU 34 HD22 LEU 34 20.372 18.566 -0.373 115 HD23 LEU 34 HD23 LEU 34 18.942 19.247 -1.180 116 H LYS 35 H LYS 35 20.040 18.310 -4.114 117 HA LYS 35 HA LYS 35 18.458 20.608 -3.469 118 HB2 LYS 35 HB2 LYS 35 19.944 21.978 -4.453 119 HB3 LYS 35 HB3 LYS 35 20.704 20.728 -3.477 120 HG2 LYS 35 HG2 LYS 35 21.191 19.512 -5.736 121 HG3 LYS 35 HG3 LYS 35 20.734 21.064 -6.503 122 HD2 LYS 35 HD2 LYS 35 22.248 22.184 -4.788 123 HD3 LYS 35 HD3 LYS 35 22.795 20.570 -4.324 124 HE2 LYS 35 HE2 LYS 35 23.636 20.201 -6.674 125 HE3 LYS 35 HE3 LYS 35 23.034 21.795 -7.134 126 HZ1 LYS 35 HZ1 LYS 35 25.177 21.322 -5.116 127 HZ2 LYS 35 HZ2 LYS 35 25.414 21.866 -6.637 128 HZ3 LYS 35 HZ3 LYS 35 24.611 22.789 -5.562 129 H ILE 36 H ILE 36 18.396 18.570 -6.260 130 HA ILE 36 HA ILE 36 16.833 20.118 -8.094 131 HB ILE 36 HB ILE 36 16.614 17.110 -7.607 132 HG12 ILE 36 HG12 ILE 36 18.596 18.532 -9.418 133 HG13 ILE 36 HG13 ILE 36 19.004 17.795 -7.877 134 HG21 ILE 36 HG21 ILE 36 16.183 18.739 -10.142 135 HG22 ILE 36 HG22 ILE 36 15.942 16.990 -9.958 136 HG23 ILE 36 HG23 ILE 36 14.885 18.098 -9.107 137 HD11 ILE 36 HD11 ILE 36 19.636 16.249 -9.550 138 HD12 ILE 36 HD12 ILE 36 18.230 15.582 -8.697 139 HD13 ILE 36 HD13 ILE 36 18.031 16.292 -10.317 140 H LEU 37 H LEU 37 15.843 17.784 -5.542 141 HA LEU 37 HA LEU 37 13.046 18.504 -5.811 142 HB2 LEU 37 HB2 LEU 37 14.580 16.546 -4.055 143 HB3 LEU 37 HB3 LEU 37 12.939 16.867 -3.742 144 HG LEU 37 HG LEU 37 13.719 16.331 -6.627 145 HD11 LEU 37 HD11 LEU 37 13.129 14.110 -4.675 146 HD12 LEU 37 HD12 LEU 37 13.457 13.971 -6.410 147 HD13 LEU 37 HD13 LEU 37 14.749 14.495 -5.316 148 HD21 LEU 37 HD21 LEU 37 11.382 17.019 -6.089 149 HD22 LEU 37 HD22 LEU 37 11.463 15.375 -6.743 150 HD23 LEU 37 HD23 LEU 37 11.256 15.616 -5.000 151 H HIS 38 H HIS 38 15.600 19.720 -3.662 152 HA HIS 38 HA HIS 38 13.821 21.347 -2.045 153 HB2 HIS 38 HB2 HIS 38 16.748 21.552 -2.762 154 HB3 HIS 38 HB3 HIS 38 15.937 22.860 -1.937 155 HD2 HIS 38 HD2 HIS 38 15.648 19.033 -1.165 156 HE1 HIS 38 HE1 HIS 38 16.948 21.051 2.369 157 HE2 HIS 38 HE2 HIS 38 16.326 18.795 1.393 158 H ALA 39 H ALA 39 15.254 21.952 -5.316 159 HA ALA 39 HA ALA 39 14.333 24.610 -5.571 160 HB1 ALA 39 HB1 ALA 39 14.384 22.546 -7.807 161 HB2 ALA 39 HB2 ALA 39 14.530 24.294 -7.954 162 HB3 ALA 39 HB3 ALA 39 15.839 23.373 -7.184 163 H ALA 40 H ALA 40 12.475 21.659 -5.536 164 HA ALA 40 HA ALA 40 9.979 23.122 -6.199 165 HB1 ALA 40 HB1 ALA 40 10.432 21.240 -7.629 166 HB2 ALA 40 HB2 ALA 40 10.582 20.143 -6.228 167 HB3 ALA 40 HB3 ALA 40 9.020 20.892 -6.629 168 H GLY 41 H GLY 41 11.481 23.209 -3.571 169 HA2 GLY 41 HA2 GLY 41 10.784 23.641 -1.443 170 HA3 GLY 41 HA3 GLY 41 9.130 23.275 -1.932 171 H ALA 42 H ALA 42 11.319 20.616 -2.445 172 HA ALA 42 HA ALA 42 9.934 19.067 -0.439 173 HB1 ALA 42 HB1 ALA 42 12.247 18.205 -2.181 174 HB2 ALA 42 HB2 ALA 42 10.902 17.213 -1.592 175 HB3 ALA 42 HB3 ALA 42 10.614 18.421 -2.858 176 H GLN 43 H GLN 43 11.610 17.251 0.367 177 HA GLN 43 HA GLN 43 14.079 18.377 1.616 178 HB2 GLN 43 HB2 GLN 43 12.090 16.543 3.009 179 HB3 GLN 43 HB3 GLN 43 13.686 16.991 3.626 180 HG2 GLN 43 HG2 GLN 43 12.995 19.393 3.627 181 HG3 GLN 43 HG3 GLN 43 11.373 18.911 3.114 182 HE21 GLN 43 HE22 GLN 43 10.086 17.513 4.638 183 HE22 GLN 43 HE21 GLN 43 10.459 17.617 6.352 184 H GLY 44 H GLY 44 14.199 17.315 -0.802 185 HA2 GLY 44 HA2 GLY 44 15.595 15.911 -1.971 186 HA3 GLY 44 HA3 GLY 44 15.981 15.060 -0.472 187 H GLU 45 H GLU 45 15.350 13.031 -0.477 188 HA GLU 45 HA GLU 45 12.783 12.125 -1.646 189 HB2 GLU 45 HB2 GLU 45 15.436 10.723 -2.167 190 HB3 GLU 45 HB3 GLU 45 13.848 10.081 -2.559 191 HG2 GLU 45 HG2 GLU 45 13.415 11.892 -4.123 192 HG3 GLU 45 HG3 GLU 45 15.014 12.581 -3.799 193 H MET 46 H MET 46 13.954 12.686 1.053 194 HA MET 46 HA MET 46 14.577 10.194 2.356 195 HB2 MET 46 HB2 MET 46 15.705 12.188 2.733 196 HB3 MET 46 HB3 MET 46 14.245 12.944 3.428 197 HG2 MET 46 HG2 MET 46 14.339 11.307 5.304 198 HG3 MET 46 HG3 MET 46 15.696 10.496 4.529 199 HE1 MET 46 HE1 MET 46 14.408 13.610 6.498 200 HE2 MET 46 HE2 MET 46 15.839 14.658 6.590 201 HE3 MET 46 HE3 MET 46 15.000 14.444 5.041 202 H PHE 47 H PHE 47 12.312 9.631 1.306 203 HA PHE 47 HA PHE 47 10.303 9.034 3.299 204 HB2 PHE 47 HB2 PHE 47 8.553 10.598 2.187 205 HB3 PHE 47 HB3 PHE 47 9.651 11.199 3.393 206 HD1 PHE 47 HD2 PHE 47 9.509 10.849 -0.366 207 HD2 PHE 47 HD1 PHE 47 10.801 13.191 3.003 208 HE1 PHE 47 HE2 PHE 47 10.253 12.684 -1.906 209 HE2 PHE 47 HE1 PHE 47 11.608 14.972 1.437 210 HZ PHE 47 HZ PHE 47 11.251 14.734 -0.985 211 H THR 48 H THR 48 8.166 8.394 2.176 212 HA THR 48 HA THR 48 8.763 6.188 0.459 213 HB THR 48 HB THR 48 5.961 7.109 1.123 214 HG1 THR 48 HG1 THR 48 6.244 6.275 3.199 215 HG21 THR 48 HG21 THR 48 7.317 4.378 1.024 216 HG22 THR 48 HG22 THR 48 5.720 4.651 1.735 217 HG23 THR 48 HG23 THR 48 5.961 4.961 0.024 218 H VAL 49 H VAL 49 7.278 5.547 -1.327 219 HA VAL 49 HA VAL 49 7.806 6.840 -3.707 220 HB VAL 49 HB VAL 49 5.371 5.121 -3.046 221 HG11 VAL 49 HG11 VAL 49 5.432 4.464 -5.445 222 HG12 VAL 49 HG12 VAL 49 4.998 6.157 -5.223 223 HG13 VAL 49 HG13 VAL 49 6.640 5.731 -5.745 224 HG21 VAL 49 HG21 VAL 49 8.106 4.317 -4.104 225 HG22 VAL 49 HG22 VAL 49 7.458 3.950 -2.489 226 HG23 VAL 49 HG23 VAL 49 6.698 3.253 -3.915 227 H LYS 50 H LYS 50 4.852 7.142 -1.780 228 HA LYS 50 HA LYS 50 3.510 8.861 -3.644 229 HB2 LYS 50 HB2 LYS 50 1.830 9.171 -1.833 230 HB3 LYS 50 HB3 LYS 50 2.243 7.475 -2.086 231 HG2 LYS 50 HG2 LYS 50 3.755 7.537 -0.109 232 HG3 LYS 50 HG3 LYS 50 3.353 9.244 0.145 233 HD2 LYS 50 HD2 LYS 50 1.023 8.680 0.589 234 HD3 LYS 50 HD3 LYS 50 1.325 6.969 0.205 235 HE2 LYS 50 HE2 LYS 50 2.915 6.783 2.070 236 HE3 LYS 50 HE3 LYS 50 2.760 8.505 2.423 237 HZ1 LYS 50 HZ1 LYS 50 0.549 6.516 2.649 238 HZ2 LYS 50 HZ2 LYS 50 1.362 7.165 3.905 239 HZ3 LYS 50 HZ3 LYS 50 0.407 8.110 2.983 240 H GLU 51 H GLU 51 5.724 9.616 -1.079 241 HA GLU 51 HA GLU 51 5.150 12.508 -1.224 242 HB2 GLU 51 HB2 GLU 51 7.314 10.920 0.209 243 HB3 GLU 51 HB3 GLU 51 7.099 12.668 0.326 244 HG2 GLU 51 HG2 GLU 51 5.120 10.536 1.232 245 HG3 GLU 51 HG3 GLU 51 6.178 11.476 2.265 246 H VAL 52 H VAL 52 7.805 10.260 -2.387 247 HA VAL 52 HA VAL 52 9.306 12.398 -3.636 248 HB VAL 52 HB VAL 52 10.232 10.792 -5.145 249 HG11 VAL 52 HG11 VAL 52 11.466 9.415 -3.510 250 HG12 VAL 52 HG12 VAL 52 11.290 11.074 -2.957 251 HG13 VAL 52 HG13 VAL 52 10.254 9.782 -2.275 252 HG21 VAL 52 HG21 VAL 52 9.946 8.375 -4.885 253 HG22 VAL 52 HG22 VAL 52 8.644 8.679 -3.728 254 HG23 VAL 52 HG23 VAL 52 8.449 9.107 -5.456 255 H MET 53 H MET 53 6.802 10.392 -4.992 256 HA MET 53 HA MET 53 6.896 11.706 -7.559 257 HB2 MET 53 HB2 MET 53 5.094 10.416 -8.234 258 HB3 MET 53 HB3 MET 53 5.983 9.400 -7.105 259 HG2 MET 53 HG2 MET 53 4.330 10.072 -5.320 260 HG3 MET 53 HG3 MET 53 3.403 10.927 -6.550 261 HE1 MET 53 HE1 MET 53 2.258 9.821 -8.610 262 HE2 MET 53 HE2 MET 53 3.675 8.872 -9.113 263 HE3 MET 53 HE3 MET 53 2.116 8.067 -8.869 264 H HIS 54 H HIS 54 5.178 12.588 -4.638 265 HA HIS 54 HA HIS 54 3.397 14.587 -5.738 266 HB2 HIS 54 HB2 HIS 54 2.806 13.985 -3.579 267 HB3 HIS 54 HB3 HIS 54 4.447 13.755 -3.067 268 HD2 HIS 54 HD2 HIS 54 5.400 15.417 -1.448 269 HE1 HIS 54 HE1 HIS 54 3.194 18.885 -2.536 270 HE2 HIS 54 HE2 HIS 54 4.953 17.957 -0.949 271 H TYR 55 H TYR 55 6.528 15.065 -3.984 272 HA TYR 55 HA TYR 55 7.057 17.642 -4.827 273 HB2 TYR 55 HB2 TYR 55 9.028 15.400 -4.339 274 HB3 TYR 55 HB3 TYR 55 9.419 17.118 -4.385 275 HD1 TYR 55 HD2 TYR 55 7.864 18.629 -2.764 276 HD2 TYR 55 HD1 TYR 55 8.811 14.476 -2.224 277 HE1 TYR 55 HE2 TYR 55 7.343 18.843 -0.334 278 HE2 TYR 55 HE1 TYR 55 8.298 14.679 0.214 279 HH TYR 55 HH TYR 55 7.613 16.067 1.918 280 H LEU 56 H LEU 56 7.823 14.637 -6.685 281 HA LEU 56 HA LEU 56 9.203 16.014 -8.775 282 HB2 LEU 56 HB2 LEU 56 8.893 13.383 -8.153 283 HB3 LEU 56 HB3 LEU 56 7.684 13.506 -9.420 284 HG LEU 56 HG LEU 56 9.570 14.554 -10.873 285 HD11 LEU 56 HD11 LEU 56 11.888 13.811 -10.115 286 HD12 LEU 56 HD12 LEU 56 11.204 15.119 -9.147 287 HD13 LEU 56 HD13 LEU 56 11.202 13.449 -8.530 288 HD21 LEU 56 HD21 LEU 56 9.876 11.685 -9.886 289 HD22 LEU 56 HD22 LEU 56 8.784 12.252 -11.175 290 HD23 LEU 56 HD23 LEU 56 10.530 12.345 -11.404 291 H GLY 57 H GLY 57 5.722 15.113 -8.508 292 HA2 GLY 57 HA2 GLY 57 4.809 16.077 -11.004 293 HA3 GLY 57 HA3 GLY 57 3.870 16.027 -9.509 294 H GLN 58 H GLN 58 5.067 17.877 -7.865 295 HA GLN 58 HA GLN 58 4.346 20.359 -9.142 296 HB2 GLN 58 HB2 GLN 58 4.620 21.464 -7.114 297 HB3 GLN 58 HB3 GLN 58 3.866 19.902 -6.808 298 HG2 GLN 58 HG2 GLN 58 6.146 19.055 -6.108 299 HG3 GLN 58 HG3 GLN 58 6.746 20.710 -6.236 300 HE21 GLN 58 HE22 GLN 58 7.288 20.473 -3.856 301 HE22 GLN 58 HE21 GLN 58 5.982 20.566 -2.693 302 H TYR 59 H TYR 59 7.584 18.879 -8.609 303 HA TYR 59 HA TYR 59 9.105 21.136 -9.493 304 HB2 TYR 59 HB2 TYR 59 10.118 19.054 -8.580 305 HB3 TYR 59 HB3 TYR 59 9.616 18.178 -10.000 306 HD1 TYR 59 HD1 TYR 59 10.592 18.818 -12.294 307 HD2 TYR 59 HD2 TYR 59 12.199 20.334 -8.591 308 HE1 TYR 59 HE1 TYR 59 12.793 19.167 -13.387 309 HE2 TYR 59 HE2 TYR 59 14.381 20.692 -9.694 310 HH TYR 59 HH TYR 59 15.036 19.731 -13.085 311 H ILE 60 H ILE 60 7.653 18.472 -11.464 312 HA ILE 60 HA ILE 60 8.349 19.521 -14.030 313 HB ILE 60 HB ILE 60 5.929 17.893 -13.167 314 HG12 ILE 60 HG12 ILE 60 8.374 16.760 -14.567 315 HG13 ILE 60 HG13 ILE 60 8.382 16.952 -12.827 316 HG21 ILE 60 HG21 ILE 60 5.849 17.157 -15.577 317 HG22 ILE 60 HG22 ILE 60 5.464 18.858 -15.362 318 HG23 ILE 60 HG23 ILE 60 7.072 18.390 -15.952 319 HD11 ILE 60 HD11 ILE 60 6.224 15.640 -12.697 320 HD12 ILE 60 HD12 ILE 60 6.420 15.264 -14.420 321 HD13 ILE 60 HD13 ILE 60 7.635 14.727 -13.239 322 H MET 61 H MET 61 5.425 20.134 -12.015 323 HA MET 61 HA MET 61 4.214 21.884 -13.916 324 HB2 MET 61 HB2 MET 61 3.089 20.622 -12.080 325 HB3 MET 61 HB3 MET 61 3.782 21.745 -10.912 326 HG2 MET 61 HG2 MET 61 1.427 22.252 -11.495 327 HG3 MET 61 HG3 MET 61 2.524 23.587 -11.802 328 HE1 MET 61 HE1 MET 61 0.717 20.997 -15.236 329 HE2 MET 61 HE2 MET 61 2.126 20.451 -14.309 330 HE3 MET 61 HE3 MET 61 0.540 20.599 -13.515 331 H VAL 62 H VAL 62 6.528 22.616 -11.296 332 HA VAL 62 HA VAL 62 6.418 25.506 -11.651 333 HB VAL 62 HB VAL 62 8.342 23.683 -10.264 334 HG11 VAL 62 HG11 VAL 62 9.342 25.721 -9.226 335 HG12 VAL 62 HG12 VAL 62 9.699 25.607 -10.947 336 HG13 VAL 62 HG13 VAL 62 8.438 26.727 -10.379 337 HG21 VAL 62 HG21 VAL 62 6.075 24.063 -9.246 338 HG22 VAL 62 HG22 VAL 62 7.397 24.672 -8.242 339 HG23 VAL 62 HG23 VAL 62 6.418 25.799 -9.211 340 H LYS 63 H LYS 63 8.765 22.998 -12.716 341 HA LYS 63 HA LYS 63 10.305 24.790 -14.406 342 HB2 LYS 63 HB2 LYS 63 9.996 21.754 -14.603 343 HB3 LYS 63 HB3 LYS 63 11.211 22.726 -15.411 344 HG2 LYS 63 HG2 LYS 63 11.086 21.930 -12.520 345 HG3 LYS 63 HG3 LYS 63 12.371 21.753 -13.708 346 HD2 LYS 63 HD2 LYS 63 12.559 24.346 -13.608 347 HD3 LYS 63 HD3 LYS 63 11.504 24.208 -12.183 348 HE2 LYS 63 HE2 LYS 63 13.701 24.339 -11.343 349 HE3 LYS 63 HE3 LYS 63 13.174 22.669 -11.132 350 HZ1 LYS 63 HZ1 LYS 63 14.521 22.067 -13.097 351 HZ2 LYS 63 HZ2 LYS 63 14.940 23.634 -13.345 352 HZ3 LYS 63 HZ3 LYS 63 15.453 22.838 -12.012 353 H GLN 64 H GLN 64 7.267 23.247 -14.898 354 HA GLN 64 HA GLN 64 5.818 23.110 -16.564 355 HB2 GLN 64 HB2 GLN 64 5.176 25.206 -17.608 356 HB3 GLN 64 HB3 GLN 64 5.480 25.321 -15.885 357 HG2 GLN 64 HG2 GLN 64 7.831 26.244 -16.538 358 HG3 GLN 64 HG3 GLN 64 7.156 26.441 -18.155 359 HE21 GLN 64 HE22 GLN 64 6.920 27.386 -14.712 360 HE22 GLN 64 HE21 GLN 64 6.015 28.870 -15.013 361 H LEU 65 H LEU 65 7.855 21.649 -17.179 362 HA LEU 65 HA LEU 65 8.729 22.222 -19.925 363 HB2 LEU 65 HB2 LEU 65 10.245 21.809 -17.884 364 HB3 LEU 65 HB3 LEU 65 9.815 20.115 -18.029 365 HG LEU 65 HG LEU 65 10.903 20.035 -20.266 366 HD11 LEU 65 HD11 LEU 65 11.432 22.999 -19.833 367 HD12 LEU 65 HD12 LEU 65 12.245 21.990 -21.051 368 HD13 LEU 65 HD13 LEU 65 10.508 22.253 -21.160 369 HD21 LEU 65 HD21 LEU 65 12.248 19.773 -18.147 370 HD22 LEU 65 HD22 LEU 65 13.200 20.382 -19.520 371 HD23 LEU 65 HD23 LEU 65 12.663 21.492 -18.240 372 H TYR 66 H TYR 66 6.055 21.095 -19.217 373 HA TYR 66 HA TYR 66 5.968 18.543 -20.705 374 HB2 TYR 66 HB2 TYR 66 3.505 18.746 -20.216 375 HB3 TYR 66 HB3 TYR 66 4.546 18.580 -18.817 376 HD1 TYR 66 HD2 TYR 66 2.656 21.107 -20.845 377 HD2 TYR 66 HD1 TYR 66 4.562 20.208 -17.085 378 HE1 TYR 66 HE2 TYR 66 1.723 23.203 -19.871 379 HE2 TYR 66 HE1 TYR 66 3.593 22.284 -16.100 380 HH TYR 66 HH TYR 66 2.290 24.158 -16.466 381 H ASP 67 H ASP 67 4.316 18.386 -22.504 382 HA ASP 67 HA ASP 67 4.946 20.380 -24.524 383 HB2 ASP 67 HB2 ASP 67 4.370 17.814 -24.799 384 HB3 ASP 67 HB3 ASP 67 2.718 18.378 -24.833 385 H GLN 68 H GLN 68 3.760 22.246 -25.146 386 HA GLN 68 HA GLN 68 1.594 23.275 -23.877 387 HB2 GLN 68 HB2 GLN 68 3.291 24.081 -25.704 388 HB3 GLN 68 HB3 GLN 68 2.139 23.478 -26.891 389 HG2 GLN 68 HG2 GLN 68 1.219 25.276 -24.666 390 HG3 GLN 68 HG3 GLN 68 2.211 25.947 -25.952 391 HE21 GLN 68 HE22 GLN 68 -0.786 23.803 -25.764 392 HE22 GLN 68 HE21 GLN 68 -1.564 24.657 -27.090 393 H GLN 69 H GLN 69 1.551 20.945 -26.649 394 HA GLN 69 HA GLN 69 -1.363 21.200 -26.946 395 HB2 GLN 69 HB2 GLN 69 0.572 19.307 -28.323 396 HB3 GLN 69 HB3 GLN 69 -1.069 19.685 -28.821 397 HG2 GLN 69 HG2 GLN 69 1.313 21.590 -28.847 398 HG3 GLN 69 HG3 GLN 69 0.575 20.821 -30.237 399 HE21 GLN 69 HE22 GLN 69 0.913 23.607 -30.146 400 HE22 GLN 69 HE21 GLN 69 -0.677 24.346 -30.028 401 H GLU 70 H GLU 70 0.649 19.419 -24.935 402 HA GLU 70 HA GLU 70 -1.530 17.798 -23.931 403 HB2 GLU 70 HB2 GLU 70 -0.248 15.595 -24.187 404 HB3 GLU 70 HB3 GLU 70 -1.239 16.191 -25.506 405 HG2 GLU 70 HG2 GLU 70 0.814 17.050 -26.668 406 HG3 GLU 70 HG3 GLU 70 1.797 16.357 -25.378 407 H GLN 71 H GLN 71 -1.161 18.807 -22.038 408 HA GLN 71 HA GLN 71 1.246 18.983 -20.579 409 HB2 GLN 71 HB2 GLN 71 -1.616 18.681 -19.555 410 HB3 GLN 71 HB3 GLN 71 -0.232 19.187 -18.603 411 HG2 GLN 71 HG2 GLN 71 -1.266 21.201 -19.093 412 HG3 GLN 71 HG3 GLN 71 0.061 21.138 -20.242 413 HE21 GLN 71 HE21 GLN 71 -1.565 22.945 -21.072 414 HE22 GLN 71 HE22 GLN 71 -2.706 22.361 -22.274 415 H HIS 72 H HIS 72 -0.628 16.162 -21.265 416 HA HIS 72 HA HIS 72 0.110 14.548 -19.037 417 HB2 HIS 72 HB2 HIS 72 -1.287 13.078 -19.997 418 HB3 HIS 72 HB3 HIS 72 -1.618 14.287 -21.207 419 HD2 HIS 72 HD2 HIS 72 0.023 10.904 -20.722 420 HE1 HIS 72 HE1 HIS 72 1.034 12.033 -24.704 421 HE2 HIS 72 HE2 HIS 72 1.073 10.130 -23.018 422 H MET 73 H MET 73 1.885 15.530 -21.867 423 HA MET 73 HA MET 73 3.932 13.404 -21.569 424 HB2 MET 73 HB2 MET 73 2.928 13.752 -23.790 425 HB3 MET 73 HB3 MET 73 3.444 15.443 -23.769 426 HG2 MET 73 HG2 MET 73 4.956 14.101 -25.116 427 HG3 MET 73 HG3 MET 73 5.801 14.744 -23.712 428 HE1 MET 73 HE1 MET 73 7.029 12.453 -25.532 429 HE2 MET 73 HE2 MET 73 7.788 13.183 -24.101 430 HE3 MET 73 HE3 MET 73 7.703 11.412 -24.258 431 H VAL 74 H VAL 74 5.936 13.839 -20.786 432 HA VAL 74 HA VAL 74 6.595 16.648 -19.992 433 HB VAL 74 HB VAL 74 7.239 14.071 -18.515 434 HG11 VAL 74 HG11 VAL 74 8.936 15.765 -18.090 435 HG12 VAL 74 HG12 VAL 74 7.692 17.008 -17.828 436 HG13 VAL 74 HG13 VAL 74 7.880 15.656 -16.688 437 HG21 VAL 74 HG21 VAL 74 4.831 14.559 -18.336 438 HG22 VAL 74 HG22 VAL 74 5.639 14.916 -16.813 439 HG23 VAL 74 HG23 VAL 74 5.185 16.246 -17.906 440 H TYR 75 H TYR 75 8.525 17.443 -20.561 441 HA TYR 75 HA TYR 75 10.658 15.640 -21.628 442 HB2 TYR 75 HB2 TYR 75 9.989 18.525 -22.315 443 HB3 TYR 75 HB3 TYR 75 11.454 17.688 -22.813 444 HD1 TYR 75 HD2 TYR 75 11.245 15.458 -24.019 445 HD2 TYR 75 HD1 TYR 75 7.973 18.242 -23.632 446 HE1 TYR 75 HE2 TYR 75 10.017 14.247 -25.779 447 HE2 TYR 75 HE1 TYR 75 6.770 17.081 -25.479 448 HH TYR 75 HH TYR 75 6.819 15.364 -27.020 449 H CYS 76 H CYS 76 12.778 16.172 -21.134 450 HA CYS 76 HA CYS 76 13.372 17.923 -18.801 451 HB2 CYS 76 HB2 CYS 76 14.022 14.985 -19.036 452 HB3 CYS 76 HB3 CYS 76 14.533 16.049 -17.719 453 HG CYS 76 HG CYS 76 11.619 16.646 -17.713 454 H GLY 77 H GLY 77 14.060 18.156 -21.686 455 HA2 GLY 77 HA2 GLY 77 16.574 17.063 -22.295 456 HA3 GLY 77 HA3 GLY 77 15.881 18.484 -23.073 457 H GLY 78 H GLY 78 18.477 17.377 -21.368 458 HA2 GLY 78 HA2 GLY 78 20.323 18.340 -20.427 459 HA3 GLY 78 HA3 GLY 78 19.720 19.930 -20.900 460 H ASP 79 H ASP 79 17.525 18.101 -18.802 461 HA ASP 79 HA ASP 79 18.111 20.067 -16.678 462 HB2 ASP 79 HB2 ASP 79 15.829 19.873 -17.761 463 HB3 ASP 79 HB3 ASP 79 15.670 18.304 -16.968 464 H LEU 80 H LEU 80 18.261 19.515 -14.529 465 HA LEU 80 HA LEU 80 19.736 17.181 -13.857 466 HB2 LEU 80 HB2 LEU 80 18.328 19.287 -12.188 467 HB3 LEU 80 HB3 LEU 80 19.146 17.887 -11.504 468 HG LEU 80 HG LEU 80 21.274 18.523 -12.584 469 HD11 LEU 80 HD11 LEU 80 20.588 19.973 -14.418 470 HD12 LEU 80 HD12 LEU 80 19.794 21.098 -13.282 471 HD13 LEU 80 HD13 LEU 80 21.560 20.908 -13.291 472 HD21 LEU 80 HD21 LEU 80 20.018 20.604 -10.748 473 HD22 LEU 80 HD22 LEU 80 20.804 19.087 -10.246 474 HD23 LEU 80 HD23 LEU 80 21.760 20.361 -11.007 475 H LEU 81 H LEU 81 16.259 17.719 -14.028 476 HA LEU 81 HA LEU 81 15.450 15.332 -12.593 477 HB2 LEU 81 HB2 LEU 81 13.937 17.165 -12.960 478 HB3 LEU 81 HB3 LEU 81 14.123 17.071 -14.710 479 HG LEU 81 HG LEU 81 13.010 14.806 -14.659 480 HD11 LEU 81 HD11 LEU 81 11.781 14.141 -12.639 481 HD12 LEU 81 HD12 LEU 81 13.514 14.213 -12.291 482 HD13 LEU 81 HD13 LEU 81 12.457 15.528 -11.748 483 HD21 LEU 81 HD21 LEU 81 11.726 16.940 -15.051 484 HD22 LEU 81 HD22 LEU 81 10.770 15.622 -14.356 485 HD23 LEU 81 HD23 LEU 81 11.326 16.949 -13.323 486 H GLY 82 H GLY 82 16.374 15.955 -15.993 487 HA2 GLY 82 HA2 GLY 82 15.728 13.277 -16.985 488 HA3 GLY 82 HA3 GLY 82 16.745 14.490 -17.775 489 H GLU 83 H GLU 83 18.688 14.903 -15.638 490 HA GLU 83 HA GLU 83 20.405 12.626 -15.878 491 HB2 GLU 83 HB2 GLU 83 21.251 14.835 -15.646 492 HB3 GLU 83 HB3 GLU 83 20.232 15.151 -14.254 493 HG2 GLU 83 HG2 GLU 83 22.470 14.965 -13.558 494 HG3 GLU 83 HG3 GLU 83 21.460 13.703 -12.859 495 H LEU 84 H LEU 84 18.139 13.674 -13.285 496 HA LEU 84 HA LEU 84 18.826 11.691 -11.386 497 HB2 LEU 84 HB2 LEU 84 17.599 13.779 -10.891 498 HB3 LEU 84 HB3 LEU 84 16.228 13.209 -11.836 499 HG LEU 84 HG LEU 84 15.919 11.328 -10.189 500 HD11 LEU 84 HD11 LEU 84 16.982 11.519 -7.985 501 HD12 LEU 84 HD12 LEU 84 18.212 11.270 -9.228 502 HD13 LEU 84 HD13 LEU 84 17.949 12.896 -8.547 503 HD21 LEU 84 HD21 LEU 84 14.937 12.761 -8.448 504 HD22 LEU 84 HD22 LEU 84 15.853 14.158 -9.059 505 HD23 LEU 84 HD23 LEU 84 14.596 13.399 -10.062 506 H LEU 85 H LEU 85 16.237 11.671 -13.881 507 HA LEU 85 HA LEU 85 15.454 8.913 -13.177 508 HB2 LEU 85 HB2 LEU 85 14.390 11.063 -15.005 509 HB3 LEU 85 HB3 LEU 85 13.965 9.390 -15.331 510 HG LEU 85 HG LEU 85 13.017 9.094 -13.111 511 HD11 LEU 85 HD11 LEU 85 14.301 10.606 -11.726 512 HD12 LEU 85 HD12 LEU 85 13.737 12.009 -12.658 513 HD13 LEU 85 HD13 LEU 85 12.608 11.081 -11.640 514 HD21 LEU 85 HD21 LEU 85 11.971 11.622 -14.448 515 HD22 LEU 85 HD22 LEU 85 11.606 9.965 -14.973 516 HD23 LEU 85 HD23 LEU 85 11.052 10.529 -13.390 517 H GLY 86 H GLY 86 17.691 10.311 -15.451 518 HA2 GLY 86 HA2 GLY 86 19.235 9.196 -16.773 519 HA3 GLY 86 HA3 GLY 86 18.433 7.652 -16.468 520 H ARG 87 H ARG 87 16.150 9.953 -17.421 521 HA ARG 87 HA ARG 87 16.451 9.602 -20.340 522 HB2 ARG 87 HB2 ARG 87 13.933 8.827 -18.772 523 HB3 ARG 87 HB3 ARG 87 13.972 9.068 -20.523 524 HG2 ARG 87 HG2 ARG 87 15.626 7.238 -20.751 525 HG3 ARG 87 HG3 ARG 87 15.520 6.942 -18.996 526 HD2 ARG 87 HD2 ARG 87 13.072 6.563 -19.240 527 HD3 ARG 87 HD3 ARG 87 13.231 6.776 -20.997 528 HE ARG 87 HE ARG 87 15.040 4.744 -20.013 529 HH11 ARG 87 HH11 ARG 87 11.662 5.158 -20.883 530 HH12 ARG 87 HH12 ARG 87 11.439 3.457 -21.175 531 HH21 ARG 87 HH21 ARG 87 14.680 2.590 -20.415 532 HH22 ARG 87 HH22 ARG 87 13.108 2.046 -20.919 533 H GLN 88 H GLN 88 15.620 11.199 -21.579 534 HA GLN 88 HA GLN 88 14.941 13.632 -20.072 535 HB2 GLN 88 HB2 GLN 88 15.910 13.337 -22.907 536 HB3 GLN 88 HB3 GLN 88 15.509 14.878 -22.101 537 HG2 GLN 88 HG2 GLN 88 17.136 14.495 -20.359 538 HG3 GLN 88 HG3 GLN 88 17.540 12.895 -20.996 539 HE21 GLN 88 HE22 GLN 88 18.484 12.835 -23.310 540 HE22 GLN 88 HE21 GLN 88 19.512 14.192 -23.743 541 H SER 89 H SER 89 13.035 11.325 -21.176 542 HA SER 89 HA SER 89 10.805 13.169 -21.062 543 HB2 SER 89 HB2 SER 89 9.656 12.541 -23.086 544 HB3 SER 89 HB3 SER 89 11.212 13.273 -23.471 545 HG SER 89 HG SER 89 12.057 11.214 -23.906 546 H PHE 90 H PHE 90 8.829 12.298 -20.585 547 HA PHE 90 HA PHE 90 8.203 9.492 -20.544 548 HB2 PHE 90 HB2 PHE 90 7.881 9.249 -18.114 549 HB3 PHE 90 HB3 PHE 90 9.562 9.456 -18.523 550 HD1 PHE 90 HD2 PHE 90 6.639 10.996 -16.858 551 HD2 PHE 90 HD1 PHE 90 10.817 11.447 -17.843 552 HE1 PHE 90 HE2 PHE 90 6.842 12.820 -15.186 553 HE2 PHE 90 HE1 PHE 90 11.013 13.261 -16.163 554 HZ PHE 90 HZ PHE 90 9.036 13.950 -14.839 555 H SER 91 H SER 91 5.920 9.296 -19.262 556 HA SER 91 HA SER 91 4.395 11.837 -19.403 557 HB2 SER 91 HB2 SER 91 2.785 11.056 -20.917 558 HB3 SER 91 HB3 SER 91 4.321 10.592 -21.656 559 HG SER 91 HG SER 91 3.208 8.733 -21.728 560 H VAL 92 H VAL 92 2.113 11.532 -18.574 561 HA VAL 92 HA VAL 92 2.093 9.879 -16.167 562 HB VAL 92 HB VAL 92 -0.161 10.671 -15.773 563 HG11 VAL 92 HG11 VAL 92 0.343 13.020 -15.496 564 HG12 VAL 92 HG12 VAL 92 1.805 12.076 -15.167 565 HG13 VAL 92 HG13 VAL 92 1.636 12.951 -16.705 566 HG21 VAL 92 HG21 VAL 92 -1.236 12.297 -17.277 567 HG22 VAL 92 HG22 VAL 92 0.062 12.070 -18.465 568 HG23 VAL 92 HG23 VAL 92 -1.045 10.731 -18.080 569 H LYS 93 H LYS 93 1.605 8.996 -19.365 570 HA LYS 93 HA LYS 93 -0.075 6.612 -18.676 571 HB2 LYS 93 HB2 LYS 93 0.911 7.699 -21.345 572 HB3 LYS 93 HB3 LYS 93 0.049 6.173 -21.138 573 HG2 LYS 93 HG2 LYS 93 -1.907 7.359 -20.207 574 HG3 LYS 93 HG3 LYS 93 -1.073 8.910 -20.399 575 HD2 LYS 93 HD2 LYS 93 -0.911 8.488 -22.866 576 HD3 LYS 93 HD3 LYS 93 -1.813 6.976 -22.643 577 HE2 LYS 93 HE2 LYS 93 -3.726 8.266 -21.705 578 HE3 LYS 93 HE3 LYS 93 -2.825 9.771 -21.934 579 HZ1 LYS 93 HZ1 LYS 93 -2.828 9.329 -24.340 580 HZ2 LYS 93 HZ2 LYS 93 -3.655 7.934 -24.127 581 HZ3 LYS 93 HZ3 LYS 93 -4.359 9.361 -23.780 582 H ASP 94 H ASP 94 3.207 7.589 -19.370 583 HA ASP 94 HA ASP 94 4.161 4.809 -18.845 584 HB2 ASP 94 HB2 ASP 94 4.316 5.398 -21.238 585 HB3 ASP 94 HB3 ASP 94 5.275 6.821 -20.832 586 HA PRO 95 HA PRO 95 6.124 7.865 -15.890 587 HB2 PRO 95 HB2 PRO 95 5.056 7.163 -13.515 588 HB3 PRO 95 HB3 PRO 95 4.110 8.090 -14.719 589 HG2 PRO 95 HG2 PRO 95 4.109 5.070 -14.304 590 HG3 PRO 95 HG3 PRO 95 2.690 6.165 -14.305 591 HD2 PRO 95 HD2 PRO 95 3.462 4.826 -16.550 592 HD3 PRO 95 HD3 PRO 95 2.825 6.498 -16.621 593 H SER 96 H SER 96 6.330 4.577 -16.471 594 HA SER 96 HA SER 96 7.513 3.271 -14.439 595 HB2 SER 96 HB2 SER 96 8.355 3.076 -17.347 596 HB3 SER 96 HB3 SER 96 8.597 1.843 -16.095 597 HG SER 96 HG SER 96 6.685 1.489 -17.374 598 HA PRO 97 HA PRO 97 12.007 4.815 -15.429 599 HB2 PRO 97 HB2 PRO 97 11.331 7.725 -15.902 600 HB3 PRO 97 HB3 PRO 97 12.741 6.785 -16.490 601 HG2 PRO 97 HG2 PRO 97 10.678 7.220 -18.162 602 HG3 PRO 97 HG3 PRO 97 11.344 5.554 -18.035 603 HD2 PRO 97 HD2 PRO 97 8.918 6.711 -16.643 604 HD3 PRO 97 HD3 PRO 97 9.058 5.180 -17.557 605 H LEU 98 H LEU 98 9.545 6.730 -13.718 606 HA LEU 98 HA LEU 98 11.226 7.641 -11.521 607 HB2 LEU 98 HB2 LEU 98 9.080 8.635 -12.294 608 HB3 LEU 98 HB3 LEU 98 8.205 7.206 -11.773 609 HG LEU 98 HG LEU 98 9.719 9.074 -9.906 610 HD11 LEU 98 HD11 LEU 98 7.536 10.001 -9.346 611 HD12 LEU 98 HD12 LEU 98 7.796 10.144 -11.089 612 HD13 LEU 98 HD13 LEU 98 6.728 8.876 -10.466 613 HD21 LEU 98 HD21 LEU 98 9.372 6.900 -8.813 614 HD22 LEU 98 HD22 LEU 98 8.229 8.055 -8.150 615 HD23 LEU 98 HD23 LEU 98 7.679 6.863 -9.347 616 H TYR 99 H TYR 99 8.881 4.961 -11.908 617 HA TYR 99 HA TYR 99 9.404 3.798 -9.365 618 HB2 TYR 99 HB2 TYR 99 8.228 2.557 -11.884 619 HB3 TYR 99 HB3 TYR 99 8.189 1.829 -10.282 620 HD1 TYR 99 HD2 TYR 99 7.018 3.064 -8.373 621 HD2 TYR 99 HD1 TYR 99 6.534 4.157 -12.521 622 HE1 TYR 99 HE2 TYR 99 4.953 4.321 -7.802 623 HE2 TYR 99 HE1 TYR 99 4.465 5.411 -11.940 624 HH TYR 99 HH TYR 99 3.211 5.594 -8.588 625 H ASP 100 H ASP 100 10.879 3.149 -12.565 626 HA ASP 100 HA ASP 100 12.563 1.022 -11.701 627 HB2 ASP 100 HB2 ASP 100 12.051 1.772 -14.061 628 HB3 ASP 100 HB3 ASP 100 13.160 3.114 -13.829 629 H MET 101 H MET 101 12.912 4.524 -11.466 630 HA MET 101 HA MET 101 15.619 4.602 -10.486 631 HB2 MET 101 HB2 MET 101 15.191 6.729 -10.928 632 HB3 MET 101 HB3 MET 101 13.456 6.464 -10.961 633 HG2 MET 101 HG2 MET 101 13.449 6.665 -8.445 634 HG3 MET 101 HG3 MET 101 15.114 7.242 -8.563 635 HE1 MET 101 HE1 MET 101 11.526 9.713 -8.321 636 HE2 MET 101 HE2 MET 101 11.445 7.941 -8.523 637 HE3 MET 101 HE3 MET 101 12.440 8.652 -7.233 638 H LEU 102 H LEU 102 12.455 4.407 -8.736 639 HA LEU 102 HA LEU 102 13.974 4.184 -6.217 640 HB2 LEU 102 HB2 LEU 102 11.876 4.389 -5.064 641 HB3 LEU 102 HB3 LEU 102 12.267 5.718 -6.157 642 HG LEU 102 HG LEU 102 10.603 4.685 -7.803 643 HD11 LEU 102 HD11 LEU 102 9.902 3.069 -5.328 644 HD12 LEU 102 HD12 LEU 102 8.761 3.356 -6.658 645 HD13 LEU 102 HD13 LEU 102 10.238 2.454 -6.961 646 HD21 LEU 102 HD21 LEU 102 8.704 5.702 -6.623 647 HD22 LEU 102 HD22 LEU 102 9.650 5.704 -5.106 648 HD23 LEU 102 HD23 LEU 102 10.163 6.686 -6.495 649 H ARG 103 H ARG 103 12.350 1.828 -8.230 650 HA ARG 103 HA ARG 103 11.915 -0.099 -6.227 651 HB2 ARG 103 HB2 ARG 103 11.822 -1.765 -8.020 652 HB3 ARG 103 HB3 ARG 103 11.036 -0.269 -8.502 653 HG2 ARG 103 HG2 ARG 103 12.091 -0.851 -10.414 654 HG3 ARG 103 HG3 ARG 103 13.219 0.312 -9.722 655 HD2 ARG 103 HD2 ARG 103 14.727 -1.510 -9.050 656 HD3 ARG 103 HD3 ARG 103 13.530 -2.710 -9.594 657 HE ARG 103 HE ARG 103 14.136 -0.924 -11.760 658 HH11 ARG 103 HH11 ARG 103 15.773 -3.537 -10.055 659 HH12 ARG 103 HH12 ARG 103 16.772 -3.880 -11.441 660 HH21 ARG 103 HH21 ARG 103 15.322 -1.379 -13.359 661 HH22 ARG 103 HH22 ARG 103 16.530 -2.670 -13.332 662 H LYS 104 H LYS 104 14.784 0.825 -7.749 663 HA LYS 104 HA LYS 104 16.694 -1.144 -6.865 664 HB2 LYS 104 HB2 LYS 104 17.021 0.388 -8.724 665 HB3 LYS 104 HB3 LYS 104 16.831 1.790 -7.662 666 HG2 LYS 104 HG2 LYS 104 18.939 1.395 -6.593 667 HG3 LYS 104 HG3 LYS 104 19.102 -0.201 -7.349 668 HD2 LYS 104 HD2 LYS 104 20.519 1.557 -8.409 669 HD3 LYS 104 HD3 LYS 104 19.413 0.760 -9.533 670 HE2 LYS 104 HE2 LYS 104 17.872 2.678 -9.469 671 HE3 LYS 104 HE3 LYS 104 18.856 3.467 -8.230 672 HZ1 LYS 104 HZ1 LYS 104 19.364 4.344 -10.445 673 HZ2 LYS 104 HZ2 LYS 104 20.685 3.593 -9.854 674 HZ3 LYS 104 HZ3 LYS 104 19.777 2.865 -11.001 675 H ASN 105 H ASN 105 15.170 1.588 -5.209 676 HA ASN 105 HA ASN 105 17.056 1.316 -2.911 677 HB2 ASN 105 HB2 ASN 105 14.977 3.416 -3.609 678 HB3 ASN 105 HB3 ASN 105 15.939 3.403 -2.124 679 HD21 ASN 105 HD22 ASN 105 18.378 3.453 -2.388 680 HD22 ASN 105 HD21 ASN 105 18.993 4.325 -3.780 681 H LEU 106 H LEU 106 13.438 1.279 -3.377 682 HA LEU 106 HA LEU 106 13.374 -0.768 -1.217 683 HB2 LEU 106 HB2 LEU 106 11.473 0.074 -0.211 684 HB3 LEU 106 HB3 LEU 106 12.547 1.450 -0.361 685 HG LEU 106 HG LEU 106 10.189 0.893 -2.224 686 HD11 LEU 106 HD11 LEU 106 8.944 2.557 -0.999 687 HD12 LEU 106 HD12 LEU 106 9.453 1.271 0.105 688 HD13 LEU 106 HD13 LEU 106 10.320 2.823 0.098 689 HD21 LEU 106 HD21 LEU 106 11.760 2.404 -3.290 690 HD22 LEU 106 HD22 LEU 106 10.375 3.339 -2.743 691 HD23 LEU 106 HD23 LEU 106 11.890 3.385 -1.811 692 H VAL 107 H VAL 107 12.007 -2.509 -1.478 693 HA VAL 107 HA VAL 107 10.881 -3.002 -4.160 694 HB VAL 107 HB VAL 107 10.723 -4.688 -1.630 695 HG11 VAL 107 HG11 VAL 107 8.876 -5.226 -3.183 696 HG12 VAL 107 HG12 VAL 107 10.029 -5.351 -4.533 697 HG13 VAL 107 HG13 VAL 107 10.082 -6.513 -3.191 698 HG21 VAL 107 HG21 VAL 107 12.510 -4.921 -4.096 699 HG22 VAL 107 HG22 VAL 107 13.044 -4.494 -2.456 700 HG23 VAL 107 HG23 VAL 107 12.406 -6.108 -2.777 701 H THR 108 H THR 108 8.930 -2.272 -4.760 702 HA THR 108 HA THR 108 6.682 -1.937 -2.894 703 HB THR 108 HB THR 108 8.218 -0.033 -2.428 704 HG1 THR 108 HG1 THR 108 6.199 0.419 -1.908 705 HG21 THR 108 HG21 THR 108 7.480 1.041 -5.169 706 HG22 THR 108 HG22 THR 108 8.540 1.759 -3.940 707 HG23 THR 108 HG23 THR 108 9.054 0.304 -4.790 708 H LEU 109 H LEU 109 5.098 -0.276 -4.134 709 HA LEU 109 HA LEU 109 4.129 -1.827 -6.438 710 HB2 LEU 109 HB2 LEU 109 2.980 0.618 -5.033 711 HB3 LEU 109 HB3 LEU 109 2.144 -0.351 -6.239 712 HG LEU 109 HG LEU 109 3.003 -1.323 -3.476 713 HD11 LEU 109 HD11 LEU 109 0.251 -0.692 -4.620 714 HD12 LEU 109 HD12 LEU 109 0.598 -1.331 -2.996 715 HD13 LEU 109 HD13 LEU 109 1.142 0.295 -3.439 716 HD21 LEU 109 HD21 LEU 109 1.591 -3.305 -3.987 717 HD22 LEU 109 HD22 LEU 109 1.389 -2.724 -5.655 718 HD23 LEU 109 HD23 LEU 109 2.994 -3.207 -5.053 719 H ALA 110 H ALA 110 3.406 -0.881 -8.417 720 HA ALA 110 HA ALA 110 4.411 1.726 -9.285 721 HB1 ALA 110 HB1 ALA 110 5.628 0.818 -11.204 722 HB2 ALA 110 HB2 ALA 110 6.349 0.212 -9.697 723 HB3 ALA 110 HB3 ALA 110 5.288 -0.841 -10.671 724 H THR 111 H THR 111 3.821 2.009 -11.726 725 HA THR 111 HA THR 111 1.395 0.573 -12.571 726 HB THR 111 HB THR 111 0.757 2.256 -10.831 727 HG1 THR 111 HG1 THR 111 -0.813 1.533 -12.213 728 HG21 THR 111 HG21 THR 111 2.219 4.147 -11.545 729 HG22 THR 111 HG22 THR 111 1.229 4.341 -13.009 730 HG23 THR 111 HG23 THR 111 0.513 4.593 -11.406 731 HD1 49H 200 HD1 49H 200 1.721 14.129 -13.351 732 HD2 49H 200 HD2 49H 200 2.172 12.679 -9.317 733 HD3 49H 200 HD3 49H 200 0.538 11.407 -13.103 734 HD4 49H 200 HD4 49H 200 -1.124 11.022 -9.153 735 HD5 49H 200 HD5 49H 200 -2.770 13.601 -14.501 736 HE1 49H 200 HE1 49H 200 4.025 13.411 -13.862 737 HE2 49H 200 HE2 49H 200 4.471 11.947 -9.852 738 HE4 49H 200 HE4 49H 200 -0.504 8.627 -9.128 739 HE5 49H 200 HE5 49H 200 -3.258 14.420 -16.734 740 HE6 49H 200 HE6 49H 200 -0.136 17.318 -16.407 741 HZ2 49H 200 HZ2 49H 200 0.659 7.621 -11.082 742 HM11 49H 200 HM11 49H 200 -3.123 16.646 -19.691 743 HM12 49H 200 HM12 49H 200 -3.058 15.006 -18.992 744 HM13 49H 200 HM13 49H 200 -4.044 16.279 -18.208 745 HM21 49H 200 HM21 49H 200 1.933 15.858 -16.363 746 HM22 49H 200 HM22 49H 200 3.423 16.747 -16.056 747 HM23 49H 200 HM23 49H 200 2.985 15.379 -15.025 748 HM31 49H 200 HM31 49H 200 3.601 18.237 -13.885 749 HM32 49H 200 HM32 49H 200 2.217 18.296 -12.793 750 HM33 49H 200 HM33 49H 200 3.157 16.805 -12.940 751 HN1 49H 200 HN1 49H 200 -3.131 20.080 -12.917 752 H21 49H 200 H21 49H 200 -4.007 17.862 -12.794 753 H22 49H 200 H22 49H 200 -2.533 17.654 -13.760 754 H31 49H 200 H31 49H 200 -2.846 17.230 -10.759 755 H32 49H 200 H32 49H 200 -2.591 15.984 -11.953 756 H41 49H 200 H41 49H 200 0.393 18.934 -11.485 757 H42 49H 200 H42 49H 200 -0.670 18.782 -10.069 758 H7 49H 200 H7 49H 200 -1.513 13.003 -10.372 759 H8 49H 200 H8 49H 200 0.340 14.187 -9.868 760 H9 49H 200 H9 49H 200 1.488 18.075 -15.186
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