NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
639814 | 6kcz | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 21.249 -6.136 -3.242 2 HA MET 1 HA MET 1 19.473 -7.064 -1.284 3 HB2 MET 1 HB3 MET 1 21.363 -6.525 0.191 4 HB3 MET 1 HB2 MET 1 21.946 -7.273 -1.295 5 HG2 MET 1 HG3 MET 1 22.281 -4.923 -2.209 6 HG3 MET 1 HG2 MET 1 21.981 -4.336 -0.573 7 HE1 MET 1 HE1 MET 1 24.645 -3.261 -0.197 8 HE2 MET 1 HE2 MET 1 24.177 -3.438 -1.886 9 HE3 MET 1 HE3 MET 1 25.769 -3.979 -1.361 10 H GLY 2 H GLY 2 18.198 -5.992 0.184 11 HA2 GLY 2 HA3 GLY 2 17.737 -3.121 -0.258 12 HA3 GLY 2 HA2 GLY 2 16.811 -4.165 0.821 13 H ASP 3 H ASP 3 17.212 -2.051 2.154 14 HA ASP 3 HA ASP 3 19.160 -2.695 4.195 15 HB2 ASP 3 HB3 ASP 3 20.568 -0.685 3.949 16 HB3 ASP 3 HB2 ASP 3 20.682 -1.705 2.514 17 H SER 4 H SER 4 19.342 -0.470 5.642 18 HA SER 4 HA SER 4 18.101 0.902 7.085 19 HB2 SER 4 HB3 SER 4 17.205 2.649 5.947 20 HB3 SER 4 HB2 SER 4 17.671 1.781 4.487 21 HG SER 4 HG SER 4 15.405 2.391 4.640 22 H ARG 5 H ARG 5 15.822 1.202 8.013 23 HA ARG 5 HA ARG 5 14.504 -1.457 8.065 24 HB2 ARG 5 HB3 ARG 5 13.427 0.671 9.809 25 HB3 ARG 5 HB2 ARG 5 13.933 -0.968 10.218 26 HG2 ARG 5 HG3 ARG 5 16.319 -0.212 10.030 27 HG3 ARG 5 HG2 ARG 5 15.730 1.436 9.801 28 HD2 ARG 5 HD3 ARG 5 14.952 -0.244 12.193 29 HD3 ARG 5 HD2 ARG 5 16.368 0.806 12.195 30 HE ARG 5 HE ARG 5 14.307 2.463 11.359 31 HH11 ARG 5 HH11 ARG 5 13.065 3.672 12.808 32 HH12 ARG 5 HH12 ARG 5 12.915 3.144 14.450 33 HH21 ARG 5 HH21 ARG 5 14.907 0.340 14.008 34 HH22 ARG 5 HH22 ARG 5 13.957 1.256 15.130 35 H ASP 6 H ASP 6 13.533 1.981 7.796 36 HA ASP 6 HA ASP 6 10.839 1.696 7.202 37 HB2 ASP 6 HB3 ASP 6 12.420 3.816 7.226 38 HB3 ASP 6 HB2 ASP 6 12.464 3.549 5.483 39 H LEU 7 H LEU 7 13.575 1.209 5.002 40 HA LEU 7 HA LEU 7 11.904 0.654 2.695 41 HB2 LEU 7 HB3 LEU 7 14.109 1.460 2.278 42 HB3 LEU 7 HB2 LEU 7 14.839 0.276 3.315 43 HG LEU 7 HG LEU 7 15.038 -0.098 0.785 44 HD11 LEU 7 HD11 LEU 7 13.726 -2.530 1.867 45 HD12 LEU 7 HD12 LEU 7 15.050 -1.881 2.831 46 HD13 LEU 7 HD13 LEU 7 15.320 -2.326 1.150 47 HD21 LEU 7 HD21 LEU 7 12.240 -1.180 1.034 48 HD22 LEU 7 HD22 LEU 7 13.176 -0.887 -0.426 49 HD23 LEU 7 HD23 LEU 7 12.535 0.471 0.496 50 H CYS 8 H CYS 8 10.654 -1.146 2.587 51 HA CYS 8 HA CYS 8 11.325 -3.511 4.205 52 HB2 CYS 8 HB3 CYS 8 9.064 -3.611 4.280 53 HB3 CYS 8 HB2 CYS 8 8.917 -2.406 3.003 54 HA PRO 9 HA PRO 9 13.254 -6.032 1.142 55 HB2 PRO 9 HB3 PRO 9 11.876 -8.414 1.453 56 HB3 PRO 9 HB2 PRO 9 13.122 -7.840 2.569 57 HG2 PRO 9 HG3 PRO 9 10.167 -7.553 2.766 58 HG3 PRO 9 HG2 PRO 9 11.297 -8.083 4.015 59 HD2 PRO 9 HD3 PRO 9 10.411 -5.583 4.044 60 HD3 PRO 9 HD2 PRO 9 12.139 -5.888 4.334 61 H HIS 10 H HIS 10 9.794 -6.908 1.123 62 HA HIS 10 HA HIS 10 9.738 -7.439 -1.715 63 HB2 HIS 10 HB3 HIS 10 7.229 -6.758 -0.178 64 HB3 HIS 10 HB2 HIS 10 7.484 -7.973 -1.429 65 HD2 HIS 10 HD2 HIS 10 8.447 -10.447 -0.525 66 HE1 HIS 10 HE1 HIS 10 8.587 -9.460 3.574 67 HE2 HIS 10 HE2 HIS 10 8.796 -11.344 1.895 68 H LEU 11 H LEU 11 9.916 -4.574 -0.032 69 HA LEU 11 HA LEU 11 8.162 -2.875 -1.526 70 HB2 LEU 11 HB3 LEU 11 9.378 -2.376 0.662 71 HB3 LEU 11 HB2 LEU 11 10.807 -2.084 -0.319 72 HG LEU 11 HG LEU 11 8.201 -0.687 -0.921 73 HD11 LEU 11 HD11 LEU 11 10.282 0.042 1.139 74 HD12 LEU 11 HD12 LEU 11 8.537 -0.094 1.353 75 HD13 LEU 11 HD13 LEU 11 9.211 1.244 0.422 76 HD21 LEU 11 HD21 LEU 11 10.394 0.995 -1.397 77 HD22 LEU 11 HD22 LEU 11 9.487 0.100 -2.610 78 HD23 LEU 11 HD23 LEU 11 10.951 -0.594 -1.918 79 H ASP 12 H ASP 12 11.266 -4.277 -2.240 80 HA ASP 12 HA ASP 12 11.770 -2.438 -4.489 81 HB2 ASP 12 HB3 ASP 12 13.660 -3.319 -3.157 82 HB3 ASP 12 HB2 ASP 12 13.216 -4.961 -3.627 83 H SER 13 H SER 13 10.242 -5.482 -3.901 84 HA SER 13 HA SER 13 10.432 -6.422 -6.664 85 HB2 SER 13 HB3 SER 13 10.225 -7.935 -4.647 86 HB3 SER 13 HB2 SER 13 8.561 -7.385 -4.486 87 HG SER 13 HG SER 13 9.626 -9.202 -6.180 88 H ILE 14 H ILE 14 8.304 -4.361 -4.854 89 HA ILE 14 HA ILE 14 6.041 -4.692 -6.708 90 HB ILE 14 HB ILE 14 5.072 -2.806 -5.386 91 HG12 ILE 14 HG13 ILE 14 7.525 -3.055 -3.650 92 HG13 ILE 14 HG12 ILE 14 7.416 -1.838 -4.916 93 HG21 ILE 14 HG21 ILE 14 5.037 -5.310 -4.719 94 HG22 ILE 14 HG22 ILE 14 4.654 -4.132 -3.463 95 HG23 ILE 14 HG23 ILE 14 6.255 -4.869 -3.526 96 HD11 ILE 14 HD11 ILE 14 5.078 -2.022 -3.094 97 HD12 ILE 14 HD12 ILE 14 5.861 -0.602 -3.789 98 HD13 ILE 14 HD13 ILE 14 6.567 -1.401 -2.385 99 H GLY 15 H GLY 15 8.978 -3.017 -6.816 100 HA2 GLY 15 HA3 GLY 15 9.763 -1.299 -8.213 101 HA3 GLY 15 HA2 GLY 15 8.403 -1.699 -9.264 102 H GLU 16 H GLU 16 7.557 0.314 -9.739 103 HA GLU 16 HA GLU 16 6.481 1.870 -7.435 104 HB2 GLU 16 HB3 GLU 16 8.515 3.047 -7.961 105 HB3 GLU 16 HB2 GLU 16 8.186 2.963 -9.690 106 HG2 GLU 16 HG3 GLU 16 7.683 5.201 -8.527 107 HG3 GLU 16 HG2 GLU 16 6.402 4.537 -9.538 108 H VAL 17 H VAL 17 4.333 1.439 -7.904 109 HA VAL 17 HA VAL 17 3.235 1.301 -10.546 110 HB VAL 17 HB VAL 17 2.184 0.405 -8.418 111 HG11 VAL 17 HG11 VAL 17 0.986 1.885 -6.971 112 HG12 VAL 17 HG12 VAL 17 1.238 3.255 -8.053 113 HG13 VAL 17 HG13 VAL 17 2.598 2.575 -7.160 114 HG21 VAL 17 HG21 VAL 17 0.209 2.237 -9.757 115 HG22 VAL 17 HG22 VAL 17 0.022 0.548 -9.288 116 HG23 VAL 17 HG23 VAL 17 0.986 0.965 -10.703 117 H THR 18 H THR 18 1.291 3.007 -11.036 118 HA THR 18 HA THR 18 2.592 5.504 -11.593 119 HB THR 18 HB THR 18 -0.199 5.935 -11.694 120 HG1 THR 18 HG1 THR 18 -0.217 3.745 -13.111 121 HG21 THR 18 HG21 THR 18 1.390 6.667 -13.390 122 HG22 THR 18 HG22 THR 18 0.163 5.649 -14.145 123 HG23 THR 18 HG23 THR 18 1.765 4.994 -13.802 124 H LYS 19 H LYS 19 2.782 7.296 -10.365 125 HA LYS 19 HA LYS 19 2.150 7.376 -7.604 126 HB2 LYS 19 HB3 LYS 19 2.201 9.985 -8.113 127 HB3 LYS 19 HB2 LYS 19 3.679 9.031 -8.221 128 HG2 LYS 19 HG3 LYS 19 2.250 8.876 -10.738 129 HG3 LYS 19 HG2 LYS 19 2.455 10.555 -10.285 130 HD2 LYS 19 HD3 LYS 19 4.404 9.925 -11.553 131 HD3 LYS 19 HD2 LYS 19 4.910 10.044 -9.868 132 HE2 LYS 19 HE3 LYS 19 5.844 7.990 -10.642 133 HE3 LYS 19 HE2 LYS 19 4.422 7.520 -9.717 134 HZ1 LYS 19 HZ1 LYS 19 3.234 7.699 -11.976 135 HZ2 LYS 19 HZ2 LYS 19 4.188 6.329 -11.658 136 HZ3 LYS 19 HZ3 LYS 19 4.792 7.580 -12.636 137 H GLU 20 H GLU 20 0.532 9.119 -10.257 138 HA GLU 20 HA GLU 20 -1.712 10.073 -9.016 139 HB2 GLU 20 HB3 GLU 20 -1.489 10.537 -11.305 140 HB3 GLU 20 HB2 GLU 20 -1.361 8.824 -11.720 141 HG2 GLU 20 HG3 GLU 20 -3.746 8.550 -10.937 142 HG3 GLU 20 HG2 GLU 20 -3.829 10.299 -10.745 143 H ASP 21 H ASP 21 -1.048 6.757 -10.006 144 HA ASP 21 HA ASP 21 -3.558 5.579 -9.511 145 HB2 ASP 21 HB3 ASP 21 -1.266 4.490 -10.242 146 HB3 ASP 21 HB2 ASP 21 -1.068 4.205 -8.515 147 H LEU 22 H LEU 22 -0.989 6.467 -7.245 148 HA LEU 22 HA LEU 22 -2.422 5.558 -4.900 149 HB2 LEU 22 HB3 LEU 22 -0.352 7.744 -4.843 150 HB3 LEU 22 HB2 LEU 22 -0.660 6.484 -3.647 151 HG LEU 22 HG LEU 22 0.564 6.111 -6.394 152 HD11 LEU 22 HD11 LEU 22 1.623 5.820 -3.570 153 HD12 LEU 22 HD12 LEU 22 2.153 6.981 -4.788 154 HD13 LEU 22 HD13 LEU 22 2.483 5.263 -5.005 155 HD21 LEU 22 HD21 LEU 22 0.820 3.719 -5.573 156 HD22 LEU 22 HD22 LEU 22 -0.829 4.197 -5.967 157 HD23 LEU 22 HD23 LEU 22 -0.310 4.122 -4.283 158 H LEU 23 H LEU 23 -2.507 8.302 -6.928 159 HA LEU 23 HA LEU 23 -3.803 10.068 -4.993 160 HB2 LEU 23 HB3 LEU 23 -3.567 10.285 -8.015 161 HB3 LEU 23 HB2 LEU 23 -3.965 11.594 -6.927 162 HG LEU 23 HG LEU 23 -1.334 10.087 -7.093 163 HD11 LEU 23 HD11 LEU 23 -0.466 12.018 -8.013 164 HD12 LEU 23 HD12 LEU 23 -1.546 13.074 -7.102 165 HD13 LEU 23 HD13 LEU 23 -2.135 12.241 -8.539 166 HD21 LEU 23 HD21 LEU 23 -1.580 10.383 -4.767 167 HD22 LEU 23 HD22 LEU 23 -2.446 11.912 -4.951 168 HD23 LEU 23 HD23 LEU 23 -0.710 11.837 -5.252 169 H LEU 24 H LEU 24 -4.934 8.336 -7.972 170 HA LEU 24 HA LEU 24 -7.689 8.979 -7.431 171 HB2 LEU 24 HB3 LEU 24 -8.287 7.219 -8.993 172 HB3 LEU 24 HB2 LEU 24 -6.954 8.164 -9.662 173 HG LEU 24 HG LEU 24 -5.560 6.222 -8.355 174 HD11 LEU 24 HD11 LEU 24 -7.760 5.095 -7.752 175 HD12 LEU 24 HD12 LEU 24 -6.638 4.078 -8.650 176 HD13 LEU 24 HD13 LEU 24 -8.006 4.821 -9.475 177 HD21 LEU 24 HD21 LEU 24 -5.137 6.790 -10.649 178 HD22 LEU 24 HD22 LEU 24 -6.728 6.223 -11.149 179 HD23 LEU 24 HD23 LEU 24 -5.504 5.066 -10.627 180 H LYS 25 H LYS 25 -5.612 6.189 -6.596 181 HA LYS 25 HA LYS 25 -7.528 4.580 -5.323 182 HB2 LYS 25 HB3 LYS 25 -4.639 5.181 -4.654 183 HB3 LYS 25 HB2 LYS 25 -5.586 4.054 -3.686 184 HG2 LYS 25 HG3 LYS 25 -5.894 2.567 -5.505 185 HG3 LYS 25 HG2 LYS 25 -5.439 3.789 -6.690 186 HD2 LYS 25 HD3 LYS 25 -3.132 3.684 -6.042 187 HD3 LYS 25 HD2 LYS 25 -3.508 2.733 -4.615 188 HE2 LYS 25 HE3 LYS 25 -4.514 1.442 -7.025 189 HE3 LYS 25 HE2 LYS 25 -2.779 1.734 -7.131 190 HZ1 LYS 25 HZ1 LYS 25 -4.226 -0.087 -5.450 191 HZ2 LYS 25 HZ2 LYS 25 -3.100 0.855 -4.593 192 HZ3 LYS 25 HZ3 LYS 25 -2.592 -0.097 -5.906 193 H SER 26 H SER 26 -5.777 7.403 -4.085 194 HA SER 26 HA SER 26 -7.085 7.494 -1.516 195 HB2 SER 26 HB3 SER 26 -4.910 8.719 -2.421 196 HB3 SER 26 HB2 SER 26 -6.053 9.945 -2.929 197 HG SER 26 HG SER 26 -6.861 9.676 -0.640 198 H LYS 27 H LYS 27 -8.554 7.540 -4.370 199 HA LYS 27 HA LYS 27 -9.944 9.912 -4.710 200 HB2 LYS 27 HB3 LYS 27 -11.938 8.363 -5.406 201 HB3 LYS 27 HB2 LYS 27 -10.451 8.349 -6.348 202 HG2 LYS 27 HG3 LYS 27 -9.919 6.217 -5.735 203 HG3 LYS 27 HG2 LYS 27 -10.511 6.432 -4.081 204 HD2 LYS 27 HD3 LYS 27 -11.935 4.831 -5.234 205 HD3 LYS 27 HD2 LYS 27 -12.854 6.317 -4.985 206 HE2 LYS 27 HE3 LYS 27 -12.332 7.038 -7.280 207 HE3 LYS 27 HE2 LYS 27 -11.388 5.572 -7.534 208 HZ1 LYS 27 HZ1 LYS 27 -14.131 5.242 -6.595 209 HZ2 LYS 27 HZ2 LYS 27 -13.230 4.292 -7.679 210 HZ3 LYS 27 HZ3 LYS 27 -13.929 5.750 -8.201 211 H GLY 28 H GLY 28 -10.963 7.253 -2.463 212 HA2 GLY 28 HA3 GLY 28 -11.664 8.522 -0.267 213 HA3 GLY 28 HA2 GLY 28 -12.902 9.192 -1.313 214 H THR 29 H THR 29 -12.192 6.008 -2.248 215 HA THR 29 HA THR 29 -13.949 4.756 -0.276 216 HB THR 29 HB THR 29 -15.295 4.196 -2.673 217 HG1 THR 29 HG1 THR 29 -14.055 6.398 -3.023 218 HG21 THR 29 HG21 THR 29 -17.175 5.230 -1.584 219 HG22 THR 29 HG22 THR 29 -16.114 6.213 -0.576 220 HG23 THR 29 HG23 THR 29 -16.203 4.470 -0.325 221 H CYS 30 H CYS 30 -13.987 2.492 -0.435 222 HA CYS 30 HA CYS 30 -11.735 1.175 -1.626 223 HB2 CYS 30 HB3 CYS 30 -13.014 0.252 0.317 224 HB3 CYS 30 HB2 CYS 30 -14.384 -0.034 -0.755 225 H GLN 31 H GLN 31 -11.635 -0.003 -3.624 226 HA GLN 31 HA GLN 31 -13.585 0.881 -5.616 227 HB2 GLN 31 HB3 GLN 31 -12.222 -0.550 -7.177 228 HB3 GLN 31 HB2 GLN 31 -11.321 0.733 -6.378 229 HG2 GLN 31 HG3 GLN 31 -9.977 -1.266 -6.262 230 HG3 GLN 31 HG2 GLN 31 -10.614 -0.973 -4.648 231 HE21 GLN 31 HE21 GLN 31 -12.560 -2.289 -7.326 232 HE22 GLN 31 HE22 GLN 31 -12.784 -3.820 -6.629 233 H SER 32 H SER 32 -13.295 -1.828 -3.531 234 HA SER 32 HA SER 32 -15.263 -3.343 -5.208 235 HB2 SER 32 HB3 SER 32 -13.207 -4.260 -3.197 236 HB3 SER 32 HB2 SER 32 -14.532 -5.296 -3.719 237 HG SER 32 HG SER 32 -13.780 -4.764 -5.916 238 H CYS 33 H CYS 33 -14.916 -1.517 -2.350 239 HA CYS 33 HA CYS 33 -17.491 -2.660 -1.326 240 HB2 CYS 33 HB3 CYS 33 -15.274 -1.509 0.389 241 HB3 CYS 33 HB2 CYS 33 -16.755 -2.272 0.945 242 H GLY 34 H GLY 34 -15.655 0.192 -2.161 243 HA2 GLY 34 HA3 GLY 34 -16.274 2.464 -2.095 244 HA3 GLY 34 HA2 GLY 34 -17.920 1.872 -2.321 245 H VAL 35 H VAL 35 -15.466 2.076 0.255 246 HA VAL 35 HA VAL 35 -17.650 2.385 2.244 247 HB VAL 35 HB VAL 35 -15.968 1.780 3.910 248 HG11 VAL 35 HG11 VAL 35 -15.159 -0.425 2.599 249 HG12 VAL 35 HG12 VAL 35 -16.372 0.131 1.449 250 HG13 VAL 35 HG13 VAL 35 -16.831 -0.205 3.113 251 HG21 VAL 35 HG21 VAL 35 -13.990 2.842 3.126 252 HG22 VAL 35 HG22 VAL 35 -14.100 2.063 1.547 253 HG23 VAL 35 HG23 VAL 35 -13.664 1.119 2.968 254 H THR 36 H THR 36 -14.482 3.957 1.456 255 HA THR 36 HA THR 36 -15.323 6.596 1.662 256 HB THR 36 HB THR 36 -14.217 6.668 4.242 257 HG1 THR 36 HG1 THR 36 -16.320 4.955 4.582 258 HG21 THR 36 HG21 THR 36 -16.997 6.941 3.129 259 HG22 THR 36 HG22 THR 36 -15.929 8.186 3.772 260 HG23 THR 36 HG23 THR 36 -16.724 7.055 4.867 261 H GLY 37 H GLY 37 -13.333 8.000 2.707 262 HA2 GLY 37 HA3 GLY 37 -10.949 6.977 1.301 263 HA3 GLY 37 HA2 GLY 37 -11.185 8.618 1.864 264 HA PRO 38 HA PRO 38 -9.127 8.132 5.674 265 HB2 PRO 38 HB3 PRO 38 -11.533 7.692 7.328 266 HB3 PRO 38 HB2 PRO 38 -10.288 8.941 7.469 267 HG2 PRO 38 HG3 PRO 38 -12.790 9.413 6.503 268 HG3 PRO 38 HG2 PRO 38 -11.363 10.365 6.068 269 HD2 PRO 38 HD3 PRO 38 -12.875 8.434 4.424 270 HD3 PRO 38 HD2 PRO 38 -11.760 9.715 3.910 271 H ASN 39 H ASN 39 -8.073 6.397 6.398 272 HA ASN 39 HA ASN 39 -7.632 4.244 7.178 273 HB2 ASN 39 HB3 ASN 39 -10.173 4.718 8.144 274 HB3 ASN 39 HB2 ASN 39 -10.416 3.262 7.176 275 HD21 ASN 39 HD21 ASN 39 -10.414 3.501 10.164 276 HD22 ASN 39 HD22 ASN 39 -9.196 2.450 10.705 277 H LEU 40 H LEU 40 -8.122 4.969 4.257 278 HA LEU 40 HA LEU 40 -9.144 2.434 3.161 279 HB2 LEU 40 HB3 LEU 40 -8.097 4.978 1.958 280 HB3 LEU 40 HB2 LEU 40 -8.122 3.529 0.972 281 HG LEU 40 HG LEU 40 -10.483 4.950 2.238 282 HD11 LEU 40 HD11 LEU 40 -9.941 4.124 -0.617 283 HD12 LEU 40 HD12 LEU 40 -9.508 5.703 0.023 284 HD13 LEU 40 HD13 LEU 40 -11.199 5.211 -0.052 285 HD21 LEU 40 HD21 LEU 40 -11.202 2.751 2.549 286 HD22 LEU 40 HD22 LEU 40 -10.211 2.132 1.226 287 HD23 LEU 40 HD23 LEU 40 -11.699 3.007 0.878 288 H TRP 41 H TRP 41 -7.675 1.269 1.545 289 HA TRP 41 HA TRP 41 -4.790 1.431 2.088 290 HB2 TRP 41 HB3 TRP 41 -6.303 -1.100 2.807 291 HB3 TRP 41 HB2 TRP 41 -4.563 -0.855 2.919 292 HD1 TRP 41 HD TRP 41 -7.822 0.556 4.403 293 HE1 TRP 41 HE1 TRP 41 -7.338 1.380 6.797 294 HE3 TRP 41 HE3 TRP 41 -2.785 -0.258 4.619 295 HZ2 TRP 41 HZ2 TRP 41 -5.118 1.647 8.572 296 HZ3 TRP 41 HZ3 TRP 41 -1.516 0.286 6.679 297 HH2 TRP 41 HH2 TRP 41 -2.674 1.235 8.651 298 H ALA 42 H ALA 42 -4.556 1.690 -0.164 299 HA ALA 42 HA ALA 42 -5.738 -0.324 -1.951 300 HB1 ALA 42 HB1 ALA 42 -3.878 1.979 -2.580 301 HB2 ALA 42 HB2 ALA 42 -5.636 2.088 -2.575 302 HB3 ALA 42 HB3 ALA 42 -4.824 1.050 -3.743 303 H CYS 43 H CYS 43 -4.600 -1.853 -3.088 304 HA CYS 43 HA CYS 43 -2.215 -2.939 -1.965 305 HB2 CYS 43 HB3 CYS 43 -3.959 -4.071 -3.489 306 HB3 CYS 43 HB2 CYS 43 -3.088 -3.331 -4.832 307 H LEU 44 H LEU 44 -0.031 -2.880 -2.833 308 HA LEU 44 HA LEU 44 0.461 -0.665 -4.775 309 HB2 LEU 44 HB3 LEU 44 0.828 0.014 -2.354 310 HB3 LEU 44 HB2 LEU 44 2.147 -1.152 -2.314 311 HG LEU 44 HG LEU 44 2.920 0.126 -4.513 312 HD11 LEU 44 HD11 LEU 44 2.381 2.534 -4.378 313 HD12 LEU 44 HD12 LEU 44 1.279 2.207 -3.043 314 HD13 LEU 44 HD13 LEU 44 0.931 1.568 -4.648 315 HD21 LEU 44 HD21 LEU 44 4.166 0.003 -2.362 316 HD22 LEU 44 HD22 LEU 44 3.216 1.358 -1.757 317 HD23 LEU 44 HD23 LEU 44 4.310 1.587 -3.120 318 H GLN 45 H GLN 45 0.452 -3.348 -5.585 319 HA GLN 45 HA GLN 45 3.308 -4.153 -5.579 320 HB2 GLN 45 HB3 GLN 45 1.162 -5.622 -7.084 321 HB3 GLN 45 HB2 GLN 45 2.657 -6.245 -6.377 322 HG2 GLN 45 HG3 GLN 45 0.906 -5.044 -4.355 323 HG3 GLN 45 HG2 GLN 45 0.126 -6.369 -5.216 324 HE21 GLN 45 HE21 GLN 45 2.246 -8.114 -5.708 325 HE22 GLN 45 HE22 GLN 45 2.931 -8.631 -4.243 326 H VAL 46 H VAL 46 4.504 -4.323 -7.493 327 HA VAL 46 HA VAL 46 4.527 -2.299 -9.323 328 HB VAL 46 HB VAL 46 6.202 -4.176 -9.140 329 HG11 VAL 46 HG11 VAL 46 5.855 -6.215 -10.312 330 HG12 VAL 46 HG12 VAL 46 4.429 -5.586 -11.138 331 HG13 VAL 46 HG13 VAL 46 4.362 -5.945 -9.412 332 HG21 VAL 46 HG21 VAL 46 6.195 -2.455 -10.976 333 HG22 VAL 46 HG22 VAL 46 5.265 -3.583 -11.962 334 HG23 VAL 46 HG23 VAL 46 6.904 -3.997 -11.458 335 H ALA 47 H ALA 47 2.120 -4.840 -9.316 336 HA ALA 47 HA ALA 47 0.891 -3.525 -11.673 337 HB1 ALA 47 HB1 ALA 47 0.621 -5.604 -12.902 338 HB2 ALA 47 HB2 ALA 47 1.404 -6.508 -11.605 339 HB3 ALA 47 HB3 ALA 47 2.334 -5.354 -12.561 340 H CYS 48 H CYS 48 -0.208 -3.238 -9.221 341 HA CYS 48 HA CYS 48 -2.657 -4.898 -9.469 342 HB2 CYS 48 HB3 CYS 48 -1.033 -5.875 -7.729 343 HB3 CYS 48 HB2 CYS 48 -1.404 -4.447 -6.764 344 HA PRO 49 HA PRO 49 -3.612 -0.499 -8.519 345 HB2 PRO 49 HB3 PRO 49 -5.161 0.033 -10.667 346 HB3 PRO 49 HB2 PRO 49 -3.389 0.054 -10.767 347 HG2 PRO 49 HG3 PRO 49 -5.311 -2.005 -11.709 348 HG3 PRO 49 HG2 PRO 49 -3.769 -1.493 -12.411 349 HD2 PRO 49 HD3 PRO 49 -4.166 -3.787 -10.822 350 HD3 PRO 49 HD2 PRO 49 -2.595 -3.057 -11.216 351 H TYR 50 H TYR 50 -4.980 -0.940 -6.762 352 HA TYR 50 HA TYR 50 -7.840 -0.990 -7.270 353 HB2 TYR 50 HB3 TYR 50 -6.502 -3.424 -6.038 354 HB3 TYR 50 HB2 TYR 50 -8.235 -3.107 -5.965 355 HD1 TYR 50 HD1 TYR 50 -5.623 -4.610 -7.859 356 HD2 TYR 50 HD2 TYR 50 -9.428 -2.654 -8.255 357 HE1 TYR 50 HE1 TYR 50 -5.907 -5.616 -10.108 358 HE2 TYR 50 HE2 TYR 50 -9.710 -3.660 -10.503 359 HH TYR 50 HH TYR 50 -8.875 -5.068 -12.004 360 H VAL 51 H VAL 51 -8.792 0.084 -5.549 361 HA VAL 51 HA VAL 51 -7.068 0.535 -3.172 362 HB VAL 51 HB VAL 51 -7.672 2.604 -4.087 363 HG11 VAL 51 HG11 VAL 51 -10.017 3.159 -4.714 364 HG12 VAL 51 HG12 VAL 51 -10.490 1.507 -4.322 365 HG13 VAL 51 HG13 VAL 51 -9.373 1.812 -5.652 366 HG21 VAL 51 HG21 VAL 51 -8.665 3.628 -2.289 367 HG22 VAL 51 HG22 VAL 51 -8.348 2.056 -1.557 368 HG23 VAL 51 HG23 VAL 51 -9.956 2.433 -2.176 369 H GLY 52 H GLY 52 -7.451 -1.103 -1.767 370 HA2 GLY 52 HA3 GLY 52 -10.168 -2.127 -1.370 371 HA3 GLY 52 HA2 GLY 52 -8.715 -2.728 -0.590 372 H CYS 53 H CYS 53 -10.469 -2.651 1.206 373 HA CYS 53 HA CYS 53 -10.707 0.029 2.472 374 HB2 CYS 53 HB3 CYS 53 -11.952 -1.704 4.179 375 HB3 CYS 53 HB2 CYS 53 -12.790 -0.890 2.884 376 H GLY 54 H GLY 54 -10.623 -0.093 4.866 377 HA2 GLY 54 HA3 GLY 54 -8.335 -1.749 5.852 378 HA3 GLY 54 HA2 GLY 54 -8.650 -0.095 6.419 379 H GLU 55 H GLU 55 -8.789 -2.399 8.193 380 HA GLU 55 HA GLU 55 -11.058 -3.701 8.753 381 HB2 GLU 55 HB3 GLU 55 -10.910 -3.159 11.092 382 HB3 GLU 55 HB2 GLU 55 -9.268 -3.193 10.453 383 HG2 GLU 55 HG3 GLU 55 -9.543 -0.663 10.081 384 HG3 GLU 55 HG2 GLU 55 -10.951 -0.786 11.136 385 H SER 56 H SER 56 -10.822 -0.221 8.735 386 HA SER 56 HA SER 56 -13.114 0.840 9.665 387 HB2 SER 56 HB3 SER 56 -11.516 1.298 7.259 388 HB3 SER 56 HB2 SER 56 -13.190 1.769 7.032 389 HG SER 56 HG SER 56 -12.862 3.398 8.309 390 H PHE 57 H PHE 57 -12.926 -1.179 6.739 391 HA PHE 57 HA PHE 57 -15.897 -1.576 6.937 392 HB2 PHE 57 HB3 PHE 57 -15.282 -0.456 4.857 393 HB3 PHE 57 HB2 PHE 57 -14.150 -1.730 4.480 394 HD1 PHE 57 HD1 PHE 57 -17.738 -1.327 5.491 395 HD2 PHE 57 HD2 PHE 57 -14.885 -3.471 3.100 396 HE1 PHE 57 HE1 PHE 57 -19.575 -2.664 4.497 397 HE2 PHE 57 HE2 PHE 57 -16.722 -4.806 2.106 398 HZ PHE 57 HZ PHE 57 -19.068 -4.402 2.804 399 H ALA 58 H ALA 58 -13.807 -3.357 4.841 400 HA ALA 58 HA ALA 58 -14.124 -5.786 6.579 401 HB1 ALA 58 HB1 ALA 58 -13.994 -5.732 3.548 402 HB2 ALA 58 HB2 ALA 58 -15.501 -5.807 4.461 403 HB3 ALA 58 HB3 ALA 58 -14.337 -7.127 4.573 404 H ASP 59 H ASP 59 -11.992 -3.581 5.429 405 HA ASP 59 HA ASP 59 -9.678 -3.536 5.163 406 HB2 ASP 59 HB3 ASP 59 -9.647 -4.352 7.433 407 HB3 ASP 59 HB2 ASP 59 -9.945 -5.997 6.906 408 H HIS 60 H HIS 60 -10.522 -4.296 2.802 409 HA HIS 60 HA HIS 60 -10.091 -6.916 1.861 410 HB2 HIS 60 HB3 HIS 60 -9.983 -4.226 0.675 411 HB3 HIS 60 HB2 HIS 60 -8.932 -5.366 -0.134 412 HD2 HIS 60 HD2 HIS 60 -10.524 -7.941 -0.654 413 HE1 HIS 60 HE1 HIS 60 -13.966 -5.661 -1.516 414 HE2 HIS 60 HE2 HIS 60 -12.891 -7.944 -1.737 415 H SER 61 H SER 61 -7.930 -4.524 3.053 416 HA SER 61 HA SER 61 -5.427 -5.153 2.051 417 HB2 SER 61 HB3 SER 61 -6.255 -3.585 4.035 418 HB3 SER 61 HB2 SER 61 -5.697 -4.922 5.028 419 HG SER 61 HG SER 61 -3.992 -4.223 2.984 420 H THR 62 H THR 62 -7.360 -7.097 4.290 421 HA THR 62 HA THR 62 -5.126 -8.965 4.692 422 HB THR 62 HB THR 62 -7.034 -10.253 5.898 423 HG1 THR 62 HG1 THR 62 -8.700 -8.849 6.551 424 HG21 THR 62 HG21 THR 62 -5.390 -9.347 7.290 425 HG22 THR 62 HG22 THR 62 -6.834 -8.494 7.835 426 HG23 THR 62 HG23 THR 62 -5.700 -7.699 6.745 427 H ILE 63 H ILE 63 -8.536 -9.463 3.685 428 HA ILE 63 HA ILE 63 -8.061 -11.986 2.569 429 HB ILE 63 HB ILE 63 -10.096 -11.512 1.122 430 HG12 ILE 63 HG13 ILE 63 -10.213 -9.004 2.799 431 HG13 ILE 63 HG12 ILE 63 -9.578 -9.029 1.155 432 HG21 ILE 63 HG21 ILE 63 -10.348 -10.948 4.095 433 HG22 ILE 63 HG22 ILE 63 -10.176 -12.558 3.396 434 HG23 ILE 63 HG23 ILE 63 -11.607 -11.591 3.041 435 HD11 ILE 63 HD11 ILE 63 -11.676 -9.744 0.251 436 HD12 ILE 63 HD12 ILE 63 -12.051 -8.431 1.367 437 HD13 ILE 63 HD13 ILE 63 -12.315 -10.105 1.854 438 H HIS 64 H HIS 64 -7.613 -8.801 1.214 439 HA HIS 64 HA HIS 64 -7.151 -9.673 -1.506 440 HB2 HIS 64 HB3 HIS 64 -7.727 -7.320 -0.964 441 HB3 HIS 64 HB2 HIS 64 -6.181 -7.149 -0.131 442 HD1 HIS 64 HD1 HIS 64 -7.700 -6.938 -3.456 443 HD2 HIS 64 HD2 HIS 64 -3.875 -7.580 -1.927 444 HE1 HIS 64 HE1 HIS 64 -6.088 -6.583 -5.379 445 H ALA 65 H ALA 65 -5.003 -8.964 1.266 446 HA ALA 65 HA ALA 65 -2.595 -9.618 -0.280 447 HB1 ALA 65 HB1 ALA 65 -1.516 -9.618 2.018 448 HB2 ALA 65 HB2 ALA 65 -3.107 -9.264 2.693 449 HB3 ALA 65 HB3 ALA 65 -2.335 -8.111 1.604 450 H GLN 66 H GLN 66 -5.038 -11.186 1.394 451 HA GLN 66 HA GLN 66 -3.664 -13.679 2.029 452 HB2 GLN 66 HB3 GLN 66 -5.444 -12.891 3.439 453 HB3 GLN 66 HB2 GLN 66 -6.481 -12.652 2.060 454 HG2 GLN 66 HG3 GLN 66 -7.375 -14.616 2.753 455 HG3 GLN 66 HG2 GLN 66 -6.079 -15.286 1.762 456 HE21 GLN 66 HE21 GLN 66 -5.435 -17.116 2.971 457 HE22 GLN 66 HE22 GLN 66 -4.938 -17.054 4.593 458 H ALA 67 H ALA 67 -5.842 -12.450 -0.483 459 HA ALA 67 HA ALA 67 -6.085 -15.106 -1.724 460 HB1 ALA 67 HB1 ALA 67 -7.349 -12.429 -2.105 461 HB2 ALA 67 HB2 ALA 67 -8.103 -14.017 -1.984 462 HB3 ALA 67 HB3 ALA 67 -7.323 -13.524 -3.488 463 H LYS 68 H LYS 68 -4.694 -11.937 -2.497 464 HA LYS 68 HA LYS 68 -3.391 -13.103 -4.900 465 HB2 LYS 68 HB3 LYS 68 -3.431 -10.240 -3.907 466 HB3 LYS 68 HB2 LYS 68 -2.876 -10.801 -5.481 467 HG2 LYS 68 HG3 LYS 68 -5.026 -10.268 -6.102 468 HG3 LYS 68 HG2 LYS 68 -5.347 -11.890 -5.491 469 HD2 LYS 68 HD3 LYS 68 -6.005 -11.000 -3.327 470 HD3 LYS 68 HD2 LYS 68 -5.555 -9.373 -3.822 471 HE2 LYS 68 HE3 LYS 68 -8.067 -10.097 -3.967 472 HE3 LYS 68 HE2 LYS 68 -7.362 -9.175 -5.294 473 HZ1 LYS 68 HZ1 LYS 68 -6.867 -11.328 -6.385 474 HZ2 LYS 68 HZ2 LYS 68 -8.529 -11.024 -6.201 475 HZ3 LYS 68 HZ3 LYS 68 -7.742 -12.114 -5.163 476 H LYS 69 H LYS 69 -2.738 -12.972 -1.726 477 HA LYS 69 HA LYS 69 -0.787 -13.096 -0.456 478 HB2 LYS 69 HB3 LYS 69 0.003 -14.097 -3.166 479 HB3 LYS 69 HB2 LYS 69 1.273 -13.818 -1.977 480 HG2 LYS 69 HG3 LYS 69 0.285 -16.167 -1.997 481 HG3 LYS 69 HG2 LYS 69 0.296 -15.360 -0.430 482 HD2 LYS 69 HD3 LYS 69 -2.013 -15.012 -0.439 483 HD3 LYS 69 HD2 LYS 69 -2.122 -15.078 -2.197 484 HE2 LYS 69 HE3 LYS 69 -1.665 -17.497 -2.144 485 HE3 LYS 69 HE2 LYS 69 -1.530 -17.438 -0.387 486 HZ1 LYS 69 HZ1 LYS 69 -3.954 -16.301 -1.505 487 HZ2 LYS 69 HZ2 LYS 69 -3.742 -17.277 -0.130 488 HZ3 LYS 69 HZ3 LYS 69 -3.794 -17.981 -1.675 489 H HIS 70 H HIS 70 -1.458 -10.549 -2.157 490 HA HIS 70 HA HIS 70 1.174 -9.305 -2.531 491 HB2 HIS 70 HB3 HIS 70 -1.634 -8.143 -2.446 492 HB3 HIS 70 HB2 HIS 70 -0.190 -7.209 -2.814 493 HD2 HIS 70 HD2 HIS 70 1.036 -9.922 -4.675 494 HE1 HIS 70 HE1 HIS 70 -2.136 -8.744 -7.198 495 HE2 HIS 70 HE2 HIS 70 0.011 -10.086 -7.065 496 H ASN 71 H ASN 71 2.397 -8.545 -0.828 497 HA ASN 71 HA ASN 71 1.103 -8.385 1.824 498 HB2 ASN 71 HB3 ASN 71 3.557 -7.944 2.502 499 HB3 ASN 71 HB2 ASN 71 3.128 -9.547 1.907 500 HD21 ASN 71 HD21 ASN 71 3.408 -9.781 -0.606 501 HD22 ASN 71 HD22 ASN 71 4.780 -9.042 -1.279 502 H LEU 72 H LEU 72 2.936 -6.241 -0.359 503 HA LEU 72 HA LEU 72 2.717 -4.014 1.497 504 HB2 LEU 72 HB3 LEU 72 3.654 -4.191 -1.364 505 HB3 LEU 72 HB2 LEU 72 3.723 -2.717 -0.398 506 HG LEU 72 HG LEU 72 4.869 -5.240 0.740 507 HD11 LEU 72 HD11 LEU 72 6.054 -3.565 -1.460 508 HD12 LEU 72 HD12 LEU 72 5.961 -5.321 -1.338 509 HD13 LEU 72 HD13 LEU 72 7.081 -4.425 -0.314 510 HD21 LEU 72 HD21 LEU 72 6.435 -3.591 1.761 511 HD22 LEU 72 HD22 LEU 72 4.754 -3.222 2.136 512 HD23 LEU 72 HD23 LEU 72 5.603 -2.297 0.899 513 H THR 73 H THR 73 1.350 -2.395 1.531 514 HA THR 73 HA THR 73 -0.417 -1.741 -0.723 515 HB THR 73 HB THR 73 -2.460 -2.174 0.330 516 HG1 THR 73 HG1 THR 73 -0.981 -1.588 2.566 517 HG21 THR 73 HG21 THR 73 -1.298 -4.330 -0.043 518 HG22 THR 73 HG22 THR 73 -2.388 -4.407 1.342 519 HG23 THR 73 HG23 THR 73 -0.650 -4.250 1.597 520 H VAL 74 H VAL 74 -1.417 0.477 -0.244 521 HA VAL 74 HA VAL 74 0.182 1.856 1.881 522 HB VAL 74 HB VAL 74 1.099 2.597 -0.158 523 HG11 VAL 74 HG11 VAL 74 -0.575 1.702 -1.686 524 HG12 VAL 74 HG12 VAL 74 -0.384 3.423 -2.020 525 HG13 VAL 74 HG13 VAL 74 -1.778 2.851 -1.104 526 HG21 VAL 74 HG21 VAL 74 0.635 4.930 -0.141 527 HG22 VAL 74 HG22 VAL 74 0.267 4.397 1.498 528 HG23 VAL 74 HG23 VAL 74 -1.039 4.680 0.350 529 H ASN 75 H ASN 75 -0.873 3.027 3.322 530 HA ASN 75 HA ASN 75 -3.807 3.132 3.213 531 HB2 ASN 75 HB3 ASN 75 -2.414 2.609 5.297 532 HB3 ASN 75 HB2 ASN 75 -2.007 4.322 5.330 533 HD21 ASN 75 HD21 ASN 75 -3.416 3.458 7.516 534 HD22 ASN 75 HD22 ASN 75 -5.037 3.955 7.435 535 H LEU 76 H LEU 76 -4.457 4.699 1.761 536 HA LEU 76 HA LEU 76 -3.117 7.228 1.431 537 HB2 LEU 76 HB3 LEU 76 -6.009 6.641 0.783 538 HB3 LEU 76 HB2 LEU 76 -4.928 7.775 -0.018 539 HG LEU 76 HG LEU 76 -3.780 5.101 -0.023 540 HD11 LEU 76 HD11 LEU 76 -6.396 5.342 -1.509 541 HD12 LEU 76 HD12 LEU 76 -6.235 4.507 0.035 542 HD13 LEU 76 HD13 LEU 76 -5.355 3.929 -1.376 543 HD21 LEU 76 HD21 LEU 76 -4.731 6.528 -2.476 544 HD22 LEU 76 HD22 LEU 76 -3.258 5.601 -2.226 545 HD23 LEU 76 HD23 LEU 76 -3.406 7.217 -1.540 546 H THR 77 H THR 77 -4.448 6.115 4.097 547 HA THR 77 HA THR 77 -6.065 8.470 4.852 548 HB THR 77 HB THR 77 -5.235 6.059 6.497 549 HG1 THR 77 HG1 THR 77 -6.904 6.257 4.475 550 HG21 THR 77 HG21 THR 77 -5.859 7.878 7.931 551 HG22 THR 77 HG22 THR 77 -7.246 6.792 7.854 552 HG23 THR 77 HG23 THR 77 -7.240 8.284 6.914 553 H THR 78 H THR 78 -2.999 6.897 5.629 554 HA THR 78 HA THR 78 -2.164 9.392 7.060 555 HB THR 78 HB THR 78 -1.208 6.565 7.579 556 HG1 THR 78 HG1 THR 78 -3.201 8.183 8.677 557 HG21 THR 78 HG21 THR 78 -0.615 9.244 8.847 558 HG22 THR 78 HG22 THR 78 0.530 8.102 8.146 559 HG23 THR 78 HG23 THR 78 -0.284 7.715 9.661 560 H PHE 79 H PHE 79 -1.492 7.275 4.452 561 HA PHE 79 HA PHE 79 0.099 7.566 2.738 562 HB2 PHE 79 HB3 PHE 79 0.100 10.031 3.829 563 HB3 PHE 79 HB2 PHE 79 1.730 9.535 4.276 564 HD1 PHE 79 HD1 PHE 79 -0.447 10.606 1.586 565 HD2 PHE 79 HD2 PHE 79 3.313 8.726 2.466 566 HE1 PHE 79 HE1 PHE 79 0.320 11.055 -0.729 567 HE2 PHE 79 HE2 PHE 79 4.080 9.174 0.151 568 HZ PHE 79 HZ PHE 79 2.583 10.339 -1.447 569 H ARG 80 H ARG 80 0.412 5.420 4.202 570 HA ARG 80 HA ARG 80 3.354 5.152 4.473 571 HB2 ARG 80 HB3 ARG 80 2.528 3.537 6.521 572 HB3 ARG 80 HB2 ARG 80 3.148 5.167 6.753 573 HG2 ARG 80 HG3 ARG 80 1.028 6.070 7.097 574 HG3 ARG 80 HG2 ARG 80 0.223 4.805 6.168 575 HD2 ARG 80 HD3 ARG 80 0.274 3.285 7.927 576 HD3 ARG 80 HD2 ARG 80 1.657 4.061 8.699 577 HE ARG 80 HE ARG 80 -0.082 6.000 9.105 578 HH11 ARG 80 HH11 ARG 80 -1.813 6.141 10.537 579 HH12 ARG 80 HH12 ARG 80 -2.666 4.705 10.996 580 HH21 ARG 80 HH21 ARG 80 -0.713 2.599 9.061 581 HH22 ARG 80 HH22 ARG 80 -2.044 2.705 10.163 582 H LEU 81 H LEU 81 3.663 2.570 4.887 583 HA LEU 81 HA LEU 81 1.805 1.267 2.944 584 HB2 LEU 81 HB3 LEU 81 4.728 1.252 3.225 585 HB3 LEU 81 HB2 LEU 81 4.027 -0.324 2.909 586 HG LEU 81 HG LEU 81 3.111 2.015 1.290 587 HD11 LEU 81 HD11 LEU 81 5.552 2.249 1.275 588 HD12 LEU 81 HD12 LEU 81 4.988 1.680 -0.295 589 HD13 LEU 81 HD13 LEU 81 5.726 0.549 0.839 590 HD21 LEU 81 HD21 LEU 81 3.737 -0.404 -0.168 591 HD22 LEU 81 HD22 LEU 81 2.170 0.364 0.066 592 HD23 LEU 81 HD23 LEU 81 2.760 -0.807 1.240 593 H TRP 82 H TRP 82 2.064 -1.251 3.238 594 HA TRP 82 HA TRP 82 2.249 -2.092 6.041 595 HB2 TRP 82 HB3 TRP 82 -0.107 -1.136 5.640 596 HB3 TRP 82 HB2 TRP 82 -0.360 -2.518 4.581 597 HD1 TRP 82 HD TRP 82 1.274 -2.209 8.089 598 HE1 TRP 82 HE1 TRP 82 0.224 -4.001 9.614 599 HE3 TRP 82 HE3 TRP 82 -2.089 -4.273 4.844 600 HZ2 TRP 82 HZ2 TRP 82 -1.779 -6.037 9.480 601 HZ3 TRP 82 HZ3 TRP 82 -3.554 -6.134 5.570 602 HH2 TRP 82 HH2 TRP 82 -3.403 -7.019 7.881 603 H CYS 83 H CYS 83 3.529 -3.843 5.718 604 HA CYS 83 HA CYS 83 3.184 -5.454 3.267 605 HB2 CYS 83 HB3 CYS 83 5.413 -4.608 4.558 606 HB3 CYS 83 HB2 CYS 83 5.216 -6.197 5.283 607 H TYR 84 H TYR 84 1.577 -7.033 3.501 608 HA TYR 84 HA TYR 84 0.997 -8.209 6.096 609 HB2 TYR 84 HB3 TYR 84 -0.502 -8.132 3.904 610 HB3 TYR 84 HB2 TYR 84 0.358 -9.621 3.505 611 HD1 TYR 84 HD1 TYR 84 -1.299 -8.042 6.485 612 HD2 TYR 84 HD2 TYR 84 -0.610 -11.620 4.211 613 HE1 TYR 84 HE1 TYR 84 -2.773 -9.306 8.027 614 HE2 TYR 84 HE2 TYR 84 -2.085 -12.884 5.752 615 HH TYR 84 HH TYR 84 -4.099 -11.325 8.059 616 H ALA 85 H ALA 85 3.653 -8.316 4.273 617 HA ALA 85 HA ALA 85 4.280 -11.173 4.768 618 HB1 ALA 85 HB1 ALA 85 6.449 -10.467 3.506 619 HB2 ALA 85 HB2 ALA 85 5.528 -9.038 3.038 620 HB3 ALA 85 HB3 ALA 85 4.967 -10.644 2.571 621 H CYS 86 H CYS 86 6.181 -8.115 4.925 622 HA CYS 86 HA CYS 86 7.717 -9.001 7.187 623 HB2 CYS 86 HB3 CYS 86 7.095 -6.139 6.359 624 HB3 CYS 86 HB2 CYS 86 8.452 -6.679 7.342 625 H GLU 87 H GLU 87 4.559 -8.112 6.669 626 HA GLU 87 HA GLU 87 2.761 -7.515 8.031 627 HB2 GLU 87 HB3 GLU 87 4.223 -9.698 9.126 628 HB3 GLU 87 HB2 GLU 87 3.656 -8.712 10.463 629 HG2 GLU 87 HG3 GLU 87 1.841 -9.557 8.202 630 HG3 GLU 87 HG2 GLU 87 2.049 -10.524 9.660 631 H LYS 88 H LYS 88 3.918 -5.295 7.828 632 HA LYS 88 HA LYS 88 3.791 -4.054 10.460 633 HB2 LYS 88 HB3 LYS 88 6.129 -3.022 10.167 634 HB3 LYS 88 HB2 LYS 88 6.070 -4.705 10.693 635 HG2 LYS 88 HG3 LYS 88 6.565 -5.512 8.505 636 HG3 LYS 88 HG2 LYS 88 6.270 -3.937 7.777 637 HD2 LYS 88 HD3 LYS 88 8.631 -4.110 7.867 638 HD3 LYS 88 HD2 LYS 88 8.216 -3.090 9.242 639 HE2 LYS 88 HE3 LYS 88 8.070 -5.690 10.269 640 HE3 LYS 88 HE2 LYS 88 9.481 -5.722 9.215 641 HZ1 LYS 88 HZ1 LYS 88 10.139 -5.008 11.384 642 HZ2 LYS 88 HZ2 LYS 88 8.949 -3.796 11.409 643 HZ3 LYS 88 HZ3 LYS 88 10.256 -3.684 10.330 644 H GLU 89 H GLU 89 4.616 -1.602 10.057 645 HA GLU 89 HA GLU 89 3.309 -0.732 7.513 646 HB2 GLU 89 HB3 GLU 89 2.894 0.038 10.201 647 HB3 GLU 89 HB2 GLU 89 3.740 1.392 9.455 648 HG2 GLU 89 HG3 GLU 89 2.040 1.769 7.897 649 HG3 GLU 89 HG2 GLU 89 1.413 0.128 8.021 650 H VAL 90 H VAL 90 4.461 0.765 6.145 651 HA VAL 90 HA VAL 90 7.103 1.675 7.141 652 HB VAL 90 HB VAL 90 7.919 0.716 4.723 653 HG11 VAL 90 HG11 VAL 90 7.827 -0.919 7.277 654 HG12 VAL 90 HG12 VAL 90 8.982 0.375 6.961 655 HG13 VAL 90 HG13 VAL 90 8.996 -1.080 5.968 656 HG21 VAL 90 HG21 VAL 90 6.926 -1.337 4.176 657 HG22 VAL 90 HG22 VAL 90 5.531 -0.359 4.626 658 HG23 VAL 90 HG23 VAL 90 6.195 -1.521 5.770 659 H PHE 91 H PHE 91 7.886 3.454 6.087 660 HA PHE 91 HA PHE 91 6.056 4.790 4.147 661 HB2 PHE 91 HB3 PHE 91 8.332 5.884 5.831 662 HB3 PHE 91 HB2 PHE 91 7.347 6.835 4.726 663 HD1 PHE 91 HD1 PHE 91 5.411 7.887 5.541 664 HD2 PHE 91 HD2 PHE 91 7.012 4.503 7.647 665 HE1 PHE 91 HE1 PHE 91 3.732 8.209 7.337 666 HE2 PHE 91 HE2 PHE 91 5.332 4.825 9.442 667 HZ PHE 91 HZ PHE 91 3.692 6.679 9.288 668 H LEU 92 H LEU 92 7.341 6.153 2.474 669 HA LEU 92 HA LEU 92 8.914 4.572 0.819 670 HB2 LEU 92 HB3 LEU 92 9.501 7.516 1.215 671 HB3 LEU 92 HB2 LEU 92 9.639 6.568 -0.265 672 HG LEU 92 HG LEU 92 6.995 6.189 0.326 673 HD11 LEU 92 HD11 LEU 92 7.396 7.897 2.241 674 HD12 LEU 92 HD12 LEU 92 5.998 8.142 1.197 675 HD13 LEU 92 HD13 LEU 92 7.456 9.104 0.958 676 HD21 LEU 92 HD21 LEU 92 6.554 7.890 -1.414 677 HD22 LEU 92 HD22 LEU 92 7.934 6.881 -1.849 678 HD23 LEU 92 HD23 LEU 92 8.192 8.510 -1.223 679 H GLU 93 H GLU 93 11.093 4.081 0.759 680 HA GLU 93 HA GLU 93 12.545 3.650 3.074 681 HB2 GLU 93 HB3 GLU 93 14.571 3.576 1.596 682 HB3 GLU 93 HB2 GLU 93 13.200 2.662 0.964 683 HG2 GLU 93 HG3 GLU 93 12.551 4.725 -0.360 684 HG3 GLU 93 HG2 GLU 93 14.106 5.418 0.107 685 H GLN 94 H GLN 94 11.667 6.681 2.119 686 HA GLN 94 HA GLN 94 12.366 8.817 2.764 687 HB2 GLN 94 HB3 GLN 94 14.306 7.463 4.640 688 HB3 GLN 94 HB2 GLN 94 13.500 9.019 4.834 689 HG2 GLN 94 HG3 GLN 94 11.297 7.729 4.837 690 HG3 GLN 94 HG2 GLN 94 12.266 6.263 4.998 691 HE21 GLN 94 HE21 GLN 94 11.098 6.120 7.184 692 HE22 GLN 94 HE22 GLN 94 11.757 6.978 8.492 693 H ARG 95 H ARG 95 14.714 6.492 1.693 694 HA ARG 95 HA ARG 95 17.091 7.930 1.595 695 HB2 ARG 95 HB3 ARG 95 17.785 6.422 -0.016 696 HB3 ARG 95 HB2 ARG 95 16.351 5.582 0.556 697 HG2 ARG 95 HG3 ARG 95 16.074 5.537 -1.772 698 HG3 ARG 95 HG2 ARG 95 15.092 6.916 -1.294 699 HD2 ARG 95 HD3 ARG 95 16.312 8.215 -2.682 700 HD3 ARG 95 HD2 ARG 95 17.738 7.899 -1.697 701 HE ARG 95 HE ARG 95 18.445 6.301 -3.302 702 HH11 ARG 95 HH11 ARG 95 18.266 5.320 -5.330 703 HH12 ARG 95 HH12 ARG 95 16.781 5.446 -6.211 704 HH21 ARG 95 HH21 ARG 95 15.188 7.332 -3.776 705 HH22 ARG 95 HH22 ARG 95 15.039 6.585 -5.332 706 H LEU 96 H LEU 96 14.179 8.426 -0.272 707 HA LEU 96 HA LEU 96 15.455 10.458 -1.984 708 HB2 LEU 96 HB3 LEU 96 13.126 10.733 -2.893 709 HB3 LEU 96 HB2 LEU 96 13.751 9.092 -3.022 710 HG LEU 96 HG LEU 96 12.573 8.620 -0.793 711 HD11 LEU 96 HD11 LEU 96 11.906 10.584 0.193 712 HD12 LEU 96 HD12 LEU 96 10.455 10.287 -0.758 713 HD13 LEU 96 HD13 LEU 96 11.676 11.411 -1.347 714 HD21 LEU 96 HD21 LEU 96 10.422 8.232 -1.912 715 HD22 LEU 96 HD22 LEU 96 11.752 7.842 -3.001 716 HD23 LEU 96 HD23 LEU 96 10.871 9.357 -3.193 717 H ALA 97 H ALA 97 14.002 12.585 -2.158 718 HA ALA 97 HA ALA 97 12.744 13.525 0.257 719 HB1 ALA 97 HB1 ALA 97 15.575 14.486 -0.268 720 HB2 ALA 97 HB2 ALA 97 15.066 13.483 1.091 721 HB3 ALA 97 HB3 ALA 97 14.484 15.141 0.952 722 H ALA 98 H ALA 98 11.776 15.566 -0.093 723 HA ALA 98 HA ALA 98 10.802 17.205 -1.473 724 HB1 ALA 98 HB1 ALA 98 12.404 18.677 -2.558 725 HB2 ALA 98 HB2 ALA 98 13.644 17.424 -2.510 726 HB3 ALA 98 HB3 ALA 98 13.077 18.162 -1.011 727 HA PRO 99 HA PRO 99 10.951 14.295 -5.163 728 HB2 PRO 99 HB3 PRO 99 8.470 13.203 -4.886 729 HB3 PRO 99 HB2 PRO 99 9.902 12.546 -4.069 730 HG2 PRO 99 HG3 PRO 99 7.735 14.281 -2.987 731 HG3 PRO 99 HG2 PRO 99 8.574 12.916 -2.229 732 HD2 PRO 99 HD3 PRO 99 9.172 15.555 -1.698 733 HD3 PRO 99 HD2 PRO 99 10.339 14.227 -1.520 Start of MODEL 2 1 H1 MET 1 H1 MET 1 19.395 -7.833 -1.369 2 HA MET 1 HA MET 1 16.680 -6.974 -0.689 3 HB2 MET 1 HB3 MET 1 17.497 -7.333 1.567 4 HB3 MET 1 HB2 MET 1 17.970 -8.719 0.583 5 HG2 MET 1 HG3 MET 1 20.191 -7.513 0.200 6 HG3 MET 1 HG2 MET 1 19.699 -6.406 1.481 7 HE1 MET 1 HE1 MET 1 22.170 -7.355 2.533 8 HE2 MET 1 HE2 MET 1 22.179 -8.385 1.104 9 HE3 MET 1 HE3 MET 1 22.452 -9.095 2.694 10 H GLY 2 H GLY 2 16.222 -4.889 -0.084 11 HA2 GLY 2 HA3 GLY 2 18.120 -2.799 -0.747 12 HA3 GLY 2 HA2 GLY 2 16.530 -2.554 -0.022 13 H ASP 3 H ASP 3 19.057 -1.275 0.751 14 HA ASP 3 HA ASP 3 19.468 -2.422 3.482 15 HB2 ASP 3 HB3 ASP 3 21.491 -2.113 2.034 16 HB3 ASP 3 HB2 ASP 3 21.156 -0.381 2.005 17 H SER 4 H SER 4 18.213 -1.424 4.983 18 HA SER 4 HA SER 4 18.370 1.259 5.703 19 HB2 SER 4 HB3 SER 4 16.563 0.800 3.404 20 HB3 SER 4 HB2 SER 4 15.881 1.769 4.706 21 HG SER 4 HG SER 4 18.432 2.212 3.537 22 H ARG 5 H ARG 5 15.965 1.913 6.713 23 HA ARG 5 HA ARG 5 15.181 -0.497 8.313 24 HB2 ARG 5 HB3 ARG 5 14.288 1.659 9.763 25 HB3 ARG 5 HB2 ARG 5 15.843 0.869 10.021 26 HG2 ARG 5 HG3 ARG 5 17.015 2.489 8.766 27 HG3 ARG 5 HG2 ARG 5 15.547 3.075 7.985 28 HD2 ARG 5 HD3 ARG 5 14.755 3.856 10.254 29 HD3 ARG 5 HD2 ARG 5 16.352 3.449 10.882 30 HE ARG 5 HE ARG 5 17.155 5.424 9.889 31 HH11 ARG 5 HH11 ARG 5 16.987 7.237 8.547 32 HH12 ARG 5 HH12 ARG 5 15.643 7.374 7.464 33 HH21 ARG 5 HH21 ARG 5 14.212 4.368 8.434 34 HH22 ARG 5 HH22 ARG 5 14.072 5.751 7.400 35 H ASP 6 H ASP 6 13.927 2.530 6.904 36 HA ASP 6 HA ASP 6 11.153 1.818 7.291 37 HB2 ASP 6 HB3 ASP 6 12.534 4.107 6.545 38 HB3 ASP 6 HB2 ASP 6 11.721 3.642 5.052 39 H LEU 7 H LEU 7 13.520 1.222 4.771 40 HA LEU 7 HA LEU 7 11.646 0.451 2.733 41 HB2 LEU 7 HB3 LEU 7 13.499 0.093 1.447 42 HB3 LEU 7 HB2 LEU 7 14.315 0.936 2.752 43 HG LEU 7 HG LEU 7 15.610 -1.007 2.306 44 HD11 LEU 7 HD11 LEU 7 14.408 -2.405 4.516 45 HD12 LEU 7 HD12 LEU 7 14.351 -0.669 4.821 46 HD13 LEU 7 HD13 LEU 7 15.888 -1.453 4.474 47 HD21 LEU 7 HD21 LEU 7 14.794 -2.943 1.498 48 HD22 LEU 7 HD22 LEU 7 13.230 -2.141 1.403 49 HD23 LEU 7 HD23 LEU 7 13.641 -3.110 2.819 50 H CYS 8 H CYS 8 11.260 -1.776 1.972 51 HA CYS 8 HA CYS 8 11.476 -3.820 4.145 52 HB2 CYS 8 HB3 CYS 8 9.219 -3.889 4.298 53 HB3 CYS 8 HB2 CYS 8 9.062 -2.676 3.031 54 HA PRO 9 HA PRO 9 13.238 -6.593 1.215 55 HB2 PRO 9 HB3 PRO 9 11.656 -8.864 1.557 56 HB3 PRO 9 HB2 PRO 9 12.983 -8.391 2.626 57 HG2 PRO 9 HG3 PRO 9 10.074 -7.882 2.921 58 HG3 PRO 9 HG2 PRO 9 11.216 -8.439 4.146 59 HD2 PRO 9 HD3 PRO 9 10.472 -5.887 4.120 60 HD3 PRO 9 HD2 PRO 9 12.189 -6.285 4.371 61 H HIS 10 H HIS 10 9.722 -7.144 1.189 62 HA HIS 10 HA HIS 10 9.660 -7.658 -1.677 63 HB2 HIS 10 HB3 HIS 10 7.176 -6.922 -0.132 64 HB3 HIS 10 HB2 HIS 10 7.396 -8.132 -1.395 65 HD2 HIS 10 HD2 HIS 10 8.187 -10.661 -0.504 66 HE1 HIS 10 HE1 HIS 10 8.433 -9.714 3.599 67 HE2 HIS 10 HE2 HIS 10 8.504 -11.596 1.905 68 H LEU 11 H LEU 11 10.167 -4.902 -0.016 69 HA LEU 11 HA LEU 11 8.410 -3.054 -1.368 70 HB2 LEU 11 HB3 LEU 11 9.699 -2.734 0.834 71 HB3 LEU 11 HB2 LEU 11 11.097 -2.396 -0.174 72 HG LEU 11 HG LEU 11 8.653 -0.913 -0.947 73 HD11 LEU 11 HD11 LEU 11 9.179 0.768 0.967 74 HD12 LEU 11 HD12 LEU 11 9.893 -0.625 1.779 75 HD13 LEU 11 HD13 LEU 11 8.188 -0.643 1.334 76 HD21 LEU 11 HD21 LEU 11 11.546 -0.171 -0.408 77 HD22 LEU 11 HD22 LEU 11 10.328 0.958 -0.998 78 HD23 LEU 11 HD23 LEU 11 10.798 -0.425 -1.984 79 H ASP 12 H ASP 12 11.456 -4.549 -2.150 80 HA ASP 12 HA ASP 12 11.998 -2.653 -4.346 81 HB2 ASP 12 HB3 ASP 12 13.885 -3.598 -3.068 82 HB3 ASP 12 HB2 ASP 12 13.390 -5.225 -3.540 83 H SER 13 H SER 13 10.405 -5.681 -3.830 84 HA SER 13 HA SER 13 10.562 -6.558 -6.614 85 HB2 SER 13 HB3 SER 13 10.286 -8.081 -4.589 86 HB3 SER 13 HB2 SER 13 8.621 -7.514 -4.497 87 HG SER 13 HG SER 13 9.894 -8.820 -6.677 88 H ILE 14 H ILE 14 8.400 -4.587 -4.693 89 HA ILE 14 HA ILE 14 6.192 -4.751 -6.624 90 HB ILE 14 HB ILE 14 5.261 -2.884 -5.212 91 HG12 ILE 14 HG13 ILE 14 7.564 -3.419 -3.359 92 HG13 ILE 14 HG12 ILE 14 7.697 -2.170 -4.590 93 HG21 ILE 14 HG21 ILE 14 6.244 -5.161 -3.487 94 HG22 ILE 14 HG22 ILE 14 5.052 -5.429 -4.755 95 HG23 ILE 14 HG23 ILE 14 4.688 -4.334 -3.421 96 HD11 ILE 14 HD11 ILE 14 5.970 -0.887 -3.662 97 HD12 ILE 14 HD12 ILE 14 6.810 -1.494 -2.237 98 HD13 ILE 14 HD13 ILE 14 5.305 -2.250 -2.762 99 H GLY 15 H GLY 15 9.138 -3.034 -6.463 100 HA2 GLY 15 HA3 GLY 15 9.967 -1.202 -7.681 101 HA3 GLY 15 HA2 GLY 15 8.772 -1.653 -8.898 102 H GLU 16 H GLU 16 8.070 0.444 -9.409 103 HA GLU 16 HA GLU 16 6.520 1.813 -7.253 104 HB2 GLU 16 HB3 GLU 16 8.396 3.219 -7.330 105 HB3 GLU 16 HB2 GLU 16 8.630 2.981 -9.059 106 HG2 GLU 16 HG3 GLU 16 6.095 4.290 -8.110 107 HG3 GLU 16 HG2 GLU 16 7.576 5.245 -8.143 108 H VAL 17 H VAL 17 4.446 1.935 -7.913 109 HA VAL 17 HA VAL 17 3.759 1.611 -10.751 110 HB VAL 17 HB VAL 17 1.415 1.710 -9.920 111 HG11 VAL 17 HG11 VAL 17 2.626 -0.435 -9.903 112 HG12 VAL 17 HG12 VAL 17 1.530 -0.330 -8.523 113 HG13 VAL 17 HG13 VAL 17 3.260 -0.071 -8.298 114 HG21 VAL 17 HG21 VAL 17 1.726 3.323 -8.109 115 HG22 VAL 17 HG22 VAL 17 2.789 2.201 -7.259 116 HG23 VAL 17 HG23 VAL 17 1.076 1.824 -7.446 117 H THR 18 H THR 18 1.623 3.283 -11.156 118 HA THR 18 HA THR 18 2.894 5.813 -11.662 119 HB THR 18 HB THR 18 0.091 6.220 -11.672 120 HG1 THR 18 HG1 THR 18 0.364 3.942 -13.137 121 HG21 THR 18 HG21 THR 18 2.027 5.410 -13.859 122 HG22 THR 18 HG22 THR 18 1.598 7.053 -13.382 123 HG23 THR 18 HG23 THR 18 0.396 6.016 -14.150 124 H LYS 19 H LYS 19 3.069 7.576 -10.359 125 HA LYS 19 HA LYS 19 2.485 7.433 -7.575 126 HB2 LYS 19 HB3 LYS 19 2.457 10.184 -8.513 127 HB3 LYS 19 HB2 LYS 19 3.681 9.361 -7.546 128 HG2 LYS 19 HG3 LYS 19 4.289 8.258 -9.898 129 HG3 LYS 19 HG2 LYS 19 3.539 9.729 -10.512 130 HD2 LYS 19 HD3 LYS 19 5.717 10.480 -10.266 131 HD3 LYS 19 HD2 LYS 19 5.101 10.860 -8.658 132 HE2 LYS 19 HE3 LYS 19 5.870 8.465 -8.018 133 HE3 LYS 19 HE2 LYS 19 6.811 8.521 -9.508 134 HZ1 LYS 19 HZ1 LYS 19 8.340 9.662 -8.412 135 HZ2 LYS 19 HZ2 LYS 19 7.372 9.721 -7.016 136 HZ3 LYS 19 HZ3 LYS 19 7.233 10.930 -8.202 137 H GLU 20 H GLU 20 0.864 9.285 -10.143 138 HA GLU 20 HA GLU 20 -1.362 10.209 -8.806 139 HB2 GLU 20 HB3 GLU 20 -1.203 10.820 -11.056 140 HB3 GLU 20 HB2 GLU 20 -0.993 9.151 -11.581 141 HG2 GLU 20 HG3 GLU 20 -3.537 9.436 -10.215 142 HG3 GLU 20 HG2 GLU 20 -3.409 10.641 -11.490 143 H ASP 21 H ASP 21 -0.649 6.940 -9.920 144 HA ASP 21 HA ASP 21 -3.154 5.717 -9.486 145 HB2 ASP 21 HB3 ASP 21 -0.836 4.687 -10.237 146 HB3 ASP 21 HB2 ASP 21 -0.662 4.332 -8.520 147 H LEU 22 H LEU 22 -0.620 6.585 -7.187 148 HA LEU 22 HA LEU 22 -2.056 5.557 -4.883 149 HB2 LEU 22 HB3 LEU 22 0.035 7.712 -4.703 150 HB3 LEU 22 HB2 LEU 22 -0.272 6.371 -3.596 151 HG LEU 22 HG LEU 22 0.919 6.172 -6.378 152 HD11 LEU 22 HD11 LEU 22 2.086 5.534 -3.653 153 HD12 LEU 22 HD12 LEU 22 2.431 7.000 -4.571 154 HD13 LEU 22 HD13 LEU 22 2.922 5.427 -5.202 155 HD21 LEU 22 HD21 LEU 22 1.194 3.743 -5.732 156 HD22 LEU 22 HD22 LEU 22 -0.478 4.234 -6.001 157 HD23 LEU 22 HD23 LEU 22 0.134 4.052 -4.357 158 H LEU 23 H LEU 23 -2.109 8.396 -6.778 159 HA LEU 23 HA LEU 23 -3.388 10.080 -4.756 160 HB2 LEU 23 HB3 LEU 23 -3.175 10.448 -7.765 161 HB3 LEU 23 HB2 LEU 23 -3.516 11.705 -6.595 162 HG LEU 23 HG LEU 23 -0.930 10.141 -6.905 163 HD11 LEU 23 HD11 LEU 23 -0.017 12.115 -7.697 164 HD12 LEU 23 HD12 LEU 23 -1.097 13.131 -6.742 165 HD13 LEU 23 HD13 LEU 23 -1.680 12.375 -8.224 166 HD21 LEU 23 HD21 LEU 23 -1.950 11.868 -4.638 167 HD22 LEU 23 HD22 LEU 23 -0.222 11.752 -4.974 168 HD23 LEU 23 HD23 LEU 23 -1.137 10.303 -4.559 169 H LEU 24 H LEU 24 -4.533 8.605 -7.862 170 HA LEU 24 HA LEU 24 -7.278 9.195 -7.315 171 HB2 LEU 24 HB3 LEU 24 -7.852 7.469 -8.942 172 HB3 LEU 24 HB2 LEU 24 -6.530 8.465 -9.562 173 HG LEU 24 HG LEU 24 -5.118 6.495 -8.307 174 HD11 LEU 24 HD11 LEU 24 -6.150 4.351 -8.716 175 HD12 LEU 24 HD12 LEU 24 -7.511 5.103 -9.543 176 HD13 LEU 24 HD13 LEU 24 -7.314 5.310 -7.807 177 HD21 LEU 24 HD21 LEU 24 -5.074 5.431 -10.664 178 HD22 LEU 24 HD22 LEU 24 -4.601 7.125 -10.539 179 HD23 LEU 24 HD23 LEU 24 -6.209 6.699 -11.119 180 H LYS 25 H LYS 25 -5.236 6.360 -6.536 181 HA LYS 25 HA LYS 25 -7.193 4.721 -5.365 182 HB2 LYS 25 HB3 LYS 25 -4.308 5.263 -4.651 183 HB3 LYS 25 HB2 LYS 25 -5.276 4.149 -3.689 184 HG2 LYS 25 HG3 LYS 25 -5.619 2.681 -5.520 185 HG3 LYS 25 HG2 LYS 25 -5.118 3.895 -6.693 186 HD2 LYS 25 HD3 LYS 25 -2.821 3.715 -6.033 187 HD3 LYS 25 HD2 LYS 25 -3.236 2.780 -4.604 188 HE2 LYS 25 HE3 LYS 25 -3.968 0.911 -5.978 189 HE3 LYS 25 HE2 LYS 25 -3.730 1.857 -7.446 190 HZ1 LYS 25 HZ1 LYS 25 -1.333 2.094 -6.426 191 HZ2 LYS 25 HZ2 LYS 25 -1.765 0.753 -7.376 192 HZ3 LYS 25 HZ3 LYS 25 -1.749 0.628 -5.682 193 H SER 26 H SER 26 -5.501 7.527 -4.035 194 HA SER 26 HA SER 26 -6.847 7.517 -1.474 195 HB2 SER 26 HB3 SER 26 -4.637 8.739 -2.247 196 HB3 SER 26 HB2 SER 26 -5.734 9.990 -2.796 197 HG SER 26 HG SER 26 -4.999 10.257 -0.607 198 H LYS 27 H LYS 27 -8.248 7.670 -4.347 199 HA LYS 27 HA LYS 27 -9.609 10.065 -4.654 200 HB2 LYS 27 HB3 LYS 27 -11.597 8.551 -5.441 201 HB3 LYS 27 HB2 LYS 27 -10.086 8.550 -6.343 202 HG2 LYS 27 HG3 LYS 27 -9.576 6.402 -5.762 203 HG3 LYS 27 HG2 LYS 27 -10.227 6.577 -4.126 204 HD2 LYS 27 HD3 LYS 27 -11.615 5.012 -5.374 205 HD3 LYS 27 HD2 LYS 27 -12.535 6.495 -5.113 206 HE2 LYS 27 HE3 LYS 27 -11.933 7.280 -7.368 207 HE3 LYS 27 HE2 LYS 27 -10.988 5.816 -7.632 208 HZ1 LYS 27 HZ1 LYS 27 -13.532 6.054 -8.345 209 HZ2 LYS 27 HZ2 LYS 27 -13.740 5.431 -6.778 210 HZ3 LYS 27 HZ3 LYS 27 -12.826 4.571 -7.924 211 H GLY 28 H GLY 28 -10.724 7.363 -2.503 212 HA2 GLY 28 HA3 GLY 28 -11.471 8.614 -0.305 213 HA3 GLY 28 HA2 GLY 28 -12.677 9.298 -1.378 214 H THR 29 H THR 29 -11.970 6.124 -2.339 215 HA THR 29 HA THR 29 -13.776 4.865 -0.413 216 HB THR 29 HB THR 29 -15.081 4.338 -2.836 217 HG1 THR 29 HG1 THR 29 -14.110 6.929 -2.638 218 HG21 THR 29 HG21 THR 29 -16.971 5.383 -1.776 219 HG22 THR 29 HG22 THR 29 -15.919 6.346 -0.739 220 HG23 THR 29 HG23 THR 29 -16.030 4.603 -0.505 221 H CYS 30 H CYS 30 -13.831 2.606 -0.588 222 HA CYS 30 HA CYS 30 -11.576 1.268 -1.757 223 HB2 CYS 30 HB3 CYS 30 -12.894 0.347 0.161 224 HB3 CYS 30 HB2 CYS 30 -14.254 0.091 -0.930 225 H GLN 31 H GLN 31 -11.464 0.105 -3.764 226 HA GLN 31 HA GLN 31 -13.378 1.028 -5.772 227 HB2 GLN 31 HB3 GLN 31 -12.019 -0.397 -7.332 228 HB3 GLN 31 HB2 GLN 31 -11.101 0.852 -6.500 229 HG2 GLN 31 HG3 GLN 31 -9.781 -1.140 -6.374 230 HG3 GLN 31 HG2 GLN 31 -10.490 -0.930 -4.779 231 HE21 GLN 31 HE21 GLN 31 -10.308 -3.297 -4.427 232 HE22 GLN 31 HE22 GLN 31 -11.412 -4.356 -5.165 233 H SER 32 H SER 32 -13.154 -1.706 -3.708 234 HA SER 32 HA SER 32 -15.123 -3.170 -5.428 235 HB2 SER 32 HB3 SER 32 -13.097 -4.143 -3.415 236 HB3 SER 32 HB2 SER 32 -14.442 -5.150 -3.943 237 HG SER 32 HG SER 32 -13.689 -5.021 -6.031 238 H CYS 33 H CYS 33 -14.789 -1.378 -2.551 239 HA CYS 33 HA CYS 33 -17.389 -2.499 -1.568 240 HB2 CYS 33 HB3 CYS 33 -15.177 -1.391 0.182 241 HB3 CYS 33 HB2 CYS 33 -16.677 -2.132 0.715 242 H GLY 34 H GLY 34 -15.506 0.340 -2.351 243 HA2 GLY 34 HA3 GLY 34 -16.100 2.619 -2.273 244 HA3 GLY 34 HA2 GLY 34 -17.749 2.048 -2.526 245 H VAL 35 H VAL 35 -15.324 2.207 0.081 246 HA VAL 35 HA VAL 35 -17.531 2.520 2.047 247 HB VAL 35 HB VAL 35 -15.878 1.876 3.727 248 HG11 VAL 35 HG11 VAL 35 -16.270 0.254 1.246 249 HG12 VAL 35 HG12 VAL 35 -16.769 -0.083 2.899 250 HG13 VAL 35 HG13 VAL 35 -15.090 -0.331 2.416 251 HG21 VAL 35 HG21 VAL 35 -13.573 1.189 2.809 252 HG22 VAL 35 HG22 VAL 35 -13.874 2.915 2.971 253 HG23 VAL 35 HG23 VAL 35 -13.977 2.146 1.386 254 H THR 36 H THR 36 -14.330 4.053 1.315 255 HA THR 36 HA THR 36 -15.144 6.702 1.541 256 HB THR 36 HB THR 36 -14.054 6.726 4.132 257 HG1 THR 36 HG1 THR 36 -14.829 4.353 3.814 258 HG21 THR 36 HG21 THR 36 -16.556 7.149 4.744 259 HG22 THR 36 HG22 THR 36 -16.824 7.052 3.005 260 HG23 THR 36 HG23 THR 36 -15.739 8.276 3.662 261 H GLY 37 H GLY 37 -13.151 8.069 2.628 262 HA2 GLY 37 HA3 GLY 37 -10.762 7.042 1.231 263 HA3 GLY 37 HA2 GLY 37 -10.990 8.680 1.806 264 HA PRO 38 HA PRO 38 -8.979 8.143 5.631 265 HB2 PRO 38 HB3 PRO 38 -11.407 7.730 7.257 266 HB3 PRO 38 HB2 PRO 38 -10.150 8.962 7.416 267 HG2 PRO 38 HG3 PRO 38 -12.635 9.470 6.424 268 HG3 PRO 38 HG2 PRO 38 -11.191 10.404 6.008 269 HD2 PRO 38 HD3 PRO 38 -12.709 8.497 4.343 270 HD3 PRO 38 HD2 PRO 38 -11.575 9.768 3.844 271 H ASN 39 H ASN 39 -7.958 6.388 6.352 272 HA ASN 39 HA ASN 39 -7.561 4.223 7.128 273 HB2 ASN 39 HB3 ASN 39 -10.113 4.721 8.055 274 HB3 ASN 39 HB2 ASN 39 -10.357 3.276 7.069 275 HD21 ASN 39 HD21 ASN 39 -10.421 3.457 10.047 276 HD22 ASN 39 HD22 ASN 39 -9.217 2.398 10.604 277 H LEU 40 H LEU 40 -7.983 4.987 4.207 278 HA LEU 40 HA LEU 40 -9.032 2.486 3.064 279 HB2 LEU 40 HB3 LEU 40 -7.925 5.029 1.919 280 HB3 LEU 40 HB2 LEU 40 -7.930 3.594 0.911 281 HG LEU 40 HG LEU 40 -10.320 5.003 2.137 282 HD11 LEU 40 HD11 LEU 40 -9.284 5.806 -0.030 283 HD12 LEU 40 HD12 LEU 40 -10.969 5.308 -0.171 284 HD13 LEU 40 HD13 LEU 40 -9.689 4.240 -0.719 285 HD21 LEU 40 HD21 LEU 40 -11.495 3.090 0.692 286 HD22 LEU 40 HD22 LEU 40 -11.062 2.805 2.375 287 HD23 LEU 40 HD23 LEU 40 -10.022 2.205 1.081 288 H TRP 41 H TRP 41 -7.553 1.322 1.453 289 HA TRP 41 HA TRP 41 -4.680 1.407 2.062 290 HB2 TRP 41 HB3 TRP 41 -6.271 -1.095 2.709 291 HB3 TRP 41 HB2 TRP 41 -4.526 -0.901 2.857 292 HD1 TRP 41 HD TRP 41 -7.781 0.549 4.312 293 HE1 TRP 41 HE1 TRP 41 -7.319 1.336 6.722 294 HE3 TRP 41 HE3 TRP 41 -2.758 -0.335 4.588 295 HZ2 TRP 41 HZ2 TRP 41 -5.122 1.551 8.531 296 HZ3 TRP 41 HZ3 TRP 41 -1.511 0.166 6.671 297 HH2 TRP 41 HH2 TRP 41 -2.684 1.105 8.640 298 H ALA 42 H ALA 42 -4.424 1.718 -0.187 299 HA ALA 42 HA ALA 42 -5.596 -0.255 -2.023 300 HB1 ALA 42 HB1 ALA 42 -3.758 2.089 -2.555 301 HB2 ALA 42 HB2 ALA 42 -5.517 2.133 -2.648 302 HB3 ALA 42 HB3 ALA 42 -4.599 1.142 -3.780 303 H CYS 43 H CYS 43 -4.455 -1.764 -3.187 304 HA CYS 43 HA CYS 43 -2.097 -2.894 -2.059 305 HB2 CYS 43 HB3 CYS 43 -3.896 -3.845 -3.756 306 HB3 CYS 43 HB2 CYS 43 -2.747 -3.271 -4.964 307 H LEU 44 H LEU 44 0.100 -2.840 -2.885 308 HA LEU 44 HA LEU 44 0.663 -0.564 -4.740 309 HB2 LEU 44 HB3 LEU 44 1.004 -0.002 -2.283 310 HB3 LEU 44 HB2 LEU 44 2.305 -1.188 -2.283 311 HG LEU 44 HG LEU 44 3.093 0.196 -4.431 312 HD11 LEU 44 HD11 LEU 44 1.702 2.315 -2.779 313 HD12 LEU 44 HD12 LEU 44 1.034 1.663 -4.274 314 HD13 LEU 44 HD13 LEU 44 2.565 2.537 -4.300 315 HD21 LEU 44 HD21 LEU 44 4.343 -0.118 -2.284 316 HD22 LEU 44 HD22 LEU 44 3.469 1.258 -1.615 317 HD23 LEU 44 HD23 LEU 44 4.563 1.488 -2.978 318 H GLN 45 H GLN 45 0.614 -3.288 -5.564 319 HA GLN 45 HA GLN 45 3.453 -4.113 -5.577 320 HB2 GLN 45 HB3 GLN 45 1.469 -5.551 -7.267 321 HB3 GLN 45 HB2 GLN 45 2.767 -6.190 -6.252 322 HG2 GLN 45 HG3 GLN 45 0.316 -4.883 -5.072 323 HG3 GLN 45 HG2 GLN 45 0.369 -6.596 -5.456 324 HE21 GLN 45 HE21 GLN 45 2.818 -7.466 -4.667 325 HE22 GLN 45 HE22 GLN 45 3.112 -7.125 -3.031 326 H VAL 46 H VAL 46 4.687 -4.249 -7.460 327 HA VAL 46 HA VAL 46 4.789 -2.176 -9.235 328 HB VAL 46 HB VAL 46 6.415 -4.108 -9.061 329 HG11 VAL 46 HG11 VAL 46 4.535 -5.814 -9.456 330 HG12 VAL 46 HG12 VAL 46 6.050 -6.093 -10.314 331 HG13 VAL 46 HG13 VAL 46 4.671 -5.396 -11.164 332 HG21 VAL 46 HG21 VAL 46 7.145 -3.910 -11.397 333 HG22 VAL 46 HG22 VAL 46 6.581 -2.346 -10.809 334 HG23 VAL 46 HG23 VAL 46 5.550 -3.317 -11.860 335 H ALA 47 H ALA 47 2.354 -4.694 -9.337 336 HA ALA 47 HA ALA 47 1.150 -3.283 -11.649 337 HB1 ALA 47 HB1 ALA 47 0.780 -5.501 -12.815 338 HB2 ALA 47 HB2 ALA 47 1.940 -6.201 -11.687 339 HB3 ALA 47 HB3 ALA 47 2.449 -4.932 -12.801 340 H CYS 48 H CYS 48 0.049 -3.145 -9.165 341 HA CYS 48 HA CYS 48 -2.394 -4.809 -9.516 342 HB2 CYS 48 HB3 CYS 48 -0.817 -5.803 -7.751 343 HB3 CYS 48 HB2 CYS 48 -1.194 -4.378 -6.782 344 HA PRO 49 HA PRO 49 -3.411 -0.433 -8.541 345 HB2 PRO 49 HB3 PRO 49 -4.940 0.098 -10.705 346 HB3 PRO 49 HB2 PRO 49 -3.167 0.144 -10.778 347 HG2 PRO 49 HG3 PRO 49 -5.045 -1.931 -11.770 348 HG3 PRO 49 HG2 PRO 49 -3.498 -1.392 -12.440 349 HD2 PRO 49 HD3 PRO 49 -3.891 -3.706 -10.881 350 HD3 PRO 49 HD2 PRO 49 -2.323 -2.952 -11.241 351 H TYR 50 H TYR 50 -4.793 -0.898 -6.805 352 HA TYR 50 HA TYR 50 -7.643 -0.954 -7.350 353 HB2 TYR 50 HB3 TYR 50 -6.272 -3.412 -6.224 354 HB3 TYR 50 HB2 TYR 50 -7.989 -3.091 -5.988 355 HD1 TYR 50 HD1 TYR 50 -5.554 -4.527 -8.160 356 HD2 TYR 50 HD2 TYR 50 -9.385 -2.584 -8.143 357 HE1 TYR 50 HE1 TYR 50 -6.039 -5.462 -10.404 358 HE2 TYR 50 HE2 TYR 50 -9.869 -3.520 -10.387 359 HH TYR 50 HH TYR 50 -8.197 -6.029 -11.731 360 H VAL 51 H VAL 51 -8.591 0.148 -5.651 361 HA VAL 51 HA VAL 51 -6.904 0.550 -3.241 362 HB VAL 51 HB VAL 51 -7.457 2.635 -4.162 363 HG11 VAL 51 HG11 VAL 51 -10.295 1.597 -4.426 364 HG12 VAL 51 HG12 VAL 51 -9.158 1.874 -5.745 365 HG13 VAL 51 HG13 VAL 51 -9.779 3.236 -4.815 366 HG21 VAL 51 HG21 VAL 51 -8.429 3.666 -2.364 367 HG22 VAL 51 HG22 VAL 51 -8.185 2.078 -1.639 368 HG23 VAL 51 HG23 VAL 51 -9.766 2.521 -2.282 369 H GLY 52 H GLY 52 -7.336 -1.085 -1.853 370 HA2 GLY 52 HA3 GLY 52 -10.075 -2.066 -1.499 371 HA3 GLY 52 HA2 GLY 52 -8.642 -2.699 -0.707 372 H CYS 53 H CYS 53 -10.414 -2.605 1.068 373 HA CYS 53 HA CYS 53 -10.620 0.065 2.357 374 HB2 CYS 53 HB3 CYS 53 -11.916 -1.662 4.029 375 HB3 CYS 53 HB2 CYS 53 -12.721 -0.820 2.731 376 H GLY 54 H GLY 54 -10.567 -0.078 4.748 377 HA2 GLY 54 HA3 GLY 54 -8.324 -1.787 5.749 378 HA3 GLY 54 HA2 GLY 54 -8.615 -0.133 6.329 379 H GLU 55 H GLU 55 -8.824 -2.449 8.079 380 HA GLU 55 HA GLU 55 -11.127 -3.712 8.591 381 HB2 GLU 55 HB3 GLU 55 -10.997 -3.211 10.937 382 HB3 GLU 55 HB2 GLU 55 -9.347 -3.255 10.320 383 HG2 GLU 55 HG3 GLU 55 -9.580 -0.719 9.989 384 HG3 GLU 55 HG2 GLU 55 -11.011 -0.837 11.012 385 H SER 56 H SER 56 -10.825 -0.238 8.617 386 HA SER 56 HA SER 56 -13.111 0.852 9.530 387 HB2 SER 56 HB3 SER 56 -11.479 1.311 7.144 388 HB3 SER 56 HB2 SER 56 -13.141 1.819 6.913 389 HG SER 56 HG SER 56 -12.920 2.944 8.956 390 H PHE 57 H PHE 57 -12.916 -1.136 6.582 391 HA PHE 57 HA PHE 57 -15.896 -1.484 6.737 392 HB2 PHE 57 HB3 PHE 57 -15.235 -0.358 4.674 393 HB3 PHE 57 HB2 PHE 57 -14.118 -1.648 4.303 394 HD1 PHE 57 HD1 PHE 57 -14.864 -3.360 2.892 395 HD2 PHE 57 HD2 PHE 57 -17.713 -1.200 5.274 396 HE1 PHE 57 HE1 PHE 57 -16.709 -4.658 1.863 397 HE2 PHE 57 HE2 PHE 57 -19.557 -2.498 4.244 398 HZ PHE 57 HZ PHE 57 -19.056 -4.227 2.538 399 H ALA 58 H ALA 58 -13.813 -3.287 4.651 400 HA ALA 58 HA ALA 58 -14.200 -5.724 6.364 401 HB1 ALA 58 HB1 ALA 58 -15.532 -5.662 4.197 402 HB2 ALA 58 HB2 ALA 58 -14.447 -7.042 4.366 403 HB3 ALA 58 HB3 ALA 58 -13.990 -5.682 3.341 404 H ASP 59 H ASP 59 -12.008 -3.549 5.266 405 HA ASP 59 HA ASP 59 -9.690 -3.545 5.037 406 HB2 ASP 59 HB3 ASP 59 -9.704 -4.388 7.297 407 HB3 ASP 59 HB2 ASP 59 -10.029 -6.020 6.748 408 H HIS 60 H HIS 60 -10.506 -4.256 2.655 409 HA HIS 60 HA HIS 60 -10.117 -6.875 1.690 410 HB2 HIS 60 HB3 HIS 60 -9.945 -4.175 0.537 411 HB3 HIS 60 HB2 HIS 60 -8.891 -5.317 -0.265 412 HD2 HIS 60 HD2 HIS 60 -10.495 -7.862 -0.864 413 HE1 HIS 60 HE1 HIS 60 -13.902 -5.536 -1.744 414 HE2 HIS 60 HE2 HIS 60 -12.843 -7.823 -1.989 415 H SER 61 H SER 61 -7.924 -4.541 2.940 416 HA SER 61 HA SER 61 -5.418 -5.212 1.971 417 HB2 SER 61 HB3 SER 61 -6.242 -3.653 3.963 418 HB3 SER 61 HB2 SER 61 -5.733 -5.017 4.945 419 HG SER 61 HG SER 61 -4.210 -3.500 3.093 420 H THR 62 H THR 62 -7.431 -7.148 4.140 421 HA THR 62 HA THR 62 -5.246 -9.067 4.557 422 HB THR 62 HB THR 62 -7.214 -10.336 5.693 423 HG1 THR 62 HG1 THR 62 -9.017 -9.316 5.427 424 HG21 THR 62 HG21 THR 62 -5.564 -9.505 7.129 425 HG22 THR 62 HG22 THR 62 -7.000 -8.643 7.680 426 HG23 THR 62 HG23 THR 62 -5.836 -7.835 6.630 427 H ILE 63 H ILE 63 -8.641 -9.481 3.479 428 HA ILE 63 HA ILE 63 -8.189 -11.994 2.323 429 HB ILE 63 HB ILE 63 -10.200 -11.466 0.865 430 HG12 ILE 63 HG13 ILE 63 -10.324 -8.989 2.586 431 HG13 ILE 63 HG12 ILE 63 -9.637 -8.986 0.963 432 HG21 ILE 63 HG21 ILE 63 -11.724 -11.301 2.903 433 HG22 ILE 63 HG22 ILE 63 -10.263 -11.142 3.878 434 HG23 ILE 63 HG23 ILE 63 -10.546 -12.614 2.948 435 HD11 ILE 63 HD11 ILE 63 -12.109 -8.364 1.109 436 HD12 ILE 63 HD12 ILE 63 -12.407 -10.044 1.550 437 HD13 ILE 63 HD13 ILE 63 -11.712 -9.656 -0.024 438 H HIS 64 H HIS 64 -7.680 -8.792 1.034 439 HA HIS 64 HA HIS 64 -7.203 -9.623 -1.696 440 HB2 HIS 64 HB3 HIS 64 -7.769 -7.273 -1.122 441 HB3 HIS 64 HB2 HIS 64 -6.225 -7.126 -0.278 442 HD1 HIS 64 HD1 HIS 64 -7.714 -6.776 -3.588 443 HD2 HIS 64 HD2 HIS 64 -3.922 -7.641 -2.089 444 HE1 HIS 64 HE1 HIS 64 -6.090 -6.446 -5.507 445 H ALA 65 H ALA 65 -5.084 -8.991 1.116 446 HA ALA 65 HA ALA 65 -2.666 -9.632 -0.426 447 HB1 ALA 65 HB1 ALA 65 -3.225 -9.270 2.534 448 HB2 ALA 65 HB2 ALA 65 -2.346 -8.178 1.464 449 HB3 ALA 65 HB3 ALA 65 -1.635 -9.727 1.921 450 H GLN 66 H GLN 66 -5.137 -11.201 1.202 451 HA GLN 66 HA GLN 66 -3.799 -13.723 1.803 452 HB2 GLN 66 HB3 GLN 66 -5.582 -12.927 3.209 453 HB3 GLN 66 HB2 GLN 66 -6.607 -12.669 1.824 454 HG2 GLN 66 HG3 GLN 66 -7.517 -14.630 2.513 455 HG3 GLN 66 HG2 GLN 66 -6.235 -15.297 1.499 456 HE21 GLN 66 HE21 GLN 66 -7.583 -16.006 4.323 457 HE22 GLN 66 HE22 GLN 66 -6.231 -16.451 5.248 458 H ALA 67 H ALA 67 -5.961 -12.438 -0.705 459 HA ALA 67 HA ALA 67 -6.208 -15.076 -1.981 460 HB1 ALA 67 HB1 ALA 67 -7.451 -13.490 -3.723 461 HB2 ALA 67 HB2 ALA 67 -7.459 -12.386 -2.348 462 HB3 ALA 67 HB3 ALA 67 -8.224 -13.968 -2.211 463 H LYS 68 H LYS 68 -4.827 -11.893 -2.716 464 HA LYS 68 HA LYS 68 -3.530 -13.012 -5.139 465 HB2 LYS 68 HB3 LYS 68 -3.553 -10.181 -4.057 466 HB3 LYS 68 HB2 LYS 68 -2.968 -10.691 -5.638 467 HG2 LYS 68 HG3 LYS 68 -5.107 -10.140 -6.286 468 HG3 LYS 68 HG2 LYS 68 -5.444 -11.777 -5.723 469 HD2 LYS 68 HD3 LYS 68 -6.133 -10.942 -3.546 470 HD3 LYS 68 HD2 LYS 68 -5.677 -9.304 -3.998 471 HE2 LYS 68 HE3 LYS 68 -7.412 -9.165 -5.635 472 HE3 LYS 68 HE2 LYS 68 -7.724 -10.898 -5.544 473 HZ1 LYS 68 HZ1 LYS 68 -8.471 -8.772 -3.672 474 HZ2 LYS 68 HZ2 LYS 68 -8.156 -10.320 -3.047 475 HZ3 LYS 68 HZ3 LYS 68 -9.374 -10.102 -4.211 476 H LYS 69 H LYS 69 -2.878 -12.965 -1.963 477 HA LYS 69 HA LYS 69 -0.933 -13.180 -0.697 478 HB2 LYS 69 HB3 LYS 69 -0.182 -14.132 -3.428 479 HB3 LYS 69 HB2 LYS 69 1.120 -13.871 -2.271 480 HG2 LYS 69 HG3 LYS 69 0.145 -16.214 -2.281 481 HG3 LYS 69 HG2 LYS 69 0.162 -15.418 -0.708 482 HD2 LYS 69 HD3 LYS 69 -2.142 -15.137 -0.667 483 HD3 LYS 69 HD2 LYS 69 -2.276 -15.091 -2.424 484 HE2 LYS 69 HE3 LYS 69 -1.821 -17.505 -2.537 485 HE3 LYS 69 HE2 LYS 69 -1.645 -17.562 -0.783 486 HZ1 LYS 69 HZ1 LYS 69 -3.835 -18.219 -1.214 487 HZ2 LYS 69 HZ2 LYS 69 -4.081 -16.991 -2.362 488 HZ3 LYS 69 HZ3 LYS 69 -3.968 -16.605 -0.712 489 H HIS 70 H HIS 70 -1.535 -10.544 -2.305 490 HA HIS 70 HA HIS 70 1.139 -9.384 -2.633 491 HB2 HIS 70 HB3 HIS 70 -1.624 -8.125 -2.524 492 HB3 HIS 70 HB2 HIS 70 -0.145 -7.219 -2.806 493 HD2 HIS 70 HD2 HIS 70 1.239 -9.527 -4.863 494 HE1 HIS 70 HE1 HIS 70 -2.146 -8.718 -7.247 495 HE2 HIS 70 HE2 HIS 70 0.178 -9.730 -7.232 496 H ASN 71 H ASN 71 2.391 -8.656 -0.954 497 HA ASN 71 HA ASN 71 1.177 -8.618 1.739 498 HB2 ASN 71 HB3 ASN 71 4.039 -7.958 1.438 499 HB3 ASN 71 HB2 ASN 71 3.251 -9.121 2.498 500 HD21 ASN 71 HD21 ASN 71 5.498 -9.146 0.186 501 HD22 ASN 71 HD22 ASN 71 5.130 -10.592 -0.620 502 H LEU 72 H LEU 72 3.039 -6.388 -0.340 503 HA LEU 72 HA LEU 72 2.786 -4.239 1.611 504 HB2 LEU 72 HB3 LEU 72 3.839 -4.324 -1.210 505 HB3 LEU 72 HB2 LEU 72 3.882 -2.884 -0.195 506 HG LEU 72 HG LEU 72 5.020 -5.525 0.726 507 HD11 LEU 72 HD11 LEU 72 6.285 -5.095 -1.221 508 HD12 LEU 72 HD12 LEU 72 7.252 -4.402 0.080 509 HD13 LEU 72 HD13 LEU 72 6.273 -3.356 -0.949 510 HD21 LEU 72 HD21 LEU 72 4.796 -4.054 2.565 511 HD22 LEU 72 HD22 LEU 72 5.202 -2.636 1.599 512 HD23 LEU 72 HD23 LEU 72 6.458 -3.788 2.044 513 H THR 73 H THR 73 1.474 -2.557 1.630 514 HA THR 73 HA THR 73 -0.227 -1.843 -0.658 515 HB THR 73 HB THR 73 -2.268 -2.422 0.238 516 HG1 THR 73 HG1 THR 73 -1.057 -1.472 2.535 517 HG21 THR 73 HG21 THR 73 -2.201 -4.450 1.637 518 HG22 THR 73 HG22 THR 73 -0.496 -4.160 1.981 519 HG23 THR 73 HG23 THR 73 -1.012 -4.541 0.337 520 H VAL 74 H VAL 74 -1.219 0.381 -0.176 521 HA VAL 74 HA VAL 74 0.357 1.733 1.984 522 HB VAL 74 HB VAL 74 1.308 2.456 -0.058 523 HG11 VAL 74 HG11 VAL 74 -1.563 2.798 -0.994 524 HG12 VAL 74 HG12 VAL 74 -0.385 1.640 -1.604 525 HG13 VAL 74 HG13 VAL 74 -0.161 3.363 -1.901 526 HG21 VAL 74 HG21 VAL 74 -0.777 4.582 0.505 527 HG22 VAL 74 HG22 VAL 74 0.892 4.805 -0.020 528 HG23 VAL 74 HG23 VAL 74 0.550 4.255 1.619 529 H ASN 75 H ASN 75 -0.709 2.951 3.392 530 HA ASN 75 HA ASN 75 -3.644 3.071 3.218 531 HB2 ASN 75 HB3 ASN 75 -2.311 2.517 5.333 532 HB3 ASN 75 HB2 ASN 75 -1.888 4.227 5.389 533 HD21 ASN 75 HD21 ASN 75 -3.368 3.345 7.527 534 HD22 ASN 75 HD22 ASN 75 -4.978 3.866 7.409 535 H LEU 76 H LEU 76 -4.241 4.658 1.767 536 HA LEU 76 HA LEU 76 -2.862 7.169 1.477 537 HB2 LEU 76 HB3 LEU 76 -5.754 6.631 0.783 538 HB3 LEU 76 HB2 LEU 76 -4.643 7.755 0.006 539 HG LEU 76 HG LEU 76 -3.529 5.069 -0.006 540 HD11 LEU 76 HD11 LEU 76 -6.141 5.349 -1.493 541 HD12 LEU 76 HD12 LEU 76 -5.982 4.487 0.035 542 HD13 LEU 76 HD13 LEU 76 -5.110 3.926 -1.387 543 HD21 LEU 76 HD21 LEU 76 -3.113 7.179 -1.511 544 HD22 LEU 76 HD22 LEU 76 -4.456 6.532 -2.452 545 HD23 LEU 76 HD23 LEU 76 -3.004 5.568 -2.215 546 H THR 77 H THR 77 -4.313 6.038 4.096 547 HA THR 77 HA THR 77 -5.875 8.430 4.846 548 HB THR 77 HB THR 77 -5.130 5.988 6.484 549 HG1 THR 77 HG1 THR 77 -6.448 5.732 4.512 550 HG21 THR 77 HG21 THR 77 -5.737 7.820 7.915 551 HG22 THR 77 HG22 THR 77 -7.136 6.752 7.821 552 HG23 THR 77 HG23 THR 77 -7.102 8.246 6.885 553 H THR 78 H THR 78 -2.867 6.774 5.678 554 HA THR 78 HA THR 78 -2.007 9.224 7.173 555 HB THR 78 HB THR 78 -0.979 6.414 7.602 556 HG1 THR 78 HG1 THR 78 -3.318 7.514 8.302 557 HG21 THR 78 HG21 THR 78 -0.755 9.012 9.142 558 HG22 THR 78 HG22 THR 78 0.552 8.105 8.383 559 HG23 THR 78 HG23 THR 78 -0.272 7.446 9.795 560 H PHE 79 H PHE 79 -1.322 7.150 4.528 561 HA PHE 79 HA PHE 79 0.291 7.441 2.839 562 HB2 PHE 79 HB3 PHE 79 1.797 9.436 4.511 563 HB3 PHE 79 HB2 PHE 79 1.632 9.348 2.759 564 HD1 PHE 79 HD1 PHE 79 -1.154 9.164 2.200 565 HD2 PHE 79 HD2 PHE 79 0.791 11.384 5.321 566 HE1 PHE 79 HE1 PHE 79 -3.078 10.725 2.287 567 HE2 PHE 79 HE2 PHE 79 -1.134 12.946 5.408 568 HZ PHE 79 HZ PHE 79 -3.068 12.616 3.892 569 H ARG 80 H ARG 80 0.568 5.292 4.351 570 HA ARG 80 HA ARG 80 3.506 5.006 4.581 571 HB2 ARG 80 HB3 ARG 80 2.688 3.414 6.660 572 HB3 ARG 80 HB2 ARG 80 3.368 5.024 6.861 573 HG2 ARG 80 HG3 ARG 80 1.280 6.002 7.244 574 HG3 ARG 80 HG2 ARG 80 0.412 4.732 6.378 575 HD2 ARG 80 HD3 ARG 80 0.634 3.197 8.157 576 HD3 ARG 80 HD2 ARG 80 1.921 4.131 8.920 577 HE ARG 80 HE ARG 80 -0.738 5.419 8.751 578 HH11 ARG 80 HH11 ARG 80 -1.590 6.027 10.747 579 HH12 ARG 80 HH12 ARG 80 -0.828 5.482 12.203 580 HH21 ARG 80 HH21 ARG 80 1.654 3.706 10.558 581 HH22 ARG 80 HH22 ARG 80 1.008 4.171 12.096 582 H LEU 81 H LEU 81 3.799 2.429 5.030 583 HA LEU 81 HA LEU 81 1.921 1.114 3.115 584 HB2 LEU 81 HB3 LEU 81 4.851 1.053 3.412 585 HB3 LEU 81 HB2 LEU 81 4.109 -0.489 3.037 586 HG LEU 81 HG LEU 81 3.258 1.916 1.485 587 HD11 LEU 81 HD11 LEU 81 5.158 1.656 -0.070 588 HD12 LEU 81 HD12 LEU 81 5.865 0.447 1.001 589 HD13 LEU 81 HD13 LEU 81 5.712 2.119 1.539 590 HD21 LEU 81 HD21 LEU 81 2.907 -0.906 1.317 591 HD22 LEU 81 HD22 LEU 81 3.897 -0.442 -0.060 592 HD23 LEU 81 HD23 LEU 81 2.327 0.316 0.189 593 H TRP 82 H TRP 82 2.134 -1.386 3.421 594 HA TRP 82 HA TRP 82 2.388 -2.232 6.215 595 HB2 TRP 82 HB3 TRP 82 0.049 -1.239 5.927 596 HB3 TRP 82 HB2 TRP 82 -0.276 -2.573 4.826 597 HD1 TRP 82 HD TRP 82 1.471 -2.431 8.289 598 HE1 TRP 82 HE1 TRP 82 0.423 -4.252 9.781 599 HE3 TRP 82 HE3 TRP 82 -2.033 -4.296 5.078 600 HZ2 TRP 82 HZ2 TRP 82 -1.630 -6.237 9.635 601 HZ3 TRP 82 HZ3 TRP 82 -3.522 -6.148 5.780 602 HH2 TRP 82 HH2 TRP 82 -3.325 -7.120 8.052 603 H CYS 83 H CYS 83 3.625 -3.998 5.848 604 HA CYS 83 HA CYS 83 3.190 -5.598 3.407 605 HB2 CYS 83 HB3 CYS 83 5.461 -4.824 4.675 606 HB3 CYS 83 HB2 CYS 83 5.225 -6.415 5.392 607 H TYR 84 H TYR 84 1.588 -7.152 3.622 608 HA TYR 84 HA TYR 84 0.953 -8.308 6.219 609 HB2 TYR 84 HB3 TYR 84 -0.574 -8.171 4.089 610 HB3 TYR 84 HB2 TYR 84 0.290 -9.621 3.572 611 HD1 TYR 84 HD1 TYR 84 -0.626 -11.680 4.170 612 HD2 TYR 84 HD2 TYR 84 -1.339 -8.261 6.670 613 HE1 TYR 84 HE1 TYR 84 -2.060 -13.060 5.650 614 HE2 TYR 84 HE2 TYR 84 -2.773 -9.640 8.150 615 HH TYR 84 HH TYR 84 -3.622 -11.647 8.533 616 H ALA 85 H ALA 85 3.608 -8.483 4.398 617 HA ALA 85 HA ALA 85 4.161 -11.358 4.894 618 HB1 ALA 85 HB1 ALA 85 5.484 -9.255 3.171 619 HB2 ALA 85 HB2 ALA 85 4.811 -10.809 2.677 620 HB3 ALA 85 HB3 ALA 85 6.315 -10.753 3.592 621 H CYS 86 H CYS 86 6.123 -8.342 5.027 622 HA CYS 86 HA CYS 86 7.677 -9.256 7.264 623 HB2 CYS 86 HB3 CYS 86 7.097 -6.383 6.444 624 HB3 CYS 86 HB2 CYS 86 8.459 -6.947 7.405 625 H GLU 87 H GLU 87 4.531 -8.277 6.783 626 HA GLU 87 HA GLU 87 2.767 -7.641 8.174 627 HB2 GLU 87 HB3 GLU 87 4.208 -9.859 9.258 628 HB3 GLU 87 HB2 GLU 87 3.616 -8.875 10.586 629 HG2 GLU 87 HG3 GLU 87 1.868 -9.746 8.281 630 HG3 GLU 87 HG2 GLU 87 2.004 -10.656 9.785 631 H LYS 88 H LYS 88 4.036 -5.468 7.967 632 HA LYS 88 HA LYS 88 3.973 -4.237 10.612 633 HB2 LYS 88 HB3 LYS 88 6.330 -3.259 10.266 634 HB3 LYS 88 HB2 LYS 88 6.238 -4.939 10.796 635 HG2 LYS 88 HG3 LYS 88 6.668 -5.760 8.600 636 HG3 LYS 88 HG2 LYS 88 6.404 -4.179 7.875 637 HD2 LYS 88 HD3 LYS 88 8.760 -4.406 7.924 638 HD3 LYS 88 HD2 LYS 88 8.397 -3.388 9.315 639 HE2 LYS 88 HE3 LYS 88 8.201 -5.984 10.330 640 HE3 LYS 88 HE2 LYS 88 9.583 -6.060 9.239 641 HZ1 LYS 88 HZ1 LYS 88 9.419 -4.875 11.782 642 HZ2 LYS 88 HZ2 LYS 88 9.759 -3.664 10.639 643 HZ3 LYS 88 HZ3 LYS 88 10.771 -5.023 10.768 644 H GLU 89 H GLU 89 4.902 -1.798 10.176 645 HA GLU 89 HA GLU 89 3.537 -0.898 7.668 646 HB2 GLU 89 HB3 GLU 89 3.167 -0.137 10.362 647 HB3 GLU 89 HB2 GLU 89 4.024 1.210 9.616 648 HG2 GLU 89 HG3 GLU 89 2.316 1.603 8.058 649 HG3 GLU 89 HG2 GLU 89 1.653 -0.023 8.221 650 H VAL 90 H VAL 90 4.669 0.560 6.279 651 HA VAL 90 HA VAL 90 7.323 1.508 7.200 652 HB VAL 90 HB VAL 90 8.066 0.495 4.757 653 HG11 VAL 90 HG11 VAL 90 8.142 -1.013 7.388 654 HG12 VAL 90 HG12 VAL 90 9.257 0.277 6.939 655 HG13 VAL 90 HG13 VAL 90 9.240 -1.231 6.026 656 HG21 VAL 90 HG21 VAL 90 5.763 -0.636 4.701 657 HG22 VAL 90 HG22 VAL 90 6.349 -1.655 6.017 658 HG23 VAL 90 HG23 VAL 90 7.156 -1.687 4.447 659 H PHE 91 H PHE 91 8.072 3.276 6.020 660 HA PHE 91 HA PHE 91 6.082 4.527 4.186 661 HB2 PHE 91 HB3 PHE 91 8.467 5.722 5.626 662 HB3 PHE 91 HB2 PHE 91 7.337 6.612 4.610 663 HD1 PHE 91 HD1 PHE 91 5.461 7.615 5.596 664 HD2 PHE 91 HD2 PHE 91 7.379 4.329 7.591 665 HE1 PHE 91 HE1 PHE 91 3.951 7.914 7.540 666 HE2 PHE 91 HE2 PHE 91 5.866 4.627 9.534 667 HZ PHE 91 HZ PHE 91 4.153 6.420 9.508 668 H LEU 92 H LEU 92 7.160 5.872 2.401 669 HA LEU 92 HA LEU 92 8.649 4.285 0.654 670 HB2 LEU 92 HB3 LEU 92 8.469 7.283 0.993 671 HB3 LEU 92 HB2 LEU 92 9.500 6.575 -0.249 672 HG LEU 92 HG LEU 92 7.204 7.164 -1.072 673 HD11 LEU 92 HD11 LEU 92 7.317 4.182 -1.193 674 HD12 LEU 92 HD12 LEU 92 8.724 5.065 -1.782 675 HD13 LEU 92 HD13 LEU 92 7.139 5.357 -2.495 676 HD21 LEU 92 HD21 LEU 92 5.285 5.956 -0.299 677 HD22 LEU 92 HD22 LEU 92 6.115 6.535 1.144 678 HD23 LEU 92 HD23 LEU 92 6.280 4.851 0.648 679 H GLU 93 H GLU 93 10.874 4.068 0.307 680 HA GLU 93 HA GLU 93 12.581 3.807 2.491 681 HB2 GLU 93 HB3 GLU 93 14.452 3.960 0.768 682 HB3 GLU 93 HB2 GLU 93 13.190 2.775 0.425 683 HG2 GLU 93 HG3 GLU 93 12.039 4.565 -0.967 684 HG3 GLU 93 HG2 GLU 93 13.504 5.532 -0.786 685 H GLN 94 H GLN 94 11.321 6.697 1.561 686 HA GLN 94 HA GLN 94 11.857 8.907 2.106 687 HB2 GLN 94 HB3 GLN 94 14.196 7.830 3.683 688 HB3 GLN 94 HB2 GLN 94 13.256 9.292 3.977 689 HG2 GLN 94 HG3 GLN 94 11.239 7.745 4.316 690 HG3 GLN 94 HG2 GLN 94 12.404 6.423 4.390 691 HE21 GLN 94 HE21 GLN 94 14.526 7.728 5.782 692 HE22 GLN 94 HE22 GLN 94 13.994 8.105 7.350 693 H ARG 95 H ARG 95 14.245 6.802 0.730 694 HA ARG 95 HA ARG 95 16.404 8.496 0.233 695 HB2 ARG 95 HB3 ARG 95 17.038 6.969 -1.380 696 HB3 ARG 95 HB2 ARG 95 15.786 6.019 -0.591 697 HG2 ARG 95 HG3 ARG 95 15.226 5.822 -2.858 698 HG3 ARG 95 HG2 ARG 95 14.169 7.118 -2.313 699 HD2 ARG 95 HD3 ARG 95 15.045 8.410 -3.951 700 HD3 ARG 95 HD2 ARG 95 16.577 8.388 -3.081 701 HE ARG 95 HE ARG 95 17.396 6.870 -4.687 702 HH11 ARG 95 HH11 ARG 95 17.182 5.571 -6.525 703 HH12 ARG 95 HH12 ARG 95 15.602 5.214 -7.138 704 HH21 ARG 95 HH21 ARG 95 13.953 7.040 -4.694 705 HH22 ARG 95 HH22 ARG 95 13.774 6.045 -6.100 706 H LEU 96 H LEU 96 13.204 8.547 -1.175 707 HA LEU 96 HA LEU 96 13.984 10.687 -3.073 708 HB2 LEU 96 HB3 LEU 96 11.595 10.514 -3.821 709 HB3 LEU 96 HB2 LEU 96 12.492 9.005 -3.967 710 HG LEU 96 HG LEU 96 11.501 8.735 -1.433 711 HD11 LEU 96 HD11 LEU 96 9.433 10.271 -3.036 712 HD12 LEU 96 HD12 LEU 96 10.198 10.805 -1.540 713 HD13 LEU 96 HD13 LEU 96 9.109 9.419 -1.526 714 HD21 LEU 96 HD21 LEU 96 10.201 8.003 -4.073 715 HD22 LEU 96 HD22 LEU 96 9.704 7.336 -2.518 716 HD23 LEU 96 HD23 LEU 96 11.327 7.022 -3.134 717 H ALA 97 H ALA 97 12.206 12.522 -3.170 718 HA ALA 97 HA ALA 97 11.165 13.286 -0.524 719 HB1 ALA 97 HB1 ALA 97 13.515 14.631 -1.834 720 HB2 ALA 97 HB2 ALA 97 13.278 14.219 -0.137 721 HB3 ALA 97 HB3 ALA 97 12.405 15.579 -0.844 722 H ALA 98 H ALA 98 9.152 13.223 -1.696 723 HA ALA 98 HA ALA 98 8.496 15.751 -2.989 724 HB1 ALA 98 HB1 ALA 98 7.589 14.475 -5.064 725 HB2 ALA 98 HB2 ALA 98 8.714 13.203 -4.588 726 HB3 ALA 98 HB3 ALA 98 9.320 14.809 -4.990 727 HA PRO 99 HA PRO 99 5.265 13.502 -0.393 728 HB2 PRO 99 HB3 PRO 99 4.673 16.408 0.025 729 HB3 PRO 99 HB2 PRO 99 4.676 15.078 1.200 730 HG2 PRO 99 HG3 PRO 99 6.670 16.839 1.096 731 HG3 PRO 99 HG2 PRO 99 6.960 15.127 1.455 732 HD2 PRO 99 HD3 PRO 99 7.547 16.648 -1.045 733 HD3 PRO 99 HD2 PRO 99 8.378 15.232 -0.363 Start of MODEL 3 1 H1 MET 1 H1 MET 1 17.238 1.816 -2.498 2 HA MET 1 HA MET 1 18.242 -0.205 -4.303 3 HB2 MET 1 HB3 MET 1 19.664 1.304 -2.104 4 HB3 MET 1 HB2 MET 1 20.341 0.668 -3.602 5 HG2 MET 1 HG3 MET 1 20.113 2.893 -4.201 6 HG3 MET 1 HG2 MET 1 18.527 2.298 -4.692 7 HE1 MET 1 HE1 MET 1 20.666 3.395 -1.924 8 HE2 MET 1 HE2 MET 1 19.699 4.371 -0.822 9 HE3 MET 1 HE3 MET 1 20.263 5.066 -2.339 10 H GLY 2 H GLY 2 16.620 -0.553 -1.498 11 HA2 GLY 2 HA3 GLY 2 16.469 -2.474 -0.121 12 HA3 GLY 2 HA2 GLY 2 17.902 -3.120 -0.922 13 H ASP 3 H ASP 3 18.180 -3.591 1.583 14 HA ASP 3 HA ASP 3 19.395 -3.142 3.541 15 HB2 ASP 3 HB3 ASP 3 21.134 -2.793 1.669 16 HB3 ASP 3 HB2 ASP 3 20.869 -1.066 1.912 17 H SER 4 H SER 4 17.992 -2.145 4.963 18 HA SER 4 HA SER 4 18.307 0.504 5.763 19 HB2 SER 4 HB3 SER 4 16.481 0.205 3.438 20 HB3 SER 4 HB2 SER 4 15.918 1.249 4.739 21 HG SER 4 HG SER 4 17.277 2.675 4.041 22 H ARG 5 H ARG 5 16.023 1.295 6.827 23 HA ARG 5 HA ARG 5 14.986 -1.108 8.281 24 HB2 ARG 5 HB3 ARG 5 14.227 1.087 9.782 25 HB3 ARG 5 HB2 ARG 5 15.669 0.116 10.079 26 HG2 ARG 5 HG3 ARG 5 17.071 1.632 8.915 27 HG3 ARG 5 HG2 ARG 5 15.702 2.431 8.141 28 HD2 ARG 5 HD3 ARG 5 16.774 3.682 10.100 29 HD3 ARG 5 HD2 ARG 5 15.025 3.468 10.179 30 HE ARG 5 HE ARG 5 16.478 1.324 11.512 31 HH11 ARG 5 HH11 ARG 5 16.275 1.260 13.763 32 HH12 ARG 5 HH12 ARG 5 15.652 2.642 14.602 33 HH21 ARG 5 HH21 ARG 5 15.214 4.524 11.723 34 HH22 ARG 5 HH22 ARG 5 15.052 4.490 13.447 35 H ASP 6 H ASP 6 14.030 2.042 6.927 36 HA ASP 6 HA ASP 6 11.197 1.608 7.245 37 HB2 ASP 6 HB3 ASP 6 12.733 3.763 6.608 38 HB3 ASP 6 HB2 ASP 6 12.129 3.334 5.010 39 H LEU 7 H LEU 7 13.550 0.695 4.825 40 HA LEU 7 HA LEU 7 11.581 0.052 2.792 41 HB2 LEU 7 HB3 LEU 7 13.384 -0.290 1.440 42 HB3 LEU 7 HB2 LEU 7 14.269 0.488 2.742 43 HG LEU 7 HG LEU 7 15.485 -1.479 2.172 44 HD11 LEU 7 HD11 LEU 7 15.855 -1.976 4.314 45 HD12 LEU 7 HD12 LEU 7 14.352 -2.886 4.412 46 HD13 LEU 7 HD13 LEU 7 14.361 -1.155 4.752 47 HD21 LEU 7 HD21 LEU 7 13.503 -3.543 2.745 48 HD22 LEU 7 HD22 LEU 7 14.563 -3.359 1.351 49 HD23 LEU 7 HD23 LEU 7 13.013 -2.523 1.390 50 H CYS 8 H CYS 8 11.075 -2.151 2.067 51 HA CYS 8 HA CYS 8 11.312 -4.182 4.253 52 HB2 CYS 8 HB3 CYS 8 9.056 -4.230 4.394 53 HB3 CYS 8 HB2 CYS 8 8.918 -3.026 3.119 54 HA PRO 9 HA PRO 9 13.066 -7.043 1.406 55 HB2 PRO 9 HB3 PRO 9 11.443 -9.279 1.775 56 HB3 PRO 9 HB2 PRO 9 12.758 -8.803 2.858 57 HG2 PRO 9 HG3 PRO 9 9.854 -8.227 3.083 58 HG3 PRO 9 HG2 PRO 9 10.956 -8.793 4.341 59 HD2 PRO 9 HD3 PRO 9 10.287 -6.226 4.269 60 HD3 PRO 9 HD2 PRO 9 11.993 -6.660 4.534 61 H HIS 10 H HIS 10 9.546 -7.558 1.348 62 HA HIS 10 HA HIS 10 9.517 -8.121 -1.509 63 HB2 HIS 10 HB3 HIS 10 7.015 -7.357 -0.016 64 HB3 HIS 10 HB2 HIS 10 7.259 -8.610 -1.231 65 HD2 HIS 10 HD2 HIS 10 8.143 -11.085 -0.239 66 HE1 HIS 10 HE1 HIS 10 8.151 -10.007 3.838 67 HE2 HIS 10 HE2 HIS 10 8.372 -11.933 2.212 68 H LEU 11 H LEU 11 9.914 -5.314 0.172 69 HA LEU 11 HA LEU 11 8.189 -3.498 -1.224 70 HB2 LEU 11 HB3 LEU 11 9.491 -3.092 0.934 71 HB3 LEU 11 HB2 LEU 11 10.906 -2.845 -0.080 72 HG LEU 11 HG LEU 11 8.493 -1.326 -0.901 73 HD11 LEU 11 HD11 LEU 11 9.820 -0.943 1.767 74 HD12 LEU 11 HD12 LEU 11 8.107 -0.880 1.362 75 HD13 LEU 11 HD13 LEU 11 9.173 0.445 0.894 76 HD21 LEU 11 HD21 LEU 11 10.184 0.438 -1.234 77 HD22 LEU 11 HD22 LEU 11 10.706 -1.072 -1.984 78 HD23 LEU 11 HD23 LEU 11 11.396 -0.569 -0.439 79 H ASP 12 H ASP 12 11.270 -4.955 -2.012 80 HA ASP 12 HA ASP 12 11.755 -3.119 -4.256 81 HB2 ASP 12 HB3 ASP 12 13.650 -4.097 -3.002 82 HB3 ASP 12 HB2 ASP 12 13.127 -5.711 -3.484 83 H SER 13 H SER 13 10.121 -6.111 -3.682 84 HA SER 13 HA SER 13 10.205 -7.015 -6.459 85 HB2 SER 13 HB3 SER 13 9.946 -8.539 -4.457 86 HB3 SER 13 HB2 SER 13 8.317 -7.901 -4.262 87 HG SER 13 HG SER 13 9.376 -9.587 -6.204 88 H ILE 14 H ILE 14 8.279 -4.798 -4.640 89 HA ILE 14 HA ILE 14 5.981 -4.990 -6.501 90 HB ILE 14 HB ILE 14 5.088 -3.119 -5.075 91 HG12 ILE 14 HG13 ILE 14 7.423 -3.688 -3.263 92 HG13 ILE 14 HG12 ILE 14 7.515 -2.409 -4.468 93 HG21 ILE 14 HG21 ILE 14 4.860 -5.666 -4.619 94 HG22 ILE 14 HG22 ILE 14 4.505 -4.565 -3.289 95 HG23 ILE 14 HG23 ILE 14 6.055 -5.402 -3.352 96 HD11 ILE 14 HD11 ILE 14 6.571 -1.990 -1.973 97 HD12 ILE 14 HD12 ILE 14 5.068 -2.439 -2.776 98 HD13 ILE 14 HD13 ILE 14 6.015 -1.075 -3.372 99 H GLY 15 H GLY 15 8.946 -3.271 -6.270 100 HA2 GLY 15 HA3 GLY 15 9.784 -1.411 -7.442 101 HA3 GLY 15 HA2 GLY 15 8.692 -1.932 -8.727 102 H GLU 16 H GLU 16 8.845 0.662 -8.768 103 HA GLU 16 HA GLU 16 6.814 1.832 -6.937 104 HB2 GLU 16 HB3 GLU 16 8.700 3.243 -7.060 105 HB3 GLU 16 HB2 GLU 16 8.887 2.999 -8.794 106 HG2 GLU 16 HG3 GLU 16 6.342 4.249 -7.803 107 HG3 GLU 16 HG2 GLU 16 7.799 5.242 -7.832 108 H VAL 17 H VAL 17 4.747 1.833 -7.629 109 HA VAL 17 HA VAL 17 4.104 1.420 -10.463 110 HB VAL 17 HB VAL 17 1.717 1.643 -9.580 111 HG11 VAL 17 HG11 VAL 17 1.838 -0.542 -8.364 112 HG12 VAL 17 HG12 VAL 17 3.595 -0.394 -8.347 113 HG13 VAL 17 HG13 VAL 17 2.738 -0.547 -9.880 114 HG21 VAL 17 HG21 VAL 17 1.338 1.839 -7.259 115 HG22 VAL 17 HG22 VAL 17 2.624 3.008 -7.558 116 HG23 VAL 17 HG23 VAL 17 3.009 1.435 -6.861 117 H THR 18 H THR 18 1.926 3.028 -10.937 118 HA THR 18 HA THR 18 3.143 5.572 -11.514 119 HB THR 18 HB THR 18 0.337 5.916 -11.574 120 HG1 THR 18 HG1 THR 18 -0.338 4.014 -12.562 121 HG21 THR 18 HG21 THR 18 1.799 6.725 -13.308 122 HG22 THR 18 HG22 THR 18 0.693 5.570 -14.049 123 HG23 THR 18 HG23 THR 18 2.350 5.092 -13.680 124 H LYS 19 H LYS 19 3.262 7.379 -10.265 125 HA LYS 19 HA LYS 19 2.628 7.303 -7.483 126 HB2 LYS 19 HB3 LYS 19 2.592 10.027 -8.507 127 HB3 LYS 19 HB2 LYS 19 3.797 9.250 -7.480 128 HG2 LYS 19 HG3 LYS 19 4.501 8.084 -9.763 129 HG3 LYS 19 HG2 LYS 19 3.724 9.500 -10.466 130 HD2 LYS 19 HD3 LYS 19 5.853 10.356 -10.198 131 HD3 LYS 19 HD2 LYS 19 5.205 10.749 -8.604 132 HE2 LYS 19 HE3 LYS 19 6.070 8.445 -7.860 133 HE3 LYS 19 HE2 LYS 19 6.971 8.415 -9.375 134 HZ1 LYS 19 HZ1 LYS 19 8.477 9.779 -8.529 135 HZ2 LYS 19 HZ2 LYS 19 7.711 9.645 -7.018 136 HZ3 LYS 19 HZ3 LYS 19 7.296 10.909 -8.073 137 H GLU 20 H GLU 20 1.041 9.039 -10.151 138 HA GLU 20 HA GLU 20 -1.220 9.987 -8.892 139 HB2 GLU 20 HB3 GLU 20 -0.975 10.505 -11.173 140 HB3 GLU 20 HB2 GLU 20 -0.842 8.803 -11.622 141 HG2 GLU 20 HG3 GLU 20 -3.230 8.509 -10.838 142 HG3 GLU 20 HG2 GLU 20 -3.314 10.258 -10.636 143 H ASP 21 H ASP 21 -0.417 6.688 -9.808 144 HA ASP 21 HA ASP 21 -2.949 5.474 -9.428 145 HB2 ASP 21 HB3 ASP 21 -0.624 4.427 -10.110 146 HB3 ASP 21 HB2 ASP 21 -0.460 4.130 -8.384 147 H LEU 22 H LEU 22 -0.474 6.452 -7.114 148 HA LEU 22 HA LEU 22 -1.934 5.478 -4.799 149 HB2 LEU 22 HB3 LEU 22 0.410 7.350 -5.156 150 HB3 LEU 22 HB2 LEU 22 -0.308 7.055 -3.572 151 HG LEU 22 HG LEU 22 0.144 4.675 -3.752 152 HD11 LEU 22 HD11 LEU 22 -0.172 4.180 -6.043 153 HD12 LEU 22 HD12 LEU 22 1.558 3.957 -5.797 154 HD13 LEU 22 HD13 LEU 22 0.961 5.429 -6.559 155 HD21 LEU 22 HD21 LEU 22 2.647 4.750 -3.917 156 HD22 LEU 22 HD22 LEU 22 1.982 6.026 -2.897 157 HD23 LEU 22 HD23 LEU 22 2.518 6.396 -4.536 158 H LEU 23 H LEU 23 -1.993 8.236 -6.806 159 HA LEU 23 HA LEU 23 -3.345 9.980 -4.891 160 HB2 LEU 23 HB3 LEU 23 -3.076 10.210 -7.909 161 HB3 LEU 23 HB2 LEU 23 -3.475 11.513 -6.813 162 HG LEU 23 HG LEU 23 -0.846 10.002 -6.984 163 HD11 LEU 23 HD11 LEU 23 -1.632 12.166 -8.413 164 HD12 LEU 23 HD12 LEU 23 0.030 11.943 -7.872 165 HD13 LEU 23 HD13 LEU 23 -1.060 12.989 -6.962 166 HD21 LEU 23 HD21 LEU 23 -1.111 10.272 -4.654 167 HD22 LEU 23 HD22 LEU 23 -1.962 11.809 -4.828 168 HD23 LEU 23 HD23 LEU 23 -0.225 11.723 -5.118 169 H LEU 24 H LEU 24 -4.402 8.314 -7.933 170 HA LEU 24 HA LEU 24 -7.165 8.893 -7.459 171 HB2 LEU 24 HB3 LEU 24 -7.700 7.136 -9.035 172 HB3 LEU 24 HB2 LEU 24 -6.333 8.064 -9.659 173 HG LEU 24 HG LEU 24 -5.000 6.128 -8.292 174 HD11 LEU 24 HD11 LEU 24 -7.395 4.698 -9.475 175 HD12 LEU 24 HD12 LEU 24 -7.261 5.047 -7.755 176 HD13 LEU 24 HD13 LEU 24 -6.082 3.996 -8.534 177 HD21 LEU 24 HD21 LEU 24 -6.097 6.083 -11.115 178 HD22 LEU 24 HD22 LEU 24 -4.886 4.937 -10.540 179 HD23 LEU 24 HD23 LEU 24 -4.519 6.661 -10.587 180 H LYS 25 H LYS 25 -5.093 6.121 -6.547 181 HA LYS 25 HA LYS 25 -7.031 4.506 -5.321 182 HB2 LYS 25 HB3 LYS 25 -4.165 5.132 -4.599 183 HB3 LYS 25 HB2 LYS 25 -5.123 4.045 -3.599 184 HG2 LYS 25 HG3 LYS 25 -5.426 2.496 -5.379 185 HG3 LYS 25 HG2 LYS 25 -4.899 3.664 -6.588 186 HD2 LYS 25 HD3 LYS 25 -2.623 3.533 -5.858 187 HD3 LYS 25 HD2 LYS 25 -3.071 2.661 -4.397 188 HE2 LYS 25 HE3 LYS 25 -3.898 0.784 -5.843 189 HE3 LYS 25 HE2 LYS 25 -3.266 1.646 -7.245 190 HZ1 LYS 25 HZ1 LYS 25 -1.074 1.509 -6.381 191 HZ2 LYS 25 HZ2 LYS 25 -1.739 -0.051 -6.299 192 HZ3 LYS 25 HZ3 LYS 25 -1.617 0.897 -4.895 193 H SER 26 H SER 26 -5.329 7.334 -4.034 194 HA SER 26 HA SER 26 -6.741 7.429 -1.520 195 HB2 SER 26 HB3 SER 26 -4.504 8.618 -2.341 196 HB3 SER 26 HB2 SER 26 -5.609 9.877 -2.852 197 HG SER 26 HG SER 26 -6.269 10.155 -0.780 198 H LYS 27 H LYS 27 -8.099 7.514 -4.424 199 HA LYS 27 HA LYS 27 -9.416 9.919 -4.825 200 HB2 LYS 27 HB3 LYS 27 -11.436 8.418 -5.560 201 HB3 LYS 27 HB2 LYS 27 -9.930 8.358 -6.465 202 HG2 LYS 27 HG3 LYS 27 -9.479 6.214 -5.840 203 HG3 LYS 27 HG2 LYS 27 -10.069 6.463 -4.191 204 HD2 LYS 27 HD3 LYS 27 -11.537 4.892 -5.329 205 HD3 LYS 27 HD2 LYS 27 -12.413 6.408 -5.104 206 HE2 LYS 27 HE3 LYS 27 -11.862 7.081 -7.407 207 HE3 LYS 27 HE2 LYS 27 -10.956 5.587 -7.635 208 HZ1 LYS 27 HZ1 LYS 27 -13.711 6.015 -7.939 209 HZ2 LYS 27 HZ2 LYS 27 -13.485 4.918 -6.662 210 HZ3 LYS 27 HZ3 LYS 27 -12.833 4.587 -8.194 211 H GLY 28 H GLY 28 -10.570 7.311 -2.591 212 HA2 GLY 28 HA3 GLY 28 -11.302 8.599 -0.422 213 HA3 GLY 28 HA2 GLY 28 -12.482 9.314 -1.505 214 H THR 29 H THR 29 -11.840 6.104 -2.412 215 HA THR 29 HA THR 29 -13.715 4.916 -0.511 216 HB THR 29 HB THR 29 -14.985 4.384 -2.951 217 HG1 THR 29 HG1 THR 29 -14.836 7.158 -2.685 218 HG21 THR 29 HG21 THR 29 -15.979 4.708 -0.653 219 HG22 THR 29 HG22 THR 29 -16.866 5.507 -1.949 220 HG23 THR 29 HG23 THR 29 -15.807 6.445 -0.898 221 H CYS 30 H CYS 30 -13.810 2.653 -0.669 222 HA CYS 30 HA CYS 30 -11.553 1.281 -1.815 223 HB2 CYS 30 HB3 CYS 30 -12.810 0.389 0.135 224 HB3 CYS 30 HB2 CYS 30 -14.229 0.174 -0.887 225 H GLN 31 H GLN 31 -11.425 0.189 -3.838 226 HA GLN 31 HA GLN 31 -13.434 1.008 -5.795 227 HB2 GLN 31 HB3 GLN 31 -12.056 -0.249 -7.416 228 HB3 GLN 31 HB2 GLN 31 -11.108 0.912 -6.497 229 HG2 GLN 31 HG3 GLN 31 -9.773 -1.021 -6.444 230 HG3 GLN 31 HG2 GLN 31 -10.619 -1.092 -4.904 231 HE21 GLN 31 HE21 GLN 31 -9.974 -3.532 -5.350 232 HE22 GLN 31 HE22 GLN 31 -11.137 -4.461 -6.166 233 H SER 32 H SER 32 -13.155 -1.599 -3.649 234 HA SER 32 HA SER 32 -15.001 -3.246 -5.341 235 HB2 SER 32 HB3 SER 32 -13.095 -4.051 -3.134 236 HB3 SER 32 HB2 SER 32 -14.300 -5.135 -3.823 237 HG SER 32 HG SER 32 -11.940 -4.809 -4.725 238 H CYS 33 H CYS 33 -14.753 -1.336 -2.504 239 HA CYS 33 HA CYS 33 -17.395 -2.407 -1.578 240 HB2 CYS 33 HB3 CYS 33 -15.215 -1.279 0.199 241 HB3 CYS 33 HB2 CYS 33 -16.741 -1.973 0.720 242 H GLY 34 H GLY 34 -15.449 0.396 -2.356 243 HA2 GLY 34 HA3 GLY 34 -16.022 2.680 -2.358 244 HA3 GLY 34 HA2 GLY 34 -17.672 2.123 -2.642 245 H VAL 35 H VAL 35 -15.312 2.326 0.020 246 HA VAL 35 HA VAL 35 -17.564 2.705 1.923 247 HB VAL 35 HB VAL 35 -15.971 2.065 3.655 248 HG11 VAL 35 HG11 VAL 35 -16.822 0.084 2.852 249 HG12 VAL 35 HG12 VAL 35 -15.144 -0.160 2.366 250 HG13 VAL 35 HG13 VAL 35 -16.329 0.413 1.195 251 HG21 VAL 35 HG21 VAL 35 -13.995 2.284 1.374 252 HG22 VAL 35 HG22 VAL 35 -13.644 1.352 2.828 253 HG23 VAL 35 HG23 VAL 35 -13.939 3.084 2.946 254 H THR 36 H THR 36 -14.336 4.178 1.218 255 HA THR 36 HA THR 36 -15.088 6.841 1.360 256 HB THR 36 HB THR 36 -14.110 6.983 3.967 257 HG1 THR 36 HG1 THR 36 -14.730 4.581 3.785 258 HG21 THR 36 HG21 THR 36 -16.710 7.251 4.459 259 HG22 THR 36 HG22 THR 36 -16.814 7.230 2.699 260 HG23 THR 36 HG23 THR 36 -15.835 8.451 3.510 261 H GLY 37 H GLY 37 -13.106 8.189 2.489 262 HA2 GLY 37 HA3 GLY 37 -10.700 7.082 1.189 263 HA3 GLY 37 HA2 GLY 37 -10.904 8.731 1.738 264 HA PRO 38 HA PRO 38 -8.860 8.286 5.546 265 HB2 PRO 38 HB3 PRO 38 -11.056 8.052 7.390 266 HB3 PRO 38 HB2 PRO 38 -10.020 9.452 7.082 267 HG2 PRO 38 HG3 PRO 38 -12.719 8.897 6.111 268 HG3 PRO 38 HG2 PRO 38 -11.832 10.428 6.152 269 HD2 PRO 38 HD3 PRO 38 -12.384 9.050 3.833 270 HD3 PRO 38 HD2 PRO 38 -11.003 10.152 4.014 271 H ASN 39 H ASN 39 -7.888 6.532 6.288 272 HA ASN 39 HA ASN 39 -7.568 4.390 7.183 273 HB2 ASN 39 HB3 ASN 39 -10.059 5.006 8.124 274 HB3 ASN 39 HB2 ASN 39 -10.421 3.598 7.123 275 HD21 ASN 39 HD21 ASN 39 -7.810 4.550 9.447 276 HD22 ASN 39 HD22 ASN 39 -7.789 3.056 10.252 277 H LEU 40 H LEU 40 -8.005 5.080 4.242 278 HA LEU 40 HA LEU 40 -9.134 2.596 3.165 279 HB2 LEU 40 HB3 LEU 40 -7.938 5.078 1.995 280 HB3 LEU 40 HB2 LEU 40 -7.894 3.624 1.013 281 HG LEU 40 HG LEU 40 -10.339 5.044 2.104 282 HD11 LEU 40 HD11 LEU 40 -9.583 4.239 -0.713 283 HD12 LEU 40 HD12 LEU 40 -9.201 5.815 -0.027 284 HD13 LEU 40 HD13 LEU 40 -10.882 5.324 -0.231 285 HD21 LEU 40 HD21 LEU 40 -11.422 3.096 0.610 286 HD22 LEU 40 HD22 LEU 40 -11.116 2.863 2.328 287 HD23 LEU 40 HD23 LEU 40 -9.982 2.227 1.134 288 H TRP 41 H TRP 41 -7.629 1.450 1.469 289 HA TRP 41 HA TRP 41 -4.798 1.395 2.130 290 HB2 TRP 41 HB3 TRP 41 -6.543 -0.253 3.668 291 HB3 TRP 41 HB2 TRP 41 -5.670 -1.315 2.568 292 HD1 TRP 41 HD TRP 41 -2.881 -0.149 2.407 293 HE1 TRP 41 HE1 TRP 41 -1.333 0.021 4.461 294 HE3 TRP 41 HE3 TRP 41 -6.350 -0.338 6.147 295 HZ2 TRP 41 HZ2 TRP 41 -1.540 0.072 7.315 296 HZ3 TRP 41 HZ3 TRP 41 -5.651 -0.226 8.521 297 HH2 TRP 41 HH2 TRP 41 -3.251 -0.022 9.109 298 H ALA 42 H ALA 42 -4.509 1.659 -0.094 299 HA ALA 42 HA ALA 42 -5.753 -0.276 -1.925 300 HB1 ALA 42 HB1 ALA 42 -3.902 2.071 -2.401 301 HB2 ALA 42 HB2 ALA 42 -5.652 2.062 -2.615 302 HB3 ALA 42 HB3 ALA 42 -4.630 1.096 -3.678 303 H CYS 43 H CYS 43 -4.653 -1.823 -3.082 304 HA CYS 43 HA CYS 43 -2.308 -2.988 -1.951 305 HB2 CYS 43 HB3 CYS 43 -4.136 -3.962 -3.580 306 HB3 CYS 43 HB2 CYS 43 -3.041 -3.391 -4.840 307 H LEU 44 H LEU 44 -0.116 -2.984 -2.804 308 HA LEU 44 HA LEU 44 0.450 -0.777 -4.736 309 HB2 LEU 44 HB3 LEU 44 0.797 -0.079 -2.331 310 HB3 LEU 44 HB2 LEU 44 2.073 -1.289 -2.240 311 HG LEU 44 HG LEU 44 2.893 -0.048 -4.475 312 HD11 LEU 44 HD11 LEU 44 0.827 1.483 -4.259 313 HD12 LEU 44 HD12 LEU 44 2.385 2.253 -4.556 314 HD13 LEU 44 HD13 LEU 44 1.701 2.250 -2.933 315 HD21 LEU 44 HD21 LEU 44 4.145 -0.306 -2.324 316 HD22 LEU 44 HD22 LEU 44 3.328 1.136 -1.719 317 HD23 LEU 44 HD23 LEU 44 4.419 1.254 -3.098 318 H GLN 45 H GLN 45 0.416 -3.477 -5.527 319 HA GLN 45 HA GLN 45 3.254 -4.329 -5.464 320 HB2 GLN 45 HB3 GLN 45 1.263 -5.817 -7.106 321 HB3 GLN 45 HB2 GLN 45 2.564 -6.425 -6.076 322 HG2 GLN 45 HG3 GLN 45 0.091 -5.090 -4.968 323 HG3 GLN 45 HG2 GLN 45 0.211 -6.824 -5.221 324 HE21 GLN 45 HE21 GLN 45 2.182 -7.896 -4.116 325 HE22 GLN 45 HE22 GLN 45 2.673 -7.268 -2.617 326 H VAL 46 H VAL 46 4.509 -4.504 -7.320 327 HA VAL 46 HA VAL 46 4.614 -2.492 -9.159 328 HB VAL 46 HB VAL 46 6.230 -4.453 -8.865 329 HG11 VAL 46 HG11 VAL 46 4.628 -5.685 -11.107 330 HG12 VAL 46 HG12 VAL 46 4.354 -6.128 -9.421 331 HG13 VAL 46 HG13 VAL 46 5.930 -6.410 -10.162 332 HG21 VAL 46 HG21 VAL 46 6.603 -2.692 -10.528 333 HG22 VAL 46 HG22 VAL 46 5.512 -3.498 -11.654 334 HG23 VAL 46 HG23 VAL 46 7.041 -4.256 -11.213 335 H ALA 47 H ALA 47 2.202 -5.032 -9.225 336 HA ALA 47 HA ALA 47 1.071 -3.735 -11.646 337 HB1 ALA 47 HB1 ALA 47 1.486 -6.729 -11.500 338 HB2 ALA 47 HB2 ALA 47 2.527 -5.630 -12.405 339 HB3 ALA 47 HB3 ALA 47 0.831 -5.812 -12.857 340 H CYS 48 H CYS 48 -0.012 -3.517 -9.081 341 HA CYS 48 HA CYS 48 -2.530 -5.076 -9.450 342 HB2 CYS 48 HB3 CYS 48 -1.010 -6.056 -7.630 343 HB3 CYS 48 HB2 CYS 48 -1.354 -4.587 -6.717 344 HA PRO 49 HA PRO 49 -3.422 -0.640 -8.631 345 HB2 PRO 49 HB3 PRO 49 -4.863 -0.113 -10.853 346 HB3 PRO 49 HB2 PRO 49 -3.089 -0.143 -10.878 347 HG2 PRO 49 HG3 PRO 49 -5.028 -2.164 -11.863 348 HG3 PRO 49 HG2 PRO 49 -3.439 -1.714 -12.502 349 HD2 PRO 49 HD3 PRO 49 -3.988 -3.958 -10.878 350 HD3 PRO 49 HD2 PRO 49 -2.376 -3.297 -11.231 351 H TYR 50 H TYR 50 -4.872 -1.018 -6.921 352 HA TYR 50 HA TYR 50 -7.698 -0.911 -7.510 353 HB2 TYR 50 HB3 TYR 50 -6.507 -3.494 -6.464 354 HB3 TYR 50 HB2 TYR 50 -8.194 -3.062 -6.193 355 HD1 TYR 50 HD1 TYR 50 -6.024 -4.782 -8.348 356 HD2 TYR 50 HD2 TYR 50 -9.451 -2.192 -8.408 357 HE1 TYR 50 HE1 TYR 50 -6.605 -5.602 -10.616 358 HE2 TYR 50 HE2 TYR 50 -10.031 -3.012 -10.675 359 HH TYR 50 HH TYR 50 -7.961 -4.580 -12.645 360 H VAL 51 H VAL 51 -8.621 0.168 -5.758 361 HA VAL 51 HA VAL 51 -6.899 0.416 -3.355 362 HB VAL 51 HB VAL 51 -7.376 2.554 -4.193 363 HG11 VAL 51 HG11 VAL 51 -10.263 1.659 -4.439 364 HG12 VAL 51 HG12 VAL 51 -9.136 1.909 -5.771 365 HG13 VAL 51 HG13 VAL 51 -9.669 3.281 -4.799 366 HG21 VAL 51 HG21 VAL 51 -9.660 2.465 -2.275 367 HG22 VAL 51 HG22 VAL 51 -8.282 3.564 -2.342 368 HG23 VAL 51 HG23 VAL 51 -8.084 1.944 -1.677 369 H GLY 52 H GLY 52 -7.370 -1.099 -1.891 370 HA2 GLY 52 HA3 GLY 52 -10.119 -2.074 -1.564 371 HA3 GLY 52 HA2 GLY 52 -8.698 -2.694 -0.737 372 H CYS 53 H CYS 53 -10.469 -2.522 1.041 373 HA CYS 53 HA CYS 53 -10.669 0.209 2.205 374 HB2 CYS 53 HB3 CYS 53 -11.925 -1.454 3.977 375 HB3 CYS 53 HB2 CYS 53 -12.759 -0.667 2.663 376 H GLY 54 H GLY 54 -10.558 0.192 4.586 377 HA2 GLY 54 HA3 GLY 54 -8.301 -1.474 5.620 378 HA3 GLY 54 HA2 GLY 54 -8.569 0.213 6.119 379 H GLU 55 H GLU 55 -8.766 -2.064 7.960 380 HA GLU 55 HA GLU 55 -11.046 -3.293 8.580 381 HB2 GLU 55 HB3 GLU 55 -10.864 -2.720 10.894 382 HB3 GLU 55 HB2 GLU 55 -9.227 -2.735 10.245 383 HG2 GLU 55 HG3 GLU 55 -9.543 -0.215 9.846 384 HG3 GLU 55 HG2 GLU 55 -10.947 -0.347 10.905 385 H SER 56 H SER 56 -10.801 0.191 8.460 386 HA SER 56 HA SER 56 -13.091 1.260 9.394 387 HB2 SER 56 HB3 SER 56 -11.520 1.688 6.966 388 HB3 SER 56 HB2 SER 56 -13.202 2.127 6.742 389 HG SER 56 HG SER 56 -13.060 3.599 8.328 390 H PHE 57 H PHE 57 -12.921 -0.830 6.520 391 HA PHE 57 HA PHE 57 -15.897 -1.189 6.723 392 HB2 PHE 57 HB3 PHE 57 -15.256 -0.146 4.614 393 HB3 PHE 57 HB2 PHE 57 -14.134 -1.443 4.285 394 HD1 PHE 57 HD1 PHE 57 -17.729 -0.956 5.233 395 HD2 PHE 57 HD2 PHE 57 -14.875 -3.231 2.970 396 HE1 PHE 57 HE1 PHE 57 -19.572 -2.301 4.262 397 HE2 PHE 57 HE2 PHE 57 -16.717 -4.576 1.999 398 HZ PHE 57 HZ PHE 57 -19.066 -4.111 2.644 399 H ALA 58 H ALA 58 -13.852 -3.075 4.686 400 HA ALA 58 HA ALA 58 -14.200 -5.438 6.507 401 HB1 ALA 58 HB1 ALA 58 -14.063 -5.519 3.479 402 HB2 ALA 58 HB2 ALA 58 -15.584 -5.470 4.373 403 HB3 ALA 58 HB3 ALA 58 -14.489 -6.838 4.569 404 H ASP 59 H ASP 59 -12.046 -3.306 5.270 405 HA ASP 59 HA ASP 59 -9.734 -3.304 4.984 406 HB2 ASP 59 HB3 ASP 59 -9.686 -4.030 7.277 407 HB3 ASP 59 HB2 ASP 59 -10.044 -5.686 6.827 408 H HIS 60 H HIS 60 -10.567 -4.109 2.655 409 HA HIS 60 HA HIS 60 -10.226 -6.769 1.794 410 HB2 HIS 60 HB3 HIS 60 -10.038 -4.121 0.530 411 HB3 HIS 60 HB2 HIS 60 -9.009 -5.310 -0.240 412 HD2 HIS 60 HD2 HIS 60 -10.643 -7.850 -0.737 413 HE1 HIS 60 HE1 HIS 60 -14.061 -5.531 -1.592 414 HE2 HIS 60 HE2 HIS 60 -13.022 -7.832 -1.794 415 H SER 61 H SER 61 -7.979 -4.408 2.900 416 HA SER 61 HA SER 61 -5.502 -5.169 1.931 417 HB2 SER 61 HB3 SER 61 -6.275 -3.509 3.864 418 HB3 SER 61 HB2 SER 61 -5.764 -4.833 4.898 419 HG SER 61 HG SER 61 -3.820 -4.127 4.548 420 H THR 62 H THR 62 -7.531 -6.972 4.189 421 HA THR 62 HA THR 62 -5.380 -8.914 4.689 422 HB THR 62 HB THR 62 -7.377 -10.085 5.888 423 HG1 THR 62 HG1 THR 62 -8.659 -7.985 6.559 424 HG21 THR 62 HG21 THR 62 -5.897 -7.603 6.700 425 HG22 THR 62 HG22 THR 62 -5.716 -9.252 7.298 426 HG23 THR 62 HG23 THR 62 -7.106 -8.283 7.788 427 H ILE 63 H ILE 63 -8.791 -9.307 3.636 428 HA ILE 63 HA ILE 63 -8.377 -11.879 2.594 429 HB ILE 63 HB ILE 63 -10.392 -11.394 1.127 430 HG12 ILE 63 HG13 ILE 63 -10.482 -8.844 2.744 431 HG13 ILE 63 HG12 ILE 63 -9.809 -8.916 1.116 432 HG21 ILE 63 HG21 ILE 63 -11.892 -11.095 3.189 433 HG22 ILE 63 HG22 ILE 63 -10.404 -10.973 4.127 434 HG23 ILE 63 HG23 ILE 63 -10.768 -12.453 3.238 435 HD11 ILE 63 HD11 ILE 63 -11.895 -9.592 0.172 436 HD12 ILE 63 HD12 ILE 63 -12.281 -8.269 1.273 437 HD13 ILE 63 HD13 ILE 63 -12.578 -9.937 1.761 438 H HIS 64 H HIS 64 -7.851 -8.743 1.167 439 HA HIS 64 HA HIS 64 -7.397 -9.697 -1.527 440 HB2 HIS 64 HB3 HIS 64 -7.940 -7.319 -1.066 441 HB3 HIS 64 HB2 HIS 64 -6.398 -7.146 -0.223 442 HD1 HIS 64 HD1 HIS 64 -7.873 -6.941 -3.551 443 HD2 HIS 64 HD2 HIS 64 -4.092 -7.760 -1.997 444 HE1 HIS 64 HE1 HIS 64 -6.241 -6.718 -5.478 445 H ALA 65 H ALA 65 -5.281 -8.967 1.254 446 HA ALA 65 HA ALA 65 -2.857 -9.679 -0.236 447 HB1 ALA 65 HB1 ALA 65 -2.621 -8.163 1.653 448 HB2 ALA 65 HB2 ALA 65 -1.822 -9.676 2.078 449 HB3 ALA 65 HB3 ALA 65 -3.419 -9.312 2.727 450 H GLN 66 H GLN 66 -5.361 -11.183 1.415 451 HA GLN 66 HA GLN 66 -4.045 -13.705 2.074 452 HB2 GLN 66 HB3 GLN 66 -5.827 -12.885 3.461 453 HB3 GLN 66 HB2 GLN 66 -6.839 -12.616 2.070 454 HG2 GLN 66 HG3 GLN 66 -7.795 -14.564 2.698 455 HG3 GLN 66 HG2 GLN 66 -6.461 -15.274 1.789 456 HE21 GLN 66 HE21 GLN 66 -5.878 -17.084 3.045 457 HE22 GLN 66 HE22 GLN 66 -5.490 -17.015 4.696 458 H ALA 67 H ALA 67 -6.161 -12.443 -0.477 459 HA ALA 67 HA ALA 67 -6.440 -15.094 -1.712 460 HB1 ALA 67 HB1 ALA 67 -7.578 -13.402 -3.501 461 HB2 ALA 67 HB2 ALA 67 -7.696 -12.428 -2.036 462 HB3 ALA 67 HB3 ALA 67 -8.429 -14.029 -2.089 463 H LYS 68 H LYS 68 -4.973 -11.953 -2.460 464 HA LYS 68 HA LYS 68 -3.623 -13.160 -4.821 465 HB2 LYS 68 HB3 LYS 68 -3.702 -10.277 -3.893 466 HB3 LYS 68 HB2 LYS 68 -3.100 -10.868 -5.438 467 HG2 LYS 68 HG3 LYS 68 -5.242 -10.345 -6.119 468 HG3 LYS 68 HG2 LYS 68 -5.552 -11.974 -5.517 469 HD2 LYS 68 HD3 LYS 68 -6.429 -11.171 -3.465 470 HD3 LYS 68 HD2 LYS 68 -5.788 -9.556 -3.731 471 HE2 LYS 68 HE3 LYS 68 -7.365 -9.090 -5.447 472 HE3 LYS 68 HE2 LYS 68 -7.819 -10.789 -5.591 473 HZ1 LYS 68 HZ1 LYS 68 -9.518 -9.971 -4.320 474 HZ2 LYS 68 HZ2 LYS 68 -8.537 -8.841 -3.514 475 HZ3 LYS 68 HZ3 LYS 68 -8.454 -10.488 -3.105 476 H LYS 69 H LYS 69 -3.034 -13.253 -1.740 477 HA LYS 69 HA LYS 69 -1.149 -13.264 -0.365 478 HB2 LYS 69 HB3 LYS 69 0.614 -13.815 -2.700 479 HB3 LYS 69 HB2 LYS 69 0.469 -14.679 -1.172 480 HG2 LYS 69 HG3 LYS 69 -1.352 -14.851 -3.583 481 HG3 LYS 69 HG2 LYS 69 -0.409 -16.140 -2.845 482 HD2 LYS 69 HD3 LYS 69 -1.986 -15.287 -0.728 483 HD3 LYS 69 HD2 LYS 69 -3.071 -15.115 -2.106 484 HE2 LYS 69 HE3 LYS 69 -2.376 -17.479 -2.775 485 HE3 LYS 69 HE2 LYS 69 -1.631 -17.607 -1.181 486 HZ1 LYS 69 HZ1 LYS 69 -3.791 -17.029 -0.205 487 HZ2 LYS 69 HZ2 LYS 69 -3.860 -18.465 -1.110 488 HZ3 LYS 69 HZ3 LYS 69 -4.487 -17.022 -1.752 489 H HIS 70 H HIS 70 -1.710 -10.692 -2.090 490 HA HIS 70 HA HIS 70 0.968 -9.517 -2.351 491 HB2 HIS 70 HB3 HIS 70 -1.791 -8.238 -2.354 492 HB3 HIS 70 HB2 HIS 70 -0.293 -7.391 -2.704 493 HD2 HIS 70 HD2 HIS 70 0.812 -10.194 -4.502 494 HE1 HIS 70 HE1 HIS 70 -2.209 -8.839 -7.119 495 HE2 HIS 70 HE2 HIS 70 -0.158 -10.314 -6.916 496 H ASN 71 H ASN 71 2.143 -8.933 -0.555 497 HA ASN 71 HA ASN 71 0.723 -8.631 2.017 498 HB2 ASN 71 HB3 ASN 71 3.253 -8.272 2.730 499 HB3 ASN 71 HB2 ASN 71 2.615 -9.877 2.383 500 HD21 ASN 71 HD21 ASN 71 3.804 -7.157 0.313 501 HD22 ASN 71 HD22 ASN 71 4.846 -8.129 -0.609 502 H LEU 72 H LEU 72 2.707 -6.629 -0.157 503 HA LEU 72 HA LEU 72 2.626 -4.375 1.686 504 HB2 LEU 72 HB3 LEU 72 3.558 -4.618 -1.173 505 HB3 LEU 72 HB2 LEU 72 3.718 -3.151 -0.204 506 HG LEU 72 HG LEU 72 4.708 -5.746 0.925 507 HD11 LEU 72 HD11 LEU 72 5.996 -4.129 -1.264 508 HD12 LEU 72 HD12 LEU 72 5.801 -5.877 -1.153 509 HD13 LEU 72 HD13 LEU 72 6.966 -5.052 -0.119 510 HD21 LEU 72 HD21 LEU 72 4.611 -3.412 2.097 511 HD22 LEU 72 HD22 LEU 72 5.990 -3.017 1.075 512 HD23 LEU 72 HD23 LEU 72 6.097 -4.350 2.225 513 H THR 73 H THR 73 1.312 -2.717 1.731 514 HA THR 73 HA THR 73 -0.398 -1.981 -0.547 515 HB THR 73 HB THR 73 -2.474 -2.275 0.527 516 HG1 THR 73 HG1 THR 73 -1.419 -2.936 3.011 517 HG21 THR 73 HG21 THR 73 -0.800 -4.543 1.640 518 HG22 THR 73 HG22 THR 73 -1.440 -4.474 -0.001 519 HG23 THR 73 HG23 THR 73 -2.542 -4.567 1.372 520 H VAL 74 H VAL 74 -1.304 0.260 -0.104 521 HA VAL 74 HA VAL 74 0.295 1.605 2.048 522 HB VAL 74 HB VAL 74 1.250 2.245 -0.036 523 HG11 VAL 74 HG11 VAL 74 -1.588 2.866 -0.934 524 HG12 VAL 74 HG12 VAL 74 -0.625 1.491 -1.470 525 HG13 VAL 74 HG13 VAL 74 -0.130 3.131 -1.889 526 HG21 VAL 74 HG21 VAL 74 0.635 4.077 1.658 527 HG22 VAL 74 HG22 VAL 74 -0.707 4.473 0.588 528 HG23 VAL 74 HG23 VAL 74 0.952 4.615 0.010 529 H ASN 75 H ASN 75 -0.810 2.706 3.509 530 HA ASN 75 HA ASN 75 -3.719 2.956 3.274 531 HB2 ASN 75 HB3 ASN 75 -2.393 2.398 5.415 532 HB3 ASN 75 HB2 ASN 75 -1.997 4.114 5.468 533 HD21 ASN 75 HD21 ASN 75 -3.614 2.885 7.501 534 HD22 ASN 75 HD22 ASN 75 -5.183 3.523 7.387 535 H LEU 76 H LEU 76 -4.309 4.552 1.847 536 HA LEU 76 HA LEU 76 -2.828 7.024 1.552 537 HB2 LEU 76 HB3 LEU 76 -5.706 6.554 0.761 538 HB3 LEU 76 HB2 LEU 76 -4.545 7.650 0.022 539 HG LEU 76 HG LEU 76 -3.466 4.962 0.041 540 HD11 LEU 76 HD11 LEU 76 -5.033 3.792 -1.319 541 HD12 LEU 76 HD12 LEU 76 -6.048 5.219 -1.499 542 HD13 LEU 76 HD13 LEU 76 -5.936 4.407 0.061 543 HD21 LEU 76 HD21 LEU 76 -2.916 5.435 -2.168 544 HD22 LEU 76 HD22 LEU 76 -3.030 7.052 -1.482 545 HD23 LEU 76 HD23 LEU 76 -4.363 6.400 -2.430 546 H THR 77 H THR 77 -4.110 6.073 4.210 547 HA THR 77 HA THR 77 -5.741 8.472 4.852 548 HB THR 77 HB THR 77 -5.077 6.051 6.554 549 HG1 THR 77 HG1 THR 77 -7.101 6.637 4.715 550 HG21 THR 77 HG21 THR 77 -7.018 8.350 6.862 551 HG22 THR 77 HG22 THR 77 -5.688 7.920 7.934 552 HG23 THR 77 HG23 THR 77 -7.103 6.876 7.825 553 H THR 78 H THR 78 -2.764 6.792 5.716 554 HA THR 78 HA THR 78 -1.889 9.245 7.192 555 HB THR 78 HB THR 78 -0.857 6.451 7.694 556 HG1 THR 78 HG1 THR 78 -3.227 6.974 8.084 557 HG21 THR 78 HG21 THR 78 0.596 8.208 8.500 558 HG22 THR 78 HG22 THR 78 -0.242 7.518 9.890 559 HG23 THR 78 HG23 THR 78 -0.764 9.065 9.225 560 H PHE 79 H PHE 79 -1.221 7.151 4.573 561 HA PHE 79 HA PHE 79 0.418 7.417 2.903 562 HB2 PHE 79 HB3 PHE 79 0.473 9.863 3.989 563 HB3 PHE 79 HB2 PHE 79 2.051 9.308 4.546 564 HD1 PHE 79 HD1 PHE 79 3.877 9.651 3.134 565 HD2 PHE 79 HD2 PHE 79 -0.046 9.246 1.428 566 HE1 PHE 79 HE1 PHE 79 4.815 10.067 0.877 567 HE2 PHE 79 HE2 PHE 79 0.894 9.661 -0.828 568 HZ PHE 79 HZ PHE 79 3.324 10.072 -1.104 569 H ARG 80 H ARG 80 0.572 5.288 4.556 570 HA ARG 80 HA ARG 80 3.509 4.878 4.754 571 HB2 ARG 80 HB3 ARG 80 2.553 3.335 6.843 572 HB3 ARG 80 HB2 ARG 80 3.402 4.866 7.025 573 HG2 ARG 80 HG3 ARG 80 1.403 6.073 7.340 574 HG3 ARG 80 HG2 ARG 80 0.414 4.814 6.594 575 HD2 ARG 80 HD3 ARG 80 0.917 3.308 8.488 576 HD3 ARG 80 HD2 ARG 80 1.873 4.577 9.244 577 HE ARG 80 HE ARG 80 -0.157 5.742 9.772 578 HH11 ARG 80 HH11 ARG 80 -2.373 5.643 10.186 579 HH12 ARG 80 HH12 ARG 80 -3.316 4.367 9.491 580 HH21 ARG 80 HH21 ARG 80 -0.630 2.897 7.869 581 HH22 ARG 80 HH22 ARG 80 -2.330 2.816 8.184 582 H LEU 81 H LEU 81 3.708 2.294 5.235 583 HA LEU 81 HA LEU 81 1.787 1.034 3.326 584 HB2 LEU 81 HB3 LEU 81 4.701 0.988 3.498 585 HB3 LEU 81 HB2 LEU 81 4.003 -0.617 3.365 586 HG LEU 81 HG LEU 81 2.688 0.196 1.428 587 HD11 LEU 81 HD11 LEU 81 2.599 2.562 1.826 588 HD12 LEU 81 HD12 LEU 81 3.555 2.339 0.361 589 HD13 LEU 81 HD13 LEU 81 4.358 2.671 1.896 590 HD21 LEU 81 HD21 LEU 81 5.005 -0.910 1.305 591 HD22 LEU 81 HD22 LEU 81 5.624 0.708 0.977 592 HD23 LEU 81 HD23 LEU 81 4.466 -0.033 -0.123 593 H TRP 82 H TRP 82 1.998 -1.479 3.607 594 HA TRP 82 HA TRP 82 2.194 -2.360 6.393 595 HB2 TRP 82 HB3 TRP 82 -0.082 -1.458 6.374 596 HB3 TRP 82 HB2 TRP 82 -0.453 -2.361 4.909 597 HD1 TRP 82 HD TRP 82 1.641 -4.369 7.231 598 HE1 TRP 82 HE1 TRP 82 0.200 -6.108 8.460 599 HE3 TRP 82 HE3 TRP 82 -3.019 -2.654 6.040 600 HZ2 TRP 82 HZ2 TRP 82 -2.562 -6.700 8.888 601 HZ3 TRP 82 HZ3 TRP 82 -5.035 -3.824 6.875 602 HH2 TRP 82 HH2 TRP 82 -4.815 -5.843 8.296 603 H CYS 83 H CYS 83 3.435 -4.132 5.998 604 HA CYS 83 HA CYS 83 2.993 -5.698 3.532 605 HB2 CYS 83 HB3 CYS 83 5.281 -4.962 4.757 606 HB3 CYS 83 HB2 CYS 83 5.021 -6.517 5.539 607 H TYR 84 H TYR 84 1.318 -7.189 3.768 608 HA TYR 84 HA TYR 84 0.691 -8.366 6.345 609 HB2 TYR 84 HB3 TYR 84 -0.732 -8.200 4.059 610 HB3 TYR 84 HB2 TYR 84 -0.034 -9.801 3.809 611 HD1 TYR 84 HD1 TYR 84 -1.004 -11.677 4.834 612 HD2 TYR 84 HD2 TYR 84 -1.838 -7.754 6.376 613 HE1 TYR 84 HE1 TYR 84 -2.665 -12.645 6.400 614 HE2 TYR 84 HE2 TYR 84 -3.499 -8.723 7.942 615 HH TYR 84 HH TYR 84 -4.696 -10.579 8.433 616 H ALA 85 H ALA 85 3.341 -8.597 4.520 617 HA ALA 85 HA ALA 85 3.814 -11.485 5.008 618 HB1 ALA 85 HB1 ALA 85 5.190 -9.426 3.279 619 HB2 ALA 85 HB2 ALA 85 4.502 -10.977 2.799 620 HB3 ALA 85 HB3 ALA 85 5.998 -10.927 3.723 621 H CYS 86 H CYS 86 5.851 -8.516 5.161 622 HA CYS 86 HA CYS 86 7.372 -9.486 7.403 623 HB2 CYS 86 HB3 CYS 86 6.891 -6.599 6.567 624 HB3 CYS 86 HB2 CYS 86 8.223 -7.198 7.549 625 H GLU 87 H GLU 87 4.258 -8.466 6.919 626 HA GLU 87 HA GLU 87 2.511 -7.743 8.290 627 HB2 GLU 87 HB3 GLU 87 3.852 -10.011 9.375 628 HB3 GLU 87 HB2 GLU 87 3.334 -8.999 10.713 629 HG2 GLU 87 HG3 GLU 87 1.490 -9.751 8.442 630 HG3 GLU 87 HG2 GLU 87 1.631 -10.714 9.910 631 H LYS 88 H LYS 88 3.902 -5.626 8.068 632 HA LYS 88 HA LYS 88 3.849 -4.377 10.715 633 HB2 LYS 88 HB3 LYS 88 6.224 -3.468 10.386 634 HB3 LYS 88 HB2 LYS 88 6.099 -5.157 10.880 635 HG2 LYS 88 HG3 LYS 88 6.496 -5.936 8.662 636 HG3 LYS 88 HG2 LYS 88 6.276 -4.328 7.980 637 HD2 LYS 88 HD3 LYS 88 8.635 -4.679 8.028 638 HD3 LYS 88 HD2 LYS 88 8.291 -3.609 9.385 639 HE2 LYS 88 HE3 LYS 88 8.019 -6.292 10.333 640 HE3 LYS 88 HE2 LYS 88 9.534 -6.196 9.438 641 HZ1 LYS 88 HZ1 LYS 88 9.342 -3.875 10.939 642 HZ2 LYS 88 HZ2 LYS 88 10.406 -5.177 11.177 643 HZ3 LYS 88 HZ3 LYS 88 8.909 -5.142 11.979 644 H GLU 89 H GLU 89 4.735 -1.960 10.315 645 HA GLU 89 HA GLU 89 3.416 -1.037 7.797 646 HB2 GLU 89 HB3 GLU 89 3.102 -0.259 10.495 647 HB3 GLU 89 HB2 GLU 89 3.970 1.067 9.725 648 HG2 GLU 89 HG3 GLU 89 2.249 1.470 8.184 649 HG3 GLU 89 HG2 GLU 89 1.556 -0.137 8.385 650 H VAL 90 H VAL 90 4.591 0.249 6.331 651 HA VAL 90 HA VAL 90 7.266 1.199 7.244 652 HB VAL 90 HB VAL 90 7.896 0.205 4.738 653 HG11 VAL 90 HG11 VAL 90 9.232 0.038 6.827 654 HG12 VAL 90 HG12 VAL 90 9.158 -1.499 5.965 655 HG13 VAL 90 HG13 VAL 90 8.157 -1.240 7.393 656 HG21 VAL 90 HG21 VAL 90 6.336 -1.984 6.117 657 HG22 VAL 90 HG22 VAL 90 6.982 -1.964 4.477 658 HG23 VAL 90 HG23 VAL 90 5.593 -0.963 4.889 659 H PHE 91 H PHE 91 8.035 2.960 6.091 660 HA PHE 91 HA PHE 91 6.051 4.312 4.322 661 HB2 PHE 91 HB3 PHE 91 8.490 5.405 5.759 662 HB3 PHE 91 HB2 PHE 91 7.378 6.350 4.775 663 HD1 PHE 91 HD1 PHE 91 5.566 7.408 5.816 664 HD2 PHE 91 HD2 PHE 91 7.359 3.986 7.694 665 HE1 PHE 91 HE1 PHE 91 4.088 7.713 7.784 666 HE2 PHE 91 HE2 PHE 91 5.879 4.290 9.660 667 HZ PHE 91 HZ PHE 91 4.243 6.153 9.705 668 H LEU 92 H LEU 92 7.146 5.674 2.554 669 HA LEU 92 HA LEU 92 8.572 4.094 0.747 670 HB2 LEU 92 HB3 LEU 92 8.843 7.099 1.116 671 HB3 LEU 92 HB2 LEU 92 9.248 6.197 -0.344 672 HG LEU 92 HG LEU 92 6.478 5.992 0.822 673 HD11 LEU 92 HD11 LEU 92 6.973 8.412 0.598 674 HD12 LEU 92 HD12 LEU 92 5.770 7.880 -0.576 675 HD13 LEU 92 HD13 LEU 92 7.437 8.148 -1.083 676 HD21 LEU 92 HD21 LEU 92 7.661 5.783 -1.967 677 HD22 LEU 92 HD22 LEU 92 5.940 5.651 -1.603 678 HD23 LEU 92 HD23 LEU 92 7.069 4.451 -0.974 679 H GLU 93 H GLU 93 10.785 3.785 0.399 680 HA GLU 93 HA GLU 93 12.491 3.457 2.573 681 HB2 GLU 93 HB3 GLU 93 14.362 3.562 0.842 682 HB3 GLU 93 HB2 GLU 93 13.064 2.415 0.505 683 HG2 GLU 93 HG3 GLU 93 11.959 4.264 -0.866 684 HG3 GLU 93 HG2 GLU 93 13.479 5.148 -0.719 685 H GLN 94 H GLN 94 11.334 6.399 1.668 686 HA GLN 94 HA GLN 94 11.976 8.591 2.181 687 HB2 GLN 94 HB3 GLN 94 14.198 7.411 3.847 688 HB3 GLN 94 HB2 GLN 94 13.310 8.911 4.109 689 HG2 GLN 94 HG3 GLN 94 11.219 7.460 4.376 690 HG3 GLN 94 HG2 GLN 94 12.315 6.082 4.473 691 HE21 GLN 94 HE21 GLN 94 14.092 8.556 5.739 692 HE22 GLN 94 HE22 GLN 94 13.681 8.405 7.379 693 H ARG 95 H ARG 95 14.301 6.354 0.909 694 HA ARG 95 HA ARG 95 16.570 7.917 0.495 695 HB2 ARG 95 HB3 ARG 95 17.180 6.351 -1.088 696 HB3 ARG 95 HB2 ARG 95 15.847 5.477 -0.345 697 HG2 ARG 95 HG3 ARG 95 15.334 5.290 -2.615 698 HG3 ARG 95 HG2 ARG 95 14.374 6.687 -2.145 699 HD2 ARG 95 HD3 ARG 95 15.411 7.776 -3.847 700 HD3 ARG 95 HD2 ARG 95 16.841 7.803 -2.817 701 HE ARG 95 HE ARG 95 16.999 5.334 -4.026 702 HH11 ARG 95 HH11 ARG 95 18.022 4.993 -6.012 703 HH12 ARG 95 HH12 ARG 95 18.147 6.300 -7.143 704 HH21 ARG 95 HH21 ARG 95 16.509 8.574 -5.100 705 HH22 ARG 95 HH22 ARG 95 17.290 8.327 -6.626 706 H LEU 96 H LEU 96 13.443 8.151 -1.055 707 HA LEU 96 HA LEU 96 14.450 10.310 -2.843 708 HB2 LEU 96 HB3 LEU 96 12.168 10.156 -3.871 709 HB3 LEU 96 HB2 LEU 96 13.086 8.657 -3.963 710 HG LEU 96 HG LEU 96 11.803 8.297 -1.573 711 HD11 LEU 96 HD11 LEU 96 9.441 8.981 -1.918 712 HD12 LEU 96 HD12 LEU 96 9.921 9.864 -3.366 713 HD13 LEU 96 HD13 LEU 96 10.511 10.375 -1.785 714 HD21 LEU 96 HD21 LEU 96 10.148 6.940 -2.921 715 HD22 LEU 96 HD22 LEU 96 11.838 6.634 -3.324 716 HD23 LEU 96 HD23 LEU 96 10.850 7.647 -4.377 717 H ALA 97 H ALA 97 12.694 12.148 -3.079 718 HA ALA 97 HA ALA 97 11.336 12.810 -0.553 719 HB1 ALA 97 HB1 ALA 97 13.598 13.581 -0.060 720 HB2 ALA 97 HB2 ALA 97 12.559 14.981 -0.329 721 HB3 ALA 97 HB3 ALA 97 13.667 14.451 -1.593 722 H ALA 98 H ALA 98 9.395 13.122 -1.628 723 HA ALA 98 HA ALA 98 9.181 15.544 -3.276 724 HB1 ALA 98 HB1 ALA 98 8.211 12.929 -4.449 725 HB2 ALA 98 HB2 ALA 98 9.787 13.615 -4.846 726 HB3 ALA 98 HB3 ALA 98 8.314 14.500 -5.241 727 HA PRO 99 HA PRO 99 5.511 14.206 -0.628 728 HB2 PRO 99 HB3 PRO 99 5.618 16.258 1.179 729 HB3 PRO 99 HB2 PRO 99 6.494 14.729 1.396 730 HG2 PRO 99 HG3 PRO 99 7.499 17.366 0.440 731 HG3 PRO 99 HG2 PRO 99 8.272 16.183 1.511 732 HD2 PRO 99 HD3 PRO 99 8.908 16.437 -1.149 733 HD3 PRO 99 HD2 PRO 99 9.070 14.912 -0.250 Start of MODEL 4 1 H1 MET 1 H1 MET 1 17.134 1.210 -4.167 2 HA MET 1 HA MET 1 17.046 -1.598 -4.991 3 HB2 MET 1 HB3 MET 1 19.305 -0.284 -3.454 4 HB3 MET 1 HB2 MET 1 19.010 -2.022 -3.473 5 HG2 MET 1 HG3 MET 1 19.298 -0.479 -6.048 6 HG3 MET 1 HG2 MET 1 20.717 -1.063 -5.177 7 HE1 MET 1 HE1 MET 1 19.602 -1.981 -8.264 8 HE2 MET 1 HE2 MET 1 20.432 -3.527 -8.116 9 HE3 MET 1 HE3 MET 1 21.175 -2.073 -7.459 10 H GLY 2 H GLY 2 18.294 -0.829 -1.913 11 HA2 GLY 2 HA3 GLY 2 15.663 -0.434 -0.649 12 HA3 GLY 2 HA2 GLY 2 16.440 -1.980 -0.303 13 H ASP 3 H ASP 3 15.881 0.354 1.503 14 HA ASP 3 HA ASP 3 18.554 1.414 2.130 15 HB2 ASP 3 HB3 ASP 3 16.344 2.695 2.403 16 HB3 ASP 3 HB2 ASP 3 16.065 1.689 3.825 17 H SER 4 H SER 4 17.190 1.047 5.070 18 HA SER 4 HA SER 4 17.848 -1.755 5.577 19 HB2 SER 4 HB3 SER 4 19.734 -1.315 7.077 20 HB3 SER 4 HB2 SER 4 20.101 -0.712 5.464 21 HG SER 4 HG SER 4 20.160 1.238 6.239 22 H ARG 5 H ARG 5 15.524 -0.147 6.018 23 HA ARG 5 HA ARG 5 14.977 -0.787 8.761 24 HB2 ARG 5 HB3 ARG 5 14.561 1.737 9.369 25 HB3 ARG 5 HB2 ARG 5 16.186 1.068 9.519 26 HG2 ARG 5 HG3 ARG 5 16.912 2.070 7.502 27 HG3 ARG 5 HG2 ARG 5 15.261 2.379 6.961 28 HD2 ARG 5 HD3 ARG 5 14.961 4.143 8.510 29 HD3 ARG 5 HD2 ARG 5 16.349 3.643 9.477 30 HE ARG 5 HE ARG 5 17.706 4.916 8.037 31 HH11 ARG 5 HH11 ARG 5 18.107 6.128 6.174 32 HH12 ARG 5 HH12 ARG 5 16.929 6.157 4.904 33 HH21 ARG 5 HH21 ARG 5 14.711 4.066 6.556 34 HH22 ARG 5 HH22 ARG 5 15.006 4.990 5.121 35 H ASP 6 H ASP 6 13.643 2.219 7.726 36 HA ASP 6 HA ASP 6 10.973 1.475 7.746 37 HB2 ASP 6 HB3 ASP 6 12.402 3.750 6.993 38 HB3 ASP 6 HB2 ASP 6 11.532 3.311 5.525 39 H LEU 7 H LEU 7 13.330 0.910 5.201 40 HA LEU 7 HA LEU 7 11.462 0.170 3.158 41 HB2 LEU 7 HB3 LEU 7 13.319 -0.252 1.883 42 HB3 LEU 7 HB2 LEU 7 14.120 0.624 3.175 43 HG LEU 7 HG LEU 7 15.432 -1.312 2.820 44 HD11 LEU 7 HD11 LEU 7 15.639 -1.735 5.001 45 HD12 LEU 7 HD12 LEU 7 14.170 -2.704 4.998 46 HD13 LEU 7 HD13 LEU 7 14.084 -0.968 5.289 47 HD21 LEU 7 HD21 LEU 7 13.101 -2.471 1.838 48 HD22 LEU 7 HD22 LEU 7 13.452 -3.421 3.282 49 HD23 LEU 7 HD23 LEU 7 14.661 -3.269 2.011 50 H CYS 8 H CYS 8 11.114 -2.067 2.350 51 HA CYS 8 HA CYS 8 11.247 -4.121 4.517 52 HB2 CYS 8 HB3 CYS 8 8.987 -4.167 4.618 53 HB3 CYS 8 HB2 CYS 8 8.873 -2.955 3.342 54 HA PRO 9 HA PRO 9 13.062 -6.888 1.615 55 HB2 PRO 9 HB3 PRO 9 11.456 -9.147 1.908 56 HB3 PRO 9 HB2 PRO 9 12.751 -8.686 3.018 57 HG2 PRO 9 HG3 PRO 9 9.840 -8.147 3.224 58 HG3 PRO 9 HG2 PRO 9 10.934 -8.732 4.480 59 HD2 PRO 9 HD3 PRO 9 10.236 -6.172 4.461 60 HD3 PRO 9 HD2 PRO 9 11.942 -6.595 4.744 61 H HIS 10 H HIS 10 9.538 -7.340 1.516 62 HA HIS 10 HA HIS 10 9.525 -7.901 -1.341 63 HB2 HIS 10 HB3 HIS 10 7.041 -7.117 0.183 64 HB3 HIS 10 HB2 HIS 10 7.235 -8.308 -1.101 65 HD2 HIS 10 HD2 HIS 10 8.095 -10.857 -0.259 66 HE1 HIS 10 HE1 HIS 10 8.177 -9.996 3.870 67 HE2 HIS 10 HE2 HIS 10 8.347 -11.838 2.140 68 H LEU 11 H LEU 11 10.047 -5.108 0.264 69 HA LEU 11 HA LEU 11 8.332 -3.242 -1.088 70 HB2 LEU 11 HB3 LEU 11 9.711 -2.816 0.993 71 HB3 LEU 11 HB2 LEU 11 11.124 -2.728 -0.050 72 HG LEU 11 HG LEU 11 8.664 -1.021 -0.497 73 HD11 LEU 11 HD11 LEU 11 9.666 0.744 0.756 74 HD12 LEU 11 HD12 LEU 11 11.188 -0.133 0.906 75 HD13 LEU 11 HD13 LEU 11 9.763 -0.685 1.785 76 HD21 LEU 11 HD21 LEU 11 11.361 -1.273 -1.724 77 HD22 LEU 11 HD22 LEU 11 10.816 0.378 -1.434 78 HD23 LEU 11 HD23 LEU 11 9.849 -0.704 -2.430 79 H ASP 12 H ASP 12 11.582 -4.492 -1.808 80 HA ASP 12 HA ASP 12 11.874 -2.876 -4.206 81 HB2 ASP 12 HB3 ASP 12 13.853 -3.670 -3.034 82 HB3 ASP 12 HB2 ASP 12 13.334 -5.345 -3.234 83 H SER 13 H SER 13 10.313 -5.867 -3.453 84 HA SER 13 HA SER 13 10.398 -6.931 -6.172 85 HB2 SER 13 HB3 SER 13 10.131 -8.291 -4.022 86 HB3 SER 13 HB2 SER 13 8.465 -7.722 -3.987 87 HG SER 13 HG SER 13 8.028 -8.847 -5.774 88 H ILE 14 H ILE 14 8.359 -4.713 -4.428 89 HA ILE 14 HA ILE 14 6.131 -5.015 -6.359 90 HB ILE 14 HB ILE 14 5.116 -3.182 -4.985 91 HG12 ILE 14 HG13 ILE 14 7.377 -3.600 -3.055 92 HG13 ILE 14 HG12 ILE 14 7.511 -2.372 -4.310 93 HG21 ILE 14 HG21 ILE 14 4.574 -4.628 -3.171 94 HG22 ILE 14 HG22 ILE 14 6.151 -5.414 -3.232 95 HG23 ILE 14 HG23 ILE 14 4.970 -5.714 -4.502 96 HD11 ILE 14 HD11 ILE 14 6.520 -1.679 -2.001 97 HD12 ILE 14 HD12 ILE 14 5.060 -2.493 -2.565 98 HD13 ILE 14 HD13 ILE 14 5.714 -1.126 -3.469 99 H GLY 15 H GLY 15 9.052 -3.291 -6.196 100 HA2 GLY 15 HA3 GLY 15 9.883 -1.462 -7.418 101 HA3 GLY 15 HA2 GLY 15 8.675 -1.905 -8.625 102 H GLU 16 H GLU 16 8.656 0.554 -8.857 103 HA GLU 16 HA GLU 16 6.866 1.802 -6.803 104 HB2 GLU 16 HB3 GLU 16 8.932 3.030 -6.944 105 HB3 GLU 16 HB2 GLU 16 8.886 3.021 -8.705 106 HG2 GLU 16 HG3 GLU 16 8.154 5.191 -7.491 107 HG3 GLU 16 HG2 GLU 16 7.118 4.597 -8.787 108 H VAL 17 H VAL 17 4.835 1.327 -7.640 109 HA VAL 17 HA VAL 17 4.177 1.331 -10.428 110 HB VAL 17 HB VAL 17 1.823 1.438 -9.648 111 HG11 VAL 17 HG11 VAL 17 1.841 -0.646 -8.448 112 HG12 VAL 17 HG12 VAL 17 3.467 -0.349 -7.837 113 HG13 VAL 17 HG13 VAL 17 3.216 -0.684 -9.551 114 HG21 VAL 17 HG21 VAL 17 3.162 1.984 -6.981 115 HG22 VAL 17 HG22 VAL 17 1.472 1.508 -7.145 116 HG23 VAL 17 HG23 VAL 17 2.029 3.030 -7.837 117 H THR 18 H THR 18 2.074 3.034 -10.856 118 HA THR 18 HA THR 18 3.397 5.558 -11.292 119 HB THR 18 HB THR 18 0.616 6.005 -11.438 120 HG1 THR 18 HG1 THR 18 -0.239 4.187 -12.153 121 HG21 THR 18 HG21 THR 18 2.530 5.060 -13.591 122 HG22 THR 18 HG22 THR 18 2.339 6.731 -13.059 123 HG23 THR 18 HG23 THR 18 1.004 5.903 -13.860 124 H LYS 19 H LYS 19 3.562 7.278 -9.960 125 HA LYS 19 HA LYS 19 2.843 7.176 -7.213 126 HB2 LYS 19 HB3 LYS 19 2.994 9.807 -7.518 127 HB3 LYS 19 HB2 LYS 19 4.443 8.815 -7.654 128 HG2 LYS 19 HG3 LYS 19 3.188 8.858 -10.234 129 HG3 LYS 19 HG2 LYS 19 3.255 10.509 -9.650 130 HD2 LYS 19 HD3 LYS 19 5.321 10.110 -10.809 131 HD3 LYS 19 HD2 LYS 19 5.707 10.094 -9.088 132 HE2 LYS 19 HE3 LYS 19 6.776 8.135 -9.727 133 HE3 LYS 19 HE2 LYS 19 5.179 7.483 -9.375 134 HZ1 LYS 19 HZ1 LYS 19 4.648 7.332 -11.591 135 HZ2 LYS 19 HZ2 LYS 19 6.306 6.959 -11.623 136 HZ3 LYS 19 HZ3 LYS 19 5.772 8.511 -12.066 137 H GLU 20 H GLU 20 1.358 9.104 -9.817 138 HA GLU 20 HA GLU 20 -0.902 10.049 -8.587 139 HB2 GLU 20 HB3 GLU 20 -0.588 10.631 -10.840 140 HB3 GLU 20 HB2 GLU 20 -0.505 8.940 -11.345 141 HG2 GLU 20 HG3 GLU 20 -2.924 8.716 -10.624 142 HG3 GLU 20 HG2 GLU 20 -2.945 10.459 -10.373 143 H ASP 21 H ASP 21 -0.301 6.776 -9.762 144 HA ASP 21 HA ASP 21 -2.853 5.642 -9.394 145 HB2 ASP 21 HB3 ASP 21 -0.587 4.531 -10.146 146 HB3 ASP 21 HB2 ASP 21 -0.413 4.154 -8.434 147 H LEU 22 H LEU 22 -0.319 6.320 -7.021 148 HA LEU 22 HA LEU 22 -1.847 5.308 -4.776 149 HB2 LEU 22 HB3 LEU 22 0.303 7.391 -4.496 150 HB3 LEU 22 HB2 LEU 22 -0.070 6.036 -3.431 151 HG LEU 22 HG LEU 22 1.192 5.874 -6.183 152 HD11 LEU 22 HD11 LEU 22 2.302 4.961 -3.524 153 HD12 LEU 22 HD12 LEU 22 2.584 6.586 -4.151 154 HD13 LEU 22 HD13 LEU 22 3.166 5.182 -5.046 155 HD21 LEU 22 HD21 LEU 22 0.291 3.714 -4.254 156 HD22 LEU 22 HD22 LEU 22 1.363 3.421 -5.623 157 HD23 LEU 22 HD23 LEU 22 -0.287 3.973 -5.900 158 H LEU 23 H LEU 23 -1.774 8.175 -6.621 159 HA LEU 23 HA LEU 23 -3.046 9.868 -4.603 160 HB2 LEU 23 HB3 LEU 23 -2.727 10.264 -7.599 161 HB3 LEU 23 HB2 LEU 23 -3.103 11.516 -6.441 162 HG LEU 23 HG LEU 23 -0.528 9.920 -6.637 163 HD11 LEU 23 HD11 LEU 23 -1.230 12.204 -7.956 164 HD12 LEU 23 HD12 LEU 23 0.423 11.848 -7.458 165 HD13 LEU 23 HD13 LEU 23 -0.587 12.901 -6.470 166 HD21 LEU 23 HD21 LEU 23 -0.817 10.092 -4.307 167 HD22 LEU 23 HD22 LEU 23 -1.626 11.656 -4.419 168 HD23 LEU 23 HD23 LEU 23 0.113 11.541 -4.685 169 H LEU 24 H LEU 24 -4.173 8.416 -7.733 170 HA LEU 24 HA LEU 24 -6.904 9.130 -7.235 171 HB2 LEU 24 HB3 LEU 24 -7.530 7.451 -8.883 172 HB3 LEU 24 HB2 LEU 24 -6.149 8.377 -9.475 173 HG LEU 24 HG LEU 24 -4.852 6.338 -8.223 174 HD11 LEU 24 HD11 LEU 24 -5.988 4.252 -8.568 175 HD12 LEU 24 HD12 LEU 24 -7.285 5.033 -9.470 176 HD13 LEU 24 HD13 LEU 24 -7.142 5.291 -7.734 177 HD21 LEU 24 HD21 LEU 24 -4.800 5.266 -10.543 178 HD22 LEU 24 HD22 LEU 24 -4.357 6.971 -10.485 179 HD23 LEU 24 HD23 LEU 24 -5.961 6.498 -11.036 180 H LYS 25 H LYS 25 -4.985 6.218 -6.437 181 HA LYS 25 HA LYS 25 -7.013 4.644 -5.305 182 HB2 LYS 25 HB3 LYS 25 -4.136 5.102 -4.485 183 HB3 LYS 25 HB2 LYS 25 -5.170 3.979 -3.606 184 HG2 LYS 25 HG3 LYS 25 -5.477 2.593 -5.516 185 HG3 LYS 25 HG2 LYS 25 -4.863 3.830 -6.606 186 HD2 LYS 25 HD3 LYS 25 -2.628 3.502 -5.909 187 HD3 LYS 25 HD2 LYS 25 -3.116 2.660 -4.441 188 HE2 LYS 25 HE3 LYS 25 -2.268 1.366 -6.663 189 HE3 LYS 25 HE2 LYS 25 -3.423 0.661 -5.534 190 HZ1 LYS 25 HZ1 LYS 25 -3.874 0.977 -8.153 191 HZ2 LYS 25 HZ2 LYS 25 -4.581 2.392 -7.538 192 HZ3 LYS 25 HZ3 LYS 25 -5.097 0.874 -6.983 193 H SER 26 H SER 26 -5.239 7.373 -3.911 194 HA SER 26 HA SER 26 -6.646 7.413 -1.390 195 HB2 SER 26 HB3 SER 26 -4.391 8.575 -2.118 196 HB3 SER 26 HB2 SER 26 -5.441 9.852 -2.694 197 HG SER 26 HG SER 26 -4.606 9.538 -0.271 198 H LYS 27 H LYS 27 -7.986 7.616 -4.296 199 HA LYS 27 HA LYS 27 -9.282 10.050 -4.598 200 HB2 LYS 27 HB3 LYS 27 -11.280 8.609 -5.468 201 HB3 LYS 27 HB2 LYS 27 -9.742 8.561 -6.322 202 HG2 LYS 27 HG3 LYS 27 -9.333 6.388 -5.750 203 HG3 LYS 27 HG2 LYS 27 -10.023 6.574 -4.131 204 HD2 LYS 27 HD3 LYS 27 -11.432 5.073 -5.432 205 HD3 LYS 27 HD2 LYS 27 -12.304 6.586 -5.182 206 HE2 LYS 27 HE3 LYS 27 -11.611 7.367 -7.413 207 HE3 LYS 27 HE2 LYS 27 -10.710 5.872 -7.663 208 HZ1 LYS 27 HZ1 LYS 27 -13.168 6.150 -8.508 209 HZ2 LYS 27 HZ2 LYS 27 -13.533 5.661 -6.922 210 HZ3 LYS 27 HZ3 LYS 27 -12.598 4.662 -7.929 211 H GLY 28 H GLY 28 -10.491 7.336 -2.519 212 HA2 GLY 28 HA3 GLY 28 -11.264 8.492 -0.296 213 HA3 GLY 28 HA2 GLY 28 -12.397 9.308 -1.359 214 H THR 29 H THR 29 -11.795 6.135 -2.438 215 HA THR 29 HA THR 29 -13.856 4.920 -0.722 216 HB THR 29 HB THR 29 -15.521 4.666 -2.307 217 HG1 THR 29 HG1 THR 29 -15.151 4.458 -4.399 218 HG21 THR 29 HG21 THR 29 -15.908 6.829 -3.414 219 HG22 THR 29 HG22 THR 29 -14.232 7.282 -3.119 220 HG23 THR 29 HG23 THR 29 -15.340 7.061 -1.764 221 H CYS 30 H CYS 30 -13.770 2.685 -0.749 222 HA CYS 30 HA CYS 30 -11.460 1.364 -1.843 223 HB2 CYS 30 HB3 CYS 30 -12.569 0.375 0.083 224 HB3 CYS 30 HB2 CYS 30 -14.093 0.271 -0.793 225 H GLN 31 H GLN 31 -11.186 0.622 -3.927 226 HA GLN 31 HA GLN 31 -13.220 1.140 -5.901 227 HB2 GLN 31 HB3 GLN 31 -11.726 0.082 -7.499 228 HB3 GLN 31 HB2 GLN 31 -10.797 1.133 -6.442 229 HG2 GLN 31 HG3 GLN 31 -9.504 -0.828 -6.505 230 HG3 GLN 31 HG2 GLN 31 -10.413 -1.004 -5.010 231 HE21 GLN 31 HE21 GLN 31 -12.045 -1.421 -8.120 232 HE22 GLN 31 HE22 GLN 31 -12.235 -3.102 -7.994 233 H SER 32 H SER 32 -12.940 -1.332 -3.660 234 HA SER 32 HA SER 32 -14.544 -3.196 -5.374 235 HB2 SER 32 HB3 SER 32 -12.381 -4.100 -4.492 236 HB3 SER 32 HB2 SER 32 -12.980 -3.837 -2.859 237 HG SER 32 HG SER 32 -13.611 -5.779 -4.700 238 H CYS 33 H CYS 33 -14.469 -1.286 -2.471 239 HA CYS 33 HA CYS 33 -17.231 -2.249 -1.804 240 HB2 CYS 33 HB3 CYS 33 -15.153 -1.235 0.162 241 HB3 CYS 33 HB2 CYS 33 -16.736 -1.895 0.552 242 H GLY 34 H GLY 34 -15.119 0.388 -2.478 243 HA2 GLY 34 HA3 GLY 34 -15.452 2.710 -2.451 244 HA3 GLY 34 HA2 GLY 34 -17.092 2.300 -2.960 245 H VAL 35 H VAL 35 -15.183 2.069 0.053 246 HA VAL 35 HA VAL 35 -17.622 2.722 1.586 247 HB VAL 35 HB VAL 35 -16.113 2.114 3.553 248 HG11 VAL 35 HG11 VAL 35 -17.264 0.458 1.438 249 HG12 VAL 35 HG12 VAL 35 -17.273 0.203 3.179 250 HG13 VAL 35 HG13 VAL 35 -15.908 -0.354 2.213 251 HG21 VAL 35 HG21 VAL 35 -14.019 2.596 2.075 252 HG22 VAL 35 HG22 VAL 35 -14.296 0.982 1.428 253 HG23 VAL 35 HG23 VAL 35 -13.980 1.199 3.148 254 H THR 36 H THR 36 -14.321 4.099 1.120 255 HA THR 36 HA THR 36 -15.054 6.759 1.376 256 HB THR 36 HB THR 36 -15.968 6.618 3.534 257 HG1 THR 36 HG1 THR 36 -13.463 6.970 4.574 258 HG21 THR 36 HG21 THR 36 -15.670 4.556 4.474 259 HG22 THR 36 HG22 THR 36 -14.305 5.326 5.280 260 HG23 THR 36 HG23 THR 36 -14.043 4.384 3.814 261 H GLY 37 H GLY 37 -13.108 8.062 2.584 262 HA2 GLY 37 HA3 GLY 37 -10.661 7.008 1.308 263 HA3 GLY 37 HA2 GLY 37 -10.898 8.648 1.869 264 HA PRO 38 HA PRO 38 -8.944 8.206 5.722 265 HB2 PRO 38 HB3 PRO 38 -11.209 7.886 7.481 266 HB3 PRO 38 HB2 PRO 38 -10.173 9.303 7.259 267 HG2 PRO 38 HG3 PRO 38 -12.826 8.767 6.169 268 HG3 PRO 38 HG2 PRO 38 -11.941 10.295 6.270 269 HD2 PRO 38 HD3 PRO 38 -12.406 8.963 3.906 270 HD3 PRO 38 HD2 PRO 38 -11.031 10.058 4.159 271 H ASN 39 H ASN 39 -7.959 6.469 6.478 272 HA ASN 39 HA ASN 39 -7.561 4.314 7.266 273 HB2 ASN 39 HB3 ASN 39 -10.216 4.869 8.124 274 HB3 ASN 39 HB2 ASN 39 -10.218 3.234 7.468 275 HD21 ASN 39 HD21 ASN 39 -8.514 5.325 9.833 276 HD22 ASN 39 HD22 ASN 39 -7.990 4.045 10.817 277 H LEU 40 H LEU 40 -7.900 4.956 4.401 278 HA LEU 40 HA LEU 40 -9.151 2.538 3.276 279 HB2 LEU 40 HB3 LEU 40 -7.917 5.023 2.169 280 HB3 LEU 40 HB2 LEU 40 -7.828 3.590 1.161 281 HG LEU 40 HG LEU 40 -10.324 4.962 2.200 282 HD11 LEU 40 HD11 LEU 40 -10.782 5.302 -0.147 283 HD12 LEU 40 HD12 LEU 40 -9.464 4.236 -0.609 284 HD13 LEU 40 HD13 LEU 40 -9.111 5.795 0.127 285 HD21 LEU 40 HD21 LEU 40 -9.893 2.178 1.174 286 HD22 LEU 40 HD22 LEU 40 -11.323 3.040 0.610 287 HD23 LEU 40 HD23 LEU 40 -11.085 2.768 2.334 288 H TRP 41 H TRP 41 -7.639 1.415 1.534 289 HA TRP 41 HA TRP 41 -4.821 1.290 2.224 290 HB2 TRP 41 HB3 TRP 41 -6.598 -0.377 3.702 291 HB3 TRP 41 HB2 TRP 41 -5.721 -1.417 2.585 292 HD1 TRP 41 HD TRP 41 -2.922 -0.300 2.479 293 HE1 TRP 41 HE1 TRP 41 -1.391 -0.178 4.551 294 HE3 TRP 41 HE3 TRP 41 -6.428 -0.484 6.185 295 HZ2 TRP 41 HZ2 TRP 41 -1.625 -0.159 7.403 296 HZ3 TRP 41 HZ3 TRP 41 -5.750 -0.413 8.566 297 HH2 TRP 41 HH2 TRP 41 -3.354 -0.251 9.179 298 H ALA 42 H ALA 42 -4.370 1.519 0.048 299 HA ALA 42 HA ALA 42 -5.665 -0.327 -1.862 300 HB1 ALA 42 HB1 ALA 42 -5.515 2.037 -2.484 301 HB2 ALA 42 HB2 ALA 42 -4.535 1.062 -3.575 302 HB3 ALA 42 HB3 ALA 42 -3.764 1.993 -2.293 303 H CYS 43 H CYS 43 -4.567 -1.869 -3.017 304 HA CYS 43 HA CYS 43 -2.255 -3.081 -1.876 305 HB2 CYS 43 HB3 CYS 43 -3.984 -4.132 -3.442 306 HB3 CYS 43 HB2 CYS 43 -3.116 -3.347 -4.763 307 H LEU 44 H LEU 44 -0.054 -3.097 -2.689 308 HA LEU 44 HA LEU 44 0.585 -0.877 -4.576 309 HB2 LEU 44 HB3 LEU 44 0.894 -0.233 -2.135 310 HB3 LEU 44 HB2 LEU 44 2.179 -1.434 -2.074 311 HG LEU 44 HG LEU 44 3.114 -0.198 -4.181 312 HD11 LEU 44 HD11 LEU 44 1.159 1.805 -3.048 313 HD12 LEU 44 HD12 LEU 44 1.322 1.271 -4.719 314 HD13 LEU 44 HD13 LEU 44 2.560 2.296 -3.996 315 HD21 LEU 44 HD21 LEU 44 4.213 -0.202 -1.978 316 HD22 LEU 44 HD22 LEU 44 3.157 1.104 -1.442 317 HD23 LEU 44 HD23 LEU 44 4.330 1.390 -2.725 318 H GLN 45 H GLN 45 0.532 -3.514 -5.472 319 HA GLN 45 HA GLN 45 3.362 -4.414 -5.337 320 HB2 GLN 45 HB3 GLN 45 1.203 -5.834 -6.873 321 HB3 GLN 45 HB2 GLN 45 2.692 -6.488 -6.187 322 HG2 GLN 45 HG3 GLN 45 1.081 -5.305 -4.087 323 HG3 GLN 45 HG2 GLN 45 0.130 -6.479 -4.996 324 HE21 GLN 45 HE21 GLN 45 1.837 -6.414 -2.263 325 HE22 GLN 45 HE22 GLN 45 2.592 -7.935 -2.302 326 H VAL 46 H VAL 46 4.633 -4.595 -7.179 327 HA VAL 46 HA VAL 46 4.725 -2.598 -9.046 328 HB VAL 46 HB VAL 46 6.469 -4.330 -8.808 329 HG11 VAL 46 HG11 VAL 46 6.202 -6.518 -9.770 330 HG12 VAL 46 HG12 VAL 46 4.653 -6.075 -10.486 331 HG13 VAL 46 HG13 VAL 46 4.802 -6.236 -8.736 332 HG21 VAL 46 HG21 VAL 46 6.200 -2.870 -10.896 333 HG22 VAL 46 HG22 VAL 46 5.481 -4.284 -11.667 334 HG23 VAL 46 HG23 VAL 46 7.149 -4.342 -11.099 335 H ALA 47 H ALA 47 2.326 -5.131 -9.064 336 HA ALA 47 HA ALA 47 1.254 -3.947 -11.572 337 HB1 ALA 47 HB1 ALA 47 1.909 -6.878 -11.201 338 HB2 ALA 47 HB2 ALA 47 2.548 -5.782 -12.426 339 HB3 ALA 47 HB3 ALA 47 0.854 -6.271 -12.478 340 H CYS 48 H CYS 48 0.085 -3.496 -9.126 341 HA CYS 48 HA CYS 48 -2.454 -4.997 -9.453 342 HB2 CYS 48 HB3 CYS 48 -0.941 -6.042 -7.631 343 HB3 CYS 48 HB2 CYS 48 -1.314 -4.596 -6.693 344 HA PRO 49 HA PRO 49 -3.143 -0.538 -8.570 345 HB2 PRO 49 HB3 PRO 49 -4.467 0.119 -10.824 346 HB3 PRO 49 HB2 PRO 49 -2.698 -0.031 -10.798 347 HG2 PRO 49 HG3 PRO 49 -4.738 -1.904 -11.874 348 HG3 PRO 49 HG2 PRO 49 -3.106 -1.548 -12.463 349 HD2 PRO 49 HD3 PRO 49 -3.846 -3.775 -10.886 350 HD3 PRO 49 HD2 PRO 49 -2.186 -3.223 -11.198 351 H TYR 50 H TYR 50 -4.674 -0.879 -6.920 352 HA TYR 50 HA TYR 50 -7.465 -0.588 -7.595 353 HB2 TYR 50 HB3 TYR 50 -6.480 -3.286 -6.624 354 HB3 TYR 50 HB2 TYR 50 -8.146 -2.757 -6.400 355 HD1 TYR 50 HD1 TYR 50 -5.903 -4.408 -8.592 356 HD2 TYR 50 HD2 TYR 50 -9.348 -1.841 -8.569 357 HE1 TYR 50 HE1 TYR 50 -6.436 -5.102 -10.911 358 HE2 TYR 50 HE2 TYR 50 -9.881 -2.535 -10.889 359 HH TYR 50 HH TYR 50 -8.004 -5.058 -12.528 360 H VAL 51 H VAL 51 -8.429 0.415 -5.802 361 HA VAL 51 HA VAL 51 -6.766 0.464 -3.345 362 HB VAL 51 HB VAL 51 -7.136 2.671 -4.051 363 HG11 VAL 51 HG11 VAL 51 -10.056 1.944 -4.412 364 HG12 VAL 51 HG12 VAL 51 -8.885 2.170 -5.713 365 HG13 VAL 51 HG13 VAL 51 -9.351 3.534 -4.698 366 HG21 VAL 51 HG21 VAL 51 -7.917 1.941 -1.606 367 HG22 VAL 51 HG22 VAL 51 -9.476 2.510 -2.200 368 HG23 VAL 51 HG23 VAL 51 -8.091 3.601 -2.175 369 H GLY 52 H GLY 52 -7.330 -1.096 -1.976 370 HA2 GLY 52 HA3 GLY 52 -10.117 -1.994 -1.765 371 HA3 GLY 52 HA2 GLY 52 -8.741 -2.685 -0.921 372 H CYS 53 H CYS 53 -10.528 -2.508 0.853 373 HA CYS 53 HA CYS 53 -10.681 0.211 2.043 374 HB2 CYS 53 HB3 CYS 53 -11.971 -1.398 3.818 375 HB3 CYS 53 HB2 CYS 53 -12.791 -0.651 2.473 376 H GLY 54 H GLY 54 -10.579 0.183 4.420 377 HA2 GLY 54 HA3 GLY 54 -8.356 -1.524 5.462 378 HA3 GLY 54 HA2 GLY 54 -8.584 0.170 5.951 379 H GLU 55 H GLU 55 -8.828 -2.002 7.856 380 HA GLU 55 HA GLU 55 -11.108 -3.222 8.490 381 HB2 GLU 55 HB3 GLU 55 -10.959 -2.559 10.782 382 HB3 GLU 55 HB2 GLU 55 -9.313 -2.577 10.155 383 HG2 GLU 55 HG3 GLU 55 -9.656 -0.079 9.655 384 HG3 GLU 55 HG2 GLU 55 -11.072 -0.188 10.701 385 H SER 56 H SER 56 -10.870 0.259 8.226 386 HA SER 56 HA SER 56 -13.168 1.372 9.083 387 HB2 SER 56 HB3 SER 56 -11.521 1.745 6.733 388 HB3 SER 56 HB2 SER 56 -13.197 2.061 6.336 389 HG SER 56 HG SER 56 -12.673 3.113 8.726 390 H PHE 57 H PHE 57 -12.976 -0.857 6.317 391 HA PHE 57 HA PHE 57 -15.944 -1.226 6.534 392 HB2 PHE 57 HB3 PHE 57 -15.340 -0.247 4.388 393 HB3 PHE 57 HB2 PHE 57 -14.194 -1.531 4.093 394 HD1 PHE 57 HD1 PHE 57 -17.778 -1.211 5.187 395 HD2 PHE 57 HD2 PHE 57 -14.930 -3.257 2.704 396 HE1 PHE 57 HE1 PHE 57 -19.592 -2.632 4.275 397 HE2 PHE 57 HE2 PHE 57 -16.747 -4.676 1.792 398 HZ PHE 57 HZ PHE 57 -19.078 -4.363 2.577 399 H ALA 58 H ALA 58 -13.887 -3.147 4.548 400 HA ALA 58 HA ALA 58 -14.187 -5.454 6.446 401 HB1 ALA 58 HB1 ALA 58 -15.572 -5.593 4.324 402 HB2 ALA 58 HB2 ALA 58 -14.436 -6.924 4.549 403 HB3 ALA 58 HB3 ALA 58 -14.057 -5.621 3.421 404 H ASP 59 H ASP 59 -12.078 -3.316 5.170 405 HA ASP 59 HA ASP 59 -9.768 -3.268 4.890 406 HB2 ASP 59 HB3 ASP 59 -9.696 -3.960 7.191 407 HB3 ASP 59 HB2 ASP 59 -10.036 -5.627 6.768 408 H HIS 60 H HIS 60 -10.580 -4.107 2.572 409 HA HIS 60 HA HIS 60 -10.198 -6.765 1.731 410 HB2 HIS 60 HB3 HIS 60 -10.020 -4.121 0.448 411 HB3 HIS 60 HB2 HIS 60 -8.993 -5.319 -0.313 412 HD2 HIS 60 HD2 HIS 60 -10.630 -7.865 -0.771 413 HE1 HIS 60 HE1 HIS 60 -14.046 -5.560 -1.666 414 HE2 HIS 60 HE2 HIS 60 -13.007 -7.863 -1.829 415 H SER 61 H SER 61 -7.982 -4.373 2.831 416 HA SER 61 HA SER 61 -5.490 -5.116 1.882 417 HB2 SER 61 HB3 SER 61 -6.290 -3.448 3.795 418 HB3 SER 61 HB2 SER 61 -5.769 -4.758 4.844 419 HG SER 61 HG SER 61 -4.301 -3.138 3.096 420 H THR 62 H THR 62 -7.508 -6.925 4.144 421 HA THR 62 HA THR 62 -5.334 -8.834 4.670 422 HB THR 62 HB THR 62 -7.330 -10.027 5.860 423 HG1 THR 62 HG1 THR 62 -8.516 -7.738 6.430 424 HG21 THR 62 HG21 THR 62 -7.071 -8.264 7.773 425 HG22 THR 62 HG22 THR 62 -5.899 -7.515 6.688 426 HG23 THR 62 HG23 THR 62 -5.651 -9.169 7.248 427 H ILE 63 H ILE 63 -8.730 -9.279 3.600 428 HA ILE 63 HA ILE 63 -8.284 -11.851 2.574 429 HB ILE 63 HB ILE 63 -10.298 -11.384 1.093 430 HG12 ILE 63 HG13 ILE 63 -10.398 -8.836 2.713 431 HG13 ILE 63 HG12 ILE 63 -9.744 -8.907 1.077 432 HG21 ILE 63 HG21 ILE 63 -11.805 -11.086 3.159 433 HG22 ILE 63 HG22 ILE 63 -10.312 -10.985 4.093 434 HG23 ILE 63 HG23 ILE 63 -10.690 -12.452 3.190 435 HD11 ILE 63 HD11 ILE 63 -11.841 -9.612 0.165 436 HD12 ILE 63 HD12 ILE 63 -12.213 -8.273 1.250 437 HD13 ILE 63 HD13 ILE 63 -12.503 -9.933 1.767 438 H HIS 64 H HIS 64 -7.771 -8.716 1.148 439 HA HIS 64 HA HIS 64 -7.297 -9.648 -1.550 440 HB2 HIS 64 HB3 HIS 64 -7.846 -7.277 -1.069 441 HB3 HIS 64 HB2 HIS 64 -6.315 -7.111 -0.205 442 HD1 HIS 64 HD1 HIS 64 -7.762 -6.950 -3.567 443 HD2 HIS 64 HD2 HIS 64 -3.976 -7.587 -1.942 444 HE1 HIS 64 HE1 HIS 64 -6.106 -6.639 -5.461 445 H ALA 65 H ALA 65 -5.192 -8.931 1.246 446 HA ALA 65 HA ALA 65 -2.760 -9.637 -0.238 447 HB1 ALA 65 HB1 ALA 65 -3.338 -9.246 2.719 448 HB2 ALA 65 HB2 ALA 65 -2.532 -8.109 1.639 449 HB3 ALA 65 HB3 ALA 65 -1.735 -9.618 2.085 450 H GLN 66 H GLN 66 -5.257 -11.144 1.417 451 HA GLN 66 HA GLN 66 -3.935 -13.650 2.106 452 HB2 GLN 66 HB3 GLN 66 -5.723 -12.814 3.476 453 HB3 GLN 66 HB2 GLN 66 -6.733 -12.576 2.079 454 HG2 GLN 66 HG3 GLN 66 -7.676 -14.516 2.756 455 HG3 GLN 66 HG2 GLN 66 -6.352 -15.228 1.835 456 HE21 GLN 66 HE21 GLN 66 -7.177 -14.160 5.171 457 HE22 GLN 66 HE22 GLN 66 -6.158 -15.277 5.943 458 H ALA 67 H ALA 67 -6.060 -12.428 -0.458 459 HA ALA 67 HA ALA 67 -6.324 -15.098 -1.659 460 HB1 ALA 67 HB1 ALA 67 -7.535 -12.407 -2.114 461 HB2 ALA 67 HB2 ALA 67 -8.319 -13.978 -1.965 462 HB3 ALA 67 HB3 ALA 67 -7.511 -13.536 -3.469 463 H LYS 68 H LYS 68 -4.869 -11.964 -2.461 464 HA LYS 68 HA LYS 68 -3.551 -13.184 -4.827 465 HB2 LYS 68 HB3 LYS 68 -3.544 -10.310 -3.861 466 HB3 LYS 68 HB2 LYS 68 -2.970 -10.896 -5.419 467 HG2 LYS 68 HG3 LYS 68 -5.097 -10.323 -6.088 468 HG3 LYS 68 HG2 LYS 68 -5.467 -11.931 -5.469 469 HD2 LYS 68 HD3 LYS 68 -6.160 -11.014 -3.334 470 HD3 LYS 68 HD2 LYS 68 -5.642 -9.403 -3.816 471 HE2 LYS 68 HE3 LYS 68 -7.827 -11.014 -5.162 472 HE3 LYS 68 HE2 LYS 68 -8.086 -9.660 -4.063 473 HZ1 LYS 68 HZ1 LYS 68 -7.430 -9.634 -6.834 474 HZ2 LYS 68 HZ2 LYS 68 -6.313 -8.727 -5.931 475 HZ3 LYS 68 HZ3 LYS 68 -7.970 -8.366 -5.845 476 H LYS 69 H LYS 69 -2.947 -13.051 -1.652 477 HA LYS 69 HA LYS 69 -1.026 -13.215 -0.346 478 HB2 LYS 69 HB3 LYS 69 -0.260 -14.275 -3.023 479 HB3 LYS 69 HB2 LYS 69 1.059 -13.915 -1.911 480 HG2 LYS 69 HG3 LYS 69 0.158 -16.279 -1.765 481 HG3 LYS 69 HG2 LYS 69 0.167 -15.394 -0.241 482 HD2 LYS 69 HD3 LYS 69 -2.137 -15.211 -0.169 483 HD3 LYS 69 HD2 LYS 69 -2.302 -15.210 -1.923 484 HE2 LYS 69 HE3 LYS 69 -1.898 -17.591 -2.031 485 HE3 LYS 69 HE2 LYS 69 -1.482 -17.646 -0.317 486 HZ1 LYS 69 HZ1 LYS 69 -3.625 -18.156 -0.045 487 HZ2 LYS 69 HZ2 LYS 69 -4.071 -17.589 -1.584 488 HZ3 LYS 69 HZ3 LYS 69 -3.918 -16.503 -0.287 489 H HIS 70 H HIS 70 -1.615 -10.648 -2.062 490 HA HIS 70 HA HIS 70 1.050 -9.450 -2.355 491 HB2 HIS 70 HB3 HIS 70 -1.735 -8.227 -2.348 492 HB3 HIS 70 HB2 HIS 70 -0.260 -7.335 -2.701 493 HD2 HIS 70 HD2 HIS 70 0.872 -10.180 -4.469 494 HE1 HIS 70 HE1 HIS 70 -2.119 -8.837 -7.124 495 HE2 HIS 70 HE2 HIS 70 -0.081 -10.323 -6.888 496 H ASN 71 H ASN 71 2.233 -8.846 -0.565 497 HA ASN 71 HA ASN 71 0.831 -8.596 2.014 498 HB2 ASN 71 HB3 ASN 71 3.280 -8.260 2.795 499 HB3 ASN 71 HB2 ASN 71 2.780 -9.847 2.218 500 HD21 ASN 71 HD21 ASN 71 3.159 -10.177 -0.262 501 HD22 ASN 71 HD22 ASN 71 4.590 -9.526 -0.902 502 H LEU 72 H LEU 72 2.831 -6.529 -0.084 503 HA LEU 72 HA LEU 72 2.640 -4.306 1.783 504 HB2 LEU 72 HB3 LEU 72 3.674 -4.521 -1.040 505 HB3 LEU 72 HB2 LEU 72 3.752 -3.041 -0.085 506 HG LEU 72 HG LEU 72 4.817 -5.654 0.981 507 HD11 LEU 72 HD11 LEU 72 7.084 -4.662 0.230 508 HD12 LEU 72 HD12 LEU 72 6.129 -3.684 -0.882 509 HD13 LEU 72 HD13 LEU 72 6.084 -5.441 -0.994 510 HD21 LEU 72 HD21 LEU 72 5.161 -2.718 1.624 511 HD22 LEU 72 HD22 LEU 72 6.340 -3.910 2.162 512 HD23 LEU 72 HD23 LEU 72 4.666 -4.026 2.698 513 H THR 73 H THR 73 1.284 -2.682 1.818 514 HA THR 73 HA THR 73 -0.389 -1.941 -0.487 515 HB THR 73 HB THR 73 -2.486 -2.246 0.584 516 HG1 THR 73 HG1 THR 73 -1.295 -1.552 2.681 517 HG21 THR 73 HG21 THR 73 -2.568 -4.594 1.216 518 HG22 THR 73 HG22 THR 73 -0.834 -4.603 1.529 519 HG23 THR 73 HG23 THR 73 -1.432 -4.399 -0.117 520 H VAL 74 H VAL 74 -1.327 0.290 -0.029 521 HA VAL 74 HA VAL 74 0.209 1.597 2.189 522 HB VAL 74 HB VAL 74 1.216 2.345 0.198 523 HG11 VAL 74 HG11 VAL 74 -0.139 3.178 -1.729 524 HG12 VAL 74 HG12 VAL 74 -1.605 2.705 -0.871 525 HG13 VAL 74 HG13 VAL 74 -0.448 1.478 -1.379 526 HG21 VAL 74 HG21 VAL 74 0.803 4.682 0.222 527 HG22 VAL 74 HG22 VAL 74 0.342 4.147 1.835 528 HG23 VAL 74 HG23 VAL 74 -0.900 4.465 0.626 529 H ASN 75 H ASN 75 -0.942 2.570 3.684 530 HA ASN 75 HA ASN 75 -3.835 2.869 3.421 531 HB2 ASN 75 HB3 ASN 75 -2.567 2.269 5.568 532 HB3 ASN 75 HB2 ASN 75 -2.089 3.966 5.635 533 HD21 ASN 75 HD21 ASN 75 -4.888 4.465 4.236 534 HD22 ASN 75 HD22 ASN 75 -5.956 4.477 5.555 535 H LEU 76 H LEU 76 -4.361 4.469 1.972 536 HA LEU 76 HA LEU 76 -2.860 6.929 1.720 537 HB2 LEU 76 HB3 LEU 76 -5.716 6.461 0.849 538 HB3 LEU 76 HB2 LEU 76 -4.544 7.579 0.157 539 HG LEU 76 HG LEU 76 -3.456 4.887 0.187 540 HD11 LEU 76 HD11 LEU 76 -5.897 4.305 0.080 541 HD12 LEU 76 HD12 LEU 76 -4.959 3.779 -1.314 542 HD13 LEU 76 HD13 LEU 76 -5.985 5.205 -1.434 543 HD21 LEU 76 HD21 LEU 76 -2.938 7.004 -1.273 544 HD22 LEU 76 HD22 LEU 76 -4.231 6.380 -2.295 545 HD23 LEU 76 HD23 LEU 76 -2.805 5.399 -1.988 546 H THR 77 H THR 77 -4.139 6.040 4.363 547 HA THR 77 HA THR 77 -5.793 8.440 4.957 548 HB THR 77 HB THR 77 -5.139 6.033 6.681 549 HG1 THR 77 HG1 THR 77 -6.411 5.707 4.711 550 HG21 THR 77 HG21 THR 77 -7.067 8.344 6.980 551 HG22 THR 77 HG22 THR 77 -5.738 7.912 8.051 552 HG23 THR 77 HG23 THR 77 -7.159 6.875 7.951 553 H THR 78 H THR 78 -2.850 6.736 5.889 554 HA THR 78 HA THR 78 -1.955 9.188 7.351 555 HB THR 78 HB THR 78 -1.038 6.343 7.821 556 HG1 THR 78 HG1 THR 78 -2.919 6.239 8.756 557 HG21 THR 78 HG21 THR 78 0.640 7.904 8.518 558 HG22 THR 78 HG22 THR 78 -0.218 7.412 9.978 559 HG23 THR 78 HG23 THR 78 -0.564 8.975 9.236 560 H PHE 79 H PHE 79 -1.309 7.092 4.725 561 HA PHE 79 HA PHE 79 0.313 7.356 3.039 562 HB2 PHE 79 HB3 PHE 79 0.372 9.807 4.178 563 HB3 PHE 79 HB2 PHE 79 1.988 9.254 4.613 564 HD1 PHE 79 HD1 PHE 79 3.681 8.844 2.913 565 HD2 PHE 79 HD2 PHE 79 -0.301 10.026 1.822 566 HE1 PHE 79 HE1 PHE 79 4.453 9.315 0.604 567 HE2 PHE 79 HE2 PHE 79 0.469 10.495 -0.488 568 HZ PHE 79 HZ PHE 79 2.847 10.140 -1.096 569 H ARG 80 H ARG 80 0.523 5.198 4.545 570 HA ARG 80 HA ARG 80 3.452 4.825 4.809 571 HB2 ARG 80 HB3 ARG 80 2.561 3.251 6.868 572 HB3 ARG 80 HB2 ARG 80 3.272 4.845 7.086 573 HG2 ARG 80 HG3 ARG 80 1.199 5.868 7.427 574 HG3 ARG 80 HG2 ARG 80 0.319 4.612 6.553 575 HD2 ARG 80 HD3 ARG 80 0.508 3.075 8.344 576 HD3 ARG 80 HD2 ARG 80 1.775 4.010 9.127 577 HE ARG 80 HE ARG 80 0.087 5.613 9.850 578 HH11 ARG 80 HH11 ARG 80 -2.009 5.833 10.645 579 HH12 ARG 80 HH12 ARG 80 -3.227 4.692 10.180 580 HH21 ARG 80 HH21 ARG 80 -1.105 2.829 8.175 581 HH22 ARG 80 HH22 ARG 80 -2.715 2.996 8.786 582 H LEU 81 H LEU 81 3.664 2.240 5.255 583 HA LEU 81 HA LEU 81 1.782 0.978 3.309 584 HB2 LEU 81 HB3 LEU 81 4.702 0.865 3.639 585 HB3 LEU 81 HB2 LEU 81 3.943 -0.675 3.279 586 HG LEU 81 HG LEU 81 3.171 1.735 1.684 587 HD11 LEU 81 HD11 LEU 81 5.603 1.872 1.691 588 HD12 LEU 81 HD12 LEU 81 5.063 1.280 0.119 589 HD13 LEU 81 HD13 LEU 81 5.730 0.156 1.303 590 HD21 LEU 81 HD21 LEU 81 2.690 -1.071 1.574 591 HD22 LEU 81 HD22 LEU 81 3.697 -0.680 0.188 592 HD23 LEU 81 HD23 LEU 81 2.165 0.154 0.423 593 H TRP 82 H TRP 82 1.929 -1.523 3.610 594 HA TRP 82 HA TRP 82 2.114 -2.383 6.407 595 HB2 TRP 82 HB3 TRP 82 -0.220 -1.363 6.029 596 HB3 TRP 82 HB2 TRP 82 -0.514 -2.727 4.954 597 HD1 TRP 82 HD TRP 82 1.149 -2.505 8.455 598 HE1 TRP 82 HE1 TRP 82 0.059 -4.283 9.966 599 HE3 TRP 82 HE3 TRP 82 -2.295 -4.433 5.211 600 HZ2 TRP 82 HZ2 TRP 82 -2.001 -6.261 9.823 601 HZ3 TRP 82 HZ3 TRP 82 -3.808 -6.261 5.927 602 HH2 TRP 82 HH2 TRP 82 -3.665 -7.176 8.227 603 H CYS 83 H CYS 83 3.357 -4.162 6.053 604 HA CYS 83 HA CYS 83 2.965 -5.737 3.589 605 HB2 CYS 83 HB3 CYS 83 5.216 -4.997 4.900 606 HB3 CYS 83 HB2 CYS 83 4.947 -6.581 5.619 607 H TYR 84 H TYR 84 1.320 -7.261 3.766 608 HA TYR 84 HA TYR 84 0.637 -8.447 6.333 609 HB2 TYR 84 HB3 TYR 84 -0.826 -8.259 4.131 610 HB3 TYR 84 HB2 TYR 84 -0.018 -9.767 3.696 611 HD1 TYR 84 HD1 TYR 84 -1.078 -11.746 4.313 612 HD2 TYR 84 HD2 TYR 84 -1.651 -8.227 6.709 613 HE1 TYR 84 HE1 TYR 84 -2.626 -13.001 5.788 614 HE2 TYR 84 HE2 TYR 84 -3.199 -9.482 8.184 615 HH TYR 84 HH TYR 84 -4.601 -11.441 8.132 616 H ALA 85 H ALA 85 3.320 -8.640 4.560 617 HA ALA 85 HA ALA 85 3.811 -11.530 5.020 618 HB1 ALA 85 HB1 ALA 85 5.179 -9.434 3.335 619 HB2 ALA 85 HB2 ALA 85 4.553 -11.007 2.840 620 HB3 ALA 85 HB3 ALA 85 6.027 -10.910 3.797 621 H CYS 86 H CYS 86 5.815 -8.547 5.253 622 HA CYS 86 HA CYS 86 7.298 -9.534 7.514 623 HB2 CYS 86 HB3 CYS 86 6.815 -6.640 6.707 624 HB3 CYS 86 HB2 CYS 86 8.136 -7.248 7.699 625 H GLU 87 H GLU 87 4.188 -8.491 6.972 626 HA GLU 87 HA GLU 87 2.410 -7.813 8.325 627 HB2 GLU 87 HB3 GLU 87 3.760 -10.078 9.419 628 HB3 GLU 87 HB2 GLU 87 3.189 -9.085 10.750 629 HG2 GLU 87 HG3 GLU 87 1.425 -9.855 8.422 630 HG3 GLU 87 HG2 GLU 87 1.534 -10.815 9.896 631 H LYS 88 H LYS 88 3.720 -5.669 8.155 632 HA LYS 88 HA LYS 88 3.646 -4.449 10.807 633 HB2 LYS 88 HB3 LYS 88 6.031 -3.521 10.491 634 HB3 LYS 88 HB2 LYS 88 5.895 -5.200 11.017 635 HG2 LYS 88 HG3 LYS 88 6.277 -6.012 8.791 636 HG3 LYS 88 HG2 LYS 88 6.157 -4.392 8.113 637 HD2 LYS 88 HD3 LYS 88 8.510 -5.018 8.282 638 HD3 LYS 88 HD2 LYS 88 8.167 -3.730 9.438 639 HE2 LYS 88 HE3 LYS 88 7.880 -6.571 10.354 640 HE3 LYS 88 HE2 LYS 88 9.501 -5.901 10.189 641 HZ1 LYS 88 HZ1 LYS 88 7.424 -4.369 11.600 642 HZ2 LYS 88 HZ2 LYS 88 9.112 -4.313 11.783 643 HZ3 LYS 88 HZ3 LYS 88 8.230 -5.626 12.404 644 H GLU 89 H GLU 89 4.612 -2.026 10.397 645 HA GLU 89 HA GLU 89 3.296 -1.096 7.877 646 HB2 GLU 89 HB3 GLU 89 2.961 -0.304 10.568 647 HB3 GLU 89 HB2 GLU 89 3.856 1.009 9.807 648 HG2 GLU 89 HG3 GLU 89 2.152 1.450 8.262 649 HG3 GLU 89 HG2 GLU 89 1.445 -0.157 8.423 650 H VAL 90 H VAL 90 4.468 0.318 6.483 651 HA VAL 90 HA VAL 90 7.193 1.101 7.378 652 HB VAL 90 HB VAL 90 8.066 0.218 5.107 653 HG11 VAL 90 HG11 VAL 90 8.643 -0.747 7.306 654 HG12 VAL 90 HG12 VAL 90 8.479 -2.003 6.078 655 HG13 VAL 90 HG13 VAL 90 7.187 -1.740 7.249 656 HG21 VAL 90 HG21 VAL 90 5.294 -0.819 5.133 657 HG22 VAL 90 HG22 VAL 90 6.517 -2.038 4.789 658 HG23 VAL 90 HG23 VAL 90 6.402 -0.601 3.780 659 H PHE 91 H PHE 91 7.933 2.955 6.399 660 HA PHE 91 HA PHE 91 6.012 4.376 4.615 661 HB2 PHE 91 HB3 PHE 91 8.384 5.412 6.199 662 HB3 PHE 91 HB2 PHE 91 7.307 6.397 5.216 663 HD1 PHE 91 HD1 PHE 91 7.184 3.897 8.017 664 HD2 PHE 91 HD2 PHE 91 5.447 7.398 6.233 665 HE1 PHE 91 HE1 PHE 91 5.625 4.102 9.934 666 HE2 PHE 91 HE2 PHE 91 3.888 7.601 8.151 667 HZ PHE 91 HZ PHE 91 3.976 5.953 10.001 668 H LEU 92 H LEU 92 7.160 5.813 2.951 669 HA LEU 92 HA LEU 92 8.665 4.325 1.133 670 HB2 LEU 92 HB3 LEU 92 8.785 7.311 1.677 671 HB3 LEU 92 HB2 LEU 92 9.452 6.532 0.243 672 HG LEU 92 HG LEU 92 6.589 5.982 0.946 673 HD11 LEU 92 HD11 LEU 92 6.025 8.015 -0.521 674 HD12 LEU 92 HD12 LEU 92 7.666 8.566 -0.190 675 HD13 LEU 92 HD13 LEU 92 6.525 8.349 1.136 676 HD21 LEU 92 HD21 LEU 92 7.721 4.840 -0.945 677 HD22 LEU 92 HD22 LEU 92 8.072 6.409 -1.670 678 HD23 LEU 92 HD23 LEU 92 6.402 5.867 -1.507 679 H GLU 93 H GLU 93 10.874 3.986 0.887 680 HA GLU 93 HA GLU 93 12.504 3.620 3.112 681 HB2 GLU 93 HB3 GLU 93 14.434 3.769 1.437 682 HB3 GLU 93 HB2 GLU 93 13.160 2.606 1.062 683 HG2 GLU 93 HG3 GLU 93 12.068 4.425 -0.344 684 HG3 GLU 93 HG2 GLU 93 13.547 5.362 -0.129 685 H GLN 94 H GLN 94 11.366 6.569 2.240 686 HA GLN 94 HA GLN 94 11.971 8.749 2.833 687 HB2 GLN 94 HB3 GLN 94 14.211 7.551 4.464 688 HB3 GLN 94 HB2 GLN 94 13.319 9.041 4.761 689 HG2 GLN 94 HG3 GLN 94 11.234 7.575 5.008 690 HG3 GLN 94 HG2 GLN 94 12.337 6.199 5.068 691 HE21 GLN 94 HE21 GLN 94 13.588 5.890 6.995 692 HE22 GLN 94 HE22 GLN 94 13.408 6.864 8.374 693 H ARG 95 H ARG 95 14.310 6.578 1.490 694 HA ARG 95 HA ARG 95 16.562 8.173 1.104 695 HB2 ARG 95 HB3 ARG 95 17.170 6.663 -0.535 696 HB3 ARG 95 HB2 ARG 95 15.855 5.753 0.201 697 HG2 ARG 95 HG3 ARG 95 15.316 5.626 -2.067 698 HG3 ARG 95 HG2 ARG 95 14.344 6.995 -1.543 699 HD2 ARG 95 HD3 ARG 95 15.344 8.150 -3.224 700 HD3 ARG 95 HD2 ARG 95 16.789 8.162 -2.216 701 HE ARG 95 HE ARG 95 16.880 5.716 -3.541 702 HH11 ARG 95 HH11 ARG 95 17.970 5.473 -5.509 703 HH12 ARG 95 HH12 ARG 95 18.217 6.856 -6.522 704 HH21 ARG 95 HH21 ARG 95 16.620 9.052 -4.366 705 HH22 ARG 95 HH22 ARG 95 17.452 8.882 -5.875 706 H LEU 96 H LEU 96 13.419 8.425 -0.413 707 HA LEU 96 HA LEU 96 14.400 10.701 -2.082 708 HB2 LEU 96 HB3 LEU 96 12.211 10.470 -3.262 709 HB3 LEU 96 HB2 LEU 96 13.195 9.013 -3.347 710 HG LEU 96 HG LEU 96 11.779 8.530 -1.049 711 HD11 LEU 96 HD11 LEU 96 9.980 10.088 -2.931 712 HD12 LEU 96 HD12 LEU 96 10.384 10.513 -1.269 713 HD13 LEU 96 HD13 LEU 96 9.403 9.088 -1.600 714 HD21 LEU 96 HD21 LEU 96 10.344 7.076 -2.486 715 HD22 LEU 96 HD22 LEU 96 12.056 6.950 -2.892 716 HD23 LEU 96 HD23 LEU 96 10.977 7.905 -3.909 717 H ALA 97 H ALA 97 12.528 12.424 -2.331 718 HA ALA 97 HA ALA 97 10.930 12.869 0.074 719 HB1 ALA 97 HB1 ALA 97 12.073 15.035 0.632 720 HB2 ALA 97 HB2 ALA 97 13.354 14.598 -0.497 721 HB3 ALA 97 HB3 ALA 97 13.073 13.616 0.941 722 H ALA 98 H ALA 98 9.410 12.853 -1.801 723 HA ALA 98 HA ALA 98 8.831 15.568 -2.664 724 HB1 ALA 98 HB1 ALA 98 10.442 15.206 -4.375 725 HB2 ALA 98 HB2 ALA 98 8.887 14.888 -5.145 726 HB3 ALA 98 HB3 ALA 98 9.908 13.545 -4.633 727 HA PRO 99 HA PRO 99 5.314 12.510 -2.502 728 HB2 PRO 99 HB3 PRO 99 3.945 13.617 -0.434 729 HB3 PRO 99 HB2 PRO 99 5.287 12.481 -0.185 730 HG2 PRO 99 HG3 PRO 99 5.249 15.447 0.054 731 HG3 PRO 99 HG2 PRO 99 6.099 14.245 1.039 732 HD2 PRO 99 HD3 PRO 99 7.289 15.742 -0.976 733 HD3 PRO 99 HD2 PRO 99 7.914 14.191 -0.377 Start of MODEL 5 1 H1 MET 1 H1 MET 1 18.802 -1.324 -5.538 2 HA MET 1 HA MET 1 17.011 -2.882 -4.144 3 HB2 MET 1 HB3 MET 1 19.694 -1.655 -3.464 4 HB3 MET 1 HB2 MET 1 18.907 -2.860 -2.444 5 HG2 MET 1 HG3 MET 1 19.461 -3.292 -5.389 6 HG3 MET 1 HG2 MET 1 20.564 -3.806 -4.112 7 HE1 MET 1 HE1 MET 1 20.295 -6.319 -5.202 8 HE2 MET 1 HE2 MET 1 19.251 -5.502 -6.363 9 HE3 MET 1 HE3 MET 1 18.699 -6.983 -5.582 10 H GLY 2 H GLY 2 16.634 -2.670 -1.703 11 HA2 GLY 2 HA3 GLY 2 15.264 -0.128 -1.218 12 HA3 GLY 2 HA2 GLY 2 15.271 -1.523 -0.139 13 H ASP 3 H ASP 3 15.605 0.908 1.038 14 HA ASP 3 HA ASP 3 18.399 1.675 1.247 15 HB2 ASP 3 HB3 ASP 3 15.985 2.313 2.969 16 HB3 ASP 3 HB2 ASP 3 17.581 3.029 3.203 17 H SER 4 H SER 4 17.073 1.442 4.351 18 HA SER 4 HA SER 4 17.952 -1.267 4.959 19 HB2 SER 4 HB3 SER 4 19.775 -0.472 6.537 20 HB3 SER 4 HB2 SER 4 20.155 -0.325 4.823 21 HG SER 4 HG SER 4 19.621 1.854 4.935 22 H ARG 5 H ARG 5 15.574 0.350 5.391 23 HA ARG 5 HA ARG 5 15.054 -0.291 8.136 24 HB2 ARG 5 HB3 ARG 5 14.668 2.243 8.750 25 HB3 ARG 5 HB2 ARG 5 16.281 1.547 8.901 26 HG2 ARG 5 HG3 ARG 5 17.053 2.575 6.937 27 HG3 ARG 5 HG2 ARG 5 15.423 2.822 6.311 28 HD2 ARG 5 HD3 ARG 5 16.619 4.898 7.227 29 HD3 ARG 5 HD2 ARG 5 14.993 4.595 7.837 30 HE ARG 5 HE ARG 5 17.023 3.374 9.514 31 HH11 ARG 5 HH11 ARG 5 17.328 4.316 11.546 32 HH12 ARG 5 HH12 ARG 5 16.701 5.901 11.853 33 HH21 ARG 5 HH21 ARG 5 15.363 6.276 8.676 34 HH22 ARG 5 HH22 ARG 5 15.589 7.012 10.228 35 H ASP 6 H ASP 6 13.779 2.738 7.042 36 HA ASP 6 HA ASP 6 11.086 2.084 7.126 37 HB2 ASP 6 HB3 ASP 6 12.519 4.296 6.353 38 HB3 ASP 6 HB2 ASP 6 11.795 3.806 4.823 39 H LEU 7 H LEU 7 13.406 1.246 4.654 40 HA LEU 7 HA LEU 7 11.469 0.479 2.653 41 HB2 LEU 7 HB3 LEU 7 13.291 0.009 1.344 42 HB3 LEU 7 HB2 LEU 7 14.121 0.953 2.569 43 HG LEU 7 HG LEU 7 15.441 -0.990 2.266 44 HD11 LEU 7 HD11 LEU 7 14.160 -0.542 4.755 45 HD12 LEU 7 HD12 LEU 7 15.716 -1.301 4.458 46 HD13 LEU 7 HD13 LEU 7 14.263 -2.288 4.544 47 HD21 LEU 7 HD21 LEU 7 14.664 -2.990 1.579 48 HD22 LEU 7 HD22 LEU 7 13.094 -2.212 1.410 49 HD23 LEU 7 HD23 LEU 7 13.491 -3.086 2.890 50 H CYS 8 H CYS 8 11.106 -1.794 1.956 51 HA CYS 8 HA CYS 8 11.329 -3.749 4.206 52 HB2 CYS 8 HB3 CYS 8 9.074 -3.851 4.358 53 HB3 CYS 8 HB2 CYS 8 8.902 -2.674 3.059 54 HA PRO 9 HA PRO 9 13.135 -6.611 1.393 55 HB2 PRO 9 HB3 PRO 9 11.565 -8.879 1.802 56 HB3 PRO 9 HB2 PRO 9 12.873 -8.356 2.872 57 HG2 PRO 9 HG3 PRO 9 9.957 -7.843 3.099 58 HG3 PRO 9 HG2 PRO 9 11.074 -8.368 4.361 59 HD2 PRO 9 HD3 PRO 9 10.351 -5.819 4.258 60 HD3 PRO 9 HD2 PRO 9 12.068 -6.211 4.520 61 H HIS 10 H HIS 10 9.623 -7.180 1.361 62 HA HIS 10 HA HIS 10 9.594 -7.796 -1.487 63 HB2 HIS 10 HB3 HIS 10 7.083 -7.070 0.012 64 HB3 HIS 10 HB2 HIS 10 7.347 -8.327 -1.193 65 HD2 HIS 10 HD2 HIS 10 8.302 -10.774 -0.189 66 HE1 HIS 10 HE1 HIS 10 8.309 -9.662 3.880 67 HE2 HIS 10 HE2 HIS 10 8.572 -11.595 2.267 68 H LEU 11 H LEU 11 9.930 -4.954 0.151 69 HA LEU 11 HA LEU 11 8.160 -3.203 -1.282 70 HB2 LEU 11 HB3 LEU 11 9.447 -2.746 0.883 71 HB3 LEU 11 HB2 LEU 11 10.849 -2.451 -0.136 72 HG LEU 11 HG LEU 11 8.373 -1.029 -0.952 73 HD11 LEU 11 HD11 LEU 11 8.999 0.774 0.834 74 HD12 LEU 11 HD12 LEU 11 9.701 -0.587 1.707 75 HD13 LEU 11 HD13 LEU 11 7.984 -0.586 1.309 76 HD21 LEU 11 HD21 LEU 11 10.662 -0.756 -1.985 77 HD22 LEU 11 HD22 LEU 11 11.201 -0.047 -0.463 78 HD23 LEU 11 HD23 LEU 11 9.949 0.753 -1.415 79 H ASP 12 H ASP 12 11.254 -4.624 -2.043 80 HA ASP 12 HA ASP 12 11.722 -2.793 -4.303 81 HB2 ASP 12 HB3 ASP 12 13.652 -3.653 -3.064 82 HB3 ASP 12 HB2 ASP 12 13.156 -5.310 -3.410 83 H SER 13 H SER 13 10.166 -5.817 -3.689 84 HA SER 13 HA SER 13 10.301 -6.779 -6.444 85 HB2 SER 13 HB3 SER 13 10.044 -8.270 -4.422 86 HB3 SER 13 HB2 SER 13 8.408 -7.646 -4.243 87 HG SER 13 HG SER 13 8.682 -9.643 -5.507 88 H ILE 14 H ILE 14 8.240 -4.644 -4.634 89 HA ILE 14 HA ILE 14 5.995 -4.888 -6.533 90 HB ILE 14 HB ILE 14 5.026 -3.040 -5.165 91 HG12 ILE 14 HG13 ILE 14 7.448 -3.378 -3.397 92 HG13 ILE 14 HG12 ILE 14 7.359 -2.105 -4.610 93 HG21 ILE 14 HG21 ILE 14 4.941 -5.561 -4.585 94 HG22 ILE 14 HG22 ILE 14 4.554 -4.424 -3.295 95 HG23 ILE 14 HG23 ILE 14 6.145 -5.182 -3.356 96 HD11 ILE 14 HD11 ILE 14 6.497 -1.736 -2.091 97 HD12 ILE 14 HD12 ILE 14 5.014 -2.382 -2.792 98 HD13 ILE 14 HD13 ILE 14 5.751 -0.930 -3.469 99 H GLY 15 H GLY 15 8.945 -3.175 -6.396 100 HA2 GLY 15 HA3 GLY 15 9.787 -1.382 -7.661 101 HA3 GLY 15 HA2 GLY 15 8.594 -1.860 -8.869 102 H GLU 16 H GLU 16 8.749 0.676 -9.033 103 HA GLU 16 HA GLU 16 6.927 1.966 -7.055 104 HB2 GLU 16 HB3 GLU 16 8.977 3.195 -7.373 105 HB3 GLU 16 HB2 GLU 16 8.831 3.095 -9.126 106 HG2 GLU 16 HG3 GLU 16 8.155 5.324 -8.049 107 HG3 GLU 16 HG2 GLU 16 6.989 4.615 -9.165 108 H VAL 17 H VAL 17 4.865 1.398 -7.778 109 HA VAL 17 HA VAL 17 4.086 1.273 -10.533 110 HB VAL 17 HB VAL 17 1.791 1.269 -9.695 111 HG11 VAL 17 HG11 VAL 17 2.990 -0.810 -9.395 112 HG12 VAL 17 HG12 VAL 17 2.031 -0.529 -7.941 113 HG13 VAL 17 HG13 VAL 17 3.765 -0.206 -7.930 114 HG21 VAL 17 HG21 VAL 17 1.444 1.620 -7.209 115 HG22 VAL 17 HG22 VAL 17 1.872 3.078 -8.101 116 HG23 VAL 17 HG23 VAL 17 3.091 2.246 -7.136 117 H THR 18 H THR 18 1.930 2.913 -10.931 118 HA THR 18 HA THR 18 3.190 5.452 -11.499 119 HB THR 18 HB THR 18 0.397 5.812 -11.644 120 HG1 THR 18 HG1 THR 18 -0.191 3.876 -12.744 121 HG21 THR 18 HG21 THR 18 1.979 6.560 -13.334 122 HG22 THR 18 HG22 THR 18 0.797 5.494 -14.092 123 HG23 THR 18 HG23 THR 18 2.413 4.894 -13.715 124 H LYS 19 H LYS 19 3.306 7.232 -10.240 125 HA LYS 19 HA LYS 19 2.630 7.236 -7.485 126 HB2 LYS 19 HB3 LYS 19 2.634 9.858 -7.939 127 HB3 LYS 19 HB2 LYS 19 4.133 8.935 -8.026 128 HG2 LYS 19 HG3 LYS 19 2.803 8.789 -10.588 129 HG3 LYS 19 HG2 LYS 19 2.906 10.467 -10.097 130 HD2 LYS 19 HD3 LYS 19 4.932 9.971 -11.295 131 HD3 LYS 19 HD2 LYS 19 5.369 10.061 -9.590 132 HE2 LYS 19 HE3 LYS 19 6.424 8.071 -10.289 133 HE3 LYS 19 HE2 LYS 19 4.921 7.485 -9.584 134 HZ1 LYS 19 HZ1 LYS 19 5.266 6.454 -11.705 135 HZ2 LYS 19 HZ2 LYS 19 5.454 7.962 -12.465 136 HZ3 LYS 19 HZ3 LYS 19 3.945 7.512 -11.824 137 H GLU 20 H GLU 20 1.014 8.993 -10.131 138 HA GLU 20 HA GLU 20 -1.270 9.882 -8.909 139 HB2 GLU 20 HB3 GLU 20 -1.067 10.399 -11.174 140 HB3 GLU 20 HB2 GLU 20 -0.792 8.716 -11.621 141 HG2 GLU 20 HG3 GLU 20 -3.385 8.930 -10.368 142 HG3 GLU 20 HG2 GLU 20 -3.263 10.156 -11.624 143 H ASP 21 H ASP 21 -0.529 6.599 -9.956 144 HA ASP 21 HA ASP 21 -2.997 5.340 -9.501 145 HB2 ASP 21 HB3 ASP 21 -0.639 4.346 -10.184 146 HB3 ASP 21 HB2 ASP 21 -0.503 4.023 -8.458 147 H LEU 22 H LEU 22 -0.502 6.273 -7.168 148 HA LEU 22 HA LEU 22 -1.978 5.298 -4.868 149 HB2 LEU 22 HB3 LEU 22 0.370 7.172 -5.198 150 HB3 LEU 22 HB2 LEU 22 -0.345 6.844 -3.620 151 HG LEU 22 HG LEU 22 0.116 4.467 -3.850 152 HD11 LEU 22 HD11 LEU 22 0.943 5.285 -6.635 153 HD12 LEU 22 HD12 LEU 22 -0.178 4.013 -6.150 154 HD13 LEU 22 HD13 LEU 22 1.554 3.802 -5.900 155 HD21 LEU 22 HD21 LEU 22 2.663 4.612 -4.127 156 HD22 LEU 22 HD22 LEU 22 1.952 5.672 -2.912 157 HD23 LEU 22 HD23 LEU 22 2.422 6.321 -4.483 158 H LEU 23 H LEU 23 -2.010 8.099 -6.831 159 HA LEU 23 HA LEU 23 -3.348 9.817 -4.883 160 HB2 LEU 23 HB3 LEU 23 -3.074 10.110 -7.895 161 HB3 LEU 23 HB2 LEU 23 -3.461 11.392 -6.770 162 HG LEU 23 HG LEU 23 -0.849 9.854 -6.958 163 HD11 LEU 23 HD11 LEU 23 0.051 11.783 -7.838 164 HD12 LEU 23 HD12 LEU 23 -1.009 12.839 -6.906 165 HD13 LEU 23 HD13 LEU 23 -1.612 12.050 -8.363 166 HD21 LEU 23 HD21 LEU 23 -1.112 10.104 -4.630 167 HD22 LEU 23 HD22 LEU 23 -1.954 11.646 -4.788 168 HD23 LEU 23 HD23 LEU 23 -0.218 11.556 -5.076 169 H LEU 24 H LEU 24 -4.428 8.291 -7.990 170 HA LEU 24 HA LEU 24 -7.181 8.867 -7.503 171 HB2 LEU 24 HB3 LEU 24 -7.714 7.068 -9.078 172 HB3 LEU 24 HB2 LEU 24 -6.421 8.090 -9.716 173 HG LEU 24 HG LEU 24 -4.960 6.193 -8.395 174 HD11 LEU 24 HD11 LEU 24 -7.277 4.696 -9.651 175 HD12 LEU 24 HD12 LEU 24 -7.136 4.955 -7.914 176 HD13 LEU 24 HD13 LEU 24 -5.915 4.012 -8.766 177 HD21 LEU 24 HD21 LEU 24 -4.398 6.772 -10.618 178 HD22 LEU 24 HD22 LEU 24 -5.996 6.349 -11.227 179 HD23 LEU 24 HD23 LEU 24 -4.874 5.079 -10.745 180 H LYS 25 H LYS 25 -5.138 6.068 -6.603 181 HA LYS 25 HA LYS 25 -7.114 4.450 -5.432 182 HB2 LYS 25 HB3 LYS 25 -4.246 5.024 -4.669 183 HB3 LYS 25 HB2 LYS 25 -5.232 3.934 -3.697 184 HG2 LYS 25 HG3 LYS 25 -5.540 2.420 -5.508 185 HG3 LYS 25 HG2 LYS 25 -4.984 3.602 -6.688 186 HD2 LYS 25 HD3 LYS 25 -2.722 3.401 -5.989 187 HD3 LYS 25 HD2 LYS 25 -3.173 2.589 -4.495 188 HE2 LYS 25 HE3 LYS 25 -2.293 1.254 -6.680 189 HE3 LYS 25 HE2 LYS 25 -3.415 0.547 -5.520 190 HZ1 LYS 25 HZ1 LYS 25 -5.021 0.518 -7.031 191 HZ2 LYS 25 HZ2 LYS 25 -3.850 0.914 -8.197 192 HZ3 LYS 25 HZ3 LYS 25 -4.766 2.138 -7.460 193 H SER 26 H SER 26 -5.432 7.270 -4.114 194 HA SER 26 HA SER 26 -6.847 7.326 -1.595 195 HB2 SER 26 HB3 SER 26 -4.610 8.519 -2.353 196 HB3 SER 26 HB2 SER 26 -5.693 9.772 -2.926 197 HG SER 26 HG SER 26 -6.574 9.183 -0.564 198 H LYS 27 H LYS 27 -8.191 7.440 -4.503 199 HA LYS 27 HA LYS 27 -9.511 9.847 -4.878 200 HB2 LYS 27 HB3 LYS 27 -11.510 8.362 -5.673 201 HB3 LYS 27 HB2 LYS 27 -9.984 8.301 -6.545 202 HG2 LYS 27 HG3 LYS 27 -9.551 6.152 -5.916 203 HG3 LYS 27 HG2 LYS 27 -10.206 6.386 -4.289 204 HD2 LYS 27 HD3 LYS 27 -11.629 4.832 -5.513 205 HD3 LYS 27 HD2 LYS 27 -12.510 6.344 -5.285 206 HE2 LYS 27 HE3 LYS 27 -11.876 7.066 -7.555 207 HE3 LYS 27 HE2 LYS 27 -10.972 5.570 -7.784 208 HZ1 LYS 27 HZ1 LYS 27 -13.061 4.348 -7.398 209 HZ2 LYS 27 HZ2 LYS 27 -13.126 5.347 -8.772 210 HZ3 LYS 27 HZ3 LYS 27 -13.895 5.823 -7.334 211 H GLY 28 H GLY 28 -10.701 7.208 -2.690 212 HA2 GLY 28 HA3 GLY 28 -11.463 8.523 -0.532 213 HA3 GLY 28 HA2 GLY 28 -12.646 9.192 -1.639 214 H THR 29 H THR 29 -11.971 5.997 -2.527 215 HA THR 29 HA THR 29 -13.797 4.788 -0.590 216 HB THR 29 HB THR 29 -15.100 4.236 -3.008 217 HG1 THR 29 HG1 THR 29 -14.358 5.942 -4.078 218 HG21 THR 29 HG21 THR 29 -16.060 4.544 -0.693 219 HG22 THR 29 HG22 THR 29 -16.981 5.329 -1.974 220 HG23 THR 29 HG23 THR 29 -15.917 6.283 -0.941 221 H CYS 30 H CYS 30 -13.860 2.529 -0.723 222 HA CYS 30 HA CYS 30 -11.615 1.164 -1.887 223 HB2 CYS 30 HB3 CYS 30 -12.896 0.274 0.061 224 HB3 CYS 30 HB2 CYS 30 -14.285 0.018 -0.992 225 H GLN 31 H GLN 31 -11.498 0.034 -3.896 226 HA GLN 31 HA GLN 31 -13.482 0.873 -5.872 227 HB2 GLN 31 HB3 GLN 31 -12.097 -0.439 -7.469 228 HB3 GLN 31 HB2 GLN 31 -11.174 0.769 -6.584 229 HG2 GLN 31 HG3 GLN 31 -9.821 -1.163 -6.487 230 HG3 GLN 31 HG2 GLN 31 -10.633 -1.149 -4.930 231 HE21 GLN 31 HE21 GLN 31 -10.098 -3.591 -5.101 232 HE22 GLN 31 HE22 GLN 31 -11.228 -4.574 -5.899 233 H SER 32 H SER 32 -13.197 -1.771 -3.745 234 HA SER 32 HA SER 32 -15.079 -3.375 -5.439 235 HB2 SER 32 HB3 SER 32 -13.101 -4.214 -3.312 236 HB3 SER 32 HB2 SER 32 -14.373 -5.280 -3.902 237 HG SER 32 HG SER 32 -13.521 -4.990 -6.003 238 H CYS 33 H CYS 33 -14.805 -1.491 -2.600 239 HA CYS 33 HA CYS 33 -17.423 -2.590 -1.637 240 HB2 CYS 33 HB3 CYS 33 -15.237 -1.439 0.118 241 HB3 CYS 33 HB2 CYS 33 -16.743 -2.166 0.652 242 H GLY 34 H GLY 34 -15.518 0.226 -2.449 243 HA2 GLY 34 HA3 GLY 34 -16.106 2.506 -2.446 244 HA3 GLY 34 HA2 GLY 34 -17.752 1.933 -2.719 245 H VAL 35 H VAL 35 -15.382 2.151 -0.067 246 HA VAL 35 HA VAL 35 -17.633 2.523 1.839 247 HB VAL 35 HB VAL 35 -16.031 1.902 3.571 248 HG11 VAL 35 HG11 VAL 35 -15.195 -0.324 2.278 249 HG12 VAL 35 HG12 VAL 35 -16.402 0.238 1.123 250 HG13 VAL 35 HG13 VAL 35 -16.867 -0.092 2.790 251 HG21 VAL 35 HG21 VAL 35 -14.062 2.119 1.283 252 HG22 VAL 35 HG22 VAL 35 -13.703 1.196 2.740 253 HG23 VAL 35 HG23 VAL 35 -14.006 2.925 2.851 254 H THR 36 H THR 36 -14.408 4.021 1.143 255 HA THR 36 HA THR 36 -15.208 6.677 1.283 256 HB THR 36 HB THR 36 -14.191 6.777 3.898 257 HG1 THR 36 HG1 THR 36 -15.341 5.298 5.035 258 HG21 THR 36 HG21 THR 36 -16.718 7.199 4.427 259 HG22 THR 36 HG22 THR 36 -16.927 7.066 2.682 260 HG23 THR 36 HG23 THR 36 -15.868 8.306 3.351 261 H GLY 37 H GLY 37 -13.232 8.062 2.385 262 HA2 GLY 37 HA3 GLY 37 -10.822 6.972 1.069 263 HA3 GLY 37 HA2 GLY 37 -11.044 8.627 1.591 264 HA PRO 38 HA PRO 38 -9.110 8.205 5.475 265 HB2 PRO 38 HB3 PRO 38 -11.604 7.820 7.028 266 HB3 PRO 38 HB2 PRO 38 -10.332 9.033 7.230 267 HG2 PRO 38 HG3 PRO 38 -12.750 9.597 6.148 268 HG3 PRO 38 HG2 PRO 38 -11.266 10.468 5.734 269 HD2 PRO 38 HD3 PRO 38 -12.807 8.537 4.106 270 HD3 PRO 38 HD2 PRO 38 -11.652 9.779 3.583 271 H ASN 39 H ASN 39 -8.133 6.508 6.422 272 HA ASN 39 HA ASN 39 -7.676 4.342 7.136 273 HB2 ASN 39 HB3 ASN 39 -10.588 4.639 7.672 274 HB3 ASN 39 HB2 ASN 39 -9.978 2.987 7.615 275 HD21 ASN 39 HD21 ASN 39 -10.075 2.615 9.909 276 HD22 ASN 39 HD22 ASN 39 -9.087 3.447 11.009 277 H LEU 40 H LEU 40 -7.950 4.930 4.288 278 HA LEU 40 HA LEU 40 -9.212 2.493 3.186 279 HB2 LEU 40 HB3 LEU 40 -8.035 4.991 2.039 280 HB3 LEU 40 HB2 LEU 40 -7.959 3.550 1.042 281 HG LEU 40 HG LEU 40 -10.426 4.955 2.100 282 HD11 LEU 40 HD11 LEU 40 -10.951 5.145 -0.266 283 HD12 LEU 40 HD12 LEU 40 -9.610 4.091 -0.689 284 HD13 LEU 40 HD13 LEU 40 -9.291 5.694 -0.035 285 HD21 LEU 40 HD21 LEU 40 -10.059 2.120 1.160 286 HD22 LEU 40 HD22 LEU 40 -11.512 2.982 0.660 287 HD23 LEU 40 HD23 LEU 40 -11.172 2.758 2.373 288 H TRP 41 H TRP 41 -7.712 1.371 1.451 289 HA TRP 41 HA TRP 41 -4.878 1.327 2.085 290 HB2 TRP 41 HB3 TRP 41 -6.596 -0.356 3.624 291 HB3 TRP 41 HB2 TRP 41 -5.697 -1.393 2.522 292 HD1 TRP 41 HD TRP 41 -2.930 -0.227 2.366 293 HE1 TRP 41 HE1 TRP 41 -1.388 0.002 4.419 294 HE3 TRP 41 HE3 TRP 41 -6.406 -0.348 6.104 295 HZ2 TRP 41 HZ2 TRP 41 -1.602 0.119 7.271 296 HZ3 TRP 41 HZ3 TRP 41 -5.712 -0.177 8.475 297 HH2 TRP 41 HH2 TRP 41 -3.315 0.056 9.063 298 H ALA 42 H ALA 42 -4.575 1.582 -0.137 299 HA ALA 42 HA ALA 42 -5.819 -0.358 -1.968 300 HB1 ALA 42 HB1 ALA 42 -3.973 1.990 -2.464 301 HB2 ALA 42 HB2 ALA 42 -5.727 1.989 -2.647 302 HB3 ALA 42 HB3 ALA 42 -4.729 1.018 -3.726 303 H CYS 43 H CYS 43 -4.722 -1.945 -3.060 304 HA CYS 43 HA CYS 43 -2.367 -3.074 -1.939 305 HB2 CYS 43 HB3 CYS 43 -4.065 -4.228 -3.435 306 HB3 CYS 43 HB2 CYS 43 -3.297 -3.416 -4.800 307 H LEU 44 H LEU 44 -0.174 -3.073 -2.781 308 HA LEU 44 HA LEU 44 0.399 -0.870 -4.712 309 HB2 LEU 44 HB3 LEU 44 0.722 -0.190 -2.286 310 HB3 LEU 44 HB2 LEU 44 2.028 -1.369 -2.220 311 HG LEU 44 HG LEU 44 2.945 -0.151 -4.333 312 HD11 LEU 44 HD11 LEU 44 0.930 1.835 -3.269 313 HD12 LEU 44 HD12 LEU 44 1.110 1.252 -4.922 314 HD13 LEU 44 HD13 LEU 44 2.321 2.327 -4.230 315 HD21 LEU 44 HD21 LEU 44 4.074 1.536 -2.890 316 HD22 LEU 44 HD22 LEU 44 4.044 -0.064 -2.150 317 HD23 LEU 44 HD23 LEU 44 2.917 1.180 -1.609 318 H GLN 45 H GLN 45 0.392 -3.532 -5.566 319 HA GLN 45 HA GLN 45 3.245 -4.362 -5.455 320 HB2 GLN 45 HB3 GLN 45 1.130 -5.846 -6.989 321 HB3 GLN 45 HB2 GLN 45 2.614 -6.461 -6.258 322 HG2 GLN 45 HG3 GLN 45 0.877 -5.257 -4.246 323 HG3 GLN 45 HG2 GLN 45 0.051 -6.538 -5.129 324 HE21 GLN 45 HE21 GLN 45 1.776 -6.144 -2.381 325 HE22 GLN 45 HE22 GLN 45 2.580 -7.636 -2.299 326 H VAL 46 H VAL 46 4.498 -4.534 -7.317 327 HA VAL 46 HA VAL 46 4.558 -2.540 -9.178 328 HB VAL 46 HB VAL 46 6.243 -4.409 -8.889 329 HG11 VAL 46 HG11 VAL 46 5.973 -6.447 -10.079 330 HG12 VAL 46 HG12 VAL 46 4.594 -5.826 -10.986 331 HG13 VAL 46 HG13 VAL 46 4.428 -6.190 -9.268 332 HG21 VAL 46 HG21 VAL 46 5.443 -3.800 -11.750 333 HG22 VAL 46 HG22 VAL 46 7.055 -4.225 -11.175 334 HG23 VAL 46 HG23 VAL 46 6.331 -2.685 -10.712 335 H ALA 47 H ALA 47 2.198 -5.128 -9.218 336 HA ALA 47 HA ALA 47 1.050 -3.883 -11.659 337 HB1 ALA 47 HB1 ALA 47 0.756 -6.103 -12.733 338 HB2 ALA 47 HB2 ALA 47 1.698 -6.834 -11.433 339 HB3 ALA 47 HB3 ALA 47 2.456 -5.679 -12.531 340 H CYS 48 H CYS 48 -0.130 -3.526 -9.240 341 HA CYS 48 HA CYS 48 -2.584 -5.172 -9.536 342 HB2 CYS 48 HB3 CYS 48 -1.019 -6.103 -7.712 343 HB3 CYS 48 HB2 CYS 48 -1.434 -4.653 -6.800 344 HA PRO 49 HA PRO 49 -3.512 -0.733 -8.758 345 HB2 PRO 49 HB3 PRO 49 -4.984 -0.251 -10.971 346 HB3 PRO 49 HB2 PRO 49 -3.210 -0.258 -11.013 347 HG2 PRO 49 HG3 PRO 49 -5.131 -2.320 -11.949 348 HG3 PRO 49 HG2 PRO 49 -3.559 -1.853 -12.616 349 HD2 PRO 49 HD3 PRO 49 -4.043 -4.087 -10.966 350 HD3 PRO 49 HD2 PRO 49 -2.447 -3.394 -11.332 351 H TYR 50 H TYR 50 -4.939 -1.081 -7.031 352 HA TYR 50 HA TYR 50 -7.773 -1.016 -7.582 353 HB2 TYR 50 HB3 TYR 50 -6.549 -3.575 -6.512 354 HB3 TYR 50 HB2 TYR 50 -8.238 -3.153 -6.237 355 HD1 TYR 50 HD1 TYR 50 -9.607 -2.465 -8.386 356 HD2 TYR 50 HD2 TYR 50 -5.973 -4.755 -8.448 357 HE1 TYR 50 HE1 TYR 50 -10.190 -3.329 -10.635 358 HE2 TYR 50 HE2 TYR 50 -6.556 -5.619 -10.697 359 HH TYR 50 HH TYR 50 -7.927 -5.321 -12.480 360 H VAL 51 H VAL 51 -8.690 0.069 -5.829 361 HA VAL 51 HA VAL 51 -6.950 0.350 -3.440 362 HB VAL 51 HB VAL 51 -7.446 2.485 -4.265 363 HG11 VAL 51 HG11 VAL 51 -10.330 1.578 -4.528 364 HG12 VAL 51 HG12 VAL 51 -9.195 1.801 -5.858 365 HG13 VAL 51 HG13 VAL 51 -9.728 3.190 -4.912 366 HG21 VAL 51 HG21 VAL 51 -8.154 1.883 -1.760 367 HG22 VAL 51 HG22 VAL 51 -9.747 2.340 -2.362 368 HG23 VAL 51 HG23 VAL 51 -8.414 3.491 -2.435 369 H GLY 52 H GLY 52 -7.402 -1.196 -1.991 370 HA2 GLY 52 HA3 GLY 52 -10.136 -2.188 -1.652 371 HA3 GLY 52 HA2 GLY 52 -8.709 -2.780 -0.812 372 H CYS 53 H CYS 53 -10.483 -2.624 0.956 373 HA CYS 53 HA CYS 53 -10.744 0.109 2.089 374 HB2 CYS 53 HB3 CYS 53 -11.957 -1.563 3.885 375 HB3 CYS 53 HB2 CYS 53 -12.811 -0.808 2.565 376 H GLY 54 H GLY 54 -10.624 0.123 4.475 377 HA2 GLY 54 HA3 GLY 54 -8.328 -1.488 5.515 378 HA3 GLY 54 HA2 GLY 54 -8.619 0.203 5.990 379 H GLU 55 H GLU 55 -8.763 -2.021 7.886 380 HA GLU 55 HA GLU 55 -11.011 -3.289 8.545 381 HB2 GLU 55 HB3 GLU 55 -10.825 -2.665 10.842 382 HB3 GLU 55 HB2 GLU 55 -9.192 -2.627 10.185 383 HG2 GLU 55 HG3 GLU 55 -9.619 -0.128 9.733 384 HG3 GLU 55 HG2 GLU 55 -11.003 -0.298 10.813 385 H SER 56 H SER 56 -10.837 0.191 8.314 386 HA SER 56 HA SER 56 -13.144 1.249 9.226 387 HB2 SER 56 HB3 SER 56 -11.573 1.637 6.794 388 HB3 SER 56 HB2 SER 56 -13.260 2.042 6.549 389 HG SER 56 HG SER 56 -12.769 3.067 8.831 390 H PHE 57 H PHE 57 -12.944 -0.950 6.432 391 HA PHE 57 HA PHE 57 -15.914 -1.339 6.649 392 HB2 PHE 57 HB3 PHE 57 -15.311 -0.294 4.529 393 HB3 PHE 57 HB2 PHE 57 -14.170 -1.572 4.197 394 HD1 PHE 57 HD1 PHE 57 -14.893 -3.346 2.856 395 HD2 PHE 57 HD2 PHE 57 -17.761 -1.178 5.206 396 HE1 PHE 57 HE1 PHE 57 -16.717 -4.724 1.899 397 HE2 PHE 57 HE2 PHE 57 -19.586 -2.556 4.248 398 HZ PHE 57 HZ PHE 57 -19.064 -4.330 2.596 399 H ALA 58 H ALA 58 -13.823 -3.187 4.616 400 HA ALA 58 HA ALA 58 -14.129 -5.551 6.443 401 HB1 ALA 58 HB1 ALA 58 -13.967 -5.641 3.418 402 HB2 ALA 58 HB2 ALA 58 -15.495 -5.622 4.298 403 HB3 ALA 58 HB3 ALA 58 -14.373 -6.965 4.510 404 H ASP 59 H ASP 59 -12.014 -3.377 5.206 405 HA ASP 59 HA ASP 59 -9.702 -3.330 4.925 406 HB2 ASP 59 HB3 ASP 59 -9.645 -4.019 7.228 407 HB3 ASP 59 HB2 ASP 59 -9.976 -5.688 6.803 408 H HIS 60 H HIS 60 -10.553 -4.198 2.612 409 HA HIS 60 HA HIS 60 -10.149 -6.848 1.767 410 HB2 HIS 60 HB3 HIS 60 -9.996 -4.204 0.490 411 HB3 HIS 60 HB2 HIS 60 -8.940 -5.376 -0.268 412 HD2 HIS 60 HD2 HIS 60 -10.537 -7.948 -0.757 413 HE1 HIS 60 HE1 HIS 60 -13.963 -5.675 -1.696 414 HE2 HIS 60 HE2 HIS 60 -12.895 -7.965 -1.859 415 H SER 61 H SER 61 -7.942 -4.439 2.855 416 HA SER 61 HA SER 61 -5.450 -5.165 1.904 417 HB2 SER 61 HB3 SER 61 -6.256 -3.498 3.814 418 HB3 SER 61 HB2 SER 61 -5.730 -4.803 4.866 419 HG SER 61 HG SER 61 -4.268 -3.037 3.404 420 H THR 62 H THR 62 -7.455 -6.983 4.168 421 HA THR 62 HA THR 62 -5.269 -8.878 4.703 422 HB THR 62 HB THR 62 -7.272 -10.078 5.885 423 HG1 THR 62 HG1 THR 62 -8.231 -7.522 5.232 424 HG21 THR 62 HG21 THR 62 -7.015 -8.306 7.798 425 HG22 THR 62 HG22 THR 62 -5.828 -7.576 6.716 426 HG23 THR 62 HG23 THR 62 -5.601 -9.229 7.287 427 H ILE 63 H ILE 63 -8.663 -9.350 3.622 428 HA ILE 63 HA ILE 63 -8.176 -11.923 2.605 429 HB ILE 63 HB ILE 63 -10.190 -11.508 1.119 430 HG12 ILE 63 HG13 ILE 63 -10.375 -8.944 2.705 431 HG13 ILE 63 HG12 ILE 63 -9.672 -9.009 1.090 432 HG21 ILE 63 HG21 ILE 63 -10.386 -12.510 3.358 433 HG22 ILE 63 HG22 ILE 63 -11.737 -11.415 3.065 434 HG23 ILE 63 HG23 ILE 63 -10.396 -10.905 4.090 435 HD11 ILE 63 HD11 ILE 63 -12.419 -10.110 1.692 436 HD12 ILE 63 HD12 ILE 63 -11.720 -9.749 0.115 437 HD13 ILE 63 HD13 ILE 63 -12.166 -8.435 1.204 438 H HIS 64 H HIS 64 -7.736 -8.784 1.157 439 HA HIS 64 HA HIS 64 -7.238 -9.726 -1.529 440 HB2 HIS 64 HB3 HIS 64 -7.831 -7.363 -1.063 441 HB3 HIS 64 HB2 HIS 64 -6.300 -7.162 -0.206 442 HD1 HIS 64 HD1 HIS 64 -7.763 -7.057 -3.564 443 HD2 HIS 64 HD2 HIS 64 -3.961 -7.612 -1.946 444 HE1 HIS 64 HE1 HIS 64 -6.120 -6.738 -5.466 445 H ALA 65 H ALA 65 -5.151 -8.968 1.263 446 HA ALA 65 HA ALA 65 -2.707 -9.633 -0.221 447 HB1 ALA 65 HB1 ALA 65 -3.289 -9.227 2.733 448 HB2 ALA 65 HB2 ALA 65 -2.500 -8.087 1.642 449 HB3 ALA 65 HB3 ALA 65 -1.680 -9.581 2.102 450 H GLN 66 H GLN 66 -5.176 -11.175 1.443 451 HA GLN 66 HA GLN 66 -3.807 -13.645 2.165 452 HB2 GLN 66 HB3 GLN 66 -5.619 -12.832 3.513 453 HB3 GLN 66 HB2 GLN 66 -6.626 -12.633 2.107 454 HG2 GLN 66 HG3 GLN 66 -7.535 -14.589 2.758 455 HG3 GLN 66 HG2 GLN 66 -6.150 -15.293 1.922 456 HE21 GLN 66 HE21 GLN 66 -5.142 -16.849 3.198 457 HE22 GLN 66 HE22 GLN 66 -4.986 -16.779 4.887 458 H ALA 67 H ALA 67 -5.971 -12.526 -0.426 459 HA ALA 67 HA ALA 67 -6.131 -15.227 -1.572 460 HB1 ALA 67 HB1 ALA 67 -8.003 -14.476 -2.593 461 HB2 ALA 67 HB2 ALA 67 -7.179 -13.057 -3.236 462 HB3 ALA 67 HB3 ALA 67 -7.832 -13.032 -1.599 463 H LYS 68 H LYS 68 -4.795 -12.058 -2.445 464 HA LYS 68 HA LYS 68 -3.443 -13.267 -4.795 465 HB2 LYS 68 HB3 LYS 68 -3.471 -10.391 -3.837 466 HB3 LYS 68 HB2 LYS 68 -2.897 -10.975 -5.395 467 HG2 LYS 68 HG3 LYS 68 -5.028 -10.439 -6.067 468 HG3 LYS 68 HG2 LYS 68 -5.390 -12.037 -5.419 469 HD2 LYS 68 HD3 LYS 68 -6.059 -11.076 -3.286 470 HD3 LYS 68 HD2 LYS 68 -5.569 -9.473 -3.820 471 HE2 LYS 68 HE3 LYS 68 -8.095 -10.149 -3.981 472 HE3 LYS 68 HE2 LYS 68 -7.351 -9.275 -5.321 473 HZ1 LYS 68 HZ1 LYS 68 -7.247 -12.207 -5.307 474 HZ2 LYS 68 HZ2 LYS 68 -7.279 -11.133 -6.623 475 HZ3 LYS 68 HZ3 LYS 68 -8.699 -11.448 -5.744 476 H LYS 69 H LYS 69 -2.841 -13.075 -1.611 477 HA LYS 69 HA LYS 69 -0.916 -13.208 -0.308 478 HB2 LYS 69 HB3 LYS 69 -0.160 -14.310 -2.961 479 HB3 LYS 69 HB2 LYS 69 1.182 -13.862 -1.910 480 HG2 LYS 69 HG3 LYS 69 0.387 -16.249 -1.649 481 HG3 LYS 69 HG2 LYS 69 0.400 -15.310 -0.157 482 HD2 LYS 69 HD3 LYS 69 -1.902 -15.248 -0.008 483 HD3 LYS 69 HD2 LYS 69 -2.123 -15.263 -1.758 484 HE2 LYS 69 HE3 LYS 69 -1.853 -17.592 -1.898 485 HE3 LYS 69 HE2 LYS 69 -1.025 -17.685 -0.344 486 HZ1 LYS 69 HZ1 LYS 69 -3.131 -18.445 0.145 487 HZ2 LYS 69 HZ2 LYS 69 -3.899 -17.342 -0.895 488 HZ3 LYS 69 HZ3 LYS 69 -3.242 -16.809 0.579 489 H HIS 70 H HIS 70 -1.556 -10.668 -2.039 490 HA HIS 70 HA HIS 70 1.085 -9.421 -2.353 491 HB2 HIS 70 HB3 HIS 70 -1.726 -8.257 -2.345 492 HB3 HIS 70 HB2 HIS 70 -0.272 -7.336 -2.707 493 HD2 HIS 70 HD2 HIS 70 0.909 -10.180 -4.457 494 HE1 HIS 70 HE1 HIS 70 -2.101 -8.892 -7.119 495 HE2 HIS 70 HE2 HIS 70 -0.043 -10.352 -6.875 496 H ASN 71 H ASN 71 2.261 -8.802 -0.563 497 HA ASN 71 HA ASN 71 0.854 -8.520 2.013 498 HB2 ASN 71 HB3 ASN 71 3.371 -8.082 2.711 499 HB3 ASN 71 HB2 ASN 71 2.786 -9.708 2.365 500 HD21 ASN 71 HD21 ASN 71 3.852 -6.954 0.273 501 HD22 ASN 71 HD22 ASN 71 4.928 -7.888 -0.648 502 H LEU 72 H LEU 72 2.763 -6.475 -0.178 503 HA LEU 72 HA LEU 72 2.626 -4.215 1.653 504 HB2 LEU 72 HB3 LEU 72 3.557 -4.466 -1.204 505 HB3 LEU 72 HB2 LEU 72 3.665 -2.976 -0.266 506 HG LEU 72 HG LEU 72 4.746 -5.516 0.907 507 HD11 LEU 72 HD11 LEU 72 5.987 -3.868 -1.286 508 HD12 LEU 72 HD12 LEU 72 5.851 -5.621 -1.167 509 HD13 LEU 72 HD13 LEU 72 6.980 -4.752 -0.129 510 HD21 LEU 72 HD21 LEU 72 6.305 -3.918 1.970 511 HD22 LEU 72 HD22 LEU 72 4.634 -3.446 2.266 512 HD23 LEU 72 HD23 LEU 72 5.586 -2.601 1.047 513 H THR 73 H THR 73 1.283 -2.583 1.683 514 HA THR 73 HA THR 73 -0.484 -1.926 -0.574 515 HB THR 73 HB THR 73 -2.536 -2.182 0.604 516 HG1 THR 73 HG1 THR 73 -2.329 -2.892 2.912 517 HG21 THR 73 HG21 THR 73 -1.516 -4.353 -0.106 518 HG22 THR 73 HG22 THR 73 -2.601 -4.517 1.272 519 HG23 THR 73 HG23 THR 73 -0.856 -4.533 1.519 520 H VAL 74 H VAL 74 -1.447 0.301 -0.133 521 HA VAL 74 HA VAL 74 0.169 1.709 1.965 522 HB VAL 74 HB VAL 74 1.077 2.394 -0.106 523 HG11 VAL 74 HG11 VAL 74 -0.656 1.498 -1.581 524 HG12 VAL 74 HG12 VAL 74 -0.393 3.197 -1.968 525 HG13 VAL 74 HG13 VAL 74 -1.801 2.716 -1.027 526 HG21 VAL 74 HG21 VAL 74 -1.020 4.514 0.414 527 HG22 VAL 74 HG22 VAL 74 0.646 4.734 -0.115 528 HG23 VAL 74 HG23 VAL 74 0.306 4.225 1.538 529 H ASN 75 H ASN 75 -0.956 2.709 3.477 530 HA ASN 75 HA ASN 75 -3.865 2.926 3.279 531 HB2 ASN 75 HB3 ASN 75 -2.375 2.425 5.391 532 HB3 ASN 75 HB2 ASN 75 -2.230 4.180 5.473 533 HD21 ASN 75 HD21 ASN 75 -3.732 2.312 7.315 534 HD22 ASN 75 HD22 ASN 75 -5.334 2.875 7.307 535 H LEU 76 H LEU 76 -4.396 4.486 1.770 536 HA LEU 76 HA LEU 76 -2.986 6.985 1.489 537 HB2 LEU 76 HB3 LEU 76 -5.847 6.458 0.679 538 HB3 LEU 76 HB2 LEU 76 -4.696 7.565 -0.062 539 HG LEU 76 HG LEU 76 -3.586 4.884 0.008 540 HD11 LEU 76 HD11 LEU 76 -5.115 3.710 -1.404 541 HD12 LEU 76 HD12 LEU 76 -6.148 5.126 -1.572 542 HD13 LEU 76 HD13 LEU 76 -6.037 4.294 -0.022 543 HD21 LEU 76 HD21 LEU 76 -2.995 5.343 -2.196 544 HD22 LEU 76 HD22 LEU 76 -3.123 6.963 -1.519 545 HD23 LEU 76 HD23 LEU 76 -4.437 6.305 -2.491 546 H THR 77 H THR 77 -4.356 6.040 4.140 547 HA THR 77 HA THR 77 -6.021 8.426 4.710 548 HB THR 77 HB THR 77 -5.271 6.052 6.445 549 HG1 THR 77 HG1 THR 77 -7.543 6.675 4.882 550 HG21 THR 77 HG21 THR 77 -7.191 6.863 7.833 551 HG22 THR 77 HG22 THR 77 -7.264 8.303 6.818 552 HG23 THR 77 HG23 THR 77 -5.833 7.987 7.798 553 H THR 78 H THR 78 -3.027 6.843 5.700 554 HA THR 78 HA THR 78 -2.210 9.369 7.082 555 HB THR 78 HB THR 78 -1.116 6.602 7.610 556 HG1 THR 78 HG1 THR 78 -3.381 6.816 8.088 557 HG21 THR 78 HG21 THR 78 0.358 8.376 8.332 558 HG22 THR 78 HG22 THR 78 -0.434 7.716 9.762 559 HG23 THR 78 HG23 THR 78 -0.981 9.248 9.079 560 H PHE 79 H PHE 79 -1.504 7.261 4.488 561 HA PHE 79 HA PHE 79 0.101 7.553 2.793 562 HB2 PHE 79 HB3 PHE 79 0.097 10.016 3.867 563 HB3 PHE 79 HB2 PHE 79 1.713 9.516 4.362 564 HD1 PHE 79 HD1 PHE 79 3.415 8.897 2.669 565 HD2 PHE 79 HD2 PHE 79 -0.458 10.372 1.543 566 HE1 PHE 79 HE1 PHE 79 4.247 9.325 0.373 567 HE2 PHE 79 HE2 PHE 79 0.373 10.801 -0.754 568 HZ PHE 79 HZ PHE 79 2.726 10.277 -1.339 569 H ARG 80 H ARG 80 0.367 5.429 4.368 570 HA ARG 80 HA ARG 80 3.308 5.115 4.557 571 HB2 ARG 80 HB3 ARG 80 2.509 3.577 6.679 572 HB3 ARG 80 HB2 ARG 80 3.211 5.181 6.835 573 HG2 ARG 80 HG3 ARG 80 1.146 6.184 7.256 574 HG3 ARG 80 HG2 ARG 80 0.245 4.926 6.407 575 HD2 ARG 80 HD3 ARG 80 0.496 3.384 8.187 576 HD3 ARG 80 HD2 ARG 80 1.773 4.336 8.942 577 HE ARG 80 HE ARG 80 -0.887 5.612 8.766 578 HH11 ARG 80 HH11 ARG 80 -1.760 6.202 10.759 579 HH12 ARG 80 HH12 ARG 80 -1.010 5.643 12.218 580 HH21 ARG 80 HH21 ARG 80 1.488 3.885 10.581 581 HH22 ARG 80 HH22 ARG 80 0.825 4.335 12.116 582 H LEU 81 H LEU 81 3.572 2.538 5.075 583 HA LEU 81 HA LEU 81 1.653 1.217 3.209 584 HB2 LEU 81 HB3 LEU 81 4.583 1.180 3.379 585 HB3 LEU 81 HB2 LEU 81 3.855 -0.406 3.172 586 HG LEU 81 HG LEU 81 2.553 0.519 1.280 587 HD11 LEU 81 HD11 LEU 81 4.253 2.941 1.876 588 HD12 LEU 81 HD12 LEU 81 2.495 2.856 1.752 589 HD13 LEU 81 HD13 LEU 81 3.490 2.691 0.305 590 HD21 LEU 81 HD21 LEU 81 4.396 -0.671 0.520 591 HD22 LEU 81 HD22 LEU 81 5.545 0.415 1.302 592 HD23 LEU 81 HD23 LEU 81 4.725 0.914 -0.177 593 H TRP 82 H TRP 82 1.919 -1.294 3.517 594 HA TRP 82 HA TRP 82 2.158 -2.118 6.318 595 HB2 TRP 82 HB3 TRP 82 -0.224 -1.151 5.911 596 HB3 TRP 82 HB2 TRP 82 -0.489 -2.602 4.948 597 HD1 TRP 82 HD TRP 82 1.254 -2.078 8.378 598 HE1 TRP 82 HE1 TRP 82 0.250 -3.767 10.044 599 HE3 TRP 82 HE3 TRP 82 -2.223 -4.317 5.379 600 HZ2 TRP 82 HZ2 TRP 82 -1.762 -5.797 10.102 601 HZ3 TRP 82 HZ3 TRP 82 -3.670 -6.123 6.267 602 HH2 TRP 82 HH2 TRP 82 -3.445 -6.864 8.622 603 H CYS 83 H CYS 83 3.436 -3.874 5.963 604 HA CYS 83 HA CYS 83 3.025 -5.498 3.530 605 HB2 CYS 83 HB3 CYS 83 5.295 -4.687 4.754 606 HB3 CYS 83 HB2 CYS 83 5.074 -6.247 5.536 607 H TYR 84 H TYR 84 1.406 -7.044 3.785 608 HA TYR 84 HA TYR 84 0.815 -8.191 6.393 609 HB2 TYR 84 HB3 TYR 84 -0.691 -8.081 4.208 610 HB3 TYR 84 HB2 TYR 84 0.124 -9.596 3.812 611 HD1 TYR 84 HD1 TYR 84 -1.655 -7.918 6.657 612 HD2 TYR 84 HD2 TYR 84 -0.719 -11.604 4.659 613 HE1 TYR 84 HE1 TYR 84 -3.164 -9.140 8.201 614 HE2 TYR 84 HE2 TYR 84 -2.226 -12.824 6.204 615 HH TYR 84 HH TYR 84 -3.485 -11.403 9.049 616 H ALA 85 H ALA 85 3.455 -8.376 4.547 617 HA ALA 85 HA ALA 85 4.007 -11.245 5.058 618 HB1 ALA 85 HB1 ALA 85 5.321 -9.163 3.311 619 HB2 ALA 85 HB2 ALA 85 4.678 -10.738 2.844 620 HB3 ALA 85 HB3 ALA 85 6.175 -10.635 3.765 621 H CYS 86 H CYS 86 5.964 -8.223 5.180 622 HA CYS 86 HA CYS 86 7.520 -9.132 7.423 623 HB2 CYS 86 HB3 CYS 86 6.950 -6.266 6.573 624 HB3 CYS 86 HB2 CYS 86 8.300 -6.819 7.558 625 H GLU 87 H GLU 87 4.377 -8.139 6.938 626 HA GLU 87 HA GLU 87 2.617 -7.491 8.327 627 HB2 GLU 87 HB3 GLU 87 4.050 -9.699 9.426 628 HB3 GLU 87 HB2 GLU 87 3.501 -8.692 10.754 629 HG2 GLU 87 HG3 GLU 87 1.670 -9.528 8.505 630 HG3 GLU 87 HG2 GLU 87 1.865 -10.485 9.971 631 H LYS 88 H LYS 88 3.917 -5.326 8.070 632 HA LYS 88 HA LYS 88 3.871 -4.060 10.710 633 HB2 LYS 88 HB3 LYS 88 6.217 -3.055 10.265 634 HB3 LYS 88 HB2 LYS 88 6.144 -4.709 10.872 635 HG2 LYS 88 HG3 LYS 88 6.460 -5.608 8.661 636 HG3 LYS 88 HG2 LYS 88 6.304 -4.015 7.930 637 HD2 LYS 88 HD3 LYS 88 8.662 -4.556 8.038 638 HD3 LYS 88 HD2 LYS 88 8.336 -3.297 9.228 639 HE2 LYS 88 HE3 LYS 88 8.180 -6.183 10.059 640 HE3 LYS 88 HE2 LYS 88 9.754 -5.402 9.923 641 HZ1 LYS 88 HZ1 LYS 88 9.407 -4.425 11.860 642 HZ2 LYS 88 HZ2 LYS 88 7.896 -5.191 11.998 643 HZ3 LYS 88 HZ3 LYS 88 8.014 -3.664 11.261 644 H GLU 89 H GLU 89 4.812 -1.618 10.197 645 HA GLU 89 HA GLU 89 3.345 -0.753 7.733 646 HB2 GLU 89 HB3 GLU 89 3.018 0.014 10.408 647 HB3 GLU 89 HB2 GLU 89 3.925 1.343 9.694 648 HG2 GLU 89 HG3 GLU 89 2.238 1.828 8.135 649 HG3 GLU 89 HG2 GLU 89 1.509 0.231 8.278 650 H VAL 90 H VAL 90 4.505 0.475 6.192 651 HA VAL 90 HA VAL 90 7.171 1.505 7.075 652 HB VAL 90 HB VAL 90 7.825 0.555 4.595 653 HG11 VAL 90 HG11 VAL 90 8.983 -1.258 5.784 654 HG12 VAL 90 HG12 VAL 90 7.954 -1.005 7.194 655 HG13 VAL 90 HG13 VAL 90 9.094 0.245 6.698 656 HG21 VAL 90 HG21 VAL 90 6.832 -1.525 4.145 657 HG22 VAL 90 HG22 VAL 90 5.459 -0.557 4.673 658 HG23 VAL 90 HG23 VAL 90 6.212 -1.695 5.787 659 H PHE 91 H PHE 91 7.869 3.306 5.938 660 HA PHE 91 HA PHE 91 5.824 4.613 4.207 661 HB2 PHE 91 HB3 PHE 91 8.262 5.752 5.608 662 HB3 PHE 91 HB2 PHE 91 7.120 6.679 4.643 663 HD1 PHE 91 HD1 PHE 91 7.163 4.289 7.545 664 HD2 PHE 91 HD2 PHE 91 5.325 7.721 5.725 665 HE1 PHE 91 HE1 PHE 91 5.705 4.564 9.532 666 HE2 PHE 91 HE2 PHE 91 3.868 7.993 7.712 667 HZ PHE 91 HZ PHE 91 4.058 6.416 9.616 668 H LEU 92 H LEU 92 6.849 6.003 2.423 669 HA LEU 92 HA LEU 92 8.263 4.464 0.575 670 HB2 LEU 92 HB3 LEU 92 8.126 7.449 1.026 671 HB3 LEU 92 HB2 LEU 92 9.121 6.780 -0.265 672 HG LEU 92 HG LEU 92 6.801 7.419 -0.997 673 HD11 LEU 92 HD11 LEU 92 6.929 4.444 -1.265 674 HD12 LEU 92 HD12 LEU 92 8.304 5.374 -1.862 675 HD13 LEU 92 HD13 LEU 92 6.690 5.676 -2.501 676 HD21 LEU 92 HD21 LEU 92 5.768 6.680 1.210 677 HD22 LEU 92 HD22 LEU 92 5.929 5.021 0.635 678 HD23 LEU 92 HD23 LEU 92 4.905 6.161 -0.237 679 H GLU 93 H GLU 93 10.454 4.137 0.202 680 HA GLU 93 HA GLU 93 12.228 3.837 2.317 681 HB2 GLU 93 HB3 GLU 93 14.048 3.947 0.547 682 HB3 GLU 93 HB2 GLU 93 12.733 2.820 0.209 683 HG2 GLU 93 HG3 GLU 93 11.625 4.735 -1.090 684 HG3 GLU 93 HG2 GLU 93 13.177 5.564 -0.975 685 H GLN 94 H GLN 94 11.009 6.770 1.464 686 HA GLN 94 HA GLN 94 11.620 8.960 2.010 687 HB2 GLN 94 HB3 GLN 94 13.977 7.815 3.507 688 HB3 GLN 94 HB2 GLN 94 13.068 9.285 3.851 689 HG2 GLN 94 HG3 GLN 94 11.038 7.755 4.217 690 HG3 GLN 94 HG2 GLN 94 12.190 6.421 4.244 691 HE21 GLN 94 HE21 GLN 94 12.678 9.729 5.548 692 HE22 GLN 94 HE22 GLN 94 12.895 9.230 7.156 693 H ARG 95 H ARG 95 13.948 6.807 0.587 694 HA ARG 95 HA ARG 95 16.111 8.477 0.036 695 HB2 ARG 95 HB3 ARG 95 16.711 6.926 -1.564 696 HB3 ARG 95 HB2 ARG 95 15.473 5.994 -0.732 697 HG2 ARG 95 HG3 ARG 95 14.793 5.733 -2.934 698 HG3 ARG 95 HG2 ARG 95 13.851 7.144 -2.476 699 HD2 ARG 95 HD3 ARG 95 14.775 8.044 -4.368 700 HD3 ARG 95 HD2 ARG 95 16.159 8.341 -3.317 701 HE ARG 95 HE ARG 95 17.336 6.733 -4.561 702 HH11 ARG 95 HH11 ARG 95 17.511 5.043 -6.051 703 HH12 ARG 95 HH12 ARG 95 16.074 4.290 -6.659 704 HH21 ARG 95 HH21 ARG 95 13.926 6.297 -4.819 705 HH22 ARG 95 HH22 ARG 95 14.045 5.000 -5.961 706 H LEU 96 H LEU 96 12.892 8.542 -1.336 707 HA LEU 96 HA LEU 96 13.693 10.757 -3.166 708 HB2 LEU 96 HB3 LEU 96 11.354 10.452 -4.085 709 HB3 LEU 96 HB2 LEU 96 12.417 9.067 -4.292 710 HG LEU 96 HG LEU 96 11.199 8.655 -1.783 711 HD11 LEU 96 HD11 LEU 96 9.023 9.221 -3.795 712 HD12 LEU 96 HD12 LEU 96 9.566 10.472 -2.680 713 HD13 LEU 96 HD13 LEU 96 8.877 8.975 -2.056 714 HD21 LEU 96 HD21 LEU 96 11.798 6.960 -3.518 715 HD22 LEU 96 HD22 LEU 96 10.422 7.498 -4.478 716 HD23 LEU 96 HD23 LEU 96 10.158 6.749 -2.904 717 H ALA 97 H ALA 97 10.821 10.066 -1.151 718 HA ALA 97 HA ALA 97 10.158 12.837 -0.825 719 HB1 ALA 97 HB1 ALA 97 9.377 10.356 0.723 720 HB2 ALA 97 HB2 ALA 97 8.421 11.224 -0.479 721 HB3 ALA 97 HB3 ALA 97 8.731 11.955 1.096 722 H ALA 98 H ALA 98 12.055 13.928 -0.103 723 HA ALA 98 HA ALA 98 13.360 13.065 2.379 724 HB1 ALA 98 HB1 ALA 98 13.765 15.288 0.399 725 HB2 ALA 98 HB2 ALA 98 14.905 14.052 0.930 726 HB3 ALA 98 HB3 ALA 98 14.516 15.405 1.991 727 HA PRO 99 HA PRO 99 11.060 15.148 5.514 728 HB2 PRO 99 HB3 PRO 99 13.523 16.823 5.899 729 HB3 PRO 99 HB2 PRO 99 12.519 16.005 7.113 730 HG2 PRO 99 HG3 PRO 99 14.865 14.997 6.276 731 HG3 PRO 99 HG2 PRO 99 13.502 13.971 6.753 732 HD2 PRO 99 HD3 PRO 99 14.633 14.409 4.064 733 HD3 PRO 99 HD2 PRO 99 13.564 13.111 4.636 Start of MODEL 6 1 H1 MET 1 H1 MET 1 19.198 -6.739 -0.016 2 HA MET 1 HA MET 1 19.139 -6.233 -2.717 3 HB2 MET 1 HB3 MET 1 16.653 -7.698 -1.776 4 HB3 MET 1 HB2 MET 1 16.804 -6.822 -3.299 5 HG2 MET 1 HG3 MET 1 18.618 -8.318 -4.006 6 HG3 MET 1 HG2 MET 1 18.526 -9.175 -2.467 7 HE1 MET 1 HE1 MET 1 18.586 -10.612 -4.934 8 HE2 MET 1 HE2 MET 1 17.173 -11.645 -5.143 9 HE3 MET 1 HE3 MET 1 18.022 -11.628 -3.599 10 H GLY 2 H GLY 2 19.101 -5.306 0.198 11 HA2 GLY 2 HA3 GLY 2 17.720 -2.817 -0.271 12 HA3 GLY 2 HA2 GLY 2 16.803 -3.838 0.840 13 H ASP 3 H ASP 3 18.106 -1.306 1.491 14 HA ASP 3 HA ASP 3 19.694 -2.269 3.788 15 HB2 ASP 3 HB3 ASP 3 20.778 -0.470 1.615 16 HB3 ASP 3 HB2 ASP 3 21.447 -0.460 3.247 17 H SER 4 H SER 4 17.890 -1.447 5.003 18 HA SER 4 HA SER 4 18.151 1.209 5.944 19 HB2 SER 4 HB3 SER 4 15.610 1.592 4.784 20 HB3 SER 4 HB2 SER 4 17.100 2.428 4.357 21 HG SER 4 HG SER 4 16.714 -0.136 3.338 22 H ARG 5 H ARG 5 15.897 1.845 7.090 23 HA ARG 5 HA ARG 5 14.973 -0.655 8.446 24 HB2 ARG 5 HB3 ARG 5 14.109 1.541 9.961 25 HB3 ARG 5 HB2 ARG 5 15.499 0.517 10.316 26 HG2 ARG 5 HG3 ARG 5 16.991 1.989 9.138 27 HG3 ARG 5 HG2 ARG 5 15.646 2.916 8.473 28 HD2 ARG 5 HD3 ARG 5 15.831 2.693 11.449 29 HD3 ARG 5 HD2 ARG 5 16.978 3.755 10.633 30 HE ARG 5 HE ARG 5 14.227 4.185 9.772 31 HH11 ARG 5 HH11 ARG 5 13.330 6.174 10.360 32 HH12 ARG 5 HH12 ARG 5 14.103 7.131 11.578 33 HH21 ARG 5 HH21 ARG 5 16.673 4.861 12.104 34 HH22 ARG 5 HH22 ARG 5 15.997 6.387 12.567 35 H ASP 6 H ASP 6 13.853 2.439 7.104 36 HA ASP 6 HA ASP 6 11.045 1.849 7.465 37 HB2 ASP 6 HB3 ASP 6 12.487 4.097 6.825 38 HB3 ASP 6 HB2 ASP 6 11.795 3.676 5.259 39 H LEU 7 H LEU 7 13.415 1.140 4.983 40 HA LEU 7 HA LEU 7 11.468 0.441 2.955 41 HB2 LEU 7 HB3 LEU 7 13.282 0.201 1.594 42 HB3 LEU 7 HB2 LEU 7 14.143 0.977 2.911 43 HG LEU 7 HG LEU 7 15.412 -0.943 2.263 44 HD11 LEU 7 HD11 LEU 7 14.429 -2.415 4.514 45 HD12 LEU 7 HD12 LEU 7 14.312 -0.692 4.876 46 HD13 LEU 7 HD13 LEU 7 15.856 -1.391 4.399 47 HD21 LEU 7 HD21 LEU 7 13.519 -3.077 2.871 48 HD22 LEU 7 HD22 LEU 7 14.528 -2.841 1.448 49 HD23 LEU 7 HD23 LEU 7 12.953 -2.060 1.544 50 H CYS 8 H CYS 8 10.960 -1.730 2.233 51 HA CYS 8 HA CYS 8 11.318 -3.809 4.358 52 HB2 CYS 8 HB3 CYS 8 9.066 -3.933 4.513 53 HB3 CYS 8 HB2 CYS 8 8.882 -2.722 3.245 54 HA PRO 9 HA PRO 9 13.151 -6.543 1.437 55 HB2 PRO 9 HB3 PRO 9 11.622 -8.847 1.779 56 HB3 PRO 9 HB2 PRO 9 12.927 -8.339 2.856 57 HG2 PRO 9 HG3 PRO 9 10.004 -7.892 3.124 58 HG3 PRO 9 HG2 PRO 9 11.145 -8.429 4.359 59 HD2 PRO 9 HD3 PRO 9 10.361 -5.892 4.334 60 HD3 PRO 9 HD2 PRO 9 12.085 -6.258 4.587 61 H HIS 10 H HIS 10 9.643 -7.094 1.413 62 HA HIS 10 HA HIS 10 9.584 -7.703 -1.431 63 HB2 HIS 10 HB3 HIS 10 7.131 -6.912 0.144 64 HB3 HIS 10 HB2 HIS 10 7.289 -8.097 -1.150 65 HD2 HIS 10 HD2 HIS 10 8.123 -10.656 -0.337 66 HE1 HIS 10 HE1 HIS 10 8.400 -9.798 3.785 67 HE2 HIS 10 HE2 HIS 10 8.466 -11.641 2.049 68 H LEU 11 H LEU 11 10.122 -4.887 0.107 69 HA LEU 11 HA LEU 11 8.369 -3.057 -1.249 70 HB2 LEU 11 HB3 LEU 11 9.785 -2.615 0.821 71 HB3 LEU 11 HB2 LEU 11 11.162 -2.473 -0.264 72 HG LEU 11 HG LEU 11 8.626 -0.854 -0.625 73 HD11 LEU 11 HD11 LEU 11 11.168 0.113 0.693 74 HD12 LEU 11 HD12 LEU 11 9.785 -0.474 1.615 75 HD13 LEU 11 HD13 LEU 11 9.620 0.948 0.587 76 HD21 LEU 11 HD21 LEU 11 9.728 -0.498 -2.600 77 HD22 LEU 11 HD22 LEU 11 11.284 -1.011 -1.950 78 HD23 LEU 11 HD23 LEU 11 10.692 0.619 -1.640 79 H ASP 12 H ASP 12 11.592 -4.348 -1.981 80 HA ASP 12 HA ASP 12 11.907 -2.749 -4.389 81 HB2 ASP 12 HB3 ASP 12 13.834 -3.658 -3.111 82 HB3 ASP 12 HB2 ASP 12 13.326 -5.291 -3.547 83 H SER 13 H SER 13 10.302 -5.718 -3.612 84 HA SER 13 HA SER 13 10.353 -6.794 -6.325 85 HB2 SER 13 HB3 SER 13 10.067 -8.166 -4.206 86 HB3 SER 13 HB2 SER 13 8.435 -7.515 -4.097 87 HG SER 13 HG SER 13 9.562 -9.010 -6.235 88 H ILE 14 H ILE 14 8.283 -4.636 -4.506 89 HA ILE 14 HA ILE 14 6.083 -4.825 -6.458 90 HB ILE 14 HB ILE 14 5.116 -2.975 -5.078 91 HG12 ILE 14 HG13 ILE 14 7.436 -3.420 -3.217 92 HG13 ILE 14 HG12 ILE 14 7.487 -2.152 -4.437 93 HG21 ILE 14 HG21 ILE 14 4.540 -4.396 -3.270 94 HG22 ILE 14 HG22 ILE 14 6.119 -5.180 -3.279 95 HG23 ILE 14 HG23 ILE 14 4.963 -5.516 -4.564 96 HD11 ILE 14 HD11 ILE 14 6.595 -1.531 -2.076 97 HD12 ILE 14 HD12 ILE 14 5.135 -2.389 -2.567 98 HD13 ILE 14 HD13 ILE 14 5.680 -0.984 -3.481 99 H GLY 15 H GLY 15 9.033 -3.107 -6.197 100 HA2 GLY 15 HA3 GLY 15 9.880 -1.232 -7.343 101 HA3 GLY 15 HA2 GLY 15 8.855 -1.798 -8.663 102 H GLU 16 H GLU 16 8.923 0.774 -8.801 103 HA GLU 16 HA GLU 16 6.883 1.997 -7.027 104 HB2 GLU 16 HB3 GLU 16 8.740 3.436 -7.336 105 HB3 GLU 16 HB2 GLU 16 8.824 3.102 -9.063 106 HG2 GLU 16 HG3 GLU 16 6.309 4.326 -7.966 107 HG3 GLU 16 HG2 GLU 16 7.724 5.361 -8.164 108 H VAL 17 H VAL 17 4.815 2.297 -7.675 109 HA VAL 17 HA VAL 17 4.097 1.557 -10.465 110 HB VAL 17 HB VAL 17 2.987 0.703 -8.182 111 HG11 VAL 17 HG11 VAL 17 2.421 3.176 -7.655 112 HG12 VAL 17 HG12 VAL 17 1.160 1.968 -7.412 113 HG13 VAL 17 HG13 VAL 17 1.138 2.986 -8.850 114 HG21 VAL 17 HG21 VAL 17 0.747 0.620 -9.578 115 HG22 VAL 17 HG22 VAL 17 2.165 -0.267 -10.135 116 HG23 VAL 17 HG23 VAL 17 1.756 1.285 -10.861 117 H THR 18 H THR 18 1.808 3.059 -10.894 118 HA THR 18 HA THR 18 2.895 5.645 -11.533 119 HB THR 18 HB THR 18 0.095 5.902 -11.524 120 HG1 THR 18 HG1 THR 18 0.774 3.368 -12.553 121 HG21 THR 18 HG21 THR 18 1.672 6.595 -13.307 122 HG22 THR 18 HG22 THR 18 0.327 5.654 -13.951 123 HG23 THR 18 HG23 THR 18 1.908 4.902 -13.738 124 H LYS 19 H LYS 19 2.987 7.456 -10.306 125 HA LYS 19 HA LYS 19 2.425 7.361 -7.500 126 HB2 LYS 19 HB3 LYS 19 2.375 10.089 -8.457 127 HB3 LYS 19 HB2 LYS 19 3.644 9.274 -7.542 128 HG2 LYS 19 HG3 LYS 19 4.187 8.193 -9.913 129 HG3 LYS 19 HG2 LYS 19 3.373 9.637 -10.506 130 HD2 LYS 19 HD3 LYS 19 5.556 10.420 -10.358 131 HD3 LYS 19 HD2 LYS 19 4.966 10.846 -8.752 132 HE2 LYS 19 HE3 LYS 19 5.802 8.458 -8.080 133 HE3 LYS 19 HE2 LYS 19 6.755 8.561 -9.560 134 HZ1 LYS 19 HZ1 LYS 19 6.782 10.568 -7.372 135 HZ2 LYS 19 HZ2 LYS 19 7.739 10.601 -8.775 136 HZ3 LYS 19 HZ3 LYS 19 7.966 9.378 -7.617 137 H GLU 20 H GLU 20 0.810 9.151 -10.112 138 HA GLU 20 HA GLU 20 -1.429 10.087 -8.818 139 HB2 GLU 20 HB3 GLU 20 -1.201 10.632 -11.090 140 HB3 GLU 20 HB2 GLU 20 -1.087 8.934 -11.565 141 HG2 GLU 20 HG3 GLU 20 -3.478 8.667 -10.743 142 HG3 GLU 20 HG2 GLU 20 -3.535 10.417 -10.562 143 H ASP 21 H ASP 21 -0.735 6.783 -9.868 144 HA ASP 21 HA ASP 21 -3.274 5.617 -9.423 145 HB2 ASP 21 HB3 ASP 21 -1.078 4.491 -10.230 146 HB3 ASP 21 HB2 ASP 21 -0.730 4.256 -8.524 147 H LEU 22 H LEU 22 -0.691 6.420 -7.161 148 HA LEU 22 HA LEU 22 -2.114 5.449 -4.831 149 HB2 LEU 22 HB3 LEU 22 -0.012 7.594 -4.689 150 HB3 LEU 22 HB2 LEU 22 -0.308 6.258 -3.576 151 HG LEU 22 HG LEU 22 0.856 6.055 -6.368 152 HD11 LEU 22 HD11 LEU 22 1.967 5.716 -3.578 153 HD12 LEU 22 HD12 LEU 22 2.545 6.783 -4.857 154 HD13 LEU 22 HD13 LEU 22 2.769 5.039 -4.995 155 HD21 LEU 22 HD21 LEU 22 1.117 3.623 -5.744 156 HD22 LEU 22 HD22 LEU 22 -0.555 4.124 -5.989 157 HD23 LEU 22 HD23 LEU 22 0.075 3.927 -4.354 158 H LEU 23 H LEU 23 -2.180 8.255 -6.766 159 HA LEU 23 HA LEU 23 -3.436 9.974 -4.756 160 HB2 LEU 23 HB3 LEU 23 -3.222 10.294 -7.771 161 HB3 LEU 23 HB2 LEU 23 -3.582 11.569 -6.631 162 HG LEU 23 HG LEU 23 -0.982 10.022 -6.889 163 HD11 LEU 23 HD11 LEU 23 -1.119 13.007 -6.776 164 HD12 LEU 23 HD12 LEU 23 -1.768 12.253 -8.232 165 HD13 LEU 23 HD13 LEU 23 -0.094 11.962 -7.760 166 HD21 LEU 23 HD21 LEU 23 -1.200 10.232 -4.550 167 HD22 LEU 23 HD22 LEU 23 -2.029 11.786 -4.666 168 HD23 LEU 23 HD23 LEU 23 -0.299 11.682 -4.990 169 H LEU 24 H LEU 24 -4.613 8.440 -7.828 170 HA LEU 24 HA LEU 24 -7.350 9.060 -7.253 171 HB2 LEU 24 HB3 LEU 24 -7.967 7.363 -8.870 172 HB3 LEU 24 HB2 LEU 24 -6.603 8.287 -9.505 173 HG LEU 24 HG LEU 24 -5.266 6.286 -8.239 174 HD11 LEU 24 HD11 LEU 24 -6.391 4.184 -8.509 175 HD12 LEU 24 HD12 LEU 24 -7.712 4.931 -9.403 176 HD13 LEU 24 HD13 LEU 24 -7.537 5.232 -7.677 177 HD21 LEU 24 HD21 LEU 24 -4.834 6.879 -10.527 178 HD22 LEU 24 HD22 LEU 24 -6.440 6.359 -11.030 179 HD23 LEU 24 HD23 LEU 24 -5.244 5.165 -10.530 180 H LYS 25 H LYS 25 -5.309 6.221 -6.482 181 HA LYS 25 HA LYS 25 -7.247 4.596 -5.269 182 HB2 LYS 25 HB3 LYS 25 -4.361 5.161 -4.574 183 HB3 LYS 25 HB2 LYS 25 -5.319 4.049 -3.601 184 HG2 LYS 25 HG3 LYS 25 -5.660 2.566 -5.422 185 HG3 LYS 25 HG2 LYS 25 -5.160 3.774 -6.602 186 HD2 LYS 25 HD3 LYS 25 -2.868 3.604 -5.949 187 HD3 LYS 25 HD2 LYS 25 -3.276 2.697 -4.497 188 HE2 LYS 25 HE3 LYS 25 -2.369 1.337 -6.474 189 HE3 LYS 25 HE2 LYS 25 -3.870 0.760 -5.752 190 HZ1 LYS 25 HZ1 LYS 25 -3.484 1.339 -8.381 191 HZ2 LYS 25 HZ2 LYS 25 -4.308 2.708 -7.802 192 HZ3 LYS 25 HZ3 LYS 25 -4.987 1.162 -7.616 193 H SER 26 H SER 26 -5.512 7.386 -3.951 194 HA SER 26 HA SER 26 -6.847 7.422 -1.395 195 HB2 SER 26 HB3 SER 26 -4.647 8.637 -2.221 196 HB3 SER 26 HB2 SER 26 -5.758 9.881 -2.754 197 HG SER 26 HG SER 26 -6.631 9.535 -0.463 198 H LYS 27 H LYS 27 -8.279 7.539 -4.257 199 HA LYS 27 HA LYS 27 -9.658 9.923 -4.572 200 HB2 LYS 27 HB3 LYS 27 -11.645 8.378 -5.320 201 HB3 LYS 27 HB2 LYS 27 -10.147 8.394 -6.245 202 HG2 LYS 27 HG3 LYS 27 -9.594 6.258 -5.653 203 HG3 LYS 27 HG2 LYS 27 -10.232 6.433 -4.013 204 HD2 LYS 27 HD3 LYS 27 -11.604 4.838 -5.235 205 HD3 LYS 27 HD2 LYS 27 -12.548 6.307 -4.980 206 HE2 LYS 27 HE3 LYS 27 -11.975 7.082 -7.246 207 HE3 LYS 27 HE2 LYS 27 -11.007 5.632 -7.504 208 HZ1 LYS 27 HZ1 LYS 27 -13.528 5.790 -8.237 209 HZ2 LYS 27 HZ2 LYS 27 -13.770 5.255 -6.643 210 HZ3 LYS 27 HZ3 LYS 27 -12.831 4.333 -7.718 211 H GLY 28 H GLY 28 -10.720 7.225 -2.393 212 HA2 GLY 28 HA3 GLY 28 -11.447 8.423 -0.177 213 HA3 GLY 28 HA2 GLY 28 -12.647 9.166 -1.219 214 H THR 29 H THR 29 -11.965 5.985 -2.225 215 HA THR 29 HA THR 29 -13.825 4.724 -0.358 216 HB THR 29 HB THR 29 -15.088 4.244 -2.815 217 HG1 THR 29 HG1 THR 29 -15.582 6.440 -3.397 218 HG21 THR 29 HG21 THR 29 -16.986 5.310 -1.778 219 HG22 THR 29 HG22 THR 29 -15.938 6.221 -0.692 220 HG23 THR 29 HG23 THR 29 -16.090 4.474 -0.511 221 H CYS 30 H CYS 30 -13.898 2.461 -0.580 222 HA CYS 30 HA CYS 30 -11.618 1.150 -1.752 223 HB2 CYS 30 HB3 CYS 30 -12.918 0.205 0.165 224 HB3 CYS 30 HB2 CYS 30 -14.286 -0.047 -0.917 225 H GLN 31 H GLN 31 -11.494 0.042 -3.784 226 HA GLN 31 HA GLN 31 -13.461 0.941 -5.754 227 HB2 GLN 31 HB3 GLN 31 -12.079 -0.362 -7.369 228 HB3 GLN 31 HB2 GLN 31 -11.158 0.839 -6.471 229 HG2 GLN 31 HG3 GLN 31 -9.806 -1.099 -6.403 230 HG3 GLN 31 HG2 GLN 31 -10.606 -1.086 -4.838 231 HE21 GLN 31 HE21 GLN 31 -10.121 -3.524 -4.972 232 HE22 GLN 31 HE22 GLN 31 -11.244 -4.505 -5.783 233 H SER 32 H SER 32 -13.187 -1.763 -3.694 234 HA SER 32 HA SER 32 -15.086 -3.303 -5.426 235 HB2 SER 32 HB3 SER 32 -13.090 -4.212 -3.349 236 HB3 SER 32 HB2 SER 32 -14.384 -5.254 -3.934 237 HG SER 32 HG SER 32 -13.541 -4.655 -6.098 238 H CYS 33 H CYS 33 -14.804 -1.493 -2.545 239 HA CYS 33 HA CYS 33 -17.412 -2.625 -1.598 240 HB2 CYS 33 HB3 CYS 33 -15.232 -1.506 0.184 241 HB3 CYS 33 HB2 CYS 33 -16.731 -2.263 0.695 242 H GLY 34 H GLY 34 -15.530 0.226 -2.348 243 HA2 GLY 34 HA3 GLY 34 -16.135 2.503 -2.268 244 HA3 GLY 34 HA2 GLY 34 -17.775 1.924 -2.560 245 H VAL 35 H VAL 35 -15.406 2.094 0.091 246 HA VAL 35 HA VAL 35 -17.652 2.377 2.017 247 HB VAL 35 HB VAL 35 -16.026 1.729 3.720 248 HG11 VAL 35 HG11 VAL 35 -15.196 -0.459 2.379 249 HG12 VAL 35 HG12 VAL 35 -16.391 0.128 1.226 250 HG13 VAL 35 HG13 VAL 35 -16.873 -0.240 2.877 251 HG21 VAL 35 HG21 VAL 35 -14.086 2.027 1.417 252 HG22 VAL 35 HG22 VAL 35 -13.702 1.064 2.842 253 HG23 VAL 35 HG23 VAL 35 -14.017 2.787 3.007 254 H THR 36 H THR 36 -14.458 3.935 1.331 255 HA THR 36 HA THR 36 -15.253 6.576 1.547 256 HB THR 36 HB THR 36 -14.296 6.684 4.157 257 HG1 THR 36 HG1 THR 36 -16.068 5.099 4.978 258 HG21 THR 36 HG21 THR 36 -16.995 6.887 2.879 259 HG22 THR 36 HG22 THR 36 -16.069 8.103 3.754 260 HG23 THR 36 HG23 THR 36 -16.916 6.836 4.639 261 H GLY 37 H GLY 37 -13.305 7.929 2.716 262 HA2 GLY 37 HA3 GLY 37 -10.870 6.898 1.411 263 HA3 GLY 37 HA2 GLY 37 -11.108 8.529 2.000 264 HA PRO 38 HA PRO 38 -9.112 8.031 5.826 265 HB2 PRO 38 HB3 PRO 38 -11.323 7.640 7.625 266 HB3 PRO 38 HB2 PRO 38 -10.331 9.086 7.394 267 HG2 PRO 38 HG3 PRO 38 -12.996 8.483 6.359 268 HG3 PRO 38 HG2 PRO 38 -12.159 10.039 6.472 269 HD2 PRO 38 HD3 PRO 38 -12.634 8.737 4.094 270 HD3 PRO 38 HD2 PRO 38 -11.290 9.873 4.337 271 H ASN 39 H ASN 39 -8.076 6.290 6.480 272 HA ASN 39 HA ASN 39 -7.660 4.137 7.290 273 HB2 ASN 39 HB3 ASN 39 -10.174 4.633 8.269 274 HB3 ASN 39 HB2 ASN 39 -10.463 3.208 7.269 275 HD21 ASN 39 HD21 ASN 39 -10.305 1.354 8.525 276 HD22 ASN 39 HD22 ASN 39 -9.173 1.105 9.765 277 H LEU 40 H LEU 40 -8.153 4.875 4.375 278 HA LEU 40 HA LEU 40 -9.223 2.392 3.243 279 HB2 LEU 40 HB3 LEU 40 -8.078 4.924 2.127 280 HB3 LEU 40 HB2 LEU 40 -8.021 3.494 1.110 281 HG LEU 40 HG LEU 40 -10.478 4.846 2.260 282 HD11 LEU 40 HD11 LEU 40 -9.364 5.695 0.142 283 HD12 LEU 40 HD12 LEU 40 -11.041 5.191 -0.060 284 HD13 LEU 40 HD13 LEU 40 -9.739 4.136 -0.586 285 HD21 LEU 40 HD21 LEU 40 -11.540 2.924 0.717 286 HD22 LEU 40 HD22 LEU 40 -11.217 2.648 2.426 287 HD23 LEU 40 HD23 LEU 40 -10.082 2.065 1.207 288 H TRP 41 H TRP 41 -7.686 1.323 1.506 289 HA TRP 41 HA TRP 41 -4.857 1.317 2.181 290 HB2 TRP 41 HB3 TRP 41 -6.574 -0.403 3.669 291 HB3 TRP 41 HB2 TRP 41 -5.664 -1.421 2.558 292 HD1 TRP 41 HD TRP 41 -2.906 -0.144 2.454 293 HE1 TRP 41 HE1 TRP 41 -1.383 -0.000 4.529 294 HE3 TRP 41 HE3 TRP 41 -6.400 -0.587 6.148 295 HZ2 TRP 41 HZ2 TRP 41 -1.617 -0.063 7.380 296 HZ3 TRP 41 HZ3 TRP 41 -5.727 -0.542 8.532 297 HH2 TRP 41 HH2 TRP 41 -3.341 -0.282 9.152 298 H ALA 42 H ALA 42 -4.572 1.641 -0.051 299 HA ALA 42 HA ALA 42 -5.742 -0.308 -1.918 300 HB1 ALA 42 HB1 ALA 42 -5.689 2.068 -2.541 301 HB2 ALA 42 HB2 ALA 42 -4.712 1.115 -3.654 302 HB3 ALA 42 HB3 ALA 42 -3.933 2.075 -2.395 303 H CYS 43 H CYS 43 -4.588 -1.794 -3.098 304 HA CYS 43 HA CYS 43 -2.229 -2.924 -1.966 305 HB2 CYS 43 HB3 CYS 43 -3.962 -3.998 -3.548 306 HB3 CYS 43 HB2 CYS 43 -3.049 -3.243 -4.855 307 H LEU 44 H LEU 44 -0.040 -2.878 -2.789 308 HA LEU 44 HA LEU 44 0.539 -0.628 -4.667 309 HB2 LEU 44 HB3 LEU 44 0.878 -0.075 -2.182 310 HB3 LEU 44 HB2 LEU 44 2.223 -1.208 -2.232 311 HG LEU 44 HG LEU 44 3.103 0.125 -4.229 312 HD11 LEU 44 HD11 LEU 44 1.380 1.456 -5.021 313 HD12 LEU 44 HD12 LEU 44 2.210 2.611 -3.982 314 HD13 LEU 44 HD13 LEU 44 0.755 1.799 -3.408 315 HD21 LEU 44 HD21 LEU 44 3.995 1.952 -2.755 316 HD22 LEU 44 HD22 LEU 44 4.136 0.345 -2.043 317 HD23 LEU 44 HD23 LEU 44 2.860 1.438 -1.507 318 H GLN 45 H GLN 45 0.489 -3.383 -5.435 319 HA GLN 45 HA GLN 45 3.328 -4.209 -5.411 320 HB2 GLN 45 HB3 GLN 45 1.186 -5.600 -6.994 321 HB3 GLN 45 HB2 GLN 45 2.657 -6.270 -6.282 322 HG2 GLN 45 HG3 GLN 45 0.901 -5.081 -4.259 323 HG3 GLN 45 HG2 GLN 45 0.112 -6.374 -5.159 324 HE21 GLN 45 HE21 GLN 45 1.794 -5.957 -2.386 325 HE22 GLN 45 HE22 GLN 45 2.628 -7.433 -2.301 326 H VAL 46 H VAL 46 4.578 -4.374 -7.277 327 HA VAL 46 HA VAL 46 4.706 -2.330 -9.079 328 HB VAL 46 HB VAL 46 6.315 -4.282 -8.842 329 HG11 VAL 46 HG11 VAL 46 5.973 -6.254 -10.119 330 HG12 VAL 46 HG12 VAL 46 4.635 -5.537 -11.015 331 HG13 VAL 46 HG13 VAL 46 4.428 -5.965 -9.317 332 HG21 VAL 46 HG21 VAL 46 5.531 -3.408 -11.641 333 HG22 VAL 46 HG22 VAL 46 7.089 -4.097 -11.185 334 HG23 VAL 46 HG23 VAL 46 6.602 -2.526 -10.551 335 H ALA 47 H ALA 47 2.279 -4.864 -9.206 336 HA ALA 47 HA ALA 47 1.127 -3.477 -11.565 337 HB1 ALA 47 HB1 ALA 47 0.770 -5.683 -12.715 338 HB2 ALA 47 HB2 ALA 47 1.831 -6.420 -11.514 339 HB3 ALA 47 HB3 ALA 47 2.461 -5.192 -12.612 340 H CYS 48 H CYS 48 -0.058 -3.219 -9.158 341 HA CYS 48 HA CYS 48 -2.501 -4.873 -9.499 342 HB2 CYS 48 HB3 CYS 48 -0.940 -5.844 -7.700 343 HB3 CYS 48 HB2 CYS 48 -1.345 -4.414 -6.753 344 HA PRO 49 HA PRO 49 -3.470 -0.465 -8.603 345 HB2 PRO 49 HB3 PRO 49 -4.936 0.066 -10.809 346 HB3 PRO 49 HB2 PRO 49 -3.162 0.074 -10.843 347 HG2 PRO 49 HG3 PRO 49 -5.063 -1.975 -11.847 348 HG3 PRO 49 HG2 PRO 49 -3.490 -1.478 -12.492 349 HD2 PRO 49 HD3 PRO 49 -3.967 -3.761 -10.905 350 HD3 PRO 49 HD2 PRO 49 -2.375 -3.048 -11.248 351 H TYR 50 H TYR 50 -4.900 -0.885 -6.893 352 HA TYR 50 HA TYR 50 -7.734 -0.836 -7.463 353 HB2 TYR 50 HB3 TYR 50 -6.490 -3.398 -6.415 354 HB3 TYR 50 HB2 TYR 50 -8.192 -3.003 -6.180 355 HD1 TYR 50 HD1 TYR 50 -5.955 -4.702 -8.270 356 HD2 TYR 50 HD2 TYR 50 -9.402 -2.141 -8.439 357 HE1 TYR 50 HE1 TYR 50 -6.468 -5.539 -10.547 358 HE2 TYR 50 HE2 TYR 50 -9.912 -2.979 -10.716 359 HH TYR 50 HH TYR 50 -7.904 -5.501 -12.237 360 H VAL 51 H VAL 51 -8.689 0.177 -5.687 361 HA VAL 51 HA VAL 51 -6.958 0.458 -3.291 362 HB VAL 51 HB VAL 51 -7.508 2.591 -4.101 363 HG11 VAL 51 HG11 VAL 51 -9.832 3.246 -4.683 364 HG12 VAL 51 HG12 VAL 51 -10.364 1.600 -4.350 365 HG13 VAL 51 HG13 VAL 51 -9.251 1.914 -5.681 366 HG21 VAL 51 HG21 VAL 51 -8.194 1.917 -1.590 367 HG22 VAL 51 HG22 VAL 51 -9.780 2.414 -2.178 368 HG23 VAL 51 HG23 VAL 51 -8.427 3.542 -2.229 369 H GLY 52 H GLY 52 -7.375 -1.135 -1.876 370 HA2 GLY 52 HA3 GLY 52 -10.096 -2.182 -1.555 371 HA3 GLY 52 HA2 GLY 52 -8.656 -2.782 -0.745 372 H CYS 53 H CYS 53 -10.437 -2.704 1.031 373 HA CYS 53 HA CYS 53 -10.699 -0.012 2.270 374 HB2 CYS 53 HB3 CYS 53 -11.939 -1.745 3.987 375 HB3 CYS 53 HB2 CYS 53 -12.776 -0.934 2.688 376 H GLY 54 H GLY 54 -10.608 -0.094 4.653 377 HA2 GLY 54 HA3 GLY 54 -8.328 -1.746 5.661 378 HA3 GLY 54 HA2 GLY 54 -8.632 -0.078 6.204 379 H GLU 55 H GLU 55 -8.806 -2.401 7.990 380 HA GLU 55 HA GLU 55 -11.074 -3.687 8.547 381 HB2 GLU 55 HB3 GLU 55 -10.926 -3.173 10.879 382 HB3 GLU 55 HB2 GLU 55 -9.282 -3.152 10.248 383 HG2 GLU 55 HG3 GLU 55 -9.627 -0.626 9.910 384 HG3 GLU 55 HG2 GLU 55 -11.038 -0.803 10.953 385 H SER 56 H SER 56 -10.870 -0.202 8.522 386 HA SER 56 HA SER 56 -13.180 0.822 9.457 387 HB2 SER 56 HB3 SER 56 -11.584 1.321 7.059 388 HB3 SER 56 HB2 SER 56 -13.264 1.759 6.826 389 HG SER 56 HG SER 56 -11.712 2.528 9.072 390 H PHE 57 H PHE 57 -12.959 -1.199 6.535 391 HA PHE 57 HA PHE 57 -15.932 -1.597 6.706 392 HB2 PHE 57 HB3 PHE 57 -15.289 -0.487 4.630 393 HB3 PHE 57 HB2 PHE 57 -14.154 -1.766 4.272 394 HD1 PHE 57 HD1 PHE 57 -14.879 -3.490 2.867 395 HD2 PHE 57 HD2 PHE 57 -17.754 -1.371 5.254 396 HE1 PHE 57 HE1 PHE 57 -16.705 -4.826 1.852 397 HE2 PHE 57 HE2 PHE 57 -19.581 -2.706 4.238 398 HZ PHE 57 HZ PHE 57 -19.055 -4.434 2.537 399 H ALA 58 H ALA 58 -13.836 -3.397 4.636 400 HA ALA 58 HA ALA 58 -14.172 -5.814 6.387 401 HB1 ALA 58 HB1 ALA 58 -14.263 -7.151 4.309 402 HB2 ALA 58 HB2 ALA 58 -14.130 -5.675 3.352 403 HB3 ALA 58 HB3 ALA 58 -15.561 -5.957 4.344 404 H ASP 59 H ASP 59 -12.031 -3.623 5.228 405 HA ASP 59 HA ASP 59 -9.715 -3.587 4.968 406 HB2 ASP 59 HB3 ASP 59 -9.689 -4.375 7.244 407 HB3 ASP 59 HB2 ASP 59 -10.013 -6.023 6.742 408 H HIS 60 H HIS 60 -10.532 -4.348 2.612 409 HA HIS 60 HA HIS 60 -10.142 -6.976 1.680 410 HB2 HIS 60 HB3 HIS 60 -9.965 -4.288 0.494 411 HB3 HIS 60 HB2 HIS 60 -8.917 -5.445 -0.297 412 HD2 HIS 60 HD2 HIS 60 -10.523 -7.984 -0.886 413 HE1 HIS 60 HE1 HIS 60 -13.944 -5.668 -1.736 414 HE2 HIS 60 HE2 HIS 60 -12.882 -7.953 -1.986 415 H SER 61 H SER 61 -7.946 -4.622 2.886 416 HA SER 61 HA SER 61 -5.443 -5.303 1.933 417 HB2 SER 61 HB3 SER 61 -6.270 -3.724 3.902 418 HB3 SER 61 HB2 SER 61 -5.768 -5.077 4.904 419 HG SER 61 HG SER 61 -4.167 -3.344 4.242 420 H THR 62 H THR 62 -7.465 -7.222 4.101 421 HA THR 62 HA THR 62 -5.277 -9.130 4.566 422 HB THR 62 HB THR 62 -7.289 -10.384 5.681 423 HG1 THR 62 HG1 THR 62 -9.063 -9.312 5.454 424 HG21 THR 62 HG21 THR 62 -5.587 -9.587 7.095 425 HG22 THR 62 HG22 THR 62 -7.024 -8.756 7.689 426 HG23 THR 62 HG23 THR 62 -5.881 -7.906 6.650 427 H ILE 63 H ILE 63 -8.661 -9.565 3.451 428 HA ILE 63 HA ILE 63 -8.179 -12.091 2.329 429 HB ILE 63 HB ILE 63 -10.185 -11.588 0.849 430 HG12 ILE 63 HG13 ILE 63 -10.331 -9.102 2.560 431 HG13 ILE 63 HG12 ILE 63 -9.649 -9.103 0.935 432 HG21 ILE 63 HG21 ILE 63 -11.709 -11.362 2.923 433 HG22 ILE 63 HG22 ILE 63 -10.216 -11.318 3.862 434 HG23 ILE 63 HG23 ILE 63 -10.604 -12.737 2.889 435 HD11 ILE 63 HD11 ILE 63 -12.409 -10.180 1.534 436 HD12 ILE 63 HD12 ILE 63 -11.723 -9.789 -0.043 437 HD13 ILE 63 HD13 ILE 63 -12.127 -8.498 1.089 438 H HIS 64 H HIS 64 -7.702 -8.898 1.012 439 HA HIS 64 HA HIS 64 -7.190 -9.745 -1.706 440 HB2 HIS 64 HB3 HIS 64 -7.798 -7.405 -1.168 441 HB3 HIS 64 HB2 HIS 64 -6.281 -7.224 -0.283 442 HD1 HIS 64 HD1 HIS 64 -7.698 -7.025 -3.660 443 HD2 HIS 64 HD2 HIS 64 -3.913 -7.577 -2.000 444 HE1 HIS 64 HE1 HIS 64 -6.029 -6.617 -5.523 445 H ALA 65 H ALA 65 -5.117 -9.073 1.125 446 HA ALA 65 HA ALA 65 -2.664 -9.684 -0.374 447 HB1 ALA 65 HB1 ALA 65 -1.656 -9.732 1.967 448 HB2 ALA 65 HB2 ALA 65 -3.264 -9.355 2.584 449 HB3 ALA 65 HB3 ALA 65 -2.434 -8.210 1.530 450 H GLN 66 H GLN 66 -5.138 -11.279 1.229 451 HA GLN 66 HA GLN 66 -3.774 -13.780 1.856 452 HB2 GLN 66 HB3 GLN 66 -5.587 -13.017 3.238 453 HB3 GLN 66 HB2 GLN 66 -6.592 -12.757 1.840 454 HG2 GLN 66 HG3 GLN 66 -7.501 -14.730 2.486 455 HG3 GLN 66 HG2 GLN 66 -6.187 -15.384 1.509 456 HE21 GLN 66 HE21 GLN 66 -7.321 -14.921 4.819 457 HE22 GLN 66 HE22 GLN 66 -6.116 -15.862 5.558 458 H ALA 67 H ALA 67 -5.888 -12.511 -0.690 459 HA ALA 67 HA ALA 67 -6.115 -15.148 -1.971 460 HB1 ALA 67 HB1 ALA 67 -7.343 -12.453 -2.358 461 HB2 ALA 67 HB2 ALA 67 -8.116 -14.034 -2.270 462 HB3 ALA 67 HB3 ALA 67 -7.291 -13.537 -3.748 463 H LYS 68 H LYS 68 -4.665 -11.984 -2.654 464 HA LYS 68 HA LYS 68 -3.301 -13.131 -5.034 465 HB2 LYS 68 HB3 LYS 68 -3.360 -10.277 -4.012 466 HB3 LYS 68 HB2 LYS 68 -2.751 -10.823 -5.572 467 HG2 LYS 68 HG3 LYS 68 -4.876 -10.276 -6.265 468 HG3 LYS 68 HG2 LYS 68 -5.230 -11.900 -5.678 469 HD2 LYS 68 HD3 LYS 68 -5.974 -11.033 -3.542 470 HD3 LYS 68 HD2 LYS 68 -5.471 -9.406 -3.982 471 HE2 LYS 68 HE3 LYS 68 -7.205 -9.145 -5.535 472 HE3 LYS 68 HE2 LYS 68 -7.440 -10.884 -5.709 473 HZ1 LYS 68 HZ1 LYS 68 -8.459 -9.066 -3.682 474 HZ2 LYS 68 HZ2 LYS 68 -7.960 -10.594 -3.129 475 HZ3 LYS 68 HZ3 LYS 68 -9.154 -10.471 -4.331 476 H LYS 69 H LYS 69 -2.745 -13.047 -1.845 477 HA LYS 69 HA LYS 69 -0.835 -13.198 -0.519 478 HB2 LYS 69 HB3 LYS 69 -0.008 -14.187 -3.208 479 HB3 LYS 69 HB2 LYS 69 1.281 -13.839 -2.057 480 HG2 LYS 69 HG3 LYS 69 0.405 -16.217 -1.994 481 HG3 LYS 69 HG2 LYS 69 0.375 -15.373 -0.447 482 HD2 LYS 69 HD3 LYS 69 -1.937 -15.204 -0.425 483 HD3 LYS 69 HD2 LYS 69 -2.060 -15.188 -2.183 484 HE2 LYS 69 HE3 LYS 69 -1.598 -17.565 -2.296 485 HE3 LYS 69 HE2 LYS 69 -1.265 -17.623 -0.565 486 HZ1 LYS 69 HZ1 LYS 69 -3.789 -16.456 -0.993 487 HZ2 LYS 69 HZ2 LYS 69 -3.410 -17.892 -0.169 488 HZ3 LYS 69 HZ3 LYS 69 -3.718 -17.924 -1.839 489 H HIS 70 H HIS 70 -1.457 -10.615 -2.192 490 HA HIS 70 HA HIS 70 1.169 -9.356 -2.481 491 HB2 HIS 70 HB3 HIS 70 -1.647 -8.214 -2.402 492 HB3 HIS 70 HB2 HIS 70 -0.206 -7.254 -2.715 493 HD2 HIS 70 HD2 HIS 70 1.024 -9.991 -4.597 494 HE1 HIS 70 HE1 HIS 70 -2.000 -8.629 -7.204 495 HE2 HIS 70 HE2 HIS 70 0.080 -10.064 -7.022 496 H ASN 71 H ASN 71 2.380 -8.659 -0.754 497 HA ASN 71 HA ASN 71 1.081 -8.566 1.898 498 HB2 ASN 71 HB3 ASN 71 3.502 -8.240 2.639 499 HB3 ASN 71 HB2 ASN 71 3.091 -9.781 1.890 500 HD21 ASN 71 HD21 ASN 71 5.140 -10.234 0.917 501 HD22 ASN 71 HD22 ASN 71 5.827 -9.256 -0.288 502 H LEU 72 H LEU 72 3.004 -6.375 -0.169 503 HA LEU 72 HA LEU 72 2.738 -4.219 1.771 504 HB2 LEU 72 HB3 LEU 72 3.828 -4.313 -1.037 505 HB3 LEU 72 HB2 LEU 72 3.850 -2.863 -0.032 506 HG LEU 72 HG LEU 72 4.967 -5.453 1.020 507 HD11 LEU 72 HD11 LEU 72 6.253 -3.500 -0.884 508 HD12 LEU 72 HD12 LEU 72 6.187 -5.255 -1.002 509 HD13 LEU 72 HD13 LEU 72 7.217 -4.490 0.209 510 HD21 LEU 72 HD21 LEU 72 4.584 -3.351 2.448 511 HD22 LEU 72 HD22 LEU 72 5.848 -2.591 1.488 512 HD23 LEU 72 HD23 LEU 72 6.218 -4.007 2.469 513 H THR 73 H THR 73 1.394 -2.575 1.795 514 HA THR 73 HA THR 73 -0.249 -1.833 -0.529 515 HB THR 73 HB THR 73 -1.673 -3.531 0.541 516 HG1 THR 73 HG1 THR 73 -2.319 -1.049 0.155 517 HG21 THR 73 HG21 THR 73 -1.282 -1.889 3.057 518 HG22 THR 73 HG22 THR 73 -0.611 -3.491 2.759 519 HG23 THR 73 HG23 THR 73 -2.354 -3.279 2.897 520 H VAL 74 H VAL 74 -1.245 0.376 -0.061 521 HA VAL 74 HA VAL 74 0.233 1.696 2.188 522 HB VAL 74 HB VAL 74 1.265 2.480 0.217 523 HG11 VAL 74 HG11 VAL 74 -0.022 3.269 -1.740 524 HG12 VAL 74 HG12 VAL 74 -1.529 2.886 -0.908 525 HG13 VAL 74 HG13 VAL 74 -0.423 1.594 -1.365 526 HG21 VAL 74 HG21 VAL 74 -0.889 4.562 0.639 527 HG22 VAL 74 HG22 VAL 74 0.818 4.810 0.271 528 HG23 VAL 74 HG23 VAL 74 0.334 4.243 1.867 529 H ASN 75 H ASN 75 -0.943 2.716 3.639 530 HA ASN 75 HA ASN 75 -3.844 2.899 3.337 531 HB2 ASN 75 HB3 ASN 75 -2.650 2.331 5.503 532 HB3 ASN 75 HB2 ASN 75 -2.128 4.014 5.568 533 HD21 ASN 75 HD21 ASN 75 -4.959 4.419 4.086 534 HD22 ASN 75 HD22 ASN 75 -6.014 4.535 5.410 535 H LEU 76 H LEU 76 -4.488 4.497 1.952 536 HA LEU 76 HA LEU 76 -3.065 7.002 1.659 537 HB2 LEU 76 HB3 LEU 76 -5.940 6.458 0.895 538 HB3 LEU 76 HB2 LEU 76 -4.826 7.609 0.162 539 HG LEU 76 HG LEU 76 -3.677 4.938 0.144 540 HD11 LEU 76 HD11 LEU 76 -5.201 3.804 -1.309 541 HD12 LEU 76 HD12 LEU 76 -6.251 5.214 -1.412 542 HD13 LEU 76 HD13 LEU 76 -6.117 4.321 0.102 543 HD21 LEU 76 HD21 LEU 76 -3.236 7.072 -1.311 544 HD22 LEU 76 HD22 LEU 76 -4.546 6.435 -2.301 545 HD23 LEU 76 HD23 LEU 76 -3.096 5.476 -2.042 546 H THR 77 H THR 77 -4.353 5.981 4.315 547 HA THR 77 HA THR 77 -6.006 8.347 5.001 548 HB THR 77 HB THR 77 -5.253 5.940 6.685 549 HG1 THR 77 HG1 THR 77 -6.532 5.570 4.745 550 HG21 THR 77 HG21 THR 77 -5.887 7.754 8.101 551 HG22 THR 77 HG22 THR 77 -7.310 6.723 7.966 552 HG23 THR 77 HG23 THR 77 -7.209 8.217 7.033 553 H THR 78 H THR 78 -2.979 6.733 5.823 554 HA THR 78 HA THR 78 -2.136 9.199 7.298 555 HB THR 78 HB THR 78 -1.067 6.408 7.748 556 HG1 THR 78 HG1 THR 78 -3.377 7.626 8.585 557 HG21 THR 78 HG21 THR 78 -0.860 9.040 9.227 558 HG22 THR 78 HG22 THR 78 0.451 8.082 8.536 559 HG23 THR 78 HG23 THR 78 -0.417 7.496 9.955 560 H PHE 79 H PHE 79 -1.440 7.105 4.670 561 HA PHE 79 HA PHE 79 0.175 7.402 2.980 562 HB2 PHE 79 HB3 PHE 79 0.156 9.868 3.997 563 HB3 PHE 79 HB2 PHE 79 1.741 9.379 4.596 564 HD1 PHE 79 HD1 PHE 79 -0.275 10.107 1.613 565 HD2 PHE 79 HD2 PHE 79 3.560 8.805 3.043 566 HE1 PHE 79 HE1 PHE 79 0.696 10.493 -0.637 567 HE2 PHE 79 HE2 PHE 79 4.530 9.190 0.794 568 HZ PHE 79 HZ PHE 79 3.098 10.034 -1.045 569 H ARG 80 H ARG 80 0.446 5.263 4.510 570 HA ARG 80 HA ARG 80 3.382 4.989 4.786 571 HB2 ARG 80 HB3 ARG 80 2.471 3.404 6.867 572 HB3 ARG 80 HB2 ARG 80 3.239 4.976 7.058 573 HG2 ARG 80 HG3 ARG 80 1.182 6.084 7.342 574 HG3 ARG 80 HG2 ARG 80 0.266 4.782 6.579 575 HD2 ARG 80 HD3 ARG 80 0.794 3.300 8.480 576 HD3 ARG 80 HD2 ARG 80 1.688 4.604 9.252 577 HE ARG 80 HE ARG 80 -0.393 5.695 9.741 578 HH11 ARG 80 HH11 ARG 80 -2.611 5.513 10.117 579 HH12 ARG 80 HH12 ARG 80 -3.492 4.194 9.422 580 HH21 ARG 80 HH21 ARG 80 -0.723 2.814 7.861 581 HH22 ARG 80 HH22 ARG 80 -2.425 2.669 8.148 582 H LEU 81 H LEU 81 3.681 2.419 5.253 583 HA LEU 81 HA LEU 81 1.825 1.078 3.334 584 HB2 LEU 81 HB3 LEU 81 4.760 1.028 3.649 585 HB3 LEU 81 HB2 LEU 81 4.013 -0.507 3.249 586 HG LEU 81 HG LEU 81 3.190 1.927 1.722 587 HD11 LEU 81 HD11 LEU 81 5.560 2.222 1.640 588 HD12 LEU 81 HD12 LEU 81 5.112 1.447 0.121 589 HD13 LEU 81 HD13 LEU 81 5.834 0.493 1.416 590 HD21 LEU 81 HD21 LEU 81 2.824 -0.903 1.518 591 HD22 LEU 81 HD22 LEU 81 3.782 -0.400 0.131 592 HD23 LEU 81 HD23 LEU 81 2.218 0.347 0.436 593 H TRP 82 H TRP 82 2.025 -1.398 3.646 594 HA TRP 82 HA TRP 82 2.303 -2.257 6.434 595 HB2 TRP 82 HB3 TRP 82 -0.051 -1.263 6.149 596 HB3 TRP 82 HB2 TRP 82 -0.370 -2.616 5.067 597 HD1 TRP 82 HD TRP 82 1.367 -2.382 8.529 598 HE1 TRP 82 HE1 TRP 82 0.359 -4.206 10.047 599 HE3 TRP 82 HE3 TRP 82 -2.067 -4.397 5.329 600 HZ2 TRP 82 HZ2 TRP 82 -1.640 -6.246 9.922 601 HZ3 TRP 82 HZ3 TRP 82 -3.509 -6.277 6.055 602 HH2 TRP 82 HH2 TRP 82 -3.301 -7.204 8.345 603 H CYS 83 H CYS 83 3.539 -4.022 6.049 604 HA CYS 83 HA CYS 83 3.109 -5.594 3.588 605 HB2 CYS 83 HB3 CYS 83 5.382 -4.836 4.826 606 HB3 CYS 83 HB2 CYS 83 5.136 -6.398 5.599 607 H TYR 84 H TYR 84 1.531 -7.168 3.764 608 HA TYR 84 HA TYR 84 0.873 -8.344 6.349 609 HB2 TYR 84 HB3 TYR 84 -0.643 -8.183 4.212 610 HB3 TYR 84 HB2 TYR 84 0.222 -9.628 3.683 611 HD1 TYR 84 HD1 TYR 84 -1.426 -8.299 6.788 612 HD2 TYR 84 HD2 TYR 84 -0.698 -11.691 4.255 613 HE1 TYR 84 HE1 TYR 84 -2.869 -9.695 8.242 614 HE2 TYR 84 HE2 TYR 84 -2.143 -13.087 5.710 615 HH TYR 84 HH TYR 84 -4.317 -12.027 7.700 616 H ALA 85 H ALA 85 3.538 -8.506 4.541 617 HA ALA 85 HA ALA 85 4.072 -11.385 5.017 618 HB1 ALA 85 HB1 ALA 85 6.261 -10.772 3.767 619 HB2 ALA 85 HB2 ALA 85 5.422 -9.290 3.315 620 HB3 ALA 85 HB3 ALA 85 4.778 -10.856 2.822 621 H CYS 86 H CYS 86 6.036 -8.372 5.210 622 HA CYS 86 HA CYS 86 7.558 -9.323 7.458 623 HB2 CYS 86 HB3 CYS 86 7.014 -6.437 6.660 624 HB3 CYS 86 HB2 CYS 86 8.362 -7.025 7.626 625 H GLU 87 H GLU 87 4.424 -8.304 6.952 626 HA GLU 87 HA GLU 87 2.653 -7.661 8.330 627 HB2 GLU 87 HB3 GLU 87 4.027 -9.917 9.387 628 HB3 GLU 87 HB2 GLU 87 3.505 -8.930 10.740 629 HG2 GLU 87 HG3 GLU 87 1.650 -9.663 8.475 630 HG3 GLU 87 HG2 GLU 87 1.824 -10.662 9.915 631 H LYS 88 H LYS 88 4.010 -5.510 8.139 632 HA LYS 88 HA LYS 88 3.903 -4.299 10.804 633 HB2 LYS 88 HB3 LYS 88 6.264 -3.303 10.446 634 HB3 LYS 88 HB2 LYS 88 6.165 -4.971 11.012 635 HG2 LYS 88 HG3 LYS 88 6.559 -5.828 8.803 636 HG3 LYS 88 HG2 LYS 88 6.395 -4.230 8.086 637 HD2 LYS 88 HD3 LYS 88 8.733 -4.557 8.195 638 HD3 LYS 88 HD2 LYS 88 8.382 -3.554 9.601 639 HE2 LYS 88 HE3 LYS 88 8.044 -6.195 10.512 640 HE3 LYS 88 HE2 LYS 88 9.489 -6.243 9.504 641 HZ1 LYS 88 HZ1 LYS 88 9.517 -5.492 12.039 642 HZ2 LYS 88 HZ2 LYS 88 9.250 -3.980 11.313 643 HZ3 LYS 88 HZ3 LYS 88 10.616 -4.899 10.891 644 H GLU 89 H GLU 89 4.874 -1.853 10.370 645 HA GLU 89 HA GLU 89 3.476 -0.934 7.886 646 HB2 GLU 89 HB3 GLU 89 3.116 -0.197 10.580 647 HB3 GLU 89 HB2 GLU 89 3.987 1.152 9.855 648 HG2 GLU 89 HG3 GLU 89 2.291 1.562 8.279 649 HG3 GLU 89 HG2 GLU 89 1.593 -0.047 8.462 650 H VAL 90 H VAL 90 4.585 0.528 6.498 651 HA VAL 90 HA VAL 90 7.244 1.490 7.383 652 HB VAL 90 HB VAL 90 7.966 0.489 4.933 653 HG11 VAL 90 HG11 VAL 90 8.074 -1.025 7.561 654 HG12 VAL 90 HG12 VAL 90 9.184 0.262 7.093 655 HG13 VAL 90 HG13 VAL 90 9.152 -1.248 6.183 656 HG21 VAL 90 HG21 VAL 90 6.320 -1.718 6.178 657 HG22 VAL 90 HG22 VAL 90 7.036 -1.655 4.567 658 HG23 VAL 90 HG23 VAL 90 5.637 -0.654 4.950 659 H PHE 91 H PHE 91 7.952 3.274 6.205 660 HA PHE 91 HA PHE 91 5.937 4.491 4.369 661 HB2 PHE 91 HB3 PHE 91 8.298 5.729 5.817 662 HB3 PHE 91 HB2 PHE 91 7.169 6.597 4.781 663 HD1 PHE 91 HD1 PHE 91 7.183 4.326 7.776 664 HD2 PHE 91 HD2 PHE 91 5.296 7.612 5.751 665 HE1 PHE 91 HE1 PHE 91 5.654 4.636 9.703 666 HE2 PHE 91 HE2 PHE 91 3.766 7.921 7.677 667 HZ PHE 91 HZ PHE 91 3.945 6.433 9.654 668 H LEU 92 H LEU 92 7.003 5.837 2.568 669 HA LEU 92 HA LEU 92 8.546 4.245 0.859 670 HB2 LEU 92 HB3 LEU 92 8.192 7.224 1.129 671 HB3 LEU 92 HB2 LEU 92 9.375 6.597 -0.017 672 HG LEU 92 HG LEU 92 7.086 7.003 -1.003 673 HD11 LEU 92 HD11 LEU 92 8.868 5.103 -1.645 674 HD12 LEU 92 HD12 LEU 92 7.309 5.227 -2.456 675 HD13 LEU 92 HD13 LEU 92 7.536 4.051 -1.164 676 HD21 LEU 92 HD21 LEU 92 5.238 5.652 -0.376 677 HD22 LEU 92 HD22 LEU 92 5.951 6.160 1.154 678 HD23 LEU 92 HD23 LEU 92 6.256 4.537 0.535 679 H GLU 93 H GLU 93 10.786 4.064 0.550 680 HA GLU 93 HA GLU 93 12.451 3.901 2.772 681 HB2 GLU 93 HB3 GLU 93 14.361 4.076 1.072 682 HB3 GLU 93 HB2 GLU 93 13.159 2.816 0.789 683 HG2 GLU 93 HG3 GLU 93 11.948 4.581 -0.680 684 HG3 GLU 93 HG2 GLU 93 13.475 5.462 -0.631 685 H GLN 94 H GLN 94 11.154 6.737 1.753 686 HA GLN 94 HA GLN 94 11.638 8.975 2.231 687 HB2 GLN 94 HB3 GLN 94 13.875 7.957 3.986 688 HB3 GLN 94 HB2 GLN 94 12.926 9.430 4.173 689 HG2 GLN 94 HG3 GLN 94 10.887 7.980 4.503 690 HG3 GLN 94 HG2 GLN 94 11.962 6.581 4.538 691 HE21 GLN 94 HE21 GLN 94 14.147 7.665 5.999 692 HE22 GLN 94 HE22 GLN 94 13.626 8.029 7.574 693 H ARG 95 H ARG 95 14.089 6.882 0.996 694 HA ARG 95 HA ARG 95 16.296 8.541 0.638 695 HB2 ARG 95 HB3 ARG 95 16.977 7.051 -0.998 696 HB3 ARG 95 HB2 ARG 95 15.698 6.099 -0.256 697 HG2 ARG 95 HG3 ARG 95 15.186 5.932 -2.532 698 HG3 ARG 95 HG2 ARG 95 14.138 7.245 -2.006 699 HD2 ARG 95 HD3 ARG 95 15.081 8.515 -3.629 700 HD3 ARG 95 HD2 ARG 95 16.576 8.489 -2.696 701 HE ARG 95 HE ARG 95 16.560 6.087 -4.132 702 HH11 ARG 95 HH11 ARG 95 17.595 5.925 -6.136 703 HH12 ARG 95 HH12 ARG 95 17.864 7.356 -7.075 704 HH21 ARG 95 HH21 ARG 95 16.391 9.473 -4.757 705 HH22 ARG 95 HH22 ARG 95 17.182 9.366 -6.294 706 H LEU 96 H LEU 96 13.177 8.696 -0.925 707 HA LEU 96 HA LEU 96 14.084 10.831 -2.764 708 HB2 LEU 96 HB3 LEU 96 11.698 10.765 -3.556 709 HB3 LEU 96 HB2 LEU 96 12.537 9.224 -3.705 710 HG LEU 96 HG LEU 96 11.548 8.616 -1.423 711 HD11 LEU 96 HD11 LEU 96 9.229 9.991 -1.278 712 HD12 LEU 96 HD12 LEU 96 10.267 11.263 -1.918 713 HD13 LEU 96 HD13 LEU 96 10.675 10.475 -0.396 714 HD21 LEU 96 HD21 LEU 96 10.720 7.727 -3.586 715 HD22 LEU 96 HD22 LEU 96 9.633 9.110 -3.724 716 HD23 LEU 96 HD23 LEU 96 9.410 7.939 -2.424 717 H ALA 97 H ALA 97 12.308 12.717 -2.874 718 HA ALA 97 HA ALA 97 11.128 13.500 -0.350 719 HB1 ALA 97 HB1 ALA 97 13.712 14.834 -1.213 720 HB2 ALA 97 HB2 ALA 97 13.429 13.949 0.285 721 HB3 ALA 97 HB3 ALA 97 12.621 15.491 0.007 722 H ALA 98 H ALA 98 11.272 16.332 -0.795 723 HA ALA 98 HA ALA 98 10.547 16.911 -3.547 724 HB1 ALA 98 HB1 ALA 98 8.414 16.495 -1.458 725 HB2 ALA 98 HB2 ALA 98 8.456 15.916 -3.124 726 HB3 ALA 98 HB3 ALA 98 8.152 17.621 -2.790 727 HA PRO 99 HA PRO 99 11.747 21.043 -2.562 728 HB2 PRO 99 HB3 PRO 99 8.980 21.807 -3.447 729 HB3 PRO 99 HB2 PRO 99 10.541 22.526 -3.890 730 HG2 PRO 99 HG3 PRO 99 9.229 20.840 -5.515 731 HG3 PRO 99 HG2 PRO 99 10.997 20.912 -5.447 732 HD2 PRO 99 HD3 PRO 99 9.196 18.771 -4.504 733 HD3 PRO 99 HD2 PRO 99 10.939 18.708 -4.839 Start of MODEL 7 1 H1 MET 1 H1 MET 1 19.030 -1.854 -5.007 2 HA MET 1 HA MET 1 16.650 -1.922 -4.088 3 HB2 MET 1 HB3 MET 1 18.541 -4.065 -3.105 4 HB3 MET 1 HB2 MET 1 16.886 -4.254 -3.683 5 HG2 MET 1 HG3 MET 1 18.093 -4.934 -5.556 6 HG3 MET 1 HG2 MET 1 17.861 -3.222 -5.908 7 HE1 MET 1 HE1 MET 1 21.549 -4.880 -6.786 8 HE2 MET 1 HE2 MET 1 20.030 -4.418 -7.551 9 HE3 MET 1 HE3 MET 1 20.070 -5.785 -6.441 10 H GLY 2 H GLY 2 15.589 -1.199 -2.314 11 HA2 GLY 2 HA3 GLY 2 15.101 -0.732 -0.068 12 HA3 GLY 2 HA2 GLY 2 16.197 -2.052 0.343 13 H ASP 3 H ASP 3 16.090 0.302 1.890 14 HA ASP 3 HA ASP 3 18.887 1.200 1.605 15 HB2 ASP 3 HB3 ASP 3 17.664 2.848 0.260 16 HB3 ASP 3 HB2 ASP 3 16.553 3.138 1.599 17 H SER 4 H SER 4 16.611 3.114 3.402 18 HA SER 4 HA SER 4 17.930 2.365 5.903 19 HB2 SER 4 HB3 SER 4 15.529 4.158 5.441 20 HB3 SER 4 HB2 SER 4 16.479 4.056 6.920 21 HG SER 4 HG SER 4 17.989 5.228 6.022 22 H ARG 5 H ARG 5 16.699 1.591 7.796 23 HA ARG 5 HA ARG 5 15.367 -0.798 7.500 24 HB2 ARG 5 HB3 ARG 5 14.012 0.354 9.663 25 HB3 ARG 5 HB2 ARG 5 15.521 -0.553 9.747 26 HG2 ARG 5 HG3 ARG 5 16.825 1.477 9.526 27 HG3 ARG 5 HG2 ARG 5 15.371 2.429 9.227 28 HD2 ARG 5 HD3 ARG 5 15.845 2.804 11.515 29 HD3 ARG 5 HD2 ARG 5 14.573 1.582 11.536 30 HE ARG 5 HE ARG 5 16.859 0.061 11.549 31 HH11 ARG 5 HH11 ARG 5 17.979 -0.518 13.424 32 HH12 ARG 5 HH12 ARG 5 17.858 0.482 14.833 33 HH21 ARG 5 HH21 ARG 5 15.736 2.782 13.342 34 HH22 ARG 5 HH22 ARG 5 16.588 2.350 14.787 35 H ASP 6 H ASP 6 13.847 2.415 7.458 36 HA ASP 6 HA ASP 6 11.151 1.877 7.397 37 HB2 ASP 6 HB3 ASP 6 12.655 4.036 6.733 38 HB3 ASP 6 HB2 ASP 6 12.084 3.570 5.134 39 H LEU 7 H LEU 7 13.504 0.916 5.019 40 HA LEU 7 HA LEU 7 11.564 0.253 2.966 41 HB2 LEU 7 HB3 LEU 7 13.386 -0.137 1.645 42 HB3 LEU 7 HB2 LEU 7 14.240 0.696 2.932 43 HG LEU 7 HG LEU 7 15.497 -1.268 2.472 44 HD11 LEU 7 HD11 LEU 7 14.240 -0.950 5.010 45 HD12 LEU 7 HD12 LEU 7 15.802 -1.669 4.645 46 HD13 LEU 7 HD13 LEU 7 14.359 -2.677 4.686 47 HD21 LEU 7 HD21 LEU 7 14.637 -3.189 1.674 48 HD22 LEU 7 HD22 LEU 7 13.084 -2.362 1.608 49 HD23 LEU 7 HD23 LEU 7 13.506 -3.340 3.015 50 H CYS 8 H CYS 8 11.122 -1.953 2.217 51 HA CYS 8 HA CYS 8 11.330 -4.003 4.384 52 HB2 CYS 8 HB3 CYS 8 9.073 -4.054 4.539 53 HB3 CYS 8 HB2 CYS 8 8.931 -2.827 3.282 54 HA PRO 9 HA PRO 9 13.065 -6.797 1.461 55 HB2 PRO 9 HB3 PRO 9 11.453 -9.046 1.803 56 HB3 PRO 9 HB2 PRO 9 12.781 -8.586 2.874 57 HG2 PRO 9 HG3 PRO 9 9.879 -8.038 3.159 58 HG3 PRO 9 HG2 PRO 9 11.007 -8.612 4.388 59 HD2 PRO 9 HD3 PRO 9 10.306 -6.051 4.363 60 HD3 PRO 9 HD2 PRO 9 12.018 -6.474 4.610 61 H HIS 10 H HIS 10 9.537 -7.225 1.431 62 HA HIS 10 HA HIS 10 9.469 -7.827 -1.416 63 HB2 HIS 10 HB3 HIS 10 7.026 -6.977 0.143 64 HB3 HIS 10 HB2 HIS 10 7.169 -8.172 -1.145 65 HD2 HIS 10 HD2 HIS 10 7.899 -10.747 -0.313 66 HE1 HIS 10 HE1 HIS 10 8.242 -9.877 3.801 67 HE2 HIS 10 HE2 HIS 10 8.229 -11.731 2.076 68 H LEU 11 H LEU 11 10.047 -5.019 0.150 69 HA LEU 11 HA LEU 11 8.354 -3.149 -1.219 70 HB2 LEU 11 HB3 LEU 11 9.776 -2.740 0.852 71 HB3 LEU 11 HB2 LEU 11 11.160 -2.639 -0.228 72 HG LEU 11 HG LEU 11 8.675 -0.945 -0.591 73 HD11 LEU 11 HD11 LEU 11 9.739 0.831 0.607 74 HD12 LEU 11 HD12 LEU 11 11.253 -0.067 0.720 75 HD13 LEU 11 HD13 LEU 11 9.845 -0.593 1.642 76 HD21 LEU 11 HD21 LEU 11 10.765 0.465 -1.624 77 HD22 LEU 11 HD22 LEU 11 9.786 -0.646 -2.574 78 HD23 LEU 11 HD23 LEU 11 11.331 -1.179 -1.916 79 H ASP 12 H ASP 12 11.569 -4.477 -1.944 80 HA ASP 12 HA ASP 12 11.886 -2.896 -4.362 81 HB2 ASP 12 HB3 ASP 12 13.844 -3.739 -3.164 82 HB3 ASP 12 HB2 ASP 12 13.295 -5.399 -3.402 83 H SER 13 H SER 13 10.272 -5.854 -3.568 84 HA SER 13 HA SER 13 10.320 -6.939 -6.279 85 HB2 SER 13 HB3 SER 13 10.042 -8.283 -4.124 86 HB3 SER 13 HB2 SER 13 8.389 -7.674 -4.070 87 HG SER 13 HG SER 13 7.893 -8.836 -5.800 88 H ILE 14 H ILE 14 8.312 -4.702 -4.514 89 HA ILE 14 HA ILE 14 6.076 -4.951 -6.439 90 HB ILE 14 HB ILE 14 5.110 -3.091 -5.062 91 HG12 ILE 14 HG13 ILE 14 7.397 -3.550 -3.167 92 HG13 ILE 14 HG12 ILE 14 7.519 -2.318 -4.418 93 HG21 ILE 14 HG21 ILE 14 4.542 -4.517 -3.248 94 HG22 ILE 14 HG22 ILE 14 6.109 -5.324 -3.291 95 HG23 ILE 14 HG23 ILE 14 4.931 -5.625 -4.562 96 HD11 ILE 14 HD11 ILE 14 5.714 -1.078 -3.551 97 HD12 ILE 14 HD12 ILE 14 6.597 -1.589 -2.112 98 HD13 ILE 14 HD13 ILE 14 5.125 -2.435 -2.590 99 H GLY 15 H GLY 15 9.013 -3.203 -6.189 100 HA2 GLY 15 HA3 GLY 15 9.877 -1.401 -7.426 101 HA3 GLY 15 HA2 GLY 15 8.705 -1.859 -8.661 102 H GLU 16 H GLU 16 8.155 0.316 -9.172 103 HA GLU 16 HA GLU 16 6.487 1.666 -7.089 104 HB2 GLU 16 HB3 GLU 16 8.395 3.039 -7.068 105 HB3 GLU 16 HB2 GLU 16 8.686 2.829 -8.792 106 HG2 GLU 16 HG3 GLU 16 6.136 4.155 -7.908 107 HG3 GLU 16 HG2 GLU 16 7.629 5.090 -7.873 108 H VAL 17 H VAL 17 4.451 1.813 -7.845 109 HA VAL 17 HA VAL 17 3.900 1.542 -10.722 110 HB VAL 17 HB VAL 17 1.493 1.753 -9.932 111 HG11 VAL 17 HG11 VAL 17 3.283 -0.344 -8.669 112 HG12 VAL 17 HG12 VAL 17 2.497 -0.442 -10.244 113 HG13 VAL 17 HG13 VAL 17 1.527 -0.467 -8.772 114 HG21 VAL 17 HG21 VAL 17 2.185 3.070 -7.858 115 HG22 VAL 17 HG22 VAL 17 2.741 1.541 -7.179 116 HG23 VAL 17 HG23 VAL 17 1.036 1.763 -7.576 117 H THR 18 H THR 18 1.779 3.237 -11.173 118 HA THR 18 HA THR 18 3.083 5.767 -11.575 119 HB THR 18 HB THR 18 0.285 6.201 -11.646 120 HG1 THR 18 HG1 THR 18 -0.532 4.402 -12.511 121 HG21 THR 18 HG21 THR 18 0.666 6.036 -14.129 122 HG22 THR 18 HG22 THR 18 2.297 5.459 -13.786 123 HG23 THR 18 HG23 THR 18 1.813 7.083 -13.295 124 H LYS 19 H LYS 19 3.251 7.487 -10.216 125 HA LYS 19 HA LYS 19 2.595 7.281 -7.455 126 HB2 LYS 19 HB3 LYS 19 2.595 10.056 -8.332 127 HB3 LYS 19 HB2 LYS 19 3.786 9.211 -7.344 128 HG2 LYS 19 HG3 LYS 19 4.470 8.154 -9.696 129 HG3 LYS 19 HG2 LYS 19 3.736 9.635 -10.307 130 HD2 LYS 19 HD3 LYS 19 5.899 10.391 -9.980 131 HD3 LYS 19 HD2 LYS 19 5.239 10.730 -8.381 132 HE2 LYS 19 HE3 LYS 19 6.008 8.352 -7.746 133 HE3 LYS 19 HE2 LYS 19 6.949 8.387 -9.236 134 HZ1 LYS 19 HZ1 LYS 19 8.487 9.335 -7.933 135 HZ2 LYS 19 HZ2 LYS 19 7.363 9.814 -6.753 136 HZ3 LYS 19 HZ3 LYS 19 7.578 10.750 -8.155 137 H GLU 20 H GLU 20 1.033 9.192 -10.015 138 HA GLU 20 HA GLU 20 -1.216 10.092 -8.700 139 HB2 GLU 20 HB3 GLU 20 -0.960 10.740 -10.946 140 HB3 GLU 20 HB2 GLU 20 -0.856 9.065 -11.495 141 HG2 GLU 20 HG3 GLU 20 -3.252 8.775 -10.710 142 HG3 GLU 20 HG2 GLU 20 -3.302 10.516 -10.440 143 H ASP 21 H ASP 21 -0.460 6.848 -9.822 144 HA ASP 21 HA ASP 21 -3.004 5.641 -9.507 145 HB2 ASP 21 HB3 ASP 21 -0.661 4.629 -10.248 146 HB3 ASP 21 HB2 ASP 21 -0.555 4.182 -8.547 147 H LEU 22 H LEU 22 -0.512 6.445 -7.147 148 HA LEU 22 HA LEU 22 -1.986 5.343 -4.897 149 HB2 LEU 22 HB3 LEU 22 0.118 7.474 -4.629 150 HB3 LEU 22 HB2 LEU 22 -0.220 6.114 -3.558 151 HG LEU 22 HG LEU 22 1.019 5.970 -6.321 152 HD11 LEU 22 HD11 LEU 22 2.635 6.666 -4.679 153 HD12 LEU 22 HD12 LEU 22 2.909 4.949 -4.974 154 HD13 LEU 22 HD13 LEU 22 2.057 5.469 -3.520 155 HD21 LEU 22 HD21 LEU 22 0.128 3.811 -4.388 156 HD22 LEU 22 HD22 LEU 22 1.243 3.512 -5.721 157 HD23 LEU 22 HD23 LEU 22 -0.405 4.043 -6.053 158 H LEU 23 H LEU 23 -1.992 8.225 -6.719 159 HA LEU 23 HA LEU 23 -3.287 9.876 -4.682 160 HB2 LEU 23 HB3 LEU 23 -3.031 10.290 -7.682 161 HB3 LEU 23 HB2 LEU 23 -3.398 11.530 -6.504 162 HG LEU 23 HG LEU 23 -0.803 9.978 -6.784 163 HD11 LEU 23 HD11 LEU 23 -0.952 12.962 -6.576 164 HD12 LEU 23 HD12 LEU 23 -1.548 12.245 -8.071 165 HD13 LEU 23 HD13 LEU 23 0.112 11.953 -7.556 166 HD21 LEU 23 HD21 LEU 23 -0.134 11.565 -4.820 167 HD22 LEU 23 HD22 LEU 23 -1.050 10.108 -4.441 168 HD23 LEU 23 HD23 LEU 23 -1.867 11.671 -4.514 169 H LEU 24 H LEU 24 -4.408 8.436 -7.814 170 HA LEU 24 HA LEU 24 -7.153 9.054 -7.304 171 HB2 LEU 24 HB3 LEU 24 -7.732 7.370 -8.953 172 HB3 LEU 24 HB2 LEU 24 -6.353 8.305 -9.542 173 HG LEU 24 HG LEU 24 -5.045 6.289 -8.272 174 HD11 LEU 24 HD11 LEU 24 -7.326 5.224 -7.775 175 HD12 LEU 24 HD12 LEU 24 -6.163 4.190 -8.598 176 HD13 LEU 24 HD13 LEU 24 -7.465 4.950 -9.509 177 HD21 LEU 24 HD21 LEU 24 -6.159 6.400 -11.086 178 HD22 LEU 24 HD22 LEU 24 -4.971 5.202 -10.579 179 HD23 LEU 24 HD23 LEU 24 -4.565 6.918 -10.543 180 H LYS 25 H LYS 25 -5.158 6.190 -6.515 181 HA LYS 25 HA LYS 25 -7.133 4.571 -5.358 182 HB2 LYS 25 HB3 LYS 25 -4.255 5.102 -4.608 183 HB3 LYS 25 HB2 LYS 25 -5.240 3.996 -3.654 184 HG2 LYS 25 HG3 LYS 25 -5.580 2.533 -5.499 185 HG3 LYS 25 HG2 LYS 25 -5.023 3.738 -6.656 186 HD2 LYS 25 HD3 LYS 25 -2.756 3.496 -5.976 187 HD3 LYS 25 HD2 LYS 25 -3.206 2.637 -4.508 188 HE2 LYS 25 HE3 LYS 25 -2.339 1.079 -6.215 189 HE3 LYS 25 HE2 LYS 25 -4.036 0.749 -5.865 190 HZ1 LYS 25 HZ1 LYS 25 -4.626 1.280 -7.927 191 HZ2 LYS 25 HZ2 LYS 25 -2.978 1.195 -8.327 192 HZ3 LYS 25 HZ3 LYS 25 -3.685 2.690 -7.940 193 H SER 26 H SER 26 -5.418 7.344 -3.983 194 HA SER 26 HA SER 26 -6.810 7.347 -1.449 195 HB2 SER 26 HB3 SER 26 -4.573 8.541 -2.182 196 HB3 SER 26 HB2 SER 26 -5.644 9.810 -2.745 197 HG SER 26 HG SER 26 -4.814 9.391 -0.294 198 H LYS 27 H LYS 27 -8.170 7.529 -4.340 199 HA LYS 27 HA LYS 27 -9.484 9.942 -4.677 200 HB2 LYS 27 HB3 LYS 27 -11.493 8.446 -5.472 201 HB3 LYS 27 HB2 LYS 27 -9.977 8.439 -6.365 202 HG2 LYS 27 HG3 LYS 27 -9.481 6.288 -5.786 203 HG3 LYS 27 HG2 LYS 27 -10.137 6.464 -4.152 204 HD2 LYS 27 HD3 LYS 27 -11.527 4.906 -5.403 205 HD3 LYS 27 HD2 LYS 27 -12.443 6.394 -5.153 206 HE2 LYS 27 HE3 LYS 27 -11.820 7.170 -7.405 207 HE3 LYS 27 HE2 LYS 27 -10.879 5.702 -7.658 208 HZ1 LYS 27 HZ1 LYS 27 -13.768 6.077 -7.645 209 HZ2 LYS 27 HZ2 LYS 27 -13.188 4.635 -6.960 210 HZ3 LYS 27 HZ3 LYS 27 -12.814 5.025 -8.572 211 H GLY 28 H GLY 28 -10.689 7.279 -2.528 212 HA2 GLY 28 HA3 GLY 28 -11.454 8.556 -0.348 213 HA3 GLY 28 HA2 GLY 28 -12.626 9.258 -1.448 214 H THR 29 H THR 29 -11.950 6.069 -2.368 215 HA THR 29 HA THR 29 -13.822 4.842 -0.486 216 HB THR 29 HB THR 29 -15.070 4.315 -2.937 217 HG1 THR 29 HG1 THR 29 -14.957 7.086 -2.664 218 HG21 THR 29 HG21 THR 29 -16.078 4.630 -0.638 219 HG22 THR 29 HG22 THR 29 -16.968 5.408 -1.944 220 HG23 THR 29 HG23 THR 29 -15.928 6.368 -0.892 221 H CYS 30 H CYS 30 -13.897 2.563 -0.684 222 HA CYS 30 HA CYS 30 -11.593 1.261 -1.838 223 HB2 CYS 30 HB3 CYS 30 -12.744 0.292 0.105 224 HB3 CYS 30 HB2 CYS 30 -14.225 0.115 -0.833 225 H GLN 31 H GLN 31 -11.449 0.175 -3.855 226 HA GLN 31 HA GLN 31 -13.466 0.950 -5.816 227 HB2 GLN 31 HB3 GLN 31 -12.050 -0.303 -7.423 228 HB3 GLN 31 HB2 GLN 31 -11.147 0.902 -6.515 229 HG2 GLN 31 HG3 GLN 31 -9.764 -1.010 -6.448 230 HG3 GLN 31 HG2 GLN 31 -10.578 -1.025 -4.892 231 HE21 GLN 31 HE21 GLN 31 -12.619 -1.856 -7.576 232 HE22 GLN 31 HE22 GLN 31 -12.613 -3.533 -7.326 233 H SER 32 H SER 32 -13.159 -1.663 -3.674 234 HA SER 32 HA SER 32 -14.968 -3.330 -5.387 235 HB2 SER 32 HB3 SER 32 -13.060 -4.112 -3.172 236 HB3 SER 32 HB2 SER 32 -14.262 -5.208 -3.846 237 HG SER 32 HG SER 32 -13.293 -4.890 -5.885 238 H CYS 33 H CYS 33 -14.759 -1.425 -2.550 239 HA CYS 33 HA CYS 33 -17.406 -2.503 -1.650 240 HB2 CYS 33 HB3 CYS 33 -15.267 -1.349 0.161 241 HB3 CYS 33 HB2 CYS 33 -16.784 -2.084 0.652 242 H GLY 34 H GLY 34 -15.413 0.294 -2.348 243 HA2 GLY 34 HA3 GLY 34 -15.965 2.578 -2.366 244 HA3 GLY 34 HA2 GLY 34 -17.596 2.034 -2.758 245 H VAL 35 H VAL 35 -15.403 2.245 0.041 246 HA VAL 35 HA VAL 35 -17.788 2.681 1.773 247 HB VAL 35 HB VAL 35 -16.168 2.062 3.636 248 HG11 VAL 35 HG11 VAL 35 -17.368 0.405 1.538 249 HG12 VAL 35 HG12 VAL 35 -17.335 0.151 3.280 250 HG13 VAL 35 HG13 VAL 35 -15.983 -0.387 2.286 251 HG21 VAL 35 HG21 VAL 35 -14.143 2.610 2.152 252 HG22 VAL 35 HG22 VAL 35 -14.452 1.073 1.351 253 HG23 VAL 35 HG23 VAL 35 -14.061 1.110 3.068 254 H THR 36 H THR 36 -14.506 4.070 1.158 255 HA THR 36 HA THR 36 -15.229 6.730 1.431 256 HB THR 36 HB THR 36 -16.080 6.593 3.615 257 HG1 THR 36 HG1 THR 36 -13.695 7.002 4.739 258 HG21 THR 36 HG21 THR 36 -15.744 4.536 4.555 259 HG22 THR 36 HG22 THR 36 -14.357 5.317 5.314 260 HG23 THR 36 HG23 THR 36 -14.138 4.368 3.845 261 H GLY 37 H GLY 37 -13.260 8.047 2.562 262 HA2 GLY 37 HA3 GLY 37 -10.842 7.002 1.227 263 HA3 GLY 37 HA2 GLY 37 -11.075 8.642 1.794 264 HA PRO 38 HA PRO 38 -9.006 8.205 5.586 265 HB2 PRO 38 HB3 PRO 38 -11.213 7.946 7.419 266 HB3 PRO 38 HB2 PRO 38 -10.177 9.350 7.131 267 HG2 PRO 38 HG3 PRO 38 -12.869 8.803 6.140 268 HG3 PRO 38 HG2 PRO 38 -11.981 10.333 6.193 269 HD2 PRO 38 HD3 PRO 38 -12.522 8.970 3.863 270 HD3 PRO 38 HD2 PRO 38 -11.137 10.066 4.059 271 H ASN 39 H ASN 39 -8.028 6.450 6.309 272 HA ASN 39 HA ASN 39 -7.695 4.304 7.183 273 HB2 ASN 39 HB3 ASN 39 -10.206 4.905 8.114 274 HB3 ASN 39 HB2 ASN 39 -10.526 3.472 7.139 275 HD21 ASN 39 HD21 ASN 39 -10.772 1.927 8.830 276 HD22 ASN 39 HD22 ASN 39 -9.537 1.547 9.930 277 H LEU 40 H LEU 40 -8.120 5.011 4.251 278 HA LEU 40 HA LEU 40 -9.232 2.528 3.146 279 HB2 LEU 40 HB3 LEU 40 -8.053 5.031 2.001 280 HB3 LEU 40 HB2 LEU 40 -7.994 3.585 1.007 281 HG LEU 40 HG LEU 40 -10.457 4.967 2.110 282 HD11 LEU 40 HD11 LEU 40 -9.319 5.791 -0.003 283 HD12 LEU 40 HD12 LEU 40 -10.994 5.281 -0.226 284 HD13 LEU 40 HD13 LEU 40 -9.678 4.224 -0.719 285 HD21 LEU 40 HD21 LEU 40 -11.216 2.779 2.288 286 HD22 LEU 40 HD22 LEU 40 -10.062 2.172 1.097 287 HD23 LEU 40 HD23 LEU 40 -11.506 3.031 0.569 288 H TRP 41 H TRP 41 -7.702 1.404 1.449 289 HA TRP 41 HA TRP 41 -4.873 1.387 2.135 290 HB2 TRP 41 HB3 TRP 41 -6.603 -0.283 3.654 291 HB3 TRP 41 HB2 TRP 41 -5.735 -1.341 2.546 292 HD1 TRP 41 HD TRP 41 -2.947 -0.115 2.388 293 HE1 TRP 41 HE1 TRP 41 -1.395 0.014 4.443 294 HE3 TRP 41 HE3 TRP 41 -6.402 -0.473 6.129 295 HZ2 TRP 41 HZ2 TRP 41 -1.594 -0.028 7.298 296 HZ3 TRP 41 HZ3 TRP 41 -5.697 -0.427 8.504 297 HH2 TRP 41 HH2 TRP 41 -3.298 -0.206 9.092 298 H ALA 42 H ALA 42 -4.518 1.633 -0.084 299 HA ALA 42 HA ALA 42 -5.727 -0.319 -1.931 300 HB1 ALA 42 HB1 ALA 42 -5.655 2.038 -2.598 301 HB2 ALA 42 HB2 ALA 42 -4.665 1.066 -3.683 302 HB3 ALA 42 HB3 ALA 42 -3.901 2.044 -2.429 303 H CYS 43 H CYS 43 -4.587 -1.832 -3.083 304 HA CYS 43 HA CYS 43 -2.243 -2.977 -1.939 305 HB2 CYS 43 HB3 CYS 43 -3.979 -4.041 -3.523 306 HB3 CYS 43 HB2 CYS 43 -3.056 -3.300 -4.831 307 H LEU 44 H LEU 44 -0.046 -2.955 -2.755 308 HA LEU 44 HA LEU 44 0.554 -0.723 -4.647 309 HB2 LEU 44 HB3 LEU 44 0.894 -0.109 -2.197 310 HB3 LEU 44 HB2 LEU 44 2.187 -1.303 -2.173 311 HG LEU 44 HG LEU 44 3.035 -0.000 -4.314 312 HD11 LEU 44 HD11 LEU 44 2.532 2.437 -4.116 313 HD12 LEU 44 HD12 LEU 44 1.321 2.056 -2.894 314 HD13 LEU 44 HD13 LEU 44 1.114 1.482 -4.547 315 HD21 LEU 44 HD21 LEU 44 3.267 1.221 -1.546 316 HD22 LEU 44 HD22 LEU 44 4.411 1.416 -2.873 317 HD23 LEU 44 HD23 LEU 44 4.202 -0.161 -2.114 318 H GLN 45 H GLN 45 0.485 -3.455 -5.435 319 HA GLN 45 HA GLN 45 3.319 -4.312 -5.388 320 HB2 GLN 45 HB3 GLN 45 1.182 -5.727 -6.949 321 HB3 GLN 45 HB2 GLN 45 2.638 -6.387 -6.201 322 HG2 GLN 45 HG3 GLN 45 0.853 -5.139 -4.235 323 HG3 GLN 45 HG2 GLN 45 0.080 -6.458 -5.111 324 HE21 GLN 45 HE21 GLN 45 1.726 -5.960 -2.327 325 HE22 GLN 45 HE22 GLN 45 2.554 -7.434 -2.187 326 H VAL 46 H VAL 46 4.571 -4.498 -7.246 327 HA VAL 46 HA VAL 46 4.691 -2.485 -9.086 328 HB VAL 46 HB VAL 46 6.311 -4.424 -8.810 329 HG11 VAL 46 HG11 VAL 46 4.441 -6.130 -9.249 330 HG12 VAL 46 HG12 VAL 46 5.984 -6.421 -10.054 331 HG13 VAL 46 HG13 VAL 46 4.636 -5.731 -10.956 332 HG21 VAL 46 HG21 VAL 46 7.084 -4.285 -11.158 333 HG22 VAL 46 HG22 VAL 46 6.594 -2.703 -10.553 334 HG23 VAL 46 HG23 VAL 46 5.525 -3.607 -11.625 335 H ALA 47 H ALA 47 2.275 -5.028 -9.162 336 HA ALA 47 HA ALA 47 1.128 -3.701 -11.560 337 HB1 ALA 47 HB1 ALA 47 2.502 -5.491 -12.493 338 HB2 ALA 47 HB2 ALA 47 0.795 -5.883 -12.695 339 HB3 ALA 47 HB3 ALA 47 1.736 -6.666 -11.425 340 H CYS 48 H CYS 48 -0.050 -3.369 -9.156 341 HA CYS 48 HA CYS 48 -2.513 -4.999 -9.461 342 HB2 CYS 48 HB3 CYS 48 -0.961 -5.963 -7.645 343 HB3 CYS 48 HB2 CYS 48 -1.354 -4.515 -6.720 344 HA PRO 49 HA PRO 49 -3.418 -0.567 -8.629 345 HB2 PRO 49 HB3 PRO 49 -4.856 -0.040 -10.854 346 HB3 PRO 49 HB2 PRO 49 -3.081 -0.062 -10.872 347 HG2 PRO 49 HG3 PRO 49 -5.007 -2.087 -11.873 348 HG3 PRO 49 HG2 PRO 49 -3.416 -1.630 -12.503 349 HD2 PRO 49 HD3 PRO 49 -3.967 -3.881 -10.888 350 HD3 PRO 49 HD2 PRO 49 -2.356 -3.216 -11.232 351 H TYR 50 H TYR 50 -4.868 -0.948 -6.927 352 HA TYR 50 HA TYR 50 -7.694 -0.852 -7.518 353 HB2 TYR 50 HB3 TYR 50 -6.501 -3.435 -6.470 354 HB3 TYR 50 HB2 TYR 50 -8.192 -3.007 -6.216 355 HD1 TYR 50 HD1 TYR 50 -9.482 -2.216 -8.405 356 HD2 TYR 50 HD2 TYR 50 -5.940 -4.646 -8.387 357 HE1 TYR 50 HE1 TYR 50 -10.035 -3.038 -10.677 358 HE2 TYR 50 HE2 TYR 50 -6.494 -5.469 -10.659 359 HH TYR 50 HH TYR 50 -9.506 -5.103 -12.062 360 H VAL 51 H VAL 51 -8.632 0.204 -5.761 361 HA VAL 51 HA VAL 51 -6.919 0.448 -3.349 362 HB VAL 51 HB VAL 51 -7.407 2.592 -4.167 363 HG11 VAL 51 HG11 VAL 51 -10.296 1.702 -4.420 364 HG12 VAL 51 HG12 VAL 51 -9.168 1.927 -5.755 365 HG13 VAL 51 HG13 VAL 51 -9.685 3.312 -4.796 366 HG21 VAL 51 HG21 VAL 51 -9.699 2.458 -2.261 367 HG22 VAL 51 HG22 VAL 51 -8.335 3.573 -2.311 368 HG23 VAL 51 HG23 VAL 51 -8.119 1.950 -1.664 369 H GLY 52 H GLY 52 -7.389 -1.125 -1.934 370 HA2 GLY 52 HA3 GLY 52 -10.140 -2.089 -1.618 371 HA3 GLY 52 HA2 GLY 52 -8.723 -2.716 -0.786 372 H CYS 53 H CYS 53 -10.513 -2.546 0.980 373 HA CYS 53 HA CYS 53 -10.702 0.178 2.154 374 HB2 CYS 53 HB3 CYS 53 -11.995 -1.457 3.911 375 HB3 CYS 53 HB2 CYS 53 -12.807 -0.697 2.567 376 H GLY 54 H GLY 54 -10.615 0.150 4.536 377 HA2 GLY 54 HA3 GLY 54 -8.383 -1.541 5.585 378 HA3 GLY 54 HA2 GLY 54 -8.642 0.144 6.093 379 H GLU 55 H GLU 55 -8.877 -2.081 7.954 380 HA GLU 55 HA GLU 55 -11.153 -3.334 8.537 381 HB2 GLU 55 HB3 GLU 55 -11.043 -2.706 10.847 382 HB3 GLU 55 HB2 GLU 55 -9.390 -2.732 10.240 383 HG2 GLU 55 HG3 GLU 55 -9.689 -0.227 9.777 384 HG3 GLU 55 HG2 GLU 55 -11.131 -0.330 10.790 385 H SER 56 H SER 56 -10.953 0.155 8.372 386 HA SER 56 HA SER 56 -13.271 1.216 9.234 387 HB2 SER 56 HB3 SER 56 -11.630 1.648 6.881 388 HB3 SER 56 HB2 SER 56 -13.311 1.982 6.520 389 HG SER 56 HG SER 56 -12.629 2.935 8.955 390 H PHE 57 H PHE 57 -13.030 -0.917 6.399 391 HA PHE 57 HA PHE 57 -15.997 -1.337 6.583 392 HB2 PHE 57 HB3 PHE 57 -15.368 -0.340 4.448 393 HB3 PHE 57 HB2 PHE 57 -14.210 -1.617 4.163 394 HD1 PHE 57 HD1 PHE 57 -17.814 -1.301 5.187 395 HD2 PHE 57 HD2 PHE 57 -14.913 -3.369 2.786 396 HE1 PHE 57 HE1 PHE 57 -19.607 -2.733 4.253 397 HE2 PHE 57 HE2 PHE 57 -16.709 -4.800 1.852 398 HZ PHE 57 HZ PHE 57 -19.056 -4.482 2.584 399 H ALA 58 H ALA 58 -13.894 -3.228 4.613 400 HA ALA 58 HA ALA 58 -14.194 -5.547 6.495 401 HB1 ALA 58 HB1 ALA 58 -15.594 -5.797 4.459 402 HB2 ALA 58 HB2 ALA 58 -14.306 -6.999 4.508 403 HB3 ALA 58 HB3 ALA 58 -14.157 -5.590 3.458 404 H ASP 59 H ASP 59 -12.086 -3.391 5.262 405 HA ASP 59 HA ASP 59 -9.771 -3.335 4.992 406 HB2 ASP 59 HB3 ASP 59 -9.716 -4.066 7.284 407 HB3 ASP 59 HB2 ASP 59 -10.043 -5.726 6.829 408 H HIS 60 H HIS 60 -10.576 -4.148 2.655 409 HA HIS 60 HA HIS 60 -10.179 -6.794 1.784 410 HB2 HIS 60 HB3 HIS 60 -10.021 -4.141 0.532 411 HB3 HIS 60 HB2 HIS 60 -8.963 -5.308 -0.232 412 HD2 HIS 60 HD2 HIS 60 -10.545 -7.870 -0.765 413 HE1 HIS 60 HE1 HIS 60 -14.000 -5.615 -1.634 414 HE2 HIS 60 HE2 HIS 60 -12.913 -7.892 -1.845 415 H SER 61 H SER 61 -7.983 -4.406 2.923 416 HA SER 61 HA SER 61 -5.483 -5.119 1.975 417 HB2 SER 61 HB3 SER 61 -6.294 -3.483 3.905 418 HB3 SER 61 HB2 SER 61 -5.789 -4.808 4.941 419 HG SER 61 HG SER 61 -4.061 -3.391 4.534 420 H THR 62 H THR 62 -7.498 -6.971 4.210 421 HA THR 62 HA THR 62 -5.317 -8.881 4.707 422 HB THR 62 HB THR 62 -7.303 -10.095 5.886 423 HG1 THR 62 HG1 THR 62 -8.377 -7.742 4.992 424 HG21 THR 62 HG21 THR 62 -5.640 -9.239 7.291 425 HG22 THR 62 HG22 THR 62 -7.062 -8.336 7.811 426 HG23 THR 62 HG23 THR 62 -5.886 -7.583 6.734 427 H ILE 63 H ILE 63 -8.716 -9.321 3.634 428 HA ILE 63 HA ILE 63 -8.266 -11.880 2.579 429 HB ILE 63 HB ILE 63 -10.271 -11.395 1.090 430 HG12 ILE 63 HG13 ILE 63 -10.387 -8.867 2.735 431 HG13 ILE 63 HG12 ILE 63 -9.714 -8.918 1.106 432 HG21 ILE 63 HG21 ILE 63 -10.351 -10.977 4.090 433 HG22 ILE 63 HG22 ILE 63 -10.620 -12.478 3.210 434 HG23 ILE 63 HG23 ILE 63 -11.803 -11.178 3.112 435 HD11 ILE 63 HD11 ILE 63 -11.798 -9.607 0.158 436 HD12 ILE 63 HD12 ILE 63 -12.186 -8.286 1.260 437 HD13 ILE 63 HD13 ILE 63 -12.478 -9.955 1.747 438 H HIS 64 H HIS 64 -7.737 -8.732 1.184 439 HA HIS 64 HA HIS 64 -7.253 -9.654 -1.516 440 HB2 HIS 64 HB3 HIS 64 -7.811 -7.286 -1.022 441 HB3 HIS 64 HB2 HIS 64 -6.276 -7.119 -0.165 442 HD1 HIS 64 HD1 HIS 64 -7.738 -6.938 -3.516 443 HD2 HIS 64 HD2 HIS 64 -3.947 -7.601 -1.917 444 HE1 HIS 64 HE1 HIS 64 -6.093 -6.621 -5.417 445 H ALA 65 H ALA 65 -5.154 -8.940 1.286 446 HA ALA 65 HA ALA 65 -2.722 -9.640 -0.200 447 HB1 ALA 65 HB1 ALA 65 -1.688 -9.632 2.110 448 HB2 ALA 65 HB2 ALA 65 -3.287 -9.284 2.764 449 HB3 ALA 65 HB3 ALA 65 -2.502 -8.125 1.693 450 H GLN 66 H GLN 66 -5.227 -11.159 1.434 451 HA GLN 66 HA GLN 66 -3.906 -13.673 2.100 452 HB2 GLN 66 HB3 GLN 66 -5.699 -12.862 3.478 453 HB3 GLN 66 HB2 GLN 66 -6.705 -12.597 2.083 454 HG2 GLN 66 HG3 GLN 66 -7.656 -14.555 2.672 455 HG3 GLN 66 HG2 GLN 66 -6.287 -15.263 1.817 456 HE21 GLN 66 HE21 GLN 66 -5.635 -17.022 3.092 457 HE22 GLN 66 HE22 GLN 66 -5.344 -16.945 4.763 458 H ALA 67 H ALA 67 -6.026 -12.424 -0.454 459 HA ALA 67 HA ALA 67 -6.284 -15.078 -1.687 460 HB1 ALA 67 HB1 ALA 67 -7.511 -12.390 -2.085 461 HB2 ALA 67 HB2 ALA 67 -8.281 -13.972 -2.000 462 HB3 ALA 67 HB3 ALA 67 -7.461 -13.470 -3.478 463 H LYS 68 H LYS 68 -4.833 -11.931 -2.447 464 HA LYS 68 HA LYS 68 -3.501 -13.128 -4.817 465 HB2 LYS 68 HB3 LYS 68 -3.552 -10.261 -3.839 466 HB3 LYS 68 HB2 LYS 68 -2.924 -10.825 -5.385 467 HG2 LYS 68 HG3 LYS 68 -5.040 -10.314 -6.121 468 HG3 LYS 68 HG2 LYS 68 -5.400 -11.920 -5.486 469 HD2 LYS 68 HD3 LYS 68 -6.232 -11.020 -3.429 470 HD3 LYS 68 HD2 LYS 68 -5.631 -9.411 -3.815 471 HE2 LYS 68 HE3 LYS 68 -7.331 -8.982 -5.324 472 HE3 LYS 68 HE2 LYS 68 -7.528 -10.684 -5.746 473 HZ1 LYS 68 HZ1 LYS 68 -9.267 -9.467 -4.252 474 HZ2 LYS 68 HZ2 LYS 68 -8.162 -9.829 -3.015 475 HZ3 LYS 68 HZ3 LYS 68 -8.842 -11.079 -3.943 476 H LYS 69 H LYS 69 -2.903 -13.028 -1.645 477 HA LYS 69 HA LYS 69 -0.978 -13.169 -0.337 478 HB2 LYS 69 HB3 LYS 69 -0.198 -14.206 -3.023 479 HB3 LYS 69 HB2 LYS 69 1.107 -13.866 -1.889 480 HG2 LYS 69 HG3 LYS 69 0.186 -16.231 -1.793 481 HG3 LYS 69 HG2 LYS 69 0.201 -15.369 -0.255 482 HD2 LYS 69 HD3 LYS 69 -2.109 -15.134 -0.202 483 HD3 LYS 69 HD2 LYS 69 -2.260 -15.171 -1.957 484 HE2 LYS 69 HE3 LYS 69 -3.099 -17.245 -0.736 485 HE3 LYS 69 HE2 LYS 69 -1.935 -17.541 -2.026 486 HZ1 LYS 69 HZ1 LYS 69 -1.091 -17.185 0.785 487 HZ2 LYS 69 HZ2 LYS 69 -0.221 -17.877 -0.500 488 HZ3 LYS 69 HZ3 LYS 69 -1.542 -18.702 0.177 489 H HIS 70 H HIS 70 -1.589 -10.606 -2.036 490 HA HIS 70 HA HIS 70 1.063 -9.391 -2.353 491 HB2 HIS 70 HB3 HIS 70 -1.738 -8.211 -2.339 492 HB3 HIS 70 HB2 HIS 70 -0.280 -7.280 -2.658 493 HD2 HIS 70 HD2 HIS 70 0.964 -10.035 -4.475 494 HE1 HIS 70 HE1 HIS 70 -2.071 -8.770 -7.119 495 HE2 HIS 70 HE2 HIS 70 0.028 -10.173 -6.901 496 H ASN 71 H ASN 71 2.260 -8.761 -0.597 497 HA ASN 71 HA ASN 71 0.918 -8.527 2.016 498 HB2 ASN 71 HB3 ASN 71 3.356 -8.196 2.762 499 HB3 ASN 71 HB2 ASN 71 2.894 -9.771 2.120 500 HD21 ASN 71 HD21 ASN 71 4.953 -10.332 1.205 501 HD22 ASN 71 HD22 ASN 71 5.649 -9.469 -0.081 502 H LEU 72 H LEU 72 2.896 -6.453 -0.102 503 HA LEU 72 HA LEU 72 2.686 -4.221 1.751 504 HB2 LEU 72 HB3 LEU 72 3.739 -4.446 -1.065 505 HB3 LEU 72 HB2 LEU 72 3.811 -2.964 -0.112 506 HG LEU 72 HG LEU 72 4.899 -5.596 0.900 507 HD11 LEU 72 HD11 LEU 72 6.194 -5.209 -1.042 508 HD12 LEU 72 HD12 LEU 72 7.152 -4.506 0.260 509 HD13 LEU 72 HD13 LEU 72 6.197 -3.464 -0.796 510 HD21 LEU 72 HD21 LEU 72 6.346 -3.819 2.184 511 HD22 LEU 72 HD22 LEU 72 4.694 -4.116 2.718 512 HD23 LEU 72 HD23 LEU 72 5.061 -2.699 1.735 513 H THR 73 H THR 73 1.336 -2.591 1.762 514 HA THR 73 HA THR 73 -0.329 -1.876 -0.558 515 HB THR 73 HB THR 73 -2.421 -2.237 0.454 516 HG1 THR 73 HG1 THR 73 -0.984 -2.375 2.891 517 HG21 THR 73 HG21 THR 73 -1.309 -4.408 -0.028 518 HG22 THR 73 HG22 THR 73 -2.449 -4.526 1.312 519 HG23 THR 73 HG23 THR 73 -0.717 -4.449 1.633 520 H VAL 74 H VAL 74 -1.337 0.349 -0.074 521 HA VAL 74 HA VAL 74 0.243 1.688 2.094 522 HB VAL 74 HB VAL 74 1.192 2.446 0.079 523 HG11 VAL 74 HG11 VAL 74 -0.463 1.578 -1.481 524 HG12 VAL 74 HG12 VAL 74 -0.260 3.301 -1.795 525 HG13 VAL 74 HG13 VAL 74 -1.669 2.727 -0.905 526 HG21 VAL 74 HG21 VAL 74 0.346 4.236 1.738 527 HG22 VAL 74 HG22 VAL 74 -0.941 4.538 0.574 528 HG23 VAL 74 HG23 VAL 74 0.743 4.781 0.110 529 H ASN 75 H ASN 75 -0.845 2.732 3.579 530 HA ASN 75 HA ASN 75 -3.758 2.927 3.450 531 HB2 ASN 75 HB3 ASN 75 -1.987 2.589 5.498 532 HB3 ASN 75 HB2 ASN 75 -2.261 4.325 5.614 533 HD21 ASN 75 HD21 ASN 75 -3.725 4.519 7.338 534 HD22 ASN 75 HD22 ASN 75 -5.193 3.674 7.448 535 H LEU 76 H LEU 76 -4.245 4.468 1.838 536 HA LEU 76 HA LEU 76 -2.880 6.976 1.553 537 HB2 LEU 76 HB3 LEU 76 -5.761 6.438 0.806 538 HB3 LEU 76 HB2 LEU 76 -4.638 7.557 0.042 539 HG LEU 76 HG LEU 76 -3.531 4.865 0.080 540 HD11 LEU 76 HD11 LEU 76 -5.080 3.735 -1.348 541 HD12 LEU 76 HD12 LEU 76 -6.094 5.166 -1.490 542 HD13 LEU 76 HD13 LEU 76 -5.991 4.306 0.045 543 HD21 LEU 76 HD21 LEU 76 -2.934 5.358 -2.114 544 HD22 LEU 76 HD22 LEU 76 -3.056 6.971 -1.417 545 HD23 LEU 76 HD23 LEU 76 -4.372 6.330 -2.397 546 H THR 77 H THR 77 -4.325 5.965 4.192 547 HA THR 77 HA THR 77 -5.902 8.387 4.818 548 HB THR 77 HB THR 77 -5.229 5.967 6.515 549 HG1 THR 77 HG1 THR 77 -6.661 5.986 4.455 550 HG21 THR 77 HG21 THR 77 -7.143 8.281 6.878 551 HG22 THR 77 HG22 THR 77 -5.796 7.833 7.921 552 HG23 THR 77 HG23 THR 77 -7.221 6.799 7.831 553 H THR 78 H THR 78 -2.919 6.734 5.741 554 HA THR 78 HA THR 78 -2.079 9.207 7.204 555 HB THR 78 HB THR 78 -1.093 6.387 7.680 556 HG1 THR 78 HG1 THR 78 -3.102 6.341 8.443 557 HG21 THR 78 HG21 THR 78 -0.692 9.037 9.076 558 HG22 THR 78 HG22 THR 78 0.540 7.972 8.403 559 HG23 THR 78 HG23 THR 78 -0.341 7.495 9.853 560 H PHE 79 H PHE 79 -1.371 7.130 4.573 561 HA PHE 79 HA PHE 79 0.257 7.436 2.899 562 HB2 PHE 79 HB3 PHE 79 0.257 9.883 4.062 563 HB3 PHE 79 HB2 PHE 79 1.889 9.364 4.476 564 HD1 PHE 79 HD1 PHE 79 0.293 11.291 2.205 565 HD2 PHE 79 HD2 PHE 79 2.843 7.834 2.255 566 HE1 PHE 79 HE1 PHE 79 1.035 11.803 -0.105 567 HE2 PHE 79 HE2 PHE 79 3.583 8.347 -0.053 568 HZ PHE 79 HZ PHE 79 2.680 10.331 -1.234 569 H ARG 80 H ARG 80 0.506 5.279 4.410 570 HA ARG 80 HA ARG 80 3.440 4.967 4.664 571 HB2 ARG 80 HB3 ARG 80 2.597 3.392 6.742 572 HB3 ARG 80 HB2 ARG 80 3.282 5.000 6.944 573 HG2 ARG 80 HG3 ARG 80 1.192 5.985 7.300 574 HG3 ARG 80 HG2 ARG 80 0.330 4.714 6.432 575 HD2 ARG 80 HD3 ARG 80 0.533 3.188 8.224 576 HD3 ARG 80 HD2 ARG 80 1.809 4.124 8.994 577 HE ARG 80 HE ARG 80 0.116 5.756 9.693 578 HH11 ARG 80 HH11 ARG 80 -1.954 5.956 10.553 579 HH12 ARG 80 HH12 ARG 80 -3.154 4.762 10.189 580 HH21 ARG 80 HH21 ARG 80 -1.055 2.860 8.198 581 HH22 ARG 80 HH22 ARG 80 -2.646 3.016 8.861 582 H LEU 81 H LEU 81 3.707 2.389 5.122 583 HA LEU 81 HA LEU 81 1.827 1.083 3.204 584 HB2 LEU 81 HB3 LEU 81 4.754 1.005 3.504 585 HB3 LEU 81 HB2 LEU 81 4.010 -0.547 3.173 586 HG LEU 81 HG LEU 81 3.165 1.815 1.554 587 HD11 LEU 81 HD11 LEU 81 5.072 1.387 -0.021 588 HD12 LEU 81 HD12 LEU 81 5.799 0.361 1.215 589 HD13 LEU 81 HD13 LEU 81 5.570 2.082 1.522 590 HD21 LEU 81 HD21 LEU 81 2.771 -0.995 1.475 591 HD22 LEU 81 HD22 LEU 81 3.800 -0.614 0.101 592 HD23 LEU 81 HD23 LEU 81 2.242 0.188 0.281 593 H TRP 82 H TRP 82 2.011 -1.418 3.533 594 HA TRP 82 HA TRP 82 2.232 -2.238 6.337 595 HB2 TRP 82 HB3 TRP 82 -0.103 -1.214 5.990 596 HB3 TRP 82 HB2 TRP 82 -0.425 -2.592 4.942 597 HD1 TRP 82 HD TRP 82 1.302 -2.323 8.409 598 HE1 TRP 82 HE1 TRP 82 0.232 -4.074 9.965 599 HE3 TRP 82 HE3 TRP 82 -2.201 -4.290 5.253 600 HZ2 TRP 82 HZ2 TRP 82 -1.838 -6.046 9.887 601 HZ3 TRP 82 HZ3 TRP 82 -3.707 -6.100 6.021 602 HH2 TRP 82 HH2 TRP 82 -3.531 -6.980 8.332 603 H CYS 83 H CYS 83 3.456 -4.026 5.994 604 HA CYS 83 HA CYS 83 3.024 -5.638 3.561 605 HB2 CYS 83 HB3 CYS 83 5.293 -4.884 4.839 606 HB3 CYS 83 HB2 CYS 83 5.028 -6.461 5.574 607 H TYR 84 H TYR 84 1.404 -7.176 3.767 608 HA TYR 84 HA TYR 84 0.731 -8.308 6.365 609 HB2 TYR 84 HB3 TYR 84 -0.756 -8.166 4.187 610 HB3 TYR 84 HB2 TYR 84 0.069 -9.662 3.744 611 HD1 TYR 84 HD1 TYR 84 -0.604 -11.730 4.662 612 HD2 TYR 84 HD2 TYR 84 -1.895 -8.064 6.490 613 HE1 TYR 84 HE1 TYR 84 -2.113 -13.008 6.159 614 HE2 TYR 84 HE2 TYR 84 -3.404 -9.341 7.987 615 HH TYR 84 HH TYR 84 -4.215 -11.339 8.507 616 H ALA 85 H ALA 85 3.398 -8.529 4.567 617 HA ALA 85 HA ALA 85 3.899 -11.408 5.081 618 HB1 ALA 85 HB1 ALA 85 5.260 -9.343 3.351 619 HB2 ALA 85 HB2 ALA 85 4.617 -10.918 2.883 620 HB3 ALA 85 HB3 ALA 85 6.100 -10.817 3.827 621 H CYS 86 H CYS 86 5.901 -8.423 5.232 622 HA CYS 86 HA CYS 86 7.411 -9.353 7.497 623 HB2 CYS 86 HB3 CYS 86 6.897 -6.476 6.647 624 HB3 CYS 86 HB2 CYS 86 8.234 -7.058 7.631 625 H GLU 87 H GLU 87 4.287 -8.307 6.972 626 HA GLU 87 HA GLU 87 2.525 -7.622 8.344 627 HB2 GLU 87 HB3 GLU 87 3.896 -9.870 9.446 628 HB3 GLU 87 HB2 GLU 87 3.340 -8.862 10.771 629 HG2 GLU 87 HG3 GLU 87 1.548 -9.667 8.476 630 HG3 GLU 87 HG2 GLU 87 1.677 -10.606 9.961 631 H LYS 88 H LYS 88 3.850 -5.484 8.127 632 HA LYS 88 HA LYS 88 3.805 -4.234 10.769 633 HB2 LYS 88 HB3 LYS 88 6.180 -3.286 10.381 634 HB3 LYS 88 HB2 LYS 88 6.063 -4.950 10.955 635 HG2 LYS 88 HG3 LYS 88 6.427 -5.823 8.757 636 HG3 LYS 88 HG2 LYS 88 6.253 -4.232 8.022 637 HD2 LYS 88 HD3 LYS 88 8.623 -4.792 8.155 638 HD3 LYS 88 HD2 LYS 88 8.277 -3.476 9.276 639 HE2 LYS 88 HE3 LYS 88 8.037 -6.252 10.347 640 HE3 LYS 88 HE2 LYS 88 9.664 -5.657 10.020 641 HZ1 LYS 88 HZ1 LYS 88 9.135 -5.061 12.228 642 HZ2 LYS 88 HZ2 LYS 88 7.616 -4.440 11.783 643 HZ3 LYS 88 HZ3 LYS 88 9.037 -3.634 11.314 644 H GLU 89 H GLU 89 4.788 -1.808 10.290 645 HA GLU 89 HA GLU 89 3.411 -0.917 7.784 646 HB2 GLU 89 HB3 GLU 89 3.047 -0.131 10.471 647 HB3 GLU 89 HB2 GLU 89 3.923 1.199 9.719 648 HG2 GLU 89 HG3 GLU 89 2.222 1.611 8.161 649 HG3 GLU 89 HG2 GLU 89 1.538 -0.006 8.324 650 H VAL 90 H VAL 90 4.559 0.507 6.376 651 HA VAL 90 HA VAL 90 7.230 1.423 7.291 652 HB VAL 90 HB VAL 90 7.939 0.424 4.837 653 HG11 VAL 90 HG11 VAL 90 8.017 -1.048 7.489 654 HG12 VAL 90 HG12 VAL 90 9.182 0.163 6.951 655 HG13 VAL 90 HG13 VAL 90 9.053 -1.377 6.101 656 HG21 VAL 90 HG21 VAL 90 6.969 -1.695 4.452 657 HG22 VAL 90 HG22 VAL 90 5.586 -0.679 4.856 658 HG23 VAL 90 HG23 VAL 90 6.263 -1.766 6.067 659 H PHE 91 H PHE 91 7.985 3.199 6.143 660 HA PHE 91 HA PHE 91 6.013 4.486 4.311 661 HB2 PHE 91 HB3 PHE 91 8.402 5.647 5.777 662 HB3 PHE 91 HB2 PHE 91 7.296 6.555 4.753 663 HD1 PHE 91 HD1 PHE 91 5.429 7.584 5.726 664 HD2 PHE 91 HD2 PHE 91 7.263 4.250 7.719 665 HE1 PHE 91 HE1 PHE 91 3.894 7.890 7.650 666 HE2 PHE 91 HE2 PHE 91 5.728 4.555 9.641 667 HZ PHE 91 HZ PHE 91 4.043 6.375 9.607 668 H LEU 92 H LEU 92 7.108 5.838 2.547 669 HA LEU 92 HA LEU 92 8.589 4.261 0.782 670 HB2 LEU 92 HB3 LEU 92 8.503 7.263 1.173 671 HB3 LEU 92 HB2 LEU 92 9.429 6.520 -0.131 672 HG LEU 92 HG LEU 92 6.583 5.655 0.222 673 HD11 LEU 92 HD11 LEU 92 5.997 7.599 -1.383 674 HD12 LEU 92 HD12 LEU 92 7.475 8.353 -0.790 675 HD13 LEU 92 HD13 LEU 92 6.168 7.977 0.331 676 HD21 LEU 92 HD21 LEU 92 6.713 5.372 -2.175 677 HD22 LEU 92 HD22 LEU 92 8.190 4.703 -1.484 678 HD23 LEU 92 HD23 LEU 92 8.216 6.291 -2.253 679 H GLU 93 H GLU 93 10.808 3.946 0.495 680 HA GLU 93 HA GLU 93 12.471 3.698 2.712 681 HB2 GLU 93 HB3 GLU 93 14.380 3.764 1.013 682 HB3 GLU 93 HB2 GLU 93 13.108 2.580 0.720 683 HG2 GLU 93 HG3 GLU 93 12.209 4.922 -0.564 684 HG3 GLU 93 HG2 GLU 93 13.928 4.832 -0.932 685 H GLN 94 H GLN 94 11.315 6.596 1.704 686 HA GLN 94 HA GLN 94 11.915 8.806 2.183 687 HB2 GLN 94 HB3 GLN 94 14.135 7.687 3.896 688 HB3 GLN 94 HB2 GLN 94 13.241 9.192 4.108 689 HG2 GLN 94 HG3 GLN 94 11.151 7.757 4.404 690 HG3 GLN 94 HG2 GLN 94 12.235 6.371 4.525 691 HE21 GLN 94 HE21 GLN 94 13.234 6.004 6.539 692 HE22 GLN 94 HE22 GLN 94 13.154 7.079 7.851 693 H ARG 95 H ARG 95 14.384 6.592 1.073 694 HA ARG 95 HA ARG 95 16.579 8.226 0.618 695 HB2 ARG 95 HB3 ARG 95 17.279 6.634 -0.899 696 HB3 ARG 95 HB2 ARG 95 15.966 5.733 -0.154 697 HG2 ARG 95 HG3 ARG 95 15.543 5.468 -2.447 698 HG3 ARG 95 HG2 ARG 95 14.471 6.788 -2.003 699 HD2 ARG 95 HD3 ARG 95 15.456 8.051 -3.596 700 HD3 ARG 95 HD2 ARG 95 16.957 7.988 -2.676 701 HE ARG 95 HE ARG 95 16.288 6.330 -5.020 702 HH11 ARG 95 HH11 ARG 95 18.016 5.125 -5.829 703 HH12 ARG 95 HH12 ARG 95 19.473 4.995 -4.904 704 HH21 ARG 95 HH21 ARG 95 18.308 6.946 -2.289 705 HH22 ARG 95 HH22 ARG 95 19.637 6.022 -2.901 706 H LEU 96 H LEU 96 13.493 8.257 -1.043 707 HA LEU 96 HA LEU 96 14.438 10.334 -2.934 708 HB2 LEU 96 HB3 LEU 96 12.037 10.164 -3.777 709 HB3 LEU 96 HB2 LEU 96 13.017 8.716 -3.952 710 HG LEU 96 HG LEU 96 11.839 8.498 -1.389 711 HD11 LEU 96 HD11 LEU 96 9.674 9.061 -3.414 712 HD12 LEU 96 HD12 LEU 96 10.273 10.324 -2.342 713 HD13 LEU 96 HD13 LEU 96 9.525 8.879 -1.667 714 HD21 LEU 96 HD21 LEU 96 12.337 6.662 -2.972 715 HD22 LEU 96 HD22 LEU 96 11.033 7.220 -4.020 716 HD23 LEU 96 HD23 LEU 96 10.666 6.592 -2.414 717 H ALA 97 H ALA 97 11.592 10.002 -0.807 718 HA ALA 97 HA ALA 97 10.518 11.585 0.551 719 HB1 ALA 97 HB1 ALA 97 13.035 11.866 1.256 720 HB2 ALA 97 HB2 ALA 97 11.861 13.094 1.729 721 HB3 ALA 97 HB3 ALA 97 12.927 13.378 0.354 722 H ALA 98 H ALA 98 8.931 12.323 -0.858 723 HA ALA 98 HA ALA 98 9.243 13.843 -3.184 724 HB1 ALA 98 HB1 ALA 98 7.089 12.861 -2.205 725 HB2 ALA 98 HB2 ALA 98 6.940 14.443 -2.967 726 HB3 ALA 98 HB3 ALA 98 7.000 14.313 -1.210 727 HA PRO 99 HA PRO 99 10.772 17.750 -1.740 728 HB2 PRO 99 HB3 PRO 99 9.847 19.399 -3.728 729 HB3 PRO 99 HB2 PRO 99 11.215 18.287 -3.940 730 HG2 PRO 99 HG3 PRO 99 8.371 17.970 -4.777 731 HG3 PRO 99 HG2 PRO 99 9.858 17.533 -5.639 732 HD2 PRO 99 HD3 PRO 99 8.336 15.693 -4.315 733 HD3 PRO 99 HD2 PRO 99 10.097 15.530 -4.494 Start of MODEL 8 1 H1 MET 1 H1 MET 1 18.848 -0.492 -4.253 2 HA MET 1 HA MET 1 19.112 -3.359 -3.579 3 HB2 MET 1 HB3 MET 1 20.659 -2.437 -1.730 4 HB3 MET 1 HB2 MET 1 21.346 -2.596 -3.347 5 HG2 MET 1 HG3 MET 1 20.055 -0.020 -2.448 6 HG3 MET 1 HG2 MET 1 21.748 -0.368 -2.094 7 HE1 MET 1 HE1 MET 1 22.992 1.648 -4.882 8 HE2 MET 1 HE2 MET 1 23.466 0.651 -3.510 9 HE3 MET 1 HE3 MET 1 22.210 1.870 -3.311 10 H GLY 2 H GLY 2 18.911 -3.230 -0.955 11 HA2 GLY 2 HA3 GLY 2 16.282 -1.954 -0.515 12 HA3 GLY 2 HA2 GLY 2 17.067 -3.108 0.564 13 H ASP 3 H ASP 3 19.134 -2.235 1.633 14 HA ASP 3 HA ASP 3 20.022 -0.671 3.146 15 HB2 ASP 3 HB3 ASP 3 20.723 0.343 0.980 16 HB3 ASP 3 HB2 ASP 3 19.223 1.271 0.957 17 H SER 4 H SER 4 19.409 1.575 4.251 18 HA SER 4 HA SER 4 17.859 2.672 5.620 19 HB2 SER 4 HB3 SER 4 16.992 3.255 3.277 20 HB3 SER 4 HB2 SER 4 15.801 1.984 3.522 21 HG SER 4 HG SER 4 15.782 3.395 5.712 22 H ARG 5 H ARG 5 15.897 2.272 6.967 23 HA ARG 5 HA ARG 5 15.570 -0.655 7.435 24 HB2 ARG 5 HB3 ARG 5 14.301 0.675 9.528 25 HB3 ARG 5 HB2 ARG 5 15.944 0.034 9.568 26 HG2 ARG 5 HG3 ARG 5 16.887 2.139 8.957 27 HG3 ARG 5 HG2 ARG 5 15.314 2.798 8.510 28 HD2 ARG 5 HD3 ARG 5 15.904 3.694 10.677 29 HD3 ARG 5 HD2 ARG 5 14.601 2.531 10.912 30 HE ARG 5 HE ARG 5 17.424 2.164 11.726 31 HH11 ARG 5 HH11 ARG 5 17.754 0.430 13.128 32 HH12 ARG 5 HH12 ARG 5 16.470 -0.699 13.409 33 HH21 ARG 5 HH21 ARG 5 14.236 0.902 11.299 34 HH22 ARG 5 HH22 ARG 5 14.482 -0.431 12.376 35 H ASP 6 H ASP 6 13.666 2.342 7.135 36 HA ASP 6 HA ASP 6 11.075 1.333 7.369 37 HB2 ASP 6 HB3 ASP 6 12.276 3.697 6.395 38 HB3 ASP 6 HB2 ASP 6 11.234 3.131 5.091 39 H LEU 7 H LEU 7 13.341 0.947 4.713 40 HA LEU 7 HA LEU 7 11.520 0.031 2.741 41 HB2 LEU 7 HB3 LEU 7 13.390 -0.260 1.483 42 HB3 LEU 7 HB2 LEU 7 14.220 0.499 2.834 43 HG LEU 7 HG LEU 7 15.448 -1.472 2.282 44 HD11 LEU 7 HD11 LEU 7 15.734 -2.027 4.426 45 HD12 LEU 7 HD12 LEU 7 14.196 -2.875 4.471 46 HD13 LEU 7 HD13 LEU 7 14.261 -1.147 4.820 47 HD21 LEU 7 HD21 LEU 7 12.989 -2.495 1.415 48 HD22 LEU 7 HD22 LEU 7 13.455 -3.538 2.759 49 HD23 LEU 7 HD23 LEU 7 14.543 -3.324 1.392 50 H CYS 8 H CYS 8 11.086 -2.193 2.047 51 HA CYS 8 HA CYS 8 11.316 -4.202 4.252 52 HB2 CYS 8 HB3 CYS 8 9.062 -4.274 4.426 53 HB3 CYS 8 HB2 CYS 8 8.901 -3.051 3.169 54 HA PRO 9 HA PRO 9 13.027 -7.055 1.371 55 HB2 PRO 9 HB3 PRO 9 11.380 -9.282 1.728 56 HB3 PRO 9 HB2 PRO 9 12.725 -8.840 2.788 57 HG2 PRO 9 HG3 PRO 9 9.833 -8.246 3.091 58 HG3 PRO 9 HG2 PRO 9 10.964 -8.825 4.316 59 HD2 PRO 9 HD3 PRO 9 10.296 -6.255 4.280 60 HD3 PRO 9 HD2 PRO 9 12.006 -6.695 4.509 61 H HIS 10 H HIS 10 9.499 -7.509 1.338 62 HA HIS 10 HA HIS 10 9.443 -8.043 -1.529 63 HB2 HIS 10 HB3 HIS 10 6.965 -7.269 0.009 64 HB3 HIS 10 HB2 HIS 10 7.170 -8.483 -1.253 65 HD2 HIS 10 HD2 HIS 10 7.929 -11.021 -0.358 66 HE1 HIS 10 HE1 HIS 10 8.187 -10.068 3.743 67 HE2 HIS 10 HE2 HIS 10 8.234 -11.953 2.054 68 H LEU 11 H LEU 11 9.959 -5.278 0.143 69 HA LEU 11 HA LEU 11 8.238 -3.426 -1.253 70 HB2 LEU 11 HB3 LEU 11 9.481 -3.093 0.971 71 HB3 LEU 11 HB2 LEU 11 10.904 -2.772 -0.008 72 HG LEU 11 HG LEU 11 8.460 -1.286 -0.805 73 HD11 LEU 11 HD11 LEU 11 8.026 -0.892 1.444 74 HD12 LEU 11 HD12 LEU 11 9.127 0.434 1.071 75 HD13 LEU 11 HD13 LEU 11 9.725 -1.004 1.899 76 HD21 LEU 11 HD21 LEU 11 10.857 -1.067 -1.720 77 HD22 LEU 11 HD22 LEU 11 11.234 -0.251 -0.204 78 HD23 LEU 11 HD23 LEU 11 10.029 0.432 -1.296 79 H ASP 12 H ASP 12 11.274 -4.958 -1.975 80 HA ASP 12 HA ASP 12 11.886 -3.074 -4.164 81 HB2 ASP 12 HB3 ASP 12 13.751 -4.014 -2.884 82 HB3 ASP 12 HB2 ASP 12 13.220 -5.650 -3.278 83 H SER 13 H SER 13 10.246 -6.083 -3.671 84 HA SER 13 HA SER 13 10.437 -6.957 -6.456 85 HB2 SER 13 HB3 SER 13 10.128 -8.480 -4.430 86 HB3 SER 13 HB2 SER 13 8.462 -7.912 -4.372 87 HG SER 13 HG SER 13 9.792 -9.307 -6.450 88 H ILE 14 H ILE 14 8.296 -4.932 -4.585 89 HA ILE 14 HA ILE 14 6.090 -5.111 -6.521 90 HB ILE 14 HB ILE 14 5.166 -3.223 -5.136 91 HG12 ILE 14 HG13 ILE 14 7.459 -3.759 -3.266 92 HG13 ILE 14 HG12 ILE 14 7.592 -2.511 -4.499 93 HG21 ILE 14 HG21 ILE 14 4.566 -4.652 -3.335 94 HG22 ILE 14 HG22 ILE 14 6.116 -5.490 -3.382 95 HG23 ILE 14 HG23 ILE 14 4.933 -5.762 -4.657 96 HD11 ILE 14 HD11 ILE 14 5.180 -2.583 -2.704 97 HD12 ILE 14 HD12 ILE 14 5.887 -1.216 -3.567 98 HD13 ILE 14 HD13 ILE 14 6.683 -1.860 -2.132 99 H GLY 15 H GLY 15 9.037 -3.376 -6.312 100 HA2 GLY 15 HA3 GLY 15 9.903 -1.605 -7.588 101 HA3 GLY 15 HA2 GLY 15 8.675 -2.023 -8.783 102 H GLU 16 H GLU 16 8.203 0.188 -9.249 103 HA GLU 16 HA GLU 16 6.670 1.579 -7.085 104 HB2 GLU 16 HB3 GLU 16 8.761 2.780 -7.343 105 HB3 GLU 16 HB2 GLU 16 8.596 2.783 -9.097 106 HG2 GLU 16 HG3 GLU 16 7.954 4.948 -7.837 107 HG3 GLU 16 HG2 GLU 16 6.814 4.356 -9.044 108 H VAL 17 H VAL 17 4.609 1.123 -7.841 109 HA VAL 17 HA VAL 17 3.866 1.030 -10.605 110 HB VAL 17 HB VAL 17 1.511 1.412 -9.646 111 HG11 VAL 17 HG11 VAL 17 3.322 -0.795 -8.634 112 HG12 VAL 17 HG12 VAL 17 2.279 -0.831 -10.056 113 HG13 VAL 17 HG13 VAL 17 1.569 -0.819 -8.442 114 HG21 VAL 17 HG21 VAL 17 1.259 1.419 -7.261 115 HG22 VAL 17 HG22 VAL 17 2.454 2.662 -7.629 116 HG23 VAL 17 HG23 VAL 17 2.974 1.094 -7.013 117 H THR 18 H THR 18 1.780 2.748 -11.040 118 HA THR 18 HA THR 18 3.131 5.235 -11.597 119 HB THR 18 HB THR 18 0.353 5.715 -11.710 120 HG1 THR 18 HG1 THR 18 -0.391 3.838 -12.724 121 HG21 THR 18 HG21 THR 18 2.001 6.382 -13.402 122 HG22 THR 18 HG22 THR 18 0.702 5.454 -14.150 123 HG23 THR 18 HG23 THR 18 2.261 4.692 -13.835 124 H LYS 19 H LYS 19 3.336 7.001 -10.324 125 HA LYS 19 HA LYS 19 2.640 6.972 -7.564 126 HB2 LYS 19 HB3 LYS 19 2.892 9.578 -7.892 127 HB3 LYS 19 HB2 LYS 19 4.303 8.538 -8.067 128 HG2 LYS 19 HG3 LYS 19 3.083 8.570 -10.621 129 HG3 LYS 19 HG2 LYS 19 3.030 10.230 -10.055 130 HD2 LYS 19 HD3 LYS 19 5.134 9.945 -11.188 131 HD3 LYS 19 HD2 LYS 19 5.487 10.005 -9.463 132 HE2 LYS 19 HE3 LYS 19 6.476 7.971 -9.603 133 HE3 LYS 19 HE2 LYS 19 4.956 7.271 -10.145 134 HZ1 LYS 19 HZ1 LYS 19 7.050 8.517 -11.834 135 HZ2 LYS 19 HZ2 LYS 19 5.521 8.054 -12.410 136 HZ3 LYS 19 HZ3 LYS 19 6.594 6.884 -11.805 137 H GLU 20 H GLU 20 1.188 8.850 -10.223 138 HA GLU 20 HA GLU 20 -1.033 9.905 -9.008 139 HB2 GLU 20 HB3 GLU 20 -0.734 10.396 -11.282 140 HB3 GLU 20 HB2 GLU 20 -0.694 8.688 -11.727 141 HG2 GLU 20 HG3 GLU 20 -3.107 8.535 -10.991 142 HG3 GLU 20 HG2 GLU 20 -3.092 10.282 -10.773 143 H ASP 21 H ASP 21 -0.558 6.574 -10.096 144 HA ASP 21 HA ASP 21 -3.127 5.533 -9.640 145 HB2 ASP 21 HB3 ASP 21 -0.930 4.322 -10.401 146 HB3 ASP 21 HB2 ASP 21 -0.699 4.020 -8.682 147 H LEU 22 H LEU 22 -0.525 6.198 -7.339 148 HA LEU 22 HA LEU 22 -2.024 5.321 -5.025 149 HB2 LEU 22 HB3 LEU 22 0.184 7.366 -4.914 150 HB3 LEU 22 HB2 LEU 22 -0.211 6.105 -3.743 151 HG LEU 22 HG LEU 22 0.996 5.709 -6.495 152 HD11 LEU 22 HD11 LEU 22 2.935 4.935 -5.306 153 HD12 LEU 22 HD12 LEU 22 2.074 4.955 -3.768 154 HD13 LEU 22 HD13 LEU 22 2.474 6.472 -4.573 155 HD21 LEU 22 HD21 LEU 22 -0.044 3.735 -4.445 156 HD22 LEU 22 HD22 LEU 22 1.073 3.281 -5.732 157 HD23 LEU 22 HD23 LEU 22 -0.532 3.889 -6.133 158 H LEU 23 H LEU 23 -1.944 8.112 -6.983 159 HA LEU 23 HA LEU 23 -3.146 9.902 -5.005 160 HB2 LEU 23 HB3 LEU 23 -2.862 10.184 -8.018 161 HB3 LEU 23 HB2 LEU 23 -3.209 11.483 -6.903 162 HG LEU 23 HG LEU 23 -0.657 9.846 -7.064 163 HD11 LEU 23 HD11 LEU 23 -1.344 12.087 -8.463 164 HD12 LEU 23 HD12 LEU 23 0.310 11.725 -7.971 165 HD13 LEU 23 HD13 LEU 23 -0.673 12.831 -7.012 166 HD21 LEU 23 HD21 LEU 23 0.025 11.535 -5.184 167 HD22 LEU 23 HD22 LEU 23 -0.918 10.114 -4.739 168 HD23 LEU 23 HD23 LEU 23 -1.711 11.682 -4.906 169 H LEU 24 H LEU 24 -4.353 8.339 -8.051 170 HA LEU 24 HA LEU 24 -7.069 9.122 -7.514 171 HB2 LEU 24 HB3 LEU 24 -7.757 7.414 -9.106 172 HB3 LEU 24 HB2 LEU 24 -6.375 8.303 -9.754 173 HG LEU 24 HG LEU 24 -5.083 6.274 -8.478 174 HD11 LEU 24 HD11 LEU 24 -7.346 5.253 -7.902 175 HD12 LEU 24 HD12 LEU 24 -6.262 4.192 -8.797 176 HD13 LEU 24 HD13 LEU 24 -7.585 5.006 -9.630 177 HD21 LEU 24 HD21 LEU 24 -4.623 6.854 -10.760 178 HD22 LEU 24 HD22 LEU 24 -6.243 6.389 -11.272 179 HD23 LEU 24 HD23 LEU 24 -5.088 5.153 -10.773 180 H LYS 25 H LYS 25 -5.163 6.212 -6.692 181 HA LYS 25 HA LYS 25 -7.182 4.690 -5.472 182 HB2 LYS 25 HB3 LYS 25 -4.275 5.126 -4.756 183 HB3 LYS 25 HB2 LYS 25 -5.293 4.044 -3.811 184 HG2 LYS 25 HG3 LYS 25 -5.661 2.592 -5.646 185 HG3 LYS 25 HG2 LYS 25 -5.133 3.799 -6.814 186 HD2 LYS 25 HD3 LYS 25 -2.846 3.542 -6.195 187 HD3 LYS 25 HD2 LYS 25 -3.261 2.658 -4.735 188 HE2 LYS 25 HE3 LYS 25 -2.466 1.396 -6.956 189 HE3 LYS 25 HE2 LYS 25 -3.668 0.689 -5.878 190 HZ1 LYS 25 HZ1 LYS 25 -5.351 1.118 -7.313 191 HZ2 LYS 25 HZ2 LYS 25 -4.096 0.976 -8.450 192 HZ3 LYS 25 HZ3 LYS 25 -4.623 2.512 -7.950 193 H SER 26 H SER 26 -5.334 7.430 -4.190 194 HA SER 26 HA SER 26 -6.669 7.548 -1.632 195 HB2 SER 26 HB3 SER 26 -4.430 8.677 -2.459 196 HB3 SER 26 HB2 SER 26 -5.491 9.945 -3.036 197 HG SER 26 HG SER 26 -5.942 9.024 -0.456 198 H LYS 27 H LYS 27 -8.084 7.676 -4.506 199 HA LYS 27 HA LYS 27 -9.377 10.104 -4.848 200 HB2 LYS 27 HB3 LYS 27 -11.400 8.644 -5.623 201 HB3 LYS 27 HB2 LYS 27 -9.885 8.567 -6.513 202 HG2 LYS 27 HG3 LYS 27 -9.465 6.413 -5.889 203 HG3 LYS 27 HG2 LYS 27 -10.113 6.647 -4.260 204 HD2 LYS 27 HD3 LYS 27 -11.555 5.111 -5.485 205 HD3 LYS 27 HD2 LYS 27 -12.420 6.632 -5.252 206 HE2 LYS 27 HE3 LYS 27 -11.785 7.354 -7.519 207 HE3 LYS 27 HE2 LYS 27 -10.890 5.854 -7.754 208 HZ1 LYS 27 HZ1 LYS 27 -13.149 5.817 -8.712 209 HZ2 LYS 27 HZ2 LYS 27 -13.795 5.993 -7.150 210 HZ3 LYS 27 HZ3 LYS 27 -12.903 4.605 -7.552 211 H GLY 28 H GLY 28 -10.554 7.457 -2.663 212 HA2 GLY 28 HA3 GLY 28 -11.266 8.748 -0.476 213 HA3 GLY 28 HA2 GLY 28 -12.459 9.450 -1.554 214 H THR 29 H THR 29 -11.818 6.243 -2.473 215 HA THR 29 HA THR 29 -13.658 5.052 -0.536 216 HB THR 29 HB THR 29 -14.968 4.523 -2.959 217 HG1 THR 29 HG1 THR 29 -14.558 7.295 -2.622 218 HG21 THR 29 HG21 THR 29 -16.837 5.627 -1.914 219 HG22 THR 29 HG22 THR 29 -15.765 6.565 -0.877 220 HG23 THR 29 HG23 THR 29 -15.922 4.827 -0.637 221 H CYS 30 H CYS 30 -13.775 2.792 -0.688 222 HA CYS 30 HA CYS 30 -11.541 1.392 -1.828 223 HB2 CYS 30 HB3 CYS 30 -12.872 0.529 0.105 224 HB3 CYS 30 HB2 CYS 30 -14.242 0.283 -0.976 225 H GLN 31 H GLN 31 -11.451 0.192 -3.813 226 HA GLN 31 HA GLN 31 -13.344 1.116 -5.841 227 HB2 GLN 31 HB3 GLN 31 -12.005 -0.371 -7.369 228 HB3 GLN 31 HB2 GLN 31 -11.077 0.893 -6.572 229 HG2 GLN 31 HG3 GLN 31 -9.784 -1.125 -6.405 230 HG3 GLN 31 HG2 GLN 31 -10.464 -0.831 -4.809 231 HE21 GLN 31 HE21 GLN 31 -10.444 -3.120 -4.247 232 HE22 GLN 31 HE22 GLN 31 -11.523 -4.216 -4.963 233 H SER 32 H SER 32 -13.165 -1.586 -3.732 234 HA SER 32 HA SER 32 -15.151 -3.051 -5.431 235 HB2 SER 32 HB3 SER 32 -13.146 -4.017 -3.392 236 HB3 SER 32 HB2 SER 32 -14.504 -5.014 -3.907 237 HG SER 32 HG SER 32 -13.350 -3.942 -6.056 238 H CYS 33 H CYS 33 -14.798 -1.213 -2.585 239 HA CYS 33 HA CYS 33 -17.421 -2.269 -1.595 240 HB2 CYS 33 HB3 CYS 33 -15.199 -1.170 0.147 241 HB3 CYS 33 HB2 CYS 33 -16.714 -1.875 0.686 242 H GLY 34 H GLY 34 -15.478 0.519 -2.411 243 HA2 GLY 34 HA3 GLY 34 -16.028 2.809 -2.380 244 HA3 GLY 34 HA2 GLY 34 -17.687 2.266 -2.634 245 H VAL 35 H VAL 35 -15.274 2.429 -0.017 246 HA VAL 35 HA VAL 35 -17.485 2.814 1.931 247 HB VAL 35 HB VAL 35 -15.857 2.169 3.632 248 HG11 VAL 35 HG11 VAL 35 -16.765 0.209 2.822 249 HG12 VAL 35 HG12 VAL 35 -15.087 -0.067 2.360 250 HG13 VAL 35 HG13 VAL 35 -16.245 0.517 1.170 251 HG21 VAL 35 HG21 VAL 35 -13.553 1.440 2.749 252 HG22 VAL 35 HG22 VAL 35 -13.833 3.171 2.880 253 HG23 VAL 35 HG23 VAL 35 -13.931 2.378 1.306 254 H THR 36 H THR 36 -14.256 4.283 1.190 255 HA THR 36 HA THR 36 -15.017 6.949 1.363 256 HB THR 36 HB THR 36 -13.971 7.019 3.964 257 HG1 THR 36 HG1 THR 36 -14.683 4.650 3.737 258 HG21 THR 36 HG21 THR 36 -16.503 7.433 4.525 259 HG22 THR 36 HG22 THR 36 -16.713 7.346 2.776 260 HG23 THR 36 HG23 THR 36 -15.647 8.563 3.476 261 H GLY 37 H GLY 37 -13.011 8.295 2.452 262 HA2 GLY 37 HA3 GLY 37 -10.627 7.202 1.103 263 HA3 GLY 37 HA2 GLY 37 -10.827 8.849 1.661 264 HA PRO 38 HA PRO 38 -8.870 8.312 5.514 265 HB2 PRO 38 HB3 PRO 38 -11.319 7.944 7.117 266 HB3 PRO 38 HB2 PRO 38 -10.047 9.161 7.278 267 HG2 PRO 38 HG3 PRO 38 -12.524 9.678 6.252 268 HG3 PRO 38 HG2 PRO 38 -11.071 10.612 5.872 269 HD2 PRO 38 HD3 PRO 38 -12.568 8.746 4.155 270 HD3 PRO 38 HD2 PRO 38 -11.386 9.986 3.696 271 H ASN 39 H ASN 39 -7.881 6.538 6.231 272 HA ASN 39 HA ASN 39 -7.524 4.373 7.020 273 HB2 ASN 39 HB3 ASN 39 -10.036 4.932 7.975 274 HB3 ASN 39 HB2 ASN 39 -10.357 3.516 6.969 275 HD21 ASN 39 HD21 ASN 39 -9.677 1.482 7.763 276 HD22 ASN 39 HD22 ASN 39 -8.807 1.273 9.205 277 H LEU 40 H LEU 40 -7.894 5.104 4.099 278 HA LEU 40 HA LEU 40 -9.022 2.626 2.974 279 HB2 LEU 40 HB3 LEU 40 -7.843 5.126 1.811 280 HB3 LEU 40 HB2 LEU 40 -7.881 3.684 0.816 281 HG LEU 40 HG LEU 40 -10.240 5.161 2.021 282 HD11 LEU 40 HD11 LEU 40 -9.615 4.371 -0.828 283 HD12 LEU 40 HD12 LEU 40 -9.174 5.929 -0.144 284 HD13 LEU 40 HD13 LEU 40 -10.871 5.474 -0.289 285 HD21 LEU 40 HD21 LEU 40 -11.041 2.985 2.265 286 HD22 LEU 40 HD22 LEU 40 -10.007 2.351 0.982 287 HD23 LEU 40 HD23 LEU 40 -11.454 3.271 0.576 288 H TRP 41 H TRP 41 -7.575 1.405 1.375 289 HA TRP 41 HA TRP 41 -4.698 1.412 1.984 290 HB2 TRP 41 HB3 TRP 41 -6.378 -1.023 2.667 291 HB3 TRP 41 HB2 TRP 41 -4.624 -0.908 2.781 292 HD1 TRP 41 HD TRP 41 -7.783 0.685 4.292 293 HE1 TRP 41 HE1 TRP 41 -7.235 1.468 6.686 294 HE3 TRP 41 HE3 TRP 41 -2.795 -0.385 4.452 295 HZ2 TRP 41 HZ2 TRP 41 -4.985 1.613 8.440 296 HZ3 TRP 41 HZ3 TRP 41 -1.477 0.085 6.498 297 HH2 TRP 41 HH2 TRP 41 -2.564 1.079 8.489 298 H ALA 42 H ALA 42 -4.367 1.647 -0.253 299 HA ALA 42 HA ALA 42 -5.620 -0.304 -2.072 300 HB1 ALA 42 HB1 ALA 42 -5.452 2.103 -2.684 301 HB2 ALA 42 HB2 ALA 42 -4.650 1.053 -3.847 302 HB3 ALA 42 HB3 ALA 42 -3.697 1.955 -2.667 303 H CYS 43 H CYS 43 -4.512 -1.855 -3.223 304 HA CYS 43 HA CYS 43 -2.188 -3.027 -2.079 305 HB2 CYS 43 HB3 CYS 43 -3.991 -3.936 -3.809 306 HB3 CYS 43 HB2 CYS 43 -2.786 -3.417 -4.987 307 H LEU 44 H LEU 44 0.009 -3.028 -2.868 308 HA LEU 44 HA LEU 44 0.659 -0.782 -4.729 309 HB2 LEU 44 HB3 LEU 44 0.978 -0.202 -2.277 310 HB3 LEU 44 HB2 LEU 44 2.235 -1.433 -2.231 311 HG LEU 44 HG LEU 44 3.138 -0.110 -4.363 312 HD11 LEU 44 HD11 LEU 44 1.062 1.413 -4.215 313 HD12 LEU 44 HD12 LEU 44 2.628 2.200 -4.403 314 HD13 LEU 44 HD13 LEU 44 1.856 2.143 -2.820 315 HD21 LEU 44 HD21 LEU 44 4.588 1.177 -2.879 316 HD22 LEU 44 HD22 LEU 44 4.301 -0.410 -2.167 317 HD23 LEU 44 HD23 LEU 44 3.436 1.000 -1.556 318 H GLN 45 H GLN 45 0.538 -3.544 -5.484 319 HA GLN 45 HA GLN 45 3.361 -4.424 -5.481 320 HB2 GLN 45 HB3 GLN 45 1.293 -5.862 -7.081 321 HB3 GLN 45 HB2 GLN 45 2.639 -6.507 -6.134 322 HG2 GLN 45 HG3 GLN 45 0.382 -5.109 -4.725 323 HG3 GLN 45 HG2 GLN 45 0.183 -6.773 -5.252 324 HE21 GLN 45 HE21 GLN 45 0.957 -5.131 -2.543 325 HE22 GLN 45 HE22 GLN 45 2.087 -6.188 -1.846 326 H VAL 46 H VAL 46 4.597 -4.612 -7.349 327 HA VAL 46 HA VAL 46 4.691 -2.607 -9.203 328 HB VAL 46 HB VAL 46 6.319 -4.545 -8.932 329 HG11 VAL 46 HG11 VAL 46 4.639 -5.855 -11.072 330 HG12 VAL 46 HG12 VAL 46 4.439 -6.250 -9.365 331 HG13 VAL 46 HG13 VAL 46 5.984 -6.544 -10.163 332 HG21 VAL 46 HG21 VAL 46 5.541 -3.819 -11.773 333 HG22 VAL 46 HG22 VAL 46 7.133 -4.341 -11.221 334 HG23 VAL 46 HG23 VAL 46 6.487 -2.784 -10.703 335 H ALA 47 H ALA 47 2.242 -5.095 -9.188 336 HA ALA 47 HA ALA 47 1.087 -3.830 -11.610 337 HB1 ALA 47 HB1 ALA 47 0.774 -5.969 -12.754 338 HB2 ALA 47 HB2 ALA 47 1.581 -6.813 -11.432 339 HB3 ALA 47 HB3 ALA 47 2.488 -5.693 -12.447 340 H CYS 48 H CYS 48 -0.017 -3.501 -9.124 341 HA CYS 48 HA CYS 48 -2.524 -5.071 -9.417 342 HB2 CYS 48 HB3 CYS 48 -0.956 -6.075 -7.624 343 HB3 CYS 48 HB2 CYS 48 -1.343 -4.639 -6.679 344 HA PRO 49 HA PRO 49 -3.343 -0.636 -8.527 345 HB2 PRO 49 HB3 PRO 49 -4.805 -0.062 -10.725 346 HB3 PRO 49 HB2 PRO 49 -3.031 -0.116 -10.772 347 HG2 PRO 49 HG3 PRO 49 -5.011 -2.099 -11.757 348 HG3 PRO 49 HG2 PRO 49 -3.424 -1.663 -12.411 349 HD2 PRO 49 HD3 PRO 49 -3.983 -3.919 -10.806 350 HD3 PRO 49 HD2 PRO 49 -2.366 -3.277 -11.172 351 H TYR 50 H TYR 50 -4.781 -1.002 -6.807 352 HA TYR 50 HA TYR 50 -7.620 -0.917 -7.398 353 HB2 TYR 50 HB3 TYR 50 -6.417 -3.434 -6.207 354 HB3 TYR 50 HB2 TYR 50 -8.123 -3.020 -6.055 355 HD1 TYR 50 HD1 TYR 50 -5.668 -4.604 -8.098 356 HD2 TYR 50 HD2 TYR 50 -9.393 -2.471 -8.273 357 HE1 TYR 50 HE1 TYR 50 -6.098 -5.538 -10.355 358 HE2 TYR 50 HE2 TYR 50 -9.823 -3.406 -10.528 359 HH TYR 50 HH TYR 50 -7.384 -5.312 -12.222 360 H VAL 51 H VAL 51 -8.585 0.176 -5.689 361 HA VAL 51 HA VAL 51 -6.893 0.564 -3.279 362 HB VAL 51 HB VAL 51 -7.404 2.652 -4.214 363 HG11 VAL 51 HG11 VAL 51 -9.704 3.300 -4.878 364 HG12 VAL 51 HG12 VAL 51 -10.272 1.688 -4.451 365 HG13 VAL 51 HG13 VAL 51 -9.134 1.898 -5.782 366 HG21 VAL 51 HG21 VAL 51 -8.333 3.710 -2.413 367 HG22 VAL 51 HG22 VAL 51 -8.144 2.116 -1.684 368 HG23 VAL 51 HG23 VAL 51 -9.708 2.610 -2.329 369 H GLY 52 H GLY 52 -7.355 -1.029 -1.858 370 HA2 GLY 52 HA3 GLY 52 -10.110 -1.965 -1.501 371 HA3 GLY 52 HA2 GLY 52 -8.689 -2.607 -0.694 372 H CYS 53 H CYS 53 -10.468 -2.452 1.075 373 HA CYS 53 HA CYS 53 -10.637 0.245 2.313 374 HB2 CYS 53 HB3 CYS 53 -11.968 -1.433 4.011 375 HB3 CYS 53 HB2 CYS 53 -12.755 -0.602 2.694 376 H GLY 54 H GLY 54 -10.601 0.144 4.708 377 HA2 GLY 54 HA3 GLY 54 -8.387 -1.575 5.756 378 HA3 GLY 54 HA2 GLY 54 -8.659 0.094 6.301 379 H GLU 55 H GLU 55 -8.911 -2.182 8.097 380 HA GLU 55 HA GLU 55 -11.231 -3.407 8.621 381 HB2 GLU 55 HB3 GLU 55 -11.107 -2.858 10.956 382 HB3 GLU 55 HB2 GLU 55 -9.454 -2.930 10.350 383 HG2 GLU 55 HG3 GLU 55 -9.661 -0.398 9.966 384 HG3 GLU 55 HG2 GLU 55 -11.099 -0.483 10.984 385 H SER 56 H SER 56 -10.890 0.065 8.576 386 HA SER 56 HA SER 56 -13.167 1.201 9.451 387 HB2 SER 56 HB3 SER 56 -11.510 1.590 7.072 388 HB3 SER 56 HB2 SER 56 -13.163 2.110 6.812 389 HG SER 56 HG SER 56 -12.760 3.074 9.078 390 H PHE 57 H PHE 57 -12.979 -0.855 6.550 391 HA PHE 57 HA PHE 57 -15.966 -1.157 6.687 392 HB2 PHE 57 HB3 PHE 57 -15.270 -0.073 4.611 393 HB3 PHE 57 HB2 PHE 57 -14.173 -1.387 4.269 394 HD1 PHE 57 HD1 PHE 57 -17.768 -0.849 5.187 395 HD2 PHE 57 HD2 PHE 57 -14.933 -3.124 2.899 396 HE1 PHE 57 HE1 PHE 57 -19.625 -2.134 4.163 397 HE2 PHE 57 HE2 PHE 57 -16.791 -4.407 1.874 398 HZ PHE 57 HZ PHE 57 -19.136 -3.913 2.505 399 H ALA 58 H ALA 58 -13.887 -3.020 4.651 400 HA ALA 58 HA ALA 58 -14.320 -5.423 6.400 401 HB1 ALA 58 HB1 ALA 58 -14.169 -5.338 3.368 402 HB2 ALA 58 HB2 ALA 58 -15.661 -5.486 4.296 403 HB3 ALA 58 HB3 ALA 58 -14.454 -6.770 4.358 404 H ASP 59 H ASP 59 -12.094 -3.294 5.285 405 HA ASP 59 HA ASP 59 -9.775 -3.320 5.070 406 HB2 ASP 59 HB3 ASP 59 -9.815 -4.121 7.345 407 HB3 ASP 59 HB2 ASP 59 -10.155 -5.759 6.824 408 H HIS 60 H HIS 60 -10.593 -4.070 2.698 409 HA HIS 60 HA HIS 60 -10.234 -6.709 1.786 410 HB2 HIS 60 HB3 HIS 60 -10.017 -4.036 0.580 411 HB3 HIS 60 HB2 HIS 60 -8.981 -5.213 -0.197 412 HD2 HIS 60 HD2 HIS 60 -10.648 -7.752 -0.713 413 HE1 HIS 60 HE1 HIS 60 -13.984 -5.368 -1.700 414 HE2 HIS 60 HE2 HIS 60 -12.985 -7.689 -1.858 415 H SER 61 H SER 61 -8.014 -4.393 3.013 416 HA SER 61 HA SER 61 -5.513 -5.120 2.067 417 HB2 SER 61 HB3 SER 61 -6.320 -3.508 4.021 418 HB3 SER 61 HB2 SER 61 -5.844 -4.861 5.035 419 HG SER 61 HG SER 61 -4.188 -3.809 2.988 420 H THR 62 H THR 62 -7.557 -6.970 4.293 421 HA THR 62 HA THR 62 -5.406 -8.924 4.731 422 HB THR 62 HB THR 62 -7.371 -10.127 5.930 423 HG1 THR 62 HG1 THR 62 -8.382 -7.579 5.321 424 HG21 THR 62 HG21 THR 62 -5.700 -9.259 7.319 425 HG22 THR 62 HG22 THR 62 -7.126 -8.373 7.857 426 HG23 THR 62 HG23 THR 62 -5.969 -7.604 6.772 427 H ILE 63 H ILE 63 -8.823 -9.293 3.690 428 HA ILE 63 HA ILE 63 -8.430 -11.841 2.602 429 HB ILE 63 HB ILE 63 -10.422 -11.318 1.125 430 HG12 ILE 63 HG13 ILE 63 -10.486 -8.772 2.749 431 HG13 ILE 63 HG12 ILE 63 -9.813 -8.850 1.121 432 HG21 ILE 63 HG21 ILE 63 -11.968 -11.196 3.069 433 HG22 ILE 63 HG22 ILE 63 -10.611 -10.752 4.104 434 HG23 ILE 63 HG23 ILE 63 -10.661 -12.345 3.351 435 HD11 ILE 63 HD11 ILE 63 -11.909 -9.503 0.177 436 HD12 ILE 63 HD12 ILE 63 -12.271 -8.166 1.267 437 HD13 ILE 63 HD13 ILE 63 -12.599 -9.824 1.767 438 H HIS 64 H HIS 64 -7.864 -8.686 1.214 439 HA HIS 64 HA HIS 64 -7.398 -9.608 -1.485 440 HB2 HIS 64 HB3 HIS 64 -7.891 -7.224 -0.965 441 HB3 HIS 64 HB2 HIS 64 -6.329 -7.104 -0.147 442 HD1 HIS 64 HD1 HIS 64 -7.853 -6.776 -3.439 443 HD2 HIS 64 HD2 HIS 64 -4.079 -7.778 -1.979 444 HE1 HIS 64 HE1 HIS 64 -6.249 -6.570 -5.392 445 H ALA 65 H ALA 65 -5.264 -8.962 1.308 446 HA ALA 65 HA ALA 65 -2.861 -9.710 -0.202 447 HB1 ALA 65 HB1 ALA 65 -3.387 -9.362 2.771 448 HB2 ALA 65 HB2 ALA 65 -2.603 -8.204 1.698 449 HB3 ALA 65 HB3 ALA 65 -1.801 -9.724 2.092 450 H GLN 66 H GLN 66 -5.388 -11.182 1.437 451 HA GLN 66 HA GLN 66 -4.117 -13.718 2.104 452 HB2 GLN 66 HB3 GLN 66 -5.891 -12.869 3.478 453 HB3 GLN 66 HB2 GLN 66 -6.894 -12.593 2.082 454 HG2 GLN 66 HG3 GLN 66 -7.881 -14.533 2.640 455 HG3 GLN 66 HG2 GLN 66 -6.492 -15.278 1.849 456 HE21 GLN 66 HE21 GLN 66 -4.435 -15.141 3.595 457 HE22 GLN 66 HE22 GLN 66 -4.826 -15.824 5.100 458 H ALA 67 H ALA 67 -6.241 -12.460 -0.455 459 HA ALA 67 HA ALA 67 -6.511 -15.126 -1.663 460 HB1 ALA 67 HB1 ALA 67 -7.518 -13.063 -3.381 461 HB2 ALA 67 HB2 ALA 67 -8.007 -12.697 -1.729 462 HB3 ALA 67 HB3 ALA 67 -8.430 -14.249 -2.447 463 H LYS 68 H LYS 68 -5.069 -11.990 -2.466 464 HA LYS 68 HA LYS 68 -3.766 -13.190 -4.846 465 HB2 LYS 68 HB3 LYS 68 -3.756 -10.331 -3.843 466 HB3 LYS 68 HB2 LYS 68 -3.179 -10.893 -5.409 467 HG2 LYS 68 HG3 LYS 68 -5.309 -10.322 -6.069 468 HG3 LYS 68 HG2 LYS 68 -5.671 -11.941 -5.471 469 HD2 LYS 68 HD3 LYS 68 -6.351 -11.045 -3.314 470 HD3 LYS 68 HD2 LYS 68 -5.871 -9.424 -3.801 471 HE2 LYS 68 HE3 LYS 68 -7.903 -10.986 -5.388 472 HE3 LYS 68 HE2 LYS 68 -8.378 -10.031 -3.985 473 HZ1 LYS 68 HZ1 LYS 68 -8.173 -8.160 -5.134 474 HZ2 LYS 68 HZ2 LYS 68 -8.027 -9.108 -6.537 475 HZ3 LYS 68 HZ3 LYS 68 -6.637 -8.581 -5.714 476 H LYS 69 H LYS 69 -3.138 -13.073 -1.670 477 HA LYS 69 HA LYS 69 -1.207 -13.270 -0.382 478 HB2 LYS 69 HB3 LYS 69 -0.441 -14.297 -3.082 479 HB3 LYS 69 HB2 LYS 69 0.855 -14.015 -1.922 480 HG2 LYS 69 HG3 LYS 69 -0.139 -16.351 -1.882 481 HG3 LYS 69 HG2 LYS 69 -0.120 -15.518 -0.330 482 HD2 LYS 69 HD3 LYS 69 -2.421 -15.219 -0.301 483 HD3 LYS 69 HD2 LYS 69 -2.550 -15.206 -2.058 484 HE2 LYS 69 HE3 LYS 69 -3.465 -17.285 -0.887 485 HE3 LYS 69 HE2 LYS 69 -2.313 -17.579 -2.191 486 HZ1 LYS 69 HZ1 LYS 69 -0.566 -17.562 -0.375 487 HZ2 LYS 69 HZ2 LYS 69 -1.596 -18.911 -0.433 488 HZ3 LYS 69 HZ3 LYS 69 -1.849 -17.696 0.727 489 H HIS 70 H HIS 70 -1.772 -10.674 -2.068 490 HA HIS 70 HA HIS 70 0.923 -9.541 -2.373 491 HB2 HIS 70 HB3 HIS 70 -1.832 -8.255 -2.372 492 HB3 HIS 70 HB2 HIS 70 -0.337 -7.380 -2.669 493 HD2 HIS 70 HD2 HIS 70 1.016 -9.838 -4.600 494 HE1 HIS 70 HE1 HIS 70 -2.286 -8.988 -7.084 495 HE2 HIS 70 HE2 HIS 70 -0.007 -10.089 -6.982 496 H ASN 71 H ASN 71 2.131 -8.960 -0.602 497 HA ASN 71 HA ASN 71 0.771 -8.688 1.997 498 HB2 ASN 71 HB3 ASN 71 3.260 -8.355 2.714 499 HB3 ASN 71 HB2 ASN 71 2.700 -9.949 2.216 500 HD21 ASN 71 HD21 ASN 71 2.985 -10.381 -0.262 501 HD22 ASN 71 HD22 ASN 71 4.413 -9.796 -0.971 502 H LEU 72 H LEU 72 2.765 -6.660 -0.144 503 HA LEU 72 HA LEU 72 2.614 -4.415 1.705 504 HB2 LEU 72 HB3 LEU 72 3.641 -4.657 -1.120 505 HB3 LEU 72 HB2 LEU 72 3.758 -3.187 -0.153 506 HG LEU 72 HG LEU 72 4.790 -5.853 0.824 507 HD11 LEU 72 HD11 LEU 72 7.059 -4.789 0.174 508 HD12 LEU 72 HD12 LEU 72 6.105 -3.753 -0.889 509 HD13 LEU 72 HD13 LEU 72 6.086 -5.500 -1.112 510 HD21 LEU 72 HD21 LEU 72 5.083 -2.959 1.658 511 HD22 LEU 72 HD22 LEU 72 6.278 -4.162 2.134 512 HD23 LEU 72 HD23 LEU 72 4.602 -4.341 2.642 513 H THR 73 H THR 73 1.315 -2.747 1.702 514 HA THR 73 HA THR 73 -0.328 -2.005 -0.620 515 HB THR 73 HB THR 73 -2.169 -3.124 0.171 516 HG1 THR 73 HG1 THR 73 -1.901 -1.240 2.272 517 HG21 THR 73 HG21 THR 73 -0.614 -3.354 2.750 518 HG22 THR 73 HG22 THR 73 -0.945 -4.622 1.571 519 HG23 THR 73 HG23 THR 73 -2.251 -3.980 2.566 520 H VAL 74 H VAL 74 -1.252 0.246 -0.182 521 HA VAL 74 HA VAL 74 0.311 1.563 2.011 522 HB VAL 74 HB VAL 74 1.331 2.253 -0.005 523 HG11 VAL 74 HG11 VAL 74 -0.023 3.125 -1.918 524 HG12 VAL 74 HG12 VAL 74 -1.493 2.712 -1.036 525 HG13 VAL 74 HG13 VAL 74 -0.391 1.439 -1.555 526 HG21 VAL 74 HG21 VAL 74 0.547 4.083 1.640 527 HG22 VAL 74 HG22 VAL 74 -0.714 4.436 0.462 528 HG23 VAL 74 HG23 VAL 74 0.982 4.606 0.014 529 H ASN 75 H ASN 75 -0.721 2.897 3.350 530 HA ASN 75 HA ASN 75 -3.656 3.077 3.140 531 HB2 ASN 75 HB3 ASN 75 -2.370 2.520 5.282 532 HB3 ASN 75 HB2 ASN 75 -1.899 4.217 5.318 533 HD21 ASN 75 HD21 ASN 75 -3.444 3.378 7.443 534 HD22 ASN 75 HD22 ASN 75 -5.033 3.956 7.294 535 H LEU 76 H LEU 76 -4.217 4.665 1.688 536 HA LEU 76 HA LEU 76 -2.748 7.126 1.363 537 HB2 LEU 76 HB3 LEU 76 -5.649 6.660 0.651 538 HB3 LEU 76 HB2 LEU 76 -4.503 7.746 -0.130 539 HG LEU 76 HG LEU 76 -3.463 5.029 -0.099 540 HD11 LEU 76 HD11 LEU 76 -6.051 5.374 -1.617 541 HD12 LEU 76 HD12 LEU 76 -5.925 4.511 -0.087 542 HD13 LEU 76 HD13 LEU 76 -5.058 3.926 -1.502 543 HD21 LEU 76 HD21 LEU 76 -4.313 6.482 -2.576 544 HD22 LEU 76 HD22 LEU 76 -2.885 5.495 -2.298 545 HD23 LEU 76 HD23 LEU 76 -2.976 7.118 -1.619 546 H THR 77 H THR 77 -4.220 6.083 3.992 547 HA THR 77 HA THR 77 -5.717 8.530 4.704 548 HB THR 77 HB THR 77 -5.071 6.080 6.370 549 HG1 THR 77 HG1 THR 77 -6.337 5.659 4.500 550 HG21 THR 77 HG21 THR 77 -5.628 7.951 7.772 551 HG22 THR 77 HG22 THR 77 -7.056 6.923 7.685 552 HG23 THR 77 HG23 THR 77 -6.975 8.403 6.730 553 H THR 78 H THR 78 -2.783 6.768 5.568 554 HA THR 78 HA THR 78 -1.835 9.194 7.046 555 HB THR 78 HB THR 78 -0.859 6.379 7.535 556 HG1 THR 78 HG1 THR 78 -2.531 7.400 9.408 557 HG21 THR 78 HG21 THR 78 0.559 8.199 8.361 558 HG22 THR 78 HG22 THR 78 -0.209 7.370 9.716 559 HG23 THR 78 HG23 THR 78 -0.825 8.931 9.173 560 H PHE 79 H PHE 79 -1.221 7.059 4.437 561 HA PHE 79 HA PHE 79 0.428 7.236 2.768 562 HB2 PHE 79 HB3 PHE 79 1.998 9.212 4.400 563 HB3 PHE 79 HB2 PHE 79 1.819 9.102 2.651 564 HD1 PHE 79 HD1 PHE 79 -1.004 8.979 2.156 565 HD2 PHE 79 HD2 PHE 79 1.099 11.243 5.142 566 HE1 PHE 79 HE1 PHE 79 -2.869 10.611 2.233 567 HE2 PHE 79 HE2 PHE 79 -0.767 12.874 5.218 568 HZ PHE 79 HZ PHE 79 -2.750 12.558 3.764 569 H ARG 80 H ARG 80 0.604 5.118 4.318 570 HA ARG 80 HA ARG 80 3.525 4.737 4.645 571 HB2 ARG 80 HB3 ARG 80 2.533 3.201 6.719 572 HB3 ARG 80 HB2 ARG 80 3.342 4.751 6.915 573 HG2 ARG 80 HG3 ARG 80 1.333 5.910 7.212 574 HG3 ARG 80 HG2 ARG 80 0.382 4.690 6.364 575 HD2 ARG 80 HD3 ARG 80 0.774 3.107 8.220 576 HD3 ARG 80 HD2 ARG 80 1.682 4.346 9.081 577 HE ARG 80 HE ARG 80 -1.113 4.989 8.339 578 HH11 ARG 80 HH11 ARG 80 -2.418 5.540 10.092 579 HH12 ARG 80 HH12 ARG 80 -1.833 5.295 11.704 580 HH21 ARG 80 HH21 ARG 80 1.220 4.006 10.691 581 HH22 ARG 80 HH22 ARG 80 0.223 4.429 12.042 582 H LEU 81 H LEU 81 3.717 2.156 5.141 583 HA LEU 81 HA LEU 81 1.840 0.871 3.205 584 HB2 LEU 81 HB3 LEU 81 4.769 0.752 3.523 585 HB3 LEU 81 HB2 LEU 81 3.993 -0.771 3.130 586 HG LEU 81 HG LEU 81 3.211 1.664 1.590 587 HD11 LEU 81 HD11 LEU 81 5.841 0.203 1.277 588 HD12 LEU 81 HD12 LEU 81 5.597 1.927 1.554 589 HD13 LEU 81 HD13 LEU 81 5.138 1.209 0.010 590 HD21 LEU 81 HD21 LEU 81 2.272 0.097 0.255 591 HD22 LEU 81 HD22 LEU 81 2.781 -1.140 1.401 592 HD23 LEU 81 HD23 LEU 81 3.822 -0.714 0.049 593 H TRP 82 H TRP 82 1.968 -1.613 3.512 594 HA TRP 82 HA TRP 82 2.194 -2.474 6.311 595 HB2 TRP 82 HB3 TRP 82 -0.061 -1.627 6.374 596 HB3 TRP 82 HB2 TRP 82 -0.445 -2.383 4.829 597 HD1 TRP 82 HD TRP 82 -0.899 -4.979 4.794 598 HE1 TRP 82 HE1 TRP 82 -1.404 -6.684 6.660 599 HE3 TRP 82 HE3 TRP 82 0.455 -2.238 8.884 600 HZ2 TRP 82 HZ2 TRP 82 -1.255 -6.863 9.511 601 HZ3 TRP 82 HZ3 TRP 82 0.265 -3.198 11.160 602 HH2 TRP 82 HH2 TRP 82 -0.588 -5.505 11.479 603 H CYS 83 H CYS 83 3.408 -4.266 5.961 604 HA CYS 83 HA CYS 83 2.974 -5.840 3.501 605 HB2 CYS 83 HB3 CYS 83 5.252 -5.102 4.773 606 HB3 CYS 83 HB2 CYS 83 4.994 -6.686 5.491 607 H TYR 84 H TYR 84 1.311 -7.351 3.731 608 HA TYR 84 HA TYR 84 0.686 -8.518 6.321 609 HB2 TYR 84 HB3 TYR 84 -0.851 -8.359 4.191 610 HB3 TYR 84 HB2 TYR 84 -0.016 -9.830 3.686 611 HD1 TYR 84 HD1 TYR 84 -2.036 -8.337 6.438 612 HD2 TYR 84 HD2 TYR 84 -0.536 -11.937 4.639 613 HE1 TYR 84 HE1 TYR 84 -3.487 -9.688 7.929 614 HE2 TYR 84 HE2 TYR 84 -1.988 -13.288 6.128 615 HH TYR 84 HH TYR 84 -4.306 -11.744 8.326 616 H ALA 85 H ALA 85 3.328 -8.729 4.484 617 HA ALA 85 HA ALA 85 3.830 -11.615 4.957 618 HB1 ALA 85 HB1 ALA 85 4.529 -11.092 2.759 619 HB2 ALA 85 HB2 ALA 85 6.020 -11.005 3.689 620 HB3 ALA 85 HB3 ALA 85 5.175 -9.524 3.243 621 H CYS 86 H CYS 86 5.853 -8.641 5.128 622 HA CYS 86 HA CYS 86 7.374 -9.604 7.369 623 HB2 CYS 86 HB3 CYS 86 6.850 -6.714 6.568 624 HB3 CYS 86 HB2 CYS 86 8.191 -7.307 7.542 625 H GLU 87 H GLU 87 4.249 -8.550 6.880 626 HA GLU 87 HA GLU 87 2.492 -7.891 8.268 627 HB2 GLU 87 HB3 GLU 87 3.868 -10.150 9.335 628 HB3 GLU 87 HB2 GLU 87 3.337 -9.154 10.679 629 HG2 GLU 87 HG3 GLU 87 1.502 -9.916 8.405 630 HG3 GLU 87 HG2 GLU 87 1.659 -10.888 9.867 631 H LYS 88 H LYS 88 3.808 -5.745 8.062 632 HA LYS 88 HA LYS 88 3.766 -4.513 10.710 633 HB2 LYS 88 HB3 LYS 88 6.149 -3.584 10.356 634 HB3 LYS 88 HB2 LYS 88 6.016 -5.256 10.904 635 HG2 LYS 88 HG3 LYS 88 6.379 -6.096 8.686 636 HG3 LYS 88 HG2 LYS 88 6.240 -4.487 7.985 637 HD2 LYS 88 HD3 LYS 88 8.597 -5.064 8.123 638 HD3 LYS 88 HD2 LYS 88 8.260 -3.799 9.304 639 HE2 LYS 88 HE3 LYS 88 8.017 -6.652 10.188 640 HE3 LYS 88 HE2 LYS 88 9.633 -5.975 9.988 641 HZ1 LYS 88 HZ1 LYS 88 7.692 -5.466 12.022 642 HZ2 LYS 88 HZ2 LYS 88 8.246 -4.030 11.303 643 HZ3 LYS 88 HZ3 LYS 88 9.351 -5.116 12.001 644 H GLU 89 H GLU 89 4.751 -2.094 10.273 645 HA GLU 89 HA GLU 89 3.416 -1.169 7.758 646 HB2 GLU 89 HB3 GLU 89 3.043 -0.389 10.444 647 HB3 GLU 89 HB2 GLU 89 3.948 0.930 9.707 648 HG2 GLU 89 HG3 GLU 89 2.275 1.348 8.104 649 HG3 GLU 89 HG2 GLU 89 1.539 -0.239 8.315 650 H VAL 90 H VAL 90 4.575 0.296 6.392 651 HA VAL 90 HA VAL 90 7.258 1.151 7.304 652 HB VAL 90 HB VAL 90 7.970 0.158 4.852 653 HG11 VAL 90 HG11 VAL 90 9.120 -0.147 7.061 654 HG12 VAL 90 HG12 VAL 90 9.102 -1.610 6.077 655 HG13 VAL 90 HG13 VAL 90 7.982 -1.442 7.428 656 HG21 VAL 90 HG21 VAL 90 5.588 -0.901 4.845 657 HG22 VAL 90 HG22 VAL 90 6.249 -2.024 6.030 658 HG23 VAL 90 HG23 VAL 90 6.957 -1.926 4.417 659 H PHE 91 H PHE 91 8.030 2.927 6.159 660 HA PHE 91 HA PHE 91 6.057 4.243 4.352 661 HB2 PHE 91 HB3 PHE 91 8.454 5.377 5.823 662 HB3 PHE 91 HB2 PHE 91 7.342 6.301 4.820 663 HD1 PHE 91 HD1 PHE 91 7.334 3.958 7.754 664 HD2 PHE 91 HD2 PHE 91 5.472 7.309 5.814 665 HE1 PHE 91 HE1 PHE 91 5.811 4.235 9.692 666 HE2 PHE 91 HE2 PHE 91 3.949 7.584 7.752 667 HZ PHE 91 HZ PHE 91 4.119 6.047 9.691 668 H LEU 92 H LEU 92 7.153 5.612 2.597 669 HA LEU 92 HA LEU 92 8.621 4.039 0.814 670 HB2 LEU 92 HB3 LEU 92 8.489 7.033 1.216 671 HB3 LEU 92 HB2 LEU 92 9.504 6.333 -0.043 672 HG LEU 92 HG LEU 92 7.214 6.981 -0.842 673 HD11 LEU 92 HD11 LEU 92 8.698 4.893 -1.626 674 HD12 LEU 92 HD12 LEU 92 7.100 5.200 -2.302 675 HD13 LEU 92 HD13 LEU 92 7.299 3.998 -1.030 676 HD21 LEU 92 HD21 LEU 92 6.260 4.641 0.826 677 HD22 LEU 92 HD22 LEU 92 5.280 5.781 -0.094 678 HD23 LEU 92 HD23 LEU 92 6.120 6.316 1.360 679 H GLU 93 H GLU 93 10.843 3.759 0.492 680 HA GLU 93 HA GLU 93 12.529 3.457 2.681 681 HB2 GLU 93 HB3 GLU 93 14.422 3.611 0.979 682 HB3 GLU 93 HB2 GLU 93 13.157 2.438 0.623 683 HG2 GLU 93 HG3 GLU 93 12.294 4.905 -0.505 684 HG3 GLU 93 HG2 GLU 93 13.988 4.714 -0.948 685 H GLN 94 H GLN 94 11.327 6.377 1.771 686 HA GLN 94 HA GLN 94 11.878 8.570 2.357 687 HB2 GLN 94 HB3 GLN 94 14.159 7.431 3.975 688 HB3 GLN 94 HB2 GLN 94 13.240 8.906 4.269 689 HG2 GLN 94 HG3 GLN 94 11.186 7.403 4.536 690 HG3 GLN 94 HG2 GLN 94 12.314 6.048 4.599 691 HE21 GLN 94 HE21 GLN 94 12.318 9.365 6.043 692 HE22 GLN 94 HE22 GLN 94 12.658 8.831 7.618 693 H ARG 95 H ARG 95 14.360 6.469 1.083 694 HA ARG 95 HA ARG 95 16.501 8.191 0.656 695 HB2 ARG 95 HB3 ARG 95 17.221 6.686 -0.941 696 HB3 ARG 95 HB2 ARG 95 15.962 5.711 -0.197 697 HG2 ARG 95 HG3 ARG 95 15.489 5.510 -2.485 698 HG3 ARG 95 HG2 ARG 95 14.382 6.775 -1.969 699 HD2 ARG 95 HD3 ARG 95 15.281 8.100 -3.570 700 HD3 ARG 95 HD2 ARG 95 16.786 8.107 -2.652 701 HE ARG 95 HE ARG 95 16.893 5.734 -4.076 702 HH11 ARG 95 HH11 ARG 95 17.808 5.599 -6.139 703 HH12 ARG 95 HH12 ARG 95 17.874 7.012 -7.138 704 HH21 ARG 95 HH21 ARG 95 16.353 9.063 -4.791 705 HH22 ARG 95 HH22 ARG 95 17.049 8.974 -6.374 706 H LEU 96 H LEU 96 13.371 8.194 -0.918 707 HA LEU 96 HA LEU 96 14.225 10.434 -2.685 708 HB2 LEU 96 HB3 LEU 96 12.000 10.106 -3.761 709 HB3 LEU 96 HB2 LEU 96 12.993 8.651 -3.793 710 HG LEU 96 HG LEU 96 11.671 8.314 -1.413 711 HD11 LEU 96 HD11 LEU 96 10.252 10.279 -1.732 712 HD12 LEU 96 HD12 LEU 96 9.274 8.820 -1.885 713 HD13 LEU 96 HD13 LEU 96 9.770 9.703 -3.328 714 HD21 LEU 96 HD21 LEU 96 10.192 6.759 -2.698 715 HD22 LEU 96 HD22 LEU 96 11.892 6.609 -3.145 716 HD23 LEU 96 HD23 LEU 96 10.779 7.487 -4.192 717 H ALA 97 H ALA 97 12.280 12.096 -2.946 718 HA ALA 97 HA ALA 97 10.652 12.654 -0.646 719 HB1 ALA 97 HB1 ALA 97 12.644 13.220 0.536 720 HB2 ALA 97 HB2 ALA 97 11.951 14.760 0.027 721 HB3 ALA 97 HB3 ALA 97 13.315 14.072 -0.855 722 H ALA 98 H ALA 98 9.242 14.394 -1.083 723 HA ALA 98 HA ALA 98 9.797 16.205 -3.326 724 HB1 ALA 98 HB1 ALA 98 7.426 14.323 -3.496 725 HB2 ALA 98 HB2 ALA 98 8.926 14.095 -4.396 726 HB3 ALA 98 HB3 ALA 98 7.925 15.515 -4.696 727 HA PRO 99 HA PRO 99 7.298 17.711 0.409 728 HB2 PRO 99 HB3 PRO 99 8.879 20.097 -0.479 729 HB3 PRO 99 HB2 PRO 99 8.516 19.534 1.165 730 HG2 PRO 99 HG3 PRO 99 10.913 19.158 0.065 731 HG3 PRO 99 HG2 PRO 99 10.181 17.950 1.136 732 HD2 PRO 99 HD3 PRO 99 10.543 17.861 -1.821 733 HD3 PRO 99 HD2 PRO 99 10.452 16.525 -0.654 Start of MODEL 9 1 H1 MET 1 H1 MET 1 20.665 -7.076 0.488 2 HA MET 1 HA MET 1 19.778 -5.308 -1.458 3 HB2 MET 1 HB3 MET 1 18.514 -7.493 0.208 4 HB3 MET 1 HB2 MET 1 17.626 -6.664 -1.072 5 HG2 MET 1 HG3 MET 1 19.205 -7.378 -2.740 6 HG3 MET 1 HG2 MET 1 20.312 -7.989 -1.512 7 HE1 MET 1 HE1 MET 1 20.436 -10.573 -1.118 8 HE2 MET 1 HE2 MET 1 19.018 -11.194 -0.275 9 HE3 MET 1 HE3 MET 1 19.713 -9.647 0.205 10 H GLY 2 H GLY 2 18.760 -3.375 -1.297 11 HA2 GLY 2 HA3 GLY 2 17.145 -1.821 -0.492 12 HA3 GLY 2 HA2 GLY 2 16.834 -2.892 0.875 13 H ASP 3 H ASP 3 18.952 -3.132 2.318 14 HA ASP 3 HA ASP 3 20.325 -2.027 3.867 15 HB2 ASP 3 HB3 ASP 3 21.640 -1.759 1.704 16 HB3 ASP 3 HB2 ASP 3 20.933 -0.148 1.570 17 H SER 4 H SER 4 18.292 -1.295 4.937 18 HA SER 4 HA SER 4 18.344 1.490 5.534 19 HB2 SER 4 HB3 SER 4 16.814 0.773 3.184 20 HB3 SER 4 HB2 SER 4 15.751 1.437 4.421 21 HG SER 4 HG SER 4 18.117 2.782 4.199 22 H ARG 5 H ARG 5 15.797 1.965 6.415 23 HA ARG 5 HA ARG 5 15.189 -0.388 8.170 24 HB2 ARG 5 HB3 ARG 5 14.453 2.260 9.239 25 HB3 ARG 5 HB2 ARG 5 15.289 0.924 10.031 26 HG2 ARG 5 HG3 ARG 5 17.373 1.551 8.810 27 HG3 ARG 5 HG2 ARG 5 16.524 2.939 8.131 28 HD2 ARG 5 HD3 ARG 5 17.562 3.888 9.996 29 HD3 ARG 5 HD2 ARG 5 15.971 3.484 10.642 30 HE ARG 5 HE ARG 5 17.511 1.222 11.136 31 HH11 ARG 5 HH11 ARG 5 18.656 0.948 13.067 32 HH12 ARG 5 HH12 ARG 5 19.116 2.339 13.990 33 HH21 ARG 5 HH21 ARG 5 17.697 4.603 11.780 34 HH22 ARG 5 HH22 ARG 5 18.573 4.410 13.262 35 H ASP 6 H ASP 6 13.782 2.712 7.064 36 HA ASP 6 HA ASP 6 11.061 1.925 7.411 37 HB2 ASP 6 HB3 ASP 6 12.385 4.234 6.646 38 HB3 ASP 6 HB2 ASP 6 11.566 3.759 5.160 39 H LEU 7 H LEU 7 13.373 1.346 4.843 40 HA LEU 7 HA LEU 7 11.462 0.557 2.848 41 HB2 LEU 7 HB3 LEU 7 13.288 0.233 1.515 42 HB3 LEU 7 HB2 LEU 7 14.126 1.077 2.807 43 HG LEU 7 HG LEU 7 15.426 -0.854 2.306 44 HD11 LEU 7 HD11 LEU 7 14.234 -0.534 4.862 45 HD12 LEU 7 HD12 LEU 7 15.780 -1.272 4.468 46 HD13 LEU 7 HD13 LEU 7 14.332 -2.268 4.553 47 HD21 LEU 7 HD21 LEU 7 13.501 -2.976 2.887 48 HD22 LEU 7 HD22 LEU 7 14.598 -2.794 1.522 49 HD23 LEU 7 HD23 LEU 7 13.024 -2.009 1.490 50 H CYS 8 H CYS 8 11.059 -1.665 2.106 51 HA CYS 8 HA CYS 8 11.370 -3.716 4.263 52 HB2 CYS 8 HB3 CYS 8 9.119 -3.838 4.466 53 HB3 CYS 8 HB2 CYS 8 8.913 -2.607 3.223 54 HA PRO 9 HA PRO 9 13.106 -6.467 1.302 55 HB2 PRO 9 HB3 PRO 9 11.509 -8.736 1.627 56 HB3 PRO 9 HB2 PRO 9 12.858 -8.290 2.679 57 HG2 PRO 9 HG3 PRO 9 9.960 -7.770 3.037 58 HG3 PRO 9 HG2 PRO 9 11.123 -8.345 4.231 59 HD2 PRO 9 HD3 PRO 9 10.387 -5.793 4.255 60 HD3 PRO 9 HD2 PRO 9 12.110 -6.195 4.460 61 H HIS 10 H HIS 10 9.588 -7.003 1.290 62 HA HIS 10 HA HIS 10 9.515 -7.494 -1.579 63 HB2 HIS 10 HB3 HIS 10 7.046 -6.781 -0.000 64 HB3 HIS 10 HB2 HIS 10 7.248 -7.965 -1.290 65 HD2 HIS 10 HD2 HIS 10 8.072 -10.509 -0.466 66 HE1 HIS 10 HE1 HIS 10 8.370 -9.646 3.652 67 HE2 HIS 10 HE2 HIS 10 8.433 -11.490 1.918 68 H LEU 11 H LEU 11 9.932 -4.712 0.146 69 HA LEU 11 HA LEU 11 8.183 -2.925 -1.312 70 HB2 LEU 11 HB3 LEU 11 9.271 -2.521 0.962 71 HB3 LEU 11 HB2 LEU 11 10.753 -2.178 0.081 72 HG LEU 11 HG LEU 11 8.180 -0.784 -0.652 73 HD11 LEU 11 HD11 LEU 11 9.764 -0.436 1.809 74 HD12 LEU 11 HD12 LEU 11 8.122 0.081 1.440 75 HD13 LEU 11 HD13 LEU 11 9.490 1.056 0.909 76 HD21 LEU 11 HD21 LEU 11 10.411 0.928 -0.852 77 HD22 LEU 11 HD22 LEU 11 9.581 0.120 -2.178 78 HD23 LEU 11 HD23 LEU 11 10.986 -0.634 -1.432 79 H ASP 12 H ASP 12 11.278 -4.361 -1.924 80 HA ASP 12 HA ASP 12 11.936 -2.437 -4.065 81 HB2 ASP 12 HB3 ASP 12 13.695 -3.500 -2.601 82 HB3 ASP 12 HB2 ASP 12 13.310 -5.044 -3.362 83 H SER 13 H SER 13 10.329 -5.473 -3.661 84 HA SER 13 HA SER 13 10.603 -6.270 -6.475 85 HB2 SER 13 HB3 SER 13 10.362 -7.848 -4.452 86 HB3 SER 13 HB2 SER 13 8.655 -7.414 -4.467 87 HG SER 13 HG SER 13 9.297 -7.945 -6.949 88 H ILE 14 H ILE 14 8.346 -4.459 -4.523 89 HA ILE 14 HA ILE 14 6.142 -4.686 -6.440 90 HB ILE 14 HB ILE 14 5.153 -2.834 -5.013 91 HG12 ILE 14 HG13 ILE 14 6.324 -2.523 -2.800 92 HG13 ILE 14 HG12 ILE 14 7.735 -3.304 -3.498 93 HG21 ILE 14 HG21 ILE 14 6.118 -5.164 -3.353 94 HG22 ILE 14 HG22 ILE 14 4.955 -5.390 -4.654 95 HG23 ILE 14 HG23 ILE 14 4.557 -4.349 -3.288 96 HD11 ILE 14 HD11 ILE 14 7.445 -0.656 -3.543 97 HD12 ILE 14 HD12 ILE 14 6.520 -1.022 -4.998 98 HD13 ILE 14 HD13 ILE 14 8.210 -1.517 -4.876 99 H GLY 15 H GLY 15 9.041 -3.133 -6.642 100 HA2 GLY 15 HA3 GLY 15 9.833 -1.294 -7.877 101 HA3 GLY 15 HA2 GLY 15 8.494 -1.672 -8.958 102 H GLU 16 H GLU 16 7.812 0.418 -9.421 103 HA GLU 16 HA GLU 16 6.578 1.904 -7.153 104 HB2 GLU 16 HB3 GLU 16 8.686 3.036 -7.443 105 HB3 GLU 16 HB2 GLU 16 8.509 3.039 -9.196 106 HG2 GLU 16 HG3 GLU 16 7.971 5.239 -7.986 107 HG3 GLU 16 HG2 GLU 16 6.756 4.657 -9.123 108 H VAL 17 H VAL 17 4.479 1.470 -7.871 109 HA VAL 17 HA VAL 17 3.653 1.553 -10.613 110 HB VAL 17 HB VAL 17 1.334 1.859 -9.595 111 HG11 VAL 17 HG11 VAL 17 3.030 -0.363 -8.420 112 HG12 VAL 17 HG12 VAL 17 2.395 -0.359 -10.065 113 HG13 VAL 17 HG13 VAL 17 1.288 -0.401 -8.692 114 HG21 VAL 17 HG21 VAL 17 2.804 1.465 -6.980 115 HG22 VAL 17 HG22 VAL 17 1.097 1.836 -7.220 116 HG23 VAL 17 HG23 VAL 17 2.321 3.061 -7.554 117 H THR 18 H THR 18 1.575 3.305 -10.880 118 HA THR 18 HA THR 18 2.936 5.820 -11.305 119 HB THR 18 HB THR 18 0.154 6.291 -11.394 120 HG1 THR 18 HG1 THR 18 0.392 3.790 -11.235 121 HG21 THR 18 HG21 THR 18 1.824 7.078 -13.022 122 HG22 THR 18 HG22 THR 18 0.512 6.226 -13.834 123 HG23 THR 18 HG23 THR 18 2.062 5.422 -13.585 124 H LYS 19 H LYS 19 3.137 7.509 -9.937 125 HA LYS 19 HA LYS 19 2.460 7.365 -7.182 126 HB2 LYS 19 HB3 LYS 19 2.597 10.005 -7.462 127 HB3 LYS 19 HB2 LYS 19 4.049 9.019 -7.622 128 HG2 LYS 19 HG3 LYS 19 2.701 9.110 -10.178 129 HG3 LYS 19 HG2 LYS 19 2.890 10.744 -9.577 130 HD2 LYS 19 HD3 LYS 19 4.882 10.231 -10.823 131 HD3 LYS 19 HD2 LYS 19 5.331 10.184 -9.119 132 HE2 LYS 19 HE3 LYS 19 6.286 8.200 -9.975 133 HE3 LYS 19 HE2 LYS 19 4.770 7.642 -9.275 134 HZ1 LYS 19 HZ1 LYS 19 4.835 8.507 -12.082 135 HZ2 LYS 19 HZ2 LYS 19 3.804 7.391 -11.323 136 HZ3 LYS 19 HZ3 LYS 19 5.410 6.964 -11.675 137 H GLU 20 H GLU 20 0.947 9.364 -9.712 138 HA GLU 20 HA GLU 20 -1.295 10.283 -8.443 139 HB2 GLU 20 HB3 GLU 20 -1.011 10.914 -10.685 140 HB3 GLU 20 HB2 GLU 20 -0.933 9.235 -11.229 141 HG2 GLU 20 HG3 GLU 20 -3.336 8.980 -10.509 142 HG3 GLU 20 HG2 GLU 20 -3.367 10.709 -10.173 143 H ASP 21 H ASP 21 -0.707 7.031 -9.670 144 HA ASP 21 HA ASP 21 -3.264 5.903 -9.318 145 HB2 ASP 21 HB3 ASP 21 -1.011 4.786 -10.089 146 HB3 ASP 21 HB2 ASP 21 -0.825 4.397 -8.380 147 H LEU 22 H LEU 22 -0.721 6.528 -6.946 148 HA LEU 22 HA LEU 22 -2.235 5.500 -4.705 149 HB2 LEU 22 HB3 LEU 22 -0.077 7.585 -4.453 150 HB3 LEU 22 HB2 LEU 22 -0.461 6.258 -3.355 151 HG LEU 22 HG LEU 22 0.812 6.040 -6.098 152 HD11 LEU 22 HD11 LEU 22 2.404 6.667 -4.392 153 HD12 LEU 22 HD12 LEU 22 2.630 4.949 -4.724 154 HD13 LEU 22 HD13 LEU 22 1.760 5.462 -3.277 155 HD21 LEU 22 HD21 LEU 22 0.918 3.570 -5.474 156 HD22 LEU 22 HD22 LEU 22 -0.684 4.173 -5.892 157 HD23 LEU 22 HD23 LEU 22 -0.249 3.929 -4.201 158 H LEU 23 H LEU 23 -2.193 8.384 -6.524 159 HA LEU 23 HA LEU 23 -3.467 10.045 -4.477 160 HB2 LEU 23 HB3 LEU 23 -3.156 10.490 -7.467 161 HB3 LEU 23 HB2 LEU 23 -3.533 11.722 -6.286 162 HG LEU 23 HG LEU 23 -0.951 10.139 -6.518 163 HD11 LEU 23 HD11 LEU 23 0.002 12.098 -7.275 164 HD12 LEU 23 HD12 LEU 23 -1.054 13.122 -6.303 165 HD13 LEU 23 HD13 LEU 23 -1.646 12.425 -7.810 166 HD21 LEU 23 HD21 LEU 23 -2.050 11.834 -4.266 167 HD22 LEU 23 HD22 LEU 23 -0.311 11.722 -4.536 168 HD23 LEU 23 HD23 LEU 23 -1.240 10.267 -4.181 169 H LEU 24 H LEU 24 -4.590 8.638 -7.628 170 HA LEU 24 HA LEU 24 -7.331 9.315 -7.104 171 HB2 LEU 24 HB3 LEU 24 -7.945 7.682 -8.794 172 HB3 LEU 24 HB2 LEU 24 -6.559 8.615 -9.366 173 HG LEU 24 HG LEU 24 -5.271 6.549 -8.150 174 HD11 LEU 24 HD11 LEU 24 -7.710 5.278 -9.422 175 HD12 LEU 24 HD12 LEU 24 -7.560 5.496 -7.681 176 HD13 LEU 24 HD13 LEU 24 -6.415 4.472 -8.543 177 HD21 LEU 24 HD21 LEU 24 -4.778 7.232 -10.400 178 HD22 LEU 24 HD22 LEU 24 -6.378 6.753 -10.962 179 HD23 LEU 24 HD23 LEU 24 -5.207 5.525 -10.485 180 H LYS 25 H LYS 25 -5.370 6.413 -6.387 181 HA LYS 25 HA LYS 25 -7.369 4.782 -5.285 182 HB2 LYS 25 HB3 LYS 25 -4.494 5.265 -4.480 183 HB3 LYS 25 HB2 LYS 25 -5.502 4.112 -3.610 184 HG2 LYS 25 HG3 LYS 25 -5.798 2.749 -5.534 185 HG3 LYS 25 HG2 LYS 25 -5.231 4.014 -6.617 186 HD2 LYS 25 HD3 LYS 25 -2.978 3.725 -5.973 187 HD3 LYS 25 HD2 LYS 25 -3.416 2.869 -4.499 188 HE2 LYS 25 HE3 LYS 25 -4.325 1.009 -5.925 189 HE3 LYS 25 HE2 LYS 25 -3.700 1.853 -7.340 190 HZ1 LYS 25 HZ1 LYS 25 -1.487 1.714 -6.431 191 HZ2 LYS 25 HZ2 LYS 25 -2.165 0.159 -6.515 192 HZ3 LYS 25 HZ3 LYS 25 -2.067 0.967 -5.024 193 H SER 26 H SER 26 -5.641 7.518 -3.854 194 HA SER 26 HA SER 26 -7.022 7.467 -1.314 195 HB2 SER 26 HB3 SER 26 -4.791 8.679 -2.022 196 HB3 SER 26 HB2 SER 26 -5.861 9.954 -2.570 197 HG SER 26 HG SER 26 -5.359 10.368 -0.448 198 H LYS 27 H LYS 27 -8.382 7.715 -4.203 199 HA LYS 27 HA LYS 27 -9.712 10.132 -4.459 200 HB2 LYS 27 HB3 LYS 27 -11.698 8.672 -5.332 201 HB3 LYS 27 HB2 LYS 27 -10.168 8.668 -6.200 202 HG2 LYS 27 HG3 LYS 27 -9.706 6.498 -5.668 203 HG3 LYS 27 HG2 LYS 27 -10.395 6.638 -4.044 204 HD2 LYS 27 HD3 LYS 27 -11.776 5.134 -5.373 205 HD3 LYS 27 HD2 LYS 27 -12.678 6.623 -5.089 206 HE2 LYS 27 HE3 LYS 27 -12.007 7.466 -7.304 207 HE3 LYS 27 HE2 LYS 27 -11.078 5.995 -7.589 208 HZ1 LYS 27 HZ1 LYS 27 -12.962 5.247 -8.493 209 HZ2 LYS 27 HZ2 LYS 27 -13.922 6.437 -7.752 210 HZ3 LYS 27 HZ3 LYS 27 -13.496 5.031 -6.898 211 H GLY 28 H GLY 28 -10.880 7.375 -2.417 212 HA2 GLY 28 HA3 GLY 28 -11.663 8.565 -0.191 213 HA3 GLY 28 HA2 GLY 28 -12.854 9.272 -1.266 214 H THR 29 H THR 29 -12.085 6.116 -2.269 215 HA THR 29 HA THR 29 -13.943 4.807 -0.425 216 HB THR 29 HB THR 29 -15.165 4.296 -2.890 217 HG1 THR 29 HG1 THR 29 -14.272 6.924 -2.621 218 HG21 THR 29 HG21 THR 29 -17.091 5.333 -1.894 219 HG22 THR 29 HG22 THR 29 -16.078 6.303 -0.826 220 HG23 THR 29 HG23 THR 29 -16.190 4.560 -0.590 221 H CYS 30 H CYS 30 -13.982 2.533 -0.669 222 HA CYS 30 HA CYS 30 -11.642 1.294 -1.823 223 HB2 CYS 30 HB3 CYS 30 -12.783 0.277 0.101 224 HB3 CYS 30 HB2 CYS 30 -14.255 0.083 -0.847 225 H GLN 31 H GLN 31 -11.461 0.259 -3.863 226 HA GLN 31 HA GLN 31 -13.482 1.018 -5.821 227 HB2 GLN 31 HB3 GLN 31 -12.049 -0.235 -7.429 228 HB3 GLN 31 HB2 GLN 31 -11.177 1.008 -6.540 229 HG2 GLN 31 HG3 GLN 31 -9.746 -0.872 -6.461 230 HG3 GLN 31 HG2 GLN 31 -10.547 -0.884 -4.895 231 HE21 GLN 31 HE21 GLN 31 -9.924 -3.301 -5.053 232 HE22 GLN 31 HE22 GLN 31 -11.017 -4.333 -5.842 233 H SER 32 H SER 32 -13.145 -1.629 -3.718 234 HA SER 32 HA SER 32 -14.934 -3.285 -5.462 235 HB2 SER 32 HB3 SER 32 -13.007 -4.083 -3.270 236 HB3 SER 32 HB2 SER 32 -14.202 -5.182 -3.953 237 HG SER 32 HG SER 32 -13.253 -4.693 -6.023 238 H CYS 33 H CYS 33 -14.758 -1.431 -2.590 239 HA CYS 33 HA CYS 33 -17.386 -2.573 -1.714 240 HB2 CYS 33 HB3 CYS 33 -15.270 -1.415 0.123 241 HB3 CYS 33 HB2 CYS 33 -16.775 -2.184 0.597 242 H GLY 34 H GLY 34 -15.443 0.270 -2.365 243 HA2 GLY 34 HA3 GLY 34 -16.032 2.544 -2.340 244 HA3 GLY 34 HA2 GLY 34 -17.652 1.979 -2.750 245 H VAL 35 H VAL 35 -15.475 2.177 0.062 246 HA VAL 35 HA VAL 35 -17.874 2.547 1.792 247 HB VAL 35 HB VAL 35 -16.239 1.924 3.650 248 HG11 VAL 35 HG11 VAL 35 -17.455 0.287 1.552 249 HG12 VAL 35 HG12 VAL 35 -17.383 0.003 3.288 250 HG13 VAL 35 HG13 VAL 35 -16.048 -0.507 2.256 251 HG21 VAL 35 HG21 VAL 35 -14.529 0.962 1.349 252 HG22 VAL 35 HG22 VAL 35 -14.126 1.003 3.064 253 HG23 VAL 35 HG23 VAL 35 -14.229 2.502 2.148 254 H THR 36 H THR 36 -14.613 3.993 1.207 255 HA THR 36 HA THR 36 -15.372 6.637 1.530 256 HB THR 36 HB THR 36 -16.221 6.451 3.711 257 HG1 THR 36 HG1 THR 36 -13.971 6.919 4.943 258 HG21 THR 36 HG21 THR 36 -15.861 4.381 4.614 259 HG22 THR 36 HG22 THR 36 -14.486 5.163 5.387 260 HG23 THR 36 HG23 THR 36 -14.253 4.245 3.902 261 H GLY 37 H GLY 37 -13.417 7.957 2.686 262 HA2 GLY 37 HA3 GLY 37 -10.985 6.970 1.335 263 HA3 GLY 37 HA2 GLY 37 -11.236 8.593 1.942 264 HA PRO 38 HA PRO 38 -9.176 8.077 5.728 265 HB2 PRO 38 HB3 PRO 38 -11.381 7.763 7.551 266 HB3 PRO 38 HB2 PRO 38 -10.359 9.183 7.291 267 HG2 PRO 38 HG3 PRO 38 -13.046 8.625 6.283 268 HG3 PRO 38 HG2 PRO 38 -12.178 10.164 6.377 269 HD2 PRO 38 HD3 PRO 38 -12.692 8.856 4.011 270 HD3 PRO 38 HD2 PRO 38 -11.318 9.958 4.241 271 H ASN 39 H ASN 39 -8.188 6.310 6.412 272 HA ASN 39 HA ASN 39 -7.849 4.146 7.243 273 HB2 ASN 39 HB3 ASN 39 -10.304 4.699 8.237 274 HB3 ASN 39 HB2 ASN 39 -10.722 3.388 7.135 275 HD21 ASN 39 HD21 ASN 39 -7.866 3.964 9.277 276 HD22 ASN 39 HD22 ASN 39 -7.963 2.456 10.051 277 H LEU 40 H LEU 40 -8.259 4.915 4.320 278 HA LEU 40 HA LEU 40 -9.347 2.442 3.160 279 HB2 LEU 40 HB3 LEU 40 -8.185 4.980 2.066 280 HB3 LEU 40 HB2 LEU 40 -8.133 3.554 1.042 281 HG LEU 40 HG LEU 40 -10.589 4.913 2.189 282 HD11 LEU 40 HD11 LEU 40 -11.140 5.279 -0.132 283 HD12 LEU 40 HD12 LEU 40 -9.834 4.229 -0.658 284 HD13 LEU 40 HD13 LEU 40 -9.463 5.779 0.087 285 HD21 LEU 40 HD21 LEU 40 -11.333 2.713 2.331 286 HD22 LEU 40 HD22 LEU 40 -10.200 2.142 1.105 287 HD23 LEU 40 HD23 LEU 40 -11.654 3.013 0.625 288 H TRP 41 H TRP 41 -7.788 1.374 1.437 289 HA TRP 41 HA TRP 41 -4.968 1.385 2.141 290 HB2 TRP 41 HB3 TRP 41 -6.674 -0.330 3.632 291 HB3 TRP 41 HB2 TRP 41 -5.777 -1.359 2.519 292 HD1 TRP 41 HD TRP 41 -3.019 -0.064 2.384 293 HE1 TRP 41 HE1 TRP 41 -1.475 0.077 4.444 294 HE3 TRP 41 HE3 TRP 41 -6.474 -0.545 6.114 295 HZ2 TRP 41 HZ2 TRP 41 -1.681 -0.000 7.297 296 HZ3 TRP 41 HZ3 TRP 41 -5.775 -0.508 8.490 297 HH2 TRP 41 HH2 TRP 41 -3.384 -0.237 9.086 298 H ALA 42 H ALA 42 -4.601 1.679 -0.060 299 HA ALA 42 HA ALA 42 -5.741 -0.258 -1.963 300 HB1 ALA 42 HB1 ALA 42 -4.711 1.178 -3.671 301 HB2 ALA 42 HB2 ALA 42 -3.915 2.117 -2.407 302 HB3 ALA 42 HB3 ALA 42 -5.671 2.137 -2.549 303 H CYS 43 H CYS 43 -4.560 -1.721 -3.134 304 HA CYS 43 HA CYS 43 -2.195 -2.835 -1.980 305 HB2 CYS 43 HB3 CYS 43 -3.913 -3.936 -3.551 306 HB3 CYS 43 HB2 CYS 43 -3.028 -3.162 -4.866 307 H LEU 44 H LEU 44 -0.002 -2.757 -2.808 308 HA LEU 44 HA LEU 44 0.532 -0.495 -4.690 309 HB2 LEU 44 HB3 LEU 44 0.892 0.115 -2.255 310 HB3 LEU 44 HB2 LEU 44 2.183 -1.083 -2.226 311 HG LEU 44 HG LEU 44 2.786 0.368 -4.509 312 HD11 LEU 44 HD11 LEU 44 1.987 2.385 -2.404 313 HD12 LEU 44 HD12 LEU 44 0.950 1.975 -3.769 314 HD13 LEU 44 HD13 LEU 44 2.534 2.697 -4.052 315 HD21 LEU 44 HD21 LEU 44 4.322 -0.358 -2.659 316 HD22 LEU 44 HD22 LEU 44 3.746 1.007 -1.702 317 HD23 LEU 44 HD23 LEU 44 4.622 1.291 -3.205 318 H GLN 45 H GLN 45 0.514 -3.293 -5.412 319 HA GLN 45 HA GLN 45 3.360 -4.065 -5.433 320 HB2 GLN 45 HB3 GLN 45 1.253 -5.488 -7.032 321 HB3 GLN 45 HB2 GLN 45 2.713 -6.138 -6.282 322 HG2 GLN 45 HG3 GLN 45 0.917 -4.960 -4.294 323 HG3 GLN 45 HG2 GLN 45 0.132 -6.240 -5.216 324 HE21 GLN 45 HE21 GLN 45 1.770 -5.857 -2.412 325 HE22 GLN 45 HE22 GLN 45 2.585 -7.343 -2.322 326 H VAL 46 H VAL 46 4.630 -4.162 -7.281 327 HA VAL 46 HA VAL 46 4.695 -2.115 -9.085 328 HB VAL 46 HB VAL 46 6.475 -3.773 -8.979 329 HG11 VAL 46 HG11 VAL 46 6.201 -6.005 -9.909 330 HG12 VAL 46 HG12 VAL 46 4.551 -5.630 -10.406 331 HG13 VAL 46 HG13 VAL 46 4.953 -5.739 -8.692 332 HG21 VAL 46 HG21 VAL 46 5.332 -3.910 -11.774 333 HG22 VAL 46 HG22 VAL 46 7.027 -3.848 -11.293 334 HG23 VAL 46 HG23 VAL 46 6.008 -2.420 -11.117 335 H ALA 47 H ALA 47 2.338 -4.699 -9.188 336 HA ALA 47 HA ALA 47 1.184 -3.407 -11.602 337 HB1 ALA 47 HB1 ALA 47 0.931 -5.537 -12.773 338 HB2 ALA 47 HB2 ALA 47 1.724 -6.383 -11.443 339 HB3 ALA 47 HB3 ALA 47 2.635 -5.239 -12.427 340 H CYS 48 H CYS 48 -0.001 -3.072 -9.191 341 HA CYS 48 HA CYS 48 -2.456 -4.703 -9.512 342 HB2 CYS 48 HB3 CYS 48 -0.912 -5.714 -7.721 343 HB3 CYS 48 HB2 CYS 48 -1.289 -4.281 -6.765 344 HA PRO 49 HA PRO 49 -3.373 -0.296 -8.575 345 HB2 PRO 49 HB3 PRO 49 -4.812 0.282 -10.785 346 HB3 PRO 49 HB2 PRO 49 -3.037 0.259 -10.810 347 HG2 PRO 49 HG3 PRO 49 -4.968 -1.746 -11.844 348 HG3 PRO 49 HG2 PRO 49 -3.384 -1.268 -12.478 349 HD2 PRO 49 HD3 PRO 49 -3.906 -3.559 -10.915 350 HD3 PRO 49 HD2 PRO 49 -2.301 -2.870 -11.247 351 H TYR 50 H TYR 50 -4.826 -0.733 -6.881 352 HA TYR 50 HA TYR 50 -7.655 -0.672 -7.497 353 HB2 TYR 50 HB3 TYR 50 -6.414 -3.234 -6.453 354 HB3 TYR 50 HB2 TYR 50 -8.117 -2.846 -6.215 355 HD1 TYR 50 HD1 TYR 50 -9.475 -2.194 -8.351 356 HD2 TYR 50 HD2 TYR 50 -5.728 -4.293 -8.430 357 HE1 TYR 50 HE1 TYR 50 -9.983 -3.015 -10.635 358 HE2 TYR 50 HE2 TYR 50 -6.237 -5.115 -10.713 359 HH TYR 50 HH TYR 50 -9.370 -4.739 -12.144 360 H VAL 51 H VAL 51 -8.642 0.337 -5.740 361 HA VAL 51 HA VAL 51 -6.960 0.614 -3.311 362 HB VAL 51 HB VAL 51 -7.499 2.750 -4.115 363 HG11 VAL 51 HG11 VAL 51 -9.791 3.407 -4.770 364 HG12 VAL 51 HG12 VAL 51 -10.356 1.776 -4.418 365 HG13 VAL 51 HG13 VAL 51 -9.217 2.047 -5.734 366 HG21 VAL 51 HG21 VAL 51 -8.226 2.066 -1.628 367 HG22 VAL 51 HG22 VAL 51 -9.811 2.535 -2.244 368 HG23 VAL 51 HG23 VAL 51 -8.480 3.688 -2.266 369 H GLY 52 H GLY 52 -7.400 -1.034 -1.960 370 HA2 GLY 52 HA3 GLY 52 -10.136 -2.037 -1.653 371 HA3 GLY 52 HA2 GLY 52 -8.708 -2.661 -0.837 372 H CYS 53 H CYS 53 -10.502 -2.558 0.932 373 HA CYS 53 HA CYS 53 -10.729 0.135 2.173 374 HB2 CYS 53 HB3 CYS 53 -12.011 -1.549 3.883 375 HB3 CYS 53 HB2 CYS 53 -12.823 -0.781 2.544 376 H GLY 54 H GLY 54 -10.661 0.051 4.548 377 HA2 GLY 54 HA3 GLY 54 -8.416 -1.632 5.581 378 HA3 GLY 54 HA2 GLY 54 -8.704 0.037 6.125 379 H GLU 55 H GLU 55 -8.922 -2.229 7.934 380 HA GLU 55 HA GLU 55 -11.182 -3.531 8.467 381 HB2 GLU 55 HB3 GLU 55 -11.097 -2.965 10.790 382 HB3 GLU 55 HB2 GLU 55 -9.439 -2.931 10.196 383 HG2 GLU 55 HG3 GLU 55 -9.811 -0.419 9.796 384 HG3 GLU 55 HG2 GLU 55 -11.244 -0.595 10.810 385 H SER 56 H SER 56 -11.042 -0.033 8.391 386 HA SER 56 HA SER 56 -13.387 0.961 9.260 387 HB2 SER 56 HB3 SER 56 -11.742 1.482 6.925 388 HB3 SER 56 HB2 SER 56 -13.429 1.797 6.569 389 HG SER 56 HG SER 56 -11.808 2.903 8.599 390 H PHE 57 H PHE 57 -13.081 -1.087 6.370 391 HA PHE 57 HA PHE 57 -16.041 -1.567 6.511 392 HB2 PHE 57 HB3 PHE 57 -15.397 -0.523 4.403 393 HB3 PHE 57 HB2 PHE 57 -14.216 -1.776 4.113 394 HD1 PHE 57 HD1 PHE 57 -14.871 -3.533 2.717 395 HD2 PHE 57 HD2 PHE 57 -17.840 -1.512 5.073 396 HE1 PHE 57 HE1 PHE 57 -16.633 -4.975 1.736 397 HE2 PHE 57 HE2 PHE 57 -19.600 -2.953 4.090 398 HZ PHE 57 HZ PHE 57 -18.997 -4.686 2.422 399 H ALA 58 H ALA 58 -13.889 -3.391 4.535 400 HA ALA 58 HA ALA 58 -14.166 -5.745 6.377 401 HB1 ALA 58 HB1 ALA 58 -14.043 -5.807 3.345 402 HB2 ALA 58 HB2 ALA 58 -15.540 -5.910 4.274 403 HB3 ALA 58 HB3 ALA 58 -14.322 -7.178 4.420 404 H ASP 59 H ASP 59 -12.084 -3.533 5.222 405 HA ASP 59 HA ASP 59 -9.768 -3.436 4.961 406 HB2 ASP 59 HB3 ASP 59 -9.718 -4.226 7.236 407 HB3 ASP 59 HB2 ASP 59 -10.012 -5.879 6.733 408 H HIS 60 H HIS 60 -10.544 -4.200 2.600 409 HA HIS 60 HA HIS 60 -10.120 -6.817 1.665 410 HB2 HIS 60 HB3 HIS 60 -9.973 -4.134 0.481 411 HB3 HIS 60 HB2 HIS 60 -8.890 -5.267 -0.298 412 HD2 HIS 60 HD2 HIS 60 -10.420 -7.834 -0.926 413 HE1 HIS 60 HE1 HIS 60 -13.910 -5.619 -1.758 414 HE2 HIS 60 HE2 HIS 60 -12.778 -7.868 -2.026 415 H SER 61 H SER 61 -7.951 -4.464 2.910 416 HA SER 61 HA SER 61 -5.430 -5.125 1.973 417 HB2 SER 61 HB3 SER 61 -6.274 -3.571 3.947 418 HB3 SER 61 HB2 SER 61 -5.803 -4.938 4.944 419 HG SER 61 HG SER 61 -4.246 -3.309 3.255 420 H THR 62 H THR 62 -7.452 -7.070 4.128 421 HA THR 62 HA THR 62 -5.268 -8.989 4.552 422 HB THR 62 HB THR 62 -7.269 -10.250 5.672 423 HG1 THR 62 HG1 THR 62 -8.788 -8.632 6.422 424 HG21 THR 62 HG21 THR 62 -6.981 -8.683 7.701 425 HG22 THR 62 HG22 THR 62 -5.900 -7.752 6.663 426 HG23 THR 62 HG23 THR 62 -5.523 -9.431 7.046 427 H ILE 63 H ILE 63 -8.662 -9.405 3.459 428 HA ILE 63 HA ILE 63 -8.201 -11.920 2.309 429 HB ILE 63 HB ILE 63 -10.206 -11.390 0.838 430 HG12 ILE 63 HG13 ILE 63 -10.342 -8.919 2.566 431 HG13 ILE 63 HG12 ILE 63 -9.643 -8.910 0.947 432 HG21 ILE 63 HG21 ILE 63 -10.383 -12.502 3.047 433 HG22 ILE 63 HG22 ILE 63 -11.752 -11.427 2.762 434 HG23 ILE 63 HG23 ILE 63 -10.444 -10.922 3.830 435 HD11 ILE 63 HD11 ILE 63 -12.416 -9.973 1.509 436 HD12 ILE 63 HD12 ILE 63 -11.711 -9.573 -0.057 437 HD13 ILE 63 HD13 ILE 63 -12.118 -8.288 1.082 438 H HIS 64 H HIS 64 -7.678 -8.723 1.038 439 HA HIS 64 HA HIS 64 -7.194 -9.522 -1.699 440 HB2 HIS 64 HB3 HIS 64 -7.736 -7.175 -1.085 441 HB3 HIS 64 HB2 HIS 64 -6.192 -7.062 -0.236 442 HD1 HIS 64 HD1 HIS 64 -7.687 -6.779 -3.581 443 HD2 HIS 64 HD2 HIS 64 -3.878 -7.409 -2.009 444 HE1 HIS 64 HE1 HIS 64 -6.052 -6.369 -5.473 445 H ALA 65 H ALA 65 -5.083 -8.940 1.127 446 HA ALA 65 HA ALA 65 -2.662 -9.594 -0.400 447 HB1 ALA 65 HB1 ALA 65 -1.642 -9.708 1.941 448 HB2 ALA 65 HB2 ALA 65 -3.234 -9.271 2.562 449 HB3 ALA 65 HB3 ALA 65 -2.361 -8.156 1.512 450 H GLN 66 H GLN 66 -5.157 -11.161 1.198 451 HA GLN 66 HA GLN 66 -3.840 -13.697 1.784 452 HB2 GLN 66 HB3 GLN 66 -5.630 -12.917 3.184 453 HB3 GLN 66 HB2 GLN 66 -6.637 -12.617 1.795 454 HG2 GLN 66 HG3 GLN 66 -7.587 -14.587 2.367 455 HG3 GLN 66 HG2 GLN 66 -6.243 -15.267 1.449 456 HE21 GLN 66 HE21 GLN 66 -4.609 -16.419 2.609 457 HE22 GLN 66 HE22 GLN 66 -4.672 -16.679 4.285 458 H ALA 67 H ALA 67 -5.976 -12.375 -0.725 459 HA ALA 67 HA ALA 67 -6.228 -14.993 -2.036 460 HB1 ALA 67 HB1 ALA 67 -8.230 -13.848 -2.257 461 HB2 ALA 67 HB2 ALA 67 -7.447 -13.396 -3.770 462 HB3 ALA 67 HB3 ALA 67 -7.437 -12.281 -2.403 463 H LYS 68 H LYS 68 -4.811 -11.813 -2.731 464 HA LYS 68 HA LYS 68 -3.496 -12.932 -5.146 465 HB2 LYS 68 HB3 LYS 68 -3.468 -10.105 -4.056 466 HB3 LYS 68 HB2 LYS 68 -2.915 -10.627 -5.644 467 HG2 LYS 68 HG3 LYS 68 -5.041 -10.019 -6.271 468 HG3 LYS 68 HG2 LYS 68 -5.421 -11.644 -5.704 469 HD2 LYS 68 HD3 LYS 68 -6.093 -10.802 -3.539 470 HD3 LYS 68 HD2 LYS 68 -5.546 -9.181 -3.953 471 HE2 LYS 68 HE3 LYS 68 -8.053 -9.578 -4.170 472 HE3 LYS 68 HE2 LYS 68 -7.259 -8.918 -5.600 473 HZ1 LYS 68 HZ1 LYS 68 -8.746 -10.760 -6.142 474 HZ2 LYS 68 HZ2 LYS 68 -7.842 -11.793 -5.141 475 HZ3 LYS 68 HZ3 LYS 68 -7.137 -11.125 -6.534 476 H LYS 69 H LYS 69 -2.877 -12.950 -1.971 477 HA LYS 69 HA LYS 69 -0.946 -13.160 -0.681 478 HB2 LYS 69 HB3 LYS 69 -0.192 -14.117 -3.406 479 HB3 LYS 69 HB2 LYS 69 1.120 -13.837 -2.263 480 HG2 LYS 69 HG3 LYS 69 0.165 -16.189 -2.245 481 HG3 LYS 69 HG2 LYS 69 0.190 -15.380 -0.678 482 HD2 LYS 69 HD3 LYS 69 -2.115 -15.123 -0.615 483 HD3 LYS 69 HD2 LYS 69 -2.267 -15.082 -2.370 484 HE2 LYS 69 HE3 LYS 69 -1.431 -17.582 -0.894 485 HE3 LYS 69 HE2 LYS 69 -3.124 -17.196 -1.200 486 HZ1 LYS 69 HZ1 LYS 69 -1.030 -17.981 -3.067 487 HZ2 LYS 69 HZ2 LYS 69 -2.139 -16.818 -3.616 488 HZ3 LYS 69 HZ3 LYS 69 -2.689 -18.335 -3.085 489 H HIS 70 H HIS 70 -1.542 -10.542 -2.299 490 HA HIS 70 HA HIS 70 1.109 -9.336 -2.614 491 HB2 HIS 70 HB3 HIS 70 -1.685 -8.148 -2.490 492 HB3 HIS 70 HB2 HIS 70 -0.233 -7.199 -2.785 493 HD2 HIS 70 HD2 HIS 70 1.000 -9.844 -4.755 494 HE1 HIS 70 HE1 HIS 70 -2.099 -8.501 -7.282 495 HE2 HIS 70 HE2 HIS 70 0.021 -9.884 -7.168 496 H ASN 71 H ASN 71 2.345 -8.631 -0.913 497 HA ASN 71 HA ASN 71 1.114 -8.632 1.769 498 HB2 ASN 71 HB3 ASN 71 3.964 -7.919 1.517 499 HB3 ASN 71 HB2 ASN 71 3.185 -9.129 2.530 500 HD21 ASN 71 HD21 ASN 71 4.689 -8.574 -0.607 501 HD22 ASN 71 HD22 ASN 71 4.690 -10.199 -1.099 502 H LEU 72 H LEU 72 2.947 -6.347 -0.273 503 HA LEU 72 HA LEU 72 2.624 -4.232 1.713 504 HB2 LEU 72 HB3 LEU 72 3.764 -4.260 -1.075 505 HB3 LEU 72 HB2 LEU 72 3.758 -2.839 -0.035 506 HG LEU 72 HG LEU 72 4.924 -5.480 0.848 507 HD11 LEU 72 HD11 LEU 72 7.138 -4.327 0.294 508 HD12 LEU 72 HD12 LEU 72 6.183 -3.190 -0.654 509 HD13 LEU 72 HD13 LEU 72 6.196 -4.899 -1.081 510 HD21 LEU 72 HD21 LEU 72 4.573 -4.043 2.718 511 HD22 LEU 72 HD22 LEU 72 5.051 -2.611 1.810 512 HD23 LEU 72 HD23 LEU 72 6.263 -3.795 2.292 513 H THR 73 H THR 73 1.281 -2.587 1.723 514 HA THR 73 HA THR 73 -0.316 -1.818 -0.620 515 HB THR 73 HB THR 73 -1.790 -3.506 0.356 516 HG1 THR 73 HG1 THR 73 -3.525 -2.203 0.692 517 HG21 THR 73 HG21 THR 73 -1.614 -1.993 2.965 518 HG22 THR 73 HG22 THR 73 -0.628 -3.412 2.617 519 HG23 THR 73 HG23 THR 73 -2.383 -3.551 2.670 520 H VAL 74 H VAL 74 -1.359 0.380 -0.108 521 HA VAL 74 HA VAL 74 0.119 1.669 2.159 522 HB VAL 74 HB VAL 74 1.150 2.487 0.206 523 HG11 VAL 74 HG11 VAL 74 -1.620 2.971 -0.946 524 HG12 VAL 74 HG12 VAL 74 -0.597 1.598 -1.360 525 HG13 VAL 74 HG13 VAL 74 -0.083 3.233 -1.768 526 HG21 VAL 74 HG21 VAL 74 0.684 4.816 0.277 527 HG22 VAL 74 HG22 VAL 74 0.213 4.227 1.870 528 HG23 VAL 74 HG23 VAL 74 -1.018 4.550 0.651 529 H ASN 75 H ASN 75 -1.028 2.733 3.606 530 HA ASN 75 HA ASN 75 -3.940 2.899 3.325 531 HB2 ASN 75 HB3 ASN 75 -2.506 2.357 5.468 532 HB3 ASN 75 HB2 ASN 75 -2.396 4.111 5.604 533 HD21 ASN 75 HD21 ASN 75 -3.950 2.089 7.287 534 HD22 ASN 75 HD22 ASN 75 -5.549 2.658 7.265 535 H LEU 76 H LEU 76 -4.506 4.515 1.903 536 HA LEU 76 HA LEU 76 -3.100 7.023 1.688 537 HB2 LEU 76 HB3 LEU 76 -5.975 6.517 0.901 538 HB3 LEU 76 HB2 LEU 76 -4.837 7.651 0.178 539 HG LEU 76 HG LEU 76 -3.727 4.966 0.142 540 HD11 LEU 76 HD11 LEU 76 -6.312 5.279 -1.389 541 HD12 LEU 76 HD12 LEU 76 -6.173 4.374 0.117 542 HD13 LEU 76 HD13 LEU 76 -5.277 3.857 -1.307 543 HD21 LEU 76 HD21 LEU 76 -3.280 7.103 -1.315 544 HD22 LEU 76 HD22 LEU 76 -4.606 6.477 -2.294 545 HD23 LEU 76 HD23 LEU 76 -3.160 5.505 -2.050 546 H THR 77 H THR 77 -4.453 5.950 4.306 547 HA THR 77 HA THR 77 -6.086 8.321 5.013 548 HB THR 77 HB THR 77 -5.380 5.865 6.647 549 HG1 THR 77 HG1 THR 77 -7.686 6.522 5.142 550 HG21 THR 77 HG21 THR 77 -5.998 7.676 8.093 551 HG22 THR 77 HG22 THR 77 -7.412 6.635 7.952 552 HG23 THR 77 HG23 THR 77 -7.332 8.142 7.040 553 H THR 78 H THR 78 -3.081 6.671 5.845 554 HA THR 78 HA THR 78 -2.249 9.098 7.388 555 HB THR 78 HB THR 78 -1.147 6.319 7.790 556 HG1 THR 78 HG1 THR 78 -2.672 6.838 9.781 557 HG21 THR 78 HG21 THR 78 -1.185 8.835 9.479 558 HG22 THR 78 HG22 THR 78 0.217 8.149 8.658 559 HG23 THR 78 HG23 THR 78 -0.529 7.284 10.001 560 H PHE 79 H PHE 79 -1.529 7.064 4.719 561 HA PHE 79 HA PHE 79 0.102 7.397 3.053 562 HB2 PHE 79 HB3 PHE 79 0.073 9.836 4.149 563 HB3 PHE 79 HB2 PHE 79 1.665 9.334 4.714 564 HD1 PHE 79 HD1 PHE 79 -0.383 10.164 1.784 565 HD2 PHE 79 HD2 PHE 79 3.463 8.792 3.117 566 HE1 PHE 79 HE1 PHE 79 0.560 10.623 -0.463 567 HE2 PHE 79 HE2 PHE 79 4.405 9.250 0.870 568 HZ PHE 79 HZ PHE 79 2.954 10.166 -0.920 569 H ARG 80 H ARG 80 0.358 5.228 4.556 570 HA ARG 80 HA ARG 80 3.291 4.937 4.815 571 HB2 ARG 80 HB3 ARG 80 2.417 3.327 6.876 572 HB3 ARG 80 HB2 ARG 80 3.149 4.913 7.092 573 HG2 ARG 80 HG3 ARG 80 1.095 5.954 7.476 574 HG3 ARG 80 HG2 ARG 80 0.187 4.725 6.592 575 HD2 ARG 80 HD3 ARG 80 0.558 3.105 8.361 576 HD3 ARG 80 HD2 ARG 80 1.602 4.230 9.226 577 HE ARG 80 HE ARG 80 -1.199 5.069 8.738 578 HH11 ARG 80 HH11 ARG 80 -2.336 5.590 10.612 579 HH12 ARG 80 HH12 ARG 80 -1.642 5.238 12.159 580 HH21 ARG 80 HH21 ARG 80 1.254 3.859 10.849 581 HH22 ARG 80 HH22 ARG 80 0.387 4.261 12.292 582 H LEU 81 H LEU 81 3.572 2.354 5.246 583 HA LEU 81 HA LEU 81 1.688 1.058 3.322 584 HB2 LEU 81 HB3 LEU 81 4.631 0.942 3.635 585 HB3 LEU 81 HB2 LEU 81 3.833 -0.532 3.121 586 HG LEU 81 HG LEU 81 3.010 1.970 1.749 587 HD11 LEU 81 HD11 LEU 81 5.731 0.714 1.297 588 HD12 LEU 81 HD12 LEU 81 5.423 2.337 1.918 589 HD13 LEU 81 HD13 LEU 81 4.991 1.931 0.257 590 HD21 LEU 81 HD21 LEU 81 2.380 0.507 0.120 591 HD22 LEU 81 HD22 LEU 81 2.651 -0.750 1.323 592 HD23 LEU 81 HD23 LEU 81 3.919 -0.349 0.170 593 H TRP 82 H TRP 82 1.808 -1.403 3.586 594 HA TRP 82 HA TRP 82 2.124 -2.293 6.377 595 HB2 TRP 82 HB3 TRP 82 -0.178 -1.492 6.387 596 HB3 TRP 82 HB2 TRP 82 -0.523 -2.373 4.901 597 HD1 TRP 82 HD TRP 82 -0.428 -5.093 5.055 598 HE1 TRP 82 HE1 TRP 82 -0.969 -6.655 7.034 599 HE3 TRP 82 HE3 TRP 82 -0.159 -1.757 8.911 600 HZ2 TRP 82 HZ2 TRP 82 -1.251 -6.507 9.877 601 HZ3 TRP 82 HZ3 TRP 82 -0.568 -2.493 11.241 602 HH2 TRP 82 HH2 TRP 82 -1.113 -4.861 11.729 603 H CYS 83 H CYS 83 3.409 -4.035 6.005 604 HA CYS 83 HA CYS 83 3.041 -5.594 3.523 605 HB2 CYS 83 HB3 CYS 83 5.286 -4.794 4.815 606 HB3 CYS 83 HB2 CYS 83 5.081 -6.397 5.512 607 H TYR 84 H TYR 84 1.462 -7.168 3.697 608 HA TYR 84 HA TYR 84 0.835 -8.402 6.257 609 HB2 TYR 84 HB3 TYR 84 -0.674 -8.248 4.111 610 HB3 TYR 84 HB2 TYR 84 0.223 -9.672 3.576 611 HD1 TYR 84 HD1 TYR 84 -1.720 -8.349 6.489 612 HD2 TYR 84 HD2 TYR 84 -0.403 -11.813 4.316 613 HE1 TYR 84 HE1 TYR 84 -3.141 -9.790 7.923 614 HE2 TYR 84 HE2 TYR 84 -1.824 -13.253 5.750 615 HH TYR 84 HH TYR 84 -3.409 -13.285 7.322 616 H ALA 85 H ALA 85 3.518 -8.485 4.464 617 HA ALA 85 HA ALA 85 4.115 -11.361 4.906 618 HB1 ALA 85 HB1 ALA 85 5.422 -9.204 3.241 619 HB2 ALA 85 HB2 ALA 85 4.781 -10.760 2.709 620 HB3 ALA 85 HB3 ALA 85 6.273 -10.695 3.643 621 H CYS 86 H CYS 86 6.028 -8.310 5.138 622 HA CYS 86 HA CYS 86 7.563 -9.260 7.378 623 HB2 CYS 86 HB3 CYS 86 6.977 -6.374 6.624 624 HB3 CYS 86 HB2 CYS 86 8.354 -6.978 7.533 625 H GLU 87 H GLU 87 4.413 -8.338 6.860 626 HA GLU 87 HA GLU 87 2.611 -7.762 8.231 627 HB2 GLU 87 HB3 GLU 87 4.057 -9.986 9.280 628 HB3 GLU 87 HB2 GLU 87 3.462 -9.038 10.632 629 HG2 GLU 87 HG3 GLU 87 1.707 -9.843 8.310 630 HG3 GLU 87 HG2 GLU 87 1.865 -10.816 9.771 631 H LYS 88 H LYS 88 3.851 -5.562 8.093 632 HA LYS 88 HA LYS 88 3.702 -4.395 10.759 633 HB2 LYS 88 HB3 LYS 88 6.112 -3.360 10.338 634 HB3 LYS 88 HB2 LYS 88 5.930 -4.921 11.135 635 HG2 LYS 88 HG3 LYS 88 6.056 -5.881 8.696 636 HG3 LYS 88 HG2 LYS 88 6.783 -4.337 8.304 637 HD2 LYS 88 HD3 LYS 88 7.999 -5.376 10.713 638 HD3 LYS 88 HD2 LYS 88 8.050 -6.609 9.472 639 HE2 LYS 88 HE3 LYS 88 10.044 -5.317 9.205 640 HE3 LYS 88 HE2 LYS 88 8.968 -4.813 7.904 641 HZ1 LYS 88 HZ1 LYS 88 9.142 -2.757 8.664 642 HZ2 LYS 88 HZ2 LYS 88 10.059 -3.269 10.000 643 HZ3 LYS 88 HZ3 LYS 88 8.363 -3.231 10.094 644 H GLU 89 H GLU 89 4.861 -1.949 10.275 645 HA GLU 89 HA GLU 89 3.412 -1.006 7.826 646 HB2 GLU 89 HB3 GLU 89 3.041 -0.289 10.532 647 HB3 GLU 89 HB2 GLU 89 3.890 1.073 9.806 648 HG2 GLU 89 HG3 GLU 89 2.184 1.460 8.233 649 HG3 GLU 89 HG2 GLU 89 1.507 -0.157 8.423 650 H VAL 90 H VAL 90 4.509 0.522 6.489 651 HA VAL 90 HA VAL 90 7.162 1.464 7.396 652 HB VAL 90 HB VAL 90 7.879 0.524 4.914 653 HG11 VAL 90 HG11 VAL 90 8.055 -1.024 7.518 654 HG12 VAL 90 HG12 VAL 90 9.129 0.296 7.058 655 HG13 VAL 90 HG13 VAL 90 9.120 -1.200 6.124 656 HG21 VAL 90 HG21 VAL 90 5.575 -0.669 4.945 657 HG22 VAL 90 HG22 VAL 90 6.297 -1.733 6.151 658 HG23 VAL 90 HG23 VAL 90 6.991 -1.635 4.533 659 H PHE 91 H PHE 91 7.874 3.269 6.249 660 HA PHE 91 HA PHE 91 5.848 4.521 4.450 661 HB2 PHE 91 HB3 PHE 91 8.210 5.742 5.909 662 HB3 PHE 91 HB2 PHE 91 7.054 6.623 4.916 663 HD1 PHE 91 HD1 PHE 91 7.166 4.284 7.852 664 HD2 PHE 91 HD2 PHE 91 5.158 7.560 5.929 665 HE1 PHE 91 HE1 PHE 91 5.657 4.507 9.806 666 HE2 PHE 91 HE2 PHE 91 3.648 7.781 7.883 667 HZ PHE 91 HZ PHE 91 3.897 6.255 9.823 668 H LEU 92 H LEU 92 6.895 5.916 2.682 669 HA LEU 92 HA LEU 92 8.436 4.375 0.927 670 HB2 LEU 92 HB3 LEU 92 8.718 7.383 1.124 671 HB3 LEU 92 HB2 LEU 92 8.819 6.373 -0.319 672 HG LEU 92 HG LEU 92 6.344 6.957 1.330 673 HD11 LEU 92 HD11 LEU 92 6.958 8.725 -0.246 674 HD12 LEU 92 HD12 LEU 92 5.536 7.869 -0.843 675 HD13 LEU 92 HD13 LEU 92 7.122 7.542 -1.544 676 HD21 LEU 92 HD21 LEU 92 6.869 4.952 -0.874 677 HD22 LEU 92 HD22 LEU 92 5.248 5.560 -0.538 678 HD23 LEU 92 HD23 LEU 92 6.130 4.671 0.703 679 H GLU 93 H GLU 93 10.671 4.236 0.592 680 HA GLU 93 HA GLU 93 12.377 4.056 2.786 681 HB2 GLU 93 HB3 GLU 93 14.247 4.255 1.075 682 HB3 GLU 93 HB2 GLU 93 13.017 3.041 0.716 683 HG2 GLU 93 HG3 GLU 93 11.832 4.801 -0.679 684 HG3 GLU 93 HG2 GLU 93 13.264 5.811 -0.478 685 H GLN 94 H GLN 94 11.006 6.887 1.833 686 HA GLN 94 HA GLN 94 11.453 9.123 2.348 687 HB2 GLN 94 HB3 GLN 94 13.795 8.151 3.985 688 HB3 GLN 94 HB2 GLN 94 12.796 9.580 4.244 689 HG2 GLN 94 HG3 GLN 94 10.829 7.964 4.556 690 HG3 GLN 94 HG2 GLN 94 12.039 6.684 4.662 691 HE21 GLN 94 HE21 GLN 94 10.221 8.595 6.630 692 HE22 GLN 94 HE22 GLN 94 11.271 8.744 7.954 693 H ARG 95 H ARG 95 13.970 7.101 1.063 694 HA ARG 95 HA ARG 95 16.062 8.877 0.592 695 HB2 ARG 95 HB3 ARG 95 16.794 7.372 -1.002 696 HB3 ARG 95 HB2 ARG 95 15.578 6.372 -0.218 697 HG2 ARG 95 HG3 ARG 95 15.042 6.113 -2.478 698 HG3 ARG 95 HG2 ARG 95 13.940 7.391 -1.983 699 HD2 ARG 95 HD3 ARG 95 14.794 8.600 -3.701 700 HD3 ARG 95 HD2 ARG 95 16.256 8.771 -2.734 701 HE ARG 95 HE ARG 95 15.871 6.883 -4.977 702 HH11 ARG 95 HH11 ARG 95 17.778 5.923 -5.705 703 HH12 ARG 95 HH12 ARG 95 19.234 6.108 -4.785 704 HH21 ARG 95 HH21 ARG 95 17.752 8.041 -2.321 705 HH22 ARG 95 HH22 ARG 95 19.218 7.305 -2.873 706 H LEU 96 H LEU 96 12.903 8.777 -0.906 707 HA LEU 96 HA LEU 96 13.645 11.019 -2.722 708 HB2 LEU 96 HB3 LEU 96 11.396 10.611 -3.727 709 HB3 LEU 96 HB2 LEU 96 12.438 9.193 -3.782 710 HG LEU 96 HG LEU 96 11.202 8.827 -1.358 711 HD11 LEU 96 HD11 LEU 96 9.707 10.740 -1.663 712 HD12 LEU 96 HD12 LEU 96 8.780 9.244 -1.752 713 HD13 LEU 96 HD13 LEU 96 9.190 10.115 -3.229 714 HD21 LEU 96 HD21 LEU 96 9.682 7.255 -2.650 715 HD22 LEU 96 HD22 LEU 96 11.402 7.074 -2.992 716 HD23 LEU 96 HD23 LEU 96 10.363 7.933 -4.128 717 H ALA 97 H ALA 97 11.624 12.615 -2.938 718 HA ALA 97 HA ALA 97 10.389 13.175 -0.310 719 HB1 ALA 97 HB1 ALA 97 12.608 14.335 -0.289 720 HB2 ALA 97 HB2 ALA 97 11.247 15.453 -0.200 721 HB3 ALA 97 HB3 ALA 97 12.111 15.235 -1.722 722 H ALA 98 H ALA 98 9.602 12.494 -3.151 723 HA ALA 98 HA ALA 98 8.055 13.221 -4.777 724 HB1 ALA 98 HB1 ALA 98 6.637 12.826 -2.755 725 HB2 ALA 98 HB2 ALA 98 5.987 14.079 -3.812 726 HB3 ALA 98 HB3 ALA 98 6.830 14.527 -2.329 727 HA PRO 99 HA PRO 99 10.307 17.371 -4.961 728 HB2 PRO 99 HB3 PRO 99 10.196 16.442 -7.808 729 HB3 PRO 99 HB2 PRO 99 11.521 17.230 -6.930 730 HG2 PRO 99 HG3 PRO 99 11.557 14.617 -7.443 731 HG3 PRO 99 HG2 PRO 99 12.204 15.276 -5.930 732 HD2 PRO 99 HD3 PRO 99 9.682 13.751 -6.388 733 HD3 PRO 99 HD2 PRO 99 10.698 13.843 -4.932 Start of MODEL 10 1 H1 MET 1 H1 MET 1 15.430 -8.409 1.625 2 HA MET 1 HA MET 1 15.442 -6.678 3.178 3 HB2 MET 1 HB3 MET 1 17.883 -8.125 2.548 4 HB3 MET 1 HB2 MET 1 18.263 -6.573 3.292 5 HG2 MET 1 HG3 MET 1 17.986 -8.280 5.026 6 HG3 MET 1 HG2 MET 1 16.682 -7.097 5.139 7 HE1 MET 1 HE1 MET 1 16.492 -9.363 6.639 8 HE2 MET 1 HE2 MET 1 15.232 -10.520 6.218 9 HE3 MET 1 HE3 MET 1 14.821 -8.821 6.433 10 H GLY 2 H GLY 2 17.699 -5.941 0.511 11 HA2 GLY 2 HA3 GLY 2 18.110 -3.861 -0.523 12 HA3 GLY 2 HA2 GLY 2 16.821 -3.169 0.463 13 H ASP 3 H ASP 3 17.562 -1.616 1.812 14 HA ASP 3 HA ASP 3 19.742 -2.078 3.640 15 HB2 ASP 3 HB3 ASP 3 21.049 -1.682 1.555 16 HB3 ASP 3 HB2 ASP 3 20.277 -0.104 1.399 17 H SER 4 H SER 4 17.974 -1.364 5.014 18 HA SER 4 HA SER 4 18.080 1.276 5.903 19 HB2 SER 4 HB3 SER 4 17.152 2.355 4.099 20 HB3 SER 4 HB2 SER 4 16.317 0.911 3.539 21 HG SER 4 HG SER 4 14.735 2.185 4.330 22 H ARG 5 H ARG 5 15.906 1.867 7.126 23 HA ARG 5 HA ARG 5 14.943 -0.665 8.391 24 HB2 ARG 5 HB3 ARG 5 14.244 1.810 9.788 25 HB3 ARG 5 HB2 ARG 5 15.116 0.401 10.387 26 HG2 ARG 5 HG3 ARG 5 17.172 1.230 9.247 27 HG3 ARG 5 HG2 ARG 5 16.286 2.676 8.760 28 HD2 ARG 5 HD3 ARG 5 15.935 3.315 11.069 29 HD3 ARG 5 HD2 ARG 5 16.615 1.792 11.640 30 HE ARG 5 HE ARG 5 18.777 2.679 11.273 31 HH11 ARG 5 HH11 ARG 5 20.184 4.342 10.672 32 HH12 ARG 5 HH12 ARG 5 19.572 5.699 9.787 33 HH21 ARG 5 HH21 ARG 5 16.314 4.515 9.709 34 HH22 ARG 5 HH22 ARG 5 17.380 5.798 9.243 35 H ASP 6 H ASP 6 13.914 2.368 6.917 36 HA ASP 6 HA ASP 6 11.073 1.844 7.364 37 HB2 ASP 6 HB3 ASP 6 12.523 4.103 6.814 38 HB3 ASP 6 HB2 ASP 6 11.853 3.743 5.225 39 H LEU 7 H LEU 7 13.439 1.208 4.861 40 HA LEU 7 HA LEU 7 11.487 0.585 2.808 41 HB2 LEU 7 HB3 LEU 7 13.299 0.366 1.435 42 HB3 LEU 7 HB2 LEU 7 14.146 1.142 2.762 43 HG LEU 7 HG LEU 7 15.463 -0.736 2.133 44 HD11 LEU 7 HD11 LEU 7 15.846 -1.302 4.256 45 HD12 LEU 7 HD12 LEU 7 14.394 -2.295 4.301 46 HD13 LEU 7 HD13 LEU 7 14.307 -0.583 4.715 47 HD21 LEU 7 HD21 LEU 7 14.654 -2.634 1.237 48 HD22 LEU 7 HD22 LEU 7 13.066 -1.872 1.272 49 HD23 LEU 7 HD23 LEU 7 13.574 -2.917 2.600 50 H CYS 8 H CYS 8 11.107 -1.605 1.949 51 HA CYS 8 HA CYS 8 11.438 -3.741 4.019 52 HB2 CYS 8 HB3 CYS 8 9.186 -3.866 4.196 53 HB3 CYS 8 HB2 CYS 8 8.985 -2.625 2.960 54 HA PRO 9 HA PRO 9 13.225 -6.370 0.972 55 HB2 PRO 9 HB3 PRO 9 11.720 -8.691 1.275 56 HB3 PRO 9 HB2 PRO 9 13.030 -8.201 2.356 57 HG2 PRO 9 HG3 PRO 9 10.108 -7.773 2.656 58 HG3 PRO 9 HG2 PRO 9 11.255 -8.352 3.866 59 HD2 PRO 9 HD3 PRO 9 10.475 -5.817 3.933 60 HD3 PRO 9 HD2 PRO 9 12.201 -6.190 4.153 61 H HIS 10 H HIS 10 9.719 -6.971 0.990 62 HA HIS 10 HA HIS 10 9.619 -7.486 -1.868 63 HB2 HIS 10 HB3 HIS 10 7.168 -6.766 -0.255 64 HB3 HIS 10 HB2 HIS 10 7.342 -7.933 -1.564 65 HD2 HIS 10 HD2 HIS 10 8.220 -10.484 -0.791 66 HE1 HIS 10 HE1 HIS 10 8.514 -9.681 3.340 67 HE2 HIS 10 HE2 HIS 10 8.597 -11.498 1.578 68 H LEU 11 H LEU 11 10.136 -4.708 -0.246 69 HA LEU 11 HA LEU 11 8.355 -2.857 -1.529 70 HB2 LEU 11 HB3 LEU 11 9.794 -2.459 0.531 71 HB3 LEU 11 HB2 LEU 11 11.159 -2.286 -0.565 72 HG LEU 11 HG LEU 11 8.619 -0.663 -0.863 73 HD11 LEU 11 HD11 LEU 11 11.163 0.181 0.547 74 HD12 LEU 11 HD12 LEU 11 9.689 -0.306 1.381 75 HD13 LEU 11 HD13 LEU 11 9.690 1.132 0.360 76 HD21 LEU 11 HD21 LEU 11 11.270 -0.778 -2.200 77 HD22 LEU 11 HD22 LEU 11 10.694 0.844 -1.823 78 HD23 LEU 11 HD23 LEU 11 9.716 -0.226 -2.822 79 H ASP 12 H ASP 12 11.563 -4.118 -2.362 80 HA ASP 12 HA ASP 12 11.822 -2.434 -4.724 81 HB2 ASP 12 HB3 ASP 12 13.797 -3.323 -3.540 82 HB3 ASP 12 HB2 ASP 12 13.291 -4.966 -3.938 83 H SER 13 H SER 13 10.280 -5.454 -4.012 84 HA SER 13 HA SER 13 10.295 -6.415 -6.773 85 HB2 SER 13 HB3 SER 13 10.118 -7.867 -4.673 86 HB3 SER 13 HB2 SER 13 8.448 -7.322 -4.559 87 HG SER 13 HG SER 13 8.844 -9.322 -5.769 88 H ILE 14 H ILE 14 8.298 -4.291 -4.881 89 HA ILE 14 HA ILE 14 5.999 -4.554 -6.730 90 HB ILE 14 HB ILE 14 5.031 -2.758 -5.267 91 HG12 ILE 14 HG13 ILE 14 7.399 -3.224 -3.471 92 HG13 ILE 14 HG12 ILE 14 7.430 -1.937 -4.672 93 HG21 ILE 14 HG21 ILE 14 6.132 -5.015 -3.593 94 HG22 ILE 14 HG22 ILE 14 4.933 -5.314 -4.846 95 HG23 ILE 14 HG23 ILE 14 4.546 -4.255 -3.492 96 HD11 ILE 14 HD11 ILE 14 5.115 -2.208 -2.760 97 HD12 ILE 14 HD12 ILE 14 5.629 -0.792 -3.676 98 HD13 ILE 14 HD13 ILE 14 6.580 -1.342 -2.298 99 H GLY 15 H GLY 15 8.902 -2.768 -6.574 100 HA2 GLY 15 HA3 GLY 15 9.655 -0.867 -7.739 101 HA3 GLY 15 HA2 GLY 15 8.498 -1.361 -8.975 102 H GLU 16 H GLU 16 8.579 1.217 -8.980 103 HA GLU 16 HA GLU 16 6.613 2.287 -7.007 104 HB2 GLU 16 HB3 GLU 16 8.510 3.697 -7.083 105 HB3 GLU 16 HB2 GLU 16 8.639 3.580 -8.836 106 HG2 GLU 16 HG3 GLU 16 6.115 4.732 -7.698 107 HG3 GLU 16 HG2 GLU 16 7.562 5.735 -7.650 108 H VAL 17 H VAL 17 4.547 2.078 -7.718 109 HA VAL 17 HA VAL 17 3.873 1.912 -10.543 110 HB VAL 17 HB VAL 17 1.480 2.173 -9.563 111 HG11 VAL 17 HG11 VAL 17 1.587 -0.163 -8.621 112 HG12 VAL 17 HG12 VAL 17 3.343 -0.078 -8.755 113 HG13 VAL 17 HG13 VAL 17 2.342 0.005 -10.205 114 HG21 VAL 17 HG21 VAL 17 1.235 2.002 -7.206 115 HG22 VAL 17 HG22 VAL 17 2.481 3.230 -7.436 116 HG23 VAL 17 HG23 VAL 17 2.935 1.589 -6.979 117 H THR 18 H THR 18 1.694 3.539 -10.922 118 HA THR 18 HA THR 18 2.909 6.102 -11.394 119 HB THR 18 HB THR 18 0.097 6.443 -11.405 120 HG1 THR 18 HG1 THR 18 0.333 4.247 -12.935 121 HG21 THR 18 HG21 THR 18 1.667 7.313 -13.081 122 HG22 THR 18 HG22 THR 18 0.399 6.367 -13.860 123 HG23 THR 18 HG23 THR 18 2.005 5.673 -13.633 124 H LYS 19 H LYS 19 3.036 7.860 -10.077 125 HA LYS 19 HA LYS 19 2.453 7.687 -7.294 126 HB2 LYS 19 HB3 LYS 19 2.337 10.441 -8.221 127 HB3 LYS 19 HB2 LYS 19 3.585 9.655 -7.255 128 HG2 LYS 19 HG3 LYS 19 4.239 8.583 -9.606 129 HG3 LYS 19 HG2 LYS 19 3.433 10.023 -10.223 130 HD2 LYS 19 HD3 LYS 19 5.595 10.835 -9.978 131 HD3 LYS 19 HD2 LYS 19 4.938 11.233 -8.391 132 HE2 LYS 19 HE3 LYS 19 5.783 8.905 -7.657 133 HE3 LYS 19 HE2 LYS 19 6.721 8.915 -9.149 134 HZ1 LYS 19 HZ1 LYS 19 7.255 11.343 -8.153 135 HZ2 LYS 19 HZ2 LYS 19 8.225 9.973 -7.898 136 HZ3 LYS 19 HZ3 LYS 19 7.092 10.445 -6.724 137 H GLU 20 H GLU 20 0.777 9.507 -9.851 138 HA GLU 20 HA GLU 20 -1.481 10.352 -8.521 139 HB2 GLU 20 HB3 GLU 20 -1.330 10.974 -10.770 140 HB3 GLU 20 HB2 GLU 20 -1.064 9.314 -11.297 141 HG2 GLU 20 HG3 GLU 20 -3.627 9.527 -9.945 142 HG3 GLU 20 HG2 GLU 20 -3.524 10.725 -11.231 143 H ASP 21 H ASP 21 -0.658 7.110 -9.632 144 HA ASP 21 HA ASP 21 -3.124 5.807 -9.228 145 HB2 ASP 21 HB3 ASP 21 -0.764 4.862 -9.958 146 HB3 ASP 21 HB2 ASP 21 -0.599 4.500 -8.244 147 H LEU 22 H LEU 22 -0.658 6.772 -6.889 148 HA LEU 22 HA LEU 22 -2.095 5.681 -4.608 149 HB2 LEU 22 HB3 LEU 22 0.212 7.612 -4.891 150 HB3 LEU 22 HB2 LEU 22 -0.495 7.234 -3.321 151 HG LEU 22 HG LEU 22 -0.047 4.832 -3.702 152 HD11 LEU 22 HD11 LEU 22 0.876 5.905 -6.351 153 HD12 LEU 22 HD12 LEU 22 -0.067 4.457 -5.997 154 HD13 LEU 22 HD13 LEU 22 1.666 4.477 -5.684 155 HD21 LEU 22 HD21 LEU 22 1.642 6.306 -2.591 156 HD22 LEU 22 HD22 LEU 22 2.411 6.555 -4.159 157 HD23 LEU 22 HD23 LEU 22 2.379 4.946 -3.439 158 H LEU 23 H LEU 23 -2.202 8.526 -6.499 159 HA LEU 23 HA LEU 23 -3.574 10.162 -4.502 160 HB2 LEU 23 HB3 LEU 23 -3.334 10.538 -7.509 161 HB3 LEU 23 HB2 LEU 23 -3.724 11.783 -6.341 162 HG LEU 23 HG LEU 23 -1.091 10.296 -6.625 163 HD11 LEU 23 HD11 LEU 23 -1.357 13.280 -6.457 164 HD12 LEU 23 HD12 LEU 23 -1.885 12.506 -7.951 165 HD13 LEU 23 HD13 LEU 23 -0.225 12.303 -7.391 166 HD21 LEU 23 HD21 LEU 23 -2.183 11.987 -4.367 167 HD22 LEU 23 HD22 LEU 23 -0.450 11.918 -4.683 168 HD23 LEU 23 HD23 LEU 23 -1.331 10.445 -4.281 169 H LEU 24 H LEU 24 -4.618 8.618 -7.610 170 HA LEU 24 HA LEU 24 -7.389 9.138 -7.107 171 HB2 LEU 24 HB3 LEU 24 -7.890 7.396 -8.738 172 HB3 LEU 24 HB2 LEU 24 -6.591 8.428 -9.343 173 HG LEU 24 HG LEU 24 -5.138 6.501 -8.066 174 HD11 LEU 24 HD11 LEU 24 -6.102 4.328 -8.478 175 HD12 LEU 24 HD12 LEU 24 -7.469 5.035 -9.336 176 HD13 LEU 24 HD13 LEU 24 -7.312 5.257 -7.596 177 HD21 LEU 24 HD21 LEU 24 -6.202 6.660 -10.892 178 HD22 LEU 24 HD22 LEU 24 -5.023 5.438 -10.418 179 HD23 LEU 24 HD23 LEU 24 -4.617 7.151 -10.295 180 H LYS 25 H LYS 25 -5.276 6.357 -6.310 181 HA LYS 25 HA LYS 25 -7.197 4.666 -5.159 182 HB2 LYS 25 HB3 LYS 25 -4.338 5.290 -4.405 183 HB3 LYS 25 HB2 LYS 25 -5.287 4.145 -3.460 184 HG2 LYS 25 HG3 LYS 25 -5.571 2.682 -5.314 185 HG3 LYS 25 HG2 LYS 25 -5.050 3.911 -6.463 186 HD2 LYS 25 HD3 LYS 25 -2.776 3.762 -5.734 187 HD3 LYS 25 HD2 LYS 25 -3.221 2.823 -4.313 188 HE2 LYS 25 HE3 LYS 25 -2.255 1.628 -6.478 189 HE3 LYS 25 HE2 LYS 25 -3.535 0.872 -5.531 190 HZ1 LYS 25 HZ1 LYS 25 -3.708 2.249 -8.119 191 HZ2 LYS 25 HZ2 LYS 25 -5.063 2.237 -7.095 192 HZ3 LYS 25 HZ3 LYS 25 -4.392 0.774 -7.638 193 H SER 26 H SER 26 -5.569 7.489 -3.786 194 HA SER 26 HA SER 26 -6.954 7.444 -1.251 195 HB2 SER 26 HB3 SER 26 -4.755 8.714 -2.017 196 HB3 SER 26 HB2 SER 26 -5.882 9.960 -2.513 197 HG SER 26 HG SER 26 -4.971 9.499 -0.099 198 H LYS 27 H LYS 27 -8.328 7.595 -4.134 199 HA LYS 27 HA LYS 27 -9.718 9.970 -4.446 200 HB2 LYS 27 HB3 LYS 27 -11.686 8.427 -5.238 201 HB3 LYS 27 HB2 LYS 27 -10.174 8.454 -6.140 202 HG2 LYS 27 HG3 LYS 27 -9.634 6.311 -5.572 203 HG3 LYS 27 HG2 LYS 27 -10.273 6.474 -3.930 204 HD2 LYS 27 HD3 LYS 27 -11.647 4.890 -5.165 205 HD3 LYS 27 HD2 LYS 27 -12.589 6.359 -4.900 206 HE2 LYS 27 HE3 LYS 27 -12.013 7.149 -7.160 207 HE3 LYS 27 HE2 LYS 27 -11.044 5.701 -7.427 208 HZ1 LYS 27 HZ1 LYS 27 -13.276 5.518 -8.379 209 HZ2 LYS 27 HZ2 LYS 27 -13.955 5.717 -6.834 210 HZ3 LYS 27 HZ3 LYS 27 -13.006 4.350 -7.180 211 H GLY 28 H GLY 28 -10.798 7.249 -2.304 212 HA2 GLY 28 HA3 GLY 28 -11.565 8.451 -0.095 213 HA3 GLY 28 HA2 GLY 28 -12.767 9.163 -1.157 214 H THR 29 H THR 29 -12.038 6.000 -2.160 215 HA THR 29 HA THR 29 -13.871 4.711 -0.282 216 HB THR 29 HB THR 29 -15.140 4.206 -2.727 217 HG1 THR 29 HG1 THR 29 -14.311 6.866 -2.422 218 HG21 THR 29 HG21 THR 29 -16.132 4.443 -0.419 219 HG22 THR 29 HG22 THR 29 -17.046 5.255 -1.689 220 HG23 THR 29 HG23 THR 29 -16.005 6.191 -0.617 221 H CYS 30 H CYS 30 -13.898 2.459 -0.480 222 HA CYS 30 HA CYS 30 -11.618 1.178 -1.689 223 HB2 CYS 30 HB3 CYS 30 -12.775 0.195 0.267 224 HB3 CYS 30 HB2 CYS 30 -14.237 -0.011 -0.693 225 H GLN 31 H GLN 31 -11.447 0.311 -3.779 226 HA GLN 31 HA GLN 31 -13.591 0.968 -5.646 227 HB2 GLN 31 HB3 GLN 31 -12.157 -0.038 -7.351 228 HB3 GLN 31 HB2 GLN 31 -11.228 1.068 -6.348 229 HG2 GLN 31 HG3 GLN 31 -9.837 -0.825 -6.491 230 HG3 GLN 31 HG2 GLN 31 -10.645 -1.041 -4.943 231 HE21 GLN 31 HE21 GLN 31 -10.107 -3.428 -5.390 232 HE22 GLN 31 HE22 GLN 31 -11.198 -4.317 -6.338 233 H SER 32 H SER 32 -13.116 -1.553 -3.518 234 HA SER 32 HA SER 32 -14.724 -3.433 -5.206 235 HB2 SER 32 HB3 SER 32 -12.485 -4.260 -4.453 236 HB3 SER 32 HB2 SER 32 -13.011 -4.057 -2.786 237 HG SER 32 HG SER 32 -14.915 -5.400 -3.729 238 H CYS 33 H CYS 33 -14.670 -1.504 -2.334 239 HA CYS 33 HA CYS 33 -17.295 -2.703 -1.520 240 HB2 CYS 33 HB3 CYS 33 -15.194 -1.544 0.330 241 HB3 CYS 33 HB2 CYS 33 -16.715 -2.276 0.811 242 H GLY 34 H GLY 34 -15.451 0.184 -2.203 243 HA2 GLY 34 HA3 GLY 34 -16.111 2.445 -2.181 244 HA3 GLY 34 HA2 GLY 34 -17.740 1.831 -2.476 245 H VAL 35 H VAL 35 -15.391 2.068 0.193 246 HA VAL 35 HA VAL 35 -17.660 2.345 2.095 247 HB VAL 35 HB VAL 35 -16.060 1.697 3.816 248 HG11 VAL 35 HG11 VAL 35 -15.179 -0.475 2.444 249 HG12 VAL 35 HG12 VAL 35 -16.410 0.101 1.324 250 HG13 VAL 35 HG13 VAL 35 -16.848 -0.293 2.982 251 HG21 VAL 35 HG21 VAL 35 -13.716 1.052 2.983 252 HG22 VAL 35 HG22 VAL 35 -14.047 2.773 3.135 253 HG23 VAL 35 HG23 VAL 35 -14.080 2.005 1.547 254 H THR 36 H THR 36 -14.460 3.904 1.439 255 HA THR 36 HA THR 36 -15.278 6.546 1.647 256 HB THR 36 HB THR 36 -14.289 6.625 4.260 257 HG1 THR 36 HG1 THR 36 -14.645 4.348 4.337 258 HG21 THR 36 HG21 THR 36 -16.861 6.906 4.776 259 HG22 THR 36 HG22 THR 36 -17.013 6.866 3.020 260 HG23 THR 36 HG23 THR 36 -16.019 8.100 3.791 261 H GLY 37 H GLY 37 -13.325 7.914 2.802 262 HA2 GLY 37 HA3 GLY 37 -10.895 6.894 1.473 263 HA3 GLY 37 HA2 GLY 37 -11.135 8.524 2.063 264 HA PRO 38 HA PRO 38 -9.091 8.066 5.872 265 HB2 PRO 38 HB3 PRO 38 -11.319 7.659 7.666 266 HB3 PRO 38 HB2 PRO 38 -10.316 9.101 7.459 267 HG2 PRO 38 HG3 PRO 38 -12.976 8.534 6.406 268 HG3 PRO 38 HG2 PRO 38 -12.118 10.077 6.515 269 HD2 PRO 38 HD3 PRO 38 -12.607 8.774 4.141 270 HD3 PRO 38 HD2 PRO 38 -11.250 9.894 4.383 271 H ASN 39 H ASN 39 -8.060 6.343 6.656 272 HA ASN 39 HA ASN 39 -7.585 4.178 7.357 273 HB2 ASN 39 HB3 ASN 39 -10.463 4.458 8.008 274 HB3 ASN 39 HB2 ASN 39 -9.900 2.800 7.822 275 HD21 ASN 39 HD21 ASN 39 -7.391 2.769 8.893 276 HD22 ASN 39 HD22 ASN 39 -7.398 3.301 10.504 277 H LEU 40 H LEU 40 -7.973 4.847 4.524 278 HA LEU 40 HA LEU 40 -9.202 2.412 3.394 279 HB2 LEU 40 HB3 LEU 40 -8.082 4.953 2.288 280 HB3 LEU 40 HB2 LEU 40 -7.983 3.537 1.257 281 HG LEU 40 HG LEU 40 -10.476 4.840 2.383 282 HD11 LEU 40 HD11 LEU 40 -11.026 5.147 0.049 283 HD12 LEU 40 HD12 LEU 40 -9.693 4.115 -0.451 284 HD13 LEU 40 HD13 LEU 40 -9.361 5.689 0.266 285 HD21 LEU 40 HD21 LEU 40 -11.500 2.891 0.853 286 HD22 LEU 40 HD22 LEU 40 -11.172 2.624 2.562 287 HD23 LEU 40 HD23 LEU 40 -10.026 2.058 1.343 288 H TRP 41 H TRP 41 -7.702 1.363 1.598 289 HA TRP 41 HA TRP 41 -4.864 1.330 2.212 290 HB2 TRP 41 HB3 TRP 41 -6.546 -0.412 3.715 291 HB3 TRP 41 HB2 TRP 41 -5.665 -1.410 2.565 292 HD1 TRP 41 HD TRP 41 -2.912 -0.127 2.407 293 HE1 TRP 41 HE1 TRP 41 -1.333 -0.013 4.442 294 HE3 TRP 41 HE3 TRP 41 -6.302 -0.642 6.191 295 HZ2 TRP 41 HZ2 TRP 41 -1.488 -0.124 7.296 296 HZ3 TRP 41 HZ3 TRP 41 -5.562 -0.635 8.554 297 HH2 TRP 41 HH2 TRP 41 -3.160 -0.377 9.112 298 H ALA 42 H ALA 42 -4.555 1.648 0.008 299 HA ALA 42 HA ALA 42 -5.799 -0.242 -1.882 300 HB1 ALA 42 HB1 ALA 42 -4.014 2.168 -2.306 301 HB2 ALA 42 HB2 ALA 42 -5.767 2.122 -2.491 302 HB3 ALA 42 HB3 ALA 42 -4.740 1.218 -3.602 303 H CYS 43 H CYS 43 -4.666 -1.718 -3.103 304 HA CYS 43 HA CYS 43 -2.281 -2.861 -2.032 305 HB2 CYS 43 HB3 CYS 43 -4.031 -3.941 -3.573 306 HB3 CYS 43 HB2 CYS 43 -3.186 -3.142 -4.901 307 H LEU 44 H LEU 44 -0.108 -2.803 -2.914 308 HA LEU 44 HA LEU 44 0.412 -0.530 -4.780 309 HB2 LEU 44 HB3 LEU 44 0.786 -0.007 -2.282 310 HB3 LEU 44 HB2 LEU 44 2.165 -1.096 -2.394 311 HG LEU 44 HG LEU 44 2.811 0.344 -4.488 312 HD11 LEU 44 HD11 LEU 44 1.778 2.349 -4.814 313 HD12 LEU 44 HD12 LEU 44 1.563 2.638 -3.088 314 HD13 LEU 44 HD13 LEU 44 0.438 1.594 -3.954 315 HD21 LEU 44 HD21 LEU 44 3.015 1.510 -1.692 316 HD22 LEU 44 HD22 LEU 44 4.087 1.864 -3.046 317 HD23 LEU 44 HD23 LEU 44 4.065 0.250 -2.339 318 H GLN 45 H GLN 45 0.395 -3.270 -5.591 319 HA GLN 45 HA GLN 45 3.255 -4.039 -5.615 320 HB2 GLN 45 HB3 GLN 45 1.113 -5.502 -7.132 321 HB3 GLN 45 HB2 GLN 45 2.623 -6.123 -6.462 322 HG2 GLN 45 HG3 GLN 45 0.975 -4.999 -4.347 323 HG3 GLN 45 HG2 GLN 45 0.075 -6.212 -5.256 324 HE21 GLN 45 HE21 GLN 45 2.105 -8.028 -5.954 325 HE22 GLN 45 HE22 GLN 45 2.784 -8.694 -4.547 326 H VAL 46 H VAL 46 4.484 -4.136 -7.487 327 HA VAL 46 HA VAL 46 4.478 -2.111 -9.317 328 HB VAL 46 HB VAL 46 6.209 -3.941 -9.083 329 HG11 VAL 46 HG11 VAL 46 5.965 -5.978 -10.275 330 HG12 VAL 46 HG12 VAL 46 4.562 -5.384 -11.162 331 HG13 VAL 46 HG13 VAL 46 4.424 -5.759 -9.444 332 HG21 VAL 46 HG21 VAL 46 6.188 -2.195 -10.909 333 HG22 VAL 46 HG22 VAL 46 5.360 -3.365 -11.936 334 HG23 VAL 46 HG23 VAL 46 6.993 -3.698 -11.359 335 H ALA 47 H ALA 47 2.166 -4.736 -9.354 336 HA ALA 47 HA ALA 47 0.982 -3.506 -11.789 337 HB1 ALA 47 HB1 ALA 47 2.478 -5.403 -12.495 338 HB2 ALA 47 HB2 ALA 47 0.787 -5.607 -12.954 339 HB3 ALA 47 HB3 ALA 47 1.438 -6.490 -11.573 340 H CYS 48 H CYS 48 -0.145 -3.160 -9.316 341 HA CYS 48 HA CYS 48 -2.622 -4.773 -9.605 342 HB2 CYS 48 HB3 CYS 48 -1.046 -5.760 -7.822 343 HB3 CYS 48 HB2 CYS 48 -1.425 -4.323 -6.875 344 HA PRO 49 HA PRO 49 -3.504 -0.351 -8.702 345 HB2 PRO 49 HB3 PRO 49 -4.947 0.223 -10.910 346 HB3 PRO 49 HB2 PRO 49 -3.173 0.182 -10.942 347 HG2 PRO 49 HG3 PRO 49 -5.129 -1.810 -11.954 348 HG3 PRO 49 HG2 PRO 49 -3.541 -1.358 -12.594 349 HD2 PRO 49 HD3 PRO 49 -4.094 -3.626 -11.003 350 HD3 PRO 49 HD2 PRO 49 -2.481 -2.970 -11.358 351 H TYR 50 H TYR 50 -4.949 -0.767 -6.997 352 HA TYR 50 HA TYR 50 -7.776 -0.631 -7.557 353 HB2 TYR 50 HB3 TYR 50 -6.605 -3.271 -6.630 354 HB3 TYR 50 HB2 TYR 50 -8.287 -2.834 -6.338 355 HD1 TYR 50 HD1 TYR 50 -6.051 -4.369 -8.618 356 HD2 TYR 50 HD2 TYR 50 -9.620 -1.982 -8.462 357 HE1 TYR 50 HE1 TYR 50 -6.640 -5.096 -10.914 358 HE2 TYR 50 HE2 TYR 50 -10.206 -2.710 -10.758 359 HH TYR 50 HH TYR 50 -8.118 -4.017 -12.860 360 H VAL 51 H VAL 51 -8.705 0.331 -5.730 361 HA VAL 51 HA VAL 51 -6.953 0.473 -3.338 362 HB VAL 51 HB VAL 51 -7.465 2.651 -4.047 363 HG11 VAL 51 HG11 VAL 51 -9.761 3.384 -4.603 364 HG12 VAL 51 HG12 VAL 51 -10.351 1.752 -4.296 365 HG13 VAL 51 HG13 VAL 51 -9.246 2.053 -5.637 366 HG21 VAL 51 HG21 VAL 51 -8.395 3.550 -2.143 367 HG22 VAL 51 HG22 VAL 51 -8.113 1.909 -1.566 368 HG23 VAL 51 HG23 VAL 51 -9.722 2.390 -2.105 369 H GLY 52 H GLY 52 -7.394 -1.093 -1.918 370 HA2 GLY 52 HA3 GLY 52 -10.126 -2.133 -1.627 371 HA3 GLY 52 HA2 GLY 52 -8.692 -2.757 -0.827 372 H CYS 53 H CYS 53 -10.448 -2.675 0.983 373 HA CYS 53 HA CYS 53 -10.690 0.022 2.211 374 HB2 CYS 53 HB3 CYS 53 -11.872 -1.678 3.987 375 HB3 CYS 53 HB2 CYS 53 -12.752 -0.924 2.684 376 H GLY 54 H GLY 54 -10.537 -0.035 4.591 377 HA2 GLY 54 HA3 GLY 54 -8.232 -1.674 5.561 378 HA3 GLY 54 HA2 GLY 54 -8.502 0.008 6.074 379 H GLU 55 H GLU 55 -8.631 -2.212 7.951 380 HA GLU 55 HA GLU 55 -10.867 -3.501 8.617 381 HB2 GLU 55 HB3 GLU 55 -10.669 -2.881 10.921 382 HB3 GLU 55 HB2 GLU 55 -9.042 -2.867 10.248 383 HG2 GLU 55 HG3 GLU 55 -9.418 -0.366 9.811 384 HG3 GLU 55 HG2 GLU 55 -10.812 -0.509 10.883 385 H SER 56 H SER 56 -10.706 -0.016 8.434 386 HA SER 56 HA SER 56 -13.003 1.025 9.379 387 HB2 SER 56 HB3 SER 56 -11.457 1.455 6.945 388 HB3 SER 56 HB2 SER 56 -13.151 1.835 6.700 389 HG SER 56 HG SER 56 -12.370 3.658 7.560 390 H PHE 57 H PHE 57 -12.834 -1.131 6.553 391 HA PHE 57 HA PHE 57 -15.797 -1.540 6.809 392 HB2 PHE 57 HB3 PHE 57 -15.233 -0.485 4.687 393 HB3 PHE 57 HB2 PHE 57 -14.081 -1.749 4.334 394 HD1 PHE 57 HD1 PHE 57 -14.804 -3.528 2.998 395 HD2 PHE 57 HD2 PHE 57 -17.663 -1.394 5.391 396 HE1 PHE 57 HE1 PHE 57 -16.628 -4.926 2.065 397 HE2 PHE 57 HE2 PHE 57 -19.486 -2.791 4.457 398 HZ PHE 57 HZ PHE 57 -18.968 -4.557 2.794 399 H ALA 58 H ALA 58 -13.732 -3.369 4.740 400 HA ALA 58 HA ALA 58 -13.981 -5.740 6.565 401 HB1 ALA 58 HB1 ALA 58 -13.886 -5.823 3.536 402 HB2 ALA 58 HB2 ALA 58 -15.395 -5.813 4.449 403 HB3 ALA 58 HB3 ALA 58 -14.262 -7.151 4.635 404 H ASP 59 H ASP 59 -11.915 -3.542 5.292 405 HA ASP 59 HA ASP 59 -9.609 -3.467 4.975 406 HB2 ASP 59 HB3 ASP 59 -9.500 -4.200 7.264 407 HB3 ASP 59 HB2 ASP 59 -9.818 -5.863 6.813 408 H HIS 60 H HIS 60 -10.439 -4.271 2.652 409 HA HIS 60 HA HIS 60 -10.043 -6.916 1.767 410 HB2 HIS 60 HB3 HIS 60 -9.938 -4.256 0.519 411 HB3 HIS 60 HB2 HIS 60 -8.883 -5.409 -0.269 412 HD2 HIS 60 HD2 HIS 60 -10.431 -7.981 -0.799 413 HE1 HIS 60 HE1 HIS 60 -13.952 -5.787 -1.553 414 HE2 HIS 60 HE2 HIS 60 -12.827 -8.040 -1.813 415 H SER 61 H SER 61 -7.858 -4.525 2.899 416 HA SER 61 HA SER 61 -5.361 -5.181 1.906 417 HB2 SER 61 HB3 SER 61 -6.182 -3.601 3.885 418 HB3 SER 61 HB2 SER 61 -5.631 -4.940 4.880 419 HG SER 61 HG SER 61 -4.037 -3.921 2.790 420 H THR 62 H THR 62 -7.321 -7.104 4.127 421 HA THR 62 HA THR 62 -5.107 -8.985 4.572 422 HB THR 62 HB THR 62 -7.098 -10.247 5.723 423 HG1 THR 62 HG1 THR 62 -8.675 -8.747 6.409 424 HG21 THR 62 HG21 THR 62 -5.347 -9.423 7.079 425 HG22 THR 62 HG22 THR 62 -6.792 -8.648 7.729 426 HG23 THR 62 HG23 THR 62 -5.707 -7.746 6.670 427 H ILE 63 H ILE 63 -8.504 -9.465 3.523 428 HA ILE 63 HA ILE 63 -8.017 -11.994 2.409 429 HB ILE 63 HB ILE 63 -10.063 -11.519 0.973 430 HG12 ILE 63 HG13 ILE 63 -10.198 -9.031 2.680 431 HG13 ILE 63 HG12 ILE 63 -9.552 -9.029 1.039 432 HG21 ILE 63 HG21 ILE 63 -10.220 -12.629 3.160 433 HG22 ILE 63 HG22 ILE 63 -11.567 -11.510 2.957 434 HG23 ILE 63 HG23 ILE 63 -10.197 -11.064 3.974 435 HD11 ILE 63 HD11 ILE 63 -11.639 -9.741 0.112 436 HD12 ILE 63 HD12 ILE 63 -12.033 -8.452 1.249 437 HD13 ILE 63 HD13 ILE 63 -12.285 -10.137 1.703 438 H HIS 64 H HIS 64 -7.588 -8.806 1.077 439 HA HIS 64 HA HIS 64 -7.137 -9.646 -1.655 440 HB2 HIS 64 HB3 HIS 64 -7.734 -7.304 -1.081 441 HB3 HIS 64 HB2 HIS 64 -6.182 -7.129 -0.257 442 HD1 HIS 64 HD1 HIS 64 -7.732 -6.931 -3.578 443 HD2 HIS 64 HD2 HIS 64 -3.884 -7.466 -2.065 444 HE1 HIS 64 HE1 HIS 64 -6.139 -6.514 -5.505 445 H ALA 65 H ALA 65 -5.001 -8.961 1.125 446 HA ALA 65 HA ALA 65 -2.583 -9.571 -0.427 447 HB1 ALA 65 HB1 ALA 65 -2.350 -8.083 1.483 448 HB2 ALA 65 HB2 ALA 65 -1.504 -9.583 1.868 449 HB3 ALA 65 HB3 ALA 65 -3.099 -9.268 2.552 450 H GLN 66 H GLN 66 -5.015 -11.175 1.236 451 HA GLN 66 HA GLN 66 -3.623 -13.668 1.833 452 HB2 GLN 66 HB3 GLN 66 -5.406 -12.914 3.257 453 HB3 GLN 66 HB2 GLN 66 -6.446 -12.659 1.884 454 HG2 GLN 66 HG3 GLN 66 -7.334 -14.642 2.507 455 HG3 GLN 66 HG2 GLN 66 -5.998 -15.299 1.563 456 HE21 GLN 66 HE21 GLN 66 -3.798 -15.024 3.198 457 HE22 GLN 66 HE22 GLN 66 -4.027 -15.842 4.667 458 H ALA 67 H ALA 67 -5.821 -12.425 -0.657 459 HA ALA 67 HA ALA 67 -6.049 -15.066 -1.929 460 HB1 ALA 67 HB1 ALA 67 -8.073 -13.971 -2.154 461 HB2 ALA 67 HB2 ALA 67 -7.309 -13.493 -3.669 462 HB3 ALA 67 HB3 ALA 67 -7.319 -12.385 -2.297 463 H LYS 68 H LYS 68 -4.673 -11.880 -2.670 464 HA LYS 68 HA LYS 68 -3.372 -13.014 -5.090 465 HB2 LYS 68 HB3 LYS 68 -3.411 -10.164 -4.060 466 HB3 LYS 68 HB2 LYS 68 -2.858 -10.705 -5.642 467 HG2 LYS 68 HG3 LYS 68 -5.006 -10.166 -6.258 468 HG3 LYS 68 HG2 LYS 68 -5.333 -11.793 -5.660 469 HD2 LYS 68 HD3 LYS 68 -5.999 -10.927 -3.497 470 HD3 LYS 68 HD2 LYS 68 -5.524 -9.297 -3.959 471 HE2 LYS 68 HE3 LYS 68 -7.963 -9.587 -4.167 472 HE3 LYS 68 HE2 LYS 68 -7.226 -9.301 -5.744 473 HZ1 LYS 68 HZ1 LYS 68 -8.648 -11.584 -4.806 474 HZ2 LYS 68 HZ2 LYS 68 -7.113 -12.015 -5.393 475 HZ3 LYS 68 HZ3 LYS 68 -8.201 -11.172 -6.389 476 H LYS 69 H LYS 69 -2.713 -12.932 -1.920 477 HA LYS 69 HA LYS 69 -0.761 -13.073 -0.655 478 HB2 LYS 69 HB3 LYS 69 -0.006 -14.051 -3.372 479 HB3 LYS 69 HB2 LYS 69 1.308 -13.712 -2.247 480 HG2 LYS 69 HG3 LYS 69 0.421 -16.092 -2.184 481 HG3 LYS 69 HG2 LYS 69 0.443 -15.259 -0.631 482 HD2 LYS 69 HD3 LYS 69 -1.868 -15.064 -0.543 483 HD3 LYS 69 HD2 LYS 69 -2.042 -15.059 -2.297 484 HE2 LYS 69 HE3 LYS 69 -2.780 -17.182 -0.974 485 HE3 LYS 69 HE2 LYS 69 -1.841 -17.392 -2.451 486 HZ1 LYS 69 HZ1 LYS 69 -0.159 -18.260 -1.317 487 HZ2 LYS 69 HZ2 LYS 69 -1.204 -18.363 0.019 488 HZ3 LYS 69 HZ3 LYS 69 -0.179 -17.020 -0.161 489 H HIS 70 H HIS 70 -1.456 -10.502 -2.307 490 HA HIS 70 HA HIS 70 1.158 -9.215 -2.655 491 HB2 HIS 70 HB3 HIS 70 -1.667 -8.094 -2.532 492 HB3 HIS 70 HB2 HIS 70 -0.238 -7.135 -2.897 493 HD2 HIS 70 HD2 HIS 70 0.914 -9.936 -4.763 494 HE1 HIS 70 HE1 HIS 70 -2.131 -8.536 -7.326 495 HE2 HIS 70 HE2 HIS 70 -0.081 -10.017 -7.168 496 H ASN 71 H ASN 71 2.381 -8.599 -0.896 497 HA ASN 71 HA ASN 71 1.049 -8.430 1.732 498 HB2 ASN 71 HB3 ASN 71 3.590 -8.004 2.356 499 HB3 ASN 71 HB2 ASN 71 2.987 -9.618 1.998 500 HD21 ASN 71 HD21 ASN 71 5.208 -7.169 0.965 501 HD22 ASN 71 HD22 ASN 71 5.731 -7.940 -0.452 502 H LEU 72 H LEU 72 2.988 -6.306 -0.373 503 HA LEU 72 HA LEU 72 2.789 -4.111 1.531 504 HB2 LEU 72 HB3 LEU 72 3.802 -4.267 -1.304 505 HB3 LEU 72 HB2 LEU 72 3.876 -2.806 -0.319 506 HG LEU 72 HG LEU 72 5.001 -5.452 0.613 507 HD11 LEU 72 HD11 LEU 72 6.259 -5.000 -1.341 508 HD12 LEU 72 HD12 LEU 72 7.233 -4.327 -0.035 509 HD13 LEU 72 HD13 LEU 72 6.252 -3.264 -1.044 510 HD21 LEU 72 HD21 LEU 72 4.800 -4.008 2.468 511 HD22 LEU 72 HD22 LEU 72 5.159 -2.572 1.511 512 HD23 LEU 72 HD23 LEU 72 6.446 -3.699 1.926 513 H THR 73 H THR 73 1.401 -2.516 1.608 514 HA THR 73 HA THR 73 -0.264 -1.738 -0.691 515 HB THR 73 HB THR 73 -1.679 -3.455 0.347 516 HG1 THR 73 HG1 THR 73 -2.316 -0.755 0.777 517 HG21 THR 73 HG21 THR 73 -2.292 -3.329 2.709 518 HG22 THR 73 HG22 THR 73 -1.304 -1.883 2.908 519 HG23 THR 73 HG23 THR 73 -0.540 -3.431 2.553 520 H VAL 74 H VAL 74 -1.312 0.446 -0.137 521 HA VAL 74 HA VAL 74 0.212 1.736 2.100 522 HB VAL 74 HB VAL 74 1.185 2.581 0.133 523 HG11 VAL 74 HG11 VAL 74 -0.193 3.409 -1.772 524 HG12 VAL 74 HG12 VAL 74 -1.648 2.893 -0.922 525 HG13 VAL 74 HG13 VAL 74 -0.469 1.697 -1.456 526 HG21 VAL 74 HG21 VAL 74 -1.001 4.612 0.629 527 HG22 VAL 74 HG22 VAL 74 0.691 4.902 0.225 528 HG23 VAL 74 HG23 VAL 74 0.256 4.301 1.824 529 H ASN 75 H ASN 75 -0.941 2.708 3.610 530 HA ASN 75 HA ASN 75 -3.853 2.894 3.365 531 HB2 ASN 75 HB3 ASN 75 -2.500 2.296 5.493 532 HB3 ASN 75 HB2 ASN 75 -2.196 4.028 5.619 533 HD21 ASN 75 HD21 ASN 75 -3.834 2.423 7.487 534 HD22 ASN 75 HD22 ASN 75 -5.403 3.069 7.426 535 H LEU 76 H LEU 76 -4.463 4.520 1.991 536 HA LEU 76 HA LEU 76 -3.028 7.021 1.758 537 HB2 LEU 76 HB3 LEU 76 -5.905 6.528 0.972 538 HB3 LEU 76 HB2 LEU 76 -4.765 7.664 0.257 539 HG LEU 76 HG LEU 76 -3.636 4.999 0.200 540 HD11 LEU 76 HD11 LEU 76 -6.240 5.243 -1.304 541 HD12 LEU 76 HD12 LEU 76 -6.087 4.383 0.227 542 HD13 LEU 76 HD13 LEU 76 -5.191 3.834 -1.184 543 HD21 LEU 76 HD21 LEU 76 -4.585 6.489 -2.222 544 HD22 LEU 76 HD22 LEU 76 -3.125 5.533 -2.009 545 HD23 LEU 76 HD23 LEU 76 -3.245 7.128 -1.272 546 H THR 77 H THR 77 -4.301 6.005 4.403 547 HA THR 77 HA THR 77 -5.948 8.380 5.093 548 HB THR 77 HB THR 77 -5.225 5.939 6.741 549 HG1 THR 77 HG1 THR 77 -6.674 5.951 4.694 550 HG21 THR 77 HG21 THR 77 -7.202 8.196 7.143 551 HG22 THR 77 HG22 THR 77 -5.814 7.803 8.156 552 HG23 THR 77 HG23 THR 77 -7.198 6.713 8.100 553 H THR 78 H THR 78 -2.958 6.708 5.927 554 HA THR 78 HA THR 78 -2.082 9.139 7.437 555 HB THR 78 HB THR 78 -0.995 6.347 7.806 556 HG1 THR 78 HG1 THR 78 -2.375 6.540 9.770 557 HG21 THR 78 HG21 THR 78 -0.906 8.888 9.455 558 HG22 THR 78 HG22 THR 78 0.449 8.115 8.629 559 HG23 THR 78 HG23 THR 78 -0.310 7.323 10.010 560 H PHE 79 H PHE 79 -1.420 7.119 4.745 561 HA PHE 79 HA PHE 79 0.181 7.462 3.050 562 HB2 PHE 79 HB3 PHE 79 0.184 9.890 4.178 563 HB3 PHE 79 HB2 PHE 79 1.787 9.373 4.699 564 HD1 PHE 79 HD1 PHE 79 3.605 9.576 3.231 565 HD2 PHE 79 HD2 PHE 79 -0.390 9.518 1.649 566 HE1 PHE 79 HE1 PHE 79 4.493 10.059 0.967 567 HE2 PHE 79 HE2 PHE 79 0.501 10.000 -0.615 568 HZ PHE 79 HZ PHE 79 2.943 10.270 -0.956 569 H ARG 80 H ARG 80 0.451 5.278 4.526 570 HA ARG 80 HA ARG 80 3.388 4.973 4.760 571 HB2 ARG 80 HB3 ARG 80 2.489 3.340 6.805 572 HB3 ARG 80 HB2 ARG 80 3.267 4.903 7.032 573 HG2 ARG 80 HG3 ARG 80 1.226 6.009 7.386 574 HG3 ARG 80 HG2 ARG 80 0.290 4.756 6.567 575 HD2 ARG 80 HD3 ARG 80 0.830 3.181 8.403 576 HD3 ARG 80 HD2 ARG 80 1.695 4.465 9.238 577 HE ARG 80 HE ARG 80 -0.401 5.477 9.779 578 HH11 ARG 80 HH11 ARG 80 -2.634 5.281 10.063 579 HH12 ARG 80 HH12 ARG 80 -3.495 4.033 9.225 580 HH21 ARG 80 HH21 ARG 80 -0.679 2.778 7.644 581 HH22 ARG 80 HH22 ARG 80 -2.389 2.619 7.857 582 H LEU 81 H LEU 81 3.663 2.385 5.168 583 HA LEU 81 HA LEU 81 1.778 1.105 3.235 584 HB2 LEU 81 HB3 LEU 81 4.722 1.039 3.496 585 HB3 LEU 81 HB2 LEU 81 3.957 -0.467 3.026 586 HG LEU 81 HG LEU 81 3.092 2.026 1.639 587 HD11 LEU 81 HD11 LEU 81 5.779 0.700 1.227 588 HD12 LEU 81 HD12 LEU 81 5.461 2.394 1.598 589 HD13 LEU 81 HD13 LEU 81 5.022 1.739 0.020 590 HD21 LEU 81 HD21 LEU 81 2.817 -0.796 1.269 591 HD22 LEU 81 HD22 LEU 81 3.770 -0.189 -0.081 592 HD23 LEU 81 HD23 LEU 81 2.181 0.493 0.251 593 H TRP 82 H TRP 82 1.994 -1.385 3.461 594 HA TRP 82 HA TRP 82 2.307 -2.313 6.230 595 HB2 TRP 82 HB3 TRP 82 -0.065 -1.365 5.957 596 HB3 TRP 82 HB2 TRP 82 -0.348 -2.693 4.838 597 HD1 TRP 82 HD TRP 82 1.401 -2.564 8.299 598 HE1 TRP 82 HE1 TRP 82 0.399 -4.432 9.764 599 HE3 TRP 82 HE3 TRP 82 -2.073 -4.453 5.067 600 HZ2 TRP 82 HZ2 TRP 82 -1.614 -6.457 9.592 601 HZ3 TRP 82 HZ3 TRP 82 -3.519 -6.347 5.743 602 HH2 TRP 82 HH2 TRP 82 -3.295 -7.351 8.000 603 H CYS 83 H CYS 83 3.586 -4.049 5.807 604 HA CYS 83 HA CYS 83 3.187 -5.566 3.307 605 HB2 CYS 83 HB3 CYS 83 5.445 -4.788 4.582 606 HB3 CYS 83 HB2 CYS 83 5.243 -6.392 5.275 607 H TYR 84 H TYR 84 1.582 -7.143 3.490 608 HA TYR 84 HA TYR 84 1.022 -8.421 6.043 609 HB2 TYR 84 HB3 TYR 84 -0.531 -8.222 3.915 610 HB3 TYR 84 HB2 TYR 84 0.319 -9.675 3.384 611 HD1 TYR 84 HD1 TYR 84 -0.634 -11.721 3.958 612 HD2 TYR 84 HD2 TYR 84 -1.247 -8.331 6.524 613 HE1 TYR 84 HE1 TYR 84 -2.064 -13.101 5.440 614 HE2 TYR 84 HE2 TYR 84 -2.677 -9.711 8.006 615 HH TYR 84 HH TYR 84 -2.689 -12.870 8.125 616 H ALA 85 H ALA 85 3.645 -8.482 4.173 617 HA ALA 85 HA ALA 85 4.233 -11.369 4.531 618 HB1 ALA 85 HB1 ALA 85 5.514 -9.183 2.884 619 HB2 ALA 85 HB2 ALA 85 4.873 -10.733 2.338 620 HB3 ALA 85 HB3 ALA 85 6.378 -10.676 3.249 621 H CYS 86 H CYS 86 6.155 -8.331 4.798 622 HA CYS 86 HA CYS 86 7.737 -9.349 6.979 623 HB2 CYS 86 HB3 CYS 86 7.151 -6.446 6.275 624 HB3 CYS 86 HB2 CYS 86 8.509 -7.041 7.223 625 H GLU 87 H GLU 87 4.584 -8.374 6.566 626 HA GLU 87 HA GLU 87 2.830 -7.794 7.994 627 HB2 GLU 87 HB3 GLU 87 4.277 -10.050 8.973 628 HB3 GLU 87 HB2 GLU 87 3.729 -9.114 10.353 629 HG2 GLU 87 HG3 GLU 87 1.899 -9.852 8.068 630 HG3 GLU 87 HG2 GLU 87 2.091 -10.865 9.496 631 H LYS 88 H LYS 88 4.046 -5.604 7.853 632 HA LYS 88 HA LYS 88 4.028 -4.468 10.540 633 HB2 LYS 88 HB3 LYS 88 6.374 -3.449 10.166 634 HB3 LYS 88 HB2 LYS 88 6.305 -5.141 10.662 635 HG2 LYS 88 HG3 LYS 88 6.631 -5.894 8.402 636 HG3 LYS 88 HG2 LYS 88 6.456 -4.261 7.770 637 HD2 LYS 88 HD3 LYS 88 8.820 -4.780 7.841 638 HD3 LYS 88 HD2 LYS 88 8.483 -3.601 9.108 639 HE2 LYS 88 HE3 LYS 88 8.361 -6.535 9.757 640 HE3 LYS 88 HE2 LYS 88 9.926 -5.731 9.665 641 HZ1 LYS 88 HZ1 LYS 88 7.990 -5.614 11.720 642 HZ2 LYS 88 HZ2 LYS 88 8.270 -4.053 11.109 643 HZ3 LYS 88 HZ3 LYS 88 9.563 -4.982 11.701 644 H GLU 89 H GLU 89 4.929 -2.002 10.160 645 HA GLU 89 HA GLU 89 3.500 -1.041 7.711 646 HB2 GLU 89 HB3 GLU 89 3.145 -0.375 10.418 647 HB3 GLU 89 HB2 GLU 89 4.025 0.993 9.742 648 HG2 GLU 89 HG3 GLU 89 2.335 1.462 8.171 649 HG3 GLU 89 HG2 GLU 89 1.624 -0.146 8.310 650 H VAL 90 H VAL 90 4.598 0.436 6.330 651 HA VAL 90 HA VAL 90 7.267 1.383 7.223 652 HB VAL 90 HB VAL 90 7.955 0.483 4.730 653 HG11 VAL 90 HG11 VAL 90 9.193 0.151 6.863 654 HG12 VAL 90 HG12 VAL 90 9.140 -1.318 5.890 655 HG13 VAL 90 HG13 VAL 90 8.078 -1.147 7.287 656 HG21 VAL 90 HG21 VAL 90 5.611 -0.651 4.738 657 HG22 VAL 90 HG22 VAL 90 6.327 -1.784 5.882 658 HG23 VAL 90 HG23 VAL 90 7.001 -1.623 4.260 659 H PHE 91 H PHE 91 7.967 3.208 6.097 660 HA PHE 91 HA PHE 91 5.911 4.511 4.376 661 HB2 PHE 91 HB3 PHE 91 8.330 5.669 5.791 662 HB3 PHE 91 HB2 PHE 91 7.167 6.588 4.841 663 HD1 PHE 91 HD1 PHE 91 5.303 7.532 5.912 664 HD2 PHE 91 HD2 PHE 91 7.310 4.197 7.730 665 HE1 PHE 91 HE1 PHE 91 3.842 7.737 7.905 666 HE2 PHE 91 HE2 PHE 91 5.847 4.402 9.722 667 HZ PHE 91 HZ PHE 91 4.113 6.172 9.809 668 H LEU 92 H LEU 92 6.916 5.934 2.616 669 HA LEU 92 HA LEU 92 8.347 4.445 0.748 670 HB2 LEU 92 HB3 LEU 92 8.368 7.441 1.234 671 HB3 LEU 92 HB2 LEU 92 9.062 6.679 -0.198 672 HG LEU 92 HG LEU 92 6.246 5.965 0.539 673 HD11 LEU 92 HD11 LEU 92 6.029 8.320 0.728 674 HD12 LEU 92 HD12 LEU 92 5.538 7.955 -0.927 675 HD13 LEU 92 HD13 LEU 92 7.143 8.611 -0.607 676 HD21 LEU 92 HD21 LEU 92 7.641 5.007 -1.401 677 HD22 LEU 92 HD22 LEU 92 7.456 6.586 -2.163 678 HD23 LEU 92 HD23 LEU 92 6.033 5.608 -1.804 679 H GLU 93 H GLU 93 10.544 4.195 0.340 680 HA GLU 93 HA GLU 93 12.324 3.843 2.445 681 HB2 GLU 93 HB3 GLU 93 14.137 4.064 0.645 682 HB3 GLU 93 HB2 GLU 93 12.874 2.865 0.354 683 HG2 GLU 93 HG3 GLU 93 11.633 4.630 -0.974 684 HG3 GLU 93 HG2 GLU 93 13.069 5.643 -0.833 685 H GLN 94 H GLN 94 11.080 6.784 1.679 686 HA GLN 94 HA GLN 94 11.693 8.968 2.251 687 HB2 GLN 94 HB3 GLN 94 14.024 7.788 3.763 688 HB3 GLN 94 HB2 GLN 94 13.114 9.256 4.120 689 HG2 GLN 94 HG3 GLN 94 11.075 7.740 4.440 690 HG3 GLN 94 HG2 GLN 94 12.209 6.390 4.435 691 HE21 GLN 94 HE21 GLN 94 10.577 8.279 6.569 692 HE22 GLN 94 HE22 GLN 94 11.685 8.311 7.854 693 H ARG 95 H ARG 95 13.981 6.836 0.766 694 HA ARG 95 HA ARG 95 16.207 8.440 0.294 695 HB2 ARG 95 HB3 ARG 95 16.719 6.985 -1.434 696 HB3 ARG 95 HB2 ARG 95 15.475 6.043 -0.624 697 HG2 ARG 95 HG3 ARG 95 14.774 5.957 -2.851 698 HG3 ARG 95 HG2 ARG 95 13.823 7.296 -2.222 699 HD2 ARG 95 HD3 ARG 95 14.681 8.536 -3.915 700 HD3 ARG 95 HD2 ARG 95 16.220 8.492 -3.058 701 HE ARG 95 HE ARG 95 16.219 6.119 -4.459 702 HH11 ARG 95 HH11 ARG 95 16.995 5.928 -6.574 703 HH12 ARG 95 HH12 ARG 95 17.003 7.317 -7.608 704 HH21 ARG 95 HH21 ARG 95 15.650 9.434 -5.217 705 HH22 ARG 95 HH22 ARG 95 16.242 9.302 -6.840 706 H LEU 96 H LEU 96 12.994 8.713 -1.056 707 HA LEU 96 HA LEU 96 13.868 10.992 -2.765 708 HB2 LEU 96 HB3 LEU 96 11.557 10.836 -3.712 709 HB3 LEU 96 HB2 LEU 96 12.490 9.356 -3.909 710 HG LEU 96 HG LEU 96 11.327 8.815 -1.518 711 HD11 LEU 96 HD11 LEU 96 8.909 9.522 -1.758 712 HD12 LEU 96 HD12 LEU 96 9.427 10.650 -3.008 713 HD13 LEU 96 HD13 LEU 96 10.015 10.833 -1.357 714 HD21 LEU 96 HD21 LEU 96 11.257 7.374 -3.502 715 HD22 LEU 96 HD22 LEU 96 10.070 8.440 -4.255 716 HD23 LEU 96 HD23 LEU 96 9.641 7.525 -2.810 717 H ALA 97 H ALA 97 11.977 12.757 -2.817 718 HA ALA 97 HA ALA 97 10.808 13.242 -0.158 719 HB1 ALA 97 HB1 ALA 97 11.955 15.346 0.220 720 HB2 ALA 97 HB2 ALA 97 12.801 15.209 -1.321 721 HB3 ALA 97 HB3 ALA 97 13.172 14.090 -0.008 722 H ALA 98 H ALA 98 9.074 12.916 -1.955 723 HA ALA 98 HA ALA 98 7.482 13.842 -3.426 724 HB1 ALA 98 HB1 ALA 98 6.844 15.005 -1.392 725 HB2 ALA 98 HB2 ALA 98 6.752 16.144 -2.735 726 HB3 ALA 98 HB3 ALA 98 8.123 16.197 -1.626 727 HA PRO 99 HA PRO 99 10.969 15.528 -6.083 728 HB2 PRO 99 HB3 PRO 99 9.176 14.130 -8.031 729 HB3 PRO 99 HB2 PRO 99 10.947 14.128 -7.928 730 HG2 PRO 99 HG3 PRO 99 9.510 12.040 -7.114 731 HG3 PRO 99 HG2 PRO 99 10.984 12.538 -6.267 732 HD2 PRO 99 HD3 PRO 99 8.135 12.867 -5.436 733 HD3 PRO 99 HD2 PRO 99 9.590 12.670 -4.431 Start of MODEL 11 1 H1 MET 1 H1 MET 1 20.240 -3.132 -1.727 2 HA MET 1 HA MET 1 18.634 -3.943 -3.821 3 HB2 MET 1 HB3 MET 1 19.377 -6.251 -3.393 4 HB3 MET 1 HB2 MET 1 18.955 -6.079 -1.689 5 HG2 MET 1 HG3 MET 1 16.644 -5.988 -2.143 6 HG3 MET 1 HG2 MET 1 16.901 -5.589 -3.841 7 HE1 MET 1 HE1 MET 1 14.914 -7.246 -3.582 8 HE2 MET 1 HE2 MET 1 15.175 -8.341 -2.226 9 HE3 MET 1 HE3 MET 1 15.098 -8.983 -3.865 10 H GLY 2 H GLY 2 19.287 -3.388 -0.449 11 HA2 GLY 2 HA3 GLY 2 16.806 -1.850 -0.206 12 HA3 GLY 2 HA2 GLY 2 16.863 -3.284 0.821 13 H ASP 3 H ASP 3 18.475 -3.387 2.492 14 HA ASP 3 HA ASP 3 19.734 -2.443 4.232 15 HB2 ASP 3 HB3 ASP 3 20.724 -0.496 2.139 16 HB3 ASP 3 HB2 ASP 3 21.574 -1.066 3.576 17 H SER 4 H SER 4 17.970 -1.559 5.407 18 HA SER 4 HA SER 4 18.014 1.158 6.029 19 HB2 SER 4 HB3 SER 4 17.142 2.116 4.153 20 HB3 SER 4 HB2 SER 4 16.509 0.585 3.559 21 HG SER 4 HG SER 4 15.308 2.555 5.053 22 H ARG 5 H ARG 5 15.993 1.834 7.266 23 HA ARG 5 HA ARG 5 14.841 -0.581 8.585 24 HB2 ARG 5 HB3 ARG 5 14.197 1.970 9.850 25 HB3 ARG 5 HB2 ARG 5 15.042 0.577 10.524 26 HG2 ARG 5 HG3 ARG 5 17.121 1.321 9.364 27 HG3 ARG 5 HG2 ARG 5 16.262 2.756 8.803 28 HD2 ARG 5 HD3 ARG 5 15.745 3.259 11.242 29 HD3 ARG 5 HD2 ARG 5 16.883 1.980 11.662 30 HE ARG 5 HE ARG 5 18.254 3.680 9.896 31 HH11 ARG 5 HH11 ARG 5 19.585 5.326 10.687 32 HH12 ARG 5 HH12 ARG 5 19.326 5.937 12.286 33 HH21 ARG 5 HH21 ARG 5 16.653 3.828 12.945 34 HH22 ARG 5 HH22 ARG 5 17.665 5.090 13.564 35 H ASP 6 H ASP 6 13.975 2.379 6.885 36 HA ASP 6 HA ASP 6 11.104 2.013 7.319 37 HB2 ASP 6 HB3 ASP 6 12.656 4.171 6.678 38 HB3 ASP 6 HB2 ASP 6 12.021 3.745 5.090 39 H LEU 7 H LEU 7 13.478 1.116 4.910 40 HA LEU 7 HA LEU 7 11.505 0.456 2.879 41 HB2 LEU 7 HB3 LEU 7 13.301 0.151 1.506 42 HB3 LEU 7 HB2 LEU 7 14.176 0.958 2.797 43 HG LEU 7 HG LEU 7 15.445 -0.974 2.231 44 HD11 LEU 7 HD11 LEU 7 14.325 -0.685 4.813 45 HD12 LEU 7 HD12 LEU 7 15.835 -1.474 4.371 46 HD13 LEU 7 HD13 LEU 7 14.351 -2.415 4.471 47 HD21 LEU 7 HD21 LEU 7 14.581 -2.883 1.413 48 HD22 LEU 7 HD22 LEU 7 13.011 -2.088 1.442 49 HD23 LEU 7 HD23 LEU 7 13.517 -3.093 2.801 50 H CYS 8 H CYS 8 11.081 -1.755 2.122 51 HA CYS 8 HA CYS 8 11.399 -3.817 4.267 52 HB2 CYS 8 HB3 CYS 8 9.149 -3.931 4.477 53 HB3 CYS 8 HB2 CYS 8 8.950 -2.682 3.247 54 HA PRO 9 HA PRO 9 13.113 -6.575 1.298 55 HB2 PRO 9 HB3 PRO 9 11.535 -8.847 1.654 56 HB3 PRO 9 HB2 PRO 9 12.878 -8.377 2.702 57 HG2 PRO 9 HG3 PRO 9 9.976 -7.867 3.047 58 HG3 PRO 9 HG2 PRO 9 11.135 -8.435 4.248 59 HD2 PRO 9 HD3 PRO 9 10.404 -5.883 4.259 60 HD3 PRO 9 HD2 PRO 9 12.126 -6.286 4.463 61 H HIS 10 H HIS 10 9.592 -7.072 1.314 62 HA HIS 10 HA HIS 10 9.485 -7.678 -1.527 63 HB2 HIS 10 HB3 HIS 10 7.068 -6.806 0.062 64 HB3 HIS 10 HB2 HIS 10 7.182 -7.998 -1.231 65 HD2 HIS 10 HD2 HIS 10 7.808 -10.589 -0.409 66 HE1 HIS 10 HE1 HIS 10 8.376 -9.733 3.682 67 HE2 HIS 10 HE2 HIS 10 8.212 -11.584 1.963 68 H LEU 11 H LEU 11 10.120 -4.876 -0.013 69 HA LEU 11 HA LEU 11 8.404 -3.022 -1.417 70 HB2 LEU 11 HB3 LEU 11 9.770 -2.649 0.730 71 HB3 LEU 11 HB2 LEU 11 11.154 -2.428 -0.330 72 HG LEU 11 HG LEU 11 8.576 -0.859 -0.630 73 HD11 LEU 11 HD11 LEU 11 9.784 -0.540 1.605 74 HD12 LEU 11 HD12 LEU 11 9.536 0.914 0.639 75 HD13 LEU 11 HD13 LEU 11 11.117 0.134 0.668 76 HD21 LEU 11 HD21 LEU 11 11.203 -0.926 -2.012 77 HD22 LEU 11 HD22 LEU 11 10.613 0.685 -1.615 78 HD23 LEU 11 HD23 LEU 11 9.630 -0.390 -2.603 79 H ASP 12 H ASP 12 11.499 -4.556 -2.105 80 HA ASP 12 HA ASP 12 12.005 -2.864 -4.446 81 HB2 ASP 12 HB3 ASP 12 13.886 -3.803 -3.171 82 HB3 ASP 12 HB2 ASP 12 13.317 -5.436 -3.522 83 H SER 13 H SER 13 10.312 -5.810 -3.753 84 HA SER 13 HA SER 13 10.368 -6.765 -6.527 85 HB2 SER 13 HB3 SER 13 10.174 -8.215 -4.404 86 HB3 SER 13 HB2 SER 13 8.488 -7.709 -4.361 87 HG SER 13 HG SER 13 8.756 -9.644 -5.538 88 H ILE 14 H ILE 14 8.422 -4.597 -4.663 89 HA ILE 14 HA ILE 14 6.116 -4.858 -6.515 90 HB ILE 14 HB ILE 14 5.122 -3.077 -5.026 91 HG12 ILE 14 HG13 ILE 14 6.309 -2.860 -2.788 92 HG13 ILE 14 HG12 ILE 14 7.734 -3.531 -3.569 93 HG21 ILE 14 HG21 ILE 14 6.098 -5.432 -3.412 94 HG22 ILE 14 HG22 ILE 14 4.954 -5.647 -4.734 95 HG23 ILE 14 HG23 ILE 14 4.524 -4.640 -3.354 96 HD11 ILE 14 HD11 ILE 14 6.379 -1.239 -4.920 97 HD12 ILE 14 HD12 ILE 14 8.093 -1.645 -4.838 98 HD13 ILE 14 HD13 ILE 14 7.299 -0.894 -3.456 99 H GLY 15 H GLY 15 9.023 -3.378 -6.713 100 HA2 GLY 15 HA3 GLY 15 9.824 -1.414 -7.758 101 HA3 GLY 15 HA2 GLY 15 8.593 -1.833 -8.946 102 H GLU 16 H GLU 16 7.855 0.240 -9.432 103 HA GLU 16 HA GLU 16 6.369 1.611 -7.244 104 HB2 GLU 16 HB3 GLU 16 8.329 2.926 -7.251 105 HB3 GLU 16 HB2 GLU 16 8.515 2.810 -8.997 106 HG2 GLU 16 HG3 GLU 16 6.030 4.105 -7.921 107 HG3 GLU 16 HG2 GLU 16 7.534 5.022 -7.861 108 H VAL 17 H VAL 17 4.308 1.669 -7.962 109 HA VAL 17 HA VAL 17 3.673 1.540 -10.812 110 HB VAL 17 HB VAL 17 1.320 1.668 -10.029 111 HG11 VAL 17 HG11 VAL 17 1.301 -0.436 -8.846 112 HG12 VAL 17 HG12 VAL 17 2.951 -0.188 -8.275 113 HG13 VAL 17 HG13 VAL 17 2.644 -0.484 -9.986 114 HG21 VAL 17 HG21 VAL 17 0.942 1.715 -7.545 115 HG22 VAL 17 HG22 VAL 17 1.590 3.227 -8.181 116 HG23 VAL 17 HG23 VAL 17 2.651 2.099 -7.337 117 H THR 18 H THR 18 1.600 3.297 -11.194 118 HA THR 18 HA THR 18 2.960 5.800 -11.585 119 HB THR 18 HB THR 18 0.164 6.290 -11.599 120 HG1 THR 18 HG1 THR 18 0.900 3.717 -12.524 121 HG21 THR 18 HG21 THR 18 1.686 7.187 -13.250 122 HG22 THR 18 HG22 THR 18 0.507 6.180 -14.091 123 HG23 THR 18 HG23 THR 18 2.133 5.568 -13.786 124 H LYS 19 H LYS 19 3.182 7.506 -10.207 125 HA LYS 19 HA LYS 19 2.563 7.278 -7.439 126 HB2 LYS 19 HB3 LYS 19 2.594 10.064 -8.292 127 HB3 LYS 19 HB2 LYS 19 3.777 9.194 -7.316 128 HG2 LYS 19 HG3 LYS 19 4.427 8.144 -9.683 129 HG3 LYS 19 HG2 LYS 19 3.717 9.644 -10.275 130 HD2 LYS 19 HD3 LYS 19 5.899 10.352 -9.954 131 HD3 LYS 19 HD2 LYS 19 5.253 10.692 -8.349 132 HE2 LYS 19 HE3 LYS 19 5.978 8.306 -7.724 133 HE3 LYS 19 HE2 LYS 19 6.896 8.311 -9.228 134 HZ1 LYS 19 HZ1 LYS 19 8.046 10.302 -8.472 135 HZ2 LYS 19 HZ2 LYS 19 8.260 9.023 -7.375 136 HZ3 LYS 19 HZ3 LYS 19 7.171 10.278 -7.019 137 H GLU 20 H GLU 20 0.994 9.237 -9.960 138 HA GLU 20 HA GLU 20 -1.226 10.152 -8.605 139 HB2 GLU 20 HB3 GLU 20 -0.998 10.828 -10.848 140 HB3 GLU 20 HB2 GLU 20 -0.913 9.158 -11.420 141 HG2 GLU 20 HG3 GLU 20 -3.292 8.856 -10.650 142 HG3 GLU 20 HG2 GLU 20 -3.338 10.576 -10.272 143 H ASP 21 H ASP 21 -0.517 6.913 -9.775 144 HA ASP 21 HA ASP 21 -3.063 5.719 -9.454 145 HB2 ASP 21 HB3 ASP 21 -0.724 4.689 -10.187 146 HB3 ASP 21 HB2 ASP 21 -0.628 4.244 -8.485 147 H LEU 22 H LEU 22 -0.561 6.490 -7.091 148 HA LEU 22 HA LEU 22 -2.035 5.401 -4.840 149 HB2 LEU 22 HB3 LEU 22 0.061 7.548 -4.589 150 HB3 LEU 22 HB2 LEU 22 -0.279 6.206 -3.496 151 HG LEU 22 HG LEU 22 0.977 6.023 -6.248 152 HD11 LEU 22 HD11 LEU 22 2.549 6.754 -4.547 153 HD12 LEU 22 HD12 LEU 22 2.875 5.059 -4.912 154 HD13 LEU 22 HD13 LEU 22 2.000 5.492 -3.443 155 HD21 LEU 22 HD21 LEU 22 -0.428 4.096 -5.997 156 HD22 LEU 22 HD22 LEU 22 0.029 3.901 -4.305 157 HD23 LEU 22 HD23 LEU 22 1.201 3.567 -5.580 158 H LEU 23 H LEU 23 -2.060 8.281 -6.667 159 HA LEU 23 HA LEU 23 -3.376 9.916 -4.627 160 HB2 LEU 23 HB3 LEU 23 -3.104 10.361 -7.622 161 HB3 LEU 23 HB2 LEU 23 -3.473 11.586 -6.429 162 HG LEU 23 HG LEU 23 -0.875 10.038 -6.726 163 HD11 LEU 23 HD11 LEU 23 0.048 12.037 -7.439 164 HD12 LEU 23 HD12 LEU 23 -1.060 13.023 -6.484 165 HD13 LEU 23 HD13 LEU 23 -1.604 12.304 -7.998 166 HD21 LEU 23 HD21 LEU 23 -0.210 11.593 -4.738 167 HD22 LEU 23 HD22 LEU 23 -1.133 10.135 -4.381 168 HD23 LEU 23 HD23 LEU 23 -1.943 11.702 -4.434 169 H LEU 24 H LEU 24 -4.466 8.499 -7.786 170 HA LEU 24 HA LEU 24 -7.218 9.091 -7.276 171 HB2 LEU 24 HB3 LEU 24 -7.780 7.430 -8.953 172 HB3 LEU 24 HB2 LEU 24 -6.402 8.377 -9.521 173 HG LEU 24 HG LEU 24 -5.089 6.352 -8.272 174 HD11 LEU 24 HD11 LEU 24 -7.496 5.009 -9.530 175 HD12 LEU 24 HD12 LEU 24 -7.370 5.273 -7.794 176 HD13 LEU 24 HD13 LEU 24 -6.195 4.250 -8.615 177 HD21 LEU 24 HD21 LEU 24 -6.197 6.482 -11.088 178 HD22 LEU 24 HD22 LEU 24 -5.003 5.287 -10.587 179 HD23 LEU 24 HD23 LEU 24 -4.608 7.004 -10.535 180 H LYS 25 H LYS 25 -5.197 6.240 -6.506 181 HA LYS 25 HA LYS 25 -7.163 4.581 -5.390 182 HB2 LYS 25 HB3 LYS 25 -4.299 5.138 -4.603 183 HB3 LYS 25 HB2 LYS 25 -5.280 4.008 -3.675 184 HG2 LYS 25 HG3 LYS 25 -5.577 2.562 -5.541 185 HG3 LYS 25 HG2 LYS 25 -5.027 3.788 -6.678 186 HD2 LYS 25 HD3 LYS 25 -2.765 3.564 -6.000 187 HD3 LYS 25 HD2 LYS 25 -3.206 2.721 -4.519 188 HE2 LYS 25 HE3 LYS 25 -4.074 0.832 -5.923 189 HE3 LYS 25 HE2 LYS 25 -3.459 1.667 -7.349 190 HZ1 LYS 25 HZ1 LYS 25 -1.835 0.795 -5.020 191 HZ2 LYS 25 HZ2 LYS 25 -1.244 1.600 -6.395 192 HZ3 LYS 25 HZ3 LYS 25 -1.881 0.031 -6.533 193 H SER 26 H SER 26 -5.523 7.386 -4.003 194 HA SER 26 HA SER 26 -6.919 7.329 -1.464 195 HB2 SER 26 HB3 SER 26 -4.692 8.556 -2.158 196 HB3 SER 26 HB2 SER 26 -5.768 9.818 -2.727 197 HG SER 26 HG SER 26 -6.756 9.493 -0.504 198 H LYS 27 H LYS 27 -8.258 7.537 -4.365 199 HA LYS 27 HA LYS 27 -9.603 9.940 -4.665 200 HB2 LYS 27 HB3 LYS 27 -11.577 8.449 -5.525 201 HB3 LYS 27 HB2 LYS 27 -10.044 8.456 -6.391 202 HG2 LYS 27 HG3 LYS 27 -9.561 6.295 -5.837 203 HG3 LYS 27 HG2 LYS 27 -10.244 6.447 -4.213 204 HD2 LYS 27 HD3 LYS 27 -11.613 4.910 -5.514 205 HD3 LYS 27 HD2 LYS 27 -12.532 6.392 -5.247 206 HE2 LYS 27 HE3 LYS 27 -11.879 7.211 -7.477 207 HE3 LYS 27 HE2 LYS 27 -10.936 5.745 -7.745 208 HZ1 LYS 27 HZ1 LYS 27 -12.967 4.447 -7.508 209 HZ2 LYS 27 HZ2 LYS 27 -13.109 5.576 -8.770 210 HZ3 LYS 27 HZ3 LYS 27 -13.868 5.865 -7.277 211 H GLY 28 H GLY 28 -10.781 7.211 -2.586 212 HA2 GLY 28 HA3 GLY 28 -11.591 8.404 -0.380 213 HA3 GLY 28 HA2 GLY 28 -12.750 9.142 -1.470 214 H THR 29 H THR 29 -12.061 5.989 -2.506 215 HA THR 29 HA THR 29 -14.054 4.728 -0.736 216 HB THR 29 HB THR 29 -15.731 4.404 -2.292 217 HG1 THR 29 HG1 THR 29 -15.394 4.375 -4.470 218 HG21 THR 29 HG21 THR 29 -14.514 7.028 -3.188 219 HG22 THR 29 HG22 THR 29 -15.594 6.818 -1.809 220 HG23 THR 29 HG23 THR 29 -16.184 6.530 -3.442 221 H CYS 30 H CYS 30 -13.916 2.492 -0.743 222 HA CYS 30 HA CYS 30 -11.569 1.230 -1.840 223 HB2 CYS 30 HB3 CYS 30 -12.606 0.237 0.120 224 HB3 CYS 30 HB2 CYS 30 -14.146 0.079 -0.717 225 H GLN 31 H GLN 31 -11.305 0.440 -3.907 226 HA GLN 31 HA GLN 31 -13.355 0.880 -5.872 227 HB2 GLN 31 HB3 GLN 31 -11.867 -0.245 -7.451 228 HB3 GLN 31 HB2 GLN 31 -10.962 0.890 -6.462 229 HG2 GLN 31 HG3 GLN 31 -9.599 -1.013 -6.420 230 HG3 GLN 31 HG2 GLN 31 -10.509 -1.171 -4.926 231 HE21 GLN 31 HE21 GLN 31 -12.555 -1.753 -7.598 232 HE22 GLN 31 HE22 GLN 31 -12.474 -3.448 -7.592 233 H SER 32 H SER 32 -12.998 -1.583 -3.600 234 HA SER 32 HA SER 32 -14.652 -3.451 -5.263 235 HB2 SER 32 HB3 SER 32 -12.941 -4.049 -2.834 236 HB3 SER 32 HB2 SER 32 -13.879 -5.230 -3.747 237 HG SER 32 HG SER 32 -11.779 -3.599 -4.750 238 H CYS 33 H CYS 33 -14.519 -1.521 -2.377 239 HA CYS 33 HA CYS 33 -17.247 -2.519 -1.626 240 HB2 CYS 33 HB3 CYS 33 -15.146 -1.437 0.276 241 HB3 CYS 33 HB2 CYS 33 -16.704 -2.127 0.710 242 H GLY 34 H GLY 34 -15.196 0.141 -2.390 243 HA2 GLY 34 HA3 GLY 34 -15.563 2.458 -2.374 244 HA3 GLY 34 HA2 GLY 34 -17.202 2.016 -2.858 245 H VAL 35 H VAL 35 -15.264 1.821 0.138 246 HA VAL 35 HA VAL 35 -17.690 2.450 1.694 247 HB VAL 35 HB VAL 35 -16.130 1.919 3.648 248 HG11 VAL 35 HG11 VAL 35 -17.240 -0.030 3.340 249 HG12 VAL 35 HG12 VAL 35 -15.893 -0.567 2.338 250 HG13 VAL 35 HG13 VAL 35 -17.291 0.200 1.594 251 HG21 VAL 35 HG21 VAL 35 -14.079 2.422 2.113 252 HG22 VAL 35 HG22 VAL 35 -14.326 0.784 1.514 253 HG23 VAL 35 HG23 VAL 35 -13.981 1.056 3.221 254 H THR 36 H THR 36 -14.438 3.910 1.153 255 HA THR 36 HA THR 36 -15.253 6.553 1.385 256 HB THR 36 HB THR 36 -16.104 6.420 3.567 257 HG1 THR 36 HG1 THR 36 -14.580 7.455 4.845 258 HG21 THR 36 HG21 THR 36 -14.370 5.193 5.286 259 HG22 THR 36 HG22 THR 36 -14.110 4.243 3.826 260 HG23 THR 36 HG23 THR 36 -15.727 4.374 4.517 261 H GLY 37 H GLY 37 -13.322 7.937 2.525 262 HA2 GLY 37 HA3 GLY 37 -10.876 6.954 1.194 263 HA3 GLY 37 HA2 GLY 37 -11.153 8.588 1.753 264 HA PRO 38 HA PRO 38 -9.061 8.208 5.536 265 HB2 PRO 38 HB3 PRO 38 -11.249 7.926 7.385 266 HB3 PRO 38 HB2 PRO 38 -10.243 9.347 7.076 267 HG2 PRO 38 HG3 PRO 38 -12.931 8.739 6.112 268 HG3 PRO 38 HG2 PRO 38 -12.073 10.286 6.143 269 HD2 PRO 38 HD3 PRO 38 -12.605 8.884 3.831 270 HD3 PRO 38 HD2 PRO 38 -11.246 10.016 4.002 271 H ASN 39 H ASN 39 -8.049 6.475 6.258 272 HA ASN 39 HA ASN 39 -7.675 4.340 7.149 273 HB2 ASN 39 HB3 ASN 39 -10.164 4.904 8.115 274 HB3 ASN 39 HB2 ASN 39 -10.509 3.493 7.114 275 HD21 ASN 39 HD21 ASN 39 -7.814 4.448 9.335 276 HD22 ASN 39 HD22 ASN 39 -7.791 2.968 10.168 277 H LEU 40 H LEU 40 -8.117 5.020 4.215 278 HA LEU 40 HA LEU 40 -9.206 2.517 3.128 279 HB2 LEU 40 HB3 LEU 40 -8.064 5.030 1.968 280 HB3 LEU 40 HB2 LEU 40 -7.982 3.580 0.982 281 HG LEU 40 HG LEU 40 -10.472 4.917 2.080 282 HD11 LEU 40 HD11 LEU 40 -9.680 4.200 -0.750 283 HD12 LEU 40 HD12 LEU 40 -9.338 5.768 -0.029 284 HD13 LEU 40 HD13 LEU 40 -11.005 5.240 -0.251 285 HD21 LEU 40 HD21 LEU 40 -11.192 2.718 2.246 286 HD22 LEU 40 HD22 LEU 40 -10.013 2.135 1.068 287 HD23 LEU 40 HD23 LEU 40 -11.468 2.963 0.523 288 H TRP 41 H TRP 41 -7.673 1.404 1.432 289 HA TRP 41 HA TRP 41 -4.838 1.422 2.094 290 HB2 TRP 41 HB3 TRP 41 -6.536 -0.271 3.630 291 HB3 TRP 41 HB2 TRP 41 -5.656 -1.316 2.519 292 HD1 TRP 41 HD TRP 41 -2.894 -0.021 2.342 293 HE1 TRP 41 HE1 TRP 41 -1.330 0.138 4.385 294 HE3 TRP 41 HE3 TRP 41 -6.310 -0.478 6.109 295 HZ2 TRP 41 HZ2 TRP 41 -1.507 0.080 7.242 296 HZ3 TRP 41 HZ3 TRP 41 -5.587 -0.425 8.477 297 HH2 TRP 41 HH2 TRP 41 -3.191 -0.147 9.048 298 H ALA 42 H ALA 42 -4.422 1.616 -0.095 299 HA ALA 42 HA ALA 42 -5.673 -0.311 -1.951 300 HB1 ALA 42 HB1 ALA 42 -4.605 1.085 -3.703 301 HB2 ALA 42 HB2 ALA 42 -3.872 2.072 -2.439 302 HB3 ALA 42 HB3 ALA 42 -5.624 2.035 -2.625 303 H CYS 43 H CYS 43 -4.541 -1.813 -3.122 304 HA CYS 43 HA CYS 43 -2.179 -2.957 -2.014 305 HB2 CYS 43 HB3 CYS 43 -3.935 -4.000 -3.603 306 HB3 CYS 43 HB2 CYS 43 -3.004 -3.256 -4.905 307 H LEU 44 H LEU 44 0.011 -2.900 -2.852 308 HA LEU 44 HA LEU 44 0.559 -0.625 -4.713 309 HB2 LEU 44 HB3 LEU 44 0.943 -0.047 -2.274 310 HB3 LEU 44 HB2 LEU 44 2.223 -1.256 -2.270 311 HG LEU 44 HG LEU 44 2.853 0.188 -4.530 312 HD11 LEU 44 HD11 LEU 44 1.025 1.811 -3.941 313 HD12 LEU 44 HD12 LEU 44 2.626 2.545 -4.039 314 HD13 LEU 44 HD13 LEU 44 1.911 2.195 -2.466 315 HD21 LEU 44 HD21 LEU 44 4.653 1.151 -3.204 316 HD22 LEU 44 HD22 LEU 44 4.359 -0.494 -2.642 317 HD23 LEU 44 HD23 LEU 44 3.750 0.877 -1.716 318 H GLN 45 H GLN 45 0.509 -3.431 -5.453 319 HA GLN 45 HA GLN 45 3.356 -4.216 -5.517 320 HB2 GLN 45 HB3 GLN 45 1.224 -5.646 -7.070 321 HB3 GLN 45 HB2 GLN 45 2.684 -6.294 -6.319 322 HG2 GLN 45 HG3 GLN 45 0.844 -5.067 -4.375 323 HG3 GLN 45 HG2 GLN 45 0.139 -6.431 -5.239 324 HE21 GLN 45 HE21 GLN 45 1.721 -5.816 -2.442 325 HE22 GLN 45 HE22 GLN 45 2.608 -7.253 -2.264 326 H VAL 46 H VAL 46 4.619 -4.221 -7.368 327 HA VAL 46 HA VAL 46 4.485 -2.188 -9.215 328 HB VAL 46 HB VAL 46 6.447 -3.579 -9.107 329 HG11 VAL 46 HG11 VAL 46 5.352 -5.698 -8.550 330 HG12 VAL 46 HG12 VAL 46 6.399 -5.916 -9.951 331 HG13 VAL 46 HG13 VAL 46 4.654 -5.783 -10.167 332 HG21 VAL 46 HG21 VAL 46 5.723 -2.519 -11.347 333 HG22 VAL 46 HG22 VAL 46 5.277 -4.154 -11.831 334 HG23 VAL 46 HG23 VAL 46 6.950 -3.782 -11.416 335 H ALA 47 H ALA 47 2.304 -4.875 -9.152 336 HA ALA 47 HA ALA 47 1.152 -3.891 -11.713 337 HB1 ALA 47 HB1 ALA 47 2.570 -5.737 -12.403 338 HB2 ALA 47 HB2 ALA 47 0.884 -6.242 -12.516 339 HB3 ALA 47 HB3 ALA 47 1.876 -6.780 -11.161 340 H CYS 48 H CYS 48 -0.012 -3.349 -9.271 341 HA CYS 48 HA CYS 48 -2.501 -4.934 -9.512 342 HB2 CYS 48 HB3 CYS 48 -0.944 -5.919 -7.696 343 HB3 CYS 48 HB2 CYS 48 -1.335 -4.471 -6.773 344 HA PRO 49 HA PRO 49 -3.311 -0.488 -8.661 345 HB2 PRO 49 HB3 PRO 49 -4.689 0.101 -10.904 346 HB3 PRO 49 HB2 PRO 49 -2.916 0.019 -10.897 347 HG2 PRO 49 HG3 PRO 49 -4.893 -1.930 -11.946 348 HG3 PRO 49 HG2 PRO 49 -3.275 -1.527 -12.543 349 HD2 PRO 49 HD3 PRO 49 -3.945 -3.763 -10.941 350 HD3 PRO 49 HD2 PRO 49 -2.304 -3.171 -11.279 351 H TYR 50 H TYR 50 -4.807 -0.868 -6.986 352 HA TYR 50 HA TYR 50 -7.612 -0.668 -7.618 353 HB2 TYR 50 HB3 TYR 50 -6.517 -3.340 -6.702 354 HB3 TYR 50 HB2 TYR 50 -8.186 -2.869 -6.391 355 HD1 TYR 50 HD1 TYR 50 -6.122 -4.577 -8.635 356 HD2 TYR 50 HD2 TYR 50 -9.402 -1.803 -8.567 357 HE1 TYR 50 HE1 TYR 50 -6.744 -5.254 -10.936 358 HE2 TYR 50 HE2 TYR 50 -10.023 -2.481 -10.869 359 HH TYR 50 HH TYR 50 -9.691 -4.557 -12.325 360 H VAL 51 H VAL 51 -8.567 0.316 -5.822 361 HA VAL 51 HA VAL 51 -6.869 0.439 -3.393 362 HB VAL 51 HB VAL 51 -7.323 2.619 -4.131 363 HG11 VAL 51 HG11 VAL 51 -9.080 2.042 -5.754 364 HG12 VAL 51 HG12 VAL 51 -9.585 3.396 -4.742 365 HG13 VAL 51 HG13 VAL 51 -10.221 1.782 -4.435 366 HG21 VAL 51 HG21 VAL 51 -8.269 3.545 -2.250 367 HG22 VAL 51 HG22 VAL 51 -8.039 1.902 -1.659 368 HG23 VAL 51 HG23 VAL 51 -9.624 2.418 -2.236 369 H GLY 52 H GLY 52 -7.362 -1.110 -1.981 370 HA2 GLY 52 HA3 GLY 52 -10.121 -2.080 -1.700 371 HA3 GLY 52 HA2 GLY 52 -8.709 -2.729 -0.882 372 H CYS 53 H CYS 53 -10.470 -2.576 0.921 373 HA CYS 53 HA CYS 53 -10.657 0.145 2.111 374 HB2 CYS 53 HB3 CYS 53 -11.897 -1.486 3.899 375 HB3 CYS 53 HB2 CYS 53 -12.746 -0.764 2.559 376 H GLY 54 H GLY 54 -10.528 0.121 4.484 377 HA2 GLY 54 HA3 GLY 54 -8.262 -1.543 5.502 378 HA3 GLY 54 HA2 GLY 54 -8.529 0.142 6.006 379 H GLU 55 H GLU 55 -8.701 -2.069 7.882 380 HA GLU 55 HA GLU 55 -10.945 -3.350 8.523 381 HB2 GLU 55 HB3 GLU 55 -10.796 -2.701 10.824 382 HB3 GLU 55 HB2 GLU 55 -9.157 -2.708 10.181 383 HG2 GLU 55 HG3 GLU 55 -9.507 -0.210 9.706 384 HG3 GLU 55 HG2 GLU 55 -10.918 -0.329 10.757 385 H SER 56 H SER 56 -10.807 0.145 8.332 386 HA SER 56 HA SER 56 -13.130 1.162 9.237 387 HB2 SER 56 HB3 SER 56 -11.548 1.621 6.848 388 HB3 SER 56 HB2 SER 56 -13.244 1.912 6.519 389 HG SER 56 HG SER 56 -12.301 3.781 7.357 390 H PHE 57 H PHE 57 -12.899 -0.971 6.403 391 HA PHE 57 HA PHE 57 -15.851 -1.449 6.640 392 HB2 PHE 57 HB3 PHE 57 -15.265 -0.469 4.487 393 HB3 PHE 57 HB2 PHE 57 -14.092 -1.731 4.201 394 HD1 PHE 57 HD1 PHE 57 -14.790 -3.514 2.856 395 HD2 PHE 57 HD2 PHE 57 -17.686 -1.453 5.270 396 HE1 PHE 57 HE1 PHE 57 -16.579 -4.980 1.965 397 HE2 PHE 57 HE2 PHE 57 -19.472 -2.919 4.375 398 HZ PHE 57 HZ PHE 57 -18.920 -4.682 2.723 399 H ALA 58 H ALA 58 -13.771 -3.338 4.657 400 HA ALA 58 HA ALA 58 -13.986 -5.630 6.586 401 HB1 ALA 58 HB1 ALA 58 -15.428 -5.948 4.595 402 HB2 ALA 58 HB2 ALA 58 -14.107 -7.115 4.617 403 HB3 ALA 58 HB3 ALA 58 -14.028 -5.714 3.549 404 H ASP 59 H ASP 59 -11.943 -3.454 5.304 405 HA ASP 59 HA ASP 59 -9.635 -3.361 4.977 406 HB2 ASP 59 HB3 ASP 59 -9.515 -4.078 7.270 407 HB3 ASP 59 HB2 ASP 59 -9.834 -5.746 6.833 408 H HIS 60 H HIS 60 -10.480 -4.198 2.665 409 HA HIS 60 HA HIS 60 -10.069 -6.841 1.797 410 HB2 HIS 60 HB3 HIS 60 -9.974 -4.191 0.531 411 HB3 HIS 60 HB2 HIS 60 -8.912 -5.345 -0.250 412 HD2 HIS 60 HD2 HIS 60 -10.462 -7.939 -0.732 413 HE1 HIS 60 HE1 HIS 60 -13.975 -5.750 -1.540 414 HE2 HIS 60 HE2 HIS 60 -12.855 -8.010 -1.754 415 H SER 61 H SER 61 -7.871 -4.426 2.877 416 HA SER 61 HA SER 61 -5.383 -5.123 1.883 417 HB2 SER 61 HB3 SER 61 -6.169 -3.485 3.820 418 HB3 SER 61 HB2 SER 61 -5.636 -4.802 4.852 419 HG SER 61 HG SER 61 -4.158 -3.351 2.914 420 H THR 62 H THR 62 -7.337 -6.985 4.162 421 HA THR 62 HA THR 62 -5.128 -8.871 4.621 422 HB THR 62 HB THR 62 -7.086 -10.102 5.839 423 HG1 THR 62 HG1 THR 62 -8.237 -7.858 4.887 424 HG21 THR 62 HG21 THR 62 -6.806 -8.360 7.766 425 HG22 THR 62 HG22 THR 62 -5.673 -7.579 6.664 426 HG23 THR 62 HG23 THR 62 -5.385 -9.234 7.197 427 H ILE 63 H ILE 63 -8.543 -9.349 3.613 428 HA ILE 63 HA ILE 63 -8.078 -11.905 2.550 429 HB ILE 63 HB ILE 63 -10.125 -11.453 1.110 430 HG12 ILE 63 HG13 ILE 63 -10.254 -8.929 2.761 431 HG13 ILE 63 HG12 ILE 63 -9.602 -8.964 1.124 432 HG21 ILE 63 HG21 ILE 63 -10.314 -10.884 4.088 433 HG22 ILE 63 HG22 ILE 63 -10.219 -12.491 3.367 434 HG23 ILE 63 HG23 ILE 63 -11.623 -11.469 3.063 435 HD11 ILE 63 HD11 ILE 63 -12.082 -8.376 1.311 436 HD12 ILE 63 HD12 ILE 63 -12.340 -10.049 1.801 437 HD13 ILE 63 HD13 ILE 63 -11.687 -9.690 0.203 438 H HIS 64 H HIS 64 -7.634 -8.750 1.153 439 HA HIS 64 HA HIS 64 -7.203 -9.639 -1.566 440 HB2 HIS 64 HB3 HIS 64 -7.769 -7.282 -1.043 441 HB3 HIS 64 HB2 HIS 64 -6.226 -7.110 -0.201 442 HD1 HIS 64 HD1 HIS 64 -7.730 -6.962 -3.550 443 HD2 HIS 64 HD2 HIS 64 -3.908 -7.482 -1.969 444 HE1 HIS 64 HE1 HIS 64 -6.106 -6.586 -5.459 445 H ALA 65 H ALA 65 -5.051 -8.936 1.196 446 HA ALA 65 HA ALA 65 -2.640 -9.597 -0.345 447 HB1 ALA 65 HB1 ALA 65 -1.606 -9.642 2.005 448 HB2 ALA 65 HB2 ALA 65 -3.197 -9.177 2.608 449 HB3 ALA 65 HB3 ALA 65 -2.321 -8.106 1.515 450 H GLN 66 H GLN 66 -5.089 -11.154 1.343 451 HA GLN 66 HA GLN 66 -3.725 -13.652 1.980 452 HB2 GLN 66 HB3 GLN 66 -5.500 -12.855 3.390 453 HB3 GLN 66 HB2 GLN 66 -6.535 -12.612 2.011 454 HG2 GLN 66 HG3 GLN 66 -7.447 -14.574 2.661 455 HG3 GLN 66 HG2 GLN 66 -6.112 -15.263 1.739 456 HE21 GLN 66 HE21 GLN 66 -4.349 -16.248 2.919 457 HE22 GLN 66 HE22 GLN 66 -4.414 -16.502 4.596 458 H ALA 67 H ALA 67 -5.922 -12.437 -0.527 459 HA ALA 67 HA ALA 67 -6.166 -15.097 -1.752 460 HB1 ALA 67 HB1 ALA 67 -7.423 -12.418 -2.157 461 HB2 ALA 67 HB2 ALA 67 -8.184 -14.000 -2.003 462 HB3 ALA 67 HB3 ALA 67 -7.414 -13.537 -3.521 463 H LYS 68 H LYS 68 -4.789 -11.929 -2.561 464 HA LYS 68 HA LYS 68 -3.497 -13.103 -4.961 465 HB2 LYS 68 HB3 LYS 68 -3.485 -10.247 -3.946 466 HB3 LYS 68 HB2 LYS 68 -2.941 -10.804 -5.525 467 HG2 LYS 68 HG3 LYS 68 -5.081 -10.237 -6.147 468 HG3 LYS 68 HG2 LYS 68 -5.436 -11.852 -5.534 469 HD2 LYS 68 HD3 LYS 68 -6.111 -10.965 -3.392 470 HD3 LYS 68 HD2 LYS 68 -5.568 -9.351 -3.836 471 HE2 LYS 68 HE3 LYS 68 -7.264 -9.194 -5.566 472 HE3 LYS 68 HE2 LYS 68 -7.749 -10.867 -5.290 473 HZ1 LYS 68 HZ1 LYS 68 -7.895 -8.713 -3.253 474 HZ2 LYS 68 HZ2 LYS 68 -8.466 -10.304 -3.089 475 HZ3 LYS 68 HZ3 LYS 68 -9.207 -9.242 -4.188 476 H LYS 69 H LYS 69 -2.835 -13.032 -1.796 477 HA LYS 69 HA LYS 69 -0.888 -13.195 -0.527 478 HB2 LYS 69 HB3 LYS 69 -0.151 -14.204 -3.239 479 HB3 LYS 69 HB2 LYS 69 1.165 -13.898 -2.109 480 HG2 LYS 69 HG3 LYS 69 0.209 -16.253 -2.051 481 HG3 LYS 69 HG2 LYS 69 0.262 -15.422 -0.498 482 HD2 LYS 69 HD3 LYS 69 -2.042 -15.153 -0.402 483 HD3 LYS 69 HD2 LYS 69 -2.222 -15.150 -2.155 484 HE2 LYS 69 HE3 LYS 69 -1.856 -17.540 -2.260 485 HE3 LYS 69 HE2 LYS 69 -1.450 -17.598 -0.545 486 HZ1 LYS 69 HZ1 LYS 69 -3.825 -18.203 -1.298 487 HZ2 LYS 69 HZ2 LYS 69 -4.051 -16.523 -1.412 488 HZ3 LYS 69 HZ3 LYS 69 -3.621 -17.227 0.074 489 H HIS 70 H HIS 70 -1.519 -10.615 -2.201 490 HA HIS 70 HA HIS 70 1.123 -9.405 -2.570 491 HB2 HIS 70 HB3 HIS 70 -1.674 -8.226 -2.439 492 HB3 HIS 70 HB2 HIS 70 -0.228 -7.277 -2.768 493 HD2 HIS 70 HD2 HIS 70 1.041 -9.876 -4.727 494 HE1 HIS 70 HE1 HIS 70 -2.173 -8.724 -7.203 495 HE2 HIS 70 HE2 HIS 70 0.009 -10.009 -7.112 496 H ASN 71 H ASN 71 2.378 -8.661 -0.893 497 HA ASN 71 HA ASN 71 1.165 -8.595 1.798 498 HB2 ASN 71 HB3 ASN 71 4.018 -7.915 1.505 499 HB3 ASN 71 HB2 ASN 71 3.236 -9.081 2.565 500 HD21 ASN 71 HD21 ASN 71 1.925 -10.740 0.703 501 HD22 ASN 71 HD22 ASN 71 3.078 -11.503 -0.282 502 H LEU 72 H LEU 72 3.048 -6.371 -0.267 503 HA LEU 72 HA LEU 72 2.740 -4.218 1.664 504 HB2 LEU 72 HB3 LEU 72 3.850 -4.334 -1.132 505 HB3 LEU 72 HB2 LEU 72 3.827 -2.860 -0.165 506 HG LEU 72 HG LEU 72 5.044 -5.455 0.807 507 HD11 LEU 72 HD11 LEU 72 7.224 -4.443 0.214 508 HD12 LEU 72 HD12 LEU 72 6.383 -3.074 -0.510 509 HD13 LEU 72 HD13 LEU 72 6.221 -4.682 -1.217 510 HD21 LEU 72 HD21 LEU 72 4.673 -4.070 2.678 511 HD22 LEU 72 HD22 LEU 72 4.975 -2.592 1.768 512 HD23 LEU 72 HD23 LEU 72 6.317 -3.643 2.217 513 H THR 73 H THR 73 1.406 -2.563 1.673 514 HA THR 73 HA THR 73 -0.291 -1.870 -0.629 515 HB THR 73 HB THR 73 -2.378 -2.180 0.458 516 HG1 THR 73 HG1 THR 73 -1.056 -2.817 2.869 517 HG21 THR 73 HG21 THR 73 -1.305 -4.335 -0.208 518 HG22 THR 73 HG22 THR 73 -2.429 -4.517 1.138 519 HG23 THR 73 HG23 THR 73 -0.691 -4.500 1.438 520 H VAL 74 H VAL 74 -1.326 0.345 -0.130 521 HA VAL 74 HA VAL 74 0.265 1.707 2.014 522 HB VAL 74 HB VAL 74 1.208 2.479 0.012 523 HG11 VAL 74 HG11 VAL 74 -1.624 2.818 -1.044 524 HG12 VAL 74 HG12 VAL 74 -0.522 1.518 -1.491 525 HG13 VAL 74 HG13 VAL 74 -0.145 3.183 -1.930 526 HG21 VAL 74 HG21 VAL 74 0.300 4.267 1.641 527 HG22 VAL 74 HG22 VAL 74 -0.975 4.530 0.454 528 HG23 VAL 74 HG23 VAL 74 0.710 4.803 0.013 529 H ASN 75 H ASN 75 -0.803 2.804 3.482 530 HA ASN 75 HA ASN 75 -3.727 2.962 3.380 531 HB2 ASN 75 HB3 ASN 75 -1.952 2.626 5.417 532 HB3 ASN 75 HB2 ASN 75 -2.209 4.364 5.529 533 HD21 ASN 75 HD21 ASN 75 -3.690 4.625 7.219 534 HD22 ASN 75 HD22 ASN 75 -5.154 3.777 7.359 535 H LEU 76 H LEU 76 -4.266 4.507 1.802 536 HA LEU 76 HA LEU 76 -2.898 7.016 1.488 537 HB2 LEU 76 HB3 LEU 76 -5.781 6.467 0.759 538 HB3 LEU 76 HB2 LEU 76 -4.663 7.581 -0.020 539 HG LEU 76 HG LEU 76 -3.538 4.901 0.022 540 HD11 LEU 76 HD11 LEU 76 -5.984 4.301 0.053 541 HD12 LEU 76 HD12 LEU 76 -5.107 3.737 -1.364 542 HD13 LEU 76 HD13 LEU 76 -6.147 5.153 -1.481 543 HD21 LEU 76 HD21 LEU 76 -3.114 6.982 -1.511 544 HD22 LEU 76 HD22 LEU 76 -4.462 6.337 -2.445 545 HD23 LEU 76 HD23 LEU 76 -3.018 5.365 -2.203 546 H THR 77 H THR 77 -4.361 6.002 4.131 547 HA THR 77 HA THR 77 -5.927 8.432 4.750 548 HB THR 77 HB THR 77 -5.242 6.035 6.474 549 HG1 THR 77 HG1 THR 77 -6.740 5.088 5.400 550 HG21 THR 77 HG21 THR 77 -5.831 7.916 7.849 551 HG22 THR 77 HG22 THR 77 -7.248 6.870 7.768 552 HG23 THR 77 HG23 THR 77 -7.177 8.337 6.793 553 H THR 78 H THR 78 -2.947 6.781 5.684 554 HA THR 78 HA THR 78 -2.099 9.260 7.132 555 HB THR 78 HB THR 78 -1.103 6.440 7.590 556 HG1 THR 78 HG1 THR 78 -3.111 6.401 8.367 557 HG21 THR 78 HG21 THR 78 -0.710 9.074 9.027 558 HG22 THR 78 HG22 THR 78 0.527 8.063 8.279 559 HG23 THR 78 HG23 THR 78 -0.295 7.514 9.739 560 H PHE 79 H PHE 79 -1.407 7.176 4.502 561 HA PHE 79 HA PHE 79 0.202 7.463 2.808 562 HB2 PHE 79 HB3 PHE 79 1.705 9.471 4.468 563 HB3 PHE 79 HB2 PHE 79 1.536 9.377 2.718 564 HD1 PHE 79 HD1 PHE 79 -1.248 9.188 2.164 565 HD2 PHE 79 HD2 PHE 79 0.693 11.417 5.281 566 HE1 PHE 79 HE1 PHE 79 -3.176 10.746 2.252 567 HE2 PHE 79 HE2 PHE 79 -1.235 12.974 5.368 568 HZ PHE 79 HZ PHE 79 -3.169 12.638 3.853 569 H ARG 80 H ARG 80 0.476 5.329 4.332 570 HA ARG 80 HA ARG 80 3.413 5.041 4.591 571 HB2 ARG 80 HB3 ARG 80 2.580 3.469 6.673 572 HB3 ARG 80 HB2 ARG 80 3.240 5.087 6.870 573 HG2 ARG 80 HG3 ARG 80 1.151 6.037 7.257 574 HG3 ARG 80 HG2 ARG 80 0.298 4.799 6.330 575 HD2 ARG 80 HD3 ARG 80 0.513 3.196 8.070 576 HD3 ARG 80 HD2 ARG 80 1.719 4.158 8.918 577 HE ARG 80 HE ARG 80 -0.048 5.652 9.657 578 HH11 ARG 80 HH11 ARG 80 -2.188 5.787 10.355 579 HH12 ARG 80 HH12 ARG 80 -3.354 4.649 9.767 580 HH21 ARG 80 HH21 ARG 80 -1.093 2.943 7.775 581 HH22 ARG 80 HH22 ARG 80 -2.735 3.044 8.312 582 H LEU 81 H LEU 81 3.693 2.465 5.072 583 HA LEU 81 HA LEU 81 1.830 1.130 3.155 584 HB2 LEU 81 HB3 LEU 81 4.761 1.081 3.460 585 HB3 LEU 81 HB2 LEU 81 4.025 -0.466 3.095 586 HG LEU 81 HG LEU 81 3.120 1.883 1.510 587 HD11 LEU 81 HD11 LEU 81 5.829 0.592 1.094 588 HD12 LEU 81 HD12 LEU 81 5.548 2.254 1.613 589 HD13 LEU 81 HD13 LEU 81 5.064 1.743 -0.003 590 HD21 LEU 81 HD21 LEU 81 2.829 -0.899 1.357 591 HD22 LEU 81 HD22 LEU 81 3.992 -0.527 0.091 592 HD23 LEU 81 HD23 LEU 81 2.413 0.256 0.094 593 H TRP 82 H TRP 82 2.026 -1.356 3.482 594 HA TRP 82 HA TRP 82 2.281 -2.182 6.283 595 HB2 TRP 82 HB3 TRP 82 -0.070 -1.191 5.954 596 HB3 TRP 82 HB2 TRP 82 -0.378 -2.571 4.903 597 HD1 TRP 82 HD TRP 82 1.319 -2.229 8.377 598 HE1 TRP 82 HE1 TRP 82 0.321 -4.026 9.931 599 HE3 TRP 82 HE3 TRP 82 -2.045 -4.382 5.192 600 HZ2 TRP 82 HZ2 TRP 82 -1.645 -6.100 9.840 601 HZ3 TRP 82 HZ3 TRP 82 -3.467 -6.264 5.953 602 HH2 TRP 82 HH2 TRP 82 -3.271 -7.125 8.271 603 H CYS 83 H CYS 83 3.521 -3.960 5.935 604 HA CYS 83 HA CYS 83 3.100 -5.569 3.497 605 HB2 CYS 83 HB3 CYS 83 5.367 -4.795 4.765 606 HB3 CYS 83 HB2 CYS 83 5.120 -6.372 5.509 607 H TYR 84 H TYR 84 1.533 -7.145 3.683 608 HA TYR 84 HA TYR 84 0.857 -8.286 6.280 609 HB2 TYR 84 HB3 TYR 84 -0.643 -8.158 4.127 610 HB3 TYR 84 HB2 TYR 84 0.231 -9.608 3.627 611 HD1 TYR 84 HD1 TYR 84 -1.444 -8.238 6.697 612 HD2 TYR 84 HD2 TYR 84 -0.690 -11.668 4.224 613 HE1 TYR 84 HE1 TYR 84 -2.894 -9.614 8.164 614 HE2 TYR 84 HE2 TYR 84 -2.140 -13.045 5.691 615 HH TYR 84 HH TYR 84 -3.106 -12.083 8.742 616 H ALA 85 H ALA 85 3.531 -8.470 4.472 617 HA ALA 85 HA ALA 85 4.079 -11.338 4.999 618 HB1 ALA 85 HB1 ALA 85 4.749 -10.788 2.782 619 HB2 ALA 85 HB2 ALA 85 6.241 -10.770 3.718 620 HB3 ALA 85 HB3 ALA 85 5.450 -9.252 3.293 621 H CYS 86 H CYS 86 6.036 -8.320 5.142 622 HA CYS 86 HA CYS 86 7.564 -9.231 7.401 623 HB2 CYS 86 HB3 CYS 86 7.002 -6.360 6.562 624 HB3 CYS 86 HB2 CYS 86 8.354 -6.925 7.539 625 H GLU 87 H GLU 87 4.423 -8.228 6.884 626 HA GLU 87 HA GLU 87 2.654 -7.571 8.262 627 HB2 GLU 87 HB3 GLU 87 4.059 -9.806 9.352 628 HB3 GLU 87 HB2 GLU 87 3.484 -8.815 10.680 629 HG2 GLU 87 HG3 GLU 87 1.713 -9.642 8.377 630 HG3 GLU 87 HG2 GLU 87 1.849 -10.578 9.864 631 H LYS 88 H LYS 88 3.944 -5.415 8.056 632 HA LYS 88 HA LYS 88 3.894 -4.180 10.705 633 HB2 LYS 88 HB3 LYS 88 6.257 -3.196 10.304 634 HB3 LYS 88 HB2 LYS 88 6.160 -4.859 10.886 635 HG2 LYS 88 HG3 LYS 88 6.509 -5.733 8.675 636 HG3 LYS 88 HG2 LYS 88 6.351 -4.137 7.952 637 HD2 LYS 88 HD3 LYS 88 8.708 -4.645 8.069 638 HD3 LYS 88 HD2 LYS 88 8.369 -3.422 9.294 639 HE2 LYS 88 HE3 LYS 88 8.237 -6.335 10.035 640 HE3 LYS 88 HE2 LYS 88 9.801 -5.530 9.936 641 HZ1 LYS 88 HZ1 LYS 88 9.426 -4.501 11.846 642 HZ2 LYS 88 HZ2 LYS 88 8.037 -5.460 12.045 643 HZ3 LYS 88 HZ3 LYS 88 7.918 -3.925 11.327 644 H GLU 89 H GLU 89 4.858 -1.737 10.226 645 HA GLU 89 HA GLU 89 3.450 -0.856 7.732 646 HB2 GLU 89 HB3 GLU 89 3.056 -0.098 10.410 647 HB3 GLU 89 HB2 GLU 89 3.956 1.242 9.705 648 HG2 GLU 89 HG3 GLU 89 2.291 1.681 8.101 649 HG3 GLU 89 HG2 GLU 89 1.569 0.081 8.269 650 H VAL 90 H VAL 90 4.576 0.589 6.321 651 HA VAL 90 HA VAL 90 7.238 1.538 7.235 652 HB VAL 90 HB VAL 90 7.946 0.578 4.765 653 HG11 VAL 90 HG11 VAL 90 8.065 -0.947 7.385 654 HG12 VAL 90 HG12 VAL 90 9.191 0.318 6.891 655 HG13 VAL 90 HG13 VAL 90 9.117 -1.198 5.992 656 HG21 VAL 90 HG21 VAL 90 5.611 -0.564 4.789 657 HG22 VAL 90 HG22 VAL 90 6.313 -1.651 5.984 658 HG23 VAL 90 HG23 VAL 90 7.006 -1.553 4.366 659 H PHE 91 H PHE 91 7.958 3.338 6.117 660 HA PHE 91 HA PHE 91 5.979 4.624 4.294 661 HB2 PHE 91 HB3 PHE 91 8.333 5.790 5.810 662 HB3 PHE 91 HB2 PHE 91 7.236 6.704 4.781 663 HD1 PHE 91 HD1 PHE 91 5.356 7.715 5.744 664 HD2 PHE 91 HD2 PHE 91 7.163 4.346 7.704 665 HE1 PHE 91 HE1 PHE 91 3.789 7.981 7.648 666 HE2 PHE 91 HE2 PHE 91 5.595 4.613 9.607 667 HZ PHE 91 HZ PHE 91 3.909 6.431 9.579 668 H LEU 92 H LEU 92 7.078 6.017 2.549 669 HA LEU 92 HA LEU 92 8.593 4.482 0.783 670 HB2 LEU 92 HB3 LEU 92 9.010 7.466 1.087 671 HB3 LEU 92 HB2 LEU 92 9.094 6.502 -0.388 672 HG LEU 92 HG LEU 92 6.616 7.147 1.234 673 HD11 LEU 92 HD11 LEU 92 7.263 7.685 -1.677 674 HD12 LEU 92 HD12 LEU 92 7.538 8.860 -0.390 675 HD13 LEU 92 HD13 LEU 92 5.900 8.311 -0.750 676 HD21 LEU 92 HD21 LEU 92 7.094 5.179 -1.014 677 HD22 LEU 92 HD22 LEU 92 5.496 5.854 -0.698 678 HD23 LEU 92 HD23 LEU 92 6.307 4.893 0.538 679 H GLU 93 H GLU 93 10.800 4.177 0.515 680 HA GLU 93 HA GLU 93 12.462 3.861 2.712 681 HB2 GLU 93 HB3 GLU 93 14.373 4.073 0.994 682 HB3 GLU 93 HB2 GLU 93 13.145 2.842 0.693 683 HG2 GLU 93 HG3 GLU 93 11.934 4.504 -0.764 684 HG3 GLU 93 HG2 GLU 93 13.308 5.592 -0.568 685 H GLN 94 H GLN 94 11.300 6.811 1.823 686 HA GLN 94 HA GLN 94 11.906 8.997 2.398 687 HB2 GLN 94 HB3 GLN 94 14.108 7.811 4.088 688 HB3 GLN 94 HB2 GLN 94 13.191 9.292 4.362 689 HG2 GLN 94 HG3 GLN 94 11.117 7.800 4.550 690 HG3 GLN 94 HG2 GLN 94 12.236 6.440 4.650 691 HE21 GLN 94 HE21 GLN 94 13.058 5.975 6.704 692 HE22 GLN 94 HE22 GLN 94 12.980 7.026 8.036 693 H ARG 95 H ARG 95 14.321 6.809 1.179 694 HA ARG 95 HA ARG 95 16.557 8.425 0.825 695 HB2 ARG 95 HB3 ARG 95 17.242 6.887 -0.757 696 HB3 ARG 95 HB2 ARG 95 15.917 5.976 -0.047 697 HG2 ARG 95 HG3 ARG 95 15.480 5.795 -2.340 698 HG3 ARG 95 HG2 ARG 95 14.442 7.132 -1.862 699 HD2 ARG 95 HD3 ARG 95 15.461 8.362 -3.469 700 HD3 ARG 95 HD2 ARG 95 16.919 8.329 -2.478 701 HE ARG 95 HE ARG 95 17.826 6.710 -3.946 702 HH11 ARG 95 HH11 ARG 95 17.752 5.464 -5.831 703 HH12 ARG 95 HH12 ARG 95 16.241 5.246 -6.651 704 HH21 ARG 95 HH21 ARG 95 14.437 7.159 -4.391 705 HH22 ARG 95 HH22 ARG 95 14.365 6.206 -5.835 706 H LEU 96 H LEU 96 13.472 8.586 -0.823 707 HA LEU 96 HA LEU 96 14.472 10.767 -2.581 708 HB2 LEU 96 HB3 LEU 96 12.203 10.593 -3.635 709 HB3 LEU 96 HB2 LEU 96 13.132 9.099 -3.712 710 HG LEU 96 HG LEU 96 11.829 8.729 -1.338 711 HD11 LEU 96 HD11 LEU 96 9.965 10.315 -3.134 712 HD12 LEU 96 HD12 LEU 96 10.525 10.790 -1.530 713 HD13 LEU 96 HD13 LEU 96 9.458 9.399 -1.715 714 HD21 LEU 96 HD21 LEU 96 10.169 7.392 -2.723 715 HD22 LEU 96 HD22 LEU 96 11.867 7.060 -3.065 716 HD23 LEU 96 HD23 LEU 96 10.931 8.080 -4.158 717 H ALA 97 H ALA 97 12.672 12.577 -2.840 718 HA ALA 97 HA ALA 97 11.237 13.225 -0.376 719 HB1 ALA 97 HB1 ALA 97 12.510 15.392 -0.064 720 HB2 ALA 97 HB2 ALA 97 13.722 14.760 -1.178 721 HB3 ALA 97 HB3 ALA 97 13.419 13.940 0.353 722 H ALA 98 H ALA 98 10.769 15.887 -0.729 723 HA ALA 98 HA ALA 98 9.364 17.294 -1.984 724 HB1 ALA 98 HB1 ALA 98 10.156 17.746 -4.271 725 HB2 ALA 98 HB2 ALA 98 11.163 16.299 -4.217 726 HB3 ALA 98 HB3 ALA 98 11.516 17.661 -3.152 727 HA PRO 99 HA PRO 99 6.931 13.406 -3.161 728 HB2 PRO 99 HB3 PRO 99 4.900 15.261 -1.968 729 HB3 PRO 99 HB2 PRO 99 5.071 13.505 -1.778 730 HG2 PRO 99 HG3 PRO 99 5.836 15.189 0.139 731 HG3 PRO 99 HG2 PRO 99 6.734 13.700 -0.203 732 HD2 PRO 99 HD3 PRO 99 7.476 16.522 -0.815 733 HD3 PRO 99 HD2 PRO 99 8.524 15.119 -0.515 Start of MODEL 12 1 H1 MET 1 H1 MET 1 17.270 -6.870 -2.565 2 HA MET 1 HA MET 1 19.271 -6.017 -1.575 3 HB2 MET 1 HB3 MET 1 20.342 -4.015 -2.459 4 HB3 MET 1 HB2 MET 1 20.251 -5.224 -3.740 5 HG2 MET 1 HG3 MET 1 17.986 -4.066 -4.338 6 HG3 MET 1 HG2 MET 1 18.620 -2.718 -3.393 7 HE1 MET 1 HE1 MET 1 20.762 -1.674 -3.645 8 HE2 MET 1 HE2 MET 1 21.768 -1.603 -5.091 9 HE3 MET 1 HE3 MET 1 21.871 -3.000 -4.024 10 H GLY 2 H GLY 2 19.343 -3.529 -0.632 11 HA2 GLY 2 HA3 GLY 2 17.035 -1.943 -0.549 12 HA3 GLY 2 HA2 GLY 2 16.790 -3.198 0.666 13 H ASP 3 H ASP 3 18.649 -3.465 2.253 14 HA ASP 3 HA ASP 3 19.970 -2.499 3.934 15 HB2 ASP 3 HB3 ASP 3 20.849 -0.540 1.804 16 HB3 ASP 3 HB2 ASP 3 21.765 -1.107 3.201 17 H SER 4 H SER 4 18.046 -1.683 5.024 18 HA SER 4 HA SER 4 18.133 1.052 5.699 19 HB2 SER 4 HB3 SER 4 16.676 0.493 3.229 20 HB3 SER 4 HB2 SER 4 15.664 1.294 4.428 21 HG SER 4 HG SER 4 17.634 2.708 4.666 22 H ARG 5 H ARG 5 16.080 1.705 6.937 23 HA ARG 5 HA ARG 5 14.985 -0.730 8.276 24 HB2 ARG 5 HB3 ARG 5 14.388 1.842 9.553 25 HB3 ARG 5 HB2 ARG 5 15.165 0.411 10.230 26 HG2 ARG 5 HG3 ARG 5 17.284 1.067 9.084 27 HG3 ARG 5 HG2 ARG 5 16.494 2.546 8.537 28 HD2 ARG 5 HD3 ARG 5 17.296 1.747 11.318 29 HD3 ARG 5 HD2 ARG 5 17.536 3.282 10.488 30 HE ARG 5 HE ARG 5 15.262 3.887 11.005 31 HH11 ARG 5 HH11 ARG 5 13.506 3.680 12.405 32 HH12 ARG 5 HH12 ARG 5 13.326 2.235 13.345 33 HH21 ARG 5 HH21 ARG 5 16.186 0.737 12.092 34 HH22 ARG 5 HH22 ARG 5 14.841 0.576 13.168 35 H ASP 6 H ASP 6 14.060 2.344 6.777 36 HA ASP 6 HA ASP 6 11.211 1.943 7.195 37 HB2 ASP 6 HB3 ASP 6 12.745 4.102 6.538 38 HB3 ASP 6 HB2 ASP 6 12.103 3.678 4.954 39 H LEU 7 H LEU 7 13.535 1.070 4.716 40 HA LEU 7 HA LEU 7 11.515 0.398 2.742 41 HB2 LEU 7 HB3 LEU 7 13.275 0.083 1.325 42 HB3 LEU 7 HB2 LEU 7 14.183 0.900 2.587 43 HG LEU 7 HG LEU 7 15.434 -1.038 1.995 44 HD11 LEU 7 HD11 LEU 7 14.384 -0.727 4.609 45 HD12 LEU 7 HD12 LEU 7 15.890 -1.500 4.129 46 HD13 LEU 7 HD13 LEU 7 14.423 -2.459 4.281 47 HD21 LEU 7 HD21 LEU 7 12.970 -2.157 1.302 48 HD22 LEU 7 HD22 LEU 7 13.530 -3.150 2.647 49 HD23 LEU 7 HD23 LEU 7 14.540 -2.950 1.219 50 H CYS 8 H CYS 8 11.032 -1.811 2.024 51 HA CYS 8 HA CYS 8 11.355 -3.837 4.205 52 HB2 CYS 8 HB3 CYS 8 9.101 -3.927 4.366 53 HB3 CYS 8 HB2 CYS 8 8.930 -2.736 3.082 54 HA PRO 9 HA PRO 9 13.125 -6.679 1.345 55 HB2 PRO 9 HB3 PRO 9 11.525 -8.934 1.728 56 HB3 PRO 9 HB2 PRO 9 12.856 -8.451 2.786 57 HG2 PRO 9 HG3 PRO 9 9.951 -7.915 3.074 58 HG3 PRO 9 HG2 PRO 9 11.090 -8.457 4.309 59 HD2 PRO 9 HD3 PRO 9 10.369 -5.902 4.240 60 HD3 PRO 9 HD2 PRO 9 12.086 -6.305 4.484 61 H HIS 10 H HIS 10 9.605 -7.197 1.324 62 HA HIS 10 HA HIS 10 9.550 -7.769 -1.535 63 HB2 HIS 10 HB3 HIS 10 7.064 -7.013 -0.004 64 HB3 HIS 10 HB2 HIS 10 7.286 -8.242 -1.248 65 HD2 HIS 10 HD2 HIS 10 8.125 -10.751 -0.321 66 HE1 HIS 10 HE1 HIS 10 8.303 -9.747 3.773 67 HE2 HIS 10 HE2 HIS 10 8.429 -11.647 2.105 68 H LEU 11 H LEU 11 10.038 -4.978 0.092 69 HA LEU 11 HA LEU 11 8.286 -3.165 -1.314 70 HB2 LEU 11 HB3 LEU 11 9.541 -2.776 0.890 71 HB3 LEU 11 HB2 LEU 11 10.958 -2.468 -0.104 72 HG LEU 11 HG LEU 11 8.503 -1.018 -0.928 73 HD11 LEU 11 HD11 LEU 11 9.776 -0.642 1.764 74 HD12 LEU 11 HD12 LEU 11 8.071 -0.603 1.326 75 HD13 LEU 11 HD13 LEU 11 9.120 0.749 0.903 76 HD21 LEU 11 HD21 LEU 11 10.905 -0.800 -1.836 77 HD22 LEU 11 HD22 LEU 11 11.263 0.061 -0.339 78 HD23 LEU 11 HD23 LEU 11 10.058 0.700 -1.457 79 H ASP 12 H ASP 12 11.315 -4.692 -2.057 80 HA ASP 12 HA ASP 12 11.891 -2.834 -4.279 81 HB2 ASP 12 HB3 ASP 12 13.708 -3.890 -2.880 82 HB3 ASP 12 HB2 ASP 12 13.256 -5.448 -3.577 83 H SER 13 H SER 13 10.252 -5.826 -3.719 84 HA SER 13 HA SER 13 10.403 -6.741 -6.497 85 HB2 SER 13 HB3 SER 13 10.158 -8.243 -4.450 86 HB3 SER 13 HB2 SER 13 8.488 -7.690 -4.356 87 HG SER 13 HG SER 13 8.356 -8.376 -6.624 88 H ILE 14 H ILE 14 8.349 -4.628 -4.664 89 HA ILE 14 HA ILE 14 6.081 -4.892 -6.541 90 HB ILE 14 HB ILE 14 5.136 -3.027 -5.140 91 HG12 ILE 14 HG13 ILE 14 7.449 -3.508 -3.285 92 HG13 ILE 14 HG12 ILE 14 7.572 -2.278 -4.536 93 HG21 ILE 14 HG21 ILE 14 4.594 -4.468 -3.333 94 HG22 ILE 14 HG22 ILE 14 6.162 -5.271 -3.399 95 HG23 ILE 14 HG23 ILE 14 4.968 -5.570 -4.657 96 HD11 ILE 14 HD11 ILE 14 5.841 -0.990 -3.629 97 HD12 ILE 14 HD12 ILE 14 6.665 -1.583 -2.188 98 HD13 ILE 14 HD13 ILE 14 5.170 -2.347 -2.725 99 H GLY 15 H GLY 15 8.987 -3.061 -6.335 100 HA2 GLY 15 HA3 GLY 15 9.751 -1.182 -7.530 101 HA3 GLY 15 HA2 GLY 15 8.694 -1.773 -8.813 102 H GLU 16 H GLU 16 8.724 0.823 -8.909 103 HA GLU 16 HA GLU 16 6.635 1.936 -7.108 104 HB2 GLU 16 HB3 GLU 16 8.481 3.414 -7.274 105 HB3 GLU 16 HB2 GLU 16 8.626 3.178 -9.014 106 HG2 GLU 16 HG3 GLU 16 6.052 4.299 -7.954 107 HG3 GLU 16 HG2 GLU 16 7.454 5.367 -8.013 108 H VAL 17 H VAL 17 4.604 2.391 -7.829 109 HA VAL 17 HA VAL 17 3.957 1.694 -10.651 110 HB VAL 17 HB VAL 17 1.567 1.853 -9.774 111 HG11 VAL 17 HG11 VAL 17 1.670 -0.326 -8.696 112 HG12 VAL 17 HG12 VAL 17 3.382 -0.103 -8.333 113 HG13 VAL 17 HG13 VAL 17 2.852 -0.285 -10.005 114 HG21 VAL 17 HG21 VAL 17 1.223 1.930 -7.390 115 HG22 VAL 17 HG22 VAL 17 2.254 3.300 -7.803 116 HG23 VAL 17 HG23 VAL 17 2.958 1.854 -7.081 117 H THR 18 H THR 18 1.742 3.259 -11.137 118 HA THR 18 HA THR 18 2.920 5.821 -11.708 119 HB THR 18 HB THR 18 0.109 6.134 -11.760 120 HG1 THR 18 HG1 THR 18 0.892 3.589 -12.729 121 HG21 THR 18 HG21 THR 18 2.054 5.271 -13.920 122 HG22 THR 18 HG22 THR 18 1.657 6.931 -13.477 123 HG23 THR 18 HG23 THR 18 0.432 5.898 -14.213 124 H LYS 19 H LYS 19 3.030 7.612 -10.444 125 HA LYS 19 HA LYS 19 2.433 7.510 -7.660 126 HB2 LYS 19 HB3 LYS 19 2.340 10.239 -8.672 127 HB3 LYS 19 HB2 LYS 19 3.568 9.475 -7.662 128 HG2 LYS 19 HG3 LYS 19 4.225 8.316 -9.984 129 HG3 LYS 19 HG2 LYS 19 3.468 9.765 -10.638 130 HD2 LYS 19 HD3 LYS 19 5.638 10.538 -10.378 131 HD3 LYS 19 HD2 LYS 19 4.993 10.951 -8.790 132 HE2 LYS 19 HE3 LYS 19 5.778 8.610 -8.048 133 HE3 LYS 19 HE2 LYS 19 6.705 8.576 -9.547 134 HZ1 LYS 19 HZ1 LYS 19 8.260 9.676 -8.430 135 HZ2 LYS 19 HZ2 LYS 19 7.221 10.003 -7.126 136 HZ3 LYS 19 HZ3 LYS 19 7.239 11.029 -8.480 137 H GLU 20 H GLU 20 0.774 9.264 -10.272 138 HA GLU 20 HA GLU 20 -1.486 10.151 -8.967 139 HB2 GLU 20 HB3 GLU 20 -1.328 10.717 -11.230 140 HB3 GLU 20 HB2 GLU 20 -1.063 9.044 -11.715 141 HG2 GLU 20 HG3 GLU 20 -3.626 9.263 -10.382 142 HG3 GLU 20 HG2 GLU 20 -3.528 10.467 -11.662 143 H ASP 21 H ASP 21 -0.670 6.885 -10.009 144 HA ASP 21 HA ASP 21 -3.138 5.592 -9.565 145 HB2 ASP 21 HB3 ASP 21 -0.764 4.638 -10.272 146 HB3 ASP 21 HB2 ASP 21 -0.626 4.286 -8.553 147 H LEU 22 H LEU 22 -0.651 6.589 -7.261 148 HA LEU 22 HA LEU 22 -2.087 5.553 -4.956 149 HB2 LEU 22 HB3 LEU 22 -0.040 7.749 -4.785 150 HB3 LEU 22 HB2 LEU 22 -0.335 6.422 -3.661 151 HG LEU 22 HG LEU 22 0.898 6.207 -6.422 152 HD11 LEU 22 HD11 LEU 22 2.483 7.026 -4.792 153 HD12 LEU 22 HD12 LEU 22 2.832 5.319 -5.064 154 HD13 LEU 22 HD13 LEU 22 1.966 5.821 -3.612 155 HD21 LEU 22 HD21 LEU 22 1.197 3.784 -5.733 156 HD22 LEU 22 HD22 LEU 22 -0.469 4.251 -6.068 157 HD23 LEU 22 HD23 LEU 22 0.085 4.099 -4.400 158 H LEU 23 H LEU 23 -2.174 8.362 -6.893 159 HA LEU 23 HA LEU 23 -3.503 10.055 -4.914 160 HB2 LEU 23 HB3 LEU 23 -3.287 10.364 -7.929 161 HB3 LEU 23 HB2 LEU 23 -3.662 11.638 -6.789 162 HG LEU 23 HG LEU 23 -1.040 10.125 -7.050 163 HD11 LEU 23 HD11 LEU 23 -1.843 12.318 -8.420 164 HD12 LEU 23 HD12 LEU 23 -0.172 12.086 -7.907 165 HD13 LEU 23 HD13 LEU 23 -1.250 13.112 -6.961 166 HD21 LEU 23 HD21 LEU 23 -0.379 11.803 -5.160 167 HD22 LEU 23 HD22 LEU 23 -1.260 10.345 -4.711 168 HD23 LEU 23 HD23 LEU 23 -2.110 11.886 -4.835 169 H LEU 24 H LEU 24 -4.595 8.482 -7.990 170 HA LEU 24 HA LEU 24 -7.353 9.031 -7.477 171 HB2 LEU 24 HB3 LEU 24 -7.878 7.248 -9.066 172 HB3 LEU 24 HB2 LEU 24 -6.590 8.276 -9.704 173 HG LEU 24 HG LEU 24 -5.117 6.375 -8.406 174 HD11 LEU 24 HD11 LEU 24 -6.073 4.194 -8.782 175 HD12 LEU 24 HD12 LEU 24 -7.445 4.881 -9.648 176 HD13 LEU 24 HD13 LEU 24 -7.286 5.130 -7.911 177 HD21 LEU 24 HD21 LEU 24 -6.189 6.525 -11.228 178 HD22 LEU 24 HD22 LEU 24 -5.035 5.278 -10.757 179 HD23 LEU 24 HD23 LEU 24 -4.592 6.981 -10.637 180 H LYS 25 H LYS 25 -5.271 6.238 -6.638 181 HA LYS 25 HA LYS 25 -7.204 4.593 -5.442 182 HB2 LYS 25 HB3 LYS 25 -4.338 5.205 -4.698 183 HB3 LYS 25 HB2 LYS 25 -5.300 4.084 -3.737 184 HG2 LYS 25 HG3 LYS 25 -5.585 2.588 -5.561 185 HG3 LYS 25 HG2 LYS 25 -5.064 3.792 -6.735 186 HD2 LYS 25 HD3 LYS 25 -2.788 3.643 -6.021 187 HD3 LYS 25 HD2 LYS 25 -3.228 2.754 -4.567 188 HE2 LYS 25 HE3 LYS 25 -3.971 0.852 -5.949 189 HE3 LYS 25 HE2 LYS 25 -3.553 1.747 -7.409 190 HZ1 LYS 25 HZ1 LYS 25 -1.455 1.125 -7.196 191 HZ2 LYS 25 HZ2 LYS 25 -1.888 0.152 -5.872 192 HZ3 LYS 25 HZ3 LYS 25 -1.369 1.750 -5.622 193 H SER 26 H SER 26 -5.534 7.423 -4.128 194 HA SER 26 HA SER 26 -6.915 7.457 -1.592 195 HB2 SER 26 HB3 SER 26 -4.704 8.682 -2.394 196 HB3 SER 26 HB2 SER 26 -5.818 9.928 -2.920 197 HG SER 26 HG SER 26 -6.698 9.501 -0.622 198 H LYS 27 H LYS 27 -8.304 7.560 -4.476 199 HA LYS 27 HA LYS 27 -9.665 9.948 -4.828 200 HB2 LYS 27 HB3 LYS 27 -11.654 8.419 -5.589 201 HB3 LYS 27 HB2 LYS 27 -10.143 8.401 -6.491 202 HG2 LYS 27 HG3 LYS 27 -9.637 6.263 -5.877 203 HG3 LYS 27 HG2 LYS 27 -10.279 6.469 -4.240 204 HD2 LYS 27 HD3 LYS 27 -11.676 4.883 -5.450 205 HD3 LYS 27 HD2 LYS 27 -12.594 6.371 -5.214 206 HE2 LYS 27 HE3 LYS 27 -12.003 7.110 -7.488 207 HE3 LYS 27 HE2 LYS 27 -11.056 5.642 -7.726 208 HZ1 LYS 27 HZ1 LYS 27 -13.442 4.684 -6.908 209 HZ2 LYS 27 HZ2 LYS 27 -12.948 4.808 -8.529 210 HZ3 LYS 27 HZ3 LYS 27 -13.907 6.026 -7.835 211 H GLY 28 H GLY 28 -10.768 7.287 -2.628 212 HA2 GLY 28 HA3 GLY 28 -11.516 8.545 -0.443 213 HA3 GLY 28 HA2 GLY 28 -12.715 9.242 -1.517 214 H THR 29 H THR 29 -12.001 6.049 -2.433 215 HA THR 29 HA THR 29 -13.854 4.816 -0.539 216 HB THR 29 HB THR 29 -15.106 4.251 -2.976 217 HG1 THR 29 HG1 THR 29 -14.248 5.964 -4.006 218 HG21 THR 29 HG21 THR 29 -17.010 5.330 -1.993 219 HG22 THR 29 HG22 THR 29 -15.981 6.334 -0.973 220 HG23 THR 29 HG23 THR 29 -16.100 4.602 -0.669 221 H CYS 30 H CYS 30 -13.892 2.542 -0.703 222 HA CYS 30 HA CYS 30 -11.582 1.254 -1.853 223 HB2 CYS 30 HB3 CYS 30 -12.686 0.280 0.107 224 HB3 CYS 30 HB2 CYS 30 -14.192 0.110 -0.790 225 H GLN 31 H GLN 31 -11.384 0.328 -3.912 226 HA GLN 31 HA GLN 31 -13.489 0.926 -5.830 227 HB2 GLN 31 HB3 GLN 31 -12.042 -0.176 -7.471 228 HB3 GLN 31 HB2 GLN 31 -11.122 0.972 -6.507 229 HG2 GLN 31 HG3 GLN 31 -9.744 -0.939 -6.546 230 HG3 GLN 31 HG2 GLN 31 -10.567 -1.068 -4.996 231 HE21 GLN 31 HE21 GLN 31 -10.018 -3.481 -5.345 232 HE22 GLN 31 HE22 GLN 31 -11.119 -4.409 -6.244 233 H SER 32 H SER 32 -13.073 -1.541 -3.615 234 HA SER 32 HA SER 32 -14.694 -3.442 -5.268 235 HB2 SER 32 HB3 SER 32 -12.478 -4.285 -4.472 236 HB3 SER 32 HB2 SER 32 -13.012 -4.023 -2.816 237 HG SER 32 HG SER 32 -14.112 -5.767 -4.766 238 H CYS 33 H CYS 33 -14.640 -1.435 -2.454 239 HA CYS 33 HA CYS 33 -17.298 -2.558 -1.643 240 HB2 CYS 33 HB3 CYS 33 -15.213 -1.374 0.213 241 HB3 CYS 33 HB2 CYS 33 -16.753 -2.078 0.682 242 H GLY 34 H GLY 34 -15.356 0.260 -2.349 243 HA2 GLY 34 HA3 GLY 34 -15.943 2.535 -2.396 244 HA3 GLY 34 HA2 GLY 34 -17.566 1.961 -2.782 245 H VAL 35 H VAL 35 -15.382 2.205 0.025 246 HA VAL 35 HA VAL 35 -17.771 2.645 1.747 247 HB VAL 35 HB VAL 35 -16.148 2.049 3.616 248 HG11 VAL 35 HG11 VAL 35 -17.304 0.130 3.277 249 HG12 VAL 35 HG12 VAL 35 -15.952 -0.410 2.285 250 HG13 VAL 35 HG13 VAL 35 -17.339 0.369 1.532 251 HG21 VAL 35 HG21 VAL 35 -14.426 1.051 1.337 252 HG22 VAL 35 HG22 VAL 35 -14.035 1.103 3.055 253 HG23 VAL 35 HG23 VAL 35 -14.125 2.597 2.128 254 H THR 36 H THR 36 -14.499 4.047 1.120 255 HA THR 36 HA THR 36 -15.241 6.704 1.389 256 HB THR 36 HB THR 36 -16.067 6.571 3.581 257 HG1 THR 36 HG1 THR 36 -13.397 6.940 4.301 258 HG21 THR 36 HG21 THR 36 -14.330 5.299 5.267 259 HG22 THR 36 HG22 THR 36 -14.118 4.351 3.797 260 HG23 THR 36 HG23 THR 36 -15.719 4.515 4.519 261 H GLY 37 H GLY 37 -13.267 8.037 2.498 262 HA2 GLY 37 HA3 GLY 37 -10.856 6.997 1.144 263 HA3 GLY 37 HA2 GLY 37 -11.096 8.642 1.690 264 HA PRO 38 HA PRO 38 -8.991 8.281 5.469 265 HB2 PRO 38 HB3 PRO 38 -11.173 8.007 7.329 266 HB3 PRO 38 HB2 PRO 38 -10.163 9.425 7.014 267 HG2 PRO 38 HG3 PRO 38 -12.856 8.820 6.057 268 HG3 PRO 38 HG2 PRO 38 -11.995 10.366 6.085 269 HD2 PRO 38 HD3 PRO 38 -12.535 8.969 3.775 270 HD3 PRO 38 HD2 PRO 38 -11.166 10.089 3.945 271 H ASN 39 H ASN 39 -7.974 6.556 6.216 272 HA ASN 39 HA ASN 39 -7.582 4.426 7.099 273 HB2 ASN 39 HB3 ASN 39 -10.124 5.002 8.038 274 HB3 ASN 39 HB2 ASN 39 -10.361 3.489 7.165 275 HD21 ASN 39 HD21 ASN 39 -9.511 1.568 8.100 276 HD22 ASN 39 HD22 ASN 39 -8.654 1.543 9.565 277 H LEU 40 H LEU 40 -8.048 5.068 4.176 278 HA LEU 40 HA LEU 40 -9.181 2.572 3.124 279 HB2 LEU 40 HB3 LEU 40 -8.035 5.067 1.937 280 HB3 LEU 40 HB2 LEU 40 -7.964 3.612 0.957 281 HG LEU 40 HG LEU 40 -10.439 4.974 2.061 282 HD11 LEU 40 HD11 LEU 40 -10.991 5.254 -0.274 283 HD12 LEU 40 HD12 LEU 40 -9.670 4.206 -0.763 284 HD13 LEU 40 HD13 LEU 40 -9.322 5.785 -0.069 285 HD21 LEU 40 HD21 LEU 40 -11.165 2.776 2.269 286 HD22 LEU 40 HD22 LEU 40 -10.011 2.173 1.078 287 HD23 LEU 40 HD23 LEU 40 -11.470 3.006 0.549 288 H TRP 41 H TRP 41 -7.664 1.454 1.391 289 HA TRP 41 HA TRP 41 -4.833 1.430 2.051 290 HB2 TRP 41 HB3 TRP 41 -6.553 -0.247 3.580 291 HB3 TRP 41 HB2 TRP 41 -5.671 -1.293 2.472 292 HD1 TRP 41 HD TRP 41 -2.901 -0.009 2.316 293 HE1 TRP 41 HE1 TRP 41 -1.349 0.127 4.371 294 HE3 TRP 41 HE3 TRP 41 -6.343 -0.467 6.057 295 HZ2 TRP 41 HZ2 TRP 41 -1.545 0.050 7.226 296 HZ3 TRP 41 HZ3 TRP 41 -5.637 -0.434 8.430 297 HH2 TRP 41 HH2 TRP 41 -3.244 -0.176 9.019 298 H ALA 42 H ALA 42 -4.474 1.668 -0.155 299 HA ALA 42 HA ALA 42 -5.703 -0.270 -2.005 300 HB1 ALA 42 HB1 ALA 42 -5.633 2.080 -2.680 301 HB2 ALA 42 HB2 ALA 42 -4.623 1.118 -3.756 302 HB3 ALA 42 HB3 ALA 42 -3.880 2.099 -2.492 303 H CYS 43 H CYS 43 -4.568 -1.787 -3.165 304 HA CYS 43 HA CYS 43 -2.222 -2.934 -2.022 305 HB2 CYS 43 HB3 CYS 43 -3.974 -3.988 -3.608 306 HB3 CYS 43 HB2 CYS 43 -3.024 -3.277 -4.911 307 H LEU 44 H LEU 44 -0.033 -2.926 -2.850 308 HA LEU 44 HA LEU 44 0.575 -0.697 -4.744 309 HB2 LEU 44 HB3 LEU 44 0.916 -0.089 -2.293 310 HB3 LEU 44 HB2 LEU 44 2.201 -1.292 -2.268 311 HG LEU 44 HG LEU 44 3.036 0.027 -4.422 312 HD11 LEU 44 HD11 LEU 44 1.717 2.267 -2.888 313 HD12 LEU 44 HD12 LEU 44 0.929 1.502 -4.267 314 HD13 LEU 44 HD13 LEU 44 2.473 2.327 -4.479 315 HD21 LEU 44 HD21 LEU 44 4.480 1.362 -2.980 316 HD22 LEU 44 HD22 LEU 44 4.233 -0.216 -2.234 317 HD23 LEU 44 HD23 LEU 44 3.350 1.188 -1.637 318 H GLN 45 H GLN 45 0.493 -3.457 -5.498 319 HA GLN 45 HA GLN 45 3.335 -4.292 -5.471 320 HB2 GLN 45 HB3 GLN 45 1.177 -5.751 -6.968 321 HB3 GLN 45 HB2 GLN 45 2.660 -6.385 -6.250 322 HG2 GLN 45 HG3 GLN 45 0.954 -5.133 -4.234 323 HG3 GLN 45 HG2 GLN 45 0.113 -6.423 -5.091 324 HE21 GLN 45 HE21 GLN 45 1.713 -6.075 -2.320 325 HE22 GLN 45 HE22 GLN 45 2.570 -7.538 -2.238 326 H VAL 46 H VAL 46 4.573 -4.478 -7.330 327 HA VAL 46 HA VAL 46 4.629 -2.507 -9.218 328 HB VAL 46 HB VAL 46 6.306 -4.387 -8.911 329 HG11 VAL 46 HG11 VAL 46 6.020 -6.433 -10.077 330 HG12 VAL 46 HG12 VAL 46 4.648 -5.811 -10.994 331 HG13 VAL 46 HG13 VAL 46 4.474 -6.157 -9.274 332 HG21 VAL 46 HG21 VAL 46 5.499 -3.786 -11.773 333 HG22 VAL 46 HG22 VAL 46 7.109 -4.231 -11.205 334 HG23 VAL 46 HG23 VAL 46 6.409 -2.680 -10.744 335 H ALA 47 H ALA 47 2.239 -5.056 -9.184 336 HA ALA 47 HA ALA 47 1.098 -3.868 -11.656 337 HB1 ALA 47 HB1 ALA 47 2.377 -5.662 -12.583 338 HB2 ALA 47 HB2 ALA 47 0.701 -6.208 -12.555 339 HB3 ALA 47 HB3 ALA 47 1.835 -6.780 -11.332 340 H CYS 48 H CYS 48 -0.049 -3.435 -9.211 341 HA CYS 48 HA CYS 48 -2.547 -5.016 -9.481 342 HB2 CYS 48 HB3 CYS 48 -1.005 -5.985 -7.655 343 HB3 CYS 48 HB2 CYS 48 -1.374 -4.519 -6.749 344 HA PRO 49 HA PRO 49 -3.377 -0.564 -8.691 345 HB2 PRO 49 HB3 PRO 49 -4.790 -0.026 -10.928 346 HB3 PRO 49 HB2 PRO 49 -3.016 -0.082 -10.938 347 HG2 PRO 49 HG3 PRO 49 -4.975 -2.077 -11.936 348 HG3 PRO 49 HG2 PRO 49 -3.371 -1.657 -12.558 349 HD2 PRO 49 HD3 PRO 49 -3.979 -3.883 -10.926 350 HD3 PRO 49 HD2 PRO 49 -2.353 -3.257 -11.274 351 H TYR 50 H TYR 50 -4.846 -0.927 -6.995 352 HA TYR 50 HA TYR 50 -7.666 -0.789 -7.601 353 HB2 TYR 50 HB3 TYR 50 -6.515 -3.396 -6.566 354 HB3 TYR 50 HB2 TYR 50 -8.199 -2.945 -6.309 355 HD1 TYR 50 HD1 TYR 50 -9.532 -2.207 -8.456 356 HD2 TYR 50 HD2 TYR 50 -5.916 -4.523 -8.527 357 HE1 TYR 50 HE1 TYR 50 -10.094 -3.014 -10.730 358 HE2 TYR 50 HE2 TYR 50 -6.478 -5.330 -10.803 359 HH TYR 50 HH TYR 50 -8.252 -4.063 -12.814 360 H VAL 51 H VAL 51 -8.614 0.247 -5.829 361 HA VAL 51 HA VAL 51 -6.900 0.467 -3.417 362 HB VAL 51 HB VAL 51 -7.381 2.620 -4.214 363 HG11 VAL 51 HG11 VAL 51 -9.139 1.975 -5.813 364 HG12 VAL 51 HG12 VAL 51 -9.656 3.351 -4.841 365 HG13 VAL 51 HG13 VAL 51 -10.271 1.739 -4.482 366 HG21 VAL 51 HG21 VAL 51 -8.332 3.594 -2.360 367 HG22 VAL 51 HG22 VAL 51 -8.084 1.970 -1.720 368 HG23 VAL 51 HG23 VAL 51 -9.675 2.453 -2.309 369 H GLY 52 H GLY 52 -7.374 -1.099 -2.000 370 HA2 GLY 52 HA3 GLY 52 -10.127 -2.067 -1.687 371 HA3 GLY 52 HA2 GLY 52 -8.708 -2.703 -0.867 372 H CYS 53 H CYS 53 -10.482 -2.539 0.925 373 HA CYS 53 HA CYS 53 -10.660 0.189 2.100 374 HB2 CYS 53 HB3 CYS 53 -11.927 -1.426 3.885 375 HB3 CYS 53 HB2 CYS 53 -12.758 -0.695 2.539 376 H GLY 54 H GLY 54 -10.549 0.174 4.476 377 HA2 GLY 54 HA3 GLY 54 -8.309 -1.508 5.520 378 HA3 GLY 54 HA2 GLY 54 -8.554 0.187 6.007 379 H GLU 55 H GLU 55 -8.775 -2.005 7.908 380 HA GLU 55 HA GLU 55 -11.050 -3.242 8.534 381 HB2 GLU 55 HB3 GLU 55 -10.904 -2.589 10.833 382 HB3 GLU 55 HB2 GLU 55 -9.259 -2.620 10.204 383 HG2 GLU 55 HG3 GLU 55 -9.584 -0.116 9.712 384 HG3 GLU 55 HG2 GLU 55 -10.993 -0.219 10.768 385 H SER 56 H SER 56 -10.832 0.243 8.309 386 HA SER 56 HA SER 56 -13.134 1.331 9.184 387 HB2 SER 56 HB3 SER 56 -11.516 1.719 6.810 388 HB3 SER 56 HB2 SER 56 -13.198 2.051 6.453 389 HG SER 56 HG SER 56 -13.192 3.687 7.815 390 H PHE 57 H PHE 57 -12.937 -0.851 6.381 391 HA PHE 57 HA PHE 57 -15.903 -1.251 6.605 392 HB2 PHE 57 HB3 PHE 57 -15.301 -0.313 4.439 393 HB3 PHE 57 HB2 PHE 57 -14.138 -1.590 4.177 394 HD1 PHE 57 HD1 PHE 57 -14.844 -3.382 2.851 395 HD2 PHE 57 HD2 PHE 57 -17.734 -1.264 5.223 396 HE1 PHE 57 HE1 PHE 57 -16.642 -4.846 1.972 397 HE2 PHE 57 HE2 PHE 57 -19.529 -2.727 4.342 398 HZ PHE 57 HZ PHE 57 -18.984 -4.517 2.716 399 H ALA 58 H ALA 58 -13.840 -3.201 4.657 400 HA ALA 58 HA ALA 58 -14.117 -5.471 6.600 401 HB1 ALA 58 HB1 ALA 58 -14.219 -6.964 4.618 402 HB2 ALA 58 HB2 ALA 58 -14.171 -5.551 3.565 403 HB3 ALA 58 HB3 ALA 58 -15.554 -5.811 4.628 404 H ASP 59 H ASP 59 -12.026 -3.349 5.294 405 HA ASP 59 HA ASP 59 -9.715 -3.303 4.986 406 HB2 ASP 59 HB3 ASP 59 -9.633 -4.005 7.292 407 HB3 ASP 59 HB2 ASP 59 -9.954 -5.672 6.859 408 H HIS 60 H HIS 60 -10.545 -4.142 2.674 409 HA HIS 60 HA HIS 60 -10.184 -6.804 1.834 410 HB2 HIS 60 HB3 HIS 60 -10.027 -4.167 0.547 411 HB3 HIS 60 HB2 HIS 60 -8.967 -5.341 -0.209 412 HD2 HIS 60 HD2 HIS 60 -10.531 -7.906 -0.734 413 HE1 HIS 60 HE1 HIS 60 -14.026 -5.693 -1.551 414 HE2 HIS 60 HE2 HIS 60 -12.918 -7.959 -1.771 415 H SER 61 H SER 61 -7.966 -4.446 2.965 416 HA SER 61 HA SER 61 -5.470 -5.157 2.006 417 HB2 SER 61 HB3 SER 61 -6.273 -3.548 3.961 418 HB3 SER 61 HB2 SER 61 -5.781 -4.894 4.976 419 HG SER 61 HG SER 61 -4.258 -3.329 3.193 420 H THR 62 H THR 62 -7.487 -7.028 4.224 421 HA THR 62 HA THR 62 -5.314 -8.950 4.695 422 HB THR 62 HB THR 62 -7.400 -10.156 5.806 423 HG1 THR 62 HG1 THR 62 -8.189 -7.545 5.245 424 HG21 THR 62 HG21 THR 62 -6.044 -7.694 6.938 425 HG22 THR 62 HG22 THR 62 -5.428 -9.344 7.017 426 HG23 THR 62 HG23 THR 62 -6.898 -8.909 7.889 427 H ILE 63 H ILE 63 -8.713 -9.370 3.623 428 HA ILE 63 HA ILE 63 -8.269 -11.915 2.530 429 HB ILE 63 HB ILE 63 -10.292 -11.403 1.069 430 HG12 ILE 63 HG13 ILE 63 -10.395 -8.915 2.775 431 HG13 ILE 63 HG12 ILE 63 -9.730 -8.925 1.143 432 HG21 ILE 63 HG21 ILE 63 -11.813 -11.452 2.998 433 HG22 ILE 63 HG22 ILE 63 -10.517 -10.889 4.054 434 HG23 ILE 63 HG23 ILE 63 -10.418 -12.485 3.309 435 HD11 ILE 63 HD11 ILE 63 -12.196 -8.296 1.310 436 HD12 ILE 63 HD12 ILE 63 -12.494 -9.969 1.779 437 HD13 ILE 63 HD13 ILE 63 -11.820 -9.607 0.192 438 H HIS 64 H HIS 64 -7.760 -8.747 1.180 439 HA HIS 64 HA HIS 64 -7.310 -9.616 -1.544 440 HB2 HIS 64 HB3 HIS 64 -7.859 -7.258 -1.005 441 HB3 HIS 64 HB2 HIS 64 -6.322 -7.107 -0.150 442 HD1 HIS 64 HD1 HIS 64 -7.797 -6.889 -3.502 443 HD2 HIS 64 HD2 HIS 64 -3.995 -7.520 -1.910 444 HE1 HIS 64 HE1 HIS 64 -6.155 -6.524 -5.398 445 H ALA 65 H ALA 65 -5.175 -8.951 1.245 446 HA ALA 65 HA ALA 65 -2.762 -9.631 -0.288 447 HB1 ALA 65 HB1 ALA 65 -2.444 -8.148 1.585 448 HB2 ALA 65 HB2 ALA 65 -1.727 -9.690 2.053 449 HB3 ALA 65 HB3 ALA 65 -3.316 -9.232 2.670 450 H GLN 66 H GLN 66 -5.238 -11.166 1.376 451 HA GLN 66 HA GLN 66 -3.904 -13.683 2.006 452 HB2 GLN 66 HB3 GLN 66 -5.679 -12.874 3.410 453 HB3 GLN 66 HB2 GLN 66 -6.706 -12.614 2.026 454 HG2 GLN 66 HG3 GLN 66 -7.636 -14.568 2.690 455 HG3 GLN 66 HG2 GLN 66 -6.329 -15.260 1.731 456 HE21 GLN 66 HE21 GLN 66 -5.714 -17.085 2.950 457 HE22 GLN 66 HE22 GLN 66 -5.262 -17.029 4.586 458 H ALA 67 H ALA 67 -6.070 -12.426 -0.511 459 HA ALA 67 HA ALA 67 -6.336 -15.078 -1.751 460 HB1 ALA 67 HB1 ALA 67 -7.578 -13.535 -3.513 461 HB2 ALA 67 HB2 ALA 67 -7.550 -12.376 -2.184 462 HB3 ALA 67 HB3 ALA 67 -8.341 -13.937 -1.975 463 H LYS 68 H LYS 68 -4.916 -11.922 -2.530 464 HA LYS 68 HA LYS 68 -3.630 -13.097 -4.934 465 HB2 LYS 68 HB3 LYS 68 -3.593 -10.245 -3.907 466 HB3 LYS 68 HB2 LYS 68 -3.049 -10.801 -5.487 467 HG2 LYS 68 HG3 LYS 68 -5.181 -10.207 -6.112 468 HG3 LYS 68 HG2 LYS 68 -5.553 -11.823 -5.511 469 HD2 LYS 68 HD3 LYS 68 -6.194 -10.928 -3.347 470 HD3 LYS 68 HD2 LYS 68 -5.682 -9.314 -3.823 471 HE2 LYS 68 HE3 LYS 68 -7.422 -9.145 -5.463 472 HE3 LYS 68 HE2 LYS 68 -7.816 -10.857 -5.307 473 HZ1 LYS 68 HZ1 LYS 68 -8.122 -8.811 -3.176 474 HZ2 LYS 68 HZ2 LYS 68 -8.508 -10.460 -3.031 475 HZ3 LYS 68 HZ3 LYS 68 -9.383 -9.470 -4.100 476 H LYS 69 H LYS 69 -2.985 -13.021 -1.762 477 HA LYS 69 HA LYS 69 -1.046 -13.215 -0.485 478 HB2 LYS 69 HB3 LYS 69 -0.310 -14.237 -3.191 479 HB3 LYS 69 HB2 LYS 69 1.007 -13.941 -2.058 480 HG2 LYS 69 HG3 LYS 69 0.036 -16.285 -1.989 481 HG3 LYS 69 HG2 LYS 69 0.070 -15.445 -0.440 482 HD2 LYS 69 HD3 LYS 69 -2.232 -15.169 -0.376 483 HD3 LYS 69 HD2 LYS 69 -2.389 -15.165 -2.132 484 HE2 LYS 69 HE3 LYS 69 -3.288 -17.242 -1.013 485 HE3 LYS 69 HE2 LYS 69 -2.058 -17.553 -2.238 486 HZ1 LYS 69 HZ1 LYS 69 -0.768 -18.483 -0.719 487 HZ2 LYS 69 HZ2 LYS 69 -2.019 -18.322 0.420 488 HZ3 LYS 69 HZ3 LYS 69 -0.840 -17.107 0.270 489 H HIS 70 H HIS 70 -1.638 -10.624 -2.155 490 HA HIS 70 HA HIS 70 1.028 -9.456 -2.502 491 HB2 HIS 70 HB3 HIS 70 -1.743 -8.209 -2.398 492 HB3 HIS 70 HB2 HIS 70 -0.271 -7.306 -2.731 493 HD2 HIS 70 HD2 HIS 70 0.947 -9.931 -4.672 494 HE1 HIS 70 HE1 HIS 70 -2.253 -8.745 -7.152 495 HE2 HIS 70 HE2 HIS 70 -0.089 -10.059 -7.057 496 H ASN 71 H ASN 71 2.278 -8.754 -0.812 497 HA ASN 71 HA ASN 71 1.040 -8.649 1.866 498 HB2 ASN 71 HB3 ASN 71 3.918 -8.034 1.556 499 HB3 ASN 71 HB2 ASN 71 3.109 -9.146 2.656 500 HD21 ASN 71 HD21 ASN 71 4.501 -8.842 -0.582 501 HD22 ASN 71 HD22 ASN 71 4.456 -10.500 -0.949 502 H LEU 72 H LEU 72 2.892 -6.466 -0.266 503 HA LEU 72 HA LEU 72 2.668 -4.286 1.662 504 HB2 LEU 72 HB3 LEU 72 3.738 -4.430 -1.151 505 HB3 LEU 72 HB2 LEU 72 3.787 -2.972 -0.163 506 HG LEU 72 HG LEU 72 4.903 -5.609 0.800 507 HD11 LEU 72 HD11 LEU 72 6.197 -5.197 -1.128 508 HD12 LEU 72 HD12 LEU 72 7.141 -4.478 0.174 509 HD13 LEU 72 HD13 LEU 72 6.167 -3.453 -0.881 510 HD21 LEU 72 HD21 LEU 72 4.660 -4.132 2.631 511 HD22 LEU 72 HD22 LEU 72 5.073 -2.717 1.663 512 HD23 LEU 72 HD23 LEU 72 6.327 -3.865 2.126 513 H THR 73 H THR 73 1.346 -2.618 1.668 514 HA THR 73 HA THR 73 -0.310 -1.888 -0.648 515 HB THR 73 HB THR 73 -1.751 -3.550 0.457 516 HG1 THR 73 HG1 THR 73 -3.424 -2.012 1.176 517 HG21 THR 73 HG21 THR 73 -2.382 -3.300 2.806 518 HG22 THR 73 HG22 THR 73 -1.370 -1.865 2.945 519 HG23 THR 73 HG23 THR 73 -0.631 -3.441 2.670 520 H VAL 74 H VAL 74 -1.301 0.332 -0.186 521 HA VAL 74 HA VAL 74 0.213 1.679 2.022 522 HB VAL 74 HB VAL 74 1.225 2.415 0.018 523 HG11 VAL 74 HG11 VAL 74 -0.130 3.233 -1.909 524 HG12 VAL 74 HG12 VAL 74 -1.599 2.792 -1.042 525 HG13 VAL 74 HG13 VAL 74 -0.463 1.541 -1.543 526 HG21 VAL 74 HG21 VAL 74 -0.893 4.534 0.445 527 HG22 VAL 74 HG22 VAL 74 0.813 4.751 0.053 528 HG23 VAL 74 HG23 VAL 74 0.340 4.213 1.663 529 H ASN 75 H ASN 75 -0.925 2.817 3.441 530 HA ASN 75 HA ASN 75 -3.839 3.008 3.139 531 HB2 ASN 75 HB3 ASN 75 -2.585 2.451 5.317 532 HB3 ASN 75 HB2 ASN 75 -2.184 4.166 5.385 533 HD21 ASN 75 HD21 ASN 75 -3.914 2.817 7.316 534 HD22 ASN 75 HD22 ASN 75 -5.456 3.511 7.178 535 H LEU 76 H LEU 76 -4.425 4.604 1.728 536 HA LEU 76 HA LEU 76 -2.944 7.069 1.414 537 HB2 LEU 76 HB3 LEU 76 -5.832 6.590 0.657 538 HB3 LEU 76 HB2 LEU 76 -4.691 7.705 -0.089 539 HG LEU 76 HG LEU 76 -3.580 5.029 -0.092 540 HD11 LEU 76 HD11 LEU 76 -6.038 4.437 -0.052 541 HD12 LEU 76 HD12 LEU 76 -5.146 3.852 -1.452 542 HD13 LEU 76 HD13 LEU 76 -6.185 5.266 -1.601 543 HD21 LEU 76 HD21 LEU 76 -4.519 6.470 -2.548 544 HD22 LEU 76 HD22 LEU 76 -3.061 5.517 -2.306 545 HD23 LEU 76 HD23 LEU 76 -3.182 7.131 -1.609 546 H THR 77 H THR 77 -4.264 6.120 4.078 547 HA THR 77 HA THR 77 -5.857 8.535 4.730 548 HB THR 77 HB THR 77 -5.150 6.140 6.448 549 HG1 THR 77 HG1 THR 77 -6.665 5.161 5.421 550 HG21 THR 77 HG21 THR 77 -5.772 8.020 7.808 551 HG22 THR 77 HG22 THR 77 -7.173 6.956 7.728 552 HG23 THR 77 HG23 THR 77 -7.118 8.417 6.742 553 H THR 78 H THR 78 -2.873 6.856 5.585 554 HA THR 78 HA THR 78 -1.967 9.326 7.017 555 HB THR 78 HB THR 78 -1.027 6.492 7.510 556 HG1 THR 78 HG1 THR 78 -2.424 7.688 9.495 557 HG21 THR 78 HG21 THR 78 0.624 8.123 8.163 558 HG22 THR 78 HG22 THR 78 -0.176 7.564 9.632 559 HG23 THR 78 HG23 THR 78 -0.601 9.129 8.937 560 H PHE 79 H PHE 79 -1.346 7.175 4.422 561 HA PHE 79 HA PHE 79 0.253 7.383 2.712 562 HB2 PHE 79 HB3 PHE 79 1.786 9.430 4.291 563 HB3 PHE 79 HB2 PHE 79 1.606 9.278 2.546 564 HD1 PHE 79 HD1 PHE 79 -1.197 9.075 2.038 565 HD2 PHE 79 HD2 PHE 79 0.808 11.427 5.022 566 HE1 PHE 79 HE1 PHE 79 -3.112 10.648 2.085 567 HE2 PHE 79 HE2 PHE 79 -1.108 13.000 5.068 568 HZ PHE 79 HZ PHE 79 -3.067 12.611 3.600 569 H ARG 80 H ARG 80 0.539 5.287 4.270 570 HA ARG 80 HA ARG 80 3.478 4.988 4.499 571 HB2 ARG 80 HB3 ARG 80 2.670 3.456 6.618 572 HB3 ARG 80 HB2 ARG 80 3.332 5.078 6.780 573 HG2 ARG 80 HG3 ARG 80 1.234 6.040 7.138 574 HG3 ARG 80 HG2 ARG 80 0.381 4.741 6.301 575 HD2 ARG 80 HD3 ARG 80 0.544 3.278 8.123 576 HD3 ARG 80 HD2 ARG 80 1.904 4.152 8.830 577 HE ARG 80 HE ARG 80 -0.626 5.650 8.728 578 HH11 ARG 80 HH11 ARG 80 -1.442 6.240 10.748 579 HH12 ARG 80 HH12 ARG 80 -0.768 5.535 12.180 580 HH21 ARG 80 HH21 ARG 80 1.530 3.590 10.461 581 HH22 ARG 80 HH22 ARG 80 0.914 4.035 12.016 582 H LEU 81 H LEU 81 3.743 2.417 5.006 583 HA LEU 81 HA LEU 81 1.844 1.083 3.125 584 HB2 LEU 81 HB3 LEU 81 4.777 0.992 3.417 585 HB3 LEU 81 HB2 LEU 81 4.010 -0.548 3.075 586 HG LEU 81 HG LEU 81 3.193 1.840 1.477 587 HD11 LEU 81 HD11 LEU 81 5.544 2.146 1.336 588 HD12 LEU 81 HD12 LEU 81 5.109 1.257 -0.124 589 HD13 LEU 81 HD13 LEU 81 5.841 0.410 1.238 590 HD21 LEU 81 HD21 LEU 81 2.773 -0.972 1.374 591 HD22 LEU 81 HD22 LEU 81 3.778 -0.571 -0.013 592 HD23 LEU 81 HD23 LEU 81 2.227 0.235 0.211 593 H TRP 82 H TRP 82 2.008 -1.396 3.477 594 HA TRP 82 HA TRP 82 2.262 -2.200 6.285 595 HB2 TRP 82 HB3 TRP 82 -0.085 -1.198 5.942 596 HB3 TRP 82 HB2 TRP 82 -0.397 -2.587 4.906 597 HD1 TRP 82 HD TRP 82 1.304 -2.231 8.375 598 HE1 TRP 82 HE1 TRP 82 0.284 -4.004 9.944 599 HE3 TRP 82 HE3 TRP 82 -2.091 -4.364 5.211 600 HZ2 TRP 82 HZ2 TRP 82 -1.709 -6.054 9.869 601 HZ3 TRP 82 HZ3 TRP 82 -3.536 -6.222 5.986 602 HH2 TRP 82 HH2 TRP 82 -3.351 -7.069 8.308 603 H CYS 83 H CYS 83 3.499 -3.982 5.942 604 HA CYS 83 HA CYS 83 3.060 -5.600 3.513 605 HB2 CYS 83 HB3 CYS 83 5.336 -4.827 4.761 606 HB3 CYS 83 HB2 CYS 83 5.090 -6.400 5.513 607 H TYR 84 H TYR 84 1.469 -7.158 3.727 608 HA TYR 84 HA TYR 84 0.804 -8.284 6.330 609 HB2 TYR 84 HB3 TYR 84 -0.689 -8.171 4.167 610 HB3 TYR 84 HB2 TYR 84 0.174 -9.637 3.697 611 HD1 TYR 84 HD1 TYR 84 -1.512 -8.195 6.727 612 HD2 TYR 84 HD2 TYR 84 -0.756 -11.679 4.330 613 HE1 TYR 84 HE1 TYR 84 -2.985 -9.533 8.207 614 HE2 TYR 84 HE2 TYR 84 -2.229 -13.017 5.811 615 HH TYR 84 HH TYR 84 -3.029 -12.878 8.217 616 H ALA 85 H ALA 85 3.476 -8.483 4.530 617 HA ALA 85 HA ALA 85 4.019 -11.349 5.071 618 HB1 ALA 85 HB1 ALA 85 6.185 -10.765 3.775 619 HB2 ALA 85 HB2 ALA 85 5.354 -9.277 3.324 620 HB3 ALA 85 HB3 ALA 85 4.687 -10.840 2.852 621 H CYS 86 H CYS 86 5.992 -8.341 5.170 622 HA CYS 86 HA CYS 86 7.530 -9.224 7.430 623 HB2 CYS 86 HB3 CYS 86 6.956 -6.362 6.567 624 HB3 CYS 86 HB2 CYS 86 8.313 -6.914 7.542 625 H GLU 87 H GLU 87 4.386 -8.243 6.919 626 HA GLU 87 HA GLU 87 2.618 -7.578 8.293 627 HB2 GLU 87 HB3 GLU 87 4.037 -9.796 9.407 628 HB3 GLU 87 HB2 GLU 87 3.449 -8.793 10.723 629 HG2 GLU 87 HG3 GLU 87 1.703 -9.678 8.421 630 HG3 GLU 87 HG2 GLU 87 1.822 -10.567 9.938 631 H LYS 88 H LYS 88 3.908 -5.418 8.064 632 HA LYS 88 HA LYS 88 3.846 -4.159 10.700 633 HB2 LYS 88 HB3 LYS 88 6.212 -3.196 10.334 634 HB3 LYS 88 HB2 LYS 88 6.109 -4.867 10.892 635 HG2 LYS 88 HG3 LYS 88 6.508 -5.720 8.696 636 HG3 LYS 88 HG2 LYS 88 6.296 -4.134 7.964 637 HD2 LYS 88 HD3 LYS 88 8.682 -4.657 8.105 638 HD3 LYS 88 HD2 LYS 88 8.302 -3.328 9.200 639 HE2 LYS 88 HE3 LYS 88 8.090 -6.068 10.347 640 HE3 LYS 88 HE2 LYS 88 9.717 -5.498 9.977 641 HZ1 LYS 88 HZ1 LYS 88 9.531 -4.553 11.990 642 HZ2 LYS 88 HZ2 LYS 88 7.832 -4.560 11.973 643 HZ3 LYS 88 HZ3 LYS 88 8.689 -3.345 11.151 644 H GLU 89 H GLU 89 4.793 -1.727 10.234 645 HA GLU 89 HA GLU 89 3.425 -0.845 7.723 646 HB2 GLU 89 HB3 GLU 89 3.060 -0.053 10.399 647 HB3 GLU 89 HB2 GLU 89 3.959 1.269 9.661 648 HG2 GLU 89 HG3 GLU 89 2.275 1.709 8.089 649 HG3 GLU 89 HG2 GLU 89 1.565 0.103 8.248 650 H VAL 90 H VAL 90 4.586 0.531 6.286 651 HA VAL 90 HA VAL 90 7.263 1.449 7.194 652 HB VAL 90 HB VAL 90 7.926 0.462 4.714 653 HG11 VAL 90 HG11 VAL 90 8.086 -0.993 7.371 654 HG12 VAL 90 HG12 VAL 90 9.227 0.222 6.794 655 HG13 VAL 90 HG13 VAL 90 9.087 -1.326 5.958 656 HG21 VAL 90 HG21 VAL 90 5.591 -0.663 4.782 657 HG22 VAL 90 HG22 VAL 90 6.287 -1.726 6.003 658 HG23 VAL 90 HG23 VAL 90 6.974 -1.681 4.379 659 H PHE 91 H PHE 91 8.010 3.227 6.075 660 HA PHE 91 HA PHE 91 6.059 4.548 4.249 661 HB2 PHE 91 HB3 PHE 91 8.439 5.669 5.757 662 HB3 PHE 91 HB2 PHE 91 7.350 6.601 4.736 663 HD1 PHE 91 HD1 PHE 91 7.274 4.249 7.663 664 HD2 PHE 91 HD2 PHE 91 5.484 7.631 5.712 665 HE1 PHE 91 HE1 PHE 91 5.729 4.537 9.580 666 HE2 PHE 91 HE2 PHE 91 3.938 7.919 7.629 667 HZ PHE 91 HZ PHE 91 4.060 6.372 9.564 668 H LEU 92 H LEU 92 7.190 5.917 2.504 669 HA LEU 92 HA LEU 92 8.672 4.341 0.743 670 HB2 LEU 92 HB3 LEU 92 8.892 7.349 1.125 671 HB3 LEU 92 HB2 LEU 92 9.415 6.461 -0.305 672 HG LEU 92 HG LEU 92 6.575 6.259 0.697 673 HD11 LEU 92 HD11 LEU 92 5.998 8.043 -0.936 674 HD12 LEU 92 HD12 LEU 92 7.717 8.321 -1.211 675 HD13 LEU 92 HD13 LEU 92 7.014 8.646 0.373 676 HD21 LEU 92 HD21 LEU 92 7.144 4.606 -0.948 677 HD22 LEU 92 HD22 LEU 92 7.992 5.791 -1.942 678 HD23 LEU 92 HD23 LEU 92 6.236 5.854 -1.801 679 H GLU 93 H GLU 93 10.889 4.051 0.438 680 HA GLU 93 HA GLU 93 12.556 3.676 2.623 681 HB2 GLU 93 HB3 GLU 93 14.451 4.063 0.824 682 HB3 GLU 93 HB2 GLU 93 13.352 2.695 0.670 683 HG2 GLU 93 HG3 GLU 93 12.390 5.228 -0.552 684 HG3 GLU 93 HG2 GLU 93 13.795 4.496 -1.332 685 H GLN 94 H GLN 94 11.397 6.651 1.781 686 HA GLN 94 HA GLN 94 11.995 8.824 2.408 687 HB2 GLN 94 HB3 GLN 94 14.174 7.592 4.095 688 HB3 GLN 94 HB2 GLN 94 13.280 9.082 4.384 689 HG2 GLN 94 HG3 GLN 94 11.183 7.644 4.559 690 HG3 GLN 94 HG2 GLN 94 12.255 6.244 4.596 691 HE21 GLN 94 HE21 GLN 94 11.919 9.442 6.252 692 HE22 GLN 94 HE22 GLN 94 12.379 8.857 7.778 693 H ARG 95 H ARG 95 14.413 6.658 1.168 694 HA ARG 95 HA ARG 95 16.663 8.257 0.859 695 HB2 ARG 95 HB3 ARG 95 17.321 6.787 -0.813 696 HB3 ARG 95 HB2 ARG 95 16.045 5.845 -0.054 697 HG2 ARG 95 HG3 ARG 95 15.518 5.690 -2.335 698 HG3 ARG 95 HG2 ARG 95 14.461 6.977 -1.769 699 HD2 ARG 95 HD3 ARG 95 15.389 8.399 -3.259 700 HD3 ARG 95 HD2 ARG 95 16.978 8.145 -2.541 701 HE ARG 95 HE ARG 95 15.943 6.835 -4.955 702 HH11 ARG 95 HH11 ARG 95 17.438 5.532 -6.038 703 HH12 ARG 95 HH12 ARG 95 18.923 5.105 -5.255 704 HH21 ARG 95 HH21 ARG 95 18.202 6.851 -2.348 705 HH22 ARG 95 HH22 ARG 95 19.355 5.852 -3.167 706 H LEU 96 H LEU 96 13.593 8.486 -0.811 707 HA LEU 96 HA LEU 96 14.591 10.591 -2.622 708 HB2 LEU 96 HB3 LEU 96 12.202 10.652 -3.402 709 HB3 LEU 96 HB2 LEU 96 12.951 9.065 -3.541 710 HG LEU 96 HG LEU 96 11.941 8.538 -1.249 711 HD11 LEU 96 HD11 LEU 96 11.178 10.450 -0.234 712 HD12 LEU 96 HD12 LEU 96 9.704 10.043 -1.108 713 HD13 LEU 96 HD13 LEU 96 10.810 11.248 -1.763 714 HD21 LEU 96 HD21 LEU 96 11.055 7.681 -3.406 715 HD22 LEU 96 HD22 LEU 96 10.038 9.116 -3.539 716 HD23 LEU 96 HD23 LEU 96 9.770 7.964 -2.231 717 H ALA 97 H ALA 97 12.918 12.573 -2.733 718 HA ALA 97 HA ALA 97 11.846 13.427 -0.170 719 HB1 ALA 97 HB1 ALA 97 14.198 15.031 -1.179 720 HB2 ALA 97 HB2 ALA 97 14.406 13.728 -0.007 721 HB3 ALA 97 HB3 ALA 97 13.402 15.123 0.394 722 H ALA 98 H ALA 98 10.205 13.434 -2.070 723 HA ALA 98 HA ALA 98 9.843 16.216 -2.891 724 HB1 ALA 98 HB1 ALA 98 10.062 14.125 -5.070 725 HB2 ALA 98 HB2 ALA 98 11.385 15.209 -4.643 726 HB3 ALA 98 HB3 ALA 98 9.874 15.867 -5.269 727 HA PRO 99 HA PRO 99 6.105 13.520 -1.823 728 HB2 PRO 99 HB3 PRO 99 5.363 16.264 -0.875 729 HB3 PRO 99 HB2 PRO 99 5.079 14.690 -0.105 730 HG2 PRO 99 HG3 PRO 99 6.997 16.327 0.752 731 HG3 PRO 99 HG2 PRO 99 7.210 14.568 0.745 732 HD2 PRO 99 HD3 PRO 99 8.424 16.613 -1.055 733 HD3 PRO 99 HD2 PRO 99 9.056 15.028 -0.558 Start of MODEL 13 1 H1 MET 1 H1 MET 1 16.591 -7.649 -0.659 2 HA MET 1 HA MET 1 19.177 -6.987 -1.563 3 HB2 MET 1 HB3 MET 1 18.138 -7.823 -3.739 4 HB3 MET 1 HB2 MET 1 16.988 -6.495 -3.592 5 HG2 MET 1 HG3 MET 1 18.873 -4.888 -3.506 6 HG3 MET 1 HG2 MET 1 20.005 -6.224 -3.708 7 HE1 MET 1 HE1 MET 1 20.598 -7.354 -5.777 8 HE2 MET 1 HE2 MET 1 21.181 -5.692 -5.835 9 HE3 MET 1 HE3 MET 1 20.496 -6.429 -7.282 10 H GLY 2 H GLY 2 18.840 -5.687 0.335 11 HA2 GLY 2 HA3 GLY 2 17.506 -3.146 -0.233 12 HA3 GLY 2 HA2 GLY 2 16.746 -4.071 1.063 13 H ASP 3 H ASP 3 17.684 -1.744 1.914 14 HA ASP 3 HA ASP 3 19.750 -2.466 3.798 15 HB2 ASP 3 HB3 ASP 3 21.348 -0.623 2.966 16 HB3 ASP 3 HB2 ASP 3 21.331 -2.134 2.055 17 H SER 4 H SER 4 17.947 -1.665 5.109 18 HA SER 4 HA SER 4 18.264 0.958 6.070 19 HB2 SER 4 HB3 SER 4 16.446 0.712 3.736 20 HB3 SER 4 HB2 SER 4 15.851 1.680 5.082 21 HG SER 4 HG SER 4 18.006 2.093 3.367 22 H ARG 5 H ARG 5 15.898 1.639 7.114 23 HA ARG 5 HA ARG 5 14.985 -0.845 8.515 24 HB2 ARG 5 HB3 ARG 5 14.108 1.304 10.040 25 HB3 ARG 5 HB2 ARG 5 15.566 0.364 10.354 26 HG2 ARG 5 HG3 ARG 5 16.947 1.928 9.206 27 HG3 ARG 5 HG2 ARG 5 15.559 2.730 8.473 28 HD2 ARG 5 HD3 ARG 5 15.951 2.629 11.467 29 HD3 ARG 5 HD2 ARG 5 16.634 3.918 10.476 30 HE ARG 5 HE ARG 5 13.837 3.631 11.194 31 HH11 ARG 5 HH11 ARG 5 12.429 5.174 10.330 32 HH12 ARG 5 HH12 ARG 5 12.948 6.149 8.995 33 HH21 ARG 5 HH21 ARG 5 16.086 4.686 8.805 34 HH22 ARG 5 HH22 ARG 5 15.018 5.874 8.133 35 H ASP 6 H ASP 6 13.872 2.272 7.201 36 HA ASP 6 HA ASP 6 11.063 1.648 7.498 37 HB2 ASP 6 HB3 ASP 6 12.501 3.923 6.934 38 HB3 ASP 6 HB2 ASP 6 11.821 3.540 5.354 39 H LEU 7 H LEU 7 13.482 1.035 5.036 40 HA LEU 7 HA LEU 7 11.600 0.388 2.941 41 HB2 LEU 7 HB3 LEU 7 13.453 0.115 1.636 42 HB3 LEU 7 HB2 LEU 7 14.268 0.893 2.982 43 HG LEU 7 HG LEU 7 15.572 -1.015 2.432 44 HD11 LEU 7 HD11 LEU 7 14.325 -0.811 4.962 45 HD12 LEU 7 HD12 LEU 7 15.857 -1.584 4.569 46 HD13 LEU 7 HD13 LEU 7 14.372 -2.530 4.568 47 HD21 LEU 7 HD21 LEU 7 13.626 -3.158 2.837 48 HD22 LEU 7 HD22 LEU 7 14.762 -2.905 1.516 49 HD23 LEU 7 HD23 LEU 7 13.189 -2.114 1.483 50 H CYS 8 H CYS 8 11.235 -1.817 2.083 51 HA CYS 8 HA CYS 8 11.454 -3.934 4.185 52 HB2 CYS 8 HB3 CYS 8 9.196 -3.996 4.318 53 HB3 CYS 8 HB2 CYS 8 9.045 -2.784 3.052 54 HA PRO 9 HA PRO 9 13.242 -6.617 1.180 55 HB2 PRO 9 HB3 PRO 9 11.710 -8.915 1.497 56 HB3 PRO 9 HB2 PRO 9 13.011 -8.425 2.590 57 HG2 PRO 9 HG3 PRO 9 10.087 -7.956 2.839 58 HG3 PRO 9 HG2 PRO 9 11.207 -8.539 4.073 59 HD2 PRO 9 HD3 PRO 9 10.465 -5.992 4.102 60 HD3 PRO 9 HD2 PRO 9 12.182 -6.389 4.352 61 H HIS 10 H HIS 10 9.732 -7.207 1.181 62 HA HIS 10 HA HIS 10 9.649 -7.690 -1.690 63 HB2 HIS 10 HB3 HIS 10 7.168 -7.013 -0.111 64 HB3 HIS 10 HB2 HIS 10 7.396 -8.207 -1.387 65 HD2 HIS 10 HD2 HIS 10 8.363 -10.709 -0.536 66 HE1 HIS 10 HE1 HIS 10 8.437 -9.821 3.587 67 HE2 HIS 10 HE2 HIS 10 8.666 -11.664 1.867 68 H LEU 11 H LEU 11 10.122 -4.938 0.000 69 HA LEU 11 HA LEU 11 8.322 -3.106 -1.309 70 HB2 LEU 11 HB3 LEU 11 9.633 -2.759 0.861 71 HB3 LEU 11 HB2 LEU 11 11.027 -2.434 -0.159 72 HG LEU 11 HG LEU 11 8.557 -0.953 -0.884 73 HD11 LEU 11 HD11 LEU 11 8.212 -0.612 1.406 74 HD12 LEU 11 HD12 LEU 11 9.217 0.767 0.963 75 HD13 LEU 11 HD13 LEU 11 9.936 -0.628 1.768 76 HD21 LEU 11 HD21 LEU 11 11.382 0.018 -0.378 77 HD22 LEU 11 HD22 LEU 11 10.132 0.810 -1.338 78 HD23 LEU 11 HD23 LEU 11 10.870 -0.686 -1.911 79 H ASP 12 H ASP 12 11.359 -4.563 -2.179 80 HA ASP 12 HA ASP 12 11.834 -2.641 -4.368 81 HB2 ASP 12 HB3 ASP 12 13.748 -3.618 -3.137 82 HB3 ASP 12 HB2 ASP 12 13.246 -5.229 -3.655 83 H SER 13 H SER 13 10.240 -5.655 -3.838 84 HA SER 13 HA SER 13 10.322 -6.512 -6.633 85 HB2 SER 13 HB3 SER 13 10.116 -8.068 -4.639 86 HB3 SER 13 HB2 SER 13 8.465 -7.487 -4.451 87 HG SER 13 HG SER 13 7.888 -8.546 -6.198 88 H ILE 14 H ILE 14 8.334 -4.408 -4.722 89 HA ILE 14 HA ILE 14 6.035 -4.621 -6.571 90 HB ILE 14 HB ILE 14 5.088 -2.818 -5.116 91 HG12 ILE 14 HG13 ILE 14 7.506 -3.270 -3.377 92 HG13 ILE 14 HG12 ILE 14 7.439 -1.945 -4.535 93 HG21 ILE 14 HG21 ILE 14 4.596 -4.293 -3.328 94 HG22 ILE 14 HG22 ILE 14 6.184 -5.052 -3.410 95 HG23 ILE 14 HG23 ILE 14 4.991 -5.374 -4.663 96 HD11 ILE 14 HD11 ILE 14 6.641 -1.527 -2.071 97 HD12 ILE 14 HD12 ILE 14 5.170 -2.340 -2.602 98 HD13 ILE 14 HD13 ILE 14 5.702 -0.864 -3.406 99 H GLY 15 H GLY 15 8.980 -2.952 -6.521 100 HA2 GLY 15 HA3 GLY 15 9.750 -1.034 -7.654 101 HA3 GLY 15 HA2 GLY 15 8.592 -1.526 -8.891 102 H GLU 16 H GLU 16 8.583 0.991 -9.033 103 HA GLU 16 HA GLU 16 6.640 2.119 -7.056 104 HB2 GLU 16 HB3 GLU 16 8.723 3.384 -7.168 105 HB3 GLU 16 HB2 GLU 16 8.601 3.492 -8.922 106 HG2 GLU 16 HG3 GLU 16 7.854 5.560 -7.616 107 HG3 GLU 16 HG2 GLU 16 6.702 4.946 -8.800 108 H VAL 17 H VAL 17 4.652 1.606 -7.951 109 HA VAL 17 HA VAL 17 4.070 1.580 -10.754 110 HB VAL 17 HB VAL 17 1.691 1.638 -10.034 111 HG11 VAL 17 HG11 VAL 17 1.758 -0.417 -8.683 112 HG12 VAL 17 HG12 VAL 17 3.456 -0.122 -8.304 113 HG13 VAL 17 HG13 VAL 17 2.972 -0.481 -9.962 114 HG21 VAL 17 HG21 VAL 17 1.244 1.723 -7.571 115 HG22 VAL 17 HG22 VAL 17 1.874 3.242 -8.207 116 HG23 VAL 17 HG23 VAL 17 2.935 2.152 -7.314 117 H THR 18 H THR 18 1.914 3.213 -11.225 118 HA THR 18 HA THR 18 3.154 5.757 -11.711 119 HB THR 18 HB THR 18 0.346 6.125 -11.771 120 HG1 THR 18 HG1 THR 18 -0.447 4.280 -12.532 121 HG21 THR 18 HG21 THR 18 2.350 5.353 -13.907 122 HG22 THR 18 HG22 THR 18 1.847 6.984 -13.461 123 HG23 THR 18 HG23 THR 18 0.707 5.893 -14.249 124 H LYS 19 H LYS 19 3.289 7.523 -10.415 125 HA LYS 19 HA LYS 19 2.665 7.396 -7.642 126 HB2 LYS 19 HB3 LYS 19 2.598 10.140 -8.606 127 HB3 LYS 19 HB2 LYS 19 3.822 9.349 -7.613 128 HG2 LYS 19 HG3 LYS 19 4.476 8.237 -9.959 129 HG3 LYS 19 HG2 LYS 19 3.724 9.703 -10.582 130 HD2 LYS 19 HD3 LYS 19 5.886 10.476 -10.302 131 HD3 LYS 19 HD2 LYS 19 5.259 10.828 -8.692 132 HE2 LYS 19 HE3 LYS 19 6.044 8.452 -8.059 133 HE3 LYS 19 HE2 LYS 19 6.963 8.489 -9.562 134 HZ1 LYS 19 HZ1 LYS 19 7.534 10.880 -8.428 135 HZ2 LYS 19 HZ2 LYS 19 8.522 9.500 -8.359 136 HZ3 LYS 19 HZ3 LYS 19 7.457 9.851 -7.082 137 H GLU 20 H GLU 20 1.030 9.168 -10.258 138 HA GLU 20 HA GLU 20 -1.227 10.065 -8.950 139 HB2 GLU 20 HB3 GLU 20 -1.016 10.637 -11.222 140 HB3 GLU 20 HB2 GLU 20 -0.865 8.947 -11.711 141 HG2 GLU 20 HG3 GLU 20 -3.243 8.613 -10.893 142 HG3 GLU 20 HG2 GLU 20 -3.344 10.359 -10.685 143 H ASP 21 H ASP 21 -0.392 6.804 -9.956 144 HA ASP 21 HA ASP 21 -2.897 5.537 -9.569 145 HB2 ASP 21 HB3 ASP 21 -0.528 4.569 -10.294 146 HB3 ASP 21 HB2 ASP 21 -0.402 4.181 -8.581 147 H LEU 22 H LEU 22 -0.407 6.509 -7.264 148 HA LEU 22 HA LEU 22 -1.826 5.450 -4.955 149 HB2 LEU 22 HB3 LEU 22 0.498 7.348 -5.298 150 HB3 LEU 22 HB2 LEU 22 -0.200 7.019 -3.712 151 HG LEU 22 HG LEU 22 0.248 4.630 -3.974 152 HD11 LEU 22 HD11 LEU 22 1.119 5.508 -6.727 153 HD12 LEU 22 HD12 LEU 22 0.007 4.212 -6.285 154 HD13 LEU 22 HD13 LEU 22 1.738 4.020 -6.011 155 HD21 LEU 22 HD21 LEU 22 2.062 5.794 -2.969 156 HD22 LEU 22 HD22 LEU 22 2.545 6.526 -4.498 157 HD23 LEU 22 HD23 LEU 22 2.810 4.804 -4.223 158 H LEU 23 H LEU 23 -1.937 8.258 -6.892 159 HA LEU 23 HA LEU 23 -3.280 9.942 -4.917 160 HB2 LEU 23 HB3 LEU 23 -3.052 10.249 -7.931 161 HB3 LEU 23 HB2 LEU 23 -3.448 11.521 -6.798 162 HG LEU 23 HG LEU 23 -0.809 10.039 -7.039 163 HD11 LEU 23 HD11 LEU 23 0.039 12.008 -7.893 164 HD12 LEU 23 HD12 LEU 23 -1.046 13.021 -6.942 165 HD13 LEU 23 HD13 LEU 23 -1.633 12.232 -8.405 166 HD21 LEU 23 HD21 LEU 23 -1.044 10.250 -4.702 167 HD22 LEU 23 HD22 LEU 23 -1.910 11.782 -4.826 168 HD23 LEU 23 HD23 LEU 23 -0.177 11.720 -5.142 169 H LEU 24 H LEU 24 -4.369 8.368 -7.997 170 HA LEU 24 HA LEU 24 -7.124 8.914 -7.488 171 HB2 LEU 24 HB3 LEU 24 -7.664 7.157 -9.070 172 HB3 LEU 24 HB2 LEU 24 -6.316 8.109 -9.700 173 HG LEU 24 HG LEU 24 -4.942 6.178 -8.367 174 HD11 LEU 24 HD11 LEU 24 -7.331 4.727 -9.536 175 HD12 LEU 24 HD12 LEU 24 -7.183 5.063 -7.814 176 HD13 LEU 24 HD13 LEU 24 -5.998 4.035 -8.616 177 HD21 LEU 24 HD21 LEU 24 -4.851 5.007 -10.633 178 HD22 LEU 24 HD22 LEU 24 -4.490 6.732 -10.661 179 HD23 LEU 24 HD23 LEU 24 -6.073 6.156 -11.178 180 H LYS 25 H LYS 25 -5.036 6.145 -6.600 181 HA LYS 25 HA LYS 25 -6.967 4.513 -5.387 182 HB2 LYS 25 HB3 LYS 25 -4.100 5.141 -4.664 183 HB3 LYS 25 HB2 LYS 25 -5.055 4.044 -3.668 184 HG2 LYS 25 HG3 LYS 25 -5.366 2.513 -5.467 185 HG3 LYS 25 HG2 LYS 25 -4.826 3.688 -6.661 186 HD2 LYS 25 HD3 LYS 25 -2.557 3.526 -5.937 187 HD3 LYS 25 HD2 LYS 25 -3.011 2.672 -4.466 188 HE2 LYS 25 HE3 LYS 25 -3.328 0.660 -5.570 189 HE3 LYS 25 HE2 LYS 25 -3.762 1.442 -7.089 190 HZ1 LYS 25 HZ1 LYS 25 -1.404 2.179 -7.238 191 HZ2 LYS 25 HZ2 LYS 25 -1.622 0.498 -7.354 192 HZ3 LYS 25 HZ3 LYS 25 -1.056 1.186 -5.907 193 H SER 26 H SER 26 -5.287 7.345 -4.084 194 HA SER 26 HA SER 26 -6.696 7.414 -1.567 195 HB2 SER 26 HB3 SER 26 -4.467 8.614 -2.367 196 HB3 SER 26 HB2 SER 26 -5.570 9.868 -2.897 197 HG SER 26 HG SER 26 -6.225 9.006 -0.428 198 H LYS 27 H LYS 27 -8.065 7.512 -4.466 199 HA LYS 27 HA LYS 27 -9.395 9.914 -4.841 200 HB2 LYS 27 HB3 LYS 27 -11.406 8.417 -5.595 201 HB3 LYS 27 HB2 LYS 27 -9.896 8.365 -6.496 202 HG2 LYS 27 HG3 LYS 27 -9.446 6.217 -5.884 203 HG3 LYS 27 HG2 LYS 27 -10.050 6.449 -4.238 204 HD2 LYS 27 HD3 LYS 27 -11.507 4.889 -5.407 205 HD3 LYS 27 HD2 LYS 27 -12.384 6.399 -5.163 206 HE2 LYS 27 HE3 LYS 27 -11.822 7.110 -7.455 207 HE3 LYS 27 HE2 LYS 27 -10.920 5.615 -7.702 208 HZ1 LYS 27 HZ1 LYS 27 -13.398 4.851 -6.772 209 HZ2 LYS 27 HZ2 LYS 27 -12.814 4.707 -8.361 210 HZ3 LYS 27 HZ3 LYS 27 -13.713 6.075 -7.904 211 H GLY 28 H GLY 28 -10.543 7.278 -2.636 212 HA2 GLY 28 HA3 GLY 28 -11.284 8.537 -0.454 213 HA3 GLY 28 HA2 GLY 28 -12.462 9.265 -1.529 214 H THR 29 H THR 29 -11.799 6.063 -2.455 215 HA THR 29 HA THR 29 -13.692 4.850 -0.589 216 HB THR 29 HB THR 29 -14.927 4.321 -3.044 217 HG1 THR 29 HG1 THR 29 -15.407 6.630 -3.546 218 HG21 THR 29 HG21 THR 29 -15.788 6.396 -1.023 219 HG22 THR 29 HG22 THR 29 -15.945 4.662 -0.750 220 HG23 THR 29 HG23 THR 29 -16.825 5.429 -2.071 221 H CYS 30 H CYS 30 -13.760 2.577 -0.771 222 HA CYS 30 HA CYS 30 -11.462 1.262 -1.922 223 HB2 CYS 30 HB3 CYS 30 -12.616 0.310 0.030 224 HB3 CYS 30 HB2 CYS 30 -14.098 0.132 -0.906 225 H GLN 31 H GLN 31 -11.313 0.195 -3.945 226 HA GLN 31 HA GLN 31 -13.348 0.939 -5.897 227 HB2 GLN 31 HB3 GLN 31 -11.929 -0.256 -7.519 228 HB3 GLN 31 HB2 GLN 31 -11.002 0.897 -6.570 229 HG2 GLN 31 HG3 GLN 31 -9.649 -1.026 -6.548 230 HG3 GLN 31 HG2 GLN 31 -10.494 -1.115 -5.010 231 HE21 GLN 31 HE21 GLN 31 -12.587 -1.774 -7.663 232 HE22 GLN 31 HE22 GLN 31 -12.559 -3.466 -7.551 233 H SER 32 H SER 32 -13.028 -1.641 -3.735 234 HA SER 32 HA SER 32 -14.806 -3.353 -5.435 235 HB2 SER 32 HB3 SER 32 -12.933 -4.090 -3.173 236 HB3 SER 32 HB2 SER 32 -14.090 -5.208 -3.890 237 HG SER 32 HG SER 32 -11.900 -5.217 -4.791 238 H CYS 33 H CYS 33 -14.620 -1.417 -2.613 239 HA CYS 33 HA CYS 33 -17.276 -2.483 -1.727 240 HB2 CYS 33 HB3 CYS 33 -15.145 -1.323 0.090 241 HB3 CYS 33 HB2 CYS 33 -16.668 -2.047 0.578 242 H GLY 34 H GLY 34 -15.272 0.301 -2.438 243 HA2 GLY 34 HA3 GLY 34 -15.813 2.587 -2.476 244 HA3 GLY 34 HA2 GLY 34 -17.443 2.047 -2.879 245 H VAL 35 H VAL 35 -15.276 2.267 -0.060 246 HA VAL 35 HA VAL 35 -17.677 2.737 1.643 247 HB VAL 35 HB VAL 35 -16.045 2.131 3.525 248 HG11 VAL 35 HG11 VAL 35 -15.989 -0.355 2.203 249 HG12 VAL 35 HG12 VAL 35 -17.382 0.478 1.521 250 HG13 VAL 35 HG13 VAL 35 -17.265 0.242 3.263 251 HG21 VAL 35 HG21 VAL 35 -14.412 0.954 1.273 252 HG22 VAL 35 HG22 VAL 35 -13.973 1.142 2.971 253 HG23 VAL 35 HG23 VAL 35 -14.046 2.552 1.920 254 H THR 36 H THR 36 -14.374 4.091 1.055 255 HA THR 36 HA THR 36 -15.084 6.757 1.325 256 HB THR 36 HB THR 36 -15.943 6.631 3.504 257 HG1 THR 36 HG1 THR 36 -13.898 7.186 4.842 258 HG21 THR 36 HG21 THR 36 -14.035 4.378 3.738 259 HG22 THR 36 HG22 THR 36 -15.638 4.570 4.445 260 HG23 THR 36 HG23 THR 36 -14.243 5.328 5.209 261 H GLY 37 H GLY 37 -13.113 8.062 2.467 262 HA2 GLY 37 HA3 GLY 37 -10.692 6.994 1.150 263 HA3 GLY 37 HA2 GLY 37 -10.923 8.643 1.691 264 HA PRO 38 HA PRO 38 -8.879 8.256 5.503 265 HB2 PRO 38 HB3 PRO 38 -11.096 8.012 7.327 266 HB3 PRO 38 HB2 PRO 38 -10.057 9.412 7.033 267 HG2 PRO 38 HG3 PRO 38 -12.745 8.863 6.035 268 HG3 PRO 38 HG2 PRO 38 -11.850 10.390 6.068 269 HD2 PRO 38 HD3 PRO 38 -12.390 8.988 3.759 270 HD3 PRO 38 HD2 PRO 38 -11.009 10.090 3.938 271 H ASN 39 H ASN 39 -7.899 6.515 6.261 272 HA ASN 39 HA ASN 39 -7.553 4.376 7.147 273 HB2 ASN 39 HB3 ASN 39 -10.093 4.994 8.057 274 HB3 ASN 39 HB2 ASN 39 -10.352 3.494 7.169 275 HD21 ASN 39 HD21 ASN 39 -8.127 4.891 9.639 276 HD22 ASN 39 HD22 ASN 39 -7.891 3.427 10.466 277 H LEU 40 H LEU 40 -7.916 5.023 4.229 278 HA LEU 40 HA LEU 40 -9.103 2.561 3.144 279 HB2 LEU 40 HB3 LEU 40 -7.912 5.049 1.994 280 HB3 LEU 40 HB2 LEU 40 -7.822 3.601 1.005 281 HG LEU 40 HG LEU 40 -10.317 4.964 2.057 282 HD11 LEU 40 HD11 LEU 40 -9.148 5.784 -0.041 283 HD12 LEU 40 HD12 LEU 40 -10.812 5.257 -0.290 284 HD13 LEU 40 HD13 LEU 40 -9.479 4.207 -0.752 285 HD21 LEU 40 HD21 LEU 40 -11.318 3.007 0.510 286 HD22 LEU 40 HD22 LEU 40 -11.057 2.768 2.235 287 HD23 LEU 40 HD23 LEU 40 -9.873 2.168 1.071 288 H TRP 41 H TRP 41 -7.592 1.438 1.417 289 HA TRP 41 HA TRP 41 -4.767 1.355 2.089 290 HB2 TRP 41 HB3 TRP 41 -6.514 -0.302 3.604 291 HB3 TRP 41 HB2 TRP 41 -5.661 -1.356 2.483 292 HD1 TRP 41 HD TRP 41 -2.859 -0.250 2.317 293 HE1 TRP 41 HE1 TRP 41 -1.293 -0.118 4.362 294 HE3 TRP 41 HE3 TRP 41 -6.306 -0.383 6.082 295 HZ2 TRP 41 HZ2 TRP 41 -1.480 -0.073 7.217 296 HZ3 TRP 41 HZ3 TRP 41 -5.587 -0.295 8.451 297 HH2 TRP 41 HH2 TRP 41 -3.180 -0.140 9.022 298 H ALA 42 H ALA 42 -4.457 1.644 -0.131 299 HA ALA 42 HA ALA 42 -5.703 -0.271 -1.989 300 HB1 ALA 42 HB1 ALA 42 -4.606 1.130 -3.730 301 HB2 ALA 42 HB2 ALA 42 -3.868 2.093 -2.450 302 HB3 ALA 42 HB3 ALA 42 -5.621 2.080 -2.646 303 H CYS 43 H CYS 43 -4.608 -1.845 -3.098 304 HA CYS 43 HA CYS 43 -2.232 -2.960 -2.006 305 HB2 CYS 43 HB3 CYS 43 -4.042 -3.968 -3.632 306 HB3 CYS 43 HB2 CYS 43 -2.970 -3.361 -4.895 307 H LEU 44 H LEU 44 -0.042 -2.908 -2.873 308 HA LEU 44 HA LEU 44 0.459 -0.667 -4.782 309 HB2 LEU 44 HB3 LEU 44 0.796 -0.076 -2.304 310 HB3 LEU 44 HB2 LEU 44 2.188 -1.151 -2.361 311 HG LEU 44 HG LEU 44 3.009 0.191 -4.360 312 HD11 LEU 44 HD11 LEU 44 1.946 2.639 -4.148 313 HD12 LEU 44 HD12 LEU 44 0.532 1.711 -3.649 314 HD13 LEU 44 HD13 LEU 44 1.263 1.425 -5.228 315 HD21 LEU 44 HD21 LEU 44 3.787 2.100 -2.935 316 HD22 LEU 44 HD22 LEU 44 3.987 0.531 -2.156 317 HD23 LEU 44 HD23 LEU 44 2.652 1.583 -1.689 318 H GLN 45 H GLN 45 0.491 -3.387 -5.572 319 HA GLN 45 HA GLN 45 3.362 -4.134 -5.564 320 HB2 GLN 45 HB3 GLN 45 1.422 -5.732 -7.154 321 HB3 GLN 45 HB2 GLN 45 2.732 -6.268 -6.095 322 HG2 GLN 45 HG3 GLN 45 0.224 -4.980 -5.018 323 HG3 GLN 45 HG2 GLN 45 0.355 -6.712 -5.281 324 HE21 GLN 45 HE21 GLN 45 1.542 -4.026 -3.311 325 HE22 GLN 45 HE22 GLN 45 2.347 -4.985 -2.166 326 H VAL 46 H VAL 46 4.609 -4.202 -7.425 327 HA VAL 46 HA VAL 46 4.467 -2.228 -9.329 328 HB VAL 46 HB VAL 46 6.394 -3.751 -9.097 329 HG11 VAL 46 HG11 VAL 46 4.758 -5.743 -10.679 330 HG12 VAL 46 HG12 VAL 46 4.929 -5.821 -8.926 331 HG13 VAL 46 HG13 VAL 46 6.349 -5.988 -9.957 332 HG21 VAL 46 HG21 VAL 46 5.353 -3.930 -11.929 333 HG22 VAL 46 HG22 VAL 46 7.023 -3.752 -11.394 334 HG23 VAL 46 HG23 VAL 46 5.897 -2.406 -11.228 335 H ALA 47 H ALA 47 2.327 -4.962 -9.206 336 HA ALA 47 HA ALA 47 1.144 -4.032 -11.777 337 HB1 ALA 47 HB1 ALA 47 1.032 -6.244 -12.702 338 HB2 ALA 47 HB2 ALA 47 1.633 -6.961 -11.208 339 HB3 ALA 47 HB3 ALA 47 2.702 -5.974 -12.204 340 H CYS 48 H CYS 48 0.054 -3.529 -9.228 341 HA CYS 48 HA CYS 48 -2.451 -5.110 -9.470 342 HB2 CYS 48 HB3 CYS 48 -0.885 -6.043 -7.637 343 HB3 CYS 48 HB2 CYS 48 -1.278 -4.572 -6.748 344 HA PRO 49 HA PRO 49 -3.302 -0.654 -8.733 345 HB2 PRO 49 HB3 PRO 49 -4.719 -0.147 -10.972 346 HB3 PRO 49 HB2 PRO 49 -2.946 -0.206 -10.990 347 HG2 PRO 49 HG3 PRO 49 -4.914 -2.214 -11.945 348 HG3 PRO 49 HG2 PRO 49 -3.316 -1.801 -12.587 349 HD2 PRO 49 HD3 PRO 49 -3.907 -4.005 -10.918 350 HD3 PRO 49 HD2 PRO 49 -2.284 -3.382 -11.288 351 H TYR 50 H TYR 50 -4.766 -1.006 -7.027 352 HA TYR 50 HA TYR 50 -7.587 -0.877 -7.629 353 HB2 TYR 50 HB3 TYR 50 -6.431 -3.480 -6.591 354 HB3 TYR 50 HB2 TYR 50 -8.113 -3.029 -6.322 355 HD1 TYR 50 HD1 TYR 50 -5.968 -4.781 -8.468 356 HD2 TYR 50 HD2 TYR 50 -9.344 -2.124 -8.548 357 HE1 TYR 50 HE1 TYR 50 -6.551 -5.587 -10.739 358 HE2 TYR 50 HE2 TYR 50 -9.925 -2.931 -10.819 359 HH TYR 50 HH TYR 50 -8.880 -4.004 -12.709 360 H VAL 51 H VAL 51 -8.521 0.182 -5.864 361 HA VAL 51 HA VAL 51 -6.803 0.405 -3.457 362 HB VAL 51 HB VAL 51 -7.273 2.554 -4.267 363 HG11 VAL 51 HG11 VAL 51 -9.033 1.914 -5.860 364 HG12 VAL 51 HG12 VAL 51 -9.549 3.294 -4.892 365 HG13 VAL 51 HG13 VAL 51 -10.166 1.684 -4.530 366 HG21 VAL 51 HG21 VAL 51 -7.990 1.920 -1.765 367 HG22 VAL 51 HG22 VAL 51 -9.567 2.437 -2.361 368 HG23 VAL 51 HG23 VAL 51 -8.198 3.546 -2.413 369 H GLY 52 H GLY 52 -7.280 -1.136 -2.015 370 HA2 GLY 52 HA3 GLY 52 -10.034 -2.097 -1.700 371 HA3 GLY 52 HA2 GLY 52 -8.618 -2.723 -0.864 372 H CYS 53 H CYS 53 -10.408 -2.533 0.906 373 HA CYS 53 HA CYS 53 -10.585 0.203 2.054 374 HB2 CYS 53 HB3 CYS 53 -11.882 -1.402 3.830 375 HB3 CYS 53 HB2 CYS 53 -12.691 -0.663 2.473 376 H GLY 54 H GLY 54 -10.497 0.202 4.431 377 HA2 GLY 54 HA3 GLY 54 -8.273 -1.484 5.504 378 HA3 GLY 54 HA2 GLY 54 -8.522 0.210 5.985 379 H GLU 55 H GLU 55 -8.769 -1.981 7.882 380 HA GLU 55 HA GLU 55 -11.050 -3.211 8.493 381 HB2 GLU 55 HB3 GLU 55 -10.931 -2.547 10.788 382 HB3 GLU 55 HB2 GLU 55 -9.279 -2.571 10.178 383 HG2 GLU 55 HG3 GLU 55 -9.608 -0.073 9.674 384 HG3 GLU 55 HG2 GLU 55 -11.034 -0.177 10.706 385 H SER 56 H SER 56 -10.840 0.275 8.250 386 HA SER 56 HA SER 56 -13.156 1.357 9.094 387 HB2 SER 56 HB3 SER 56 -11.502 1.754 6.750 388 HB3 SER 56 HB2 SER 56 -13.179 2.063 6.355 389 HG SER 56 HG SER 56 -11.952 3.096 8.682 390 H PHE 57 H PHE 57 -12.918 -0.837 6.307 391 HA PHE 57 HA PHE 57 -15.888 -1.239 6.492 392 HB2 PHE 57 HB3 PHE 57 -15.257 -0.281 4.340 393 HB3 PHE 57 HB2 PHE 57 -14.100 -1.560 4.079 394 HD1 PHE 57 HD1 PHE 57 -17.703 -1.233 5.096 395 HD2 PHE 57 HD2 PHE 57 -14.801 -3.331 2.723 396 HE1 PHE 57 HE1 PHE 57 -19.496 -2.679 4.180 397 HE2 PHE 57 HE2 PHE 57 -16.595 -4.775 1.807 398 HZ PHE 57 HZ PHE 57 -18.942 -4.449 2.534 399 H ALA 58 H ALA 58 -13.788 -3.166 4.554 400 HA ALA 58 HA ALA 58 -14.102 -5.457 6.468 401 HB1 ALA 58 HB1 ALA 58 -14.209 -6.938 4.501 402 HB2 ALA 58 HB2 ALA 58 -14.056 -5.543 3.432 403 HB3 ALA 58 HB3 ALA 58 -15.496 -5.734 4.433 404 H ASP 59 H ASP 59 -11.984 -3.322 5.219 405 HA ASP 59 HA ASP 59 -9.668 -3.277 4.954 406 HB2 ASP 59 HB3 ASP 59 -9.606 -3.969 7.249 407 HB3 ASP 59 HB2 ASP 59 -9.978 -5.631 6.832 408 H HIS 60 H HIS 60 -10.457 -4.103 2.623 409 HA HIS 60 HA HIS 60 -10.082 -6.763 1.780 410 HB2 HIS 60 HB3 HIS 60 -9.906 -4.124 0.499 411 HB3 HIS 60 HB2 HIS 60 -8.846 -5.301 -0.246 412 HD2 HIS 60 HD2 HIS 60 -10.429 -7.866 -0.762 413 HE1 HIS 60 HE1 HIS 60 -13.878 -5.616 -1.671 414 HE2 HIS 60 HE2 HIS 60 -12.792 -7.896 -1.852 415 H SER 61 H SER 61 -7.861 -4.375 2.890 416 HA SER 61 HA SER 61 -5.364 -5.144 1.967 417 HB2 SER 61 HB3 SER 61 -6.169 -3.462 3.868 418 HB3 SER 61 HB2 SER 61 -5.671 -4.773 4.925 419 HG SER 61 HG SER 61 -4.148 -3.321 3.032 420 H THR 62 H THR 62 -7.436 -6.927 4.190 421 HA THR 62 HA THR 62 -5.299 -8.861 4.777 422 HB THR 62 HB THR 62 -7.316 -10.029 5.920 423 HG1 THR 62 HG1 THR 62 -9.071 -8.804 6.195 424 HG21 THR 62 HG21 THR 62 -7.185 -7.936 7.678 425 HG22 THR 62 HG22 THR 62 -5.733 -7.662 6.717 426 HG23 THR 62 HG23 THR 62 -5.960 -9.198 7.555 427 H ILE 63 H ILE 63 -8.673 -9.276 3.637 428 HA ILE 63 HA ILE 63 -8.217 -11.853 2.616 429 HB ILE 63 HB ILE 63 -10.223 -11.390 1.127 430 HG12 ILE 63 HG13 ILE 63 -10.361 -8.841 2.740 431 HG13 ILE 63 HG12 ILE 63 -9.652 -8.904 1.127 432 HG21 ILE 63 HG21 ILE 63 -10.334 -10.894 4.118 433 HG22 ILE 63 HG22 ILE 63 -10.531 -12.437 3.289 434 HG23 ILE 63 HG23 ILE 63 -11.762 -11.184 3.124 435 HD11 ILE 63 HD11 ILE 63 -12.426 -9.949 1.711 436 HD12 ILE 63 HD12 ILE 63 -11.712 -9.598 0.137 437 HD13 ILE 63 HD13 ILE 63 -12.131 -8.278 1.229 438 H HIS 64 H HIS 64 -7.700 -8.718 1.200 439 HA HIS 64 HA HIS 64 -7.211 -9.656 -1.492 440 HB2 HIS 64 HB3 HIS 64 -7.791 -7.284 -1.001 441 HB3 HIS 64 HB2 HIS 64 -6.240 -7.100 -0.179 442 HD1 HIS 64 HD1 HIS 64 -7.761 -6.876 -3.481 443 HD2 HIS 64 HD2 HIS 64 -3.956 -7.700 -1.991 444 HE1 HIS 64 HE1 HIS 64 -6.158 -6.631 -5.430 445 H ALA 65 H ALA 65 -5.124 -8.920 1.314 446 HA ALA 65 HA ALA 65 -2.686 -9.609 -0.180 447 HB1 ALA 65 HB1 ALA 65 -1.646 -9.567 2.132 448 HB2 ALA 65 HB2 ALA 65 -3.246 -9.206 2.780 449 HB3 ALA 65 HB3 ALA 65 -2.459 -8.067 1.686 450 H GLN 66 H GLN 66 -5.173 -11.121 1.488 451 HA GLN 66 HA GLN 66 -3.835 -13.616 2.190 452 HB2 GLN 66 HB3 GLN 66 -5.636 -12.789 3.549 453 HB3 GLN 66 HB2 GLN 66 -6.643 -12.565 2.146 454 HG2 GLN 66 HG3 GLN 66 -7.575 -14.521 2.755 455 HG3 GLN 66 HG2 GLN 66 -6.179 -15.236 1.948 456 HE21 GLN 66 HE21 GLN 66 -4.194 -15.592 3.437 457 HE22 GLN 66 HE22 GLN 66 -4.502 -16.033 5.048 458 H ALA 67 H ALA 67 -5.985 -12.434 -0.377 459 HA ALA 67 HA ALA 67 -6.206 -15.113 -1.565 460 HB1 ALA 67 HB1 ALA 67 -7.475 -12.450 -2.018 461 HB2 ALA 67 HB2 ALA 67 -8.225 -14.036 -1.858 462 HB3 ALA 67 HB3 ALA 67 -7.439 -13.582 -3.369 463 H LYS 68 H LYS 68 -4.844 -11.949 -2.410 464 HA LYS 68 HA LYS 68 -3.524 -13.151 -4.781 465 HB2 LYS 68 HB3 LYS 68 -3.582 -10.279 -3.813 466 HB3 LYS 68 HB2 LYS 68 -2.984 -10.846 -5.370 467 HG2 LYS 68 HG3 LYS 68 -5.123 -10.354 -6.057 468 HG3 LYS 68 HG2 LYS 68 -5.451 -11.964 -5.413 469 HD2 LYS 68 HD3 LYS 68 -6.184 -11.042 -3.301 470 HD3 LYS 68 HD2 LYS 68 -5.695 -9.425 -3.791 471 HE2 LYS 68 HE3 LYS 68 -7.400 -9.297 -5.452 472 HE3 LYS 68 HE2 LYS 68 -7.732 -11.026 -5.341 473 HZ1 LYS 68 HZ1 LYS 68 -9.390 -10.244 -4.031 474 HZ2 LYS 68 HZ2 LYS 68 -8.532 -8.857 -3.556 475 HZ3 LYS 68 HZ3 LYS 68 -8.181 -10.360 -2.847 476 H LYS 69 H LYS 69 -2.884 -12.984 -1.611 477 HA LYS 69 HA LYS 69 -0.943 -13.123 -0.331 478 HB2 LYS 69 HB3 LYS 69 -0.183 -14.180 -3.017 479 HB3 LYS 69 HB2 LYS 69 1.124 -13.844 -1.885 480 HG2 LYS 69 HG3 LYS 69 0.191 -16.201 -1.777 481 HG3 LYS 69 HG2 LYS 69 0.206 -15.332 -0.244 482 HD2 LYS 69 HD3 LYS 69 -2.102 -15.090 -0.196 483 HD3 LYS 69 HD2 LYS 69 -2.250 -15.126 -1.952 484 HE2 LYS 69 HE3 LYS 69 -1.427 -17.544 -0.329 485 HE3 LYS 69 HE2 LYS 69 -3.105 -17.195 -0.740 486 HZ1 LYS 69 HZ1 LYS 69 -2.202 -17.003 -3.120 487 HZ2 LYS 69 HZ2 LYS 69 -2.412 -18.552 -2.457 488 HZ3 LYS 69 HZ3 LYS 69 -0.862 -17.862 -2.533 489 H HIS 70 H HIS 70 -1.563 -10.560 -2.043 490 HA HIS 70 HA HIS 70 1.108 -9.379 -2.374 491 HB2 HIS 70 HB3 HIS 70 -1.666 -8.135 -2.363 492 HB3 HIS 70 HB2 HIS 70 -0.185 -7.250 -2.697 493 HD2 HIS 70 HD2 HIS 70 1.142 -9.782 -4.583 494 HE1 HIS 70 HE1 HIS 70 -2.151 -8.910 -7.072 495 HE2 HIS 70 HE2 HIS 70 0.107 -10.054 -6.958 496 H ASN 71 H ASN 71 2.315 -8.726 -0.623 497 HA ASN 71 HA ASN 71 0.945 -8.464 1.979 498 HB2 ASN 71 HB3 ASN 71 3.505 -8.065 2.613 499 HB3 ASN 71 HB2 ASN 71 2.850 -9.676 2.339 500 HD21 ASN 71 HD21 ASN 71 5.147 -7.351 1.183 501 HD22 ASN 71 HD22 ASN 71 5.652 -8.216 -0.187 502 H LEU 72 H LEU 72 2.929 -6.435 -0.172 503 HA LEU 72 HA LEU 72 2.772 -4.193 1.684 504 HB2 LEU 72 HB3 LEU 72 3.792 -4.412 -1.147 505 HB3 LEU 72 HB2 LEU 72 3.907 -2.951 -0.166 506 HG LEU 72 HG LEU 72 4.951 -5.617 0.792 507 HD11 LEU 72 HD11 LEU 72 7.215 -4.557 0.117 508 HD12 LEU 72 HD12 LEU 72 6.250 -3.520 -0.934 509 HD13 LEU 72 HD13 LEU 72 6.227 -5.266 -1.158 510 HD21 LEU 72 HD21 LEU 72 5.260 -2.723 1.618 511 HD22 LEU 72 HD22 LEU 72 6.454 -3.930 2.087 512 HD23 LEU 72 HD23 LEU 72 4.782 -4.101 2.608 513 H THR 73 H THR 73 1.368 -2.622 1.747 514 HA THR 73 HA THR 73 -0.244 -1.859 -0.604 515 HB THR 73 HB THR 73 -2.365 -2.154 0.438 516 HG1 THR 73 HG1 THR 73 -2.420 -2.834 2.689 517 HG21 THR 73 HG21 THR 73 -1.288 -4.291 -0.297 518 HG22 THR 73 HG22 THR 73 -2.464 -4.514 0.999 519 HG23 THR 73 HG23 THR 73 -0.738 -4.537 1.360 520 H VAL 74 H VAL 74 -1.243 0.357 -0.137 521 HA VAL 74 HA VAL 74 0.274 1.686 2.081 522 HB VAL 74 HB VAL 74 1.286 2.447 0.090 523 HG11 VAL 74 HG11 VAL 74 0.054 3.151 -1.881 524 HG12 VAL 74 HG12 VAL 74 -1.482 2.994 -1.029 525 HG13 VAL 74 HG13 VAL 74 -0.536 1.557 -1.412 526 HG21 VAL 74 HG21 VAL 74 0.861 4.782 0.136 527 HG22 VAL 74 HG22 VAL 74 0.407 4.225 1.745 528 HG23 VAL 74 HG23 VAL 74 -0.839 4.551 0.543 529 H ASN 75 H ASN 75 -0.893 2.682 3.555 530 HA ASN 75 HA ASN 75 -3.790 2.936 3.254 531 HB2 ASN 75 HB3 ASN 75 -2.492 2.359 5.418 532 HB3 ASN 75 HB2 ASN 75 -2.136 4.085 5.506 533 HD21 ASN 75 HD21 ASN 75 -3.822 2.644 7.421 534 HD22 ASN 75 HD22 ASN 75 -5.381 3.307 7.307 535 H LEU 76 H LEU 76 -4.283 4.527 1.776 536 HA LEU 76 HA LEU 76 -2.814 6.995 1.524 537 HB2 LEU 76 HB3 LEU 76 -5.690 6.541 0.711 538 HB3 LEU 76 HB2 LEU 76 -4.521 7.642 -0.012 539 HG LEU 76 HG LEU 76 -3.439 4.957 0.003 540 HD11 LEU 76 HD11 LEU 76 -4.994 3.792 -1.379 541 HD12 LEU 76 HD12 LEU 76 -6.017 5.216 -1.543 542 HD13 LEU 76 HD13 LEU 76 -5.901 4.387 0.007 543 HD21 LEU 76 HD21 LEU 76 -2.999 7.054 -1.511 544 HD22 LEU 76 HD22 LEU 76 -4.325 6.401 -2.469 545 HD23 LEU 76 HD23 LEU 76 -2.879 5.439 -2.202 546 H THR 77 H THR 77 -4.164 6.053 4.167 547 HA THR 77 HA THR 77 -5.781 8.457 4.791 548 HB THR 77 HB THR 77 -5.081 6.055 6.506 549 HG1 THR 77 HG1 THR 77 -6.634 6.215 4.425 550 HG21 THR 77 HG21 THR 77 -5.691 7.921 7.889 551 HG22 THR 77 HG22 THR 77 -7.104 6.871 7.792 552 HG23 THR 77 HG23 THR 77 -7.031 8.345 6.826 553 H THR 78 H THR 78 -2.792 6.807 5.701 554 HA THR 78 HA THR 78 -1.923 9.307 7.100 555 HB THR 78 HB THR 78 -0.927 6.506 7.683 556 HG1 THR 78 HG1 THR 78 -2.763 6.279 8.647 557 HG21 THR 78 HG21 THR 78 0.619 7.658 8.867 558 HG22 THR 78 HG22 THR 78 -0.691 8.189 9.919 559 HG23 THR 78 HG23 THR 78 -0.195 9.191 8.558 560 H PHE 79 H PHE 79 -1.299 7.179 4.518 561 HA PHE 79 HA PHE 79 0.334 7.354 2.836 562 HB2 PHE 79 HB3 PHE 79 1.914 9.350 4.422 563 HB3 PHE 79 HB2 PHE 79 1.671 9.247 2.680 564 HD1 PHE 79 HD1 PHE 79 -1.257 8.989 2.463 565 HD2 PHE 79 HD2 PHE 79 1.113 11.478 5.041 566 HE1 PHE 79 HE1 PHE 79 -3.130 10.605 2.626 567 HE2 PHE 79 HE2 PHE 79 -0.761 13.093 5.203 568 HZ PHE 79 HZ PHE 79 -2.882 12.657 3.996 569 H ARG 80 H ARG 80 0.556 5.248 4.388 570 HA ARG 80 HA ARG 80 3.484 4.902 4.688 571 HB2 ARG 80 HB3 ARG 80 2.540 3.362 6.777 572 HB3 ARG 80 HB2 ARG 80 3.320 4.929 6.960 573 HG2 ARG 80 HG3 ARG 80 1.314 6.027 7.364 574 HG3 ARG 80 HG2 ARG 80 0.371 4.887 6.402 575 HD2 ARG 80 HD3 ARG 80 0.624 3.175 8.120 576 HD3 ARG 80 HD2 ARG 80 1.632 4.249 9.082 577 HE ARG 80 HE ARG 80 -1.299 4.550 8.646 578 HH11 ARG 80 HH11 ARG 80 -2.314 5.777 10.237 579 HH12 ARG 80 HH12 ARG 80 -1.358 6.617 11.412 580 HH21 ARG 80 HH21 ARG 80 1.670 5.533 10.125 581 HH22 ARG 80 HH22 ARG 80 0.891 6.479 11.349 582 H LEU 81 H LEU 81 3.703 2.327 5.205 583 HA LEU 81 HA LEU 81 1.780 0.990 3.349 584 HB2 LEU 81 HB3 LEU 81 4.737 0.904 3.514 585 HB3 LEU 81 HB2 LEU 81 3.926 -0.580 3.060 586 HG LEU 81 HG LEU 81 3.016 1.894 1.701 587 HD11 LEU 81 HD11 LEU 81 5.360 2.384 1.651 588 HD12 LEU 81 HD12 LEU 81 4.954 1.715 0.070 589 HD13 LEU 81 HD13 LEU 81 5.765 0.710 1.272 590 HD21 LEU 81 HD21 LEU 81 2.219 0.359 0.238 591 HD22 LEU 81 HD22 LEU 81 2.812 -0.907 1.307 592 HD23 LEU 81 HD23 LEU 81 3.826 -0.318 -0.005 593 H TRP 82 H TRP 82 1.839 -1.408 3.641 594 HA TRP 82 HA TRP 82 2.353 -2.314 6.401 595 HB2 TRP 82 HB3 TRP 82 -0.143 -1.394 5.859 596 HB3 TRP 82 HB2 TRP 82 -0.316 -3.054 5.301 597 HD1 TRP 82 HD TRP 82 1.297 -1.379 8.401 598 HE1 TRP 82 HE1 TRP 82 0.621 -2.727 10.487 599 HE3 TRP 82 HE3 TRP 82 -1.574 -4.993 6.218 600 HZ2 TRP 82 HZ2 TRP 82 -0.935 -5.031 11.147 601 HZ3 TRP 82 HZ3 TRP 82 -2.644 -6.748 7.603 602 HH2 TRP 82 HH2 TRP 82 -2.327 -6.772 10.061 603 H CYS 83 H CYS 83 3.627 -4.052 5.952 604 HA CYS 83 HA CYS 83 3.191 -5.579 3.470 605 HB2 CYS 83 HB3 CYS 83 5.460 -4.834 4.725 606 HB3 CYS 83 HB2 CYS 83 5.231 -6.418 5.456 607 H TYR 84 H TYR 84 1.562 -7.128 3.646 608 HA TYR 84 HA TYR 84 0.958 -8.395 6.192 609 HB2 TYR 84 HB3 TYR 84 -0.493 -8.185 3.928 610 HB3 TYR 84 HB2 TYR 84 0.253 -9.754 3.606 611 HD1 TYR 84 HD1 TYR 84 -0.126 -11.671 5.118 612 HD2 TYR 84 HD2 TYR 84 -2.096 -7.903 5.709 613 HE1 TYR 84 HE1 TYR 84 -1.733 -12.755 6.665 614 HE2 TYR 84 HE2 TYR 84 -3.703 -8.984 7.256 615 HH TYR 84 HH TYR 84 -3.316 -11.574 8.793 616 H ALA 85 H ALA 85 3.602 -8.506 4.353 617 HA ALA 85 HA ALA 85 4.139 -11.399 4.738 618 HB1 ALA 85 HB1 ALA 85 4.784 -10.789 2.536 619 HB2 ALA 85 HB2 ALA 85 6.290 -10.766 3.446 620 HB3 ALA 85 HB3 ALA 85 5.466 -9.253 3.074 621 H CYS 86 H CYS 86 6.108 -8.389 4.980 622 HA CYS 86 HA CYS 86 7.664 -9.416 7.178 623 HB2 CYS 86 HB3 CYS 86 7.146 -6.510 6.435 624 HB3 CYS 86 HB2 CYS 86 8.489 -7.125 7.394 625 H GLU 87 H GLU 87 4.534 -8.410 6.744 626 HA GLU 87 HA GLU 87 2.787 -7.761 8.155 627 HB2 GLU 87 HB3 GLU 87 4.187 -10.034 9.170 628 HB3 GLU 87 HB2 GLU 87 3.635 -9.074 10.531 629 HG2 GLU 87 HG3 GLU 87 1.831 -9.824 8.228 630 HG3 GLU 87 HG2 GLU 87 1.976 -10.801 9.687 631 H LYS 88 H LYS 88 4.058 -5.594 8.001 632 HA LYS 88 HA LYS 88 4.060 -4.457 10.695 633 HB2 LYS 88 HB3 LYS 88 6.405 -3.461 10.317 634 HB3 LYS 88 HB2 LYS 88 6.330 -5.160 10.787 635 HG2 LYS 88 HG3 LYS 88 6.701 -5.897 8.552 636 HG3 LYS 88 HG2 LYS 88 6.413 -4.290 7.894 637 HD2 LYS 88 HD3 LYS 88 8.790 -4.601 7.887 638 HD3 LYS 88 HD2 LYS 88 8.436 -3.504 9.220 639 HE2 LYS 88 HE3 LYS 88 8.284 -6.235 10.162 640 HE3 LYS 88 HE2 LYS 88 9.827 -5.972 9.353 641 HZ1 LYS 88 HZ1 LYS 88 9.188 -5.214 11.894 642 HZ2 LYS 88 HZ2 LYS 88 9.091 -3.767 11.009 643 HZ3 LYS 88 HZ3 LYS 88 10.524 -4.678 10.996 644 H GLU 89 H GLU 89 4.986 -2.004 10.320 645 HA GLU 89 HA GLU 89 3.478 -0.988 7.947 646 HB2 GLU 89 HB3 GLU 89 2.945 -0.351 10.443 647 HB3 GLU 89 HB2 GLU 89 4.342 0.709 10.279 648 HG2 GLU 89 HG3 GLU 89 3.322 1.988 8.576 649 HG3 GLU 89 HG2 GLU 89 2.117 0.745 8.236 650 H VAL 90 H VAL 90 4.590 0.327 6.417 651 HA VAL 90 HA VAL 90 7.336 1.200 7.177 652 HB VAL 90 HB VAL 90 8.153 0.290 4.917 653 HG11 VAL 90 HG11 VAL 90 8.755 -0.679 7.112 654 HG12 VAL 90 HG12 VAL 90 8.586 -1.928 5.879 655 HG13 VAL 90 HG13 VAL 90 7.302 -1.678 7.061 656 HG21 VAL 90 HG21 VAL 90 5.378 -0.735 4.978 657 HG22 VAL 90 HG22 VAL 90 6.588 -1.965 4.629 658 HG23 VAL 90 HG23 VAL 90 6.474 -0.531 3.613 659 H PHE 91 H PHE 91 7.993 3.050 6.139 660 HA PHE 91 HA PHE 91 5.978 4.404 4.409 661 HB2 PHE 91 HB3 PHE 91 8.396 5.499 5.876 662 HB3 PHE 91 HB2 PHE 91 7.274 6.453 4.913 663 HD1 PHE 91 HD1 PHE 91 5.456 7.470 5.982 664 HD2 PHE 91 HD2 PHE 91 7.266 4.003 7.763 665 HE1 PHE 91 HE1 PHE 91 3.965 7.701 7.950 666 HE2 PHE 91 HE2 PHE 91 5.772 4.234 9.729 667 HZ PHE 91 HZ PHE 91 4.123 6.084 9.823 668 H LEU 92 H LEU 92 7.046 5.831 2.668 669 HA LEU 92 HA LEU 92 8.491 4.321 0.821 670 HB2 LEU 92 HB3 LEU 92 8.814 7.310 1.251 671 HB3 LEU 92 HB2 LEU 92 9.117 6.423 -0.242 672 HG LEU 92 HG LEU 92 6.418 6.563 1.133 673 HD11 LEU 92 HD11 LEU 92 7.179 8.775 0.273 674 HD12 LEU 92 HD12 LEU 92 5.792 8.149 -0.620 675 HD13 LEU 92 HD13 LEU 92 7.409 8.050 -1.319 676 HD21 LEU 92 HD21 LEU 92 6.462 4.613 -0.209 677 HD22 LEU 92 HD22 LEU 92 7.443 5.385 -1.455 678 HD23 LEU 92 HD23 LEU 92 5.746 5.828 -1.268 679 H GLU 93 H GLU 93 10.692 4.032 0.460 680 HA GLU 93 HA GLU 93 12.419 3.641 2.604 681 HB2 GLU 93 HB3 GLU 93 14.272 3.821 0.855 682 HB3 GLU 93 HB2 GLU 93 12.982 2.669 0.504 683 HG2 GLU 93 HG3 GLU 93 11.836 4.511 -0.817 684 HG3 GLU 93 HG2 GLU 93 13.316 5.454 -0.633 685 H GLN 94 H GLN 94 11.234 6.601 1.821 686 HA GLN 94 HA GLN 94 11.852 8.772 2.436 687 HB2 GLN 94 HB3 GLN 94 14.174 7.545 3.930 688 HB3 GLN 94 HB2 GLN 94 13.313 9.040 4.289 689 HG2 GLN 94 HG3 GLN 94 11.238 7.639 4.678 690 HG3 GLN 94 HG2 GLN 94 12.269 6.212 4.574 691 HE21 GLN 94 HE21 GLN 94 11.504 9.047 6.551 692 HE22 GLN 94 HE22 GLN 94 12.395 8.558 7.911 693 H ARG 95 H ARG 95 14.157 6.642 0.953 694 HA ARG 95 HA ARG 95 16.358 8.283 0.476 695 HB2 ARG 95 HB3 ARG 95 16.922 6.790 -1.190 696 HB3 ARG 95 HB2 ARG 95 15.644 5.856 -0.424 697 HG2 ARG 95 HG3 ARG 95 15.069 5.764 -2.697 698 HG3 ARG 95 HG2 ARG 95 14.049 7.060 -2.088 699 HD2 ARG 95 HD3 ARG 95 14.947 8.423 -3.650 700 HD3 ARG 95 HD2 ARG 95 16.505 8.279 -2.838 701 HE ARG 95 HE ARG 95 15.657 6.798 -5.243 702 HH11 ARG 95 HH11 ARG 95 17.307 5.629 -6.245 703 HH12 ARG 95 HH12 ARG 95 18.820 5.415 -5.428 704 HH21 ARG 95 HH21 ARG 95 17.862 7.201 -2.618 705 HH22 ARG 95 HH22 ARG 95 19.134 6.305 -3.377 706 H LEU 96 H LEU 96 13.145 8.481 -0.892 707 HA LEU 96 HA LEU 96 13.973 10.664 -2.720 708 HB2 LEU 96 HB3 LEU 96 11.567 10.590 -3.443 709 HB3 LEU 96 HB2 LEU 96 12.423 9.068 -3.665 710 HG LEU 96 HG LEU 96 11.446 8.743 -1.118 711 HD11 LEU 96 HD11 LEU 96 9.200 10.067 -2.647 712 HD12 LEU 96 HD12 LEU 96 10.192 10.958 -1.496 713 HD13 LEU 96 HD13 LEU 96 9.229 9.585 -0.951 714 HD21 LEU 96 HD21 LEU 96 9.577 7.444 -2.299 715 HD22 LEU 96 HD22 LEU 96 11.227 7.028 -2.762 716 HD23 LEU 96 HD23 LEU 96 10.250 8.055 -3.810 717 H ALA 97 H ALA 97 12.266 12.557 -2.731 718 HA ALA 97 HA ALA 97 11.746 13.370 0.109 719 HB1 ALA 97 HB1 ALA 97 13.621 14.666 -0.654 720 HB2 ALA 97 HB2 ALA 97 12.214 15.726 -0.712 721 HB3 ALA 97 HB3 ALA 97 12.836 15.006 -2.196 722 H ALA 98 H ALA 98 10.320 15.640 -0.268 723 HA ALA 98 HA ALA 98 8.175 16.415 -0.797 724 HB1 ALA 98 HB1 ALA 98 9.371 15.574 -3.225 725 HB2 ALA 98 HB2 ALA 98 8.010 16.678 -3.038 726 HB3 ALA 98 HB3 ALA 98 7.720 14.952 -3.257 727 HA PRO 99 HA PRO 99 5.395 13.254 0.529 728 HB2 PRO 99 HB3 PRO 99 2.992 14.131 -0.436 729 HB3 PRO 99 HB2 PRO 99 3.841 14.921 0.907 730 HG2 PRO 99 HG3 PRO 99 3.714 15.699 -1.967 731 HG3 PRO 99 HG2 PRO 99 3.652 16.718 -0.518 732 HD2 PRO 99 HD3 PRO 99 5.920 16.412 -2.029 733 HD3 PRO 99 HD2 PRO 99 5.954 16.759 -0.286 Start of MODEL 14 1 H1 MET 1 H1 MET 1 16.859 0.666 -1.216 2 HA MET 1 HA MET 1 15.468 -1.041 -2.613 3 HB2 MET 1 HB3 MET 1 18.048 -0.683 -4.171 4 HB3 MET 1 HB2 MET 1 16.874 -1.977 -4.419 5 HG2 MET 1 HG3 MET 1 16.364 -0.323 -6.064 6 HG3 MET 1 HG2 MET 1 15.139 -0.141 -4.808 7 HE1 MET 1 HE1 MET 1 14.826 1.833 -6.278 8 HE2 MET 1 HE2 MET 1 15.471 3.424 -5.884 9 HE3 MET 1 HE3 MET 1 14.474 2.570 -4.709 10 H GLY 2 H GLY 2 15.713 -2.165 -0.680 11 HA2 GLY 2 HA3 GLY 2 16.704 -3.905 0.592 12 HA3 GLY 2 HA2 GLY 2 18.149 -3.774 -0.411 13 H ASP 3 H ASP 3 18.398 -0.872 -0.013 14 HA ASP 3 HA ASP 3 19.799 -0.969 2.568 15 HB2 ASP 3 HB3 ASP 3 20.544 1.324 1.946 16 HB3 ASP 3 HB2 ASP 3 20.876 0.148 0.673 17 H SER 4 H SER 4 19.526 1.169 3.945 18 HA SER 4 HA SER 4 18.120 2.585 5.192 19 HB2 SER 4 HB3 SER 4 17.020 2.763 2.734 20 HB3 SER 4 HB2 SER 4 15.699 1.968 3.581 21 HG SER 4 HG SER 4 17.035 4.345 4.386 22 H ARG 5 H ARG 5 15.890 2.352 6.430 23 HA ARG 5 HA ARG 5 15.664 -0.520 7.255 24 HB2 ARG 5 HB3 ARG 5 14.540 1.520 9.069 25 HB3 ARG 5 HB2 ARG 5 15.607 0.163 9.430 26 HG2 ARG 5 HG3 ARG 5 17.508 1.470 8.449 27 HG3 ARG 5 HG2 ARG 5 16.416 2.843 8.270 28 HD2 ARG 5 HD3 ARG 5 15.933 2.494 10.807 29 HD3 ARG 5 HD2 ARG 5 17.431 1.562 10.800 30 HE ARG 5 HE ARG 5 18.622 3.588 10.557 31 HH11 ARG 5 HH11 ARG 5 18.742 5.837 10.368 32 HH12 ARG 5 HH12 ARG 5 17.315 6.738 9.981 33 HH21 ARG 5 HH21 ARG 5 15.274 3.939 9.815 34 HH22 ARG 5 HH22 ARG 5 15.351 5.663 9.668 35 H ASP 6 H ASP 6 13.754 2.479 6.917 36 HA ASP 6 HA ASP 6 11.171 1.482 7.231 37 HB2 ASP 6 HB3 ASP 6 12.359 3.811 6.148 38 HB3 ASP 6 HB2 ASP 6 11.261 3.215 4.906 39 H LEU 7 H LEU 7 13.378 1.017 4.548 40 HA LEU 7 HA LEU 7 11.532 0.060 2.621 41 HB2 LEU 7 HB3 LEU 7 13.389 -0.319 1.356 42 HB3 LEU 7 HB2 LEU 7 14.221 0.526 2.653 43 HG LEU 7 HG LEU 7 15.468 -1.457 2.218 44 HD11 LEU 7 HD11 LEU 7 14.249 -2.765 4.476 45 HD12 LEU 7 HD12 LEU 7 14.259 -1.021 4.735 46 HD13 LEU 7 HD13 LEU 7 15.761 -1.872 4.391 47 HD21 LEU 7 HD21 LEU 7 14.590 -3.377 1.445 48 HD22 LEU 7 HD22 LEU 7 13.035 -2.555 1.390 49 HD23 LEU 7 HD23 LEU 7 13.479 -3.510 2.804 50 H CYS 8 H CYS 8 11.093 -2.188 1.990 51 HA CYS 8 HA CYS 8 11.336 -4.139 4.245 52 HB2 CYS 8 HB3 CYS 8 9.082 -4.218 4.437 53 HB3 CYS 8 HB2 CYS 8 8.910 -3.014 3.164 54 HA PRO 9 HA PRO 9 13.025 -7.066 1.427 55 HB2 PRO 9 HB3 PRO 9 11.349 -9.270 1.820 56 HB3 PRO 9 HB2 PRO 9 12.707 -8.831 2.863 57 HG2 PRO 9 HG3 PRO 9 9.825 -8.202 3.181 58 HG3 PRO 9 HG2 PRO 9 10.963 -8.767 4.405 59 HD2 PRO 9 HD3 PRO 9 10.312 -6.195 4.329 60 HD3 PRO 9 HD2 PRO 9 12.021 -6.642 4.552 61 H HIS 10 H HIS 10 9.493 -7.486 1.391 62 HA HIS 10 HA HIS 10 9.448 -8.057 -1.472 63 HB2 HIS 10 HB3 HIS 10 6.961 -7.283 0.046 64 HB3 HIS 10 HB2 HIS 10 7.182 -8.515 -1.194 65 HD2 HIS 10 HD2 HIS 10 7.984 -11.029 -0.255 66 HE1 HIS 10 HE1 HIS 10 8.184 -10.010 3.832 67 HE2 HIS 10 HE2 HIS 10 8.284 -11.919 2.173 68 H LEU 11 H LEU 11 9.957 -5.279 0.172 69 HA LEU 11 HA LEU 11 8.230 -3.444 -1.240 70 HB2 LEU 11 HB3 LEU 11 9.467 -3.082 0.979 71 HB3 LEU 11 HB2 LEU 11 10.892 -2.767 0.000 72 HG LEU 11 HG LEU 11 8.448 -1.301 -0.830 73 HD11 LEU 11 HD11 LEU 11 9.087 0.442 1.038 74 HD12 LEU 11 HD12 LEU 11 9.680 -0.985 1.887 75 HD13 LEU 11 HD13 LEU 11 7.986 -0.885 1.410 76 HD21 LEU 11 HD21 LEU 11 10.011 0.410 -1.340 77 HD22 LEU 11 HD22 LEU 11 10.872 -1.086 -1.702 78 HD23 LEU 11 HD23 LEU 11 11.199 -0.223 -0.200 79 H ASP 12 H ASP 12 11.275 -4.968 -1.942 80 HA ASP 12 HA ASP 12 11.885 -3.106 -4.148 81 HB2 ASP 12 HB3 ASP 12 13.738 -4.048 -2.833 82 HB3 ASP 12 HB2 ASP 12 13.224 -5.680 -3.265 83 H SER 13 H SER 13 10.235 -6.099 -3.629 84 HA SER 13 HA SER 13 10.438 -7.005 -6.405 85 HB2 SER 13 HB3 SER 13 10.131 -8.510 -4.367 86 HB3 SER 13 HB2 SER 13 8.464 -7.947 -4.315 87 HG SER 13 HG SER 13 8.028 -9.077 -6.054 88 H ILE 14 H ILE 14 8.229 -5.041 -4.516 89 HA ILE 14 HA ILE 14 6.053 -5.214 -6.473 90 HB ILE 14 HB ILE 14 5.109 -3.324 -5.114 91 HG12 ILE 14 HG13 ILE 14 7.418 -3.799 -3.245 92 HG13 ILE 14 HG12 ILE 14 7.502 -2.547 -4.479 93 HG21 ILE 14 HG21 ILE 14 4.533 -4.725 -3.279 94 HG22 ILE 14 HG22 ILE 14 6.083 -5.562 -3.336 95 HG23 ILE 14 HG23 ILE 14 4.886 -5.845 -4.594 96 HD11 ILE 14 HD11 ILE 14 5.127 -2.705 -2.634 97 HD12 ILE 14 HD12 ILE 14 5.731 -1.321 -3.543 98 HD13 ILE 14 HD13 ILE 14 6.606 -1.891 -2.123 99 H GLY 15 H GLY 15 9.008 -3.521 -6.325 100 HA2 GLY 15 HA3 GLY 15 9.873 -1.753 -7.607 101 HA3 GLY 15 HA2 GLY 15 8.624 -2.163 -8.784 102 H GLU 16 H GLU 16 8.180 0.062 -9.244 103 HA GLU 16 HA GLU 16 6.653 1.450 -7.072 104 HB2 GLU 16 HB3 GLU 16 9.031 2.388 -7.714 105 HB3 GLU 16 HB2 GLU 16 8.195 3.011 -9.134 106 HG2 GLU 16 HG3 GLU 16 7.615 3.625 -6.226 107 HG3 GLU 16 HG2 GLU 16 8.099 4.756 -7.492 108 H VAL 17 H VAL 17 4.591 1.067 -7.858 109 HA VAL 17 HA VAL 17 3.882 1.022 -10.635 110 HB VAL 17 HB VAL 17 1.549 1.251 -9.815 111 HG11 VAL 17 HG11 VAL 17 3.126 -0.559 -7.972 112 HG12 VAL 17 HG12 VAL 17 2.869 -0.924 -9.679 113 HG13 VAL 17 HG13 VAL 17 1.491 -0.804 -8.586 114 HG21 VAL 17 HG21 VAL 17 1.775 2.856 -8.056 115 HG22 VAL 17 HG22 VAL 17 2.983 1.877 -7.224 116 HG23 VAL 17 HG23 VAL 17 1.300 1.350 -7.270 117 H THR 18 H THR 18 1.843 2.809 -11.062 118 HA THR 18 HA THR 18 3.256 5.254 -11.604 119 HB THR 18 HB THR 18 0.474 5.812 -11.606 120 HG1 THR 18 HG1 THR 18 0.640 3.324 -11.386 121 HG21 THR 18 HG21 THR 18 0.765 5.629 -14.075 122 HG22 THR 18 HG22 THR 18 2.344 4.890 -13.808 123 HG23 THR 18 HG23 THR 18 2.055 6.557 -13.310 124 H LYS 19 H LYS 19 3.539 7.025 -10.320 125 HA LYS 19 HA LYS 19 2.953 6.955 -7.535 126 HB2 LYS 19 HB3 LYS 19 3.041 9.688 -8.569 127 HB3 LYS 19 HB2 LYS 19 4.192 8.862 -7.518 128 HG2 LYS 19 HG3 LYS 19 4.849 7.626 -9.783 129 HG3 LYS 19 HG2 LYS 19 4.168 9.081 -10.505 130 HD2 LYS 19 HD3 LYS 19 6.348 9.798 -10.220 131 HD3 LYS 19 HD2 LYS 19 5.699 10.261 -8.647 132 HE2 LYS 19 HE3 LYS 19 6.415 7.967 -7.804 133 HE3 LYS 19 HE2 LYS 19 7.278 7.768 -9.327 134 HZ1 LYS 19 HZ1 LYS 19 8.934 8.968 -8.519 135 HZ2 LYS 19 HZ2 LYS 19 8.113 9.133 -7.040 136 HZ3 LYS 19 HZ3 LYS 19 7.898 10.288 -8.269 137 H GLU 20 H GLU 20 1.405 8.828 -10.129 138 HA GLU 20 HA GLU 20 -0.777 9.865 -8.807 139 HB2 GLU 20 HB3 GLU 20 -0.557 10.419 -11.081 140 HB3 GLU 20 HB2 GLU 20 -0.512 8.724 -11.569 141 HG2 GLU 20 HG3 GLU 20 -2.888 8.505 -10.784 142 HG3 GLU 20 HG2 GLU 20 -2.900 10.238 -10.467 143 H ASP 21 H ASP 21 -0.150 6.550 -9.786 144 HA ASP 21 HA ASP 21 -2.729 5.444 -9.406 145 HB2 ASP 21 HB3 ASP 21 -0.440 4.307 -10.097 146 HB3 ASP 21 HB2 ASP 21 -0.318 3.970 -8.372 147 H LEU 22 H LEU 22 -0.212 6.290 -7.091 148 HA LEU 22 HA LEU 22 -1.694 5.354 -4.777 149 HB2 LEU 22 HB3 LEU 22 0.698 7.169 -5.127 150 HB3 LEU 22 HB2 LEU 22 -0.016 6.863 -3.545 151 HG LEU 22 HG LEU 22 0.378 4.470 -3.779 152 HD11 LEU 22 HD11 LEU 22 1.213 5.277 -6.565 153 HD12 LEU 22 HD12 LEU 22 0.075 4.021 -6.076 154 HD13 LEU 22 HD13 LEU 22 1.804 3.783 -5.837 155 HD21 LEU 22 HD21 LEU 22 2.756 4.488 -3.584 156 HD22 LEU 22 HD22 LEU 22 2.239 6.086 -3.052 157 HD23 LEU 22 HD23 LEU 22 2.910 5.870 -4.669 158 H LEU 23 H LEU 23 -1.674 8.128 -6.766 159 HA LEU 23 HA LEU 23 -2.967 9.896 -4.830 160 HB2 LEU 23 HB3 LEU 23 -2.680 10.167 -7.843 161 HB3 LEU 23 HB2 LEU 23 -3.021 11.464 -6.720 162 HG LEU 23 HG LEU 23 -0.459 9.848 -6.941 163 HD11 LEU 23 HD11 LEU 23 -1.121 12.052 -8.325 164 HD12 LEU 23 HD12 LEU 23 0.514 11.810 -7.712 165 HD13 LEU 23 HD13 LEU 23 -0.611 12.847 -6.836 166 HD21 LEU 23 HD21 LEU 23 -0.719 10.052 -4.599 167 HD22 LEU 23 HD22 LEU 23 -1.480 11.640 -4.724 168 HD23 LEU 23 HD23 LEU 23 0.248 11.464 -5.023 169 H LEU 24 H LEU 24 -4.067 8.284 -7.886 170 HA LEU 24 HA LEU 24 -6.813 8.970 -7.416 171 HB2 LEU 24 HB3 LEU 24 -7.405 7.257 -9.023 172 HB3 LEU 24 HB2 LEU 24 -6.004 8.143 -9.627 173 HG LEU 24 HG LEU 24 -4.744 6.145 -8.284 174 HD11 LEU 24 HD11 LEU 24 -7.196 4.824 -9.482 175 HD12 LEU 24 HD12 LEU 24 -7.030 5.130 -7.756 176 HD13 LEU 24 HD13 LEU 24 -5.901 4.053 -8.570 177 HD21 LEU 24 HD21 LEU 24 -5.837 6.173 -11.110 178 HD22 LEU 24 HD22 LEU 24 -4.668 4.979 -10.548 179 HD23 LEU 24 HD23 LEU 24 -4.239 6.689 -10.572 180 H LYS 25 H LYS 25 -4.835 6.124 -6.526 181 HA LYS 25 HA LYS 25 -6.834 4.552 -5.335 182 HB2 LYS 25 HB3 LYS 25 -3.952 5.079 -4.594 183 HB3 LYS 25 HB2 LYS 25 -4.949 4.017 -3.606 184 HG2 LYS 25 HG3 LYS 25 -5.287 2.485 -5.383 185 HG3 LYS 25 HG2 LYS 25 -4.752 3.647 -6.595 186 HD2 LYS 25 HD3 LYS 25 -2.467 3.479 -5.869 187 HD3 LYS 25 HD2 LYS 25 -2.925 2.567 -4.436 188 HE2 LYS 25 HE3 LYS 25 -3.588 0.668 -5.765 189 HE3 LYS 25 HE2 LYS 25 -3.420 1.589 -7.258 190 HZ1 LYS 25 HZ1 LYS 25 -1.435 0.496 -7.204 191 HZ2 LYS 25 HZ2 LYS 25 -1.345 0.484 -5.508 192 HZ3 LYS 25 HZ3 LYS 25 -1.002 1.908 -6.369 193 H SER 26 H SER 26 -5.099 7.355 -4.051 194 HA SER 26 HA SER 26 -6.498 7.455 -1.524 195 HB2 SER 26 HB3 SER 26 -4.244 8.605 -2.310 196 HB3 SER 26 HB2 SER 26 -5.313 9.873 -2.874 197 HG SER 26 HG SER 26 -5.596 10.467 -0.885 198 H LYS 27 H LYS 27 -7.848 7.572 -4.432 199 HA LYS 27 HA LYS 27 -9.131 9.998 -4.813 200 HB2 LYS 27 HB3 LYS 27 -11.158 8.534 -5.591 201 HB3 LYS 27 HB2 LYS 27 -9.640 8.465 -6.478 202 HG2 LYS 27 HG3 LYS 27 -9.218 6.310 -5.860 203 HG3 LYS 27 HG2 LYS 27 -9.858 6.541 -4.227 204 HD2 LYS 27 HD3 LYS 27 -11.303 5.004 -5.444 205 HD3 LYS 27 HD2 LYS 27 -12.170 6.521 -5.206 206 HE2 LYS 27 HE3 LYS 27 -11.541 7.245 -7.478 207 HE3 LYS 27 HE2 LYS 27 -10.658 5.739 -7.718 208 HZ1 LYS 27 HZ1 LYS 27 -12.540 4.802 -8.363 209 HZ2 LYS 27 HZ2 LYS 27 -13.404 6.235 -8.063 210 HZ3 LYS 27 HZ3 LYS 27 -13.215 5.080 -6.832 211 H GLY 28 H GLY 28 -10.343 7.375 -2.623 212 HA2 GLY 28 HA3 GLY 28 -11.078 8.633 -0.442 213 HA3 GLY 28 HA2 GLY 28 -12.227 9.399 -1.524 214 H THR 29 H THR 29 -11.637 6.183 -2.473 215 HA THR 29 HA THR 29 -13.575 5.014 -0.624 216 HB THR 29 HB THR 29 -14.806 4.542 -3.099 217 HG1 THR 29 HG1 THR 29 -13.487 6.487 -3.640 218 HG21 THR 29 HG21 THR 29 -15.844 4.840 -0.818 219 HG22 THR 29 HG22 THR 29 -16.686 5.688 -2.114 220 HG23 THR 29 HG23 THR 29 -15.627 6.577 -1.020 221 H CYS 30 H CYS 30 -13.719 2.761 -0.803 222 HA CYS 30 HA CYS 30 -11.474 1.338 -1.904 223 HB2 CYS 30 HB3 CYS 30 -12.869 0.482 -0.007 224 HB3 CYS 30 HB2 CYS 30 -14.210 0.258 -1.128 225 H GLN 31 H GLN 31 -11.369 0.142 -3.898 226 HA GLN 31 HA GLN 31 -13.231 1.117 -5.942 227 HB2 GLN 31 HB3 GLN 31 -11.862 -0.265 -7.499 228 HB3 GLN 31 HB2 GLN 31 -10.914 0.905 -6.590 229 HG2 GLN 31 HG3 GLN 31 -9.656 -1.096 -6.466 230 HG3 GLN 31 HG2 GLN 31 -10.488 -1.017 -4.920 231 HE21 GLN 31 HE21 GLN 31 -10.140 -3.470 -4.978 232 HE22 GLN 31 HE22 GLN 31 -11.282 -4.413 -5.808 233 H SER 32 H SER 32 -13.115 -1.577 -3.846 234 HA SER 32 HA SER 32 -15.044 -3.050 -5.603 235 HB2 SER 32 HB3 SER 32 -13.121 -4.017 -3.485 236 HB3 SER 32 HB2 SER 32 -14.460 -5.009 -4.057 237 HG SER 32 HG SER 32 -13.276 -4.005 -6.182 238 H CYS 33 H CYS 33 -14.753 -1.209 -2.748 239 HA CYS 33 HA CYS 33 -17.420 -2.227 -1.838 240 HB2 CYS 33 HB3 CYS 33 -15.239 -1.157 -0.027 241 HB3 CYS 33 HB2 CYS 33 -16.774 -1.856 0.462 242 H GLY 34 H GLY 34 -15.414 0.538 -2.588 243 HA2 GLY 34 HA3 GLY 34 -15.933 2.837 -2.567 244 HA3 GLY 34 HA2 GLY 34 -17.592 2.316 -2.874 245 H VAL 35 H VAL 35 -15.259 2.441 -0.187 246 HA VAL 35 HA VAL 35 -17.522 2.842 1.697 247 HB VAL 35 HB VAL 35 -15.919 2.186 3.439 248 HG11 VAL 35 HG11 VAL 35 -16.368 0.526 0.993 249 HG12 VAL 35 HG12 VAL 35 -16.892 0.249 2.649 250 HG13 VAL 35 HG13 VAL 35 -15.225 -0.089 2.184 251 HG21 VAL 35 HG21 VAL 35 -13.856 3.100 2.689 252 HG22 VAL 35 HG22 VAL 35 -13.985 2.312 1.116 253 HG23 VAL 35 HG23 VAL 35 -13.643 1.359 2.556 254 H THR 36 H THR 36 -14.244 4.264 1.089 255 HA THR 36 HA THR 36 -14.963 6.941 1.221 256 HB THR 36 HB THR 36 -15.942 6.735 3.400 257 HG1 THR 36 HG1 THR 36 -14.874 8.390 4.051 258 HG21 THR 36 HG21 THR 36 -14.375 5.804 5.279 259 HG22 THR 36 HG22 THR 36 -13.535 5.014 3.946 260 HG23 THR 36 HG23 THR 36 -15.237 4.664 4.248 261 H GLY 37 H GLY 37 -12.990 8.252 2.407 262 HA2 GLY 37 HA3 GLY 37 -10.564 7.122 1.178 263 HA3 GLY 37 HA2 GLY 37 -10.751 8.760 1.766 264 HA PRO 38 HA PRO 38 -8.881 8.165 5.648 265 HB2 PRO 38 HB3 PRO 38 -11.180 7.863 7.361 266 HB3 PRO 38 HB2 PRO 38 -10.101 9.255 7.194 267 HG2 PRO 38 HG3 PRO 38 -12.752 8.822 6.049 268 HG3 PRO 38 HG2 PRO 38 -11.831 10.323 6.207 269 HD2 PRO 38 HD3 PRO 38 -12.290 9.072 3.799 270 HD3 PRO 38 HD2 PRO 38 -10.890 10.121 4.106 271 H ASN 39 H ASN 39 -7.960 6.369 6.343 272 HA ASN 39 HA ASN 39 -7.687 4.193 7.146 273 HB2 ASN 39 HB3 ASN 39 -10.193 4.779 8.036 274 HB3 ASN 39 HB2 ASN 39 -10.555 3.441 6.942 275 HD21 ASN 39 HD21 ASN 39 -8.639 1.605 7.240 276 HD22 ASN 39 HD22 ASN 39 -8.401 1.156 8.859 277 H LEU 40 H LEU 40 -7.955 4.986 4.216 278 HA LEU 40 HA LEU 40 -9.044 2.526 3.017 279 HB2 LEU 40 HB3 LEU 40 -7.832 5.044 1.934 280 HB3 LEU 40 HB2 LEU 40 -7.817 3.616 0.917 281 HG LEU 40 HG LEU 40 -10.236 5.052 2.047 282 HD11 LEU 40 HD11 LEU 40 -10.771 5.415 -0.275 283 HD12 LEU 40 HD12 LEU 40 -9.497 4.320 -0.791 284 HD13 LEU 40 HD13 LEU 40 -9.079 5.865 -0.059 285 HD21 LEU 40 HD21 LEU 40 -11.035 2.872 2.213 286 HD22 LEU 40 HD22 LEU 40 -9.931 2.265 0.979 287 HD23 LEU 40 HD23 LEU 40 -11.362 3.176 0.510 288 H TRP 41 H TRP 41 -7.552 1.325 1.461 289 HA TRP 41 HA TRP 41 -4.695 1.317 2.144 290 HB2 TRP 41 HB3 TRP 41 -6.381 -1.131 2.757 291 HB3 TRP 41 HB2 TRP 41 -4.635 -0.991 2.948 292 HD1 TRP 41 HD TRP 41 -7.880 0.546 4.326 293 HE1 TRP 41 HE1 TRP 41 -7.449 1.332 6.744 294 HE3 TRP 41 HE3 TRP 41 -2.886 -0.447 4.700 295 HZ2 TRP 41 HZ2 TRP 41 -5.278 1.508 8.593 296 HZ3 TRP 41 HZ3 TRP 41 -1.666 0.038 6.802 297 HH2 TRP 41 HH2 TRP 41 -2.853 1.010 8.746 298 H ALA 42 H ALA 42 -4.422 1.635 -0.111 299 HA ALA 42 HA ALA 42 -5.618 -0.310 -1.955 300 HB1 ALA 42 HB1 ALA 42 -4.503 1.060 -3.696 301 HB2 ALA 42 HB2 ALA 42 -3.742 2.018 -2.426 302 HB3 ALA 42 HB3 ALA 42 -5.493 2.041 -2.619 303 H CYS 43 H CYS 43 -4.539 -1.891 -3.051 304 HA CYS 43 HA CYS 43 -2.199 -3.059 -1.923 305 HB2 CYS 43 HB3 CYS 43 -4.042 -4.015 -3.558 306 HB3 CYS 43 HB2 CYS 43 -2.919 -3.483 -4.809 307 H LEU 44 H LEU 44 -0.009 -3.087 -2.780 308 HA LEU 44 HA LEU 44 0.583 -0.898 -4.724 309 HB2 LEU 44 HB3 LEU 44 0.948 -0.234 -2.292 310 HB3 LEU 44 HB2 LEU 44 2.239 -1.430 -2.255 311 HG LEU 44 HG LEU 44 3.109 -0.198 -4.399 312 HD11 LEU 44 HD11 LEU 44 1.238 1.841 -3.173 313 HD12 LEU 44 HD12 LEU 44 1.251 1.259 -4.836 314 HD13 LEU 44 HD13 LEU 44 2.564 2.275 -4.247 315 HD21 LEU 44 HD21 LEU 44 3.242 1.171 -1.695 316 HD22 LEU 44 HD22 LEU 44 4.419 1.320 -3.000 317 HD23 LEU 44 HD23 LEU 44 4.220 -0.220 -2.165 318 H GLN 45 H GLN 45 0.498 -3.594 -5.514 319 HA GLN 45 HA GLN 45 3.320 -4.496 -5.458 320 HB2 GLN 45 HB3 GLN 45 1.294 -5.970 -7.067 321 HB3 GLN 45 HB2 GLN 45 2.596 -6.588 -6.040 322 HG2 GLN 45 HG3 GLN 45 0.149 -5.206 -4.928 323 HG3 GLN 45 HG2 GLN 45 0.247 -6.945 -5.158 324 HE21 GLN 45 HE21 GLN 45 2.049 -8.089 -3.963 325 HE22 GLN 45 HE22 GLN 45 2.626 -7.420 -2.514 326 H VAL 46 H VAL 46 4.567 -4.702 -7.313 327 HA VAL 46 HA VAL 46 4.679 -2.717 -9.185 328 HB VAL 46 HB VAL 46 6.307 -4.642 -8.887 329 HG11 VAL 46 HG11 VAL 46 4.433 -6.361 -9.286 330 HG12 VAL 46 HG12 VAL 46 5.979 -6.666 -10.079 331 HG13 VAL 46 HG13 VAL 46 4.632 -5.999 -11.000 332 HG21 VAL 46 HG21 VAL 46 7.126 -4.479 -11.175 333 HG22 VAL 46 HG22 VAL 46 6.468 -2.915 -10.694 334 HG23 VAL 46 HG23 VAL 46 5.533 -3.980 -11.743 335 H ALA 47 H ALA 47 2.234 -5.215 -9.180 336 HA ALA 47 HA ALA 47 1.120 -3.975 -11.639 337 HB1 ALA 47 HB1 ALA 47 0.682 -6.287 -12.575 338 HB2 ALA 47 HB2 ALA 47 1.788 -6.909 -11.351 339 HB3 ALA 47 HB3 ALA 47 2.373 -5.786 -12.579 340 H CYS 48 H CYS 48 0.070 -3.677 -9.050 341 HA CYS 48 HA CYS 48 -2.495 -5.162 -9.385 342 HB2 CYS 48 HB3 CYS 48 -0.984 -6.186 -7.577 343 HB3 CYS 48 HB2 CYS 48 -1.285 -4.708 -6.661 344 HA PRO 49 HA PRO 49 -3.266 -0.709 -8.542 345 HB2 PRO 49 HB3 PRO 49 -4.693 -0.129 -10.759 346 HB3 PRO 49 HB2 PRO 49 -2.920 -0.211 -10.790 347 HG2 PRO 49 HG3 PRO 49 -4.921 -2.171 -11.777 348 HG3 PRO 49 HG2 PRO 49 -3.324 -1.762 -12.423 349 HD2 PRO 49 HD3 PRO 49 -3.926 -3.999 -10.806 350 HD3 PRO 49 HD2 PRO 49 -2.298 -3.382 -11.165 351 H TYR 50 H TYR 50 -4.728 -1.072 -6.832 352 HA TYR 50 HA TYR 50 -7.555 -0.936 -7.446 353 HB2 TYR 50 HB3 TYR 50 -6.405 -3.502 -6.309 354 HB3 TYR 50 HB2 TYR 50 -8.102 -3.059 -6.139 355 HD1 TYR 50 HD1 TYR 50 -5.699 -4.663 -8.220 356 HD2 TYR 50 HD2 TYR 50 -9.360 -2.420 -8.348 357 HE1 TYR 50 HE1 TYR 50 -6.157 -5.541 -10.493 358 HE2 TYR 50 HE2 TYR 50 -9.819 -3.299 -10.620 359 HH TYR 50 HH TYR 50 -8.227 -5.923 -11.931 360 H VAL 51 H VAL 51 -8.508 0.146 -5.718 361 HA VAL 51 HA VAL 51 -6.826 0.434 -3.288 362 HB VAL 51 HB VAL 51 -7.289 2.557 -4.189 363 HG11 VAL 51 HG11 VAL 51 -10.143 1.583 -4.486 364 HG12 VAL 51 HG12 VAL 51 -9.012 1.982 -5.778 365 HG13 VAL 51 HG13 VAL 51 -9.646 3.256 -4.736 366 HG21 VAL 51 HG21 VAL 51 -8.035 1.973 -1.661 367 HG22 VAL 51 HG22 VAL 51 -9.581 2.543 -2.289 368 HG23 VAL 51 HG23 VAL 51 -8.165 3.591 -2.347 369 H GLY 52 H GLY 52 -7.331 -1.074 -1.811 370 HA2 GLY 52 HA3 GLY 52 -10.095 -2.035 -1.544 371 HA3 GLY 52 HA2 GLY 52 -8.696 -2.677 -0.701 372 H CYS 53 H CYS 53 -10.525 -2.525 1.020 373 HA CYS 53 HA CYS 53 -10.725 0.169 2.262 374 HB2 CYS 53 HB3 CYS 53 -12.108 -1.517 3.913 375 HB3 CYS 53 HB2 CYS 53 -12.854 -0.670 2.583 376 H GLY 54 H GLY 54 -10.758 0.066 4.654 377 HA2 GLY 54 HA3 GLY 54 -8.585 -1.665 5.767 378 HA3 GLY 54 HA2 GLY 54 -8.864 0.007 6.302 379 H GLU 55 H GLU 55 -9.183 -2.275 8.087 380 HA GLU 55 HA GLU 55 -11.527 -3.480 8.543 381 HB2 GLU 55 HB3 GLU 55 -11.467 -2.935 10.883 382 HB3 GLU 55 HB2 GLU 55 -9.799 -3.028 10.323 383 HG2 GLU 55 HG3 GLU 55 -9.960 -0.493 9.939 384 HG3 GLU 55 HG2 GLU 55 -11.431 -0.559 10.912 385 H SER 56 H SER 56 -11.156 -0.012 8.519 386 HA SER 56 HA SER 56 -13.449 1.139 9.332 387 HB2 SER 56 HB3 SER 56 -11.726 1.517 6.995 388 HB3 SER 56 HB2 SER 56 -13.367 2.063 6.702 389 HG SER 56 HG SER 56 -13.195 3.511 8.298 390 H PHE 57 H PHE 57 -13.194 -0.908 6.431 391 HA PHE 57 HA PHE 57 -16.184 -1.185 6.481 392 HB2 PHE 57 HB3 PHE 57 -15.417 -0.098 4.432 393 HB3 PHE 57 HB2 PHE 57 -14.323 -1.419 4.115 394 HD1 PHE 57 HD1 PHE 57 -17.937 -0.859 4.937 395 HD2 PHE 57 HD2 PHE 57 -15.058 -3.138 2.707 396 HE1 PHE 57 HE1 PHE 57 -19.776 -2.122 3.853 397 HE2 PHE 57 HE2 PHE 57 -16.898 -4.400 1.624 398 HZ PHE 57 HZ PHE 57 -19.256 -3.892 2.197 399 H ALA 58 H ALA 58 -14.063 -3.056 4.495 400 HA ALA 58 HA ALA 58 -14.566 -5.462 6.220 401 HB1 ALA 58 HB1 ALA 58 -14.759 -6.801 4.226 402 HB2 ALA 58 HB2 ALA 58 -14.248 -5.457 3.206 403 HB3 ALA 58 HB3 ALA 58 -15.818 -5.407 4.010 404 H ASP 59 H ASP 59 -12.285 -3.348 5.207 405 HA ASP 59 HA ASP 59 -9.959 -3.401 5.054 406 HB2 ASP 59 HB3 ASP 59 -10.085 -4.218 7.325 407 HB3 ASP 59 HB2 ASP 59 -10.418 -5.849 6.776 408 H HIS 60 H HIS 60 -10.737 -4.144 2.655 409 HA HIS 60 HA HIS 60 -10.351 -6.792 1.766 410 HB2 HIS 60 HB3 HIS 60 -10.114 -4.123 0.538 411 HB3 HIS 60 HB2 HIS 60 -9.110 -5.334 -0.229 412 HD2 HIS 60 HD2 HIS 60 -10.935 -7.890 -0.460 413 HE1 HIS 60 HE1 HIS 60 -14.046 -5.400 -1.846 414 HE2 HIS 60 HE2 HIS 60 -13.221 -7.789 -1.704 415 H SER 61 H SER 61 -8.174 -4.497 3.086 416 HA SER 61 HA SER 61 -5.648 -5.209 2.155 417 HB2 SER 61 HB3 SER 61 -6.462 -3.616 4.110 418 HB3 SER 61 HB2 SER 61 -6.065 -4.996 5.121 419 HG SER 61 HG SER 61 -4.287 -3.557 4.787 420 H THR 62 H THR 62 -7.772 -7.067 4.281 421 HA THR 62 HA THR 62 -5.674 -9.078 4.730 422 HB THR 62 HB THR 62 -7.707 -10.261 5.843 423 HG1 THR 62 HG1 THR 62 -9.470 -9.142 5.910 424 HG21 THR 62 HG21 THR 62 -7.440 -8.618 7.842 425 HG22 THR 62 HG22 THR 62 -6.272 -7.797 6.806 426 HG23 THR 62 HG23 THR 62 -6.012 -9.479 7.269 427 H ILE 63 H ILE 63 -9.070 -9.340 3.607 428 HA ILE 63 HA ILE 63 -8.743 -11.856 2.433 429 HB ILE 63 HB ILE 63 -10.568 -10.371 0.789 430 HG12 ILE 63 HG13 ILE 63 -11.125 -10.065 3.747 431 HG13 ILE 63 HG12 ILE 63 -10.346 -8.793 2.816 432 HG21 ILE 63 HG21 ILE 63 -11.073 -12.298 3.074 433 HG22 ILE 63 HG22 ILE 63 -10.695 -12.778 1.420 434 HG23 ILE 63 HG23 ILE 63 -12.190 -11.907 1.765 435 HD11 ILE 63 HD11 ILE 63 -12.964 -10.038 1.971 436 HD12 ILE 63 HD12 ILE 63 -12.234 -8.547 1.376 437 HD13 ILE 63 HD13 ILE 63 -12.883 -8.617 3.014 438 H HIS 64 H HIS 64 -7.850 -8.724 1.256 439 HA HIS 64 HA HIS 64 -7.402 -9.554 -1.495 440 HB2 HIS 64 HB3 HIS 64 -7.804 -7.166 -0.828 441 HB3 HIS 64 HB2 HIS 64 -6.215 -7.163 -0.057 442 HD1 HIS 64 HD1 HIS 64 -7.760 -6.388 -3.199 443 HD2 HIS 64 HD2 HIS 64 -4.126 -8.088 -2.070 444 HE1 HIS 64 HE1 HIS 64 -6.232 -6.220 -5.215 445 H ALA 65 H ALA 65 -5.293 -9.060 1.365 446 HA ALA 65 HA ALA 65 -2.914 -9.912 -0.125 447 HB1 ALA 65 HB1 ALA 65 -1.896 -10.061 2.182 448 HB2 ALA 65 HB2 ALA 65 -3.470 -9.635 2.852 449 HB3 ALA 65 HB3 ALA 65 -2.605 -8.485 1.834 450 H GLN 66 H GLN 66 -5.543 -11.254 1.467 451 HA GLN 66 HA GLN 66 -4.451 -13.921 1.975 452 HB2 GLN 66 HB3 GLN 66 -6.102 -12.993 3.470 453 HB3 GLN 66 HB2 GLN 66 -7.145 -12.600 2.126 454 HG2 GLN 66 HG3 GLN 66 -8.128 -14.511 3.035 455 HG3 GLN 66 HG2 GLN 66 -7.227 -15.124 1.649 456 HE21 GLN 66 HE21 GLN 66 -5.664 -16.727 2.069 457 HE22 GLN 66 HE22 GLN 66 -5.135 -17.165 3.621 458 H ALA 67 H ALA 67 -6.363 -12.258 -0.464 459 HA ALA 67 HA ALA 67 -7.122 -14.756 -1.804 460 HB1 ALA 67 HB1 ALA 67 -8.835 -13.163 -1.915 461 HB2 ALA 67 HB2 ALA 67 -8.078 -13.031 -3.501 462 HB3 ALA 67 HB3 ALA 67 -7.715 -11.844 -2.249 463 H LYS 68 H LYS 68 -4.992 -11.984 -2.374 464 HA LYS 68 HA LYS 68 -3.885 -13.403 -4.768 465 HB2 LYS 68 HB3 LYS 68 -3.751 -10.479 -3.998 466 HB3 LYS 68 HB2 LYS 68 -3.078 -11.188 -5.459 467 HG2 LYS 68 HG3 LYS 68 -5.088 -10.770 -6.437 468 HG3 LYS 68 HG2 LYS 68 -5.700 -12.116 -5.477 469 HD2 LYS 68 HD3 LYS 68 -6.626 -10.722 -3.855 470 HD3 LYS 68 HD2 LYS 68 -5.561 -9.382 -4.250 471 HE2 LYS 68 HE3 LYS 68 -7.731 -10.425 -6.086 472 HE3 LYS 68 HE2 LYS 68 -7.910 -9.023 -5.031 473 HZ1 LYS 68 HZ1 LYS 68 -6.900 -7.783 -6.537 474 HZ2 LYS 68 HZ2 LYS 68 -6.778 -9.123 -7.576 475 HZ3 LYS 68 HZ3 LYS 68 -5.523 -8.772 -6.484 476 H LYS 69 H LYS 69 -3.273 -13.048 -1.603 477 HA LYS 69 HA LYS 69 -1.368 -13.315 -0.291 478 HB2 LYS 69 HB3 LYS 69 -0.585 -14.465 -2.931 479 HB3 LYS 69 HB2 LYS 69 0.703 -14.162 -1.768 480 HG2 LYS 69 HG3 LYS 69 -0.329 -16.469 -1.629 481 HG3 LYS 69 HG2 LYS 69 -0.348 -15.560 -0.118 482 HD2 LYS 69 HD3 LYS 69 -2.646 -15.202 -0.198 483 HD3 LYS 69 HD2 LYS 69 -2.711 -15.329 -1.955 484 HE2 LYS 69 HE3 LYS 69 -3.729 -17.299 -0.813 485 HE3 LYS 69 HE2 LYS 69 -2.359 -17.741 -1.832 486 HZ1 LYS 69 HZ1 LYS 69 -2.170 -17.237 1.086 487 HZ2 LYS 69 HZ2 LYS 69 -0.948 -17.841 0.071 488 HZ3 LYS 69 HZ3 LYS 69 -2.326 -18.779 0.398 489 H HIS 70 H HIS 70 -1.823 -10.753 -2.064 490 HA HIS 70 HA HIS 70 0.897 -9.695 -2.359 491 HB2 HIS 70 HB3 HIS 70 -1.799 -8.287 -2.316 492 HB3 HIS 70 HB2 HIS 70 -0.268 -7.517 -2.703 493 HD2 HIS 70 HD2 HIS 70 0.754 -10.256 -4.553 494 HE1 HIS 70 HE1 HIS 70 -2.426 -8.997 -7.025 495 HE2 HIS 70 HE2 HIS 70 -0.330 -10.418 -6.917 496 H ASN 71 H ASN 71 2.127 -8.951 -0.651 497 HA ASN 71 HA ASN 71 0.801 -8.738 1.982 498 HB2 ASN 71 HB3 ASN 71 3.317 -8.375 2.639 499 HB3 ASN 71 HB2 ASN 71 2.732 -9.978 2.200 500 HD21 ASN 71 HD21 ASN 71 4.067 -11.008 0.719 501 HD22 ASN 71 HD22 ASN 71 5.005 -10.229 -0.462 502 H LEU 72 H LEU 72 2.751 -6.677 -0.180 503 HA LEU 72 HA LEU 72 2.582 -4.449 1.700 504 HB2 LEU 72 HB3 LEU 72 3.665 -4.663 -1.105 505 HB3 LEU 72 HB2 LEU 72 3.752 -3.198 -0.128 506 HG LEU 72 HG LEU 72 4.786 -5.855 0.865 507 HD11 LEU 72 HD11 LEU 72 6.122 -3.756 -0.832 508 HD12 LEU 72 HD12 LEU 72 6.092 -5.501 -1.070 509 HD13 LEU 72 HD13 LEU 72 7.059 -4.805 0.230 510 HD21 LEU 72 HD21 LEU 72 4.559 -4.316 2.663 511 HD22 LEU 72 HD22 LEU 72 5.087 -2.956 1.677 512 HD23 LEU 72 HD23 LEU 72 6.251 -4.173 2.192 513 H THR 73 H THR 73 1.305 -2.762 1.672 514 HA THR 73 HA THR 73 -0.296 -2.004 -0.671 515 HB THR 73 HB THR 73 -1.793 -3.622 0.452 516 HG1 THR 73 HG1 THR 73 -2.663 -1.042 1.183 517 HG21 THR 73 HG21 THR 73 -0.639 -3.293 2.706 518 HG22 THR 73 HG22 THR 73 -2.395 -3.439 2.749 519 HG23 THR 73 HG23 THR 73 -1.639 -1.852 2.893 520 H VAL 74 H VAL 74 -1.277 0.248 -0.170 521 HA VAL 74 HA VAL 74 0.355 1.546 1.985 522 HB VAL 74 HB VAL 74 1.295 2.271 -0.055 523 HG11 VAL 74 HG11 VAL 74 -1.571 2.680 -0.976 524 HG12 VAL 74 HG12 VAL 74 -0.436 1.474 -1.577 525 HG13 VAL 74 HG13 VAL 74 -0.153 3.185 -1.893 526 HG21 VAL 74 HG21 VAL 74 0.564 4.070 1.642 527 HG22 VAL 74 HG22 VAL 74 -0.747 4.431 0.520 528 HG23 VAL 74 HG23 VAL 74 0.929 4.622 0.008 529 H ASN 75 H ASN 75 -0.672 2.728 3.441 530 HA ASN 75 HA ASN 75 -3.598 2.939 3.321 531 HB2 ASN 75 HB3 ASN 75 -2.208 2.359 5.403 532 HB3 ASN 75 HB2 ASN 75 -1.783 4.068 5.456 533 HD21 ASN 75 HD21 ASN 75 -3.183 3.280 7.637 534 HD22 ASN 75 HD22 ASN 75 -4.809 3.759 7.553 535 H LEU 76 H LEU 76 -4.159 4.531 1.852 536 HA LEU 76 HA LEU 76 -2.734 7.030 1.596 537 HB2 LEU 76 HB3 LEU 76 -5.603 6.511 0.798 538 HB3 LEU 76 HB2 LEU 76 -4.455 7.621 0.057 539 HG LEU 76 HG LEU 76 -3.363 4.928 0.099 540 HD11 LEU 76 HD11 LEU 76 -4.901 3.788 -1.333 541 HD12 LEU 76 HD12 LEU 76 -5.917 5.219 -1.483 542 HD13 LEU 76 HD13 LEU 76 -5.818 4.364 0.055 543 HD21 LEU 76 HD21 LEU 76 -2.756 5.408 -2.093 544 HD22 LEU 76 HD22 LEU 76 -2.870 7.022 -1.397 545 HD23 LEU 76 HD23 LEU 76 -4.187 6.391 -2.383 546 H THR 77 H THR 77 -4.234 5.924 4.176 547 HA THR 77 HA THR 77 -5.812 8.328 4.868 548 HB THR 77 HB THR 77 -5.183 5.835 6.476 549 HG1 THR 77 HG1 THR 77 -6.458 5.340 4.735 550 HG21 THR 77 HG21 THR 77 -5.698 7.653 7.960 551 HG22 THR 77 HG22 THR 77 -7.145 6.656 7.838 552 HG23 THR 77 HG23 THR 77 -7.041 8.173 6.946 553 H THR 78 H THR 78 -2.856 6.626 5.773 554 HA THR 78 HA THR 78 -2.013 9.038 7.336 555 HB THR 78 HB THR 78 -1.070 6.189 7.718 556 HG1 THR 78 HG1 THR 78 -2.781 7.646 9.420 557 HG21 THR 78 HG21 THR 78 -0.695 8.745 9.298 558 HG22 THR 78 HG22 THR 78 0.556 7.805 8.486 559 HG23 THR 78 HG23 THR 78 -0.262 7.146 9.902 560 H PHE 79 H PHE 79 -1.293 7.026 4.657 561 HA PHE 79 HA PHE 79 0.353 7.355 3.008 562 HB2 PHE 79 HB3 PHE 79 0.372 9.777 4.244 563 HB3 PHE 79 HB2 PHE 79 2.005 9.230 4.617 564 HD1 PHE 79 HD1 PHE 79 3.147 7.954 2.468 565 HD2 PHE 79 HD2 PHE 79 0.152 11.030 2.299 566 HE1 PHE 79 HE1 PHE 79 3.856 8.519 0.161 567 HE2 PHE 79 HE2 PHE 79 0.863 11.593 -0.009 568 HZ PHE 79 HZ PHE 79 2.714 10.337 -1.078 569 H ARG 80 H ARG 80 0.550 5.181 4.528 570 HA ARG 80 HA ARG 80 3.480 4.809 4.748 571 HB2 ARG 80 HB3 ARG 80 2.637 3.233 6.822 572 HB3 ARG 80 HB2 ARG 80 3.352 4.827 7.028 573 HG2 ARG 80 HG3 ARG 80 1.277 5.846 7.406 574 HG3 ARG 80 HG2 ARG 80 0.386 4.573 6.569 575 HD2 ARG 80 HD3 ARG 80 0.616 3.060 8.369 576 HD3 ARG 80 HD2 ARG 80 1.920 3.992 9.102 577 HE ARG 80 HE ARG 80 -0.651 5.400 8.954 578 HH11 ARG 80 HH11 ARG 80 -1.558 5.919 10.955 579 HH12 ARG 80 HH12 ARG 80 -0.921 5.194 12.393 580 HH21 ARG 80 HH21 ARG 80 1.489 3.351 10.715 581 HH22 ARG 80 HH22 ARG 80 0.803 3.741 12.257 582 H LEU 81 H LEU 81 3.693 2.215 5.196 583 HA LEU 81 HA LEU 81 1.773 0.981 3.275 584 HB2 LEU 81 HB3 LEU 81 4.697 0.883 3.481 585 HB3 LEU 81 HB2 LEU 81 3.948 -0.690 3.245 586 HG LEU 81 HG LEU 81 2.682 0.288 1.351 587 HD11 LEU 81 HD11 LEU 81 4.442 2.659 1.975 588 HD12 LEU 81 HD12 LEU 81 2.682 2.622 1.873 589 HD13 LEU 81 HD13 LEU 81 3.655 2.447 0.412 590 HD21 LEU 81 HD21 LEU 81 4.525 -0.948 0.632 591 HD22 LEU 81 HD22 LEU 81 5.678 0.153 1.386 592 HD23 LEU 81 HD23 LEU 81 4.848 0.624 -0.097 593 H TRP 82 H TRP 82 1.966 -1.542 3.537 594 HA TRP 82 HA TRP 82 2.132 -2.413 6.332 595 HB2 TRP 82 HB3 TRP 82 -0.133 -1.554 6.327 596 HB3 TRP 82 HB2 TRP 82 -0.487 -2.376 4.811 597 HD1 TRP 82 HD TRP 82 -0.683 -5.051 4.871 598 HE1 TRP 82 HE1 TRP 82 -1.261 -6.666 6.797 599 HE3 TRP 82 HE3 TRP 82 0.067 -1.962 8.868 600 HZ2 TRP 82 HZ2 TRP 82 -1.387 -6.648 9.655 601 HZ3 TRP 82 HZ3 TRP 82 -0.289 -2.785 11.178 602 HH2 TRP 82 HH2 TRP 82 -1.014 -5.123 11.575 603 H CYS 83 H CYS 83 3.361 -4.203 6.002 604 HA CYS 83 HA CYS 83 2.961 -5.786 3.537 605 HB2 CYS 83 HB3 CYS 83 5.229 -5.028 4.808 606 HB3 CYS 83 HB2 CYS 83 4.978 -6.606 5.544 607 H TYR 84 H TYR 84 1.309 -7.298 3.762 608 HA TYR 84 HA TYR 84 0.671 -8.466 6.343 609 HB2 TYR 84 HB3 TYR 84 -0.810 -8.319 4.144 610 HB3 TYR 84 HB2 TYR 84 -0.004 -9.837 3.738 611 HD1 TYR 84 HD1 TYR 84 -0.500 -11.875 4.901 612 HD2 TYR 84 HD2 TYR 84 -2.163 -8.147 6.238 613 HE1 TYR 84 HE1 TYR 84 -2.028 -13.102 6.420 614 HE2 TYR 84 HE2 TYR 84 -3.693 -9.374 7.757 615 HH TYR 84 HH TYR 84 -4.671 -12.050 7.609 616 H ALA 85 H ALA 85 3.346 -8.667 4.551 617 HA ALA 85 HA ALA 85 3.854 -11.549 5.043 618 HB1 ALA 85 HB1 ALA 85 6.047 -10.964 3.790 619 HB2 ALA 85 HB2 ALA 85 5.229 -9.470 3.339 620 HB3 ALA 85 HB3 ALA 85 4.564 -11.025 2.844 621 H CYS 86 H CYS 86 5.860 -8.558 5.226 622 HA CYS 86 HA CYS 86 7.361 -9.507 7.490 623 HB2 CYS 86 HB3 CYS 86 6.861 -6.620 6.675 624 HB3 CYS 86 HB2 CYS 86 8.217 -7.246 7.601 625 H GLU 87 H GLU 87 4.240 -8.517 6.945 626 HA GLU 87 HA GLU 87 2.450 -7.863 8.294 627 HB2 GLU 87 HB3 GLU 87 3.840 -10.094 9.401 628 HB3 GLU 87 HB2 GLU 87 3.266 -9.100 10.730 629 HG2 GLU 87 HG3 GLU 87 1.495 -9.916 8.422 630 HG3 GLU 87 HG2 GLU 87 1.628 -10.860 9.903 631 H LYS 88 H LYS 88 3.760 -5.698 8.104 632 HA LYS 88 HA LYS 88 3.629 -4.472 10.748 633 HB2 LYS 88 HB3 LYS 88 6.057 -3.491 10.293 634 HB3 LYS 88 HB2 LYS 88 5.846 -5.026 11.132 635 HG2 LYS 88 HG3 LYS 88 5.941 -6.048 8.715 636 HG3 LYS 88 HG2 LYS 88 6.708 -4.531 8.289 637 HD2 LYS 88 HD3 LYS 88 7.897 -5.547 10.721 638 HD3 LYS 88 HD2 LYS 88 7.913 -6.810 9.510 639 HE2 LYS 88 HE3 LYS 88 9.941 -5.585 9.206 640 HE3 LYS 88 HE2 LYS 88 8.876 -5.073 7.899 641 HZ1 LYS 88 HZ1 LYS 88 8.178 -3.248 9.542 642 HZ2 LYS 88 HZ2 LYS 88 9.668 -3.091 8.741 643 HZ3 LYS 88 HZ3 LYS 88 9.619 -3.623 10.354 644 H GLU 89 H GLU 89 4.835 -2.061 10.211 645 HA GLU 89 HA GLU 89 3.388 -1.124 7.757 646 HB2 GLU 89 HB3 GLU 89 3.061 -0.365 10.457 647 HB3 GLU 89 HB2 GLU 89 3.931 0.968 9.704 648 HG2 GLU 89 HG3 GLU 89 2.209 1.402 8.179 649 HG3 GLU 89 HG2 GLU 89 1.531 -0.217 8.326 650 H VAL 90 H VAL 90 4.570 0.178 6.297 651 HA VAL 90 HA VAL 90 7.243 1.113 7.242 652 HB VAL 90 HB VAL 90 7.936 0.203 4.759 653 HG11 VAL 90 HG11 VAL 90 7.970 -1.460 7.297 654 HG12 VAL 90 HG12 VAL 90 9.121 -0.178 6.923 655 HG13 VAL 90 HG13 VAL 90 9.060 -1.627 5.921 656 HG21 VAL 90 HG21 VAL 90 6.249 -2.039 5.864 657 HG22 VAL 90 HG22 VAL 90 6.911 -1.847 4.240 658 HG23 VAL 90 HG23 VAL 90 5.547 -0.860 4.757 659 H PHE 91 H PHE 91 7.996 2.924 6.157 660 HA PHE 91 HA PHE 91 6.009 4.304 4.414 661 HB2 PHE 91 HB3 PHE 91 8.434 5.376 5.887 662 HB3 PHE 91 HB2 PHE 91 7.318 6.338 4.926 663 HD1 PHE 91 HD1 PHE 91 7.300 3.891 7.778 664 HD2 PHE 91 HD2 PHE 91 5.505 7.364 5.996 665 HE1 PHE 91 HE1 PHE 91 5.815 4.135 9.748 666 HE2 PHE 91 HE2 PHE 91 4.021 7.608 7.968 667 HZ PHE 91 HZ PHE 91 4.175 5.993 9.843 668 H LEU 92 H LEU 92 7.099 5.722 2.689 669 HA LEU 92 HA LEU 92 8.534 4.202 0.843 670 HB2 LEU 92 HB3 LEU 92 8.527 7.193 1.342 671 HB3 LEU 92 HB2 LEU 92 9.374 6.462 -0.021 672 HG LEU 92 HG LEU 92 7.227 5.386 -0.722 673 HD11 LEU 92 HD11 LEU 92 5.912 5.245 1.219 674 HD12 LEU 92 HD12 LEU 92 5.156 6.573 0.339 675 HD13 LEU 92 HD13 LEU 92 6.245 6.914 1.683 676 HD21 LEU 92 HD21 LEU 92 7.690 7.345 -1.929 677 HD22 LEU 92 HD22 LEU 92 7.505 8.379 -0.513 678 HD23 LEU 92 HD23 LEU 92 6.083 7.674 -1.284 679 H GLU 93 H GLU 93 10.760 3.956 0.465 680 HA GLU 93 HA GLU 93 12.456 3.517 2.627 681 HB2 GLU 93 HB3 GLU 93 14.332 3.710 0.914 682 HB3 GLU 93 HB2 GLU 93 13.030 2.591 0.504 683 HG2 GLU 93 HG3 GLU 93 11.938 4.497 -0.776 684 HG3 GLU 93 HG2 GLU 93 13.434 5.401 -0.545 685 H GLN 94 H GLN 94 11.293 6.500 1.871 686 HA GLN 94 HA GLN 94 11.922 8.662 2.504 687 HB2 GLN 94 HB3 GLN 94 14.116 7.395 4.144 688 HB3 GLN 94 HB2 GLN 94 13.228 8.884 4.467 689 HG2 GLN 94 HG3 GLN 94 11.131 7.443 4.638 690 HG3 GLN 94 HG2 GLN 94 12.205 6.045 4.648 691 HE21 GLN 94 HE21 GLN 94 13.425 5.622 6.573 692 HE22 GLN 94 HE22 GLN 94 13.246 6.535 7.993 693 H ARG 95 H ARG 95 14.191 6.526 1.045 694 HA ARG 95 HA ARG 95 16.525 8.014 0.779 695 HB2 ARG 95 HB3 ARG 95 17.013 6.689 -1.071 696 HB3 ARG 95 HB2 ARG 95 15.730 5.743 -0.329 697 HG2 ARG 95 HG3 ARG 95 15.028 5.826 -2.554 698 HG3 ARG 95 HG2 ARG 95 14.135 7.165 -1.844 699 HD2 ARG 95 HD3 ARG 95 15.058 8.489 -3.430 700 HD3 ARG 95 HD2 ARG 95 16.606 8.280 -2.615 701 HE ARG 95 HE ARG 95 16.303 6.014 -4.234 702 HH11 ARG 95 HH11 ARG 95 17.179 5.947 -6.316 703 HH12 ARG 95 HH12 ARG 95 17.501 7.428 -7.154 704 HH21 ARG 95 HH21 ARG 95 16.371 9.445 -4.570 705 HH22 ARG 95 HH22 ARG 95 17.044 9.407 -6.166 706 H LEU 96 H LEU 96 13.402 8.586 -0.667 707 HA LEU 96 HA LEU 96 14.465 10.880 -2.229 708 HB2 LEU 96 HB3 LEU 96 12.098 10.994 -3.102 709 HB3 LEU 96 HB2 LEU 96 12.929 9.482 -3.454 710 HG LEU 96 HG LEU 96 11.848 8.539 -1.336 711 HD11 LEU 96 HD11 LEU 96 9.557 9.911 -1.013 712 HD12 LEU 96 HD12 LEU 96 10.611 11.255 -1.446 713 HD13 LEU 96 HD13 LEU 96 10.995 10.247 -0.052 714 HD21 LEU 96 HD21 LEU 96 11.081 8.148 -3.725 715 HD22 LEU 96 HD22 LEU 96 9.902 9.436 -3.477 716 HD23 LEU 96 HD23 LEU 96 9.824 7.969 -2.502 717 H ALA 97 H ALA 97 12.619 12.768 -2.167 718 HA ALA 97 HA ALA 97 11.465 13.229 0.454 719 HB1 ALA 97 HB1 ALA 97 12.902 15.186 1.029 720 HB2 ALA 97 HB2 ALA 97 13.957 14.775 -0.323 721 HB3 ALA 97 HB3 ALA 97 13.799 13.667 1.040 722 H ALA 98 H ALA 98 10.562 15.531 0.556 723 HA ALA 98 HA ALA 98 9.150 17.114 -0.451 724 HB1 ALA 98 HB1 ALA 98 11.481 17.909 -1.114 725 HB2 ALA 98 HB2 ALA 98 10.167 18.448 -2.160 726 HB3 ALA 98 HB3 ALA 98 11.211 17.119 -2.667 727 HA PRO 99 HA PRO 99 7.452 13.612 -3.106 728 HB2 PRO 99 HB3 PRO 99 5.024 14.839 -1.854 729 HB3 PRO 99 HB2 PRO 99 5.419 13.128 -2.107 730 HG2 PRO 99 HG3 PRO 99 5.621 14.255 0.297 731 HG3 PRO 99 HG2 PRO 99 6.774 13.025 -0.252 732 HD2 PRO 99 HD3 PRO 99 7.165 15.970 0.039 733 HD3 PRO 99 HD2 PRO 99 8.350 14.654 0.187 Start of MODEL 15 1 H1 MET 1 H1 MET 1 19.871 -3.436 -0.170 2 HA MET 1 HA MET 1 18.222 -5.598 -0.441 3 HB2 MET 1 HB3 MET 1 17.393 -4.040 2.015 4 HB3 MET 1 HB2 MET 1 16.661 -5.505 1.361 5 HG2 MET 1 HG3 MET 1 18.915 -6.643 1.786 6 HG3 MET 1 HG2 MET 1 19.336 -5.222 2.740 7 HE1 MET 1 HE1 MET 1 18.464 -4.507 4.791 8 HE2 MET 1 HE2 MET 1 17.140 -5.187 5.735 9 HE3 MET 1 HE3 MET 1 16.791 -4.293 4.257 10 H GLY 2 H GLY 2 18.348 -2.190 0.587 11 HA2 GLY 2 HA3 GLY 2 17.095 -1.324 -1.880 12 HA3 GLY 2 HA2 GLY 2 15.986 -1.214 -0.513 13 H ASP 3 H ASP 3 16.870 -0.006 1.435 14 HA ASP 3 HA ASP 3 19.066 1.863 0.958 15 HB2 ASP 3 HB3 ASP 3 16.185 2.772 0.896 16 HB3 ASP 3 HB2 ASP 3 17.501 3.869 1.317 17 H SER 4 H SER 4 16.486 3.065 2.880 18 HA SER 4 HA SER 4 18.042 2.441 5.324 19 HB2 SER 4 HB3 SER 4 15.724 4.306 4.772 20 HB3 SER 4 HB2 SER 4 16.368 4.029 6.388 21 HG SER 4 HG SER 4 17.307 5.844 5.272 22 H ARG 5 H ARG 5 16.932 1.581 7.228 23 HA ARG 5 HA ARG 5 15.610 -0.804 6.973 24 HB2 ARG 5 HB3 ARG 5 14.319 0.149 9.187 25 HB3 ARG 5 HB2 ARG 5 15.977 -0.453 9.204 26 HG2 ARG 5 HG3 ARG 5 16.885 1.741 9.054 27 HG3 ARG 5 HG2 ARG 5 15.329 2.436 8.599 28 HD2 ARG 5 HD3 ARG 5 14.435 1.794 10.844 29 HD3 ARG 5 HD2 ARG 5 16.049 1.242 11.291 30 HE ARG 5 HE ARG 5 15.176 4.019 11.131 31 HH11 ARG 5 HH11 ARG 5 16.744 5.563 11.642 32 HH12 ARG 5 HH12 ARG 5 18.412 5.099 11.698 33 HH21 ARG 5 HH21 ARG 5 17.793 1.788 10.871 34 HH22 ARG 5 HH22 ARG 5 19.006 2.962 11.262 35 H ASP 6 H ASP 6 14.000 2.368 7.118 36 HA ASP 6 HA ASP 6 11.332 1.776 7.110 37 HB2 ASP 6 HB3 ASP 6 12.780 3.984 6.433 38 HB3 ASP 6 HB2 ASP 6 12.099 3.561 4.865 39 H LEU 7 H LEU 7 13.594 0.964 4.572 40 HA LEU 7 HA LEU 7 11.559 0.308 2.613 41 HB2 LEU 7 HB3 LEU 7 13.310 0.023 1.181 42 HB3 LEU 7 HB2 LEU 7 14.227 0.814 2.452 43 HG LEU 7 HG LEU 7 15.474 -1.113 1.814 44 HD11 LEU 7 HD11 LEU 7 14.531 -2.614 4.054 45 HD12 LEU 7 HD12 LEU 7 14.394 -0.903 4.446 46 HD13 LEU 7 HD13 LEU 7 15.942 -1.567 3.947 47 HD21 LEU 7 HD21 LEU 7 14.572 -3.006 1.001 48 HD22 LEU 7 HD22 LEU 7 13.005 -2.213 1.109 49 HD23 LEU 7 HD23 LEU 7 13.570 -3.238 2.429 50 H CYS 8 H CYS 8 11.051 -1.873 1.869 51 HA CYS 8 HA CYS 8 11.420 -3.962 3.983 52 HB2 CYS 8 HB3 CYS 8 9.170 -4.058 4.204 53 HB3 CYS 8 HB2 CYS 8 8.965 -2.824 2.965 54 HA PRO 9 HA PRO 9 13.110 -6.711 0.993 55 HB2 PRO 9 HB3 PRO 9 11.516 -8.976 1.326 56 HB3 PRO 9 HB2 PRO 9 12.862 -8.529 2.381 57 HG2 PRO 9 HG3 PRO 9 9.964 -7.996 2.726 58 HG3 PRO 9 HG2 PRO 9 11.115 -8.591 3.925 59 HD2 PRO 9 HD3 PRO 9 10.411 -6.031 3.966 60 HD3 PRO 9 HD2 PRO 9 12.131 -6.453 4.162 61 H HIS 10 H HIS 10 9.589 -7.212 1.021 62 HA HIS 10 HA HIS 10 9.473 -7.690 -1.852 63 HB2 HIS 10 HB3 HIS 10 7.032 -6.958 -0.235 64 HB3 HIS 10 HB2 HIS 10 7.203 -8.136 -1.535 65 HD2 HIS 10 HD2 HIS 10 8.038 -10.692 -0.739 66 HE1 HIS 10 HE1 HIS 10 8.329 -9.867 3.387 67 HE2 HIS 10 HE2 HIS 10 8.392 -11.696 1.636 68 H LEU 11 H LEU 11 10.024 -4.960 -0.148 69 HA LEU 11 HA LEU 11 8.259 -3.103 -1.505 70 HB2 LEU 11 HB3 LEU 11 9.481 -2.812 0.749 71 HB3 LEU 11 HB2 LEU 11 10.894 -2.409 -0.216 72 HG LEU 11 HG LEU 11 8.387 -0.992 -0.961 73 HD11 LEU 11 HD11 LEU 11 7.994 -0.716 1.328 74 HD12 LEU 11 HD12 LEU 11 8.970 0.701 0.939 75 HD13 LEU 11 HD13 LEU 11 9.713 -0.694 1.722 76 HD21 LEU 11 HD21 LEU 11 9.890 0.787 -1.436 77 HD22 LEU 11 HD22 LEU 11 10.776 -0.668 -1.888 78 HD23 LEU 11 HD23 LEU 11 11.126 0.136 -0.358 79 H ASP 12 H ASP 12 11.321 -4.581 -2.218 80 HA ASP 12 HA ASP 12 11.944 -2.641 -4.353 81 HB2 ASP 12 HB3 ASP 12 13.777 -3.659 -3.030 82 HB3 ASP 12 HB2 ASP 12 13.292 -5.255 -3.606 83 H SER 13 H SER 13 10.328 -5.679 -3.940 84 HA SER 13 HA SER 13 10.501 -6.453 -6.758 85 HB2 SER 13 HB3 SER 13 10.220 -8.037 -4.755 86 HB3 SER 13 HB2 SER 13 8.541 -7.510 -4.714 87 HG SER 13 HG SER 13 9.832 -8.514 -7.032 88 H ILE 14 H ILE 14 8.156 -4.857 -4.647 89 HA ILE 14 HA ILE 14 6.014 -4.825 -6.589 90 HB ILE 14 HB ILE 14 5.079 -3.023 -5.084 91 HG12 ILE 14 HG13 ILE 14 6.352 -2.946 -2.826 92 HG13 ILE 14 HG12 ILE 14 7.750 -3.479 -3.748 93 HG21 ILE 14 HG21 ILE 14 4.501 -4.581 -3.380 94 HG22 ILE 14 HG22 ILE 14 6.037 -5.432 -3.532 95 HG23 ILE 14 HG23 ILE 14 4.826 -5.572 -4.801 96 HD11 ILE 14 HD11 ILE 14 7.272 -0.903 -3.404 97 HD12 ILE 14 HD12 ILE 14 6.164 -1.139 -4.753 98 HD13 ILE 14 HD13 ILE 14 7.881 -1.495 -4.947 99 H GLY 15 H GLY 15 8.960 -3.202 -6.533 100 HA2 GLY 15 HA3 GLY 15 9.772 -1.304 -7.659 101 HA3 GLY 15 HA2 GLY 15 8.574 -1.739 -8.876 102 H GLU 16 H GLU 16 8.990 0.884 -8.715 103 HA GLU 16 HA GLU 16 7.069 2.073 -6.794 104 HB2 GLU 16 HB3 GLU 16 9.135 3.288 -7.012 105 HB3 GLU 16 HB2 GLU 16 9.031 3.268 -8.772 106 HG2 GLU 16 HG3 GLU 16 8.360 5.458 -7.604 107 HG3 GLU 16 HG2 GLU 16 7.219 4.821 -8.789 108 H VAL 17 H VAL 17 5.010 1.588 -7.569 109 HA VAL 17 HA VAL 17 4.266 1.602 -10.337 110 HB VAL 17 HB VAL 17 1.915 1.830 -9.414 111 HG11 VAL 17 HG11 VAL 17 3.702 -0.252 -8.117 112 HG12 VAL 17 HG12 VAL 17 3.006 -0.367 -9.734 113 HG13 VAL 17 HG13 VAL 17 1.954 -0.376 -8.318 114 HG21 VAL 17 HG21 VAL 17 2.659 3.188 -7.417 115 HG22 VAL 17 HG22 VAL 17 3.353 1.712 -6.745 116 HG23 VAL 17 HG23 VAL 17 1.614 1.827 -7.011 117 H THR 18 H THR 18 2.152 3.296 -10.697 118 HA THR 18 HA THR 18 3.462 5.839 -11.122 119 HB THR 18 HB THR 18 0.681 6.252 -11.304 120 HG1 THR 18 HG1 THR 18 0.545 4.192 -12.782 121 HG21 THR 18 HG21 THR 18 2.381 7.016 -12.910 122 HG22 THR 18 HG22 THR 18 1.105 6.119 -13.733 123 HG23 THR 18 HG23 THR 18 2.659 5.349 -13.417 124 H LYS 19 H LYS 19 3.585 7.550 -9.777 125 HA LYS 19 HA LYS 19 2.847 7.432 -7.037 126 HB2 LYS 19 HB3 LYS 19 2.937 10.066 -7.349 127 HB3 LYS 19 HB2 LYS 19 4.412 9.111 -7.476 128 HG2 LYS 19 HG3 LYS 19 3.098 9.144 -10.051 129 HG3 LYS 19 HG2 LYS 19 3.247 10.789 -9.467 130 HD2 LYS 19 HD3 LYS 19 5.266 10.295 -10.683 131 HD3 LYS 19 HD2 LYS 19 5.693 10.286 -8.972 132 HE2 LYS 19 HE3 LYS 19 6.698 8.309 -9.804 133 HE3 LYS 19 HE2 LYS 19 5.200 7.735 -9.079 134 HZ1 LYS 19 HZ1 LYS 19 4.183 7.978 -11.337 135 HZ2 LYS 19 HZ2 LYS 19 5.353 6.754 -11.201 136 HZ3 LYS 19 HZ3 LYS 19 5.746 8.228 -11.948 137 H GLU 20 H GLU 20 1.354 9.362 -9.630 138 HA GLU 20 HA GLU 20 -0.933 10.257 -8.424 139 HB2 GLU 20 HB3 GLU 20 -0.591 10.857 -10.671 140 HB3 GLU 20 HB2 GLU 20 -0.492 9.170 -11.185 141 HG2 GLU 20 HG3 GLU 20 -2.918 8.925 -10.498 142 HG3 GLU 20 HG2 GLU 20 -2.954 10.667 -10.233 143 H ASP 21 H ASP 21 -0.280 7.003 -9.619 144 HA ASP 21 HA ASP 21 -2.823 5.839 -9.285 145 HB2 ASP 21 HB3 ASP 21 -0.529 4.765 -10.025 146 HB3 ASP 21 HB2 ASP 21 -0.381 4.361 -8.318 147 H LEU 22 H LEU 22 -0.320 6.542 -6.894 148 HA LEU 22 HA LEU 22 -1.839 5.487 -4.660 149 HB2 LEU 22 HB3 LEU 22 0.301 7.589 -4.397 150 HB3 LEU 22 HB2 LEU 22 -0.082 6.263 -3.298 151 HG LEU 22 HG LEU 22 1.220 6.050 -6.026 152 HD11 LEU 22 HD11 LEU 22 3.061 5.037 -4.691 153 HD12 LEU 22 HD12 LEU 22 2.153 5.381 -3.218 154 HD13 LEU 22 HD13 LEU 22 2.739 6.706 -4.223 155 HD21 LEU 22 HD21 LEU 22 1.343 3.567 -5.328 156 HD22 LEU 22 HD22 LEU 22 -0.218 4.162 -5.894 157 HD23 LEU 22 HD23 LEU 22 0.074 3.959 -4.167 158 H LEU 23 H LEU 23 -1.785 8.373 -6.483 159 HA LEU 23 HA LEU 23 -3.077 10.039 -4.459 160 HB2 LEU 23 HB3 LEU 23 -2.753 10.449 -7.453 161 HB3 LEU 23 HB2 LEU 23 -3.162 11.693 -6.296 162 HG LEU 23 HG LEU 23 -0.558 10.139 -6.458 163 HD11 LEU 23 HD11 LEU 23 0.367 12.064 -7.304 164 HD12 LEU 23 HD12 LEU 23 -0.648 13.117 -6.321 165 HD13 LEU 23 HD13 LEU 23 -1.289 12.407 -7.802 166 HD21 LEU 23 HD21 LEU 23 0.029 11.803 -4.519 167 HD22 LEU 23 HD22 LEU 23 -0.864 10.334 -4.134 168 HD23 LEU 23 HD23 LEU 23 -1.716 11.873 -4.271 169 H LEU 24 H LEU 24 -4.189 8.616 -7.605 170 HA LEU 24 HA LEU 24 -6.932 9.274 -7.100 171 HB2 LEU 24 HB3 LEU 24 -7.528 7.605 -8.764 172 HB3 LEU 24 HB2 LEU 24 -6.150 8.545 -9.345 173 HG LEU 24 HG LEU 24 -4.844 6.509 -8.097 174 HD11 LEU 24 HD11 LEU 24 -5.963 4.416 -8.466 175 HD12 LEU 24 HD12 LEU 24 -7.265 5.196 -9.360 176 HD13 LEU 24 HD13 LEU 24 -7.123 5.438 -7.622 177 HD21 LEU 24 HD21 LEU 24 -4.772 5.453 -10.423 178 HD22 LEU 24 HD22 LEU 24 -4.343 7.161 -10.352 179 HD23 LEU 24 HD23 LEU 24 -5.941 6.677 -10.914 180 H LYS 25 H LYS 25 -4.971 6.383 -6.336 181 HA LYS 25 HA LYS 25 -6.969 4.773 -5.208 182 HB2 LYS 25 HB3 LYS 25 -4.089 5.263 -4.440 183 HB3 LYS 25 HB2 LYS 25 -5.089 4.159 -3.502 184 HG2 LYS 25 HG3 LYS 25 -5.437 2.717 -5.360 185 HG3 LYS 25 HG2 LYS 25 -4.859 3.926 -6.504 186 HD2 LYS 25 HD3 LYS 25 -2.601 3.654 -5.819 187 HD3 LYS 25 HD2 LYS 25 -3.064 2.799 -4.352 188 HE2 LYS 25 HE3 LYS 25 -2.238 1.177 -5.961 189 HE3 LYS 25 HE2 LYS 25 -3.979 0.954 -5.790 190 HZ1 LYS 25 HZ1 LYS 25 -2.477 1.693 -8.088 191 HZ2 LYS 25 HZ2 LYS 25 -3.684 2.842 -7.757 192 HZ3 LYS 25 HZ3 LYS 25 -4.098 1.209 -7.975 193 H SER 26 H SER 26 -5.217 7.504 -3.792 194 HA SER 26 HA SER 26 -6.619 7.498 -1.267 195 HB2 SER 26 HB3 SER 26 -4.366 8.679 -1.988 196 HB3 SER 26 HB2 SER 26 -5.427 9.968 -2.519 197 HG SER 26 HG SER 26 -4.784 10.254 -0.352 198 H LYS 27 H LYS 27 -7.971 7.734 -4.157 199 HA LYS 27 HA LYS 27 -9.263 10.167 -4.440 200 HB2 LYS 27 HB3 LYS 27 -11.285 8.716 -5.267 201 HB3 LYS 27 HB2 LYS 27 -9.769 8.697 -6.161 202 HG2 LYS 27 HG3 LYS 27 -9.315 6.526 -5.620 203 HG3 LYS 27 HG2 LYS 27 -9.967 6.686 -3.983 204 HD2 LYS 27 HD3 LYS 27 -11.386 5.179 -5.263 205 HD3 LYS 27 HD2 LYS 27 -12.274 6.678 -4.981 206 HE2 LYS 27 HE3 LYS 27 -11.636 7.486 -7.221 207 HE3 LYS 27 HE2 LYS 27 -10.730 6.002 -7.503 208 HZ1 LYS 27 HZ1 LYS 27 -12.584 4.996 -8.126 209 HZ2 LYS 27 HZ2 LYS 27 -13.437 6.454 -7.944 210 HZ3 LYS 27 HZ3 LYS 27 -13.334 5.359 -6.648 211 H GLY 28 H GLY 28 -10.447 7.457 -2.342 212 HA2 GLY 28 HA3 GLY 28 -11.172 8.644 -0.114 213 HA3 GLY 28 HA2 GLY 28 -12.344 9.423 -1.163 214 H THR 29 H THR 29 -11.736 6.252 -2.224 215 HA THR 29 HA THR 29 -13.619 4.998 -0.372 216 HB THR 29 HB THR 29 -14.900 4.585 -2.828 217 HG1 THR 29 HG1 THR 29 -13.861 7.146 -2.537 218 HG21 THR 29 HG21 THR 29 -16.768 5.689 -1.772 219 HG22 THR 29 HG22 THR 29 -15.692 6.550 -0.673 220 HG23 THR 29 HG23 THR 29 -15.892 4.805 -0.523 221 H CYS 30 H CYS 30 -13.733 2.749 -0.617 222 HA CYS 30 HA CYS 30 -11.498 1.397 -1.816 223 HB2 CYS 30 HB3 CYS 30 -12.842 0.459 0.079 224 HB3 CYS 30 HB2 CYS 30 -14.198 0.245 -1.027 225 H GLN 31 H GLN 31 -11.403 0.301 -3.856 226 HA GLN 31 HA GLN 31 -13.300 1.305 -5.839 227 HB2 GLN 31 HB3 GLN 31 -11.956 -0.096 -7.433 228 HB3 GLN 31 HB2 GLN 31 -11.022 1.114 -6.561 229 HG2 GLN 31 HG3 GLN 31 -9.738 -0.905 -6.488 230 HG3 GLN 31 HG2 GLN 31 -10.447 -0.723 -4.890 231 HE21 GLN 31 HE21 GLN 31 -10.347 -3.085 -4.564 232 HE22 GLN 31 HE22 GLN 31 -11.452 -4.110 -5.343 233 H SER 32 H SER 32 -13.126 -1.478 -3.841 234 HA SER 32 HA SER 32 -15.108 -2.877 -5.600 235 HB2 SER 32 HB3 SER 32 -13.099 -3.916 -3.605 236 HB3 SER 32 HB2 SER 32 -14.465 -4.894 -4.137 237 HG SER 32 HG SER 32 -13.176 -5.349 -5.741 238 H CYS 33 H CYS 33 -14.754 -1.154 -2.682 239 HA CYS 33 HA CYS 33 -17.380 -2.246 -1.737 240 HB2 CYS 33 HB3 CYS 33 -15.163 -1.218 0.055 241 HB3 CYS 33 HB2 CYS 33 -16.672 -1.964 0.555 242 H GLY 34 H GLY 34 -15.437 0.573 -2.444 243 HA2 GLY 34 HA3 GLY 34 -15.981 2.862 -2.310 244 HA3 GLY 34 HA2 GLY 34 -17.636 2.330 -2.609 245 H VAL 35 H VAL 35 -15.257 2.390 0.039 246 HA VAL 35 HA VAL 35 -17.491 2.682 1.978 247 HB VAL 35 HB VAL 35 -15.871 1.980 3.665 248 HG11 VAL 35 HG11 VAL 35 -16.240 0.429 1.136 249 HG12 VAL 35 HG12 VAL 35 -16.759 0.047 2.773 250 HG13 VAL 35 HG13 VAL 35 -15.077 -0.198 2.302 251 HG21 VAL 35 HG21 VAL 35 -13.556 1.300 2.765 252 HG22 VAL 35 HG22 VAL 35 -13.848 3.023 2.969 253 HG23 VAL 35 HG23 VAL 35 -13.932 2.298 1.362 254 H THR 36 H THR 36 -14.277 4.199 1.308 255 HA THR 36 HA THR 36 -15.007 6.850 1.550 256 HB THR 36 HB THR 36 -14.099 6.940 4.167 257 HG1 THR 36 HG1 THR 36 -15.623 5.398 5.158 258 HG21 THR 36 HG21 THR 36 -16.759 7.177 2.839 259 HG22 THR 36 HG22 THR 36 -15.874 8.348 3.815 260 HG23 THR 36 HG23 THR 36 -16.755 7.036 4.595 261 H GLY 37 H GLY 37 -13.038 8.145 2.752 262 HA2 GLY 37 HA3 GLY 37 -10.617 7.060 1.469 263 HA3 GLY 37 HA2 GLY 37 -10.812 8.686 2.084 264 HA PRO 38 HA PRO 38 -8.912 8.064 5.951 265 HB2 PRO 38 HB3 PRO 38 -11.178 7.640 7.686 266 HB3 PRO 38 HB2 PRO 38 -10.163 9.081 7.528 267 HG2 PRO 38 HG3 PRO 38 -12.804 8.545 6.406 268 HG3 PRO 38 HG2 PRO 38 -11.952 10.084 6.589 269 HD2 PRO 38 HD3 PRO 38 -12.383 8.869 4.162 270 HD3 PRO 38 HD2 PRO 38 -11.028 9.974 4.475 271 H ASN 39 H ASN 39 -7.930 6.305 6.700 272 HA ASN 39 HA ASN 39 -7.494 4.118 7.343 273 HB2 ASN 39 HB3 ASN 39 -10.377 4.423 7.958 274 HB3 ASN 39 HB2 ASN 39 -9.837 2.762 7.739 275 HD21 ASN 39 HD21 ASN 39 -7.644 2.296 8.981 276 HD22 ASN 39 HD22 ASN 39 -7.542 2.941 10.548 277 H LEU 40 H LEU 40 -7.885 4.864 4.504 278 HA LEU 40 HA LEU 40 -9.119 2.464 3.321 279 HB2 LEU 40 HB3 LEU 40 -7.901 4.985 2.263 280 HB3 LEU 40 HB2 LEU 40 -7.861 3.578 1.214 281 HG LEU 40 HG LEU 40 -10.296 4.975 2.351 282 HD11 LEU 40 HD11 LEU 40 -9.535 4.249 -0.488 283 HD12 LEU 40 HD12 LEU 40 -9.141 5.798 0.247 284 HD13 LEU 40 HD13 LEU 40 -10.825 5.331 0.018 285 HD21 LEU 40 HD21 LEU 40 -9.970 2.188 1.278 286 HD22 LEU 40 HD22 LEU 40 -11.405 3.091 0.799 287 HD23 LEU 40 HD23 LEU 40 -11.087 2.788 2.504 288 H TRP 41 H TRP 41 -7.613 1.394 1.544 289 HA TRP 41 HA TRP 41 -4.786 1.294 2.209 290 HB2 TRP 41 HB3 TRP 41 -6.535 -0.431 3.658 291 HB3 TRP 41 HB2 TRP 41 -5.644 -1.432 2.518 292 HD1 TRP 41 HD TRP 41 -2.864 -0.229 2.438 293 HE1 TRP 41 HE1 TRP 41 -1.335 -0.142 4.512 294 HE3 TRP 41 HE3 TRP 41 -6.359 -0.646 6.133 295 HZ2 TRP 41 HZ2 TRP 41 -1.567 -0.236 7.363 296 HZ3 TRP 41 HZ3 TRP 41 -5.682 -0.645 8.515 297 HH2 TRP 41 HH2 TRP 41 -3.290 -0.442 9.134 298 H ALA 42 H ALA 42 -4.491 1.668 -0.004 299 HA ALA 42 HA ALA 42 -5.715 -0.193 -1.926 300 HB1 ALA 42 HB1 ALA 42 -5.601 2.185 -2.501 301 HB2 ALA 42 HB2 ALA 42 -4.609 1.249 -3.615 302 HB3 ALA 42 HB3 ALA 42 -3.848 2.162 -2.312 303 H CYS 43 H CYS 43 -4.600 -1.694 -3.127 304 HA CYS 43 HA CYS 43 -2.258 -2.889 -2.019 305 HB2 CYS 43 HB3 CYS 43 -4.087 -3.775 -3.730 306 HB3 CYS 43 HB2 CYS 43 -2.918 -3.217 -4.928 307 H LEU 44 H LEU 44 -0.062 -2.851 -2.851 308 HA LEU 44 HA LEU 44 0.519 -0.560 -4.681 309 HB2 LEU 44 HB3 LEU 44 0.895 0.021 -2.262 310 HB3 LEU 44 HB2 LEU 44 2.122 -1.239 -2.209 311 HG LEU 44 HG LEU 44 2.758 0.256 -4.508 312 HD11 LEU 44 HD11 LEU 44 2.801 2.563 -3.812 313 HD12 LEU 44 HD12 LEU 44 2.197 2.145 -2.209 314 HD13 LEU 44 HD13 LEU 44 1.148 1.979 -3.617 315 HD21 LEU 44 HD21 LEU 44 4.270 -0.760 -2.722 316 HD22 LEU 44 HD22 LEU 44 3.947 0.679 -1.754 317 HD23 LEU 44 HD23 LEU 44 4.758 0.828 -3.312 318 H GLN 45 H GLN 45 0.445 -3.321 -5.496 319 HA GLN 45 HA GLN 45 3.279 -4.150 -5.538 320 HB2 GLN 45 HB3 GLN 45 1.261 -5.572 -7.206 321 HB3 GLN 45 HB2 GLN 45 2.584 -6.221 -6.231 322 HG2 GLN 45 HG3 GLN 45 0.125 -4.945 -5.021 323 HG3 GLN 45 HG2 GLN 45 0.259 -6.669 -5.336 324 HE21 GLN 45 HE21 GLN 45 2.986 -7.098 -4.657 325 HE22 GLN 45 HE22 GLN 45 3.195 -6.796 -3.000 326 H VAL 46 H VAL 46 4.537 -4.233 -7.380 327 HA VAL 46 HA VAL 46 4.620 -2.176 -9.172 328 HB VAL 46 HB VAL 46 6.281 -4.084 -8.944 329 HG11 VAL 46 HG11 VAL 46 4.440 -5.817 -9.422 330 HG12 VAL 46 HG12 VAL 46 5.996 -6.063 -10.217 331 HG13 VAL 46 HG13 VAL 46 4.643 -5.383 -11.120 332 HG21 VAL 46 HG21 VAL 46 6.448 -2.291 -10.671 333 HG22 VAL 46 HG22 VAL 46 5.501 -3.296 -11.767 334 HG23 VAL 46 HG23 VAL 46 7.095 -3.831 -11.236 335 H ALA 47 H ALA 47 2.258 -4.762 -9.312 336 HA ALA 47 HA ALA 47 1.129 -3.441 -11.729 337 HB1 ALA 47 HB1 ALA 47 2.617 -5.418 -12.372 338 HB2 ALA 47 HB2 ALA 47 0.965 -5.449 -12.989 339 HB3 ALA 47 HB3 ALA 47 1.408 -6.445 -11.603 340 H CYS 48 H CYS 48 0.082 -3.278 -9.105 341 HA CYS 48 HA CYS 48 -2.476 -4.762 -9.522 342 HB2 CYS 48 HB3 CYS 48 -0.962 -5.820 -7.730 343 HB3 CYS 48 HB2 CYS 48 -1.299 -4.379 -6.772 344 HA PRO 49 HA PRO 49 -3.272 -0.337 -8.568 345 HB2 PRO 49 HB3 PRO 49 -4.675 0.298 -10.785 346 HB3 PRO 49 HB2 PRO 49 -2.901 0.225 -10.796 347 HG2 PRO 49 HG3 PRO 49 -4.880 -1.714 -11.864 348 HG3 PRO 49 HG2 PRO 49 -3.274 -1.284 -12.474 349 HD2 PRO 49 HD3 PRO 49 -3.894 -3.565 -10.928 350 HD3 PRO 49 HD2 PRO 49 -2.264 -2.935 -11.248 351 H TYR 50 H TYR 50 -4.744 -0.749 -6.888 352 HA TYR 50 HA TYR 50 -7.567 -0.587 -7.512 353 HB2 TYR 50 HB3 TYR 50 -6.428 -3.198 -6.470 354 HB3 TYR 50 HB2 TYR 50 -8.122 -2.754 -6.275 355 HD1 TYR 50 HD1 TYR 50 -9.249 -1.833 -8.550 356 HD2 TYR 50 HD2 TYR 50 -5.878 -4.489 -8.331 357 HE1 TYR 50 HE1 TYR 50 -9.724 -2.628 -10.850 358 HE2 TYR 50 HE2 TYR 50 -6.355 -5.283 -10.631 359 HH TYR 50 HH TYR 50 -8.703 -3.714 -12.666 360 H VAL 51 H VAL 51 -8.543 0.408 -5.734 361 HA VAL 51 HA VAL 51 -6.846 0.622 -3.310 362 HB VAL 51 HB VAL 51 -7.337 2.777 -4.094 363 HG11 VAL 51 HG11 VAL 51 -9.614 3.500 -4.725 364 HG12 VAL 51 HG12 VAL 51 -10.223 1.884 -4.372 365 HG13 VAL 51 HG13 VAL 51 -9.090 2.127 -5.700 366 HG21 VAL 51 HG21 VAL 51 -8.060 2.090 -1.604 367 HG22 VAL 51 HG22 VAL 51 -9.636 2.608 -2.200 368 HG23 VAL 51 HG23 VAL 51 -8.274 3.726 -2.226 369 H GLY 52 H GLY 52 -7.316 -1.018 -1.962 370 HA2 GLY 52 HA3 GLY 52 -10.070 -1.981 -1.678 371 HA3 GLY 52 HA2 GLY 52 -8.655 -2.640 -0.870 372 H CYS 53 H CYS 53 -10.451 -2.536 0.897 373 HA CYS 53 HA CYS 53 -10.630 0.139 2.175 374 HB2 CYS 53 HB3 CYS 53 -11.917 -1.582 3.869 375 HB3 CYS 53 HB2 CYS 53 -12.733 -0.733 2.583 376 H GLY 54 H GLY 54 -10.524 0.027 4.553 377 HA2 GLY 54 HA3 GLY 54 -8.301 -1.722 5.523 378 HA3 GLY 54 HA2 GLY 54 -8.537 -0.051 6.085 379 H GLU 55 H GLU 55 -8.769 -2.376 7.850 380 HA GLU 55 HA GLU 55 -11.071 -3.587 8.436 381 HB2 GLU 55 HB3 GLU 55 -10.877 -3.090 10.764 382 HB3 GLU 55 HB2 GLU 55 -9.239 -3.092 10.116 383 HG2 GLU 55 HG3 GLU 55 -9.551 -0.558 9.791 384 HG3 GLU 55 HG2 GLU 55 -10.949 -0.720 10.853 385 H SER 56 H SER 56 -10.767 -0.110 8.394 386 HA SER 56 HA SER 56 -13.043 0.974 9.353 387 HB2 SER 56 HB3 SER 56 -11.449 1.441 6.947 388 HB3 SER 56 HB2 SER 56 -13.119 1.928 6.732 389 HG SER 56 HG SER 56 -11.707 2.607 9.072 390 H PHE 57 H PHE 57 -12.895 -1.071 6.438 391 HA PHE 57 HA PHE 57 -15.879 -1.366 6.618 392 HB2 PHE 57 HB3 PHE 57 -15.230 -0.235 4.559 393 HB3 PHE 57 HB2 PHE 57 -14.126 -1.529 4.166 394 HD1 PHE 57 HD1 PHE 57 -17.709 -1.081 5.183 395 HD2 PHE 57 HD2 PHE 57 -14.895 -3.202 2.726 396 HE1 PHE 57 HE1 PHE 57 -19.570 -2.353 4.148 397 HE2 PHE 57 HE2 PHE 57 -16.755 -4.473 1.692 398 HZ PHE 57 HZ PHE 57 -19.093 -4.048 2.402 399 H ALA 58 H ALA 58 -13.838 -3.178 4.500 400 HA ALA 58 HA ALA 58 -14.278 -5.630 6.177 401 HB1 ALA 58 HB1 ALA 58 -14.511 -6.912 4.145 402 HB2 ALA 58 HB2 ALA 58 -14.053 -5.526 3.156 403 HB3 ALA 58 HB3 ALA 58 -15.594 -5.526 4.014 404 H ASP 59 H ASP 59 -12.022 -3.487 5.155 405 HA ASP 59 HA ASP 59 -9.699 -3.545 4.949 406 HB2 ASP 59 HB3 ASP 59 -9.661 -4.385 7.173 407 HB3 ASP 59 HB2 ASP 59 -10.232 -5.969 6.675 408 H HIS 60 H HIS 60 -10.437 -4.141 2.540 409 HA HIS 60 HA HIS 60 -10.122 -6.785 1.556 410 HB2 HIS 60 HB3 HIS 60 -9.944 -4.081 0.416 411 HB3 HIS 60 HB2 HIS 60 -8.901 -5.224 -0.397 412 HD2 HIS 60 HD2 HIS 60 -10.577 -7.789 -0.894 413 HE1 HIS 60 HE1 HIS 60 -13.873 -5.381 -1.955 414 HE2 HIS 60 HE2 HIS 60 -12.894 -7.712 -2.078 415 H SER 61 H SER 61 -7.880 -4.399 2.703 416 HA SER 61 HA SER 61 -5.403 -5.206 1.736 417 HB2 SER 61 HB3 SER 61 -6.219 -3.517 3.694 418 HB3 SER 61 HB2 SER 61 -5.526 -4.793 4.684 419 HG SER 61 HG SER 61 -4.262 -2.902 3.360 420 H THR 62 H THR 62 -7.480 -6.953 3.978 421 HA THR 62 HA THR 62 -5.342 -8.885 4.576 422 HB THR 62 HB THR 62 -7.492 -10.018 5.663 423 HG1 THR 62 HG1 THR 62 -8.609 -7.931 6.461 424 HG21 THR 62 HG21 THR 62 -5.848 -7.696 6.662 425 HG22 THR 62 HG22 THR 62 -5.676 -9.408 7.051 426 HG23 THR 62 HG23 THR 62 -7.038 -8.490 7.693 427 H ILE 63 H ILE 63 -8.725 -9.289 3.443 428 HA ILE 63 HA ILE 63 -8.277 -11.871 2.420 429 HB ILE 63 HB ILE 63 -10.286 -11.415 0.944 430 HG12 ILE 63 HG13 ILE 63 -10.422 -8.844 2.519 431 HG13 ILE 63 HG12 ILE 63 -9.709 -8.929 0.910 432 HG21 ILE 63 HG21 ILE 63 -10.486 -12.398 3.198 433 HG22 ILE 63 HG22 ILE 63 -11.829 -11.300 2.881 434 HG23 ILE 63 HG23 ILE 63 -10.491 -10.783 3.908 435 HD11 ILE 63 HD11 ILE 63 -12.484 -9.970 1.495 436 HD12 ILE 63 HD12 ILE 63 -11.764 -9.630 -0.078 437 HD13 ILE 63 HD13 ILE 63 -12.191 -8.302 1.003 438 H HIS 64 H HIS 64 -7.774 -8.730 1.007 439 HA HIS 64 HA HIS 64 -7.286 -9.653 -1.689 440 HB2 HIS 64 HB3 HIS 64 -7.857 -7.283 -1.175 441 HB3 HIS 64 HB2 HIS 64 -6.300 -7.112 -0.359 442 HD1 HIS 64 HD1 HIS 64 -7.840 -6.853 -3.651 443 HD2 HIS 64 HD2 HIS 64 -4.028 -7.691 -2.187 444 HE1 HIS 64 HE1 HIS 64 -6.245 -6.579 -5.602 445 H ALA 65 H ALA 65 -5.194 -8.934 1.117 446 HA ALA 65 HA ALA 65 -2.756 -9.620 -0.371 447 HB1 ALA 65 HB1 ALA 65 -2.531 -8.099 1.512 448 HB2 ALA 65 HB2 ALA 65 -1.728 -9.608 1.948 449 HB3 ALA 65 HB3 ALA 65 -3.329 -9.245 2.589 450 H GLN 66 H GLN 66 -5.250 -11.143 1.281 451 HA GLN 66 HA GLN 66 -3.914 -13.646 1.959 452 HB2 GLN 66 HB3 GLN 66 -5.710 -12.826 3.329 453 HB3 GLN 66 HB2 GLN 66 -6.720 -12.591 1.929 454 HG2 GLN 66 HG3 GLN 66 -7.652 -14.544 2.565 455 HG3 GLN 66 HG2 GLN 66 -6.292 -15.249 1.692 456 HE21 GLN 66 HE21 GLN 66 -7.258 -14.184 4.987 457 HE22 GLN 66 HE22 GLN 66 -6.244 -15.275 5.803 458 H ALA 67 H ALA 67 -6.050 -12.433 -0.604 459 HA ALA 67 HA ALA 67 -6.290 -15.102 -1.810 460 HB1 ALA 67 HB1 ALA 67 -7.529 -12.421 -2.252 461 HB2 ALA 67 HB2 ALA 67 -8.297 -14.000 -2.105 462 HB3 ALA 67 HB3 ALA 67 -7.498 -13.546 -3.611 463 H LYS 68 H LYS 68 -4.877 -11.948 -2.616 464 HA LYS 68 HA LYS 68 -3.552 -13.154 -4.985 465 HB2 LYS 68 HB3 LYS 68 -3.600 -10.281 -4.019 466 HB3 LYS 68 HB2 LYS 68 -2.993 -10.853 -5.570 467 HG2 LYS 68 HG3 LYS 68 -5.121 -10.347 -6.277 468 HG3 LYS 68 HG2 LYS 68 -5.468 -11.953 -5.634 469 HD2 LYS 68 HD3 LYS 68 -6.219 -11.026 -3.535 470 HD3 LYS 68 HD2 LYS 68 -5.704 -9.413 -4.010 471 HE2 LYS 68 HE3 LYS 68 -8.091 -9.549 -4.358 472 HE3 LYS 68 HE2 LYS 68 -7.315 -9.544 -5.941 473 HZ1 LYS 68 HZ1 LYS 68 -9.113 -11.277 -5.494 474 HZ2 LYS 68 HZ2 LYS 68 -7.942 -12.073 -4.555 475 HZ3 LYS 68 HZ3 LYS 68 -7.671 -11.808 -6.210 476 H LYS 69 H LYS 69 -2.940 -13.006 -1.813 477 HA LYS 69 HA LYS 69 -1.012 -13.151 -0.514 478 HB2 LYS 69 HB3 LYS 69 -0.225 -14.193 -3.197 479 HB3 LYS 69 HB2 LYS 69 1.070 -13.862 -2.050 480 HG2 LYS 69 HG3 LYS 69 0.134 -16.221 -1.968 481 HG3 LYS 69 HG2 LYS 69 0.141 -15.364 -0.428 482 HD2 LYS 69 HD3 LYS 69 -2.167 -15.115 -0.394 483 HD3 LYS 69 HD2 LYS 69 -2.305 -15.145 -2.151 484 HE2 LYS 69 HE3 LYS 69 -3.180 -17.217 -0.990 485 HE3 LYS 69 HE2 LYS 69 -1.950 -17.526 -2.216 486 HZ1 LYS 69 HZ1 LYS 69 -1.871 -18.358 0.375 487 HZ2 LYS 69 HZ2 LYS 69 -0.825 -17.019 0.365 488 HZ3 LYS 69 HZ3 LYS 69 -0.557 -18.319 -0.696 489 H HIS 70 H HIS 70 -1.626 -10.589 -2.225 490 HA HIS 70 HA HIS 70 1.027 -9.383 -2.551 491 HB2 HIS 70 HB3 HIS 70 -1.748 -8.142 -2.461 492 HB3 HIS 70 HB2 HIS 70 -0.273 -7.271 -2.855 493 HD2 HIS 70 HD2 HIS 70 0.701 -10.204 -4.631 494 HE1 HIS 70 HE1 HIS 70 -2.217 -8.652 -7.255 495 HE2 HIS 70 HE2 HIS 70 -0.281 -10.274 -7.043 496 H ASN 71 H ASN 71 2.247 -8.720 -0.821 497 HA ASN 71 HA ASN 71 0.942 -8.554 1.818 498 HB2 ASN 71 HB3 ASN 71 3.404 -8.201 2.522 499 HB3 ASN 71 HB2 ASN 71 2.914 -9.782 1.916 500 HD21 ASN 71 HD21 ASN 71 3.184 -9.991 -0.611 501 HD22 ASN 71 HD22 ASN 71 4.598 -9.316 -1.265 502 H LEU 72 H LEU 72 2.875 -6.417 -0.282 503 HA LEU 72 HA LEU 72 2.670 -4.244 1.638 504 HB2 LEU 72 HB3 LEU 72 3.702 -4.388 -1.188 505 HB3 LEU 72 HB2 LEU 72 3.745 -2.918 -0.214 506 HG LEU 72 HG LEU 72 4.914 -5.550 0.707 507 HD11 LEU 72 HD11 LEU 72 6.043 -4.735 -1.351 508 HD12 LEU 72 HD12 LEU 72 7.098 -4.630 0.057 509 HD13 LEU 72 HD13 LEU 72 6.310 -3.181 -0.565 510 HD21 LEU 72 HD21 LEU 72 4.936 -2.700 1.705 511 HD22 LEU 72 HD22 LEU 72 6.263 -3.786 2.111 512 HD23 LEU 72 HD23 LEU 72 4.621 -4.182 2.604 513 H THR 73 H THR 73 1.317 -2.635 1.725 514 HA THR 73 HA THR 73 -0.382 -1.847 -0.546 515 HB THR 73 HB THR 73 -2.465 -2.191 0.534 516 HG1 THR 73 HG1 THR 73 -2.676 -2.235 2.652 517 HG21 THR 73 HG21 THR 73 -1.407 -4.327 -0.200 518 HG22 THR 73 HG22 THR 73 -2.521 -4.547 1.149 519 HG23 THR 73 HG23 THR 73 -0.782 -4.544 1.435 520 H VAL 74 H VAL 74 -1.296 0.376 -0.048 521 HA VAL 74 HA VAL 74 0.242 1.632 2.198 522 HB VAL 74 HB VAL 74 1.265 2.415 0.227 523 HG11 VAL 74 HG11 VAL 74 0.011 3.201 -1.727 524 HG12 VAL 74 HG12 VAL 74 -1.515 2.941 -0.883 525 HG13 VAL 74 HG13 VAL 74 -0.504 1.566 -1.320 526 HG21 VAL 74 HG21 VAL 74 -0.845 4.536 0.694 527 HG22 VAL 74 HG22 VAL 74 0.858 4.757 0.292 528 HG23 VAL 74 HG23 VAL 74 0.398 4.188 1.895 529 H ASN 75 H ASN 75 -0.933 2.519 3.722 530 HA ASN 75 HA ASN 75 -3.814 2.844 3.452 531 HB2 ASN 75 HB3 ASN 75 -2.517 2.203 5.585 532 HB3 ASN 75 HB2 ASN 75 -2.102 3.912 5.702 533 HD21 ASN 75 HD21 ASN 75 -3.736 2.663 7.690 534 HD22 ASN 75 HD22 ASN 75 -5.302 3.309 7.581 535 H LEU 76 H LEU 76 -4.313 4.470 2.017 536 HA LEU 76 HA LEU 76 -2.834 6.936 1.815 537 HB2 LEU 76 HB3 LEU 76 -5.712 6.499 1.001 538 HB3 LEU 76 HB2 LEU 76 -4.548 7.620 0.301 539 HG LEU 76 HG LEU 76 -3.488 4.916 0.263 540 HD11 LEU 76 HD11 LEU 76 -6.024 5.288 -1.331 541 HD12 LEU 76 HD12 LEU 76 -5.952 4.387 0.181 542 HD13 LEU 76 HD13 LEU 76 -5.028 3.843 -1.213 543 HD21 LEU 76 HD21 LEU 76 -2.861 5.463 -1.909 544 HD22 LEU 76 HD22 LEU 76 -2.960 7.054 -1.160 545 HD23 LEU 76 HD23 LEU 76 -4.277 6.469 -2.175 546 H THR 77 H THR 77 -4.205 5.928 4.434 547 HA THR 77 HA THR 77 -5.791 8.334 5.122 548 HB THR 77 HB THR 77 -5.109 5.879 6.764 549 HG1 THR 77 HG1 THR 77 -6.429 5.144 5.256 550 HG21 THR 77 HG21 THR 77 -7.085 6.696 8.116 551 HG22 THR 77 HG22 THR 77 -7.008 8.195 7.190 552 HG23 THR 77 HG23 THR 77 -5.652 7.719 8.210 553 H THR 78 H THR 78 -2.832 6.617 5.993 554 HA THR 78 HA THR 78 -1.931 9.045 7.495 555 HB THR 78 HB THR 78 -0.867 6.243 7.871 556 HG1 THR 78 HG1 THR 78 -2.978 7.599 9.191 557 HG21 THR 78 HG21 THR 78 0.591 7.975 8.717 558 HG22 THR 78 HG22 THR 78 -0.221 7.235 10.097 559 HG23 THR 78 HG23 THR 78 -0.761 8.800 9.493 560 H PHE 79 H PHE 79 -1.290 7.013 4.808 561 HA PHE 79 HA PHE 79 0.311 7.332 3.110 562 HB2 PHE 79 HB3 PHE 79 0.331 9.768 4.204 563 HB3 PHE 79 HB2 PHE 79 1.922 9.246 4.755 564 HD1 PHE 79 HD1 PHE 79 -0.199 9.258 1.658 565 HD2 PHE 79 HD2 PHE 79 3.752 9.523 3.326 566 HE1 PHE 79 HE1 PHE 79 0.725 9.700 -0.601 567 HE2 PHE 79 HE2 PHE 79 4.674 9.965 1.067 568 HZ PHE 79 HZ PHE 79 3.161 10.054 -0.896 569 H ARG 80 H ARG 80 0.568 5.154 4.597 570 HA ARG 80 HA ARG 80 3.502 4.823 4.805 571 HB2 ARG 80 HB3 ARG 80 2.616 3.218 6.876 572 HB3 ARG 80 HB2 ARG 80 3.405 4.779 7.081 573 HG2 ARG 80 HG3 ARG 80 1.371 5.901 7.436 574 HG3 ARG 80 HG2 ARG 80 0.422 4.634 6.656 575 HD2 ARG 80 HD3 ARG 80 0.967 3.095 8.510 576 HD3 ARG 80 HD2 ARG 80 1.885 4.370 9.301 577 HE ARG 80 HE ARG 80 -0.181 5.470 9.844 578 HH11 ARG 80 HH11 ARG 80 -2.394 5.299 10.251 579 HH12 ARG 80 HH12 ARG 80 -3.296 4.002 9.541 580 HH21 ARG 80 HH21 ARG 80 -0.563 2.631 7.911 581 HH22 ARG 80 HH22 ARG 80 -2.260 2.494 8.220 582 H LEU 81 H LEU 81 3.751 2.230 5.224 583 HA LEU 81 HA LEU 81 1.827 0.973 3.313 584 HB2 LEU 81 HB3 LEU 81 4.773 0.825 3.584 585 HB3 LEU 81 HB2 LEU 81 3.954 -0.640 3.075 586 HG LEU 81 HG LEU 81 3.137 1.877 1.725 587 HD11 LEU 81 HD11 LEU 81 5.101 1.746 0.174 588 HD12 LEU 81 HD12 LEU 81 5.847 0.597 1.286 589 HD13 LEU 81 HD13 LEU 81 5.531 2.251 1.809 590 HD21 LEU 81 HD21 LEU 81 2.646 -0.783 1.305 591 HD22 LEU 81 HD22 LEU 81 3.993 -0.526 0.203 592 HD23 LEU 81 HD23 LEU 81 2.528 0.441 0.044 593 H TRP 82 H TRP 82 1.950 -1.503 3.548 594 HA TRP 82 HA TRP 82 2.287 -2.437 6.318 595 HB2 TRP 82 HB3 TRP 82 -0.001 -1.590 6.385 596 HB3 TRP 82 HB2 TRP 82 -0.395 -2.444 4.894 597 HD1 TRP 82 HD TRP 82 -0.398 -5.153 5.005 598 HE1 TRP 82 HE1 TRP 82 -0.904 -6.740 6.972 599 HE3 TRP 82 HE3 TRP 82 0.137 -1.912 8.917 600 HZ2 TRP 82 HZ2 TRP 82 -1.062 -6.647 9.826 601 HZ3 TRP 82 HZ3 TRP 82 -0.197 -2.688 11.246 602 HH2 TRP 82 HH2 TRP 82 -0.795 -5.049 11.707 603 H CYS 83 H CYS 83 3.537 -4.192 5.882 604 HA CYS 83 HA CYS 83 3.080 -5.714 3.395 605 HB2 CYS 83 HB3 CYS 83 5.370 -4.976 4.653 606 HB3 CYS 83 HB2 CYS 83 5.142 -6.583 5.332 607 H TYR 84 H TYR 84 1.452 -7.251 3.604 608 HA TYR 84 HA TYR 84 0.880 -8.498 6.170 609 HB2 TYR 84 HB3 TYR 84 -0.686 -8.280 4.054 610 HB3 TYR 84 HB2 TYR 84 0.137 -9.747 3.516 611 HD1 TYR 84 HD1 TYR 84 -0.644 -11.832 4.236 612 HD2 TYR 84 HD2 TYR 84 -1.585 -8.323 6.527 613 HE1 TYR 84 HE1 TYR 84 -2.086 -13.191 5.727 614 HE2 TYR 84 HE2 TYR 84 -3.025 -9.682 8.019 615 HH TYR 84 HH TYR 84 -3.150 -12.150 8.702 616 H ALA 85 H ALA 85 3.493 -8.624 4.288 617 HA ALA 85 HA ALA 85 4.036 -11.518 4.674 618 HB1 ALA 85 HB1 ALA 85 6.198 -10.843 3.379 619 HB2 ALA 85 HB2 ALA 85 5.309 -9.377 2.971 620 HB3 ALA 85 HB3 ALA 85 4.691 -10.953 2.478 621 H CYS 86 H CYS 86 6.026 -8.520 4.872 622 HA CYS 86 HA CYS 86 7.610 -9.524 7.050 623 HB2 CYS 86 HB3 CYS 86 7.042 -6.620 6.330 624 HB3 CYS 86 HB2 CYS 86 8.407 -7.221 7.265 625 H GLU 87 H GLU 87 4.462 -8.498 6.665 626 HA GLU 87 HA GLU 87 2.737 -7.880 8.114 627 HB2 GLU 87 HB3 GLU 87 4.152 -10.161 9.085 628 HB3 GLU 87 HB2 GLU 87 3.646 -9.205 10.466 629 HG2 GLU 87 HG3 GLU 87 1.762 -9.918 8.217 630 HG3 GLU 87 HG2 GLU 87 1.960 -10.928 9.648 631 H LYS 88 H LYS 88 4.007 -5.721 7.940 632 HA LYS 88 HA LYS 88 4.049 -4.563 10.619 633 HB2 LYS 88 HB3 LYS 88 6.413 -3.604 10.211 634 HB3 LYS 88 HB2 LYS 88 6.312 -5.293 10.717 635 HG2 LYS 88 HG3 LYS 88 6.601 -6.065 8.463 636 HG3 LYS 88 HG2 LYS 88 6.440 -4.437 7.816 637 HD2 LYS 88 HD3 LYS 88 8.797 -4.987 7.857 638 HD3 LYS 88 HD2 LYS 88 8.497 -3.794 9.120 639 HE2 LYS 88 HE3 LYS 88 8.345 -6.721 9.792 640 HE3 LYS 88 HE2 LYS 88 9.918 -5.935 9.677 641 HZ1 LYS 88 HZ1 LYS 88 8.244 -5.906 11.839 642 HZ2 LYS 88 HZ2 LYS 88 8.053 -4.364 11.151 643 HZ3 LYS 88 HZ3 LYS 88 9.597 -4.911 11.602 644 H GLU 89 H GLU 89 5.022 -2.123 10.203 645 HA GLU 89 HA GLU 89 3.587 -1.149 7.763 646 HB2 GLU 89 HB3 GLU 89 3.303 -0.445 10.483 647 HB3 GLU 89 HB2 GLU 89 4.154 0.908 9.743 648 HG2 GLU 89 HG3 GLU 89 2.412 1.339 8.225 649 HG3 GLU 89 HG2 GLU 89 1.721 -0.272 8.406 650 H VAL 90 H VAL 90 4.677 0.373 6.407 651 HA VAL 90 HA VAL 90 7.375 1.247 7.244 652 HB VAL 90 HB VAL 90 7.966 0.321 4.709 653 HG11 VAL 90 HG11 VAL 90 9.230 -1.442 5.873 654 HG12 VAL 90 HG12 VAL 90 8.273 -1.174 7.331 655 HG13 VAL 90 HG13 VAL 90 9.353 0.089 6.740 656 HG21 VAL 90 HG21 VAL 90 7.057 -1.850 4.401 657 HG22 VAL 90 HG22 VAL 90 5.669 -0.859 4.846 658 HG23 VAL 90 HG23 VAL 90 6.421 -1.910 6.045 659 H PHE 91 H PHE 91 8.086 3.052 6.103 660 HA PHE 91 HA PHE 91 6.033 4.386 4.401 661 HB2 PHE 91 HB3 PHE 91 8.475 5.505 5.807 662 HB3 PHE 91 HB2 PHE 91 7.329 6.444 4.855 663 HD1 PHE 91 HD1 PHE 91 5.474 7.412 5.917 664 HD2 PHE 91 HD2 PHE 91 7.437 4.061 7.753 665 HE1 PHE 91 HE1 PHE 91 4.010 7.645 7.904 666 HE2 PHE 91 HE2 PHE 91 5.973 4.294 9.741 667 HZ PHE 91 HZ PHE 91 4.259 6.086 9.817 668 H LEU 92 H LEU 92 7.056 5.797 2.630 669 HA LEU 92 HA LEU 92 8.439 4.281 0.749 670 HB2 LEU 92 HB3 LEU 92 8.921 7.249 1.103 671 HB3 LEU 92 HB2 LEU 92 8.920 6.322 -0.396 672 HG LEU 92 HG LEU 92 6.527 6.923 1.364 673 HD11 LEU 92 HD11 LEU 92 7.412 8.710 -0.213 674 HD12 LEU 92 HD12 LEU 92 5.741 8.220 -0.497 675 HD13 LEU 92 HD13 LEU 92 7.028 7.616 -1.541 676 HD21 LEU 92 HD21 LEU 92 5.320 5.752 -0.601 677 HD22 LEU 92 HD22 LEU 92 6.153 4.721 0.563 678 HD23 LEU 92 HD23 LEU 92 6.898 5.072 -0.997 679 H GLU 93 H GLU 93 10.621 3.939 0.349 680 HA GLU 93 HA GLU 93 12.409 3.538 2.425 681 HB2 GLU 93 HB3 GLU 93 14.202 3.911 0.537 682 HB3 GLU 93 HB2 GLU 93 13.063 2.572 0.409 683 HG2 GLU 93 HG3 GLU 93 12.093 5.148 -0.706 684 HG3 GLU 93 HG2 GLU 93 13.449 4.420 -1.570 685 H GLN 94 H GLN 94 11.233 6.534 1.691 686 HA GLN 94 HA GLN 94 11.879 8.685 2.340 687 HB2 GLN 94 HB3 GLN 94 14.213 7.433 3.788 688 HB3 GLN 94 HB2 GLN 94 13.332 8.904 4.194 689 HG2 GLN 94 HG3 GLN 94 11.270 7.388 4.480 690 HG3 GLN 94 HG2 GLN 94 12.410 6.041 4.479 691 HE21 GLN 94 HE21 GLN 94 14.224 6.202 6.160 692 HE22 GLN 94 HE22 GLN 94 13.869 6.955 7.639 693 H ARG 95 H ARG 95 14.352 6.552 1.019 694 HA ARG 95 HA ARG 95 16.423 8.330 0.468 695 HB2 ARG 95 HB3 ARG 95 17.168 6.781 -1.090 696 HB3 ARG 95 HB2 ARG 95 16.020 5.791 -0.198 697 HG2 ARG 95 HG3 ARG 95 15.406 5.363 -2.409 698 HG3 ARG 95 HG2 ARG 95 14.280 6.639 -1.959 699 HD2 ARG 95 HD3 ARG 95 15.039 7.773 -3.772 700 HD3 ARG 95 HD2 ARG 95 16.544 8.017 -2.888 701 HE ARG 95 HE ARG 95 17.554 6.343 -4.227 702 HH11 ARG 95 HH11 ARG 95 17.530 4.921 -5.983 703 HH12 ARG 95 HH12 ARG 95 16.019 4.481 -6.703 704 HH21 ARG 95 HH21 ARG 95 14.121 6.416 -4.541 705 HH22 ARG 95 HH22 ARG 95 14.088 5.327 -5.888 706 H LEU 96 H LEU 96 13.288 8.080 -1.096 707 HA LEU 96 HA LEU 96 14.018 10.212 -3.027 708 HB2 LEU 96 HB3 LEU 96 11.753 9.795 -3.962 709 HB3 LEU 96 HB2 LEU 96 12.724 8.326 -3.893 710 HG LEU 96 HG LEU 96 11.508 8.278 -1.425 711 HD11 LEU 96 HD11 LEU 96 10.088 10.208 -1.944 712 HD12 LEU 96 HD12 LEU 96 9.103 8.749 -1.845 713 HD13 LEU 96 HD13 LEU 96 9.526 9.421 -3.419 714 HD21 LEU 96 HD21 LEU 96 10.465 7.137 -4.039 715 HD22 LEU 96 HD22 LEU 96 10.016 6.566 -2.432 716 HD23 LEU 96 HD23 LEU 96 11.677 6.394 -2.996 717 H ALA 97 H ALA 97 11.840 11.733 -3.293 718 HA ALA 97 HA ALA 97 10.809 12.560 -0.662 719 HB1 ALA 97 HB1 ALA 97 12.458 14.488 -2.323 720 HB2 ALA 97 HB2 ALA 97 13.048 13.682 -0.869 721 HB3 ALA 97 HB3 ALA 97 11.702 14.817 -0.765 722 H ALA 98 H ALA 98 9.780 15.027 -1.341 723 HA ALA 98 HA ALA 98 7.960 15.981 -2.464 724 HB1 ALA 98 HB1 ALA 98 8.239 14.740 -5.050 725 HB2 ALA 98 HB2 ALA 98 9.842 15.134 -4.432 726 HB3 ALA 98 HB3 ALA 98 8.623 16.398 -4.585 727 HA PRO 99 HA PRO 99 4.359 13.454 -2.489 728 HB2 PRO 99 HB3 PRO 99 4.107 13.911 -5.445 729 HB3 PRO 99 HB2 PRO 99 2.876 14.056 -4.175 730 HG2 PRO 99 HG3 PRO 99 4.073 16.203 -5.223 731 HG3 PRO 99 HG2 PRO 99 3.602 16.130 -3.517 732 HD2 PRO 99 HD3 PRO 99 6.316 16.045 -4.706 733 HD3 PRO 99 HD2 PRO 99 5.820 16.500 -3.063 Start of MODEL 16 1 H1 MET 1 H1 MET 1 18.463 -5.889 0.510 2 HA MET 1 HA MET 1 17.520 -4.620 2.589 3 HB2 MET 1 HB3 MET 1 20.532 -4.374 2.742 4 HB3 MET 1 HB2 MET 1 19.444 -3.181 3.452 5 HG2 MET 1 HG3 MET 1 19.166 -6.121 4.077 6 HG3 MET 1 HG2 MET 1 20.272 -5.091 4.985 7 HE1 MET 1 HE1 MET 1 19.281 -3.706 7.239 8 HE2 MET 1 HE2 MET 1 18.254 -2.436 6.579 9 HE3 MET 1 HE3 MET 1 19.731 -2.894 5.736 10 H GLY 2 H GLY 2 16.610 -2.940 1.511 11 HA2 GLY 2 HA3 GLY 2 17.699 -2.057 -1.042 12 HA3 GLY 2 HA2 GLY 2 16.253 -1.418 -0.258 13 H ASP 3 H ASP 3 16.614 0.094 1.579 14 HA ASP 3 HA ASP 3 19.260 1.481 1.466 15 HB2 ASP 3 HB3 ASP 3 16.504 2.717 1.255 16 HB3 ASP 3 HB2 ASP 3 17.946 3.650 1.657 17 H SER 4 H SER 4 16.687 2.968 3.194 18 HA SER 4 HA SER 4 18.027 2.315 5.741 19 HB2 SER 4 HB3 SER 4 16.707 4.069 6.693 20 HB3 SER 4 HB2 SER 4 17.205 4.649 5.106 21 HG SER 4 HG SER 4 15.109 4.956 4.945 22 H ARG 5 H ARG 5 16.794 1.474 7.580 23 HA ARG 5 HA ARG 5 15.453 -0.894 7.231 24 HB2 ARG 5 HB3 ARG 5 14.048 0.202 9.378 25 HB3 ARG 5 HB2 ARG 5 15.578 -0.665 9.485 26 HG2 ARG 5 HG3 ARG 5 16.843 1.361 9.416 27 HG3 ARG 5 HG2 ARG 5 15.435 2.306 8.929 28 HD2 ARG 5 HD3 ARG 5 14.659 2.480 11.069 29 HD3 ARG 5 HD2 ARG 5 15.095 0.818 11.464 30 HE ARG 5 HE ARG 5 17.408 2.577 11.195 31 HH11 ARG 5 HH11 ARG 5 18.557 2.950 13.107 32 HH12 ARG 5 HH12 ARG 5 17.836 2.544 14.628 33 HH21 ARG 5 HH21 ARG 5 14.894 1.366 13.221 34 HH22 ARG 5 HH22 ARG 5 15.763 1.646 14.692 35 H ASP 6 H ASP 6 13.926 2.320 7.215 36 HA ASP 6 HA ASP 6 11.240 1.768 7.090 37 HB2 ASP 6 HB3 ASP 6 12.767 3.943 6.455 38 HB3 ASP 6 HB2 ASP 6 12.152 3.506 4.864 39 H LEU 7 H LEU 7 13.638 0.872 4.726 40 HA LEU 7 HA LEU 7 11.729 0.213 2.641 41 HB2 LEU 7 HB3 LEU 7 13.570 -0.138 1.339 42 HB3 LEU 7 HB2 LEU 7 14.407 0.678 2.648 43 HG LEU 7 HG LEU 7 15.674 -1.277 2.161 44 HD11 LEU 7 HD11 LEU 7 14.534 -2.717 4.352 45 HD12 LEU 7 HD12 LEU 7 14.404 -0.995 4.697 46 HD13 LEU 7 HD13 LEU 7 15.971 -1.702 4.330 47 HD21 LEU 7 HD21 LEU 7 14.822 -3.186 1.330 48 HD22 LEU 7 HD22 LEU 7 13.264 -2.367 1.276 49 HD23 LEU 7 HD23 LEU 7 13.691 -3.364 2.668 50 H CYS 8 H CYS 8 11.297 -1.997 1.885 51 HA CYS 8 HA CYS 8 11.530 -4.056 4.041 52 HB2 CYS 8 HB3 CYS 8 9.275 -4.114 4.223 53 HB3 CYS 8 HB2 CYS 8 9.110 -2.884 2.972 54 HA PRO 9 HA PRO 9 13.236 -6.826 1.080 55 HB2 PRO 9 HB3 PRO 9 11.635 -9.083 1.418 56 HB3 PRO 9 HB2 PRO 9 12.969 -8.628 2.485 57 HG2 PRO 9 HG3 PRO 9 10.067 -8.089 2.791 58 HG3 PRO 9 HG2 PRO 9 11.204 -8.673 4.008 59 HD2 PRO 9 HD3 PRO 9 10.501 -6.111 4.013 60 HD3 PRO 9 HD2 PRO 9 12.215 -6.535 4.244 61 H HIS 10 H HIS 10 9.711 -7.309 1.084 62 HA HIS 10 HA HIS 10 9.626 -7.799 -1.790 63 HB2 HIS 10 HB3 HIS 10 7.157 -7.076 -0.216 64 HB3 HIS 10 HB2 HIS 10 7.362 -8.269 -1.496 65 HD2 HIS 10 HD2 HIS 10 8.168 -10.812 -0.647 66 HE1 HIS 10 HE1 HIS 10 8.394 -9.927 3.472 67 HE2 HIS 10 HE2 HIS 10 8.471 -11.784 1.751 68 H LEU 11 H LEU 11 10.136 -5.055 -0.083 69 HA LEU 11 HA LEU 11 8.376 -3.199 -1.423 70 HB2 LEU 11 HB3 LEU 11 9.646 -2.875 0.780 71 HB3 LEU 11 HB2 LEU 11 11.058 -2.546 -0.211 72 HG LEU 11 HG LEU 11 8.602 -1.059 -0.972 73 HD11 LEU 11 HD11 LEU 11 9.274 0.654 0.900 74 HD12 LEU 11 HD12 LEU 11 9.908 -0.777 1.714 75 HD13 LEU 11 HD13 LEU 11 8.200 -0.689 1.290 76 HD21 LEU 11 HD21 LEU 11 11.371 -0.001 -0.393 77 HD22 LEU 11 HD22 LEU 11 10.159 0.656 -1.491 78 HD23 LEU 11 HD23 LEU 11 11.004 -0.836 -1.901 79 H ASP 12 H ASP 12 11.415 -4.682 -2.233 80 HA ASP 12 HA ASP 12 11.953 -2.752 -4.400 81 HB2 ASP 12 HB3 ASP 12 13.863 -3.685 -3.199 82 HB3 ASP 12 HB2 ASP 12 13.329 -5.324 -3.576 83 H SER 13 H SER 13 10.323 -5.756 -3.917 84 HA SER 13 HA SER 13 10.459 -6.597 -6.719 85 HB2 SER 13 HB3 SER 13 10.215 -8.154 -4.716 86 HB3 SER 13 HB2 SER 13 8.549 -7.595 -4.594 87 HG SER 13 HG SER 13 9.238 -8.263 -7.139 88 H ILE 14 H ILE 14 8.390 -4.553 -4.804 89 HA ILE 14 HA ILE 14 6.127 -4.758 -6.685 90 HB ILE 14 HB ILE 14 5.170 -2.943 -5.257 91 HG12 ILE 14 HG13 ILE 14 7.594 -3.350 -3.514 92 HG13 ILE 14 HG12 ILE 14 7.510 -2.041 -4.688 93 HG21 ILE 14 HG21 ILE 14 5.093 -5.493 -4.763 94 HG22 ILE 14 HG22 ILE 14 4.682 -4.393 -3.448 95 HG23 ILE 14 HG23 ILE 14 6.277 -5.136 -3.510 96 HD11 ILE 14 HD11 ILE 14 6.719 -1.592 -2.231 97 HD12 ILE 14 HD12 ILE 14 5.256 -2.436 -2.737 98 HD13 ILE 14 HD13 ILE 14 5.759 -0.967 -3.571 99 H GLY 15 H GLY 15 8.968 -2.769 -6.271 100 HA2 GLY 15 HA3 GLY 15 9.812 -1.059 -7.652 101 HA3 GLY 15 HA2 GLY 15 8.531 -1.445 -8.801 102 H GLU 16 H GLU 16 8.133 0.831 -9.148 103 HA GLU 16 HA GLU 16 6.604 2.107 -6.911 104 HB2 GLU 16 HB3 GLU 16 8.790 3.226 -7.157 105 HB3 GLU 16 HB2 GLU 16 8.471 3.482 -8.871 106 HG2 GLU 16 HG3 GLU 16 7.986 5.500 -7.469 107 HG3 GLU 16 HG2 GLU 16 6.573 4.927 -8.353 108 H VAL 17 H VAL 17 4.560 1.681 -7.721 109 HA VAL 17 HA VAL 17 3.838 1.805 -10.487 110 HB VAL 17 HB VAL 17 2.612 0.835 -8.313 111 HG11 VAL 17 HG11 VAL 17 0.874 2.175 -7.461 112 HG12 VAL 17 HG12 VAL 17 0.987 3.327 -8.790 113 HG13 VAL 17 HG13 VAL 17 2.244 3.283 -7.554 114 HG21 VAL 17 HG21 VAL 17 1.519 1.761 -10.952 115 HG22 VAL 17 HG22 VAL 17 0.405 1.099 -9.757 116 HG23 VAL 17 HG23 VAL 17 1.746 0.120 -10.349 117 H THR 18 H THR 18 1.697 3.519 -10.777 118 HA THR 18 HA THR 18 2.997 6.063 -11.164 119 HB THR 18 HB THR 18 0.218 6.504 -11.243 120 HG1 THR 18 HG1 THR 18 -0.668 4.677 -11.757 121 HG21 THR 18 HG21 THR 18 2.134 5.633 -13.426 122 HG22 THR 18 HG22 THR 18 1.837 7.291 -12.903 123 HG23 THR 18 HG23 THR 18 0.557 6.374 -13.699 124 H LYS 19 H LYS 19 3.126 7.775 -9.797 125 HA LYS 19 HA LYS 19 2.420 7.503 -7.032 126 HB2 LYS 19 HB3 LYS 19 2.576 10.291 -7.767 127 HB3 LYS 19 HB2 LYS 19 3.755 9.330 -6.875 128 HG2 LYS 19 HG3 LYS 19 4.318 8.410 -9.319 129 HG3 LYS 19 HG2 LYS 19 3.642 9.964 -9.799 130 HD2 LYS 19 HD3 LYS 19 5.859 10.572 -9.491 131 HD3 LYS 19 HD2 LYS 19 5.250 10.853 -7.860 132 HE2 LYS 19 HE3 LYS 19 5.889 8.374 -7.417 133 HE3 LYS 19 HE2 LYS 19 6.850 8.508 -8.889 134 HZ1 LYS 19 HZ1 LYS 19 7.125 10.630 -6.900 135 HZ2 LYS 19 HZ2 LYS 19 8.288 9.957 -7.939 136 HZ3 LYS 19 HZ3 LYS 19 7.818 9.128 -6.532 137 H GLU 20 H GLU 20 1.020 9.533 -9.605 138 HA GLU 20 HA GLU 20 -1.216 10.526 -8.349 139 HB2 GLU 20 HB3 GLU 20 -0.897 11.165 -10.584 140 HB3 GLU 20 HB2 GLU 20 -0.829 9.489 -11.136 141 HG2 GLU 20 HG3 GLU 20 -3.244 9.253 -10.459 142 HG3 GLU 20 HG2 GLU 20 -3.263 10.980 -10.105 143 H ASP 21 H ASP 21 -0.641 7.259 -9.546 144 HA ASP 21 HA ASP 21 -3.225 6.168 -9.242 145 HB2 ASP 21 HB3 ASP 21 -0.999 5.016 -9.994 146 HB3 ASP 21 HB2 ASP 21 -0.795 4.650 -8.286 147 H LEU 22 H LEU 22 -0.710 6.785 -6.836 148 HA LEU 22 HA LEU 22 -2.267 5.772 -4.613 149 HB2 LEU 22 HB3 LEU 22 0.177 7.536 -4.810 150 HB3 LEU 22 HB2 LEU 22 -0.592 7.192 -3.261 151 HG LEU 22 HG LEU 22 -0.271 4.802 -3.578 152 HD11 LEU 22 HD11 LEU 22 -0.537 4.455 -5.897 153 HD12 LEU 22 HD12 LEU 22 1.176 4.140 -5.629 154 HD13 LEU 22 HD13 LEU 22 0.660 5.682 -6.308 155 HD21 LEU 22 HD21 LEU 22 2.281 6.280 -4.290 156 HD22 LEU 22 HD22 LEU 22 2.164 4.719 -3.479 157 HD23 LEU 22 HD23 LEU 22 1.612 6.181 -2.662 158 H LEU 23 H LEU 23 -2.183 8.650 -6.445 159 HA LEU 23 HA LEU 23 -3.479 10.325 -4.426 160 HB2 LEU 23 HB3 LEU 23 -3.125 10.755 -7.414 161 HB3 LEU 23 HB2 LEU 23 -3.509 11.994 -6.243 162 HG LEU 23 HG LEU 23 -0.934 10.394 -6.441 163 HD11 LEU 23 HD11 LEU 23 -1.043 13.381 -6.227 164 HD12 LEU 23 HD12 LEU 23 -1.588 12.675 -7.748 165 HD13 LEU 23 HD13 LEU 23 0.045 12.357 -7.164 166 HD21 LEU 23 HD21 LEU 23 -1.253 10.522 -4.107 167 HD22 LEU 23 HD22 LEU 23 -2.048 12.094 -4.201 168 HD23 LEU 23 HD23 LEU 23 -0.307 11.969 -4.449 169 H LEU 24 H LEU 24 -4.556 8.808 -7.535 170 HA LEU 24 HA LEU 24 -7.310 9.540 -7.051 171 HB2 LEU 24 HB3 LEU 24 -7.908 7.931 -8.769 172 HB3 LEU 24 HB2 LEU 24 -6.517 8.876 -9.311 173 HG LEU 24 HG LEU 24 -5.240 6.792 -8.114 174 HD11 LEU 24 HD11 LEU 24 -7.534 5.728 -7.703 175 HD12 LEU 24 HD12 LEU 24 -6.371 4.722 -8.560 176 HD13 LEU 24 HD13 LEU 24 -7.653 5.540 -9.449 177 HD21 LEU 24 HD21 LEU 24 -4.707 7.514 -10.339 178 HD22 LEU 24 HD22 LEU 24 -6.298 7.058 -10.937 179 HD23 LEU 24 HD23 LEU 24 -5.143 5.812 -10.470 180 H LYS 25 H LYS 25 -5.367 6.614 -6.373 181 HA LYS 25 HA LYS 25 -7.374 4.978 -5.294 182 HB2 LYS 25 HB3 LYS 25 -4.511 5.451 -4.433 183 HB3 LYS 25 HB2 LYS 25 -5.533 4.260 -3.634 184 HG2 LYS 25 HG3 LYS 25 -5.771 2.972 -5.615 185 HG3 LYS 25 HG2 LYS 25 -5.174 4.277 -6.634 186 HD2 LYS 25 HD3 LYS 25 -2.945 3.947 -5.984 187 HD3 LYS 25 HD2 LYS 25 -3.396 3.139 -4.491 188 HE2 LYS 25 HE3 LYS 25 -4.447 1.362 -6.186 189 HE3 LYS 25 HE2 LYS 25 -3.230 2.040 -7.267 190 HZ1 LYS 25 HZ1 LYS 25 -2.268 1.482 -4.611 191 HZ2 LYS 25 HZ2 LYS 25 -1.582 1.103 -6.119 192 HZ3 LYS 25 HZ3 LYS 25 -2.782 0.102 -5.451 193 H SER 26 H SER 26 -5.639 7.690 -3.838 194 HA SER 26 HA SER 26 -6.999 7.613 -1.290 195 HB2 SER 26 HB3 SER 26 -4.778 8.840 -2.029 196 HB3 SER 26 HB2 SER 26 -5.866 10.124 -2.519 197 HG SER 26 HG SER 26 -6.749 9.552 -0.215 198 H LYS 27 H LYS 27 -8.368 7.888 -4.172 199 HA LYS 27 HA LYS 27 -9.728 10.297 -4.375 200 HB2 LYS 27 HB3 LYS 27 -11.687 8.832 -5.291 201 HB3 LYS 27 HB2 LYS 27 -10.152 8.866 -6.152 202 HG2 LYS 27 HG3 LYS 27 -9.674 6.687 -5.670 203 HG3 LYS 27 HG2 LYS 27 -10.364 6.784 -4.043 204 HD2 LYS 27 HD3 LYS 27 -11.729 5.297 -5.409 205 HD3 LYS 27 HD2 LYS 27 -12.647 6.769 -5.086 206 HE2 LYS 27 HE3 LYS 27 -11.983 7.673 -7.282 207 HE3 LYS 27 HE2 LYS 27 -11.047 6.215 -7.604 208 HZ1 LYS 27 HZ1 LYS 27 -13.040 4.908 -7.515 209 HZ2 LYS 27 HZ2 LYS 27 -13.273 6.180 -8.617 210 HZ3 LYS 27 HZ3 LYS 27 -13.968 6.256 -7.068 211 H GLY 28 H GLY 28 -10.840 7.466 -2.397 212 HA2 GLY 28 HA3 GLY 28 -11.628 8.534 -0.127 213 HA3 GLY 28 HA2 GLY 28 -12.809 9.321 -1.159 214 H THR 29 H THR 29 -12.094 6.203 -2.336 215 HA THR 29 HA THR 29 -14.097 4.888 -0.607 216 HB THR 29 HB THR 29 -15.744 4.577 -2.207 217 HG1 THR 29 HG1 THR 29 -13.687 5.096 -4.049 218 HG21 THR 29 HG21 THR 29 -16.228 6.747 -3.250 219 HG22 THR 29 HG22 THR 29 -14.567 7.261 -2.965 220 HG23 THR 29 HG23 THR 29 -15.649 6.968 -1.602 221 H CYS 30 H CYS 30 -13.961 2.652 -0.659 222 HA CYS 30 HA CYS 30 -11.604 1.412 -1.742 223 HB2 CYS 30 HB3 CYS 30 -12.688 0.383 0.173 224 HB3 CYS 30 HB2 CYS 30 -14.201 0.220 -0.711 225 H GLN 31 H GLN 31 -11.296 0.635 -3.807 226 HA GLN 31 HA GLN 31 -13.134 1.239 -5.881 227 HB2 GLN 31 HB3 GLN 31 -11.757 -0.343 -7.287 228 HB3 GLN 31 HB2 GLN 31 -10.842 0.931 -6.489 229 HG2 GLN 31 HG3 GLN 31 -9.613 -1.107 -6.177 230 HG3 GLN 31 HG2 GLN 31 -10.362 -0.730 -4.633 231 HE21 GLN 31 HE21 GLN 31 -12.094 -2.084 -7.444 232 HE22 GLN 31 HE22 GLN 31 -12.462 -3.568 -6.706 233 H SER 32 H SER 32 -13.034 -1.510 -3.759 234 HA SER 32 HA SER 32 -14.997 -2.930 -5.513 235 HB2 SER 32 HB3 SER 32 -13.209 -3.873 -3.271 236 HB3 SER 32 HB2 SER 32 -14.540 -4.851 -3.883 237 HG SER 32 HG SER 32 -13.339 -5.334 -5.526 238 H CYS 33 H CYS 33 -14.512 -1.668 -2.234 239 HA CYS 33 HA CYS 33 -17.359 -2.308 -1.606 240 HB2 CYS 33 HB3 CYS 33 -15.229 -1.284 0.288 241 HB3 CYS 33 HB2 CYS 33 -16.771 -2.016 0.707 242 H GLY 34 H GLY 34 -15.224 0.308 -2.361 243 HA2 GLY 34 HA3 GLY 34 -15.527 2.637 -2.282 244 HA3 GLY 34 HA2 GLY 34 -17.171 2.248 -2.793 245 H VAL 35 H VAL 35 -15.270 1.926 0.212 246 HA VAL 35 HA VAL 35 -17.690 2.571 1.771 247 HB VAL 35 HB VAL 35 -16.112 1.965 3.716 248 HG11 VAL 35 HG11 VAL 35 -16.031 -0.506 2.336 249 HG12 VAL 35 HG12 VAL 35 -17.431 0.342 1.693 250 HG13 VAL 35 HG13 VAL 35 -17.294 0.061 3.425 251 HG21 VAL 35 HG21 VAL 35 -14.406 0.676 1.612 252 HG22 VAL 35 HG22 VAL 35 -13.991 1.133 3.263 253 HG23 VAL 35 HG23 VAL 35 -14.103 2.367 2.010 254 H THR 36 H THR 36 -14.414 3.989 1.267 255 HA THR 36 HA THR 36 -15.195 6.634 1.615 256 HB THR 36 HB THR 36 -16.004 6.423 3.805 257 HG1 THR 36 HG1 THR 36 -14.622 7.612 4.912 258 HG21 THR 36 HG21 THR 36 -14.275 5.097 5.443 259 HG22 THR 36 HG22 THR 36 -14.027 4.214 3.939 260 HG23 THR 36 HG23 THR 36 -15.641 4.324 4.643 261 H GLY 37 H GLY 37 -13.219 7.948 2.758 262 HA2 GLY 37 HA3 GLY 37 -10.809 6.987 1.349 263 HA3 GLY 37 HA2 GLY 37 -11.051 8.598 1.991 264 HA PRO 38 HA PRO 38 -8.940 7.993 5.741 265 HB2 PRO 38 HB3 PRO 38 -11.111 7.620 7.590 266 HB3 PRO 38 HB2 PRO 38 -10.109 9.056 7.345 267 HG2 PRO 38 HG3 PRO 38 -12.804 8.485 6.362 268 HG3 PRO 38 HG2 PRO 38 -11.961 10.035 6.494 269 HD2 PRO 38 HD3 PRO 38 -12.483 8.805 4.095 270 HD3 PRO 38 HD2 PRO 38 -11.113 9.907 4.347 271 H ASN 39 H ASN 39 -7.935 6.213 6.357 272 HA ASN 39 HA ASN 39 -7.572 4.032 7.115 273 HB2 ASN 39 HB3 ASN 39 -10.037 4.552 8.151 274 HB3 ASN 39 HB2 ASN 39 -10.429 3.217 7.063 275 HD21 ASN 39 HD21 ASN 39 -8.228 4.112 9.758 276 HD22 ASN 39 HD22 ASN 39 -7.991 2.519 10.295 277 H LEU 40 H LEU 40 -8.047 4.860 4.212 278 HA LEU 40 HA LEU 40 -9.132 2.386 3.041 279 HB2 LEU 40 HB3 LEU 40 -8.020 4.939 1.921 280 HB3 LEU 40 HB2 LEU 40 -8.044 3.519 0.892 281 HG LEU 40 HG LEU 40 -10.420 4.903 2.174 282 HD11 LEU 40 HD11 LEU 40 -11.076 5.322 -0.102 283 HD12 LEU 40 HD12 LEU 40 -9.848 4.229 -0.712 284 HD13 LEU 40 HD13 LEU 40 -9.372 5.758 0.015 285 HD21 LEU 40 HD21 LEU 40 -11.599 3.036 0.668 286 HD22 LEU 40 HD22 LEU 40 -11.167 2.702 2.342 287 HD23 LEU 40 HD23 LEU 40 -10.125 2.141 1.033 288 H TRP 41 H TRP 41 -7.660 1.258 1.364 289 HA TRP 41 HA TRP 41 -4.788 1.311 1.999 290 HB2 TRP 41 HB3 TRP 41 -6.437 -1.176 2.555 291 HB3 TRP 41 HB2 TRP 41 -4.681 -1.061 2.658 292 HD1 TRP 41 HD TRP 41 -7.834 0.427 4.276 293 HE1 TRP 41 HE1 TRP 41 -7.264 1.121 6.693 294 HE3 TRP 41 HE3 TRP 41 -2.829 -0.570 4.322 295 HZ2 TRP 41 HZ2 TRP 41 -4.993 1.231 8.419 296 HZ3 TRP 41 HZ3 TRP 41 -1.492 -0.161 6.367 297 HH2 TRP 41 HH2 TRP 41 -2.562 0.734 8.413 298 H ALA 42 H ALA 42 -4.288 1.582 -0.164 299 HA ALA 42 HA ALA 42 -5.521 -0.234 -2.144 300 HB1 ALA 42 HB1 ALA 42 -3.565 2.043 -2.534 301 HB2 ALA 42 HB2 ALA 42 -5.316 2.192 -2.650 302 HB3 ALA 42 HB3 ALA 42 -4.439 1.195 -3.810 303 H CYS 43 H CYS 43 -4.453 -1.871 -3.121 304 HA CYS 43 HA CYS 43 -2.074 -2.966 -2.006 305 HB2 CYS 43 HB3 CYS 43 -3.852 -4.086 -3.516 306 HB3 CYS 43 HB2 CYS 43 -2.954 -3.392 -4.865 307 H LEU 44 H LEU 44 0.108 -2.918 -2.872 308 HA LEU 44 HA LEU 44 0.591 -0.741 -4.860 309 HB2 LEU 44 HB3 LEU 44 0.968 -0.042 -2.434 310 HB3 LEU 44 HB2 LEU 44 2.312 -1.177 -2.418 311 HG LEU 44 HG LEU 44 3.168 0.042 -4.516 312 HD11 LEU 44 HD11 LEU 44 2.326 2.531 -4.410 313 HD12 LEU 44 HD12 LEU 44 0.889 1.818 -3.680 314 HD13 LEU 44 HD13 LEU 44 1.387 1.334 -5.300 315 HD21 LEU 44 HD21 LEU 44 4.030 0.319 -2.131 316 HD22 LEU 44 HD22 LEU 44 3.019 1.760 -2.029 317 HD23 LEU 44 HD23 LEU 44 4.326 1.682 -3.209 318 H GLN 45 H GLN 45 0.570 -3.457 -5.584 319 HA GLN 45 HA GLN 45 3.415 -4.273 -5.573 320 HB2 GLN 45 HB3 GLN 45 1.275 -5.746 -7.078 321 HB3 GLN 45 HB2 GLN 45 2.747 -6.371 -6.328 322 HG2 GLN 45 HG3 GLN 45 0.911 -5.097 -4.403 323 HG3 GLN 45 HG2 GLN 45 0.219 -6.496 -5.215 324 HE21 GLN 45 HE21 GLN 45 2.483 -8.141 -5.541 325 HE22 GLN 45 HE22 GLN 45 3.103 -8.562 -4.017 326 H VAL 46 H VAL 46 4.630 -4.470 -7.463 327 HA VAL 46 HA VAL 46 4.641 -2.474 -9.339 328 HB VAL 46 HB VAL 46 6.364 -4.305 -9.067 329 HG11 VAL 46 HG11 VAL 46 4.581 -6.128 -9.333 330 HG12 VAL 46 HG12 VAL 46 6.095 -6.377 -10.201 331 HG13 VAL 46 HG13 VAL 46 4.667 -5.807 -11.065 332 HG21 VAL 46 HG21 VAL 46 5.497 -3.846 -11.934 333 HG22 VAL 46 HG22 VAL 46 7.134 -4.136 -11.347 334 HG23 VAL 46 HG23 VAL 46 6.315 -2.623 -10.962 335 H ALA 47 H ALA 47 2.235 -4.967 -9.219 336 HA ALA 47 HA ALA 47 1.072 -3.843 -11.705 337 HB1 ALA 47 HB1 ALA 47 0.656 -6.193 -12.562 338 HB2 ALA 47 HB2 ALA 47 1.802 -6.755 -11.344 339 HB3 ALA 47 HB3 ALA 47 2.336 -5.659 -12.618 340 H CYS 48 H CYS 48 -0.010 -3.382 -9.224 341 HA CYS 48 HA CYS 48 -2.540 -4.909 -9.443 342 HB2 CYS 48 HB3 CYS 48 -0.968 -5.976 -7.697 343 HB3 CYS 48 HB2 CYS 48 -1.277 -4.532 -6.733 344 HA PRO 49 HA PRO 49 -3.252 -0.476 -8.469 345 HB2 PRO 49 HB3 PRO 49 -4.718 0.167 -10.649 346 HB3 PRO 49 HB2 PRO 49 -2.946 0.095 -10.702 347 HG2 PRO 49 HG3 PRO 49 -4.944 -1.822 -11.757 348 HG3 PRO 49 HG2 PRO 49 -3.331 -1.419 -12.364 349 HD2 PRO 49 HD3 PRO 49 -4.010 -3.685 -10.799 350 HD3 PRO 49 HD2 PRO 49 -2.368 -3.118 -11.171 351 H TYR 50 H TYR 50 -4.694 -0.857 -6.749 352 HA TYR 50 HA TYR 50 -7.535 -0.729 -7.342 353 HB2 TYR 50 HB3 TYR 50 -6.342 -3.274 -6.202 354 HB3 TYR 50 HB2 TYR 50 -8.042 -2.847 -6.007 355 HD1 TYR 50 HD1 TYR 50 -5.576 -4.291 -8.191 356 HD2 TYR 50 HD2 TYR 50 -9.420 -2.375 -8.124 357 HE1 TYR 50 HE1 TYR 50 -6.062 -5.187 -10.452 358 HE2 TYR 50 HE2 TYR 50 -9.906 -3.271 -10.385 359 HH TYR 50 HH TYR 50 -9.206 -4.603 -12.023 360 H VAL 51 H VAL 51 -8.492 0.352 -5.631 361 HA VAL 51 HA VAL 51 -6.828 0.693 -3.193 362 HB VAL 51 HB VAL 51 -7.311 2.808 -4.056 363 HG11 VAL 51 HG11 VAL 51 -9.567 3.472 -4.832 364 HG12 VAL 51 HG12 VAL 51 -10.156 1.850 -4.478 365 HG13 VAL 51 HG13 VAL 51 -8.951 2.094 -5.741 366 HG21 VAL 51 HG21 VAL 51 -9.695 2.555 -2.254 367 HG22 VAL 51 HG22 VAL 51 -8.489 3.839 -2.341 368 HG23 VAL 51 HG23 VAL 51 -8.079 2.295 -1.598 369 H GLY 52 H GLY 52 -7.363 -1.116 -1.989 370 HA2 GLY 52 HA3 GLY 52 -10.155 -1.890 -1.621 371 HA3 GLY 52 HA2 GLY 52 -8.767 -2.652 -0.870 372 H CYS 53 H CYS 53 -10.540 -2.497 0.924 373 HA CYS 53 HA CYS 53 -10.528 0.127 2.324 374 HB2 CYS 53 HB3 CYS 53 -11.972 -1.456 3.951 375 HB3 CYS 53 HB2 CYS 53 -12.707 -0.655 2.591 376 H GLY 54 H GLY 54 -10.501 -0.103 4.692 377 HA2 GLY 54 HA3 GLY 54 -8.402 -2.011 5.653 378 HA3 GLY 54 HA2 GLY 54 -8.587 -0.366 6.295 379 H GLU 55 H GLU 55 -8.959 -2.623 8.016 380 HA GLU 55 HA GLU 55 -11.312 -3.812 8.479 381 HB2 GLU 55 HB3 GLU 55 -11.225 -3.286 10.818 382 HB3 GLU 55 HB2 GLU 55 -9.563 -3.386 10.243 383 HG2 GLU 55 HG3 GLU 55 -9.730 -0.841 9.872 384 HG3 GLU 55 HG2 GLU 55 -11.174 -0.918 10.884 385 H SER 56 H SER 56 -10.931 -0.328 8.491 386 HA SER 56 HA SER 56 -13.215 0.805 9.348 387 HB2 SER 56 HB3 SER 56 -11.492 1.279 7.075 388 HB3 SER 56 HB2 SER 56 -13.150 1.661 6.643 389 HG SER 56 HG SER 56 -12.334 3.469 7.597 390 H PHE 57 H PHE 57 -13.003 -1.177 6.403 391 HA PHE 57 HA PHE 57 -15.982 -1.511 6.517 392 HB2 PHE 57 HB3 PHE 57 -15.256 -0.561 4.396 393 HB3 PHE 57 HB2 PHE 57 -14.127 -1.873 4.161 394 HD1 PHE 57 HD1 PHE 57 -17.749 -1.476 5.096 395 HD2 PHE 57 HD2 PHE 57 -14.841 -3.593 2.748 396 HE1 PHE 57 HE1 PHE 57 -19.549 -2.870 4.120 397 HE2 PHE 57 HE2 PHE 57 -16.645 -4.984 1.770 398 HZ PHE 57 HZ PHE 57 -18.999 -4.622 2.456 399 H ALA 58 H ALA 58 -13.944 -3.510 4.598 400 HA ALA 58 HA ALA 58 -14.364 -5.798 6.497 401 HB1 ALA 58 HB1 ALA 58 -14.530 -7.262 4.541 402 HB2 ALA 58 HB2 ALA 58 -14.242 -5.895 3.464 403 HB3 ALA 58 HB3 ALA 58 -15.727 -5.973 4.414 404 H ASP 59 H ASP 59 -12.118 -3.740 5.514 405 HA ASP 59 HA ASP 59 -9.796 -3.781 5.325 406 HB2 ASP 59 HB3 ASP 59 -9.780 -4.729 7.516 407 HB3 ASP 59 HB2 ASP 59 -10.298 -6.300 6.923 408 H HIS 60 H HIS 60 -10.570 -4.299 2.894 409 HA HIS 60 HA HIS 60 -10.183 -6.893 1.807 410 HB2 HIS 60 HB3 HIS 60 -10.126 -4.149 0.773 411 HB3 HIS 60 HB2 HIS 60 -9.048 -5.215 -0.102 412 HD2 HIS 60 HD2 HIS 60 -10.773 -7.903 -0.361 413 HE1 HIS 60 HE1 HIS 60 -13.935 -5.494 -1.770 414 HE2 HIS 60 HE2 HIS 60 -13.038 -7.858 -1.645 415 H SER 61 H SER 61 -7.995 -4.510 3.060 416 HA SER 61 HA SER 61 -5.514 -5.214 1.998 417 HB2 SER 61 HB3 SER 61 -6.317 -3.640 4.054 418 HB3 SER 61 HB2 SER 61 -5.591 -4.958 4.962 419 HG SER 61 HG SER 61 -4.020 -3.430 4.442 420 H THR 62 H THR 62 -7.529 -7.098 4.187 421 HA THR 62 HA THR 62 -5.361 -9.040 4.629 422 HB THR 62 HB THR 62 -7.429 -10.268 5.720 423 HG1 THR 62 HG1 THR 62 -9.084 -8.987 6.141 424 HG21 THR 62 HG21 THR 62 -5.632 -9.610 7.107 425 HG22 THR 62 HG22 THR 62 -7.027 -8.778 7.793 426 HG23 THR 62 HG23 THR 62 -5.890 -7.898 6.771 427 H ILE 63 H ILE 63 -8.764 -9.415 3.560 428 HA ILE 63 HA ILE 63 -8.350 -11.919 2.369 429 HB ILE 63 HB ILE 63 -10.302 -10.556 0.787 430 HG12 ILE 63 HG13 ILE 63 -10.776 -10.189 3.752 431 HG13 ILE 63 HG12 ILE 63 -10.072 -8.914 2.765 432 HG21 ILE 63 HG21 ILE 63 -10.409 -12.914 1.388 433 HG22 ILE 63 HG22 ILE 63 -11.838 -12.092 2.013 434 HG23 ILE 63 HG23 ILE 63 -10.513 -12.504 3.101 435 HD11 ILE 63 HD11 ILE 63 -12.043 -9.063 1.234 436 HD12 ILE 63 HD12 ILE 63 -12.480 -8.579 2.872 437 HD13 ILE 63 HD13 ILE 63 -12.763 -10.235 2.338 438 H HIS 64 H HIS 64 -7.693 -8.728 1.190 439 HA HIS 64 HA HIS 64 -7.282 -9.486 -1.578 440 HB2 HIS 64 HB3 HIS 64 -7.747 -7.133 -0.928 441 HB3 HIS 64 HB2 HIS 64 -6.192 -7.077 -0.092 442 HD1 HIS 64 HD1 HIS 64 -7.685 -6.538 -3.367 443 HD2 HIS 64 HD2 HIS 64 -3.931 -7.668 -1.948 444 HE1 HIS 64 HE1 HIS 64 -6.066 -6.229 -5.293 445 H ALA 65 H ALA 65 -5.099 -8.960 1.218 446 HA ALA 65 HA ALA 65 -2.736 -9.687 -0.360 447 HB1 ALA 65 HB1 ALA 65 -2.410 -8.289 1.609 448 HB2 ALA 65 HB2 ALA 65 -1.648 -9.848 1.920 449 HB3 ALA 65 HB3 ALA 65 -3.216 -9.476 2.635 450 H GLN 66 H GLN 66 -5.252 -11.177 1.291 451 HA GLN 66 HA GLN 66 -4.026 -13.795 1.724 452 HB2 GLN 66 HB3 GLN 66 -5.683 -12.964 3.266 453 HB3 GLN 66 HB2 GLN 66 -6.770 -12.603 1.952 454 HG2 GLN 66 HG3 GLN 66 -7.650 -14.562 2.857 455 HG3 GLN 66 HG2 GLN 66 -6.755 -15.122 1.445 456 HE21 GLN 66 HE21 GLN 66 -5.893 -17.125 2.097 457 HE22 GLN 66 HE22 GLN 66 -4.986 -17.363 3.512 458 H ALA 67 H ALA 67 -6.091 -12.210 -0.653 459 HA ALA 67 HA ALA 67 -6.735 -14.737 -1.996 460 HB1 ALA 67 HB1 ALA 67 -7.771 -12.985 -3.678 461 HB2 ALA 67 HB2 ALA 67 -7.550 -11.876 -2.326 462 HB3 ALA 67 HB3 ALA 67 -8.557 -13.309 -2.133 463 H LYS 68 H LYS 68 -4.805 -11.830 -2.603 464 HA LYS 68 HA LYS 68 -3.683 -13.132 -5.050 465 HB2 LYS 68 HB3 LYS 68 -3.475 -10.252 -4.138 466 HB3 LYS 68 HB2 LYS 68 -2.961 -10.905 -5.687 467 HG2 LYS 68 HG3 LYS 68 -5.045 -10.223 -6.367 468 HG3 LYS 68 HG2 LYS 68 -5.537 -11.764 -5.663 469 HD2 LYS 68 HD3 LYS 68 -6.105 -10.690 -3.567 470 HD3 LYS 68 HD2 LYS 68 -5.467 -9.155 -4.136 471 HE2 LYS 68 HE3 LYS 68 -7.906 -9.163 -4.348 472 HE3 LYS 68 HE2 LYS 68 -7.165 -9.138 -5.948 473 HZ1 LYS 68 HZ1 LYS 68 -8.291 -11.491 -4.535 474 HZ2 LYS 68 HZ2 LYS 68 -7.407 -11.589 -5.982 475 HZ3 LYS 68 HZ3 LYS 68 -8.889 -10.761 -5.943 476 H LYS 69 H LYS 69 -3.027 -12.959 -1.882 477 HA LYS 69 HA LYS 69 -1.098 -13.240 -0.606 478 HB2 LYS 69 HB3 LYS 69 -0.374 -14.302 -3.299 479 HB3 LYS 69 HB2 LYS 69 0.946 -14.021 -2.167 480 HG2 LYS 69 HG3 LYS 69 -0.064 -16.342 -2.069 481 HG3 LYS 69 HG2 LYS 69 -0.034 -15.483 -0.531 482 HD2 LYS 69 HD3 LYS 69 -2.331 -15.170 -0.497 483 HD3 LYS 69 HD2 LYS 69 -2.467 -15.182 -2.255 484 HE2 LYS 69 HE3 LYS 69 -2.128 -17.589 -2.316 485 HE3 LYS 69 HE2 LYS 69 -1.812 -17.623 -0.581 486 HZ1 LYS 69 HZ1 LYS 69 -4.095 -18.272 -1.146 487 HZ2 LYS 69 HZ2 LYS 69 -4.360 -16.736 -1.823 488 HZ3 LYS 69 HZ3 LYS 69 -4.047 -16.893 -0.160 489 H HIS 70 H HIS 70 -1.611 -10.642 -2.311 490 HA HIS 70 HA HIS 70 1.073 -9.529 -2.654 491 HB2 HIS 70 HB3 HIS 70 -1.667 -8.223 -2.500 492 HB3 HIS 70 HB2 HIS 70 -0.178 -7.345 -2.829 493 HD2 HIS 70 HD2 HIS 70 1.065 -9.785 -4.880 494 HE1 HIS 70 HE1 HIS 70 -2.300 -8.777 -7.218 495 HE2 HIS 70 HE2 HIS 70 -0.043 -9.931 -7.233 496 H ASN 71 H ASN 71 2.346 -8.749 -0.997 497 HA ASN 71 HA ASN 71 1.147 -8.708 1.709 498 HB2 ASN 71 HB3 ASN 71 4.009 -8.070 1.411 499 HB3 ASN 71 HB2 ASN 71 3.212 -9.243 2.452 500 HD21 ASN 71 HD21 ASN 71 4.800 -8.803 -0.636 501 HD22 ASN 71 HD22 ASN 71 4.711 -10.424 -1.133 502 H LEU 72 H LEU 72 3.013 -6.499 -0.390 503 HA LEU 72 HA LEU 72 2.782 -4.348 1.566 504 HB2 LEU 72 HB3 LEU 72 3.854 -4.439 -1.250 505 HB3 LEU 72 HB2 LEU 72 3.914 -3.005 -0.224 506 HG LEU 72 HG LEU 72 5.011 -5.669 0.681 507 HD11 LEU 72 HD11 LEU 72 6.291 -3.505 -0.974 508 HD12 LEU 72 HD12 LEU 72 6.286 -5.243 -1.257 509 HD13 LEU 72 HD13 LEU 72 7.257 -4.567 0.049 510 HD21 LEU 72 HD21 LEU 72 5.247 -2.787 1.570 511 HD22 LEU 72 HD22 LEU 72 6.464 -3.978 2.026 512 HD23 LEU 72 HD23 LEU 72 4.791 -4.197 2.526 513 H THR 73 H THR 73 1.459 -2.684 1.595 514 HA THR 73 HA THR 73 -0.174 -1.916 -0.728 515 HB THR 73 HB THR 73 -1.610 -3.607 0.377 516 HG1 THR 73 HG1 THR 73 -2.779 -1.945 -0.409 517 HG21 THR 73 HG21 THR 73 -1.554 -1.873 2.846 518 HG22 THR 73 HG22 THR 73 -0.446 -3.229 2.642 519 HG23 THR 73 HG23 THR 73 -2.186 -3.511 2.673 520 H VAL 74 H VAL 74 -1.149 0.299 -0.259 521 HA VAL 74 HA VAL 74 0.343 1.614 1.982 522 HB VAL 74 HB VAL 74 1.373 2.346 -0.025 523 HG11 VAL 74 HG11 VAL 74 -1.423 2.907 -1.078 524 HG12 VAL 74 HG12 VAL 74 -0.419 1.539 -1.554 525 HG13 VAL 74 HG13 VAL 74 0.086 3.182 -1.947 526 HG21 VAL 74 HG21 VAL 74 0.585 4.128 1.661 527 HG22 VAL 74 HG22 VAL 74 -0.692 4.497 0.506 528 HG23 VAL 74 HG23 VAL 74 0.998 4.698 0.046 529 H ASN 75 H ASN 75 -0.786 2.787 3.377 530 HA ASN 75 HA ASN 75 -3.706 2.954 3.058 531 HB2 ASN 75 HB3 ASN 75 -2.531 2.302 5.220 532 HB3 ASN 75 HB2 ASN 75 -2.031 3.986 5.354 533 HD21 ASN 75 HD21 ASN 75 -3.732 2.928 7.334 534 HD22 ASN 75 HD22 ASN 75 -5.279 3.609 7.170 535 H LEU 76 H LEU 76 -4.406 4.634 1.837 536 HA LEU 76 HA LEU 76 -2.925 7.112 1.575 537 HB2 LEU 76 HB3 LEU 76 -5.836 6.680 0.892 538 HB3 LEU 76 HB2 LEU 76 -4.696 7.786 0.132 539 HG LEU 76 HG LEU 76 -3.664 5.075 0.025 540 HD11 LEU 76 HD11 LEU 76 -6.305 5.447 -1.391 541 HD12 LEU 76 HD12 LEU 76 -6.131 4.553 0.118 542 HD13 LEU 76 HD13 LEU 76 -5.309 3.997 -1.335 543 HD21 LEU 76 HD21 LEU 76 -3.239 7.209 -1.441 544 HD22 LEU 76 HD22 LEU 76 -4.624 6.619 -2.357 545 HD23 LEU 76 HD23 LEU 76 -3.191 5.614 -2.189 546 H THR 77 H THR 77 -4.308 5.930 4.174 547 HA THR 77 HA THR 77 -5.848 8.304 5.027 548 HB THR 77 HB THR 77 -5.105 5.816 6.595 549 HG1 THR 77 HG1 THR 77 -6.696 4.874 5.629 550 HG21 THR 77 HG21 THR 77 -7.170 6.541 7.893 551 HG22 THR 77 HG22 THR 77 -7.072 8.070 7.019 552 HG23 THR 77 HG23 THR 77 -5.754 7.574 8.076 553 H THR 78 H THR 78 -2.836 6.600 5.738 554 HA THR 78 HA THR 78 -1.933 8.995 7.296 555 HB THR 78 HB THR 78 -0.891 6.182 7.633 556 HG1 THR 78 HG1 THR 78 -2.458 5.812 9.000 557 HG21 THR 78 HG21 THR 78 -0.117 7.102 9.806 558 HG22 THR 78 HG22 THR 78 -0.760 8.678 9.346 559 HG23 THR 78 HG23 THR 78 0.574 7.972 8.437 560 H PHE 79 H PHE 79 -1.304 6.967 4.594 561 HA PHE 79 HA PHE 79 0.277 7.293 2.883 562 HB2 PHE 79 HB3 PHE 79 0.265 9.734 3.941 563 HB3 PHE 79 HB2 PHE 79 1.862 9.247 4.509 564 HD1 PHE 79 HD1 PHE 79 3.706 9.463 3.081 565 HD2 PHE 79 HD2 PHE 79 -0.246 9.254 1.407 566 HE1 PHE 79 HE1 PHE 79 4.638 9.890 0.824 567 HE2 PHE 79 HE2 PHE 79 0.688 9.680 -0.850 568 HZ PHE 79 HZ PHE 79 3.131 9.998 -1.141 569 H ARG 80 H ARG 80 0.609 5.121 4.385 570 HA ARG 80 HA ARG 80 3.552 4.864 4.506 571 HB2 ARG 80 HB3 ARG 80 2.841 3.270 6.617 572 HB3 ARG 80 HB2 ARG 80 3.501 4.891 6.791 573 HG2 ARG 80 HG3 ARG 80 1.409 5.832 7.250 574 HG3 ARG 80 HG2 ARG 80 0.534 4.540 6.426 575 HD2 ARG 80 HD3 ARG 80 0.789 3.046 8.211 576 HD3 ARG 80 HD2 ARG 80 2.165 3.922 8.879 577 HE ARG 80 HE ARG 80 -0.374 5.403 8.908 578 HH11 ARG 80 HH11 ARG 80 -1.135 5.922 10.969 579 HH12 ARG 80 HH12 ARG 80 -0.416 5.175 12.357 580 HH21 ARG 80 HH21 ARG 80 1.842 3.301 10.509 581 HH22 ARG 80 HH22 ARG 80 1.271 3.693 12.096 582 H LEU 81 H LEU 81 3.880 2.291 4.941 583 HA LEU 81 HA LEU 81 1.938 0.965 3.101 584 HB2 LEU 81 HB3 LEU 81 4.888 0.831 3.361 585 HB3 LEU 81 HB2 LEU 81 4.064 -0.634 2.865 586 HG LEU 81 HG LEU 81 3.220 1.850 1.491 587 HD11 LEU 81 HD11 LEU 81 5.589 2.320 1.589 588 HD12 LEU 81 HD12 LEU 81 5.209 1.764 -0.041 589 HD13 LEU 81 HD13 LEU 81 5.981 0.669 1.107 590 HD21 LEU 81 HD21 LEU 81 2.803 -0.812 1.073 591 HD22 LEU 81 HD22 LEU 81 4.181 -0.546 0.011 592 HD23 LEU 81 HD23 LEU 81 2.704 0.392 -0.207 593 H TRP 82 H TRP 82 2.068 -1.498 3.403 594 HA TRP 82 HA TRP 82 2.465 -2.348 6.189 595 HB2 TRP 82 HB3 TRP 82 0.184 -1.522 6.293 596 HB3 TRP 82 HB2 TRP 82 -0.245 -2.402 4.828 597 HD1 TRP 82 HD TRP 82 -0.179 -5.125 4.996 598 HE1 TRP 82 HE1 TRP 82 -0.654 -6.668 7.006 599 HE3 TRP 82 HE3 TRP 82 0.299 -1.769 8.815 600 HZ2 TRP 82 HZ2 TRP 82 -0.810 -6.499 9.858 601 HZ3 TRP 82 HZ3 TRP 82 -0.017 -2.486 11.165 602 HH2 TRP 82 HH2 TRP 82 -0.571 -4.845 11.692 603 H CYS 83 H CYS 83 3.703 -4.110 5.797 604 HA CYS 83 HA CYS 83 3.228 -5.703 3.362 605 HB2 CYS 83 HB3 CYS 83 5.525 -4.957 4.596 606 HB3 CYS 83 HB2 CYS 83 5.275 -6.535 5.334 607 H TYR 84 H TYR 84 1.573 -7.192 3.614 608 HA TYR 84 HA TYR 84 0.962 -8.351 6.207 609 HB2 TYR 84 HB3 TYR 84 -0.592 -8.166 4.090 610 HB3 TYR 84 HB2 TYR 84 0.219 -9.648 3.573 611 HD1 TYR 84 HD1 TYR 84 -0.194 -11.754 4.658 612 HD2 TYR 84 HD2 TYR 84 -1.882 -8.127 6.220 613 HE1 TYR 84 HE1 TYR 84 -1.653 -13.081 6.162 614 HE2 TYR 84 HE2 TYR 84 -3.341 -9.453 7.724 615 HH TYR 84 HH TYR 84 -4.309 -11.809 7.736 616 H ALA 85 H ALA 85 3.594 -8.587 4.366 617 HA ALA 85 HA ALA 85 4.085 -11.477 4.850 618 HB1 ALA 85 HB1 ALA 85 5.425 -9.410 3.099 619 HB2 ALA 85 HB2 ALA 85 4.728 -10.961 2.626 620 HB3 ALA 85 HB3 ALA 85 6.243 -10.913 3.523 621 H CYS 86 H CYS 86 6.118 -8.508 4.951 622 HA CYS 86 HA CYS 86 7.682 -9.463 7.168 623 HB2 CYS 86 HB3 CYS 86 7.169 -6.577 6.346 624 HB3 CYS 86 HB2 CYS 86 8.526 -7.173 7.296 625 H GLU 87 H GLU 87 4.557 -8.409 6.731 626 HA GLU 87 HA GLU 87 2.833 -7.712 8.143 627 HB2 GLU 87 HB3 GLU 87 4.231 -9.965 9.223 628 HB3 GLU 87 HB2 GLU 87 3.673 -8.958 10.549 629 HG2 GLU 87 HG3 GLU 87 1.891 -9.811 8.262 630 HG3 GLU 87 HG2 GLU 87 2.006 -10.697 9.781 631 H LYS 88 H LYS 88 4.138 -5.573 7.909 632 HA LYS 88 HA LYS 88 4.189 -4.350 10.565 633 HB2 LYS 88 HB3 LYS 88 6.552 -3.399 10.100 634 HB3 LYS 88 HB2 LYS 88 6.448 -5.065 10.672 635 HG2 LYS 88 HG3 LYS 88 6.733 -5.931 8.455 636 HG3 LYS 88 HG2 LYS 88 6.551 -4.334 7.737 637 HD2 LYS 88 HD3 LYS 88 8.915 -4.890 7.784 638 HD3 LYS 88 HD2 LYS 88 8.616 -3.610 8.960 639 HE2 LYS 88 HE3 LYS 88 8.429 -6.445 9.908 640 HE3 LYS 88 HE2 LYS 88 10.032 -5.777 9.610 641 HZ1 LYS 88 HZ1 LYS 88 9.677 -5.166 11.771 642 HZ2 LYS 88 HZ2 LYS 88 8.006 -4.942 11.564 643 HZ3 LYS 88 HZ3 LYS 88 9.100 -3.789 10.968 644 H GLU 89 H GLU 89 5.190 -1.920 10.066 645 HA GLU 89 HA GLU 89 3.722 -1.003 7.622 646 HB2 GLU 89 HB3 GLU 89 3.442 -0.244 10.330 647 HB3 GLU 89 HB2 GLU 89 4.270 1.102 9.552 648 HG2 GLU 89 HG3 GLU 89 2.504 1.503 8.068 649 HG3 GLU 89 HG2 GLU 89 1.860 -0.130 8.228 650 H VAL 90 H VAL 90 4.812 0.450 6.207 651 HA VAL 90 HA VAL 90 7.481 1.424 7.026 652 HB VAL 90 HB VAL 90 8.158 0.360 4.582 653 HG11 VAL 90 HG11 VAL 90 8.352 -1.075 7.248 654 HG12 VAL 90 HG12 VAL 90 9.430 0.218 6.722 655 HG13 VAL 90 HG13 VAL 90 9.401 -1.315 5.851 656 HG21 VAL 90 HG21 VAL 90 5.848 -0.804 4.685 657 HG22 VAL 90 HG22 VAL 90 6.560 -1.814 5.942 658 HG23 VAL 90 HG23 VAL 90 7.248 -1.811 4.318 659 H PHE 91 H PHE 91 8.179 3.171 5.757 660 HA PHE 91 HA PHE 91 6.102 4.339 3.963 661 HB2 PHE 91 HB3 PHE 91 8.536 5.604 5.262 662 HB3 PHE 91 HB2 PHE 91 7.367 6.446 4.252 663 HD1 PHE 91 HD1 PHE 91 7.518 4.283 7.317 664 HD2 PHE 91 HD2 PHE 91 5.526 7.488 5.265 665 HE1 PHE 91 HE1 PHE 91 6.075 4.655 9.298 666 HE2 PHE 91 HE2 PHE 91 4.081 7.859 7.245 667 HZ PHE 91 HZ PHE 91 4.356 6.443 9.263 668 H LEU 92 H LEU 92 7.089 5.610 2.075 669 HA LEU 92 HA LEU 92 8.520 3.965 0.334 670 HB2 LEU 92 HB3 LEU 92 8.730 6.993 0.475 671 HB3 LEU 92 HB2 LEU 92 9.051 5.988 -0.938 672 HG LEU 92 HG LEU 92 6.365 5.877 0.432 673 HD11 LEU 92 HD11 LEU 92 6.799 8.254 -0.062 674 HD12 LEU 92 HD12 LEU 92 5.564 7.603 -1.139 675 HD13 LEU 92 HD13 LEU 92 7.210 7.836 -1.725 676 HD21 LEU 92 HD21 LEU 92 6.812 4.155 -1.221 677 HD22 LEU 92 HD22 LEU 92 7.375 5.355 -2.383 678 HD23 LEU 92 HD23 LEU 92 5.675 5.305 -1.922 679 H GLU 93 H GLU 93 10.714 3.630 -0.003 680 HA GLU 93 HA GLU 93 12.494 3.567 2.124 681 HB2 GLU 93 HB3 GLU 93 14.306 3.502 0.368 682 HB3 GLU 93 HB2 GLU 93 12.980 2.371 0.090 683 HG2 GLU 93 HG3 GLU 93 11.913 4.207 -1.350 684 HG3 GLU 93 HG2 GLU 93 13.478 5.018 -1.277 685 H GLN 94 H GLN 94 11.221 6.385 1.002 686 HA GLN 94 HA GLN 94 11.807 8.631 1.306 687 HB2 GLN 94 HB3 GLN 94 14.134 7.664 2.967 688 HB3 GLN 94 HB2 GLN 94 13.213 9.156 3.137 689 HG2 GLN 94 HG3 GLN 94 11.182 7.679 3.625 690 HG3 GLN 94 HG2 GLN 94 12.320 6.342 3.786 691 HE21 GLN 94 HE21 GLN 94 10.615 8.100 5.796 692 HE22 GLN 94 HE22 GLN 94 11.737 8.441 7.022 693 H ARG 95 H ARG 95 14.209 6.370 0.189 694 HA ARG 95 HA ARG 95 16.363 8.006 -0.478 695 HB2 ARG 95 HB3 ARG 95 17.042 6.291 -1.858 696 HB3 ARG 95 HB2 ARG 95 15.768 5.441 -0.994 697 HG2 ARG 95 HG3 ARG 95 15.205 4.943 -3.191 698 HG3 ARG 95 HG2 ARG 95 14.229 6.381 -2.929 699 HD2 ARG 95 HD3 ARG 95 15.242 7.091 -4.857 700 HD3 ARG 95 HD2 ARG 95 16.568 7.515 -3.775 701 HE ARG 95 HE ARG 95 17.820 5.801 -4.782 702 HH11 ARG 95 HH11 ARG 95 18.083 3.964 -6.071 703 HH12 ARG 95 HH12 ARG 95 16.685 3.135 -6.670 704 HH21 ARG 95 HH21 ARG 95 14.430 5.299 -5.167 705 HH22 ARG 95 HH22 ARG 95 14.617 3.891 -6.158 706 H LEU 96 H LEU 96 13.195 7.869 -1.959 707 HA LEU 96 HA LEU 96 14.042 9.855 -4.015 708 HB2 LEU 96 HB3 LEU 96 11.808 9.407 -5.021 709 HB3 LEU 96 HB2 LEU 96 12.789 7.952 -4.875 710 HG LEU 96 HG LEU 96 11.489 7.927 -2.462 711 HD11 LEU 96 HD11 LEU 96 9.572 9.081 -4.511 712 HD12 LEU 96 HD12 LEU 96 10.092 9.861 -3.017 713 HD13 LEU 96 HD13 LEU 96 9.098 8.407 -2.953 714 HD21 LEU 96 HD21 LEU 96 9.969 6.251 -3.540 715 HD22 LEU 96 HD22 LEU 96 11.665 6.016 -3.958 716 HD23 LEU 96 HD23 LEU 96 10.570 6.775 -5.112 717 H ALA 97 H ALA 97 12.085 11.472 -4.461 718 HA ALA 97 HA ALA 97 10.426 12.334 -2.318 719 HB1 ALA 97 HB1 ALA 97 12.287 12.945 -1.006 720 HB2 ALA 97 HB2 ALA 97 11.839 14.457 -1.793 721 HB3 ALA 97 HB3 ALA 97 13.199 13.514 -2.403 722 H ALA 98 H ALA 98 9.886 14.830 -2.698 723 HA ALA 98 HA ALA 98 10.414 15.973 -5.264 724 HB1 ALA 98 HB1 ALA 98 7.757 15.522 -5.829 725 HB2 ALA 98 HB2 ALA 98 8.246 13.982 -5.120 726 HB3 ALA 98 HB3 ALA 98 9.097 14.614 -6.526 727 HA PRO 99 HA PRO 99 6.683 18.360 -3.296 728 HB2 PRO 99 HB3 PRO 99 5.734 17.295 -0.911 729 HB3 PRO 99 HB2 PRO 99 4.992 17.030 -2.500 730 HG2 PRO 99 HG3 PRO 99 6.829 15.268 -0.953 731 HG3 PRO 99 HG2 PRO 99 5.417 14.843 -1.940 732 HD2 PRO 99 HD3 PRO 99 7.936 14.496 -2.856 733 HD3 PRO 99 HD2 PRO 99 6.604 14.966 -3.937 Start of MODEL 17 1 H1 MET 1 H1 MET 1 16.922 -9.217 4.458 2 HA MET 1 HA MET 1 15.685 -7.257 5.025 3 HB2 MET 1 HB3 MET 1 17.827 -8.034 6.306 4 HB3 MET 1 HB2 MET 1 18.564 -6.589 5.616 5 HG2 MET 1 HG3 MET 1 17.713 -5.844 7.688 6 HG3 MET 1 HG2 MET 1 16.482 -5.339 6.530 7 HE1 MET 1 HE1 MET 1 14.432 -5.166 7.807 8 HE2 MET 1 HE2 MET 1 15.463 -5.226 9.234 9 HE3 MET 1 HE3 MET 1 13.987 -6.187 9.182 10 H GLY 2 H GLY 2 16.556 -6.936 2.155 11 HA2 GLY 2 HA3 GLY 2 16.950 -5.201 0.614 12 HA3 GLY 2 HA2 GLY 2 15.971 -4.248 1.730 13 H ASP 3 H ASP 3 16.999 -2.748 3.062 14 HA ASP 3 HA ASP 3 19.829 -2.801 3.616 15 HB2 ASP 3 HB3 ASP 3 19.766 -2.152 1.156 16 HB3 ASP 3 HB2 ASP 3 18.966 -0.661 1.657 17 H SER 4 H SER 4 17.682 -0.049 2.854 18 HA SER 4 HA SER 4 18.314 1.431 5.173 19 HB2 SER 4 HB3 SER 4 16.899 2.935 4.243 20 HB3 SER 4 HB2 SER 4 16.638 1.759 2.959 21 HG SER 4 HG SER 4 14.667 2.325 3.887 22 H ARG 5 H ARG 5 15.925 2.018 6.469 23 HA ARG 5 HA ARG 5 15.390 -0.539 7.930 24 HB2 ARG 5 HB3 ARG 5 14.593 1.986 9.236 25 HB3 ARG 5 HB2 ARG 5 15.506 0.626 9.888 26 HG2 ARG 5 HG3 ARG 5 17.525 1.415 8.701 27 HG3 ARG 5 HG2 ARG 5 16.610 2.781 8.061 28 HD2 ARG 5 HD3 ARG 5 17.076 2.204 11.002 29 HD3 ARG 5 HD2 ARG 5 17.907 3.439 10.059 30 HE ARG 5 HE ARG 5 15.239 3.667 11.158 31 HH11 ARG 5 HH11 ARG 5 14.086 5.537 10.624 32 HH12 ARG 5 HH12 ARG 5 14.612 6.512 9.293 33 HH21 ARG 5 HH21 ARG 5 17.309 4.475 8.522 34 HH22 ARG 5 HH22 ARG 5 16.437 5.911 8.102 35 H ASP 6 H ASP 6 13.872 2.477 6.803 36 HA ASP 6 HA ASP 6 11.175 1.589 7.354 37 HB2 ASP 6 HB3 ASP 6 12.383 3.991 6.624 38 HB3 ASP 6 HB2 ASP 6 11.442 3.563 5.197 39 H LEU 7 H LEU 7 13.364 1.294 4.621 40 HA LEU 7 HA LEU 7 11.383 0.527 2.695 41 HB2 LEU 7 HB3 LEU 7 13.144 0.353 1.255 42 HB3 LEU 7 HB2 LEU 7 14.028 1.142 2.551 43 HG LEU 7 HG LEU 7 15.354 -0.708 1.866 44 HD11 LEU 7 HD11 LEU 7 14.391 -2.293 4.066 45 HD12 LEU 7 HD12 LEU 7 14.299 -0.583 4.490 46 HD13 LEU 7 HD13 LEU 7 15.828 -1.282 3.968 47 HD21 LEU 7 HD21 LEU 7 13.549 -2.935 2.390 48 HD22 LEU 7 HD22 LEU 7 14.530 -2.597 0.966 49 HD23 LEU 7 HD23 LEU 7 12.927 -1.886 1.116 50 H CYS 8 H CYS 8 11.000 -1.667 1.862 51 HA CYS 8 HA CYS 8 11.431 -3.791 3.930 52 HB2 CYS 8 HB3 CYS 8 9.187 -3.998 4.130 53 HB3 CYS 8 HB2 CYS 8 8.941 -2.721 2.944 54 HA PRO 9 HA PRO 9 13.234 -6.412 0.889 55 HB2 PRO 9 HB3 PRO 9 11.700 -8.729 1.148 56 HB3 PRO 9 HB2 PRO 9 13.028 -8.275 2.222 57 HG2 PRO 9 HG3 PRO 9 10.113 -7.825 2.564 58 HG3 PRO 9 HG2 PRO 9 11.272 -8.425 3.753 59 HD2 PRO 9 HD3 PRO 9 10.509 -5.889 3.867 60 HD3 PRO 9 HD2 PRO 9 12.241 -6.269 4.049 61 H HIS 10 H HIS 10 9.730 -7.022 0.876 62 HA HIS 10 HA HIS 10 9.655 -7.408 -2.013 63 HB2 HIS 10 HB3 HIS 10 7.167 -6.842 -0.405 64 HB3 HIS 10 HB2 HIS 10 7.413 -7.980 -1.728 65 HD2 HIS 10 HD2 HIS 10 8.390 -10.504 -0.978 66 HE1 HIS 10 HE1 HIS 10 8.528 -9.767 3.174 67 HE2 HIS 10 HE2 HIS 10 8.737 -11.546 1.384 68 H LEU 11 H LEU 11 10.027 -4.709 -0.176 69 HA LEU 11 HA LEU 11 8.213 -2.869 -1.466 70 HB2 LEU 11 HB3 LEU 11 9.459 -2.593 0.762 71 HB3 LEU 11 HB2 LEU 11 10.860 -2.159 -0.205 72 HG LEU 11 HG LEU 11 8.350 -0.743 -0.915 73 HD11 LEU 11 HD11 LEU 11 8.928 0.904 1.042 74 HD12 LEU 11 HD12 LEU 11 9.624 -0.530 1.794 75 HD13 LEU 11 HD13 LEU 11 7.917 -0.505 1.362 76 HD21 LEU 11 HD21 LEU 11 10.726 -0.366 -1.825 77 HD22 LEU 11 HD22 LEU 11 11.083 0.372 -0.263 78 HD23 LEU 11 HD23 LEU 11 9.844 1.071 -1.306 79 H ASP 12 H ASP 12 11.305 -4.218 -2.296 80 HA ASP 12 HA ASP 12 11.820 -2.187 -4.374 81 HB2 ASP 12 HB3 ASP 12 13.741 -3.106 -3.188 82 HB3 ASP 12 HB2 ASP 12 13.255 -4.747 -3.618 83 H SER 13 H SER 13 10.275 -5.256 -4.040 84 HA SER 13 HA SER 13 10.475 -5.978 -6.869 85 HB2 SER 13 HB3 SER 13 10.243 -7.630 -4.954 86 HB3 SER 13 HB2 SER 13 8.569 -7.102 -4.803 87 HG SER 13 HG SER 13 8.312 -7.689 -7.024 88 H ILE 14 H ILE 14 8.290 -4.116 -4.883 89 HA ILE 14 HA ILE 14 6.054 -4.288 -6.768 90 HB ILE 14 HB ILE 14 5.109 -2.453 -5.355 91 HG12 ILE 14 HG13 ILE 14 7.566 -2.843 -3.648 92 HG13 ILE 14 HG12 ILE 14 7.433 -1.527 -4.810 93 HG21 ILE 14 HG21 ILE 14 5.016 -4.987 -4.833 94 HG22 ILE 14 HG22 ILE 14 4.651 -3.878 -3.512 95 HG23 ILE 14 HG23 ILE 14 6.235 -4.641 -3.611 96 HD11 ILE 14 HD11 ILE 14 5.100 -1.842 -3.013 97 HD12 ILE 14 HD12 ILE 14 5.932 -0.379 -3.537 98 HD13 ILE 14 HD13 ILE 14 6.594 -1.344 -2.223 99 H GLY 15 H GLY 15 8.999 -2.625 -6.777 100 HA2 GLY 15 HA3 GLY 15 9.804 -0.834 -8.066 101 HA3 GLY 15 HA2 GLY 15 8.490 -1.220 -9.177 102 H GLU 16 H GLU 16 7.880 0.924 -9.618 103 HA GLU 16 HA GLU 16 6.539 2.333 -7.353 104 HB2 GLU 16 HB3 GLU 16 8.620 3.517 -7.596 105 HB3 GLU 16 HB2 GLU 16 8.482 3.521 -9.352 106 HG2 GLU 16 HG3 GLU 16 7.872 5.705 -8.135 107 HG3 GLU 16 HG2 GLU 16 6.709 5.112 -9.321 108 H VAL 17 H VAL 17 4.464 1.851 -8.108 109 HA VAL 17 HA VAL 17 3.670 1.955 -10.859 110 HB VAL 17 HB VAL 17 1.345 2.105 -9.922 111 HG11 VAL 17 HG11 VAL 17 2.541 -0.067 -10.180 112 HG12 VAL 17 HG12 VAL 17 1.410 -0.081 -8.827 113 HG13 VAL 17 HG13 VAL 17 3.139 0.095 -8.528 114 HG21 VAL 17 HG21 VAL 17 1.797 3.506 -7.981 115 HG22 VAL 17 HG22 VAL 17 2.883 2.288 -7.315 116 HG23 VAL 17 HG23 VAL 17 1.153 1.961 -7.426 117 H THR 18 H THR 18 1.555 3.659 -11.124 118 HA THR 18 HA THR 18 2.845 6.203 -11.531 119 HB THR 18 HB THR 18 0.048 6.614 -11.547 120 HG1 THR 18 HG1 THR 18 0.492 4.298 -13.006 121 HG21 THR 18 HG21 THR 18 2.007 5.888 -13.741 122 HG22 THR 18 HG22 THR 18 1.561 7.511 -13.214 123 HG23 THR 18 HG23 THR 18 0.376 6.493 -14.031 124 H LYS 19 H LYS 19 3.044 7.891 -10.158 125 HA LYS 19 HA LYS 19 2.480 7.738 -7.388 126 HB2 LYS 19 HB3 LYS 19 2.429 10.392 -7.712 127 HB3 LYS 19 HB2 LYS 19 3.934 9.490 -7.874 128 HG2 LYS 19 HG3 LYS 19 2.489 9.470 -10.398 129 HG3 LYS 19 HG2 LYS 19 2.697 11.115 -9.837 130 HD2 LYS 19 HD3 LYS 19 4.638 10.556 -11.160 131 HD3 LYS 19 HD2 LYS 19 5.152 10.592 -9.473 132 HE2 LYS 19 HE3 LYS 19 6.092 8.582 -10.354 133 HE3 LYS 19 HE2 LYS 19 4.675 8.060 -9.448 134 HZ1 LYS 19 HZ1 LYS 19 3.412 7.946 -11.462 135 HZ2 LYS 19 HZ2 LYS 19 4.841 7.050 -11.671 136 HZ3 LYS 19 HZ3 LYS 19 4.693 8.594 -12.366 137 H GLU 20 H GLU 20 0.742 9.654 -9.838 138 HA GLU 20 HA GLU 20 -1.493 10.437 -8.464 139 HB2 GLU 20 HB3 GLU 20 -1.380 11.117 -10.696 140 HB3 GLU 20 HB2 GLU 20 -1.121 9.470 -11.270 141 HG2 GLU 20 HG3 GLU 20 -3.665 9.613 -9.891 142 HG3 GLU 20 HG2 GLU 20 -3.586 10.891 -11.100 143 H ASP 21 H ASP 21 -0.760 7.241 -9.743 144 HA ASP 21 HA ASP 21 -3.209 5.935 -9.308 145 HB2 ASP 21 HB3 ASP 21 -0.853 5.009 -10.113 146 HB3 ASP 21 HB2 ASP 21 -0.686 4.564 -8.416 147 H LEU 22 H LEU 22 -0.667 6.752 -6.987 148 HA LEU 22 HA LEU 22 -2.081 5.606 -4.722 149 HB2 LEU 22 HB3 LEU 22 0.305 7.422 -5.029 150 HB3 LEU 22 HB2 LEU 22 -0.399 7.126 -3.440 151 HG LEU 22 HG LEU 22 -0.086 4.709 -3.725 152 HD11 LEU 22 HD11 LEU 22 1.349 4.006 -5.736 153 HD12 LEU 22 HD12 LEU 22 0.926 5.565 -6.442 154 HD13 LEU 22 HD13 LEU 22 -0.339 4.392 -6.071 155 HD21 LEU 22 HD21 LEU 22 2.454 6.210 -4.435 156 HD22 LEU 22 HD22 LEU 22 2.344 4.666 -3.590 157 HD23 LEU 22 HD23 LEU 22 1.768 6.140 -2.812 158 H LEU 23 H LEU 23 -2.173 8.526 -6.496 159 HA LEU 23 HA LEU 23 -3.455 10.110 -4.396 160 HB2 LEU 23 HB3 LEU 23 -3.278 10.600 -7.390 161 HB3 LEU 23 HB2 LEU 23 -3.631 11.804 -6.171 162 HG LEU 23 HG LEU 23 -1.023 10.293 -6.548 163 HD11 LEU 23 HD11 LEU 23 -1.202 13.271 -6.294 164 HD12 LEU 23 HD12 LEU 23 -1.831 12.569 -7.783 165 HD13 LEU 23 HD13 LEU 23 -0.154 12.288 -7.316 166 HD21 LEU 23 HD21 LEU 23 -1.211 10.387 -4.200 167 HD22 LEU 23 HD22 LEU 23 -2.059 11.933 -4.228 168 HD23 LEU 23 HD23 LEU 23 -0.333 11.867 -4.577 169 H LEU 24 H LEU 24 -4.619 8.748 -7.549 170 HA LEU 24 HA LEU 24 -7.360 9.292 -6.959 171 HB2 LEU 24 HB3 LEU 24 -7.931 7.586 -8.621 172 HB3 LEU 24 HB2 LEU 24 -6.654 8.642 -9.231 173 HG LEU 24 HG LEU 24 -5.158 6.677 -8.064 174 HD11 LEU 24 HD11 LEU 24 -7.340 5.426 -7.587 175 HD12 LEU 24 HD12 LEU 24 -6.128 4.520 -8.489 176 HD13 LEU 24 HD13 LEU 24 -7.502 5.233 -9.330 177 HD21 LEU 24 HD21 LEU 24 -4.682 7.380 -10.277 178 HD22 LEU 24 HD22 LEU 24 -6.296 6.962 -10.848 179 HD23 LEU 24 HD23 LEU 24 -5.141 5.687 -10.464 180 H LYS 25 H LYS 25 -5.293 6.449 -6.279 181 HA LYS 25 HA LYS 25 -7.223 4.761 -5.138 182 HB2 LYS 25 HB3 LYS 25 -4.343 5.321 -4.409 183 HB3 LYS 25 HB2 LYS 25 -5.298 4.168 -3.480 184 HG2 LYS 25 HG3 LYS 25 -5.635 2.760 -5.371 185 HG3 LYS 25 HG2 LYS 25 -5.095 4.005 -6.491 186 HD2 LYS 25 HD3 LYS 25 -2.826 3.766 -5.838 187 HD3 LYS 25 HD2 LYS 25 -3.254 2.886 -4.376 188 HE2 LYS 25 HE3 LYS 25 -2.409 1.304 -6.017 189 HE3 LYS 25 HE2 LYS 25 -4.139 1.034 -5.816 190 HZ1 LYS 25 HZ1 LYS 25 -4.429 1.442 -7.955 191 HZ2 LYS 25 HZ2 LYS 25 -2.757 1.661 -8.156 192 HZ3 LYS 25 HZ3 LYS 25 -3.753 2.988 -7.789 193 H SER 26 H SER 26 -5.529 7.525 -3.718 194 HA SER 26 HA SER 26 -6.873 7.443 -1.164 195 HB2 SER 26 HB3 SER 26 -4.674 8.698 -1.914 196 HB3 SER 26 HB2 SER 26 -5.783 9.960 -2.414 197 HG SER 26 HG SER 26 -4.875 9.783 -0.091 198 H LYS 27 H LYS 27 -8.299 7.682 -4.023 199 HA LYS 27 HA LYS 27 -9.675 10.080 -4.227 200 HB2 LYS 27 HB3 LYS 27 -11.657 8.596 -5.066 201 HB3 LYS 27 HB2 LYS 27 -10.148 8.621 -5.972 202 HG2 LYS 27 HG3 LYS 27 -9.650 6.450 -5.468 203 HG3 LYS 27 HG2 LYS 27 -10.286 6.575 -3.822 204 HD2 LYS 27 HD3 LYS 27 -11.692 5.059 -5.106 205 HD3 LYS 27 HD2 LYS 27 -12.603 6.537 -4.792 206 HE2 LYS 27 HE3 LYS 27 -12.017 7.388 -7.027 207 HE3 LYS 27 HE2 LYS 27 -11.077 5.931 -7.343 208 HZ1 LYS 27 HZ1 LYS 27 -13.927 5.777 -6.587 209 HZ2 LYS 27 HZ2 LYS 27 -12.974 4.617 -7.384 210 HZ3 LYS 27 HZ3 LYS 27 -13.464 6.024 -8.200 211 H GLY 28 H GLY 28 -10.745 7.286 -2.179 212 HA2 GLY 28 HA3 GLY 28 -11.479 8.374 0.092 213 HA3 GLY 28 HA2 GLY 28 -12.669 9.177 -0.918 214 H THR 29 H THR 29 -12.008 6.044 -2.082 215 HA THR 29 HA THR 29 -13.977 4.735 -0.326 216 HB THR 29 HB THR 29 -15.693 4.472 -1.852 217 HG1 THR 29 HG1 THR 29 -14.233 5.378 -4.046 218 HG21 THR 29 HG21 THR 29 -16.168 6.642 -2.916 219 HG22 THR 29 HG22 THR 29 -14.495 7.132 -2.667 220 HG23 THR 29 HG23 THR 29 -15.553 6.863 -1.281 221 H CYS 30 H CYS 30 -13.827 2.509 -0.402 222 HA CYS 30 HA CYS 30 -11.528 1.274 -1.612 223 HB2 CYS 30 HB3 CYS 30 -12.527 0.212 0.332 224 HB3 CYS 30 HB2 CYS 30 -14.085 0.093 -0.475 225 H GLN 31 H GLN 31 -11.317 0.571 -3.723 226 HA GLN 31 HA GLN 31 -13.435 1.076 -5.606 227 HB2 GLN 31 HB3 GLN 31 -11.989 0.046 -7.281 228 HB3 GLN 31 HB2 GLN 31 -11.053 1.138 -6.270 229 HG2 GLN 31 HG3 GLN 31 -9.682 -0.759 -6.360 230 HG3 GLN 31 HG2 GLN 31 -10.552 -1.007 -4.852 231 HE21 GLN 31 HE21 GLN 31 -9.786 -3.364 -5.612 232 HE22 GLN 31 HE22 GLN 31 -10.935 -4.232 -6.512 233 H SER 32 H SER 32 -13.003 -1.444 -3.435 234 HA SER 32 HA SER 32 -14.646 -3.298 -5.123 235 HB2 SER 32 HB3 SER 32 -12.926 -3.945 -2.715 236 HB3 SER 32 HB2 SER 32 -13.810 -5.106 -3.702 237 HG SER 32 HG SER 32 -12.397 -4.852 -5.291 238 H CYS 33 H CYS 33 -14.494 -1.444 -2.191 239 HA CYS 33 HA CYS 33 -17.202 -2.485 -1.429 240 HB2 CYS 33 HB3 CYS 33 -15.067 -1.470 0.473 241 HB3 CYS 33 HB2 CYS 33 -16.618 -2.170 0.913 242 H GLY 34 H GLY 34 -15.173 0.211 -2.125 243 HA2 GLY 34 HA3 GLY 34 -15.551 2.523 -2.028 244 HA3 GLY 34 HA2 GLY 34 -17.199 2.091 -2.488 245 H VAL 35 H VAL 35 -15.184 1.816 0.450 246 HA VAL 35 HA VAL 35 -17.575 2.369 2.086 247 HB VAL 35 HB VAL 35 -15.991 1.778 3.984 248 HG11 VAL 35 HG11 VAL 35 -17.090 0.113 1.841 249 HG12 VAL 35 HG12 VAL 35 -17.083 -0.168 3.579 250 HG13 VAL 35 HG13 VAL 35 -15.696 -0.648 2.602 251 HG21 VAL 35 HG21 VAL 35 -14.174 0.806 1.775 252 HG22 VAL 35 HG22 VAL 35 -13.829 0.953 3.497 253 HG23 VAL 35 HG23 VAL 35 -13.952 2.397 2.498 254 H THR 36 H THR 36 -14.343 3.867 1.527 255 HA THR 36 HA THR 36 -15.150 6.499 1.847 256 HB THR 36 HB THR 36 -15.985 6.298 4.033 257 HG1 THR 36 HG1 THR 36 -14.400 7.254 5.350 258 HG21 THR 36 HG21 THR 36 -15.588 4.232 4.928 259 HG22 THR 36 HG22 THR 36 -14.223 5.036 5.699 260 HG23 THR 36 HG23 THR 36 -13.980 4.124 4.211 261 H GLY 37 H GLY 37 -13.202 7.845 3.002 262 HA2 GLY 37 HA3 GLY 37 -10.767 6.876 1.636 263 HA3 GLY 37 HA2 GLY 37 -11.030 8.502 2.232 264 HA PRO 38 HA PRO 38 -8.971 8.053 6.034 265 HB2 PRO 38 HB3 PRO 38 -11.190 7.608 7.829 266 HB3 PRO 38 HB2 PRO 38 -10.207 9.066 7.626 267 HG2 PRO 38 HG3 PRO 38 -12.859 8.459 6.564 268 HG3 PRO 38 HG2 PRO 38 -12.032 10.018 6.696 269 HD2 PRO 38 HD3 PRO 38 -12.485 8.748 4.302 270 HD3 PRO 38 HD2 PRO 38 -11.135 9.870 4.570 271 H ASN 39 H ASN 39 -7.917 6.335 6.763 272 HA ASN 39 HA ASN 39 -7.403 4.168 7.419 273 HB2 ASN 39 HB3 ASN 39 -10.240 4.452 8.195 274 HB3 ASN 39 HB2 ASN 39 -9.729 2.788 7.925 275 HD21 ASN 39 HD21 ASN 39 -8.849 5.749 9.758 276 HD22 ASN 39 HD22 ASN 39 -8.067 4.919 11.016 277 H LEU 40 H LEU 40 -7.728 4.801 4.637 278 HA LEU 40 HA LEU 40 -9.053 2.415 3.490 279 HB2 LEU 40 HB3 LEU 40 -7.942 4.964 2.406 280 HB3 LEU 40 HB2 LEU 40 -7.830 3.564 1.354 281 HG LEU 40 HG LEU 40 -10.340 4.825 2.494 282 HD11 LEU 40 HD11 LEU 40 -9.223 5.721 0.396 283 HD12 LEU 40 HD12 LEU 40 -10.882 5.171 0.165 284 HD13 LEU 40 HD13 LEU 40 -9.541 4.158 -0.348 285 HD21 LEU 40 HD21 LEU 40 -11.022 2.606 2.629 286 HD22 LEU 40 HD22 LEU 40 -9.853 2.068 1.422 287 HD23 LEU 40 HD23 LEU 40 -11.328 2.888 0.918 288 H TRP 41 H TRP 41 -7.582 1.383 1.647 289 HA TRP 41 HA TRP 41 -4.737 1.306 2.231 290 HB2 TRP 41 HB3 TRP 41 -6.423 -0.453 3.716 291 HB3 TRP 41 HB2 TRP 41 -5.552 -1.433 2.540 292 HD1 TRP 41 HD TRP 41 -2.781 -0.348 2.385 293 HE1 TRP 41 HE1 TRP 41 -1.194 -0.198 4.411 294 HE3 TRP 41 HE3 TRP 41 -6.185 -0.465 6.187 295 HZ2 TRP 41 HZ2 TRP 41 -1.351 -0.132 7.267 296 HZ3 TRP 41 HZ3 TRP 41 -5.442 -0.357 8.546 297 HH2 TRP 41 HH2 TRP 41 -3.030 -0.193 9.092 298 H ALA 42 H ALA 42 -4.406 1.632 0.038 299 HA ALA 42 HA ALA 42 -5.695 -0.220 -1.870 300 HB1 ALA 42 HB1 ALA 42 -3.912 2.191 -2.303 301 HB2 ALA 42 HB2 ALA 42 -5.670 2.164 -2.435 302 HB3 ALA 42 HB3 ALA 42 -4.686 1.262 -3.586 303 H CYS 43 H CYS 43 -4.570 -1.679 -3.119 304 HA CYS 43 HA CYS 43 -2.170 -2.820 -2.097 305 HB2 CYS 43 HB3 CYS 43 -4.004 -3.715 -3.799 306 HB3 CYS 43 HB2 CYS 43 -2.873 -3.092 -5.002 307 H LEU 44 H LEU 44 0.014 -2.679 -2.962 308 HA LEU 44 HA LEU 44 0.467 -0.346 -4.764 309 HB2 LEU 44 HB3 LEU 44 0.859 0.397 -2.468 310 HB3 LEU 44 HB2 LEU 44 1.941 -0.960 -2.187 311 HG LEU 44 HG LEU 44 3.626 -0.059 -3.577 312 HD11 LEU 44 HD11 LEU 44 2.418 0.484 -5.574 313 HD12 LEU 44 HD12 LEU 44 3.146 1.990 -5.021 314 HD13 LEU 44 HD13 LEU 44 1.436 1.683 -4.730 315 HD21 LEU 44 HD21 LEU 44 3.963 2.218 -2.766 316 HD22 LEU 44 HD22 LEU 44 3.287 1.225 -1.475 317 HD23 LEU 44 HD23 LEU 44 2.253 2.350 -2.357 318 H GLN 45 H GLN 45 0.492 -3.080 -5.603 319 HA GLN 45 HA GLN 45 3.357 -3.803 -5.702 320 HB2 GLN 45 HB3 GLN 45 1.399 -5.338 -7.326 321 HB3 GLN 45 HB2 GLN 45 2.722 -5.912 -6.305 322 HG2 GLN 45 HG3 GLN 45 0.193 -4.693 -5.185 323 HG3 GLN 45 HG2 GLN 45 0.392 -6.417 -5.451 324 HE21 GLN 45 HE21 GLN 45 2.200 -7.501 -4.237 325 HE22 GLN 45 HE22 GLN 45 2.741 -6.826 -2.777 326 H VAL 46 H VAL 46 4.563 -3.847 -7.579 327 HA VAL 46 HA VAL 46 4.506 -1.803 -9.385 328 HB VAL 46 HB VAL 46 6.258 -3.632 -9.183 329 HG11 VAL 46 HG11 VAL 46 4.489 -5.450 -9.605 330 HG12 VAL 46 HG12 VAL 46 6.034 -5.631 -10.438 331 HG13 VAL 46 HG13 VAL 46 4.628 -5.020 -11.311 332 HG21 VAL 46 HG21 VAL 46 6.272 -1.837 -10.933 333 HG22 VAL 46 HG22 VAL 46 5.388 -2.928 -12.002 334 HG23 VAL 46 HG23 VAL 46 7.021 -3.340 -11.477 335 H ALA 47 H ALA 47 2.246 -4.479 -9.432 336 HA ALA 47 HA ALA 47 1.021 -3.250 -11.851 337 HB1 ALA 47 HB1 ALA 47 2.568 -5.200 -12.463 338 HB2 ALA 47 HB2 ALA 47 0.914 -5.276 -13.072 339 HB3 ALA 47 HB3 ALA 47 1.383 -6.239 -11.671 340 H CYS 48 H CYS 48 0.001 -3.047 -9.224 341 HA CYS 48 HA CYS 48 -2.516 -4.606 -9.575 342 HB2 CYS 48 HB3 CYS 48 -0.914 -5.612 -7.801 343 HB3 CYS 48 HB2 CYS 48 -1.334 -4.200 -6.834 344 HA PRO 49 HA PRO 49 -3.389 -0.203 -8.593 345 HB2 PRO 49 HB3 PRO 49 -4.814 0.422 -10.796 346 HB3 PRO 49 HB2 PRO 49 -3.040 0.369 -10.822 347 HG2 PRO 49 HG3 PRO 49 -5.002 -1.588 -11.883 348 HG3 PRO 49 HG2 PRO 49 -3.407 -1.138 -12.504 349 HD2 PRO 49 HD3 PRO 49 -3.992 -3.429 -10.954 350 HD3 PRO 49 HD2 PRO 49 -2.371 -2.786 -11.296 351 H TYR 50 H TYR 50 -4.848 -0.660 -6.904 352 HA TYR 50 HA TYR 50 -7.669 -0.498 -7.499 353 HB2 TYR 50 HB3 TYR 50 -6.508 -3.155 -6.616 354 HB3 TYR 50 HB2 TYR 50 -8.188 -2.723 -6.308 355 HD1 TYR 50 HD1 TYR 50 -5.997 -4.253 -8.613 356 HD2 TYR 50 HD2 TYR 50 -9.498 -1.770 -8.424 357 HE1 TYR 50 HE1 TYR 50 -6.595 -4.918 -10.926 358 HE2 TYR 50 HE2 TYR 50 -10.095 -2.435 -10.736 359 HH TYR 50 HH TYR 50 -9.615 -4.426 -12.257 360 H VAL 51 H VAL 51 -8.598 0.472 -5.686 361 HA VAL 51 HA VAL 51 -6.889 0.558 -3.266 362 HB VAL 51 HB VAL 51 -7.354 2.751 -3.955 363 HG11 VAL 51 HG11 VAL 51 -9.609 3.535 -4.558 364 HG12 VAL 51 HG12 VAL 51 -10.253 1.923 -4.258 365 HG13 VAL 51 HG13 VAL 51 -9.117 2.187 -5.583 366 HG21 VAL 51 HG21 VAL 51 -8.296 3.641 -2.057 367 HG22 VAL 51 HG22 VAL 51 -8.068 1.986 -1.496 368 HG23 VAL 51 HG23 VAL 51 -9.652 2.515 -2.063 369 H GLY 52 H GLY 52 -7.361 -1.049 -1.919 370 HA2 GLY 52 HA3 GLY 52 -10.107 -2.044 -1.637 371 HA3 GLY 52 HA2 GLY 52 -8.681 -2.701 -0.849 372 H CYS 53 H CYS 53 -10.409 -2.616 0.987 373 HA CYS 53 HA CYS 53 -10.627 0.075 2.224 374 HB2 CYS 53 HB3 CYS 53 -11.767 -1.633 4.022 375 HB3 CYS 53 HB2 CYS 53 -12.676 -0.875 2.740 376 H GLY 54 H GLY 54 -10.421 0.021 4.597 377 HA2 GLY 54 HA3 GLY 54 -8.087 -1.606 5.517 378 HA3 GLY 54 HA2 GLY 54 -8.361 0.072 6.037 379 H GLU 55 H GLU 55 -8.430 -2.162 7.904 380 HA GLU 55 HA GLU 55 -10.644 -3.459 8.624 381 HB2 GLU 55 HB3 GLU 55 -10.389 -2.848 10.922 382 HB3 GLU 55 HB2 GLU 55 -8.779 -2.812 10.209 383 HG2 GLU 55 HG3 GLU 55 -9.201 -0.312 9.791 384 HG3 GLU 55 HG2 GLU 55 -10.560 -0.479 10.904 385 H SER 56 H SER 56 -10.501 0.026 8.426 386 HA SER 56 HA SER 56 -12.780 1.060 9.428 387 HB2 SER 56 HB3 SER 56 -11.287 1.501 6.968 388 HB3 SER 56 HB2 SER 56 -12.989 1.850 6.740 389 HG SER 56 HG SER 56 -12.193 3.692 7.568 390 H PHE 57 H PHE 57 -12.668 -1.104 6.602 391 HA PHE 57 HA PHE 57 -15.612 -1.549 6.951 392 HB2 PHE 57 HB3 PHE 57 -15.145 -0.494 4.807 393 HB3 PHE 57 HB2 PHE 57 -13.980 -1.735 4.418 394 HD1 PHE 57 HD1 PHE 57 -14.742 -3.418 2.992 395 HD2 PHE 57 HD2 PHE 57 -17.510 -1.574 5.713 396 HE1 PHE 57 HE1 PHE 57 -16.560 -4.864 2.125 397 HE2 PHE 57 HE2 PHE 57 -19.324 -3.020 4.844 398 HZ PHE 57 HZ PHE 57 -18.851 -4.664 3.051 399 H ALA 58 H ALA 58 -13.606 -3.354 4.809 400 HA ALA 58 HA ALA 58 -13.775 -5.729 6.637 401 HB1 ALA 58 HB1 ALA 58 -13.800 -5.743 3.602 402 HB2 ALA 58 HB2 ALA 58 -15.246 -5.876 4.602 403 HB3 ALA 58 HB3 ALA 58 -14.012 -7.135 4.663 404 H ASP 59 H ASP 59 -11.757 -3.504 5.346 405 HA ASP 59 HA ASP 59 -9.459 -3.407 4.972 406 HB2 ASP 59 HB3 ASP 59 -9.287 -4.146 7.253 407 HB3 ASP 59 HB2 ASP 59 -9.616 -5.809 6.808 408 H HIS 60 H HIS 60 -10.338 -4.212 2.666 409 HA HIS 60 HA HIS 60 -9.956 -6.848 1.761 410 HB2 HIS 60 HB3 HIS 60 -9.880 -4.186 0.521 411 HB3 HIS 60 HB2 HIS 60 -8.827 -5.327 -0.287 412 HD2 HIS 60 HD2 HIS 60 -10.371 -7.913 -0.795 413 HE1 HIS 60 HE1 HIS 60 -13.909 -5.730 -1.508 414 HE2 HIS 60 HE2 HIS 60 -12.779 -7.980 -1.783 415 H SER 61 H SER 61 -7.729 -4.457 2.840 416 HA SER 61 HA SER 61 -5.262 -5.148 1.790 417 HB2 SER 61 HB3 SER 61 -6.009 -3.541 3.771 418 HB3 SER 61 HB2 SER 61 -5.455 -4.876 4.768 419 HG SER 61 HG SER 61 -4.034 -3.068 3.316 420 H THR 62 H THR 62 -7.187 -7.039 4.065 421 HA THR 62 HA THR 62 -4.982 -8.943 4.458 422 HB THR 62 HB THR 62 -6.943 -10.179 5.679 423 HG1 THR 62 HG1 THR 62 -8.717 -9.093 5.414 424 HG21 THR 62 HG21 THR 62 -5.167 -9.358 6.993 425 HG22 THR 62 HG22 THR 62 -6.579 -8.537 7.654 426 HG23 THR 62 HG23 THR 62 -5.499 -7.684 6.553 427 H ILE 63 H ILE 63 -8.412 -9.387 3.499 428 HA ILE 63 HA ILE 63 -7.980 -11.929 2.389 429 HB ILE 63 HB ILE 63 -10.053 -11.443 0.997 430 HG12 ILE 63 HG13 ILE 63 -10.135 -8.946 2.690 431 HG13 ILE 63 HG12 ILE 63 -9.511 -8.957 1.041 432 HG21 ILE 63 HG21 ILE 63 -10.184 -12.542 3.185 433 HG22 ILE 63 HG22 ILE 63 -11.512 -11.393 3.023 434 HG23 ILE 63 HG23 ILE 63 -10.102 -10.979 3.998 435 HD11 ILE 63 HD11 ILE 63 -12.244 -10.037 1.742 436 HD12 ILE 63 HD12 ILE 63 -11.613 -9.652 0.141 437 HD13 ILE 63 HD13 ILE 63 -11.983 -8.356 1.279 438 H HIS 64 H HIS 64 -7.547 -8.754 1.028 439 HA HIS 64 HA HIS 64 -7.166 -9.621 -1.707 440 HB2 HIS 64 HB3 HIS 64 -7.731 -7.267 -1.156 441 HB3 HIS 64 HB2 HIS 64 -6.169 -7.096 -0.351 442 HD1 HIS 64 HD1 HIS 64 -7.740 -6.779 -3.621 443 HD2 HIS 64 HD2 HIS 64 -3.904 -7.618 -2.216 444 HE1 HIS 64 HE1 HIS 64 -6.167 -6.443 -5.581 445 H ALA 65 H ALA 65 -4.976 -8.932 1.027 446 HA ALA 65 HA ALA 65 -2.585 -9.561 -0.550 447 HB1 ALA 65 HB1 ALA 65 -2.338 -8.097 1.385 448 HB2 ALA 65 HB2 ALA 65 -1.481 -9.600 1.728 449 HB3 ALA 65 HB3 ALA 65 -3.067 -9.306 2.441 450 H GLN 66 H GLN 66 -5.013 -11.157 1.132 451 HA GLN 66 HA GLN 66 -3.638 -13.671 1.675 452 HB2 GLN 66 HB3 GLN 66 -5.382 -12.918 3.145 453 HB3 GLN 66 HB2 GLN 66 -6.446 -12.629 1.799 454 HG2 GLN 66 HG3 GLN 66 -7.348 -14.607 2.416 455 HG3 GLN 66 HG2 GLN 66 -6.047 -15.267 1.426 456 HE21 GLN 66 HE21 GLN 66 -3.872 -14.615 3.287 457 HE22 GLN 66 HE22 GLN 66 -4.045 -15.640 4.629 458 H ALA 67 H ALA 67 -5.857 -12.371 -0.767 459 HA ALA 67 HA ALA 67 -6.149 -14.996 -2.056 460 HB1 ALA 67 HB1 ALA 67 -8.159 -13.902 -2.287 461 HB2 ALA 67 HB2 ALA 67 -7.385 -13.332 -3.766 462 HB3 ALA 67 HB3 ALA 67 -7.405 -12.309 -2.330 463 H LYS 68 H LYS 68 -4.731 -11.829 -2.782 464 HA LYS 68 HA LYS 68 -3.481 -12.960 -5.230 465 HB2 LYS 68 HB3 LYS 68 -3.526 -10.115 -4.187 466 HB3 LYS 68 HB2 LYS 68 -2.951 -10.638 -5.767 467 HG2 LYS 68 HG3 LYS 68 -5.104 -10.129 -6.403 468 HG3 LYS 68 HG2 LYS 68 -5.414 -11.761 -5.807 469 HD2 LYS 68 HD3 LYS 68 -6.133 -10.919 -3.665 470 HD3 LYS 68 HD2 LYS 68 -5.638 -9.285 -4.087 471 HE2 LYS 68 HE3 LYS 68 -8.159 -9.939 -4.321 472 HE3 LYS 68 HE2 LYS 68 -7.398 -8.997 -5.604 473 HZ1 LYS 68 HZ1 LYS 68 -8.746 -11.086 -6.216 474 HZ2 LYS 68 HZ2 LYS 68 -7.369 -11.942 -5.706 475 HZ3 LYS 68 HZ3 LYS 68 -7.255 -10.824 -6.981 476 H LYS 69 H LYS 69 -2.779 -12.904 -2.079 477 HA LYS 69 HA LYS 69 -0.815 -13.080 -0.840 478 HB2 LYS 69 HB3 LYS 69 -0.103 -14.023 -3.578 479 HB3 LYS 69 HB2 LYS 69 1.232 -13.701 -2.473 480 HG2 LYS 69 HG3 LYS 69 0.341 -16.077 -2.421 481 HG3 LYS 69 HG2 LYS 69 0.389 -15.263 -0.859 482 HD2 LYS 69 HD3 LYS 69 -1.917 -15.071 -0.727 483 HD3 LYS 69 HD2 LYS 69 -2.122 -15.031 -2.477 484 HE2 LYS 69 HE3 LYS 69 -1.732 -17.400 -2.654 485 HE3 LYS 69 HE2 LYS 69 -1.236 -17.499 -0.965 486 HZ1 LYS 69 HZ1 LYS 69 -3.691 -18.044 -1.771 487 HZ2 LYS 69 HZ2 LYS 69 -3.870 -16.377 -1.488 488 HZ3 LYS 69 HZ3 LYS 69 -3.354 -17.404 -0.237 489 H HIS 70 H HIS 70 -1.486 -10.451 -2.446 490 HA HIS 70 HA HIS 70 1.174 -9.231 -2.747 491 HB2 HIS 70 HB3 HIS 70 -1.606 -7.997 -2.650 492 HB3 HIS 70 HB2 HIS 70 -0.127 -7.109 -2.995 493 HD2 HIS 70 HD2 HIS 70 1.091 -9.673 -4.962 494 HE1 HIS 70 HE1 HIS 70 -2.176 -8.554 -7.387 495 HE2 HIS 70 HE2 HIS 70 0.022 -9.815 -7.333 496 H ASN 71 H ASN 71 2.378 -8.688 -0.957 497 HA ASN 71 HA ASN 71 1.024 -8.550 1.654 498 HB2 ASN 71 HB3 ASN 71 3.502 -8.140 2.367 499 HB3 ASN 71 HB2 ASN 71 3.005 -9.738 1.817 500 HD21 ASN 71 HD21 ASN 71 3.314 -10.094 -0.660 501 HD22 ASN 71 HD22 ASN 71 4.702 -9.414 -1.362 502 H LEU 72 H LEU 72 2.880 -6.362 -0.445 503 HA LEU 72 HA LEU 72 2.721 -4.204 1.496 504 HB2 LEU 72 HB3 LEU 72 3.635 -4.296 -1.376 505 HB3 LEU 72 HB2 LEU 72 3.739 -2.859 -0.358 506 HG LEU 72 HG LEU 72 4.883 -5.514 0.511 507 HD11 LEU 72 HD11 LEU 72 6.061 -3.400 -1.273 508 HD12 LEU 72 HD12 LEU 72 6.109 -5.152 -1.449 509 HD13 LEU 72 HD13 LEU 72 7.098 -4.364 -0.223 510 HD21 LEU 72 HD21 LEU 72 5.116 -2.634 1.384 511 HD22 LEU 72 HD22 LEU 72 6.411 -3.773 1.743 512 HD23 LEU 72 HD23 LEU 72 4.788 -4.064 2.362 513 H THR 73 H THR 73 1.350 -2.611 1.643 514 HA THR 73 HA THR 73 -0.451 -1.837 -0.556 515 HB THR 73 HB THR 73 -2.480 -2.145 0.675 516 HG1 THR 73 HG1 THR 73 -1.507 -3.276 2.927 517 HG21 THR 73 HG21 THR 73 -1.475 -4.241 -0.276 518 HG22 THR 73 HG22 THR 73 -2.551 -4.528 1.090 519 HG23 THR 73 HG23 THR 73 -0.804 -4.584 1.319 520 H VAL 74 H VAL 74 -1.311 0.387 -0.068 521 HA VAL 74 HA VAL 74 0.256 1.659 2.148 522 HB VAL 74 HB VAL 74 1.250 2.415 0.146 523 HG11 VAL 74 HG11 VAL 74 0.044 3.095 -1.814 524 HG12 VAL 74 HG12 VAL 74 -1.488 3.129 -0.943 525 HG13 VAL 74 HG13 VAL 74 -0.704 1.588 -1.288 526 HG21 VAL 74 HG21 VAL 74 0.880 4.761 0.225 527 HG22 VAL 74 HG22 VAL 74 0.449 4.194 1.836 528 HG23 VAL 74 HG23 VAL 74 -0.816 4.564 0.667 529 H ASN 75 H ASN 75 -0.901 2.566 3.678 530 HA ASN 75 HA ASN 75 -3.785 2.884 3.441 531 HB2 ASN 75 HB3 ASN 75 -2.416 2.282 5.560 532 HB3 ASN 75 HB2 ASN 75 -2.076 4.009 5.660 533 HD21 ASN 75 HD21 ASN 75 -3.682 2.555 7.614 534 HD22 ASN 75 HD22 ASN 75 -5.254 3.190 7.547 535 H LEU 76 H LEU 76 -4.352 4.503 2.033 536 HA LEU 76 HA LEU 76 -2.879 6.974 1.773 537 HB2 LEU 76 HB3 LEU 76 -5.771 6.508 1.023 538 HB3 LEU 76 HB2 LEU 76 -4.642 7.653 0.305 539 HG LEU 76 HG LEU 76 -3.521 4.979 0.217 540 HD11 LEU 76 HD11 LEU 76 -5.972 4.379 0.234 541 HD12 LEU 76 HD12 LEU 76 -5.086 3.857 -1.193 542 HD13 LEU 76 HD13 LEU 76 -6.128 5.273 -1.278 543 HD21 LEU 76 HD21 LEU 76 -4.457 6.501 -2.191 544 HD22 LEU 76 HD22 LEU 76 -2.997 5.544 -1.979 545 HD23 LEU 76 HD23 LEU 76 -3.122 7.134 -1.229 546 H THR 77 H THR 77 -4.236 5.959 4.417 547 HA THR 77 HA THR 77 -5.781 8.390 5.120 548 HB THR 77 HB THR 77 -5.120 5.934 6.766 549 HG1 THR 77 HG1 THR 77 -6.432 5.291 5.151 550 HG21 THR 77 HG21 THR 77 -7.024 8.248 7.186 551 HG22 THR 77 HG22 THR 77 -5.630 7.828 8.177 552 HG23 THR 77 HG23 THR 77 -7.041 6.772 8.151 553 H THR 78 H THR 78 -2.837 6.633 5.966 554 HA THR 78 HA THR 78 -1.905 9.043 7.474 555 HB THR 78 HB THR 78 -0.887 6.222 7.830 556 HG1 THR 78 HG1 THR 78 -2.976 7.619 9.132 557 HG21 THR 78 HG21 THR 78 0.616 7.934 8.655 558 HG22 THR 78 HG22 THR 78 -0.175 7.180 10.040 559 HG23 THR 78 HG23 THR 78 -0.710 8.763 9.472 560 H PHE 79 H PHE 79 -1.278 7.023 4.773 561 HA PHE 79 HA PHE 79 0.332 7.338 3.083 562 HB2 PHE 79 HB3 PHE 79 0.364 9.768 4.173 563 HB3 PHE 79 HB2 PHE 79 1.940 9.234 4.757 564 HD1 PHE 79 HD1 PHE 79 3.807 9.435 3.357 565 HD2 PHE 79 HD2 PHE 79 -0.123 9.326 1.625 566 HE1 PHE 79 HE1 PHE 79 4.782 9.870 1.119 567 HE2 PHE 79 HE2 PHE 79 0.852 9.762 -0.613 568 HZ PHE 79 HZ PHE 79 3.304 10.035 -0.866 569 H ARG 80 H ARG 80 0.568 5.150 4.556 570 HA ARG 80 HA ARG 80 3.503 4.810 4.797 571 HB2 ARG 80 HB3 ARG 80 2.591 3.184 6.836 572 HB3 ARG 80 HB2 ARG 80 3.366 4.745 7.070 573 HG2 ARG 80 HG3 ARG 80 1.327 5.851 7.416 574 HG3 ARG 80 HG2 ARG 80 0.394 4.601 6.588 575 HD2 ARG 80 HD3 ARG 80 0.880 3.024 8.416 576 HD3 ARG 80 HD2 ARG 80 1.808 4.263 9.251 577 HE ARG 80 HE ARG 80 -0.242 5.379 9.802 578 HH11 ARG 80 HH11 ARG 80 -2.467 5.246 10.160 579 HH12 ARG 80 HH12 ARG 80 -3.384 3.995 9.390 580 HH21 ARG 80 HH21 ARG 80 -0.651 2.617 7.765 581 HH22 ARG 80 HH22 ARG 80 -2.357 2.509 8.038 582 H LEU 81 H LEU 81 3.758 2.216 5.187 583 HA LEU 81 HA LEU 81 1.862 0.970 3.243 584 HB2 LEU 81 HB3 LEU 81 4.796 0.899 3.496 585 HB3 LEU 81 HB2 LEU 81 4.048 -0.636 3.096 586 HG LEU 81 HG LEU 81 3.200 1.824 1.619 587 HD11 LEU 81 HD11 LEU 81 5.664 1.934 1.613 588 HD12 LEU 81 HD12 LEU 81 5.045 1.542 0.009 589 HD13 LEU 81 HD13 LEU 81 5.736 0.274 1.022 590 HD21 LEU 81 HD21 LEU 81 3.709 -0.518 0.005 591 HD22 LEU 81 HD22 LEU 81 2.173 0.277 0.330 592 HD23 LEU 81 HD23 LEU 81 2.755 -0.986 1.409 593 H TRP 82 H TRP 82 2.040 -1.517 3.450 594 HA TRP 82 HA TRP 82 2.327 -2.485 6.210 595 HB2 TRP 82 HB3 TRP 82 0.034 -1.665 6.277 596 HB3 TRP 82 HB2 TRP 82 -0.335 -2.465 4.750 597 HD1 TRP 82 HD TRP 82 -1.360 -4.779 4.941 598 HE1 TRP 82 HE1 TRP 82 -1.518 -6.583 6.775 599 HE3 TRP 82 HE3 TRP 82 1.544 -2.627 8.549 600 HZ2 TRP 82 HZ2 TRP 82 -0.542 -7.052 9.422 601 HZ3 TRP 82 HZ3 TRP 82 1.912 -3.773 10.715 602 HH2 TRP 82 HH2 TRP 82 0.875 -5.981 11.155 603 H CYS 83 H CYS 83 3.605 -4.213 5.747 604 HA CYS 83 HA CYS 83 3.171 -5.694 3.230 605 HB2 CYS 83 HB3 CYS 83 5.449 -4.934 4.489 606 HB3 CYS 83 HB2 CYS 83 5.259 -6.558 5.140 607 H TYR 84 H TYR 84 1.561 -7.258 3.425 608 HA TYR 84 HA TYR 84 1.022 -8.565 5.964 609 HB2 TYR 84 HB3 TYR 84 -0.513 -8.342 3.800 610 HB3 TYR 84 HB2 TYR 84 0.304 -9.831 3.320 611 HD1 TYR 84 HD1 TYR 84 -0.521 -11.885 4.076 612 HD2 TYR 84 HD2 TYR 84 -1.447 -8.306 6.265 613 HE1 TYR 84 HE1 TYR 84 -2.006 -13.187 5.576 614 HE2 TYR 84 HE2 TYR 84 -2.932 -9.608 7.765 615 HH TYR 84 HH TYR 84 -4.149 -11.658 7.817 616 H ALA 85 H ALA 85 3.638 -8.606 4.087 617 HA ALA 85 HA ALA 85 4.239 -11.494 4.410 618 HB1 ALA 85 HB1 ALA 85 5.458 -9.285 2.755 619 HB2 ALA 85 HB2 ALA 85 4.887 -10.869 2.230 620 HB3 ALA 85 HB3 ALA 85 6.390 -10.730 3.135 621 H CYS 86 H CYS 86 6.172 -8.466 4.679 622 HA CYS 86 HA CYS 86 7.761 -9.485 6.847 623 HB2 CYS 86 HB3 CYS 86 7.155 -6.578 6.180 624 HB3 CYS 86 HB2 CYS 86 8.532 -7.180 7.096 625 H GLU 87 H GLU 87 4.603 -8.527 6.462 626 HA GLU 87 HA GLU 87 2.855 -7.961 7.902 627 HB2 GLU 87 HB3 GLU 87 4.307 -10.222 8.854 628 HB3 GLU 87 HB2 GLU 87 3.779 -9.293 10.247 629 HG2 GLU 87 HG3 GLU 87 1.918 -10.019 7.981 630 HG3 GLU 87 HG2 GLU 87 2.125 -11.034 9.405 631 H LYS 88 H LYS 88 4.089 -5.767 7.767 632 HA LYS 88 HA LYS 88 4.058 -4.650 10.462 633 HB2 LYS 88 HB3 LYS 88 6.403 -3.648 10.144 634 HB3 LYS 88 HB2 LYS 88 6.329 -5.355 10.584 635 HG2 LYS 88 HG3 LYS 88 6.722 -6.048 8.330 636 HG3 LYS 88 HG2 LYS 88 6.473 -4.420 7.711 637 HD2 LYS 88 HD3 LYS 88 8.830 -4.682 7.738 638 HD3 LYS 88 HD2 LYS 88 8.477 -3.739 9.184 639 HE2 LYS 88 HE3 LYS 88 8.261 -6.447 9.977 640 HE3 LYS 88 HE2 LYS 88 9.714 -6.351 8.982 641 HZ1 LYS 88 HZ1 LYS 88 9.146 -4.393 11.124 642 HZ2 LYS 88 HZ2 LYS 88 10.625 -4.710 10.350 643 HZ3 LYS 88 HZ3 LYS 88 9.966 -5.845 11.430 644 H GLU 89 H GLU 89 4.947 -2.192 10.139 645 HA GLU 89 HA GLU 89 3.567 -1.184 7.683 646 HB2 GLU 89 HB3 GLU 89 3.210 -0.548 10.404 647 HB3 GLU 89 HB2 GLU 89 4.084 0.827 9.732 648 HG2 GLU 89 HG3 GLU 89 2.388 1.298 8.169 649 HG3 GLU 89 HG2 GLU 89 1.682 -0.311 8.303 650 H VAL 90 H VAL 90 4.679 0.359 6.363 651 HA VAL 90 HA VAL 90 7.343 1.257 7.289 652 HB VAL 90 HB VAL 90 8.074 0.372 4.805 653 HG11 VAL 90 HG11 VAL 90 9.255 -1.412 5.960 654 HG12 VAL 90 HG12 VAL 90 8.134 -1.327 7.318 655 HG13 VAL 90 HG13 VAL 90 9.236 0.012 7.000 656 HG21 VAL 90 HG21 VAL 90 6.412 -1.898 5.900 657 HG22 VAL 90 HG22 VAL 90 7.113 -1.719 4.292 658 HG23 VAL 90 HG23 VAL 90 5.721 -0.746 4.758 659 H PHE 91 H PHE 91 8.073 3.085 6.178 660 HA PHE 91 HA PHE 91 6.047 4.402 4.430 661 HB2 PHE 91 HB3 PHE 91 8.434 5.556 5.904 662 HB3 PHE 91 HB2 PHE 91 7.288 6.478 4.935 663 HD1 PHE 91 HD1 PHE 91 7.378 4.073 7.816 664 HD2 PHE 91 HD2 PHE 91 5.399 7.408 5.967 665 HE1 PHE 91 HE1 PHE 91 5.872 4.268 9.777 666 HE2 PHE 91 HE2 PHE 91 3.893 7.601 7.927 667 HZ PHE 91 HZ PHE 91 4.129 6.031 9.832 668 H LEU 92 H LEU 92 7.088 5.832 2.691 669 HA LEU 92 HA LEU 92 8.581 4.328 0.868 670 HB2 LEU 92 HB3 LEU 92 9.145 7.266 0.987 671 HB3 LEU 92 HB2 LEU 92 8.716 6.262 -0.397 672 HG LEU 92 HG LEU 92 6.403 6.044 0.920 673 HD11 LEU 92 HD11 LEU 92 7.143 8.863 1.675 674 HD12 LEU 92 HD12 LEU 92 7.526 7.537 2.772 675 HD13 LEU 92 HD13 LEU 92 5.852 7.844 2.311 676 HD21 LEU 92 HD21 LEU 92 7.176 8.543 -0.622 677 HD22 LEU 92 HD22 LEU 92 5.546 7.901 -0.429 678 HD23 LEU 92 HD23 LEU 92 6.743 7.000 -1.358 679 H GLU 93 H GLU 93 10.798 4.105 0.529 680 HA GLU 93 HA GLU 93 12.533 3.842 2.679 681 HB2 GLU 93 HB3 GLU 93 14.356 4.298 0.804 682 HB3 GLU 93 HB2 GLU 93 13.344 2.854 0.747 683 HG2 GLU 93 HG3 GLU 93 12.214 5.296 -0.538 684 HG3 GLU 93 HG2 GLU 93 13.588 4.547 -1.355 685 H GLN 94 H GLN 94 11.222 6.743 1.832 686 HA GLN 94 HA GLN 94 11.722 8.940 2.451 687 HB2 GLN 94 HB3 GLN 94 14.124 7.876 3.942 688 HB3 GLN 94 HB2 GLN 94 13.147 9.298 4.305 689 HG2 GLN 94 HG3 GLN 94 11.186 7.624 4.592 690 HG3 GLN 94 HG2 GLN 94 12.442 6.391 4.695 691 HE21 GLN 94 HE21 GLN 94 11.500 6.226 7.016 692 HE22 GLN 94 HE22 GLN 94 12.156 7.263 8.189 693 H ARG 95 H ARG 95 14.439 6.957 1.339 694 HA ARG 95 HA ARG 95 16.301 8.924 0.670 695 HB2 ARG 95 HB3 ARG 95 17.291 7.334 -0.708 696 HB3 ARG 95 HB2 ARG 95 16.262 6.306 0.281 697 HG2 ARG 95 HG3 ARG 95 15.768 5.551 -1.873 698 HG3 ARG 95 HG2 ARG 95 14.471 6.703 -1.579 699 HD2 ARG 95 HD3 ARG 95 15.110 7.785 -3.462 700 HD3 ARG 95 HD2 ARG 95 16.610 8.223 -2.648 701 HE ARG 95 HE ARG 95 17.011 5.615 -3.576 702 HH11 ARG 95 HH11 ARG 95 17.986 5.228 -5.578 703 HH12 ARG 95 HH12 ARG 95 17.940 6.454 -6.801 704 HH21 ARG 95 HH21 ARG 95 16.169 8.707 -4.848 705 HH22 ARG 95 HH22 ARG 95 16.911 8.423 -6.387 706 H LEU 96 H LEU 96 13.309 8.078 -0.987 707 HA LEU 96 HA LEU 96 13.837 10.077 -3.108 708 HB2 LEU 96 HB3 LEU 96 11.661 9.290 -4.029 709 HB3 LEU 96 HB2 LEU 96 12.803 7.971 -3.791 710 HG LEU 96 HG LEU 96 11.538 8.016 -1.352 711 HD11 LEU 96 HD11 LEU 96 9.484 8.717 -3.473 712 HD12 LEU 96 HD12 LEU 96 9.910 9.699 -2.072 713 HD13 LEU 96 HD13 LEU 96 9.105 8.148 -1.848 714 HD21 LEU 96 HD21 LEU 96 10.310 6.039 -2.174 715 HD22 LEU 96 HD22 LEU 96 11.974 6.033 -2.761 716 HD23 LEU 96 HD23 LEU 96 10.660 6.510 -3.837 717 H ALA 97 H ALA 97 11.571 11.343 -3.598 718 HA ALA 97 HA ALA 97 10.227 12.248 -1.159 719 HB1 ALA 97 HB1 ALA 97 10.988 14.551 -1.251 720 HB2 ALA 97 HB2 ALA 97 11.949 14.218 -2.693 721 HB3 ALA 97 HB3 ALA 97 12.405 13.506 -1.145 722 H ALA 98 H ALA 98 9.283 14.708 -2.183 723 HA ALA 98 HA ALA 98 7.321 13.725 -4.096 724 HB1 ALA 98 HB1 ALA 98 7.826 16.338 -2.697 725 HB2 ALA 98 HB2 ALA 98 6.406 15.297 -2.623 726 HB3 ALA 98 HB3 ALA 98 6.702 16.282 -4.055 727 HA PRO 99 HA PRO 99 9.440 14.890 -7.803 728 HB2 PRO 99 HB3 PRO 99 7.331 15.494 -9.447 729 HB3 PRO 99 HB2 PRO 99 7.760 13.836 -8.983 730 HG2 PRO 99 HG3 PRO 99 5.633 15.613 -7.889 731 HG3 PRO 99 HG2 PRO 99 5.582 13.876 -8.240 732 HD2 PRO 99 HD3 PRO 99 5.915 14.859 -5.710 733 HD3 PRO 99 HD2 PRO 99 6.598 13.304 -6.238 Start of MODEL 18 1 H1 MET 1 H1 MET 1 20.945 -2.138 -4.555 2 HA MET 1 HA MET 1 20.992 -0.973 -2.150 3 HB2 MET 1 HB3 MET 1 20.640 0.017 -4.463 4 HB3 MET 1 HB2 MET 1 18.927 -0.362 -4.280 5 HG2 MET 1 HG3 MET 1 18.925 0.971 -2.150 6 HG3 MET 1 HG2 MET 1 20.582 1.456 -2.508 7 HE1 MET 1 HE1 MET 1 20.761 3.976 -3.359 8 HE2 MET 1 HE2 MET 1 19.626 3.679 -2.045 9 HE3 MET 1 HE3 MET 1 19.177 4.764 -3.360 10 H GLY 2 H GLY 2 19.867 -1.181 -0.282 11 HA2 GLY 2 HA3 GLY 2 16.982 -1.428 -0.239 12 HA3 GLY 2 HA2 GLY 2 17.764 -2.948 0.198 13 H ASP 3 H ASP 3 19.733 -2.471 1.821 14 HA ASP 3 HA ASP 3 20.383 -1.714 3.948 15 HB2 ASP 3 HB3 ASP 3 18.428 0.559 3.826 16 HB3 ASP 3 HB2 ASP 3 20.075 0.531 4.456 17 H SER 4 H SER 4 18.390 -0.232 5.695 18 HA SER 4 HA SER 4 16.039 -1.866 5.951 19 HB2 SER 4 HB3 SER 4 17.334 -3.677 6.697 20 HB3 SER 4 HB2 SER 4 18.481 -2.635 7.536 21 HG SER 4 HG SER 4 15.932 -3.509 8.295 22 H ARG 5 H ARG 5 14.770 -0.239 6.651 23 HA ARG 5 HA ARG 5 14.967 0.828 9.286 24 HB2 ARG 5 HB3 ARG 5 15.292 3.298 8.268 25 HB3 ARG 5 HB2 ARG 5 16.656 2.336 8.831 26 HG2 ARG 5 HG3 ARG 5 17.374 1.837 6.680 27 HG3 ARG 5 HG2 ARG 5 15.760 2.000 5.988 28 HD2 ARG 5 HD3 ARG 5 15.873 4.353 5.966 29 HD3 ARG 5 HD2 ARG 5 17.188 4.391 7.141 30 HE ARG 5 HE ARG 5 17.920 3.055 4.653 31 HH11 ARG 5 HH11 ARG 5 19.466 4.129 3.401 32 HH12 ARG 5 HH12 ARG 5 19.830 5.789 3.735 33 HH21 ARG 5 HH21 ARG 5 17.581 6.030 6.363 34 HH22 ARG 5 HH22 ARG 5 18.763 6.866 5.411 35 H ASP 6 H ASP 6 13.988 1.796 5.998 36 HA ASP 6 HA ASP 6 11.186 2.097 7.012 37 HB2 ASP 6 HB3 ASP 6 12.723 4.203 6.217 38 HB3 ASP 6 HB2 ASP 6 12.014 3.736 4.674 39 H LEU 7 H LEU 7 13.381 1.065 4.500 40 HA LEU 7 HA LEU 7 11.254 0.344 2.641 41 HB2 LEU 7 HB3 LEU 7 12.934 0.032 1.128 42 HB3 LEU 7 HB2 LEU 7 13.884 0.917 2.309 43 HG LEU 7 HG LEU 7 15.153 -1.001 1.671 44 HD11 LEU 7 HD11 LEU 7 14.464 -2.366 4.077 45 HD12 LEU 7 HD12 LEU 7 14.258 -0.638 4.360 46 HD13 LEU 7 HD13 LEU 7 15.800 -1.258 3.785 47 HD21 LEU 7 HD21 LEU 7 12.688 -2.231 1.244 48 HD22 LEU 7 HD22 LEU 7 13.390 -3.142 2.580 49 HD23 LEU 7 HD23 LEU 7 14.272 -2.977 1.065 50 H CYS 8 H CYS 8 10.687 -1.844 2.067 51 HA CYS 8 HA CYS 8 11.208 -3.827 4.252 52 HB2 CYS 8 HB3 CYS 8 8.967 -4.042 4.465 53 HB3 CYS 8 HB2 CYS 8 8.724 -2.817 3.226 54 HA PRO 9 HA PRO 9 13.008 -6.701 1.442 55 HB2 PRO 9 HB3 PRO 9 11.386 -8.954 1.819 56 HB3 PRO 9 HB2 PRO 9 12.734 -8.487 2.862 57 HG2 PRO 9 HG3 PRO 9 9.838 -7.921 3.184 58 HG3 PRO 9 HG2 PRO 9 10.986 -8.476 4.406 59 HD2 PRO 9 HD3 PRO 9 10.301 -5.919 4.366 60 HD3 PRO 9 HD2 PRO 9 12.024 -6.331 4.548 61 H HIS 10 H HIS 10 9.490 -7.191 1.406 62 HA HIS 10 HA HIS 10 9.456 -7.742 -1.464 63 HB2 HIS 10 HB3 HIS 10 6.951 -7.069 0.074 64 HB3 HIS 10 HB2 HIS 10 7.206 -8.279 -1.182 65 HD2 HIS 10 HD2 HIS 10 8.143 -10.770 -0.278 66 HE1 HIS 10 HE1 HIS 10 8.209 -9.811 3.830 67 HE2 HIS 10 HE2 HIS 10 8.434 -11.686 2.141 68 H LEU 11 H LEU 11 9.863 -4.961 0.229 69 HA LEU 11 HA LEU 11 8.083 -3.176 -1.196 70 HB2 LEU 11 HB3 LEU 11 9.254 -2.792 1.059 71 HB3 LEU 11 HB2 LEU 11 10.683 -2.402 0.116 72 HG LEU 11 HG LEU 11 8.197 -1.035 -0.747 73 HD11 LEU 11 HD11 LEU 11 8.694 0.710 1.144 74 HD12 LEU 11 HD12 LEU 11 9.368 -0.680 1.992 75 HD13 LEU 11 HD13 LEU 11 7.679 -0.688 1.496 76 HD21 LEU 11 HD21 LEU 11 10.899 0.128 -0.055 77 HD22 LEU 11 HD22 LEU 11 9.695 0.764 -1.176 78 HD23 LEU 11 HD23 LEU 11 10.601 -0.691 -1.588 79 H ASP 12 H ASP 12 11.195 -4.574 -1.849 80 HA ASP 12 HA ASP 12 11.786 -2.648 -4.005 81 HB2 ASP 12 HB3 ASP 12 13.675 -3.486 -2.738 82 HB3 ASP 12 HB2 ASP 12 13.187 -5.155 -3.038 83 H SER 13 H SER 13 10.218 -5.696 -3.573 84 HA SER 13 HA SER 13 10.511 -6.561 -6.351 85 HB2 SER 13 HB3 SER 13 10.173 -8.107 -4.363 86 HB3 SER 13 HB2 SER 13 8.504 -7.548 -4.311 87 HG SER 13 HG SER 13 8.778 -8.124 -6.758 88 H ILE 14 H ILE 14 8.142 -4.749 -4.470 89 HA ILE 14 HA ILE 14 6.028 -4.907 -6.456 90 HB ILE 14 HB ILE 14 5.066 -2.995 -5.165 91 HG12 ILE 14 HG13 ILE 14 7.454 -3.313 -3.350 92 HG13 ILE 14 HG12 ILE 14 7.406 -2.082 -4.607 93 HG21 ILE 14 HG21 ILE 14 6.108 -5.073 -3.247 94 HG22 ILE 14 HG22 ILE 14 4.963 -5.513 -4.507 95 HG23 ILE 14 HG23 ILE 14 4.517 -4.321 -3.287 96 HD11 ILE 14 HD11 ILE 14 5.845 -0.825 -3.513 97 HD12 ILE 14 HD12 ILE 14 6.486 -1.655 -2.097 98 HD13 ILE 14 HD13 ILE 14 5.008 -2.234 -2.861 99 H GLY 15 H GLY 15 8.973 -3.154 -6.306 100 HA2 GLY 15 HA3 GLY 15 9.862 -1.505 -7.724 101 HA3 GLY 15 HA2 GLY 15 8.560 -1.904 -8.845 102 H GLU 16 H GLU 16 8.060 0.250 -9.385 103 HA GLU 16 HA GLU 16 6.721 1.812 -7.213 104 HB2 GLU 16 HB3 GLU 16 8.806 2.946 -7.504 105 HB3 GLU 16 HB2 GLU 16 8.731 2.789 -9.257 106 HG2 GLU 16 HG3 GLU 16 6.929 4.378 -9.406 107 HG3 GLU 16 HG2 GLU 16 6.704 4.385 -7.657 108 H VAL 17 H VAL 17 4.627 1.384 -7.918 109 HA VAL 17 HA VAL 17 3.844 1.349 -10.693 110 HB VAL 17 HB VAL 17 1.506 1.601 -9.707 111 HG11 VAL 17 HG11 VAL 17 1.582 -0.638 -8.625 112 HG12 VAL 17 HG12 VAL 17 3.342 -0.541 -8.590 113 HG13 VAL 17 HG13 VAL 17 2.492 -0.602 -10.134 114 HG21 VAL 17 HG21 VAL 17 1.243 1.610 -7.331 115 HG22 VAL 17 HG22 VAL 17 2.424 2.872 -7.679 116 HG23 VAL 17 HG23 VAL 17 2.960 1.307 -7.070 117 H THR 18 H THR 18 1.715 3.047 -11.006 118 HA THR 18 HA THR 18 3.010 5.587 -11.459 119 HB THR 18 HB THR 18 0.229 6.025 -11.531 120 HG1 THR 18 HG1 THR 18 0.707 3.593 -12.824 121 HG21 THR 18 HG21 THR 18 1.862 6.776 -13.204 122 HG22 THR 18 HG22 THR 18 0.553 5.883 -13.977 123 HG23 THR 18 HG23 THR 18 2.116 5.108 -13.720 124 H LYS 19 H LYS 19 3.160 7.311 -10.108 125 HA LYS 19 HA LYS 19 2.496 7.069 -7.338 126 HB2 LYS 19 HB3 LYS 19 2.621 9.847 -8.254 127 HB3 LYS 19 HB2 LYS 19 3.711 8.982 -7.168 128 HG2 LYS 19 HG3 LYS 19 4.452 7.820 -9.473 129 HG3 LYS 19 HG2 LYS 19 3.874 9.350 -10.128 130 HD2 LYS 19 HD3 LYS 19 6.065 9.943 -9.671 131 HD3 LYS 19 HD2 LYS 19 5.349 10.321 -8.103 132 HE2 LYS 19 HE3 LYS 19 5.909 7.942 -7.395 133 HE3 LYS 19 HE2 LYS 19 6.836 7.800 -8.887 134 HZ1 LYS 19 HZ1 LYS 19 7.983 8.587 -6.711 135 HZ2 LYS 19 HZ2 LYS 19 7.313 10.095 -7.116 136 HZ3 LYS 19 HZ3 LYS 19 8.379 9.321 -8.189 137 H GLU 20 H GLU 20 1.028 9.037 -9.911 138 HA GLU 20 HA GLU 20 -1.204 10.015 -8.614 139 HB2 GLU 20 HB3 GLU 20 -0.923 10.666 -10.853 140 HB3 GLU 20 HB2 GLU 20 -0.833 8.993 -11.408 141 HG2 GLU 20 HG3 GLU 20 -3.246 8.731 -10.655 142 HG3 GLU 20 HG2 GLU 20 -3.275 10.473 -10.391 143 H ASP 21 H ASP 21 -0.506 6.753 -9.684 144 HA ASP 21 HA ASP 21 -3.096 5.618 -9.427 145 HB2 ASP 21 HB3 ASP 21 -0.792 4.532 -10.146 146 HB3 ASP 21 HB2 ASP 21 -0.687 4.100 -8.444 147 H LEU 22 H LEU 22 -0.616 6.351 -7.035 148 HA LEU 22 HA LEU 22 -2.143 5.287 -4.803 149 HB2 LEU 22 HB3 LEU 22 -0.015 7.385 -4.488 150 HB3 LEU 22 HB2 LEU 22 -0.377 6.009 -3.445 151 HG LEU 22 HG LEU 22 0.892 5.898 -6.196 152 HD11 LEU 22 HD11 LEU 22 1.976 5.081 -3.487 153 HD12 LEU 22 HD12 LEU 22 2.339 6.620 -4.269 154 HD13 LEU 22 HD13 LEU 22 2.855 5.108 -5.016 155 HD21 LEU 22 HD21 LEU 22 0.051 3.696 -4.287 156 HD22 LEU 22 HD22 LEU 22 1.093 3.448 -5.689 157 HD23 LEU 22 HD23 LEU 22 -0.572 3.976 -5.913 158 H LEU 23 H LEU 23 -2.070 8.163 -6.631 159 HA LEU 23 HA LEU 23 -3.364 9.846 -4.622 160 HB2 LEU 23 HB3 LEU 23 -3.062 10.240 -7.620 161 HB3 LEU 23 HB2 LEU 23 -3.415 11.493 -6.453 162 HG LEU 23 HG LEU 23 -0.849 9.889 -6.707 163 HD11 LEU 23 HD11 LEU 23 -1.530 12.169 -7.994 164 HD12 LEU 23 HD12 LEU 23 0.115 11.857 -7.443 165 HD13 LEU 23 HD13 LEU 23 -0.958 12.876 -6.483 166 HD21 LEU 23 HD21 LEU 23 -0.164 11.443 -4.727 167 HD22 LEU 23 HD22 LEU 23 -1.123 10.011 -4.364 168 HD23 LEU 23 HD23 LEU 23 -1.897 11.595 -4.437 169 H LEU 24 H LEU 24 -4.469 8.388 -7.751 170 HA LEU 24 HA LEU 24 -7.212 9.062 -7.271 171 HB2 LEU 24 HB3 LEU 24 -7.798 7.395 -8.935 172 HB3 LEU 24 HB2 LEU 24 -6.397 8.309 -9.502 173 HG LEU 24 HG LEU 24 -5.136 6.267 -8.227 174 HD11 LEU 24 HD11 LEU 24 -7.442 5.240 -7.758 175 HD12 LEU 24 HD12 LEU 24 -6.284 4.188 -8.567 176 HD13 LEU 24 HD13 LEU 24 -7.562 4.969 -9.494 177 HD21 LEU 24 HD21 LEU 24 -4.631 6.905 -10.494 178 HD22 LEU 24 HD22 LEU 24 -6.222 6.395 -11.052 179 HD23 LEU 24 HD23 LEU 24 -5.044 5.190 -10.533 180 H LYS 25 H LYS 25 -5.264 6.171 -6.472 181 HA LYS 25 HA LYS 25 -7.264 4.570 -5.335 182 HB2 LYS 25 HB3 LYS 25 -4.390 5.079 -4.552 183 HB3 LYS 25 HB2 LYS 25 -5.395 3.976 -3.615 184 HG2 LYS 25 HG3 LYS 25 -5.714 2.518 -5.464 185 HG3 LYS 25 HG2 LYS 25 -5.147 3.724 -6.615 186 HD2 LYS 25 HD3 LYS 25 -2.889 3.458 -5.964 187 HD3 LYS 25 HD2 LYS 25 -3.325 2.670 -4.454 188 HE2 LYS 25 HE3 LYS 25 -2.571 0.914 -5.868 189 HE3 LYS 25 HE2 LYS 25 -4.329 0.801 -5.914 190 HZ1 LYS 25 HZ1 LYS 25 -3.697 2.581 -7.887 191 HZ2 LYS 25 HZ2 LYS 25 -4.139 0.954 -8.104 192 HZ3 LYS 25 HZ3 LYS 25 -2.498 1.389 -8.019 193 H SER 26 H SER 26 -5.531 7.326 -3.940 194 HA SER 26 HA SER 26 -6.944 7.351 -1.421 195 HB2 SER 26 HB3 SER 26 -4.699 8.535 -2.142 196 HB3 SER 26 HB2 SER 26 -5.760 9.802 -2.722 197 HG SER 26 HG SER 26 -6.594 9.074 -0.313 198 H LYS 27 H LYS 27 -8.276 7.533 -4.329 199 HA LYS 27 HA LYS 27 -9.591 9.950 -4.659 200 HB2 LYS 27 HB3 LYS 27 -11.580 8.470 -5.503 201 HB3 LYS 27 HB2 LYS 27 -10.048 8.453 -6.368 202 HG2 LYS 27 HG3 LYS 27 -9.586 6.294 -5.796 203 HG3 LYS 27 HG2 LYS 27 -10.265 6.468 -4.171 204 HD2 LYS 27 HD3 LYS 27 -11.655 4.934 -5.453 205 HD3 LYS 27 HD2 LYS 27 -12.556 6.430 -5.205 206 HE2 LYS 27 HE3 LYS 27 -11.893 7.215 -7.443 207 HE3 LYS 27 HE2 LYS 27 -10.965 5.737 -7.693 208 HZ1 LYS 27 HZ1 LYS 27 -12.798 4.706 -8.339 209 HZ2 LYS 27 HZ2 LYS 27 -13.673 6.153 -8.178 210 HZ3 LYS 27 HZ3 LYS 27 -13.573 5.069 -6.875 211 H GLY 28 H GLY 28 -10.795 7.251 -2.558 212 HA2 GLY 28 HA3 GLY 28 -11.582 8.479 -0.364 213 HA3 GLY 28 HA2 GLY 28 -12.749 9.200 -1.457 214 H THR 29 H THR 29 -12.041 6.020 -2.420 215 HA THR 29 HA THR 29 -13.943 4.767 -0.583 216 HB THR 29 HB THR 29 -15.149 4.265 -3.061 217 HG1 THR 29 HG1 THR 29 -15.332 6.164 -4.037 218 HG21 THR 29 HG21 THR 29 -16.191 4.565 -0.769 219 HG22 THR 29 HG22 THR 29 -17.064 5.340 -2.089 220 HG23 THR 29 HG23 THR 29 -16.046 6.304 -1.020 221 H CYS 30 H CYS 30 -14.021 2.491 -0.807 222 HA CYS 30 HA CYS 30 -11.700 1.189 -1.922 223 HB2 CYS 30 HB3 CYS 30 -12.924 0.219 -0.016 224 HB3 CYS 30 HB2 CYS 30 -14.361 0.028 -1.019 225 H GLN 31 H GLN 31 -11.551 0.010 -3.911 226 HA GLN 31 HA GLN 31 -13.448 0.891 -5.952 227 HB2 GLN 31 HB3 GLN 31 -12.038 -0.503 -7.487 228 HB3 GLN 31 HB2 GLN 31 -11.147 0.742 -6.621 229 HG2 GLN 31 HG3 GLN 31 -9.819 -1.241 -6.476 230 HG3 GLN 31 HG2 GLN 31 -10.575 -1.052 -4.900 231 HE21 GLN 31 HE21 GLN 31 -12.362 -2.187 -7.757 232 HE22 GLN 31 HE22 GLN 31 -12.598 -3.768 -7.188 233 H SER 32 H SER 32 -13.240 -1.823 -3.864 234 HA SER 32 HA SER 32 -15.133 -3.335 -5.627 235 HB2 SER 32 HB3 SER 32 -13.191 -4.245 -3.502 236 HB3 SER 32 HB2 SER 32 -14.512 -5.271 -4.055 237 HG SER 32 HG SER 32 -13.214 -5.752 -5.630 238 H CYS 33 H CYS 33 -14.901 -1.493 -2.769 239 HA CYS 33 HA CYS 33 -17.563 -2.546 -1.886 240 HB2 CYS 33 HB3 CYS 33 -15.439 -1.422 -0.040 241 HB3 CYS 33 HB2 CYS 33 -16.951 -2.186 0.416 242 H GLY 34 H GLY 34 -15.524 0.235 -2.530 243 HA2 GLY 34 HA3 GLY 34 -16.043 2.526 -2.525 244 HA3 GLY 34 HA2 GLY 34 -17.672 2.007 -2.965 245 H VAL 35 H VAL 35 -15.546 2.169 -0.112 246 HA VAL 35 HA VAL 35 -17.970 2.617 1.565 247 HB VAL 35 HB VAL 35 -16.386 1.958 3.460 248 HG11 VAL 35 HG11 VAL 35 -16.275 -0.491 2.092 249 HG12 VAL 35 HG12 VAL 35 -17.636 0.350 1.359 250 HG13 VAL 35 HG13 VAL 35 -17.603 0.082 3.098 251 HG21 VAL 35 HG21 VAL 35 -14.286 1.025 2.949 252 HG22 VAL 35 HG22 VAL 35 -14.352 2.434 1.895 253 HG23 VAL 35 HG23 VAL 35 -14.680 0.832 1.242 254 H THR 36 H THR 36 -14.663 3.975 1.023 255 HA THR 36 HA THR 36 -15.356 6.636 1.340 256 HB THR 36 HB THR 36 -16.242 6.470 3.508 257 HG1 THR 36 HG1 THR 36 -14.801 7.553 4.730 258 HG21 THR 36 HG21 THR 36 -14.551 5.139 5.205 259 HG22 THR 36 HG22 THR 36 -14.343 4.210 3.722 260 HG23 THR 36 HG23 THR 36 -15.949 4.399 4.427 261 H GLY 37 H GLY 37 -13.399 7.932 2.450 262 HA2 GLY 37 HA3 GLY 37 -10.963 6.871 1.177 263 HA3 GLY 37 HA2 GLY 37 -11.189 8.503 1.769 264 HA PRO 38 HA PRO 38 -9.244 7.962 5.616 265 HB2 PRO 38 HB3 PRO 38 -11.508 7.652 7.371 266 HB3 PRO 38 HB2 PRO 38 -10.462 9.062 7.161 267 HG2 PRO 38 HG3 PRO 38 -13.121 8.550 6.062 268 HG3 PRO 38 HG2 PRO 38 -12.236 10.076 6.197 269 HD2 PRO 38 HD3 PRO 38 -12.695 8.800 3.804 270 HD3 PRO 38 HD2 PRO 38 -11.311 9.876 4.088 271 H ASN 39 H ASN 39 -8.297 6.176 6.324 272 HA ASN 39 HA ASN 39 -8.013 4.005 7.144 273 HB2 ASN 39 HB3 ASN 39 -10.504 4.571 8.044 274 HB3 ASN 39 HB2 ASN 39 -10.885 3.259 6.926 275 HD21 ASN 39 HD21 ASN 39 -8.172 3.872 9.246 276 HD22 ASN 39 HD22 ASN 39 -8.275 2.347 9.985 277 H LEU 40 H LEU 40 -8.310 4.794 4.202 278 HA LEU 40 HA LEU 40 -9.325 2.286 3.026 279 HB2 LEU 40 HB3 LEU 40 -8.200 4.832 1.898 280 HB3 LEU 40 HB2 LEU 40 -8.198 3.394 0.897 281 HG LEU 40 HG LEU 40 -10.598 4.822 2.075 282 HD11 LEU 40 HD11 LEU 40 -9.508 5.595 -0.084 283 HD12 LEU 40 HD12 LEU 40 -11.204 5.138 -0.234 284 HD13 LEU 40 HD13 LEU 40 -9.948 4.034 -0.766 285 HD21 LEU 40 HD21 LEU 40 -11.357 2.632 2.319 286 HD22 LEU 40 HD22 LEU 40 -10.306 2.019 1.043 287 HD23 LEU 40 HD23 LEU 40 -11.766 2.911 0.629 288 H TRP 41 H TRP 41 -7.818 1.109 1.487 289 HA TRP 41 HA TRP 41 -4.951 1.239 2.138 290 HB2 TRP 41 HB3 TRP 41 -6.522 -1.287 2.745 291 HB3 TRP 41 HB2 TRP 41 -4.785 -1.062 2.940 292 HD1 TRP 41 HD TRP 41 -8.088 0.401 4.283 293 HE1 TRP 41 HE1 TRP 41 -7.708 1.170 6.713 294 HE3 TRP 41 HE3 TRP 41 -3.094 -0.565 4.748 295 HZ2 TRP 41 HZ2 TRP 41 -5.579 1.343 8.606 296 HZ3 TRP 41 HZ3 TRP 41 -1.923 -0.092 6.881 297 HH2 TRP 41 HH2 TRP 41 -3.155 0.857 8.806 298 H ALA 42 H ALA 42 -4.668 1.562 -0.103 299 HA ALA 42 HA ALA 42 -5.799 -0.390 -1.977 300 HB1 ALA 42 HB1 ALA 42 -3.925 1.946 -2.416 301 HB2 ALA 42 HB2 ALA 42 -5.677 1.985 -2.598 302 HB3 ALA 42 HB3 ALA 42 -4.701 1.005 -3.690 303 H CYS 43 H CYS 43 -4.650 -1.912 -3.119 304 HA CYS 43 HA CYS 43 -2.314 -3.052 -1.934 305 HB2 CYS 43 HB3 CYS 43 -4.039 -4.151 -3.504 306 HB3 CYS 43 HB2 CYS 43 -3.115 -3.427 -4.819 307 H LEU 44 H LEU 44 -0.118 -3.027 -2.741 308 HA LEU 44 HA LEU 44 0.463 -0.815 -4.661 309 HB2 LEU 44 HB3 LEU 44 0.781 -0.156 -2.227 310 HB3 LEU 44 HB2 LEU 44 2.081 -1.341 -2.164 311 HG LEU 44 HG LEU 44 2.937 -0.075 -4.327 312 HD11 LEU 44 HD11 LEU 44 1.194 1.989 -2.956 313 HD12 LEU 44 HD12 LEU 44 1.023 1.396 -4.606 314 HD13 LEU 44 HD13 LEU 44 2.424 2.367 -4.159 315 HD21 LEU 44 HD21 LEU 44 4.116 -0.187 -2.147 316 HD22 LEU 44 HD22 LEU 44 3.142 1.162 -1.565 317 HD23 LEU 44 HD23 LEU 44 4.277 1.402 -2.893 318 H GLN 45 H GLN 45 0.427 -3.522 -5.455 319 HA GLN 45 HA GLN 45 3.277 -4.346 -5.385 320 HB2 GLN 45 HB3 GLN 45 1.161 -5.858 -6.881 321 HB3 GLN 45 HB2 GLN 45 2.629 -6.460 -6.102 322 HG2 GLN 45 HG3 GLN 45 0.812 -5.168 -4.194 323 HG3 GLN 45 HG2 GLN 45 0.067 -6.534 -5.017 324 HE21 GLN 45 HE21 GLN 45 1.579 -5.957 -2.218 325 HE22 GLN 45 HE22 GLN 45 2.480 -7.382 -2.029 326 H VAL 46 H VAL 46 4.507 -4.569 -7.248 327 HA VAL 46 HA VAL 46 4.584 -2.617 -9.150 328 HB VAL 46 HB VAL 46 6.243 -4.503 -8.839 329 HG11 VAL 46 HG11 VAL 46 4.536 -5.956 -10.864 330 HG12 VAL 46 HG12 VAL 46 4.404 -6.268 -9.132 331 HG13 VAL 46 HG13 VAL 46 5.926 -6.569 -9.969 332 HG21 VAL 46 HG21 VAL 46 6.403 -2.858 -10.694 333 HG22 VAL 46 HG22 VAL 46 5.388 -3.903 -11.690 334 HG23 VAL 46 HG23 VAL 46 6.986 -4.449 -11.181 335 H ALA 47 H ALA 47 2.198 -5.186 -9.129 336 HA ALA 47 HA ALA 47 1.042 -3.964 -11.581 337 HB1 ALA 47 HB1 ALA 47 2.356 -5.780 -12.479 338 HB2 ALA 47 HB2 ALA 47 0.658 -6.251 -12.545 339 HB3 ALA 47 HB3 ALA 47 1.706 -6.902 -11.284 340 H CYS 48 H CYS 48 -0.090 -3.541 -9.133 341 HA CYS 48 HA CYS 48 -2.591 -5.118 -9.394 342 HB2 CYS 48 HB3 CYS 48 -1.022 -6.093 -7.587 343 HB3 CYS 48 HB2 CYS 48 -1.412 -4.644 -6.663 344 HA PRO 49 HA PRO 49 -3.419 -0.670 -8.564 345 HB2 PRO 49 HB3 PRO 49 -4.857 -0.122 -10.783 346 HB3 PRO 49 HB2 PRO 49 -3.083 -0.171 -10.811 347 HG2 PRO 49 HG3 PRO 49 -5.045 -2.167 -11.801 348 HG3 PRO 49 HG2 PRO 49 -3.451 -1.736 -12.438 349 HD2 PRO 49 HD3 PRO 49 -4.028 -3.976 -10.819 350 HD3 PRO 49 HD2 PRO 49 -2.409 -3.338 -11.175 351 H TYR 50 H TYR 50 -4.874 -1.037 -6.858 352 HA TYR 50 HA TYR 50 -7.707 -0.959 -7.464 353 HB2 TYR 50 HB3 TYR 50 -6.512 -3.499 -6.310 354 HB3 TYR 50 HB2 TYR 50 -8.219 -3.088 -6.162 355 HD1 TYR 50 HD1 TYR 50 -9.425 -2.425 -8.423 356 HD2 TYR 50 HD2 TYR 50 -5.802 -4.722 -8.174 357 HE1 TYR 50 HE1 TYR 50 -9.840 -3.328 -10.694 358 HE2 TYR 50 HE2 TYR 50 -6.220 -5.625 -10.445 359 HH TYR 50 HH TYR 50 -7.518 -4.847 -12.520 360 H VAL 51 H VAL 51 -8.691 0.084 -5.733 361 HA VAL 51 HA VAL 51 -7.014 0.428 -3.305 362 HB VAL 51 HB VAL 51 -7.542 2.539 -4.181 363 HG11 VAL 51 HG11 VAL 51 -9.237 1.812 -5.796 364 HG12 VAL 51 HG12 VAL 51 -9.842 3.177 -4.858 365 HG13 VAL 51 HG13 VAL 51 -10.391 1.542 -4.490 366 HG21 VAL 51 HG21 VAL 51 -8.277 1.951 -1.681 367 HG22 VAL 51 HG22 VAL 51 -9.867 2.369 -2.318 368 HG23 VAL 51 HG23 VAL 51 -8.557 3.545 -2.381 369 H GLY 52 H GLY 52 -7.482 -1.150 -1.864 370 HA2 GLY 52 HA3 GLY 52 -10.227 -2.151 -1.594 371 HA3 GLY 52 HA2 GLY 52 -8.818 -2.764 -0.743 372 H CYS 53 H CYS 53 -10.672 -2.639 0.963 373 HA CYS 53 HA CYS 53 -10.914 0.056 2.198 374 HB2 CYS 53 HB3 CYS 53 -12.298 -1.618 3.843 375 HB3 CYS 53 HB2 CYS 53 -13.039 -0.818 2.481 376 H GLY 54 H GLY 54 -10.971 -0.048 4.589 377 HA2 GLY 54 HA3 GLY 54 -8.777 -1.742 5.720 378 HA3 GLY 54 HA2 GLY 54 -9.106 -0.082 6.264 379 H GLU 55 H GLU 55 -9.382 -2.361 8.040 380 HA GLU 55 HA GLU 55 -11.690 -3.644 8.466 381 HB2 GLU 55 HB3 GLU 55 -11.690 -3.077 10.803 382 HB3 GLU 55 HB2 GLU 55 -10.011 -3.125 10.272 383 HG2 GLU 55 HG3 GLU 55 -10.236 -0.602 9.863 384 HG3 GLU 55 HG2 GLU 55 -11.723 -0.700 10.808 385 H SER 56 H SER 56 -11.435 -0.163 8.427 386 HA SER 56 HA SER 56 -13.772 0.923 9.197 387 HB2 SER 56 HB3 SER 56 -12.013 1.354 6.915 388 HB3 SER 56 HB2 SER 56 -13.666 1.786 6.526 389 HG SER 56 HG SER 56 -13.688 3.072 8.422 390 H PHE 57 H PHE 57 -13.422 -1.130 6.309 391 HA PHE 57 HA PHE 57 -16.397 -1.525 6.347 392 HB2 PHE 57 HB3 PHE 57 -15.665 -0.484 4.265 393 HB3 PHE 57 HB2 PHE 57 -14.505 -1.762 4.004 394 HD1 PHE 57 HD1 PHE 57 -18.148 -1.433 4.867 395 HD2 PHE 57 HD2 PHE 57 -15.158 -3.487 2.566 396 HE1 PHE 57 HE1 PHE 57 -19.909 -2.831 3.824 397 HE2 PHE 57 HE2 PHE 57 -16.921 -4.883 1.523 398 HZ PHE 57 HZ PHE 57 -19.295 -4.554 2.151 399 H ALA 58 H ALA 58 -14.207 -3.382 4.432 400 HA ALA 58 HA ALA 58 -14.611 -5.746 6.237 401 HB1 ALA 58 HB1 ALA 58 -15.919 -5.989 4.168 402 HB2 ALA 58 HB2 ALA 58 -14.582 -7.139 4.178 403 HB3 ALA 58 HB3 ALA 58 -14.477 -5.672 3.204 404 H ASP 59 H ASP 59 -12.433 -3.575 5.153 405 HA ASP 59 HA ASP 59 -10.108 -3.525 4.999 406 HB2 ASP 59 HB3 ASP 59 -10.177 -4.328 7.274 407 HB3 ASP 59 HB2 ASP 59 -10.459 -5.975 6.745 408 H HIS 60 H HIS 60 -10.803 -4.273 2.604 409 HA HIS 60 HA HIS 60 -10.360 -6.904 1.696 410 HB2 HIS 60 HB3 HIS 60 -10.166 -4.223 0.504 411 HB3 HIS 60 HB2 HIS 60 -9.081 -5.377 -0.243 412 HD2 HIS 60 HD2 HIS 60 -10.656 -7.941 -0.841 413 HE1 HIS 60 HE1 HIS 60 -14.050 -5.657 -1.862 414 HE2 HIS 60 HE2 HIS 60 -12.971 -7.940 -2.032 415 H SER 61 H SER 61 -8.238 -4.543 3.007 416 HA SER 61 HA SER 61 -5.688 -5.205 2.143 417 HB2 SER 61 HB3 SER 61 -6.593 -3.627 4.076 418 HB3 SER 61 HB2 SER 61 -6.137 -4.979 5.101 419 HG SER 61 HG SER 61 -4.569 -3.131 4.114 420 H THR 62 H THR 62 -7.763 -7.123 4.278 421 HA THR 62 HA THR 62 -5.584 -9.029 4.778 422 HB THR 62 HB THR 62 -7.568 -10.286 5.890 423 HG1 THR 62 HG1 THR 62 -8.901 -8.150 6.525 424 HG21 THR 62 HG21 THR 62 -6.257 -7.741 6.811 425 HG22 THR 62 HG22 THR 62 -5.955 -9.396 7.339 426 HG23 THR 62 HG23 THR 62 -7.423 -8.563 7.847 427 H ILE 63 H ILE 63 -8.951 -9.471 3.614 428 HA ILE 63 HA ILE 63 -8.464 -11.999 2.512 429 HB ILE 63 HB ILE 63 -10.421 -11.493 0.977 430 HG12 ILE 63 HG13 ILE 63 -10.583 -8.979 2.639 431 HG13 ILE 63 HG12 ILE 63 -9.862 -9.017 1.031 432 HG21 ILE 63 HG21 ILE 63 -10.852 -12.598 3.064 433 HG22 ILE 63 HG22 ILE 63 -12.016 -11.276 2.959 434 HG23 ILE 63 HG23 ILE 63 -10.585 -11.113 3.978 435 HD11 ILE 63 HD11 ILE 63 -11.921 -9.703 0.019 436 HD12 ILE 63 HD12 ILE 63 -12.333 -8.380 1.110 437 HD13 ILE 63 HD13 ILE 63 -12.649 -10.048 1.587 438 H HIS 64 H HIS 64 -7.896 -8.820 1.198 439 HA HIS 64 HA HIS 64 -7.335 -9.679 -1.505 440 HB2 HIS 64 HB3 HIS 64 -7.887 -7.315 -0.938 441 HB3 HIS 64 HB2 HIS 64 -6.346 -7.189 -0.083 442 HD1 HIS 64 HD1 HIS 64 -7.816 -6.951 -3.436 443 HD2 HIS 64 HD2 HIS 64 -4.027 -7.637 -1.840 444 HE1 HIS 64 HE1 HIS 64 -6.169 -6.627 -5.334 445 H ALA 65 H ALA 65 -5.293 -9.041 1.362 446 HA ALA 65 HA ALA 65 -2.839 -9.734 -0.097 447 HB1 ALA 65 HB1 ALA 65 -2.726 -8.217 1.844 448 HB2 ALA 65 HB2 ALA 65 -1.796 -9.679 2.171 449 HB3 ALA 65 HB3 ALA 65 -3.398 -9.474 2.882 450 H GLN 66 H GLN 66 -5.373 -11.259 1.480 451 HA GLN 66 HA GLN 66 -4.073 -13.777 2.169 452 HB2 GLN 66 HB3 GLN 66 -5.899 -12.961 3.498 453 HB3 GLN 66 HB2 GLN 66 -6.870 -12.698 2.077 454 HG2 GLN 66 HG3 GLN 66 -7.834 -14.663 2.590 455 HG3 GLN 66 HG2 GLN 66 -6.400 -15.381 1.856 456 HE21 GLN 66 HE21 GLN 66 -8.249 -15.700 4.545 457 HE22 GLN 66 HE22 GLN 66 -7.072 -16.176 5.672 458 H ALA 67 H ALA 67 -6.159 -12.536 -0.420 459 HA ALA 67 HA ALA 67 -6.362 -15.189 -1.669 460 HB1 ALA 67 HB1 ALA 67 -7.609 -12.507 -2.104 461 HB2 ALA 67 HB2 ALA 67 -8.375 -14.088 -1.961 462 HB3 ALA 67 HB3 ALA 67 -7.566 -13.633 -3.462 463 H LYS 68 H LYS 68 -4.982 -12.007 -2.426 464 HA LYS 68 HA LYS 68 -3.620 -13.164 -4.795 465 HB2 LYS 68 HB3 LYS 68 -3.652 -10.312 -3.769 466 HB3 LYS 68 HB2 LYS 68 -3.066 -10.860 -5.336 467 HG2 LYS 68 HG3 LYS 68 -5.194 -10.303 -6.006 468 HG3 LYS 68 HG2 LYS 68 -5.551 -11.925 -5.412 469 HD2 LYS 68 HD3 LYS 68 -6.259 -11.043 -3.265 470 HD3 LYS 68 HD2 LYS 68 -5.759 -9.421 -3.725 471 HE2 LYS 68 HE3 LYS 68 -8.187 -9.666 -3.995 472 HE3 LYS 68 HE2 LYS 68 -7.416 -9.438 -5.565 473 HZ1 LYS 68 HZ1 LYS 68 -7.351 -12.132 -5.181 474 HZ2 LYS 68 HZ2 LYS 68 -8.456 -11.293 -6.161 475 HZ3 LYS 68 HZ3 LYS 68 -8.867 -11.690 -4.561 476 H LYS 69 H LYS 69 -3.034 -13.075 -1.608 477 HA LYS 69 HA LYS 69 -1.114 -13.235 -0.298 478 HB2 LYS 69 HB3 LYS 69 -0.301 -14.243 -2.993 479 HB3 LYS 69 HB2 LYS 69 0.970 -13.962 -1.804 480 HG2 LYS 69 HG3 LYS 69 -0.013 -16.305 -1.805 481 HG3 LYS 69 HG2 LYS 69 -0.024 -15.486 -0.245 482 HD2 LYS 69 HD3 LYS 69 -2.329 -15.176 -0.266 483 HD3 LYS 69 HD2 LYS 69 -2.423 -15.192 -2.026 484 HE2 LYS 69 HE3 LYS 69 -3.390 -17.251 -1.082 485 HE3 LYS 69 HE2 LYS 69 -1.949 -17.616 -2.029 486 HZ1 LYS 69 HZ1 LYS 69 -1.361 -18.728 -0.187 487 HZ2 LYS 69 HZ2 LYS 69 -2.396 -17.838 0.826 488 HZ3 LYS 69 HZ3 LYS 69 -0.886 -17.201 0.377 489 H HIS 70 H HIS 70 -1.706 -10.658 -1.987 490 HA HIS 70 HA HIS 70 0.966 -9.470 -2.283 491 HB2 HIS 70 HB3 HIS 70 -1.818 -8.251 -2.305 492 HB3 HIS 70 HB2 HIS 70 -0.343 -7.343 -2.609 493 HD2 HIS 70 HD2 HIS 70 0.984 -9.959 -4.462 494 HE1 HIS 70 HE1 HIS 70 -2.182 -8.918 -7.051 495 HE2 HIS 70 HE2 HIS 70 0.019 -10.163 -6.872 496 H ASN 71 H ASN 71 2.148 -8.840 -0.515 497 HA ASN 71 HA ASN 71 0.773 -8.584 2.082 498 HB2 ASN 71 HB3 ASN 71 3.231 -8.222 2.828 499 HB3 ASN 71 HB2 ASN 71 2.734 -9.820 2.275 500 HD21 ASN 71 HD21 ASN 71 3.045 -10.125 -0.241 501 HD22 ASN 71 HD22 ASN 71 4.481 -9.493 -0.890 502 H LEU 72 H LEU 72 2.687 -6.523 -0.097 503 HA LEU 72 HA LEU 72 2.528 -4.277 1.757 504 HB2 LEU 72 HB3 LEU 72 3.550 -4.527 -1.067 505 HB3 LEU 72 HB2 LEU 72 3.631 -3.036 -0.127 506 HG LEU 72 HG LEU 72 4.722 -5.655 0.909 507 HD11 LEU 72 HD11 LEU 72 6.016 -5.341 -1.026 508 HD12 LEU 72 HD12 LEU 72 6.967 -4.545 0.227 509 HD13 LEU 72 HD13 LEU 72 5.980 -3.587 -0.878 510 HD21 LEU 72 HD21 LEU 72 4.533 -4.128 2.697 511 HD22 LEU 72 HD22 LEU 72 4.923 -2.741 1.682 512 HD23 LEU 72 HD23 LEU 72 6.188 -3.874 2.151 513 H THR 73 H THR 73 1.203 -2.628 1.763 514 HA THR 73 HA THR 73 -0.472 -1.922 -0.550 515 HB THR 73 HB THR 73 -2.188 -3.225 0.317 516 HG1 THR 73 HG1 THR 73 -3.270 -1.465 0.709 517 HG21 THR 73 HG21 THR 73 -2.331 -3.530 2.914 518 HG22 THR 73 HG22 THR 73 -0.656 -2.982 2.888 519 HG23 THR 73 HG23 THR 73 -1.121 -4.435 2.006 520 H VAL 74 H VAL 74 -1.453 0.309 -0.097 521 HA VAL 74 HA VAL 74 0.121 1.668 2.066 522 HB VAL 74 HB VAL 74 1.070 2.407 0.038 523 HG11 VAL 74 HG11 VAL 74 -1.789 2.700 -0.945 524 HG12 VAL 74 HG12 VAL 74 -0.593 1.538 -1.514 525 HG13 VAL 74 HG13 VAL 74 -0.375 3.258 -1.837 526 HG21 VAL 74 HG21 VAL 74 0.241 4.201 1.698 527 HG22 VAL 74 HG22 VAL 74 -1.053 4.507 0.538 528 HG23 VAL 74 HG23 VAL 74 0.630 4.744 0.066 529 H ASN 75 H ASN 75 -1.009 2.641 3.566 530 HA ASN 75 HA ASN 75 -3.915 2.847 3.377 531 HB2 ASN 75 HB3 ASN 75 -2.552 2.263 5.471 532 HB3 ASN 75 HB2 ASN 75 -2.152 3.977 5.557 533 HD21 ASN 75 HD21 ASN 75 -3.555 3.178 7.713 534 HD22 ASN 75 HD22 ASN 75 -5.193 3.617 7.611 535 H LEU 76 H LEU 76 -4.401 4.438 1.840 536 HA LEU 76 HA LEU 76 -3.064 6.962 1.648 537 HB2 LEU 76 HB3 LEU 76 -5.947 6.451 0.898 538 HB3 LEU 76 HB2 LEU 76 -4.807 7.557 0.138 539 HG LEU 76 HG LEU 76 -3.754 4.839 0.148 540 HD11 LEU 76 HD11 LEU 76 -5.321 3.750 -1.286 541 HD12 LEU 76 HD12 LEU 76 -6.300 5.204 -1.430 542 HD13 LEU 76 HD13 LEU 76 -6.228 4.339 0.103 543 HD21 LEU 76 HD21 LEU 76 -4.553 6.335 -2.320 544 HD22 LEU 76 HD22 LEU 76 -3.130 5.346 -2.029 545 HD23 LEU 76 HD23 LEU 76 -3.238 6.956 -1.325 546 H THR 77 H THR 77 -4.602 5.776 4.207 547 HA THR 77 HA THR 77 -6.110 8.196 4.978 548 HB THR 77 HB THR 77 -5.518 5.679 6.561 549 HG1 THR 77 HG1 THR 77 -6.721 5.226 4.721 550 HG21 THR 77 HG21 THR 77 -7.532 6.473 7.856 551 HG22 THR 77 HG22 THR 77 -7.431 7.988 6.958 552 HG23 THR 77 HG23 THR 77 -6.110 7.502 8.015 553 H THR 78 H THR 78 -3.180 6.410 5.801 554 HA THR 78 HA THR 78 -2.323 8.705 7.511 555 HB THR 78 HB THR 78 -0.643 6.824 8.337 556 HG1 THR 78 HG1 THR 78 -1.443 4.809 8.091 557 HG21 THR 78 HG21 THR 78 -2.223 7.880 9.824 558 HG22 THR 78 HG22 THR 78 -2.384 6.135 10.026 559 HG23 THR 78 HG23 THR 78 -3.573 7.027 9.075 560 H PHE 79 H PHE 79 -1.602 6.989 4.624 561 HA PHE 79 HA PHE 79 0.016 7.509 2.996 562 HB2 PHE 79 HB3 PHE 79 -0.131 9.846 4.275 563 HB3 PHE 79 HB2 PHE 79 1.478 9.378 4.822 564 HD1 PHE 79 HD1 PHE 79 3.356 9.485 3.367 565 HD2 PHE 79 HD2 PHE 79 -0.616 9.901 1.785 566 HE1 PHE 79 HE1 PHE 79 4.301 10.159 1.176 567 HE2 PHE 79 HE2 PHE 79 0.329 10.577 -0.407 568 HZ PHE 79 HZ PHE 79 2.787 10.705 -0.712 569 H ARG 80 H ARG 80 0.347 5.279 4.535 570 HA ARG 80 HA ARG 80 3.299 5.034 4.570 571 HB2 ARG 80 HB3 ARG 80 2.604 3.446 6.709 572 HB3 ARG 80 HB2 ARG 80 3.329 5.042 6.849 573 HG2 ARG 80 HG3 ARG 80 1.311 6.055 7.403 574 HG3 ARG 80 HG2 ARG 80 0.345 4.840 6.565 575 HD2 ARG 80 HD3 ARG 80 0.476 3.323 8.318 576 HD3 ARG 80 HD2 ARG 80 1.984 3.995 8.934 577 HE ARG 80 HE ARG 80 -0.727 4.982 9.531 578 HH11 ARG 80 HH11 ARG 80 -0.807 6.552 11.151 579 HH12 ARG 80 HH12 ARG 80 0.661 7.294 11.693 580 HH21 ARG 80 HH21 ARG 80 2.687 5.485 9.540 581 HH22 ARG 80 HH22 ARG 80 2.636 6.690 10.782 582 H LEU 81 H LEU 81 3.638 2.469 5.027 583 HA LEU 81 HA LEU 81 1.699 1.117 3.206 584 HB2 LEU 81 HB3 LEU 81 4.636 1.050 3.456 585 HB3 LEU 81 HB2 LEU 81 3.878 -0.496 3.123 586 HG LEU 81 HG LEU 81 3.015 1.880 1.534 587 HD11 LEU 81 HD11 LEU 81 5.680 0.486 1.261 588 HD12 LEU 81 HD12 LEU 81 5.364 2.217 1.377 589 HD13 LEU 81 HD13 LEU 81 4.924 1.337 -0.085 590 HD21 LEU 81 HD21 LEU 81 2.642 -0.941 1.435 591 HD22 LEU 81 HD22 LEU 81 3.623 -0.520 0.037 592 HD23 LEU 81 HD23 LEU 81 2.062 0.258 0.282 593 H TRP 82 H TRP 82 1.910 -1.376 3.573 594 HA TRP 82 HA TRP 82 2.232 -2.154 6.372 595 HB2 TRP 82 HB3 TRP 82 -0.109 -1.136 6.117 596 HB3 TRP 82 HB2 TRP 82 -0.481 -2.520 5.099 597 HD1 TRP 82 HD TRP 82 1.374 -2.201 8.493 598 HE1 TRP 82 HE1 TRP 82 0.380 -3.945 10.107 599 HE3 TRP 82 HE3 TRP 82 -2.214 -4.244 5.486 600 HZ2 TRP 82 HZ2 TRP 82 -1.668 -5.941 10.124 601 HZ3 TRP 82 HZ3 TRP 82 -3.671 -6.062 6.328 602 HH2 TRP 82 HH2 TRP 82 -3.404 -6.913 8.641 603 H CYS 83 H CYS 83 3.439 -3.945 6.011 604 HA CYS 83 HA CYS 83 2.933 -5.583 3.612 605 HB2 CYS 83 HB3 CYS 83 5.238 -4.823 4.806 606 HB3 CYS 83 HB2 CYS 83 4.988 -6.376 5.593 607 H TYR 84 H TYR 84 1.326 -7.127 3.874 608 HA TYR 84 HA TYR 84 0.714 -8.221 6.502 609 HB2 TYR 84 HB3 TYR 84 -0.837 -8.115 4.373 610 HB3 TYR 84 HB2 TYR 84 -0.005 -9.600 3.906 611 HD1 TYR 84 HD1 TYR 84 -0.552 -11.680 4.904 612 HD2 TYR 84 HD2 TYR 84 -1.979 -8.025 6.647 613 HE1 TYR 84 HE1 TYR 84 -1.999 -12.979 6.443 614 HE2 TYR 84 HE2 TYR 84 -3.425 -9.323 8.187 615 HH TYR 84 HH TYR 84 -3.964 -12.706 7.785 616 H ALA 85 H ALA 85 3.341 -8.459 4.650 617 HA ALA 85 HA ALA 85 3.865 -11.329 5.187 618 HB1 ALA 85 HB1 ALA 85 4.561 -10.883 2.980 619 HB2 ALA 85 HB2 ALA 85 6.055 -10.716 3.896 620 HB3 ALA 85 HB3 ALA 85 5.166 -9.280 3.399 621 H CYS 86 H CYS 86 5.873 -8.345 5.265 622 HA CYS 86 HA CYS 86 7.416 -9.234 7.519 623 HB2 CYS 86 HB3 CYS 86 6.877 -6.371 6.643 624 HB3 CYS 86 HB2 CYS 86 8.239 -6.940 7.604 625 H GLU 87 H GLU 87 4.283 -8.184 7.032 626 HA GLU 87 HA GLU 87 2.546 -7.485 8.425 627 HB2 GLU 87 HB3 GLU 87 3.934 -9.716 9.538 628 HB3 GLU 87 HB2 GLU 87 3.414 -8.684 10.859 629 HG2 GLU 87 HG3 GLU 87 1.566 -9.523 8.621 630 HG3 GLU 87 HG2 GLU 87 1.725 -10.433 10.121 631 H LYS 88 H LYS 88 3.864 -5.348 8.147 632 HA LYS 88 HA LYS 88 3.864 -4.056 10.769 633 HB2 LYS 88 HB3 LYS 88 6.238 -3.121 10.333 634 HB3 LYS 88 HB2 LYS 88 6.120 -4.774 10.941 635 HG2 LYS 88 HG3 LYS 88 6.460 -5.694 8.761 636 HG3 LYS 88 HG2 LYS 88 6.271 -4.120 7.993 637 HD2 LYS 88 HD3 LYS 88 8.642 -4.651 8.093 638 HD3 LYS 88 HD2 LYS 88 8.310 -3.336 9.220 639 HE2 LYS 88 HE3 LYS 88 8.108 -6.115 10.293 640 HE3 LYS 88 HE2 LYS 88 9.723 -5.505 9.944 641 HZ1 LYS 88 HZ1 LYS 88 8.910 -3.435 11.211 642 HZ2 LYS 88 HZ2 LYS 88 9.370 -4.810 12.095 643 HZ3 LYS 88 HZ3 LYS 88 7.725 -4.470 11.842 644 H GLU 89 H GLU 89 4.839 -1.640 10.250 645 HA GLU 89 HA GLU 89 3.412 -0.769 7.766 646 HB2 GLU 89 HB3 GLU 89 3.171 0.068 10.462 647 HB3 GLU 89 HB2 GLU 89 3.989 1.384 9.625 648 HG2 GLU 89 HG3 GLU 89 2.198 1.758 8.177 649 HG3 GLU 89 HG2 GLU 89 1.565 0.124 8.362 650 H VAL 90 H VAL 90 4.518 0.644 6.314 651 HA VAL 90 HA VAL 90 7.222 1.562 7.112 652 HB VAL 90 HB VAL 90 7.831 0.490 4.650 653 HG11 VAL 90 HG11 VAL 90 9.042 -1.233 5.915 654 HG12 VAL 90 HG12 VAL 90 8.057 -0.899 7.338 655 HG13 VAL 90 HG13 VAL 90 9.168 0.326 6.727 656 HG21 VAL 90 HG21 VAL 90 5.509 -0.631 4.791 657 HG22 VAL 90 HG22 VAL 90 6.209 -1.639 6.056 658 HG23 VAL 90 HG23 VAL 90 6.883 -1.674 4.426 659 H PHE 91 H PHE 91 7.967 3.286 5.838 660 HA PHE 91 HA PHE 91 5.914 4.537 4.076 661 HB2 PHE 91 HB3 PHE 91 8.410 5.703 5.345 662 HB3 PHE 91 HB2 PHE 91 7.252 6.594 4.366 663 HD1 PHE 91 HD1 PHE 91 7.529 4.529 7.471 664 HD2 PHE 91 HD2 PHE 91 5.329 7.551 5.354 665 HE1 PHE 91 HE1 PHE 91 6.137 4.927 9.485 666 HE2 PHE 91 HE2 PHE 91 3.937 7.948 7.368 667 HZ PHE 91 HZ PHE 91 4.342 6.637 9.433 668 H LEU 92 H LEU 92 6.931 5.791 2.185 669 HA LEU 92 HA LEU 92 8.280 4.095 0.426 670 HB2 LEU 92 HB3 LEU 92 8.541 7.121 0.575 671 HB3 LEU 92 HB2 LEU 92 8.908 6.121 -0.829 672 HG LEU 92 HG LEU 92 6.327 5.326 -0.184 673 HD11 LEU 92 HD11 LEU 92 6.107 7.159 1.440 674 HD12 LEU 92 HD12 LEU 92 5.049 7.434 0.055 675 HD13 LEU 92 HD13 LEU 92 6.564 8.326 0.199 676 HD21 LEU 92 HD21 LEU 92 7.133 7.545 -2.092 677 HD22 LEU 92 HD22 LEU 92 5.678 6.557 -2.199 678 HD23 LEU 92 HD23 LEU 92 7.261 5.821 -2.441 679 H GLU 93 H GLU 93 10.470 3.768 -0.001 680 HA GLU 93 HA GLU 93 12.276 3.560 2.097 681 HB2 GLU 93 HB3 GLU 93 14.033 3.806 0.114 682 HB3 GLU 93 HB2 GLU 93 12.968 2.405 0.216 683 HG2 GLU 93 HG3 GLU 93 11.892 4.803 -1.205 684 HG3 GLU 93 HG2 GLU 93 13.161 3.889 -2.026 685 H GLN 94 H GLN 94 11.069 6.461 1.097 686 HA GLN 94 HA GLN 94 11.716 8.673 1.500 687 HB2 GLN 94 HB3 GLN 94 14.036 7.582 3.092 688 HB3 GLN 94 HB2 GLN 94 13.144 9.082 3.339 689 HG2 GLN 94 HG3 GLN 94 11.088 7.613 3.771 690 HG3 GLN 94 HG2 GLN 94 12.215 6.260 3.880 691 HE21 GLN 94 HE21 GLN 94 10.542 8.076 5.926 692 HE22 GLN 94 HE22 GLN 94 11.669 8.311 7.174 693 H ARG 95 H ARG 95 14.099 6.398 0.327 694 HA ARG 95 HA ARG 95 16.273 7.991 -0.332 695 HB2 ARG 95 HB3 ARG 95 16.828 6.380 -1.930 696 HB3 ARG 95 HB2 ARG 95 15.707 5.489 -0.909 697 HG2 ARG 95 HG3 ARG 95 14.914 5.019 -3.061 698 HG3 ARG 95 HG2 ARG 95 13.870 6.337 -2.540 699 HD2 ARG 95 HD3 ARG 95 14.549 7.578 -4.301 700 HD3 ARG 95 HD2 ARG 95 16.223 7.465 -3.761 701 HE ARG 95 HE ARG 95 15.364 5.046 -5.113 702 HH11 ARG 95 HH11 ARG 95 16.264 4.679 -7.154 703 HH12 ARG 95 HH12 ARG 95 17.037 5.982 -7.992 704 HH21 ARG 95 HH21 ARG 95 16.444 8.300 -5.482 705 HH22 ARG 95 HH22 ARG 95 17.138 8.033 -7.046 706 H LEU 96 H LEU 96 13.101 7.936 -1.830 707 HA LEU 96 HA LEU 96 13.920 9.891 -3.887 708 HB2 LEU 96 HB3 LEU 96 11.441 9.790 -4.483 709 HB3 LEU 96 HB2 LEU 96 12.339 8.291 -4.665 710 HG LEU 96 HG LEU 96 11.409 8.286 -1.986 711 HD11 LEU 96 HD11 LEU 96 9.812 10.100 -2.953 712 HD12 LEU 96 HD12 LEU 96 9.103 8.756 -2.061 713 HD13 LEU 96 HD13 LEU 96 9.065 8.760 -3.824 714 HD21 LEU 96 HD21 LEU 96 10.507 6.854 -4.501 715 HD22 LEU 96 HD22 LEU 96 9.952 6.418 -2.884 716 HD23 LEU 96 HD23 LEU 96 11.661 6.280 -3.297 717 H ALA 97 H ALA 97 11.175 9.891 -1.594 718 HA ALA 97 HA ALA 97 10.678 12.633 -1.585 719 HB1 ALA 97 HB1 ALA 97 9.245 11.063 -0.380 720 HB2 ALA 97 HB2 ALA 97 9.800 12.316 0.731 721 HB3 ALA 97 HB3 ALA 97 10.542 10.716 0.763 722 H ALA 98 H ALA 98 11.943 14.349 -1.068 723 HA ALA 98 HA ALA 98 13.694 14.286 1.263 724 HB1 ALA 98 HB1 ALA 98 15.038 14.748 -1.403 725 HB2 ALA 98 HB2 ALA 98 14.980 13.149 -0.661 726 HB3 ALA 98 HB3 ALA 98 15.794 14.476 0.166 727 HA PRO 99 HA PRO 99 12.669 18.593 0.967 728 HB2 PRO 99 HB3 PRO 99 14.659 19.681 2.509 729 HB3 PRO 99 HB2 PRO 99 13.280 18.793 3.184 730 HG2 PRO 99 HG3 PRO 99 16.067 17.861 2.685 731 HG3 PRO 99 HG2 PRO 99 14.996 17.533 4.059 732 HD2 PRO 99 HD3 PRO 99 15.397 15.731 2.045 733 HD3 PRO 99 HD2 PRO 99 13.873 15.833 2.954 Start of MODEL 19 1 H1 MET 1 H1 MET 1 20.670 -2.835 -4.874 2 HA MET 1 HA MET 1 18.579 -3.710 -4.152 3 HB2 MET 1 HB3 MET 1 20.875 -4.604 -3.284 4 HB3 MET 1 HB2 MET 1 20.382 -3.901 -1.744 5 HG2 MET 1 HG3 MET 1 18.158 -5.192 -2.109 6 HG3 MET 1 HG2 MET 1 19.066 -6.120 -3.303 7 HE1 MET 1 HE1 MET 1 22.091 -5.818 -1.670 8 HE2 MET 1 HE2 MET 1 21.407 -6.895 -2.884 9 HE3 MET 1 HE3 MET 1 22.012 -7.559 -1.369 10 H GLY 2 H GLY 2 18.601 -3.817 -1.022 11 HA2 GLY 2 HA3 GLY 2 16.623 -1.639 -0.732 12 HA3 GLY 2 HA2 GLY 2 16.913 -2.937 0.429 13 H ASP 3 H ASP 3 19.081 -2.829 1.574 14 HA ASP 3 HA ASP 3 20.460 -1.620 3.042 15 HB2 ASP 3 HB3 ASP 3 20.612 0.301 0.702 16 HB3 ASP 3 HB2 ASP 3 21.794 0.120 1.998 17 H SER 4 H SER 4 18.679 -1.069 4.470 18 HA SER 4 HA SER 4 18.463 1.581 5.251 19 HB2 SER 4 HB3 SER 4 15.969 1.878 4.264 20 HB3 SER 4 HB2 SER 4 17.393 2.476 3.421 21 HG SER 4 HG SER 4 17.073 -0.106 2.852 22 H ARG 5 H ARG 5 15.916 1.863 6.188 23 HA ARG 5 HA ARG 5 15.386 -0.705 7.643 24 HB2 ARG 5 HB3 ARG 5 14.439 1.172 9.366 25 HB3 ARG 5 HB2 ARG 5 16.084 0.544 9.441 26 HG2 ARG 5 HG3 ARG 5 16.997 2.430 8.394 27 HG3 ARG 5 HG2 ARG 5 15.459 2.894 7.666 28 HD2 ARG 5 HD3 ARG 5 16.370 4.203 9.770 29 HD3 ARG 5 HD2 ARG 5 14.651 3.830 9.641 30 HE ARG 5 HE ARG 5 15.750 1.640 10.970 31 HH11 ARG 5 HH11 ARG 5 15.837 1.543 13.226 32 HH12 ARG 5 HH12 ARG 5 15.821 3.011 14.144 33 HH21 ARG 5 HH21 ARG 5 15.647 5.064 11.357 34 HH22 ARG 5 HH22 ARG 5 15.713 5.005 13.086 35 H ASP 6 H ASP 6 13.846 2.463 6.988 36 HA ASP 6 HA ASP 6 11.169 1.668 7.229 37 HB2 ASP 6 HB3 ASP 6 12.529 3.941 6.322 38 HB3 ASP 6 HB2 ASP 6 11.574 3.438 4.930 39 H LEU 7 H LEU 7 13.449 1.076 4.631 40 HA LEU 7 HA LEU 7 11.551 0.223 2.667 41 HB2 LEU 7 HB3 LEU 7 13.387 -0.143 1.360 42 HB3 LEU 7 HB2 LEU 7 14.227 0.712 2.643 43 HG LEU 7 HG LEU 7 15.499 -1.249 2.183 44 HD11 LEU 7 HD11 LEU 7 15.839 -1.623 4.354 45 HD12 LEU 7 HD12 LEU 7 14.376 -2.594 4.456 46 HD13 LEU 7 HD13 LEU 7 14.301 -0.853 4.726 47 HD21 LEU 7 HD21 LEU 7 13.081 -2.386 1.386 48 HD22 LEU 7 HD22 LEU 7 13.544 -3.330 2.803 49 HD23 LEU 7 HD23 LEU 7 14.646 -3.192 1.437 50 H CYS 8 H CYS 8 11.115 -2.011 1.990 51 HA CYS 8 HA CYS 8 11.377 -3.995 4.216 52 HB2 CYS 8 HB3 CYS 8 9.122 -4.097 4.372 53 HB3 CYS 8 HB2 CYS 8 8.957 -2.889 3.105 54 HA PRO 9 HA PRO 9 13.150 -6.867 1.392 55 HB2 PRO 9 HB3 PRO 9 11.530 -9.109 1.765 56 HB3 PRO 9 HB2 PRO 9 12.852 -8.633 2.838 57 HG2 PRO 9 HG3 PRO 9 9.948 -8.062 3.083 58 HG3 PRO 9 HG2 PRO 9 11.062 -8.620 4.335 59 HD2 PRO 9 HD3 PRO 9 10.383 -6.058 4.264 60 HD3 PRO 9 HD2 PRO 9 12.095 -6.483 4.511 61 H HIS 10 H HIS 10 9.632 -7.401 1.327 62 HA HIS 10 HA HIS 10 9.611 -7.970 -1.527 63 HB2 HIS 10 HB3 HIS 10 7.106 -7.204 -0.036 64 HB3 HIS 10 HB2 HIS 10 7.348 -8.451 -1.259 65 HD2 HIS 10 HD2 HIS 10 8.210 -10.938 -0.282 66 HE1 HIS 10 HE1 HIS 10 8.278 -9.874 3.799 67 HE2 HIS 10 HE2 HIS 10 8.466 -11.797 2.163 68 H LEU 11 H LEU 11 9.969 -5.154 0.168 69 HA LEU 11 HA LEU 11 8.269 -3.347 -1.277 70 HB2 LEU 11 HB3 LEU 11 9.525 -2.954 0.922 71 HB3 LEU 11 HB2 LEU 11 10.948 -2.666 -0.065 72 HG LEU 11 HG LEU 11 8.526 -1.184 -0.915 73 HD11 LEU 11 HD11 LEU 11 8.059 -0.777 1.335 74 HD12 LEU 11 HD12 LEU 11 9.128 0.567 0.936 75 HD13 LEU 11 HD13 LEU 11 9.758 -0.833 1.802 76 HD21 LEU 11 HD21 LEU 11 10.856 -0.932 -1.859 77 HD22 LEU 11 HD22 LEU 11 11.349 -0.259 -0.305 78 HD23 LEU 11 HD23 LEU 11 10.145 0.577 -1.287 79 H ASP 12 H ASP 12 11.312 -4.864 -2.015 80 HA ASP 12 HA ASP 12 11.896 -3.000 -4.227 81 HB2 ASP 12 HB3 ASP 12 13.711 -4.050 -2.838 82 HB3 ASP 12 HB2 ASP 12 13.250 -5.615 -3.510 83 H SER 13 H SER 13 10.239 -5.982 -3.690 84 HA SER 13 HA SER 13 10.404 -6.908 -6.456 85 HB2 SER 13 HB3 SER 13 10.071 -8.427 -4.468 86 HB3 SER 13 HB2 SER 13 8.452 -7.758 -4.298 87 HG SER 13 HG SER 13 8.564 -8.362 -6.777 88 H ILE 14 H ILE 14 8.303 -4.820 -4.603 89 HA ILE 14 HA ILE 14 6.101 -4.949 -6.537 90 HB ILE 14 HB ILE 14 5.187 -3.065 -5.188 91 HG12 ILE 14 HG13 ILE 14 7.620 -3.441 -3.440 92 HG13 ILE 14 HG12 ILE 14 7.519 -2.161 -4.644 93 HG21 ILE 14 HG21 ILE 14 4.684 -4.408 -3.295 94 HG22 ILE 14 HG22 ILE 14 6.252 -5.213 -3.353 95 HG23 ILE 14 HG23 ILE 14 5.033 -5.573 -4.573 96 HD11 ILE 14 HD11 ILE 14 5.974 -0.968 -3.451 97 HD12 ILE 14 HD12 ILE 14 6.686 -1.836 -2.092 98 HD13 ILE 14 HD13 ILE 14 5.188 -2.414 -2.816 99 H GLY 15 H GLY 15 9.120 -3.390 -6.448 100 HA2 GLY 15 HA3 GLY 15 10.050 -1.682 -7.765 101 HA3 GLY 15 HA2 GLY 15 8.767 -2.048 -8.918 102 H GLU 16 H GLU 16 8.254 0.101 -9.444 103 HA GLU 16 HA GLU 16 7.004 1.688 -7.232 104 HB2 GLU 16 HB3 GLU 16 9.090 2.789 -7.757 105 HB3 GLU 16 HB2 GLU 16 8.779 2.668 -9.487 106 HG2 GLU 16 HG3 GLU 16 8.318 4.949 -8.443 107 HG3 GLU 16 HG2 GLU 16 6.986 4.262 -9.371 108 H VAL 17 H VAL 17 4.870 1.214 -7.769 109 HA VAL 17 HA VAL 17 3.866 1.054 -10.447 110 HB VAL 17 HB VAL 17 2.837 0.356 -8.090 111 HG11 VAL 17 HG11 VAL 17 1.301 2.902 -8.584 112 HG12 VAL 17 HG12 VAL 17 2.698 2.873 -7.508 113 HG13 VAL 17 HG13 VAL 17 1.293 1.868 -7.156 114 HG21 VAL 17 HG21 VAL 17 1.623 -0.488 -9.856 115 HG22 VAL 17 HG22 VAL 17 1.550 1.061 -10.691 116 HG23 VAL 17 HG23 VAL 17 0.475 0.742 -9.331 117 H THR 18 H THR 18 1.775 2.819 -10.742 118 HA THR 18 HA THR 18 3.162 5.282 -11.407 119 HB THR 18 HB THR 18 0.396 5.768 -11.548 120 HG1 THR 18 HG1 THR 18 0.180 3.594 -12.871 121 HG21 THR 18 HG21 THR 18 2.114 6.326 -13.245 122 HG22 THR 18 HG22 THR 18 0.738 5.487 -13.960 123 HG23 THR 18 HG23 THR 18 2.243 4.617 -13.660 124 H LYS 19 H LYS 19 3.372 7.067 -10.174 125 HA LYS 19 HA LYS 19 2.694 7.141 -7.417 126 HB2 LYS 19 HB3 LYS 19 2.834 9.764 -7.929 127 HB3 LYS 19 HB2 LYS 19 4.280 8.760 -7.924 128 HG2 LYS 19 HG3 LYS 19 3.130 8.565 -10.541 129 HG3 LYS 19 HG2 LYS 19 3.152 10.262 -10.108 130 HD2 LYS 19 HD3 LYS 19 5.255 9.534 -11.238 131 HD3 LYS 19 HD2 LYS 19 5.542 10.153 -9.613 132 HE2 LYS 19 HE3 LYS 19 5.007 7.284 -9.563 133 HE3 LYS 19 HE2 LYS 19 6.377 7.660 -10.604 134 HZ1 LYS 19 HZ1 LYS 19 6.058 8.061 -7.728 135 HZ2 LYS 19 HZ2 LYS 19 6.971 9.212 -8.584 136 HZ3 LYS 19 HZ3 LYS 19 7.421 7.574 -8.612 137 H GLU 20 H GLU 20 1.191 8.959 -10.089 138 HA GLU 20 HA GLU 20 -1.039 9.989 -8.888 139 HB2 GLU 20 HB3 GLU 20 -0.766 10.442 -11.172 140 HB3 GLU 20 HB2 GLU 20 -0.691 8.724 -11.584 141 HG2 GLU 20 HG3 GLU 20 -3.092 8.521 -10.864 142 HG3 GLU 20 HG2 GLU 20 -3.124 10.267 -10.625 143 H ASP 21 H ASP 21 -0.493 6.645 -9.865 144 HA ASP 21 HA ASP 21 -3.051 5.569 -9.416 145 HB2 ASP 21 HB3 ASP 21 -0.773 4.401 -10.085 146 HB3 ASP 21 HB2 ASP 21 -0.646 4.105 -8.354 147 H LEU 22 H LEU 22 -0.503 6.379 -7.095 148 HA LEU 22 HA LEU 22 -2.008 5.524 -4.776 149 HB2 LEU 22 HB3 LEU 22 0.386 7.334 -5.140 150 HB3 LEU 22 HB2 LEU 22 -0.335 7.042 -3.557 151 HG LEU 22 HG LEU 22 0.040 4.634 -3.800 152 HD11 LEU 22 HD11 LEU 22 -0.165 4.184 -6.096 153 HD12 LEU 22 HD12 LEU 22 1.565 3.996 -5.817 154 HD13 LEU 22 HD13 LEU 22 0.947 5.477 -6.546 155 HD21 LEU 22 HD21 LEU 22 2.431 6.412 -4.352 156 HD22 LEU 22 HD22 LEU 22 2.584 4.703 -3.939 157 HD23 LEU 22 HD23 LEU 22 1.864 5.828 -2.787 158 H LEU 23 H LEU 23 -1.976 8.255 -6.822 159 HA LEU 23 HA LEU 23 -3.275 10.066 -4.929 160 HB2 LEU 23 HB3 LEU 23 -2.952 10.263 -7.945 161 HB3 LEU 23 HB2 LEU 23 -3.338 11.586 -6.872 162 HG LEU 23 HG LEU 23 -0.749 10.004 -6.975 163 HD11 LEU 23 HD11 LEU 23 -0.892 12.997 -6.986 164 HD12 LEU 23 HD12 LEU 23 -1.443 12.171 -8.442 165 HD13 LEU 23 HD13 LEU 23 0.200 11.919 -7.855 166 HD21 LEU 23 HD21 LEU 23 -1.855 11.860 -4.856 167 HD22 LEU 23 HD22 LEU 23 -0.116 11.728 -5.115 168 HD23 LEU 23 HD23 LEU 23 -1.047 10.305 -4.653 169 H LEU 24 H LEU 24 -4.367 8.342 -7.928 170 HA LEU 24 HA LEU 24 -7.120 9.062 -7.453 171 HB2 LEU 24 HB3 LEU 24 -7.730 7.324 -9.034 172 HB3 LEU 24 HB2 LEU 24 -6.355 8.231 -9.672 173 HG LEU 24 HG LEU 24 -5.046 6.251 -8.336 174 HD11 LEU 24 HD11 LEU 24 -7.489 4.901 -9.516 175 HD12 LEU 24 HD12 LEU 24 -7.307 5.199 -7.790 176 HD13 LEU 24 HD13 LEU 24 -6.173 4.142 -8.624 177 HD21 LEU 24 HD21 LEU 24 -4.563 6.808 -10.625 178 HD22 LEU 24 HD22 LEU 24 -6.157 6.273 -11.154 179 HD23 LEU 24 HD23 LEU 24 -4.968 5.092 -10.604 180 H LYS 25 H LYS 25 -5.130 6.222 -6.577 181 HA LYS 25 HA LYS 25 -7.108 4.653 -5.352 182 HB2 LYS 25 HB3 LYS 25 -4.226 5.199 -4.617 183 HB3 LYS 25 HB2 LYS 25 -5.216 4.103 -3.658 184 HG2 LYS 25 HG3 LYS 25 -5.519 2.604 -5.467 185 HG3 LYS 25 HG2 LYS 25 -5.008 3.801 -6.654 186 HD2 LYS 25 HD3 LYS 25 -2.720 3.652 -5.945 187 HD3 LYS 25 HD2 LYS 25 -3.155 2.715 -4.522 188 HE2 LYS 25 HE3 LYS 25 -3.726 0.805 -5.832 189 HE3 LYS 25 HE2 LYS 25 -3.720 1.742 -7.326 190 HZ1 LYS 25 HZ1 LYS 25 -1.501 0.620 -5.832 191 HZ2 LYS 25 HZ2 LYS 25 -1.249 2.183 -6.447 192 HZ3 LYS 25 HZ3 LYS 25 -1.655 0.910 -7.496 193 H SER 26 H SER 26 -5.329 7.438 -4.065 194 HA SER 26 HA SER 26 -6.699 7.555 -1.533 195 HB2 SER 26 HB3 SER 26 -4.478 8.735 -2.382 196 HB3 SER 26 HB2 SER 26 -5.582 9.985 -2.920 197 HG SER 26 HG SER 26 -5.923 8.982 -0.342 198 H LYS 27 H LYS 27 -8.092 7.634 -4.424 199 HA LYS 27 HA LYS 27 -9.430 10.033 -4.797 200 HB2 LYS 27 HB3 LYS 27 -11.429 8.522 -5.552 201 HB3 LYS 27 HB2 LYS 27 -9.917 8.476 -6.450 202 HG2 LYS 27 HG3 LYS 27 -9.446 6.335 -5.819 203 HG3 LYS 27 HG2 LYS 27 -10.079 6.566 -4.183 204 HD2 LYS 27 HD3 LYS 27 -11.504 4.991 -5.371 205 HD3 LYS 27 HD2 LYS 27 -12.398 6.497 -5.152 206 HE2 LYS 27 HE3 LYS 27 -11.800 7.199 -7.433 207 HE3 LYS 27 HE2 LYS 27 -10.874 5.716 -7.656 208 HZ1 LYS 27 HZ1 LYS 27 -12.867 4.428 -7.390 209 HZ2 LYS 27 HZ2 LYS 27 -13.123 5.593 -8.600 210 HZ3 LYS 27 HZ3 LYS 27 -13.779 5.817 -7.049 211 H GLY 28 H GLY 28 -10.556 7.384 -2.592 212 HA2 GLY 28 HA3 GLY 28 -11.294 8.639 -0.405 213 HA3 GLY 28 HA2 GLY 28 -12.480 9.360 -1.477 214 H THR 29 H THR 29 -11.819 6.158 -2.419 215 HA THR 29 HA THR 29 -13.687 4.946 -0.526 216 HB THR 29 HB THR 29 -14.960 4.432 -2.970 217 HG1 THR 29 HG1 THR 29 -14.365 7.173 -2.618 218 HG21 THR 29 HG21 THR 29 -15.949 4.722 -0.663 219 HG22 THR 29 HG22 THR 29 -16.846 5.527 -1.949 220 HG23 THR 29 HG23 THR 29 -15.791 6.463 -0.891 221 H CYS 30 H CYS 30 -13.782 2.689 -0.694 222 HA CYS 30 HA CYS 30 -11.532 1.309 -1.832 223 HB2 CYS 30 HB3 CYS 30 -12.889 0.431 0.087 224 HB3 CYS 30 HB2 CYS 30 -14.235 0.172 -1.022 225 H GLN 31 H GLN 31 -11.450 0.086 -3.819 226 HA GLN 31 HA GLN 31 -13.334 1.046 -5.848 227 HB2 GLN 31 HB3 GLN 31 -11.994 -0.415 -7.391 228 HB3 GLN 31 HB2 GLN 31 -11.060 0.828 -6.570 229 HG2 GLN 31 HG3 GLN 31 -9.767 -1.175 -6.412 230 HG3 GLN 31 HG2 GLN 31 -10.488 -0.950 -4.826 231 HE21 GLN 31 HE21 GLN 31 -10.312 -3.326 -4.484 232 HE22 GLN 31 HE22 GLN 31 -11.429 -4.372 -5.219 233 H SER 32 H SER 32 -13.157 -1.670 -3.761 234 HA SER 32 HA SER 32 -15.141 -3.124 -5.473 235 HB2 SER 32 HB3 SER 32 -13.137 -4.100 -3.437 236 HB3 SER 32 HB2 SER 32 -14.495 -5.096 -3.959 237 HG SER 32 HG SER 32 -13.371 -4.037 -6.112 238 H CYS 33 H CYS 33 -14.795 -1.296 -2.622 239 HA CYS 33 HA CYS 33 -17.414 -2.367 -1.633 240 HB2 CYS 33 HB3 CYS 33 -15.197 -1.263 0.111 241 HB3 CYS 33 HB2 CYS 33 -16.707 -1.979 0.647 242 H GLY 34 H GLY 34 -15.489 0.437 -2.442 243 HA2 GLY 34 HA3 GLY 34 -16.055 2.725 -2.396 244 HA3 GLY 34 HA2 GLY 34 -17.710 2.172 -2.654 245 H VAL 35 H VAL 35 -15.298 2.329 -0.038 246 HA VAL 35 HA VAL 35 -17.504 2.670 1.920 247 HB VAL 35 HB VAL 35 -15.815 2.076 3.608 248 HG11 VAL 35 HG11 VAL 35 -15.119 -0.190 2.359 249 HG12 VAL 35 HG12 VAL 35 -16.295 0.387 1.182 250 HG13 VAL 35 HG13 VAL 35 -16.784 0.118 2.851 251 HG21 VAL 35 HG21 VAL 35 -13.808 3.037 2.773 252 HG22 VAL 35 HG22 VAL 35 -13.982 2.247 1.206 253 HG23 VAL 35 HG23 VAL 35 -13.555 1.303 2.628 254 H THR 36 H THR 36 -14.299 4.192 1.202 255 HA THR 36 HA THR 36 -15.081 6.846 1.341 256 HB THR 36 HB THR 36 -16.007 6.639 3.542 257 HG1 THR 36 HG1 THR 36 -13.583 7.477 4.456 258 HG21 THR 36 HG21 THR 36 -14.367 5.755 5.390 259 HG22 THR 36 HG22 THR 36 -13.568 4.955 4.039 260 HG23 THR 36 HG23 THR 36 -15.256 4.597 4.404 261 H GLY 37 H GLY 37 -13.117 8.215 2.478 262 HA2 GLY 37 HA3 GLY 37 -10.690 7.139 1.203 263 HA3 GLY 37 HA2 GLY 37 -10.905 8.775 1.787 264 HA PRO 38 HA PRO 38 -8.942 8.248 5.631 265 HB2 PRO 38 HB3 PRO 38 -11.200 7.912 7.391 266 HB3 PRO 38 HB2 PRO 38 -10.157 9.325 7.192 267 HG2 PRO 38 HG3 PRO 38 -12.818 8.823 6.100 268 HG3 PRO 38 HG2 PRO 38 -11.928 10.347 6.233 269 HD2 PRO 38 HD3 PRO 38 -12.404 9.069 3.842 270 HD3 PRO 38 HD2 PRO 38 -11.020 10.150 4.116 271 H ASN 39 H ASN 39 -7.971 6.477 6.322 272 HA ASN 39 HA ASN 39 -7.632 4.312 7.126 273 HB2 ASN 39 HB3 ASN 39 -10.178 4.851 8.022 274 HB3 ASN 39 HB2 ASN 39 -10.455 3.429 7.009 275 HD21 ASN 39 HD21 ASN 39 -9.653 1.400 7.756 276 HD22 ASN 39 HD22 ASN 39 -8.866 1.206 9.248 277 H LEU 40 H LEU 40 -7.978 5.078 4.200 278 HA LEU 40 HA LEU 40 -9.047 2.590 3.039 279 HB2 LEU 40 HB3 LEU 40 -7.899 5.121 1.916 280 HB3 LEU 40 HB2 LEU 40 -7.875 3.687 0.910 281 HG LEU 40 HG LEU 40 -10.302 5.079 2.078 282 HD11 LEU 40 HD11 LEU 40 -9.199 5.915 -0.049 283 HD12 LEU 40 HD12 LEU 40 -10.885 5.431 -0.233 284 HD13 LEU 40 HD13 LEU 40 -9.600 4.364 -0.773 285 HD21 LEU 40 HD21 LEU 40 -9.953 2.297 1.008 286 HD22 LEU 40 HD22 LEU 40 -11.411 3.176 0.554 287 HD23 LEU 40 HD23 LEU 40 -11.055 2.883 2.254 288 H TRP 41 H TRP 41 -7.567 1.388 1.479 289 HA TRP 41 HA TRP 41 -4.697 1.441 2.110 290 HB2 TRP 41 HB3 TRP 41 -6.329 -1.029 2.782 291 HB3 TRP 41 HB2 TRP 41 -4.583 -0.856 2.941 292 HD1 TRP 41 HD TRP 41 -7.827 0.666 4.344 293 HE1 TRP 41 HE1 TRP 41 -7.373 1.482 6.748 294 HE3 TRP 41 HE3 TRP 41 -2.823 -0.295 4.673 295 HZ2 TRP 41 HZ2 TRP 41 -5.184 1.689 8.571 296 HZ3 TRP 41 HZ3 TRP 41 -1.583 0.218 6.758 297 HH2 TRP 41 HH2 TRP 41 -2.755 1.205 8.704 298 H ALA 42 H ALA 42 -4.449 1.728 -0.146 299 HA ALA 42 HA ALA 42 -5.640 -0.251 -1.957 300 HB1 ALA 42 HB1 ALA 42 -5.515 2.120 -2.615 301 HB2 ALA 42 HB2 ALA 42 -4.591 1.108 -3.724 302 HB3 ALA 42 HB3 ALA 42 -3.759 2.059 -2.492 303 H CYS 43 H CYS 43 -4.531 -1.804 -3.086 304 HA CYS 43 HA CYS 43 -2.186 -2.956 -1.940 305 HB2 CYS 43 HB3 CYS 43 -3.936 -4.059 -3.461 306 HB3 CYS 43 HB2 CYS 43 -3.072 -3.319 -4.809 307 H LEU 44 H LEU 44 0.003 -2.961 -2.791 308 HA LEU 44 HA LEU 44 0.578 -0.770 -4.736 309 HB2 LEU 44 HB3 LEU 44 0.915 -0.079 -2.314 310 HB3 LEU 44 HB2 LEU 44 2.210 -1.269 -2.243 311 HG LEU 44 HG LEU 44 3.043 -0.021 -4.438 312 HD11 LEU 44 HD11 LEU 44 2.468 2.284 -4.561 313 HD12 LEU 44 HD12 LEU 44 1.662 2.245 -2.995 314 HD13 LEU 44 HD13 LEU 44 0.934 1.436 -4.382 315 HD21 LEU 44 HD21 LEU 44 4.489 1.343 -3.058 316 HD22 LEU 44 HD22 LEU 44 4.196 -0.166 -2.194 317 HD23 LEU 44 HD23 LEU 44 3.334 1.300 -1.726 318 H GLN 45 H GLN 45 0.529 -3.471 -5.512 319 HA GLN 45 HA GLN 45 3.364 -4.338 -5.439 320 HB2 GLN 45 HB3 GLN 45 1.209 -5.748 -6.992 321 HB3 GLN 45 HB2 GLN 45 2.680 -6.412 -6.276 322 HG2 GLN 45 HG3 GLN 45 0.990 -5.196 -4.234 323 HG3 GLN 45 HG2 GLN 45 0.116 -6.432 -5.136 324 HE21 GLN 45 HE21 GLN 45 1.800 -6.185 -2.371 325 HE22 GLN 45 HE22 GLN 45 2.583 -7.692 -2.334 326 H VAL 46 H VAL 46 4.602 -4.550 -7.321 327 HA VAL 46 HA VAL 46 4.741 -2.524 -9.141 328 HB VAL 46 HB VAL 46 6.337 -4.479 -8.904 329 HG11 VAL 46 HG11 VAL 46 5.964 -6.471 -10.140 330 HG12 VAL 46 HG12 VAL 46 4.613 -5.764 -11.025 331 HG13 VAL 46 HG13 VAL 46 4.436 -6.161 -9.316 332 HG21 VAL 46 HG21 VAL 46 7.114 -4.311 -11.223 333 HG22 VAL 46 HG22 VAL 46 6.551 -2.735 -10.667 334 HG23 VAL 46 HG23 VAL 46 5.535 -3.711 -11.728 335 H ALA 47 H ALA 47 2.272 -5.009 -9.222 336 HA ALA 47 HA ALA 47 1.136 -3.637 -11.595 337 HB1 ALA 47 HB1 ALA 47 2.409 -5.369 -12.658 338 HB2 ALA 47 HB2 ALA 47 0.721 -5.881 -12.688 339 HB3 ALA 47 HB3 ALA 47 1.833 -6.578 -11.510 340 H CYS 48 H CYS 48 -0.025 -3.335 -9.179 341 HA CYS 48 HA CYS 48 -2.502 -4.941 -9.495 342 HB2 CYS 48 HB3 CYS 48 -0.960 -5.949 -7.707 343 HB3 CYS 48 HB2 CYS 48 -1.306 -4.502 -6.762 344 HA PRO 49 HA PRO 49 -3.383 -0.516 -8.597 345 HB2 PRO 49 HB3 PRO 49 -4.870 0.032 -10.787 346 HB3 PRO 49 HB2 PRO 49 -3.097 0.016 -10.842 347 HG2 PRO 49 HG3 PRO 49 -5.036 -2.010 -11.819 348 HG3 PRO 49 HG2 PRO 49 -3.465 -1.533 -12.484 349 HD2 PRO 49 HD3 PRO 49 -3.952 -3.808 -10.892 350 HD3 PRO 49 HD2 PRO 49 -2.355 -3.115 -11.249 351 H TYR 50 H TYR 50 -4.801 -0.911 -6.870 352 HA TYR 50 HA TYR 50 -7.644 -0.861 -7.423 353 HB2 TYR 50 HB3 TYR 50 -6.399 -3.389 -6.298 354 HB3 TYR 50 HB2 TYR 50 -8.107 -2.997 -6.116 355 HD1 TYR 50 HD1 TYR 50 -5.809 -4.737 -8.105 356 HD2 TYR 50 HD2 TYR 50 -9.269 -2.209 -8.424 357 HE1 TYR 50 HE1 TYR 50 -6.262 -5.641 -10.369 358 HE2 TYR 50 HE2 TYR 50 -9.719 -3.112 -10.688 359 HH TYR 50 HH TYR 50 -7.489 -4.796 -12.472 360 H VAL 51 H VAL 51 -8.591 0.194 -5.679 361 HA VAL 51 HA VAL 51 -6.875 0.525 -3.277 362 HB VAL 51 HB VAL 51 -7.413 2.635 -4.171 363 HG11 VAL 51 HG11 VAL 51 -9.196 1.900 -5.694 364 HG12 VAL 51 HG12 VAL 51 -9.725 3.294 -4.755 365 HG13 VAL 51 HG13 VAL 51 -10.289 1.680 -4.328 366 HG21 VAL 51 HG21 VAL 51 -8.275 3.644 -2.309 367 HG22 VAL 51 HG22 VAL 51 -8.076 2.031 -1.629 368 HG23 VAL 51 HG23 VAL 51 -9.656 2.552 -2.214 369 H GLY 52 H GLY 52 -7.321 -1.022 -1.810 370 HA2 GLY 52 HA3 GLY 52 -10.062 -2.031 -1.500 371 HA3 GLY 52 HA2 GLY 52 -8.637 -2.650 -0.682 372 H CYS 53 H CYS 53 -10.438 -2.538 1.070 373 HA CYS 53 HA CYS 53 -10.661 0.149 2.325 374 HB2 CYS 53 HB3 CYS 53 -11.977 -1.569 3.999 375 HB3 CYS 53 HB2 CYS 53 -12.769 -0.726 2.694 376 H GLY 54 H GLY 54 -10.634 0.031 4.721 377 HA2 GLY 54 HA3 GLY 54 -8.402 -1.669 5.761 378 HA3 GLY 54 HA2 GLY 54 -8.699 -0.010 6.321 379 H GLU 55 H GLU 55 -8.927 -2.327 8.078 380 HA GLU 55 HA GLU 55 -11.240 -3.573 8.580 381 HB2 GLU 55 HB3 GLU 55 -11.123 -3.067 10.924 382 HB3 GLU 55 HB2 GLU 55 -9.469 -3.116 10.319 383 HG2 GLU 55 HG3 GLU 55 -9.682 -0.583 9.986 384 HG3 GLU 55 HG2 GLU 55 -11.133 -0.688 10.984 385 H SER 56 H SER 56 -10.921 -0.099 8.595 386 HA SER 56 HA SER 56 -13.211 1.004 9.486 387 HB2 SER 56 HB3 SER 56 -11.567 1.440 7.098 388 HB3 SER 56 HB2 SER 56 -13.225 1.968 6.875 389 HG SER 56 HG SER 56 -12.186 3.659 7.817 390 H PHE 57 H PHE 57 -12.999 -0.994 6.547 391 HA PHE 57 HA PHE 57 -15.982 -1.327 6.674 392 HB2 PHE 57 HB3 PHE 57 -15.285 -0.203 4.619 393 HB3 PHE 57 HB2 PHE 57 -14.182 -1.506 4.257 394 HD1 PHE 57 HD1 PHE 57 -17.779 -0.999 5.183 395 HD2 PHE 57 HD2 PHE 57 -14.935 -3.223 2.853 396 HE1 PHE 57 HE1 PHE 57 -19.631 -2.274 4.138 397 HE2 PHE 57 HE2 PHE 57 -16.789 -4.498 1.809 398 HZ PHE 57 HZ PHE 57 -19.136 -4.023 2.451 399 H ALA 58 H ALA 58 -13.890 -3.143 4.609 400 HA ALA 58 HA ALA 58 -14.310 -5.577 6.320 401 HB1 ALA 58 HB1 ALA 58 -14.048 -5.563 3.302 402 HB2 ALA 58 HB2 ALA 58 -15.609 -5.484 4.120 403 HB3 ALA 58 HB3 ALA 58 -14.573 -6.894 4.335 404 H ASP 59 H ASP 59 -12.089 -3.421 5.235 405 HA ASP 59 HA ASP 59 -9.768 -3.439 5.030 406 HB2 ASP 59 HB3 ASP 59 -9.818 -4.264 7.297 407 HB3 ASP 59 HB2 ASP 59 -10.147 -5.898 6.755 408 H HIS 60 H HIS 60 -10.594 -4.179 2.646 409 HA HIS 60 HA HIS 60 -10.205 -6.807 1.713 410 HB2 HIS 60 HB3 HIS 60 -10.007 -4.121 0.527 411 HB3 HIS 60 HB2 HIS 60 -8.966 -5.287 -0.258 412 HD2 HIS 60 HD2 HIS 60 -10.603 -7.823 -0.819 413 HE1 HIS 60 HE1 HIS 60 -13.973 -5.463 -1.750 414 HE2 HIS 60 HE2 HIS 60 -12.947 -7.770 -1.951 415 H SER 61 H SER 61 -8.011 -4.473 2.952 416 HA SER 61 HA SER 61 -5.505 -5.153 2.002 417 HB2 SER 61 HB3 SER 61 -6.337 -3.577 3.975 418 HB3 SER 61 HB2 SER 61 -5.839 -4.934 4.973 419 HG SER 61 HG SER 61 -3.789 -4.795 4.052 420 H THR 62 H THR 62 -7.530 -7.064 4.183 421 HA THR 62 HA THR 62 -5.354 -8.986 4.631 422 HB THR 62 HB THR 62 -7.328 -10.234 5.778 423 HG1 THR 62 HG1 THR 62 -8.346 -7.677 5.211 424 HG21 THR 62 HG21 THR 62 -5.699 -9.388 7.221 425 HG22 THR 62 HG22 THR 62 -7.128 -8.490 7.732 426 HG23 THR 62 HG23 THR 62 -5.938 -7.727 6.677 427 H ILE 63 H ILE 63 -8.746 -9.398 3.535 428 HA ILE 63 HA ILE 63 -8.300 -11.928 2.415 429 HB ILE 63 HB ILE 63 -10.292 -11.394 0.925 430 HG12 ILE 63 HG13 ILE 63 -10.389 -8.908 2.638 431 HG13 ILE 63 HG12 ILE 63 -9.729 -8.924 1.004 432 HG21 ILE 63 HG21 ILE 63 -11.850 -11.364 2.864 433 HG22 ILE 63 HG22 ILE 63 -10.504 -10.944 3.922 434 HG23 ILE 63 HG23 ILE 63 -10.530 -12.507 3.107 435 HD11 ILE 63 HD11 ILE 63 -11.830 -9.594 0.062 436 HD12 ILE 63 HD12 ILE 63 -12.186 -8.272 1.174 437 HD13 ILE 63 HD13 ILE 63 -12.501 -9.940 1.656 438 H HIS 64 H HIS 64 -7.756 -8.744 1.091 439 HA HIS 64 HA HIS 64 -7.261 -9.611 -1.624 440 HB2 HIS 64 HB3 HIS 64 -7.805 -7.251 -1.088 441 HB3 HIS 64 HB2 HIS 64 -6.275 -7.110 -0.218 442 HD1 HIS 64 HD1 HIS 64 -7.715 -6.880 -3.580 443 HD2 HIS 64 HD2 HIS 64 -3.935 -7.559 -1.959 444 HE1 HIS 64 HE1 HIS 64 -6.055 -6.546 -5.465 445 H ALA 65 H ALA 65 -5.166 -8.974 1.202 446 HA ALA 65 HA ALA 65 -2.736 -9.656 -0.302 447 HB1 ALA 65 HB1 ALA 65 -2.517 -8.160 1.610 448 HB2 ALA 65 HB2 ALA 65 -1.691 -9.668 1.999 449 HB3 ALA 65 HB3 ALA 65 -3.288 -9.340 2.670 450 H GLN 66 H GLN 66 -5.239 -11.188 1.314 451 HA GLN 66 HA GLN 66 -3.929 -13.710 1.962 452 HB2 GLN 66 HB3 GLN 66 -5.726 -12.900 3.337 453 HB3 GLN 66 HB2 GLN 66 -6.725 -12.628 1.935 454 HG2 GLN 66 HG3 GLN 66 -7.681 -14.582 2.534 455 HG3 GLN 66 HG2 GLN 66 -6.328 -15.286 1.650 456 HE21 GLN 66 HE21 GLN 66 -4.410 -14.308 3.832 457 HE22 GLN 66 HE22 GLN 66 -4.621 -15.411 5.105 458 H ALA 67 H ALA 67 -6.043 -12.435 -0.584 459 HA ALA 67 HA ALA 67 -6.301 -15.078 -1.844 460 HB1 ALA 67 HB1 ALA 67 -7.511 -12.376 -2.245 461 HB2 ALA 67 HB2 ALA 67 -8.296 -13.950 -2.125 462 HB3 ALA 67 HB3 ALA 67 -7.488 -13.480 -3.621 463 H LYS 68 H LYS 68 -4.851 -11.924 -2.579 464 HA LYS 68 HA LYS 68 -3.524 -13.095 -4.965 465 HB2 LYS 68 HB3 LYS 68 -3.520 -10.242 -3.943 466 HB3 LYS 68 HB2 LYS 68 -2.949 -10.798 -5.512 467 HG2 LYS 68 HG3 LYS 68 -5.074 -10.214 -6.170 468 HG3 LYS 68 HG2 LYS 68 -5.445 -11.833 -5.577 469 HD2 LYS 68 HD3 LYS 68 -6.141 -10.954 -3.430 470 HD3 LYS 68 HD2 LYS 68 -5.613 -9.336 -3.876 471 HE2 LYS 68 HE3 LYS 68 -8.085 -9.663 -4.115 472 HE3 LYS 68 HE2 LYS 68 -7.295 -9.207 -5.624 473 HZ1 LYS 68 HZ1 LYS 68 -8.739 -11.002 -6.097 474 HZ2 LYS 68 HZ2 LYS 68 -8.162 -11.915 -4.785 475 HZ3 LYS 68 HZ3 LYS 68 -7.163 -11.631 -6.131 476 H LYS 69 H LYS 69 -2.926 -13.030 -1.786 477 HA LYS 69 HA LYS 69 -1.004 -13.209 -0.481 478 HB2 LYS 69 HB3 LYS 69 -0.219 -14.210 -3.181 479 HB3 LYS 69 HB2 LYS 69 1.079 -13.906 -2.030 480 HG2 LYS 69 HG3 LYS 69 0.133 -16.260 -1.984 481 HG3 LYS 69 HG2 LYS 69 0.139 -15.427 -0.431 482 HD2 LYS 69 HD3 LYS 69 -2.167 -15.180 -0.393 483 HD3 LYS 69 HD2 LYS 69 -2.301 -15.164 -2.151 484 HE2 LYS 69 HE3 LYS 69 -1.893 -17.558 -2.255 485 HE3 LYS 69 HE2 LYS 69 -1.581 -17.615 -0.520 486 HZ1 LYS 69 HZ1 LYS 69 -3.818 -17.043 -0.060 487 HZ2 LYS 69 HZ2 LYS 69 -3.861 -18.303 -1.198 488 HZ3 LYS 69 HZ3 LYS 69 -4.148 -16.702 -1.689 489 H HIS 70 H HIS 70 -1.596 -10.621 -2.152 490 HA HIS 70 HA HIS 70 1.067 -9.415 -2.438 491 HB2 HIS 70 HB3 HIS 70 -1.725 -8.211 -2.424 492 HB3 HIS 70 HB2 HIS 70 -0.256 -7.300 -2.751 493 HD2 HIS 70 HD2 HIS 70 0.917 -10.097 -4.569 494 HE1 HIS 70 HE1 HIS 70 -2.079 -8.729 -7.207 495 HE2 HIS 70 HE2 HIS 70 -0.025 -10.199 -6.996 496 H ASN 71 H ASN 71 2.248 -8.826 -0.642 497 HA ASN 71 HA ASN 71 0.829 -8.557 1.933 498 HB2 ASN 71 HB3 ASN 71 3.348 -8.187 2.658 499 HB3 ASN 71 HB2 ASN 71 2.734 -9.795 2.278 500 HD21 ASN 71 HD21 ASN 71 3.863 -7.032 0.234 501 HD22 ASN 71 HD22 ASN 71 4.936 -7.968 -0.688 502 H LEU 72 H LEU 72 2.780 -6.522 -0.235 503 HA LEU 72 HA LEU 72 2.671 -4.281 1.631 504 HB2 LEU 72 HB3 LEU 72 3.637 -4.496 -1.219 505 HB3 LEU 72 HB2 LEU 72 3.774 -3.036 -0.240 506 HG LEU 72 HG LEU 72 4.784 -5.634 0.868 507 HD11 LEU 72 HD11 LEU 72 6.071 -3.956 -1.275 508 HD12 LEU 72 HD12 LEU 72 5.906 -5.710 -1.195 509 HD13 LEU 72 HD13 LEU 72 7.045 -4.882 -0.134 510 HD21 LEU 72 HD21 LEU 72 5.933 -2.841 1.078 511 HD22 LEU 72 HD22 LEU 72 6.209 -4.211 2.153 512 HD23 LEU 72 HD23 LEU 72 4.645 -3.400 2.143 513 H THR 73 H THR 73 1.364 -2.613 1.649 514 HA THR 73 HA THR 73 -0.321 -1.884 -0.643 515 HB THR 73 HB THR 73 -1.770 -3.508 0.514 516 HG1 THR 73 HG1 THR 73 -3.425 -1.962 1.176 517 HG21 THR 73 HG21 THR 73 -2.386 -3.176 2.868 518 HG22 THR 73 HG22 THR 73 -1.308 -1.784 2.964 519 HG23 THR 73 HG23 THR 73 -0.644 -3.397 2.713 520 H VAL 74 H VAL 74 -1.268 0.357 -0.176 521 HA VAL 74 HA VAL 74 0.347 1.694 1.967 522 HB VAL 74 HB VAL 74 1.286 2.370 -0.102 523 HG11 VAL 74 HG11 VAL 74 -1.577 2.851 -0.998 524 HG12 VAL 74 HG12 VAL 74 -0.503 1.579 -1.578 525 HG13 VAL 74 HG13 VAL 74 -0.147 3.267 -1.940 526 HG21 VAL 74 HG21 VAL 74 -0.719 4.561 0.483 527 HG22 VAL 74 HG22 VAL 74 0.953 4.726 -0.049 528 HG23 VAL 74 HG23 VAL 74 0.600 4.190 1.593 529 H ASN 75 H ASN 75 -0.693 2.919 3.387 530 HA ASN 75 HA ASN 75 -3.623 3.098 3.240 531 HB2 ASN 75 HB3 ASN 75 -2.269 2.541 5.342 532 HB3 ASN 75 HB2 ASN 75 -1.826 4.246 5.381 533 HD21 ASN 75 HD21 ASN 75 -3.274 3.449 7.551 534 HD22 ASN 75 HD22 ASN 75 -4.888 3.964 7.444 535 H LEU 76 H LEU 76 -4.256 4.691 1.824 536 HA LEU 76 HA LEU 76 -2.825 7.191 1.522 537 HB2 LEU 76 HB3 LEU 76 -5.700 6.650 0.758 538 HB3 LEU 76 HB2 LEU 76 -4.573 7.775 0.007 539 HG LEU 76 HG LEU 76 -3.451 5.095 0.023 540 HD11 LEU 76 HD11 LEU 76 -6.024 5.354 -1.534 541 HD12 LEU 76 HD12 LEU 76 -5.909 4.512 0.010 542 HD13 LEU 76 HD13 LEU 76 -4.993 3.933 -1.378 543 HD21 LEU 76 HD21 LEU 76 -2.868 5.596 -2.166 544 HD22 LEU 76 HD22 LEU 76 -3.022 7.210 -1.477 545 HD23 LEU 76 HD23 LEU 76 -4.327 6.536 -2.451 546 H THR 77 H THR 77 -4.259 6.094 4.131 547 HA THR 77 HA THR 77 -5.859 8.484 4.834 548 HB THR 77 HB THR 77 -5.172 6.020 6.464 549 HG1 THR 77 HG1 THR 77 -6.500 5.835 4.484 550 HG21 THR 77 HG21 THR 77 -5.730 7.841 7.924 551 HG22 THR 77 HG22 THR 77 -7.163 6.820 7.807 552 HG23 THR 77 HG23 THR 77 -7.076 8.329 6.897 553 H THR 78 H THR 78 -2.874 6.816 5.705 554 HA THR 78 HA THR 78 -2.024 9.255 7.222 555 HB THR 78 HB THR 78 -0.949 6.471 7.665 556 HG1 THR 78 HG1 THR 78 -2.464 6.916 9.628 557 HG21 THR 78 HG21 THR 78 -0.344 7.455 9.870 558 HG22 THR 78 HG22 THR 78 -0.993 9.004 9.331 559 HG23 THR 78 HG23 THR 78 0.414 8.309 8.525 560 H PHE 79 H PHE 79 -1.332 7.189 4.581 561 HA PHE 79 HA PHE 79 0.300 7.470 2.908 562 HB2 PHE 79 HB3 PHE 79 1.831 9.426 4.597 563 HB3 PHE 79 HB2 PHE 79 1.653 9.364 2.846 564 HD1 PHE 79 HD1 PHE 79 0.903 11.428 5.383 565 HD2 PHE 79 HD2 PHE 79 -1.178 9.188 2.365 566 HE1 PHE 79 HE1 PHE 79 -0.994 13.021 5.508 567 HE2 PHE 79 HE2 PHE 79 -3.074 10.780 2.491 568 HZ PHE 79 HZ PHE 79 -2.983 12.696 4.063 569 H ARG 80 H ARG 80 0.500 5.335 4.506 570 HA ARG 80 HA ARG 80 3.444 4.982 4.746 571 HB2 ARG 80 HB3 ARG 80 2.488 3.379 6.788 572 HB3 ARG 80 HB2 ARG 80 3.299 4.922 7.014 573 HG2 ARG 80 HG3 ARG 80 1.293 6.068 7.382 574 HG3 ARG 80 HG2 ARG 80 0.330 4.870 6.513 575 HD2 ARG 80 HD3 ARG 80 0.707 3.239 8.303 576 HD3 ARG 80 HD2 ARG 80 1.707 4.398 9.173 577 HE ARG 80 HE ARG 80 -1.090 5.185 8.589 578 HH11 ARG 80 HH11 ARG 80 -2.282 5.734 10.422 579 HH12 ARG 80 HH12 ARG 80 -1.627 5.422 11.994 580 HH21 ARG 80 HH21 ARG 80 1.317 4.047 10.791 581 HH22 ARG 80 HH22 ARG 80 0.408 4.470 12.202 582 H LEU 81 H LEU 81 3.685 2.401 5.190 583 HA LEU 81 HA LEU 81 1.812 1.121 3.247 584 HB2 LEU 81 HB3 LEU 81 4.724 1.144 3.429 585 HB3 LEU 81 HB2 LEU 81 4.070 -0.478 3.283 586 HG LEU 81 HG LEU 81 2.729 0.334 1.349 587 HD11 LEU 81 HD11 LEU 81 2.642 2.701 1.771 588 HD12 LEU 81 HD12 LEU 81 3.577 2.484 0.292 589 HD13 LEU 81 HD13 LEU 81 4.401 2.809 1.816 590 HD21 LEU 81 HD21 LEU 81 4.858 0.689 -0.137 591 HD22 LEU 81 HD22 LEU 81 4.634 -0.851 0.690 592 HD23 LEU 81 HD23 LEU 81 5.732 0.358 1.357 593 H TRP 82 H TRP 82 2.057 -1.392 3.520 594 HA TRP 82 HA TRP 82 2.264 -2.278 6.301 595 HB2 TRP 82 HB3 TRP 82 -0.090 -1.258 5.924 596 HB3 TRP 82 HB2 TRP 82 -0.391 -2.670 4.915 597 HD1 TRP 82 HD TRP 82 1.346 -2.280 8.367 598 HE1 TRP 82 HE1 TRP 82 0.306 -4.002 9.975 599 HE3 TRP 82 HE3 TRP 82 -2.142 -4.377 5.281 600 HZ2 TRP 82 HZ2 TRP 82 -1.738 -6.003 9.959 601 HZ3 TRP 82 HZ3 TRP 82 -3.622 -6.186 6.104 602 HH2 TRP 82 HH2 TRP 82 -3.424 -7.001 8.437 603 H CYS 83 H CYS 83 3.489 -4.060 5.931 604 HA CYS 83 HA CYS 83 3.062 -5.632 3.466 605 HB2 CYS 83 HB3 CYS 83 5.337 -4.886 4.721 606 HB3 CYS 83 HB2 CYS 83 5.080 -6.455 5.472 607 H TYR 84 H TYR 84 1.414 -7.159 3.687 608 HA TYR 84 HA TYR 84 0.789 -8.331 6.275 609 HB2 TYR 84 HB3 TYR 84 -0.715 -8.167 4.095 610 HB3 TYR 84 HB2 TYR 84 0.083 -9.682 3.667 611 HD1 TYR 84 HD1 TYR 84 -0.806 -11.694 4.456 612 HD2 TYR 84 HD2 TYR 84 -1.650 -8.048 6.567 613 HE1 TYR 84 HE1 TYR 84 -2.325 -12.927 5.980 614 HE2 TYR 84 HE2 TYR 84 -3.168 -9.284 8.091 615 HH TYR 84 HH TYR 84 -3.725 -11.396 8.814 616 H ALA 85 H ALA 85 3.431 -8.534 4.437 617 HA ALA 85 HA ALA 85 3.932 -11.420 4.903 618 HB1 ALA 85 HB1 ALA 85 6.114 -10.830 3.633 619 HB2 ALA 85 HB2 ALA 85 5.299 -9.328 3.205 620 HB3 ALA 85 HB3 ALA 85 4.622 -10.877 2.700 621 H CYS 86 H CYS 86 5.944 -8.435 5.091 622 HA CYS 86 HA CYS 86 7.468 -9.407 7.327 623 HB2 CYS 86 HB3 CYS 86 6.926 -6.517 6.541 624 HB3 CYS 86 HB2 CYS 86 8.262 -7.101 7.527 625 H GLU 87 H GLU 87 4.342 -8.349 6.837 626 HA GLU 87 HA GLU 87 2.572 -7.736 8.225 627 HB2 GLU 87 HB3 GLU 87 3.975 -9.981 9.281 628 HB3 GLU 87 HB2 GLU 87 3.429 -9.001 10.632 629 HG2 GLU 87 HG3 GLU 87 1.604 -9.766 8.352 630 HG3 GLU 87 HG2 GLU 87 1.776 -10.754 9.800 631 H LYS 88 H LYS 88 3.950 -5.586 8.027 632 HA LYS 88 HA LYS 88 3.853 -4.379 10.699 633 HB2 LYS 88 HB3 LYS 88 6.216 -3.380 10.303 634 HB3 LYS 88 HB2 LYS 88 6.118 -5.043 10.882 635 HG2 LYS 88 HG3 LYS 88 6.451 -5.909 8.656 636 HG3 LYS 88 HG2 LYS 88 6.336 -4.299 7.955 637 HD2 LYS 88 HD3 LYS 88 8.681 -4.866 8.092 638 HD3 LYS 88 HD2 LYS 88 8.352 -3.645 9.322 639 HE2 LYS 88 HE3 LYS 88 8.139 -6.554 10.050 640 HE3 LYS 88 HE2 LYS 88 9.728 -5.796 9.962 641 HZ1 LYS 88 HZ1 LYS 88 8.006 -5.695 12.079 642 HZ2 LYS 88 HZ2 LYS 88 7.839 -4.169 11.350 643 HZ3 LYS 88 HZ3 LYS 88 9.370 -4.713 11.849 644 H GLU 89 H GLU 89 4.833 -1.934 10.249 645 HA GLU 89 HA GLU 89 3.391 -1.000 7.796 646 HB2 GLU 89 HB3 GLU 89 3.032 -0.289 10.474 647 HB3 GLU 89 HB2 GLU 89 3.995 1.036 9.823 648 HG2 GLU 89 HG3 GLU 89 2.362 1.618 8.244 649 HG3 GLU 89 HG2 GLU 89 1.585 0.038 8.313 650 H VAL 90 H VAL 90 4.597 0.154 6.264 651 HA VAL 90 HA VAL 90 7.281 1.130 7.169 652 HB VAL 90 HB VAL 90 8.155 0.288 4.890 653 HG11 VAL 90 HG11 VAL 90 8.507 -2.009 5.821 654 HG12 VAL 90 HG12 VAL 90 7.333 -1.635 7.084 655 HG13 VAL 90 HG13 VAL 90 8.843 -0.726 6.985 656 HG21 VAL 90 HG21 VAL 90 6.783 -1.933 4.362 657 HG22 VAL 90 HG22 VAL 90 6.337 -0.398 3.626 658 HG23 VAL 90 HG23 VAL 90 5.447 -0.996 5.024 659 H PHE 91 H PHE 91 7.951 3.013 6.190 660 HA PHE 91 HA PHE 91 5.943 4.414 4.494 661 HB2 PHE 91 HB3 PHE 91 8.353 5.465 6.006 662 HB3 PHE 91 HB2 PHE 91 7.230 6.450 5.076 663 HD1 PHE 91 HD1 PHE 91 5.425 7.436 6.196 664 HD2 PHE 91 HD2 PHE 91 7.213 3.885 7.827 665 HE1 PHE 91 HE1 PHE 91 3.941 7.597 8.176 666 HE2 PHE 91 HE2 PHE 91 5.727 4.046 9.803 667 HZ PHE 91 HZ PHE 91 4.092 5.901 9.980 668 H LEU 92 H LEU 92 7.000 5.912 2.818 669 HA LEU 92 HA LEU 92 8.436 4.513 0.892 670 HB2 LEU 92 HB3 LEU 92 8.746 7.470 1.522 671 HB3 LEU 92 HB2 LEU 92 9.116 6.694 -0.017 672 HG LEU 92 HG LEU 92 6.357 6.435 1.168 673 HD11 LEU 92 HD11 LEU 92 6.872 8.851 1.158 674 HD12 LEU 92 HD12 LEU 92 5.677 8.452 -0.077 675 HD13 LEU 92 HD13 LEU 92 7.357 8.739 -0.534 676 HD21 LEU 92 HD21 LEU 92 6.943 5.053 -0.778 677 HD22 LEU 92 HD22 LEU 92 7.470 6.487 -1.658 678 HD23 LEU 92 HD23 LEU 92 5.768 6.280 -1.247 679 H GLU 93 H GLU 93 10.620 4.153 0.544 680 HA GLU 93 HA GLU 93 12.347 3.650 2.651 681 HB2 GLU 93 HB3 GLU 93 14.205 3.891 0.916 682 HB3 GLU 93 HB2 GLU 93 12.896 2.783 0.501 683 HG2 GLU 93 HG3 GLU 93 11.786 4.722 -0.714 684 HG3 GLU 93 HG2 GLU 93 13.289 5.617 -0.485 685 H GLN 94 H GLN 94 11.220 6.676 2.018 686 HA GLN 94 HA GLN 94 11.882 8.800 2.741 687 HB2 GLN 94 HB3 GLN 94 14.137 7.448 4.226 688 HB3 GLN 94 HB2 GLN 94 13.286 8.933 4.647 689 HG2 GLN 94 HG3 GLN 94 11.181 7.534 4.889 690 HG3 GLN 94 HG2 GLN 94 12.207 6.107 4.749 691 HE21 GLN 94 HE21 GLN 94 13.672 5.624 6.520 692 HE22 GLN 94 HE22 GLN 94 13.556 6.417 8.017 693 H ARG 95 H ARG 95 14.180 6.691 1.214 694 HA ARG 95 HA ARG 95 16.439 8.277 0.885 695 HB2 ARG 95 HB3 ARG 95 16.984 6.906 -0.900 696 HB3 ARG 95 HB2 ARG 95 15.702 5.944 -0.174 697 HG2 ARG 95 HG3 ARG 95 15.047 5.971 -2.410 698 HG3 ARG 95 HG2 ARG 95 14.124 7.320 -1.762 699 HD2 ARG 95 HD3 ARG 95 15.061 8.521 -3.455 700 HD3 ARG 95 HD2 ARG 95 16.516 8.529 -2.463 701 HE ARG 95 HE ARG 95 16.503 6.114 -3.955 702 HH11 ARG 95 HH11 ARG 95 17.750 5.983 -5.836 703 HH12 ARG 95 HH12 ARG 95 18.238 7.438 -6.639 704 HH21 ARG 95 HH21 ARG 95 16.679 9.534 -4.359 705 HH22 ARG 95 HH22 ARG 95 17.632 9.449 -5.802 706 H LEU 96 H LEU 96 13.281 8.675 -0.568 707 HA LEU 96 HA LEU 96 14.258 11.047 -2.093 708 HB2 LEU 96 HB3 LEU 96 11.990 10.950 -3.174 709 HB3 LEU 96 HB2 LEU 96 12.962 9.505 -3.435 710 HG LEU 96 HG LEU 96 11.772 8.526 -1.374 711 HD11 LEU 96 HD11 LEU 96 10.299 11.095 -1.756 712 HD12 LEU 96 HD12 LEU 96 10.603 10.178 -0.281 713 HD13 LEU 96 HD13 LEU 96 9.333 9.666 -1.387 714 HD21 LEU 96 HD21 LEU 96 10.299 9.133 -3.950 715 HD22 LEU 96 HD22 LEU 96 9.740 7.956 -2.763 716 HD23 LEU 96 HD23 LEU 96 11.278 7.711 -3.590 717 H ALA 97 H ALA 97 12.134 12.670 -2.192 718 HA ALA 97 HA ALA 97 11.159 13.097 0.584 719 HB1 ALA 97 HB1 ALA 97 12.500 15.282 -1.036 720 HB2 ALA 97 HB2 ALA 97 13.288 14.401 0.272 721 HB3 ALA 97 HB3 ALA 97 11.883 15.411 0.611 722 H ALA 98 H ALA 98 9.626 15.156 0.481 723 HA ALA 98 HA ALA 98 7.356 14.607 -0.975 724 HB1 ALA 98 HB1 ALA 98 8.361 17.420 -0.475 725 HB2 ALA 98 HB2 ALA 98 7.599 16.410 0.755 726 HB3 ALA 98 HB3 ALA 98 6.682 16.912 -0.665 727 HA PRO 99 HA PRO 99 9.111 14.913 -5.184 728 HB2 PRO 99 HB3 PRO 99 6.176 14.692 -5.750 729 HB3 PRO 99 HB2 PRO 99 7.536 13.829 -6.496 730 HG2 PRO 99 HG3 PRO 99 5.967 12.644 -4.705 731 HG3 PRO 99 HG2 PRO 99 7.709 12.326 -4.763 732 HD2 PRO 99 HD3 PRO 99 6.155 13.920 -2.777 733 HD3 PRO 99 HD2 PRO 99 7.668 13.010 -2.562 Start of MODEL 20 1 H1 MET 1 H1 MET 1 18.781 -7.186 -1.187 2 HA MET 1 HA MET 1 16.034 -6.729 -0.961 3 HB2 MET 1 HB3 MET 1 15.679 -6.485 1.364 4 HB3 MET 1 HB2 MET 1 16.475 -8.050 1.219 5 HG2 MET 1 HG3 MET 1 17.692 -5.420 2.088 6 HG3 MET 1 HG2 MET 1 17.601 -6.928 2.997 7 HE1 MET 1 HE1 MET 1 21.319 -6.720 2.640 8 HE2 MET 1 HE2 MET 1 20.166 -7.785 3.442 9 HE3 MET 1 HE3 MET 1 19.903 -6.042 3.456 10 H GLY 2 H GLY 2 15.958 -4.446 0.403 11 HA2 GLY 2 HA3 GLY 2 17.830 -2.737 -1.052 12 HA3 GLY 2 HA2 GLY 2 16.547 -2.185 0.027 13 H ASP 3 H ASP 3 17.776 -0.791 1.308 14 HA ASP 3 HA ASP 3 19.468 -2.075 3.323 15 HB2 ASP 3 HB3 ASP 3 21.415 -0.546 2.856 16 HB3 ASP 3 HB2 ASP 3 21.151 -1.765 1.609 17 H SER 4 H SER 4 17.544 -1.125 4.456 18 HA SER 4 HA SER 4 18.239 1.421 5.642 19 HB2 SER 4 HB3 SER 4 15.548 1.649 4.430 20 HB3 SER 4 HB2 SER 4 16.799 2.873 4.627 21 HG SER 4 HG SER 4 16.330 1.090 2.553 22 H ARG 5 H ARG 5 15.786 2.127 6.729 23 HA ARG 5 HA ARG 5 15.065 -0.339 8.270 24 HB2 ARG 5 HB3 ARG 5 14.273 2.241 9.446 25 HB3 ARG 5 HB2 ARG 5 15.141 0.893 10.180 26 HG2 ARG 5 HG3 ARG 5 17.214 1.628 9.020 27 HG3 ARG 5 HG2 ARG 5 16.335 3.010 8.366 28 HD2 ARG 5 HD3 ARG 5 17.418 3.854 10.299 29 HD3 ARG 5 HD2 ARG 5 15.754 3.581 10.808 30 HE ARG 5 HE ARG 5 18.104 1.953 11.604 31 HH11 ARG 5 HH11 ARG 5 17.723 0.613 13.375 32 HH12 ARG 5 HH12 ARG 5 16.109 0.420 13.971 33 HH21 ARG 5 HH21 ARG 5 14.696 2.533 11.618 34 HH22 ARG 5 HH22 ARG 5 14.399 1.506 12.979 35 H ASP 6 H ASP 6 13.759 2.650 6.848 36 HA ASP 6 HA ASP 6 10.993 1.891 7.290 37 HB2 ASP 6 HB3 ASP 6 12.322 4.221 6.562 38 HB3 ASP 6 HB2 ASP 6 11.489 3.764 5.077 39 H LEU 7 H LEU 7 13.345 1.395 4.735 40 HA LEU 7 HA LEU 7 11.470 0.611 2.707 41 HB2 LEU 7 HB3 LEU 7 13.321 0.307 1.399 42 HB3 LEU 7 HB2 LEU 7 14.132 1.148 2.709 43 HG LEU 7 HG LEU 7 15.460 -0.762 2.229 44 HD11 LEU 7 HD11 LEU 7 14.216 -0.482 4.755 45 HD12 LEU 7 HD12 LEU 7 15.758 -1.243 4.387 46 HD13 LEU 7 HD13 LEU 7 14.291 -2.213 4.425 47 HD21 LEU 7 HD21 LEU 7 14.674 -2.699 1.393 48 HD22 LEU 7 HD22 LEU 7 13.094 -1.927 1.324 49 HD23 LEU 7 HD23 LEU 7 13.536 -2.910 2.720 50 H CYS 8 H CYS 8 11.114 -1.610 1.925 51 HA CYS 8 HA CYS 8 11.384 -3.667 4.079 52 HB2 CYS 8 HB3 CYS 8 9.131 -3.772 4.246 53 HB3 CYS 8 HB2 CYS 8 8.947 -2.561 2.976 54 HA PRO 9 HA PRO 9 13.177 -6.396 1.128 55 HB2 PRO 9 HB3 PRO 9 11.670 -8.704 1.498 56 HB3 PRO 9 HB2 PRO 9 12.973 -8.178 2.570 57 HG2 PRO 9 HG3 PRO 9 10.049 -7.742 2.839 58 HG3 PRO 9 HG2 PRO 9 11.190 -8.279 4.074 59 HD2 PRO 9 HD3 PRO 9 10.406 -5.743 4.047 60 HD3 PRO 9 HD2 PRO 9 12.130 -6.108 4.298 61 H HIS 10 H HIS 10 9.670 -6.981 1.149 62 HA HIS 10 HA HIS 10 9.574 -7.600 -1.687 63 HB2 HIS 10 HB3 HIS 10 7.133 -6.793 -0.100 64 HB3 HIS 10 HB2 HIS 10 7.286 -8.000 -1.376 65 HD2 HIS 10 HD2 HIS 10 8.147 -10.539 -0.530 66 HE1 HIS 10 HE1 HIS 10 8.445 -9.617 3.576 67 HE2 HIS 10 HE2 HIS 10 8.514 -11.486 1.869 68 H LEU 11 H LEU 11 10.116 -4.769 -0.171 69 HA LEU 11 HA LEU 11 8.360 -2.947 -1.528 70 HB2 LEU 11 HB3 LEU 11 9.799 -2.501 0.526 71 HB3 LEU 11 HB2 LEU 11 11.166 -2.371 -0.572 72 HG LEU 11 HG LEU 11 8.642 -0.738 -0.928 73 HD11 LEU 11 HD11 LEU 11 9.712 -0.336 1.316 74 HD12 LEU 11 HD12 LEU 11 9.700 1.078 0.263 75 HD13 LEU 11 HD13 LEU 11 11.181 0.144 0.467 76 HD21 LEU 11 HD21 LEU 11 10.761 0.719 -1.901 77 HD22 LEU 11 HD22 LEU 11 9.748 -0.333 -2.884 78 HD23 LEU 11 HD23 LEU 11 11.285 -0.926 -2.258 79 H ASP 12 H ASP 12 11.509 -4.344 -2.332 80 HA ASP 12 HA ASP 12 11.832 -2.714 -4.729 81 HB2 ASP 12 HB3 ASP 12 13.773 -3.647 -3.504 82 HB3 ASP 12 HB2 ASP 12 13.223 -5.276 -3.899 83 H SER 13 H SER 13 10.209 -5.676 -3.939 84 HA SER 13 HA SER 13 10.188 -6.698 -6.679 85 HB2 SER 13 HB3 SER 13 10.003 -8.124 -4.586 86 HB3 SER 13 HB2 SER 13 8.366 -7.501 -4.399 87 HG SER 13 HG SER 13 8.181 -9.346 -5.581 88 H ILE 14 H ILE 14 8.325 -4.402 -4.893 89 HA ILE 14 HA ILE 14 5.980 -4.685 -6.699 90 HB ILE 14 HB ILE 14 5.054 -2.850 -5.264 91 HG12 ILE 14 HG13 ILE 14 7.408 -3.315 -3.457 92 HG13 ILE 14 HG12 ILE 14 7.489 -2.076 -4.704 93 HG21 ILE 14 HG21 ILE 14 4.924 -5.398 -4.790 94 HG22 ILE 14 HG22 ILE 14 4.554 -4.304 -3.459 95 HG23 ILE 14 HG23 ILE 14 6.131 -5.086 -3.546 96 HD11 ILE 14 HD11 ILE 14 5.133 -2.187 -2.832 97 HD12 ILE 14 HD12 ILE 14 5.755 -0.818 -3.756 98 HD13 ILE 14 HD13 ILE 14 6.632 -1.395 -2.340 99 H GLY 15 H GLY 15 8.906 -2.888 -6.519 100 HA2 GLY 15 HA3 GLY 15 9.692 -1.053 -7.760 101 HA3 GLY 15 HA2 GLY 15 8.497 -1.527 -8.969 102 H GLU 16 H GLU 16 7.799 0.595 -9.457 103 HA GLU 16 HA GLU 16 6.193 1.891 -7.295 104 HB2 GLU 16 HB3 GLU 16 8.095 3.296 -7.350 105 HB3 GLU 16 HB2 GLU 16 8.251 3.169 -9.100 106 HG2 GLU 16 HG3 GLU 16 5.721 4.344 -7.991 107 HG3 GLU 16 HG2 GLU 16 7.174 5.342 -7.964 108 H VAL 17 H VAL 17 4.142 2.220 -7.955 109 HA VAL 17 HA VAL 17 3.469 1.855 -10.812 110 HB VAL 17 HB VAL 17 1.099 2.029 -9.932 111 HG11 VAL 17 HG11 VAL 17 2.951 -0.007 -8.657 112 HG12 VAL 17 HG12 VAL 17 2.161 -0.153 -10.228 113 HG13 VAL 17 HG13 VAL 17 1.198 -0.165 -8.750 114 HG21 VAL 17 HG21 VAL 17 0.753 2.019 -7.531 115 HG22 VAL 17 HG22 VAL 17 1.757 3.412 -7.929 116 HG23 VAL 17 HG23 VAL 17 2.490 1.965 -7.238 117 H THR 18 H THR 18 1.321 3.528 -11.189 118 HA THR 18 HA THR 18 2.583 6.074 -11.636 119 HB THR 18 HB THR 18 -0.216 6.481 -11.637 120 HG1 THR 18 HG1 THR 18 0.364 4.042 -12.913 121 HG21 THR 18 HG21 THR 18 0.069 6.384 -14.097 122 HG22 THR 18 HG22 THR 18 1.661 5.659 -13.872 123 HG23 THR 18 HG23 THR 18 1.359 7.309 -13.325 124 H LYS 19 H LYS 19 2.764 7.798 -10.285 125 HA LYS 19 HA LYS 19 2.179 7.575 -7.504 126 HB2 LYS 19 HB3 LYS 19 2.165 10.352 -8.394 127 HB3 LYS 19 HB2 LYS 19 3.360 9.512 -7.406 128 HG2 LYS 19 HG3 LYS 19 4.017 8.432 -9.759 129 HG3 LYS 19 HG2 LYS 19 3.294 9.918 -10.370 130 HD2 LYS 19 HD3 LYS 19 5.466 10.655 -10.062 131 HD3 LYS 19 HD2 LYS 19 4.826 10.999 -8.455 132 HE2 LYS 19 HE3 LYS 19 5.579 8.621 -7.822 133 HE3 LYS 19 HE2 LYS 19 6.491 8.633 -9.331 134 HZ1 LYS 19 HZ1 LYS 19 6.804 10.972 -7.639 135 HZ2 LYS 19 HZ2 LYS 19 7.962 10.118 -8.541 136 HZ3 LYS 19 HZ3 LYS 19 7.460 9.532 -7.028 137 H GLU 20 H GLU 20 0.568 9.504 -10.020 138 HA GLU 20 HA GLU 20 -1.654 10.401 -8.658 139 HB2 GLU 20 HB3 GLU 20 -1.459 11.062 -10.901 140 HB3 GLU 20 HB2 GLU 20 -1.334 9.393 -11.463 141 HG2 GLU 20 HG3 GLU 20 -3.715 9.062 -10.635 142 HG3 GLU 20 HG2 GLU 20 -3.788 10.803 -10.378 143 H ASP 21 H ASP 21 -0.918 7.157 -9.790 144 HA ASP 21 HA ASP 21 -3.462 5.956 -9.434 145 HB2 ASP 21 HB3 ASP 21 -1.160 4.926 -10.235 146 HB3 ASP 21 HB2 ASP 21 -0.980 4.504 -8.535 147 H LEU 22 H LEU 22 -0.910 6.720 -7.122 148 HA LEU 22 HA LEU 22 -2.335 5.622 -4.845 149 HB2 LEU 22 HB3 LEU 22 -0.251 7.779 -4.615 150 HB3 LEU 22 HB2 LEU 22 -0.551 6.414 -3.539 151 HG LEU 22 HG LEU 22 0.636 6.288 -6.327 152 HD11 LEU 22 HD11 LEU 22 1.800 5.544 -3.626 153 HD12 LEU 22 HD12 LEU 22 2.142 7.052 -4.477 154 HD13 LEU 22 HD13 LEU 22 2.637 5.511 -5.178 155 HD21 LEU 22 HD21 LEU 22 -0.759 4.343 -6.025 156 HD22 LEU 22 HD22 LEU 22 -0.177 4.114 -4.377 157 HD23 LEU 22 HD23 LEU 22 0.904 3.836 -5.741 158 H LEU 23 H LEU 23 -2.406 8.506 -6.662 159 HA LEU 23 HA LEU 23 -3.681 10.142 -4.601 160 HB2 LEU 23 HB3 LEU 23 -3.480 10.565 -7.604 161 HB3 LEU 23 HB2 LEU 23 -3.833 11.799 -6.417 162 HG LEU 23 HG LEU 23 -1.233 10.268 -6.756 163 HD11 LEU 23 HD11 LEU 23 -1.403 13.248 -6.515 164 HD12 LEU 23 HD12 LEU 23 -2.021 12.540 -8.006 165 HD13 LEU 23 HD13 LEU 23 -0.349 12.258 -7.523 166 HD21 LEU 23 HD21 LEU 23 -1.439 10.373 -4.406 167 HD22 LEU 23 HD22 LEU 23 -2.262 11.934 -4.449 168 HD23 LEU 23 HD23 LEU 23 -0.536 11.837 -4.790 169 H LEU 24 H LEU 24 -4.842 8.681 -7.710 170 HA LEU 24 HA LEU 24 -7.587 9.272 -7.132 171 HB2 LEU 24 HB3 LEU 24 -8.184 7.618 -8.799 172 HB3 LEU 24 HB2 LEU 24 -6.824 8.572 -9.400 173 HG LEU 24 HG LEU 24 -5.478 6.543 -8.193 174 HD11 LEU 24 HD11 LEU 24 -6.588 4.440 -8.549 175 HD12 LEU 24 HD12 LEU 24 -7.921 5.217 -9.398 176 HD13 LEU 24 HD13 LEU 24 -7.730 5.447 -7.664 177 HD21 LEU 24 HD21 LEU 24 -6.648 6.684 -10.982 178 HD22 LEU 24 HD22 LEU 24 -5.428 5.501 -10.514 179 HD23 LEU 24 HD23 LEU 24 -5.053 7.223 -10.462 180 H LYS 25 H LYS 25 -5.535 6.422 -6.444 181 HA LYS 25 HA LYS 25 -7.462 4.758 -5.271 182 HB2 LYS 25 HB3 LYS 25 -4.577 5.313 -4.560 183 HB3 LYS 25 HB2 LYS 25 -5.531 4.156 -3.637 184 HG2 LYS 25 HG3 LYS 25 -5.861 2.751 -5.524 185 HG3 LYS 25 HG2 LYS 25 -5.359 4.009 -6.649 186 HD2 LYS 25 HD3 LYS 25 -3.074 3.800 -6.035 187 HD3 LYS 25 HD2 LYS 25 -3.464 2.897 -4.577 188 HE2 LYS 25 HE3 LYS 25 -4.382 1.068 -6.063 189 HE3 LYS 25 HE2 LYS 25 -3.735 1.955 -7.442 190 HZ1 LYS 25 HZ1 LYS 25 -1.733 1.763 -5.498 191 HZ2 LYS 25 HZ2 LYS 25 -1.765 1.068 -7.048 192 HZ3 LYS 25 HZ3 LYS 25 -2.388 0.215 -5.717 193 H SER 26 H SER 26 -5.733 7.520 -3.883 194 HA SER 26 HA SER 26 -7.058 7.467 -1.319 195 HB2 SER 26 HB3 SER 26 -4.866 8.719 -2.103 196 HB3 SER 26 HB2 SER 26 -5.982 9.974 -2.602 197 HG SER 26 HG SER 26 -5.631 10.494 -0.549 198 H LYS 27 H LYS 27 -8.498 7.669 -4.170 199 HA LYS 27 HA LYS 27 -9.876 10.060 -4.412 200 HB2 LYS 27 HB3 LYS 27 -11.866 8.540 -5.198 201 HB3 LYS 27 HB2 LYS 27 -10.371 8.583 -6.125 202 HG2 LYS 27 HG3 LYS 27 -9.826 6.427 -5.613 203 HG3 LYS 27 HG2 LYS 27 -10.437 6.555 -3.956 204 HD2 LYS 27 HD3 LYS 27 -11.836 5.002 -5.200 205 HD3 LYS 27 HD2 LYS 27 -12.769 6.468 -4.892 206 HE2 LYS 27 HE3 LYS 27 -12.224 7.301 -7.145 207 HE3 LYS 27 HE2 LYS 27 -11.266 5.855 -7.455 208 HZ1 LYS 27 HZ1 LYS 27 -13.092 4.589 -7.729 209 HZ2 LYS 27 HZ2 LYS 27 -13.826 6.074 -8.111 210 HZ3 LYS 27 HZ3 LYS 27 -13.993 5.416 -6.554 211 H GLY 28 H GLY 28 -10.936 7.304 -2.302 212 HA2 GLY 28 HA3 GLY 28 -11.663 8.471 -0.059 213 HA3 GLY 28 HA2 GLY 28 -12.881 9.200 -1.090 214 H THR 29 H THR 29 -12.166 6.055 -2.156 215 HA THR 29 HA THR 29 -13.971 4.728 -0.277 216 HB THR 29 HB THR 29 -15.264 4.267 -2.723 217 HG1 THR 29 HG1 THR 29 -14.282 6.125 -3.535 218 HG21 THR 29 HG21 THR 29 -16.112 6.185 -0.545 219 HG22 THR 29 HG22 THR 29 -16.235 4.432 -0.404 220 HG23 THR 29 HG23 THR 29 -17.164 5.284 -1.636 221 H CYS 30 H CYS 30 -14.021 2.473 -0.542 222 HA CYS 30 HA CYS 30 -11.737 1.215 -1.754 223 HB2 CYS 30 HB3 CYS 30 -12.986 0.213 0.156 224 HB3 CYS 30 HB2 CYS 30 -14.379 -0.021 -0.898 225 H GLN 31 H GLN 31 -11.585 0.213 -3.819 226 HA GLN 31 HA GLN 31 -13.594 1.075 -5.751 227 HB2 GLN 31 HB3 GLN 31 -12.197 -0.210 -7.389 228 HB3 GLN 31 HB2 GLN 31 -11.319 1.043 -6.520 229 HG2 GLN 31 HG3 GLN 31 -9.893 -0.862 -6.481 230 HG3 GLN 31 HG2 GLN 31 -10.622 -0.809 -4.882 231 HE21 GLN 31 HE21 GLN 31 -10.161 -3.211 -4.834 232 HE22 GLN 31 HE22 GLN 31 -11.250 -4.266 -5.598 233 H SER 32 H SER 32 -13.252 -1.658 -3.738 234 HA SER 32 HA SER 32 -15.125 -3.209 -5.488 235 HB2 SER 32 HB3 SER 32 -13.117 -4.116 -3.421 236 HB3 SER 32 HB2 SER 32 -14.377 -5.174 -4.053 237 HG SER 32 HG SER 32 -13.244 -3.961 -6.108 238 H CYS 33 H CYS 33 -14.868 -1.458 -2.560 239 HA CYS 33 HA CYS 33 -17.453 -2.664 -1.637 240 HB2 CYS 33 HB3 CYS 33 -15.280 -1.550 0.156 241 HB3 CYS 33 HB2 CYS 33 -16.766 -2.335 0.664 242 H GLY 34 H GLY 34 -15.632 0.240 -2.329 243 HA2 GLY 34 HA3 GLY 34 -16.282 2.501 -2.193 244 HA3 GLY 34 HA2 GLY 34 -17.918 1.899 -2.462 245 H VAL 35 H VAL 35 -15.494 2.043 0.145 246 HA VAL 35 HA VAL 35 -17.701 2.246 2.125 247 HB VAL 35 HB VAL 35 -15.995 1.616 3.783 248 HG11 VAL 35 HG11 VAL 35 -16.905 -0.337 2.956 249 HG12 VAL 35 HG12 VAL 35 -15.238 -0.574 2.431 250 HG13 VAL 35 HG13 VAL 35 -16.447 0.019 1.294 251 HG21 VAL 35 HG21 VAL 35 -14.025 2.682 2.963 252 HG22 VAL 35 HG22 VAL 35 -14.163 1.900 1.389 253 HG23 VAL 35 HG23 VAL 35 -13.716 0.959 2.808 254 H THR 36 H THR 36 -14.538 3.863 1.427 255 HA THR 36 HA THR 36 -15.378 6.491 1.700 256 HB THR 36 HB THR 36 -16.242 6.156 3.912 257 HG1 THR 36 HG1 THR 36 -13.982 7.058 4.963 258 HG21 THR 36 HG21 THR 36 -14.550 5.241 5.682 259 HG22 THR 36 HG22 THR 36 -13.726 4.549 4.286 260 HG23 THR 36 HG23 THR 36 -15.392 4.094 4.642 261 H GLY 37 H GLY 37 -13.414 7.852 2.846 262 HA2 GLY 37 HA3 GLY 37 -10.999 6.877 1.462 263 HA3 GLY 37 HA2 GLY 37 -11.237 8.489 2.102 264 HA PRO 38 HA PRO 38 -9.147 7.918 5.871 265 HB2 PRO 38 HB3 PRO 38 -11.314 7.455 7.704 266 HB3 PRO 38 HB2 PRO 38 -10.356 8.924 7.481 267 HG2 PRO 38 HG3 PRO 38 -13.024 8.276 6.466 268 HG3 PRO 38 HG2 PRO 38 -12.236 9.851 6.633 269 HD2 PRO 38 HD3 PRO 38 -12.691 8.660 4.209 270 HD3 PRO 38 HD2 PRO 38 -11.344 9.781 4.498 271 H ASN 39 H ASN 39 -8.078 6.178 6.470 272 HA ASN 39 HA ASN 39 -7.616 4.013 7.224 273 HB2 ASN 39 HB3 ASN 39 -10.071 4.446 8.302 274 HB3 ASN 39 HB2 ASN 39 -10.447 3.110 7.211 275 HD21 ASN 39 HD21 ASN 39 -7.672 1.971 7.451 276 HD22 ASN 39 HD22 ASN 39 -7.611 1.252 8.988 277 H LEU 40 H LEU 40 -8.237 4.814 4.326 278 HA LEU 40 HA LEU 40 -9.258 2.326 3.171 279 HB2 LEU 40 HB3 LEU 40 -8.170 4.894 2.071 280 HB3 LEU 40 HB2 LEU 40 -8.136 3.481 1.030 281 HG LEU 40 HG LEU 40 -10.562 4.803 2.277 282 HD11 LEU 40 HD11 LEU 40 -9.521 5.689 0.138 283 HD12 LEU 40 HD12 LEU 40 -11.202 5.180 -0.018 284 HD13 LEU 40 HD13 LEU 40 -9.910 4.141 -0.601 285 HD21 LEU 40 HD21 LEU 40 -10.192 2.040 1.161 286 HD22 LEU 40 HD22 LEU 40 -11.672 2.902 0.747 287 HD23 LEU 40 HD23 LEU 40 -11.279 2.594 2.435 288 H TRP 41 H TRP 41 -7.740 1.294 1.405 289 HA TRP 41 HA TRP 41 -4.896 1.347 2.018 290 HB2 TRP 41 HB3 TRP 41 -6.546 -0.432 3.523 291 HB3 TRP 41 HB2 TRP 41 -5.618 -1.413 2.392 292 HD1 TRP 41 HD TRP 41 -2.909 0.006 2.268 293 HE1 TRP 41 HE1 TRP 41 -1.366 0.173 4.327 294 HE3 TRP 41 HE3 TRP 41 -6.324 -0.709 5.992 295 HZ2 TRP 41 HZ2 TRP 41 -1.560 0.025 7.180 296 HZ3 TRP 41 HZ3 TRP 41 -5.623 -0.693 8.366 297 HH2 TRP 41 HH2 TRP 41 -3.245 -0.329 8.965 298 H ALA 42 H ALA 42 -4.576 1.639 -0.189 299 HA ALA 42 HA ALA 42 -5.783 -0.271 -2.075 300 HB1 ALA 42 HB1 ALA 42 -5.664 2.122 -2.661 301 HB2 ALA 42 HB2 ALA 42 -4.736 1.144 -3.795 302 HB3 ALA 42 HB3 ALA 42 -3.908 2.061 -2.536 303 H CYS 43 H CYS 43 -4.643 -1.781 -3.251 304 HA CYS 43 HA CYS 43 -2.295 -2.924 -2.106 305 HB2 CYS 43 HB3 CYS 43 -4.103 -3.847 -3.838 306 HB3 CYS 43 HB2 CYS 43 -2.897 -3.322 -5.013 307 H LEU 44 H LEU 44 -0.093 -2.860 -2.916 308 HA LEU 44 HA LEU 44 0.470 -0.578 -4.764 309 HB2 LEU 44 HB3 LEU 44 0.821 -0.072 -2.276 310 HB3 LEU 44 HB2 LEU 44 2.158 -1.216 -2.345 311 HG LEU 44 HG LEU 44 2.852 0.241 -4.468 312 HD11 LEU 44 HD11 LEU 44 0.714 1.625 -4.172 313 HD12 LEU 44 HD12 LEU 44 2.216 2.531 -4.345 314 HD13 LEU 44 HD13 LEU 44 1.490 2.323 -2.751 315 HD21 LEU 44 HD21 LEU 44 4.325 1.529 -3.031 316 HD22 LEU 44 HD22 LEU 44 4.137 -0.075 -2.326 317 HD23 LEU 44 HD23 LEU 44 3.254 1.293 -1.651 318 H GLN 45 H GLN 45 0.421 -3.352 -5.539 319 HA GLN 45 HA GLN 45 3.273 -4.128 -5.601 320 HB2 GLN 45 HB3 GLN 45 1.267 -5.652 -7.190 321 HB3 GLN 45 HB2 GLN 45 2.611 -6.234 -6.201 322 HG2 GLN 45 HG3 GLN 45 0.104 -4.992 -5.048 323 HG3 GLN 45 HG2 GLN 45 0.333 -6.724 -5.250 324 HE21 GLN 45 HE21 GLN 45 1.454 -3.885 -3.444 325 HE22 GLN 45 HE22 GLN 45 2.320 -4.755 -2.273 326 H VAL 46 H VAL 46 4.486 -4.251 -7.475 327 HA VAL 46 HA VAL 46 4.496 -2.235 -9.313 328 HB VAL 46 HB VAL 46 6.170 -4.159 -9.041 329 HG11 VAL 46 HG11 VAL 46 4.589 -5.402 -11.291 330 HG12 VAL 46 HG12 VAL 46 4.333 -5.876 -9.611 331 HG13 VAL 46 HG13 VAL 46 5.912 -6.106 -10.362 332 HG21 VAL 46 HG21 VAL 46 5.424 -3.231 -11.832 333 HG22 VAL 46 HG22 VAL 46 6.991 -3.884 -11.355 334 HG23 VAL 46 HG23 VAL 46 6.439 -2.346 -10.693 335 H ALA 47 H ALA 47 2.116 -4.789 -9.319 336 HA ALA 47 HA ALA 47 0.966 -3.555 -11.763 337 HB1 ALA 47 HB1 ALA 47 1.765 -6.455 -11.511 338 HB2 ALA 47 HB2 ALA 47 2.214 -5.306 -12.770 339 HB3 ALA 47 HB3 ALA 47 0.560 -5.911 -12.679 340 H CYS 48 H CYS 48 -0.018 -3.405 -9.082 341 HA CYS 48 HA CYS 48 -2.587 -4.881 -9.465 342 HB2 CYS 48 HB3 CYS 48 -0.985 -5.898 -7.692 343 HB3 CYS 48 HB2 CYS 48 -1.412 -4.487 -6.722 344 HA PRO 49 HA PRO 49 -3.388 -0.458 -8.499 345 HB2 PRO 49 HB3 PRO 49 -4.776 0.189 -10.715 346 HB3 PRO 49 HB2 PRO 49 -3.004 0.095 -10.727 347 HG2 PRO 49 HG3 PRO 49 -5.004 -1.822 -11.795 348 HG3 PRO 49 HG2 PRO 49 -3.394 -1.409 -12.407 349 HD2 PRO 49 HD3 PRO 49 -4.042 -3.681 -10.849 350 HD3 PRO 49 HD2 PRO 49 -2.405 -3.077 -11.187 351 H TYR 50 H TYR 50 -4.880 -0.862 -6.824 352 HA TYR 50 HA TYR 50 -7.695 -0.708 -7.490 353 HB2 TYR 50 HB3 TYR 50 -6.550 -3.299 -6.415 354 HB3 TYR 50 HB2 TYR 50 -8.243 -2.858 -6.202 355 HD1 TYR 50 HD1 TYR 50 -5.997 -4.571 -8.291 356 HD2 TYR 50 HD2 TYR 50 -9.423 -1.985 -8.451 357 HE1 TYR 50 HE1 TYR 50 -6.499 -5.379 -10.580 358 HE2 TYR 50 HE2 TYR 50 -9.925 -2.794 -10.740 359 HH TYR 50 HH TYR 50 -8.096 -3.997 -12.705 360 H VAL 51 H VAL 51 -8.724 0.277 -5.736 361 HA VAL 51 HA VAL 51 -7.052 0.601 -3.306 362 HB VAL 51 HB VAL 51 -7.616 2.719 -4.134 363 HG11 VAL 51 HG11 VAL 51 -10.459 1.702 -4.444 364 HG12 VAL 51 HG12 VAL 51 -9.314 1.980 -5.756 365 HG13 VAL 51 HG13 VAL 51 -9.915 3.338 -4.807 366 HG21 VAL 51 HG21 VAL 51 -8.624 3.667 -2.302 367 HG22 VAL 51 HG22 VAL 51 -8.350 2.056 -1.643 368 HG23 VAL 51 HG23 VAL 51 -9.938 2.493 -2.273 369 H GLY 52 H GLY 52 -7.477 -1.126 -2.028 370 HA2 GLY 52 HA3 GLY 52 -10.214 -2.104 -1.684 371 HA3 GLY 52 HA2 GLY 52 -8.777 -2.761 -0.914 372 H CYS 53 H CYS 53 -10.526 -2.690 0.897 373 HA CYS 53 HA CYS 53 -10.709 -0.032 2.211 374 HB2 CYS 53 HB3 CYS 53 -11.917 -1.787 3.919 375 HB3 CYS 53 HB2 CYS 53 -12.785 -0.953 2.657 376 H GLY 54 H GLY 54 -10.527 -0.162 4.576 377 HA2 GLY 54 HA3 GLY 54 -8.234 -1.867 5.458 378 HA3 GLY 54 HA2 GLY 54 -8.516 -0.218 6.065 379 H GLU 55 H GLU 55 -8.645 -2.688 7.715 380 HA GLU 55 HA GLU 55 -10.897 -3.940 8.322 381 HB2 GLU 55 HB3 GLU 55 -10.646 -3.553 10.663 382 HB3 GLU 55 HB2 GLU 55 -9.029 -3.487 9.969 383 HG2 GLU 55 HG3 GLU 55 -9.410 -0.946 9.775 384 HG3 GLU 55 HG2 GLU 55 -10.763 -1.195 10.879 385 H SER 56 H SER 56 -10.683 -0.453 8.442 386 HA SER 56 HA SER 56 -12.963 0.512 9.519 387 HB2 SER 56 HB3 SER 56 -11.477 1.130 7.072 388 HB3 SER 56 HB2 SER 56 -13.170 1.572 6.948 389 HG SER 56 HG SER 56 -12.189 2.214 9.378 390 H PHE 57 H PHE 57 -12.838 -1.356 6.489 391 HA PHE 57 HA PHE 57 -15.794 -1.812 6.756 392 HB2 PHE 57 HB3 PHE 57 -15.235 -0.602 4.702 393 HB3 PHE 57 HB2 PHE 57 -14.112 -1.859 4.249 394 HD1 PHE 57 HD1 PHE 57 -14.887 -3.522 2.799 395 HD2 PHE 57 HD2 PHE 57 -17.668 -1.526 5.393 396 HE1 PHE 57 HE1 PHE 57 -16.748 -4.819 1.801 397 HE2 PHE 57 HE2 PHE 57 -19.530 -2.825 4.395 398 HZ PHE 57 HZ PHE 57 -19.070 -4.472 2.598 399 H ALA 58 H ALA 58 -13.777 -3.501 4.524 400 HA ALA 58 HA ALA 58 -13.978 -5.982 6.203 401 HB1 ALA 58 HB1 ALA 58 -14.276 -7.264 4.159 402 HB2 ALA 58 HB2 ALA 58 -14.046 -5.820 3.174 403 HB3 ALA 58 HB3 ALA 58 -15.481 -5.978 4.186 404 H ASP 59 H ASP 59 -11.866 -3.792 5.547 405 HA ASP 59 HA ASP 59 -9.585 -3.685 4.973 406 HB2 ASP 59 HB3 ASP 59 -8.253 -5.422 6.177 407 HB3 ASP 59 HB2 ASP 59 -9.422 -4.646 7.187 408 H HIS 60 H HIS 60 -10.501 -4.355 2.585 409 HA HIS 60 HA HIS 60 -10.067 -6.941 1.558 410 HB2 HIS 60 HB3 HIS 60 -10.007 -4.229 0.435 411 HB3 HIS 60 HB2 HIS 60 -8.946 -5.329 -0.413 412 HD2 HIS 60 HD2 HIS 60 -10.574 -7.972 -0.802 413 HE1 HIS 60 HE1 HIS 60 -13.935 -5.654 -1.859 414 HE2 HIS 60 HE2 HIS 60 -12.912 -7.968 -1.946 415 H SER 61 H SER 61 -7.840 -4.452 2.568 416 HA SER 61 HA SER 61 -5.386 -5.333 1.556 417 HB2 SER 61 HB3 SER 61 -6.177 -3.495 3.430 418 HB3 SER 61 HB2 SER 61 -5.353 -4.673 4.443 419 HG SER 61 HG SER 61 -3.727 -4.498 2.555 420 H THR 62 H THR 62 -7.470 -6.897 3.869 421 HA THR 62 HA THR 62 -5.358 -8.722 4.774 422 HB THR 62 HB THR 62 -8.231 -9.202 5.317 423 HG1 THR 62 HG1 THR 62 -6.662 -7.088 6.349 424 HG21 THR 62 HG21 THR 62 -7.418 -10.017 7.409 425 HG22 THR 62 HG22 THR 62 -5.860 -9.220 7.187 426 HG23 THR 62 HG23 THR 62 -6.291 -10.606 6.187 427 H ILE 63 H ILE 63 -8.651 -9.280 3.491 428 HA ILE 63 HA ILE 63 -8.108 -11.919 2.645 429 HB ILE 63 HB ILE 63 -10.134 -11.614 1.152 430 HG12 ILE 63 HG13 ILE 63 -10.364 -8.970 2.592 431 HG13 ILE 63 HG12 ILE 63 -9.641 -9.110 0.992 432 HG21 ILE 63 HG21 ILE 63 -10.451 -12.534 3.348 433 HG22 ILE 63 HG22 ILE 63 -11.668 -11.271 3.161 434 HG23 ILE 63 HG23 ILE 63 -10.214 -10.962 4.110 435 HD11 ILE 63 HD11 ILE 63 -11.659 -9.905 0.023 436 HD12 ILE 63 HD12 ILE 63 -12.153 -8.572 1.068 437 HD13 ILE 63 HD13 ILE 63 -12.372 -10.238 1.601 438 H HIS 64 H HIS 64 -7.751 -8.841 1.061 439 HA HIS 64 HA HIS 64 -7.199 -9.886 -1.579 440 HB2 HIS 64 HB3 HIS 64 -7.876 -7.518 -1.210 441 HB3 HIS 64 HB2 HIS 64 -6.351 -7.234 -0.368 442 HD1 HIS 64 HD1 HIS 64 -7.815 -7.240 -3.710 443 HD2 HIS 64 HD2 HIS 64 -4.005 -7.759 -2.102 444 HE1 HIS 64 HE1 HIS 64 -6.183 -6.964 -5.629 445 H ALA 65 H ALA 65 -5.173 -8.840 1.168 446 HA ALA 65 HA ALA 65 -2.682 -9.534 -0.202 447 HB1 ALA 65 HB1 ALA 65 -2.721 -7.894 1.669 448 HB2 ALA 65 HB2 ALA 65 -1.659 -9.253 2.037 449 HB3 ALA 65 HB3 ALA 65 -3.262 -9.170 2.761 450 H GLN 66 H GLN 66 -5.150 -11.083 1.528 451 HA GLN 66 HA GLN 66 -3.683 -13.482 2.322 452 HB2 GLN 66 HB3 GLN 66 -5.526 -12.703 3.644 453 HB3 GLN 66 HB2 GLN 66 -6.536 -12.582 2.233 454 HG2 GLN 66 HG3 GLN 66 -7.372 -14.539 2.988 455 HG3 GLN 66 HG2 GLN 66 -6.005 -15.214 2.105 456 HE21 GLN 66 HE21 GLN 66 -7.301 -14.617 5.314 457 HE22 GLN 66 HE22 GLN 66 -6.065 -15.406 6.169 458 H ALA 67 H ALA 67 -5.844 -12.515 -0.322 459 HA ALA 67 HA ALA 67 -5.956 -15.258 -1.370 460 HB1 ALA 67 HB1 ALA 67 -8.007 -14.250 -1.728 461 HB2 ALA 67 HB2 ALA 67 -7.224 -13.889 -3.266 462 HB3 ALA 67 HB3 ALA 67 -7.297 -12.661 -2.002 463 H LYS 68 H LYS 68 -4.671 -12.102 -2.347 464 HA LYS 68 HA LYS 68 -3.279 -13.383 -4.638 465 HB2 LYS 68 HB3 LYS 68 -3.435 -10.464 -3.832 466 HB3 LYS 68 HB2 LYS 68 -2.809 -11.100 -5.352 467 HG2 LYS 68 HG3 LYS 68 -4.957 -10.696 -6.073 468 HG3 LYS 68 HG2 LYS 68 -5.243 -12.283 -5.357 469 HD2 LYS 68 HD3 LYS 68 -5.983 -11.260 -3.275 470 HD3 LYS 68 HD2 LYS 68 -5.592 -9.660 -3.890 471 HE2 LYS 68 HE3 LYS 68 -8.012 -10.137 -4.091 472 HE3 LYS 68 HE2 LYS 68 -7.262 -9.913 -5.673 473 HZ1 LYS 68 HZ1 LYS 68 -7.428 -12.115 -6.171 474 HZ2 LYS 68 HZ2 LYS 68 -8.805 -11.950 -5.189 475 HZ3 LYS 68 HZ3 LYS 68 -7.377 -12.617 -4.551 476 H LYS 69 H LYS 69 -2.717 -13.018 -1.473 477 HA LYS 69 HA LYS 69 -0.803 -13.013 -0.143 478 HB2 LYS 69 HB3 LYS 69 0.047 -14.212 -2.741 479 HB3 LYS 69 HB2 LYS 69 1.319 -13.763 -1.606 480 HG2 LYS 69 HG3 LYS 69 0.449 -16.139 -1.371 481 HG3 LYS 69 HG2 LYS 69 0.418 -15.178 0.106 482 HD2 LYS 69 HD3 LYS 69 -1.896 -14.991 0.105 483 HD3 LYS 69 HD2 LYS 69 -2.016 -15.152 -1.647 484 HE2 LYS 69 HE3 LYS 69 -2.791 -17.150 -0.184 485 HE3 LYS 69 HE2 LYS 69 -1.758 -17.492 -1.570 486 HZ1 LYS 69 HZ1 LYS 69 -0.863 -18.657 0.260 487 HZ2 LYS 69 HZ2 LYS 69 -0.961 -17.300 1.278 488 HZ3 LYS 69 HZ3 LYS 69 0.161 -17.330 0.002 489 H HIS 70 H HIS 70 -1.467 -10.589 -2.034 490 HA HIS 70 HA HIS 70 1.151 -9.329 -2.419 491 HB2 HIS 70 HB3 HIS 70 -1.647 -8.132 -2.359 492 HB3 HIS 70 HB2 HIS 70 -0.190 -7.271 -2.839 493 HD2 HIS 70 HD2 HIS 70 0.685 -10.397 -4.400 494 HE1 HIS 70 HE1 HIS 70 -2.138 -8.866 -7.139 495 HE2 HIS 70 HE2 HIS 70 -0.294 -10.574 -6.809 496 H ASN 71 H ASN 71 2.362 -8.646 -0.682 497 HA ASN 71 HA ASN 71 1.020 -8.346 1.923 498 HB2 ASN 71 HB3 ASN 71 3.487 -7.949 2.624 499 HB3 ASN 71 HB2 ASN 71 2.986 -9.562 2.123 500 HD21 ASN 71 HD21 ASN 71 3.285 -9.965 -0.366 501 HD22 ASN 71 HD22 ASN 71 4.698 -9.332 -1.064 502 H LEU 72 H LEU 72 2.957 -6.309 -0.265 503 HA LEU 72 HA LEU 72 2.780 -4.048 1.554 504 HB2 LEU 72 HB3 LEU 72 3.756 -4.320 -1.285 505 HB3 LEU 72 HB2 LEU 72 3.838 -2.817 -0.368 506 HG LEU 72 HG LEU 72 4.972 -5.414 0.677 507 HD11 LEU 72 HD11 LEU 72 6.203 -3.325 -1.114 508 HD12 LEU 72 HD12 LEU 72 6.228 -5.077 -1.292 509 HD13 LEU 72 HD13 LEU 72 7.200 -4.307 -0.040 510 HD21 LEU 72 HD21 LEU 72 4.840 -3.927 2.477 511 HD22 LEU 72 HD22 LEU 72 5.077 -2.509 1.461 512 HD23 LEU 72 HD23 LEU 72 6.442 -3.550 1.853 513 H THR 73 H THR 73 1.369 -2.480 1.619 514 HA THR 73 HA THR 73 -0.333 -1.763 -0.673 515 HB THR 73 HB THR 73 -2.417 -2.113 0.418 516 HG1 THR 73 HG1 THR 73 -1.193 -2.918 2.806 517 HG21 THR 73 HG21 THR 73 -0.710 -4.451 1.313 518 HG22 THR 73 HG22 THR 73 -1.322 -4.233 -0.327 519 HG23 THR 73 HG23 THR 73 -2.446 -4.471 1.010 520 H VAL 74 H VAL 74 -1.361 0.431 -0.172 521 HA VAL 74 HA VAL 74 0.163 1.779 2.028 522 HB VAL 74 HB VAL 74 1.124 2.585 0.037 523 HG11 VAL 74 HG11 VAL 74 -0.340 3.429 -1.848 524 HG12 VAL 74 HG12 VAL 74 -1.726 2.753 -0.995 525 HG13 VAL 74 HG13 VAL 74 -0.446 1.691 -1.576 526 HG21 VAL 74 HG21 VAL 74 0.194 4.338 1.694 527 HG22 VAL 74 HG22 VAL 74 -1.075 4.612 0.502 528 HG23 VAL 74 HG23 VAL 74 0.610 4.905 0.078 529 H ASN 75 H ASN 75 -0.991 2.764 3.521 530 HA ASN 75 HA ASN 75 -3.905 2.911 3.288 531 HB2 ASN 75 HB3 ASN 75 -2.538 2.360 5.416 532 HB3 ASN 75 HB2 ASN 75 -2.241 4.096 5.513 533 HD21 ASN 75 HD21 ASN 75 -5.026 4.494 4.196 534 HD22 ASN 75 HD22 ASN 75 -6.107 4.299 5.490 535 H LEU 76 H LEU 76 -4.549 4.520 1.897 536 HA LEU 76 HA LEU 76 -3.164 7.044 1.644 537 HB2 LEU 76 HB3 LEU 76 -6.040 6.489 0.895 538 HB3 LEU 76 HB2 LEU 76 -4.938 7.655 0.166 539 HG LEU 76 HG LEU 76 -3.778 4.989 0.100 540 HD11 LEU 76 HD11 LEU 76 -5.315 3.868 -1.352 541 HD12 LEU 76 HD12 LEU 76 -6.369 5.276 -1.423 542 HD13 LEU 76 HD13 LEU 76 -6.217 4.363 0.077 543 HD21 LEU 76 HD21 LEU 76 -3.364 7.147 -1.331 544 HD22 LEU 76 HD22 LEU 76 -4.680 6.514 -2.318 545 HD23 LEU 76 HD23 LEU 76 -3.221 5.561 -2.084 546 H THR 77 H THR 77 -4.369 5.986 4.298 547 HA THR 77 HA THR 77 -6.076 8.297 5.039 548 HB THR 77 HB THR 77 -5.234 5.885 6.676 549 HG1 THR 77 HG1 THR 77 -6.776 5.952 4.619 550 HG21 THR 77 HG21 THR 77 -7.319 6.591 7.975 551 HG22 THR 77 HG22 THR 77 -7.238 8.109 7.079 552 HG23 THR 77 HG23 THR 77 -5.911 7.639 8.138 553 H THR 78 H THR 78 -2.998 6.748 5.799 554 HA THR 78 HA THR 78 -2.188 9.228 7.269 555 HB THR 78 HB THR 78 -1.160 6.416 7.723 556 HG1 THR 78 HG1 THR 78 -3.147 6.409 8.564 557 HG21 THR 78 HG21 THR 78 0.515 7.993 8.352 558 HG22 THR 78 HG22 THR 78 -0.304 7.544 9.849 559 HG23 THR 78 HG23 THR 78 -0.677 9.080 9.066 560 H PHE 79 H PHE 79 -1.506 7.161 4.625 561 HA PHE 79 HA PHE 79 0.068 7.500 2.904 562 HB2 PHE 79 HB3 PHE 79 0.048 9.946 4.031 563 HB3 PHE 79 HB2 PHE 79 1.685 9.460 4.469 564 HD1 PHE 79 HD1 PHE 79 3.310 8.786 2.678 565 HD2 PHE 79 HD2 PHE 79 -0.542 10.458 1.769 566 HE1 PHE 79 HE1 PHE 79 4.067 9.278 0.369 567 HE2 PHE 79 HE2 PHE 79 0.217 10.951 -0.540 568 HZ PHE 79 HZ PHE 79 2.522 10.360 -1.240 569 H ARG 80 H ARG 80 0.405 5.340 4.381 570 HA ARG 80 HA ARG 80 3.350 5.090 4.577 571 HB2 ARG 80 HB3 ARG 80 2.580 3.470 6.647 572 HB3 ARG 80 HB2 ARG 80 3.223 5.092 6.860 573 HG2 ARG 80 HG3 ARG 80 1.110 6.017 7.254 574 HG3 ARG 80 HG2 ARG 80 0.272 4.728 6.389 575 HD2 ARG 80 HD3 ARG 80 0.477 3.220 8.171 576 HD3 ARG 80 HD2 ARG 80 1.819 4.101 8.894 577 HE ARG 80 HE ARG 80 0.215 5.779 9.692 578 HH11 ARG 80 HH11 ARG 80 -1.798 6.022 10.671 579 HH12 ARG 80 HH12 ARG 80 -3.047 4.863 10.362 580 HH21 ARG 80 HH21 ARG 80 -1.114 2.933 8.235 581 HH22 ARG 80 HH22 ARG 80 -2.661 3.121 8.989 582 H LEU 81 H LEU 81 3.680 2.510 4.993 583 HA LEU 81 HA LEU 81 1.801 1.197 3.078 584 HB2 LEU 81 HB3 LEU 81 4.729 1.153 3.369 585 HB3 LEU 81 HB2 LEU 81 4.001 -0.404 3.020 586 HG LEU 81 HG LEU 81 3.136 1.980 1.436 587 HD11 LEU 81 HD11 LEU 81 5.017 1.643 -0.142 588 HD12 LEU 81 HD12 LEU 81 5.732 0.483 0.977 589 HD13 LEU 81 HD13 LEU 81 5.579 2.178 1.442 590 HD21 LEU 81 HD21 LEU 81 3.731 -0.408 -0.077 591 HD22 LEU 81 HD22 LEU 81 2.171 0.364 0.185 592 HD23 LEU 81 HD23 LEU 81 2.758 -0.844 1.325 593 H TRP 82 H TRP 82 2.002 -1.297 3.374 594 HA TRP 82 HA TRP 82 2.231 -2.148 6.179 595 HB2 TRP 82 HB3 TRP 82 -0.076 -1.311 6.104 596 HB3 TRP 82 HB2 TRP 82 -0.396 -2.268 4.659 597 HD1 TRP 82 HD TRP 82 -0.208 -4.991 4.968 598 HE1 TRP 82 HE1 TRP 82 -0.810 -6.448 7.008 599 HE3 TRP 82 HE3 TRP 82 -0.223 -1.426 8.624 600 HZ2 TRP 82 HZ2 TRP 82 -1.241 -6.142 9.819 601 HZ3 TRP 82 HZ3 TRP 82 -0.731 -2.035 10.971 602 HH2 TRP 82 HH2 TRP 82 -1.239 -4.386 11.573 603 H CYS 83 H CYS 83 3.524 -3.895 5.825 604 HA CYS 83 HA CYS 83 3.149 -5.485 3.367 605 HB2 CYS 83 HB3 CYS 83 5.401 -4.680 4.634 606 HB3 CYS 83 HB2 CYS 83 5.184 -6.265 5.369 607 H TYR 84 H TYR 84 1.515 -7.019 3.596 608 HA TYR 84 HA TYR 84 0.916 -8.215 6.174 609 HB2 TYR 84 HB3 TYR 84 -0.527 -8.077 3.906 610 HB3 TYR 84 HB2 TYR 84 0.229 -9.647 3.620 611 HD1 TYR 84 HD1 TYR 84 -0.330 -11.579 4.953 612 HD2 TYR 84 HD2 TYR 84 -1.960 -7.719 5.900 613 HE1 TYR 84 HE1 TYR 84 -1.941 -12.641 6.510 614 HE2 TYR 84 HE2 TYR 84 -3.571 -8.782 7.457 615 HH TYR 84 HH TYR 84 -3.781 -12.311 7.756 616 H ALA 85 H ALA 85 3.570 -8.361 4.358 617 HA ALA 85 HA ALA 85 4.134 -11.237 4.829 618 HB1 ALA 85 HB1 ALA 85 4.809 -10.717 2.624 619 HB2 ALA 85 HB2 ALA 85 6.303 -10.585 3.545 620 HB3 ALA 85 HB3 ALA 85 5.418 -9.130 3.091 621 H CYS 86 H CYS 86 6.087 -8.211 4.981 622 HA CYS 86 HA CYS 86 7.638 -9.148 7.216 623 HB2 CYS 86 HB3 CYS 86 7.075 -6.269 6.403 624 HB3 CYS 86 HB2 CYS 86 8.427 -6.839 7.374 625 H GLU 87 H GLU 87 4.495 -8.195 6.742 626 HA GLU 87 HA GLU 87 2.730 -7.542 8.124 627 HB2 GLU 87 HB3 GLU 87 4.145 -9.770 9.200 628 HB3 GLU 87 HB2 GLU 87 3.603 -8.775 10.541 629 HG2 GLU 87 HG3 GLU 87 1.770 -9.579 8.279 630 HG3 GLU 87 HG2 GLU 87 1.950 -10.541 9.744 631 H LYS 88 H LYS 88 3.949 -5.361 7.917 632 HA LYS 88 HA LYS 88 3.908 -4.128 10.558 633 HB2 LYS 88 HB3 LYS 88 6.260 -3.148 10.213 634 HB3 LYS 88 HB2 LYS 88 6.176 -4.832 10.731 635 HG2 LYS 88 HG3 LYS 88 6.584 -5.630 8.515 636 HG3 LYS 88 HG2 LYS 88 6.346 -4.034 7.818 637 HD2 LYS 88 HD3 LYS 88 8.701 -4.302 7.875 638 HD3 LYS 88 HD2 LYS 88 8.341 -3.289 9.270 639 HE2 LYS 88 HE3 LYS 88 8.109 -5.945 10.203 640 HE3 LYS 88 HE2 LYS 88 9.561 -5.918 9.204 641 HZ1 LYS 88 HZ1 LYS 88 9.933 -5.304 11.559 642 HZ2 LYS 88 HZ2 LYS 88 8.971 -3.925 11.319 643 HZ3 LYS 88 HZ3 LYS 88 10.424 -4.110 10.458 644 H GLU 89 H GLU 89 4.823 -1.688 10.121 645 HA GLU 89 HA GLU 89 3.459 -0.798 7.611 646 HB2 GLU 89 HB3 GLU 89 3.132 -0.014 10.320 647 HB3 GLU 89 HB2 GLU 89 3.932 1.335 9.518 648 HG2 GLU 89 HG3 GLU 89 2.166 1.674 8.028 649 HG3 GLU 89 HG2 GLU 89 1.569 0.024 8.193 650 H VAL 90 H VAL 90 4.573 0.692 6.239 651 HA VAL 90 HA VAL 90 7.233 1.626 7.136 652 HB VAL 90 HB VAL 90 7.978 0.627 4.698 653 HG11 VAL 90 HG11 VAL 90 9.122 0.366 6.920 654 HG12 VAL 90 HG12 VAL 90 9.153 -1.098 5.938 655 HG13 VAL 90 HG13 VAL 90 8.020 -0.961 7.283 656 HG21 VAL 90 HG21 VAL 90 7.017 -1.487 4.278 657 HG22 VAL 90 HG22 VAL 90 5.624 -0.486 4.687 658 HG23 VAL 90 HG23 VAL 90 6.301 -1.584 5.887 659 H PHE 91 H PHE 91 7.952 3.410 5.978 660 HA PHE 91 HA PHE 91 5.958 4.652 4.142 661 HB2 PHE 91 HB3 PHE 91 8.321 5.860 5.609 662 HB3 PHE 91 HB2 PHE 91 7.197 6.746 4.586 663 HD1 PHE 91 HD1 PHE 91 7.218 4.446 7.554 664 HD2 PHE 91 HD2 PHE 91 5.309 7.738 5.560 665 HE1 PHE 91 HE1 PHE 91 5.686 4.727 9.483 666 HE2 PHE 91 HE2 PHE 91 3.778 8.018 7.490 667 HZ PHE 91 HZ PHE 91 3.965 6.513 9.451 668 H LEU 92 H LEU 92 7.034 6.016 2.367 669 HA LEU 92 HA LEU 92 8.556 4.455 0.624 670 HB2 LEU 92 HB3 LEU 92 8.481 7.467 0.977 671 HB3 LEU 92 HB2 LEU 92 9.318 6.679 -0.360 672 HG LEU 92 HG LEU 92 6.461 5.931 0.184 673 HD11 LEU 92 HD11 LEU 92 6.493 8.411 0.200 674 HD12 LEU 92 HD12 LEU 92 5.678 7.779 -1.230 675 HD13 LEU 92 HD13 LEU 92 7.323 8.399 -1.356 676 HD21 LEU 92 HD21 LEU 92 7.771 4.729 -1.527 677 HD22 LEU 92 HD22 LEU 92 8.129 6.256 -2.333 678 HD23 LEU 92 HD23 LEU 92 6.471 5.655 -2.277 679 H GLU 93 H GLU 93 10.776 4.208 0.332 680 HA GLU 93 HA GLU 93 12.457 3.967 2.525 681 HB2 GLU 93 HB3 GLU 93 14.350 4.198 0.785 682 HB3 GLU 93 HB2 GLU 93 13.151 2.932 0.515 683 HG2 GLU 93 HG3 GLU 93 11.887 4.515 -0.965 684 HG3 GLU 93 HG2 GLU 93 13.206 5.670 -0.780 685 H GLN 94 H GLN 94 11.221 6.871 1.571 686 HA GLN 94 HA GLN 94 11.778 9.085 2.085 687 HB2 GLN 94 HB3 GLN 94 13.983 7.990 3.829 688 HB3 GLN 94 HB2 GLN 94 13.036 9.460 4.052 689 HG2 GLN 94 HG3 GLN 94 10.989 7.925 4.250 690 HG3 GLN 94 HG2 GLN 94 12.140 6.598 4.415 691 HE21 GLN 94 HE21 GLN 94 14.056 8.607 5.798 692 HE22 GLN 94 HE22 GLN 94 13.459 8.700 7.385 693 H ARG 95 H ARG 95 14.266 6.917 0.971 694 HA ARG 95 HA ARG 95 16.460 8.585 0.588 695 HB2 ARG 95 HB3 ARG 95 17.216 7.008 -0.926 696 HB3 ARG 95 HB2 ARG 95 15.919 6.083 -0.179 697 HG2 ARG 95 HG3 ARG 95 15.480 5.773 -2.450 698 HG3 ARG 95 HG2 ARG 95 14.423 7.123 -2.059 699 HD2 ARG 95 HD3 ARG 95 15.431 8.230 -3.763 700 HD3 ARG 95 HD2 ARG 95 16.851 8.348 -2.724 701 HE ARG 95 HE ARG 95 16.729 5.813 -4.145 702 HH11 ARG 95 HH11 ARG 95 18.294 5.513 -5.747 703 HH12 ARG 95 HH12 ARG 95 19.180 6.879 -6.340 704 HH21 ARG 95 HH21 ARG 95 17.565 9.154 -4.281 705 HH22 ARG 95 HH22 ARG 95 18.768 8.940 -5.509 706 H LEU 96 H LEU 96 13.402 8.583 -1.114 707 HA LEU 96 HA LEU 96 14.362 10.712 -2.954 708 HB2 LEU 96 HB3 LEU 96 12.041 10.444 -3.955 709 HB3 LEU 96 HB2 LEU 96 13.083 9.033 -4.073 710 HG LEU 96 HG LEU 96 11.753 8.742 -1.597 711 HD11 LEU 96 HD11 LEU 96 9.448 9.064 -2.003 712 HD12 LEU 96 HD12 LEU 96 9.690 9.259 -3.739 713 HD13 LEU 96 HD13 LEU 96 10.188 10.535 -2.632 714 HD21 LEU 96 HD21 LEU 96 10.729 6.807 -2.695 715 HD22 LEU 96 HD22 LEU 96 12.409 6.961 -3.208 716 HD23 LEU 96 HD23 LEU 96 11.109 7.480 -4.280 717 H ALA 97 H ALA 97 11.387 10.216 -1.036 718 HA ALA 97 HA ALA 97 10.079 11.771 0.142 719 HB1 ALA 97 HB1 ALA 97 12.666 13.274 0.572 720 HB2 ALA 97 HB2 ALA 97 12.294 11.782 1.436 721 HB3 ALA 97 HB3 ALA 97 11.263 13.199 1.637 722 H ALA 98 H ALA 98 9.620 14.264 0.254 723 HA ALA 98 HA ALA 98 8.875 15.248 -2.220 724 HB1 ALA 98 HB1 ALA 98 8.260 16.253 -0.017 725 HB2 ALA 98 HB2 ALA 98 8.756 17.456 -1.207 726 HB3 ALA 98 HB3 ALA 98 9.872 16.965 0.068 727 HA PRO 99 HA PRO 99 12.999 15.597 -4.142 728 HB2 PRO 99 HB3 PRO 99 11.282 17.122 -6.070 729 HB3 PRO 99 HB2 PRO 99 12.516 15.888 -6.393 730 HG2 PRO 99 HG3 PRO 99 9.922 15.311 -6.524 731 HG3 PRO 99 HG2 PRO 99 11.099 14.145 -5.892 732 HD2 PRO 99 HD3 PRO 99 9.074 15.760 -4.415 733 HD3 PRO 99 HD2 PRO 99 9.772 14.175 -4.008
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