NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
533490 | 2kyw | 16988 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 -6.688 23.448 2.009 2 H2 MET 1 H2 MET 1 -5.670 23.806 0.709 3 H3 MET 1 H3 MET 1 -5.537 24.682 2.146 4 HA MET 1 HA MET 1 -3.747 23.121 1.970 5 HB2 MET 1 HB2 MET 1 -5.820 22.474 4.101 6 HB3 MET 1 HB3 MET 1 -4.190 21.806 4.127 7 HG2 MET 1 HG2 MET 1 -4.912 24.743 4.271 8 HG3 MET 1 HG3 MET 1 -4.351 23.735 5.607 9 HE1 MET 1 HE1 MET 1 -0.632 22.966 4.423 10 HE2 MET 1 HE2 MET 1 -2.048 21.986 4.053 11 HE3 MET 1 HE3 MET 1 -1.838 22.656 5.673 12 H ASP 2 H ASP 2 -3.088 21.430 0.840 13 HA ASP 2 HA ASP 2 -4.828 19.175 0.167 14 HB2 ASP 2 HB2 ASP 2 -1.906 19.725 -0.553 15 HB3 ASP 2 HB3 ASP 2 -2.891 18.417 -1.210 16 H GLU 3 H GLU 3 -4.772 17.213 1.163 17 HA GLU 3 HA GLU 3 -2.562 16.571 3.032 18 HB2 GLU 3 HB2 GLU 3 -4.238 14.933 4.081 19 HB3 GLU 3 HB3 GLU 3 -4.480 16.640 4.393 20 HG2 GLU 3 HG2 GLU 3 -5.999 15.376 2.128 21 HG3 GLU 3 HG3 GLU 3 -6.501 15.024 3.781 22 H ASP 4 H ASP 4 -1.701 14.481 3.030 23 HA ASP 4 HA ASP 4 -1.765 13.231 0.345 24 HB2 ASP 4 HB2 ASP 4 0.607 12.612 0.784 25 HB3 ASP 4 HB3 ASP 4 0.340 14.352 0.840 26 H ALA 5 H ALA 5 -0.993 11.016 0.223 27 HA ALA 5 HA ALA 5 -1.238 9.238 2.521 28 HB1 ALA 5 HB1 ALA 5 -2.747 7.683 1.307 29 HB2 ALA 5 HB2 ALA 5 -2.870 8.836 -0.027 30 HB3 ALA 5 HB3 ALA 5 -3.523 9.249 1.559 31 H THR 6 H THR 6 0.608 8.020 2.444 32 HA THR 6 HA THR 6 2.030 7.707 -0.149 33 HB THR 6 HB THR 6 4.087 7.299 1.175 34 HG1 THR 6 HG1 THR 6 2.753 8.116 3.535 35 HG21 THR 6 HG21 THR 6 2.714 9.899 1.963 36 HG22 THR 6 HG22 THR 6 3.625 9.619 0.476 37 HG23 THR 6 HG23 THR 6 4.450 9.588 2.036 38 H ILE 7 H ILE 7 2.115 5.751 -1.014 39 HA ILE 7 HA ILE 7 1.252 3.385 0.539 40 HB ILE 7 HB ILE 7 1.453 3.569 -2.506 41 HG12 ILE 7 HG12 ILE 7 -1.115 4.086 -0.932 42 HG13 ILE 7 HG13 ILE 7 -0.085 5.384 -1.524 43 HG21 ILE 7 HG21 ILE 7 -0.189 1.706 -2.438 44 HG22 ILE 7 HG22 ILE 7 -0.145 1.729 -0.674 45 HG23 ILE 7 HG23 ILE 7 1.303 1.297 -1.589 46 HD11 ILE 7 HD11 ILE 7 -0.449 4.637 -3.822 47 HD12 ILE 7 HD12 ILE 7 -1.962 5.013 -3.002 48 HD13 ILE 7 HD13 ILE 7 -1.484 3.333 -3.235 49 H THR 8 H THR 8 3.129 2.534 1.409 50 HA THR 8 HA THR 8 5.565 2.406 -0.280 51 HB THR 8 HB THR 8 5.420 2.256 2.771 52 HG1 THR 8 HG1 THR 8 4.871 4.346 2.096 53 HG21 THR 8 HG21 THR 8 7.430 1.151 1.798 54 HG22 THR 8 HG22 THR 8 7.864 2.619 2.672 55 HG23 THR 8 HG23 THR 8 7.810 2.630 0.908 56 H TYR 9 H TYR 9 5.632 0.438 -1.242 57 HA TYR 9 HA TYR 9 4.868 -2.038 0.004 58 HB2 TYR 9 HB2 TYR 9 6.590 -1.437 -2.446 59 HB3 TYR 9 HB3 TYR 9 6.193 -3.069 -1.922 60 HD1 TYR 9 HD2 TYR 9 4.598 0.147 -3.070 61 HD2 TYR 9 HD1 TYR 9 4.168 -4.091 -2.648 62 HE1 TYR 9 HE2 TYR 9 2.520 0.225 -4.377 63 HE2 TYR 9 HE1 TYR 9 2.094 -4.009 -3.961 64 HH TYR 9 HH TYR 9 1.152 -1.251 -5.745 65 H VAL 10 H VAL 10 6.015 -3.148 1.459 66 HA VAL 10 HA VAL 10 8.937 -2.737 1.766 67 HB VAL 10 HB VAL 10 8.674 -3.007 4.233 68 HG11 VAL 10 HG11 VAL 10 8.856 -0.755 3.296 69 HG12 VAL 10 HG12 VAL 10 7.801 -0.746 4.709 70 HG13 VAL 10 HG13 VAL 10 7.104 -0.671 3.086 71 HG21 VAL 10 HG21 VAL 10 6.444 -2.790 5.300 72 HG22 VAL 10 HG22 VAL 10 6.538 -4.239 4.299 73 HG23 VAL 10 HG23 VAL 10 5.674 -2.817 3.709 74 H ASP 11 H ASP 11 10.116 -4.557 2.496 75 HA ASP 11 HA ASP 11 8.898 -7.118 1.790 76 HB2 ASP 11 HB2 ASP 11 11.187 -6.232 0.889 77 HB3 ASP 11 HB3 ASP 11 11.834 -6.692 2.457 78 H ASP 12 H ASP 12 7.726 -7.726 3.498 79 HA ASP 12 HA ASP 12 8.287 -7.507 6.231 80 HB2 ASP 12 HB2 ASP 12 6.051 -7.911 5.082 81 HB3 ASP 12 HB3 ASP 12 6.523 -9.597 4.897 82 H ASP 13 H ASP 13 9.499 -9.777 3.894 83 HA ASP 13 HA ASP 13 10.360 -11.822 5.773 84 HB2 ASP 13 HB2 ASP 13 9.761 -12.200 3.333 85 HB3 ASP 13 HB3 ASP 13 11.230 -11.359 2.887 86 H LYS 14 H LYS 14 11.643 -8.808 4.560 87 HA LYS 14 HA LYS 14 14.386 -9.431 5.508 88 HB2 LYS 14 HB2 LYS 14 13.935 -9.027 2.959 89 HB3 LYS 14 HB3 LYS 14 13.724 -7.343 3.398 90 HG2 LYS 14 HG2 LYS 14 15.943 -7.346 2.739 91 HG3 LYS 14 HG3 LYS 14 16.130 -7.607 4.470 92 HD2 LYS 14 HD2 LYS 14 16.162 -9.824 2.374 93 HD3 LYS 14 HD3 LYS 14 17.603 -9.060 3.034 94 HE2 LYS 14 HE2 LYS 14 15.579 -10.679 4.624 95 HE3 LYS 14 HE3 LYS 14 17.156 -11.249 4.083 96 HZ1 LYS 14 HZ1 LYS 14 17.177 -10.559 6.397 97 HZ2 LYS 14 HZ2 LYS 14 16.707 -8.995 5.966 98 HZ3 LYS 14 HZ3 LYS 14 18.206 -9.593 5.471 99 H GLY 15 H GLY 15 12.425 -8.567 7.269 100 HA2 GLY 15 HA2 GLY 15 12.120 -7.136 9.036 101 HA3 GLY 15 HA3 GLY 15 13.715 -6.509 8.676 102 H GLY 16 H GLY 16 11.067 -6.273 6.392 103 HA2 GLY 16 HA2 GLY 16 9.627 -4.558 5.805 104 HA3 GLY 16 HA3 GLY 16 10.203 -3.615 7.169 105 H ALA 17 H ALA 17 12.541 -4.871 4.848 106 HA ALA 17 HA ALA 17 13.458 -2.249 4.101 107 HB1 ALA 17 HB1 ALA 17 14.194 -4.965 2.940 108 HB2 ALA 17 HB2 ALA 17 14.998 -4.163 4.291 109 HB3 ALA 17 HB3 ALA 17 15.076 -3.455 2.677 110 H GLN 18 H GLN 18 13.096 -1.094 2.187 111 HA GLN 18 HA GLN 18 10.470 -1.351 1.178 112 HB2 GLN 18 HB2 GLN 18 11.640 0.802 1.467 113 HB3 GLN 18 HB3 GLN 18 12.745 0.394 0.155 114 HG2 GLN 18 HG2 GLN 18 10.855 0.409 -1.441 115 HG3 GLN 18 HG3 GLN 18 9.747 0.799 -0.122 116 HE21 GLN 18 HE21 GLN 18 9.123 2.749 -1.055 117 HE22 GLN 18 HE22 GLN 18 10.168 4.119 -1.150 118 H VAL 19 H VAL 19 9.607 -2.297 -0.554 119 HA VAL 19 HA VAL 19 11.246 -3.519 -2.689 120 HB VAL 19 HB VAL 19 8.245 -3.850 -2.123 121 HG11 VAL 19 HG11 VAL 19 8.332 -5.750 -3.706 122 HG12 VAL 19 HG12 VAL 19 10.028 -5.399 -4.049 123 HG13 VAL 19 HG13 VAL 19 8.778 -4.236 -4.496 124 HG21 VAL 19 HG21 VAL 19 10.515 -5.774 -1.488 125 HG22 VAL 19 HG22 VAL 19 8.793 -6.092 -1.253 126 HG23 VAL 19 HG23 VAL 19 9.593 -4.832 -0.313 127 H GLY 20 H GLY 20 11.605 -2.144 -4.365 128 HA2 GLY 20 HA2 GLY 20 11.169 -0.755 -6.160 129 HA3 GLY 20 HA3 GLY 20 9.459 -0.805 -5.758 130 H ASP 21 H ASP 21 8.584 1.055 -4.991 131 HA ASP 21 HA ASP 21 10.165 3.024 -3.522 132 HB2 ASP 21 HB2 ASP 21 9.714 4.869 -5.090 133 HB3 ASP 21 HB3 ASP 21 10.637 3.598 -5.881 134 H ILE 22 H ILE 22 8.794 5.009 -2.988 135 HA ILE 22 HA ILE 22 6.229 4.216 -1.872 136 HB ILE 22 HB ILE 22 7.688 6.909 -1.805 137 HG12 ILE 22 HG12 ILE 22 7.472 4.720 0.316 138 HG13 ILE 22 HG13 ILE 22 8.916 5.134 -0.597 139 HG21 ILE 22 HG21 ILE 22 6.122 7.555 0.003 140 HG22 ILE 22 HG22 ILE 22 5.239 6.042 -0.215 141 HG23 ILE 22 HG23 ILE 22 5.265 7.243 -1.508 142 HD11 ILE 22 HD11 ILE 22 8.946 7.340 0.501 143 HD12 ILE 22 HD12 ILE 22 9.057 5.999 1.639 144 HD13 ILE 22 HD13 ILE 22 7.533 6.866 1.450 145 H VAL 23 H VAL 23 4.235 4.676 -2.743 146 HA VAL 23 HA VAL 23 4.024 6.297 -5.195 147 HB VAL 23 HB VAL 23 1.796 4.719 -3.815 148 HG11 VAL 23 HG11 VAL 23 2.016 5.726 -6.676 149 HG12 VAL 23 HG12 VAL 23 1.004 6.417 -5.404 150 HG13 VAL 23 HG13 VAL 23 0.675 4.791 -6.002 151 HG21 VAL 23 HG21 VAL 23 2.205 2.877 -5.423 152 HG22 VAL 23 HG22 VAL 23 3.576 3.128 -4.341 153 HG23 VAL 23 HG23 VAL 23 3.651 3.711 -6.006 154 H THR 24 H THR 24 4.027 8.439 -4.595 155 HA THR 24 HA THR 24 2.591 9.401 -2.234 156 HB THR 24 HB THR 24 4.085 11.070 -4.310 157 HG1 THR 24 HG1 THR 24 5.788 11.006 -2.632 158 HG21 THR 24 HG21 THR 24 4.244 12.761 -2.512 159 HG22 THR 24 HG22 THR 24 3.325 11.715 -1.427 160 HG23 THR 24 HG23 THR 24 2.556 12.388 -2.867 161 H VAL 25 H VAL 25 0.397 9.454 -2.545 162 HA VAL 25 HA VAL 25 -0.627 11.006 -4.864 163 HB VAL 25 HB VAL 25 -2.831 9.837 -4.566 164 HG11 VAL 25 HG11 VAL 25 -1.263 9.030 -6.269 165 HG12 VAL 25 HG12 VAL 25 -2.164 7.678 -5.584 166 HG13 VAL 25 HG13 VAL 25 -0.490 7.963 -5.093 167 HG21 VAL 25 HG21 VAL 25 -1.353 8.035 -2.600 168 HG22 VAL 25 HG22 VAL 25 -2.986 7.765 -3.218 169 HG23 VAL 25 HG23 VAL 25 -2.651 9.165 -2.200 170 H THR 26 H THR 26 -2.013 12.707 -4.462 171 HA THR 26 HA THR 26 -2.539 13.479 -1.643 172 HB THR 26 HB THR 26 -1.974 15.847 -2.127 173 HG1 THR 26 HG1 THR 26 -2.217 16.102 -4.301 174 HG21 THR 26 HG21 THR 26 -0.172 14.433 -1.193 175 HG22 THR 26 HG22 THR 26 0.484 15.666 -2.270 176 HG23 THR 26 HG23 THR 26 0.341 13.997 -2.828 177 H GLY 27 H GLY 27 -4.260 14.999 -1.362 178 HA2 GLY 27 HA2 GLY 27 -5.984 16.005 -3.335 179 HA3 GLY 27 HA3 GLY 27 -6.604 14.430 -2.839 180 H LYS 28 H LYS 28 -8.432 15.081 -1.715 181 HA LYS 28 HA LYS 28 -7.970 16.700 0.742 182 HB2 LYS 28 HB2 LYS 28 -9.449 17.689 -1.261 183 HB3 LYS 28 HB3 LYS 28 -10.688 16.633 -0.608 184 HG2 LYS 28 HG2 LYS 28 -11.140 18.679 0.434 185 HG3 LYS 28 HG3 LYS 28 -10.216 17.811 1.666 186 HD2 LYS 28 HD2 LYS 28 -8.138 19.029 0.750 187 HD3 LYS 28 HD3 LYS 28 -9.255 20.035 -0.175 188 HE2 LYS 28 HE2 LYS 28 -8.661 21.216 1.836 189 HE3 LYS 28 HE3 LYS 28 -10.338 20.696 2.002 190 HZ1 LYS 28 HZ1 LYS 28 -9.665 18.928 3.426 191 HZ2 LYS 28 HZ2 LYS 28 -8.944 20.344 4.001 192 HZ3 LYS 28 HZ3 LYS 28 -8.026 19.219 3.133 193 H THR 29 H THR 29 -9.153 16.027 2.640 194 HA THR 29 HA THR 29 -9.740 13.382 3.152 195 HB THR 29 HB THR 29 -11.037 15.806 4.483 196 HG1 THR 29 HG1 THR 29 -8.627 14.363 4.949 197 HG21 THR 29 HG21 THR 29 -12.266 13.762 5.112 198 HG22 THR 29 HG22 THR 29 -11.313 14.350 6.476 199 HG23 THR 29 HG23 THR 29 -10.749 12.964 5.540 200 H ASP 30 H ASP 30 -11.907 15.754 1.682 201 HA ASP 30 HA ASP 30 -14.338 14.317 1.711 202 HB2 ASP 30 HB2 ASP 30 -13.312 16.298 -0.375 203 HB3 ASP 30 HB3 ASP 30 -14.993 15.801 -0.183 204 H ASP 31 H ASP 31 -11.518 14.005 -0.355 205 HA ASP 31 HA ASP 31 -12.838 12.248 -2.298 206 HB2 ASP 31 HB2 ASP 31 -9.976 13.275 -2.129 207 HB3 ASP 31 HB3 ASP 31 -10.638 12.336 -3.463 208 H SER 32 H SER 32 -12.682 10.082 -2.277 209 HA SER 32 HA SER 32 -10.478 8.736 -0.795 210 HB2 SER 32 HB2 SER 32 -11.984 6.759 -0.591 211 HB3 SER 32 HB3 SER 32 -12.686 8.183 0.182 212 HG SER 32 HG SER 32 -14.175 6.973 -1.143 213 H THR 33 H THR 33 -9.234 7.314 -1.917 214 HA THR 33 HA THR 33 -9.709 6.965 -4.832 215 HB THR 33 HB THR 33 -7.197 6.486 -4.929 216 HG1 THR 33 HG1 THR 33 -5.964 7.190 -3.132 217 HG21 THR 33 HG21 THR 33 -8.017 9.247 -3.976 218 HG22 THR 33 HG22 THR 33 -8.053 8.667 -5.643 219 HG23 THR 33 HG23 THR 33 -6.509 8.856 -4.810 220 H THR 34 H THR 34 -9.332 4.945 -5.812 221 HA THR 34 HA THR 34 -9.154 2.560 -4.031 222 HB THR 34 HB THR 34 -10.228 1.284 -5.926 223 HG1 THR 34 HG1 THR 34 -10.858 3.807 -7.089 224 HG21 THR 34 HG21 THR 34 -11.878 3.664 -4.977 225 HG22 THR 34 HG22 THR 34 -11.668 2.144 -4.103 226 HG23 THR 34 HG23 THR 34 -12.522 2.162 -5.648 227 H TYR 35 H TYR 35 -7.192 1.590 -4.094 228 HA TYR 35 HA TYR 35 -5.439 1.889 -6.474 229 HB2 TYR 35 HB2 TYR 35 -4.594 3.125 -4.501 230 HB3 TYR 35 HB3 TYR 35 -4.644 1.652 -3.539 231 HD1 TYR 35 HD2 TYR 35 -3.076 3.042 -6.664 232 HD2 TYR 35 HD1 TYR 35 -2.656 0.320 -3.388 233 HE1 TYR 35 HE2 TYR 35 -0.785 2.534 -7.382 234 HE2 TYR 35 HE1 TYR 35 -0.365 -0.186 -4.112 235 HH TYR 35 HH TYR 35 1.313 1.674 -6.418 236 H THR 36 H THR 36 -4.970 0.022 -7.513 237 HA THR 36 HA THR 36 -5.441 -2.589 -6.305 238 HB THR 36 HB THR 36 -4.296 -1.928 -9.062 239 HG1 THR 36 HG1 THR 36 -6.356 -2.016 -9.805 240 HG21 THR 36 HG21 THR 36 -4.981 -4.232 -9.665 241 HG22 THR 36 HG22 THR 36 -5.491 -4.526 -8.002 242 HG23 THR 36 HG23 THR 36 -3.784 -4.253 -8.365 243 H VAL 37 H VAL 37 -3.921 -3.785 -5.337 244 HA VAL 37 HA VAL 37 -1.228 -2.910 -4.904 245 HB VAL 37 HB VAL 37 -2.544 -5.582 -4.190 246 HG11 VAL 37 HG11 VAL 37 -0.773 -5.802 -2.464 247 HG12 VAL 37 HG12 VAL 37 0.003 -4.338 -3.077 248 HG13 VAL 37 HG13 VAL 37 -0.105 -5.774 -4.099 249 HG21 VAL 37 HG21 VAL 37 -2.285 -3.061 -2.500 250 HG22 VAL 37 HG22 VAL 37 -2.906 -4.615 -1.932 251 HG23 VAL 37 HG23 VAL 37 -3.776 -3.721 -3.180 252 H THR 38 H THR 38 0.624 -3.588 -5.891 253 HA THR 38 HA THR 38 0.397 -5.305 -8.295 254 HB THR 38 HB THR 38 2.419 -4.076 -9.130 255 HG1 THR 38 HG1 THR 38 3.313 -3.392 -7.143 256 HG21 THR 38 HG21 THR 38 0.121 -2.235 -8.356 257 HG22 THR 38 HG22 THR 38 0.180 -3.264 -9.791 258 HG23 THR 38 HG23 THR 38 1.311 -1.920 -9.621 259 H ILE 39 H ILE 39 1.224 -7.281 -7.984 260 HA ILE 39 HA ILE 39 3.174 -7.815 -5.853 261 HB ILE 39 HB ILE 39 1.546 -9.741 -7.568 262 HG12 ILE 39 HG12 ILE 39 0.105 -8.436 -6.072 263 HG13 ILE 39 HG13 ILE 39 0.199 -10.088 -5.478 264 HG21 ILE 39 HG21 ILE 39 2.221 -11.504 -5.955 265 HG22 ILE 39 HG22 ILE 39 3.295 -10.354 -5.154 266 HG23 ILE 39 HG23 ILE 39 3.608 -10.838 -6.823 267 HD11 ILE 39 HD11 ILE 39 1.818 -9.351 -3.764 268 HD12 ILE 39 HD12 ILE 39 0.274 -8.508 -3.649 269 HD13 ILE 39 HD13 ILE 39 1.667 -7.694 -4.359 270 HA PRO 40 HA PRO 40 6.233 -7.998 -9.264 271 HB2 PRO 40 HB2 PRO 40 8.442 -7.362 -7.797 272 HB3 PRO 40 HB3 PRO 40 7.253 -6.160 -8.305 273 HG2 PRO 40 HG2 PRO 40 7.692 -7.353 -5.611 274 HG3 PRO 40 HG3 PRO 40 7.064 -5.755 -6.042 275 HD2 PRO 40 HD2 PRO 40 5.540 -8.044 -5.269 276 HD3 PRO 40 HD3 PRO 40 4.911 -6.505 -5.892 277 H ASP 41 H ASP 41 8.379 -9.154 -9.587 278 HA ASP 41 HA ASP 41 7.913 -11.921 -9.396 279 HB2 ASP 41 HB2 ASP 41 10.348 -10.330 -10.265 280 HB3 ASP 41 HB3 ASP 41 10.296 -12.089 -10.365 281 H GLY 42 H GLY 42 8.005 -13.083 -7.579 282 HA2 GLY 42 HA2 GLY 42 9.210 -14.456 -6.101 283 HA3 GLY 42 HA3 GLY 42 10.544 -13.316 -6.114 284 H TYR 43 H TYR 43 7.504 -11.789 -5.595 285 HA TYR 43 HA TYR 43 7.932 -11.734 -2.651 286 HB2 TYR 43 HB2 TYR 43 6.854 -9.422 -4.326 287 HB3 TYR 43 HB3 TYR 43 7.250 -9.406 -2.609 288 HD1 TYR 43 HD2 TYR 43 8.725 -9.493 -6.021 289 HD2 TYR 43 HD1 TYR 43 9.545 -9.033 -1.858 290 HE1 TYR 43 HE2 TYR 43 10.977 -8.710 -6.562 291 HE2 TYR 43 HE1 TYR 43 11.811 -8.247 -2.398 292 HH TYR 43 HH TYR 43 13.443 -8.430 -4.269 293 H GLU 44 H GLU 44 6.090 -11.818 -1.323 294 HA GLU 44 HA GLU 44 3.587 -12.820 -2.598 295 HB2 GLU 44 HB2 GLU 44 4.696 -13.685 0.115 296 HB3 GLU 44 HB3 GLU 44 3.391 -14.434 -0.799 297 HG2 GLU 44 HG2 GLU 44 6.340 -14.461 -1.525 298 HG3 GLU 44 HG3 GLU 44 5.435 -15.799 -0.824 299 H TYR 45 H TYR 45 1.702 -11.729 -2.000 300 HA TYR 45 HA TYR 45 1.690 -9.492 -0.280 301 HB2 TYR 45 HB2 TYR 45 0.064 -9.753 -2.118 302 HB3 TYR 45 HB3 TYR 45 -0.681 -11.111 -1.292 303 HD1 TYR 45 HD2 TYR 45 0.162 -7.483 -0.602 304 HD2 TYR 45 HD1 TYR 45 -2.668 -10.656 -0.091 305 HE1 TYR 45 HE2 TYR 45 -1.370 -5.942 0.543 306 HE2 TYR 45 HE1 TYR 45 -4.193 -9.108 1.052 307 HH TYR 45 HH TYR 45 -3.734 -5.721 1.046 308 H VAL 46 H VAL 46 1.856 -9.474 1.867 309 HA VAL 46 HA VAL 46 0.967 -11.723 3.536 310 HB VAL 46 HB VAL 46 2.507 -9.217 4.360 311 HG11 VAL 46 HG11 VAL 46 1.377 -10.270 6.275 312 HG12 VAL 46 HG12 VAL 46 3.125 -10.472 6.399 313 HG13 VAL 46 HG13 VAL 46 2.115 -11.826 5.881 314 HG21 VAL 46 HG21 VAL 46 4.538 -10.612 4.318 315 HG22 VAL 46 HG22 VAL 46 3.790 -10.510 2.722 316 HG23 VAL 46 HG23 VAL 46 3.596 -11.972 3.694 317 H GLY 47 H GLY 47 0.640 -8.152 3.451 318 HA2 GLY 47 HA2 GLY 47 -2.130 -8.049 3.973 319 HA3 GLY 47 HA3 GLY 47 -1.277 -7.894 5.505 320 H THR 48 H THR 48 -2.841 -5.865 4.868 321 HA THR 48 HA THR 48 -1.005 -3.637 4.196 322 HB THR 48 HB THR 48 -3.851 -3.966 3.121 323 HG1 THR 48 HG1 THR 48 -1.330 -3.759 1.800 324 HG21 THR 48 HG21 THR 48 -3.482 -1.594 3.747 325 HG22 THR 48 HG22 THR 48 -3.560 -1.787 1.996 326 HG23 THR 48 HG23 THR 48 -1.998 -1.570 2.788 327 H ASP 49 H ASP 49 -1.221 -1.856 5.499 328 HA ASP 49 HA ASP 49 -3.519 -1.671 7.356 329 HB2 ASP 49 HB2 ASP 49 -1.994 -0.931 9.180 330 HB3 ASP 49 HB3 ASP 49 -1.725 -2.594 8.693 331 H GLY 50 H GLY 50 -3.862 0.519 8.236 332 HA2 GLY 50 HA2 GLY 50 -4.098 2.839 7.850 333 HA3 GLY 50 HA3 GLY 50 -3.089 2.704 6.406 334 H GLY 51 H GLY 51 -4.843 3.849 5.116 335 HA2 GLY 51 HA2 GLY 51 -6.691 3.505 3.649 336 HA3 GLY 51 HA3 GLY 51 -5.368 2.586 2.974 337 H VAL 52 H VAL 52 -8.562 2.414 3.487 338 HA VAL 52 HA VAL 52 -8.956 0.034 5.049 339 HB VAL 52 HB VAL 52 -10.957 1.423 3.193 340 HG11 VAL 52 HG11 VAL 52 -12.704 0.362 4.586 341 HG12 VAL 52 HG12 VAL 52 -11.464 -0.492 5.508 342 HG13 VAL 52 HG13 VAL 52 -11.694 -0.850 3.793 343 HG21 VAL 52 HG21 VAL 52 -10.080 2.999 4.869 344 HG22 VAL 52 HG22 VAL 52 -10.484 1.873 6.166 345 HG23 VAL 52 HG23 VAL 52 -11.769 2.610 5.206 346 H VAL 53 H VAL 53 -8.299 -1.921 4.294 347 HA VAL 53 HA VAL 53 -7.924 -2.428 1.471 348 HB VAL 53 HB VAL 53 -6.253 -3.195 3.130 349 HG11 VAL 53 HG11 VAL 53 -6.647 -5.142 4.583 350 HG12 VAL 53 HG12 VAL 53 -8.345 -5.169 4.097 351 HG13 VAL 53 HG13 VAL 53 -7.708 -3.792 4.999 352 HG21 VAL 53 HG21 VAL 53 -5.853 -5.452 2.214 353 HG22 VAL 53 HG22 VAL 53 -6.347 -4.323 0.952 354 HG23 VAL 53 HG23 VAL 53 -7.504 -5.498 1.583 355 H SER 54 H SER 54 -9.051 -3.812 0.148 356 HA SER 54 HA SER 54 -11.798 -4.383 0.727 357 HB2 SER 54 HB2 SER 54 -10.975 -3.778 -1.550 358 HB3 SER 54 HB3 SER 54 -10.102 -5.309 -1.633 359 HG SER 54 HG SER 54 -12.038 -5.574 -2.665 360 H SER 55 H SER 55 -12.793 -6.575 0.348 361 HA SER 55 HA SER 55 -11.815 -8.485 2.200 362 HB2 SER 55 HB2 SER 55 -13.955 -8.819 0.057 363 HB3 SER 55 HB3 SER 55 -13.706 -9.909 1.423 364 HG SER 55 HG SER 55 -14.616 -8.502 2.729 365 H ASP 56 H ASP 56 -11.376 -8.219 -1.288 366 HA ASP 56 HA ASP 56 -10.209 -10.865 -1.609 367 HB2 ASP 56 HB2 ASP 56 -9.726 -10.081 -3.945 368 HB3 ASP 56 HB3 ASP 56 -11.421 -9.952 -3.488 369 H GLY 57 H GLY 57 -9.023 -7.760 -0.632 370 HA2 GLY 57 HA2 GLY 57 -6.959 -7.183 0.227 371 HA3 GLY 57 HA3 GLY 57 -6.350 -8.766 -0.197 372 H LYS 58 H LYS 58 -7.351 -8.043 -3.093 373 HA LYS 58 HA LYS 58 -4.748 -7.212 -4.050 374 HB2 LYS 58 HB2 LYS 58 -7.308 -7.814 -5.581 375 HB3 LYS 58 HB3 LYS 58 -5.704 -7.641 -6.293 376 HG2 LYS 58 HG2 LYS 58 -4.931 -9.652 -5.196 377 HG3 LYS 58 HG3 LYS 58 -6.426 -9.786 -4.267 378 HD2 LYS 58 HD2 LYS 58 -6.351 -9.918 -7.308 379 HD3 LYS 58 HD3 LYS 58 -6.186 -11.344 -6.286 380 HE2 LYS 58 HE2 LYS 58 -8.484 -11.176 -7.032 381 HE3 LYS 58 HE3 LYS 58 -8.438 -10.851 -5.302 382 HZ1 LYS 58 HZ1 LYS 58 -8.553 -8.744 -7.389 383 HZ2 LYS 58 HZ2 LYS 58 -8.730 -8.529 -5.718 384 HZ3 LYS 58 HZ3 LYS 58 -9.905 -9.359 -6.594 385 H THR 59 H THR 59 -7.752 -5.622 -3.392 386 HA THR 59 HA THR 59 -6.646 -3.087 -4.483 387 HB THR 59 HB THR 59 -8.985 -2.248 -4.825 388 HG1 THR 59 HG1 THR 59 -10.151 -4.754 -4.839 389 HG21 THR 59 HG21 THR 59 -9.497 -3.509 -6.880 390 HG22 THR 59 HG22 THR 59 -8.409 -4.803 -6.376 391 HG23 THR 59 HG23 THR 59 -7.761 -3.205 -6.759 392 H VAL 60 H VAL 60 -7.153 -1.176 -3.280 393 HA VAL 60 HA VAL 60 -7.933 -1.495 -0.437 394 HB VAL 60 HB VAL 60 -5.353 -0.128 -1.387 395 HG11 VAL 60 HG11 VAL 60 -4.848 0.251 1.002 396 HG12 VAL 60 HG12 VAL 60 -6.420 -0.423 1.446 397 HG13 VAL 60 HG13 VAL 60 -6.332 1.074 0.513 398 HG21 VAL 60 HG21 VAL 60 -5.105 -2.581 -1.390 399 HG22 VAL 60 HG22 VAL 60 -5.628 -2.651 0.294 400 HG23 VAL 60 HG23 VAL 60 -4.114 -1.844 -0.128 401 H THR 61 H THR 61 -9.563 0.030 -0.108 402 HA THR 61 HA THR 61 -9.685 2.498 -1.654 403 HB THR 61 HB THR 61 -11.744 3.019 -0.337 404 HG1 THR 61 HG1 THR 61 -11.298 2.000 1.627 405 HG21 THR 61 HG21 THR 61 -11.976 1.693 -2.397 406 HG22 THR 61 HG22 THR 61 -13.162 1.185 -1.193 407 HG23 THR 61 HG23 THR 61 -11.725 0.202 -1.479 408 H ILE 62 H ILE 62 -8.219 3.953 -1.136 409 HA ILE 62 HA ILE 62 -7.245 4.459 1.593 410 HB ILE 62 HB ILE 62 -6.350 5.481 -1.146 411 HG12 ILE 62 HG12 ILE 62 -5.111 3.309 0.612 412 HG13 ILE 62 HG13 ILE 62 -6.093 3.013 -0.817 413 HG21 ILE 62 HG21 ILE 62 -4.272 6.240 -0.054 414 HG22 ILE 62 HG22 ILE 62 -4.914 5.765 1.520 415 HG23 ILE 62 HG23 ILE 62 -5.682 7.068 0.611 416 HD11 ILE 62 HD11 ILE 62 -4.407 4.068 -2.208 417 HD12 ILE 62 HD12 ILE 62 -3.739 2.733 -1.270 418 HD13 ILE 62 HD13 ILE 62 -3.421 4.396 -0.780 419 H THR 63 H THR 63 -7.401 6.593 2.573 420 HA THR 63 HA THR 63 -8.815 8.708 1.070 421 HB THR 63 HB THR 63 -9.654 7.996 3.925 422 HG1 THR 63 HG1 THR 63 -10.594 7.143 1.456 423 HG21 THR 63 HG21 THR 63 -11.471 9.644 3.539 424 HG22 THR 63 HG22 THR 63 -10.805 10.008 1.943 425 HG23 THR 63 HG23 THR 63 -9.885 10.409 3.399 426 H PHE 64 H PHE 64 -8.045 10.713 1.444 427 HA PHE 64 HA PHE 64 -5.431 10.938 2.597 428 HB2 PHE 64 HB2 PHE 64 -7.198 13.146 1.448 429 HB3 PHE 64 HB3 PHE 64 -5.445 13.185 1.626 430 HD1 PHE 64 HD2 PHE 64 -4.039 11.572 0.229 431 HD2 PHE 64 HD1 PHE 64 -8.209 12.201 -0.517 432 HE1 PHE 64 HE2 PHE 64 -3.801 10.597 -2.009 433 HE2 PHE 64 HE1 PHE 64 -7.955 11.208 -2.753 434 HZ PHE 64 HZ PHE 64 -5.748 10.418 -3.499 435 H ALA 65 H ALA 65 -4.779 11.973 4.466 436 HA ALA 65 HA ALA 65 -6.813 13.251 6.213 437 HB1 ALA 65 HB1 ALA 65 -5.945 12.030 8.169 438 HB2 ALA 65 HB2 ALA 65 -4.816 11.148 7.135 439 HB3 ALA 65 HB3 ALA 65 -6.555 10.909 6.949 440 H ALA 66 H ALA 66 -6.141 15.184 7.004 441 HA ALA 66 HA ALA 66 -3.402 16.099 6.836 442 HB1 ALA 66 HB1 ALA 66 -5.290 17.651 6.524 443 HB2 ALA 66 HB2 ALA 66 -4.261 18.169 7.860 444 HB3 ALA 66 HB3 ALA 66 -5.804 17.376 8.191 445 H ASP 67 H ASP 67 -5.333 14.492 9.223 446 HA ASP 67 HA ASP 67 -3.694 15.058 11.533 447 HB2 ASP 67 HB2 ASP 67 -5.785 12.875 11.076 448 HB3 ASP 67 HB3 ASP 67 -5.120 13.354 12.636 449 H ASP 68 H ASP 68 -4.358 12.021 9.753 450 HA ASP 68 HA ASP 68 -2.065 10.620 10.814 451 HB2 ASP 68 HB2 ASP 68 -4.100 9.842 8.690 452 HB3 ASP 68 HB3 ASP 68 -2.906 8.750 9.395 453 H SER 69 H SER 69 -2.841 12.177 7.676 454 HA SER 69 HA SER 69 -2.031 11.895 5.561 455 HB2 SER 69 HB2 SER 69 0.633 11.745 7.043 456 HB3 SER 69 HB3 SER 69 0.498 11.822 5.286 457 HG SER 69 HG SER 69 0.457 13.875 5.564 458 H ASP 70 H ASP 70 -2.671 9.980 4.573 459 HA ASP 70 HA ASP 70 -2.840 7.736 6.327 460 HB2 ASP 70 HB2 ASP 70 -4.712 8.574 4.837 461 HB3 ASP 70 HB3 ASP 70 -3.839 7.927 3.453 462 H ASN 71 H ASN 71 -0.657 7.192 6.531 463 HA ASN 71 HA ASN 71 0.978 6.209 4.384 464 HB2 ASN 71 HB2 ASN 71 1.210 5.655 7.380 465 HB3 ASN 71 HB3 ASN 71 2.438 5.261 6.184 466 HD21 ASN 71 HD21 ASN 71 1.093 7.747 8.145 467 HD22 ASN 71 HD22 ASN 71 2.180 9.000 7.683 468 H VAL 72 H VAL 72 0.017 4.637 3.172 469 HA VAL 72 HA VAL 72 -1.241 2.268 4.352 470 HB VAL 72 HB VAL 72 -0.805 3.067 1.422 471 HG11 VAL 72 HG11 VAL 72 -1.086 0.642 1.611 472 HG12 VAL 72 HG12 VAL 72 -2.519 1.359 0.873 473 HG13 VAL 72 HG13 VAL 72 -2.556 0.858 2.566 474 HG21 VAL 72 HG21 VAL 72 -2.266 4.668 2.571 475 HG22 VAL 72 HG22 VAL 72 -3.291 3.355 3.156 476 HG23 VAL 72 HG23 VAL 72 -3.203 3.704 1.427 477 H VAL 73 H VAL 73 0.026 0.542 4.881 478 HA VAL 73 HA VAL 73 2.727 0.276 3.669 479 HB VAL 73 HB VAL 73 1.736 -0.673 6.406 480 HG11 VAL 73 HG11 VAL 73 4.110 -1.200 6.888 481 HG12 VAL 73 HG12 VAL 73 4.551 -0.763 5.235 482 HG13 VAL 73 HG13 VAL 73 3.501 -2.152 5.532 483 HG21 VAL 73 HG21 VAL 73 3.179 1.091 7.366 484 HG22 VAL 73 HG22 VAL 73 1.933 1.784 6.325 485 HG23 VAL 73 HG23 VAL 73 3.594 1.652 5.742 486 H ILE 74 H ILE 74 2.733 -1.288 2.153 487 HA ILE 74 HA ILE 74 1.009 -3.675 2.437 488 HB ILE 74 HB ILE 74 2.477 -2.634 -0.034 489 HG12 ILE 74 HG12 ILE 74 -0.499 -2.520 0.686 490 HG13 ILE 74 HG13 ILE 74 0.603 -1.150 0.687 491 HG21 ILE 74 HG21 ILE 74 2.206 -5.092 -0.092 492 HG22 ILE 74 HG22 ILE 74 1.177 -4.321 -1.297 493 HG23 ILE 74 HG23 ILE 74 0.472 -4.920 0.207 494 HD11 ILE 74 HD11 ILE 74 -0.273 -2.731 -1.724 495 HD12 ILE 74 HD12 ILE 74 0.874 -1.388 -1.740 496 HD13 ILE 74 HD13 ILE 74 -0.800 -1.113 -1.262 497 H HIS 75 H HIS 75 1.989 -5.290 3.429 498 HA HIS 75 HA HIS 75 4.878 -5.605 3.603 499 HB2 HIS 75 HB2 HIS 75 2.583 -7.223 4.808 500 HB3 HIS 75 HB3 HIS 75 4.284 -7.435 5.202 501 HD1 HIS 75 HD1 HIS 75 5.121 -6.106 7.146 502 HD2 HIS 75 HD2 HIS 75 1.549 -4.572 5.671 503 HE1 HIS 75 HE1 HIS 75 4.446 -4.303 8.750 504 HE2 HIS 75 HE2 HIS 75 2.371 -3.299 7.759 505 H LEU 76 H LEU 76 6.087 -7.126 2.459 506 HA LEU 76 HA LEU 76 4.712 -9.281 0.944 507 HB2 LEU 76 HB2 LEU 76 6.987 -7.539 -0.114 508 HB3 LEU 76 HB3 LEU 76 6.257 -8.893 -0.967 509 HG LEU 76 HG LEU 76 4.827 -6.296 -0.260 510 HD11 LEU 76 HD11 LEU 76 5.886 -7.204 -2.953 511 HD12 LEU 76 HD12 LEU 76 6.549 -5.908 -1.952 512 HD13 LEU 76 HD13 LEU 76 4.936 -5.746 -2.642 513 HD21 LEU 76 HD21 LEU 76 3.263 -8.193 -0.363 514 HD22 LEU 76 HD22 LEU 76 3.862 -8.616 -1.971 515 HD23 LEU 76 HD23 LEU 76 3.014 -7.089 -1.718 516 H LYS 77 H LYS 77 5.732 -11.303 1.069 517 HA LYS 77 HA LYS 77 8.425 -11.449 2.340 518 HB2 LYS 77 HB2 LYS 77 6.179 -13.499 2.230 519 HB3 LYS 77 HB3 LYS 77 7.816 -13.913 2.730 520 HG2 LYS 77 HG2 LYS 77 7.652 -12.327 4.619 521 HG3 LYS 77 HG3 LYS 77 6.015 -11.899 4.109 522 HD2 LYS 77 HD2 LYS 77 5.340 -14.310 4.436 523 HD3 LYS 77 HD3 LYS 77 6.954 -14.632 5.074 524 HE2 LYS 77 HE2 LYS 77 4.916 -12.725 6.269 525 HE3 LYS 77 HE3 LYS 77 5.314 -14.329 6.883 526 HZ1 LYS 77 HZ1 LYS 77 6.451 -12.694 8.162 527 HZ2 LYS 77 HZ2 LYS 77 7.101 -11.964 6.789 528 HZ3 LYS 77 HZ3 LYS 77 7.604 -13.518 7.242 529 H HIS 78 H HIS 78 9.736 -13.449 1.609 530 HA HIS 78 HA HIS 78 9.925 -13.384 -1.324 531 HB2 HIS 78 HB2 HIS 78 11.757 -14.615 0.777 532 HB3 HIS 78 HB3 HIS 78 12.074 -14.649 -0.957 533 HD1 HIS 78 HD1 HIS 78 13.816 -13.190 1.315 534 HD2 HIS 78 HD2 HIS 78 11.199 -11.358 -1.361 535 HE1 HIS 78 HE1 HIS 78 14.620 -10.822 1.100 536 HE2 HIS 78 HE2 HIS 78 12.841 -9.694 -0.277 537 H GLY 79 H GLY 79 9.261 -14.986 -2.646 538 HA2 GLY 79 HA2 GLY 79 8.038 -17.417 -1.518 539 HA3 GLY 79 HA3 GLY 79 7.820 -16.789 -3.144 540 H LEU 80 H LEU 80 8.636 -18.201 -4.607 541 HA LEU 80 HA LEU 80 11.237 -19.529 -4.048 542 HB2 LEU 80 HB2 LEU 80 9.329 -21.114 -4.173 543 HB3 LEU 80 HB3 LEU 80 8.940 -20.528 -5.780 544 HG LEU 80 HG LEU 80 11.108 -21.416 -6.633 545 HD11 LEU 80 HD11 LEU 80 12.463 -21.251 -4.612 546 HD12 LEU 80 HD12 LEU 80 12.510 -22.890 -5.255 547 HD13 LEU 80 HD13 LEU 80 11.517 -22.526 -3.839 548 HD21 LEU 80 HD21 LEU 80 9.114 -22.834 -6.783 549 HD22 LEU 80 HD22 LEU 80 9.451 -23.515 -5.189 550 HD23 LEU 80 HD23 LEU 80 10.561 -23.809 -6.533 551 H GLU 81 H GLU 81 12.756 -18.364 -5.086 552 HA GLU 81 HA GLU 81 12.327 -16.828 -7.454 553 HB2 GLU 81 HB2 GLU 81 14.891 -17.663 -6.041 554 HB3 GLU 81 HB3 GLU 81 14.840 -16.547 -7.401 555 HG2 GLU 81 HG2 GLU 81 13.465 -14.986 -6.065 556 HG3 GLU 81 HG3 GLU 81 13.534 -16.103 -4.699 557 H HIS 82 H HIS 82 12.282 -17.508 -9.493 558 HA HIS 82 HA HIS 82 13.377 -20.142 -10.282 559 HB2 HIS 82 HB2 HIS 82 10.932 -19.528 -10.675 560 HB3 HIS 82 HB3 HIS 82 11.479 -18.311 -11.820 561 HD1 HIS 82 HD1 HIS 82 10.867 -19.187 -14.061 562 HD2 HIS 82 HD2 HIS 82 12.447 -22.180 -11.650 563 HE1 HIS 82 HE1 HIS 82 10.984 -21.235 -15.508 564 HE2 HIS 82 HE2 HIS 82 11.851 -23.045 -14.003 565 H HIS 83 H HIS 83 14.979 -17.627 -9.880 566 HA HIS 83 HA HIS 83 16.813 -16.612 -10.664 567 HB2 HIS 83 HB2 HIS 83 17.539 -18.925 -11.172 568 HB3 HIS 83 HB3 HIS 83 16.823 -18.807 -12.774 569 HD1 HIS 83 HD1 HIS 83 18.140 -17.496 -14.558 570 HD2 HIS 83 HD2 HIS 83 20.003 -17.525 -10.845 571 HE1 HIS 83 HE1 HIS 83 20.448 -16.603 -14.955 572 HE2 HIS 83 HE2 HIS 83 21.515 -16.528 -12.686 573 H HIS 84 H HIS 84 15.654 -14.698 -11.176 574 HA HIS 84 HA HIS 84 16.231 -13.701 -13.781 575 HB2 HIS 84 HB2 HIS 84 13.878 -13.029 -14.440 576 HB3 HIS 84 HB3 HIS 84 14.185 -14.758 -14.518 577 HD1 HIS 84 HD1 HIS 84 12.813 -16.272 -13.000 578 HD2 HIS 84 HD2 HIS 84 12.051 -12.240 -12.372 579 HE1 HIS 84 HE1 HIS 84 10.747 -16.192 -11.587 580 HE2 HIS 84 HE2 HIS 84 10.176 -13.749 -11.452 581 H HIS 85 H HIS 85 14.946 -11.418 -14.009 582 HA HIS 85 HA HIS 85 16.131 -9.623 -12.278 583 HB2 HIS 85 HB2 HIS 85 15.327 -9.098 -14.564 584 HB3 HIS 85 HB3 HIS 85 13.662 -9.207 -14.014 585 HD1 HIS 85 HD1 HIS 85 12.789 -7.227 -12.513 586 HD2 HIS 85 HD2 HIS 85 16.595 -6.656 -14.081 587 HE1 HIS 85 HE1 HIS 85 13.266 -4.780 -12.252 588 HE2 HIS 85 HE2 HIS 85 15.473 -4.435 -13.397 589 H HIS 86 H HIS 86 15.759 -9.205 -10.175 590 HA HIS 86 HA HIS 86 13.209 -9.611 -8.828 591 HB2 HIS 86 HB2 HIS 86 15.735 -8.247 -7.777 592 HB3 HIS 86 HB3 HIS 86 14.388 -8.847 -6.812 593 HD1 HIS 86 HD1 HIS 86 17.457 -9.956 -8.610 594 HD2 HIS 86 HD2 HIS 86 14.376 -11.658 -6.406 595 HE1 HIS 86 HE1 HIS 86 18.224 -12.277 -8.069 596 HE2 HIS 86 HE2 HIS 86 16.460 -13.169 -6.526 597 H HIS 87 H HIS 87 11.911 -7.889 -7.890 598 HA HIS 87 HA HIS 87 12.465 -5.102 -8.467 599 HB2 HIS 87 HB2 HIS 87 11.654 -5.981 -10.688 600 HB3 HIS 87 HB3 HIS 87 10.139 -6.447 -9.927 601 HD1 HIS 87 HD1 HIS 87 8.323 -4.742 -10.090 602 HD2 HIS 87 HD2 HIS 87 12.079 -3.029 -10.558 603 HE1 HIS 87 HE1 HIS 87 7.904 -2.339 -10.659 604 HE2 HIS 87 HE2 HIS 87 10.185 -1.292 -10.769 Start of MODEL 2 1 H1 MET 1 H1 MET 1 -7.192 23.487 -1.396 2 H2 MET 1 H2 MET 1 -6.382 24.860 -0.839 3 H3 MET 1 H3 MET 1 -7.033 23.760 0.266 4 HA MET 1 HA MET 1 -4.809 23.245 -1.624 5 HB2 MET 1 HB2 MET 1 -4.209 24.709 0.308 6 HB3 MET 1 HB3 MET 1 -4.799 23.479 1.423 7 HG2 MET 1 HG2 MET 1 -2.346 23.445 1.269 8 HG3 MET 1 HG3 MET 1 -3.034 21.935 0.662 9 HE1 MET 1 HE1 MET 1 -0.655 21.397 -0.489 10 HE2 MET 1 HE2 MET 1 0.000 22.939 0.069 11 HE3 MET 1 HE3 MET 1 0.134 22.486 -1.630 12 H ASP 2 H ASP 2 -4.202 21.083 -1.862 13 HA ASP 2 HA ASP 2 -6.043 19.057 -0.746 14 HB2 ASP 2 HB2 ASP 2 -4.193 19.006 -3.170 15 HB3 ASP 2 HB3 ASP 2 -5.137 17.621 -2.623 16 H GLU 3 H GLU 3 -5.108 16.926 -0.291 17 HA GLU 3 HA GLU 3 -2.549 17.113 1.179 18 HB2 GLU 3 HB2 GLU 3 -4.630 16.836 2.566 19 HB3 GLU 3 HB3 GLU 3 -4.935 15.303 1.757 20 HG2 GLU 3 HG2 GLU 3 -3.905 14.979 3.973 21 HG3 GLU 3 HG3 GLU 3 -2.882 14.358 2.680 22 H ASP 4 H ASP 4 -1.080 15.414 1.072 23 HA ASP 4 HA ASP 4 -1.415 13.450 -1.124 24 HB2 ASP 4 HB2 ASP 4 0.434 15.261 -1.221 25 HB3 ASP 4 HB3 ASP 4 1.213 14.389 0.099 26 H ALA 5 H ALA 5 -1.500 11.358 -0.568 27 HA ALA 5 HA ALA 5 -1.015 10.509 2.230 28 HB1 ALA 5 HB1 ALA 5 -2.888 9.288 0.162 29 HB2 ALA 5 HB2 ALA 5 -3.374 10.336 1.495 30 HB3 ALA 5 HB3 ALA 5 -2.690 8.744 1.833 31 H THR 6 H THR 6 0.210 8.600 2.613 32 HA THR 6 HA THR 6 2.135 8.023 0.447 33 HB THR 6 HB THR 6 3.656 7.256 2.281 34 HG1 THR 6 HG1 THR 6 1.624 8.207 4.065 35 HG21 THR 6 HG21 THR 6 2.502 10.039 2.738 36 HG22 THR 6 HG22 THR 6 3.768 9.620 1.579 37 HG23 THR 6 HG23 THR 6 4.074 9.471 3.310 38 H ILE 7 H ILE 7 2.568 6.013 -0.259 39 HA ILE 7 HA ILE 7 1.214 3.618 0.877 40 HB ILE 7 HB ILE 7 1.725 4.055 -2.114 41 HG12 ILE 7 HG12 ILE 7 -1.011 4.372 -0.790 42 HG13 ILE 7 HG13 ILE 7 0.032 5.737 -1.171 43 HG21 ILE 7 HG21 ILE 7 0.164 2.146 -2.404 44 HG22 ILE 7 HG22 ILE 7 -0.002 2.006 -0.653 45 HG23 ILE 7 HG23 ILE 7 1.559 1.698 -1.420 46 HD11 ILE 7 HD11 ILE 7 -0.057 5.162 -3.534 47 HD12 ILE 7 HD12 ILE 7 -1.669 5.418 -2.864 48 HD13 ILE 7 HD13 ILE 7 -1.090 3.779 -3.164 49 H THR 8 H THR 8 2.876 2.328 1.642 50 HA THR 8 HA THR 8 5.485 2.325 0.225 51 HB THR 8 HB THR 8 5.041 1.910 3.220 52 HG1 THR 8 HG1 THR 8 6.381 4.166 2.240 53 HG21 THR 8 HG21 THR 8 7.495 2.154 3.391 54 HG22 THR 8 HG22 THR 8 7.615 2.320 1.638 55 HG23 THR 8 HG23 THR 8 7.082 0.792 2.345 56 H TYR 9 H TYR 9 5.474 0.429 -0.945 57 HA TYR 9 HA TYR 9 4.628 -2.129 0.084 58 HB2 TYR 9 HB2 TYR 9 6.435 -1.349 -2.254 59 HB3 TYR 9 HB3 TYR 9 6.089 -3.026 -1.848 60 HD1 TYR 9 HD2 TYR 9 4.233 0.188 -2.609 61 HD2 TYR 9 HD1 TYR 9 4.299 -4.078 -2.966 62 HE1 TYR 9 HE2 TYR 9 2.217 0.271 -3.998 63 HE2 TYR 9 HE1 TYR 9 2.272 -3.991 -4.358 64 HH TYR 9 HH TYR 9 1.044 -1.028 -5.628 65 H VAL 10 H VAL 10 5.837 -3.567 1.296 66 HA VAL 10 HA VAL 10 8.699 -3.060 1.836 67 HB VAL 10 HB VAL 10 8.416 -3.532 4.242 68 HG11 VAL 10 HG11 VAL 10 8.364 -1.174 3.576 69 HG12 VAL 10 HG12 VAL 10 7.323 -1.445 4.976 70 HG13 VAL 10 HG13 VAL 10 6.610 -1.246 3.372 71 HG21 VAL 10 HG21 VAL 10 6.183 -3.661 5.314 72 HG22 VAL 10 HG22 VAL 10 6.425 -4.981 4.170 73 HG23 VAL 10 HG23 VAL 10 5.413 -3.604 3.726 74 H ASP 11 H ASP 11 9.755 -4.965 2.869 75 HA ASP 11 HA ASP 11 8.466 -7.555 2.243 76 HB2 ASP 11 HB2 ASP 11 10.275 -6.918 0.590 77 HB3 ASP 11 HB3 ASP 11 11.434 -6.920 1.918 78 H ASP 12 H ASP 12 8.131 -8.600 4.075 79 HA ASP 12 HA ASP 12 9.195 -7.912 6.594 80 HB2 ASP 12 HB2 ASP 12 7.664 -10.425 5.837 81 HB3 ASP 12 HB3 ASP 12 7.841 -9.757 7.460 82 H ASP 13 H ASP 13 10.280 -10.312 4.210 83 HA ASP 13 HA ASP 13 12.054 -11.692 6.067 84 HB2 ASP 13 HB2 ASP 13 11.725 -11.801 3.050 85 HB3 ASP 13 HB3 ASP 13 13.084 -12.598 3.837 86 H LYS 14 H LYS 14 12.155 -8.681 4.507 87 HA LYS 14 HA LYS 14 15.055 -8.364 5.017 88 HB2 LYS 14 HB2 LYS 14 13.076 -6.613 3.491 89 HB3 LYS 14 HB3 LYS 14 14.742 -6.155 3.805 90 HG2 LYS 14 HG2 LYS 14 13.931 -8.581 2.166 91 HG3 LYS 14 HG3 LYS 14 14.281 -6.995 1.486 92 HD2 LYS 14 HD2 LYS 14 16.340 -8.050 1.186 93 HD3 LYS 14 HD3 LYS 14 16.608 -7.268 2.739 94 HE2 LYS 14 HE2 LYS 14 16.080 -9.428 3.870 95 HE3 LYS 14 HE3 LYS 14 15.876 -10.180 2.287 96 HZ1 LYS 14 HZ1 LYS 14 18.200 -9.630 1.801 97 HZ2 LYS 14 HZ2 LYS 14 18.063 -10.630 3.154 98 HZ3 LYS 14 HZ3 LYS 14 18.377 -8.980 3.350 99 H GLY 15 H GLY 15 12.663 -8.498 6.964 100 HA2 GLY 15 HA2 GLY 15 12.149 -7.617 9.017 101 HA3 GLY 15 HA3 GLY 15 13.531 -6.550 8.855 102 H GLY 16 H GLY 16 10.837 -6.631 6.591 103 HA2 GLY 16 HA2 GLY 16 9.111 -5.168 6.135 104 HA3 GLY 16 HA3 GLY 16 9.407 -4.365 7.671 105 H ALA 17 H ALA 17 11.903 -4.808 5.192 106 HA ALA 17 HA ALA 17 12.338 -1.926 4.970 107 HB1 ALA 17 HB1 ALA 17 14.263 -3.466 5.163 108 HB2 ALA 17 HB2 ALA 17 14.331 -2.541 3.661 109 HB3 ALA 17 HB3 ALA 17 13.812 -4.230 3.636 110 H GLN 18 H GLN 18 12.105 -0.684 3.054 111 HA GLN 18 HA GLN 18 9.742 -1.403 1.611 112 HB2 GLN 18 HB2 GLN 18 9.896 0.804 0.529 113 HB3 GLN 18 HB3 GLN 18 10.065 0.905 2.276 114 HG2 GLN 18 HG2 GLN 18 12.486 1.230 2.051 115 HG3 GLN 18 HG3 GLN 18 12.364 1.053 0.299 116 HE21 GLN 18 HE21 GLN 18 11.418 2.746 -0.916 117 HE22 GLN 18 HE22 GLN 18 11.221 4.333 -0.270 118 H VAL 19 H VAL 19 9.384 -1.877 -0.505 119 HA VAL 19 HA VAL 19 11.663 -2.760 -2.176 120 HB VAL 19 HB VAL 19 8.702 -3.521 -2.430 121 HG11 VAL 19 HG11 VAL 19 9.498 -5.309 -3.962 122 HG12 VAL 19 HG12 VAL 19 11.146 -4.692 -3.822 123 HG13 VAL 19 HG13 VAL 19 9.895 -3.700 -4.574 124 HG21 VAL 19 HG21 VAL 19 9.331 -5.715 -1.469 125 HG22 VAL 19 HG22 VAL 19 9.633 -4.400 -0.331 126 HG23 VAL 19 HG23 VAL 19 10.979 -5.131 -1.210 127 H GLY 20 H GLY 20 12.239 -1.245 -3.647 128 HA2 GLY 20 HA2 GLY 20 12.109 0.326 -5.333 129 HA3 GLY 20 HA3 GLY 20 10.366 0.101 -5.389 130 H ASP 21 H ASP 21 10.166 2.397 -5.632 131 HA ASP 21 HA ASP 21 10.841 4.110 -3.323 132 HB2 ASP 21 HB2 ASP 21 9.717 4.807 -6.076 133 HB3 ASP 21 HB3 ASP 21 10.055 5.985 -4.811 134 H ILE 22 H ILE 22 9.214 5.415 -2.293 135 HA ILE 22 HA ILE 22 6.712 4.125 -1.773 136 HB ILE 22 HB ILE 22 7.687 6.909 -0.970 137 HG12 ILE 22 HG12 ILE 22 7.661 4.292 0.622 138 HG13 ILE 22 HG13 ILE 22 9.089 5.048 -0.073 139 HG21 ILE 22 HG21 ILE 22 5.907 6.897 0.768 140 HG22 ILE 22 HG22 ILE 22 5.288 5.376 0.125 141 HG23 ILE 22 HG23 ILE 22 5.222 6.838 -0.858 142 HD11 ILE 22 HD11 ILE 22 8.957 5.425 2.311 143 HD12 ILE 22 HD12 ILE 22 7.380 6.194 2.131 144 HD13 ILE 22 HD13 ILE 22 8.818 6.950 1.435 145 H VAL 23 H VAL 23 4.734 4.470 -2.678 146 HA VAL 23 HA VAL 23 4.437 6.322 -4.960 147 HB VAL 23 HB VAL 23 2.647 4.023 -3.991 148 HG11 VAL 23 HG11 VAL 23 2.433 5.640 -6.559 149 HG12 VAL 23 HG12 VAL 23 1.328 5.714 -5.184 150 HG13 VAL 23 HG13 VAL 23 1.445 4.236 -6.140 151 HG21 VAL 23 HG21 VAL 23 4.786 3.166 -4.844 152 HG22 VAL 23 HG22 VAL 23 4.581 4.069 -6.347 153 HG23 VAL 23 HG23 VAL 23 3.475 2.749 -5.952 154 H THR 24 H THR 24 2.900 8.032 -4.834 155 HA THR 24 HA THR 24 1.235 8.194 -2.374 156 HB THR 24 HB THR 24 1.594 10.683 -2.293 157 HG1 THR 24 HG1 THR 24 2.892 11.666 -3.620 158 HG21 THR 24 HG21 THR 24 4.149 9.088 -1.877 159 HG22 THR 24 HG22 THR 24 2.824 9.240 -0.718 160 HG23 THR 24 HG23 THR 24 3.765 10.662 -1.171 161 H VAL 25 H VAL 25 -0.723 9.150 -2.531 162 HA VAL 25 HA VAL 25 -1.753 9.903 -5.217 163 HB VAL 25 HB VAL 25 -4.039 9.151 -4.310 164 HG11 VAL 25 HG11 VAL 25 -2.793 7.757 -5.913 165 HG12 VAL 25 HG12 VAL 25 -3.654 6.745 -4.754 166 HG13 VAL 25 HG13 VAL 25 -1.911 6.986 -4.592 167 HG21 VAL 25 HG21 VAL 25 -2.349 7.831 -2.132 168 HG22 VAL 25 HG22 VAL 25 -4.077 7.571 -2.400 169 HG23 VAL 25 HG23 VAL 25 -3.494 9.155 -1.892 170 H THR 26 H THR 26 -2.924 11.838 -5.386 171 HA THR 26 HA THR 26 -2.963 13.569 -2.960 172 HB THR 26 HB THR 26 -2.697 14.492 -5.863 173 HG1 THR 26 HG1 THR 26 -0.831 13.603 -4.046 174 HG21 THR 26 HG21 THR 26 -2.073 16.681 -4.873 175 HG22 THR 26 HG22 THR 26 -2.380 16.041 -3.256 176 HG23 THR 26 HG23 THR 26 -3.711 16.216 -4.403 177 H GLY 27 H GLY 27 -4.758 14.690 -2.448 178 HA2 GLY 27 HA2 GLY 27 -6.921 15.457 -4.036 179 HA3 GLY 27 HA3 GLY 27 -7.338 13.898 -3.321 180 H LYS 28 H LYS 28 -9.012 15.761 -2.518 181 HA LYS 28 HA LYS 28 -8.032 17.374 -0.295 182 HB2 LYS 28 HB2 LYS 28 -9.718 18.312 -1.857 183 HB3 LYS 28 HB3 LYS 28 -10.827 17.003 -1.472 184 HG2 LYS 28 HG2 LYS 28 -11.556 18.972 -0.302 185 HG3 LYS 28 HG3 LYS 28 -10.931 17.824 0.883 186 HD2 LYS 28 HD2 LYS 28 -8.730 19.143 0.803 187 HD3 LYS 28 HD3 LYS 28 -9.594 20.364 -0.134 188 HE2 LYS 28 HE2 LYS 28 -10.240 19.465 2.697 189 HE3 LYS 28 HE3 LYS 28 -9.535 21.009 2.218 190 HZ1 LYS 28 HZ1 LYS 28 -11.575 21.541 1.052 191 HZ2 LYS 28 HZ2 LYS 28 -11.888 21.200 2.677 192 HZ3 LYS 28 HZ3 LYS 28 -12.249 20.053 1.491 193 H THR 29 H THR 29 -8.839 17.119 1.890 194 HA THR 29 HA THR 29 -8.874 14.577 2.957 195 HB THR 29 HB THR 29 -9.821 15.647 5.071 196 HG1 THR 29 HG1 THR 29 -10.218 17.892 4.985 197 HG21 THR 29 HG21 THR 29 -7.374 15.683 4.658 198 HG22 THR 29 HG22 THR 29 -7.900 17.162 5.464 199 HG23 THR 29 HG23 THR 29 -7.546 17.179 3.736 200 H ASP 30 H ASP 30 -11.602 16.367 1.735 201 HA ASP 30 HA ASP 30 -13.710 14.795 2.846 202 HB2 ASP 30 HB2 ASP 30 -13.712 16.630 0.409 203 HB3 ASP 30 HB3 ASP 30 -15.149 16.004 1.213 204 H ASP 31 H ASP 31 -11.509 14.090 0.344 205 HA ASP 31 HA ASP 31 -13.344 12.290 -1.117 206 HB2 ASP 31 HB2 ASP 31 -10.526 13.191 -1.863 207 HB3 ASP 31 HB3 ASP 31 -11.595 12.210 -2.862 208 H SER 32 H SER 32 -12.869 10.131 -1.425 209 HA SER 32 HA SER 32 -10.435 8.953 -0.187 210 HB2 SER 32 HB2 SER 32 -11.735 6.859 0.208 211 HB3 SER 32 HB3 SER 32 -12.444 8.216 1.083 212 HG SER 32 HG SER 32 -13.581 6.626 -0.758 213 H THR 33 H THR 33 -9.318 7.579 -1.492 214 HA THR 33 HA THR 33 -10.216 7.203 -4.315 215 HB THR 33 HB THR 33 -8.260 8.751 -4.140 216 HG1 THR 33 HG1 THR 33 -7.784 7.912 -6.001 217 HG21 THR 33 HG21 THR 33 -6.031 7.898 -3.492 218 HG22 THR 33 HG22 THR 33 -6.745 6.354 -3.027 219 HG23 THR 33 HG23 THR 33 -7.148 7.817 -2.125 220 H THR 34 H THR 34 -9.426 5.235 -5.394 221 HA THR 34 HA THR 34 -8.835 2.975 -3.546 222 HB THR 34 HB THR 34 -10.200 2.830 -6.278 223 HG1 THR 34 HG1 THR 34 -11.703 3.628 -4.902 224 HG21 THR 34 HG21 THR 34 -8.936 0.762 -5.749 225 HG22 THR 34 HG22 THR 34 -10.674 0.470 -5.677 226 HG23 THR 34 HG23 THR 34 -9.751 0.658 -4.184 227 H TYR 35 H TYR 35 -6.890 2.075 -3.779 228 HA TYR 35 HA TYR 35 -5.248 2.559 -6.202 229 HB2 TYR 35 HB2 TYR 35 -4.296 3.622 -4.214 230 HB3 TYR 35 HB3 TYR 35 -4.439 2.128 -3.293 231 HD1 TYR 35 HD2 TYR 35 -2.730 3.577 -6.306 232 HD2 TYR 35 HD1 TYR 35 -2.584 0.609 -3.215 233 HE1 TYR 35 HE2 TYR 35 -0.472 2.947 -7.018 234 HE2 TYR 35 HE1 TYR 35 -0.321 -0.017 -3.942 235 HH TYR 35 HH TYR 35 1.485 1.863 -6.220 236 H THR 36 H THR 36 -4.602 0.778 -7.364 237 HA THR 36 HA THR 36 -5.312 -1.907 -6.476 238 HB THR 36 HB THR 36 -3.933 -1.027 -9.054 239 HG1 THR 36 HG1 THR 36 -6.435 -1.907 -9.429 240 HG21 THR 36 HG21 THR 36 -5.243 -3.692 -8.341 241 HG22 THR 36 HG22 THR 36 -3.510 -3.420 -8.559 242 HG23 THR 36 HG23 THR 36 -4.610 -3.254 -9.928 243 H VAL 37 H VAL 37 -3.985 -3.020 -5.204 244 HA VAL 37 HA VAL 37 -1.161 -2.598 -4.893 245 HB VAL 37 HB VAL 37 -2.951 -4.872 -3.897 246 HG11 VAL 37 HG11 VAL 37 -0.179 -4.048 -2.953 247 HG12 VAL 37 HG12 VAL 37 -0.593 -5.520 -3.837 248 HG13 VAL 37 HG13 VAL 37 -1.197 -5.281 -2.197 249 HG21 VAL 37 HG21 VAL 37 -2.148 -2.303 -2.467 250 HG22 VAL 37 HG22 VAL 37 -3.065 -3.633 -1.755 251 HG23 VAL 37 HG23 VAL 37 -3.758 -2.698 -3.079 252 H THR 38 H THR 38 0.311 -3.350 -6.325 253 HA THR 38 HA THR 38 -0.306 -5.646 -8.098 254 HB THR 38 HB THR 38 1.591 -4.798 -9.517 255 HG1 THR 38 HG1 THR 38 2.648 -3.647 -7.712 256 HG21 THR 38 HG21 THR 38 -0.549 -2.709 -8.937 257 HG22 THR 38 HG22 THR 38 -0.732 -4.088 -10.026 258 HG23 THR 38 HG23 THR 38 0.425 -2.811 -10.406 259 H ILE 39 H ILE 39 0.608 -7.545 -7.632 260 HA ILE 39 HA ILE 39 2.730 -7.757 -5.621 261 HB ILE 39 HB ILE 39 1.155 -10.013 -6.951 262 HG12 ILE 39 HG12 ILE 39 -0.444 -8.570 -5.810 263 HG13 ILE 39 HG13 ILE 39 -0.228 -10.013 -4.828 264 HG21 ILE 39 HG21 ILE 39 1.860 -11.373 -4.994 265 HG22 ILE 39 HG22 ILE 39 2.825 -10.019 -4.400 266 HG23 ILE 39 HG23 ILE 39 3.248 -10.800 -5.925 267 HD11 ILE 39 HD11 ILE 39 1.271 -8.732 -3.333 268 HD12 ILE 39 HD12 ILE 39 -0.350 -8.045 -3.434 269 HD13 ILE 39 HD13 ILE 39 0.978 -7.290 -4.311 270 HA PRO 40 HA PRO 40 5.732 -8.484 -9.036 271 HB2 PRO 40 HB2 PRO 40 7.845 -8.561 -6.975 272 HB3 PRO 40 HB3 PRO 40 7.562 -7.347 -8.224 273 HG2 PRO 40 HG2 PRO 40 7.168 -6.847 -5.560 274 HG3 PRO 40 HG3 PRO 40 6.244 -6.029 -6.840 275 HD2 PRO 40 HD2 PRO 40 5.437 -8.404 -5.138 276 HD3 PRO 40 HD3 PRO 40 4.490 -6.957 -5.566 277 H ASP 41 H ASP 41 6.627 -10.325 -9.882 278 HA ASP 41 HA ASP 41 6.189 -12.887 -8.756 279 HB2 ASP 41 HB2 ASP 41 8.022 -12.073 -11.057 280 HB3 ASP 41 HB3 ASP 41 7.578 -13.736 -10.675 281 H GLY 42 H GLY 42 7.318 -13.978 -7.272 282 HA2 GLY 42 HA2 GLY 42 9.357 -14.812 -6.264 283 HA3 GLY 42 HA3 GLY 42 10.134 -13.271 -6.605 284 H TYR 43 H TYR 43 7.602 -11.831 -5.692 285 HA TYR 43 HA TYR 43 8.018 -11.990 -2.768 286 HB2 TYR 43 HB2 TYR 43 6.837 -9.722 -4.440 287 HB3 TYR 43 HB3 TYR 43 7.024 -9.708 -2.689 288 HD1 TYR 43 HD2 TYR 43 9.060 -9.915 -5.862 289 HD2 TYR 43 HD1 TYR 43 8.979 -8.810 -1.725 290 HE1 TYR 43 HE2 TYR 43 11.270 -8.870 -6.092 291 HE2 TYR 43 HE1 TYR 43 11.186 -7.770 -1.964 292 HH TYR 43 HH TYR 43 13.080 -7.770 -3.355 293 H GLU 44 H GLU 44 6.357 -12.661 -1.498 294 HA GLU 44 HA GLU 44 3.808 -13.460 -2.736 295 HB2 GLU 44 HB2 GLU 44 5.054 -14.363 -0.103 296 HB3 GLU 44 HB3 GLU 44 3.628 -15.052 -0.869 297 HG2 GLU 44 HG2 GLU 44 6.440 -15.145 -2.020 298 HG3 GLU 44 HG3 GLU 44 5.669 -16.455 -1.128 299 H TYR 45 H TYR 45 1.961 -12.442 -2.141 300 HA TYR 45 HA TYR 45 1.895 -10.164 -0.476 301 HB2 TYR 45 HB2 TYR 45 0.341 -10.505 -2.364 302 HB3 TYR 45 HB3 TYR 45 -0.412 -11.852 -1.524 303 HD1 TYR 45 HD2 TYR 45 0.293 -8.166 -1.042 304 HD2 TYR 45 HD1 TYR 45 -2.391 -11.415 -0.285 305 HE1 TYR 45 HE2 TYR 45 -1.318 -6.608 -0.050 306 HE2 TYR 45 HE1 TYR 45 -3.996 -9.852 0.711 307 HH TYR 45 HH TYR 45 -3.630 -6.432 0.460 308 H VAL 46 H VAL 46 2.029 -10.138 1.681 309 HA VAL 46 HA VAL 46 1.090 -12.375 3.338 310 HB VAL 46 HB VAL 46 2.617 -9.865 4.183 311 HG11 VAL 46 HG11 VAL 46 1.386 -10.851 6.070 312 HG12 VAL 46 HG12 VAL 46 3.119 -11.098 6.281 313 HG13 VAL 46 HG13 VAL 46 2.097 -12.434 5.741 314 HG21 VAL 46 HG21 VAL 46 4.633 -11.304 4.262 315 HG22 VAL 46 HG22 VAL 46 3.962 -11.211 2.633 316 HG23 VAL 46 HG23 VAL 46 3.695 -12.656 3.612 317 H GLY 47 H GLY 47 0.575 -8.881 2.865 318 HA2 GLY 47 HA2 GLY 47 -2.158 -8.835 3.282 319 HA3 GLY 47 HA3 GLY 47 -1.448 -8.590 4.874 320 H THR 48 H THR 48 -2.861 -6.596 4.392 321 HA THR 48 HA THR 48 -1.073 -4.380 3.549 322 HB THR 48 HB THR 48 -4.040 -4.666 2.897 323 HG1 THR 48 HG1 THR 48 -2.951 -4.059 0.738 324 HG21 THR 48 HG21 THR 48 -3.944 -2.399 1.888 325 HG22 THR 48 HG22 THR 48 -2.309 -2.182 2.515 326 HG23 THR 48 HG23 THR 48 -3.670 -2.332 3.630 327 H ASP 49 H ASP 49 -1.115 -2.603 4.873 328 HA ASP 49 HA ASP 49 -2.663 -2.727 7.399 329 HB2 ASP 49 HB2 ASP 49 -0.335 -3.544 7.713 330 HB3 ASP 49 HB3 ASP 49 0.292 -2.048 7.033 331 H GLY 50 H GLY 50 -3.140 -0.675 8.385 332 HA2 GLY 50 HA2 GLY 50 -3.105 1.665 8.630 333 HA3 GLY 50 HA3 GLY 50 -2.341 1.833 7.057 334 H GLY 51 H GLY 51 -3.781 1.219 5.144 335 HA2 GLY 51 HA2 GLY 51 -6.373 2.566 5.359 336 HA3 GLY 51 HA3 GLY 51 -5.593 1.997 3.890 337 H VAL 52 H VAL 52 -8.203 1.538 3.947 338 HA VAL 52 HA VAL 52 -8.851 -1.045 5.219 339 HB VAL 52 HB VAL 52 -10.681 0.649 3.452 340 HG11 VAL 52 HG11 VAL 52 -12.528 -0.602 4.534 341 HG12 VAL 52 HG12 VAL 52 -11.352 -1.567 5.432 342 HG13 VAL 52 HG13 VAL 52 -11.428 -1.682 3.672 343 HG21 VAL 52 HG21 VAL 52 -11.682 1.548 5.534 344 HG22 VAL 52 HG22 VAL 52 -9.984 2.000 5.378 345 HG23 VAL 52 HG23 VAL 52 -10.451 0.710 6.487 346 H VAL 53 H VAL 53 -8.148 -2.814 4.149 347 HA VAL 53 HA VAL 53 -7.695 -2.808 1.265 348 HB VAL 53 HB VAL 53 -6.023 -3.809 2.826 349 HG11 VAL 53 HG11 VAL 53 -6.393 -6.001 3.875 350 HG12 VAL 53 HG12 VAL 53 -8.073 -5.994 3.332 351 HG13 VAL 53 HG13 VAL 53 -7.518 -4.793 4.501 352 HG21 VAL 53 HG21 VAL 53 -5.532 -5.838 1.504 353 HG22 VAL 53 HG22 VAL 53 -6.024 -4.497 0.468 354 HG23 VAL 53 HG23 VAL 53 -7.163 -5.799 0.823 355 H SER 54 H SER 54 -8.715 -4.148 -0.230 356 HA SER 54 HA SER 54 -11.403 -5.003 0.177 357 HB2 SER 54 HB2 SER 54 -10.582 -4.259 -2.041 358 HB3 SER 54 HB3 SER 54 -9.481 -5.635 -2.112 359 HG SER 54 HG SER 54 -11.097 -6.642 -3.005 360 H SER 55 H SER 55 -12.164 -7.250 -0.249 361 HA SER 55 HA SER 55 -11.158 -9.028 1.703 362 HB2 SER 55 HB2 SER 55 -13.535 -8.983 1.071 363 HB3 SER 55 HB3 SER 55 -13.144 -9.580 -0.540 364 HG SER 55 HG SER 55 -13.229 -10.926 1.904 365 H ASP 56 H ASP 56 -10.565 -8.899 -1.771 366 HA ASP 56 HA ASP 56 -9.166 -11.477 -1.812 367 HB2 ASP 56 HB2 ASP 56 -8.970 -11.134 -4.233 368 HB3 ASP 56 HB3 ASP 56 -10.632 -10.908 -3.709 369 H GLY 57 H GLY 57 -8.332 -8.285 -1.075 370 HA2 GLY 57 HA2 GLY 57 -6.316 -7.335 -0.511 371 HA3 GLY 57 HA3 GLY 57 -5.514 -8.827 -0.950 372 H LYS 58 H LYS 58 -7.464 -7.538 -3.453 373 HA LYS 58 HA LYS 58 -5.179 -6.998 -5.152 374 HB2 LYS 58 HB2 LYS 58 -7.145 -8.113 -6.058 375 HB3 LYS 58 HB3 LYS 58 -8.175 -6.770 -5.592 376 HG2 LYS 58 HG2 LYS 58 -6.913 -5.328 -7.247 377 HG3 LYS 58 HG3 LYS 58 -6.072 -6.783 -7.781 378 HD2 LYS 58 HD2 LYS 58 -7.860 -6.416 -9.331 379 HD3 LYS 58 HD3 LYS 58 -8.340 -7.784 -8.331 380 HE2 LYS 58 HE2 LYS 58 -9.293 -4.929 -7.877 381 HE3 LYS 58 HE3 LYS 58 -10.179 -6.126 -8.811 382 HZ1 LYS 58 HZ1 LYS 58 -9.559 -6.247 -5.916 383 HZ2 LYS 58 HZ2 LYS 58 -10.261 -7.508 -6.787 384 HZ3 LYS 58 HZ3 LYS 58 -11.074 -6.037 -6.631 385 H THR 59 H THR 59 -7.601 -5.035 -3.465 386 HA THR 59 HA THR 59 -6.261 -2.531 -4.351 387 HB THR 59 HB THR 59 -8.531 -1.404 -4.460 388 HG1 THR 59 HG1 THR 59 -10.306 -2.513 -4.057 389 HG21 THR 59 HG21 THR 59 -8.206 -3.719 -6.414 390 HG22 THR 59 HG22 THR 59 -7.444 -2.131 -6.567 391 HG23 THR 59 HG23 THR 59 -9.201 -2.282 -6.667 392 H VAL 60 H VAL 60 -6.817 -0.648 -2.984 393 HA VAL 60 HA VAL 60 -7.781 -1.154 -0.256 394 HB VAL 60 HB VAL 60 -5.349 -1.565 -0.082 395 HG11 VAL 60 HG11 VAL 60 -3.653 0.155 -0.550 396 HG12 VAL 60 HG12 VAL 60 -4.901 1.231 -1.183 397 HG13 VAL 60 HG13 VAL 60 -4.540 -0.285 -2.012 398 HG21 VAL 60 HG21 VAL 60 -4.793 0.039 1.718 399 HG22 VAL 60 HG22 VAL 60 -6.466 -0.502 1.841 400 HG23 VAL 60 HG23 VAL 60 -6.107 1.099 1.193 401 H THR 61 H THR 61 -9.045 0.569 0.447 402 HA THR 61 HA THR 61 -9.107 3.018 -1.168 403 HB THR 61 HB THR 61 -11.287 2.056 -0.619 404 HG1 THR 61 HG1 THR 61 -12.189 4.000 -0.225 405 HG21 THR 61 HG21 THR 61 -10.830 1.073 1.594 406 HG22 THR 61 HG22 THR 61 -12.244 2.129 1.626 407 HG23 THR 61 HG23 THR 61 -10.706 2.694 2.284 408 H ILE 62 H ILE 62 -8.122 4.801 -0.643 409 HA ILE 62 HA ILE 62 -6.875 5.197 2.021 410 HB ILE 62 HB ILE 62 -5.891 6.345 -0.639 411 HG12 ILE 62 HG12 ILE 62 -4.910 3.775 0.701 412 HG13 ILE 62 HG13 ILE 62 -5.889 3.839 -0.758 413 HG21 ILE 62 HG21 ILE 62 -5.086 7.506 1.386 414 HG22 ILE 62 HG22 ILE 62 -3.757 6.675 0.578 415 HG23 ILE 62 HG23 ILE 62 -4.476 5.983 2.036 416 HD11 ILE 62 HD11 ILE 62 -3.088 4.891 -0.454 417 HD12 ILE 62 HD12 ILE 62 -4.070 4.981 -1.919 418 HD13 ILE 62 HD13 ILE 62 -3.581 3.412 -1.280 419 H THR 63 H THR 63 -7.746 6.907 3.114 420 HA THR 63 HA THR 63 -9.105 9.071 1.593 421 HB THR 63 HB THR 63 -9.567 8.482 4.554 422 HG1 THR 63 HG1 THR 63 -10.417 7.059 2.360 423 HG21 THR 63 HG21 THR 63 -11.691 9.696 4.157 424 HG22 THR 63 HG22 THR 63 -11.260 9.919 2.457 425 HG23 THR 63 HG23 THR 63 -10.315 10.716 3.723 426 H PHE 64 H PHE 64 -8.379 11.118 1.791 427 HA PHE 64 HA PHE 64 -5.664 11.459 2.695 428 HB2 PHE 64 HB2 PHE 64 -7.532 13.592 1.553 429 HB3 PHE 64 HB3 PHE 64 -5.766 13.611 1.558 430 HD1 PHE 64 HD2 PHE 64 -4.504 11.952 0.104 431 HD2 PHE 64 HD1 PHE 64 -8.747 12.445 -0.191 432 HE1 PHE 64 HE2 PHE 64 -4.506 10.805 -2.063 433 HE2 PHE 64 HE1 PHE 64 -8.735 11.287 -2.352 434 HZ PHE 64 HZ PHE 64 -6.611 10.467 -3.295 435 H ALA 65 H ALA 65 -4.881 12.728 4.412 436 HA ALA 65 HA ALA 65 -6.716 14.219 6.144 437 HB1 ALA 65 HB1 ALA 65 -5.277 11.761 7.216 438 HB2 ALA 65 HB2 ALA 65 -7.010 11.880 6.913 439 HB3 ALA 65 HB3 ALA 65 -6.263 12.882 8.160 440 H ALA 66 H ALA 66 -5.702 15.564 7.648 441 HA ALA 66 HA ALA 66 -2.908 16.269 7.305 442 HB1 ALA 66 HB1 ALA 66 -3.440 18.046 8.946 443 HB2 ALA 66 HB2 ALA 66 -5.017 17.306 9.242 444 HB3 ALA 66 HB3 ALA 66 -4.645 17.988 7.657 445 H ASP 67 H ASP 67 -3.670 13.575 8.452 446 HA ASP 67 HA ASP 67 -2.165 13.572 10.978 447 HB2 ASP 67 HB2 ASP 67 -4.655 13.468 11.378 448 HB3 ASP 67 HB3 ASP 67 -4.735 12.016 10.387 449 H ASP 68 H ASP 68 -1.226 11.448 11.462 450 HA ASP 68 HA ASP 68 0.160 10.298 9.272 451 HB2 ASP 68 HB2 ASP 68 -0.088 9.306 12.143 452 HB3 ASP 68 HB3 ASP 68 1.120 8.761 10.980 453 H SER 69 H SER 69 -2.972 9.577 10.344 454 HA SER 69 HA SER 69 -3.194 6.796 9.895 455 HB2 SER 69 HB2 SER 69 -5.645 7.256 9.752 456 HB3 SER 69 HB3 SER 69 -4.883 8.048 11.131 457 HG SER 69 HG SER 69 -5.466 9.900 10.352 458 H ASP 70 H ASP 70 -2.619 9.232 7.576 459 HA ASP 70 HA ASP 70 -4.104 8.356 5.328 460 HB2 ASP 70 HB2 ASP 70 -2.625 9.788 4.026 461 HB3 ASP 70 HB3 ASP 70 -2.963 10.587 5.557 462 H ASN 71 H ASN 71 -1.098 7.244 6.710 463 HA ASN 71 HA ASN 71 0.182 6.126 4.492 464 HB2 ASN 71 HB2 ASN 71 1.687 5.057 6.052 465 HB3 ASN 71 HB3 ASN 71 1.283 6.648 6.674 466 HD21 ASN 71 HD21 ASN 71 -1.371 5.694 7.729 467 HD22 ASN 71 HD22 ASN 71 -0.974 4.777 9.127 468 H VAL 72 H VAL 72 0.015 4.271 3.394 469 HA VAL 72 HA VAL 72 -1.406 1.929 4.545 470 HB VAL 72 HB VAL 72 -1.300 2.774 1.601 471 HG11 VAL 72 HG11 VAL 72 -1.271 0.335 1.799 472 HG12 VAL 72 HG12 VAL 72 -2.830 0.870 1.173 473 HG13 VAL 72 HG13 VAL 72 -2.680 0.372 2.862 474 HG21 VAL 72 HG21 VAL 72 -2.854 4.192 2.860 475 HG22 VAL 72 HG22 VAL 72 -3.658 2.772 3.531 476 HG23 VAL 72 HG23 VAL 72 -3.758 3.108 1.801 477 H VAL 73 H VAL 73 0.020 0.333 4.937 478 HA VAL 73 HA VAL 73 2.574 0.211 3.438 479 HB VAL 73 HB VAL 73 1.954 -0.924 6.215 480 HG11 VAL 73 HG11 VAL 73 4.408 -1.257 6.401 481 HG12 VAL 73 HG12 VAL 73 4.611 -0.703 4.735 482 HG13 VAL 73 HG13 VAL 73 3.722 -2.191 5.069 483 HG21 VAL 73 HG21 VAL 73 1.926 1.539 6.272 484 HG22 VAL 73 HG22 VAL 73 3.510 1.598 5.496 485 HG23 VAL 73 HG23 VAL 73 3.347 0.919 7.118 486 H ILE 74 H ILE 74 2.511 -1.305 1.898 487 HA ILE 74 HA ILE 74 0.782 -3.656 2.047 488 HB ILE 74 HB ILE 74 2.794 -2.935 -0.143 489 HG12 ILE 74 HG12 ILE 74 1.210 -1.072 0.036 490 HG13 ILE 74 HG13 ILE 74 0.853 -1.985 -1.424 491 HG21 ILE 74 HG21 ILE 74 2.113 -5.295 -0.185 492 HG22 ILE 74 HG22 ILE 74 1.426 -4.445 -1.569 493 HG23 ILE 74 HG23 ILE 74 0.408 -4.833 -0.179 494 HD11 ILE 74 HD11 ILE 74 -1.038 -3.063 -0.241 495 HD12 ILE 74 HD12 ILE 74 -1.188 -1.308 -0.331 496 HD13 ILE 74 HD13 ILE 74 -0.682 -2.070 1.175 497 H HIS 75 H HIS 75 1.524 -5.523 2.968 498 HA HIS 75 HA HIS 75 4.388 -5.861 3.530 499 HB2 HIS 75 HB2 HIS 75 1.918 -7.208 4.689 500 HB3 HIS 75 HB3 HIS 75 3.576 -7.663 5.106 501 HD1 HIS 75 HD1 HIS 75 4.872 -6.121 6.666 502 HD2 HIS 75 HD2 HIS 75 1.104 -4.646 5.707 503 HE1 HIS 75 HE1 HIS 75 4.505 -4.166 8.182 504 HE2 HIS 75 HE2 HIS 75 2.284 -3.227 7.515 505 H LEU 76 H LEU 76 5.538 -7.097 2.260 506 HA LEU 76 HA LEU 76 4.383 -9.467 0.888 507 HB2 LEU 76 HB2 LEU 76 6.658 -7.671 -0.076 508 HB3 LEU 76 HB3 LEU 76 6.040 -9.086 -0.919 509 HG LEU 76 HG LEU 76 4.460 -6.528 -0.414 510 HD11 LEU 76 HD11 LEU 76 5.723 -7.498 -2.995 511 HD12 LEU 76 HD12 LEU 76 6.264 -6.128 -2.020 512 HD13 LEU 76 HD13 LEU 76 4.690 -6.077 -2.811 513 HD21 LEU 76 HD21 LEU 76 3.000 -8.517 -0.521 514 HD22 LEU 76 HD22 LEU 76 3.702 -8.955 -2.083 515 HD23 LEU 76 HD23 LEU 76 2.766 -7.467 -1.922 516 H LYS 77 H LYS 77 6.147 -11.125 0.421 517 HA LYS 77 HA LYS 77 8.496 -11.038 2.189 518 HB2 LYS 77 HB2 LYS 77 8.096 -13.136 3.250 519 HB3 LYS 77 HB3 LYS 77 6.586 -12.251 3.404 520 HG2 LYS 77 HG2 LYS 77 5.623 -13.551 1.538 521 HG3 LYS 77 HG3 LYS 77 7.144 -14.428 1.359 522 HD2 LYS 77 HD2 LYS 77 5.254 -14.513 3.741 523 HD3 LYS 77 HD3 LYS 77 5.561 -15.806 2.582 524 HE2 LYS 77 HE2 LYS 77 7.500 -14.715 4.655 525 HE3 LYS 77 HE3 LYS 77 6.762 -16.314 4.628 526 HZ1 LYS 77 HZ1 LYS 77 8.799 -15.241 2.756 527 HZ2 LYS 77 HZ2 LYS 77 7.982 -16.699 2.509 528 HZ3 LYS 77 HZ3 LYS 77 8.979 -16.512 3.858 529 H HIS 78 H HIS 78 9.990 -12.986 1.623 530 HA HIS 78 HA HIS 78 10.066 -13.317 -1.300 531 HB2 HIS 78 HB2 HIS 78 12.072 -14.110 0.848 532 HB3 HIS 78 HB3 HIS 78 12.323 -14.329 -0.884 533 HD1 HIS 78 HD1 HIS 78 13.894 -12.412 1.236 534 HD2 HIS 78 HD2 HIS 78 11.260 -11.265 -1.771 535 HE1 HIS 78 HE1 HIS 78 14.494 -10.054 0.692 536 HE2 HIS 78 HE2 HIS 78 12.744 -9.321 -0.954 537 H GLY 79 H GLY 79 9.948 -15.250 -2.375 538 HA2 GLY 79 HA2 GLY 79 9.101 -17.679 -0.901 539 HA3 GLY 79 HA3 GLY 79 8.818 -17.345 -2.602 540 H LEU 80 H LEU 80 9.736 -19.346 -3.234 541 HA LEU 80 HA LEU 80 12.519 -19.976 -2.683 542 HB2 LEU 80 HB2 LEU 80 10.587 -21.182 -4.703 543 HB3 LEU 80 HB3 LEU 80 12.179 -21.821 -4.322 544 HG LEU 80 HG LEU 80 9.822 -21.677 -2.393 545 HD11 LEU 80 HD11 LEU 80 9.807 -24.130 -2.526 546 HD12 LEU 80 HD12 LEU 80 11.084 -24.080 -3.744 547 HD13 LEU 80 HD13 LEU 80 9.498 -23.393 -4.098 548 HD21 LEU 80 HD21 LEU 80 12.602 -22.829 -1.935 549 HD22 LEU 80 HD22 LEU 80 11.235 -22.971 -0.827 550 HD23 LEU 80 HD23 LEU 80 11.928 -21.388 -1.166 551 H GLU 81 H GLU 81 14.224 -19.020 -3.686 552 HA GLU 81 HA GLU 81 13.886 -17.095 -5.764 553 HB2 GLU 81 HB2 GLU 81 16.352 -16.832 -5.663 554 HB3 GLU 81 HB3 GLU 81 15.611 -16.781 -4.069 555 HG2 GLU 81 HG2 GLU 81 16.363 -19.031 -3.566 556 HG3 GLU 81 HG3 GLU 81 16.951 -19.253 -5.215 557 H HIS 82 H HIS 82 14.420 -17.138 -7.924 558 HA HIS 82 HA HIS 82 14.897 -19.784 -9.190 559 HB2 HIS 82 HB2 HIS 82 13.480 -17.344 -10.358 560 HB3 HIS 82 HB3 HIS 82 13.652 -18.917 -11.133 561 HD1 HIS 82 HD1 HIS 82 12.225 -20.878 -10.117 562 HD2 HIS 82 HD2 HIS 82 11.397 -17.157 -8.494 563 HE1 HIS 82 HE1 HIS 82 10.051 -21.150 -8.921 564 HE2 HIS 82 HE2 HIS 82 9.682 -18.946 -7.782 565 H HIS 83 H HIS 83 17.124 -19.768 -9.377 566 HA HIS 83 HA HIS 83 18.321 -17.795 -11.247 567 HB2 HIS 83 HB2 HIS 83 19.627 -18.792 -8.675 568 HB3 HIS 83 HB3 HIS 83 20.442 -17.830 -9.904 569 HD1 HIS 83 HD1 HIS 83 18.812 -17.438 -6.771 570 HD2 HIS 83 HD2 HIS 83 18.925 -15.199 -10.260 571 HE1 HIS 83 HE1 HIS 83 18.089 -15.137 -6.114 572 HE2 HIS 83 HE2 HIS 83 18.319 -13.771 -8.204 573 H HIS 84 H HIS 84 20.269 -18.575 -12.313 574 HA HIS 84 HA HIS 84 20.179 -21.470 -12.913 575 HB2 HIS 84 HB2 HIS 84 21.367 -20.828 -15.024 576 HB3 HIS 84 HB3 HIS 84 19.811 -20.025 -14.847 577 HD1 HIS 84 HD1 HIS 84 23.477 -19.342 -14.988 578 HD2 HIS 84 HD2 HIS 84 19.958 -17.198 -14.497 579 HE1 HIS 84 HE1 HIS 84 24.114 -16.940 -15.242 580 HE2 HIS 84 HE2 HIS 84 22.009 -15.661 -14.758 581 H HIS 85 H HIS 85 22.524 -22.203 -13.800 582 HA HIS 85 HA HIS 85 24.344 -22.192 -11.591 583 HB2 HIS 85 HB2 HIS 85 24.131 -24.100 -13.181 584 HB3 HIS 85 HB3 HIS 85 24.784 -23.098 -14.472 585 HD1 HIS 85 HD1 HIS 85 27.345 -22.752 -14.511 586 HD2 HIS 85 HD2 HIS 85 26.052 -25.004 -11.268 587 HE1 HIS 85 HE1 HIS 85 29.407 -23.740 -13.502 588 HE2 HIS 85 HE2 HIS 85 28.617 -25.005 -11.492 589 H HIS 86 H HIS 86 26.262 -21.047 -11.278 590 HA HIS 86 HA HIS 86 26.543 -18.469 -12.384 591 HB2 HIS 86 HB2 HIS 86 27.341 -19.100 -10.106 592 HB3 HIS 86 HB3 HIS 86 28.614 -20.081 -10.828 593 HD1 HIS 86 HD1 HIS 86 30.588 -18.770 -12.001 594 HD2 HIS 86 HD2 HIS 86 27.871 -16.341 -10.010 595 HE1 HIS 86 HE1 HIS 86 31.682 -16.535 -11.830 596 HE2 HIS 86 HE2 HIS 86 29.944 -15.039 -10.816 597 H HIS 87 H HIS 87 27.613 -17.723 -14.122 598 HA HIS 87 HA HIS 87 28.581 -19.372 -16.189 599 HB2 HIS 87 HB2 HIS 87 27.596 -17.094 -16.514 600 HB3 HIS 87 HB3 HIS 87 29.035 -16.376 -15.799 601 HD1 HIS 87 HD1 HIS 87 28.107 -18.568 -18.754 602 HD2 HIS 87 HD2 HIS 87 30.959 -15.748 -17.676 603 HE1 HIS 87 HE1 HIS 87 29.487 -18.184 -20.804 604 HE2 HIS 87 HE2 HIS 87 31.100 -16.372 -20.176 Start of MODEL 3 1 H1 MET 1 H1 MET 1 -5.611 24.135 2.231 2 H2 MET 1 H2 MET 1 -4.843 24.359 3.718 3 H3 MET 1 H3 MET 1 -6.144 23.291 3.596 4 HA MET 1 HA MET 1 -3.539 22.981 2.228 5 HB2 MET 1 HB2 MET 1 -3.311 22.699 4.672 6 HB3 MET 1 HB3 MET 1 -4.639 21.548 4.695 7 HG2 MET 1 HG2 MET 1 -3.289 19.987 3.319 8 HG3 MET 1 HG3 MET 1 -1.955 21.144 3.346 9 HE1 MET 1 HE1 MET 1 -0.421 19.066 4.248 10 HE2 MET 1 HE2 MET 1 -1.839 18.015 4.274 11 HE3 MET 1 HE3 MET 1 -0.815 18.154 5.704 12 H ASP 2 H ASP 2 -3.425 21.262 0.753 13 HA ASP 2 HA ASP 2 -5.781 19.499 0.426 14 HB2 ASP 2 HB2 ASP 2 -3.402 19.979 -1.429 15 HB3 ASP 2 HB3 ASP 2 -4.736 18.873 -1.760 16 H GLU 3 H GLU 3 -5.508 17.232 0.494 17 HA GLU 3 HA GLU 3 -3.372 16.466 2.393 18 HB2 GLU 3 HB2 GLU 3 -6.156 15.346 1.877 19 HB3 GLU 3 HB3 GLU 3 -4.998 14.583 2.961 20 HG2 GLU 3 HG2 GLU 3 -6.602 15.853 4.244 21 HG3 GLU 3 HG3 GLU 3 -5.015 16.595 4.393 22 H ASP 4 H ASP 4 -2.039 14.724 2.021 23 HA ASP 4 HA ASP 4 -2.501 13.045 -0.379 24 HB2 ASP 4 HB2 ASP 4 -0.101 12.947 -0.801 25 HB3 ASP 4 HB3 ASP 4 -0.616 14.625 -0.760 26 H ALA 5 H ALA 5 -1.497 10.922 -0.282 27 HA ALA 5 HA ALA 5 -0.978 9.818 2.411 28 HB1 ALA 5 HB1 ALA 5 -2.368 7.850 1.890 29 HB2 ALA 5 HB2 ALA 5 -2.827 8.568 0.342 30 HB3 ALA 5 HB3 ALA 5 -3.330 9.328 1.852 31 H THR 6 H THR 6 0.695 8.359 2.450 32 HA THR 6 HA THR 6 2.269 8.077 -0.037 33 HB THR 6 HB THR 6 4.212 7.701 1.454 34 HG1 THR 6 HG1 THR 6 3.119 8.462 3.808 35 HG21 THR 6 HG21 THR 6 2.613 10.172 2.231 36 HG22 THR 6 HG22 THR 6 3.683 10.034 0.833 37 HG23 THR 6 HG23 THR 6 4.349 9.960 2.466 38 H ILE 7 H ILE 7 2.532 6.128 -0.952 39 HA ILE 7 HA ILE 7 1.551 3.682 0.413 40 HB ILE 7 HB ILE 7 1.938 4.097 -2.592 41 HG12 ILE 7 HG12 ILE 7 -0.737 4.257 -1.122 42 HG13 ILE 7 HG13 ILE 7 0.202 5.679 -1.555 43 HG21 ILE 7 HG21 ILE 7 0.464 2.107 -2.807 44 HG22 ILE 7 HG22 ILE 7 0.395 1.964 -1.050 45 HG23 ILE 7 HG23 ILE 7 1.928 1.734 -1.895 46 HD11 ILE 7 HD11 ILE 7 -0.001 5.099 -3.920 47 HD12 ILE 7 HD12 ILE 7 -1.573 5.283 -3.142 48 HD13 ILE 7 HD13 ILE 7 -0.946 3.671 -3.485 49 H THR 8 H THR 8 3.321 2.698 1.316 50 HA THR 8 HA THR 8 5.894 2.605 -0.150 51 HB THR 8 HB THR 8 5.451 2.360 2.869 52 HG1 THR 8 HG1 THR 8 5.052 4.472 2.350 53 HG21 THR 8 HG21 THR 8 7.902 2.652 3.033 54 HG22 THR 8 HG22 THR 8 8.030 2.714 1.273 55 HG23 THR 8 HG23 THR 8 7.518 1.224 2.071 56 H TYR 9 H TYR 9 5.975 0.639 -1.170 57 HA TYR 9 HA TYR 9 5.071 -1.835 -0.018 58 HB2 TYR 9 HB2 TYR 9 6.971 -1.239 -2.332 59 HB3 TYR 9 HB3 TYR 9 6.545 -2.876 -1.848 60 HD1 TYR 9 HD1 TYR 9 4.184 -3.690 -2.112 61 HD2 TYR 9 HD2 TYR 9 5.394 0.115 -3.649 62 HE1 TYR 9 HE1 TYR 9 2.185 -3.631 -3.538 63 HE2 TYR 9 HE2 TYR 9 3.393 0.173 -5.073 64 HH TYR 9 HH TYR 9 1.840 -1.625 -6.118 65 H VAL 10 H VAL 10 6.120 -3.113 1.398 66 HA VAL 10 HA VAL 10 9.018 -2.823 1.890 67 HB VAL 10 HB VAL 10 8.696 -3.160 4.318 68 HG11 VAL 10 HG11 VAL 10 8.882 -0.847 3.528 69 HG12 VAL 10 HG12 VAL 10 7.820 -0.934 4.934 70 HG13 VAL 10 HG13 VAL 10 7.131 -0.754 3.318 71 HG21 VAL 10 HG21 VAL 10 6.466 -3.003 5.395 72 HG22 VAL 10 HG22 VAL 10 6.567 -4.401 4.324 73 HG23 VAL 10 HG23 VAL 10 5.699 -2.956 3.804 74 H ASP 11 H ASP 11 10.058 -4.739 2.524 75 HA ASP 11 HA ASP 11 8.729 -7.196 1.695 76 HB2 ASP 11 HB2 ASP 11 10.956 -6.676 0.746 77 HB3 ASP 11 HB3 ASP 11 11.659 -6.670 2.362 78 H ASP 12 H ASP 12 7.554 -8.006 3.249 79 HA ASP 12 HA ASP 12 7.858 -7.930 6.021 80 HB2 ASP 12 HB2 ASP 12 5.782 -8.436 4.653 81 HB3 ASP 12 HB3 ASP 12 6.429 -10.042 4.349 82 H ASP 13 H ASP 13 9.290 -10.082 3.620 83 HA ASP 13 HA ASP 13 10.196 -12.140 5.405 84 HB2 ASP 13 HB2 ASP 13 9.891 -12.438 2.935 85 HB3 ASP 13 HB3 ASP 13 11.255 -11.365 2.650 86 H LYS 14 H LYS 14 11.297 -8.929 4.840 87 HA LYS 14 HA LYS 14 13.875 -9.442 6.221 88 HB2 LYS 14 HB2 LYS 14 13.404 -8.085 3.730 89 HB3 LYS 14 HB3 LYS 14 13.804 -6.832 4.883 90 HG2 LYS 14 HG2 LYS 14 15.984 -7.276 4.508 91 HG3 LYS 14 HG3 LYS 14 15.764 -8.809 5.341 92 HD2 LYS 14 HD2 LYS 14 15.533 -8.333 2.341 93 HD3 LYS 14 HD3 LYS 14 16.853 -9.151 3.172 94 HE2 LYS 14 HE2 LYS 14 13.987 -10.124 2.972 95 HE3 LYS 14 HE3 LYS 14 15.369 -10.783 2.106 96 HZ1 LYS 14 HZ1 LYS 14 14.756 -12.124 4.005 97 HZ2 LYS 14 HZ2 LYS 14 14.998 -10.815 5.046 98 HZ3 LYS 14 HZ3 LYS 14 16.305 -11.476 4.205 99 H GLY 15 H GLY 15 11.035 -8.822 7.197 100 HA2 GLY 15 HA2 GLY 15 10.058 -7.740 8.963 101 HA3 GLY 15 HA3 GLY 15 11.666 -7.250 9.458 102 H GLY 16 H GLY 16 10.625 -6.169 6.321 103 HA2 GLY 16 HA2 GLY 16 9.224 -4.221 5.886 104 HA3 GLY 16 HA3 GLY 16 9.800 -3.511 7.382 105 H ALA 17 H ALA 17 11.473 -4.986 4.551 106 HA ALA 17 HA ALA 17 13.257 -2.643 4.337 107 HB1 ALA 17 HB1 ALA 17 13.330 -5.305 2.866 108 HB2 ALA 17 HB2 ALA 17 14.263 -4.898 4.305 109 HB3 ALA 17 HB3 ALA 17 14.564 -4.043 2.793 110 H GLN 18 H GLN 18 12.922 -1.062 2.822 111 HA GLN 18 HA GLN 18 10.487 -0.909 1.421 112 HB2 GLN 18 HB2 GLN 18 11.748 1.061 2.232 113 HB3 GLN 18 HB3 GLN 18 12.991 0.774 1.020 114 HG2 GLN 18 HG2 GLN 18 11.288 1.171 -0.770 115 HG3 GLN 18 HG3 GLN 18 10.095 1.528 0.481 116 HE21 GLN 18 HE21 GLN 18 9.782 3.660 -0.204 117 HE22 GLN 18 HE22 GLN 18 10.981 4.888 -0.025 118 H VAL 19 H VAL 19 9.874 -1.711 -0.467 119 HA VAL 19 HA VAL 19 11.788 -2.867 -2.378 120 HB VAL 19 HB VAL 19 8.743 -3.176 -2.227 121 HG11 VAL 19 HG11 VAL 19 10.760 -4.707 -3.913 122 HG12 VAL 19 HG12 VAL 19 9.576 -3.543 -4.508 123 HG13 VAL 19 HG13 VAL 19 9.034 -5.065 -3.802 124 HG21 VAL 19 HG21 VAL 19 9.168 -5.439 -1.311 125 HG22 VAL 19 HG22 VAL 19 9.830 -4.187 -0.258 126 HG23 VAL 19 HG23 VAL 19 10.905 -5.114 -1.305 127 H GLY 20 H GLY 20 12.458 -1.391 -3.864 128 HA2 GLY 20 HA2 GLY 20 12.381 0.146 -5.594 129 HA3 GLY 20 HA3 GLY 20 10.627 0.116 -5.526 130 H ASP 21 H ASP 21 9.571 1.807 -4.535 131 HA ASP 21 HA ASP 21 10.729 3.453 -2.493 132 HB2 ASP 21 HB2 ASP 21 10.806 5.604 -3.712 133 HB3 ASP 21 HB3 ASP 21 11.927 4.444 -4.411 134 H ILE 22 H ILE 22 9.229 5.648 -2.419 135 HA ILE 22 HA ILE 22 6.617 4.618 -1.680 136 HB ILE 22 HB ILE 22 7.785 7.433 -1.415 137 HG12 ILE 22 HG12 ILE 22 7.607 5.191 0.662 138 HG13 ILE 22 HG13 ILE 22 9.079 5.716 -0.143 139 HG21 ILE 22 HG21 ILE 22 5.320 7.486 -1.334 140 HG22 ILE 22 HG22 ILE 22 5.992 7.833 0.257 141 HG23 ILE 22 HG23 ILE 22 5.316 6.240 -0.083 142 HD11 ILE 22 HD11 ILE 22 7.418 7.352 1.769 143 HD12 ILE 22 HD12 ILE 22 8.880 7.905 0.948 144 HD13 ILE 22 HD13 ILE 22 8.966 6.578 2.105 145 H VAL 23 H VAL 23 4.643 5.097 -2.643 146 HA VAL 23 HA VAL 23 4.551 6.829 -5.052 147 HB VAL 23 HB VAL 23 2.441 4.813 -4.118 148 HG11 VAL 23 HG11 VAL 23 2.770 6.206 -6.802 149 HG12 VAL 23 HG12 VAL 23 1.542 6.559 -5.585 150 HG13 VAL 23 HG13 VAL 23 1.539 5.001 -6.409 151 HG21 VAL 23 HG21 VAL 23 4.505 3.583 -4.629 152 HG22 VAL 23 HG22 VAL 23 4.593 4.350 -6.216 153 HG23 VAL 23 HG23 VAL 23 3.264 3.251 -5.841 154 H THR 24 H THR 24 4.208 8.884 -4.156 155 HA THR 24 HA THR 24 2.207 9.322 -2.064 156 HB THR 24 HB THR 24 3.752 11.418 -3.659 157 HG1 THR 24 HG1 THR 24 4.774 11.333 -1.279 158 HG21 THR 24 HG21 THR 24 3.217 12.920 -1.748 159 HG22 THR 24 HG22 THR 24 2.255 11.639 -1.009 160 HG23 THR 24 HG23 THR 24 1.751 12.350 -2.545 161 H VAL 25 H VAL 25 0.093 9.319 -2.664 162 HA VAL 25 HA VAL 25 -0.710 10.598 -5.218 163 HB VAL 25 HB VAL 25 -2.949 9.505 -4.881 164 HG11 VAL 25 HG11 VAL 25 -1.254 8.368 -6.267 165 HG12 VAL 25 HG12 VAL 25 -2.255 7.191 -5.418 166 HG13 VAL 25 HG13 VAL 25 -0.623 7.537 -4.841 167 HG21 VAL 25 HG21 VAL 25 -1.657 8.129 -2.481 168 HG22 VAL 25 HG22 VAL 25 -3.239 7.736 -3.158 169 HG23 VAL 25 HG23 VAL 25 -2.969 9.311 -2.416 170 H THR 26 H THR 26 -2.087 12.382 -5.234 171 HA THR 26 HA THR 26 -2.621 13.686 -2.610 172 HB THR 26 HB THR 26 -2.638 15.877 -3.844 173 HG1 THR 26 HG1 THR 26 -1.665 15.876 -5.964 174 HG21 THR 26 HG21 THR 26 -0.593 15.194 -2.656 175 HG22 THR 26 HG22 THR 26 -0.198 16.102 -4.116 176 HG23 THR 26 HG23 THR 26 -0.023 14.344 -4.099 177 H GLY 27 H GLY 27 -4.570 14.622 -2.235 178 HA2 GLY 27 HA2 GLY 27 -6.693 14.920 -4.134 179 HA3 GLY 27 HA3 GLY 27 -6.931 13.506 -3.105 180 H LYS 28 H LYS 28 -8.621 14.211 -1.839 181 HA LYS 28 HA LYS 28 -8.151 16.539 -0.076 182 HB2 LYS 28 HB2 LYS 28 -9.677 17.022 -2.167 183 HB3 LYS 28 HB3 LYS 28 -10.887 16.057 -1.333 184 HG2 LYS 28 HG2 LYS 28 -11.274 18.429 -0.933 185 HG3 LYS 28 HG3 LYS 28 -10.807 17.640 0.581 186 HD2 LYS 28 HD2 LYS 28 -8.526 18.514 0.389 187 HD3 LYS 28 HD3 LYS 28 -8.877 19.182 -1.208 188 HE2 LYS 28 HE2 LYS 28 -10.465 20.766 -0.221 189 HE3 LYS 28 HE3 LYS 28 -10.202 20.065 1.378 190 HZ1 LYS 28 HZ1 LYS 28 -8.066 21.329 -0.250 191 HZ2 LYS 28 HZ2 LYS 28 -7.959 20.810 1.359 192 HZ3 LYS 28 HZ3 LYS 28 -8.936 22.129 0.961 193 H THR 29 H THR 29 -8.921 16.309 1.985 194 HA THR 29 HA THR 29 -9.130 13.759 3.095 195 HB THR 29 HB THR 29 -8.361 15.652 4.417 196 HG1 THR 29 HG1 THR 29 -9.677 13.747 5.356 197 HG21 THR 29 HG21 THR 29 -9.920 17.351 5.321 198 HG22 THR 29 HG22 THR 29 -11.230 16.663 4.360 199 HG23 THR 29 HG23 THR 29 -9.850 17.416 3.558 200 H ASP 30 H ASP 30 -11.688 15.649 1.774 201 HA ASP 30 HA ASP 30 -13.943 14.562 3.101 202 HB2 ASP 30 HB2 ASP 30 -13.668 15.743 0.298 203 HB3 ASP 30 HB3 ASP 30 -15.195 15.471 1.128 204 H ASP 31 H ASP 31 -12.075 13.527 0.286 205 HA ASP 31 HA ASP 31 -13.974 11.317 -0.276 206 HB2 ASP 31 HB2 ASP 31 -11.983 12.686 -2.132 207 HB3 ASP 31 HB3 ASP 31 -13.046 11.356 -2.588 208 H SER 32 H SER 32 -13.093 9.386 -1.186 209 HA SER 32 HA SER 32 -10.388 8.603 -0.237 210 HB2 SER 32 HB2 SER 32 -11.263 6.284 -0.133 211 HB3 SER 32 HB3 SER 32 -12.230 7.359 0.876 212 HG SER 32 HG SER 32 -13.910 7.055 -0.387 213 H THR 33 H THR 33 -9.455 6.808 -1.568 214 HA THR 33 HA THR 33 -10.221 6.768 -4.429 215 HB THR 33 HB THR 33 -8.333 8.384 -4.279 216 HG1 THR 33 HG1 THR 33 -7.749 7.613 -6.154 217 HG21 THR 33 HG21 THR 33 -7.117 7.494 -2.320 218 HG22 THR 33 HG22 THR 33 -6.045 7.621 -3.715 219 HG23 THR 33 HG23 THR 33 -6.683 6.048 -3.237 220 H THR 34 H THR 34 -9.343 4.902 -5.601 221 HA THR 34 HA THR 34 -8.796 2.544 -3.873 222 HB THR 34 HB THR 34 -9.611 1.131 -5.746 223 HG1 THR 34 HG1 THR 34 -10.723 2.280 -7.508 224 HG21 THR 34 HG21 THR 34 -12.008 1.705 -5.657 225 HG22 THR 34 HG22 THR 34 -11.615 3.302 -5.018 226 HG23 THR 34 HG23 THR 34 -11.269 1.858 -4.063 227 H TYR 35 H TYR 35 -6.842 1.645 -4.018 228 HA TYR 35 HA TYR 35 -5.129 2.123 -6.400 229 HB2 TYR 35 HB2 TYR 35 -4.250 3.338 -4.443 230 HB3 TYR 35 HB3 TYR 35 -4.284 1.868 -3.478 231 HD1 TYR 35 HD2 TYR 35 -2.685 3.380 -6.519 232 HD2 TYR 35 HD1 TYR 35 -2.355 0.416 -3.440 233 HE1 TYR 35 HE2 TYR 35 -0.391 2.889 -7.238 234 HE2 TYR 35 HE1 TYR 35 -0.059 -0.073 -4.174 235 HH TYR 35 HH TYR 35 1.336 0.153 -6.135 236 H THR 36 H THR 36 -4.728 0.280 -7.503 237 HA THR 36 HA THR 36 -5.216 -2.344 -6.394 238 HB THR 36 HB THR 36 -4.005 -1.507 -9.070 239 HG1 THR 36 HG1 THR 36 -6.544 -2.703 -8.672 240 HG21 THR 36 HG21 THR 36 -3.235 -3.790 -8.501 241 HG22 THR 36 HG22 THR 36 -4.421 -3.847 -9.805 242 HG23 THR 36 HG23 THR 36 -4.900 -4.279 -8.162 243 H VAL 37 H VAL 37 -3.803 -3.467 -5.227 244 HA VAL 37 HA VAL 37 -1.077 -2.685 -4.782 245 HB VAL 37 HB VAL 37 -2.519 -5.258 -3.953 246 HG11 VAL 37 HG11 VAL 37 0.055 -4.046 -2.871 247 HG12 VAL 37 HG12 VAL 37 -0.084 -5.517 -3.836 248 HG13 VAL 37 HG13 VAL 37 -0.769 -5.464 -2.213 249 HG21 VAL 37 HG21 VAL 37 -3.691 -3.292 -3.053 250 HG22 VAL 37 HG22 VAL 37 -2.182 -2.665 -2.383 251 HG23 VAL 37 HG23 VAL 37 -2.872 -4.164 -1.754 252 H THR 38 H THR 38 0.694 -3.388 -5.895 253 HA THR 38 HA THR 38 0.324 -5.367 -8.071 254 HB THR 38 HB THR 38 2.243 -4.218 -9.200 255 HG1 THR 38 HG1 THR 38 3.099 -2.352 -8.356 256 HG21 THR 38 HG21 THR 38 1.054 -2.157 -9.854 257 HG22 THR 38 HG22 THR 38 -0.019 -2.318 -8.463 258 HG23 THR 38 HG23 THR 38 -0.068 -3.516 -9.757 259 H ILE 39 H ILE 39 1.193 -7.297 -7.613 260 HA ILE 39 HA ILE 39 3.254 -7.575 -5.534 261 HB ILE 39 HB ILE 39 1.830 -9.849 -6.993 262 HG12 ILE 39 HG12 ILE 39 0.080 -8.409 -6.008 263 HG13 ILE 39 HG13 ILE 39 0.184 -9.928 -5.130 264 HG21 ILE 39 HG21 ILE 39 3.828 -10.528 -5.740 265 HG22 ILE 39 HG22 ILE 39 2.380 -11.158 -4.954 266 HG23 ILE 39 HG23 ILE 39 3.212 -9.753 -4.279 267 HD11 ILE 39 HD11 ILE 39 1.402 -8.804 -3.334 268 HD12 ILE 39 HD12 ILE 39 -0.160 -8.047 -3.641 269 HD13 ILE 39 HD13 ILE 39 1.316 -7.283 -4.226 270 HA PRO 40 HA PRO 40 6.217 -7.829 -9.066 271 HB2 PRO 40 HB2 PRO 40 8.534 -7.903 -7.559 272 HB3 PRO 40 HB3 PRO 40 7.664 -6.407 -7.924 273 HG2 PRO 40 HG2 PRO 40 7.544 -8.106 -5.434 274 HG3 PRO 40 HG3 PRO 40 7.664 -6.338 -5.573 275 HD2 PRO 40 HD2 PRO 40 5.305 -7.569 -5.060 276 HD3 PRO 40 HD3 PRO 40 5.384 -6.098 -6.052 277 H ASP 41 H ASP 41 7.360 -9.504 -10.030 278 HA ASP 41 HA ASP 41 6.498 -12.119 -9.567 279 HB2 ASP 41 HB2 ASP 41 8.942 -11.217 -11.156 280 HB3 ASP 41 HB3 ASP 41 8.134 -12.776 -11.323 281 H GLY 42 H GLY 42 7.027 -13.489 -7.943 282 HA2 GLY 42 HA2 GLY 42 8.677 -14.946 -6.908 283 HA3 GLY 42 HA3 GLY 42 9.812 -13.606 -6.889 284 H TYR 43 H TYR 43 7.044 -12.130 -5.999 285 HA TYR 43 HA TYR 43 7.419 -12.626 -3.095 286 HB2 TYR 43 HB2 TYR 43 6.414 -10.153 -4.569 287 HB3 TYR 43 HB3 TYR 43 6.304 -10.350 -2.821 288 HD1 TYR 43 HD2 TYR 43 8.966 -10.595 -5.508 289 HD2 TYR 43 HD1 TYR 43 7.967 -9.295 -1.553 290 HE1 TYR 43 HE2 TYR 43 11.202 -9.618 -5.256 291 HE2 TYR 43 HE1 TYR 43 10.204 -8.317 -1.313 292 HH TYR 43 HH TYR 43 12.442 -8.575 -2.266 293 H GLU 44 H GLU 44 5.511 -12.498 -1.726 294 HA GLU 44 HA GLU 44 2.883 -13.060 -3.007 295 HB2 GLU 44 HB2 GLU 44 3.986 -14.327 -0.455 296 HB3 GLU 44 HB3 GLU 44 2.379 -14.603 -1.117 297 HG2 GLU 44 HG2 GLU 44 3.397 -15.673 -3.112 298 HG3 GLU 44 HG3 GLU 44 4.999 -15.406 -2.424 299 H TYR 45 H TYR 45 1.094 -12.040 -2.024 300 HA TYR 45 HA TYR 45 1.552 -9.707 -0.450 301 HB2 TYR 45 HB2 TYR 45 -0.281 -9.771 -2.063 302 HB3 TYR 45 HB3 TYR 45 -1.035 -11.120 -1.220 303 HD1 TYR 45 HD2 TYR 45 0.003 -7.535 -0.656 304 HD2 TYR 45 HD1 TYR 45 -2.741 -10.658 0.375 305 HE1 TYR 45 HE2 TYR 45 -1.282 -5.962 0.726 306 HE2 TYR 45 HE1 TYR 45 -4.012 -9.082 1.758 307 HH TYR 45 HH TYR 45 -3.666 -6.994 2.934 308 H VAL 46 H VAL 46 1.462 -9.383 1.721 309 HA VAL 46 HA VAL 46 0.713 -11.622 3.514 310 HB VAL 46 HB VAL 46 2.501 -9.230 4.137 311 HG11 VAL 46 HG11 VAL 46 1.415 -10.096 6.164 312 HG12 VAL 46 HG12 VAL 46 3.140 -10.462 6.188 313 HG13 VAL 46 HG13 VAL 46 1.975 -11.729 5.792 314 HG21 VAL 46 HG21 VAL 46 3.579 -10.673 2.487 315 HG22 VAL 46 HG22 VAL 46 3.286 -12.094 3.491 316 HG23 VAL 46 HG23 VAL 46 4.393 -10.836 4.045 317 H GLY 47 H GLY 47 0.685 -8.007 3.577 318 HA2 GLY 47 HA2 GLY 47 -2.033 -7.781 4.427 319 HA3 GLY 47 HA3 GLY 47 -0.954 -7.683 5.813 320 H THR 48 H THR 48 -2.597 -5.552 5.208 321 HA THR 48 HA THR 48 -0.754 -3.488 4.099 322 HB THR 48 HB THR 48 -3.781 -3.695 3.787 323 HG1 THR 48 HG1 THR 48 -3.080 -4.587 2.001 324 HG21 THR 48 HG21 THR 48 -3.713 -1.535 2.568 325 HG22 THR 48 HG22 THR 48 -2.023 -1.328 3.026 326 HG23 THR 48 HG23 THR 48 -3.276 -1.327 4.266 327 H ASP 49 H ASP 49 -0.460 -1.646 5.237 328 HA ASP 49 HA ASP 49 -1.750 -1.294 7.888 329 HB2 ASP 49 HB2 ASP 49 0.967 -0.316 6.896 330 HB3 ASP 49 HB3 ASP 49 0.292 0.046 8.480 331 H GLY 50 H GLY 50 -2.355 0.867 8.516 332 HA2 GLY 50 HA2 GLY 50 -2.665 3.164 8.342 333 HA3 GLY 50 HA3 GLY 50 -1.904 3.148 6.763 334 H GLY 51 H GLY 51 -3.275 2.077 4.998 335 HA2 GLY 51 HA2 GLY 51 -5.923 3.279 4.931 336 HA3 GLY 51 HA3 GLY 51 -5.115 2.419 3.630 337 H VAL 52 H VAL 52 -7.575 1.783 3.626 338 HA VAL 52 HA VAL 52 -8.069 -0.608 5.338 339 HB VAL 52 HB VAL 52 -10.087 1.068 3.760 340 HG11 VAL 52 HG11 VAL 52 -11.840 -0.253 4.920 341 HG12 VAL 52 HG12 VAL 52 -10.595 -1.270 5.651 342 HG13 VAL 52 HG13 VAL 52 -10.826 -1.276 3.901 343 HG21 VAL 52 HG21 VAL 52 -10.902 1.835 5.970 344 HG22 VAL 52 HG22 VAL 52 -9.218 2.289 5.713 345 HG23 VAL 52 HG23 VAL 52 -9.611 0.929 6.767 346 H VAL 53 H VAL 53 -7.662 -2.512 4.336 347 HA VAL 53 HA VAL 53 -7.388 -2.640 1.430 348 HB VAL 53 HB VAL 53 -5.697 -3.723 2.926 349 HG11 VAL 53 HG11 VAL 53 -6.181 -5.864 4.039 350 HG12 VAL 53 HG12 VAL 53 -7.880 -5.735 3.578 351 HG13 VAL 53 HG13 VAL 53 -7.176 -4.563 4.695 352 HG21 VAL 53 HG21 VAL 53 -5.879 -4.451 0.585 353 HG22 VAL 53 HG22 VAL 53 -7.099 -5.649 1.024 354 HG23 VAL 53 HG23 VAL 53 -5.445 -5.812 1.619 355 H SER 54 H SER 54 -8.583 -3.970 0.054 356 HA SER 54 HA SER 54 -11.327 -4.501 0.676 357 HB2 SER 54 HB2 SER 54 -10.686 -3.809 -1.578 358 HB3 SER 54 HB3 SER 54 -9.647 -5.222 -1.758 359 HG SER 54 HG SER 54 -12.268 -4.991 -2.275 360 H SER 55 H SER 55 -12.370 -6.630 0.212 361 HA SER 55 HA SER 55 -11.601 -8.574 2.079 362 HB2 SER 55 HB2 SER 55 -13.460 -9.945 1.077 363 HB3 SER 55 HB3 SER 55 -13.934 -8.279 1.411 364 HG SER 55 HG SER 55 -13.229 -9.402 -1.104 365 H ASP 56 H ASP 56 -11.019 -8.456 -1.404 366 HA ASP 56 HA ASP 56 -10.016 -11.197 -1.554 367 HB2 ASP 56 HB2 ASP 56 -10.052 -9.011 -3.676 368 HB3 ASP 56 HB3 ASP 56 -9.726 -10.719 -3.956 369 H GLY 57 H GLY 57 -8.665 -8.170 -0.736 370 HA2 GLY 57 HA2 GLY 57 -6.533 -7.557 -0.145 371 HA3 GLY 57 HA3 GLY 57 -5.989 -9.181 -0.517 372 H LYS 58 H LYS 58 -7.573 -7.816 -3.186 373 HA LYS 58 HA LYS 58 -5.110 -7.623 -4.716 374 HB2 LYS 58 HB2 LYS 58 -7.974 -7.047 -5.589 375 HB3 LYS 58 HB3 LYS 58 -6.594 -7.297 -6.654 376 HG2 LYS 58 HG2 LYS 58 -6.454 -9.639 -6.038 377 HG3 LYS 58 HG3 LYS 58 -7.666 -9.425 -4.771 378 HD2 LYS 58 HD2 LYS 58 -8.703 -10.495 -6.698 379 HD3 LYS 58 HD3 LYS 58 -9.367 -8.872 -6.508 380 HE2 LYS 58 HE2 LYS 58 -8.961 -9.292 -8.862 381 HE3 LYS 58 HE3 LYS 58 -7.804 -8.084 -8.306 382 HZ1 LYS 58 HZ1 LYS 58 -6.711 -9.701 -9.678 383 HZ2 LYS 58 HZ2 LYS 58 -7.271 -10.978 -8.718 384 HZ3 LYS 58 HZ3 LYS 58 -6.156 -9.873 -8.091 385 H THR 59 H THR 59 -7.553 -5.409 -3.443 386 HA THR 59 HA THR 59 -5.972 -3.044 -4.331 387 HB THR 59 HB THR 59 -8.087 -1.749 -4.562 388 HG1 THR 59 HG1 THR 59 -9.632 -2.645 -3.369 389 HG21 THR 59 HG21 THR 59 -8.155 -4.308 -6.218 390 HG22 THR 59 HG22 THR 59 -7.223 -2.856 -6.597 391 HG23 THR 59 HG23 THR 59 -8.984 -2.800 -6.606 392 H VAL 60 H VAL 60 -6.246 -1.142 -2.992 393 HA VAL 60 HA VAL 60 -7.253 -1.528 -0.247 394 HB VAL 60 HB VAL 60 -4.828 -1.688 -0.058 395 HG11 VAL 60 HG11 VAL 60 -3.255 0.053 -0.813 396 HG12 VAL 60 HG12 VAL 60 -4.585 0.941 -1.562 397 HG13 VAL 60 HG13 VAL 60 -4.133 -0.651 -2.174 398 HG21 VAL 60 HG21 VAL 60 -4.321 0.195 1.466 399 HG22 VAL 60 HG22 VAL 60 -5.953 -0.416 1.736 400 HG23 VAL 60 HG23 VAL 60 -5.713 1.088 0.844 401 H THR 61 H THR 61 -8.845 -0.088 0.154 402 HA THR 61 HA THR 61 -9.241 2.355 -1.336 403 HB THR 61 HB THR 61 -10.620 1.349 1.201 404 HG1 THR 61 HG1 THR 61 -12.312 1.280 -0.762 405 HG21 THR 61 HG21 THR 61 -10.857 3.801 1.022 406 HG22 THR 61 HG22 THR 61 -12.395 3.014 0.672 407 HG23 THR 61 HG23 THR 61 -11.408 3.644 -0.648 408 H ILE 62 H ILE 62 -7.871 3.984 -1.005 409 HA ILE 62 HA ILE 62 -6.734 4.555 1.663 410 HB ILE 62 HB ILE 62 -5.826 5.694 -1.024 411 HG12 ILE 62 HG12 ILE 62 -4.715 3.232 0.414 412 HG13 ILE 62 HG13 ILE 62 -5.646 3.203 -1.078 413 HG21 ILE 62 HG21 ILE 62 -5.106 6.973 0.961 414 HG22 ILE 62 HG22 ILE 62 -3.724 6.198 0.189 415 HG23 ILE 62 HG23 ILE 62 -4.404 5.514 1.667 416 HD11 ILE 62 HD11 ILE 62 -2.919 4.419 -0.704 417 HD12 ILE 62 HD12 ILE 62 -3.855 4.438 -2.203 418 HD13 ILE 62 HD13 ILE 62 -3.307 2.905 -1.523 419 H THR 63 H THR 63 -7.956 6.040 2.724 420 HA THR 63 HA THR 63 -9.278 8.248 1.271 421 HB THR 63 HB THR 63 -9.418 7.711 4.281 422 HG1 THR 63 HG1 THR 63 -10.395 5.935 3.538 423 HG21 THR 63 HG21 THR 63 -10.171 9.973 3.593 424 HG22 THR 63 HG22 THR 63 -11.547 8.997 4.114 425 HG23 THR 63 HG23 THR 63 -11.252 9.259 2.390 426 H PHE 64 H PHE 64 -8.774 10.470 1.762 427 HA PHE 64 HA PHE 64 -5.963 10.858 2.510 428 HB2 PHE 64 HB2 PHE 64 -7.997 12.796 1.331 429 HB3 PHE 64 HB3 PHE 64 -6.294 13.159 1.602 430 HD1 PHE 64 HD2 PHE 64 -4.526 11.901 0.323 431 HD2 PHE 64 HD1 PHE 64 -8.685 11.522 -0.622 432 HE1 PHE 64 HE2 PHE 64 -3.948 10.918 -1.850 433 HE2 PHE 64 HE1 PHE 64 -8.096 10.525 -2.790 434 HZ PHE 64 HZ PHE 64 -5.728 10.224 -3.408 435 H ALA 65 H ALA 65 -5.233 12.010 4.242 436 HA ALA 65 HA ALA 65 -7.081 13.488 6.003 437 HB1 ALA 65 HB1 ALA 65 -5.157 11.354 7.028 438 HB2 ALA 65 HB2 ALA 65 -6.913 11.210 6.974 439 HB3 ALA 65 HB3 ALA 65 -6.164 12.410 8.026 440 H ALA 66 H ALA 66 -6.024 15.065 7.326 441 HA ALA 66 HA ALA 66 -3.784 16.390 6.171 442 HB1 ALA 66 HB1 ALA 66 -4.011 17.960 8.057 443 HB2 ALA 66 HB2 ALA 66 -5.089 16.831 8.880 444 HB3 ALA 66 HB3 ALA 66 -5.590 17.580 7.364 445 H ASP 67 H ASP 67 -3.994 13.863 8.494 446 HA ASP 67 HA ASP 67 -1.134 14.100 9.251 447 HB2 ASP 67 HB2 ASP 67 -1.758 12.826 11.313 448 HB3 ASP 67 HB3 ASP 67 -2.608 14.362 11.185 449 H ASP 68 H ASP 68 -0.659 11.579 10.215 450 HA ASP 68 HA ASP 68 -0.282 10.166 7.674 451 HB2 ASP 68 HB2 ASP 68 1.029 9.743 10.395 452 HB3 ASP 68 HB3 ASP 68 1.501 8.943 8.896 453 H SER 69 H SER 69 -2.813 9.899 9.586 454 HA SER 69 HA SER 69 -2.883 7.271 10.627 455 HB2 SER 69 HB2 SER 69 -4.494 8.997 11.332 456 HB3 SER 69 HB3 SER 69 -5.234 8.989 9.732 457 HG SER 69 HG SER 69 -5.833 6.807 10.102 458 H ASP 70 H ASP 70 -3.228 8.298 7.344 459 HA ASP 70 HA ASP 70 -4.469 5.723 6.511 460 HB2 ASP 70 HB2 ASP 70 -4.759 8.486 5.260 461 HB3 ASP 70 HB3 ASP 70 -5.414 7.001 4.575 462 H ASN 71 H ASN 71 -1.543 7.050 6.646 463 HA ASN 71 HA ASN 71 -0.510 6.749 3.986 464 HB2 ASN 71 HB2 ASN 71 0.840 6.828 6.715 465 HB3 ASN 71 HB3 ASN 71 1.745 6.659 5.214 466 HD21 ASN 71 HD21 ASN 71 -1.135 8.729 5.434 467 HD22 ASN 71 HD22 ASN 71 -0.268 10.211 5.318 468 H VAL 72 H VAL 72 -0.133 4.878 2.925 469 HA VAL 72 HA VAL 72 -0.896 2.401 4.263 470 HB VAL 72 HB VAL 72 -0.604 3.096 1.305 471 HG11 VAL 72 HG11 VAL 72 -0.191 0.690 1.603 472 HG12 VAL 72 HG12 VAL 72 -1.755 0.946 0.831 473 HG13 VAL 72 HG13 VAL 72 -1.675 0.529 2.544 474 HG21 VAL 72 HG21 VAL 72 -3.080 3.011 1.297 475 HG22 VAL 72 HG22 VAL 72 -2.476 4.245 2.400 476 HG23 VAL 72 HG23 VAL 72 -3.078 2.713 3.037 477 H VAL 73 H VAL 73 0.553 0.879 4.841 478 HA VAL 73 HA VAL 73 3.166 0.688 3.429 479 HB VAL 73 HB VAL 73 2.567 -0.060 6.336 480 HG11 VAL 73 HG11 VAL 73 5.206 -0.168 4.830 481 HG12 VAL 73 HG12 VAL 73 4.257 -1.553 5.373 482 HG13 VAL 73 HG13 VAL 73 4.998 -0.476 6.557 483 HG21 VAL 73 HG21 VAL 73 2.649 2.385 6.041 484 HG22 VAL 73 HG22 VAL 73 4.226 2.257 5.261 485 HG23 VAL 73 HG23 VAL 73 4.047 1.825 6.963 486 H ILE 74 H ILE 74 2.866 -0.928 1.978 487 HA ILE 74 HA ILE 74 1.135 -3.229 2.536 488 HB ILE 74 HB ILE 74 2.635 -2.475 -0.019 489 HG12 ILE 74 HG12 ILE 74 -0.328 -2.096 0.673 490 HG13 ILE 74 HG13 ILE 74 0.870 -0.810 0.644 491 HG21 ILE 74 HG21 ILE 74 2.175 -4.898 0.078 492 HG22 ILE 74 HG22 ILE 74 1.169 -4.132 -1.149 493 HG23 ILE 74 HG23 ILE 74 0.468 -4.580 0.407 494 HD11 ILE 74 HD11 ILE 74 -0.504 -0.765 -1.335 495 HD12 ILE 74 HD12 ILE 74 -0.056 -2.424 -1.724 496 HD13 ILE 74 HD13 ILE 74 1.164 -1.147 -1.764 497 H HIS 75 H HIS 75 1.906 -5.184 3.103 498 HA HIS 75 HA HIS 75 4.807 -5.632 3.376 499 HB2 HIS 75 HB2 HIS 75 2.412 -7.001 4.684 500 HB3 HIS 75 HB3 HIS 75 4.085 -7.494 4.934 501 HD1 HIS 75 HD1 HIS 75 4.933 -6.677 7.088 502 HD2 HIS 75 HD2 HIS 75 2.248 -3.981 5.419 503 HE1 HIS 75 HE1 HIS 75 4.770 -4.783 8.720 504 HE2 HIS 75 HE2 HIS 75 3.242 -3.128 7.630 505 H LEU 76 H LEU 76 5.784 -7.009 1.997 506 HA LEU 76 HA LEU 76 4.246 -9.220 0.729 507 HB2 LEU 76 HB2 LEU 76 6.514 -7.616 -0.545 508 HB3 LEU 76 HB3 LEU 76 5.604 -8.914 -1.306 509 HG LEU 76 HG LEU 76 4.423 -6.236 -0.473 510 HD11 LEU 76 HD11 LEU 76 5.215 -7.181 -3.237 511 HD12 LEU 76 HD12 LEU 76 6.004 -5.915 -2.294 512 HD13 LEU 76 HD13 LEU 76 4.352 -5.685 -2.864 513 HD21 LEU 76 HD21 LEU 76 2.742 -8.030 -0.449 514 HD22 LEU 76 HD22 LEU 76 3.180 -8.482 -2.101 515 HD23 LEU 76 HD23 LEU 76 2.451 -6.907 -1.779 516 H LYS 77 H LYS 77 5.209 -11.214 0.960 517 HA LYS 77 HA LYS 77 7.930 -11.368 2.136 518 HB2 LYS 77 HB2 LYS 77 7.378 -13.647 2.829 519 HB3 LYS 77 HB3 LYS 77 6.136 -12.536 3.397 520 HG2 LYS 77 HG2 LYS 77 4.599 -13.272 1.644 521 HG3 LYS 77 HG3 LYS 77 5.854 -14.283 0.923 522 HD2 LYS 77 HD2 LYS 77 4.278 -15.651 2.230 523 HD3 LYS 77 HD3 LYS 77 5.892 -15.706 2.941 524 HE2 LYS 77 HE2 LYS 77 5.149 -13.960 4.593 525 HE3 LYS 77 HE3 LYS 77 3.522 -14.082 3.919 526 HZ1 LYS 77 HZ1 LYS 77 3.780 -15.425 5.904 527 HZ2 LYS 77 HZ2 LYS 77 5.040 -16.294 5.188 528 HZ3 LYS 77 HZ3 LYS 77 3.475 -16.407 4.564 529 H HIS 78 H HIS 78 9.195 -13.375 1.375 530 HA HIS 78 HA HIS 78 9.175 -13.532 -1.560 531 HB2 HIS 78 HB2 HIS 78 11.024 -14.819 0.494 532 HB3 HIS 78 HB3 HIS 78 11.251 -14.867 -1.258 533 HD1 HIS 78 HD1 HIS 78 13.380 -13.626 0.604 534 HD2 HIS 78 HD2 HIS 78 10.410 -11.437 -1.290 535 HE1 HIS 78 HE1 HIS 78 14.257 -11.295 0.459 536 HE2 HIS 78 HE2 HIS 78 12.297 -9.961 -0.360 537 H GLY 79 H GLY 79 8.540 -15.331 -2.729 538 HA2 GLY 79 HA2 GLY 79 6.913 -17.394 -1.757 539 HA3 GLY 79 HA3 GLY 79 7.827 -17.451 -3.265 540 H LEU 80 H LEU 80 7.402 -19.148 -0.489 541 HA LEU 80 HA LEU 80 10.015 -19.221 0.664 542 HB2 LEU 80 HB2 LEU 80 7.612 -20.999 1.206 543 HB3 LEU 80 HB3 LEU 80 9.098 -21.045 2.133 544 HG LEU 80 HG LEU 80 7.546 -19.803 3.448 545 HD11 LEU 80 HD11 LEU 80 9.315 -17.738 2.120 546 HD12 LEU 80 HD12 LEU 80 9.787 -18.823 3.429 547 HD13 LEU 80 HD13 LEU 80 8.547 -17.604 3.705 548 HD21 LEU 80 HD21 LEU 80 6.888 -18.059 1.050 549 HD22 LEU 80 HD22 LEU 80 6.249 -17.861 2.685 550 HD23 LEU 80 HD23 LEU 80 5.849 -19.302 1.753 551 H GLU 81 H GLU 81 11.278 -19.771 -1.109 552 HA GLU 81 HA GLU 81 12.496 -21.066 -2.529 553 HB2 GLU 81 HB2 GLU 81 13.617 -20.873 -0.352 554 HB3 GLU 81 HB3 GLU 81 12.912 -22.403 0.158 555 HG2 GLU 81 HG2 GLU 81 14.221 -23.616 -1.501 556 HG3 GLU 81 HG3 GLU 81 14.817 -22.109 -2.195 557 H HIS 82 H HIS 82 11.435 -23.812 -0.435 558 HA HIS 82 HA HIS 82 11.224 -25.510 -2.835 559 HB2 HIS 82 HB2 HIS 82 11.025 -26.374 0.082 560 HB3 HIS 82 HB3 HIS 82 11.265 -27.413 -1.319 561 HD1 HIS 82 HD1 HIS 82 13.669 -26.776 -2.652 562 HD2 HIS 82 HD2 HIS 82 13.341 -25.807 1.362 563 HE1 HIS 82 HE1 HIS 82 16.013 -26.471 -1.846 564 HE2 HIS 82 HE2 HIS 82 15.760 -25.626 0.495 565 H HIS 83 H HIS 83 9.332 -26.570 -3.449 566 HA HIS 83 HA HIS 83 6.774 -25.606 -2.497 567 HB2 HIS 83 HB2 HIS 83 7.483 -27.790 -4.506 568 HB3 HIS 83 HB3 HIS 83 5.843 -27.233 -4.180 569 HD1 HIS 83 HD1 HIS 83 8.793 -26.481 -6.216 570 HD2 HIS 83 HD2 HIS 83 5.403 -24.443 -4.948 571 HE1 HIS 83 HE1 HIS 83 8.642 -24.449 -7.675 572 HE2 HIS 83 HE2 HIS 83 6.521 -23.301 -6.974 573 H HIS 84 H HIS 84 5.021 -27.086 -1.769 574 HA HIS 84 HA HIS 84 4.132 -28.279 -0.067 575 HB2 HIS 84 HB2 HIS 84 6.426 -30.232 -0.545 576 HB3 HIS 84 HB3 HIS 84 4.957 -30.582 0.361 577 HD1 HIS 84 HD1 HIS 84 2.694 -30.594 -1.106 578 HD2 HIS 84 HD2 HIS 84 6.235 -30.680 -3.258 579 HE1 HIS 84 HE1 HIS 84 2.055 -31.320 -3.415 580 HE2 HIS 84 HE2 HIS 84 4.237 -31.557 -4.631 581 H HIS 85 H HIS 85 5.854 -26.146 0.592 582 HA HIS 85 HA HIS 85 7.650 -26.818 2.739 583 HB2 HIS 85 HB2 HIS 85 7.826 -24.307 3.049 584 HB3 HIS 85 HB3 HIS 85 8.217 -24.886 1.438 585 HD1 HIS 85 HD1 HIS 85 7.323 -23.414 -0.324 586 HD2 HIS 85 HD2 HIS 85 4.870 -23.367 3.027 587 HE1 HIS 85 HE1 HIS 85 5.491 -21.794 -0.851 588 HE2 HIS 85 HE2 HIS 85 4.075 -21.709 1.220 589 H HIS 86 H HIS 86 4.264 -26.467 2.685 590 HA HIS 86 HA HIS 86 4.145 -26.495 5.629 591 HB2 HIS 86 HB2 HIS 86 3.796 -24.110 4.795 592 HB3 HIS 86 HB3 HIS 86 2.355 -24.666 3.955 593 HD1 HIS 86 HD1 HIS 86 3.550 -23.482 7.216 594 HD2 HIS 86 HD2 HIS 86 0.219 -25.505 5.788 595 HE1 HIS 86 HE1 HIS 86 1.821 -23.286 9.014 596 HE2 HIS 86 HE2 HIS 86 -0.115 -24.658 8.195 597 H HIS 87 H HIS 87 2.638 -27.920 6.391 598 HA HIS 87 HA HIS 87 1.300 -29.784 4.696 599 HB2 HIS 87 HB2 HIS 87 2.139 -30.354 6.965 600 HB3 HIS 87 HB3 HIS 87 0.979 -29.250 7.688 601 HD1 HIS 87 HD1 HIS 87 1.359 -32.707 6.447 602 HD2 HIS 87 HD2 HIS 87 -1.755 -30.221 7.623 603 HE1 HIS 87 HE1 HIS 87 -0.592 -34.216 6.862 604 HE2 HIS 87 HE2 HIS 87 -2.485 -32.686 7.466 Start of MODEL 4 1 H1 MET 1 H1 MET 1 -6.193 23.248 2.553 2 H2 MET 1 H2 MET 1 -4.975 22.309 1.864 3 H3 MET 1 H3 MET 1 -6.335 21.560 2.525 4 HA MET 1 HA MET 1 -7.731 22.670 0.861 5 HB2 MET 1 HB2 MET 1 -5.061 23.392 -0.434 6 HB3 MET 1 HB3 MET 1 -6.659 23.696 -1.110 7 HG2 MET 1 HG2 MET 1 -5.469 24.984 1.354 8 HG3 MET 1 HG3 MET 1 -5.755 25.749 -0.212 9 HE1 MET 1 HE1 MET 1 -7.058 27.768 0.995 10 HE2 MET 1 HE2 MET 1 -6.777 27.027 2.573 11 HE3 MET 1 HE3 MET 1 -8.404 27.523 2.106 12 H ASP 2 H ASP 2 -4.600 21.448 -0.356 13 HA ASP 2 HA ASP 2 -5.941 18.988 -1.326 14 HB2 ASP 2 HB2 ASP 2 -4.095 18.848 -2.994 15 HB3 ASP 2 HB3 ASP 2 -5.068 20.305 -3.157 16 H GLU 3 H GLU 3 -5.690 17.387 0.100 17 HA GLU 3 HA GLU 3 -3.188 17.092 1.657 18 HB2 GLU 3 HB2 GLU 3 -5.980 15.910 2.041 19 HB3 GLU 3 HB3 GLU 3 -4.586 15.370 2.967 20 HG2 GLU 3 HG2 GLU 3 -5.849 16.917 4.315 21 HG3 GLU 3 HG3 GLU 3 -4.316 17.669 3.884 22 H ASP 4 H ASP 4 -1.911 15.269 1.491 23 HA ASP 4 HA ASP 4 -2.529 13.381 -0.714 24 HB2 ASP 4 HB2 ASP 4 -0.104 13.198 -1.096 25 HB3 ASP 4 HB3 ASP 4 -0.659 14.859 -1.258 26 H ALA 5 H ALA 5 -2.028 11.230 -0.526 27 HA ALA 5 HA ALA 5 -1.505 10.114 2.163 28 HB1 ALA 5 HB1 ALA 5 -2.808 8.141 1.446 29 HB2 ALA 5 HB2 ALA 5 -3.089 8.889 -0.131 30 HB3 ALA 5 HB3 ALA 5 -3.773 9.615 1.324 31 H THR 6 H THR 6 0.121 8.598 2.371 32 HA THR 6 HA THR 6 1.903 8.185 0.020 33 HB THR 6 HB THR 6 3.774 7.998 1.717 34 HG1 THR 6 HG1 THR 6 1.905 9.118 3.571 35 HG21 THR 6 HG21 THR 6 2.259 10.640 1.787 36 HG22 THR 6 HG22 THR 6 3.400 10.146 0.533 37 HG23 THR 6 HG23 THR 6 3.966 10.420 2.183 38 H ILE 7 H ILE 7 2.263 6.139 -0.602 39 HA ILE 7 HA ILE 7 1.469 3.869 1.146 40 HB ILE 7 HB ILE 7 1.597 3.944 -1.920 41 HG12 ILE 7 HG12 ILE 7 -0.939 3.398 -1.666 42 HG13 ILE 7 HG13 ILE 7 -0.778 3.952 -0.007 43 HG21 ILE 7 HG21 ILE 7 0.634 1.644 -1.839 44 HG22 ILE 7 HG22 ILE 7 0.808 1.643 -0.082 45 HG23 ILE 7 HG23 ILE 7 2.240 1.721 -1.112 46 HD11 ILE 7 HD11 ILE 7 -1.713 5.664 -1.428 47 HD12 ILE 7 HD12 ILE 7 -0.314 5.587 -2.500 48 HD13 ILE 7 HD13 ILE 7 -0.129 6.172 -0.844 49 H THR 8 H THR 8 3.120 2.601 1.861 50 HA THR 8 HA THR 8 5.682 2.507 0.340 51 HB THR 8 HB THR 8 5.363 2.351 3.380 52 HG1 THR 8 HG1 THR 8 6.671 4.412 1.917 53 HG21 THR 8 HG21 THR 8 7.302 1.022 2.586 54 HG22 THR 8 HG22 THR 8 7.838 2.463 3.449 55 HG23 THR 8 HG23 THR 8 7.902 2.421 1.687 56 H TYR 9 H TYR 9 5.825 0.541 -0.612 57 HA TYR 9 HA TYR 9 4.764 -1.906 0.502 58 HB2 TYR 9 HB2 TYR 9 6.667 -1.364 -1.821 59 HB3 TYR 9 HB3 TYR 9 6.161 -2.986 -1.359 60 HD1 TYR 9 HD2 TYR 9 4.795 0.326 -2.523 61 HD2 TYR 9 HD1 TYR 9 4.118 -3.883 -2.188 62 HE1 TYR 9 HE2 TYR 9 2.786 0.534 -3.923 63 HE2 TYR 9 HE1 TYR 9 2.117 -3.682 -3.592 64 HH TYR 9 HH TYR 9 1.350 -0.768 -5.291 65 H VAL 10 H VAL 10 5.826 -3.442 1.740 66 HA VAL 10 HA VAL 10 8.674 -3.009 2.464 67 HB VAL 10 HB VAL 10 8.160 -3.541 4.841 68 HG11 VAL 10 HG11 VAL 10 8.353 -1.185 4.186 69 HG12 VAL 10 HG12 VAL 10 7.170 -1.373 5.482 70 HG13 VAL 10 HG13 VAL 10 6.626 -1.123 3.820 71 HG21 VAL 10 HG21 VAL 10 5.825 -3.491 5.685 72 HG22 VAL 10 HG22 VAL 10 6.084 -4.828 4.565 73 HG23 VAL 10 HG23 VAL 10 5.230 -3.381 4.023 74 H ASP 11 H ASP 11 9.844 -4.905 3.092 75 HA ASP 11 HA ASP 11 8.635 -7.463 2.230 76 HB2 ASP 11 HB2 ASP 11 10.696 -6.666 1.008 77 HB3 ASP 11 HB3 ASP 11 11.598 -6.797 2.517 78 H ASP 12 H ASP 12 7.934 -8.655 3.850 79 HA ASP 12 HA ASP 12 8.467 -8.316 6.588 80 HB2 ASP 12 HB2 ASP 12 7.190 -10.629 5.072 81 HB3 ASP 12 HB3 ASP 12 7.150 -10.464 6.827 82 H ASP 13 H ASP 13 10.156 -10.315 4.229 83 HA ASP 13 HA ASP 13 11.487 -11.969 6.253 84 HB2 ASP 13 HB2 ASP 13 11.832 -11.837 3.234 85 HB3 ASP 13 HB3 ASP 13 12.678 -12.969 4.287 86 H LYS 14 H LYS 14 11.964 -8.849 5.169 87 HA LYS 14 HA LYS 14 14.861 -8.897 5.812 88 HB2 LYS 14 HB2 LYS 14 14.171 -8.453 3.339 89 HB3 LYS 14 HB3 LYS 14 13.548 -6.911 3.904 90 HG2 LYS 14 HG2 LYS 14 15.780 -6.649 2.924 91 HG3 LYS 14 HG3 LYS 14 15.811 -6.255 4.645 92 HD2 LYS 14 HD2 LYS 14 17.795 -7.577 3.972 93 HD3 LYS 14 HD3 LYS 14 16.815 -8.438 5.161 94 HE2 LYS 14 HE2 LYS 14 15.840 -9.817 3.343 95 HE3 LYS 14 HE3 LYS 14 16.816 -8.938 2.161 96 HZ1 LYS 14 HZ1 LYS 14 18.804 -9.785 3.172 97 HZ2 LYS 14 HZ2 LYS 14 17.781 -11.079 2.807 98 HZ3 LYS 14 HZ3 LYS 14 17.920 -10.538 4.401 99 H GLY 15 H GLY 15 12.395 -8.466 7.488 100 HA2 GLY 15 HA2 GLY 15 11.813 -7.212 9.324 101 HA3 GLY 15 HA3 GLY 15 13.333 -6.353 9.144 102 H GLY 16 H GLY 16 10.726 -6.474 6.755 103 HA2 GLY 16 HA2 GLY 16 9.228 -4.923 5.976 104 HA3 GLY 16 HA3 GLY 16 9.502 -3.975 7.427 105 H ALA 17 H ALA 17 11.903 -4.913 4.921 106 HA ALA 17 HA ALA 17 12.744 -2.147 4.567 107 HB1 ALA 17 HB1 ALA 17 13.687 -4.665 3.152 108 HB2 ALA 17 HB2 ALA 17 14.402 -3.970 4.608 109 HB3 ALA 17 HB3 ALA 17 14.471 -3.083 3.084 110 H GLN 18 H GLN 18 12.641 -0.927 2.602 111 HA GLN 18 HA GLN 18 10.113 -0.980 1.364 112 HB2 GLN 18 HB2 GLN 18 11.405 1.100 1.657 113 HB3 GLN 18 HB3 GLN 18 12.608 0.540 0.500 114 HG2 GLN 18 HG2 GLN 18 10.861 0.555 -1.285 115 HG3 GLN 18 HG3 GLN 18 9.700 1.188 -0.120 116 HE21 GLN 18 HE21 GLN 18 10.666 2.372 -2.622 117 HE22 GLN 18 HE22 GLN 18 11.320 3.912 -2.194 118 H VAL 19 H VAL 19 9.335 -2.145 -0.278 119 HA VAL 19 HA VAL 19 11.073 -3.488 -2.239 120 HB VAL 19 HB VAL 19 8.039 -3.714 -1.910 121 HG11 VAL 19 HG11 VAL 19 8.231 -5.751 -3.314 122 HG12 VAL 19 HG12 VAL 19 9.955 -5.440 -3.527 123 HG13 VAL 19 HG13 VAL 19 8.770 -4.309 -4.182 124 HG21 VAL 19 HG21 VAL 19 8.452 -5.896 -0.817 125 HG22 VAL 19 HG22 VAL 19 9.166 -4.568 0.102 126 HG23 VAL 19 HG23 VAL 19 10.193 -5.604 -0.892 127 H GLY 20 H GLY 20 11.664 -2.138 -3.844 128 HA2 GLY 20 HA2 GLY 20 11.554 -0.855 -5.726 129 HA3 GLY 20 HA3 GLY 20 9.827 -1.142 -5.759 130 H ASP 21 H ASP 21 8.415 0.411 -4.756 131 HA ASP 21 HA ASP 21 9.637 3.131 -4.689 132 HB2 ASP 21 HB2 ASP 21 7.021 2.361 -6.064 133 HB3 ASP 21 HB3 ASP 21 7.824 3.927 -6.127 134 H ILE 22 H ILE 22 8.503 4.795 -3.597 135 HA ILE 22 HA ILE 22 6.169 4.069 -1.912 136 HB ILE 22 HB ILE 22 7.945 6.561 -1.746 137 HG12 ILE 22 HG12 ILE 22 7.765 4.181 0.162 138 HG13 ILE 22 HG13 ILE 22 9.090 4.488 -0.954 139 HG21 ILE 22 HG21 ILE 22 5.629 7.075 -1.057 140 HG22 ILE 22 HG22 ILE 22 6.706 7.107 0.338 141 HG23 ILE 22 HG23 ILE 22 5.647 5.720 0.075 142 HD11 ILE 22 HD11 ILE 22 9.710 5.119 1.287 143 HD12 ILE 22 HD12 ILE 22 8.318 6.193 1.415 144 HD13 ILE 22 HD13 ILE 22 9.616 6.560 0.274 145 H VAL 23 H VAL 23 4.200 4.748 -2.604 146 HA VAL 23 HA VAL 23 3.999 6.471 -4.992 147 HB VAL 23 HB VAL 23 1.927 4.602 -3.740 148 HG11 VAL 23 HG11 VAL 23 1.839 6.054 -6.419 149 HG12 VAL 23 HG12 VAL 23 0.832 6.405 -5.011 150 HG13 VAL 23 HG13 VAL 23 0.661 4.866 -5.855 151 HG21 VAL 23 HG21 VAL 23 3.852 3.349 -4.623 152 HG22 VAL 23 HG22 VAL 23 3.685 4.157 -6.183 153 HG23 VAL 23 HG23 VAL 23 2.417 3.070 -5.613 154 H THR 24 H THR 24 3.754 8.600 -4.415 155 HA THR 24 HA THR 24 1.998 9.363 -2.162 156 HB THR 24 HB THR 24 3.696 11.225 -3.876 157 HG1 THR 24 HG1 THR 24 5.326 10.360 -2.834 158 HG21 THR 24 HG21 THR 24 3.494 12.778 -1.949 159 HG22 THR 24 HG22 THR 24 2.445 11.620 -1.128 160 HG23 THR 24 HG23 THR 24 1.912 12.382 -2.629 161 H VAL 25 H VAL 25 -0.102 9.371 -2.815 162 HA VAL 25 HA VAL 25 -0.847 10.664 -5.377 163 HB VAL 25 HB VAL 25 -3.123 9.583 -5.025 164 HG11 VAL 25 HG11 VAL 25 -2.420 7.294 -5.670 165 HG12 VAL 25 HG12 VAL 25 -0.772 7.649 -5.143 166 HG13 VAL 25 HG13 VAL 25 -1.469 8.523 -6.508 167 HG21 VAL 25 HG21 VAL 25 -3.354 7.743 -3.376 168 HG22 VAL 25 HG22 VAL 25 -3.042 9.281 -2.568 169 HG23 VAL 25 HG23 VAL 25 -1.742 8.098 -2.742 170 H THR 26 H THR 26 -2.332 12.445 -5.390 171 HA THR 26 HA THR 26 -2.756 13.732 -2.729 172 HB THR 26 HB THR 26 -2.082 15.250 -5.297 173 HG1 THR 26 HG1 THR 26 -0.286 15.005 -3.130 174 HG21 THR 26 HG21 THR 26 -1.643 17.151 -3.761 175 HG22 THR 26 HG22 THR 26 -2.120 16.160 -2.382 176 HG23 THR 26 HG23 THR 26 -3.316 16.600 -3.603 177 H GLY 27 H GLY 27 -4.719 14.545 -2.297 178 HA2 GLY 27 HA2 GLY 27 -6.647 15.303 -4.360 179 HA3 GLY 27 HA3 GLY 27 -7.109 13.946 -3.331 180 H LYS 28 H LYS 28 -8.224 14.469 -1.513 181 HA LYS 28 HA LYS 28 -7.417 16.712 0.155 182 HB2 LYS 28 HB2 LYS 28 -9.084 17.757 -1.439 183 HB3 LYS 28 HB3 LYS 28 -10.308 16.633 -0.855 184 HG2 LYS 28 HG2 LYS 28 -10.160 17.590 1.394 185 HG3 LYS 28 HG3 LYS 28 -8.838 18.641 0.881 186 HD2 LYS 28 HD2 LYS 28 -10.468 19.718 -0.755 187 HD3 LYS 28 HD3 LYS 28 -11.756 18.792 0.030 188 HE2 LYS 28 HE2 LYS 28 -11.206 19.877 2.191 189 HE3 LYS 28 HE3 LYS 28 -9.922 20.800 1.401 190 HZ1 LYS 28 HZ1 LYS 28 -11.669 21.766 -0.045 191 HZ2 LYS 28 HZ2 LYS 28 -11.830 22.168 1.585 192 HZ3 LYS 28 HZ3 LYS 28 -12.837 20.997 0.903 193 H THR 29 H THR 29 -8.215 16.531 2.342 194 HA THR 29 HA THR 29 -8.488 13.938 3.347 195 HB THR 29 HB THR 29 -7.640 15.789 4.724 196 HG1 THR 29 HG1 THR 29 -9.408 13.925 5.556 197 HG21 THR 29 HG21 THR 29 -9.174 17.397 5.792 198 HG22 THR 29 HG22 THR 29 -10.516 16.754 4.845 199 HG23 THR 29 HG23 THR 29 -9.179 17.577 4.036 200 H ASP 30 H ASP 30 -11.004 16.107 2.272 201 HA ASP 30 HA ASP 30 -13.274 14.689 3.299 202 HB2 ASP 30 HB2 ASP 30 -12.994 16.604 0.931 203 HB3 ASP 30 HB3 ASP 30 -14.532 16.048 1.594 204 H ASP 31 H ASP 31 -11.328 14.504 0.369 205 HA ASP 31 HA ASP 31 -13.113 12.683 -1.036 206 HB2 ASP 31 HB2 ASP 31 -11.910 14.530 -2.218 207 HB3 ASP 31 HB3 ASP 31 -10.370 13.773 -1.821 208 H SER 32 H SER 32 -12.388 10.639 -1.907 209 HA SER 32 HA SER 32 -10.190 9.237 -0.483 210 HB2 SER 32 HB2 SER 32 -11.666 7.212 -0.328 211 HB3 SER 32 HB3 SER 32 -12.295 8.578 0.604 212 HG SER 32 HG SER 32 -13.500 8.984 -1.530 213 H THR 33 H THR 33 -9.415 7.328 -1.620 214 HA THR 33 HA THR 33 -10.060 7.080 -4.496 215 HB THR 33 HB THR 33 -8.035 8.541 -4.372 216 HG1 THR 33 HG1 THR 33 -7.953 7.453 -6.219 217 HG21 THR 33 HG21 THR 33 -6.995 7.658 -2.287 218 HG22 THR 33 HG22 THR 33 -5.855 7.636 -3.634 219 HG23 THR 33 HG23 THR 33 -6.634 6.140 -3.116 220 H THR 34 H THR 34 -9.316 5.046 -5.452 221 HA THR 34 HA THR 34 -8.849 2.833 -3.515 222 HB THR 34 HB THR 34 -10.008 1.322 -5.142 223 HG1 THR 34 HG1 THR 34 -9.844 2.358 -7.083 224 HG21 THR 34 HG21 THR 34 -11.724 3.692 -4.289 225 HG22 THR 34 HG22 THR 34 -11.334 2.292 -3.285 226 HG23 THR 34 HG23 THR 34 -12.319 2.090 -4.735 227 H TYR 35 H TYR 35 -6.788 2.183 -3.660 228 HA TYR 35 HA TYR 35 -5.254 2.466 -6.172 229 HB2 TYR 35 HB2 TYR 35 -4.312 3.646 -4.261 230 HB3 TYR 35 HB3 TYR 35 -4.405 2.205 -3.258 231 HD1 TYR 35 HD2 TYR 35 -2.846 3.264 -6.538 232 HD2 TYR 35 HD1 TYR 35 -2.369 1.074 -2.886 233 HE1 TYR 35 HE2 TYR 35 -0.556 2.677 -7.186 234 HE2 TYR 35 HE1 TYR 35 -0.074 0.487 -3.544 235 HH TYR 35 HH TYR 35 1.508 1.938 -6.255 236 H THR 36 H THR 36 -4.362 0.672 -7.191 237 HA THR 36 HA THR 36 -5.107 -1.990 -6.246 238 HB THR 36 HB THR 36 -5.407 -1.594 -8.627 239 HG1 THR 36 HG1 THR 36 -4.694 -3.709 -7.915 240 HG21 THR 36 HG21 THR 36 -3.652 0.105 -9.029 241 HG22 THR 36 HG22 THR 36 -3.528 -1.230 -10.178 242 HG23 THR 36 HG23 THR 36 -2.406 -1.130 -8.817 243 H VAL 37 H VAL 37 -3.750 -3.542 -5.453 244 HA VAL 37 HA VAL 37 -1.128 -2.834 -4.494 245 HB VAL 37 HB VAL 37 -2.596 -5.514 -4.434 246 HG11 VAL 37 HG11 VAL 37 -0.086 -4.689 -2.921 247 HG12 VAL 37 HG12 VAL 37 -0.185 -5.896 -4.203 248 HG13 VAL 37 HG13 VAL 37 -0.989 -6.186 -2.661 249 HG21 VAL 37 HG21 VAL 37 -3.789 -3.762 -3.176 250 HG22 VAL 37 HG22 VAL 37 -2.325 -3.401 -2.256 251 HG23 VAL 37 HG23 VAL 37 -3.117 -4.968 -2.076 252 H THR 38 H THR 38 0.787 -3.236 -5.432 253 HA THR 38 HA THR 38 0.877 -4.468 -8.114 254 HB THR 38 HB THR 38 2.868 -2.580 -6.763 255 HG1 THR 38 HG1 THR 38 0.725 -1.721 -7.365 256 HG21 THR 38 HG21 THR 38 2.725 -3.503 -9.667 257 HG22 THR 38 HG22 THR 38 3.949 -4.004 -8.500 258 HG23 THR 38 HG23 THR 38 3.864 -2.319 -9.014 259 H ILE 39 H ILE 39 1.385 -6.594 -7.937 260 HA ILE 39 HA ILE 39 3.162 -7.610 -5.841 261 HB ILE 39 HB ILE 39 1.590 -9.115 -7.986 262 HG12 ILE 39 HG12 ILE 39 0.094 -7.953 -6.380 263 HG13 ILE 39 HG13 ILE 39 -0.005 -9.696 -6.177 264 HG21 ILE 39 HG21 ILE 39 2.026 -11.153 -6.632 265 HG22 ILE 39 HG22 ILE 39 3.060 -10.212 -5.556 266 HG23 ILE 39 HG23 ILE 39 3.521 -10.439 -7.244 267 HD11 ILE 39 HD11 ILE 39 -0.027 -8.561 -4.040 268 HD12 ILE 39 HD12 ILE 39 1.512 -7.784 -4.402 269 HD13 ILE 39 HD13 ILE 39 1.435 -9.535 -4.192 270 HA PRO 40 HA PRO 40 6.533 -7.631 -9.006 271 HB2 PRO 40 HB2 PRO 40 8.387 -8.169 -6.770 272 HB3 PRO 40 HB3 PRO 40 8.275 -6.739 -7.799 273 HG2 PRO 40 HG2 PRO 40 7.575 -6.697 -5.158 274 HG3 PRO 40 HG3 PRO 40 6.804 -5.648 -6.368 275 HD2 PRO 40 HD2 PRO 40 5.800 -8.269 -5.223 276 HD3 PRO 40 HD3 PRO 40 4.921 -6.737 -5.464 277 H ASP 41 H ASP 41 8.164 -9.228 -9.648 278 HA ASP 41 HA ASP 41 7.065 -11.866 -9.698 279 HB2 ASP 41 HB2 ASP 41 9.709 -10.821 -10.799 280 HB3 ASP 41 HB3 ASP 41 8.976 -12.372 -11.211 281 H GLY 42 H GLY 42 7.391 -13.466 -8.276 282 HA2 GLY 42 HA2 GLY 42 8.558 -14.965 -6.916 283 HA3 GLY 42 HA3 GLY 42 9.954 -13.900 -6.927 284 H TYR 43 H TYR 43 7.062 -12.225 -6.187 285 HA TYR 43 HA TYR 43 7.416 -12.547 -3.248 286 HB2 TYR 43 HB2 TYR 43 6.630 -9.986 -4.719 287 HB3 TYR 43 HB3 TYR 43 6.705 -10.183 -2.973 288 HD1 TYR 43 HD2 TYR 43 8.889 -10.297 -6.032 289 HD2 TYR 43 HD1 TYR 43 8.684 -9.628 -1.812 290 HE1 TYR 43 HE2 TYR 43 11.210 -9.507 -6.048 291 HE2 TYR 43 HE1 TYR 43 11.004 -8.826 -1.826 292 HH TYR 43 HH TYR 43 12.673 -8.078 -4.695 293 H GLU 44 H GLU 44 5.529 -12.584 -1.983 294 HA GLU 44 HA GLU 44 2.913 -12.794 -3.374 295 HB2 GLU 44 HB2 GLU 44 3.806 -14.286 -0.865 296 HB3 GLU 44 HB3 GLU 44 2.233 -14.425 -1.640 297 HG2 GLU 44 HG2 GLU 44 4.891 -15.301 -2.806 298 HG3 GLU 44 HG3 GLU 44 3.648 -16.358 -2.144 299 H TYR 45 H TYR 45 1.106 -11.906 -2.317 300 HA TYR 45 HA TYR 45 1.527 -9.616 -0.667 301 HB2 TYR 45 HB2 TYR 45 -0.311 -9.693 -2.291 302 HB3 TYR 45 HB3 TYR 45 -1.044 -11.054 -1.454 303 HD1 TYR 45 HD2 TYR 45 -0.134 -7.435 -1.003 304 HD2 TYR 45 HD1 TYR 45 -2.634 -10.660 0.293 305 HE1 TYR 45 HE2 TYR 45 -1.424 -5.882 0.390 306 HE2 TYR 45 HE1 TYR 45 -3.913 -9.104 1.685 307 HH TYR 45 HH TYR 45 -3.621 -5.722 1.418 308 H VAL 46 H VAL 46 1.491 -9.400 1.530 309 HA VAL 46 HA VAL 46 0.733 -11.707 3.224 310 HB VAL 46 HB VAL 46 2.482 -9.319 3.959 311 HG11 VAL 46 HG11 VAL 46 1.380 -10.257 5.945 312 HG12 VAL 46 HG12 VAL 46 3.105 -10.624 5.974 313 HG13 VAL 46 HG13 VAL 46 1.945 -11.877 5.521 314 HG21 VAL 46 HG21 VAL 46 3.589 -10.715 2.279 315 HG22 VAL 46 HG22 VAL 46 3.317 -12.155 3.263 316 HG23 VAL 46 HG23 VAL 46 4.392 -10.879 3.843 317 H GLY 47 H GLY 47 0.577 -8.091 3.357 318 HA2 GLY 47 HA2 GLY 47 -2.130 -8.071 4.385 319 HA3 GLY 47 HA3 GLY 47 -0.939 -7.780 5.649 320 H THR 48 H THR 48 -2.506 -5.769 5.564 321 HA THR 48 HA THR 48 -0.947 -3.575 4.386 322 HB THR 48 HB THR 48 -3.920 -3.940 3.794 323 HG1 THR 48 HG1 THR 48 -2.148 -4.823 2.376 324 HG21 THR 48 HG21 THR 48 -3.587 -1.577 4.429 325 HG22 THR 48 HG22 THR 48 -3.866 -1.714 2.693 326 HG23 THR 48 HG23 THR 48 -2.232 -1.451 3.304 327 H ASP 49 H ASP 49 -0.906 -1.771 5.655 328 HA ASP 49 HA ASP 49 -2.626 -1.607 8.073 329 HB2 ASP 49 HB2 ASP 49 0.343 -0.953 7.795 330 HB3 ASP 49 HB3 ASP 49 -0.628 -0.512 9.198 331 H GLY 50 H GLY 50 -3.149 0.523 8.819 332 HA2 GLY 50 HA2 GLY 50 -3.162 2.882 8.763 333 HA3 GLY 50 HA3 GLY 50 -2.425 2.863 7.174 334 H GLY 51 H GLY 51 -3.864 1.945 5.393 335 HA2 GLY 51 HA2 GLY 51 -6.529 3.189 5.525 336 HA3 GLY 51 HA3 GLY 51 -5.696 2.610 4.093 337 H VAL 52 H VAL 52 -8.033 1.853 3.801 338 HA VAL 52 HA VAL 52 -8.754 -0.630 5.224 339 HB VAL 52 HB VAL 52 -10.288 0.833 3.014 340 HG11 VAL 52 HG11 VAL 52 -12.257 -0.466 3.763 341 HG12 VAL 52 HG12 VAL 52 -11.256 -1.328 4.934 342 HG13 VAL 52 HG13 VAL 52 -10.966 -1.532 3.204 343 HG21 VAL 52 HG21 VAL 52 -10.056 2.288 4.981 344 HG22 VAL 52 HG22 VAL 52 -10.686 1.014 6.028 345 HG23 VAL 52 HG23 VAL 52 -11.729 1.749 4.808 346 H VAL 53 H VAL 53 -9.062 -2.660 4.059 347 HA VAL 53 HA VAL 53 -7.797 -2.848 1.386 348 HB VAL 53 HB VAL 53 -6.096 -3.464 3.069 349 HG11 VAL 53 HG11 VAL 53 -6.324 -5.442 4.518 350 HG12 VAL 53 HG12 VAL 53 -7.991 -5.656 3.978 351 HG13 VAL 53 HG13 VAL 53 -7.541 -4.219 4.900 352 HG21 VAL 53 HG21 VAL 53 -5.433 -5.660 2.166 353 HG22 VAL 53 HG22 VAL 53 -6.019 -4.598 0.886 354 HG23 VAL 53 HG23 VAL 53 -7.053 -5.891 1.501 355 H SER 54 H SER 54 -8.540 -4.508 0.044 356 HA SER 54 HA SER 54 -11.206 -5.519 0.394 357 HB2 SER 54 HB2 SER 54 -10.387 -4.992 -1.856 358 HB3 SER 54 HB3 SER 54 -9.077 -6.161 -1.694 359 HG SER 54 HG SER 54 -11.262 -6.687 -2.816 360 H SER 55 H SER 55 -11.841 -7.790 0.346 361 HA SER 55 HA SER 55 -10.430 -9.533 2.119 362 HB2 SER 55 HB2 SER 55 -12.780 -10.113 0.267 363 HB3 SER 55 HB3 SER 55 -12.189 -11.213 1.517 364 HG SER 55 HG SER 55 -13.884 -10.041 2.349 365 H ASP 56 H ASP 56 -10.431 -9.160 -1.380 366 HA ASP 56 HA ASP 56 -8.912 -11.563 -1.943 367 HB2 ASP 56 HB2 ASP 56 -9.319 -9.068 -3.667 368 HB3 ASP 56 HB3 ASP 56 -8.773 -10.647 -4.223 369 H GLY 57 H GLY 57 -8.174 -8.393 -0.792 370 HA2 GLY 57 HA2 GLY 57 -6.241 -7.292 -0.254 371 HA3 GLY 57 HA3 GLY 57 -5.396 -8.808 -0.471 372 H LYS 58 H LYS 58 -7.071 -7.801 -3.281 373 HA LYS 58 HA LYS 58 -4.563 -7.165 -4.662 374 HB2 LYS 58 HB2 LYS 58 -7.372 -7.597 -5.754 375 HB3 LYS 58 HB3 LYS 58 -5.923 -7.373 -6.735 376 HG2 LYS 58 HG2 LYS 58 -4.972 -9.456 -5.737 377 HG3 LYS 58 HG3 LYS 58 -6.485 -9.698 -4.858 378 HD2 LYS 58 HD2 LYS 58 -6.152 -9.647 -7.889 379 HD3 LYS 58 HD3 LYS 58 -6.403 -11.083 -6.896 380 HE2 LYS 58 HE2 LYS 58 -8.639 -10.236 -6.247 381 HE3 LYS 58 HE3 LYS 58 -8.386 -8.804 -7.247 382 HZ1 LYS 58 HZ1 LYS 58 -9.692 -10.379 -8.446 383 HZ2 LYS 58 HZ2 LYS 58 -8.571 -11.615 -8.182 384 HZ3 LYS 58 HZ3 LYS 58 -8.168 -10.306 -9.174 385 H THR 59 H THR 59 -7.295 -5.467 -3.401 386 HA THR 59 HA THR 59 -6.148 -2.916 -4.385 387 HB THR 59 HB THR 59 -8.423 -1.879 -4.466 388 HG1 THR 59 HG1 THR 59 -10.247 -3.080 -4.181 389 HG21 THR 59 HG21 THR 59 -8.182 -4.287 -6.311 390 HG22 THR 59 HG22 THR 59 -7.468 -2.695 -6.587 391 HG23 THR 59 HG23 THR 59 -9.224 -2.884 -6.573 392 H VAL 60 H VAL 60 -6.395 -1.175 -2.984 393 HA VAL 60 HA VAL 60 -7.277 -1.635 -0.207 394 HB VAL 60 HB VAL 60 -5.306 -0.179 0.551 395 HG11 VAL 60 HG11 VAL 60 -4.570 -2.835 -0.735 396 HG12 VAL 60 HG12 VAL 60 -5.255 -2.616 0.876 397 HG13 VAL 60 HG13 VAL 60 -3.640 -2.004 0.519 398 HG21 VAL 60 HG21 VAL 60 -4.701 0.849 -1.605 399 HG22 VAL 60 HG22 VAL 60 -4.229 -0.728 -2.245 400 HG23 VAL 60 HG23 VAL 60 -3.318 -0.005 -0.913 401 H THR 61 H THR 61 -8.781 -0.142 0.388 402 HA THR 61 HA THR 61 -9.315 2.193 -1.300 403 HB THR 61 HB THR 61 -10.860 1.172 1.129 404 HG1 THR 61 HG1 THR 61 -11.395 -0.288 -0.322 405 HG21 THR 61 HG21 THR 61 -11.302 3.575 0.746 406 HG22 THR 61 HG22 THR 61 -12.711 2.617 0.289 407 HG23 THR 61 HG23 THR 61 -11.637 3.255 -0.958 408 H ILE 62 H ILE 62 -8.122 3.922 -0.925 409 HA ILE 62 HA ILE 62 -7.047 4.541 1.765 410 HB ILE 62 HB ILE 62 -6.000 5.389 -0.975 411 HG12 ILE 62 HG12 ILE 62 -5.004 3.159 0.865 412 HG13 ILE 62 HG13 ILE 62 -5.852 2.927 -0.659 413 HG21 ILE 62 HG21 ILE 62 -5.353 6.962 0.802 414 HG22 ILE 62 HG22 ILE 62 -3.944 6.054 0.254 415 HG23 ILE 62 HG23 ILE 62 -4.724 5.634 1.779 416 HD11 ILE 62 HD11 ILE 62 -3.128 4.149 -0.306 417 HD12 ILE 62 HD12 ILE 62 -3.981 3.972 -1.841 418 HD13 ILE 62 HD13 ILE 62 -3.499 2.543 -0.929 419 H THR 63 H THR 63 -8.270 6.095 2.713 420 HA THR 63 HA THR 63 -9.372 8.339 1.147 421 HB THR 63 HB THR 63 -9.651 7.791 4.143 422 HG1 THR 63 HG1 THR 63 -11.864 7.234 3.405 423 HG21 THR 63 HG21 THR 63 -9.999 10.184 3.579 424 HG22 THR 63 HG22 THR 63 -11.521 9.418 4.037 425 HG23 THR 63 HG23 THR 63 -11.168 9.721 2.333 426 H PHE 64 H PHE 64 -8.317 10.281 1.024 427 HA PHE 64 HA PHE 64 -5.715 10.693 2.115 428 HB2 PHE 64 HB2 PHE 64 -7.584 12.844 1.050 429 HB3 PHE 64 HB3 PHE 64 -5.837 12.949 1.190 430 HD1 PHE 64 HD2 PHE 64 -4.387 11.579 -0.357 431 HD2 PHE 64 HD1 PHE 64 -8.629 11.834 -0.874 432 HE1 PHE 64 HE2 PHE 64 -4.170 10.766 -2.658 433 HE2 PHE 64 HE1 PHE 64 -8.396 11.022 -3.175 434 HZ PHE 64 HZ PHE 64 -6.167 10.487 -4.073 435 H ALA 65 H ALA 65 -5.032 12.131 3.800 436 HA ALA 65 HA ALA 65 -7.063 13.339 5.542 437 HB1 ALA 65 HB1 ALA 65 -5.126 11.229 6.571 438 HB2 ALA 65 HB2 ALA 65 -6.867 11.022 6.372 439 HB3 ALA 65 HB3 ALA 65 -6.248 12.173 7.558 440 H ALA 66 H ALA 66 -6.316 15.025 6.810 441 HA ALA 66 HA ALA 66 -3.565 15.962 6.609 442 HB1 ALA 66 HB1 ALA 66 -4.309 17.765 8.127 443 HB2 ALA 66 HB2 ALA 66 -5.855 16.941 8.354 444 HB3 ALA 66 HB3 ALA 66 -5.417 17.574 6.766 445 H ASP 67 H ASP 67 -5.083 13.565 8.337 446 HA ASP 67 HA ASP 67 -3.344 13.576 10.698 447 HB2 ASP 67 HB2 ASP 67 -5.836 13.153 10.867 448 HB3 ASP 67 HB3 ASP 67 -5.622 11.695 9.907 449 H ASP 68 H ASP 68 -2.287 11.442 11.261 450 HA ASP 68 HA ASP 68 -0.576 10.547 9.155 451 HB2 ASP 68 HB2 ASP 68 -0.897 9.507 11.997 452 HB3 ASP 68 HB3 ASP 68 0.443 9.118 10.919 453 H SER 69 H SER 69 -3.692 9.497 9.841 454 HA SER 69 HA SER 69 -3.488 6.689 9.319 455 HB2 SER 69 HB2 SER 69 -5.864 8.574 9.046 456 HB3 SER 69 HB3 SER 69 -5.972 6.813 8.974 457 HG SER 69 HG SER 69 -5.113 8.397 11.172 458 H ASP 70 H ASP 70 -2.709 9.119 7.224 459 HA ASP 70 HA ASP 70 -3.878 8.180 4.754 460 HB2 ASP 70 HB2 ASP 70 -2.532 9.881 3.702 461 HB3 ASP 70 HB3 ASP 70 -3.107 10.568 5.214 462 H ASN 71 H ASN 71 -1.097 7.367 6.679 463 HA ASN 71 HA ASN 71 0.661 6.408 4.640 464 HB2 ASN 71 HB2 ASN 71 0.702 5.730 7.610 465 HB3 ASN 71 HB3 ASN 71 2.046 5.581 6.486 466 HD21 ASN 71 HD21 ASN 71 1.530 8.183 5.216 467 HD22 ASN 71 HD22 ASN 71 2.016 9.362 6.370 468 H VAL 72 H VAL 72 -0.133 4.763 3.376 469 HA VAL 72 HA VAL 72 -1.316 2.364 4.653 470 HB VAL 72 HB VAL 72 -1.309 3.276 1.732 471 HG11 VAL 72 HG11 VAL 72 -2.892 1.410 1.301 472 HG12 VAL 72 HG12 VAL 72 -2.663 0.832 2.954 473 HG13 VAL 72 HG13 VAL 72 -1.313 0.812 1.818 474 HG21 VAL 72 HG21 VAL 72 -3.539 3.195 3.803 475 HG22 VAL 72 HG22 VAL 72 -3.743 3.627 2.105 476 HG23 VAL 72 HG23 VAL 72 -2.760 4.643 3.158 477 H VAL 73 H VAL 73 0.010 0.692 4.998 478 HA VAL 73 HA VAL 73 2.561 0.474 3.497 479 HB VAL 73 HB VAL 73 1.918 -0.430 6.349 480 HG11 VAL 73 HG11 VAL 73 4.338 -0.945 6.534 481 HG12 VAL 73 HG12 VAL 73 4.553 -0.563 4.824 482 HG13 VAL 73 HG13 VAL 73 3.556 -1.940 5.304 483 HG21 VAL 73 HG21 VAL 73 3.684 1.858 5.382 484 HG22 VAL 73 HG22 VAL 73 3.472 1.357 7.063 485 HG23 VAL 73 HG23 VAL 73 2.110 2.024 6.163 486 H ILE 74 H ILE 74 2.337 -1.056 1.976 487 HA ILE 74 HA ILE 74 0.598 -3.391 2.389 488 HB ILE 74 HB ILE 74 2.020 -2.408 -0.130 489 HG12 ILE 74 HG12 ILE 74 -0.940 -2.270 0.649 490 HG13 ILE 74 HG13 ILE 74 0.174 -0.909 0.648 491 HG21 ILE 74 HG21 ILE 74 1.737 -4.851 -0.208 492 HG22 ILE 74 HG22 ILE 74 0.641 -4.076 -1.350 493 HG23 ILE 74 HG23 ILE 74 0.021 -4.688 0.184 494 HD11 ILE 74 HD11 ILE 74 -0.709 -2.464 -1.782 495 HD12 ILE 74 HD12 ILE 74 0.398 -1.086 -1.775 496 HD13 ILE 74 HD13 ILE 74 -1.281 -0.872 -1.285 497 H HIS 75 H HIS 75 1.451 -5.200 3.114 498 HA HIS 75 HA HIS 75 4.311 -5.627 3.368 499 HB2 HIS 75 HB2 HIS 75 1.854 -7.071 4.445 500 HB3 HIS 75 HB3 HIS 75 3.495 -7.663 4.709 501 HD1 HIS 75 HD1 HIS 75 4.564 -6.869 6.784 502 HD2 HIS 75 HD2 HIS 75 1.569 -4.275 5.538 503 HE1 HIS 75 HE1 HIS 75 4.407 -5.110 8.573 504 HE2 HIS 75 HE2 HIS 75 2.439 -3.706 7.898 505 H LEU 76 H LEU 76 5.479 -7.188 2.375 506 HA LEU 76 HA LEU 76 4.252 -9.177 0.581 507 HB2 LEU 76 HB2 LEU 76 6.493 -7.264 -0.230 508 HB3 LEU 76 HB3 LEU 76 5.976 -8.655 -1.178 509 HG LEU 76 HG LEU 76 4.251 -6.219 -0.566 510 HD11 LEU 76 HD11 LEU 76 5.666 -6.972 -3.137 511 HD12 LEU 76 HD12 LEU 76 6.077 -5.630 -2.066 512 HD13 LEU 76 HD13 LEU 76 4.541 -5.626 -2.928 513 HD21 LEU 76 HD21 LEU 76 2.666 -7.145 -2.204 514 HD22 LEU 76 HD22 LEU 76 2.892 -8.253 -0.849 515 HD23 LEU 76 HD23 LEU 76 3.680 -8.580 -2.397 516 H LYS 77 H LYS 77 5.403 -11.097 0.514 517 HA LYS 77 HA LYS 77 8.076 -11.236 1.814 518 HB2 LYS 77 HB2 LYS 77 7.540 -13.393 2.774 519 HB3 LYS 77 HB3 LYS 77 6.288 -12.254 3.260 520 HG2 LYS 77 HG2 LYS 77 4.783 -13.164 1.520 521 HG3 LYS 77 HG3 LYS 77 6.039 -14.313 1.038 522 HD2 LYS 77 HD2 LYS 77 5.966 -15.304 3.339 523 HD3 LYS 77 HD3 LYS 77 4.654 -14.194 3.751 524 HE2 LYS 77 HE2 LYS 77 3.251 -15.218 1.983 525 HE3 LYS 77 HE3 LYS 77 4.565 -16.331 1.590 526 HZ1 LYS 77 HZ1 LYS 77 4.418 -17.229 3.830 527 HZ2 LYS 77 HZ2 LYS 77 2.942 -17.364 3.024 528 HZ3 LYS 77 HZ3 LYS 77 3.153 -16.168 4.201 529 H HIS 78 H HIS 78 9.183 -13.396 1.135 530 HA HIS 78 HA HIS 78 9.274 -13.461 -1.774 531 HB2 HIS 78 HB2 HIS 78 10.906 -15.082 0.227 532 HB3 HIS 78 HB3 HIS 78 11.272 -14.849 -1.483 533 HD1 HIS 78 HD1 HIS 78 13.042 -13.978 1.081 534 HD2 HIS 78 HD2 HIS 78 10.792 -11.488 -1.365 535 HE1 HIS 78 HE1 HIS 78 14.050 -11.697 1.342 536 HE2 HIS 78 HE2 HIS 78 12.464 -10.191 0.108 537 H GLY 79 H GLY 79 8.130 -14.832 -3.003 538 HA2 GLY 79 HA2 GLY 79 7.167 -17.442 -1.929 539 HA3 GLY 79 HA3 GLY 79 6.360 -16.508 -3.185 540 H LEU 80 H LEU 80 9.806 -17.075 -2.855 541 HA LEU 80 HA LEU 80 10.158 -17.576 -5.629 542 HB2 LEU 80 HB2 LEU 80 11.760 -16.392 -4.060 543 HB3 LEU 80 HB3 LEU 80 12.182 -17.946 -3.381 544 HG LEU 80 HG LEU 80 13.830 -16.933 -5.068 545 HD11 LEU 80 HD11 LEU 80 12.860 -19.724 -5.752 546 HD12 LEU 80 HD12 LEU 80 13.985 -19.310 -4.459 547 HD13 LEU 80 HD13 LEU 80 14.440 -19.035 -6.138 548 HD21 LEU 80 HD21 LEU 80 12.183 -16.102 -6.698 549 HD22 LEU 80 HD22 LEU 80 11.742 -17.760 -7.112 550 HD23 LEU 80 HD23 LEU 80 13.367 -17.163 -7.460 551 H GLU 81 H GLU 81 9.398 -19.417 -6.467 552 HA GLU 81 HA GLU 81 10.664 -21.951 -5.672 553 HB2 GLU 81 HB2 GLU 81 8.319 -21.907 -4.752 554 HB3 GLU 81 HB3 GLU 81 7.697 -21.667 -6.381 555 HG2 GLU 81 HG2 GLU 81 8.497 -23.867 -7.063 556 HG3 GLU 81 HG3 GLU 81 9.288 -24.110 -5.507 557 H HIS 82 H HIS 82 11.275 -23.213 -7.448 558 HA HIS 82 HA HIS 82 11.755 -21.866 -9.906 559 HB2 HIS 82 HB2 HIS 82 11.981 -24.851 -9.320 560 HB3 HIS 82 HB3 HIS 82 12.686 -24.028 -10.711 561 HD1 HIS 82 HD1 HIS 82 14.739 -22.426 -10.209 562 HD2 HIS 82 HD2 HIS 82 13.453 -24.685 -6.964 563 HE1 HIS 82 HE1 HIS 82 16.578 -22.287 -8.508 564 HE2 HIS 82 HE2 HIS 82 15.838 -23.772 -6.624 565 H HIS 83 H HIS 83 11.007 -22.348 -12.037 566 HA HIS 83 HA HIS 83 8.367 -22.148 -12.572 567 HB2 HIS 83 HB2 HIS 83 8.977 -23.114 -14.928 568 HB3 HIS 83 HB3 HIS 83 9.774 -21.654 -14.369 569 HD1 HIS 83 HD1 HIS 83 10.751 -25.282 -13.630 570 HD2 HIS 83 HD2 HIS 83 12.249 -21.869 -15.480 571 HE1 HIS 83 HE1 HIS 83 13.104 -25.835 -14.265 572 HE2 HIS 83 HE2 HIS 83 13.919 -23.844 -15.538 573 H HIS 84 H HIS 84 6.832 -23.395 -11.701 574 HA HIS 84 HA HIS 84 7.088 -26.346 -11.690 575 HB2 HIS 84 HB2 HIS 84 5.654 -26.254 -9.614 576 HB3 HIS 84 HB3 HIS 84 7.229 -25.489 -9.442 577 HD1 HIS 84 HD1 HIS 84 3.614 -24.825 -9.125 578 HD2 HIS 84 HD2 HIS 84 7.110 -22.586 -9.319 579 HE1 HIS 84 HE1 HIS 84 3.002 -22.535 -8.314 580 HE2 HIS 84 HE2 HIS 84 5.133 -21.221 -8.382 581 H HIS 85 H HIS 85 5.509 -27.593 -12.505 582 HA HIS 85 HA HIS 85 2.916 -26.376 -13.300 583 HB2 HIS 85 HB2 HIS 85 4.659 -28.288 -14.893 584 HB3 HIS 85 HB3 HIS 85 2.964 -28.000 -15.275 585 HD1 HIS 85 HD1 HIS 85 2.341 -25.690 -16.266 586 HD2 HIS 85 HD2 HIS 85 6.408 -26.166 -15.581 587 HE1 HIS 85 HE1 HIS 85 3.452 -23.770 -17.434 588 HE2 HIS 85 HE2 HIS 85 5.910 -24.201 -17.170 589 H HIS 86 H HIS 86 1.707 -27.081 -11.679 590 HA HIS 86 HA HIS 86 1.112 -29.972 -11.437 591 HB2 HIS 86 HB2 HIS 86 1.345 -28.005 -9.101 592 HB3 HIS 86 HB3 HIS 86 0.763 -29.660 -8.971 593 HD1 HIS 86 HD1 HIS 86 2.554 -31.569 -9.216 594 HD2 HIS 86 HD2 HIS 86 4.129 -27.723 -9.139 595 HE1 HIS 86 HE1 HIS 86 5.017 -31.852 -8.834 596 HE2 HIS 86 HE2 HIS 86 5.961 -29.533 -8.968 597 H HIS 87 H HIS 87 -1.122 -30.101 -10.068 598 HA HIS 87 HA HIS 87 -2.961 -27.896 -10.642 599 HB2 HIS 87 HB2 HIS 87 -2.864 -29.320 -12.743 600 HB3 HIS 87 HB3 HIS 87 -3.480 -30.671 -11.808 601 HD1 HIS 87 HD1 HIS 87 -4.513 -27.369 -13.264 602 HD2 HIS 87 HD2 HIS 87 -6.262 -30.624 -11.362 603 HE1 HIS 87 HE1 HIS 87 -6.982 -27.083 -13.565 604 HE2 HIS 87 HE2 HIS 87 -8.019 -28.961 -12.264 Start of MODEL 5 1 H1 MET 1 H1 MET 1 -8.968 22.460 -1.362 2 H2 MET 1 H2 MET 1 -7.997 22.893 -2.672 3 H3 MET 1 H3 MET 1 -8.167 23.949 -1.361 4 HA MET 1 HA MET 1 -6.043 22.843 -1.329 5 HB2 MET 1 HB2 MET 1 -7.220 23.541 0.781 6 HB3 MET 1 HB3 MET 1 -7.883 21.921 0.925 7 HG2 MET 1 HG2 MET 1 -4.914 22.512 0.929 8 HG3 MET 1 HG3 MET 1 -5.890 22.418 2.393 9 HE1 MET 1 HE1 MET 1 -4.176 20.595 3.345 10 HE2 MET 1 HE2 MET 1 -3.232 20.648 1.854 11 HE3 MET 1 HE3 MET 1 -3.775 19.099 2.498 12 H ASP 2 H ASP 2 -5.297 21.249 -2.625 13 HA ASP 2 HA ASP 2 -6.432 18.557 -2.651 14 HB2 ASP 2 HB2 ASP 2 -3.896 19.621 -3.987 15 HB3 ASP 2 HB3 ASP 2 -4.656 18.062 -4.307 16 H GLU 3 H GLU 3 -6.004 17.293 -0.872 17 HA GLU 3 HA GLU 3 -3.346 17.412 0.419 18 HB2 GLU 3 HB2 GLU 3 -5.370 17.553 1.870 19 HB3 GLU 3 HB3 GLU 3 -5.855 15.942 1.345 20 HG2 GLU 3 HG2 GLU 3 -4.066 14.896 2.491 21 HG3 GLU 3 HG3 GLU 3 -3.156 16.397 2.643 22 H ASP 4 H ASP 4 -1.954 15.624 0.496 23 HA ASP 4 HA ASP 4 -2.476 13.564 -1.555 24 HB2 ASP 4 HB2 ASP 4 -0.009 13.336 -1.702 25 HB3 ASP 4 HB3 ASP 4 -0.552 14.974 -2.039 26 H ALA 5 H ALA 5 -1.350 11.457 -1.220 27 HA ALA 5 HA ALA 5 -1.187 10.499 1.569 28 HB1 ALA 5 HB1 ALA 5 -2.559 8.510 1.030 29 HB2 ALA 5 HB2 ALA 5 -2.856 9.149 -0.590 30 HB3 ALA 5 HB3 ALA 5 -3.485 9.999 0.819 31 H THR 6 H THR 6 0.151 8.679 1.842 32 HA THR 6 HA THR 6 2.062 8.168 -0.375 33 HB THR 6 HB THR 6 2.426 8.283 2.634 34 HG1 THR 6 HG1 THR 6 2.675 10.102 0.880 35 HG21 THR 6 HG21 THR 6 4.414 7.177 0.644 36 HG22 THR 6 HG22 THR 6 3.699 6.315 2.003 37 HG23 THR 6 HG23 THR 6 4.818 7.648 2.295 38 H ILE 7 H ILE 7 2.349 6.094 -1.066 39 HA ILE 7 HA ILE 7 1.388 3.817 0.580 40 HB ILE 7 HB ILE 7 1.758 3.722 -2.464 41 HG12 ILE 7 HG12 ILE 7 -0.858 3.497 -2.445 42 HG13 ILE 7 HG13 ILE 7 -0.781 4.272 -0.870 43 HG21 ILE 7 HG21 ILE 7 0.542 1.566 -2.284 44 HG22 ILE 7 HG22 ILE 7 0.450 1.755 -0.534 45 HG23 ILE 7 HG23 ILE 7 2.018 1.554 -1.319 46 HD11 ILE 7 HD11 ILE 7 0.256 6.243 -1.909 47 HD12 ILE 7 HD12 ILE 7 -1.307 5.859 -2.628 48 HD13 ILE 7 HD13 ILE 7 0.178 5.446 -3.483 49 H THR 8 H THR 8 2.936 2.302 1.108 50 HA THR 8 HA THR 8 5.523 2.238 -0.290 51 HB THR 8 HB THR 8 5.302 2.684 2.727 52 HG1 THR 8 HG1 THR 8 5.794 4.392 0.566 53 HG21 THR 8 HG21 THR 8 7.211 1.206 2.180 54 HG22 THR 8 HG22 THR 8 7.773 2.789 2.720 55 HG23 THR 8 HG23 THR 8 7.794 2.386 1.002 56 H TYR 9 H TYR 9 5.637 0.146 -0.881 57 HA TYR 9 HA TYR 9 4.630 -2.081 0.649 58 HB2 TYR 9 HB2 TYR 9 6.540 -2.003 -1.733 59 HB3 TYR 9 HB3 TYR 9 5.840 -3.469 -1.065 60 HD1 TYR 9 HD2 TYR 9 4.875 -0.215 -2.701 61 HD2 TYR 9 HD1 TYR 9 3.787 -4.278 -1.930 62 HE1 TYR 9 HE2 TYR 9 2.985 -0.010 -4.253 63 HE2 TYR 9 HE1 TYR 9 1.907 -4.072 -3.487 64 HH TYR 9 HH TYR 9 0.478 -2.203 -4.395 65 H VAL 10 H VAL 10 5.842 -3.603 1.854 66 HA VAL 10 HA VAL 10 8.740 -3.326 2.239 67 HB VAL 10 HB VAL 10 8.611 -3.467 4.715 68 HG11 VAL 10 HG11 VAL 10 8.850 -1.221 3.755 69 HG12 VAL 10 HG12 VAL 10 7.942 -1.169 5.265 70 HG13 VAL 10 HG13 VAL 10 7.095 -1.030 3.721 71 HG21 VAL 10 HG21 VAL 10 5.601 -3.120 4.421 72 HG22 VAL 10 HG22 VAL 10 6.490 -3.091 5.946 73 HG23 VAL 10 HG23 VAL 10 6.439 -4.569 4.989 74 H ASP 11 H ASP 11 9.727 -5.348 2.673 75 HA ASP 11 HA ASP 11 8.068 -7.755 2.699 76 HB2 ASP 11 HB2 ASP 11 11.091 -7.398 2.670 77 HB3 ASP 11 HB3 ASP 11 10.283 -8.962 2.677 78 H ASP 12 H ASP 12 7.238 -8.321 4.677 79 HA ASP 12 HA ASP 12 8.532 -7.931 7.206 80 HB2 ASP 12 HB2 ASP 12 6.874 -9.745 7.991 81 HB3 ASP 12 HB3 ASP 12 6.190 -8.278 7.307 82 H ASP 13 H ASP 13 8.866 -10.313 4.693 83 HA ASP 13 HA ASP 13 10.322 -12.359 5.944 84 HB2 ASP 13 HB2 ASP 13 9.348 -12.446 3.658 85 HB3 ASP 13 HB3 ASP 13 10.495 -11.234 3.105 86 H LYS 14 H LYS 14 11.290 -9.143 4.837 87 HA LYS 14 HA LYS 14 14.173 -9.710 5.261 88 HB2 LYS 14 HB2 LYS 14 13.144 -8.886 2.973 89 HB3 LYS 14 HB3 LYS 14 13.051 -7.320 3.752 90 HG2 LYS 14 HG2 LYS 14 15.055 -7.117 2.628 91 HG3 LYS 14 HG3 LYS 14 15.643 -7.704 4.180 92 HD2 LYS 14 HD2 LYS 14 15.088 -9.552 1.821 93 HD3 LYS 14 HD3 LYS 14 16.645 -8.770 2.064 94 HE2 LYS 14 HE2 LYS 14 15.341 -10.676 4.038 95 HE3 LYS 14 HE3 LYS 14 16.598 -11.113 2.883 96 HZ1 LYS 14 HZ1 LYS 14 17.536 -10.699 5.045 97 HZ2 LYS 14 HZ2 LYS 14 16.870 -9.146 5.091 98 HZ3 LYS 14 HZ3 LYS 14 18.073 -9.521 3.961 99 H GLY 15 H GLY 15 12.254 -9.088 7.414 100 HA2 GLY 15 HA2 GLY 15 12.198 -7.920 9.386 101 HA3 GLY 15 HA3 GLY 15 13.713 -7.174 8.930 102 H GLY 16 H GLY 16 10.809 -6.835 7.013 103 HA2 GLY 16 HA2 GLY 16 9.292 -5.093 6.726 104 HA3 GLY 16 HA3 GLY 16 9.994 -4.267 8.106 105 H ALA 17 H ALA 17 11.957 -5.334 5.361 106 HA ALA 17 HA ALA 17 12.921 -2.638 4.877 107 HB1 ALA 17 HB1 ALA 17 14.450 -4.560 4.856 108 HB2 ALA 17 HB2 ALA 17 14.472 -3.723 3.302 109 HB3 ALA 17 HB3 ALA 17 13.590 -5.244 3.474 110 H GLN 18 H GLN 18 12.477 -1.305 3.142 111 HA GLN 18 HA GLN 18 9.936 -1.511 1.933 112 HB2 GLN 18 HB2 GLN 18 10.892 0.653 2.461 113 HB3 GLN 18 HB3 GLN 18 12.250 0.379 1.378 114 HG2 GLN 18 HG2 GLN 18 10.759 0.488 -0.566 115 HG3 GLN 18 HG3 GLN 18 9.362 0.690 0.492 116 HE21 GLN 18 HE21 GLN 18 10.404 2.445 -1.608 117 HE22 GLN 18 HE22 GLN 18 10.672 3.976 -0.854 118 H VAL 19 H VAL 19 9.211 -2.229 0.018 119 HA VAL 19 HA VAL 19 10.973 -3.562 -1.905 120 HB VAL 19 HB VAL 19 7.930 -3.284 -1.959 121 HG11 VAL 19 HG11 VAL 19 9.718 -5.213 -3.475 122 HG12 VAL 19 HG12 VAL 19 8.833 -3.850 -4.159 123 HG13 VAL 19 HG13 VAL 19 7.951 -5.223 -3.490 124 HG21 VAL 19 HG21 VAL 19 7.798 -5.546 -1.001 125 HG22 VAL 19 HG22 VAL 19 8.618 -4.436 0.097 126 HG23 VAL 19 HG23 VAL 19 9.557 -5.591 -0.849 127 H GLY 20 H GLY 20 11.984 -2.146 -3.264 128 HA2 GLY 20 HA2 GLY 20 12.309 -0.643 -4.965 129 HA3 GLY 20 HA3 GLY 20 10.587 -0.729 -5.286 130 H ASP 21 H ASP 21 9.925 1.348 -5.483 131 HA ASP 21 HA ASP 21 11.013 3.481 -3.756 132 HB2 ASP 21 HB2 ASP 21 9.962 5.024 -5.424 133 HB3 ASP 21 HB3 ASP 21 11.116 3.911 -6.149 134 H ILE 22 H ILE 22 9.170 5.353 -3.597 135 HA ILE 22 HA ILE 22 6.805 4.241 -2.203 136 HB ILE 22 HB ILE 22 8.124 6.994 -2.086 137 HG12 ILE 22 HG12 ILE 22 7.866 4.819 0.044 138 HG13 ILE 22 HG13 ILE 22 9.331 5.220 -0.843 139 HG21 ILE 22 HG21 ILE 22 5.701 7.317 -1.876 140 HG22 ILE 22 HG22 ILE 22 6.485 7.613 -0.325 141 HG23 ILE 22 HG23 ILE 22 5.621 6.100 -0.600 142 HD11 ILE 22 HD11 ILE 22 9.378 6.117 1.410 143 HD12 ILE 22 HD12 ILE 22 7.899 7.028 1.106 144 HD13 ILE 22 HD13 ILE 22 9.377 7.420 0.223 145 H VAL 23 H VAL 23 4.758 4.641 -2.983 146 HA VAL 23 HA VAL 23 4.402 6.180 -5.479 147 HB VAL 23 HB VAL 23 2.391 4.395 -4.026 148 HG11 VAL 23 HG11 VAL 23 1.289 6.016 -5.502 149 HG12 VAL 23 HG12 VAL 23 1.141 4.387 -6.162 150 HG13 VAL 23 HG13 VAL 23 2.308 5.514 -6.855 151 HG21 VAL 23 HG21 VAL 23 2.889 2.659 -5.714 152 HG22 VAL 23 HG22 VAL 23 4.310 3.045 -4.743 153 HG23 VAL 23 HG23 VAL 23 4.170 3.674 -6.386 154 H THR 24 H THR 24 2.885 7.953 -5.587 155 HA THR 24 HA THR 24 1.609 8.837 -3.048 156 HB THR 24 HB THR 24 3.112 10.734 -4.913 157 HG1 THR 24 HG1 THR 24 3.935 9.262 -2.735 158 HG21 THR 24 HG21 THR 24 1.760 11.273 -2.230 159 HG22 THR 24 HG22 THR 24 1.191 11.832 -3.805 160 HG23 THR 24 HG23 THR 24 2.713 12.440 -3.156 161 H VAL 25 H VAL 25 -0.468 9.447 -3.283 162 HA VAL 25 HA VAL 25 -1.495 10.279 -5.949 163 HB VAL 25 HB VAL 25 -3.731 9.358 -5.310 164 HG11 VAL 25 HG11 VAL 25 -2.236 7.950 -6.657 165 HG12 VAL 25 HG12 VAL 25 -3.211 6.953 -5.577 166 HG13 VAL 25 HG13 VAL 25 -1.515 7.273 -5.193 167 HG21 VAL 25 HG21 VAL 25 -3.539 9.486 -2.852 168 HG22 VAL 25 HG22 VAL 25 -2.317 8.213 -2.862 169 HG23 VAL 25 HG23 VAL 25 -3.973 7.851 -3.355 170 H THR 26 H THR 26 -3.461 11.778 -5.758 171 HA THR 26 HA THR 26 -3.433 13.449 -3.313 172 HB THR 26 HB THR 26 -1.970 14.619 -4.895 173 HG1 THR 26 HG1 THR 26 -4.107 16.316 -5.178 174 HG21 THR 26 HG21 THR 26 -2.834 13.737 -7.041 175 HG22 THR 26 HG22 THR 26 -2.794 15.501 -7.055 176 HG23 THR 26 HG23 THR 26 -4.326 14.657 -6.824 177 H GLY 27 H GLY 27 -5.315 14.624 -2.885 178 HA2 GLY 27 HA2 GLY 27 -7.690 14.656 -4.446 179 HA3 GLY 27 HA3 GLY 27 -7.747 13.304 -3.317 180 H LYS 28 H LYS 28 -8.784 13.788 -1.423 181 HA LYS 28 HA LYS 28 -8.468 16.351 -0.087 182 HB2 LYS 28 HB2 LYS 28 -10.139 16.888 -1.855 183 HB3 LYS 28 HB3 LYS 28 -11.168 15.582 -1.284 184 HG2 LYS 28 HG2 LYS 28 -12.060 17.686 -0.506 185 HG3 LYS 28 HG3 LYS 28 -11.447 16.785 0.884 186 HD2 LYS 28 HD2 LYS 28 -9.366 18.168 0.827 187 HD3 LYS 28 HD3 LYS 28 -10.031 19.083 -0.531 188 HE2 LYS 28 HE2 LYS 28 -11.142 18.956 2.290 189 HE3 LYS 28 HE3 LYS 28 -10.352 20.337 1.529 190 HZ1 LYS 28 HZ1 LYS 28 -12.206 20.311 -0.129 191 HZ2 LYS 28 HZ2 LYS 28 -12.668 20.708 1.447 192 HZ3 LYS 28 HZ3 LYS 28 -12.988 19.161 0.840 193 H THR 29 H THR 29 -9.147 16.327 2.066 194 HA THR 29 HA THR 29 -9.314 14.070 3.613 195 HB THR 29 HB THR 29 -10.388 15.522 5.380 196 HG1 THR 29 HG1 THR 29 -11.062 17.551 4.860 197 HG21 THR 29 HG21 THR 29 -7.932 15.595 5.094 198 HG22 THR 29 HG22 THR 29 -8.560 17.185 5.536 199 HG23 THR 29 HG23 THR 29 -8.101 16.851 3.864 200 H ASP 30 H ASP 30 -12.095 15.835 2.218 201 HA ASP 30 HA ASP 30 -14.186 14.354 3.416 202 HB2 ASP 30 HB2 ASP 30 -14.181 15.827 0.742 203 HB3 ASP 30 HB3 ASP 30 -15.622 15.307 1.610 204 H ASP 31 H ASP 31 -12.196 13.669 0.616 205 HA ASP 31 HA ASP 31 -14.067 11.618 -0.394 206 HB2 ASP 31 HB2 ASP 31 -11.772 13.053 -1.788 207 HB3 ASP 31 HB3 ASP 31 -12.816 11.846 -2.534 208 H SER 32 H SER 32 -13.405 9.575 -0.934 209 HA SER 32 HA SER 32 -10.789 8.594 0.061 210 HB2 SER 32 HB2 SER 32 -11.851 6.338 0.067 211 HB3 SER 32 HB3 SER 32 -12.750 7.475 1.071 212 HG SER 32 HG SER 32 -14.383 6.775 -0.078 213 H THR 33 H THR 33 -9.575 7.181 -1.269 214 HA THR 33 HA THR 33 -10.262 7.051 -4.160 215 HB THR 33 HB THR 33 -8.469 8.752 -3.820 216 HG1 THR 33 HG1 THR 33 -8.402 7.658 -5.768 217 HG21 THR 33 HG21 THR 33 -6.791 6.439 -2.772 218 HG22 THR 33 HG22 THR 33 -7.372 7.798 -1.808 219 HG23 THR 33 HG23 THR 33 -6.204 8.069 -3.104 220 H THR 34 H THR 34 -9.354 5.245 -5.323 221 HA THR 34 HA THR 34 -8.715 2.889 -3.630 222 HB THR 34 HB THR 34 -9.543 1.472 -5.524 223 HG1 THR 34 HG1 THR 34 -10.668 3.799 -6.694 224 HG21 THR 34 HG21 THR 34 -11.599 3.509 -4.578 225 HG22 THR 34 HG22 THR 34 -11.113 2.057 -3.697 226 HG23 THR 34 HG23 THR 34 -11.952 1.912 -5.243 227 H TYR 35 H TYR 35 -6.621 2.429 -3.650 228 HA TYR 35 HA TYR 35 -4.886 2.932 -5.978 229 HB2 TYR 35 HB2 TYR 35 -4.000 3.663 -3.825 230 HB3 TYR 35 HB3 TYR 35 -4.307 2.088 -3.101 231 HD1 TYR 35 HD2 TYR 35 -2.271 3.776 -5.754 232 HD2 TYR 35 HD1 TYR 35 -2.581 0.405 -3.133 233 HE1 TYR 35 HE2 TYR 35 -0.022 3.055 -6.406 234 HE2 TYR 35 HE1 TYR 35 -0.330 -0.312 -3.798 235 HH TYR 35 HH TYR 35 1.215 -0.007 -5.705 236 H THR 36 H THR 36 -4.277 1.242 -7.354 237 HA THR 36 HA THR 36 -5.149 -1.483 -6.770 238 HB THR 36 HB THR 36 -3.596 -0.399 -9.170 239 HG1 THR 36 HG1 THR 36 -6.342 -1.177 -9.042 240 HG21 THR 36 HG21 THR 36 -4.257 -2.502 -10.310 241 HG22 THR 36 HG22 THR 36 -4.966 -3.095 -8.808 242 HG23 THR 36 HG23 THR 36 -3.226 -2.830 -8.911 243 H VAL 37 H VAL 37 -3.927 -2.783 -5.512 244 HA VAL 37 HA VAL 37 -1.112 -2.382 -5.021 245 HB VAL 37 HB VAL 37 -2.913 -4.718 -4.208 246 HG11 VAL 37 HG11 VAL 37 -0.185 -3.921 -3.111 247 HG12 VAL 37 HG12 VAL 37 -0.539 -5.347 -4.091 248 HG13 VAL 37 HG13 VAL 37 -1.219 -5.204 -2.470 249 HG21 VAL 37 HG21 VAL 37 -3.093 -3.606 -2.012 250 HG22 VAL 37 HG22 VAL 37 -3.748 -2.592 -3.298 251 HG23 VAL 37 HG23 VAL 37 -2.157 -2.235 -2.619 252 H THR 38 H THR 38 0.453 -3.070 -6.368 253 HA THR 38 HA THR 38 -0.074 -5.191 -8.360 254 HB THR 38 HB THR 38 1.961 -4.298 -9.524 255 HG1 THR 38 HG1 THR 38 2.937 -3.362 -7.572 256 HG21 THR 38 HG21 THR 38 0.971 -2.165 -10.295 257 HG22 THR 38 HG22 THR 38 -0.136 -2.177 -8.922 258 HG23 THR 38 HG23 THR 38 -0.255 -3.426 -10.164 259 H ILE 39 H ILE 39 0.661 -7.168 -7.838 260 HA ILE 39 HA ILE 39 2.595 -7.566 -5.687 261 HB ILE 39 HB ILE 39 1.134 -9.685 -7.328 262 HG12 ILE 39 HG12 ILE 39 -0.541 -8.252 -6.256 263 HG13 ILE 39 HG13 ILE 39 -0.495 -9.797 -5.421 264 HG21 ILE 39 HG21 ILE 39 2.502 -9.896 -4.617 265 HG22 ILE 39 HG22 ILE 39 3.079 -10.590 -6.134 266 HG23 ILE 39 HG23 ILE 39 1.585 -11.183 -5.406 267 HD11 ILE 39 HD11 ILE 39 0.822 -8.764 -3.617 268 HD12 ILE 39 HD12 ILE 39 -0.730 -7.963 -3.856 269 HD13 ILE 39 HD13 ILE 39 0.746 -7.215 -4.462 270 HA PRO 40 HA PRO 40 5.801 -7.752 -8.973 271 HB2 PRO 40 HB2 PRO 40 7.794 -7.788 -6.786 272 HB3 PRO 40 HB3 PRO 40 7.508 -6.552 -8.012 273 HG2 PRO 40 HG2 PRO 40 6.894 -6.156 -5.392 274 HG3 PRO 40 HG3 PRO 40 5.947 -5.423 -6.707 275 HD2 PRO 40 HD2 PRO 40 5.332 -7.913 -5.092 276 HD3 PRO 40 HD3 PRO 40 4.256 -6.565 -5.533 277 H ASP 41 H ASP 41 7.567 -9.180 -9.607 278 HA ASP 41 HA ASP 41 6.882 -11.926 -9.290 279 HB2 ASP 41 HB2 ASP 41 9.356 -10.709 -10.592 280 HB3 ASP 41 HB3 ASP 41 8.779 -12.359 -10.827 281 H GLY 42 H GLY 42 7.463 -13.284 -7.702 282 HA2 GLY 42 HA2 GLY 42 8.971 -14.465 -6.309 283 HA3 GLY 42 HA3 GLY 42 10.101 -13.122 -6.387 284 H TYR 43 H TYR 43 7.288 -11.590 -5.830 285 HA TYR 43 HA TYR 43 7.545 -11.660 -2.880 286 HB2 TYR 43 HB2 TYR 43 6.432 -9.466 -4.697 287 HB3 TYR 43 HB3 TYR 43 6.514 -9.389 -2.938 288 HD1 TYR 43 HD2 TYR 43 8.708 -9.676 -5.983 289 HD2 TYR 43 HD1 TYR 43 8.420 -8.461 -1.908 290 HE1 TYR 43 HE2 TYR 43 10.928 -8.647 -6.132 291 HE2 TYR 43 HE1 TYR 43 10.637 -7.434 -2.048 292 HH TYR 43 HH TYR 43 12.223 -6.874 -4.992 293 H GLU 44 H GLU 44 5.740 -12.112 -1.664 294 HA GLU 44 HA GLU 44 3.185 -12.763 -3.049 295 HB2 GLU 44 HB2 GLU 44 4.384 -14.057 -0.553 296 HB3 GLU 44 HB3 GLU 44 2.835 -14.474 -1.273 297 HG2 GLU 44 HG2 GLU 44 5.575 -14.900 -2.499 298 HG3 GLU 44 HG3 GLU 44 4.494 -16.144 -1.871 299 H TYR 45 H TYR 45 1.337 -11.779 -2.295 300 HA TYR 45 HA TYR 45 1.442 -9.647 -0.431 301 HB2 TYR 45 HB2 TYR 45 -0.247 -9.649 -2.195 302 HB3 TYR 45 HB3 TYR 45 -0.965 -11.130 -1.574 303 HD1 TYR 45 HD2 TYR 45 -0.286 -7.552 -0.607 304 HD2 TYR 45 HD1 TYR 45 -2.755 -10.997 0.003 305 HE1 TYR 45 HE2 TYR 45 -1.756 -6.248 0.869 306 HE2 TYR 45 HE1 TYR 45 -4.207 -9.692 1.480 307 HH TYR 45 HH TYR 45 -4.082 -7.712 2.888 308 H VAL 46 H VAL 46 1.705 -9.838 1.699 309 HA VAL 46 HA VAL 46 0.748 -12.202 3.171 310 HB VAL 46 HB VAL 46 2.589 -9.945 4.087 311 HG11 VAL 46 HG11 VAL 46 3.157 -11.413 6.003 312 HG12 VAL 46 HG12 VAL 46 1.937 -12.577 5.476 313 HG13 VAL 46 HG13 VAL 46 1.449 -10.967 6.008 314 HG21 VAL 46 HG21 VAL 46 4.419 -11.594 3.848 315 HG22 VAL 46 HG22 VAL 46 3.619 -11.277 2.307 316 HG23 VAL 46 HG23 VAL 46 3.276 -12.768 3.189 317 H GLY 47 H GLY 47 0.640 -8.630 3.388 318 HA2 GLY 47 HA2 GLY 47 -2.074 -8.535 4.302 319 HA3 GLY 47 HA3 GLY 47 -0.961 -8.320 5.650 320 H THR 48 H THR 48 -2.376 -6.249 5.559 321 HA THR 48 HA THR 48 -0.767 -4.135 4.253 322 HB THR 48 HB THR 48 -3.808 -4.358 4.108 323 HG1 THR 48 HG1 THR 48 -3.173 -5.214 2.278 324 HG21 THR 48 HG21 THR 48 -3.825 -2.139 2.982 325 HG22 THR 48 HG22 THR 48 -2.113 -1.938 3.359 326 HG23 THR 48 HG23 THR 48 -3.302 -2.006 4.662 327 H ASP 49 H ASP 49 -0.555 -2.296 5.424 328 HA ASP 49 HA ASP 49 -1.772 -2.081 8.120 329 HB2 ASP 49 HB2 ASP 49 0.589 -2.764 8.300 330 HB3 ASP 49 HB3 ASP 49 1.088 -1.456 7.233 331 H GLY 50 H GLY 50 -2.216 0.085 8.840 332 HA2 GLY 50 HA2 GLY 50 -2.425 2.397 8.681 333 HA3 GLY 50 HA3 GLY 50 -1.717 2.364 7.076 334 H GLY 51 H GLY 51 -3.173 1.429 5.315 335 HA2 GLY 51 HA2 GLY 51 -5.760 2.802 5.466 336 HA3 GLY 51 HA3 GLY 51 -4.994 2.140 4.033 337 H VAL 52 H VAL 52 -7.522 1.676 4.012 338 HA VAL 52 HA VAL 52 -8.190 -0.883 5.350 339 HB VAL 52 HB VAL 52 -9.994 0.964 3.701 340 HG11 VAL 52 HG11 VAL 52 -11.871 -0.379 4.610 341 HG12 VAL 52 HG12 VAL 52 -10.720 -1.464 5.394 342 HG13 VAL 52 HG13 VAL 52 -10.780 -1.364 3.633 343 HG21 VAL 52 HG21 VAL 52 -9.293 2.046 5.799 344 HG22 VAL 52 HG22 VAL 52 -9.835 0.645 6.725 345 HG23 VAL 52 HG23 VAL 52 -11.009 1.634 5.851 346 H VAL 53 H VAL 53 -7.454 -2.624 4.187 347 HA VAL 53 HA VAL 53 -7.150 -2.511 1.304 348 HB VAL 53 HB VAL 53 -5.485 -3.676 2.773 349 HG11 VAL 53 HG11 VAL 53 -6.990 -4.771 4.364 350 HG12 VAL 53 HG12 VAL 53 -5.917 -5.949 3.606 351 HG13 VAL 53 HG13 VAL 53 -7.602 -5.829 3.090 352 HG21 VAL 53 HG21 VAL 53 -5.073 -5.571 1.254 353 HG22 VAL 53 HG22 VAL 53 -5.546 -4.129 0.358 354 HG23 VAL 53 HG23 VAL 53 -6.712 -5.429 0.611 355 H SER 54 H SER 54 -8.249 -3.732 -0.242 356 HA SER 54 HA SER 54 -10.943 -4.564 0.165 357 HB2 SER 54 HB2 SER 54 -10.147 -3.816 -2.057 358 HB3 SER 54 HB3 SER 54 -9.058 -5.198 -2.151 359 HG SER 54 HG SER 54 -11.199 -5.332 -3.245 360 H SER 55 H SER 55 -11.774 -6.780 -0.264 361 HA SER 55 HA SER 55 -10.851 -8.625 1.621 362 HB2 SER 55 HB2 SER 55 -12.491 -10.208 0.563 363 HB3 SER 55 HB3 SER 55 -13.170 -8.606 0.857 364 HG SER 55 HG SER 55 -12.476 -9.835 -1.569 365 H ASP 56 H ASP 56 -10.188 -8.489 -1.856 366 HA ASP 56 HA ASP 56 -8.774 -11.048 -1.932 367 HB2 ASP 56 HB2 ASP 56 -8.998 -8.892 -4.079 368 HB3 ASP 56 HB3 ASP 56 -8.447 -10.549 -4.318 369 H GLY 57 H GLY 57 -7.905 -7.829 -1.154 370 HA2 GLY 57 HA2 GLY 57 -5.900 -6.751 -0.823 371 HA3 GLY 57 HA3 GLY 57 -5.070 -8.264 -1.139 372 H LYS 58 H LYS 58 -7.208 -7.212 -3.650 373 HA LYS 58 HA LYS 58 -5.018 -6.738 -5.489 374 HB2 LYS 58 HB2 LYS 58 -6.724 -6.543 -7.232 375 HB3 LYS 58 HB3 LYS 58 -7.055 -7.956 -6.240 376 HG2 LYS 58 HG2 LYS 58 -8.943 -6.932 -5.207 377 HG3 LYS 58 HG3 LYS 58 -8.474 -5.323 -5.761 378 HD2 LYS 58 HD2 LYS 58 -10.342 -6.045 -7.102 379 HD3 LYS 58 HD3 LYS 58 -8.907 -6.063 -8.125 380 HE2 LYS 58 HE2 LYS 58 -10.124 -8.044 -8.645 381 HE3 LYS 58 HE3 LYS 58 -8.764 -8.572 -7.653 382 HZ1 LYS 58 HZ1 LYS 58 -11.574 -8.190 -6.764 383 HZ2 LYS 58 HZ2 LYS 58 -10.297 -8.572 -5.733 384 HZ3 LYS 58 HZ3 LYS 58 -10.758 -9.663 -6.938 385 H THR 59 H THR 59 -7.166 -4.782 -3.593 386 HA THR 59 HA THR 59 -5.935 -2.271 -4.526 387 HB THR 59 HB THR 59 -8.212 -1.125 -4.437 388 HG1 THR 59 HG1 THR 59 -10.049 -2.518 -4.627 389 HG21 THR 59 HG21 THR 59 -7.212 -1.686 -6.636 390 HG22 THR 59 HG22 THR 59 -8.973 -1.806 -6.668 391 HG23 THR 59 HG23 THR 59 -7.991 -3.270 -6.582 392 H VAL 60 H VAL 60 -6.250 -0.473 -3.001 393 HA VAL 60 HA VAL 60 -7.230 -1.140 -0.275 394 HB VAL 60 HB VAL 60 -4.688 0.458 -0.920 395 HG11 VAL 60 HG11 VAL 60 -6.011 0.029 1.797 396 HG12 VAL 60 HG12 VAL 60 -5.889 1.560 0.926 397 HG13 VAL 60 HG13 VAL 60 -4.432 0.777 1.534 398 HG21 VAL 60 HG21 VAL 60 -3.500 -1.247 0.392 399 HG22 VAL 60 HG22 VAL 60 -4.364 -1.996 -0.949 400 HG23 VAL 60 HG23 VAL 60 -5.014 -2.108 0.687 401 H THR 61 H THR 61 -8.836 0.248 0.349 402 HA THR 61 HA THR 61 -9.350 2.767 -0.966 403 HB THR 61 HB THR 61 -10.609 1.543 1.538 404 HG1 THR 61 HG1 THR 61 -12.262 0.919 0.108 405 HG21 THR 61 HG21 THR 61 -11.582 3.879 -0.166 406 HG22 THR 61 HG22 THR 61 -10.962 3.996 1.484 407 HG23 THR 61 HG23 THR 61 -12.471 3.139 1.165 408 H ILE 62 H ILE 62 -7.865 4.323 -0.597 409 HA ILE 62 HA ILE 62 -6.745 4.868 2.092 410 HB ILE 62 HB ILE 62 -6.029 6.210 -0.554 411 HG12 ILE 62 HG12 ILE 62 -4.596 3.860 0.771 412 HG13 ILE 62 HG13 ILE 62 -5.590 3.753 -0.677 413 HG21 ILE 62 HG21 ILE 62 -3.952 6.899 0.618 414 HG22 ILE 62 HG22 ILE 62 -4.523 6.121 2.095 415 HG23 ILE 62 HG23 ILE 62 -5.388 7.512 1.442 416 HD11 ILE 62 HD11 ILE 62 -3.033 5.325 -0.422 417 HD12 ILE 62 HD12 ILE 62 -4.026 5.172 -1.874 418 HD13 ILE 62 HD13 ILE 62 -3.224 3.755 -1.200 419 H THR 63 H THR 63 -7.475 6.646 3.262 420 HA THR 63 HA THR 63 -8.986 8.751 1.800 421 HB THR 63 HB THR 63 -9.517 7.982 4.709 422 HG1 THR 63 HG1 THR 63 -10.492 6.920 2.332 423 HG21 THR 63 HG21 THR 63 -10.098 10.327 4.115 424 HG22 THR 63 HG22 THR 63 -11.552 9.370 4.410 425 HG23 THR 63 HG23 THR 63 -11.062 9.741 2.752 426 H PHE 64 H PHE 64 -8.331 10.820 2.128 427 HA PHE 64 HA PHE 64 -5.595 11.097 2.935 428 HB2 PHE 64 HB2 PHE 64 -7.532 13.222 1.909 429 HB3 PHE 64 HB3 PHE 64 -5.775 13.367 1.976 430 HD1 PHE 64 HD1 PHE 64 -8.612 11.761 0.207 431 HD2 PHE 64 HD2 PHE 64 -4.363 12.201 0.345 432 HE1 PHE 64 HE1 PHE 64 -8.433 10.751 -2.023 433 HE2 PHE 64 HE2 PHE 64 -4.190 11.200 -1.888 434 HZ PHE 64 HZ PHE 64 -6.221 10.471 -3.077 435 H ALA 65 H ALA 65 -4.948 11.482 4.970 436 HA ALA 65 HA ALA 65 -6.172 13.626 6.541 437 HB1 ALA 65 HB1 ALA 65 -6.385 12.265 8.589 438 HB2 ALA 65 HB2 ALA 65 -5.907 10.822 7.690 439 HB3 ALA 65 HB3 ALA 65 -7.417 11.644 7.299 440 H ALA 66 H ALA 66 -4.524 14.909 7.026 441 HA ALA 66 HA ALA 66 -1.777 14.183 6.843 442 HB1 ALA 66 HB1 ALA 66 -3.011 16.719 7.959 443 HB2 ALA 66 HB2 ALA 66 -2.649 16.411 6.259 444 HB3 ALA 66 HB3 ALA 66 -1.336 16.518 7.432 445 H ASP 67 H ASP 67 -3.762 13.413 9.361 446 HA ASP 67 HA ASP 67 -1.820 13.762 11.533 447 HB2 ASP 67 HB2 ASP 67 -4.585 12.487 11.487 448 HB3 ASP 67 HB3 ASP 67 -3.617 12.760 12.933 449 H ASP 68 H ASP 68 -0.768 12.302 9.546 450 HA ASP 68 HA ASP 68 0.323 10.442 8.907 451 HB2 ASP 68 HB2 ASP 68 0.106 9.684 11.851 452 HB3 ASP 68 HB3 ASP 68 1.250 8.996 10.701 453 H SER 69 H SER 69 -2.665 10.323 8.848 454 HA SER 69 HA SER 69 -3.121 7.395 8.910 455 HB2 SER 69 HB2 SER 69 -4.816 8.782 10.057 456 HB3 SER 69 HB3 SER 69 -5.103 9.686 8.573 457 HG SER 69 HG SER 69 -5.395 6.888 8.528 458 H ASP 70 H ASP 70 -2.207 9.807 6.758 459 HA ASP 70 HA ASP 70 -3.557 8.947 4.361 460 HB2 ASP 70 HB2 ASP 70 -2.111 10.605 3.247 461 HB3 ASP 70 HB3 ASP 70 -2.846 11.282 4.695 462 H ASN 71 H ASN 71 -0.583 8.050 5.981 463 HA ASN 71 HA ASN 71 0.598 6.782 3.645 464 HB2 ASN 71 HB2 ASN 71 2.470 6.175 5.170 465 HB3 ASN 71 HB3 ASN 71 2.119 7.898 5.163 466 HD21 ASN 71 HD21 ASN 71 1.176 8.824 7.029 467 HD22 ASN 71 HD22 ASN 71 1.228 8.025 8.559 468 H VAL 72 H VAL 72 0.357 4.755 3.052 469 HA VAL 72 HA VAL 72 -0.861 2.711 4.825 470 HB VAL 72 HB VAL 72 -1.087 2.945 1.780 471 HG11 VAL 72 HG11 VAL 72 -2.769 1.139 1.940 472 HG12 VAL 72 HG12 VAL 72 -2.467 1.001 3.675 473 HG13 VAL 72 HG13 VAL 72 -1.190 0.606 2.521 474 HG21 VAL 72 HG21 VAL 72 -2.372 4.731 2.853 475 HG22 VAL 72 HG22 VAL 72 -3.183 3.562 3.897 476 HG23 VAL 72 HG23 VAL 72 -3.467 3.535 2.155 477 H VAL 73 H VAL 73 0.507 1.020 5.263 478 HA VAL 73 HA VAL 73 2.929 0.647 3.602 479 HB VAL 73 HB VAL 73 2.433 -0.242 6.487 480 HG11 VAL 73 HG11 VAL 73 4.870 -0.671 6.564 481 HG12 VAL 73 HG12 VAL 73 5.003 -0.251 4.854 482 HG13 VAL 73 HG13 VAL 73 4.075 -1.669 5.344 483 HG21 VAL 73 HG21 VAL 73 3.939 1.601 7.159 484 HG22 VAL 73 HG22 VAL 73 2.508 2.218 6.331 485 HG23 VAL 73 HG23 VAL 73 4.052 2.134 5.479 486 H ILE 74 H ILE 74 2.615 -0.982 2.123 487 HA ILE 74 HA ILE 74 0.816 -3.241 2.655 488 HB ILE 74 HB ILE 74 2.597 -2.806 0.198 489 HG12 ILE 74 HG12 ILE 74 1.125 -0.833 0.455 490 HG13 ILE 74 HG13 ILE 74 0.645 -1.787 -0.940 491 HG21 ILE 74 HG21 ILE 74 0.096 -4.515 0.560 492 HG22 ILE 74 HG22 ILE 74 1.751 -5.105 0.398 493 HG23 ILE 74 HG23 ILE 74 0.972 -4.290 -0.958 494 HD11 ILE 74 HD11 ILE 74 -1.281 -0.947 0.269 495 HD12 ILE 74 HD12 ILE 74 -0.738 -1.748 1.741 496 HD13 ILE 74 HD13 ILE 74 -1.230 -2.708 0.344 497 H HIS 75 H HIS 75 1.528 -5.428 2.887 498 HA HIS 75 HA HIS 75 4.413 -5.795 3.517 499 HB2 HIS 75 HB2 HIS 75 1.951 -7.092 4.749 500 HB3 HIS 75 HB3 HIS 75 3.591 -7.676 5.031 501 HD1 HIS 75 HD1 HIS 75 4.799 -6.637 6.943 502 HD2 HIS 75 HD2 HIS 75 1.610 -4.282 5.694 503 HE1 HIS 75 HE1 HIS 75 4.662 -4.759 8.591 504 HE2 HIS 75 HE2 HIS 75 2.567 -3.532 7.974 505 H LEU 76 H LEU 76 5.532 -7.378 2.563 506 HA LEU 76 HA LEU 76 4.242 -9.361 0.803 507 HB2 LEU 76 HB2 LEU 76 6.577 -7.554 0.041 508 HB3 LEU 76 HB3 LEU 76 6.018 -8.916 -0.920 509 HG LEU 76 HG LEU 76 4.411 -6.392 -0.340 510 HD11 LEU 76 HD11 LEU 76 4.707 -5.881 -2.721 511 HD12 LEU 76 HD12 LEU 76 5.746 -7.296 -2.907 512 HD13 LEU 76 HD13 LEU 76 6.254 -5.954 -1.878 513 HD21 LEU 76 HD21 LEU 76 2.937 -8.353 -0.561 514 HD22 LEU 76 HD22 LEU 76 3.690 -8.758 -2.108 515 HD23 LEU 76 HD23 LEU 76 2.761 -7.266 -1.942 516 H LYS 77 H LYS 77 5.895 -11.053 0.062 517 HA LYS 77 HA LYS 77 8.115 -11.514 1.946 518 HB2 LYS 77 HB2 LYS 77 6.150 -12.538 3.016 519 HB3 LYS 77 HB3 LYS 77 5.805 -13.470 1.564 520 HG2 LYS 77 HG2 LYS 77 7.739 -14.850 1.876 521 HG3 LYS 77 HG3 LYS 77 8.391 -13.776 3.118 522 HD2 LYS 77 HD2 LYS 77 6.422 -14.352 4.573 523 HD3 LYS 77 HD3 LYS 77 5.910 -15.528 3.356 524 HE2 LYS 77 HE2 LYS 77 7.916 -16.840 3.693 525 HE3 LYS 77 HE3 LYS 77 8.617 -15.596 4.733 526 HZ1 LYS 77 HZ1 LYS 77 7.751 -17.344 6.081 527 HZ2 LYS 77 HZ2 LYS 77 6.241 -17.273 5.326 528 HZ3 LYS 77 HZ3 LYS 77 6.762 -15.987 6.291 529 H HIS 78 H HIS 78 9.756 -12.822 1.170 530 HA HIS 78 HA HIS 78 9.829 -13.285 -1.714 531 HB2 HIS 78 HB2 HIS 78 11.980 -13.790 0.388 532 HB3 HIS 78 HB3 HIS 78 12.209 -13.777 -1.360 533 HD1 HIS 78 HD1 HIS 78 13.446 -11.835 0.991 534 HD2 HIS 78 HD2 HIS 78 10.633 -10.871 -1.907 535 HE1 HIS 78 HE1 HIS 78 13.650 -9.363 0.641 536 HE2 HIS 78 HE2 HIS 78 11.769 -8.789 -0.914 537 H GLY 79 H GLY 79 9.430 -15.213 -2.648 538 HA2 GLY 79 HA2 GLY 79 9.428 -17.532 -2.945 539 HA3 GLY 79 HA3 GLY 79 9.844 -17.756 -1.258 540 H LEU 80 H LEU 80 7.592 -18.656 -3.289 541 HA LEU 80 HA LEU 80 5.072 -18.248 -2.314 542 HB2 LEU 80 HB2 LEU 80 6.293 -20.897 -3.174 543 HB3 LEU 80 HB3 LEU 80 4.568 -20.629 -2.986 544 HG LEU 80 HG LEU 80 6.340 -19.192 -5.011 545 HD11 LEU 80 HD11 LEU 80 5.201 -20.528 -6.719 546 HD12 LEU 80 HD12 LEU 80 4.326 -21.413 -5.465 547 HD13 LEU 80 HD13 LEU 80 6.080 -21.556 -5.588 548 HD21 LEU 80 HD21 LEU 80 4.441 -17.803 -4.325 549 HD22 LEU 80 HD22 LEU 80 3.323 -19.122 -4.675 550 HD23 LEU 80 HD23 LEU 80 4.237 -18.364 -5.983 551 H GLU 81 H GLU 81 4.287 -18.243 -0.299 552 HA GLU 81 HA GLU 81 5.489 -19.162 2.030 553 HB2 GLU 81 HB2 GLU 81 3.769 -17.421 2.022 554 HB3 GLU 81 HB3 GLU 81 2.554 -18.574 1.485 555 HG2 GLU 81 HG2 GLU 81 2.204 -18.129 3.827 556 HG3 GLU 81 HG3 GLU 81 2.771 -19.783 3.653 557 H HIS 82 H HIS 82 3.019 -20.838 0.060 558 HA HIS 82 HA HIS 82 2.481 -22.974 1.829 559 HB2 HIS 82 HB2 HIS 82 1.059 -22.346 -0.139 560 HB3 HIS 82 HB3 HIS 82 2.279 -23.013 -1.216 561 HD1 HIS 82 HD1 HIS 82 -0.419 -24.018 1.180 562 HD2 HIS 82 HD2 HIS 82 2.314 -25.855 -1.352 563 HE1 HIS 82 HE1 HIS 82 -1.132 -26.414 1.035 564 HE2 HIS 82 HE2 HIS 82 0.635 -27.530 -0.348 565 H HIS 83 H HIS 83 5.036 -22.579 -0.614 566 HA HIS 83 HA HIS 83 6.062 -25.258 -0.506 567 HB2 HIS 83 HB2 HIS 83 7.275 -22.629 -1.450 568 HB3 HIS 83 HB3 HIS 83 8.183 -24.139 -1.480 569 HD1 HIS 83 HD1 HIS 83 8.209 -25.001 -3.804 570 HD2 HIS 83 HD2 HIS 83 4.529 -23.319 -2.866 571 HE1 HIS 83 HE1 HIS 83 6.783 -25.317 -5.837 572 HE2 HIS 83 HE2 HIS 83 4.523 -24.446 -5.184 573 H HIS 84 H HIS 84 7.121 -22.222 1.084 574 HA HIS 84 HA HIS 84 8.073 -21.757 3.098 575 HB2 HIS 84 HB2 HIS 84 6.001 -23.158 3.730 576 HB3 HIS 84 HB3 HIS 84 7.096 -24.501 4.005 577 HD1 HIS 84 HD1 HIS 84 6.094 -21.160 5.403 578 HD2 HIS 84 HD2 HIS 84 8.465 -24.403 6.470 579 HE1 HIS 84 HE1 HIS 84 6.675 -20.812 7.809 580 HE2 HIS 84 HE2 HIS 84 7.928 -22.874 8.477 581 H HIS 85 H HIS 85 9.784 -23.128 1.113 582 HA HIS 85 HA HIS 85 11.363 -25.172 2.342 583 HB2 HIS 85 HB2 HIS 85 11.021 -25.020 -0.109 584 HB3 HIS 85 HB3 HIS 85 11.936 -23.518 -0.150 585 HD1 HIS 85 HD1 HIS 85 14.370 -23.779 -0.655 586 HD2 HIS 85 HD2 HIS 85 12.724 -27.303 0.809 587 HE1 HIS 85 HE1 HIS 85 16.184 -25.498 -0.819 588 HE2 HIS 85 HE2 HIS 85 15.169 -27.620 0.050 589 H HIS 86 H HIS 86 13.027 -24.976 3.728 590 HA HIS 86 HA HIS 86 14.136 -22.412 4.483 591 HB2 HIS 86 HB2 HIS 86 14.845 -25.242 5.371 592 HB3 HIS 86 HB3 HIS 86 15.525 -23.781 6.083 593 HD1 HIS 86 HD1 HIS 86 12.543 -25.978 6.185 594 HD2 HIS 86 HD2 HIS 86 13.645 -22.240 7.629 595 HE1 HIS 86 HE1 HIS 86 10.849 -25.394 7.931 596 HE2 HIS 86 HE2 HIS 86 11.658 -23.246 8.924 597 H HIS 87 H HIS 87 15.221 -21.617 2.655 598 HA HIS 87 HA HIS 87 17.513 -23.003 1.497 599 HB2 HIS 87 HB2 HIS 87 16.154 -21.540 0.060 600 HB3 HIS 87 HB3 HIS 87 16.450 -20.168 1.120 601 HD1 HIS 87 HD1 HIS 87 18.570 -18.819 0.698 602 HD2 HIS 87 HD2 HIS 87 18.462 -22.339 -1.519 603 HE1 HIS 87 HE1 HIS 87 20.471 -18.664 -0.925 604 HE2 HIS 87 HE2 HIS 87 20.326 -20.744 -2.318 Start of MODEL 6 1 H1 MET 1 H1 MET 1 -6.884 22.221 3.320 2 H2 MET 1 H2 MET 1 -6.331 20.770 2.653 3 H3 MET 1 H3 MET 1 -7.788 21.438 2.122 4 HA MET 1 HA MET 1 -6.697 23.291 1.141 5 HB2 MET 1 HB2 MET 1 -3.972 22.089 1.763 6 HB3 MET 1 HB3 MET 1 -4.366 23.732 1.278 7 HG2 MET 1 HG2 MET 1 -4.805 22.478 3.990 8 HG3 MET 1 HG3 MET 1 -3.620 23.715 3.570 9 HE1 MET 1 HE1 MET 1 -4.416 25.188 5.641 10 HE2 MET 1 HE2 MET 1 -5.606 23.959 6.077 11 HE3 MET 1 HE3 MET 1 -6.096 25.646 5.916 12 H ASP 2 H ASP 2 -4.488 20.500 1.050 13 HA ASP 2 HA ASP 2 -5.479 19.191 -1.241 14 HB2 ASP 2 HB2 ASP 2 -3.367 19.722 -2.711 15 HB3 ASP 2 HB3 ASP 2 -4.700 20.866 -2.708 16 H GLU 3 H GLU 3 -5.218 17.376 0.009 17 HA GLU 3 HA GLU 3 -2.854 17.054 1.714 18 HB2 GLU 3 HB2 GLU 3 -5.624 15.799 1.691 19 HB3 GLU 3 HB3 GLU 3 -4.342 15.170 2.721 20 HG2 GLU 3 HG2 GLU 3 -5.840 16.658 3.949 21 HG3 GLU 3 HG3 GLU 3 -4.195 17.275 3.921 22 H ASP 4 H ASP 4 -1.842 14.977 1.989 23 HA ASP 4 HA ASP 4 -1.512 13.513 -0.547 24 HB2 ASP 4 HB2 ASP 4 0.189 13.539 1.986 25 HB3 ASP 4 HB3 ASP 4 0.571 12.633 0.525 26 H ALA 5 H ALA 5 -1.283 11.231 -0.573 27 HA ALA 5 HA ALA 5 -2.039 9.646 1.785 28 HB1 ALA 5 HB1 ALA 5 -3.246 9.203 -0.974 29 HB2 ALA 5 HB2 ALA 5 -4.107 9.777 0.456 30 HB3 ALA 5 HB3 ALA 5 -3.451 8.139 0.422 31 H THR 6 H THR 6 -0.439 8.209 2.120 32 HA THR 6 HA THR 6 1.633 7.897 0.022 33 HB THR 6 HB THR 6 1.766 7.826 3.057 34 HG1 THR 6 HG1 THR 6 2.837 9.609 1.108 35 HG21 THR 6 HG21 THR 6 4.076 7.432 1.149 36 HG22 THR 6 HG22 THR 6 3.404 6.192 2.206 37 HG23 THR 6 HG23 THR 6 4.198 7.604 2.901 38 H ILE 7 H ILE 7 1.897 5.929 -0.861 39 HA ILE 7 HA ILE 7 1.038 3.473 0.570 40 HB ILE 7 HB ILE 7 1.516 3.844 -2.436 41 HG12 ILE 7 HG12 ILE 7 -0.998 3.174 -2.551 42 HG13 ILE 7 HG13 ILE 7 -1.067 3.558 -0.839 43 HG21 ILE 7 HG21 ILE 7 0.622 1.348 -0.931 44 HG22 ILE 7 HG22 ILE 7 2.183 1.582 -1.722 45 HG23 ILE 7 HG23 ILE 7 0.711 1.509 -2.686 46 HD11 ILE 7 HD11 ILE 7 -0.401 5.468 -3.077 47 HD12 ILE 7 HD12 ILE 7 -0.460 5.882 -1.362 48 HD13 ILE 7 HD13 ILE 7 -1.925 5.365 -2.195 49 H THR 8 H THR 8 2.647 2.122 1.282 50 HA THR 8 HA THR 8 5.350 2.303 0.052 51 HB THR 8 HB THR 8 4.805 2.128 3.051 52 HG1 THR 8 HG1 THR 8 5.273 4.262 1.314 53 HG21 THR 8 HG21 THR 8 6.901 0.958 2.409 54 HG22 THR 8 HG22 THR 8 7.251 2.435 3.310 55 HG23 THR 8 HG23 THR 8 7.452 2.403 1.556 56 H TYR 9 H TYR 9 5.605 0.370 -0.929 57 HA TYR 9 HA TYR 9 4.790 -2.160 0.239 58 HB2 TYR 9 HB2 TYR 9 6.553 -1.508 -2.172 59 HB3 TYR 9 HB3 TYR 9 6.108 -3.144 -1.694 60 HD1 TYR 9 HD2 TYR 9 4.705 0.108 -2.912 61 HD2 TYR 9 HD1 TYR 9 3.970 -4.067 -2.323 62 HE1 TYR 9 HE2 TYR 9 2.637 0.289 -4.216 63 HE2 TYR 9 HE1 TYR 9 1.896 -3.881 -3.629 64 HH TYR 9 HH TYR 9 1.100 -1.038 -5.431 65 H VAL 10 H VAL 10 5.957 -3.335 1.661 66 HA VAL 10 HA VAL 10 8.898 -3.079 1.856 67 HB VAL 10 HB VAL 10 8.798 -3.263 4.343 68 HG11 VAL 10 HG11 VAL 10 8.125 -0.949 4.866 69 HG12 VAL 10 HG12 VAL 10 7.299 -0.829 3.308 70 HG13 VAL 10 HG13 VAL 10 9.053 -1.026 3.365 71 HG21 VAL 10 HG21 VAL 10 5.790 -2.894 4.037 72 HG22 VAL 10 HG22 VAL 10 6.672 -2.863 5.566 73 HG23 VAL 10 HG23 VAL 10 6.613 -4.347 4.616 74 H ASP 11 H ASP 11 9.951 -5.064 2.705 75 HA ASP 11 HA ASP 11 8.250 -7.437 2.253 76 HB2 ASP 11 HB2 ASP 11 10.059 -8.618 1.361 77 HB3 ASP 11 HB3 ASP 11 10.265 -6.998 0.719 78 H ASP 12 H ASP 12 7.695 -8.605 3.881 79 HA ASP 12 HA ASP 12 8.292 -8.576 6.539 80 HB2 ASP 12 HB2 ASP 12 6.377 -9.726 5.557 81 HB3 ASP 12 HB3 ASP 12 7.424 -10.862 4.720 82 H ASP 13 H ASP 13 10.080 -10.296 3.996 83 HA ASP 13 HA ASP 13 11.352 -12.251 5.597 84 HB2 ASP 13 HB2 ASP 13 10.998 -12.476 3.169 85 HB3 ASP 13 HB3 ASP 13 12.120 -11.157 2.862 86 H LYS 14 H LYS 14 12.300 -8.925 4.811 87 HA LYS 14 HA LYS 14 14.925 -9.290 6.154 88 HB2 LYS 14 HB2 LYS 14 14.290 -8.162 3.540 89 HB3 LYS 14 HB3 LYS 14 14.963 -6.891 4.535 90 HG2 LYS 14 HG2 LYS 14 16.696 -7.928 3.198 91 HG3 LYS 14 HG3 LYS 14 16.994 -8.239 4.906 92 HD2 LYS 14 HD2 LYS 14 15.521 -10.335 3.290 93 HD3 LYS 14 HD3 LYS 14 17.258 -10.166 3.061 94 HE2 LYS 14 HE2 LYS 14 17.659 -10.644 5.422 95 HE3 LYS 14 HE3 LYS 14 15.927 -10.678 5.741 96 HZ1 LYS 14 HZ1 LYS 14 16.721 -12.897 5.568 97 HZ2 LYS 14 HZ2 LYS 14 17.464 -12.599 4.087 98 HZ3 LYS 14 HZ3 LYS 14 15.774 -12.590 4.202 99 H GLY 15 H GLY 15 12.369 -8.744 7.411 100 HA2 GLY 15 HA2 GLY 15 11.663 -7.583 9.254 101 HA3 GLY 15 HA3 GLY 15 13.223 -6.784 9.281 102 H GLY 16 H GLY 16 11.079 -6.552 6.516 103 HA2 GLY 16 HA2 GLY 16 9.526 -4.951 5.871 104 HA3 GLY 16 HA3 GLY 16 9.808 -4.066 7.358 105 H ALA 17 H ALA 17 11.855 -5.021 4.528 106 HA ALA 17 HA ALA 17 12.905 -2.263 4.371 107 HB1 ALA 17 HB1 ALA 17 14.552 -4.088 4.401 108 HB2 ALA 17 HB2 ALA 17 14.624 -3.199 2.876 109 HB3 ALA 17 HB3 ALA 17 13.830 -4.775 2.945 110 H GLN 18 H GLN 18 12.683 -0.977 2.545 111 HA GLN 18 HA GLN 18 10.185 -1.075 1.252 112 HB2 GLN 18 HB2 GLN 18 11.163 1.053 1.740 113 HB3 GLN 18 HB3 GLN 18 12.634 0.673 0.854 114 HG2 GLN 18 HG2 GLN 18 11.413 0.806 -1.277 115 HG3 GLN 18 HG3 GLN 18 9.908 1.121 -0.412 116 HE21 GLN 18 HE21 GLN 18 11.669 2.732 -2.341 117 HE22 GLN 18 HE22 GLN 18 11.785 4.271 -1.566 118 H VAL 19 H VAL 19 9.508 -2.025 -0.549 119 HA VAL 19 HA VAL 19 11.359 -3.223 -2.516 120 HB VAL 19 HB VAL 19 8.335 -3.651 -2.235 121 HG11 VAL 19 HG11 VAL 19 9.152 -4.174 -4.488 122 HG12 VAL 19 HG12 VAL 19 8.698 -5.657 -3.650 123 HG13 VAL 19 HG13 VAL 19 10.403 -5.227 -3.822 124 HG21 VAL 19 HG21 VAL 19 8.866 -5.819 -1.153 125 HG22 VAL 19 HG22 VAL 19 9.439 -4.449 -0.200 126 HG23 VAL 19 HG23 VAL 19 10.582 -5.395 -1.157 127 H GLY 20 H GLY 20 11.812 -1.859 -4.184 128 HA2 GLY 20 HA2 GLY 20 11.464 -0.555 -6.070 129 HA3 GLY 20 HA3 GLY 20 9.734 -0.576 -5.757 130 H ASP 21 H ASP 21 8.850 1.318 -5.052 131 HA ASP 21 HA ASP 21 10.323 3.079 -3.262 132 HB2 ASP 21 HB2 ASP 21 9.942 5.125 -4.618 133 HB3 ASP 21 HB3 ASP 21 11.016 3.985 -5.415 134 H ILE 22 H ILE 22 8.854 5.143 -2.845 135 HA ILE 22 HA ILE 22 6.274 4.121 -1.872 136 HB ILE 22 HB ILE 22 7.770 6.711 -1.260 137 HG12 ILE 22 HG12 ILE 22 7.423 4.174 0.412 138 HG13 ILE 22 HG13 ILE 22 8.912 4.701 -0.364 139 HG21 ILE 22 HG21 ILE 22 6.133 7.062 0.564 140 HG22 ILE 22 HG22 ILE 22 5.235 5.638 0.040 141 HG23 ILE 22 HG23 ILE 22 5.344 7.048 -1.013 142 HD11 ILE 22 HD11 ILE 22 7.494 6.089 1.907 143 HD12 ILE 22 HD12 ILE 22 8.956 6.670 1.109 144 HD13 ILE 22 HD13 ILE 22 8.984 5.150 2.000 145 H VAL 23 H VAL 23 4.350 4.713 -2.753 146 HA VAL 23 HA VAL 23 4.269 6.675 -4.973 147 HB VAL 23 HB VAL 23 2.259 4.486 -4.218 148 HG11 VAL 23 HG11 VAL 23 1.148 6.351 -5.376 149 HG12 VAL 23 HG12 VAL 23 1.195 4.922 -6.407 150 HG13 VAL 23 HG13 VAL 23 2.315 6.255 -6.699 151 HG21 VAL 23 HG21 VAL 23 3.075 3.252 -6.197 152 HG22 VAL 23 HG22 VAL 23 4.366 3.506 -5.023 153 HG23 VAL 23 HG23 VAL 23 4.296 4.498 -6.480 154 H THR 24 H THR 24 3.857 8.668 -4.005 155 HA THR 24 HA THR 24 1.641 8.877 -2.027 156 HB THR 24 HB THR 24 3.796 10.953 -2.604 157 HG1 THR 24 HG1 THR 24 4.986 9.574 -1.482 158 HG21 THR 24 HG21 THR 24 3.076 11.940 -0.438 159 HG22 THR 24 HG22 THR 24 1.785 10.740 -0.329 160 HG23 THR 24 HG23 THR 24 1.768 11.942 -1.623 161 H VAL 25 H VAL 25 -0.232 9.589 -2.843 162 HA VAL 25 HA VAL 25 -0.270 11.306 -5.258 163 HB VAL 25 HB VAL 25 -2.634 10.462 -5.594 164 HG11 VAL 25 HG11 VAL 25 -0.781 9.395 -6.811 165 HG12 VAL 25 HG12 VAL 25 -2.007 8.199 -6.395 166 HG13 VAL 25 HG13 VAL 25 -0.506 8.283 -5.466 167 HG21 VAL 25 HG21 VAL 25 -1.981 8.537 -3.311 168 HG22 VAL 25 HG22 VAL 25 -3.427 8.489 -4.325 169 HG23 VAL 25 HG23 VAL 25 -3.156 9.852 -3.243 170 H THR 26 H THR 26 -2.004 12.982 -5.370 171 HA THR 26 HA THR 26 -2.460 14.242 -2.705 172 HB THR 26 HB THR 26 -2.419 16.453 -3.819 173 HG1 THR 26 HG1 THR 26 -2.037 16.659 -5.986 174 HG21 THR 26 HG21 THR 26 -0.282 15.552 -2.934 175 HG22 THR 26 HG22 THR 26 -0.014 16.565 -4.353 176 HG23 THR 26 HG23 THR 26 0.052 14.807 -4.501 177 H GLY 27 H GLY 27 -4.381 15.445 -2.355 178 HA2 GLY 27 HA2 GLY 27 -6.650 15.497 -4.073 179 HA3 GLY 27 HA3 GLY 27 -6.750 14.112 -2.986 180 H LYS 28 H LYS 28 -8.342 14.709 -1.549 181 HA LYS 28 HA LYS 28 -8.031 17.229 0.009 182 HB2 LYS 28 HB2 LYS 28 -10.688 16.151 -1.051 183 HB3 LYS 28 HB3 LYS 28 -10.473 17.610 -0.094 184 HG2 LYS 28 HG2 LYS 28 -9.297 17.252 -2.864 185 HG3 LYS 28 HG3 LYS 28 -10.899 17.929 -2.577 186 HD2 LYS 28 HD2 LYS 28 -8.320 19.102 -1.455 187 HD3 LYS 28 HD3 LYS 28 -9.097 19.643 -2.944 188 HE2 LYS 28 HE2 LYS 28 -11.145 20.203 -1.616 189 HE3 LYS 28 HE3 LYS 28 -10.261 19.789 -0.144 190 HZ1 LYS 28 HZ1 LYS 28 -8.643 21.529 -0.736 191 HZ2 LYS 28 HZ2 LYS 28 -10.198 22.147 -0.502 192 HZ3 LYS 28 HZ3 LYS 28 -9.592 21.952 -2.068 193 H THR 29 H THR 29 -8.667 17.079 2.199 194 HA THR 29 HA THR 29 -8.692 14.788 3.706 195 HB THR 29 HB THR 29 -10.083 16.046 5.442 196 HG1 THR 29 HG1 THR 29 -10.991 17.921 4.935 197 HG21 THR 29 HG21 THR 29 -7.637 16.269 5.420 198 HG22 THR 29 HG22 THR 29 -8.404 17.791 5.874 199 HG23 THR 29 HG23 THR 29 -7.754 17.584 4.248 200 H ASP 30 H ASP 30 -11.604 16.297 2.295 201 HA ASP 30 HA ASP 30 -13.456 14.425 3.453 202 HB2 ASP 30 HB2 ASP 30 -13.956 16.850 2.880 203 HB3 ASP 30 HB3 ASP 30 -13.985 16.390 1.182 204 H ASP 31 H ASP 31 -11.641 14.527 0.477 205 HA ASP 31 HA ASP 31 -13.304 12.547 -0.899 206 HB2 ASP 31 HB2 ASP 31 -10.825 14.102 -1.746 207 HB3 ASP 31 HB3 ASP 31 -11.570 12.863 -2.758 208 H SER 32 H SER 32 -12.532 10.578 -1.686 209 HA SER 32 HA SER 32 -10.109 9.373 -0.493 210 HB2 SER 32 HB2 SER 32 -11.987 8.771 1.005 211 HB3 SER 32 HB3 SER 32 -12.914 8.165 -0.367 212 HG SER 32 HG SER 32 -11.079 6.892 1.127 213 H THR 33 H THR 33 -9.705 7.175 -1.502 214 HA THR 33 HA THR 33 -10.651 6.805 -4.254 215 HB THR 33 HB THR 33 -8.797 8.415 -4.555 216 HG1 THR 33 HG1 THR 33 -8.104 7.358 -6.271 217 HG21 THR 33 HG21 THR 33 -6.450 7.802 -4.040 218 HG22 THR 33 HG22 THR 33 -7.002 6.318 -3.259 219 HG23 THR 33 HG23 THR 33 -7.418 7.888 -2.565 220 H THR 34 H THR 34 -9.904 4.758 -5.216 221 HA THR 34 HA THR 34 -9.006 2.731 -3.224 222 HB THR 34 HB THR 34 -10.038 0.994 -4.711 223 HG1 THR 34 HG1 THR 34 -10.070 2.088 -6.692 224 HG21 THR 34 HG21 THR 34 -11.997 3.143 -3.804 225 HG22 THR 34 HG22 THR 34 -11.354 1.839 -2.799 226 HG23 THR 34 HG23 THR 34 -12.406 1.464 -4.168 227 H TYR 35 H TYR 35 -6.954 2.190 -3.473 228 HA TYR 35 HA TYR 35 -5.539 2.450 -6.043 229 HB2 TYR 35 HB2 TYR 35 -4.485 3.629 -4.195 230 HB3 TYR 35 HB3 TYR 35 -4.576 2.212 -3.157 231 HD1 TYR 35 HD2 TYR 35 -2.867 3.606 -6.185 232 HD2 TYR 35 HD1 TYR 35 -2.814 0.554 -3.167 233 HE1 TYR 35 HE2 TYR 35 -0.616 2.941 -6.901 234 HE2 TYR 35 HE1 TYR 35 -0.558 -0.102 -3.895 235 HH TYR 35 HH TYR 35 1.335 1.805 -6.046 236 H THR 36 H THR 36 -5.160 0.602 -7.219 237 HA THR 36 HA THR 36 -5.740 -2.018 -6.168 238 HB THR 36 HB THR 36 -6.233 -1.656 -8.502 239 HG1 THR 36 HG1 THR 36 -5.721 -3.659 -8.795 240 HG21 THR 36 HG21 THR 36 -4.568 0.080 -9.068 241 HG22 THR 36 HG22 THR 36 -4.514 -1.249 -10.227 242 HG23 THR 36 HG23 THR 36 -3.273 -1.119 -8.981 243 H VAL 37 H VAL 37 -4.391 -3.428 -5.208 244 HA VAL 37 HA VAL 37 -1.695 -2.672 -4.510 245 HB VAL 37 HB VAL 37 -3.185 -5.286 -3.933 246 HG11 VAL 37 HG11 VAL 37 -0.652 -4.183 -2.644 247 HG12 VAL 37 HG12 VAL 37 -0.753 -5.582 -3.716 248 HG13 VAL 37 HG13 VAL 37 -1.517 -5.638 -2.127 249 HG21 VAL 37 HG21 VAL 37 -2.878 -2.825 -2.163 250 HG22 VAL 37 HG22 VAL 37 -3.650 -4.343 -1.693 251 HG23 VAL 37 HG23 VAL 37 -4.361 -3.350 -2.964 252 H THR 38 H THR 38 0.161 -3.344 -5.449 253 HA THR 38 HA THR 38 0.003 -5.058 -7.872 254 HB THR 38 HB THR 38 1.943 -2.759 -7.301 255 HG1 THR 38 HG1 THR 38 -0.434 -2.349 -7.776 256 HG21 THR 38 HG21 THR 38 1.470 -4.348 -9.866 257 HG22 THR 38 HG22 THR 38 2.899 -4.475 -8.838 258 HG23 THR 38 HG23 THR 38 2.563 -2.970 -9.691 259 H ILE 39 H ILE 39 0.808 -7.028 -7.373 260 HA ILE 39 HA ILE 39 2.896 -7.404 -5.353 261 HB ILE 39 HB ILE 39 1.373 -9.543 -6.911 262 HG12 ILE 39 HG12 ILE 39 -0.251 -8.183 -5.667 263 HG13 ILE 39 HG13 ILE 39 -0.097 -9.751 -4.890 264 HG21 ILE 39 HG21 ILE 39 2.969 -9.751 -4.328 265 HG22 ILE 39 HG22 ILE 39 3.453 -10.386 -5.902 266 HG23 ILE 39 HG23 ILE 39 2.050 -11.063 -5.072 267 HD11 ILE 39 HD11 ILE 39 -0.273 -7.955 -3.265 268 HD12 ILE 39 HD12 ILE 39 1.151 -7.167 -3.942 269 HD13 ILE 39 HD13 ILE 39 1.304 -8.734 -3.145 270 HA PRO 40 HA PRO 40 5.879 -7.593 -8.872 271 HB2 PRO 40 HB2 PRO 40 7.991 -7.610 -6.785 272 HB3 PRO 40 HB3 PRO 40 7.654 -6.395 -8.023 273 HG2 PRO 40 HG2 PRO 40 7.179 -5.924 -5.392 274 HG3 PRO 40 HG3 PRO 40 6.154 -5.228 -6.669 275 HD2 PRO 40 HD2 PRO 40 5.647 -7.690 -4.972 276 HD3 PRO 40 HD3 PRO 40 4.546 -6.343 -5.353 277 H ASP 41 H ASP 41 7.576 -9.061 -9.583 278 HA ASP 41 HA ASP 41 7.010 -11.800 -9.138 279 HB2 ASP 41 HB2 ASP 41 7.865 -10.943 -11.292 280 HB3 ASP 41 HB3 ASP 41 9.397 -10.522 -10.540 281 H GLY 42 H GLY 42 7.816 -13.248 -7.722 282 HA2 GLY 42 HA2 GLY 42 9.311 -14.324 -6.286 283 HA3 GLY 42 HA3 GLY 42 10.429 -12.978 -6.438 284 H TYR 43 H TYR 43 7.358 -11.791 -5.702 285 HA TYR 43 HA TYR 43 7.825 -11.822 -2.770 286 HB2 TYR 43 HB2 TYR 43 6.590 -9.574 -4.432 287 HB3 TYR 43 HB3 TYR 43 6.751 -9.586 -2.676 288 HD1 TYR 43 HD2 TYR 43 8.666 -9.386 -5.860 289 HD2 TYR 43 HD1 TYR 43 8.864 -9.035 -1.604 290 HE1 TYR 43 HE2 TYR 43 10.900 -8.400 -6.049 291 HE2 TYR 43 HE1 TYR 43 11.105 -8.051 -1.798 292 HH TYR 43 HH TYR 43 12.412 -6.987 -4.762 293 H GLU 44 H GLU 44 6.065 -12.134 -1.449 294 HA GLU 44 HA GLU 44 3.575 -13.191 -2.682 295 HB2 GLU 44 HB2 GLU 44 4.901 -14.211 -0.128 296 HB3 GLU 44 HB3 GLU 44 3.549 -14.937 -0.991 297 HG2 GLU 44 HG2 GLU 44 5.044 -15.541 -2.855 298 HG3 GLU 44 HG3 GLU 44 6.400 -14.768 -2.036 299 H TYR 45 H TYR 45 1.749 -12.120 -1.975 300 HA TYR 45 HA TYR 45 1.834 -9.909 -0.253 301 HB2 TYR 45 HB2 TYR 45 0.122 -10.106 -1.978 302 HB3 TYR 45 HB3 TYR 45 -0.572 -11.515 -1.190 303 HD1 TYR 45 HD2 TYR 45 0.207 -7.890 -0.444 304 HD2 TYR 45 HD1 TYR 45 -2.457 -11.184 0.202 305 HE1 TYR 45 HE2 TYR 45 -1.280 -6.442 0.866 306 HE2 TYR 45 HE1 TYR 45 -3.928 -9.734 1.514 307 HH TYR 45 HH TYR 45 -3.826 -7.695 2.775 308 H VAL 46 H VAL 46 1.730 -9.654 1.894 309 HA VAL 46 HA VAL 46 1.006 -11.874 3.694 310 HB VAL 46 HB VAL 46 2.403 -9.226 4.306 311 HG11 VAL 46 HG11 VAL 46 1.166 -9.966 6.285 312 HG12 VAL 46 HG12 VAL 46 2.898 -10.164 6.554 313 HG13 VAL 46 HG13 VAL 46 1.897 -11.570 6.179 314 HG21 VAL 46 HG21 VAL 46 4.450 -10.557 4.626 315 HG22 VAL 46 HG22 VAL 46 3.823 -10.727 2.984 316 HG23 VAL 46 HG23 VAL 46 3.576 -12.021 4.159 317 H GLY 47 H GLY 47 0.573 -8.314 3.607 318 HA2 GLY 47 HA2 GLY 47 -2.204 -8.287 4.160 319 HA3 GLY 47 HA3 GLY 47 -1.306 -8.146 5.670 320 H THR 48 H THR 48 -2.952 -6.159 4.977 321 HA THR 48 HA THR 48 -1.234 -3.908 4.063 322 HB THR 48 HB THR 48 -4.231 -4.361 3.699 323 HG1 THR 48 HG1 THR 48 -3.306 -5.202 1.955 324 HG21 THR 48 HG21 THR 48 -4.350 -2.154 2.599 325 HG22 THR 48 HG22 THR 48 -2.681 -1.831 3.070 326 HG23 THR 48 HG23 THR 48 -3.931 -1.995 4.306 327 H ASP 49 H ASP 49 -1.024 -2.230 5.460 328 HA ASP 49 HA ASP 49 -2.685 -2.109 7.921 329 HB2 ASP 49 HB2 ASP 49 0.236 -1.369 7.457 330 HB3 ASP 49 HB3 ASP 49 -0.667 -0.814 8.868 331 H GLY 50 H GLY 50 -3.362 -0.055 8.640 332 HA2 GLY 50 HA2 GLY 50 -3.622 2.277 8.556 333 HA3 GLY 50 HA3 GLY 50 -2.909 2.319 6.953 334 H GLY 51 H GLY 51 -4.303 1.119 5.243 335 HA2 GLY 51 HA2 GLY 51 -6.982 2.328 5.313 336 HA3 GLY 51 HA3 GLY 51 -6.144 1.679 3.912 337 H VAL 52 H VAL 52 -8.489 0.916 3.681 338 HA VAL 52 HA VAL 52 -9.016 -1.631 5.125 339 HB VAL 52 HB VAL 52 -10.930 0.070 3.447 340 HG11 VAL 52 HG11 VAL 52 -11.555 -2.300 3.290 341 HG12 VAL 52 HG12 VAL 52 -12.726 -1.436 4.287 342 HG13 VAL 52 HG13 VAL 52 -11.506 -2.459 5.049 343 HG21 VAL 52 HG21 VAL 52 -10.802 -0.320 6.464 344 HG22 VAL 52 HG22 VAL 52 -12.047 0.589 5.599 345 HG23 VAL 52 HG23 VAL 52 -10.373 1.149 5.583 346 H VAL 53 H VAL 53 -8.304 -3.397 4.052 347 HA VAL 53 HA VAL 53 -7.666 -3.285 1.208 348 HB VAL 53 HB VAL 53 -6.077 -4.277 2.895 349 HG11 VAL 53 HG11 VAL 53 -6.419 -6.552 3.758 350 HG12 VAL 53 HG12 VAL 53 -8.035 -6.593 3.047 351 HG13 VAL 53 HG13 VAL 53 -7.672 -5.451 4.342 352 HG21 VAL 53 HG21 VAL 53 -6.914 -6.167 0.662 353 HG22 VAL 53 HG22 VAL 53 -5.360 -6.189 1.500 354 HG23 VAL 53 HG23 VAL 53 -5.807 -4.797 0.516 355 H SER 54 H SER 54 -8.391 -4.780 -0.334 356 HA SER 54 HA SER 54 -11.079 -5.615 -0.429 357 HB2 SER 54 HB2 SER 54 -9.850 -5.193 -2.475 358 HB3 SER 54 HB3 SER 54 -8.623 -6.389 -2.063 359 HG SER 54 HG SER 54 -11.317 -6.808 -2.856 360 H SER 55 H SER 55 -11.915 -7.817 -0.636 361 HA SER 55 HA SER 55 -11.099 -9.659 1.384 362 HB2 SER 55 HB2 SER 55 -12.990 -10.092 -0.971 363 HB3 SER 55 HB3 SER 55 -12.868 -11.135 0.448 364 HG SER 55 HG SER 55 -13.689 -9.513 1.708 365 H ASP 56 H ASP 56 -10.539 -9.477 -2.091 366 HA ASP 56 HA ASP 56 -8.976 -11.952 -2.219 367 HB2 ASP 56 HB2 ASP 56 -9.464 -9.786 -4.318 368 HB3 ASP 56 HB3 ASP 56 -8.682 -11.337 -4.615 369 H GLY 57 H GLY 57 -8.364 -8.747 -1.287 370 HA2 GLY 57 HA2 GLY 57 -6.462 -7.518 -0.870 371 HA3 GLY 57 HA3 GLY 57 -5.509 -8.944 -1.250 372 H LYS 58 H LYS 58 -7.784 -7.690 -3.591 373 HA LYS 58 HA LYS 58 -5.690 -7.281 -5.548 374 HB2 LYS 58 HB2 LYS 58 -7.480 -6.940 -7.163 375 HB3 LYS 58 HB3 LYS 58 -7.874 -8.332 -6.164 376 HG2 LYS 58 HG2 LYS 58 -9.574 -7.128 -4.978 377 HG3 LYS 58 HG3 LYS 58 -9.015 -5.579 -5.610 378 HD2 LYS 58 HD2 LYS 58 -11.018 -6.124 -6.796 379 HD3 LYS 58 HD3 LYS 58 -9.680 -6.360 -7.920 380 HE2 LYS 58 HE2 LYS 58 -11.180 -8.197 -8.226 381 HE3 LYS 58 HE3 LYS 58 -9.792 -8.838 -7.349 382 HZ1 LYS 58 HZ1 LYS 58 -11.918 -9.617 -6.463 383 HZ2 LYS 58 HZ2 LYS 58 -12.367 -8.024 -6.112 384 HZ3 LYS 58 HZ3 LYS 58 -11.058 -8.728 -5.313 385 H THR 59 H THR 59 -7.478 -5.233 -3.407 386 HA THR 59 HA THR 59 -6.201 -2.798 -4.376 387 HB THR 59 HB THR 59 -8.242 -2.880 -5.792 388 HG1 THR 59 HG1 THR 59 -8.408 -0.789 -5.580 389 HG21 THR 59 HG21 THR 59 -9.832 -2.793 -3.195 390 HG22 THR 59 HG22 THR 59 -9.733 -4.176 -4.288 391 HG23 THR 59 HG23 THR 59 -10.499 -2.681 -4.827 392 H VAL 60 H VAL 60 -6.906 -0.897 -2.966 393 HA VAL 60 HA VAL 60 -7.849 -1.540 -0.270 394 HB VAL 60 HB VAL 60 -5.451 -1.885 -0.002 395 HG11 VAL 60 HG11 VAL 60 -4.986 0.847 -1.221 396 HG12 VAL 60 HG12 VAL 60 -4.579 -0.709 -1.946 397 HG13 VAL 60 HG13 VAL 60 -3.744 -0.172 -0.487 398 HG21 VAL 60 HG21 VAL 60 -4.909 -0.232 1.748 399 HG22 VAL 60 HG22 VAL 60 -6.596 -0.733 1.866 400 HG23 VAL 60 HG23 VAL 60 -6.189 0.832 1.159 401 H THR 61 H THR 61 -9.222 0.033 0.430 402 HA THR 61 HA THR 61 -9.595 2.505 -1.044 403 HB THR 61 HB THR 61 -10.978 1.566 1.517 404 HG1 THR 61 HG1 THR 61 -11.199 0.256 -0.520 405 HG21 THR 61 HG21 THR 61 -11.809 3.703 -0.500 406 HG22 THR 61 HG22 THR 61 -11.234 4.013 1.141 407 HG23 THR 61 HG23 THR 61 -12.765 3.172 0.887 408 H ILE 62 H ILE 62 -8.167 4.095 -0.707 409 HA ILE 62 HA ILE 62 -7.057 4.667 1.986 410 HB ILE 62 HB ILE 62 -5.862 5.446 -0.723 411 HG12 ILE 62 HG12 ILE 62 -5.127 3.073 1.056 412 HG13 ILE 62 HG13 ILE 62 -5.926 2.977 -0.507 413 HG21 ILE 62 HG21 ILE 62 -3.786 5.885 0.566 414 HG22 ILE 62 HG22 ILE 62 -4.626 5.473 2.061 415 HG23 ILE 62 HG23 ILE 62 -5.121 6.891 1.136 416 HD11 ILE 62 HD11 ILE 62 -3.912 3.887 -1.569 417 HD12 ILE 62 HD12 ILE 62 -3.612 2.383 -0.701 418 HD13 ILE 62 HD13 ILE 62 -3.114 3.920 0.006 419 H THR 63 H THR 63 -7.388 6.671 2.848 420 HA THR 63 HA THR 63 -8.761 8.748 1.214 421 HB THR 63 HB THR 63 -8.976 8.423 4.250 422 HG1 THR 63 HG1 THR 63 -11.146 7.655 3.655 423 HG21 THR 63 HG21 THR 63 -9.458 10.719 3.426 424 HG22 THR 63 HG22 THR 63 -10.928 9.931 4.003 425 HG23 THR 63 HG23 THR 63 -10.619 10.057 2.269 426 H PHE 64 H PHE 64 -8.047 10.881 1.372 427 HA PHE 64 HA PHE 64 -5.252 11.276 2.037 428 HB2 PHE 64 HB2 PHE 64 -7.303 13.293 1.018 429 HB3 PHE 64 HB3 PHE 64 -5.556 13.509 1.025 430 HD1 PHE 64 HD1 PHE 64 -8.386 11.789 -0.624 431 HD2 PHE 64 HD2 PHE 64 -4.152 12.377 -0.624 432 HE1 PHE 64 HE1 PHE 64 -8.240 10.773 -2.850 433 HE2 PHE 64 HE2 PHE 64 -4.021 11.367 -2.847 434 HZ PHE 64 HZ PHE 64 -6.056 10.560 -3.969 435 H ALA 65 H ALA 65 -4.392 12.540 3.693 436 HA ALA 65 HA ALA 65 -6.214 13.870 5.611 437 HB1 ALA 65 HB1 ALA 65 -5.173 12.720 7.525 438 HB2 ALA 65 HB2 ALA 65 -4.176 11.763 6.424 439 HB3 ALA 65 HB3 ALA 65 -5.930 11.561 6.429 440 H ALA 66 H ALA 66 -5.397 15.690 6.540 441 HA ALA 66 HA ALA 66 -2.769 16.698 5.884 442 HB1 ALA 66 HB1 ALA 66 -4.843 17.790 7.819 443 HB2 ALA 66 HB2 ALA 66 -4.681 18.229 6.118 444 HB3 ALA 66 HB3 ALA 66 -3.403 18.648 7.261 445 H ASP 67 H ASP 67 -4.110 14.783 8.436 446 HA ASP 67 HA ASP 67 -1.700 14.940 10.124 447 HB2 ASP 67 HB2 ASP 67 -4.190 13.188 10.406 448 HB3 ASP 67 HB3 ASP 67 -2.918 13.383 11.608 449 H ASP 68 H ASP 68 -1.053 12.532 10.864 450 HA ASP 68 HA ASP 68 -0.036 11.183 8.485 451 HB2 ASP 68 HB2 ASP 68 0.411 10.537 11.438 452 HB3 ASP 68 HB3 ASP 68 1.366 9.937 10.081 453 H SER 69 H SER 69 -2.953 10.986 9.093 454 HA SER 69 HA SER 69 -3.475 8.189 9.757 455 HB2 SER 69 HB2 SER 69 -5.395 10.412 8.924 456 HB3 SER 69 HB3 SER 69 -5.847 8.858 9.624 457 HG SER 69 HG SER 69 -5.416 11.050 10.922 458 H ASP 70 H ASP 70 -2.540 9.786 6.997 459 HA ASP 70 HA ASP 70 -4.290 8.643 5.010 460 HB2 ASP 70 HB2 ASP 70 -2.883 9.851 3.418 461 HB3 ASP 70 HB3 ASP 70 -3.252 10.889 4.792 462 H ASN 71 H ASN 71 -1.026 7.871 6.199 463 HA ASN 71 HA ASN 71 -0.133 6.503 3.895 464 HB2 ASN 71 HB2 ASN 71 1.777 5.730 5.439 465 HB3 ASN 71 HB3 ASN 71 1.563 7.460 5.204 466 HD21 ASN 71 HD21 ASN 71 0.847 8.722 6.919 467 HD22 ASN 71 HD22 ASN 71 0.835 8.147 8.548 468 H VAL 72 H VAL 72 -0.587 4.587 3.171 469 HA VAL 72 HA VAL 72 -1.398 2.333 4.894 470 HB VAL 72 HB VAL 72 -1.896 2.893 1.931 471 HG11 VAL 72 HG11 VAL 72 -3.243 0.819 1.864 472 HG12 VAL 72 HG12 VAL 72 -2.735 0.436 3.511 473 HG13 VAL 72 HG13 VAL 72 -1.546 0.476 2.207 474 HG21 VAL 72 HG21 VAL 72 -3.815 2.746 4.284 475 HG22 VAL 72 HG22 VAL 72 -4.288 2.972 2.598 476 HG23 VAL 72 HG23 VAL 72 -3.329 4.206 3.417 477 H VAL 73 H VAL 73 0.028 0.680 5.108 478 HA VAL 73 HA VAL 73 2.382 0.529 3.299 479 HB VAL 73 HB VAL 73 2.176 -0.367 6.216 480 HG11 VAL 73 HG11 VAL 73 3.753 -1.787 4.962 481 HG12 VAL 73 HG12 VAL 73 4.622 -0.749 6.092 482 HG13 VAL 73 HG13 VAL 73 4.602 -0.356 4.370 483 HG21 VAL 73 HG21 VAL 73 3.645 2.019 5.019 484 HG22 VAL 73 HG22 VAL 73 3.705 1.517 6.712 485 HG23 VAL 73 HG23 VAL 73 2.188 2.089 6.014 486 H ILE 74 H ILE 74 2.416 -1.167 1.974 487 HA ILE 74 HA ILE 74 0.812 -3.593 2.439 488 HB ILE 74 HB ILE 74 2.531 -2.929 -0.011 489 HG12 ILE 74 HG12 ILE 74 0.880 -1.096 0.302 490 HG13 ILE 74 HG13 ILE 74 0.514 -2.038 -1.134 491 HG21 ILE 74 HG21 ILE 74 1.889 -5.298 0.172 492 HG22 ILE 74 HG22 ILE 74 1.059 -4.540 -1.187 493 HG23 ILE 74 HG23 ILE 74 0.186 -4.848 0.316 494 HD11 ILE 74 HD11 ILE 74 -1.506 -1.421 0.055 495 HD12 ILE 74 HD12 ILE 74 -0.917 -2.206 1.521 496 HD13 ILE 74 HD13 ILE 74 -1.293 -3.172 0.093 497 H HIS 75 H HIS 75 1.768 -5.619 2.813 498 HA HIS 75 HA HIS 75 4.716 -5.700 3.273 499 HB2 HIS 75 HB2 HIS 75 2.510 -7.173 4.779 500 HB3 HIS 75 HB3 HIS 75 4.239 -7.347 5.084 501 HD1 HIS 75 HD1 HIS 75 5.251 -5.724 6.710 502 HD2 HIS 75 HD2 HIS 75 1.513 -4.481 5.413 503 HE1 HIS 75 HE1 HIS 75 4.694 -3.710 8.092 504 HE2 HIS 75 HE2 HIS 75 2.333 -3.144 7.456 505 H LEU 76 H LEU 76 5.897 -7.484 2.507 506 HA LEU 76 HA LEU 76 4.508 -9.621 0.965 507 HB2 LEU 76 HB2 LEU 76 6.834 -7.937 -0.084 508 HB3 LEU 76 HB3 LEU 76 6.052 -9.254 -0.945 509 HG LEU 76 HG LEU 76 4.645 -6.663 -0.192 510 HD11 LEU 76 HD11 LEU 76 4.893 -5.946 -2.514 511 HD12 LEU 76 HD12 LEU 76 5.866 -7.376 -2.871 512 HD13 LEU 76 HD13 LEU 76 6.466 -6.155 -1.744 513 HD21 LEU 76 HD21 LEU 76 3.115 -8.562 -0.508 514 HD22 LEU 76 HD22 LEU 76 3.800 -8.857 -2.113 515 HD23 LEU 76 HD23 LEU 76 2.922 -7.360 -1.787 516 H LYS 77 H LYS 77 5.566 -11.680 1.177 517 HA LYS 77 HA LYS 77 8.180 -11.834 2.533 518 HB2 LYS 77 HB2 LYS 77 6.303 -14.074 1.622 519 HB3 LYS 77 HB3 LYS 77 7.778 -14.297 2.563 520 HG2 LYS 77 HG2 LYS 77 6.773 -13.005 4.432 521 HG3 LYS 77 HG3 LYS 77 5.309 -12.790 3.477 522 HD2 LYS 77 HD2 LYS 77 4.877 -14.563 5.027 523 HD3 LYS 77 HD3 LYS 77 5.055 -15.310 3.438 524 HE2 LYS 77 HE2 LYS 77 6.218 -16.657 5.079 525 HE3 LYS 77 HE3 LYS 77 7.424 -15.885 4.050 526 HZ1 LYS 77 HZ1 LYS 77 8.067 -15.755 6.361 527 HZ2 LYS 77 HZ2 LYS 77 6.617 -14.992 6.767 528 HZ3 LYS 77 HZ3 LYS 77 7.736 -14.200 5.784 529 H HIS 78 H HIS 78 9.954 -13.131 1.571 530 HA HIS 78 HA HIS 78 10.165 -12.842 -1.332 531 HB2 HIS 78 HB2 HIS 78 12.135 -13.797 0.781 532 HB3 HIS 78 HB3 HIS 78 12.502 -13.839 -0.942 533 HD1 HIS 78 HD1 HIS 78 14.316 -12.171 0.746 534 HD2 HIS 78 HD2 HIS 78 10.828 -10.610 -0.907 535 HE1 HIS 78 HE1 HIS 78 14.721 -9.708 0.527 536 HE2 HIS 78 HE2 HIS 78 12.521 -8.775 -0.235 537 H GLY 79 H GLY 79 10.527 -14.540 -2.803 538 HA2 GLY 79 HA2 GLY 79 9.131 -17.026 -2.239 539 HA3 GLY 79 HA3 GLY 79 9.796 -16.507 -3.781 540 H LEU 80 H LEU 80 10.417 -18.290 -0.871 541 HA LEU 80 HA LEU 80 13.228 -18.754 -1.332 542 HB2 LEU 80 HB2 LEU 80 11.201 -19.834 0.627 543 HB3 LEU 80 HB3 LEU 80 12.744 -20.645 0.460 544 HG LEU 80 HG LEU 80 13.939 -18.586 1.165 545 HD11 LEU 80 HD11 LEU 80 11.214 -17.328 1.570 546 HD12 LEU 80 HD12 LEU 80 12.402 -16.865 0.352 547 HD13 LEU 80 HD13 LEU 80 12.762 -16.634 2.061 548 HD21 LEU 80 HD21 LEU 80 13.294 -20.231 2.865 549 HD22 LEU 80 HD22 LEU 80 11.765 -19.388 3.124 550 HD23 LEU 80 HD23 LEU 80 13.292 -18.598 3.527 551 H GLU 81 H GLU 81 10.452 -21.038 -1.323 552 HA GLU 81 HA GLU 81 10.074 -23.060 -2.292 553 HB2 GLU 81 HB2 GLU 81 9.593 -21.543 -4.192 554 HB3 GLU 81 HB3 GLU 81 11.271 -21.638 -4.711 555 HG2 GLU 81 HG2 GLU 81 9.972 -23.053 -6.157 556 HG3 GLU 81 HG3 GLU 81 10.947 -24.094 -5.127 557 H HIS 82 H HIS 82 11.452 -24.384 -1.087 558 HA HIS 82 HA HIS 82 13.036 -25.901 -0.614 559 HB2 HIS 82 HB2 HIS 82 13.910 -25.554 -3.506 560 HB3 HIS 82 HB3 HIS 82 14.690 -26.686 -2.407 561 HD1 HIS 82 HD1 HIS 82 13.608 -28.930 -2.136 562 HD2 HIS 82 HD2 HIS 82 11.119 -26.233 -4.077 563 HE1 HIS 82 HE1 HIS 82 11.664 -30.282 -2.959 564 HE2 HIS 82 HE2 HIS 82 10.266 -28.661 -4.265 565 H HIS 83 H HIS 83 14.372 -22.975 -2.193 566 HA HIS 83 HA HIS 83 16.991 -23.099 -1.186 567 HB2 HIS 83 HB2 HIS 83 15.322 -20.691 -2.003 568 HB3 HIS 83 HB3 HIS 83 17.044 -20.618 -1.647 569 HD1 HIS 83 HD1 HIS 83 18.668 -21.551 -3.431 570 HD2 HIS 83 HD2 HIS 83 14.668 -21.896 -4.496 571 HE1 HIS 83 HE1 HIS 83 18.665 -22.105 -5.873 572 HE2 HIS 83 HE2 HIS 83 16.246 -22.136 -6.526 573 H HIS 84 H HIS 84 17.963 -22.405 0.659 574 HA HIS 84 HA HIS 84 16.274 -21.496 2.922 575 HB2 HIS 84 HB2 HIS 84 18.963 -22.926 2.892 576 HB3 HIS 84 HB3 HIS 84 18.149 -22.371 4.350 577 HD1 HIS 84 HD1 HIS 84 17.640 -24.857 1.515 578 HD2 HIS 84 HD2 HIS 84 16.330 -24.157 5.396 579 HE1 HIS 84 HE1 HIS 84 16.340 -26.897 2.168 580 HE2 HIS 84 HE2 HIS 84 15.446 -26.389 4.455 581 H HIS 85 H HIS 85 16.811 -19.670 4.101 582 HA HIS 85 HA HIS 85 19.298 -18.175 3.515 583 HB2 HIS 85 HB2 HIS 85 16.471 -17.052 3.411 584 HB3 HIS 85 HB3 HIS 85 17.857 -16.011 3.715 585 HD1 HIS 85 HD1 HIS 85 19.697 -15.961 1.765 586 HD2 HIS 85 HD2 HIS 85 15.994 -17.543 0.725 587 HE1 HIS 85 HE1 HIS 85 19.613 -15.894 -0.741 588 HE2 HIS 85 HE2 HIS 85 17.324 -16.728 -1.335 589 H HIS 86 H HIS 86 19.773 -16.489 5.153 590 HA HIS 86 HA HIS 86 20.096 -15.637 7.215 591 HB2 HIS 86 HB2 HIS 86 17.610 -15.281 7.113 592 HB3 HIS 86 HB3 HIS 86 17.375 -16.819 7.924 593 HD1 HIS 86 HD1 HIS 86 17.503 -16.809 10.450 594 HD2 HIS 86 HD2 HIS 86 18.739 -13.204 8.805 595 HE1 HIS 86 HE1 HIS 86 17.711 -15.223 12.377 596 HE2 HIS 86 HE2 HIS 86 18.640 -13.114 11.383 597 H HIS 87 H HIS 87 20.716 -18.587 6.533 598 HA HIS 87 HA HIS 87 22.036 -19.271 8.982 599 HB2 HIS 87 HB2 HIS 87 19.733 -20.074 9.538 600 HB3 HIS 87 HB3 HIS 87 19.748 -21.106 8.117 601 HD1 HIS 87 HD1 HIS 87 21.619 -20.712 11.417 602 HD2 HIS 87 HD2 HIS 87 20.720 -23.645 8.610 603 HE1 HIS 87 HE1 HIS 87 22.411 -22.871 12.411 604 HE2 HIS 87 HE2 HIS 87 22.033 -24.582 10.626 Start of MODEL 7 1 H1 MET 1 H1 MET 1 -7.057 22.134 2.513 2 H2 MET 1 H2 MET 1 -6.043 22.960 3.578 3 H3 MET 1 H3 MET 1 -5.634 21.404 3.055 4 HA MET 1 HA MET 1 -5.866 23.788 1.311 5 HB2 MET 1 HB2 MET 1 -3.383 22.391 2.395 6 HB3 MET 1 HB3 MET 1 -3.349 23.607 1.123 7 HG2 MET 1 HG2 MET 1 -2.725 24.616 3.239 8 HG3 MET 1 HG3 MET 1 -4.274 25.271 2.711 9 HE1 MET 1 HE1 MET 1 -2.418 22.946 5.274 10 HE2 MET 1 HE2 MET 1 -3.497 21.773 4.515 11 HE3 MET 1 HE3 MET 1 -3.759 22.256 6.189 12 H ASP 2 H ASP 2 -4.076 20.690 1.406 13 HA ASP 2 HA ASP 2 -5.389 19.415 -0.741 14 HB2 ASP 2 HB2 ASP 2 -3.482 19.433 -2.412 15 HB3 ASP 2 HB3 ASP 2 -4.316 20.969 -2.256 16 H GLU 3 H GLU 3 -5.343 17.474 0.303 17 HA GLU 3 HA GLU 3 -3.062 16.839 2.058 18 HB2 GLU 3 HB2 GLU 3 -5.881 15.666 1.904 19 HB3 GLU 3 HB3 GLU 3 -4.640 15.121 3.023 20 HG2 GLU 3 HG2 GLU 3 -6.131 16.551 4.238 21 HG3 GLU 3 HG3 GLU 3 -4.608 17.418 4.043 22 H ASP 4 H ASP 4 -1.832 14.989 1.825 23 HA ASP 4 HA ASP 4 -2.330 13.255 -0.536 24 HB2 ASP 4 HB2 ASP 4 0.136 12.946 -0.675 25 HB3 ASP 4 HB3 ASP 4 -0.351 14.622 -0.903 26 H ALA 5 H ALA 5 -1.737 11.034 -0.372 27 HA ALA 5 HA ALA 5 -1.281 9.902 2.322 28 HB1 ALA 5 HB1 ALA 5 -3.370 8.898 0.347 29 HB2 ALA 5 HB2 ALA 5 -3.701 9.749 1.856 30 HB3 ALA 5 HB3 ALA 5 -2.965 8.145 1.896 31 H THR 6 H THR 6 0.151 8.154 2.329 32 HA THR 6 HA THR 6 1.543 7.644 -0.255 33 HB THR 6 HB THR 6 3.649 7.501 0.973 34 HG1 THR 6 HG1 THR 6 2.247 8.147 3.372 35 HG21 THR 6 HG21 THR 6 2.129 9.977 1.883 36 HG22 THR 6 HG22 THR 6 2.941 9.792 0.327 37 HG23 THR 6 HG23 THR 6 3.886 9.807 1.817 38 H ILE 7 H ILE 7 1.995 5.567 -0.829 39 HA ILE 7 HA ILE 7 1.169 3.355 0.965 40 HB ILE 7 HB ILE 7 1.259 3.314 -2.101 41 HG12 ILE 7 HG12 ILE 7 -1.301 2.872 -1.783 42 HG13 ILE 7 HG13 ILE 7 -1.088 3.518 -0.162 43 HG21 ILE 7 HG21 ILE 7 0.220 1.061 -1.900 44 HG22 ILE 7 HG22 ILE 7 0.385 1.144 -0.145 45 HG23 ILE 7 HG23 ILE 7 1.825 1.112 -1.168 46 HD11 ILE 7 HD11 ILE 7 -0.366 5.652 -1.136 47 HD12 ILE 7 HD12 ILE 7 -1.974 5.180 -1.678 48 HD13 ILE 7 HD13 ILE 7 -0.591 4.983 -2.753 49 H THR 8 H THR 8 2.865 2.244 1.789 50 HA THR 8 HA THR 8 5.470 2.219 0.355 51 HB THR 8 HB THR 8 4.995 2.023 3.368 52 HG1 THR 8 HG1 THR 8 4.612 4.132 2.448 53 HG21 THR 8 HG21 THR 8 7.066 0.841 2.658 54 HG22 THR 8 HG22 THR 8 7.452 2.308 3.559 55 HG23 THR 8 HG23 THR 8 7.602 2.292 1.801 56 H TYR 9 H TYR 9 5.702 0.272 -0.616 57 HA TYR 9 HA TYR 9 4.763 -2.240 0.493 58 HB2 TYR 9 HB2 TYR 9 6.570 -1.586 -1.884 59 HB3 TYR 9 HB3 TYR 9 6.120 -3.230 -1.435 60 HD1 TYR 9 HD2 TYR 9 4.557 0.086 -2.354 61 HD2 TYR 9 HD1 TYR 9 4.145 -4.173 -2.349 62 HE1 TYR 9 HE2 TYR 9 2.479 0.287 -3.641 63 HE2 TYR 9 HE1 TYR 9 2.064 -3.970 -3.640 64 HH TYR 9 HH TYR 9 1.099 -1.030 -5.107 65 H VAL 10 H VAL 10 5.947 -3.734 1.676 66 HA VAL 10 HA VAL 10 8.838 -3.331 2.162 67 HB VAL 10 HB VAL 10 8.492 -3.739 4.647 68 HG11 VAL 10 HG11 VAL 10 7.875 -1.421 5.221 69 HG12 VAL 10 HG12 VAL 10 7.240 -1.177 3.590 70 HG13 VAL 10 HG13 VAL 10 8.963 -1.471 3.830 71 HG21 VAL 10 HG21 VAL 10 6.263 -3.297 5.639 72 HG22 VAL 10 HG22 VAL 10 6.229 -4.704 4.577 73 HG23 VAL 10 HG23 VAL 10 5.566 -3.166 4.020 74 H ASP 11 H ASP 11 9.990 -5.262 2.681 75 HA ASP 11 HA ASP 11 8.525 -7.799 2.227 76 HB2 ASP 11 HB2 ASP 11 10.266 -7.350 0.554 77 HB3 ASP 11 HB3 ASP 11 11.475 -7.137 1.818 78 H ASP 12 H ASP 12 8.395 -9.250 3.791 79 HA ASP 12 HA ASP 12 9.194 -8.781 6.459 80 HB2 ASP 12 HB2 ASP 12 7.142 -10.027 5.760 81 HB3 ASP 12 HB3 ASP 12 8.148 -11.358 5.195 82 H ASP 13 H ASP 13 10.521 -10.853 3.900 83 HA ASP 13 HA ASP 13 12.427 -12.212 5.610 84 HB2 ASP 13 HB2 ASP 13 12.073 -12.166 2.587 85 HB3 ASP 13 HB3 ASP 13 13.237 -13.187 3.429 86 H LYS 14 H LYS 14 12.420 -9.105 4.418 87 HA LYS 14 HA LYS 14 15.378 -8.933 4.553 88 HB2 LYS 14 HB2 LYS 14 14.072 -8.224 2.370 89 HB3 LYS 14 HB3 LYS 14 13.597 -6.812 3.295 90 HG2 LYS 14 HG2 LYS 14 15.452 -5.949 2.233 91 HG3 LYS 14 HG3 LYS 14 16.239 -6.582 3.674 92 HD2 LYS 14 HD2 LYS 14 16.081 -8.047 1.003 93 HD3 LYS 14 HD3 LYS 14 17.453 -7.078 1.531 94 HE2 LYS 14 HE2 LYS 14 16.444 -9.598 2.897 95 HE3 LYS 14 HE3 LYS 14 17.854 -9.488 1.849 96 HZ1 LYS 14 HZ1 LYS 14 18.492 -9.463 4.158 97 HZ2 LYS 14 HZ2 LYS 14 17.524 -8.112 4.458 98 HZ3 LYS 14 HZ3 LYS 14 18.866 -7.977 3.442 99 H GLY 15 H GLY 15 13.139 -8.900 6.672 100 HA2 GLY 15 HA2 GLY 15 12.862 -7.952 8.750 101 HA3 GLY 15 HA3 GLY 15 14.265 -6.949 8.430 102 H GLY 16 H GLY 16 11.235 -7.053 6.600 103 HA2 GLY 16 HA2 GLY 16 9.554 -5.521 6.231 104 HA3 GLY 16 HA3 GLY 16 10.006 -4.733 7.736 105 H ALA 17 H ALA 17 12.178 -5.189 4.962 106 HA ALA 17 HA ALA 17 12.762 -2.333 4.863 107 HB1 ALA 17 HB1 ALA 17 14.589 -3.980 4.750 108 HB2 ALA 17 HB2 ALA 17 14.556 -2.967 3.304 109 HB3 ALA 17 HB3 ALA 17 13.932 -4.618 3.241 110 H GLN 18 H GLN 18 12.577 -0.989 3.003 111 HA GLN 18 HA GLN 18 10.093 -1.150 1.683 112 HB2 GLN 18 HB2 GLN 18 11.127 0.996 2.189 113 HB3 GLN 18 HB3 GLN 18 12.502 0.631 1.152 114 HG2 GLN 18 HG2 GLN 18 11.002 0.674 -0.833 115 HG3 GLN 18 HG3 GLN 18 9.643 1.080 0.216 116 HE21 GLN 18 HE21 GLN 18 10.968 2.567 -2.020 117 HE22 GLN 18 HE22 GLN 18 11.334 4.118 -1.357 118 H VAL 19 H VAL 19 9.467 -2.147 -0.111 119 HA VAL 19 HA VAL 19 11.360 -3.378 -1.999 120 HB VAL 19 HB VAL 19 8.307 -3.633 -1.878 121 HG11 VAL 19 HG11 VAL 19 8.601 -5.595 -3.366 122 HG12 VAL 19 HG12 VAL 19 10.333 -5.265 -3.461 123 HG13 VAL 19 HG13 VAL 19 9.177 -4.110 -4.130 124 HG21 VAL 19 HG21 VAL 19 10.418 -5.561 -0.847 125 HG22 VAL 19 HG22 VAL 19 8.675 -5.854 -0.871 126 HG23 VAL 19 HG23 VAL 19 9.341 -4.573 0.143 127 H GLY 20 H GLY 20 12.025 -2.035 -3.572 128 HA2 GLY 20 HA2 GLY 20 11.971 -0.752 -5.469 129 HA3 GLY 20 HA3 GLY 20 10.220 -0.889 -5.479 130 H ASP 21 H ASP 21 8.998 0.831 -4.716 131 HA ASP 21 HA ASP 21 10.262 3.157 -3.474 132 HB2 ASP 21 HB2 ASP 21 10.762 3.362 -5.921 133 HB3 ASP 21 HB3 ASP 21 9.035 3.325 -6.270 134 H ILE 22 H ILE 22 8.739 4.793 -2.808 135 HA ILE 22 HA ILE 22 6.182 3.731 -1.925 136 HB ILE 22 HB ILE 22 7.487 6.448 -1.427 137 HG12 ILE 22 HG12 ILE 22 7.330 3.997 0.391 138 HG13 ILE 22 HG13 ILE 22 8.763 4.506 -0.493 139 HG21 ILE 22 HG21 ILE 22 5.859 6.733 0.425 140 HG22 ILE 22 HG22 ILE 22 5.061 5.231 -0.046 141 HG23 ILE 22 HG23 ILE 22 5.046 6.617 -1.137 142 HD11 ILE 22 HD11 ILE 22 8.856 6.555 0.831 143 HD12 ILE 22 HD12 ILE 22 8.893 5.113 1.846 144 HD13 ILE 22 HD13 ILE 22 7.410 6.056 1.713 145 H VAL 23 H VAL 23 4.161 4.408 -2.568 146 HA VAL 23 HA VAL 23 3.911 6.052 -5.018 147 HB VAL 23 HB VAL 23 1.905 4.073 -3.821 148 HG11 VAL 23 HG11 VAL 23 0.821 5.770 -5.229 149 HG12 VAL 23 HG12 VAL 23 0.765 4.190 -6.010 150 HG13 VAL 23 HG13 VAL 23 1.924 5.403 -6.560 151 HG21 VAL 23 HG21 VAL 23 2.580 2.491 -5.602 152 HG22 VAL 23 HG22 VAL 23 3.919 2.859 -4.513 153 HG23 VAL 23 HG23 VAL 23 3.854 3.607 -6.110 154 H THR 24 H THR 24 3.595 8.177 -4.279 155 HA THR 24 HA THR 24 1.620 8.721 -2.150 156 HB THR 24 HB THR 24 3.373 10.726 -3.656 157 HG1 THR 24 HG1 THR 24 4.915 10.092 -2.363 158 HG21 THR 24 HG21 THR 24 1.807 11.035 -1.059 159 HG22 THR 24 HG22 THR 24 1.399 11.791 -2.602 160 HG23 THR 24 HG23 THR 24 2.883 12.246 -1.761 161 H VAL 25 H VAL 25 -0.361 9.617 -2.507 162 HA VAL 25 HA VAL 25 -1.088 10.622 -5.207 163 HB VAL 25 HB VAL 25 -3.457 9.811 -4.764 164 HG11 VAL 25 HG11 VAL 25 -1.971 8.503 -6.224 165 HG12 VAL 25 HG12 VAL 25 -3.049 7.438 -5.321 166 HG13 VAL 25 HG13 VAL 25 -1.358 7.605 -4.831 167 HG21 VAL 25 HG21 VAL 25 -2.206 8.281 -2.440 168 HG22 VAL 25 HG22 VAL 25 -3.862 8.093 -3.028 169 HG23 VAL 25 HG23 VAL 25 -3.353 9.617 -2.301 170 H THR 26 H THR 26 -2.314 12.566 -5.265 171 HA THR 26 HA THR 26 -2.627 13.994 -2.662 172 HB THR 26 HB THR 26 -1.657 15.200 -5.300 173 HG1 THR 26 HG1 THR 26 -0.152 15.280 -2.922 174 HG21 THR 26 HG21 THR 26 -1.285 17.291 -3.984 175 HG22 THR 26 HG22 THR 26 -2.090 16.550 -2.599 176 HG23 THR 26 HG23 THR 26 -2.999 16.870 -4.079 177 H GLY 27 H GLY 27 -4.463 15.107 -2.310 178 HA2 GLY 27 HA2 GLY 27 -6.357 16.008 -4.245 179 HA3 GLY 27 HA3 GLY 27 -6.876 14.485 -3.522 180 H LYS 28 H LYS 28 -8.523 15.069 -2.117 181 HA LYS 28 HA LYS 28 -7.879 16.967 0.077 182 HB2 LYS 28 HB2 LYS 28 -10.492 16.934 -1.503 183 HB3 LYS 28 HB3 LYS 28 -10.254 17.838 -0.013 184 HG2 LYS 28 HG2 LYS 28 -8.724 18.305 -2.598 185 HG3 LYS 28 HG3 LYS 28 -10.114 19.246 -2.059 186 HD2 LYS 28 HD2 LYS 28 -7.462 19.028 -0.574 187 HD3 LYS 28 HD3 LYS 28 -7.945 20.381 -1.597 188 HE2 LYS 28 HE2 LYS 28 -9.342 19.506 0.958 189 HE3 LYS 28 HE3 LYS 28 -8.277 20.902 0.786 190 HZ1 LYS 28 HZ1 LYS 28 -9.850 21.890 -0.745 191 HZ2 LYS 28 HZ2 LYS 28 -10.626 21.507 0.706 192 HZ3 LYS 28 HZ3 LYS 28 -10.851 20.531 -0.650 193 H THR 29 H THR 29 -8.947 16.561 2.059 194 HA THR 29 HA THR 29 -9.323 13.911 2.849 195 HB THR 29 HB THR 29 -10.390 16.399 4.261 196 HG1 THR 29 HG1 THR 29 -7.834 15.221 4.069 197 HG21 THR 29 HG21 THR 29 -11.290 14.317 5.269 198 HG22 THR 29 HG22 THR 29 -10.136 15.098 6.351 199 HG23 THR 29 HG23 THR 29 -9.649 13.682 5.418 200 H ASP 30 H ASP 30 -11.717 16.168 1.593 201 HA ASP 30 HA ASP 30 -14.107 15.003 2.513 202 HB2 ASP 30 HB2 ASP 30 -13.942 17.287 1.542 203 HB3 ASP 30 HB3 ASP 30 -13.640 16.596 -0.050 204 H ASP 31 H ASP 31 -12.068 14.145 -0.233 205 HA ASP 31 HA ASP 31 -13.988 12.038 -1.075 206 HB2 ASP 31 HB2 ASP 31 -12.998 12.221 -3.347 207 HB3 ASP 31 HB3 ASP 31 -13.734 13.727 -2.808 208 H SER 32 H SER 32 -13.162 10.044 -1.764 209 HA SER 32 HA SER 32 -10.507 9.282 -0.672 210 HB2 SER 32 HB2 SER 32 -11.499 7.017 -0.300 211 HB3 SER 32 HB3 SER 32 -12.341 8.271 0.609 212 HG SER 32 HG SER 32 -14.047 7.430 -0.304 213 H THR 33 H THR 33 -9.217 7.889 -1.861 214 HA THR 33 HA THR 33 -10.002 7.212 -4.659 215 HB THR 33 HB THR 33 -8.121 8.803 -4.643 216 HG1 THR 33 HG1 THR 33 -7.115 7.730 -6.187 217 HG21 THR 33 HG21 THR 33 -7.148 8.291 -2.417 218 HG22 THR 33 HG22 THR 33 -5.920 8.241 -3.684 219 HG23 THR 33 HG23 THR 33 -6.573 6.738 -3.030 220 H THR 34 H THR 34 -9.797 5.077 -5.321 221 HA THR 34 HA THR 34 -8.960 3.082 -3.281 222 HB THR 34 HB THR 34 -10.200 1.391 -4.660 223 HG1 THR 34 HG1 THR 34 -11.055 3.686 -6.146 224 HG21 THR 34 HG21 THR 34 -12.477 2.104 -4.035 225 HG22 THR 34 HG22 THR 34 -11.908 3.755 -3.792 226 HG23 THR 34 HG23 THR 34 -11.333 2.461 -2.736 227 H TYR 35 H TYR 35 -6.921 2.452 -3.505 228 HA TYR 35 HA TYR 35 -5.502 2.675 -6.067 229 HB2 TYR 35 HB2 TYR 35 -4.380 3.729 -4.201 230 HB3 TYR 35 HB3 TYR 35 -4.566 2.302 -3.191 231 HD1 TYR 35 HD2 TYR 35 -2.893 3.412 -6.393 232 HD2 TYR 35 HD1 TYR 35 -2.731 0.801 -3.003 233 HE1 TYR 35 HE2 TYR 35 -0.677 2.626 -7.099 234 HE2 TYR 35 HE1 TYR 35 -0.520 0.017 -3.717 235 HH TYR 35 HH TYR 35 1.304 1.569 -6.159 236 H THR 36 H THR 36 -4.852 0.937 -7.241 237 HA THR 36 HA THR 36 -5.584 -1.763 -6.432 238 HB THR 36 HB THR 36 -6.069 -1.254 -8.723 239 HG1 THR 36 HG1 THR 36 -3.746 -2.825 -9.044 240 HG21 THR 36 HG21 THR 36 -3.140 -0.557 -9.165 241 HG22 THR 36 HG22 THR 36 -4.479 0.596 -9.129 242 HG23 THR 36 HG23 THR 36 -4.389 -0.618 -10.409 243 H VAL 37 H VAL 37 -4.242 -3.203 -5.503 244 HA VAL 37 HA VAL 37 -1.561 -2.443 -4.748 245 HB VAL 37 HB VAL 37 -2.978 -5.103 -4.237 246 HG11 VAL 37 HG11 VAL 37 -0.620 -3.828 -2.792 247 HG12 VAL 37 HG12 VAL 37 -0.557 -5.236 -3.854 248 HG13 VAL 37 HG13 VAL 37 -1.422 -5.330 -2.319 249 HG21 VAL 37 HG21 VAL 37 -2.966 -2.617 -2.478 250 HG22 VAL 37 HG22 VAL 37 -3.650 -4.186 -2.038 251 HG23 VAL 37 HG23 VAL 37 -4.353 -3.259 -3.366 252 H THR 38 H THR 38 0.327 -3.097 -5.657 253 HA THR 38 HA THR 38 0.246 -4.817 -8.075 254 HB THR 38 HB THR 38 2.142 -2.475 -7.540 255 HG1 THR 38 HG1 THR 38 -0.083 -1.824 -7.821 256 HG21 THR 38 HG21 THR 38 1.566 -4.039 -10.097 257 HG22 THR 38 HG22 THR 38 3.046 -4.143 -9.141 258 HG23 THR 38 HG23 THR 38 2.636 -2.640 -9.968 259 H ILE 39 H ILE 39 1.134 -6.761 -7.485 260 HA ILE 39 HA ILE 39 3.215 -6.916 -5.417 261 HB ILE 39 HB ILE 39 1.815 -9.235 -6.826 262 HG12 ILE 39 HG12 ILE 39 0.105 -7.855 -5.710 263 HG13 ILE 39 HG13 ILE 39 0.319 -9.353 -4.814 264 HG21 ILE 39 HG21 ILE 39 3.915 -9.890 -5.721 265 HG22 ILE 39 HG22 ILE 39 2.535 -10.564 -4.853 266 HG23 ILE 39 HG23 ILE 39 3.375 -9.151 -4.208 267 HD11 ILE 39 HD11 ILE 39 1.682 -8.140 -3.161 268 HD12 ILE 39 HD12 ILE 39 0.055 -7.480 -3.315 269 HD13 ILE 39 HD13 ILE 39 1.417 -6.644 -4.060 270 HA PRO 40 HA PRO 40 6.225 -7.178 -8.886 271 HB2 PRO 40 HB2 PRO 40 8.508 -6.826 -7.426 272 HB3 PRO 40 HB3 PRO 40 7.408 -5.491 -7.802 273 HG2 PRO 40 HG2 PRO 40 7.595 -7.125 -5.271 274 HG3 PRO 40 HG3 PRO 40 7.469 -5.364 -5.446 275 HD2 PRO 40 HD2 PRO 40 5.313 -6.934 -4.868 276 HD3 PRO 40 HD3 PRO 40 5.169 -5.436 -5.814 277 H ASP 41 H ASP 41 8.036 -8.541 -9.512 278 HA ASP 41 HA ASP 41 7.585 -11.297 -9.108 279 HB2 ASP 41 HB2 ASP 41 9.995 -9.902 -10.352 280 HB3 ASP 41 HB3 ASP 41 9.644 -11.622 -10.505 281 H GLY 42 H GLY 42 8.429 -12.790 -7.757 282 HA2 GLY 42 HA2 GLY 42 10.051 -13.814 -6.363 283 HA3 GLY 42 HA3 GLY 42 10.855 -12.267 -6.146 284 H TYR 43 H TYR 43 7.978 -11.136 -5.666 285 HA TYR 43 HA TYR 43 7.914 -11.748 -2.765 286 HB2 TYR 43 HB2 TYR 43 7.009 -9.197 -4.180 287 HB3 TYR 43 HB3 TYR 43 7.049 -9.471 -2.437 288 HD1 TYR 43 HD1 TYR 43 9.257 -9.637 -1.242 289 HD2 TYR 43 HD2 TYR 43 9.050 -8.591 -5.385 290 HE1 TYR 43 HE1 TYR 43 11.576 -8.844 -1.163 291 HE2 TYR 43 HE2 TYR 43 11.369 -7.792 -5.300 292 HH TYR 43 HH TYR 43 12.959 -6.911 -3.448 293 H GLU 44 H GLU 44 5.754 -11.403 -1.754 294 HA GLU 44 HA GLU 44 3.407 -12.158 -3.347 295 HB2 GLU 44 HB2 GLU 44 4.844 -14.220 -2.770 296 HB3 GLU 44 HB3 GLU 44 4.425 -13.946 -1.091 297 HG2 GLU 44 HG2 GLU 44 2.378 -14.467 -3.268 298 HG3 GLU 44 HG3 GLU 44 3.125 -15.747 -2.323 299 H TYR 45 H TYR 45 1.447 -11.703 -2.253 300 HA TYR 45 HA TYR 45 1.638 -9.525 -0.403 301 HB2 TYR 45 HB2 TYR 45 -0.016 -9.574 -2.219 302 HB3 TYR 45 HB3 TYR 45 -0.778 -10.994 -1.520 303 HD1 TYR 45 HD2 TYR 45 -0.044 -7.373 -0.786 304 HD2 TYR 45 HD1 TYR 45 -2.560 -10.736 0.046 305 HE1 TYR 45 HE2 TYR 45 -1.534 -5.942 0.545 306 HE2 TYR 45 HE1 TYR 45 -4.037 -9.306 1.376 307 HH TYR 45 HH TYR 45 -4.051 -7.256 2.532 308 H VAL 46 H VAL 46 1.505 -9.514 1.785 309 HA VAL 46 HA VAL 46 0.498 -11.864 3.271 310 HB VAL 46 HB VAL 46 2.027 -9.460 4.376 311 HG11 VAL 46 HG11 VAL 46 1.312 -12.091 5.739 312 HG12 VAL 46 HG12 VAL 46 0.613 -10.510 6.102 313 HG13 VAL 46 HG13 VAL 46 2.320 -10.814 6.429 314 HG21 VAL 46 HG21 VAL 46 3.978 -10.959 4.548 315 HG22 VAL 46 HG22 VAL 46 3.455 -10.771 2.873 316 HG23 VAL 46 HG23 VAL 46 3.063 -12.247 3.759 317 H GLY 47 H GLY 47 0.315 -8.276 3.504 318 HA2 GLY 47 HA2 GLY 47 -2.492 -8.187 4.066 319 HA3 GLY 47 HA3 GLY 47 -1.558 -8.099 5.556 320 H THR 48 H THR 48 -2.861 -5.989 5.507 321 HA THR 48 HA THR 48 -1.266 -3.798 4.289 322 HB THR 48 HB THR 48 -4.273 -4.216 4.105 323 HG1 THR 48 HG1 THR 48 -3.564 -4.793 2.209 324 HG21 THR 48 HG21 THR 48 -4.049 -1.904 4.895 325 HG22 THR 48 HG22 THR 48 -4.520 -1.925 3.194 326 HG23 THR 48 HG23 THR 48 -2.850 -1.573 3.646 327 H ASP 49 H ASP 49 -0.968 -2.035 5.591 328 HA ASP 49 HA ASP 49 -2.304 -1.948 8.243 329 HB2 ASP 49 HB2 ASP 49 0.073 -2.735 8.374 330 HB3 ASP 49 HB3 ASP 49 0.601 -1.237 7.618 331 H GLY 50 H GLY 50 -3.724 -0.282 8.069 332 HA2 GLY 50 HA2 GLY 50 -4.153 2.106 8.083 333 HA3 GLY 50 HA3 GLY 50 -2.895 2.321 6.872 334 H GLY 51 H GLY 51 -5.738 3.190 6.775 335 HA2 GLY 51 HA2 GLY 51 -7.424 3.365 5.216 336 HA3 GLY 51 HA3 GLY 51 -6.455 2.388 4.125 337 H VAL 52 H VAL 52 -8.643 1.552 3.517 338 HA VAL 52 HA VAL 52 -9.488 -0.727 5.247 339 HB VAL 52 HB VAL 52 -11.232 0.806 3.245 340 HG11 VAL 52 HG11 VAL 52 -13.123 -0.528 4.134 341 HG12 VAL 52 HG12 VAL 52 -12.008 -1.438 5.157 342 HG13 VAL 52 HG13 VAL 52 -11.894 -1.564 3.400 343 HG21 VAL 52 HG21 VAL 52 -10.789 2.168 5.241 344 HG22 VAL 52 HG22 VAL 52 -11.336 0.853 6.284 345 HG23 VAL 52 HG23 VAL 52 -12.479 1.655 5.201 346 H VAL 53 H VAL 53 -8.579 -2.542 4.355 347 HA VAL 53 HA VAL 53 -7.978 -2.679 1.494 348 HB VAL 53 HB VAL 53 -6.269 -3.362 3.190 349 HG11 VAL 53 HG11 VAL 53 -6.424 -5.517 4.367 350 HG12 VAL 53 HG12 VAL 53 -8.062 -5.748 3.749 351 HG13 VAL 53 HG13 VAL 53 -7.720 -4.422 4.861 352 HG21 VAL 53 HG21 VAL 53 -5.477 -5.390 2.025 353 HG22 VAL 53 HG22 VAL 53 -6.082 -4.191 0.881 354 HG23 VAL 53 HG23 VAL 53 -7.069 -5.597 1.286 355 H SER 54 H SER 54 -8.703 -4.288 0.087 356 HA SER 54 HA SER 54 -11.245 -5.556 0.414 357 HB2 SER 54 HB2 SER 54 -10.479 -4.985 -1.831 358 HB3 SER 54 HB3 SER 54 -9.018 -5.949 -1.636 359 HG SER 54 HG SER 54 -11.634 -7.047 -1.544 360 H SER 55 H SER 55 -11.710 -7.777 0.708 361 HA SER 55 HA SER 55 -10.129 -9.347 2.430 362 HB2 SER 55 HB2 SER 55 -12.350 -10.265 0.553 363 HB3 SER 55 HB3 SER 55 -11.743 -11.171 1.942 364 HG SER 55 HG SER 55 -12.386 -8.761 2.827 365 H ASP 56 H ASP 56 -10.216 -9.200 -1.085 366 HA ASP 56 HA ASP 56 -8.603 -11.560 -1.560 367 HB2 ASP 56 HB2 ASP 56 -9.253 -9.292 -3.502 368 HB3 ASP 56 HB3 ASP 56 -8.787 -10.946 -3.900 369 H GLY 57 H GLY 57 -7.926 -8.285 -0.705 370 HA2 GLY 57 HA2 GLY 57 -5.994 -7.038 -0.541 371 HA3 GLY 57 HA3 GLY 57 -5.084 -8.488 -0.934 372 H LYS 58 H LYS 58 -7.526 -7.402 -3.136 373 HA LYS 58 HA LYS 58 -5.605 -6.943 -5.272 374 HB2 LYS 58 HB2 LYS 58 -7.716 -6.611 -6.672 375 HB3 LYS 58 HB3 LYS 58 -7.553 -8.186 -5.903 376 HG2 LYS 58 HG2 LYS 58 -9.154 -7.553 -4.166 377 HG3 LYS 58 HG3 LYS 58 -9.268 -5.919 -4.819 378 HD2 LYS 58 HD2 LYS 58 -10.024 -8.374 -6.446 379 HD3 LYS 58 HD3 LYS 58 -11.172 -7.554 -5.387 380 HE2 LYS 58 HE2 LYS 58 -9.700 -6.232 -7.695 381 HE3 LYS 58 HE3 LYS 58 -11.360 -6.825 -7.762 382 HZ1 LYS 58 HZ1 LYS 58 -10.371 -4.696 -5.932 383 HZ2 LYS 58 HZ2 LYS 58 -11.965 -5.249 -6.035 384 HZ3 LYS 58 HZ3 LYS 58 -11.266 -4.440 -7.344 385 H THR 59 H THR 59 -7.722 -4.986 -3.268 386 HA THR 59 HA THR 59 -6.653 -2.454 -4.323 387 HB THR 59 HB THR 59 -9.099 -1.515 -4.327 388 HG1 THR 59 HG1 THR 59 -10.568 -2.940 -3.808 389 HG21 THR 59 HG21 THR 59 -9.534 -2.171 -6.662 390 HG22 THR 59 HG22 THR 59 -8.356 -3.478 -6.533 391 HG23 THR 59 HG23 THR 59 -7.825 -1.797 -6.433 392 H VAL 60 H VAL 60 -6.727 -0.748 -2.811 393 HA VAL 60 HA VAL 60 -7.932 -1.269 -0.136 394 HB VAL 60 HB VAL 60 -5.386 0.363 -0.658 395 HG11 VAL 60 HG11 VAL 60 -5.139 0.391 1.807 396 HG12 VAL 60 HG12 VAL 60 -6.676 -0.463 1.978 397 HG13 VAL 60 HG13 VAL 60 -6.641 1.167 1.299 398 HG21 VAL 60 HG21 VAL 60 -4.913 -2.026 -1.021 399 HG22 VAL 60 HG22 VAL 60 -5.585 -2.419 0.562 400 HG23 VAL 60 HG23 VAL 60 -4.116 -1.445 0.445 401 H THR 61 H THR 61 -9.594 0.150 0.233 402 HA THR 61 HA THR 61 -9.961 2.652 -1.087 403 HB THR 61 HB THR 61 -11.241 1.670 1.505 404 HG1 THR 61 HG1 THR 61 -12.734 1.609 -0.823 405 HG21 THR 61 HG21 THR 61 -11.540 4.107 1.198 406 HG22 THR 61 HG22 THR 61 -13.070 3.263 0.956 407 HG23 THR 61 HG23 THR 61 -12.154 3.838 -0.438 408 H ILE 62 H ILE 62 -8.628 4.293 -0.752 409 HA ILE 62 HA ILE 62 -7.475 4.902 1.924 410 HB ILE 62 HB ILE 62 -6.412 5.718 -0.833 411 HG12 ILE 62 HG12 ILE 62 -5.412 3.473 0.978 412 HG13 ILE 62 HG13 ILE 62 -6.312 3.248 -0.516 413 HG21 ILE 62 HG21 ILE 62 -5.721 7.253 0.971 414 HG22 ILE 62 HG22 ILE 62 -4.340 6.338 0.368 415 HG23 ILE 62 HG23 ILE 62 -5.087 5.893 1.905 416 HD11 ILE 62 HD11 ILE 62 -3.557 4.430 -0.261 417 HD12 ILE 62 HD12 ILE 62 -4.466 4.258 -1.765 418 HD13 ILE 62 HD13 ILE 62 -3.977 2.826 -0.861 419 H THR 63 H THR 63 -7.669 7.053 2.677 420 HA THR 63 HA THR 63 -9.077 9.018 0.930 421 HB THR 63 HB THR 63 -9.302 8.915 3.984 422 HG1 THR 63 HG1 THR 63 -10.423 7.154 3.118 423 HG21 THR 63 HG21 THR 63 -11.175 10.501 3.640 424 HG22 THR 63 HG22 THR 63 -10.864 10.506 1.902 425 HG23 THR 63 HG23 THR 63 -9.665 11.174 3.016 426 H PHE 64 H PHE 64 -8.242 11.150 0.974 427 HA PHE 64 HA PHE 64 -5.425 11.312 1.417 428 HB2 PHE 64 HB2 PHE 64 -7.411 13.521 0.758 429 HB3 PHE 64 HB3 PHE 64 -5.660 13.636 0.605 430 HD1 PHE 64 HD2 PHE 64 -4.468 12.123 -1.072 431 HD2 PHE 64 HD1 PHE 64 -8.726 12.540 -1.002 432 HE1 PHE 64 HE2 PHE 64 -4.611 11.212 -3.345 433 HE2 PHE 64 HE1 PHE 64 -8.853 11.624 -3.268 434 HZ PHE 64 HZ PHE 64 -6.800 10.960 -4.447 435 H ALA 65 H ALA 65 -4.431 11.639 3.316 436 HA ALA 65 HA ALA 65 -5.746 13.163 5.494 437 HB1 ALA 65 HB1 ALA 65 -4.468 10.415 5.818 438 HB2 ALA 65 HB2 ALA 65 -6.198 10.759 5.859 439 HB3 ALA 65 HB3 ALA 65 -5.145 11.408 7.115 440 H ALA 66 H ALA 66 -4.356 14.330 6.814 441 HA ALA 66 HA ALA 66 -1.630 14.736 5.883 442 HB1 ALA 66 HB1 ALA 66 -1.614 16.615 7.454 443 HB2 ALA 66 HB2 ALA 66 -3.140 16.067 8.154 444 HB3 ALA 66 HB3 ALA 66 -3.089 16.633 6.483 445 H ASP 67 H ASP 67 -2.517 12.189 7.486 446 HA ASP 67 HA ASP 67 -0.090 11.947 9.091 447 HB2 ASP 67 HB2 ASP 67 -1.257 11.203 11.115 448 HB3 ASP 67 HB3 ASP 67 -1.787 12.824 10.688 449 H ASP 68 H ASP 68 -0.527 9.496 10.285 450 HA ASP 68 HA ASP 68 -0.139 7.812 7.944 451 HB2 ASP 68 HB2 ASP 68 0.330 7.277 10.899 452 HB3 ASP 68 HB3 ASP 68 0.715 6.131 9.616 453 H SER 69 H SER 69 -2.937 8.453 9.636 454 HA SER 69 HA SER 69 -4.160 5.998 10.144 455 HB2 SER 69 HB2 SER 69 -5.212 8.138 10.764 456 HB3 SER 69 HB3 SER 69 -5.473 8.531 9.065 457 HG SER 69 HG SER 69 -7.096 7.137 8.966 458 H ASP 70 H ASP 70 -3.786 7.656 7.057 459 HA ASP 70 HA ASP 70 -5.007 5.377 5.593 460 HB2 ASP 70 HB2 ASP 70 -5.047 8.344 4.892 461 HB3 ASP 70 HB3 ASP 70 -5.569 7.066 3.794 462 H ASN 71 H ASN 71 -2.054 6.701 6.290 463 HA ASN 71 HA ASN 71 -0.765 6.233 3.748 464 HB2 ASN 71 HB2 ASN 71 0.415 6.405 6.555 465 HB3 ASN 71 HB3 ASN 71 1.377 6.217 5.089 466 HD21 ASN 71 HD21 ASN 71 1.489 8.390 6.967 467 HD22 ASN 71 HD22 ASN 71 1.079 9.825 6.104 468 H VAL 72 H VAL 72 -0.855 4.270 2.873 469 HA VAL 72 HA VAL 72 -1.532 1.938 4.506 470 HB VAL 72 HB VAL 72 -1.595 2.467 1.500 471 HG11 VAL 72 HG11 VAL 72 -1.134 0.089 1.792 472 HG12 VAL 72 HG12 VAL 72 -2.804 0.303 1.266 473 HG13 VAL 72 HG13 VAL 72 -2.452 -0.057 2.958 474 HG21 VAL 72 HG21 VAL 72 -3.318 3.669 2.743 475 HG22 VAL 72 HG22 VAL 72 -3.825 2.182 3.549 476 HG23 VAL 72 HG23 VAL 72 -4.063 2.368 1.810 477 H VAL 73 H VAL 73 0.008 0.529 5.110 478 HA VAL 73 HA VAL 73 2.544 0.320 3.605 479 HB VAL 73 HB VAL 73 1.904 -0.680 6.430 480 HG11 VAL 73 HG11 VAL 73 4.578 -0.529 4.970 481 HG12 VAL 73 HG12 VAL 73 3.688 -2.003 5.367 482 HG13 VAL 73 HG13 VAL 73 4.353 -1.001 6.658 483 HG21 VAL 73 HG21 VAL 73 3.280 1.204 7.253 484 HG22 VAL 73 HG22 VAL 73 1.876 1.784 6.354 485 HG23 VAL 73 HG23 VAL 73 3.472 1.796 5.600 486 H ILE 74 H ILE 74 2.342 -1.218 2.058 487 HA ILE 74 HA ILE 74 0.651 -3.578 2.391 488 HB ILE 74 HB ILE 74 2.469 -2.788 0.055 489 HG12 ILE 74 HG12 ILE 74 0.568 -1.189 0.411 490 HG13 ILE 74 HG13 ILE 74 0.450 -2.045 -1.119 491 HG21 ILE 74 HG21 ILE 74 2.104 -5.217 0.086 492 HG22 ILE 74 HG22 ILE 74 1.214 -4.497 -1.255 493 HG23 ILE 74 HG23 ILE 74 0.357 -4.981 0.210 494 HD11 ILE 74 HD11 ILE 74 -1.278 -3.491 -0.195 495 HD12 ILE 74 HD12 ILE 74 -1.712 -1.790 -0.019 496 HD13 ILE 74 HD13 ILE 74 -1.123 -2.695 1.374 497 H HIS 75 H HIS 75 1.464 -5.245 3.535 498 HA HIS 75 HA HIS 75 4.338 -5.651 3.836 499 HB2 HIS 75 HB2 HIS 75 1.910 -6.958 5.136 500 HB3 HIS 75 HB3 HIS 75 3.563 -7.513 5.416 501 HD1 HIS 75 HD1 HIS 75 5.107 -6.021 6.833 502 HD2 HIS 75 HD2 HIS 75 1.274 -4.465 6.383 503 HE1 HIS 75 HE1 HIS 75 4.951 -4.128 8.467 504 HE2 HIS 75 HE2 HIS 75 2.570 -3.348 8.324 505 H LEU 76 H LEU 76 5.462 -7.195 2.863 506 HA LEU 76 HA LEU 76 4.149 -9.220 1.142 507 HB2 LEU 76 HB2 LEU 76 6.669 -7.609 0.505 508 HB3 LEU 76 HB3 LEU 76 5.999 -8.889 -0.499 509 HG LEU 76 HG LEU 76 4.675 -6.207 0.070 510 HD11 LEU 76 HD11 LEU 76 5.109 -5.681 -2.283 511 HD12 LEU 76 HD12 LEU 76 5.971 -7.208 -2.485 512 HD13 LEU 76 HD13 LEU 76 6.613 -5.965 -1.406 513 HD21 LEU 76 HD21 LEU 76 2.995 -7.973 -0.224 514 HD22 LEU 76 HD22 LEU 76 3.745 -8.451 -1.752 515 HD23 LEU 76 HD23 LEU 76 2.993 -6.861 -1.598 516 H LYS 77 H LYS 77 5.628 -11.024 0.628 517 HA LYS 77 HA LYS 77 8.062 -11.405 2.184 518 HB2 LYS 77 HB2 LYS 77 7.389 -13.609 3.082 519 HB3 LYS 77 HB3 LYS 77 6.335 -12.340 3.701 520 HG2 LYS 77 HG2 LYS 77 4.608 -12.994 2.022 521 HG3 LYS 77 HG3 LYS 77 5.656 -14.316 1.492 522 HD2 LYS 77 HD2 LYS 77 5.541 -15.337 3.731 523 HD3 LYS 77 HD3 LYS 77 4.567 -13.986 4.321 524 HE2 LYS 77 HE2 LYS 77 3.169 -15.949 3.847 525 HE3 LYS 77 HE3 LYS 77 2.752 -14.615 2.771 526 HZ1 LYS 77 HZ1 LYS 77 4.540 -16.869 2.029 527 HZ2 LYS 77 HZ2 LYS 77 3.949 -15.650 1.008 528 HZ3 LYS 77 HZ3 LYS 77 2.891 -16.789 1.658 529 H HIS 78 H HIS 78 9.184 -13.490 1.403 530 HA HIS 78 HA HIS 78 9.150 -13.510 -1.475 531 HB2 HIS 78 HB2 HIS 78 10.683 -15.258 0.487 532 HB3 HIS 78 HB3 HIS 78 10.925 -15.286 -1.258 533 HD1 HIS 78 HD1 HIS 78 13.272 -14.558 0.539 534 HD2 HIS 78 HD2 HIS 78 10.674 -11.726 -1.051 535 HE1 HIS 78 HE1 HIS 78 14.545 -12.400 0.534 536 HE2 HIS 78 HE2 HIS 78 12.835 -10.679 -0.112 537 H GLY 79 H GLY 79 7.755 -14.543 -2.704 538 HA2 GLY 79 HA2 GLY 79 6.543 -17.135 -1.853 539 HA3 GLY 79 HA3 GLY 79 5.698 -15.929 -2.817 540 H LEU 80 H LEU 80 8.946 -16.093 -3.584 541 HA LEU 80 HA LEU 80 8.955 -18.240 -5.511 542 HB2 LEU 80 HB2 LEU 80 7.773 -16.457 -6.772 543 HB3 LEU 80 HB3 LEU 80 9.058 -15.322 -6.403 544 HG LEU 80 HG LEU 80 10.639 -16.770 -7.761 545 HD11 LEU 80 HD11 LEU 80 9.436 -18.886 -7.660 546 HD12 LEU 80 HD12 LEU 80 9.733 -18.415 -9.329 547 HD13 LEU 80 HD13 LEU 80 8.123 -18.214 -8.630 548 HD21 LEU 80 HD21 LEU 80 9.666 -14.734 -8.717 549 HD22 LEU 80 HD22 LEU 80 8.270 -15.650 -9.292 550 HD23 LEU 80 HD23 LEU 80 9.878 -15.979 -9.947 551 H GLU 81 H GLU 81 11.071 -18.946 -5.716 552 HA GLU 81 HA GLU 81 13.214 -17.733 -4.212 553 HB2 GLU 81 HB2 GLU 81 13.014 -20.191 -4.492 554 HB3 GLU 81 HB3 GLU 81 13.262 -20.028 -6.226 555 HG2 GLU 81 HG2 GLU 81 15.557 -19.165 -5.799 556 HG3 GLU 81 HG3 GLU 81 15.296 -19.367 -4.068 557 H HIS 82 H HIS 82 15.308 -17.045 -5.165 558 HA HIS 82 HA HIS 82 15.005 -15.034 -7.138 559 HB2 HIS 82 HB2 HIS 82 17.569 -16.221 -5.999 560 HB3 HIS 82 HB3 HIS 82 17.458 -14.713 -6.907 561 HD1 HIS 82 HD1 HIS 82 16.576 -12.649 -5.659 562 HD2 HIS 82 HD2 HIS 82 16.589 -16.085 -3.332 563 HE1 HIS 82 HE1 HIS 82 16.197 -11.870 -3.311 564 HE2 HIS 82 HE2 HIS 82 16.434 -13.944 -1.908 565 H HIS 83 H HIS 83 14.159 -16.152 -8.948 566 HA HIS 83 HA HIS 83 16.193 -17.352 -10.745 567 HB2 HIS 83 HB2 HIS 83 13.209 -17.949 -10.506 568 HB3 HIS 83 HB3 HIS 83 14.130 -18.359 -11.951 569 HD1 HIS 83 HD1 HIS 83 14.950 -20.688 -11.955 570 HD2 HIS 83 HD2 HIS 83 14.538 -19.249 -8.077 571 HE1 HIS 83 HE1 HIS 83 15.539 -22.607 -10.454 572 HE2 HIS 83 HE2 HIS 83 15.416 -21.672 -8.131 573 H HIS 84 H HIS 84 16.751 -15.963 -12.323 574 HA HIS 84 HA HIS 84 14.888 -14.081 -13.503 575 HB2 HIS 84 HB2 HIS 84 16.162 -12.047 -12.790 576 HB3 HIS 84 HB3 HIS 84 15.383 -12.871 -11.450 577 HD1 HIS 84 HD1 HIS 84 18.494 -11.352 -12.309 578 HD2 HIS 84 HD2 HIS 84 17.399 -14.625 -10.002 579 HE1 HIS 84 HE1 HIS 84 20.465 -11.832 -10.843 580 HE2 HIS 84 HE2 HIS 84 19.850 -13.936 -9.618 581 H HIS 85 H HIS 85 15.399 -13.802 -15.572 582 HA HIS 85 HA HIS 85 18.112 -14.339 -16.610 583 HB2 HIS 85 HB2 HIS 85 16.101 -15.409 -17.685 584 HB3 HIS 85 HB3 HIS 85 15.499 -13.809 -18.106 585 HD1 HIS 85 HD1 HIS 85 16.133 -13.039 -20.387 586 HD2 HIS 85 HD2 HIS 85 18.750 -15.936 -18.978 587 HE1 HIS 85 HE1 HIS 85 17.668 -13.540 -22.299 588 HE2 HIS 85 HE2 HIS 85 19.331 -15.176 -21.375 589 H HIS 86 H HIS 86 15.611 -11.794 -16.595 590 HA HIS 86 HA HIS 86 17.643 -9.725 -17.258 591 HB2 HIS 86 HB2 HIS 86 15.818 -10.007 -18.968 592 HB3 HIS 86 HB3 HIS 86 14.627 -9.619 -17.731 593 HD1 HIS 86 HD1 HIS 86 14.036 -7.191 -17.517 594 HD2 HIS 86 HD2 HIS 86 17.653 -7.739 -19.505 595 HE1 HIS 86 HE1 HIS 86 14.748 -4.909 -18.278 596 HE2 HIS 86 HE2 HIS 86 16.886 -5.275 -19.539 597 H HIS 87 H HIS 87 17.477 -7.673 -16.100 598 HA HIS 87 HA HIS 87 16.219 -7.880 -13.418 599 HB2 HIS 87 HB2 HIS 87 18.741 -7.650 -13.551 600 HB3 HIS 87 HB3 HIS 87 18.517 -6.061 -14.270 601 HD1 HIS 87 HD1 HIS 87 17.999 -7.925 -11.024 602 HD2 HIS 87 HD2 HIS 87 18.043 -4.011 -12.422 603 HE1 HIS 87 HE1 HIS 87 17.950 -6.477 -8.983 604 HE2 HIS 87 HE2 HIS 87 17.749 -4.136 -9.863 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -7.974 22.899 0.273 2 H2 MET 1 H2 MET 1 -6.723 23.259 -0.804 3 H3 MET 1 H3 MET 1 -6.909 24.171 0.601 4 HA MET 1 HA MET 1 -5.066 22.619 0.741 5 HB2 MET 1 HB2 MET 1 -5.766 21.597 2.964 6 HB3 MET 1 HB3 MET 1 -6.019 23.328 2.827 7 HG2 MET 1 HG2 MET 1 -8.417 22.969 2.449 8 HG3 MET 1 HG3 MET 1 -8.183 21.224 2.518 9 HE1 MET 1 HE1 MET 1 -6.132 20.821 4.896 10 HE2 MET 1 HE2 MET 1 -7.619 19.876 4.772 11 HE3 MET 1 HE3 MET 1 -7.208 20.678 6.286 12 H ASP 2 H ASP 2 -5.491 21.380 -1.426 13 HA ASP 2 HA ASP 2 -6.761 18.813 -1.328 14 HB2 ASP 2 HB2 ASP 2 -6.138 20.224 -3.426 15 HB3 ASP 2 HB3 ASP 2 -4.513 19.569 -3.251 16 H GLU 3 H GLU 3 -6.045 17.093 -0.163 17 HA GLU 3 HA GLU 3 -3.271 17.080 0.859 18 HB2 GLU 3 HB2 GLU 3 -5.708 15.554 1.861 19 HB3 GLU 3 HB3 GLU 3 -4.100 15.492 2.584 20 HG2 GLU 3 HG2 GLU 3 -4.278 17.976 3.002 21 HG3 GLU 3 HG3 GLU 3 -5.954 17.891 2.454 22 H ASP 4 H ASP 4 -2.056 15.154 0.959 23 HA ASP 4 HA ASP 4 -2.674 13.171 -1.153 24 HB2 ASP 4 HB2 ASP 4 -0.067 12.944 -1.244 25 HB3 ASP 4 HB3 ASP 4 -0.832 14.317 -2.026 26 H ALA 5 H ALA 5 -1.551 11.099 -0.907 27 HA ALA 5 HA ALA 5 -1.106 10.121 1.825 28 HB1 ALA 5 HB1 ALA 5 -3.538 9.816 1.385 29 HB2 ALA 5 HB2 ALA 5 -2.698 8.275 1.556 30 HB3 ALA 5 HB3 ALA 5 -3.155 8.856 -0.050 31 H THR 6 H THR 6 0.507 8.577 1.858 32 HA THR 6 HA THR 6 1.702 7.773 -0.736 33 HB THR 6 HB THR 6 3.753 7.209 0.778 34 HG1 THR 6 HG1 THR 6 2.313 8.936 2.547 35 HG21 THR 6 HG21 THR 6 2.941 10.113 0.447 36 HG22 THR 6 HG22 THR 6 3.764 9.128 -0.761 37 HG23 THR 6 HG23 THR 6 4.577 9.531 0.752 38 H ILE 7 H ILE 7 2.260 5.640 -1.159 39 HA ILE 7 HA ILE 7 1.269 3.543 0.704 40 HB ILE 7 HB ILE 7 1.384 3.470 -2.359 41 HG12 ILE 7 HG12 ILE 7 -1.149 2.849 -1.994 42 HG13 ILE 7 HG13 ILE 7 -0.940 3.511 -0.381 43 HG21 ILE 7 HG21 ILE 7 0.496 1.159 -2.213 44 HG22 ILE 7 HG22 ILE 7 0.676 1.202 -0.458 45 HG23 ILE 7 HG23 ILE 7 2.103 1.291 -1.494 46 HD11 ILE 7 HD11 ILE 7 -0.364 5.686 -1.381 47 HD12 ILE 7 HD12 ILE 7 -1.960 5.117 -1.864 48 HD13 ILE 7 HD13 ILE 7 -0.606 4.995 -2.988 49 H THR 8 H THR 8 2.875 2.397 1.601 50 HA THR 8 HA THR 8 5.592 2.386 0.416 51 HB THR 8 HB THR 8 4.760 2.120 3.345 52 HG1 THR 8 HG1 THR 8 4.861 4.211 3.345 53 HG21 THR 8 HG21 THR 8 6.844 0.860 2.919 54 HG22 THR 8 HG22 THR 8 7.177 2.305 3.876 55 HG23 THR 8 HG23 THR 8 7.559 2.281 2.153 56 H TYR 9 H TYR 9 5.799 0.453 -0.667 57 HA TYR 9 HA TYR 9 4.842 -2.077 0.365 58 HB2 TYR 9 HB2 TYR 9 6.673 -1.345 -1.961 59 HB3 TYR 9 HB3 TYR 9 6.316 -3.016 -1.539 60 HD1 TYR 9 HD2 TYR 9 4.693 0.199 -2.613 61 HD2 TYR 9 HD1 TYR 9 4.294 -4.051 -2.285 62 HE1 TYR 9 HE2 TYR 9 2.606 0.289 -3.897 63 HE2 TYR 9 HE1 TYR 9 2.209 -3.948 -3.571 64 HH TYR 9 HH TYR 9 0.412 -2.138 -3.963 65 H VAL 10 H VAL 10 5.912 -3.491 1.660 66 HA VAL 10 HA VAL 10 8.770 -3.060 2.330 67 HB VAL 10 HB VAL 10 8.303 -3.546 4.708 68 HG11 VAL 10 HG11 VAL 10 7.243 -1.414 5.359 69 HG12 VAL 10 HG12 VAL 10 6.674 -1.187 3.701 70 HG13 VAL 10 HG13 VAL 10 8.406 -1.193 4.048 71 HG21 VAL 10 HG21 VAL 10 5.356 -3.503 3.950 72 HG22 VAL 10 HG22 VAL 10 5.987 -3.572 5.598 73 HG23 VAL 10 HG23 VAL 10 6.277 -4.911 4.487 74 H ASP 11 H ASP 11 9.860 -4.961 3.167 75 HA ASP 11 HA ASP 11 8.610 -7.558 2.469 76 HB2 ASP 11 HB2 ASP 11 10.475 -6.971 0.962 77 HB3 ASP 11 HB3 ASP 11 11.545 -6.712 2.336 78 H ASP 12 H ASP 12 7.844 -8.168 4.388 79 HA ASP 12 HA ASP 12 8.878 -7.801 6.966 80 HB2 ASP 12 HB2 ASP 12 6.922 -9.862 5.870 81 HB3 ASP 12 HB3 ASP 12 7.205 -9.593 7.591 82 H ASP 13 H ASP 13 9.733 -10.180 4.556 83 HA ASP 13 HA ASP 13 10.910 -12.205 6.131 84 HB2 ASP 13 HB2 ASP 13 10.414 -12.449 3.726 85 HB3 ASP 13 HB3 ASP 13 11.596 -11.213 3.332 86 H LYS 14 H LYS 14 12.015 -8.982 5.264 87 HA LYS 14 HA LYS 14 14.553 -9.375 6.741 88 HB2 LYS 14 HB2 LYS 14 14.039 -7.559 4.344 89 HB3 LYS 14 HB3 LYS 14 15.524 -7.554 5.291 90 HG2 LYS 14 HG2 LYS 14 14.463 -9.818 3.568 91 HG3 LYS 14 HG3 LYS 14 15.882 -8.811 3.257 92 HD2 LYS 14 HD2 LYS 14 16.957 -9.744 5.321 93 HD3 LYS 14 HD3 LYS 14 15.551 -10.791 5.549 94 HE2 LYS 14 HE2 LYS 14 17.301 -12.085 4.520 95 HE3 LYS 14 HE3 LYS 14 16.038 -11.826 3.318 96 HZ1 LYS 14 HZ1 LYS 14 17.369 -10.042 2.368 97 HZ2 LYS 14 HZ2 LYS 14 18.240 -11.490 2.384 98 HZ3 LYS 14 HZ3 LYS 14 18.577 -10.294 3.526 99 H GLY 15 H GLY 15 11.925 -8.634 7.769 100 HA2 GLY 15 HA2 GLY 15 11.102 -7.296 9.443 101 HA3 GLY 15 HA3 GLY 15 12.701 -6.591 9.577 102 H GLY 16 H GLY 16 10.478 -6.505 6.792 103 HA2 GLY 16 HA2 GLY 16 9.182 -4.805 5.912 104 HA3 GLY 16 HA3 GLY 16 9.594 -3.788 7.282 105 H ALA 17 H ALA 17 11.700 -5.354 4.826 106 HA ALA 17 HA ALA 17 13.174 -2.936 4.266 107 HB1 ALA 17 HB1 ALA 17 14.239 -5.160 4.189 108 HB2 ALA 17 HB2 ALA 17 14.381 -4.349 2.629 109 HB3 ALA 17 HB3 ALA 17 13.185 -5.630 2.852 110 H GLN 18 H GLN 18 12.719 -1.394 2.700 111 HA GLN 18 HA GLN 18 10.191 -1.329 1.460 112 HB2 GLN 18 HB2 GLN 18 11.413 0.737 2.012 113 HB3 GLN 18 HB3 GLN 18 12.642 0.356 0.808 114 HG2 GLN 18 HG2 GLN 18 10.870 0.487 -0.969 115 HG3 GLN 18 HG3 GLN 18 9.724 1.012 0.264 116 HE21 GLN 18 HE21 GLN 18 10.703 2.374 -2.157 117 HE22 GLN 18 HE22 GLN 18 11.317 3.892 -1.614 118 H VAL 19 H VAL 19 9.428 -2.130 -0.379 119 HA VAL 19 HA VAL 19 11.233 -3.425 -2.322 120 HB VAL 19 HB VAL 19 8.212 -3.799 -2.023 121 HG11 VAL 19 HG11 VAL 19 9.038 -4.390 -4.252 122 HG12 VAL 19 HG12 VAL 19 8.552 -5.841 -3.375 123 HG13 VAL 19 HG13 VAL 19 10.266 -5.448 -3.548 124 HG21 VAL 19 HG21 VAL 19 10.429 -5.565 -0.910 125 HG22 VAL 19 HG22 VAL 19 8.701 -5.934 -0.874 126 HG23 VAL 19 HG23 VAL 19 9.327 -4.557 0.033 127 H GLY 20 H GLY 20 11.701 -2.180 -4.044 128 HA2 GLY 20 HA2 GLY 20 11.415 -0.991 -5.989 129 HA3 GLY 20 HA3 GLY 20 9.676 -1.096 -5.768 130 H ASP 21 H ASP 21 8.600 0.745 -5.155 131 HA ASP 21 HA ASP 21 10.071 3.132 -4.232 132 HB2 ASP 21 HB2 ASP 21 10.218 3.117 -6.717 133 HB3 ASP 21 HB3 ASP 21 8.467 3.013 -6.835 134 H ILE 22 H ILE 22 8.666 4.902 -3.554 135 HA ILE 22 HA ILE 22 6.205 4.003 -2.260 136 HB ILE 22 HB ILE 22 7.506 6.772 -2.145 137 HG12 ILE 22 HG12 ILE 22 9.130 5.087 -1.357 138 HG13 ILE 22 HG13 ILE 22 8.559 6.052 -0.004 139 HG21 ILE 22 HG21 ILE 22 6.241 7.037 -0.022 140 HG22 ILE 22 HG22 ILE 22 5.481 5.464 -0.281 141 HG23 ILE 22 HG23 ILE 22 5.165 6.790 -1.403 142 HD11 ILE 22 HD11 ILE 22 8.775 3.716 0.596 143 HD12 ILE 22 HD12 ILE 22 7.663 3.252 -0.689 144 HD13 ILE 22 HD13 ILE 22 7.086 4.214 0.675 145 H VAL 23 H VAL 23 4.132 4.641 -2.814 146 HA VAL 23 HA VAL 23 3.783 6.140 -5.352 147 HB VAL 23 HB VAL 23 1.773 4.273 -3.993 148 HG11 VAL 23 HG11 VAL 23 0.724 5.908 -5.504 149 HG12 VAL 23 HG12 VAL 23 0.615 4.281 -6.174 150 HG13 VAL 23 HG13 VAL 23 1.802 5.418 -6.816 151 HG21 VAL 23 HG21 VAL 23 2.399 2.562 -5.665 152 HG22 VAL 23 HG22 VAL 23 3.766 2.983 -4.631 153 HG23 VAL 23 HG23 VAL 23 3.678 3.618 -6.275 154 H THR 24 H THR 24 3.464 8.300 -4.812 155 HA THR 24 HA THR 24 1.622 9.043 -2.634 156 HB THR 24 HB THR 24 3.091 10.929 -4.535 157 HG1 THR 24 HG1 THR 24 4.572 9.636 -3.315 158 HG21 THR 24 HG21 THR 24 1.860 11.409 -1.784 159 HG22 THR 24 HG22 THR 24 1.203 11.987 -3.319 160 HG23 THR 24 HG23 THR 24 2.749 12.603 -2.733 161 H VAL 25 H VAL 25 -0.486 9.438 -3.005 162 HA VAL 25 HA VAL 25 -1.438 10.291 -5.686 163 HB VAL 25 HB VAL 25 -3.624 9.128 -5.170 164 HG11 VAL 25 HG11 VAL 25 -1.976 8.012 -6.614 165 HG12 VAL 25 HG12 VAL 25 -2.860 6.828 -5.651 166 HG13 VAL 25 HG13 VAL 25 -1.210 7.274 -5.202 167 HG21 VAL 25 HG21 VAL 25 -3.490 9.036 -2.713 168 HG22 VAL 25 HG22 VAL 25 -2.118 7.928 -2.803 169 HG23 VAL 25 HG23 VAL 25 -3.709 7.414 -3.372 170 H THR 26 H THR 26 -3.080 11.938 -5.710 171 HA THR 26 HA THR 26 -3.338 13.472 -3.165 172 HB THR 26 HB THR 26 -3.713 15.501 -4.699 173 HG1 THR 26 HG1 THR 26 -3.420 15.290 -6.797 174 HG21 THR 26 HG21 THR 26 -0.975 14.187 -4.812 175 HG22 THR 26 HG22 THR 26 -1.587 15.204 -3.503 176 HG23 THR 26 HG23 THR 26 -1.320 15.894 -5.104 177 H GLY 27 H GLY 27 -5.273 14.622 -2.747 178 HA2 GLY 27 HA2 GLY 27 -7.695 14.492 -4.160 179 HA3 GLY 27 HA3 GLY 27 -7.623 13.084 -3.108 180 H LYS 28 H LYS 28 -8.917 13.462 -1.363 181 HA LYS 28 HA LYS 28 -9.051 16.191 -0.197 182 HB2 LYS 28 HB2 LYS 28 -10.892 15.411 -2.006 183 HB3 LYS 28 HB3 LYS 28 -11.594 14.603 -0.618 184 HG2 LYS 28 HG2 LYS 28 -12.698 16.707 -0.883 185 HG3 LYS 28 HG3 LYS 28 -11.679 16.827 0.551 186 HD2 LYS 28 HD2 LYS 28 -11.522 18.885 -0.786 187 HD3 LYS 28 HD3 LYS 28 -9.966 18.052 -0.764 188 HE2 LYS 28 HE2 LYS 28 -10.383 17.169 -3.017 189 HE3 LYS 28 HE3 LYS 28 -11.989 17.895 -3.031 190 HZ1 LYS 28 HZ1 LYS 28 -10.397 19.208 -4.274 191 HZ2 LYS 28 HZ2 LYS 28 -9.427 19.390 -2.901 192 HZ3 LYS 28 HZ3 LYS 28 -10.970 20.076 -2.944 193 H THR 29 H THR 29 -9.247 16.242 1.996 194 HA THR 29 HA THR 29 -8.590 14.377 3.806 195 HB THR 29 HB THR 29 -10.748 16.434 4.471 196 HG1 THR 29 HG1 THR 29 -7.999 16.991 4.725 197 HG21 THR 29 HG21 THR 29 -8.500 15.285 6.173 198 HG22 THR 29 HG22 THR 29 -10.207 14.859 6.315 199 HG23 THR 29 HG23 THR 29 -9.672 16.497 6.694 200 H ASP 30 H ASP 30 -12.008 15.038 2.980 201 HA ASP 30 HA ASP 30 -13.060 12.961 4.677 202 HB2 ASP 30 HB2 ASP 30 -14.355 14.758 2.591 203 HB3 ASP 30 HB3 ASP 30 -15.260 13.585 3.546 204 H ASP 31 H ASP 31 -12.195 13.158 1.263 205 HA ASP 31 HA ASP 31 -13.716 10.792 0.507 206 HB2 ASP 31 HB2 ASP 31 -11.855 12.615 -1.061 207 HB3 ASP 31 HB3 ASP 31 -12.618 11.189 -1.762 208 H SER 32 H SER 32 -12.936 8.810 -0.069 209 HA SER 32 HA SER 32 -10.070 8.179 0.407 210 HB2 SER 32 HB2 SER 32 -10.849 5.791 0.559 211 HB3 SER 32 HB3 SER 32 -11.617 6.828 1.763 212 HG SER 32 HG SER 32 -12.785 6.032 -0.713 213 H THR 33 H THR 33 -8.846 7.461 -1.245 214 HA THR 33 HA THR 33 -9.959 7.248 -3.993 215 HB THR 33 HB THR 33 -7.934 8.693 -3.608 216 HG1 THR 33 HG1 THR 33 -7.700 8.238 -5.646 217 HG21 THR 33 HG21 THR 33 -6.760 7.295 -1.906 218 HG22 THR 33 HG22 THR 33 -5.720 7.669 -3.282 219 HG23 THR 33 HG23 THR 33 -6.453 6.071 -3.143 220 H THR 34 H THR 34 -9.199 5.416 -5.428 221 HA THR 34 HA THR 34 -8.627 2.918 -3.911 222 HB THR 34 HB THR 34 -9.635 1.621 -5.738 223 HG1 THR 34 HG1 THR 34 -10.922 3.513 -7.138 224 HG21 THR 34 HG21 THR 34 -11.160 2.384 -3.935 225 HG22 THR 34 HG22 THR 34 -11.996 2.241 -5.483 226 HG23 THR 34 HG23 THR 34 -11.534 3.832 -4.877 227 H TYR 35 H TYR 35 -6.496 2.530 -4.024 228 HA TYR 35 HA TYR 35 -5.079 2.689 -6.629 229 HB2 TYR 35 HB2 TYR 35 -3.865 4.003 -5.020 230 HB3 TYR 35 HB3 TYR 35 -4.051 2.787 -3.762 231 HD1 TYR 35 HD2 TYR 35 -2.406 3.295 -7.118 232 HD2 TYR 35 HD1 TYR 35 -2.275 1.256 -3.361 233 HE1 TYR 35 HE2 TYR 35 -0.243 2.308 -7.729 234 HE2 TYR 35 HE1 TYR 35 -0.116 0.262 -3.978 235 HH TYR 35 HH TYR 35 1.715 1.318 -6.667 236 H THR 36 H THR 36 -4.657 0.775 -7.624 237 HA THR 36 HA THR 36 -5.259 -1.744 -6.311 238 HB THR 36 HB THR 36 -5.934 -1.572 -8.632 239 HG1 THR 36 HG1 THR 36 -3.726 -3.379 -8.523 240 HG21 THR 36 HG21 THR 36 -4.338 -1.422 -10.505 241 HG22 THR 36 HG22 THR 36 -3.002 -1.219 -9.372 242 HG23 THR 36 HG23 THR 36 -4.252 0.023 -9.494 243 H VAL 37 H VAL 37 -3.852 -3.245 -5.584 244 HA VAL 37 HA VAL 37 -1.162 -2.471 -4.940 245 HB VAL 37 HB VAL 37 -2.537 -5.171 -4.503 246 HG11 VAL 37 HG11 VAL 37 -0.077 -4.007 -3.139 247 HG12 VAL 37 HG12 VAL 37 -0.099 -5.343 -4.294 248 HG13 VAL 37 HG13 VAL 37 -0.866 -5.532 -2.717 249 HG21 VAL 37 HG21 VAL 37 -2.371 -2.802 -2.596 250 HG22 VAL 37 HG22 VAL 37 -3.048 -4.388 -2.213 251 HG23 VAL 37 HG23 VAL 37 -3.822 -3.370 -3.427 252 H THR 38 H THR 38 0.657 -2.946 -6.047 253 HA THR 38 HA THR 38 0.559 -4.737 -8.400 254 HB THR 38 HB THR 38 2.493 -2.441 -7.797 255 HG1 THR 38 HG1 THR 38 0.685 -1.431 -8.418 256 HG21 THR 38 HG21 THR 38 2.196 -4.115 -10.329 257 HG22 THR 38 HG22 THR 38 3.556 -4.186 -9.204 258 HG23 THR 38 HG23 THR 38 3.261 -2.718 -10.136 259 H ILE 39 H ILE 39 1.247 -6.713 -7.722 260 HA ILE 39 HA ILE 39 3.322 -7.062 -5.696 261 HB ILE 39 HB ILE 39 1.780 -9.173 -7.281 262 HG12 ILE 39 HG12 ILE 39 0.250 -7.842 -5.871 263 HG13 ILE 39 HG13 ILE 39 0.410 -9.463 -5.209 264 HG21 ILE 39 HG21 ILE 39 3.525 -9.511 -4.805 265 HG22 ILE 39 HG22 ILE 39 3.895 -10.092 -6.430 266 HG23 ILE 39 HG23 ILE 39 2.535 -10.778 -5.538 267 HD11 ILE 39 HD11 ILE 39 1.767 -6.976 -4.167 268 HD12 ILE 39 HD12 ILE 39 1.946 -8.599 -3.497 269 HD13 ILE 39 HD13 ILE 39 0.379 -7.795 -3.453 270 HA PRO 40 HA PRO 40 6.421 -7.476 -9.084 271 HB2 PRO 40 HB2 PRO 40 8.653 -7.230 -7.547 272 HB3 PRO 40 HB3 PRO 40 7.667 -5.831 -7.995 273 HG2 PRO 40 HG2 PRO 40 7.663 -7.397 -5.417 274 HG3 PRO 40 HG3 PRO 40 7.641 -5.638 -5.649 275 HD2 PRO 40 HD2 PRO 40 5.384 -7.099 -5.109 276 HD3 PRO 40 HD3 PRO 40 5.354 -5.590 -6.051 277 H ASP 41 H ASP 41 7.932 -9.115 -9.668 278 HA ASP 41 HA ASP 41 7.230 -11.747 -8.882 279 HB2 ASP 41 HB2 ASP 41 8.040 -11.089 -11.172 280 HB3 ASP 41 HB3 ASP 41 9.656 -10.848 -10.509 281 H GLY 42 H GLY 42 8.183 -13.214 -7.503 282 HA2 GLY 42 HA2 GLY 42 9.890 -14.178 -6.168 283 HA3 GLY 42 HA3 GLY 42 10.777 -12.664 -6.197 284 H TYR 43 H TYR 43 8.191 -11.194 -5.488 285 HA TYR 43 HA TYR 43 8.286 -11.625 -2.565 286 HB2 TYR 43 HB2 TYR 43 7.215 -9.249 -4.166 287 HB3 TYR 43 HB3 TYR 43 7.321 -9.345 -2.407 288 HD1 TYR 43 HD2 TYR 43 9.320 -9.068 -5.538 289 HD2 TYR 43 HD1 TYR 43 9.434 -8.947 -1.259 290 HE1 TYR 43 HE2 TYR 43 11.591 -8.158 -5.627 291 HE2 TYR 43 HE1 TYR 43 11.713 -8.033 -1.356 292 HH TYR 43 HH TYR 43 13.083 -6.766 -4.135 293 H GLU 44 H GLU 44 6.375 -11.853 -1.381 294 HA GLU 44 HA GLU 44 3.953 -12.689 -2.870 295 HB2 GLU 44 HB2 GLU 44 5.637 -14.507 -1.795 296 HB3 GLU 44 HB3 GLU 44 4.760 -14.127 -0.324 297 HG2 GLU 44 HG2 GLU 44 3.594 -15.242 -2.897 298 HG3 GLU 44 HG3 GLU 44 3.851 -16.123 -1.395 299 H TYR 45 H TYR 45 2.041 -11.970 -2.049 300 HA TYR 45 HA TYR 45 2.030 -9.702 -0.349 301 HB2 TYR 45 HB2 TYR 45 0.540 -10.012 -2.297 302 HB3 TYR 45 HB3 TYR 45 -0.266 -11.344 -1.490 303 HD1 TYR 45 HD2 TYR 45 0.479 -7.676 -0.904 304 HD2 TYR 45 HD1 TYR 45 -2.343 -10.869 -0.455 305 HE1 TYR 45 HE2 TYR 45 -1.188 -6.092 -0.034 306 HE2 TYR 45 HE1 TYR 45 -4.003 -9.278 0.412 307 HH TYR 45 HH TYR 45 -4.061 -7.078 1.489 308 H VAL 46 H VAL 46 2.131 -9.724 1.835 309 HA VAL 46 HA VAL 46 1.158 -11.913 3.486 310 HB VAL 46 HB VAL 46 2.125 -9.153 4.387 311 HG11 VAL 46 HG11 VAL 46 2.523 -10.178 6.596 312 HG12 VAL 46 HG12 VAL 46 1.872 -11.710 6.013 313 HG13 VAL 46 HG13 VAL 46 0.822 -10.297 6.136 314 HG21 VAL 46 HG21 VAL 46 4.320 -10.155 4.828 315 HG22 VAL 46 HG22 VAL 46 3.894 -10.287 3.121 316 HG23 VAL 46 HG23 VAL 46 3.756 -11.694 4.174 317 H GLY 47 H GLY 47 0.396 -8.467 3.047 318 HA2 GLY 47 HA2 GLY 47 -2.357 -8.481 3.095 319 HA3 GLY 47 HA3 GLY 47 -1.889 -8.454 4.795 320 H THR 48 H THR 48 -3.154 -6.364 4.554 321 HA THR 48 HA THR 48 -1.351 -4.104 3.830 322 HB THR 48 HB THR 48 -4.338 -4.394 3.319 323 HG1 THR 48 HG1 THR 48 -3.607 -4.763 1.394 324 HG21 THR 48 HG21 THR 48 -4.393 -2.047 2.552 325 HG22 THR 48 HG22 THR 48 -2.734 -1.818 3.105 326 HG23 THR 48 HG23 THR 48 -4.017 -2.133 4.275 327 H ASP 49 H ASP 49 -1.075 -2.602 5.357 328 HA ASP 49 HA ASP 49 -2.777 -2.575 7.790 329 HB2 ASP 49 HB2 ASP 49 -0.450 -3.523 8.131 330 HB3 ASP 49 HB3 ASP 49 0.215 -1.973 7.634 331 H GLY 50 H GLY 50 -3.802 -0.641 8.075 332 HA2 GLY 50 HA2 GLY 50 -4.012 1.736 8.088 333 HA3 GLY 50 HA3 GLY 50 -2.738 1.861 6.879 334 H GLY 51 H GLY 51 -5.413 3.095 6.805 335 HA2 GLY 51 HA2 GLY 51 -7.157 3.459 5.381 336 HA3 GLY 51 HA3 GLY 51 -6.274 2.530 4.177 337 H VAL 52 H VAL 52 -8.359 1.719 3.472 338 HA VAL 52 HA VAL 52 -9.233 -0.651 5.052 339 HB VAL 52 HB VAL 52 -11.027 1.002 3.191 340 HG11 VAL 52 HG11 VAL 52 -11.742 -1.360 4.979 341 HG12 VAL 52 HG12 VAL 52 -11.642 -1.388 3.218 342 HG13 VAL 52 HG13 VAL 52 -12.882 -0.415 4.013 343 HG21 VAL 52 HG21 VAL 52 -11.087 0.870 6.231 344 HG22 VAL 52 HG22 VAL 52 -12.260 1.713 5.214 345 HG23 VAL 52 HG23 VAL 52 -10.581 2.254 5.259 346 H VAL 53 H VAL 53 -8.274 -2.355 4.009 347 HA VAL 53 HA VAL 53 -7.727 -2.350 1.166 348 HB VAL 53 HB VAL 53 -6.201 -3.526 2.708 349 HG11 VAL 53 HG11 VAL 53 -6.790 -5.680 3.756 350 HG12 VAL 53 HG12 VAL 53 -8.459 -5.488 3.215 351 HG13 VAL 53 HG13 VAL 53 -7.774 -4.352 4.378 352 HG21 VAL 53 HG21 VAL 53 -7.486 -5.456 0.734 353 HG22 VAL 53 HG22 VAL 53 -5.862 -5.598 1.418 354 HG23 VAL 53 HG23 VAL 53 -6.253 -4.249 0.350 355 H SER 54 H SER 54 -8.773 -3.493 -0.447 356 HA SER 54 HA SER 54 -11.531 -3.955 -0.409 357 HB2 SER 54 HB2 SER 54 -10.359 -3.581 -2.512 358 HB3 SER 54 HB3 SER 54 -9.391 -5.034 -2.291 359 HG SER 54 HG SER 54 -11.574 -4.889 -3.627 360 H SER 55 H SER 55 -12.771 -5.924 -0.583 361 HA SER 55 HA SER 55 -12.137 -8.011 1.237 362 HB2 SER 55 HB2 SER 55 -14.186 -9.111 0.379 363 HB3 SER 55 HB3 SER 55 -14.464 -7.395 0.671 364 HG SER 55 HG SER 55 -14.794 -8.758 -1.589 365 H ASP 56 H ASP 56 -11.524 -7.627 -2.195 366 HA ASP 56 HA ASP 56 -10.744 -10.368 -2.728 367 HB2 ASP 56 HB2 ASP 56 -10.135 -7.835 -4.334 368 HB3 ASP 56 HB3 ASP 56 -10.077 -9.499 -4.923 369 H GLY 57 H GLY 57 -9.211 -7.645 -1.259 370 HA2 GLY 57 HA2 GLY 57 -7.070 -7.196 -0.542 371 HA3 GLY 57 HA3 GLY 57 -6.618 -8.829 -0.998 372 H LYS 58 H LYS 58 -7.965 -7.336 -3.677 373 HA LYS 58 HA LYS 58 -5.436 -7.179 -5.053 374 HB2 LYS 58 HB2 LYS 58 -7.379 -8.143 -6.181 375 HB3 LYS 58 HB3 LYS 58 -8.292 -6.657 -5.973 376 HG2 LYS 58 HG2 LYS 58 -7.524 -6.891 -8.286 377 HG3 LYS 58 HG3 LYS 58 -6.776 -5.483 -7.526 378 HD2 LYS 58 HD2 LYS 58 -4.694 -6.820 -7.157 379 HD3 LYS 58 HD3 LYS 58 -5.453 -8.201 -7.956 380 HE2 LYS 58 HE2 LYS 58 -4.794 -5.517 -9.218 381 HE3 LYS 58 HE3 LYS 58 -3.972 -7.051 -9.515 382 HZ1 LYS 58 HZ1 LYS 58 -5.511 -6.565 -11.278 383 HZ2 LYS 58 HZ2 LYS 58 -6.793 -6.416 -10.191 384 HZ3 LYS 58 HZ3 LYS 58 -6.052 -7.919 -10.427 385 H THR 59 H THR 59 -7.843 -4.839 -3.916 386 HA THR 59 HA THR 59 -6.029 -2.588 -4.636 387 HB THR 59 HB THR 59 -8.000 -1.107 -4.875 388 HG1 THR 59 HG1 THR 59 -10.088 -1.933 -4.734 389 HG21 THR 59 HG21 THR 59 -8.330 -3.600 -6.590 390 HG22 THR 59 HG22 THR 59 -7.228 -2.264 -6.925 391 HG23 THR 59 HG23 THR 59 -8.972 -1.995 -6.957 392 H VAL 60 H VAL 60 -6.151 -0.738 -3.180 393 HA VAL 60 HA VAL 60 -7.323 -1.191 -0.488 394 HB VAL 60 HB VAL 60 -4.664 0.231 -1.071 395 HG11 VAL 60 HG11 VAL 60 -6.025 -0.298 1.606 396 HG12 VAL 60 HG12 VAL 60 -5.842 1.275 0.823 397 HG13 VAL 60 HG13 VAL 60 -4.417 0.404 1.391 398 HG21 VAL 60 HG21 VAL 60 -3.579 -1.608 0.158 399 HG22 VAL 60 HG22 VAL 60 -4.424 -2.207 -1.269 400 HG23 VAL 60 HG23 VAL 60 -5.136 -2.426 0.332 401 H THR 61 H THR 61 -8.690 0.435 0.110 402 HA THR 61 HA THR 61 -8.775 2.935 -1.407 403 HB THR 61 HB THR 61 -10.884 3.416 -0.230 404 HG1 THR 61 HG1 THR 61 -9.983 1.521 1.502 405 HG21 THR 61 HG21 THR 61 -10.841 0.552 -1.254 406 HG22 THR 61 HG22 THR 61 -11.017 1.996 -2.255 407 HG23 THR 61 HG23 THR 61 -12.271 1.572 -1.087 408 H ILE 62 H ILE 62 -7.333 4.441 -0.744 409 HA ILE 62 HA ILE 62 -6.570 4.646 2.113 410 HB ILE 62 HB ILE 62 -5.199 6.138 -0.179 411 HG12 ILE 62 HG12 ILE 62 -3.362 4.218 0.201 412 HG13 ILE 62 HG13 ILE 62 -4.761 3.261 0.676 413 HG21 ILE 62 HG21 ILE 62 -4.744 7.013 2.051 414 HG22 ILE 62 HG22 ILE 62 -3.293 6.247 1.402 415 HG23 ILE 62 HG23 ILE 62 -4.260 5.411 2.619 416 HD11 ILE 62 HD11 ILE 62 -5.771 3.687 -1.517 417 HD12 ILE 62 HD12 ILE 62 -4.190 2.916 -1.652 418 HD13 ILE 62 HD13 ILE 62 -4.358 4.645 -1.971 419 H THR 63 H THR 63 -7.246 6.383 3.317 420 HA THR 63 HA THR 63 -8.647 8.603 1.953 421 HB THR 63 HB THR 63 -8.688 8.076 4.964 422 HG1 THR 63 HG1 THR 63 -10.891 7.179 4.255 423 HG21 THR 63 HG21 THR 63 -9.465 10.315 4.243 424 HG22 THR 63 HG22 THR 63 -10.825 9.353 4.822 425 HG23 THR 63 HG23 THR 63 -10.573 9.567 3.083 426 H PHE 64 H PHE 64 -8.016 10.755 2.283 427 HA PHE 64 HA PHE 64 -5.135 11.022 2.584 428 HB2 PHE 64 HB2 PHE 64 -7.212 13.089 1.738 429 HB3 PHE 64 HB3 PHE 64 -5.464 13.234 1.540 430 HD1 PHE 64 HD2 PHE 64 -4.274 11.797 -0.106 431 HD2 PHE 64 HD1 PHE 64 -8.531 11.706 0.214 432 HE1 PHE 64 HE2 PHE 64 -4.417 10.672 -2.271 433 HE2 PHE 64 HE1 PHE 64 -8.670 10.570 -1.955 434 HZ PHE 64 HZ PHE 64 -6.609 10.061 -3.203 435 H ALA 65 H ALA 65 -4.016 12.135 4.116 436 HA ALA 65 HA ALA 65 -5.410 13.812 6.115 437 HB1 ALA 65 HB1 ALA 65 -5.204 11.559 7.109 438 HB2 ALA 65 HB2 ALA 65 -4.192 12.723 7.965 439 HB3 ALA 65 HB3 ALA 65 -3.461 11.583 6.830 440 H ALA 66 H ALA 66 -4.173 15.507 6.953 441 HA ALA 66 HA ALA 66 -1.787 16.374 5.615 442 HB1 ALA 66 HB1 ALA 66 -3.060 17.432 8.164 443 HB2 ALA 66 HB2 ALA 66 -3.423 17.977 6.526 444 HB3 ALA 66 HB3 ALA 66 -1.821 18.253 7.209 445 H ASP 67 H ASP 67 -2.395 14.434 8.423 446 HA ASP 67 HA ASP 67 0.255 14.689 9.618 447 HB2 ASP 67 HB2 ASP 67 -2.043 12.785 10.278 448 HB3 ASP 67 HB3 ASP 67 -0.610 13.058 11.267 449 H ASP 68 H ASP 68 1.404 12.579 10.168 450 HA ASP 68 HA ASP 68 1.877 10.943 7.813 451 HB2 ASP 68 HB2 ASP 68 3.137 10.984 10.588 452 HB3 ASP 68 HB3 ASP 68 3.652 9.890 9.303 453 H SER 69 H SER 69 -0.721 10.729 9.434 454 HA SER 69 HA SER 69 -0.845 7.839 9.900 455 HB2 SER 69 HB2 SER 69 -3.028 9.971 10.022 456 HB3 SER 69 HB3 SER 69 -3.216 8.282 10.512 457 HG SER 69 HG SER 69 -2.634 9.052 12.389 458 H ASP 70 H ASP 70 -1.014 9.925 7.262 459 HA ASP 70 HA ASP 70 -3.143 9.007 5.666 460 HB2 ASP 70 HB2 ASP 70 -1.991 10.173 3.837 461 HB3 ASP 70 HB3 ASP 70 -1.853 11.129 5.311 462 H ASN 71 H ASN 71 0.125 7.816 6.081 463 HA ASN 71 HA ASN 71 0.274 6.447 3.580 464 HB2 ASN 71 HB2 ASN 71 2.533 5.688 4.447 465 HB3 ASN 71 HB3 ASN 71 2.285 7.421 4.336 466 HD21 ASN 71 HD21 ASN 71 2.104 8.629 6.236 467 HD22 ASN 71 HD22 ASN 71 2.624 8.011 7.761 468 H VAL 72 H VAL 72 -0.099 4.443 3.044 469 HA VAL 72 HA VAL 72 -0.931 2.434 5.046 470 HB VAL 72 HB VAL 72 -1.384 2.594 2.025 471 HG11 VAL 72 HG11 VAL 72 -2.324 0.425 3.944 472 HG12 VAL 72 HG12 VAL 72 -1.135 0.236 2.651 473 HG13 VAL 72 HG13 VAL 72 -2.815 0.586 2.252 474 HG21 VAL 72 HG21 VAL 72 -3.771 2.860 2.632 475 HG22 VAL 72 HG22 VAL 72 -2.775 4.154 3.302 476 HG23 VAL 72 HG23 VAL 72 -3.336 2.845 4.346 477 H VAL 73 H VAL 73 0.330 0.708 5.440 478 HA VAL 73 HA VAL 73 2.826 0.301 3.941 479 HB VAL 73 HB VAL 73 1.952 -1.095 6.527 480 HG11 VAL 73 HG11 VAL 73 4.375 -1.468 6.860 481 HG12 VAL 73 HG12 VAL 73 4.714 -0.686 5.313 482 HG13 VAL 73 HG13 VAL 73 3.801 -2.198 5.358 483 HG21 VAL 73 HG21 VAL 73 3.243 0.564 7.808 484 HG22 VAL 73 HG22 VAL 73 1.915 1.333 6.936 485 HG23 VAL 73 HG23 VAL 73 3.567 1.477 6.330 486 H ILE 74 H ILE 74 2.482 -1.036 2.171 487 HA ILE 74 HA ILE 74 0.704 -3.360 2.324 488 HB ILE 74 HB ILE 74 2.535 -2.544 0.012 489 HG12 ILE 74 HG12 ILE 74 0.877 -0.759 0.447 490 HG13 ILE 74 HG13 ILE 74 0.522 -1.574 -1.069 491 HG21 ILE 74 HG21 ILE 74 1.081 -4.036 -1.355 492 HG22 ILE 74 HG22 ILE 74 0.199 -4.508 0.099 493 HG23 ILE 74 HG23 ILE 74 1.907 -4.920 -0.070 494 HD11 ILE 74 HD11 ILE 74 -1.502 -1.078 0.151 495 HD12 ILE 74 HD12 ILE 74 -0.917 -1.970 1.553 496 HD13 ILE 74 HD13 ILE 74 -1.278 -2.825 0.052 497 H HIS 75 H HIS 75 1.437 -5.223 3.117 498 HA HIS 75 HA HIS 75 4.283 -5.591 3.676 499 HB2 HIS 75 HB2 HIS 75 1.781 -7.014 4.664 500 HB3 HIS 75 HB3 HIS 75 3.418 -7.476 5.131 501 HD1 HIS 75 HD1 HIS 75 4.680 -5.925 6.750 502 HD2 HIS 75 HD2 HIS 75 0.850 -4.596 5.848 503 HE1 HIS 75 HE1 HIS 75 4.182 -4.124 8.418 504 HE2 HIS 75 HE2 HIS 75 1.815 -3.452 7.959 505 H LEU 76 H LEU 76 5.559 -7.057 2.738 506 HA LEU 76 HA LEU 76 4.473 -9.222 1.025 507 HB2 LEU 76 HB2 LEU 76 6.851 -7.430 0.336 508 HB3 LEU 76 HB3 LEU 76 6.324 -8.821 -0.603 509 HG LEU 76 HG LEU 76 4.730 -6.256 -0.206 510 HD11 LEU 76 HD11 LEU 76 5.174 -5.794 -2.569 511 HD12 LEU 76 HD12 LEU 76 6.194 -7.232 -2.675 512 HD13 LEU 76 HD13 LEU 76 6.674 -5.882 -1.644 513 HD21 LEU 76 HD21 LEU 76 3.251 -8.205 -0.458 514 HD22 LEU 76 HD22 LEU 76 4.091 -8.660 -1.947 515 HD23 LEU 76 HD23 LEU 76 3.171 -7.155 -1.875 516 H LYS 77 H LYS 77 6.182 -10.948 0.641 517 HA LYS 77 HA LYS 77 8.499 -11.045 2.393 518 HB2 LYS 77 HB2 LYS 77 7.847 -13.022 3.683 519 HB3 LYS 77 HB3 LYS 77 6.649 -11.758 3.933 520 HG2 LYS 77 HG2 LYS 77 5.266 -12.960 2.099 521 HG3 LYS 77 HG3 LYS 77 6.378 -14.313 2.320 522 HD2 LYS 77 HD2 LYS 77 4.552 -13.095 4.428 523 HD3 LYS 77 HD3 LYS 77 4.335 -14.647 3.631 524 HE2 LYS 77 HE2 LYS 77 6.651 -13.952 5.466 525 HE3 LYS 77 HE3 LYS 77 5.212 -14.841 5.952 526 HZ1 LYS 77 HZ1 LYS 77 7.233 -15.700 3.965 527 HZ2 LYS 77 HZ2 LYS 77 5.798 -16.527 4.284 528 HZ3 LYS 77 HZ3 LYS 77 6.962 -16.366 5.496 529 H HIS 78 H HIS 78 9.980 -12.771 1.799 530 HA HIS 78 HA HIS 78 9.774 -13.547 -0.977 531 HB2 HIS 78 HB2 HIS 78 11.834 -14.391 1.106 532 HB3 HIS 78 HB3 HIS 78 11.973 -14.652 -0.632 533 HD1 HIS 78 HD1 HIS 78 13.808 -12.837 1.371 534 HD2 HIS 78 HD2 HIS 78 11.129 -11.504 -1.508 535 HE1 HIS 78 HE1 HIS 78 14.558 -10.528 0.782 536 HE2 HIS 78 HE2 HIS 78 12.757 -9.658 -0.737 537 H GLY 79 H GLY 79 8.819 -15.310 -1.782 538 HA2 GLY 79 HA2 GLY 79 8.657 -17.879 -0.501 539 HA3 GLY 79 HA3 GLY 79 7.139 -16.996 -0.377 540 H LEU 80 H LEU 80 7.949 -19.495 -1.879 541 HA LEU 80 HA LEU 80 7.746 -20.558 -3.865 542 HB2 LEU 80 HB2 LEU 80 5.420 -19.490 -3.712 543 HB3 LEU 80 HB3 LEU 80 6.006 -18.218 -4.766 544 HG LEU 80 HG LEU 80 6.401 -19.930 -6.563 545 HD11 LEU 80 HD11 LEU 80 5.053 -21.868 -4.661 546 HD12 LEU 80 HD12 LEU 80 6.733 -21.918 -5.199 547 HD13 LEU 80 HD13 LEU 80 5.434 -22.182 -6.358 548 HD21 LEU 80 HD21 LEU 80 4.313 -18.642 -6.569 549 HD22 LEU 80 HD22 LEU 80 3.544 -19.846 -5.530 550 HD23 LEU 80 HD23 LEU 80 4.041 -20.277 -7.170 551 H GLU 81 H GLU 81 10.070 -19.324 -3.524 552 HA GLU 81 HA GLU 81 10.656 -17.245 -5.433 553 HB2 GLU 81 HB2 GLU 81 11.594 -17.297 -3.102 554 HB3 GLU 81 HB3 GLU 81 12.536 -18.717 -3.543 555 HG2 GLU 81 HG2 GLU 81 13.928 -16.706 -3.595 556 HG3 GLU 81 HG3 GLU 81 13.780 -17.395 -5.213 557 H HIS 82 H HIS 82 12.245 -17.347 -7.076 558 HA HIS 82 HA HIS 82 11.879 -19.799 -8.641 559 HB2 HIS 82 HB2 HIS 82 12.890 -17.078 -9.568 560 HB3 HIS 82 HB3 HIS 82 12.205 -18.363 -10.568 561 HD1 HIS 82 HD1 HIS 82 11.222 -15.731 -8.036 562 HD2 HIS 82 HD2 HIS 82 9.390 -18.365 -10.690 563 HE1 HIS 82 HE1 HIS 82 8.787 -15.147 -8.004 564 HE2 HIS 82 HE2 HIS 82 7.688 -16.800 -9.537 565 H HIS 83 H HIS 83 13.604 -20.787 -9.871 566 HA HIS 83 HA HIS 83 16.231 -20.744 -8.674 567 HB2 HIS 83 HB2 HIS 83 15.150 -22.804 -9.683 568 HB3 HIS 83 HB3 HIS 83 15.378 -22.100 -11.276 569 HD1 HIS 83 HD1 HIS 83 17.198 -23.849 -8.531 570 HD2 HIS 83 HD2 HIS 83 18.093 -22.118 -12.205 571 HE1 HIS 83 HE1 HIS 83 19.514 -24.623 -9.100 572 HE2 HIS 83 HE2 HIS 83 20.003 -23.629 -11.349 573 H HIS 84 H HIS 84 18.059 -19.702 -9.381 574 HA HIS 84 HA HIS 84 19.379 -18.104 -10.291 575 HB2 HIS 84 HB2 HIS 84 19.180 -19.669 -12.294 576 HB3 HIS 84 HB3 HIS 84 17.899 -18.636 -12.906 577 HD1 HIS 84 HD1 HIS 84 18.846 -17.374 -14.842 578 HD2 HIS 84 HD2 HIS 84 21.583 -17.674 -11.727 579 HE1 HIS 84 HE1 HIS 84 20.883 -16.121 -15.605 580 HE2 HIS 84 HE2 HIS 84 22.466 -16.213 -13.659 581 H HIS 85 H HIS 85 17.071 -17.275 -8.940 582 HA HIS 85 HA HIS 85 15.574 -15.256 -10.299 583 HB2 HIS 85 HB2 HIS 85 14.578 -14.746 -8.126 584 HB3 HIS 85 HB3 HIS 85 14.686 -16.491 -8.321 585 HD1 HIS 85 HD1 HIS 85 15.761 -13.721 -6.130 586 HD2 HIS 85 HD2 HIS 85 16.692 -17.732 -6.637 587 HE1 HIS 85 HE1 HIS 85 17.014 -14.387 -4.071 588 HE2 HIS 85 HE2 HIS 85 17.443 -16.847 -4.339 589 H HIS 86 H HIS 86 16.029 -13.196 -10.678 590 HA HIS 86 HA HIS 86 17.130 -11.167 -10.760 591 HB2 HIS 86 HB2 HIS 86 16.119 -11.248 -7.893 592 HB3 HIS 86 HB3 HIS 86 16.385 -9.793 -8.852 593 HD1 HIS 86 HD1 HIS 86 13.659 -11.470 -7.665 594 HD2 HIS 86 HD2 HIS 86 14.730 -10.421 -11.534 595 HE1 HIS 86 HE1 HIS 86 11.538 -11.513 -8.988 596 HE2 HIS 86 HE2 HIS 86 12.188 -10.756 -11.287 597 H HIS 87 H HIS 87 19.360 -11.440 -11.037 598 HA HIS 87 HA HIS 87 21.209 -12.080 -8.975 599 HB2 HIS 87 HB2 HIS 87 22.965 -11.418 -10.631 600 HB3 HIS 87 HB3 HIS 87 21.776 -12.526 -11.295 601 HD1 HIS 87 HD1 HIS 87 20.253 -11.640 -13.196 602 HD2 HIS 87 HD2 HIS 87 22.982 -8.826 -11.812 603 HE1 HIS 87 HE1 HIS 87 20.236 -9.790 -14.883 604 HE2 HIS 87 HE2 HIS 87 21.913 -8.114 -14.049 Start of MODEL 9 1 H1 MET 1 H1 MET 1 -5.722 23.835 1.766 2 H2 MET 1 H2 MET 1 -5.937 22.968 0.333 3 H3 MET 1 H3 MET 1 -4.597 22.659 1.316 4 HA MET 1 HA MET 1 -5.935 21.788 3.038 5 HB2 MET 1 HB2 MET 1 -8.454 21.509 2.616 6 HB3 MET 1 HB3 MET 1 -7.884 23.130 2.977 7 HG2 MET 1 HG2 MET 1 -8.449 22.125 0.179 8 HG3 MET 1 HG3 MET 1 -9.595 23.028 1.169 9 HE1 MET 1 HE1 MET 1 -8.641 25.823 -1.373 10 HE2 MET 1 HE2 MET 1 -9.950 24.967 -0.566 11 HE3 MET 1 HE3 MET 1 -8.922 24.117 -1.725 12 H ASP 2 H ASP 2 -4.768 21.067 0.284 13 HA ASP 2 HA ASP 2 -5.948 18.392 -0.097 14 HB2 ASP 2 HB2 ASP 2 -4.499 18.348 -2.166 15 HB3 ASP 2 HB3 ASP 2 -5.701 19.636 -2.137 16 H GLU 3 H GLU 3 -5.062 16.759 0.987 17 HA GLU 3 HA GLU 3 -2.361 16.877 2.132 18 HB2 GLU 3 HB2 GLU 3 -4.425 14.668 2.503 19 HB3 GLU 3 HB3 GLU 3 -3.027 15.013 3.513 20 HG2 GLU 3 HG2 GLU 3 -5.588 16.615 3.286 21 HG3 GLU 3 HG3 GLU 3 -5.005 15.720 4.689 22 H ASP 4 H ASP 4 -0.955 14.919 2.001 23 HA ASP 4 HA ASP 4 -1.227 13.397 -0.537 24 HB2 ASP 4 HB2 ASP 4 1.292 13.383 -0.649 25 HB3 ASP 4 HB3 ASP 4 0.569 14.976 -0.840 26 H ALA 5 H ALA 5 -0.739 11.239 -0.526 27 HA ALA 5 HA ALA 5 -0.221 9.868 2.055 28 HB1 ALA 5 HB1 ALA 5 -2.291 9.100 -0.037 29 HB2 ALA 5 HB2 ALA 5 -2.628 9.795 1.550 30 HB3 ALA 5 HB3 ALA 5 -1.913 8.187 1.429 31 H THR 6 H THR 6 1.108 8.071 1.926 32 HA THR 6 HA THR 6 2.384 7.507 -0.705 33 HB THR 6 HB THR 6 4.472 6.986 0.538 34 HG1 THR 6 HG1 THR 6 3.187 8.010 2.883 35 HG21 THR 6 HG21 THR 6 3.349 9.727 1.240 36 HG22 THR 6 HG22 THR 6 4.161 9.298 -0.267 37 HG23 THR 6 HG23 THR 6 5.058 9.280 1.251 38 H ILE 7 H ILE 7 2.250 5.453 -1.443 39 HA ILE 7 HA ILE 7 1.493 3.254 0.362 40 HB ILE 7 HB ILE 7 1.907 3.054 -2.658 41 HG12 ILE 7 HG12 ILE 7 0.143 4.725 -2.289 42 HG13 ILE 7 HG13 ILE 7 -0.585 3.240 -2.883 43 HG21 ILE 7 HG21 ILE 7 0.514 1.013 -2.456 44 HG22 ILE 7 HG22 ILE 7 0.403 1.251 -0.711 45 HG23 ILE 7 HG23 ILE 7 1.964 0.899 -1.457 46 HD11 ILE 7 HD11 ILE 7 -1.303 2.696 -0.601 47 HD12 ILE 7 HD12 ILE 7 -1.933 4.244 -1.150 48 HD13 ILE 7 HD13 ILE 7 -0.583 4.199 -0.023 49 H THR 8 H THR 8 3.077 2.158 1.307 50 HA THR 8 HA THR 8 5.847 2.277 0.263 51 HB THR 8 HB THR 8 4.866 2.018 3.150 52 HG1 THR 8 HG1 THR 8 4.541 4.106 2.193 53 HG21 THR 8 HG21 THR 8 7.220 2.409 3.802 54 HG22 THR 8 HG22 THR 8 7.701 2.431 2.105 55 HG23 THR 8 HG23 THR 8 7.086 0.944 2.831 56 H TYR 9 H TYR 9 5.987 0.321 -0.874 57 HA TYR 9 HA TYR 9 5.164 -2.208 0.264 58 HB2 TYR 9 HB2 TYR 9 6.899 -1.516 -2.148 59 HB3 TYR 9 HB3 TYR 9 6.541 -3.173 -1.671 60 HD1 TYR 9 HD2 TYR 9 4.914 0.030 -2.771 61 HD2 TYR 9 HD1 TYR 9 4.486 -4.208 -2.341 62 HE1 TYR 9 HE2 TYR 9 2.794 0.114 -4.003 63 HE2 TYR 9 HE1 TYR 9 2.363 -4.113 -3.573 64 HH TYR 9 HH TYR 9 1.341 -1.294 -5.237 65 H VAL 10 H VAL 10 6.251 -3.265 1.816 66 HA VAL 10 HA VAL 10 9.154 -2.799 2.183 67 HB VAL 10 HB VAL 10 8.884 -3.223 4.606 68 HG11 VAL 10 HG11 VAL 10 7.860 -1.064 5.232 69 HG12 VAL 10 HG12 VAL 10 7.178 -0.919 3.610 70 HG13 VAL 10 HG13 VAL 10 8.929 -0.909 3.834 71 HG21 VAL 10 HG21 VAL 10 6.642 -3.212 5.676 72 HG22 VAL 10 HG22 VAL 10 6.848 -4.599 4.607 73 HG23 VAL 10 HG23 VAL 10 5.881 -3.218 4.082 74 H ASP 11 H ASP 11 10.444 -4.536 2.544 75 HA ASP 11 HA ASP 11 9.494 -7.176 1.923 76 HB2 ASP 11 HB2 ASP 11 11.806 -6.011 1.348 77 HB3 ASP 11 HB3 ASP 11 12.274 -6.515 2.959 78 H ASP 12 H ASP 12 8.071 -7.651 3.580 79 HA ASP 12 HA ASP 12 8.376 -7.443 6.354 80 HB2 ASP 12 HB2 ASP 12 6.240 -7.873 5.146 81 HB3 ASP 12 HB3 ASP 12 6.798 -9.489 4.734 82 H ASP 13 H ASP 13 9.494 -9.913 4.106 83 HA ASP 13 HA ASP 13 10.350 -11.928 5.912 84 HB2 ASP 13 HB2 ASP 13 10.049 -12.097 3.390 85 HB3 ASP 13 HB3 ASP 13 11.550 -11.217 3.200 86 H LYS 14 H LYS 14 11.659 -8.818 5.162 87 HA LYS 14 HA LYS 14 14.258 -9.389 6.462 88 HB2 LYS 14 HB2 LYS 14 14.062 -8.620 3.922 89 HB3 LYS 14 HB3 LYS 14 13.774 -7.031 4.608 90 HG2 LYS 14 HG2 LYS 14 16.124 -7.325 3.962 91 HG3 LYS 14 HG3 LYS 14 15.973 -7.080 5.705 92 HD2 LYS 14 HD2 LYS 14 17.613 -8.860 5.165 93 HD3 LYS 14 HD3 LYS 14 16.257 -9.485 6.102 94 HE2 LYS 14 HE2 LYS 14 15.248 -10.383 4.010 95 HE3 LYS 14 HE3 LYS 14 16.631 -9.774 3.095 96 HZ1 LYS 14 HZ1 LYS 14 16.828 -12.139 3.628 97 HZ2 LYS 14 HZ2 LYS 14 16.774 -11.784 5.278 98 HZ3 LYS 14 HZ3 LYS 14 18.070 -11.242 4.341 99 H GLY 15 H GLY 15 11.585 -8.617 7.638 100 HA2 GLY 15 HA2 GLY 15 10.781 -7.368 9.394 101 HA3 GLY 15 HA3 GLY 15 12.436 -6.885 9.699 102 H GLY 16 H GLY 16 10.884 -6.098 6.671 103 HA2 GLY 16 HA2 GLY 16 9.727 -4.148 6.000 104 HA3 GLY 16 HA3 GLY 16 10.172 -3.363 7.504 105 H ALA 17 H ALA 17 10.983 -3.840 4.200 106 HA ALA 17 HA ALA 17 13.099 -1.799 4.331 107 HB1 ALA 17 HB1 ALA 17 14.334 -3.937 4.445 108 HB2 ALA 17 HB2 ALA 17 14.641 -3.118 2.912 109 HB3 ALA 17 HB3 ALA 17 13.529 -4.488 2.974 110 H GLN 18 H GLN 18 12.981 -0.394 2.560 111 HA GLN 18 HA GLN 18 10.579 -0.388 1.069 112 HB2 GLN 18 HB2 GLN 18 11.749 1.674 1.741 113 HB3 GLN 18 HB3 GLN 18 13.077 1.297 0.654 114 HG2 GLN 18 HG2 GLN 18 11.574 3.035 -0.266 115 HG3 GLN 18 HG3 GLN 18 11.637 1.603 -1.289 116 HE21 GLN 18 HE21 GLN 18 9.749 0.449 -1.643 117 HE22 GLN 18 HE22 GLN 18 8.208 0.938 -1.053 118 H VAL 19 H VAL 19 10.046 -1.455 -0.672 119 HA VAL 19 HA VAL 19 12.016 -2.387 -2.690 120 HB VAL 19 HB VAL 19 9.565 -3.929 -1.670 121 HG11 VAL 19 HG11 VAL 19 10.303 -5.802 -3.113 122 HG12 VAL 19 HG12 VAL 19 11.583 -4.785 -3.782 123 HG13 VAL 19 HG13 VAL 19 9.890 -4.370 -4.060 124 HG21 VAL 19 HG21 VAL 19 11.166 -5.597 -0.794 125 HG22 VAL 19 HG22 VAL 19 11.408 -4.017 -0.053 126 HG23 VAL 19 HG23 VAL 19 12.517 -4.579 -1.305 127 H GLY 20 H GLY 20 11.358 -2.208 -4.850 128 HA2 GLY 20 HA2 GLY 20 10.077 -1.754 -6.700 129 HA3 GLY 20 HA3 GLY 20 8.650 -1.927 -5.700 130 H ASP 21 H ASP 21 7.438 -0.125 -5.405 131 HA ASP 21 HA ASP 21 8.615 2.533 -6.044 132 HB2 ASP 21 HB2 ASP 21 5.806 1.539 -6.694 133 HB3 ASP 21 HB3 ASP 21 6.407 3.164 -7.015 134 H ILE 22 H ILE 22 8.150 4.255 -4.769 135 HA ILE 22 HA ILE 22 6.192 4.081 -2.569 136 HB ILE 22 HB ILE 22 7.975 6.450 -3.346 137 HG12 ILE 22 HG12 ILE 22 8.509 4.325 -1.217 138 HG13 ILE 22 HG13 ILE 22 9.355 4.453 -2.753 139 HG21 ILE 22 HG21 ILE 22 7.507 7.271 -1.052 140 HG22 ILE 22 HG22 ILE 22 6.454 5.885 -0.763 141 HG23 ILE 22 HG23 ILE 22 6.018 7.086 -1.981 142 HD11 ILE 22 HD11 ILE 22 10.254 6.629 -2.054 143 HD12 ILE 22 HD12 ILE 22 10.704 5.318 -0.966 144 HD13 ILE 22 HD13 ILE 22 9.436 6.449 -0.499 145 H VAL 23 H VAL 23 4.078 4.561 -3.156 146 HA VAL 23 HA VAL 23 3.608 6.171 -5.603 147 HB VAL 23 HB VAL 23 1.679 4.314 -4.148 148 HG11 VAL 23 HG11 VAL 23 0.496 6.042 -5.422 149 HG12 VAL 23 HG12 VAL 23 0.293 4.469 -6.188 150 HG13 VAL 23 HG13 VAL 23 1.421 5.641 -6.872 151 HG21 VAL 23 HG21 VAL 23 3.551 3.030 -5.071 152 HG22 VAL 23 HG22 VAL 23 3.322 3.779 -6.654 153 HG23 VAL 23 HG23 VAL 23 2.080 2.709 -5.995 154 H THR 24 H THR 24 3.466 8.283 -5.024 155 HA THR 24 HA THR 24 2.017 9.114 -2.592 156 HB THR 24 HB THR 24 3.623 10.876 -4.490 157 HG1 THR 24 HG1 THR 24 5.058 9.419 -3.566 158 HG21 THR 24 HG21 THR 24 2.681 11.357 -1.630 159 HG22 THR 24 HG22 THR 24 2.046 12.146 -3.078 160 HG23 THR 24 HG23 THR 24 3.707 12.447 -2.568 161 H VAL 25 H VAL 25 -0.118 9.419 -2.892 162 HA VAL 25 HA VAL 25 -1.120 10.743 -5.348 163 HB VAL 25 HB VAL 25 -3.366 9.827 -4.760 164 HG11 VAL 25 HG11 VAL 25 -1.917 8.481 -6.230 165 HG12 VAL 25 HG12 VAL 25 -2.932 7.441 -5.233 166 HG13 VAL 25 HG13 VAL 25 -1.225 7.660 -4.828 167 HG21 VAL 25 HG21 VAL 25 -1.966 8.428 -2.440 168 HG22 VAL 25 HG22 VAL 25 -3.651 8.203 -2.926 169 HG23 VAL 25 HG23 VAL 25 -3.117 9.761 -2.298 170 H THR 26 H THR 26 -2.703 12.486 -5.097 171 HA THR 26 HA THR 26 -2.656 13.839 -2.438 172 HB THR 26 HB THR 26 -2.641 16.045 -3.584 173 HG1 THR 26 HG1 THR 26 -1.759 15.230 -6.023 174 HG21 THR 26 HG21 THR 26 -0.482 15.087 -2.850 175 HG22 THR 26 HG22 THR 26 -0.293 16.059 -4.309 176 HG23 THR 26 HG23 THR 26 -0.294 14.297 -4.421 177 H GLY 27 H GLY 27 -4.485 14.961 -1.784 178 HA2 GLY 27 HA2 GLY 27 -6.760 15.671 -3.232 179 HA3 GLY 27 HA3 GLY 27 -7.037 14.028 -2.663 180 H LYS 28 H LYS 28 -8.799 15.826 -1.731 181 HA LYS 28 HA LYS 28 -7.887 16.971 0.822 182 HB2 LYS 28 HB2 LYS 28 -9.265 18.300 -0.857 183 HB3 LYS 28 HB3 LYS 28 -10.615 17.222 -0.528 184 HG2 LYS 28 HG2 LYS 28 -10.663 17.981 1.821 185 HG3 LYS 28 HG3 LYS 28 -9.273 19.032 1.519 186 HD2 LYS 28 HD2 LYS 28 -10.648 20.246 -0.212 187 HD3 LYS 28 HD3 LYS 28 -12.033 19.265 0.262 188 HE2 LYS 28 HE2 LYS 28 -10.531 21.219 2.037 189 HE3 LYS 28 HE3 LYS 28 -12.110 21.486 1.311 190 HZ1 LYS 28 HZ1 LYS 28 -12.296 20.875 3.620 191 HZ2 LYS 28 HZ2 LYS 28 -11.466 19.425 3.343 192 HZ3 LYS 28 HZ3 LYS 28 -12.984 19.677 2.645 193 H THR 29 H THR 29 -9.187 16.576 2.774 194 HA THR 29 HA THR 29 -9.500 13.937 3.438 195 HB THR 29 HB THR 29 -9.207 15.668 5.140 196 HG1 THR 29 HG1 THR 29 -10.392 13.547 5.546 197 HG21 THR 29 HG21 THR 29 -10.716 17.414 4.244 198 HG22 THR 29 HG22 THR 29 -11.081 17.060 5.934 199 HG23 THR 29 HG23 THR 29 -12.117 16.419 4.656 200 H ASP 30 H ASP 30 -11.980 15.947 2.005 201 HA ASP 30 HA ASP 30 -14.251 14.281 2.559 202 HB2 ASP 30 HB2 ASP 30 -13.874 16.345 0.337 203 HB3 ASP 30 HB3 ASP 30 -15.415 15.717 0.925 204 H ASP 31 H ASP 31 -11.771 14.309 0.121 205 HA ASP 31 HA ASP 31 -13.200 12.566 -1.740 206 HB2 ASP 31 HB2 ASP 31 -10.397 13.752 -1.897 207 HB3 ASP 31 HB3 ASP 31 -11.233 12.904 -3.199 208 H SER 32 H SER 32 -12.942 10.423 -1.838 209 HA SER 32 HA SER 32 -10.551 9.127 -0.638 210 HB2 SER 32 HB2 SER 32 -11.936 7.116 -0.258 211 HB3 SER 32 HB3 SER 32 -12.644 8.507 0.563 212 HG SER 32 HG SER 32 -14.315 8.475 -0.778 213 H THR 33 H THR 33 -9.474 7.692 -1.886 214 HA THR 33 HA THR 33 -10.353 7.160 -4.676 215 HB THR 33 HB THR 33 -8.623 8.902 -4.786 216 HG1 THR 33 HG1 THR 33 -8.095 7.839 -6.523 217 HG21 THR 33 HG21 THR 33 -6.305 8.508 -4.029 218 HG22 THR 33 HG22 THR 33 -6.793 6.967 -3.320 219 HG23 THR 33 HG23 THR 33 -7.430 8.477 -2.666 220 H THR 34 H THR 34 -9.241 5.214 -5.643 221 HA THR 34 HA THR 34 -8.556 3.181 -3.578 222 HB THR 34 HB THR 34 -10.330 2.752 -6.028 223 HG1 THR 34 HG1 THR 34 -10.859 2.888 -3.223 224 HG21 THR 34 HG21 THR 34 -8.992 0.728 -5.558 225 HG22 THR 34 HG22 THR 34 -10.688 0.467 -5.144 226 HG23 THR 34 HG23 THR 34 -9.502 0.768 -3.871 227 H TYR 35 H TYR 35 -6.538 2.570 -3.833 228 HA TYR 35 HA TYR 35 -5.125 2.670 -6.407 229 HB2 TYR 35 HB2 TYR 35 -3.949 3.689 -4.547 230 HB3 TYR 35 HB3 TYR 35 -4.226 2.293 -3.514 231 HD1 TYR 35 HD2 TYR 35 -2.425 3.329 -6.644 232 HD2 TYR 35 HD1 TYR 35 -2.539 0.613 -3.348 233 HE1 TYR 35 HE2 TYR 35 -0.263 2.401 -7.337 234 HE2 TYR 35 HE1 TYR 35 -0.376 -0.315 -4.046 235 HH TYR 35 HH TYR 35 1.561 1.157 -6.521 236 H THR 36 H THR 36 -4.554 0.816 -7.546 237 HA THR 36 HA THR 36 -5.334 -1.818 -6.499 238 HB THR 36 HB THR 36 -4.169 -1.100 -9.230 239 HG1 THR 36 HG1 THR 36 -6.812 -1.928 -8.996 240 HG21 THR 36 HG21 THR 36 -4.961 -3.336 -9.942 241 HG22 THR 36 HG22 THR 36 -5.497 -3.689 -8.298 242 HG23 THR 36 HG23 THR 36 -3.776 -3.491 -8.643 243 H VAL 37 H VAL 37 -3.947 -3.052 -5.435 244 HA VAL 37 HA VAL 37 -1.212 -2.293 -4.991 245 HB VAL 37 HB VAL 37 -2.719 -4.766 -4.017 246 HG11 VAL 37 HG11 VAL 37 -0.175 -3.494 -2.931 247 HG12 VAL 37 HG12 VAL 37 -0.293 -5.034 -3.782 248 HG13 VAL 37 HG13 VAL 37 -1.043 -4.851 -2.199 249 HG21 VAL 37 HG21 VAL 37 -3.883 -2.711 -3.342 250 HG22 VAL 37 HG22 VAL 37 -2.391 -2.067 -2.649 251 HG23 VAL 37 HG23 VAL 37 -3.151 -3.495 -1.941 252 H THR 38 H THR 38 0.585 -3.103 -5.937 253 HA THR 38 HA THR 38 0.341 -5.191 -8.027 254 HB THR 38 HB THR 38 2.236 -2.788 -7.969 255 HG1 THR 38 HG1 THR 38 -0.060 -2.314 -8.313 256 HG21 THR 38 HG21 THR 38 2.711 -3.373 -10.330 257 HG22 THR 38 HG22 THR 38 1.663 -4.787 -10.200 258 HG23 THR 38 HG23 THR 38 3.155 -4.701 -9.258 259 H ILE 39 H ILE 39 1.154 -7.002 -7.036 260 HA ILE 39 HA ILE 39 3.460 -6.879 -5.237 261 HB ILE 39 HB ILE 39 1.941 -9.383 -6.104 262 HG12 ILE 39 HG12 ILE 39 0.285 -7.920 -5.102 263 HG13 ILE 39 HG13 ILE 39 0.683 -9.151 -3.912 264 HG21 ILE 39 HG21 ILE 39 3.733 -8.877 -3.690 265 HG22 ILE 39 HG22 ILE 39 4.129 -9.868 -5.094 266 HG23 ILE 39 HG23 ILE 39 2.838 -10.368 -4.003 267 HD11 ILE 39 HD11 ILE 39 2.178 -7.477 -2.805 268 HD12 ILE 39 HD12 ILE 39 0.470 -7.053 -2.807 269 HD13 ILE 39 HD13 ILE 39 1.570 -6.270 -3.938 270 HA PRO 40 HA PRO 40 6.285 -7.879 -8.752 271 HB2 PRO 40 HB2 PRO 40 8.297 -8.077 -6.527 272 HB3 PRO 40 HB3 PRO 40 8.356 -7.127 -8.017 273 HG2 PRO 40 HG2 PRO 40 7.903 -5.930 -5.660 274 HG3 PRO 40 HG3 PRO 40 7.050 -5.394 -7.126 275 HD2 PRO 40 HD2 PRO 40 6.041 -7.168 -4.890 276 HD3 PRO 40 HD3 PRO 40 5.219 -5.819 -5.710 277 H ASP 41 H ASP 41 6.788 -9.859 -9.585 278 HA ASP 41 HA ASP 41 5.993 -12.246 -8.287 279 HB2 ASP 41 HB2 ASP 41 5.927 -11.929 -10.764 280 HB3 ASP 41 HB3 ASP 41 7.689 -11.962 -10.806 281 H GLY 42 H GLY 42 7.155 -13.913 -7.330 282 HA2 GLY 42 HA2 GLY 42 9.141 -14.959 -6.458 283 HA3 GLY 42 HA3 GLY 42 10.015 -13.447 -6.653 284 H TYR 43 H TYR 43 7.531 -12.051 -5.496 285 HA TYR 43 HA TYR 43 8.023 -12.544 -2.613 286 HB2 TYR 43 HB2 TYR 43 6.809 -10.061 -3.934 287 HB3 TYR 43 HB3 TYR 43 7.176 -10.260 -2.221 288 HD1 TYR 43 HD2 TYR 43 8.833 -10.145 -5.598 289 HD2 TYR 43 HD1 TYR 43 9.290 -9.545 -1.383 290 HE1 TYR 43 HE2 TYR 43 11.046 -9.161 -5.979 291 HE2 TYR 43 HE1 TYR 43 11.505 -8.548 -1.768 292 HH TYR 43 HH TYR 43 12.619 -7.682 -4.912 293 H GLU 44 H GLU 44 6.239 -12.820 -1.227 294 HA GLU 44 HA GLU 44 3.615 -13.344 -2.526 295 HB2 GLU 44 HB2 GLU 44 4.698 -14.514 0.065 296 HB3 GLU 44 HB3 GLU 44 3.117 -14.852 -0.620 297 HG2 GLU 44 HG2 GLU 44 4.224 -15.895 -2.587 298 HG3 GLU 44 HG3 GLU 44 5.795 -15.599 -1.834 299 H TYR 45 H TYR 45 1.850 -12.305 -1.827 300 HA TYR 45 HA TYR 45 1.964 -9.976 -0.227 301 HB2 TYR 45 HB2 TYR 45 0.394 -10.281 -2.095 302 HB3 TYR 45 HB3 TYR 45 -0.382 -11.618 -1.264 303 HD1 TYR 45 HD2 TYR 45 0.237 -7.915 -0.954 304 HD2 TYR 45 HD1 TYR 45 -2.305 -11.202 0.072 305 HE1 TYR 45 HE2 TYR 45 -1.417 -6.352 -0.035 306 HE2 TYR 45 HE1 TYR 45 -3.961 -9.636 0.985 307 HH TYR 45 HH TYR 45 -3.879 -6.323 0.390 308 H VAL 46 H VAL 46 2.340 -10.054 1.955 309 HA VAL 46 HA VAL 46 1.368 -12.225 3.658 310 HB VAL 46 HB VAL 46 2.747 -9.626 4.512 311 HG11 VAL 46 HG11 VAL 46 3.343 -10.845 6.583 312 HG12 VAL 46 HG12 VAL 46 2.433 -12.253 6.023 313 HG13 VAL 46 HG13 VAL 46 1.592 -10.743 6.376 314 HG21 VAL 46 HG21 VAL 46 4.858 -10.887 4.579 315 HG22 VAL 46 HG22 VAL 46 4.187 -10.861 2.948 316 HG23 VAL 46 HG23 VAL 46 4.040 -12.316 3.936 317 H GLY 47 H GLY 47 0.773 -8.763 3.147 318 HA2 GLY 47 HA2 GLY 47 -1.937 -8.683 3.359 319 HA3 GLY 47 HA3 GLY 47 -1.413 -8.580 5.037 320 H THR 48 H THR 48 -2.758 -6.562 4.533 321 HA THR 48 HA THR 48 -1.042 -4.301 3.654 322 HB THR 48 HB THR 48 -4.072 -4.616 3.705 323 HG1 THR 48 HG1 THR 48 -2.755 -5.433 1.905 324 HG21 THR 48 HG21 THR 48 -3.592 -2.308 4.410 325 HG22 THR 48 HG22 THR 48 -4.226 -2.323 2.766 326 HG23 THR 48 HG23 THR 48 -2.498 -2.100 3.038 327 H ASP 49 H ASP 49 -0.682 -2.631 5.049 328 HA ASP 49 HA ASP 49 -2.048 -2.568 7.685 329 HB2 ASP 49 HB2 ASP 49 0.327 -3.375 7.853 330 HB3 ASP 49 HB3 ASP 49 0.876 -1.884 7.093 331 H GLY 50 H GLY 50 -3.214 -0.694 7.902 332 HA2 GLY 50 HA2 GLY 50 -3.611 1.636 7.851 333 HA3 GLY 50 HA3 GLY 50 -2.288 1.845 6.716 334 H GLY 51 H GLY 51 -4.907 3.050 6.457 335 HA2 GLY 51 HA2 GLY 51 -6.459 3.476 4.818 336 HA3 GLY 51 HA3 GLY 51 -5.630 2.326 3.783 337 H VAL 52 H VAL 52 -7.679 1.543 3.004 338 HA VAL 52 HA VAL 52 -8.983 -0.406 4.843 339 HB VAL 52 HB VAL 52 -10.396 1.261 2.691 340 HG11 VAL 52 HG11 VAL 52 -12.497 0.175 3.423 341 HG12 VAL 52 HG12 VAL 52 -11.584 -0.865 4.518 342 HG13 VAL 52 HG13 VAL 52 -11.353 -1.003 2.774 343 HG21 VAL 52 HG21 VAL 52 -9.959 2.575 4.712 344 HG22 VAL 52 HG22 VAL 52 -10.721 1.337 5.712 345 HG23 VAL 52 HG23 VAL 52 -11.687 2.251 4.549 346 H VAL 53 H VAL 53 -8.147 -2.332 4.114 347 HA VAL 53 HA VAL 53 -7.651 -2.812 1.285 348 HB VAL 53 HB VAL 53 -6.033 -3.648 2.938 349 HG11 VAL 53 HG11 VAL 53 -6.506 -5.575 4.395 350 HG12 VAL 53 HG12 VAL 53 -8.203 -5.534 3.908 351 HG13 VAL 53 HG13 VAL 53 -7.510 -4.183 4.808 352 HG21 VAL 53 HG21 VAL 53 -5.725 -5.929 2.038 353 HG22 VAL 53 HG22 VAL 53 -6.159 -4.785 0.768 354 HG23 VAL 53 HG23 VAL 53 -7.371 -5.905 1.395 355 H SER 54 H SER 54 -8.825 -4.052 -0.075 356 HA SER 54 HA SER 54 -11.545 -4.798 0.581 357 HB2 SER 54 HB2 SER 54 -11.009 -3.792 -1.605 358 HB3 SER 54 HB3 SER 54 -9.950 -5.145 -1.993 359 HG SER 54 HG SER 54 -12.547 -4.934 -2.432 360 H SER 55 H SER 55 -12.336 -7.022 -0.352 361 HA SER 55 HA SER 55 -11.571 -8.935 1.538 362 HB2 SER 55 HB2 SER 55 -13.113 -10.478 0.318 363 HB3 SER 55 HB3 SER 55 -13.818 -8.880 0.562 364 HG SER 55 HG SER 55 -13.961 -9.899 -1.626 365 H ASP 56 H ASP 56 -10.762 -8.842 -1.938 366 HA ASP 56 HA ASP 56 -9.206 -11.330 -1.768 367 HB2 ASP 56 HB2 ASP 56 -10.796 -10.827 -3.689 368 HB3 ASP 56 HB3 ASP 56 -9.688 -9.559 -4.206 369 H GLY 57 H GLY 57 -8.575 -8.112 -1.131 370 HA2 GLY 57 HA2 GLY 57 -6.628 -7.061 -0.509 371 HA3 GLY 57 HA3 GLY 57 -5.753 -8.532 -0.874 372 H LYS 58 H LYS 58 -7.532 -7.453 -3.555 373 HA LYS 58 HA LYS 58 -5.150 -6.823 -5.055 374 HB2 LYS 58 HB2 LYS 58 -8.099 -6.832 -5.812 375 HB3 LYS 58 HB3 LYS 58 -6.818 -6.457 -6.960 376 HG2 LYS 58 HG2 LYS 58 -7.124 -9.082 -5.471 377 HG3 LYS 58 HG3 LYS 58 -7.585 -8.791 -7.154 378 HD2 LYS 58 HD2 LYS 58 -5.210 -8.274 -7.704 379 HD3 LYS 58 HD3 LYS 58 -4.760 -8.593 -6.027 380 HE2 LYS 58 HE2 LYS 58 -5.439 -10.931 -6.265 381 HE3 LYS 58 HE3 LYS 58 -5.989 -10.623 -7.914 382 HZ1 LYS 58 HZ1 LYS 58 -3.789 -11.645 -7.856 383 HZ2 LYS 58 HZ2 LYS 58 -3.186 -10.333 -6.976 384 HZ3 LYS 58 HZ3 LYS 58 -3.737 -10.108 -8.555 385 H THR 59 H THR 59 -7.602 -4.938 -3.471 386 HA THR 59 HA THR 59 -6.417 -2.413 -4.462 387 HB THR 59 HB THR 59 -8.783 -1.432 -4.532 388 HG1 THR 59 HG1 THR 59 -10.320 -3.362 -5.046 389 HG21 THR 59 HG21 THR 59 -9.326 -2.286 -6.778 390 HG22 THR 59 HG22 THR 59 -8.208 -3.633 -6.554 391 HG23 THR 59 HG23 THR 59 -7.597 -1.976 -6.634 392 H VAL 60 H VAL 60 -6.266 -0.781 -2.980 393 HA VAL 60 HA VAL 60 -7.582 -1.051 -0.333 394 HB VAL 60 HB VAL 60 -4.765 0.051 -0.817 395 HG11 VAL 60 HG11 VAL 60 -6.307 -0.236 1.797 396 HG12 VAL 60 HG12 VAL 60 -5.902 1.279 0.987 397 HG13 VAL 60 HG13 VAL 60 -4.621 0.268 1.652 398 HG21 VAL 60 HG21 VAL 60 -4.824 -2.420 -0.933 399 HG22 VAL 60 HG22 VAL 60 -5.593 -2.486 0.654 400 HG23 VAL 60 HG23 VAL 60 -3.946 -1.867 0.495 401 H THR 61 H THR 61 -8.880 0.632 0.110 402 HA THR 61 HA THR 61 -8.978 3.042 -1.431 403 HB THR 61 HB THR 61 -10.377 2.369 1.197 404 HG1 THR 61 HG1 THR 61 -12.074 1.723 -0.092 405 HG21 THR 61 HG21 THR 61 -11.999 4.145 0.557 406 HG22 THR 61 HG22 THR 61 -10.992 4.564 -0.831 407 HG23 THR 61 HG23 THR 61 -10.384 4.810 0.808 408 H ILE 62 H ILE 62 -7.784 4.764 -1.147 409 HA ILE 62 HA ILE 62 -6.416 5.456 1.371 410 HB ILE 62 HB ILE 62 -6.230 6.727 -1.405 411 HG12 ILE 62 HG12 ILE 62 -4.229 4.753 -0.213 412 HG13 ILE 62 HG13 ILE 62 -5.492 4.290 -1.350 413 HG21 ILE 62 HG21 ILE 62 -5.503 8.248 0.364 414 HG22 ILE 62 HG22 ILE 62 -4.120 7.728 -0.598 415 HG23 ILE 62 HG23 ILE 62 -4.397 7.025 0.998 416 HD11 ILE 62 HD11 ILE 62 -3.265 6.244 -1.897 417 HD12 ILE 62 HD12 ILE 62 -4.533 5.769 -3.032 418 HD13 ILE 62 HD13 ILE 62 -3.366 4.576 -2.463 419 H THR 63 H THR 63 -7.695 6.788 2.711 420 HA THR 63 HA THR 63 -9.187 9.008 1.396 421 HB THR 63 HB THR 63 -10.019 7.792 4.075 422 HG1 THR 63 HG1 THR 63 -10.380 6.298 2.343 423 HG21 THR 63 HG21 THR 63 -10.708 10.162 3.691 424 HG22 THR 63 HG22 THR 63 -12.100 9.079 3.699 425 HG23 THR 63 HG23 THR 63 -11.465 9.686 2.165 426 H PHE 64 H PHE 64 -8.358 10.922 1.858 427 HA PHE 64 HA PHE 64 -6.004 11.149 3.466 428 HB2 PHE 64 HB2 PHE 64 -7.591 13.348 2.062 429 HB3 PHE 64 HB3 PHE 64 -5.923 13.467 2.627 430 HD1 PHE 64 HD1 PHE 64 -8.153 11.954 0.084 431 HD2 PHE 64 HD2 PHE 64 -4.093 12.425 1.364 432 HE1 PHE 64 HE1 PHE 64 -7.374 11.036 -2.053 433 HE2 PHE 64 HE2 PHE 64 -3.323 11.516 -0.783 434 HZ PHE 64 HZ PHE 64 -4.960 10.817 -2.490 435 H ALA 65 H ALA 65 -5.650 12.322 5.370 436 HA ALA 65 HA ALA 65 -7.847 13.633 6.777 437 HB1 ALA 65 HB1 ALA 65 -7.767 12.147 8.742 438 HB2 ALA 65 HB2 ALA 65 -6.590 11.114 7.926 439 HB3 ALA 65 HB3 ALA 65 -8.232 11.247 7.295 440 H ALA 66 H ALA 66 -7.183 14.857 8.616 441 HA ALA 66 HA ALA 66 -4.561 15.883 8.822 442 HB1 ALA 66 HB1 ALA 66 -6.549 17.057 9.695 443 HB2 ALA 66 HB2 ALA 66 -5.313 16.882 10.942 444 HB3 ALA 66 HB3 ALA 66 -6.728 15.827 10.950 445 H ASP 67 H ASP 67 -5.975 12.976 10.155 446 HA ASP 67 HA ASP 67 -3.516 12.273 11.634 447 HB2 ASP 67 HB2 ASP 67 -6.168 10.782 11.326 448 HB3 ASP 67 HB3 ASP 67 -4.812 10.240 12.314 449 H ASP 68 H ASP 68 -2.005 10.918 10.704 450 HA ASP 68 HA ASP 68 -2.174 10.346 7.887 451 HB2 ASP 68 HB2 ASP 68 0.137 9.453 8.158 452 HB3 ASP 68 HB3 ASP 68 -0.065 11.066 8.827 453 H SER 69 H SER 69 -4.111 8.986 8.035 454 HA SER 69 HA SER 69 -3.631 6.125 8.698 455 HB2 SER 69 HB2 SER 69 -6.275 7.642 8.489 456 HB3 SER 69 HB3 SER 69 -6.094 5.941 8.932 457 HG SER 69 HG SER 69 -4.750 7.938 10.402 458 H ASP 70 H ASP 70 -3.410 8.072 6.204 459 HA ASP 70 HA ASP 70 -4.861 6.509 4.167 460 HB2 ASP 70 HB2 ASP 70 -4.205 8.603 2.737 461 HB3 ASP 70 HB3 ASP 70 -5.473 8.766 3.945 462 H ASN 71 H ASN 71 -1.689 7.113 5.388 463 HA ASN 71 HA ASN 71 -0.195 6.305 3.045 464 HB2 ASN 71 HB2 ASN 71 0.723 6.478 5.956 465 HB3 ASN 71 HB3 ASN 71 1.766 6.358 4.539 466 HD21 ASN 71 HD21 ASN 71 -0.293 8.454 6.394 467 HD22 ASN 71 HD22 ASN 71 0.175 9.921 5.622 468 H VAL 72 H VAL 72 -0.323 4.227 2.363 469 HA VAL 72 HA VAL 72 -1.058 2.071 4.258 470 HB VAL 72 HB VAL 72 -1.281 2.166 1.215 471 HG11 VAL 72 HG11 VAL 72 -2.670 0.134 1.425 472 HG12 VAL 72 HG12 VAL 72 -2.328 0.079 3.156 473 HG13 VAL 72 HG13 VAL 72 -1.020 -0.135 1.990 474 HG21 VAL 72 HG21 VAL 72 -3.714 2.418 1.556 475 HG22 VAL 72 HG22 VAL 72 -2.824 3.760 2.276 476 HG23 VAL 72 HG23 VAL 72 -3.472 2.481 3.305 477 H VAL 73 H VAL 73 0.533 0.712 4.865 478 HA VAL 73 HA VAL 73 2.961 0.345 3.243 479 HB VAL 73 HB VAL 73 2.426 -0.455 6.148 480 HG11 VAL 73 HG11 VAL 73 4.150 -1.863 5.114 481 HG12 VAL 73 HG12 VAL 73 4.875 -0.783 6.305 482 HG13 VAL 73 HG13 VAL 73 5.036 -0.430 4.581 483 HG21 VAL 73 HG21 VAL 73 3.843 1.466 6.786 484 HG22 VAL 73 HG22 VAL 73 2.414 1.997 5.899 485 HG23 VAL 73 HG23 VAL 73 3.982 1.939 5.088 486 H ILE 74 H ILE 74 2.831 -1.360 1.868 487 HA ILE 74 HA ILE 74 1.184 -3.724 2.445 488 HB ILE 74 HB ILE 74 2.874 -3.112 -0.031 489 HG12 ILE 74 HG12 ILE 74 1.091 -1.404 0.263 490 HG13 ILE 74 HG13 ILE 74 0.776 -2.409 -1.144 491 HG21 ILE 74 HG21 ILE 74 2.428 -5.514 0.191 492 HG22 ILE 74 HG22 ILE 74 1.498 -4.854 -1.155 493 HG23 ILE 74 HG23 ILE 74 0.698 -5.208 0.378 494 HD11 ILE 74 HD11 ILE 74 -1.269 -1.939 0.067 495 HD12 ILE 74 HD12 ILE 74 -0.591 -2.626 1.541 496 HD13 ILE 74 HD13 ILE 74 -0.905 -3.663 0.148 497 H HIS 75 H HIS 75 2.071 -5.430 3.512 498 HA HIS 75 HA HIS 75 4.987 -5.689 3.803 499 HB2 HIS 75 HB2 HIS 75 2.632 -7.016 5.219 500 HB3 HIS 75 HB3 HIS 75 4.308 -7.477 5.513 501 HD1 HIS 75 HD1 HIS 75 5.424 -6.251 7.368 502 HD2 HIS 75 HD2 HIS 75 2.204 -4.095 5.852 503 HE1 HIS 75 HE1 HIS 75 5.246 -4.197 8.800 504 HE2 HIS 75 HE2 HIS 75 3.262 -2.945 7.910 505 H LEU 76 H LEU 76 6.169 -7.145 2.641 506 HA LEU 76 HA LEU 76 4.815 -9.417 1.275 507 HB2 LEU 76 HB2 LEU 76 7.071 -7.681 0.177 508 HB3 LEU 76 HB3 LEU 76 6.381 -9.082 -0.632 509 HG LEU 76 HG LEU 76 4.933 -6.470 -0.051 510 HD11 LEU 76 HD11 LEU 76 5.909 -7.617 -2.686 511 HD12 LEU 76 HD12 LEU 76 6.577 -6.217 -1.841 512 HD13 LEU 76 HD13 LEU 76 4.941 -6.152 -2.493 513 HD21 LEU 76 HD21 LEU 76 3.374 -8.353 0.074 514 HD22 LEU 76 HD22 LEU 76 3.926 -8.943 -1.496 515 HD23 LEU 76 HD23 LEU 76 3.080 -7.400 -1.378 516 H LYS 77 H LYS 77 5.784 -11.369 1.494 517 HA LYS 77 HA LYS 77 8.423 -11.596 2.818 518 HB2 LYS 77 HB2 LYS 77 7.799 -13.998 3.167 519 HB3 LYS 77 HB3 LYS 77 6.653 -12.881 3.906 520 HG2 LYS 77 HG2 LYS 77 5.119 -13.188 1.994 521 HG3 LYS 77 HG3 LYS 77 6.257 -14.311 1.258 522 HD2 LYS 77 HD2 LYS 77 4.957 -14.768 3.970 523 HD3 LYS 77 HD3 LYS 77 4.291 -15.370 2.454 524 HE2 LYS 77 HE2 LYS 77 6.402 -16.656 2.083 525 HE3 LYS 77 HE3 LYS 77 6.969 -16.126 3.670 526 HZ1 LYS 77 HZ1 LYS 77 4.490 -17.696 3.173 527 HZ2 LYS 77 HZ2 LYS 77 5.090 -17.233 4.686 528 HZ3 LYS 77 HZ3 LYS 77 5.951 -18.331 3.733 529 H HIS 78 H HIS 78 9.812 -13.470 1.990 530 HA HIS 78 HA HIS 78 9.925 -13.527 -0.946 531 HB2 HIS 78 HB2 HIS 78 11.733 -14.795 1.154 532 HB3 HIS 78 HB3 HIS 78 12.015 -14.857 -0.584 533 HD1 HIS 78 HD1 HIS 78 13.885 -13.505 1.633 534 HD2 HIS 78 HD2 HIS 78 11.327 -11.504 -0.966 535 HE1 HIS 78 HE1 HIS 78 14.845 -11.202 1.388 536 HE2 HIS 78 HE2 HIS 78 13.198 -9.984 -0.055 537 H GLY 79 H GLY 79 9.591 -15.388 -2.189 538 HA2 GLY 79 HA2 GLY 79 7.812 -17.402 -1.129 539 HA3 GLY 79 HA3 GLY 79 8.419 -17.290 -2.771 540 H LEU 80 H LEU 80 8.177 -19.756 -1.740 541 HA LEU 80 HA LEU 80 10.754 -20.773 -0.820 542 HB2 LEU 80 HB2 LEU 80 8.158 -22.131 -1.640 543 HB3 LEU 80 HB3 LEU 80 9.605 -23.044 -1.258 544 HG LEU 80 HG LEU 80 9.566 -22.032 1.065 545 HD11 LEU 80 HD11 LEU 80 8.235 -20.024 0.637 546 HD12 LEU 80 HD12 LEU 80 7.514 -20.998 1.915 547 HD13 LEU 80 HD13 LEU 80 6.813 -21.015 0.294 548 HD21 LEU 80 HD21 LEU 80 7.111 -23.648 0.298 549 HD22 LEU 80 HD22 LEU 80 7.796 -23.500 1.921 550 HD23 LEU 80 HD23 LEU 80 8.717 -24.294 0.646 551 H GLU 81 H GLU 81 10.857 -19.287 -3.257 552 HA GLU 81 HA GLU 81 11.015 -20.917 -5.596 553 HB2 GLU 81 HB2 GLU 81 10.513 -18.413 -5.445 554 HB3 GLU 81 HB3 GLU 81 12.202 -18.146 -5.066 555 HG2 GLU 81 HG2 GLU 81 11.294 -19.433 -7.656 556 HG3 GLU 81 HG3 GLU 81 11.425 -17.690 -7.465 557 H HIS 82 H HIS 82 12.797 -22.066 -6.357 558 HA HIS 82 HA HIS 82 15.030 -22.541 -4.608 559 HB2 HIS 82 HB2 HIS 82 14.047 -24.337 -6.013 560 HB3 HIS 82 HB3 HIS 82 14.576 -23.501 -7.466 561 HD1 HIS 82 HD1 HIS 82 16.000 -25.318 -4.462 562 HD2 HIS 82 HD2 HIS 82 17.189 -24.066 -8.239 563 HE1 HIS 82 HE1 HIS 82 18.260 -26.327 -4.821 564 HE2 HIS 82 HE2 HIS 82 19.039 -25.368 -7.001 565 H HIS 83 H HIS 83 16.092 -20.549 -4.387 566 HA HIS 83 HA HIS 83 17.260 -19.288 -6.801 567 HB2 HIS 83 HB2 HIS 83 15.712 -17.967 -5.256 568 HB3 HIS 83 HB3 HIS 83 16.972 -18.052 -4.031 569 HD1 HIS 83 HD1 HIS 83 15.949 -16.236 -7.073 570 HD2 HIS 83 HD2 HIS 83 19.351 -16.522 -4.703 571 HE1 HIS 83 HE1 HIS 83 17.382 -14.280 -7.711 572 HE2 HIS 83 HE2 HIS 83 19.315 -14.363 -6.119 573 H HIS 84 H HIS 84 19.354 -19.665 -7.162 574 HA HIS 84 HA HIS 84 21.220 -20.542 -5.115 575 HB2 HIS 84 HB2 HIS 84 21.397 -21.442 -7.397 576 HB3 HIS 84 HB3 HIS 84 21.616 -19.828 -8.057 577 HD1 HIS 84 HD1 HIS 84 23.416 -22.368 -5.894 578 HD2 HIS 84 HD2 HIS 84 24.267 -18.973 -8.138 579 HE1 HIS 84 HE1 HIS 84 25.913 -22.189 -5.930 580 HE2 HIS 84 HE2 HIS 84 26.396 -20.080 -7.193 581 H HIS 85 H HIS 85 21.986 -19.064 -3.689 582 HA HIS 85 HA HIS 85 22.060 -16.260 -4.025 583 HB2 HIS 85 HB2 HIS 85 22.035 -17.490 -1.823 584 HB3 HIS 85 HB3 HIS 85 23.718 -17.935 -2.086 585 HD1 HIS 85 HD1 HIS 85 21.534 -14.960 -1.325 586 HD2 HIS 85 HD2 HIS 85 25.575 -15.926 -1.472 587 HE1 HIS 85 HE1 HIS 85 22.731 -13.005 -0.327 588 HE2 HIS 85 HE2 HIS 85 25.165 -13.540 -0.581 589 H HIS 86 H HIS 86 23.345 -15.167 -5.429 590 HA HIS 86 HA HIS 86 25.550 -16.457 -6.768 591 HB2 HIS 86 HB2 HIS 86 24.391 -13.659 -7.111 592 HB3 HIS 86 HB3 HIS 86 25.573 -14.402 -8.186 593 HD1 HIS 86 HD1 HIS 86 21.966 -14.129 -7.609 594 HD2 HIS 86 HD2 HIS 86 24.507 -16.716 -9.640 595 HE1 HIS 86 HE1 HIS 86 20.499 -15.430 -9.170 596 HE2 HIS 86 HE2 HIS 86 22.079 -16.848 -10.507 597 H HIS 87 H HIS 87 25.348 -13.328 -4.985 598 HA HIS 87 HA HIS 87 28.259 -13.111 -4.859 599 HB2 HIS 87 HB2 HIS 87 26.919 -11.086 -5.317 600 HB3 HIS 87 HB3 HIS 87 26.074 -11.275 -3.782 601 HD1 HIS 87 HD1 HIS 87 27.083 -10.090 -1.825 602 HD2 HIS 87 HD2 HIS 87 29.807 -10.492 -4.935 603 HE1 HIS 87 HE1 HIS 87 29.117 -8.831 -1.101 604 HE2 HIS 87 HE2 HIS 87 30.810 -9.268 -2.903 Start of MODEL 10 1 H1 MET 1 H1 MET 1 -8.315 22.389 1.113 2 H2 MET 1 H2 MET 1 -7.499 23.332 2.247 3 H3 MET 1 H3 MET 1 -7.470 21.647 2.376 4 HA MET 1 HA MET 1 -6.267 23.244 0.193 5 HB2 MET 1 HB2 MET 1 -4.940 21.590 2.392 6 HB3 MET 1 HB3 MET 1 -4.097 22.465 1.118 7 HG2 MET 1 HG2 MET 1 -4.838 24.593 2.050 8 HG3 MET 1 HG3 MET 1 -5.791 23.748 3.276 9 HE1 MET 1 HE1 MET 1 -2.819 25.276 5.382 10 HE2 MET 1 HE2 MET 1 -4.572 25.151 5.242 11 HE3 MET 1 HE3 MET 1 -3.646 26.020 4.016 12 H ASP 2 H ASP 2 -4.834 21.843 -1.221 13 HA ASP 2 HA ASP 2 -6.043 19.339 -1.982 14 HB2 ASP 2 HB2 ASP 2 -3.389 20.588 -2.838 15 HB3 ASP 2 HB3 ASP 2 -4.101 19.148 -3.566 16 H GLU 3 H GLU 3 -5.893 17.647 -0.689 17 HA GLU 3 HA GLU 3 -3.745 17.281 1.255 18 HB2 GLU 3 HB2 GLU 3 -6.238 15.585 0.753 19 HB3 GLU 3 HB3 GLU 3 -5.205 15.545 2.183 20 HG2 GLU 3 HG2 GLU 3 -6.920 17.892 1.304 21 HG3 GLU 3 HG3 GLU 3 -7.332 16.741 2.571 22 H ASP 4 H ASP 4 -2.732 15.089 1.498 23 HA ASP 4 HA ASP 4 -2.778 13.317 -0.827 24 HB2 ASP 4 HB2 ASP 4 -0.323 13.361 -1.145 25 HB3 ASP 4 HB3 ASP 4 -1.049 14.931 -1.472 26 H ALA 5 H ALA 5 -1.415 11.383 -0.514 27 HA ALA 5 HA ALA 5 -0.926 10.538 2.257 28 HB1 ALA 5 HB1 ALA 5 -2.248 8.479 1.950 29 HB2 ALA 5 HB2 ALA 5 -2.745 9.031 0.346 30 HB3 ALA 5 HB3 ALA 5 -3.263 9.916 1.781 31 H THR 6 H THR 6 0.582 8.840 2.417 32 HA THR 6 HA THR 6 2.203 8.392 -0.030 33 HB THR 6 HB THR 6 4.145 8.140 1.498 34 HG1 THR 6 HG1 THR 6 3.828 8.800 3.709 35 HG21 THR 6 HG21 THR 6 2.637 10.743 1.925 36 HG22 THR 6 HG22 THR 6 3.708 10.382 0.568 37 HG23 THR 6 HG23 THR 6 4.365 10.502 2.202 38 H ILE 7 H ILE 7 2.992 6.353 -0.497 39 HA ILE 7 HA ILE 7 1.810 4.036 0.962 40 HB ILE 7 HB ILE 7 2.207 4.293 -2.057 41 HG12 ILE 7 HG12 ILE 7 -0.464 4.296 -0.585 42 HG13 ILE 7 HG13 ILE 7 0.363 5.773 -1.064 43 HG21 ILE 7 HG21 ILE 7 0.889 2.193 -2.212 44 HG22 ILE 7 HG22 ILE 7 0.849 2.091 -0.451 45 HG23 ILE 7 HG23 ILE 7 2.387 1.958 -1.309 46 HD11 ILE 7 HD11 ILE 7 -1.379 5.189 -2.630 47 HD12 ILE 7 HD12 ILE 7 -0.627 3.624 -2.927 48 HD13 ILE 7 HD13 ILE 7 0.201 5.107 -3.406 49 H THR 8 H THR 8 3.368 2.659 1.730 50 HA THR 8 HA THR 8 5.990 2.457 0.342 51 HB THR 8 HB THR 8 5.492 2.324 3.359 52 HG1 THR 8 HG1 THR 8 5.647 4.422 3.101 53 HG21 THR 8 HG21 THR 8 7.353 0.828 2.680 54 HG22 THR 8 HG22 THR 8 7.954 2.219 3.582 55 HG23 THR 8 HG23 THR 8 8.124 2.168 1.826 56 H TYR 9 H TYR 9 6.065 0.475 -0.624 57 HA TYR 9 HA TYR 9 4.941 -1.944 0.543 58 HB2 TYR 9 HB2 TYR 9 6.769 -1.477 -1.849 59 HB3 TYR 9 HB3 TYR 9 6.274 -3.081 -1.333 60 HD1 TYR 9 HD2 TYR 9 4.506 0.211 -2.046 61 HD2 TYR 9 HD1 TYR 9 4.621 -4.027 -2.683 62 HE1 TYR 9 HE2 TYR 9 2.526 0.367 -3.493 63 HE2 TYR 9 HE1 TYR 9 2.645 -3.860 -4.136 64 HH TYR 9 HH TYR 9 1.460 -0.841 -5.268 65 H VAL 10 H VAL 10 6.062 -3.508 1.698 66 HA VAL 10 HA VAL 10 8.986 -3.373 1.982 67 HB VAL 10 HB VAL 10 8.854 -3.845 4.444 68 HG11 VAL 10 HG11 VAL 10 8.373 -1.551 5.209 69 HG12 VAL 10 HG12 VAL 10 7.577 -1.195 3.673 70 HG13 VAL 10 HG13 VAL 10 9.307 -1.544 3.709 71 HG21 VAL 10 HG21 VAL 10 6.564 -4.750 4.574 72 HG22 VAL 10 HG22 VAL 10 5.895 -3.163 4.186 73 HG23 VAL 10 HG23 VAL 10 6.766 -3.408 5.704 74 H ASP 11 H ASP 11 9.948 -5.383 2.590 75 HA ASP 11 HA ASP 11 8.281 -7.775 2.073 76 HB2 ASP 11 HB2 ASP 11 9.920 -7.416 0.295 77 HB3 ASP 11 HB3 ASP 11 11.223 -7.275 1.471 78 H ASP 12 H ASP 12 7.775 -8.537 3.988 79 HA ASP 12 HA ASP 12 9.042 -8.302 6.461 80 HB2 ASP 12 HB2 ASP 12 6.654 -8.803 6.181 81 HB3 ASP 12 HB3 ASP 12 7.027 -10.343 5.421 82 H ASP 13 H ASP 13 9.530 -10.628 3.857 83 HA ASP 13 HA ASP 13 10.658 -12.784 5.305 84 HB2 ASP 13 HB2 ASP 13 9.668 -12.755 2.945 85 HB3 ASP 13 HB3 ASP 13 11.174 -12.038 2.401 86 H LYS 14 H LYS 14 12.033 -9.825 3.971 87 HA LYS 14 HA LYS 14 14.745 -10.527 4.964 88 HB2 LYS 14 HB2 LYS 14 13.873 -8.527 2.839 89 HB3 LYS 14 HB3 LYS 14 15.520 -8.641 3.439 90 HG2 LYS 14 HG2 LYS 14 14.107 -10.968 2.096 91 HG3 LYS 14 HG3 LYS 14 14.996 -9.746 1.190 92 HD2 LYS 14 HD2 LYS 14 16.582 -11.457 1.421 93 HD3 LYS 14 HD3 LYS 14 17.014 -10.366 2.730 94 HE2 LYS 14 HE2 LYS 14 17.117 -12.705 3.469 95 HE3 LYS 14 HE3 LYS 14 15.838 -11.858 4.335 96 HZ1 LYS 14 HZ1 LYS 14 15.185 -14.074 3.568 97 HZ2 LYS 14 HZ2 LYS 14 15.406 -13.588 1.966 98 HZ3 LYS 14 HZ3 LYS 14 14.207 -12.863 2.911 99 H GLY 15 H GLY 15 12.851 -9.855 6.825 100 HA2 GLY 15 HA2 GLY 15 12.631 -8.609 8.728 101 HA3 GLY 15 HA3 GLY 15 14.161 -7.859 8.325 102 H GLY 16 H GLY 16 11.427 -7.556 6.164 103 HA2 GLY 16 HA2 GLY 16 9.889 -5.808 5.834 104 HA3 GLY 16 HA3 GLY 16 10.610 -4.919 7.169 105 H ALA 17 H ALA 17 12.253 -6.289 4.306 106 HA ALA 17 HA ALA 17 13.711 -3.898 3.745 107 HB1 ALA 17 HB1 ALA 17 14.610 -6.146 3.289 108 HB2 ALA 17 HB2 ALA 17 14.612 -5.153 1.831 109 HB3 ALA 17 HB3 ALA 17 13.377 -6.397 2.050 110 H GLN 18 H GLN 18 13.016 -2.132 2.659 111 HA GLN 18 HA GLN 18 10.407 -1.856 1.646 112 HB2 GLN 18 HB2 GLN 18 11.733 0.024 2.560 113 HB3 GLN 18 HB3 GLN 18 12.834 -0.065 1.189 114 HG2 GLN 18 HG2 GLN 18 10.995 0.587 -0.334 115 HG3 GLN 18 HG3 GLN 18 9.884 0.658 1.038 116 HE21 GLN 18 HE21 GLN 18 9.433 2.858 0.688 117 HE22 GLN 18 HE22 GLN 18 10.576 4.100 1.039 118 H VAL 19 H VAL 19 9.509 -2.152 -0.327 119 HA VAL 19 HA VAL 19 11.184 -3.094 -2.592 120 HB VAL 19 HB VAL 19 8.198 -3.581 -2.100 121 HG11 VAL 19 HG11 VAL 19 8.744 -3.616 -4.501 122 HG12 VAL 19 HG12 VAL 19 8.369 -5.247 -3.942 123 HG13 VAL 19 HG13 VAL 19 10.048 -4.771 -4.209 124 HG21 VAL 19 HG21 VAL 19 8.816 -5.919 -1.559 125 HG22 VAL 19 HG22 VAL 19 9.537 -4.777 -0.421 126 HG23 VAL 19 HG23 VAL 19 10.526 -5.495 -1.695 127 H GLY 20 H GLY 20 11.555 -1.379 -3.932 128 HA2 GLY 20 HA2 GLY 20 11.147 0.345 -5.415 129 HA3 GLY 20 HA3 GLY 20 9.422 0.182 -5.109 130 H ASP 21 H ASP 21 9.348 2.529 -5.104 131 HA ASP 21 HA ASP 21 10.547 3.882 -2.754 132 HB2 ASP 21 HB2 ASP 21 9.492 5.065 -5.362 133 HB3 ASP 21 HB3 ASP 21 10.171 5.997 -4.028 134 H ILE 22 H ILE 22 9.169 5.897 -2.117 135 HA ILE 22 HA ILE 22 6.569 4.985 -1.212 136 HB ILE 22 HB ILE 22 8.003 7.646 -0.777 137 HG12 ILE 22 HG12 ILE 22 7.763 5.203 1.048 138 HG13 ILE 22 HG13 ILE 22 9.226 5.724 0.218 139 HG21 ILE 22 HG21 ILE 22 5.578 7.923 -0.507 140 HG22 ILE 22 HG22 ILE 22 6.381 8.030 1.061 141 HG23 ILE 22 HG23 ILE 22 5.525 6.554 0.606 142 HD11 ILE 22 HD11 ILE 22 7.794 7.215 2.419 143 HD12 ILE 22 HD12 ILE 22 9.237 7.779 1.572 144 HD13 ILE 22 HD13 ILE 22 9.306 6.319 2.557 145 H VAL 23 H VAL 23 4.620 5.462 -2.162 146 HA VAL 23 HA VAL 23 4.563 7.143 -4.599 147 HB VAL 23 HB VAL 23 2.582 4.995 -3.695 148 HG11 VAL 23 HG11 VAL 23 2.802 6.426 -6.374 149 HG12 VAL 23 HG12 VAL 23 1.519 6.645 -5.179 150 HG13 VAL 23 HG13 VAL 23 1.697 5.097 -6.009 151 HG21 VAL 23 HG21 VAL 23 3.576 3.527 -5.422 152 HG22 VAL 23 HG22 VAL 23 4.762 3.965 -4.189 153 HG23 VAL 23 HG23 VAL 23 4.797 4.757 -5.769 154 H THR 24 H THR 24 3.675 9.138 -4.327 155 HA THR 24 HA THR 24 1.793 9.666 -2.108 156 HB THR 24 HB THR 24 3.200 11.696 -3.889 157 HG1 THR 24 HG1 THR 24 4.383 11.912 -1.688 158 HG21 THR 24 HG21 THR 24 1.792 12.040 -1.209 159 HG22 THR 24 HG22 THR 24 1.187 12.599 -2.771 160 HG23 THR 24 HG23 THR 24 2.652 13.306 -2.089 161 H VAL 25 H VAL 25 -0.329 9.506 -2.664 162 HA VAL 25 HA VAL 25 -1.249 10.491 -5.304 163 HB VAL 25 HB VAL 25 -3.423 9.300 -4.780 164 HG11 VAL 25 HG11 VAL 25 -0.954 7.519 -4.742 165 HG12 VAL 25 HG12 VAL 25 -1.731 8.189 -6.179 166 HG13 VAL 25 HG13 VAL 25 -2.585 7.004 -5.187 167 HG21 VAL 25 HG21 VAL 25 -1.910 8.172 -2.381 168 HG22 VAL 25 HG22 VAL 25 -3.501 7.639 -2.935 169 HG23 VAL 25 HG23 VAL 25 -3.287 9.275 -2.309 170 H THR 26 H THR 26 -2.855 12.136 -5.451 171 HA THR 26 HA THR 26 -3.141 13.802 -2.997 172 HB THR 26 HB THR 26 -1.759 14.883 -4.732 173 HG1 THR 26 HG1 THR 26 -2.723 16.514 -3.747 174 HG21 THR 26 HG21 THR 26 -4.224 14.789 -6.507 175 HG22 THR 26 HG22 THR 26 -2.743 13.863 -6.761 176 HG23 THR 26 HG23 THR 26 -2.712 15.625 -6.874 177 H GLY 27 H GLY 27 -5.035 15.287 -2.954 178 HA2 GLY 27 HA2 GLY 27 -7.360 15.199 -4.415 179 HA3 GLY 27 HA3 GLY 27 -7.518 13.859 -3.291 180 H LYS 28 H LYS 28 -8.994 14.513 -1.833 181 HA LYS 28 HA LYS 28 -8.439 16.880 -0.162 182 HB2 LYS 28 HB2 LYS 28 -10.027 17.717 -1.839 183 HB3 LYS 28 HB3 LYS 28 -11.075 16.333 -1.598 184 HG2 LYS 28 HG2 LYS 28 -12.122 18.199 -0.532 185 HG3 LYS 28 HG3 LYS 28 -11.521 17.144 0.744 186 HD2 LYS 28 HD2 LYS 28 -11.035 19.416 1.385 187 HD3 LYS 28 HD3 LYS 28 -9.505 18.647 0.955 188 HE2 LYS 28 HE2 LYS 28 -9.646 20.933 0.043 189 HE3 LYS 28 HE3 LYS 28 -9.574 19.745 -1.257 190 HZ1 LYS 28 HZ1 LYS 28 -12.063 21.027 -0.259 191 HZ2 LYS 28 HZ2 LYS 28 -11.939 19.963 -1.569 192 HZ3 LYS 28 HZ3 LYS 28 -11.219 21.488 -1.652 193 H THR 29 H THR 29 -9.219 16.679 1.961 194 HA THR 29 HA THR 29 -9.431 14.336 3.331 195 HB THR 29 HB THR 29 -10.783 15.663 5.100 196 HG1 THR 29 HG1 THR 29 -11.292 17.731 4.644 197 HG21 THR 29 HG21 THR 29 -8.317 15.539 5.198 198 HG22 THR 29 HG22 THR 29 -8.892 17.134 5.684 199 HG23 THR 29 HG23 THR 29 -8.197 16.901 4.082 200 H ASP 30 H ASP 30 -12.030 15.777 1.495 201 HA ASP 30 HA ASP 30 -14.201 14.410 2.779 202 HB2 ASP 30 HB2 ASP 30 -14.486 16.636 1.759 203 HB3 ASP 30 HB3 ASP 30 -14.088 15.989 0.171 204 H ASP 31 H ASP 31 -12.275 13.812 -0.199 205 HA ASP 31 HA ASP 31 -14.063 11.575 -0.930 206 HB2 ASP 31 HB2 ASP 31 -13.046 11.638 -3.160 207 HB3 ASP 31 HB3 ASP 31 -13.647 13.225 -2.709 208 H SER 32 H SER 32 -13.099 9.661 -1.867 209 HA SER 32 HA SER 32 -10.534 8.794 -0.680 210 HB2 SER 32 HB2 SER 32 -11.534 6.585 -0.148 211 HB3 SER 32 HB3 SER 32 -12.368 7.878 0.711 212 HG SER 32 HG SER 32 -13.711 6.233 -0.356 213 H THR 33 H THR 33 -9.652 6.871 -1.718 214 HA THR 33 HA THR 33 -10.447 6.362 -4.528 215 HB THR 33 HB THR 33 -8.676 8.056 -4.696 216 HG1 THR 33 HG1 THR 33 -7.485 6.979 -6.171 217 HG21 THR 33 HG21 THR 33 -6.907 6.160 -3.101 218 HG22 THR 33 HG22 THR 33 -7.528 7.713 -2.535 219 HG23 THR 33 HG23 THR 33 -6.381 7.659 -3.875 220 H THR 34 H THR 34 -9.503 4.350 -5.414 221 HA THR 34 HA THR 34 -8.601 2.404 -3.342 222 HB THR 34 HB THR 34 -9.517 0.594 -4.865 223 HG1 THR 34 HG1 THR 34 -10.869 1.166 -6.533 224 HG21 THR 34 HG21 THR 34 -10.816 1.321 -2.885 225 HG22 THR 34 HG22 THR 34 -11.878 0.869 -4.222 226 HG23 THR 34 HG23 THR 34 -11.594 2.572 -3.859 227 H TYR 35 H TYR 35 -6.494 2.082 -3.522 228 HA TYR 35 HA TYR 35 -4.985 2.598 -5.956 229 HB2 TYR 35 HB2 TYR 35 -4.075 3.425 -3.863 230 HB3 TYR 35 HB3 TYR 35 -4.199 1.842 -3.117 231 HD1 TYR 35 HD2 TYR 35 -2.473 3.520 -6.026 232 HD2 TYR 35 HD1 TYR 35 -2.219 0.543 -2.964 233 HE1 TYR 35 HE2 TYR 35 -0.144 3.065 -6.655 234 HE2 TYR 35 HE1 TYR 35 0.108 0.094 -3.597 235 HH TYR 35 HH TYR 35 1.898 2.155 -5.598 236 H THR 36 H THR 36 -3.888 1.066 -7.208 237 HA THR 36 HA THR 36 -4.660 -1.739 -6.957 238 HB THR 36 HB THR 36 -2.968 -0.334 -9.083 239 HG1 THR 36 HG1 THR 36 -5.054 0.379 -9.277 240 HG21 THR 36 HG21 THR 36 -3.372 -2.358 -10.470 241 HG22 THR 36 HG22 THR 36 -4.172 -3.133 -9.101 242 HG23 THR 36 HG23 THR 36 -2.451 -2.755 -9.012 243 H VAL 37 H VAL 37 -3.496 -2.960 -5.590 244 HA VAL 37 HA VAL 37 -0.739 -2.394 -4.882 245 HB VAL 37 HB VAL 37 -2.464 -4.768 -4.027 246 HG11 VAL 37 HG11 VAL 37 -0.056 -5.101 -3.612 247 HG12 VAL 37 HG12 VAL 37 -0.924 -4.906 -2.090 248 HG13 VAL 37 HG13 VAL 37 0.025 -3.566 -2.741 249 HG21 VAL 37 HG21 VAL 37 -3.008 -3.481 -1.981 250 HG22 VAL 37 HG22 VAL 37 -3.616 -2.674 -3.430 251 HG23 VAL 37 HG23 VAL 37 -2.157 -2.078 -2.636 252 H THR 38 H THR 38 0.894 -3.094 -6.171 253 HA THR 38 HA THR 38 0.439 -5.319 -8.069 254 HB THR 38 HB THR 38 2.327 -4.336 -9.390 255 HG1 THR 38 HG1 THR 38 3.424 -3.241 -7.712 256 HG21 THR 38 HG21 THR 38 0.092 -2.360 -8.783 257 HG22 THR 38 HG22 THR 38 0.014 -3.681 -9.956 258 HG23 THR 38 HG23 THR 38 1.125 -2.333 -10.215 259 H ILE 39 H ILE 39 1.246 -7.163 -7.366 260 HA ILE 39 HA ILE 39 3.433 -7.307 -5.428 261 HB ILE 39 HB ILE 39 1.844 -9.671 -6.516 262 HG12 ILE 39 HG12 ILE 39 0.168 -8.054 -5.722 263 HG13 ILE 39 HG13 ILE 39 0.255 -9.407 -4.605 264 HG21 ILE 39 HG21 ILE 39 3.852 -10.251 -5.222 265 HG22 ILE 39 HG22 ILE 39 2.404 -10.700 -4.321 266 HG23 ILE 39 HG23 ILE 39 3.302 -9.247 -3.875 267 HD11 ILE 39 HD11 ILE 39 1.539 -8.038 -3.049 268 HD12 ILE 39 HD12 ILE 39 -0.002 -7.290 -3.455 269 HD13 ILE 39 HD13 ILE 39 1.485 -6.684 -4.182 270 HA PRO 40 HA PRO 40 6.189 -8.199 -9.003 271 HB2 PRO 40 HB2 PRO 40 8.564 -8.267 -7.620 272 HB3 PRO 40 HB3 PRO 40 7.748 -6.762 -8.065 273 HG2 PRO 40 HG2 PRO 40 7.695 -8.237 -5.431 274 HG3 PRO 40 HG3 PRO 40 7.899 -6.498 -5.724 275 HD2 PRO 40 HD2 PRO 40 5.503 -7.560 -4.980 276 HD3 PRO 40 HD3 PRO 40 5.611 -6.156 -6.067 277 H ASP 41 H ASP 41 7.820 -9.863 -9.578 278 HA ASP 41 HA ASP 41 6.829 -12.471 -9.228 279 HB2 ASP 41 HB2 ASP 41 8.820 -13.192 -10.543 280 HB3 ASP 41 HB3 ASP 41 8.010 -11.805 -11.260 281 H GLY 42 H GLY 42 7.340 -14.162 -7.907 282 HA2 GLY 42 HA2 GLY 42 8.486 -15.457 -6.352 283 HA3 GLY 42 HA3 GLY 42 9.750 -14.245 -6.272 284 H TYR 43 H TYR 43 6.926 -12.537 -5.800 285 HA TYR 43 HA TYR 43 7.182 -12.664 -2.851 286 HB2 TYR 43 HB2 TYR 43 6.276 -10.378 -4.650 287 HB3 TYR 43 HB3 TYR 43 6.146 -10.342 -2.897 288 HD1 TYR 43 HD2 TYR 43 8.833 -11.049 -5.460 289 HD2 TYR 43 HD1 TYR 43 7.819 -9.097 -1.797 290 HE1 TYR 43 HE2 TYR 43 11.085 -10.090 -5.353 291 HE2 TYR 43 HE1 TYR 43 10.074 -8.130 -1.696 292 HH TYR 43 HH TYR 43 12.310 -8.555 -2.561 293 H GLU 44 H GLU 44 5.304 -12.470 -1.564 294 HA GLU 44 HA GLU 44 2.679 -13.124 -2.767 295 HB2 GLU 44 HB2 GLU 44 3.882 -14.323 -0.219 296 HB3 GLU 44 HB3 GLU 44 2.236 -14.601 -0.799 297 HG2 GLU 44 HG2 GLU 44 3.195 -15.646 -2.869 298 HG3 GLU 44 HG3 GLU 44 4.805 -15.454 -2.178 299 H TYR 45 H TYR 45 0.950 -11.969 -1.916 300 HA TYR 45 HA TYR 45 1.492 -9.637 -0.338 301 HB2 TYR 45 HB2 TYR 45 -0.192 -9.631 -2.154 302 HB3 TYR 45 HB3 TYR 45 -1.182 -10.772 -1.251 303 HD1 TYR 45 HD2 TYR 45 0.261 -7.310 -1.077 304 HD2 TYR 45 HD1 TYR 45 -2.770 -9.966 0.366 305 HE1 TYR 45 HE2 TYR 45 -0.827 -5.448 0.098 306 HE2 TYR 45 HE1 TYR 45 -3.846 -8.103 1.542 307 HH TYR 45 HH TYR 45 -3.109 -4.883 0.945 308 H VAL 46 H VAL 46 1.100 -9.214 1.797 309 HA VAL 46 HA VAL 46 0.072 -11.380 3.539 310 HB VAL 46 HB VAL 46 1.941 -9.082 4.266 311 HG11 VAL 46 HG11 VAL 46 2.267 -10.259 6.433 312 HG12 VAL 46 HG12 VAL 46 1.031 -11.434 5.976 313 HG13 VAL 46 HG13 VAL 46 0.594 -9.741 6.216 314 HG21 VAL 46 HG21 VAL 46 3.705 -10.800 4.451 315 HG22 VAL 46 HG22 VAL 46 3.056 -10.717 2.811 316 HG23 VAL 46 HG23 VAL 46 2.572 -12.031 3.889 317 H GLY 47 H GLY 47 0.233 -7.752 3.536 318 HA2 GLY 47 HA2 GLY 47 -2.509 -7.297 4.031 319 HA3 GLY 47 HA3 GLY 47 -1.695 -7.398 5.585 320 H THR 48 H THR 48 -2.777 -5.144 5.503 321 HA THR 48 HA THR 48 -0.805 -3.110 4.632 322 HB THR 48 HB THR 48 -3.836 -2.880 4.325 323 HG1 THR 48 HG1 THR 48 -2.438 -4.050 2.708 324 HG21 THR 48 HG21 THR 48 -3.413 -0.673 3.275 325 HG22 THR 48 HG22 THR 48 -1.704 -0.803 3.692 326 HG23 THR 48 HG23 THR 48 -2.917 -0.683 4.969 327 H ASP 49 H ASP 49 -0.389 -1.499 6.106 328 HA ASP 49 HA ASP 49 -2.102 -1.227 8.516 329 HB2 ASP 49 HB2 ASP 49 0.872 -0.658 8.139 330 HB3 ASP 49 HB3 ASP 49 -0.042 -0.144 9.557 331 H GLY 50 H GLY 50 -2.625 0.912 9.197 332 HA2 GLY 50 HA2 GLY 50 -2.947 3.206 9.025 333 HA3 GLY 50 HA3 GLY 50 -1.946 3.247 7.585 334 H GLY 51 H GLY 51 -3.042 2.024 5.639 335 HA2 GLY 51 HA2 GLY 51 -5.621 3.250 5.110 336 HA3 GLY 51 HA3 GLY 51 -4.653 2.299 3.997 337 H VAL 52 H VAL 52 -7.252 1.874 3.824 338 HA VAL 52 HA VAL 52 -7.986 -0.520 5.437 339 HB VAL 52 HB VAL 52 -9.798 1.411 3.905 340 HG11 VAL 52 HG11 VAL 52 -11.713 0.198 4.928 341 HG12 VAL 52 HG12 VAL 52 -10.598 -0.986 5.614 342 HG13 VAL 52 HG13 VAL 52 -10.777 -0.852 3.862 343 HG21 VAL 52 HG21 VAL 52 -9.464 1.042 6.906 344 HG22 VAL 52 HG22 VAL 52 -10.635 2.111 6.124 345 HG23 VAL 52 HG23 VAL 52 -8.904 2.425 5.960 346 H VAL 53 H VAL 53 -7.661 -2.416 4.324 347 HA VAL 53 HA VAL 53 -7.695 -2.355 1.349 348 HB VAL 53 HB VAL 53 -5.484 -2.857 2.441 349 HG11 VAL 53 HG11 VAL 53 -6.776 -5.454 3.341 350 HG12 VAL 53 HG12 VAL 53 -6.261 -4.134 4.393 351 HG13 VAL 53 HG13 VAL 53 -5.061 -5.049 3.475 352 HG21 VAL 53 HG21 VAL 53 -4.871 -4.734 0.955 353 HG22 VAL 53 HG22 VAL 53 -5.912 -3.574 0.125 354 HG23 VAL 53 HG23 VAL 53 -6.580 -5.102 0.705 355 H SER 54 H SER 54 -8.561 -4.135 0.187 356 HA SER 54 HA SER 54 -10.720 -5.656 1.427 357 HB2 SER 54 HB2 SER 54 -11.146 -6.483 -0.887 358 HB3 SER 54 HB3 SER 54 -11.044 -4.719 -0.846 359 HG SER 54 HG SER 54 -9.278 -4.775 -2.010 360 H SER 55 H SER 55 -10.853 -7.998 1.274 361 HA SER 55 HA SER 55 -8.524 -9.394 2.136 362 HB2 SER 55 HB2 SER 55 -10.744 -10.068 2.909 363 HB3 SER 55 HB3 SER 55 -11.245 -10.448 1.263 364 HG SER 55 HG SER 55 -10.095 -12.264 1.307 365 H ASP 56 H ASP 56 -9.992 -9.013 -1.040 366 HA ASP 56 HA ASP 56 -8.562 -10.985 -2.467 367 HB2 ASP 56 HB2 ASP 56 -9.505 -8.281 -3.517 368 HB3 ASP 56 HB3 ASP 56 -9.192 -9.730 -4.475 369 H GLY 57 H GLY 57 -7.477 -7.907 -1.214 370 HA2 GLY 57 HA2 GLY 57 -5.364 -7.039 -0.975 371 HA3 GLY 57 HA3 GLY 57 -4.727 -8.547 -1.590 372 H LYS 58 H LYS 58 -6.894 -6.878 -3.702 373 HA LYS 58 HA LYS 58 -4.664 -5.944 -5.403 374 HB2 LYS 58 HB2 LYS 58 -7.562 -6.618 -6.022 375 HB3 LYS 58 HB3 LYS 58 -6.542 -5.769 -7.174 376 HG2 LYS 58 HG2 LYS 58 -5.589 -8.412 -6.077 377 HG3 LYS 58 HG3 LYS 58 -6.865 -8.402 -7.290 378 HD2 LYS 58 HD2 LYS 58 -4.827 -8.675 -8.503 379 HD3 LYS 58 HD3 LYS 58 -5.319 -7.008 -8.769 380 HE2 LYS 58 HE2 LYS 58 -2.937 -7.039 -8.418 381 HE3 LYS 58 HE3 LYS 58 -3.660 -6.327 -6.981 382 HZ1 LYS 58 HZ1 LYS 58 -2.760 -9.138 -7.252 383 HZ2 LYS 58 HZ2 LYS 58 -3.421 -8.449 -5.859 384 HZ3 LYS 58 HZ3 LYS 58 -1.928 -7.913 -6.437 385 H THR 59 H THR 59 -7.652 -4.829 -3.825 386 HA THR 59 HA THR 59 -6.996 -2.016 -4.537 387 HB THR 59 HB THR 59 -9.383 -1.455 -4.115 388 HG1 THR 59 HG1 THR 59 -10.854 -2.982 -3.558 389 HG21 THR 59 HG21 THR 59 -10.368 -2.515 -6.114 390 HG22 THR 59 HG22 THR 59 -9.060 -3.699 -6.142 391 HG23 THR 59 HG23 THR 59 -8.709 -1.992 -6.425 392 H VAL 60 H VAL 60 -6.250 -0.802 -2.897 393 HA VAL 60 HA VAL 60 -7.322 -1.226 -0.161 394 HB VAL 60 HB VAL 60 -4.934 -1.686 -0.120 395 HG11 VAL 60 HG11 VAL 60 -4.452 1.067 -1.297 396 HG12 VAL 60 HG12 VAL 60 -4.203 -0.469 -2.124 397 HG13 VAL 60 HG13 VAL 60 -3.202 -0.047 -0.733 398 HG21 VAL 60 HG21 VAL 60 -5.862 -0.544 1.849 399 HG22 VAL 60 HG22 VAL 60 -5.500 1.027 1.131 400 HG23 VAL 60 HG23 VAL 60 -4.184 -0.055 1.589 401 H THR 61 H THR 61 -8.799 0.263 0.326 402 HA THR 61 HA THR 61 -9.155 2.706 -1.080 403 HB THR 61 HB THR 61 -10.442 1.822 1.536 404 HG1 THR 61 HG1 THR 61 -12.128 1.081 0.171 405 HG21 THR 61 HG21 THR 61 -12.269 3.373 0.919 406 HG22 THR 61 HG22 THR 61 -11.363 3.885 -0.506 407 HG23 THR 61 HG23 THR 61 -10.745 4.246 1.109 408 H ILE 62 H ILE 62 -7.928 4.446 -0.792 409 HA ILE 62 HA ILE 62 -6.768 5.194 1.815 410 HB ILE 62 HB ILE 62 -6.169 6.490 -0.887 411 HG12 ILE 62 HG12 ILE 62 -4.684 4.121 0.333 412 HG13 ILE 62 HG13 ILE 62 -5.712 4.054 -1.091 413 HG21 ILE 62 HG21 ILE 62 -4.062 7.187 0.216 414 HG22 ILE 62 HG22 ILE 62 -4.567 6.373 1.698 415 HG23 ILE 62 HG23 ILE 62 -5.477 7.764 1.103 416 HD11 ILE 62 HD11 ILE 62 -3.139 5.602 -0.847 417 HD12 ILE 62 HD12 ILE 62 -4.168 5.516 -2.279 418 HD13 ILE 62 HD13 ILE 62 -3.365 4.063 -1.681 419 H THR 63 H THR 63 -7.865 6.807 2.923 420 HA THR 63 HA THR 63 -9.517 8.740 1.372 421 HB THR 63 HB THR 63 -10.105 7.987 4.273 422 HG1 THR 63 HG1 THR 63 -11.950 6.874 2.925 423 HG21 THR 63 HG21 THR 63 -11.798 9.296 2.090 424 HG22 THR 63 HG22 THR 63 -11.073 10.143 3.463 425 HG23 THR 63 HG23 THR 63 -12.338 8.942 3.737 426 H PHE 64 H PHE 64 -8.467 10.599 1.305 427 HA PHE 64 HA PHE 64 -6.078 11.150 2.622 428 HB2 PHE 64 HB2 PHE 64 -7.908 13.215 1.313 429 HB3 PHE 64 HB3 PHE 64 -6.163 13.340 1.535 430 HD1 PHE 64 HD2 PHE 64 -4.655 11.648 0.308 431 HD2 PHE 64 HD1 PHE 64 -8.798 12.177 -0.657 432 HE1 PHE 64 HE2 PHE 64 -4.313 10.531 -1.848 433 HE2 PHE 64 HE1 PHE 64 -8.436 11.050 -2.809 434 HZ PHE 64 HZ PHE 64 -6.196 10.228 -3.407 435 H ALA 65 H ALA 65 -5.484 12.235 4.482 436 HA ALA 65 HA ALA 65 -7.435 13.945 5.903 437 HB1 ALA 65 HB1 ALA 65 -6.036 11.605 7.251 438 HB2 ALA 65 HB2 ALA 65 -7.754 11.691 6.855 439 HB3 ALA 65 HB3 ALA 65 -7.071 12.794 8.051 440 H ALA 66 H ALA 66 -6.512 15.710 6.824 441 HA ALA 66 HA ALA 66 -3.736 16.320 6.598 442 HB1 ALA 66 HB1 ALA 66 -5.859 17.744 8.236 443 HB2 ALA 66 HB2 ALA 66 -5.487 18.052 6.540 444 HB3 ALA 66 HB3 ALA 66 -4.282 18.401 7.781 445 H ASP 67 H ASP 67 -5.401 14.486 8.945 446 HA ASP 67 HA ASP 67 -3.706 14.870 11.215 447 HB2 ASP 67 HB2 ASP 67 -5.972 13.935 11.435 448 HB3 ASP 67 HB3 ASP 67 -5.541 12.562 10.420 449 H ASP 68 H ASP 68 -3.464 12.970 8.276 450 HA ASP 68 HA ASP 68 -1.990 11.537 7.377 451 HB2 ASP 68 HB2 ASP 68 -0.374 13.356 8.001 452 HB3 ASP 68 HB3 ASP 68 -0.064 12.529 9.517 453 H SER 69 H SER 69 -3.449 9.866 8.108 454 HA SER 69 HA SER 69 -2.160 7.784 9.737 455 HB2 SER 69 HB2 SER 69 -3.514 9.132 11.374 456 HB3 SER 69 HB3 SER 69 -4.957 8.802 10.420 457 HG SER 69 HG SER 69 -4.726 6.601 10.919 458 H ASP 70 H ASP 70 -3.467 8.559 6.979 459 HA ASP 70 HA ASP 70 -5.168 6.176 6.510 460 HB2 ASP 70 HB2 ASP 70 -5.996 7.503 4.536 461 HB3 ASP 70 HB3 ASP 70 -6.340 8.241 6.094 462 H ASN 71 H ASN 71 -2.079 7.090 6.235 463 HA ASN 71 HA ASN 71 -1.263 6.566 3.580 464 HB2 ASN 71 HB2 ASN 71 0.381 6.339 6.146 465 HB3 ASN 71 HB3 ASN 71 1.017 6.533 4.513 466 HD21 ASN 71 HD21 ASN 71 2.097 8.431 5.027 467 HD22 ASN 71 HD22 ASN 71 1.292 9.919 5.343 468 H VAL 72 H VAL 72 -0.463 4.680 2.623 469 HA VAL 72 HA VAL 72 -1.441 2.171 3.831 470 HB VAL 72 HB VAL 72 -0.829 2.973 0.957 471 HG11 VAL 72 HG11 VAL 72 -0.257 0.591 1.195 472 HG12 VAL 72 HG12 VAL 72 -1.733 0.777 0.248 473 HG13 VAL 72 HG13 VAL 72 -1.828 0.273 1.933 474 HG21 VAL 72 HG21 VAL 72 -2.894 3.934 1.859 475 HG22 VAL 72 HG22 VAL 72 -3.446 2.333 2.363 476 HG23 VAL 72 HG23 VAL 72 -3.277 2.707 0.646 477 H VAL 73 H VAL 73 0.004 0.755 4.669 478 HA VAL 73 HA VAL 73 2.757 0.600 3.555 479 HB VAL 73 HB VAL 73 1.848 -0.309 6.330 480 HG11 VAL 73 HG11 VAL 73 4.276 -0.525 6.813 481 HG12 VAL 73 HG12 VAL 73 4.649 -0.092 5.142 482 HG13 VAL 73 HG13 VAL 73 3.781 -1.590 5.495 483 HG21 VAL 73 HG21 VAL 73 3.073 1.649 7.234 484 HG22 VAL 73 HG22 VAL 73 1.730 2.146 6.202 485 HG23 VAL 73 HG23 VAL 73 3.384 2.216 5.589 486 H ILE 74 H ILE 74 2.694 -1.011 2.052 487 HA ILE 74 HA ILE 74 1.016 -3.391 2.335 488 HB ILE 74 HB ILE 74 2.959 -2.553 0.123 489 HG12 ILE 74 HG12 ILE 74 0.983 -1.070 0.263 490 HG13 ILE 74 HG13 ILE 74 0.926 -2.036 -1.205 491 HG21 ILE 74 HG21 ILE 74 1.013 -4.899 0.152 492 HG22 ILE 74 HG22 ILE 74 2.775 -5.003 0.151 493 HG23 ILE 74 HG23 ILE 74 1.931 -4.358 -1.258 494 HD11 ILE 74 HD11 ILE 74 -1.268 -1.839 -0.193 495 HD12 ILE 74 HD12 ILE 74 -0.670 -2.535 1.312 496 HD13 ILE 74 HD13 ILE 74 -0.727 -3.517 -0.156 497 H HIS 75 H HIS 75 1.766 -5.410 2.864 498 HA HIS 75 HA HIS 75 4.653 -5.766 3.473 499 HB2 HIS 75 HB2 HIS 75 2.231 -7.046 4.823 500 HB3 HIS 75 HB3 HIS 75 3.913 -7.433 5.192 501 HD1 HIS 75 HD1 HIS 75 5.172 -5.855 6.744 502 HD2 HIS 75 HD2 HIS 75 1.451 -4.366 5.641 503 HE1 HIS 75 HE1 HIS 75 4.810 -3.817 8.151 504 HE2 HIS 75 HE2 HIS 75 2.500 -3.032 7.582 505 H LEU 76 H LEU 76 5.705 -7.461 2.553 506 HA LEU 76 HA LEU 76 4.224 -9.499 0.988 507 HB2 LEU 76 HB2 LEU 76 6.718 -7.992 0.073 508 HB3 LEU 76 HB3 LEU 76 5.914 -9.281 -0.819 509 HG LEU 76 HG LEU 76 4.715 -6.544 -0.216 510 HD11 LEU 76 HD11 LEU 76 4.959 -6.074 -2.599 511 HD12 LEU 76 HD12 LEU 76 5.775 -7.623 -2.842 512 HD13 LEU 76 HD13 LEU 76 6.522 -6.373 -1.844 513 HD21 LEU 76 HD21 LEU 76 2.885 -7.195 -1.720 514 HD22 LEU 76 HD22 LEU 76 2.979 -8.278 -0.333 515 HD23 LEU 76 HD23 LEU 76 3.590 -8.805 -1.906 516 H LYS 77 H LYS 77 5.383 -11.537 0.719 517 HA LYS 77 HA LYS 77 7.997 -11.829 2.091 518 HB2 LYS 77 HB2 LYS 77 5.754 -13.896 2.288 519 HB3 LYS 77 HB3 LYS 77 7.364 -14.025 2.997 520 HG2 LYS 77 HG2 LYS 77 6.774 -11.962 4.385 521 HG3 LYS 77 HG3 LYS 77 5.124 -12.158 3.793 522 HD2 LYS 77 HD2 LYS 77 5.296 -13.169 5.990 523 HD3 LYS 77 HD3 LYS 77 5.072 -14.451 4.796 524 HE2 LYS 77 HE2 LYS 77 7.479 -14.956 4.872 525 HE3 LYS 77 HE3 LYS 77 7.741 -13.627 6.006 526 HZ1 LYS 77 HZ1 LYS 77 6.116 -16.063 6.507 527 HZ2 LYS 77 HZ2 LYS 77 6.311 -14.779 7.591 528 HZ3 LYS 77 HZ3 LYS 77 7.644 -15.723 7.152 529 H HIS 78 H HIS 78 9.051 -14.001 1.409 530 HA HIS 78 HA HIS 78 8.763 -14.272 -1.520 531 HB2 HIS 78 HB2 HIS 78 11.000 -15.212 0.323 532 HB3 HIS 78 HB3 HIS 78 10.990 -15.378 -1.435 533 HD1 HIS 78 HD1 HIS 78 12.915 -13.631 0.546 534 HD2 HIS 78 HD2 HIS 78 10.066 -12.256 -2.134 535 HE1 HIS 78 HE1 HIS 78 13.623 -11.313 -0.044 536 HE2 HIS 78 HE2 HIS 78 11.713 -10.417 -1.389 537 H GLY 79 H GLY 79 8.074 -16.115 -2.489 538 HA2 GLY 79 HA2 GLY 79 6.968 -18.321 -0.972 539 HA3 GLY 79 HA3 GLY 79 7.066 -18.187 -2.724 540 H LEU 80 H LEU 80 9.505 -18.114 -3.443 541 HA LEU 80 HA LEU 80 11.085 -20.187 -2.046 542 HB2 LEU 80 HB2 LEU 80 12.242 -20.644 -4.112 543 HB3 LEU 80 HB3 LEU 80 10.519 -20.744 -4.408 544 HG LEU 80 HG LEU 80 12.184 -18.301 -5.188 545 HD11 LEU 80 HD11 LEU 80 11.429 -20.642 -6.964 546 HD12 LEU 80 HD12 LEU 80 13.052 -20.256 -6.387 547 HD13 LEU 80 HD13 LEU 80 12.225 -19.151 -7.483 548 HD21 LEU 80 HD21 LEU 80 9.750 -17.866 -5.013 549 HD22 LEU 80 HD22 LEU 80 9.429 -19.179 -6.149 550 HD23 LEU 80 HD23 LEU 80 10.312 -17.744 -6.679 551 H GLU 81 H GLU 81 13.324 -19.796 -1.681 552 HA GLU 81 HA GLU 81 14.136 -16.950 -1.642 553 HB2 GLU 81 HB2 GLU 81 14.428 -19.141 0.297 554 HB3 GLU 81 HB3 GLU 81 16.001 -18.460 -0.080 555 HG2 GLU 81 HG2 GLU 81 13.592 -16.942 0.978 556 HG3 GLU 81 HG3 GLU 81 15.032 -17.394 1.891 557 H HIS 82 H HIS 82 16.701 -16.821 -1.649 558 HA HIS 82 HA HIS 82 17.615 -17.909 -4.231 559 HB2 HIS 82 HB2 HIS 82 18.850 -15.771 -2.433 560 HB3 HIS 82 HB3 HIS 82 19.405 -16.190 -4.052 561 HD1 HIS 82 HD1 HIS 82 17.937 -15.376 -6.058 562 HD2 HIS 82 HD2 HIS 82 16.561 -14.154 -2.333 563 HE1 HIS 82 HE1 HIS 82 16.227 -13.594 -6.519 564 HE2 HIS 82 HE2 HIS 82 15.319 -12.971 -4.261 565 H HIS 83 H HIS 83 17.518 -19.419 -1.546 566 HA HIS 83 HA HIS 83 20.311 -20.397 -1.452 567 HB2 HIS 83 HB2 HIS 83 18.488 -20.018 0.973 568 HB3 HIS 83 HB3 HIS 83 20.148 -20.615 1.000 569 HD1 HIS 83 HD1 HIS 83 22.022 -18.797 0.339 570 HD2 HIS 83 HD2 HIS 83 18.234 -17.287 1.129 571 HE1 HIS 83 HE1 HIS 83 22.336 -16.337 0.707 572 HE2 HIS 83 HE2 HIS 83 20.012 -15.428 0.944 573 H HIS 84 H HIS 84 20.538 -22.642 -1.184 574 HA HIS 84 HA HIS 84 18.378 -24.364 -1.891 575 HB2 HIS 84 HB2 HIS 84 20.017 -26.242 -1.297 576 HB3 HIS 84 HB3 HIS 84 20.543 -25.114 -2.534 577 HD1 HIS 84 HD1 HIS 84 20.973 -25.355 1.264 578 HD2 HIS 84 HD2 HIS 84 23.146 -24.492 -2.170 579 HE1 HIS 84 HE1 HIS 84 23.305 -24.867 2.043 580 HE2 HIS 84 HE2 HIS 84 24.545 -24.181 -0.024 581 H HIS 85 H HIS 85 17.592 -26.240 -0.604 582 HA HIS 85 HA HIS 85 16.107 -25.233 1.561 583 HB2 HIS 85 HB2 HIS 85 16.493 -28.141 0.734 584 HB3 HIS 85 HB3 HIS 85 15.221 -27.551 1.801 585 HD1 HIS 85 HD1 HIS 85 13.423 -25.913 0.660 586 HD2 HIS 85 HD2 HIS 85 15.919 -27.940 -1.980 587 HE1 HIS 85 HE1 HIS 85 12.320 -25.737 -1.588 588 HE2 HIS 85 HE2 HIS 85 13.948 -26.787 -3.191 589 H HIS 86 H HIS 86 16.450 -25.147 3.724 590 HA HIS 86 HA HIS 86 19.108 -25.898 4.700 591 HB2 HIS 86 HB2 HIS 86 16.953 -24.157 5.973 592 HB3 HIS 86 HB3 HIS 86 18.583 -24.385 6.602 593 HD1 HIS 86 HD1 HIS 86 20.430 -23.869 4.414 594 HD2 HIS 86 HD2 HIS 86 16.863 -21.749 4.684 595 HE1 HIS 86 HE1 HIS 86 20.771 -21.803 3.042 596 HE2 HIS 86 HE2 HIS 86 18.674 -20.466 3.359 597 H HIS 87 H HIS 87 19.414 -27.773 5.696 598 HA HIS 87 HA HIS 87 17.254 -29.107 7.215 599 HB2 HIS 87 HB2 HIS 87 18.424 -30.384 5.412 600 HB3 HIS 87 HB3 HIS 87 19.948 -30.192 6.267 601 HD1 HIS 87 HD1 HIS 87 16.488 -31.569 7.141 602 HD2 HIS 87 HD2 HIS 87 20.508 -32.448 7.700 603 HE1 HIS 87 HE1 HIS 87 16.534 -33.718 8.424 604 HE2 HIS 87 HE2 HIS 87 18.958 -34.109 8.925 Start of MODEL 11 1 H1 MET 1 H1 MET 1 -6.882 23.210 0.782 2 H2 MET 1 H2 MET 1 -6.941 24.106 2.213 3 H3 MET 1 H3 MET 1 -7.859 22.695 2.066 4 HA MET 1 HA MET 1 -4.898 22.850 2.070 5 HB2 MET 1 HB2 MET 1 -6.822 21.848 4.218 6 HB3 MET 1 HB3 MET 1 -5.075 21.650 4.283 7 HG2 MET 1 HG2 MET 1 -5.755 23.492 5.710 8 HG3 MET 1 HG3 MET 1 -4.807 24.105 4.354 9 HE1 MET 1 HE1 MET 1 -5.644 26.582 4.897 10 HE2 MET 1 HE2 MET 1 -6.652 26.017 6.235 11 HE3 MET 1 HE3 MET 1 -7.342 27.048 4.983 12 H ASP 2 H ASP 2 -4.717 21.553 0.171 13 HA ASP 2 HA ASP 2 -5.920 18.901 0.076 14 HB2 ASP 2 HB2 ASP 2 -4.638 18.640 -2.088 15 HB3 ASP 2 HB3 ASP 2 -5.755 20.002 -2.046 16 H GLU 3 H GLU 3 -5.134 17.272 1.210 17 HA GLU 3 HA GLU 3 -2.265 17.157 1.935 18 HB2 GLU 3 HB2 GLU 3 -2.933 15.566 3.713 19 HB3 GLU 3 HB3 GLU 3 -3.707 17.127 3.890 20 HG2 GLU 3 HG2 GLU 3 -5.152 14.826 2.576 21 HG3 GLU 3 HG3 GLU 3 -5.067 14.945 4.328 22 H ASP 4 H ASP 4 -1.294 14.934 2.087 23 HA ASP 4 HA ASP 4 -2.041 13.297 -0.288 24 HB2 ASP 4 HB2 ASP 4 0.347 13.000 -0.778 25 HB3 ASP 4 HB3 ASP 4 -0.047 14.718 -0.728 26 H ALA 5 H ALA 5 -1.072 11.103 -0.285 27 HA ALA 5 HA ALA 5 -0.546 9.903 2.365 28 HB1 ALA 5 HB1 ALA 5 -1.993 7.982 1.804 29 HB2 ALA 5 HB2 ALA 5 -2.447 8.760 0.284 30 HB3 ALA 5 HB3 ALA 5 -2.917 9.486 1.820 31 H THR 6 H THR 6 1.078 8.403 2.344 32 HA THR 6 HA THR 6 2.531 7.963 -0.194 33 HB THR 6 HB THR 6 4.524 7.496 1.193 34 HG1 THR 6 HG1 THR 6 3.018 8.236 3.500 35 HG21 THR 6 HG21 THR 6 3.165 10.096 2.027 36 HG22 THR 6 HG22 THR 6 4.122 9.857 0.562 37 HG23 THR 6 HG23 THR 6 4.895 9.752 2.145 38 H ILE 7 H ILE 7 2.576 5.986 -1.044 39 HA ILE 7 HA ILE 7 1.676 3.638 0.514 40 HB ILE 7 HB ILE 7 1.791 3.890 -2.538 41 HG12 ILE 7 HG12 ILE 7 -0.820 3.800 -2.300 42 HG13 ILE 7 HG13 ILE 7 -0.559 4.324 -0.642 43 HG21 ILE 7 HG21 ILE 7 0.444 1.803 -2.513 44 HG22 ILE 7 HG22 ILE 7 0.585 1.734 -0.759 45 HG23 ILE 7 HG23 ILE 7 2.026 1.581 -1.768 46 HD11 ILE 7 HD11 ILE 7 -1.137 6.184 -2.083 47 HD12 ILE 7 HD12 ILE 7 0.231 5.830 -3.138 48 HD13 ILE 7 HD13 ILE 7 0.510 6.374 -1.481 49 H THR 8 H THR 8 3.403 2.536 1.273 50 HA THR 8 HA THR 8 5.825 2.177 -0.408 51 HB THR 8 HB THR 8 5.712 2.433 2.640 52 HG1 THR 8 HG1 THR 8 5.554 4.468 1.809 53 HG21 THR 8 HG21 THR 8 8.186 2.422 2.555 54 HG22 THR 8 HG22 THR 8 8.138 2.139 0.813 55 HG23 THR 8 HG23 THR 8 7.535 0.906 1.925 56 H TYR 9 H TYR 9 5.933 0.125 -1.073 57 HA TYR 9 HA TYR 9 4.808 -2.162 0.283 58 HB2 TYR 9 HB2 TYR 9 6.834 -1.989 -2.001 59 HB3 TYR 9 HB3 TYR 9 6.103 -3.484 -1.433 60 HD1 TYR 9 HD2 TYR 9 5.045 -0.091 -2.753 61 HD2 TYR 9 HD1 TYR 9 4.237 -4.287 -2.612 62 HE1 TYR 9 HE2 TYR 9 3.209 0.205 -4.355 63 HE2 TYR 9 HE1 TYR 9 2.410 -3.991 -4.219 64 HH TYR 9 HH TYR 9 1.901 -1.009 -5.905 65 H VAL 10 H VAL 10 5.969 -3.763 1.518 66 HA VAL 10 HA VAL 10 8.807 -3.286 2.167 67 HB VAL 10 HB VAL 10 8.373 -3.555 4.644 68 HG11 VAL 10 HG11 VAL 10 7.085 -1.089 3.418 69 HG12 VAL 10 HG12 VAL 10 8.802 -1.317 3.755 70 HG13 VAL 10 HG13 VAL 10 7.649 -1.238 5.087 71 HG21 VAL 10 HG21 VAL 10 6.094 -3.132 5.546 72 HG22 VAL 10 HG22 VAL 10 6.156 -4.609 4.585 73 HG23 VAL 10 HG23 VAL 10 5.444 -3.145 3.902 74 H ASP 11 H ASP 11 9.957 -5.183 2.298 75 HA ASP 11 HA ASP 11 8.737 -7.787 2.444 76 HB2 ASP 11 HB2 ASP 11 11.599 -6.796 2.544 77 HB3 ASP 11 HB3 ASP 11 11.255 -8.450 3.014 78 H ASP 12 H ASP 12 7.735 -8.366 4.327 79 HA ASP 12 HA ASP 12 8.588 -7.901 6.985 80 HB2 ASP 12 HB2 ASP 12 7.100 -10.274 5.777 81 HB3 ASP 12 HB3 ASP 12 7.241 -9.965 7.505 82 H ASP 13 H ASP 13 9.746 -10.042 4.491 83 HA ASP 13 HA ASP 13 11.411 -11.783 6.003 84 HB2 ASP 13 HB2 ASP 13 11.422 -10.940 3.070 85 HB3 ASP 13 HB3 ASP 13 12.505 -12.165 3.721 86 H LYS 14 H LYS 14 11.785 -8.442 5.086 87 HA LYS 14 HA LYS 14 14.723 -8.496 5.495 88 HB2 LYS 14 HB2 LYS 14 13.318 -7.403 3.368 89 HB3 LYS 14 HB3 LYS 14 13.445 -6.002 4.412 90 HG2 LYS 14 HG2 LYS 14 15.291 -5.887 2.923 91 HG3 LYS 14 HG3 LYS 14 15.961 -6.407 4.471 92 HD2 LYS 14 HD2 LYS 14 16.947 -7.692 2.611 93 HD3 LYS 14 HD3 LYS 14 16.012 -8.750 3.671 94 HE2 LYS 14 HE2 LYS 14 15.645 -9.254 1.265 95 HE3 LYS 14 HE3 LYS 14 14.155 -8.763 2.070 96 HZ1 LYS 14 HZ1 LYS 14 15.853 -7.037 0.341 97 HZ2 LYS 14 HZ2 LYS 14 14.442 -6.541 1.124 98 HZ3 LYS 14 HZ3 LYS 14 14.364 -7.717 -0.083 99 H GLY 15 H GLY 15 12.379 -8.393 7.500 100 HA2 GLY 15 HA2 GLY 15 11.973 -7.470 9.560 101 HA3 GLY 15 HA3 GLY 15 13.488 -6.594 9.409 102 H GLY 16 H GLY 16 10.739 -6.324 7.192 103 HA2 GLY 16 HA2 GLY 16 9.111 -4.702 6.901 104 HA3 GLY 16 HA3 GLY 16 9.646 -3.908 8.372 105 H ALA 17 H ALA 17 11.819 -4.627 5.667 106 HA ALA 17 HA ALA 17 12.256 -1.737 5.197 107 HB1 ALA 17 HB1 ALA 17 13.927 -4.130 4.346 108 HB2 ALA 17 HB2 ALA 17 14.228 -3.098 5.746 109 HB3 ALA 17 HB3 ALA 17 14.357 -2.431 4.119 110 H GLN 18 H GLN 18 12.607 -1.018 2.902 111 HA GLN 18 HA GLN 18 10.077 -1.375 1.660 112 HB2 GLN 18 HB2 GLN 18 11.204 0.803 1.791 113 HB3 GLN 18 HB3 GLN 18 12.493 0.232 0.737 114 HG2 GLN 18 HG2 GLN 18 10.859 -0.010 -1.116 115 HG3 GLN 18 HG3 GLN 18 9.579 0.578 -0.054 116 HE21 GLN 18 HE21 GLN 18 10.657 1.671 -2.573 117 HE22 GLN 18 HE22 GLN 18 11.103 3.299 -2.218 118 H VAL 19 H VAL 19 9.386 -2.407 -0.122 119 HA VAL 19 HA VAL 19 11.241 -3.698 -2.043 120 HB VAL 19 HB VAL 19 8.200 -4.025 -1.781 121 HG11 VAL 19 HG11 VAL 19 10.165 -5.624 -3.480 122 HG12 VAL 19 HG12 VAL 19 8.962 -4.476 -4.077 123 HG13 VAL 19 HG13 VAL 19 8.440 -5.968 -3.296 124 HG21 VAL 19 HG21 VAL 19 10.379 -5.924 -0.856 125 HG22 VAL 19 HG22 VAL 19 8.641 -6.244 -0.815 126 HG23 VAL 19 HG23 VAL 19 9.325 -4.958 0.180 127 H GLY 20 H GLY 20 11.560 -2.689 -3.979 128 HA2 GLY 20 HA2 GLY 20 11.044 -1.760 -6.025 129 HA3 GLY 20 HA3 GLY 20 9.368 -1.637 -5.524 130 H ASP 21 H ASP 21 8.585 0.375 -4.910 131 HA ASP 21 HA ASP 21 10.354 2.629 -4.378 132 HB2 ASP 21 HB2 ASP 21 10.470 2.460 -6.842 133 HB3 ASP 21 HB3 ASP 21 8.717 2.490 -6.950 134 H ILE 22 H ILE 22 9.231 4.537 -3.693 135 HA ILE 22 HA ILE 22 6.696 4.057 -2.357 136 HB ILE 22 HB ILE 22 8.377 6.610 -2.459 137 HG12 ILE 22 HG12 ILE 22 8.320 4.446 -0.300 138 HG13 ILE 22 HG13 ILE 22 9.613 4.661 -1.473 139 HG21 ILE 22 HG21 ILE 22 7.120 7.300 -0.431 140 HG22 ILE 22 HG22 ILE 22 6.133 5.840 -0.546 141 HG23 ILE 22 HG23 ILE 22 6.039 7.070 -1.808 142 HD11 ILE 22 HD11 ILE 22 8.828 6.621 0.683 143 HD12 ILE 22 HD12 ILE 22 10.115 6.857 -0.504 144 HD13 ILE 22 HD13 ILE 22 10.235 5.556 0.680 145 H VAL 23 H VAL 23 4.731 4.846 -2.932 146 HA VAL 23 HA VAL 23 4.394 6.485 -5.382 147 HB VAL 23 HB VAL 23 2.298 4.807 -3.905 148 HG11 VAL 23 HG11 VAL 23 2.193 6.032 -6.689 149 HG12 VAL 23 HG12 VAL 23 1.302 6.595 -5.271 150 HG13 VAL 23 HG13 VAL 23 0.949 5.009 -5.960 151 HG21 VAL 23 HG21 VAL 23 4.050 3.317 -4.753 152 HG22 VAL 23 HG22 VAL 23 3.894 4.014 -6.368 153 HG23 VAL 23 HG23 VAL 23 2.555 3.098 -5.668 154 H THR 24 H THR 24 3.093 8.431 -5.232 155 HA THR 24 HA THR 24 2.025 9.172 -2.549 156 HB THR 24 HB THR 24 3.474 11.148 -4.375 157 HG1 THR 24 HG1 THR 24 4.910 9.622 -3.336 158 HG21 THR 24 HG21 THR 24 3.362 12.669 -2.412 159 HG22 THR 24 HG22 THR 24 2.436 11.457 -1.523 160 HG23 THR 24 HG23 THR 24 1.746 12.216 -2.961 161 H VAL 25 H VAL 25 -0.096 9.529 -2.727 162 HA VAL 25 HA VAL 25 -1.204 10.689 -5.224 163 HB VAL 25 HB VAL 25 -3.433 9.747 -4.482 164 HG11 VAL 25 HG11 VAL 25 -2.077 8.525 -6.126 165 HG12 VAL 25 HG12 VAL 25 -2.970 7.403 -5.100 166 HG13 VAL 25 HG13 VAL 25 -1.244 7.662 -4.829 167 HG21 VAL 25 HG21 VAL 25 -1.819 8.276 -2.351 168 HG22 VAL 25 HG22 VAL 25 -3.529 8.027 -2.716 169 HG23 VAL 25 HG23 VAL 25 -2.988 9.566 -2.050 170 H THR 26 H THR 26 -2.523 12.521 -5.098 171 HA THR 26 HA THR 26 -2.761 13.889 -2.454 172 HB THR 26 HB THR 26 -2.661 16.091 -3.767 173 HG1 THR 26 HG1 THR 26 -2.688 15.844 -5.866 174 HG21 THR 26 HG21 THR 26 -0.722 15.371 -2.458 175 HG22 THR 26 HG22 THR 26 -0.195 16.126 -3.963 176 HG23 THR 26 HG23 THR 26 -0.155 14.368 -3.801 177 H GLY 27 H GLY 27 -4.709 14.747 -1.928 178 HA2 GLY 27 HA2 GLY 27 -6.763 15.418 -3.828 179 HA3 GLY 27 HA3 GLY 27 -7.106 13.899 -3.000 180 H LYS 28 H LYS 28 -8.857 14.601 -1.787 181 HA LYS 28 HA LYS 28 -8.278 16.570 0.358 182 HB2 LYS 28 HB2 LYS 28 -9.744 17.602 -1.367 183 HB3 LYS 28 HB3 LYS 28 -10.909 16.301 -1.169 184 HG2 LYS 28 HG2 LYS 28 -11.633 18.354 -0.009 185 HG3 LYS 28 HG3 LYS 28 -11.378 17.027 1.127 186 HD2 LYS 28 HD2 LYS 28 -10.474 19.087 2.079 187 HD3 LYS 28 HD3 LYS 28 -9.145 17.986 1.715 188 HE2 LYS 28 HE2 LYS 28 -8.540 20.258 1.070 189 HE3 LYS 28 HE3 LYS 28 -8.700 19.271 -0.381 190 HZ1 LYS 28 HZ1 LYS 28 -9.723 21.458 -0.603 191 HZ2 LYS 28 HZ2 LYS 28 -10.779 21.114 0.669 192 HZ3 LYS 28 HZ3 LYS 28 -10.866 20.226 -0.765 193 H THR 29 H THR 29 -9.036 16.095 2.373 194 HA THR 29 HA THR 29 -9.346 13.511 3.261 195 HB THR 29 HB THR 29 -8.703 15.256 4.791 196 HG1 THR 29 HG1 THR 29 -9.891 13.369 5.595 197 HG21 THR 29 HG21 THR 29 -10.065 17.137 3.952 198 HG22 THR 29 HG22 THR 29 -10.276 16.938 5.691 199 HG23 THR 29 HG23 THR 29 -11.531 16.377 4.584 200 H ASP 30 H ASP 30 -11.964 15.672 2.248 201 HA ASP 30 HA ASP 30 -14.162 14.143 3.212 202 HB2 ASP 30 HB2 ASP 30 -14.363 16.525 2.642 203 HB3 ASP 30 HB3 ASP 30 -13.973 16.190 0.960 204 H ASP 31 H ASP 31 -12.218 13.940 0.287 205 HA ASP 31 HA ASP 31 -14.029 11.984 -0.983 206 HB2 ASP 31 HB2 ASP 31 -11.530 13.314 -2.121 207 HB3 ASP 31 HB3 ASP 31 -12.703 12.347 -3.014 208 H SER 32 H SER 32 -13.081 10.058 -1.981 209 HA SER 32 HA SER 32 -10.579 9.045 -0.746 210 HB2 SER 32 HB2 SER 32 -11.585 6.828 -0.409 211 HB3 SER 32 HB3 SER 32 -12.521 8.046 0.454 212 HG SER 32 HG SER 32 -13.888 6.619 -0.653 213 H THR 33 H THR 33 -9.541 7.420 -1.896 214 HA THR 33 HA THR 33 -10.167 7.043 -4.772 215 HB THR 33 HB THR 33 -8.435 8.776 -4.709 216 HG1 THR 33 HG1 THR 33 -6.744 7.578 -5.850 217 HG21 THR 33 HG21 THR 33 -7.440 8.339 -2.488 218 HG22 THR 33 HG22 THR 33 -6.194 8.384 -3.735 219 HG23 THR 33 HG23 THR 33 -6.740 6.834 -3.088 220 H THR 34 H THR 34 -9.031 5.100 -5.708 221 HA THR 34 HA THR 34 -8.352 3.054 -3.636 222 HB THR 34 HB THR 34 -9.847 2.494 -6.245 223 HG1 THR 34 HG1 THR 34 -10.708 2.939 -3.583 224 HG21 THR 34 HG21 THR 34 -10.219 0.240 -5.276 225 HG22 THR 34 HG22 THR 34 -9.235 0.669 -3.874 226 HG23 THR 34 HG23 THR 34 -8.494 0.558 -5.473 227 H TYR 35 H TYR 35 -6.436 2.117 -3.857 228 HA TYR 35 HA TYR 35 -4.879 2.341 -6.371 229 HB2 TYR 35 HB2 TYR 35 -3.887 3.648 -4.545 230 HB3 TYR 35 HB3 TYR 35 -3.966 2.271 -3.457 231 HD1 TYR 35 HD2 TYR 35 -2.235 3.608 -6.484 232 HD2 TYR 35 HD1 TYR 35 -2.194 0.620 -3.425 233 HE1 TYR 35 HE2 TYR 35 0.028 2.938 -7.164 234 HE2 TYR 35 HE1 TYR 35 0.064 -0.052 -4.111 235 HH TYR 35 HH TYR 35 1.929 1.783 -6.395 236 H THR 36 H THR 36 -4.286 0.407 -7.335 237 HA THR 36 HA THR 36 -4.867 -2.117 -5.949 238 HB THR 36 HB THR 36 -5.645 -1.989 -8.264 239 HG1 THR 36 HG1 THR 36 -3.484 -3.845 -7.945 240 HG21 THR 36 HG21 THR 36 -3.952 -0.478 -9.251 241 HG22 THR 36 HG22 THR 36 -4.097 -1.967 -10.187 242 HG23 THR 36 HG23 THR 36 -2.726 -1.742 -9.099 243 H VAL 37 H VAL 37 -3.384 -3.638 -5.387 244 HA VAL 37 HA VAL 37 -0.656 -2.874 -4.915 245 HB VAL 37 HB VAL 37 -2.020 -5.573 -4.441 246 HG11 VAL 37 HG11 VAL 37 0.579 -4.494 -3.283 247 HG12 VAL 37 HG12 VAL 37 0.427 -5.784 -4.479 248 HG13 VAL 37 HG13 VAL 37 -0.188 -6.025 -2.845 249 HG21 VAL 37 HG21 VAL 37 -1.626 -3.285 -2.471 250 HG22 VAL 37 HG22 VAL 37 -2.293 -4.874 -2.086 251 HG23 VAL 37 HG23 VAL 37 -3.161 -3.794 -3.177 252 H THR 38 H THR 38 1.098 -3.452 -6.081 253 HA THR 38 HA THR 38 0.787 -5.103 -8.514 254 HB THR 38 HB THR 38 2.862 -3.998 -9.326 255 HG1 THR 38 HG1 THR 38 3.047 -3.183 -6.722 256 HG21 THR 38 HG21 THR 38 1.969 -1.716 -9.663 257 HG22 THR 38 HG22 THR 38 0.781 -1.979 -8.384 258 HG23 THR 38 HG23 THR 38 0.700 -2.924 -9.874 259 H ILE 39 H ILE 39 1.288 -7.183 -8.027 260 HA ILE 39 HA ILE 39 3.412 -7.864 -6.109 261 HB ILE 39 HB ILE 39 1.410 -9.674 -7.547 262 HG12 ILE 39 HG12 ILE 39 0.302 -8.163 -5.930 263 HG13 ILE 39 HG13 ILE 39 0.252 -9.823 -5.349 264 HG21 ILE 39 HG21 ILE 39 3.362 -10.370 -5.310 265 HG22 ILE 39 HG22 ILE 39 3.436 -10.941 -6.979 266 HG23 ILE 39 HG23 ILE 39 2.105 -11.442 -5.935 267 HD11 ILE 39 HD11 ILE 39 0.713 -8.258 -3.555 268 HD12 ILE 39 HD12 ILE 39 2.145 -7.674 -4.400 269 HD13 ILE 39 HD13 ILE 39 2.086 -9.336 -3.805 270 HA PRO 40 HA PRO 40 6.021 -8.631 -9.826 271 HB2 PRO 40 HB2 PRO 40 8.447 -8.498 -8.590 272 HB3 PRO 40 HB3 PRO 40 7.523 -7.050 -9.008 273 HG2 PRO 40 HG2 PRO 40 7.772 -8.431 -6.346 274 HG3 PRO 40 HG3 PRO 40 7.783 -6.694 -6.705 275 HD2 PRO 40 HD2 PRO 40 5.561 -8.062 -5.777 276 HD3 PRO 40 HD3 PRO 40 5.472 -6.565 -6.730 277 H ASP 41 H ASP 41 6.897 -10.511 -10.618 278 HA ASP 41 HA ASP 41 6.414 -13.010 -9.410 279 HB2 ASP 41 HB2 ASP 41 8.332 -12.338 -11.691 280 HB3 ASP 41 HB3 ASP 41 7.760 -13.958 -11.295 281 H GLY 42 H GLY 42 7.451 -13.939 -7.750 282 HA2 GLY 42 HA2 GLY 42 9.569 -14.877 -6.852 283 HA3 GLY 42 HA3 GLY 42 10.318 -13.315 -7.168 284 H TYR 43 H TYR 43 7.737 -11.980 -6.255 285 HA TYR 43 HA TYR 43 7.967 -12.317 -3.311 286 HB2 TYR 43 HB2 TYR 43 6.959 -9.933 -4.944 287 HB3 TYR 43 HB3 TYR 43 6.916 -10.029 -3.187 288 HD1 TYR 43 HD2 TYR 43 9.359 -10.134 -6.066 289 HD2 TYR 43 HD1 TYR 43 8.742 -9.163 -1.944 290 HE1 TYR 43 HE2 TYR 43 11.601 -9.140 -5.962 291 HE2 TYR 43 HE1 TYR 43 10.982 -8.169 -1.848 292 HH TYR 43 HH TYR 43 12.821 -7.484 -4.622 293 H GLU 44 H GLU 44 5.930 -12.208 -2.101 294 HA GLU 44 HA GLU 44 3.450 -12.841 -3.578 295 HB2 GLU 44 HB2 GLU 44 4.980 -14.883 -2.572 296 HB3 GLU 44 HB3 GLU 44 4.029 -14.522 -1.148 297 HG2 GLU 44 HG2 GLU 44 2.834 -15.208 -3.850 298 HG3 GLU 44 HG3 GLU 44 3.178 -16.393 -2.597 299 H TYR 45 H TYR 45 1.546 -12.234 -2.479 300 HA TYR 45 HA TYR 45 1.821 -9.923 -0.832 301 HB2 TYR 45 HB2 TYR 45 0.095 -10.208 -2.612 302 HB3 TYR 45 HB3 TYR 45 -0.690 -11.443 -1.642 303 HD1 TYR 45 HD2 TYR 45 0.262 -7.804 -1.585 304 HD2 TYR 45 HD1 TYR 45 -2.390 -10.804 -0.065 305 HE1 TYR 45 HE2 TYR 45 -1.082 -6.069 -0.489 306 HE2 TYR 45 HE1 TYR 45 -3.730 -9.057 1.026 307 HH TYR 45 HH TYR 45 -3.481 -5.811 0.286 308 H VAL 46 H VAL 46 1.752 -9.709 1.359 309 HA VAL 46 HA VAL 46 0.722 -11.891 3.077 310 HB VAL 46 HB VAL 46 2.434 -9.456 3.777 311 HG11 VAL 46 HG11 VAL 46 1.420 -11.619 5.669 312 HG12 VAL 46 HG12 VAL 46 0.959 -9.915 5.686 313 HG13 VAL 46 HG13 VAL 46 2.614 -10.381 6.075 314 HG21 VAL 46 HG21 VAL 46 3.662 -11.234 2.603 315 HG22 VAL 46 HG22 VAL 46 3.117 -12.421 3.791 316 HG23 VAL 46 HG23 VAL 46 4.196 -11.110 4.281 317 H GLY 47 H GLY 47 0.542 -8.287 2.912 318 HA2 GLY 47 HA2 GLY 47 -2.262 -8.115 3.361 319 HA3 GLY 47 HA3 GLY 47 -1.416 -7.942 4.896 320 H THR 48 H THR 48 -2.533 -5.816 4.810 321 HA THR 48 HA THR 48 -0.703 -3.749 3.811 322 HB THR 48 HB THR 48 -3.656 -3.855 3.054 323 HG1 THR 48 HG1 THR 48 -2.048 -4.831 1.647 324 HG21 THR 48 HG21 THR 48 -3.252 -1.557 3.817 325 HG22 THR 48 HG22 THR 48 -3.374 -1.589 2.058 326 HG23 THR 48 HG23 THR 48 -1.792 -1.458 2.827 327 H ASP 49 H ASP 49 -0.666 -1.930 5.079 328 HA ASP 49 HA ASP 49 -2.254 -1.881 7.585 329 HB2 ASP 49 HB2 ASP 49 0.088 -2.666 7.938 330 HB3 ASP 49 HB3 ASP 49 0.703 -1.209 7.169 331 H GLY 50 H GLY 50 -2.759 0.224 8.422 332 HA2 GLY 50 HA2 GLY 50 -2.932 2.537 8.501 333 HA3 GLY 50 HA3 GLY 50 -1.903 2.666 7.085 334 H GLY 51 H GLY 51 -3.010 1.869 4.975 335 HA2 GLY 51 HA2 GLY 51 -5.504 3.297 4.585 336 HA3 GLY 51 HA3 GLY 51 -4.598 2.399 3.374 337 H VAL 52 H VAL 52 -7.461 2.313 3.688 338 HA VAL 52 HA VAL 52 -8.172 -0.066 5.229 339 HB VAL 52 HB VAL 52 -9.984 1.632 3.444 340 HG11 VAL 52 HG11 VAL 52 -11.847 0.636 4.744 341 HG12 VAL 52 HG12 VAL 52 -10.699 -0.372 5.628 342 HG13 VAL 52 HG13 VAL 52 -10.925 -0.605 3.894 343 HG21 VAL 52 HG21 VAL 52 -10.718 2.749 5.540 344 HG22 VAL 52 HG22 VAL 52 -9.006 3.022 5.219 345 HG23 VAL 52 HG23 VAL 52 -9.494 1.849 6.444 346 H VAL 53 H VAL 53 -7.736 -2.017 4.368 347 HA VAL 53 HA VAL 53 -7.493 -2.371 1.460 348 HB VAL 53 HB VAL 53 -5.610 -3.080 2.898 349 HG11 VAL 53 HG11 VAL 53 -7.482 -5.154 4.082 350 HG12 VAL 53 HG12 VAL 53 -6.809 -3.755 4.919 351 HG13 VAL 53 HG13 VAL 53 -5.741 -5.048 4.371 352 HG21 VAL 53 HG21 VAL 53 -5.218 -5.312 1.921 353 HG22 VAL 53 HG22 VAL 53 -5.915 -4.206 0.737 354 HG23 VAL 53 HG23 VAL 53 -6.930 -5.433 1.497 355 H SER 54 H SER 54 -8.581 -3.977 0.286 356 HA SER 54 HA SER 54 -11.253 -4.659 1.100 357 HB2 SER 54 HB2 SER 54 -11.414 -5.766 -1.119 358 HB3 SER 54 HB3 SER 54 -10.722 -4.150 -1.262 359 HG SER 54 HG SER 54 -8.945 -4.992 -1.997 360 H SER 55 H SER 55 -12.072 -6.966 0.654 361 HA SER 55 HA SER 55 -11.008 -8.775 2.563 362 HB2 SER 55 HB2 SER 55 -13.419 -8.675 1.920 363 HB3 SER 55 HB3 SER 55 -13.014 -9.346 0.337 364 HG SER 55 HG SER 55 -12.110 -11.179 1.592 365 H ASP 56 H ASP 56 -10.640 -8.566 -0.949 366 HA ASP 56 HA ASP 56 -9.214 -11.092 -1.208 367 HB2 ASP 56 HB2 ASP 56 -9.655 -8.876 -3.259 368 HB3 ASP 56 HB3 ASP 56 -9.084 -10.510 -3.600 369 H GLY 57 H GLY 57 -8.393 -7.798 -0.548 370 HA2 GLY 57 HA2 GLY 57 -6.365 -7.048 0.297 371 HA3 GLY 57 HA3 GLY 57 -5.565 -8.483 -0.304 372 H LYS 58 H LYS 58 -6.924 -7.729 -3.052 373 HA LYS 58 HA LYS 58 -4.554 -6.639 -4.192 374 HB2 LYS 58 HB2 LYS 58 -6.094 -8.204 -5.376 375 HB3 LYS 58 HB3 LYS 58 -7.317 -6.944 -5.441 376 HG2 LYS 58 HG2 LYS 58 -5.676 -5.562 -6.808 377 HG3 LYS 58 HG3 LYS 58 -4.641 -6.991 -6.884 378 HD2 LYS 58 HD2 LYS 58 -7.475 -6.739 -7.971 379 HD3 LYS 58 HD3 LYS 58 -5.989 -6.800 -8.919 380 HE2 LYS 58 HE2 LYS 58 -7.092 -9.045 -7.196 381 HE3 LYS 58 HE3 LYS 58 -7.155 -8.962 -8.956 382 HZ1 LYS 58 HZ1 LYS 58 -4.676 -9.103 -7.325 383 HZ2 LYS 58 HZ2 LYS 58 -4.744 -9.047 -9.009 384 HZ3 LYS 58 HZ3 LYS 58 -5.366 -10.383 -8.187 385 H THR 59 H THR 59 -7.728 -5.191 -3.486 386 HA THR 59 HA THR 59 -6.798 -2.556 -4.493 387 HB THR 59 HB THR 59 -9.258 -1.945 -4.524 388 HG1 THR 59 HG1 THR 59 -10.613 -3.295 -3.630 389 HG21 THR 59 HG21 THR 59 -9.802 -3.254 -6.563 390 HG22 THR 59 HG22 THR 59 -8.468 -4.357 -6.213 391 HG23 THR 59 HG23 THR 59 -8.137 -2.668 -6.602 392 H VAL 60 H VAL 60 -6.270 -1.075 -3.037 393 HA VAL 60 HA VAL 60 -7.309 -1.176 -0.253 394 HB VAL 60 HB VAL 60 -4.716 0.130 -1.234 395 HG11 VAL 60 HG11 VAL 60 -5.730 -0.354 1.600 396 HG12 VAL 60 HG12 VAL 60 -5.612 1.207 0.781 397 HG13 VAL 60 HG13 VAL 60 -4.149 0.306 1.173 398 HG21 VAL 60 HG21 VAL 60 -3.505 -1.736 -0.145 399 HG22 VAL 60 HG22 VAL 60 -4.531 -2.309 -1.462 400 HG23 VAL 60 HG23 VAL 60 -5.042 -2.531 0.213 401 H THR 61 H THR 61 -8.876 0.359 0.040 402 HA THR 61 HA THR 61 -9.033 2.743 -1.621 403 HB THR 61 HB THR 61 -10.830 1.969 0.729 404 HG1 THR 61 HG1 THR 61 -11.563 0.504 -0.586 405 HG21 THR 61 HG21 THR 61 -11.026 4.358 0.070 406 HG22 THR 61 HG22 THR 61 -12.482 3.461 -0.364 407 HG23 THR 61 HG23 THR 61 -11.300 3.874 -1.608 408 H ILE 62 H ILE 62 -7.805 4.421 -1.164 409 HA ILE 62 HA ILE 62 -6.805 5.048 1.524 410 HB ILE 62 HB ILE 62 -6.192 6.538 -1.075 411 HG12 ILE 62 HG12 ILE 62 -4.651 4.117 -0.030 412 HG13 ILE 62 HG13 ILE 62 -5.736 4.095 -1.412 413 HG21 ILE 62 HG21 ILE 62 -4.090 7.160 0.062 414 HG22 ILE 62 HG22 ILE 62 -4.580 6.243 1.488 415 HG23 ILE 62 HG23 ILE 62 -5.499 7.669 0.999 416 HD11 ILE 62 HD11 ILE 62 -3.188 5.690 -1.205 417 HD12 ILE 62 HD12 ILE 62 -4.282 5.657 -2.590 418 HD13 ILE 62 HD13 ILE 62 -3.422 4.195 -2.110 419 H THR 63 H THR 63 -7.909 6.574 2.756 420 HA THR 63 HA THR 63 -9.325 8.784 1.351 421 HB THR 63 HB THR 63 -10.184 7.700 4.073 422 HG1 THR 63 HG1 THR 63 -12.082 7.081 2.539 423 HG21 THR 63 HG21 THR 63 -11.568 9.567 2.102 424 HG22 THR 63 HG22 THR 63 -10.803 10.067 3.619 425 HG23 THR 63 HG23 THR 63 -12.228 9.025 3.648 426 H PHE 64 H PHE 64 -8.209 10.568 1.612 427 HA PHE 64 HA PHE 64 -5.957 10.929 3.237 428 HB2 PHE 64 HB2 PHE 64 -7.639 13.111 1.923 429 HB3 PHE 64 HB3 PHE 64 -5.945 13.230 2.382 430 HD1 PHE 64 HD2 PHE 64 -4.202 12.028 1.075 431 HD2 PHE 64 HD1 PHE 64 -8.311 11.997 -0.137 432 HE1 PHE 64 HE2 PHE 64 -3.555 11.210 -1.143 433 HE2 PHE 64 HE1 PHE 64 -7.649 11.175 -2.353 434 HZ PHE 64 HZ PHE 64 -5.272 10.780 -2.858 435 H ALA 65 H ALA 65 -5.563 12.440 5.032 436 HA ALA 65 HA ALA 65 -7.841 13.776 6.298 437 HB1 ALA 65 HB1 ALA 65 -6.233 11.726 7.862 438 HB2 ALA 65 HB2 ALA 65 -7.901 11.528 7.321 439 HB3 ALA 65 HB3 ALA 65 -7.506 12.767 8.514 440 H ALA 66 H ALA 66 -7.302 15.448 7.721 441 HA ALA 66 HA ALA 66 -4.820 16.787 7.533 442 HB1 ALA 66 HB1 ALA 66 -6.922 17.946 8.073 443 HB2 ALA 66 HB2 ALA 66 -5.706 18.260 9.313 444 HB3 ALA 66 HB3 ALA 66 -7.005 17.103 9.622 445 H ASP 67 H ASP 67 -5.970 14.320 9.746 446 HA ASP 67 HA ASP 67 -3.336 14.231 11.102 447 HB2 ASP 67 HB2 ASP 67 -5.277 14.321 12.621 448 HB3 ASP 67 HB3 ASP 67 -5.997 12.923 11.829 449 H ASP 68 H ASP 68 -1.973 12.943 10.055 450 HA ASP 68 HA ASP 68 -2.818 11.283 7.881 451 HB2 ASP 68 HB2 ASP 68 -0.323 10.841 7.586 452 HB3 ASP 68 HB3 ASP 68 -0.842 12.517 7.492 453 H SER 69 H SER 69 -3.997 9.587 8.625 454 HA SER 69 HA SER 69 -2.489 7.285 9.773 455 HB2 SER 69 HB2 SER 69 -4.158 8.125 11.434 456 HB3 SER 69 HB3 SER 69 -5.437 7.939 10.242 457 HG SER 69 HG SER 69 -5.525 6.122 11.434 458 H ASP 70 H ASP 70 -3.258 8.400 7.029 459 HA ASP 70 HA ASP 70 -4.954 6.265 5.885 460 HB2 ASP 70 HB2 ASP 70 -5.246 8.002 4.002 461 HB3 ASP 70 HB3 ASP 70 -6.013 8.343 5.549 462 H ASN 71 H ASN 71 -1.738 7.155 6.089 463 HA ASN 71 HA ASN 71 -0.736 6.626 3.487 464 HB2 ASN 71 HB2 ASN 71 0.669 6.317 6.184 465 HB3 ASN 71 HB3 ASN 71 1.467 6.380 4.612 466 HD21 ASN 71 HD21 ASN 71 -0.161 8.245 7.063 467 HD22 ASN 71 HD22 ASN 71 0.246 9.793 6.422 468 H VAL 72 H VAL 72 -0.132 4.701 2.507 469 HA VAL 72 HA VAL 72 -1.252 2.241 3.713 470 HB VAL 72 HB VAL 72 -0.613 2.903 0.794 471 HG11 VAL 72 HG11 VAL 72 -0.485 0.481 1.210 472 HG12 VAL 72 HG12 VAL 72 -1.887 0.877 0.214 473 HG13 VAL 72 HG13 VAL 72 -2.098 0.507 1.927 474 HG21 VAL 72 HG21 VAL 72 -3.303 2.830 2.209 475 HG22 VAL 72 HG22 VAL 72 -3.059 3.090 0.479 476 HG23 VAL 72 HG23 VAL 72 -2.462 4.275 1.643 477 H VAL 73 H VAL 73 0.212 0.822 4.540 478 HA VAL 73 HA VAL 73 2.908 0.550 3.333 479 HB VAL 73 HB VAL 73 1.985 -0.189 6.161 480 HG11 VAL 73 HG11 VAL 73 4.382 -0.637 6.632 481 HG12 VAL 73 HG12 VAL 73 4.768 -0.357 4.932 482 HG13 VAL 73 HG13 VAL 73 3.744 -1.719 5.392 483 HG21 VAL 73 HG21 VAL 73 3.425 1.668 6.933 484 HG22 VAL 73 HG22 VAL 73 2.149 2.251 5.863 485 HG23 VAL 73 HG23 VAL 73 3.799 2.085 5.256 486 H ILE 74 H ILE 74 2.661 -1.040 1.806 487 HA ILE 74 HA ILE 74 0.807 -3.271 2.207 488 HB ILE 74 HB ILE 74 2.575 -2.578 -0.190 489 HG12 ILE 74 HG12 ILE 74 -0.422 -2.143 0.256 490 HG13 ILE 74 HG13 ILE 74 0.808 -0.886 0.285 491 HG21 ILE 74 HG21 ILE 74 2.082 -4.992 -0.140 492 HG22 ILE 74 HG22 ILE 74 1.203 -4.213 -1.454 493 HG23 ILE 74 HG23 ILE 74 0.354 -4.659 0.029 494 HD11 ILE 74 HD11 ILE 74 0.036 -2.531 -2.116 495 HD12 ILE 74 HD12 ILE 74 1.252 -1.251 -2.078 496 HD13 ILE 74 HD13 ILE 74 -0.442 -0.868 -1.780 497 H HIS 75 H HIS 75 1.462 -5.084 3.177 498 HA HIS 75 HA HIS 75 4.278 -5.634 3.659 499 HB2 HIS 75 HB2 HIS 75 1.677 -6.782 4.743 500 HB3 HIS 75 HB3 HIS 75 3.248 -7.493 5.121 501 HD1 HIS 75 HD1 HIS 75 4.683 -6.328 6.831 502 HD2 HIS 75 HD2 HIS 75 1.315 -4.109 5.834 503 HE1 HIS 75 HE1 HIS 75 4.625 -4.422 8.457 504 HE2 HIS 75 HE2 HIS 75 2.484 -3.219 7.965 505 H LEU 76 H LEU 76 5.428 -7.222 2.760 506 HA LEU 76 HA LEU 76 4.195 -9.206 0.951 507 HB2 LEU 76 HB2 LEU 76 6.633 -7.490 0.284 508 HB3 LEU 76 HB3 LEU 76 6.046 -8.832 -0.690 509 HG LEU 76 HG LEU 76 4.624 -6.180 -0.231 510 HD11 LEU 76 HD11 LEU 76 5.900 -7.324 -2.737 511 HD12 LEU 76 HD12 LEU 76 6.527 -5.997 -1.756 512 HD13 LEU 76 HD13 LEU 76 5.009 -5.802 -2.626 513 HD21 LEU 76 HD21 LEU 76 2.961 -7.984 -0.397 514 HD22 LEU 76 HD22 LEU 76 3.700 -8.554 -1.895 515 HD23 LEU 76 HD23 LEU 76 2.927 -6.968 -1.838 516 H LYS 77 H LYS 77 5.259 -11.149 0.853 517 HA LYS 77 HA LYS 77 7.815 -11.507 2.320 518 HB2 LYS 77 HB2 LYS 77 7.242 -13.881 2.515 519 HB3 LYS 77 HB3 LYS 77 5.942 -12.901 3.184 520 HG2 LYS 77 HG2 LYS 77 4.658 -13.218 1.070 521 HG3 LYS 77 HG3 LYS 77 5.944 -14.277 0.480 522 HD2 LYS 77 HD2 LYS 77 5.523 -15.818 2.399 523 HD3 LYS 77 HD3 LYS 77 4.214 -14.761 2.943 524 HE2 LYS 77 HE2 LYS 77 3.028 -15.170 0.799 525 HE3 LYS 77 HE3 LYS 77 4.325 -16.258 0.302 526 HZ1 LYS 77 HZ1 LYS 77 2.486 -17.497 1.154 527 HZ2 LYS 77 HZ2 LYS 77 2.495 -16.643 2.611 528 HZ3 LYS 77 HZ3 LYS 77 3.788 -17.665 2.216 529 H HIS 78 H HIS 78 9.255 -13.214 1.261 530 HA HIS 78 HA HIS 78 9.257 -13.051 -1.671 531 HB2 HIS 78 HB2 HIS 78 11.089 -14.598 0.218 532 HB3 HIS 78 HB3 HIS 78 11.321 -14.437 -1.526 533 HD1 HIS 78 HD1 HIS 78 12.889 -13.185 1.225 534 HD2 HIS 78 HD2 HIS 78 11.000 -11.252 -1.918 535 HE1 HIS 78 HE1 HIS 78 13.856 -10.877 1.179 536 HE2 HIS 78 HE2 HIS 78 12.533 -9.675 -0.586 537 H GLY 79 H GLY 79 8.394 -14.550 -2.996 538 HA2 GLY 79 HA2 GLY 79 6.697 -16.629 -1.958 539 HA3 GLY 79 HA3 GLY 79 6.970 -16.234 -3.649 540 H LEU 80 H LEU 80 7.983 -17.775 -4.804 541 HA LEU 80 HA LEU 80 9.078 -19.662 -5.413 542 HB2 LEU 80 HB2 LEU 80 11.022 -18.857 -3.216 543 HB3 LEU 80 HB3 LEU 80 11.366 -19.980 -4.524 544 HG LEU 80 HG LEU 80 10.858 -16.991 -4.800 545 HD11 LEU 80 HD11 LEU 80 13.196 -16.858 -5.538 546 HD12 LEU 80 HD12 LEU 80 13.398 -18.586 -5.239 547 HD13 LEU 80 HD13 LEU 80 13.069 -17.489 -3.895 548 HD21 LEU 80 HD21 LEU 80 11.390 -17.275 -7.206 549 HD22 LEU 80 HD22 LEU 80 9.914 -18.116 -6.739 550 HD23 LEU 80 HD23 LEU 80 11.405 -19.029 -6.982 551 H GLU 81 H GLU 81 7.003 -19.944 -3.398 552 HA GLU 81 HA GLU 81 7.854 -21.742 -1.313 553 HB2 GLU 81 HB2 GLU 81 5.037 -20.943 -2.156 554 HB3 GLU 81 HB3 GLU 81 5.457 -21.824 -0.689 555 HG2 GLU 81 HG2 GLU 81 6.809 -19.833 0.047 556 HG3 GLU 81 HG3 GLU 81 6.206 -18.961 -1.363 557 H HIS 82 H HIS 82 8.785 -23.430 -2.517 558 HA HIS 82 HA HIS 82 7.178 -25.064 -4.322 559 HB2 HIS 82 HB2 HIS 82 9.615 -24.477 -4.749 560 HB3 HIS 82 HB3 HIS 82 10.056 -25.485 -3.380 561 HD1 HIS 82 HD1 HIS 82 9.619 -28.091 -3.673 562 HD2 HIS 82 HD2 HIS 82 9.208 -25.833 -7.135 563 HE1 HIS 82 HE1 HIS 82 9.734 -29.724 -5.563 564 HE2 HIS 82 HE2 HIS 82 9.677 -28.316 -7.639 565 H HIS 83 H HIS 83 5.702 -25.356 -2.359 566 HA HIS 83 HA HIS 83 6.194 -28.003 -1.157 567 HB2 HIS 83 HB2 HIS 83 5.279 -25.561 0.455 568 HB3 HIS 83 HB3 HIS 83 5.254 -27.217 1.056 569 HD1 HIS 83 HD1 HIS 83 7.372 -24.257 0.933 570 HD2 HIS 83 HD2 HIS 83 7.970 -28.355 1.288 571 HE1 HIS 83 HE1 HIS 83 9.702 -24.532 1.816 572 HE2 HIS 83 HE2 HIS 83 9.973 -27.002 2.172 573 H HIS 84 H HIS 84 4.225 -29.085 -0.494 574 HA HIS 84 HA HIS 84 1.864 -28.393 -2.057 575 HB2 HIS 84 HB2 HIS 84 2.779 -30.761 -1.749 576 HB3 HIS 84 HB3 HIS 84 2.246 -30.691 -0.077 577 HD1 HIS 84 HD1 HIS 84 1.008 -31.096 -3.566 578 HD2 HIS 84 HD2 HIS 84 -0.564 -30.986 0.276 579 HE1 HIS 84 HE1 HIS 84 -1.338 -31.942 -3.775 580 HE2 HIS 84 HE2 HIS 84 -2.229 -31.978 -1.429 581 H HIS 85 H HIS 85 1.174 -26.398 -1.046 582 HA HIS 85 HA HIS 85 0.150 -26.632 1.729 583 HB2 HIS 85 HB2 HIS 85 0.929 -24.373 2.294 584 HB3 HIS 85 HB3 HIS 85 2.273 -25.397 1.831 585 HD1 HIS 85 HD1 HIS 85 2.553 -24.994 -1.125 586 HD2 HIS 85 HD2 HIS 85 1.510 -21.869 1.406 587 HE1 HIS 85 HE1 HIS 85 3.182 -22.897 -2.345 588 HE2 HIS 85 HE2 HIS 85 2.552 -21.025 -0.796 589 H HIS 86 H HIS 86 -1.830 -27.144 0.636 590 HA HIS 86 HA HIS 86 -3.966 -26.749 -0.017 591 HB2 HIS 86 HB2 HIS 86 -3.530 -24.212 1.607 592 HB3 HIS 86 HB3 HIS 86 -5.103 -24.871 1.174 593 HD1 HIS 86 HD1 HIS 86 -5.947 -26.913 2.528 594 HD2 HIS 86 HD2 HIS 86 -2.171 -25.600 3.673 595 HE1 HIS 86 HE1 HIS 86 -5.454 -28.063 4.696 596 HE2 HIS 86 HE2 HIS 86 -3.269 -27.108 5.456 597 H HIS 87 H HIS 87 -3.310 -26.560 -2.287 598 HA HIS 87 HA HIS 87 -3.330 -25.685 -4.380 599 HB2 HIS 87 HB2 HIS 87 -5.660 -25.214 -3.959 600 HB3 HIS 87 HB3 HIS 87 -5.275 -23.757 -3.058 601 HD1 HIS 87 HD1 HIS 87 -4.948 -25.054 -6.639 602 HD2 HIS 87 HD2 HIS 87 -5.446 -21.478 -4.572 603 HE1 HIS 87 HE1 HIS 87 -5.274 -23.293 -8.395 604 HE2 HIS 87 HE2 HIS 87 -5.653 -21.162 -7.119 Start of MODEL 12 1 H1 MET 1 H1 MET 1 -5.546 21.861 3.986 2 H2 MET 1 H2 MET 1 -4.143 22.678 4.457 3 H3 MET 1 H3 MET 1 -4.143 20.990 4.339 4 HA MET 1 HA MET 1 -4.493 22.883 2.079 5 HB2 MET 1 HB2 MET 1 -2.147 21.066 2.788 6 HB3 MET 1 HB3 MET 1 -2.263 22.039 1.327 7 HG2 MET 1 HG2 MET 1 -2.261 24.088 2.706 8 HG3 MET 1 HG3 MET 1 -2.097 23.097 4.157 9 HE1 MET 1 HE1 MET 1 0.071 21.493 4.592 10 HE2 MET 1 HE2 MET 1 1.475 21.471 3.528 11 HE3 MET 1 HE3 MET 1 -0.053 20.784 2.978 12 H ASP 2 H ASP 2 -3.996 21.584 -0.072 13 HA ASP 2 HA ASP 2 -5.731 19.391 -0.473 14 HB2 ASP 2 HB2 ASP 2 -3.253 20.154 -2.094 15 HB3 ASP 2 HB3 ASP 2 -4.527 19.058 -2.634 16 H GLU 3 H GLU 3 -5.513 17.275 0.165 17 HA GLU 3 HA GLU 3 -3.229 16.804 1.927 18 HB2 GLU 3 HB2 GLU 3 -5.819 16.603 2.494 19 HB3 GLU 3 HB3 GLU 3 -5.671 15.006 1.772 20 HG2 GLU 3 HG2 GLU 3 -5.414 14.787 4.151 21 HG3 GLU 3 HG3 GLU 3 -3.839 14.490 3.404 22 H ASP 4 H ASP 4 -1.841 15.031 1.774 23 HA ASP 4 HA ASP 4 -2.079 13.319 -0.650 24 HB2 ASP 4 HB2 ASP 4 0.426 13.235 -0.671 25 HB3 ASP 4 HB3 ASP 4 -0.223 14.850 -0.940 26 H ALA 5 H ALA 5 -2.112 11.187 -0.383 27 HA ALA 5 HA ALA 5 -1.325 9.951 2.205 28 HB1 ALA 5 HB1 ALA 5 -2.956 8.164 1.719 29 HB2 ALA 5 HB2 ALA 5 -3.414 8.977 0.219 30 HB3 ALA 5 HB3 ALA 5 -3.745 9.744 1.773 31 H THR 6 H THR 6 0.232 8.380 2.109 32 HA THR 6 HA THR 6 1.402 7.782 -0.558 33 HB THR 6 HB THR 6 2.811 9.258 0.840 34 HG1 THR 6 HG1 THR 6 4.185 8.216 -0.357 35 HG21 THR 6 HG21 THR 6 2.225 8.463 3.107 36 HG22 THR 6 HG22 THR 6 3.968 8.412 2.844 37 HG23 THR 6 HG23 THR 6 3.024 6.922 2.781 38 H ILE 7 H ILE 7 1.987 5.723 -1.071 39 HA ILE 7 HA ILE 7 1.174 3.524 0.739 40 HB ILE 7 HB ILE 7 1.239 3.421 -2.326 41 HG12 ILE 7 HG12 ILE 7 -1.340 3.041 -1.989 42 HG13 ILE 7 HG13 ILE 7 -1.108 3.746 -0.396 43 HG21 ILE 7 HG21 ILE 7 0.167 1.186 -2.058 44 HG22 ILE 7 HG22 ILE 7 0.328 1.323 -0.307 45 HG23 ILE 7 HG23 ILE 7 1.769 1.240 -1.320 46 HD11 ILE 7 HD11 ILE 7 -0.583 5.103 -3.047 47 HD12 ILE 7 HD12 ILE 7 -0.338 5.828 -1.456 48 HD13 ILE 7 HD13 ILE 7 -1.960 5.374 -1.977 49 H THR 8 H THR 8 2.918 2.594 1.611 50 HA THR 8 HA THR 8 5.543 2.604 0.258 51 HB THR 8 HB THR 8 4.847 2.181 3.210 52 HG1 THR 8 HG1 THR 8 4.612 4.376 2.212 53 HG21 THR 8 HG21 THR 8 6.959 1.037 2.609 54 HG22 THR 8 HG22 THR 8 7.283 2.453 3.610 55 HG23 THR 8 HG23 THR 8 7.562 2.523 1.868 56 H TYR 9 H TYR 9 5.899 0.709 -0.848 57 HA TYR 9 HA TYR 9 4.849 -1.862 0.048 58 HB2 TYR 9 HB2 TYR 9 6.627 -1.057 -2.291 59 HB3 TYR 9 HB3 TYR 9 6.233 -2.736 -1.939 60 HD1 TYR 9 HD2 TYR 9 4.856 0.486 -3.189 61 HD2 TYR 9 HD1 TYR 9 3.977 -3.619 -2.331 62 HE1 TYR 9 HE2 TYR 9 2.761 0.663 -4.454 63 HE2 TYR 9 HE1 TYR 9 1.887 -3.432 -3.600 64 HH TYR 9 HH TYR 9 0.285 -1.471 -4.232 65 H VAL 10 H VAL 10 5.875 -3.135 1.486 66 HA VAL 10 HA VAL 10 8.788 -2.851 1.930 67 HB VAL 10 HB VAL 10 8.472 -3.284 4.334 68 HG11 VAL 10 HG11 VAL 10 7.519 -1.111 5.004 69 HG12 VAL 10 HG12 VAL 10 6.827 -0.907 3.392 70 HG13 VAL 10 HG13 VAL 10 8.579 -0.951 3.602 71 HG21 VAL 10 HG21 VAL 10 6.231 -3.230 5.393 72 HG22 VAL 10 HG22 VAL 10 6.400 -4.596 4.293 73 HG23 VAL 10 HG23 VAL 10 5.477 -3.177 3.794 74 H ASP 11 H ASP 11 9.899 -4.673 2.570 75 HA ASP 11 HA ASP 11 8.867 -7.248 1.656 76 HB2 ASP 11 HB2 ASP 11 11.055 -6.200 0.862 77 HB3 ASP 11 HB3 ASP 11 11.696 -6.428 2.480 78 H ASP 12 H ASP 12 7.689 -8.088 3.307 79 HA ASP 12 HA ASP 12 7.973 -7.571 6.053 80 HB2 ASP 12 HB2 ASP 12 5.887 -8.305 4.800 81 HB3 ASP 12 HB3 ASP 12 6.535 -9.939 4.781 82 H ASP 13 H ASP 13 9.419 -10.097 4.051 83 HA ASP 13 HA ASP 13 10.441 -11.631 6.332 84 HB2 ASP 13 HB2 ASP 13 10.697 -11.992 3.325 85 HB3 ASP 13 HB3 ASP 13 11.612 -12.980 4.459 86 H LYS 14 H LYS 14 11.474 -8.857 4.716 87 HA LYS 14 HA LYS 14 14.303 -9.254 5.549 88 HB2 LYS 14 HB2 LYS 14 13.710 -8.864 3.037 89 HB3 LYS 14 HB3 LYS 14 13.315 -7.222 3.501 90 HG2 LYS 14 HG2 LYS 14 15.473 -6.867 2.811 91 HG3 LYS 14 HG3 LYS 14 15.815 -7.282 4.488 92 HD2 LYS 14 HD2 LYS 14 15.958 -9.220 2.134 93 HD3 LYS 14 HD3 LYS 14 17.340 -8.404 2.862 94 HE2 LYS 14 HE2 LYS 14 16.883 -9.587 5.000 95 HE3 LYS 14 HE3 LYS 14 15.538 -10.431 4.228 96 HZ1 LYS 14 HZ1 LYS 14 18.372 -10.594 3.344 97 HZ2 LYS 14 HZ2 LYS 14 17.072 -11.463 2.704 98 HZ3 LYS 14 HZ3 LYS 14 17.582 -11.754 4.287 99 H GLY 15 H GLY 15 12.316 -8.584 7.408 100 HA2 GLY 15 HA2 GLY 15 11.916 -7.183 9.190 101 HA3 GLY 15 HA3 GLY 15 13.402 -6.360 8.760 102 H GLY 16 H GLY 16 10.734 -6.494 6.499 103 HA2 GLY 16 HA2 GLY 16 9.262 -4.901 5.702 104 HA3 GLY 16 HA3 GLY 16 9.561 -3.938 7.142 105 H ALA 17 H ALA 17 11.907 -5.048 4.649 106 HA ALA 17 HA ALA 17 13.084 -2.427 4.372 107 HB1 ALA 17 HB1 ALA 17 14.426 -4.496 4.224 108 HB2 ALA 17 HB2 ALA 17 14.595 -3.520 2.764 109 HB3 ALA 17 HB3 ALA 17 13.563 -4.957 2.753 110 H GLN 18 H GLN 18 12.756 -0.889 2.778 111 HA GLN 18 HA GLN 18 10.394 -0.886 1.239 112 HB2 GLN 18 HB2 GLN 18 11.336 1.232 1.879 113 HB3 GLN 18 HB3 GLN 18 12.871 0.872 1.101 114 HG2 GLN 18 HG2 GLN 18 11.584 2.529 -0.184 115 HG3 GLN 18 HG3 GLN 18 11.835 1.055 -1.116 116 HE21 GLN 18 HE21 GLN 18 10.085 1.262 -2.462 117 HE22 GLN 18 HE22 GLN 18 8.446 1.237 -1.934 118 H VAL 19 H VAL 19 9.886 -1.741 -0.647 119 HA VAL 19 HA VAL 19 11.878 -3.022 -2.392 120 HB VAL 19 HB VAL 19 8.820 -3.185 -2.496 121 HG11 VAL 19 HG11 VAL 19 9.166 -5.185 -3.922 122 HG12 VAL 19 HG12 VAL 19 10.909 -4.909 -3.887 123 HG13 VAL 19 HG13 VAL 19 9.845 -3.732 -4.660 124 HG21 VAL 19 HG21 VAL 19 10.771 -5.155 -1.235 125 HG22 VAL 19 HG22 VAL 19 9.031 -5.406 -1.418 126 HG23 VAL 19 HG23 VAL 19 9.632 -4.119 -0.371 127 H GLY 20 H GLY 20 12.723 -1.609 -3.869 128 HA2 GLY 20 HA2 GLY 20 12.862 -0.204 -5.679 129 HA3 GLY 20 HA3 GLY 20 11.132 -0.374 -5.904 130 H ASP 21 H ASP 21 9.884 1.375 -5.477 131 HA ASP 21 HA ASP 21 10.840 3.548 -3.724 132 HB2 ASP 21 HB2 ASP 21 10.223 5.274 -5.393 133 HB3 ASP 21 HB3 ASP 21 11.500 4.223 -5.991 134 H ILE 22 H ILE 22 9.069 5.200 -3.337 135 HA ILE 22 HA ILE 22 6.660 3.724 -2.498 136 HB ILE 22 HB ILE 22 7.675 6.457 -1.578 137 HG12 ILE 22 HG12 ILE 22 7.995 3.711 -0.269 138 HG13 ILE 22 HG13 ILE 22 9.285 4.684 -0.965 139 HG21 ILE 22 HG21 ILE 22 6.105 6.194 0.311 140 HG22 ILE 22 HG22 ILE 22 5.539 4.664 -0.364 141 HG23 ILE 22 HG23 ILE 22 5.250 6.172 -1.232 142 HD11 ILE 22 HD11 ILE 22 9.340 4.805 1.435 143 HD12 ILE 22 HD12 ILE 22 7.664 5.348 1.491 144 HD13 ILE 22 HD13 ILE 22 8.905 6.384 0.781 145 H VAL 23 H VAL 23 4.535 4.424 -2.973 146 HA VAL 23 HA VAL 23 4.275 6.247 -5.302 147 HB VAL 23 HB VAL 23 2.356 4.075 -4.323 148 HG11 VAL 23 HG11 VAL 23 1.167 5.855 -5.530 149 HG12 VAL 23 HG12 VAL 23 1.197 4.374 -6.488 150 HG13 VAL 23 HG13 VAL 23 2.282 5.707 -6.894 151 HG21 VAL 23 HG21 VAL 23 3.094 2.745 -6.274 152 HG22 VAL 23 HG22 VAL 23 4.430 3.066 -5.168 153 HG23 VAL 23 HG23 VAL 23 4.294 3.982 -6.671 154 H THR 24 H THR 24 3.885 8.286 -4.411 155 HA THR 24 HA THR 24 1.840 8.616 -2.290 156 HB THR 24 HB THR 24 3.684 10.755 -3.464 157 HG1 THR 24 HG1 THR 24 5.106 10.261 -1.858 158 HG21 THR 24 HG21 THR 24 3.169 11.989 -1.365 159 HG22 THR 24 HG22 THR 24 2.063 10.706 -0.873 160 HG23 THR 24 HG23 THR 24 1.699 11.689 -2.296 161 H VAL 25 H VAL 25 -0.134 9.525 -2.713 162 HA VAL 25 HA VAL 25 -0.638 10.839 -5.330 163 HB VAL 25 HB VAL 25 -2.992 9.951 -5.263 164 HG11 VAL 25 HG11 VAL 25 -0.859 7.780 -5.260 165 HG12 VAL 25 HG12 VAL 25 -1.321 8.790 -6.633 166 HG13 VAL 25 HG13 VAL 25 -2.475 7.636 -5.963 167 HG21 VAL 25 HG21 VAL 25 -2.027 8.237 -2.928 168 HG22 VAL 25 HG22 VAL 25 -3.582 8.075 -3.752 169 HG23 VAL 25 HG23 VAL 25 -3.219 9.539 -2.839 170 H THR 26 H THR 26 -2.220 12.550 -5.327 171 HA THR 26 HA THR 26 -2.561 13.897 -2.690 172 HB THR 26 HB THR 26 -2.603 16.069 -3.942 173 HG1 THR 26 HG1 THR 26 -3.159 15.616 -5.996 174 HG21 THR 26 HG21 THR 26 -0.083 14.431 -4.448 175 HG22 THR 26 HG22 THR 26 -0.453 15.327 -2.972 176 HG23 THR 26 HG23 THR 26 -0.189 16.193 -4.486 177 H GLY 27 H GLY 27 -4.431 15.224 -2.393 178 HA2 GLY 27 HA2 GLY 27 -6.731 15.329 -3.999 179 HA3 GLY 27 HA3 GLY 27 -6.870 13.910 -2.963 180 H LYS 28 H LYS 28 -8.168 14.375 -1.252 181 HA LYS 28 HA LYS 28 -7.564 16.571 0.535 182 HB2 LYS 28 HB2 LYS 28 -9.096 17.519 -1.389 183 HB3 LYS 28 HB3 LYS 28 -10.382 16.583 -0.641 184 HG2 LYS 28 HG2 LYS 28 -10.529 18.865 0.141 185 HG3 LYS 28 HG3 LYS 28 -10.014 17.844 1.492 186 HD2 LYS 28 HD2 LYS 28 -7.658 18.559 1.138 187 HD3 LYS 28 HD3 LYS 28 -8.161 19.563 -0.226 188 HE2 LYS 28 HE2 LYS 28 -9.027 19.952 2.664 189 HE3 LYS 28 HE3 LYS 28 -7.799 20.897 1.823 190 HZ1 LYS 28 HZ1 LYS 28 -9.492 21.653 0.281 191 HZ2 LYS 28 HZ2 LYS 28 -9.912 22.036 1.870 192 HZ3 LYS 28 HZ3 LYS 28 -10.667 20.746 1.090 193 H THR 29 H THR 29 -8.655 16.333 2.600 194 HA THR 29 HA THR 29 -8.837 13.764 3.583 195 HB THR 29 HB THR 29 -10.022 14.713 5.612 196 HG1 THR 29 HG1 THR 29 -10.892 16.635 5.521 197 HG21 THR 29 HG21 THR 29 -8.192 16.232 6.300 198 HG22 THR 29 HG22 THR 29 -7.615 16.291 4.636 199 HG23 THR 29 HG23 THR 29 -7.572 14.774 5.528 200 H ASP 30 H ASP 30 -11.555 15.697 2.406 201 HA ASP 30 HA ASP 30 -13.646 13.978 3.349 202 HB2 ASP 30 HB2 ASP 30 -13.914 16.424 2.925 203 HB3 ASP 30 HB3 ASP 30 -13.709 16.148 1.203 204 H ASP 31 H ASP 31 -11.692 14.094 0.457 205 HA ASP 31 HA ASP 31 -13.428 12.398 -1.158 206 HB2 ASP 31 HB2 ASP 31 -10.666 13.573 -1.754 207 HB3 ASP 31 HB3 ASP 31 -11.689 12.724 -2.916 208 H SER 32 H SER 32 -12.695 10.424 -2.153 209 HA SER 32 HA SER 32 -10.456 8.949 -0.953 210 HB2 SER 32 HB2 SER 32 -11.877 6.969 -0.453 211 HB3 SER 32 HB3 SER 32 -12.393 8.371 0.487 212 HG SER 32 HG SER 32 -14.115 8.643 -0.896 213 H THR 33 H THR 33 -9.984 6.969 -2.095 214 HA THR 33 HA THR 33 -11.031 6.547 -4.793 215 HB THR 33 HB THR 33 -9.373 8.307 -5.253 216 HG1 THR 33 HG1 THR 33 -7.933 6.925 -6.656 217 HG21 THR 33 HG21 THR 33 -6.950 7.964 -4.855 218 HG22 THR 33 HG22 THR 33 -7.302 6.458 -4.005 219 HG23 THR 33 HG23 THR 33 -7.849 7.996 -3.334 220 H THR 34 H THR 34 -10.085 4.612 -5.858 221 HA THR 34 HA THR 34 -9.192 2.555 -3.906 222 HB THR 34 HB THR 34 -9.929 0.856 -5.587 223 HG1 THR 34 HG1 THR 34 -9.864 1.825 -7.543 224 HG21 THR 34 HG21 THR 34 -11.548 1.528 -3.858 225 HG22 THR 34 HG22 THR 34 -12.370 1.177 -5.380 226 HG23 THR 34 HG23 THR 34 -12.113 2.850 -4.887 227 H TYR 35 H TYR 35 -7.170 1.847 -4.034 228 HA TYR 35 HA TYR 35 -5.494 2.360 -6.430 229 HB2 TYR 35 HB2 TYR 35 -4.735 3.631 -4.490 230 HB3 TYR 35 HB3 TYR 35 -4.788 2.205 -3.467 231 HD1 TYR 35 HD2 TYR 35 -2.923 3.842 -6.249 232 HD2 TYR 35 HD1 TYR 35 -2.904 0.692 -3.360 233 HE1 TYR 35 HE2 TYR 35 -0.554 3.417 -6.717 234 HE2 TYR 35 HE1 TYR 35 -0.539 0.275 -3.822 235 HH TYR 35 HH TYR 35 1.404 2.424 -5.460 236 H THR 36 H THR 36 -4.707 0.561 -7.480 237 HA THR 36 HA THR 36 -5.261 -2.094 -6.402 238 HB THR 36 HB THR 36 -3.941 -1.343 -9.050 239 HG1 THR 36 HG1 THR 36 -6.624 -2.235 -8.733 240 HG21 THR 36 HG21 THR 36 -5.158 -3.989 -8.144 241 HG22 THR 36 HG22 THR 36 -3.438 -3.676 -8.393 242 HG23 THR 36 HG23 THR 36 -4.547 -3.641 -9.764 243 H VAL 37 H VAL 37 -3.786 -3.396 -5.445 244 HA VAL 37 HA VAL 37 -1.128 -2.487 -4.786 245 HB VAL 37 HB VAL 37 -2.466 -5.179 -4.206 246 HG11 VAL 37 HG11 VAL 37 0.007 -3.945 -2.926 247 HG12 VAL 37 HG12 VAL 37 -0.022 -5.341 -4.004 248 HG13 VAL 37 HG13 VAL 37 -0.776 -5.444 -2.414 249 HG21 VAL 37 HG21 VAL 37 -2.295 -2.700 -2.442 250 HG22 VAL 37 HG22 VAL 37 -2.972 -4.260 -1.961 251 HG23 VAL 37 HG23 VAL 37 -3.749 -3.318 -3.234 252 H THR 38 H THR 38 0.812 -3.149 -5.653 253 HA THR 38 HA THR 38 0.798 -4.971 -8.002 254 HB THR 38 HB THR 38 2.713 -2.667 -7.356 255 HG1 THR 38 HG1 THR 38 1.060 -1.631 -8.193 256 HG21 THR 38 HG21 THR 38 3.887 -4.443 -8.609 257 HG22 THR 38 HG22 THR 38 3.631 -3.029 -9.630 258 HG23 THR 38 HG23 THR 38 2.603 -4.451 -9.824 259 H ILE 39 H ILE 39 1.661 -6.922 -7.535 260 HA ILE 39 HA ILE 39 3.672 -7.245 -5.398 261 HB ILE 39 HB ILE 39 2.247 -9.500 -6.886 262 HG12 ILE 39 HG12 ILE 39 0.492 -8.085 -5.847 263 HG13 ILE 39 HG13 ILE 39 0.611 -9.626 -5.012 264 HG21 ILE 39 HG21 ILE 39 4.275 -10.171 -5.664 265 HG22 ILE 39 HG22 ILE 39 2.844 -10.840 -4.878 266 HG23 ILE 39 HG23 ILE 39 3.654 -9.434 -4.182 267 HD11 ILE 39 HD11 ILE 39 0.262 -7.778 -3.474 268 HD12 ILE 39 HD12 ILE 39 1.742 -7.002 -4.039 269 HD13 ILE 39 HD13 ILE 39 1.823 -8.548 -3.188 270 HA PRO 40 HA PRO 40 6.719 -7.712 -8.854 271 HB2 PRO 40 HB2 PRO 40 8.957 -7.903 -7.240 272 HB3 PRO 40 HB3 PRO 40 8.216 -6.364 -7.703 273 HG2 PRO 40 HG2 PRO 40 7.860 -7.950 -5.157 274 HG3 PRO 40 HG3 PRO 40 8.129 -6.203 -5.347 275 HD2 PRO 40 HD2 PRO 40 5.657 -7.214 -4.893 276 HD3 PRO 40 HD3 PRO 40 5.894 -5.800 -5.950 277 H ASP 41 H ASP 41 8.156 -9.426 -9.547 278 HA ASP 41 HA ASP 41 7.163 -12.041 -9.056 279 HB2 ASP 41 HB2 ASP 41 8.932 -12.821 -10.611 280 HB3 ASP 41 HB3 ASP 41 8.058 -11.435 -11.249 281 H GLY 42 H GLY 42 7.958 -13.759 -7.914 282 HA2 GLY 42 HA2 GLY 42 9.277 -14.975 -6.433 283 HA3 GLY 42 HA3 GLY 42 10.454 -13.671 -6.412 284 H TYR 43 H TYR 43 7.530 -12.200 -5.834 285 HA TYR 43 HA TYR 43 7.713 -12.469 -2.888 286 HB2 TYR 43 HB2 TYR 43 6.871 -10.092 -4.603 287 HB3 TYR 43 HB3 TYR 43 6.563 -10.182 -2.873 288 HD1 TYR 43 HD2 TYR 43 9.485 -10.469 -5.261 289 HD2 TYR 43 HD1 TYR 43 8.090 -9.155 -1.434 290 HE1 TYR 43 HE2 TYR 43 11.678 -9.464 -4.802 291 HE2 TYR 43 HE1 TYR 43 10.276 -8.156 -0.982 292 HH TYR 43 HH TYR 43 12.546 -8.304 -1.672 293 H GLU 44 H GLU 44 5.717 -12.234 -1.700 294 HA GLU 44 HA GLU 44 3.195 -12.989 -3.083 295 HB2 GLU 44 HB2 GLU 44 4.084 -13.955 -0.321 296 HB3 GLU 44 HB3 GLU 44 2.629 -14.442 -1.191 297 HG2 GLU 44 HG2 GLU 44 4.009 -15.597 -2.872 298 HG3 GLU 44 HG3 GLU 44 5.476 -15.068 -2.046 299 H TYR 45 H TYR 45 1.241 -12.150 -2.005 300 HA TYR 45 HA TYR 45 1.623 -9.689 -0.497 301 HB2 TYR 45 HB2 TYR 45 -0.140 -9.814 -2.204 302 HB3 TYR 45 HB3 TYR 45 -0.914 -11.148 -1.359 303 HD1 TYR 45 HD2 TYR 45 -0.076 -7.496 -1.040 304 HD2 TYR 45 HD1 TYR 45 -2.522 -10.713 0.372 305 HE1 TYR 45 HE2 TYR 45 -1.432 -5.907 0.252 306 HE2 TYR 45 HE1 TYR 45 -3.870 -9.131 1.663 307 HH TYR 45 HH TYR 45 -3.654 -6.907 2.630 308 H VAL 46 H VAL 46 1.570 -9.474 1.702 309 HA VAL 46 HA VAL 46 0.731 -11.727 3.419 310 HB VAL 46 HB VAL 46 2.239 -9.184 4.202 311 HG11 VAL 46 HG11 VAL 46 2.687 -10.315 6.369 312 HG12 VAL 46 HG12 VAL 46 1.650 -11.659 5.883 313 HG13 VAL 46 HG13 VAL 46 0.961 -10.050 6.116 314 HG21 VAL 46 HG21 VAL 46 3.605 -10.618 2.767 315 HG22 VAL 46 HG22 VAL 46 3.300 -12.002 3.821 316 HG23 VAL 46 HG23 VAL 46 4.226 -10.623 4.419 317 H GLY 47 H GLY 47 0.457 -8.148 3.511 318 HA2 GLY 47 HA2 GLY 47 -2.333 -8.022 3.957 319 HA3 GLY 47 HA3 GLY 47 -1.510 -8.016 5.517 320 H THR 48 H THR 48 -3.057 -5.911 4.883 321 HA THR 48 HA THR 48 -1.248 -3.693 4.069 322 HB THR 48 HB THR 48 -4.282 -3.914 4.044 323 HG1 THR 48 HG1 THR 48 -3.632 -4.581 2.128 324 HG21 THR 48 HG21 THR 48 -4.366 -1.576 3.197 325 HG22 THR 48 HG22 THR 48 -2.644 -1.397 3.542 326 HG23 THR 48 HG23 THR 48 -3.790 -1.640 4.863 327 H ASP 49 H ASP 49 -0.689 -2.194 5.514 328 HA ASP 49 HA ASP 49 -1.935 -2.129 8.202 329 HB2 ASP 49 HB2 ASP 49 0.423 -2.970 8.146 330 HB3 ASP 49 HB3 ASP 49 0.936 -1.446 7.424 331 H GLY 50 H GLY 50 -2.276 -0.064 9.178 332 HA2 GLY 50 HA2 GLY 50 -2.455 2.245 9.333 333 HA3 GLY 50 HA3 GLY 50 -1.655 2.422 7.786 334 H GLY 51 H GLY 51 -3.055 1.698 5.850 335 HA2 GLY 51 HA2 GLY 51 -5.583 3.147 5.959 336 HA3 GLY 51 HA3 GLY 51 -4.785 2.514 4.534 337 H VAL 52 H VAL 52 -7.167 2.069 4.129 338 HA VAL 52 HA VAL 52 -8.256 -0.320 5.491 339 HB VAL 52 HB VAL 52 -9.630 1.446 3.401 340 HG11 VAL 52 HG11 VAL 52 -11.733 0.456 4.247 341 HG12 VAL 52 HG12 VAL 52 -10.820 -0.561 5.365 342 HG13 VAL 52 HG13 VAL 52 -10.650 -0.793 3.623 343 HG21 VAL 52 HG21 VAL 52 -9.047 2.817 5.355 344 HG22 VAL 52 HG22 VAL 52 -9.817 1.654 6.435 345 HG23 VAL 52 HG23 VAL 52 -10.793 2.566 5.280 346 H VAL 53 H VAL 53 -8.582 -2.294 4.422 347 HA VAL 53 HA VAL 53 -7.430 -2.554 1.689 348 HB VAL 53 HB VAL 53 -6.101 -3.659 3.498 349 HG11 VAL 53 HG11 VAL 53 -7.899 -4.290 5.032 350 HG12 VAL 53 HG12 VAL 53 -6.910 -5.691 4.618 351 HG13 VAL 53 HG13 VAL 53 -8.498 -5.480 3.873 352 HG21 VAL 53 HG21 VAL 53 -5.774 -5.826 2.361 353 HG22 VAL 53 HG22 VAL 53 -5.955 -4.515 1.195 354 HG23 VAL 53 HG23 VAL 53 -7.302 -5.615 1.499 355 H SER 54 H SER 54 -8.486 -3.797 0.162 356 HA SER 54 HA SER 54 -11.270 -4.359 0.277 357 HB2 SER 54 HB2 SER 54 -10.109 -3.966 -1.861 358 HB3 SER 54 HB3 SER 54 -9.123 -5.406 -1.626 359 HG SER 54 HG SER 54 -11.356 -5.289 -2.911 360 H SER 55 H SER 55 -12.227 -6.528 -0.127 361 HA SER 55 HA SER 55 -11.730 -8.408 1.924 362 HB2 SER 55 HB2 SER 55 -13.942 -8.100 0.809 363 HB3 SER 55 HB3 SER 55 -13.291 -8.810 -0.671 364 HG SER 55 HG SER 55 -12.849 -10.726 0.663 365 H ASP 56 H ASP 56 -10.604 -8.225 -1.395 366 HA ASP 56 HA ASP 56 -9.583 -10.949 -1.535 367 HB2 ASP 56 HB2 ASP 56 -9.080 -8.648 -3.476 368 HB3 ASP 56 HB3 ASP 56 -8.920 -10.374 -3.803 369 H GLY 57 H GLY 57 -8.330 -7.978 -0.302 370 HA2 GLY 57 HA2 GLY 57 -6.218 -7.128 0.125 371 HA3 GLY 57 HA3 GLY 57 -5.579 -8.739 -0.131 372 H LYS 58 H LYS 58 -7.417 -7.462 -2.683 373 HA LYS 58 HA LYS 58 -5.181 -7.432 -4.539 374 HB2 LYS 58 HB2 LYS 58 -7.179 -8.595 -5.195 375 HB3 LYS 58 HB3 LYS 58 -8.198 -7.227 -4.776 376 HG2 LYS 58 HG2 LYS 58 -7.301 -5.963 -6.710 377 HG3 LYS 58 HG3 LYS 58 -6.274 -7.339 -7.128 378 HD2 LYS 58 HD2 LYS 58 -8.334 -7.273 -8.510 379 HD3 LYS 58 HD3 LYS 58 -8.256 -8.738 -7.528 380 HE2 LYS 58 HE2 LYS 58 -9.802 -7.698 -5.886 381 HE3 LYS 58 HE3 LYS 58 -9.890 -6.254 -6.898 382 HZ1 LYS 58 HZ1 LYS 58 -10.833 -7.622 -8.666 383 HZ2 LYS 58 HZ2 LYS 58 -11.782 -7.681 -7.271 384 HZ3 LYS 58 HZ3 LYS 58 -10.779 -8.984 -7.667 385 H THR 59 H THR 59 -7.648 -5.173 -3.364 386 HA THR 59 HA THR 59 -6.062 -2.843 -4.298 387 HB THR 59 HB THR 59 -8.211 -1.579 -4.527 388 HG1 THR 59 HG1 THR 59 -10.184 -2.690 -4.354 389 HG21 THR 59 HG21 THR 59 -9.075 -2.651 -6.572 390 HG22 THR 59 HG22 THR 59 -8.228 -4.145 -6.165 391 HG23 THR 59 HG23 THR 59 -7.309 -2.688 -6.553 392 H VAL 60 H VAL 60 -6.423 -0.903 -2.964 393 HA VAL 60 HA VAL 60 -7.328 -1.322 -0.192 394 HB VAL 60 HB VAL 60 -5.410 0.171 0.595 395 HG11 VAL 60 HG11 VAL 60 -3.732 -1.636 0.659 396 HG12 VAL 60 HG12 VAL 60 -4.600 -2.498 -0.616 397 HG13 VAL 60 HG13 VAL 60 -5.356 -2.259 0.961 398 HG21 VAL 60 HG21 VAL 60 -4.249 -0.408 -2.159 399 HG22 VAL 60 HG22 VAL 60 -3.393 0.367 -0.821 400 HG23 VAL 60 HG23 VAL 60 -4.776 1.169 -1.565 401 H THR 61 H THR 61 -8.618 0.280 0.578 402 HA THR 61 HA THR 61 -9.465 2.427 -1.160 403 HB THR 61 HB THR 61 -10.300 1.840 1.723 404 HG1 THR 61 HG1 THR 61 -11.474 0.316 0.884 405 HG21 THR 61 HG21 THR 61 -11.657 3.553 -0.403 406 HG22 THR 61 HG22 THR 61 -10.838 4.168 1.036 407 HG23 THR 61 HG23 THR 61 -12.304 3.200 1.203 408 H ILE 62 H ILE 62 -8.042 4.066 -1.389 409 HA ILE 62 HA ILE 62 -6.474 5.149 0.813 410 HB ILE 62 HB ILE 62 -6.714 6.181 -2.058 411 HG12 ILE 62 HG12 ILE 62 -5.907 3.867 -2.118 412 HG13 ILE 62 HG13 ILE 62 -4.599 4.963 -2.537 413 HG21 ILE 62 HG21 ILE 62 -4.537 7.298 -1.609 414 HG22 ILE 62 HG22 ILE 62 -4.598 6.727 0.060 415 HG23 ILE 62 HG23 ILE 62 -5.810 7.869 -0.524 416 HD11 ILE 62 HD11 ILE 62 -3.674 4.693 -0.285 417 HD12 ILE 62 HD12 ILE 62 -3.822 3.161 -1.143 418 HD13 ILE 62 HD13 ILE 62 -4.987 3.580 0.112 419 H THR 63 H THR 63 -7.773 6.323 2.250 420 HA THR 63 HA THR 63 -9.320 8.583 1.086 421 HB THR 63 HB THR 63 -9.799 7.412 3.871 422 HG1 THR 63 HG1 THR 63 -10.312 6.006 1.906 423 HG21 THR 63 HG21 THR 63 -11.938 8.657 3.703 424 HG22 THR 63 HG22 THR 63 -11.484 9.239 2.098 425 HG23 THR 63 HG23 THR 63 -10.569 9.760 3.519 426 H PHE 64 H PHE 64 -8.450 10.509 1.489 427 HA PHE 64 HA PHE 64 -5.872 10.668 2.714 428 HB2 PHE 64 HB2 PHE 64 -7.621 12.931 1.652 429 HB3 PHE 64 HB3 PHE 64 -5.887 13.007 1.945 430 HD1 PHE 64 HD1 PHE 64 -8.520 11.748 -0.331 431 HD2 PHE 64 HD2 PHE 64 -4.303 11.917 0.394 432 HE1 PHE 64 HE1 PHE 64 -8.094 10.946 -2.613 433 HE2 PHE 64 HE2 PHE 64 -3.888 11.118 -1.886 434 HZ PHE 64 HZ PHE 64 -5.777 10.628 -3.396 435 H ALA 65 H ALA 65 -5.217 11.877 4.524 436 HA ALA 65 HA ALA 65 -7.158 13.156 6.299 437 HB1 ALA 65 HB1 ALA 65 -5.579 10.716 7.207 438 HB2 ALA 65 HB2 ALA 65 -7.323 10.783 6.949 439 HB3 ALA 65 HB3 ALA 65 -6.590 11.732 8.243 440 H ALA 66 H ALA 66 -6.118 14.449 7.967 441 HA ALA 66 HA ALA 66 -3.421 15.372 7.338 442 HB1 ALA 66 HB1 ALA 66 -3.868 17.065 9.085 443 HB2 ALA 66 HB2 ALA 66 -5.361 16.229 9.525 444 HB3 ALA 66 HB3 ALA 66 -5.201 16.969 7.931 445 H ASP 67 H ASP 67 -3.485 12.626 8.210 446 HA ASP 67 HA ASP 67 -2.222 12.613 10.883 447 HB2 ASP 67 HB2 ASP 67 -4.355 10.636 9.929 448 HB3 ASP 67 HB3 ASP 67 -3.577 10.645 11.510 449 H ASP 68 H ASP 68 -1.814 9.872 11.082 450 HA ASP 68 HA ASP 68 -0.082 9.118 8.795 451 HB2 ASP 68 HB2 ASP 68 -0.207 7.965 11.621 452 HB3 ASP 68 HB3 ASP 68 0.982 7.553 10.382 453 H SER 69 H SER 69 -3.189 8.644 9.764 454 HA SER 69 HA SER 69 -3.540 5.781 9.553 455 HB2 SER 69 HB2 SER 69 -5.011 7.107 11.002 456 HB3 SER 69 HB3 SER 69 -5.551 8.071 9.629 457 HG SER 69 HG SER 69 -7.026 6.615 9.338 458 H ASP 70 H ASP 70 -3.438 8.359 7.293 459 HA ASP 70 HA ASP 70 -4.977 7.063 5.164 460 HB2 ASP 70 HB2 ASP 70 -4.248 9.092 3.828 461 HB3 ASP 70 HB3 ASP 70 -5.169 9.463 5.281 462 H ASN 71 H ASN 71 -1.688 7.264 6.258 463 HA ASN 71 HA ASN 71 -0.313 6.420 3.912 464 HB2 ASN 71 HB2 ASN 71 0.770 7.508 5.916 465 HB3 ASN 71 HB3 ASN 71 0.507 6.035 6.835 466 HD21 ASN 71 HD21 ASN 71 2.998 7.376 6.243 467 HD22 ASN 71 HD22 ASN 71 3.988 6.253 5.388 468 H VAL 72 H VAL 72 -0.286 4.452 3.005 469 HA VAL 72 HA VAL 72 -1.377 2.083 4.426 470 HB VAL 72 HB VAL 72 -1.307 2.730 1.435 471 HG11 VAL 72 HG11 VAL 72 -1.094 0.309 1.763 472 HG12 VAL 72 HG12 VAL 72 -2.684 0.697 1.109 473 HG13 VAL 72 HG13 VAL 72 -2.506 0.303 2.820 474 HG21 VAL 72 HG21 VAL 72 -2.961 4.092 2.603 475 HG22 VAL 72 HG22 VAL 72 -3.645 2.663 3.376 476 HG23 VAL 72 HG23 VAL 72 -3.786 2.871 1.632 477 H VAL 73 H VAL 73 0.147 0.610 4.958 478 HA VAL 73 HA VAL 73 2.672 0.424 3.425 479 HB VAL 73 HB VAL 73 2.136 -0.528 6.290 480 HG11 VAL 73 HG11 VAL 73 3.913 -1.829 5.185 481 HG12 VAL 73 HG12 VAL 73 4.594 -0.800 6.443 482 HG13 VAL 73 HG13 VAL 73 4.761 -0.342 4.745 483 HG21 VAL 73 HG21 VAL 73 3.499 1.401 7.034 484 HG22 VAL 73 HG22 VAL 73 2.049 1.931 6.179 485 HG23 VAL 73 HG23 VAL 73 3.615 1.971 5.365 486 H ILE 74 H ILE 74 2.586 -1.197 1.984 487 HA ILE 74 HA ILE 74 0.910 -3.573 2.367 488 HB ILE 74 HB ILE 74 2.643 -2.779 -0.032 489 HG12 ILE 74 HG12 ILE 74 0.823 -1.123 0.337 490 HG13 ILE 74 HG13 ILE 74 0.549 -2.041 -1.137 491 HG21 ILE 74 HG21 ILE 74 0.481 -4.919 0.203 492 HG22 ILE 74 HG22 ILE 74 2.217 -5.205 0.053 493 HG23 ILE 74 HG23 ILE 74 1.329 -4.473 -1.282 494 HD11 ILE 74 HD11 ILE 74 -1.129 -3.399 0.036 495 HD12 ILE 74 HD12 ILE 74 -1.517 -1.679 0.084 496 HD13 ILE 74 HD13 ILE 74 -0.842 -2.468 1.509 497 H HIS 75 H HIS 75 1.798 -5.320 3.369 498 HA HIS 75 HA HIS 75 4.714 -5.662 3.571 499 HB2 HIS 75 HB2 HIS 75 2.397 -7.053 4.994 500 HB3 HIS 75 HB3 HIS 75 4.100 -7.434 5.262 501 HD1 HIS 75 HD1 HIS 75 5.191 -6.167 7.098 502 HD2 HIS 75 HD2 HIS 75 1.816 -4.191 5.693 503 HE1 HIS 75 HE1 HIS 75 4.921 -4.163 8.570 504 HE2 HIS 75 HE2 HIS 75 2.804 -3.071 7.799 505 H LEU 76 H LEU 76 5.818 -7.346 2.576 506 HA LEU 76 HA LEU 76 4.254 -9.265 0.921 507 HB2 LEU 76 HB2 LEU 76 6.791 -7.781 0.101 508 HB3 LEU 76 HB3 LEU 76 5.955 -8.983 -0.875 509 HG LEU 76 HG LEU 76 4.841 -6.260 -0.078 510 HD11 LEU 76 HD11 LEU 76 5.065 -5.648 -2.439 511 HD12 LEU 76 HD12 LEU 76 5.817 -7.208 -2.790 512 HD13 LEU 76 HD13 LEU 76 6.629 -6.050 -1.731 513 HD21 LEU 76 HD21 LEU 76 3.045 -7.931 -0.269 514 HD22 LEU 76 HD22 LEU 76 3.604 -8.364 -1.888 515 HD23 LEU 76 HD23 LEU 76 2.962 -6.748 -1.577 516 H LYS 77 H LYS 77 4.932 -11.371 0.910 517 HA LYS 77 HA LYS 77 7.315 -12.193 2.424 518 HB2 LYS 77 HB2 LYS 77 4.848 -13.644 1.430 519 HB3 LYS 77 HB3 LYS 77 6.314 -14.584 1.669 520 HG2 LYS 77 HG2 LYS 77 6.358 -13.668 4.056 521 HG3 LYS 77 HG3 LYS 77 4.728 -13.078 3.753 522 HD2 LYS 77 HD2 LYS 77 4.437 -15.168 4.844 523 HD3 LYS 77 HD3 LYS 77 4.098 -15.492 3.143 524 HE2 LYS 77 HE2 LYS 77 6.753 -16.075 4.519 525 HE3 LYS 77 HE3 LYS 77 5.479 -17.262 4.267 526 HZ1 LYS 77 HZ1 LYS 77 7.145 -17.504 2.589 527 HZ2 LYS 77 HZ2 LYS 77 7.047 -15.880 2.155 528 HZ3 LYS 77 HZ3 LYS 77 5.745 -16.910 1.852 529 H HIS 78 H HIS 78 8.620 -13.981 1.489 530 HA HIS 78 HA HIS 78 9.064 -13.786 -1.419 531 HB2 HIS 78 HB2 HIS 78 10.703 -15.146 0.770 532 HB3 HIS 78 HB3 HIS 78 11.137 -15.094 -0.939 533 HD1 HIS 78 HD1 HIS 78 12.591 -13.755 1.682 534 HD2 HIS 78 HD2 HIS 78 10.533 -11.832 -1.382 535 HE1 HIS 78 HE1 HIS 78 13.507 -11.428 1.620 536 HE2 HIS 78 HE2 HIS 78 12.076 -10.257 -0.071 537 H GLY 79 H GLY 79 8.674 -15.478 -2.790 538 HA2 GLY 79 HA2 GLY 79 7.597 -18.034 -1.747 539 HA3 GLY 79 HA3 GLY 79 7.534 -17.469 -3.413 540 H LEU 80 H LEU 80 8.387 -19.740 -3.790 541 HA LEU 80 HA LEU 80 11.299 -19.987 -3.407 542 HB2 LEU 80 HB2 LEU 80 9.261 -21.907 -4.585 543 HB3 LEU 80 HB3 LEU 80 10.993 -22.218 -4.594 544 HG LEU 80 HG LEU 80 9.235 -21.946 -2.117 545 HD11 LEU 80 HD11 LEU 80 9.767 -24.315 -1.748 546 HD12 LEU 80 HD12 LEU 80 10.666 -24.364 -3.268 547 HD13 LEU 80 HD13 LEU 80 8.925 -24.073 -3.278 548 HD21 LEU 80 HD21 LEU 80 11.269 -22.534 -0.822 549 HD22 LEU 80 HD22 LEU 80 11.441 -20.991 -1.652 550 HD23 LEU 80 HD23 LEU 80 12.237 -22.429 -2.297 551 H GLU 81 H GLU 81 12.466 -18.763 -4.765 552 HA GLU 81 HA GLU 81 11.695 -18.177 -7.497 553 HB2 GLU 81 HB2 GLU 81 13.789 -16.929 -7.633 554 HB3 GLU 81 HB3 GLU 81 13.010 -16.561 -6.098 555 HG2 GLU 81 HG2 GLU 81 14.566 -17.918 -4.870 556 HG3 GLU 81 HG3 GLU 81 15.215 -18.633 -6.342 557 H HIS 82 H HIS 82 12.902 -18.812 -9.398 558 HA HIS 82 HA HIS 82 14.515 -21.266 -9.227 559 HB2 HIS 82 HB2 HIS 82 12.868 -20.955 -11.108 560 HB3 HIS 82 HB3 HIS 82 13.800 -19.576 -11.678 561 HD1 HIS 82 HD1 HIS 82 13.851 -23.315 -11.498 562 HD2 HIS 82 HD2 HIS 82 16.213 -20.261 -13.049 563 HE1 HIS 82 HE1 HIS 82 15.530 -24.442 -12.976 564 HE2 HIS 82 HE2 HIS 82 16.813 -22.573 -14.042 565 H HIS 83 H HIS 83 16.685 -21.126 -8.977 566 HA HIS 83 HA HIS 83 18.185 -18.876 -8.464 567 HB2 HIS 83 HB2 HIS 83 18.877 -21.161 -7.863 568 HB3 HIS 83 HB3 HIS 83 19.113 -21.561 -9.558 569 HD1 HIS 83 HD1 HIS 83 21.485 -21.543 -10.211 570 HD2 HIS 83 HD2 HIS 83 20.767 -18.847 -7.138 571 HE1 HIS 83 HE1 HIS 83 23.724 -20.624 -9.591 572 HE2 HIS 83 HE2 HIS 83 23.289 -19.197 -7.575 573 H HIS 84 H HIS 84 18.655 -17.171 -9.745 574 HA HIS 84 HA HIS 84 19.178 -17.532 -12.636 575 HB2 HIS 84 HB2 HIS 84 17.659 -15.657 -13.171 576 HB3 HIS 84 HB3 HIS 84 16.793 -16.972 -12.388 577 HD1 HIS 84 HD1 HIS 84 16.145 -16.513 -9.796 578 HD2 HIS 84 HD2 HIS 84 17.395 -13.200 -11.938 579 HE1 HIS 84 HE1 HIS 84 15.339 -14.546 -8.503 580 HE2 HIS 84 HE2 HIS 84 15.982 -12.558 -9.878 581 H HIS 85 H HIS 85 20.673 -16.188 -13.526 582 HA HIS 85 HA HIS 85 22.304 -14.527 -11.760 583 HB2 HIS 85 HB2 HIS 85 23.327 -16.146 -13.389 584 HB3 HIS 85 HB3 HIS 85 22.681 -15.191 -14.717 585 HD1 HIS 85 HD1 HIS 85 23.874 -12.922 -15.226 586 HD2 HIS 85 HD2 HIS 85 25.596 -15.078 -12.120 587 HE1 HIS 85 HE1 HIS 85 26.103 -11.851 -14.818 588 HE2 HIS 85 HE2 HIS 85 27.208 -13.329 -13.115 589 H HIS 86 H HIS 86 21.293 -12.592 -11.359 590 HA HIS 86 HA HIS 86 20.656 -10.808 -13.621 591 HB2 HIS 86 HB2 HIS 86 18.541 -11.926 -12.898 592 HB3 HIS 86 HB3 HIS 86 18.764 -11.288 -11.275 593 HD1 HIS 86 HD1 HIS 86 18.012 -10.144 -14.805 594 HD2 HIS 86 HD2 HIS 86 17.846 -8.676 -10.919 595 HE1 HIS 86 HE1 HIS 86 16.783 -7.968 -14.954 596 HE2 HIS 86 HE2 HIS 86 16.507 -7.229 -12.576 597 H HIS 87 H HIS 87 21.259 -8.741 -13.320 598 HA HIS 87 HA HIS 87 22.515 -7.923 -10.778 599 HB2 HIS 87 HB2 HIS 87 23.806 -7.639 -12.861 600 HB3 HIS 87 HB3 HIS 87 22.531 -6.645 -13.549 601 HD1 HIS 87 HD1 HIS 87 25.168 -6.563 -10.829 602 HD2 HIS 87 HD2 HIS 87 22.735 -3.941 -12.939 603 HE1 HIS 87 HE1 HIS 87 25.978 -4.265 -10.241 604 HE2 HIS 87 HE2 HIS 87 24.541 -2.706 -11.576 Start of MODEL 13 1 H1 MET 1 H1 MET 1 -4.732 24.595 -0.814 2 H2 MET 1 H2 MET 1 -6.117 23.700 -0.449 3 H3 MET 1 H3 MET 1 -5.550 23.768 -2.041 4 HA MET 1 HA MET 1 -3.561 22.596 -1.453 5 HB2 MET 1 HB2 MET 1 -4.800 22.436 1.332 6 HB3 MET 1 HB3 MET 1 -3.362 21.561 0.824 7 HG2 MET 1 HG2 MET 1 -2.201 23.729 0.465 8 HG3 MET 1 HG3 MET 1 -3.639 24.568 1.043 9 HE1 MET 1 HE1 MET 1 -0.687 22.113 2.042 10 HE2 MET 1 HE2 MET 1 -2.131 21.173 2.433 11 HE3 MET 1 HE3 MET 1 -1.095 21.774 3.724 12 H ASP 2 H ASP 2 -3.968 20.842 -2.680 13 HA ASP 2 HA ASP 2 -6.301 19.121 -2.231 14 HB2 ASP 2 HB2 ASP 2 -4.024 18.939 -4.268 15 HB3 ASP 2 HB3 ASP 2 -5.464 17.915 -4.249 16 H GLU 3 H GLU 3 -6.171 17.227 -1.023 17 HA GLU 3 HA GLU 3 -3.778 17.091 0.654 18 HB2 GLU 3 HB2 GLU 3 -6.141 17.213 1.594 19 HB3 GLU 3 HB3 GLU 3 -6.398 15.574 1.006 20 HG2 GLU 3 HG2 GLU 3 -5.843 15.509 3.364 21 HG3 GLU 3 HG3 GLU 3 -4.526 14.780 2.440 22 H ASP 4 H ASP 4 -2.510 15.235 0.967 23 HA ASP 4 HA ASP 4 -2.753 13.173 -1.164 24 HB2 ASP 4 HB2 ASP 4 -0.267 13.141 -1.217 25 HB3 ASP 4 HB3 ASP 4 -0.942 14.704 -1.667 26 H ALA 5 H ALA 5 -1.476 11.184 -0.727 27 HA ALA 5 HA ALA 5 -1.191 10.345 2.065 28 HB1 ALA 5 HB1 ALA 5 -2.630 8.358 1.750 29 HB2 ALA 5 HB2 ALA 5 -3.047 8.917 0.125 30 HB3 ALA 5 HB3 ALA 5 -3.545 9.855 1.535 31 H THR 6 H THR 6 0.456 8.870 2.328 32 HA THR 6 HA THR 6 2.041 8.160 -0.073 33 HB THR 6 HB THR 6 3.921 7.789 1.550 34 HG1 THR 6 HG1 THR 6 2.213 8.915 3.543 35 HG21 THR 6 HG21 THR 6 2.623 10.526 1.836 36 HG22 THR 6 HG22 THR 6 3.684 10.022 0.519 37 HG23 THR 6 HG23 THR 6 4.317 10.145 2.161 38 H ILE 7 H ILE 7 2.443 6.019 -0.604 39 HA ILE 7 HA ILE 7 1.388 3.869 1.183 40 HB ILE 7 HB ILE 7 1.408 3.775 -1.869 41 HG12 ILE 7 HG12 ILE 7 -1.115 4.287 -0.239 42 HG13 ILE 7 HG13 ILE 7 -0.136 5.615 -0.845 43 HG21 ILE 7 HG21 ILE 7 -0.170 1.886 -1.580 44 HG22 ILE 7 HG22 ILE 7 -0.036 2.039 0.173 45 HG23 ILE 7 HG23 ILE 7 1.374 1.570 -0.783 46 HD11 ILE 7 HD11 ILE 7 -0.486 4.827 -3.141 47 HD12 ILE 7 HD12 ILE 7 -2.000 5.193 -2.309 48 HD13 ILE 7 HD13 ILE 7 -1.499 3.517 -2.523 49 H THR 8 H THR 8 2.986 2.460 1.822 50 HA THR 8 HA THR 8 5.551 2.372 0.307 51 HB THR 8 HB THR 8 5.200 2.100 3.331 52 HG1 THR 8 HG1 THR 8 4.833 4.262 2.440 53 HG21 THR 8 HG21 THR 8 7.206 0.906 2.469 54 HG22 THR 8 HG22 THR 8 7.667 2.319 3.418 55 HG23 THR 8 HG23 THR 8 7.736 2.384 1.657 56 H TYR 9 H TYR 9 5.880 0.397 -0.596 57 HA TYR 9 HA TYR 9 4.828 -2.087 0.534 58 HB2 TYR 9 HB2 TYR 9 6.601 -1.509 -1.885 59 HB3 TYR 9 HB3 TYR 9 6.145 -3.137 -1.399 60 HD1 TYR 9 HD2 TYR 9 4.587 0.170 -2.351 61 HD2 TYR 9 HD1 TYR 9 4.186 -4.092 -2.312 62 HE1 TYR 9 HE2 TYR 9 2.531 0.349 -3.677 63 HE2 TYR 9 HE1 TYR 9 2.134 -3.910 -3.646 64 HH TYR 9 HH TYR 9 1.192 -1.002 -5.176 65 H VAL 10 H VAL 10 5.976 -3.512 1.804 66 HA VAL 10 HA VAL 10 8.912 -3.367 2.034 67 HB VAL 10 HB VAL 10 8.813 -3.543 4.558 68 HG11 VAL 10 HG11 VAL 10 8.472 -1.152 5.028 69 HG12 VAL 10 HG12 VAL 10 7.671 -0.948 3.467 70 HG13 VAL 10 HG13 VAL 10 9.378 -1.391 3.533 71 HG21 VAL 10 HG21 VAL 10 6.763 -2.827 5.766 72 HG22 VAL 10 HG22 VAL 10 6.491 -4.302 4.840 73 HG23 VAL 10 HG23 VAL 10 5.883 -2.761 4.233 74 H ASP 11 H ASP 11 9.815 -5.408 2.125 75 HA ASP 11 HA ASP 11 8.255 -7.801 2.432 76 HB2 ASP 11 HB2 ASP 11 11.264 -7.347 2.327 77 HB3 ASP 11 HB3 ASP 11 10.540 -8.944 2.494 78 H ASP 12 H ASP 12 7.327 -7.935 4.465 79 HA ASP 12 HA ASP 12 8.742 -7.493 6.930 80 HB2 ASP 12 HB2 ASP 12 6.827 -8.673 8.010 81 HB3 ASP 12 HB3 ASP 12 6.319 -7.380 6.934 82 H ASP 13 H ASP 13 8.658 -10.062 4.631 83 HA ASP 13 HA ASP 13 9.674 -12.251 6.101 84 HB2 ASP 13 HB2 ASP 13 8.643 -12.401 3.845 85 HB3 ASP 13 HB3 ASP 13 9.983 -11.484 3.153 86 H LYS 14 H LYS 14 11.202 -9.381 4.753 87 HA LYS 14 HA LYS 14 13.879 -10.294 5.684 88 HB2 LYS 14 HB2 LYS 14 13.511 -9.938 3.146 89 HB3 LYS 14 HB3 LYS 14 13.389 -8.226 3.506 90 HG2 LYS 14 HG2 LYS 14 15.618 -8.310 2.926 91 HG3 LYS 14 HG3 LYS 14 15.787 -8.651 4.645 92 HD2 LYS 14 HD2 LYS 14 15.676 -10.786 2.467 93 HD3 LYS 14 HD3 LYS 14 17.167 -10.134 3.137 94 HE2 LYS 14 HE2 LYS 14 15.063 -11.676 4.703 95 HE3 LYS 14 HE3 LYS 14 16.595 -12.329 4.122 96 HZ1 LYS 14 HZ1 LYS 14 17.737 -10.693 5.513 97 HZ2 LYS 14 HZ2 LYS 14 16.774 -11.739 6.421 98 HZ3 LYS 14 HZ3 LYS 14 16.251 -10.162 6.120 99 H GLY 15 H GLY 15 12.296 -9.305 7.581 100 HA2 GLY 15 HA2 GLY 15 12.124 -7.786 9.302 101 HA3 GLY 15 HA3 GLY 15 13.747 -7.315 8.852 102 H GLY 16 H GLY 16 11.103 -6.809 6.654 103 HA2 GLY 16 HA2 GLY 16 9.742 -4.945 6.199 104 HA3 GLY 16 HA3 GLY 16 10.556 -4.041 7.465 105 H ALA 17 H ALA 17 12.047 -5.761 4.711 106 HA ALA 17 HA ALA 17 13.657 -3.528 3.917 107 HB1 ALA 17 HB1 ALA 17 13.120 -6.150 2.477 108 HB2 ALA 17 HB2 ALA 17 14.405 -5.864 3.652 109 HB3 ALA 17 HB3 ALA 17 14.423 -5.017 2.104 110 H GLN 18 H GLN 18 12.915 -1.785 2.791 111 HA GLN 18 HA GLN 18 10.355 -1.569 1.650 112 HB2 GLN 18 HB2 GLN 18 11.599 0.384 2.471 113 HB3 GLN 18 HB3 GLN 18 12.812 0.178 1.210 114 HG2 GLN 18 HG2 GLN 18 11.086 0.669 -0.514 115 HG3 GLN 18 HG3 GLN 18 9.892 0.915 0.763 116 HE21 GLN 18 HE21 GLN 18 10.932 2.771 -1.291 117 HE22 GLN 18 HE22 GLN 18 11.509 4.143 -0.422 118 H VAL 19 H VAL 19 9.546 -2.142 -0.278 119 HA VAL 19 HA VAL 19 11.291 -3.356 -2.311 120 HB VAL 19 HB VAL 19 8.234 -3.409 -2.273 121 HG11 VAL 19 HG11 VAL 19 8.489 -5.436 -3.670 122 HG12 VAL 19 HG12 VAL 19 10.244 -5.254 -3.625 123 HG13 VAL 19 HG13 VAL 19 9.252 -4.033 -4.426 124 HG21 VAL 19 HG21 VAL 19 9.003 -4.332 -0.132 125 HG22 VAL 19 HG22 VAL 19 10.094 -5.434 -0.973 126 HG23 VAL 19 HG23 VAL 19 8.347 -5.613 -1.155 127 H GLY 20 H GLY 20 12.058 -1.836 -3.691 128 HA2 GLY 20 HA2 GLY 20 12.070 -0.339 -5.438 129 HA3 GLY 20 HA3 GLY 20 10.315 -0.396 -5.473 130 H ASP 21 H ASP 21 9.121 1.119 -4.190 131 HA ASP 21 HA ASP 21 10.474 3.342 -2.877 132 HB2 ASP 21 HB2 ASP 21 9.601 5.039 -4.560 133 HB3 ASP 21 HB3 ASP 21 10.898 4.006 -5.154 134 H ILE 22 H ILE 22 8.784 5.253 -2.678 135 HA ILE 22 HA ILE 22 6.228 4.175 -1.639 136 HB ILE 22 HB ILE 22 7.562 6.865 -1.044 137 HG12 ILE 22 HG12 ILE 22 7.517 4.344 0.689 138 HG13 ILE 22 HG13 ILE 22 8.924 4.974 -0.156 139 HG21 ILE 22 HG21 ILE 22 5.117 6.938 -0.741 140 HG22 ILE 22 HG22 ILE 22 5.934 7.046 0.817 141 HG23 ILE 22 HG23 ILE 22 5.188 5.526 0.318 142 HD11 ILE 22 HD11 ILE 22 9.020 5.500 2.203 143 HD12 ILE 22 HD12 ILE 22 7.463 6.322 2.117 144 HD13 ILE 22 HD13 ILE 22 8.858 6.983 1.260 145 H VAL 23 H VAL 23 4.298 4.895 -2.500 146 HA VAL 23 HA VAL 23 4.382 6.842 -4.740 147 HB VAL 23 HB VAL 23 2.232 5.682 -5.537 148 HG11 VAL 23 HG11 VAL 23 4.389 5.350 -6.678 149 HG12 VAL 23 HG12 VAL 23 3.445 3.861 -6.685 150 HG13 VAL 23 HG13 VAL 23 4.796 4.043 -5.560 151 HG21 VAL 23 HG21 VAL 23 1.882 3.330 -4.836 152 HG22 VAL 23 HG22 VAL 23 1.640 4.458 -3.503 153 HG23 VAL 23 HG23 VAL 23 3.132 3.519 -3.600 154 H THR 24 H THR 24 3.488 8.759 -4.306 155 HA THR 24 HA THR 24 1.561 9.041 -2.067 156 HB THR 24 HB THR 24 3.125 11.265 -3.429 157 HG1 THR 24 HG1 THR 24 4.271 10.912 -1.167 158 HG21 THR 24 HG21 THR 24 2.681 12.517 -1.333 159 HG22 THR 24 HG22 THR 24 1.762 11.148 -0.704 160 HG23 THR 24 HG23 THR 24 1.170 12.034 -2.112 161 H VAL 25 H VAL 25 -0.506 9.041 -2.781 162 HA VAL 25 HA VAL 25 -1.193 10.184 -5.412 163 HB VAL 25 HB VAL 25 -3.405 8.992 -5.116 164 HG11 VAL 25 HG11 VAL 25 -0.950 7.208 -4.844 165 HG12 VAL 25 HG12 VAL 25 -1.574 7.897 -6.347 166 HG13 VAL 25 HG13 VAL 25 -2.526 6.702 -5.466 167 HG21 VAL 25 HG21 VAL 25 -2.136 7.823 -2.596 168 HG22 VAL 25 HG22 VAL 25 -3.672 7.320 -3.308 169 HG23 VAL 25 HG23 VAL 25 -3.503 8.941 -2.639 170 H THR 26 H THR 26 -2.834 11.821 -5.648 171 HA THR 26 HA THR 26 -3.275 13.460 -3.194 172 HB THR 26 HB THR 26 -3.239 15.481 -4.635 173 HG1 THR 26 HG1 THR 26 -2.542 15.225 -6.832 174 HG21 THR 26 HG21 THR 26 -0.773 13.744 -5.040 175 HG22 THR 26 HG22 THR 26 -1.100 14.756 -3.632 176 HG23 THR 26 HG23 THR 26 -0.836 15.503 -5.208 177 H GLY 27 H GLY 27 -5.176 14.667 -2.980 178 HA2 GLY 27 HA2 GLY 27 -7.441 14.689 -4.682 179 HA3 GLY 27 HA3 GLY 27 -7.602 13.364 -3.527 180 H LYS 28 H LYS 28 -8.572 13.873 -1.591 181 HA LYS 28 HA LYS 28 -7.958 16.315 -0.178 182 HB2 LYS 28 HB2 LYS 28 -9.803 16.988 -1.831 183 HB3 LYS 28 HB3 LYS 28 -10.883 15.921 -0.948 184 HG2 LYS 28 HG2 LYS 28 -11.213 18.246 -0.263 185 HG3 LYS 28 HG3 LYS 28 -10.584 17.297 1.091 186 HD2 LYS 28 HD2 LYS 28 -8.322 18.210 0.711 187 HD3 LYS 28 HD3 LYS 28 -8.890 19.087 -0.714 188 HE2 LYS 28 HE2 LYS 28 -10.383 20.437 0.731 189 HE3 LYS 28 HE3 LYS 28 -9.784 19.572 2.150 190 HZ1 LYS 28 HZ1 LYS 28 -7.563 20.421 1.656 191 HZ2 LYS 28 HZ2 LYS 28 -8.663 21.675 1.901 192 HZ3 LYS 28 HZ3 LYS 28 -8.165 21.280 0.332 193 H THR 29 H THR 29 -8.672 16.300 2.051 194 HA THR 29 HA THR 29 -8.735 13.937 3.468 195 HB THR 29 HB THR 29 -9.694 15.220 5.397 196 HG1 THR 29 HG1 THR 29 -10.769 16.996 5.058 197 HG21 THR 29 HG21 THR 29 -7.922 16.925 5.578 198 HG22 THR 29 HG22 THR 29 -7.560 16.740 3.860 199 HG23 THR 29 HG23 THR 29 -7.280 15.396 4.970 200 H ASP 30 H ASP 30 -11.522 15.696 2.203 201 HA ASP 30 HA ASP 30 -13.510 13.937 3.425 202 HB2 ASP 30 HB2 ASP 30 -13.710 16.495 3.176 203 HB3 ASP 30 HB3 ASP 30 -13.962 16.225 1.455 204 H ASP 31 H ASP 31 -11.534 13.109 1.164 205 HA ASP 31 HA ASP 31 -13.465 11.790 -0.636 206 HB2 ASP 31 HB2 ASP 31 -12.583 13.784 -1.813 207 HB3 ASP 31 HB3 ASP 31 -10.928 13.286 -1.481 208 H SER 32 H SER 32 -12.790 9.747 -1.403 209 HA SER 32 HA SER 32 -10.248 8.605 -0.376 210 HB2 SER 32 HB2 SER 32 -11.427 6.514 0.234 211 HB3 SER 32 HB3 SER 32 -12.101 7.882 1.116 212 HG SER 32 HG SER 32 -13.230 6.797 -1.268 213 H THR 33 H THR 33 -9.228 7.204 -1.720 214 HA THR 33 HA THR 33 -10.405 6.625 -4.406 215 HB THR 33 HB THR 33 -8.428 8.117 -4.554 216 HG1 THR 33 HG1 THR 33 -7.268 6.798 -6.069 217 HG21 THR 33 HG21 THR 33 -6.162 7.317 -3.985 218 HG22 THR 33 HG22 THR 33 -6.842 5.827 -3.328 219 HG23 THR 33 HG23 THR 33 -7.180 7.371 -2.542 220 H THR 34 H THR 34 -9.747 4.572 -5.418 221 HA THR 34 HA THR 34 -9.058 2.403 -3.498 222 HB THR 34 HB THR 34 -10.116 0.819 -5.138 223 HG1 THR 34 HG1 THR 34 -10.160 1.773 -7.091 224 HG21 THR 34 HG21 THR 34 -11.489 1.644 -3.261 225 HG22 THR 34 HG22 THR 34 -12.480 1.433 -4.705 226 HG23 THR 34 HG23 THR 34 -11.974 3.051 -4.217 227 H TYR 35 H TYR 35 -6.931 2.053 -3.621 228 HA TYR 35 HA TYR 35 -5.421 2.297 -6.149 229 HB2 TYR 35 HB2 TYR 35 -4.496 3.573 -4.300 230 HB3 TYR 35 HB3 TYR 35 -4.599 2.197 -3.212 231 HD1 TYR 35 HD2 TYR 35 -2.779 3.496 -6.222 232 HD2 TYR 35 HD1 TYR 35 -2.741 0.681 -3.000 233 HE1 TYR 35 HE2 TYR 35 -0.455 2.914 -6.752 234 HE2 TYR 35 HE1 TYR 35 -0.417 0.103 -3.532 235 HH TYR 35 HH TYR 35 1.525 1.955 -5.580 236 H THR 36 H THR 36 -4.687 0.454 -7.203 237 HA THR 36 HA THR 36 -5.257 -2.174 -6.054 238 HB THR 36 HB THR 36 -4.064 -1.451 -8.775 239 HG1 THR 36 HG1 THR 36 -6.085 -0.966 -9.167 240 HG21 THR 36 HG21 THR 36 -4.649 -3.762 -9.441 241 HG22 THR 36 HG22 THR 36 -5.168 -4.115 -7.792 242 HG23 THR 36 HG23 THR 36 -3.469 -3.770 -8.127 243 H VAL 37 H VAL 37 -3.775 -3.606 -5.261 244 HA VAL 37 HA VAL 37 -1.093 -2.788 -4.614 245 HB VAL 37 HB VAL 37 -2.391 -5.541 -4.269 246 HG11 VAL 37 HG11 VAL 37 -0.650 -5.954 -2.556 247 HG12 VAL 37 HG12 VAL 37 0.093 -4.396 -2.922 248 HG13 VAL 37 HG13 VAL 37 0.068 -5.669 -4.143 249 HG21 VAL 37 HG21 VAL 37 -2.844 -4.872 -1.928 250 HG22 VAL 37 HG22 VAL 37 -3.677 -3.814 -3.069 251 HG23 VAL 37 HG23 VAL 37 -2.209 -3.255 -2.261 252 H THR 38 H THR 38 0.771 -3.275 -5.656 253 HA THR 38 HA THR 38 0.670 -4.795 -8.190 254 HB THR 38 HB THR 38 2.820 -3.550 -8.732 255 HG1 THR 38 HG1 THR 38 3.308 -2.980 -6.504 256 HG21 THR 38 HG21 THR 38 1.713 -1.406 -9.266 257 HG22 THR 38 HG22 THR 38 0.376 -1.822 -8.191 258 HG23 THR 38 HG23 THR 38 0.671 -2.779 -9.648 259 H ILE 39 H ILE 39 1.575 -6.735 -8.219 260 HA ILE 39 HA ILE 39 3.415 -7.625 -6.106 261 HB ILE 39 HB ILE 39 1.906 -9.203 -8.244 262 HG12 ILE 39 HG12 ILE 39 0.395 -8.255 -6.547 263 HG13 ILE 39 HG13 ILE 39 0.493 -9.997 -6.337 264 HG21 ILE 39 HG21 ILE 39 3.972 -10.396 -7.660 265 HG22 ILE 39 HG22 ILE 39 2.572 -11.251 -7.013 266 HG23 ILE 39 HG23 ILE 39 3.581 -10.277 -5.941 267 HD11 ILE 39 HD11 ILE 39 0.484 -8.851 -4.200 268 HD12 ILE 39 HD12 ILE 39 1.909 -7.921 -4.657 269 HD13 ILE 39 HD13 ILE 39 2.027 -9.670 -4.442 270 HA PRO 40 HA PRO 40 6.747 -7.270 -9.286 271 HB2 PRO 40 HB2 PRO 40 8.658 -7.409 -7.056 272 HB3 PRO 40 HB3 PRO 40 8.297 -6.042 -8.113 273 HG2 PRO 40 HG2 PRO 40 7.624 -6.072 -5.457 274 HG3 PRO 40 HG3 PRO 40 6.684 -5.180 -6.673 275 HD2 PRO 40 HD2 PRO 40 6.135 -7.921 -5.500 276 HD3 PRO 40 HD3 PRO 40 5.014 -6.554 -5.730 277 H ASP 41 H ASP 41 8.851 -8.579 -9.648 278 HA ASP 41 HA ASP 41 8.127 -11.325 -9.901 279 HB2 ASP 41 HB2 ASP 41 10.803 -9.980 -10.459 280 HB3 ASP 41 HB3 ASP 41 10.311 -11.566 -11.047 281 H GLY 42 H GLY 42 8.109 -12.654 -8.154 282 HA2 GLY 42 HA2 GLY 42 9.222 -14.220 -6.764 283 HA3 GLY 42 HA3 GLY 42 10.602 -13.143 -6.642 284 H TYR 43 H TYR 43 7.603 -11.552 -6.146 285 HA TYR 43 HA TYR 43 7.824 -11.695 -3.180 286 HB2 TYR 43 HB2 TYR 43 6.948 -9.291 -4.857 287 HB3 TYR 43 HB3 TYR 43 7.112 -9.330 -3.105 288 HD1 TYR 43 HD2 TYR 43 9.064 -9.464 -6.296 289 HD2 TYR 43 HD1 TYR 43 9.259 -8.865 -2.087 290 HE1 TYR 43 HE2 TYR 43 11.380 -8.689 -6.523 291 HE2 TYR 43 HE1 TYR 43 11.575 -8.090 -2.300 292 HH TYR 43 HH TYR 43 12.981 -7.274 -5.275 293 H GLU 44 H GLU 44 5.772 -11.562 -2.015 294 HA GLU 44 HA GLU 44 3.275 -11.990 -3.574 295 HB2 GLU 44 HB2 GLU 44 4.217 -13.744 -1.263 296 HB3 GLU 44 HB3 GLU 44 2.633 -13.848 -2.025 297 HG2 GLU 44 HG2 GLU 44 3.666 -14.573 -4.130 298 HG3 GLU 44 HG3 GLU 44 5.272 -14.392 -3.424 299 H TYR 45 H TYR 45 1.405 -11.155 -2.625 300 HA TYR 45 HA TYR 45 1.667 -9.106 -0.664 301 HB2 TYR 45 HB2 TYR 45 -0.005 -8.916 -2.428 302 HB3 TYR 45 HB3 TYR 45 -0.814 -10.379 -1.888 303 HD1 TYR 45 HD2 TYR 45 0.107 -6.938 -0.639 304 HD2 TYR 45 HD1 TYR 45 -2.704 -10.162 -0.464 305 HE1 TYR 45 HE2 TYR 45 -1.356 -5.596 0.803 306 HE2 TYR 45 HE1 TYR 45 -4.155 -8.817 0.981 307 HH TYR 45 HH TYR 45 -3.976 -6.930 2.513 308 H VAL 46 H VAL 46 1.688 -9.264 1.502 309 HA VAL 46 HA VAL 46 0.636 -11.637 2.882 310 HB VAL 46 HB VAL 46 2.372 -9.378 3.983 311 HG11 VAL 46 HG11 VAL 46 1.061 -10.439 5.775 312 HG12 VAL 46 HG12 VAL 46 2.767 -10.857 5.930 313 HG13 VAL 46 HG13 VAL 46 1.629 -12.036 5.274 314 HG21 VAL 46 HG21 VAL 46 4.239 -10.988 3.898 315 HG22 VAL 46 HG22 VAL 46 3.576 -10.686 2.290 316 HG23 VAL 46 HG23 VAL 46 3.182 -12.183 3.138 317 H GLY 47 H GLY 47 0.534 -8.048 3.281 318 HA2 GLY 47 HA2 GLY 47 -2.225 -7.971 4.054 319 HA3 GLY 47 HA3 GLY 47 -1.187 -7.919 5.475 320 H THR 48 H THR 48 -2.560 -5.804 5.501 321 HA THR 48 HA THR 48 -0.914 -3.576 4.517 322 HB THR 48 HB THR 48 -3.844 -3.962 3.762 323 HG1 THR 48 HG1 THR 48 -2.915 -4.457 1.945 324 HG21 THR 48 HG21 THR 48 -3.846 -1.663 2.833 325 HG22 THR 48 HG22 THR 48 -2.268 -1.368 3.564 326 HG23 THR 48 HG23 THR 48 -3.678 -1.650 4.588 327 H ASP 49 H ASP 49 -0.869 -1.880 5.896 328 HA ASP 49 HA ASP 49 -2.689 -1.760 8.239 329 HB2 ASP 49 HB2 ASP 49 0.280 -1.028 8.146 330 HB3 ASP 49 HB3 ASP 49 -0.776 -0.850 9.546 331 H GLY 50 H GLY 50 -3.209 0.388 8.991 332 HA2 GLY 50 HA2 GLY 50 -3.167 2.749 8.951 333 HA3 GLY 50 HA3 GLY 50 -2.342 2.726 7.402 334 H GLY 51 H GLY 51 -3.727 1.821 5.542 335 HA2 GLY 51 HA2 GLY 51 -6.272 3.243 5.451 336 HA3 GLY 51 HA3 GLY 51 -5.468 2.418 4.127 337 H VAL 52 H VAL 52 -7.848 1.863 3.782 338 HA VAL 52 HA VAL 52 -8.781 -0.452 5.392 339 HB VAL 52 HB VAL 52 -10.314 1.246 3.356 340 HG11 VAL 52 HG11 VAL 52 -12.352 0.074 4.145 341 HG12 VAL 52 HG12 VAL 52 -11.361 -0.977 5.158 342 HG13 VAL 52 HG13 VAL 52 -11.207 -1.045 3.401 343 HG21 VAL 52 HG21 VAL 52 -9.830 2.512 5.406 344 HG22 VAL 52 HG22 VAL 52 -10.526 1.223 6.392 345 HG23 VAL 52 HG23 VAL 52 -11.554 2.149 5.294 346 H VAL 53 H VAL 53 -8.245 -2.435 4.547 347 HA VAL 53 HA VAL 53 -7.673 -2.760 1.695 348 HB VAL 53 HB VAL 53 -6.154 -3.823 3.320 349 HG11 VAL 53 HG11 VAL 53 -6.802 -5.786 4.657 350 HG12 VAL 53 HG12 VAL 53 -8.480 -5.596 4.138 351 HG13 VAL 53 HG13 VAL 53 -7.717 -4.351 5.129 352 HG21 VAL 53 HG21 VAL 53 -5.985 -6.048 2.274 353 HG22 VAL 53 HG22 VAL 53 -6.345 -4.810 1.069 354 HG23 VAL 53 HG23 VAL 53 -7.624 -5.888 1.633 355 H SER 54 H SER 54 -8.887 -3.882 0.232 356 HA SER 54 HA SER 54 -11.678 -4.357 0.703 357 HB2 SER 54 HB2 SER 54 -10.880 -3.575 -1.495 358 HB3 SER 54 HB3 SER 54 -9.950 -5.053 -1.718 359 HG SER 54 HG SER 54 -12.151 -4.855 -2.725 360 H SER 55 H SER 55 -12.706 -6.461 -0.101 361 HA SER 55 HA SER 55 -12.162 -8.478 1.799 362 HB2 SER 55 HB2 SER 55 -13.996 -9.729 0.646 363 HB3 SER 55 HB3 SER 55 -14.429 -8.047 0.956 364 HG SER 55 HG SER 55 -14.931 -8.166 -1.105 365 H ASP 56 H ASP 56 -11.179 -8.200 -1.578 366 HA ASP 56 HA ASP 56 -10.214 -10.960 -1.762 367 HB2 ASP 56 HB2 ASP 56 -9.976 -8.642 -3.725 368 HB3 ASP 56 HB3 ASP 56 -9.555 -10.318 -4.066 369 H GLY 57 H GLY 57 -8.915 -7.950 -0.695 370 HA2 GLY 57 HA2 GLY 57 -6.801 -7.287 -0.047 371 HA3 GLY 57 HA3 GLY 57 -6.213 -8.896 -0.415 372 H LYS 58 H LYS 58 -7.687 -7.887 -3.185 373 HA LYS 58 HA LYS 58 -5.269 -7.483 -4.660 374 HB2 LYS 58 HB2 LYS 58 -8.195 -7.173 -5.437 375 HB3 LYS 58 HB3 LYS 58 -6.859 -7.096 -6.581 376 HG2 LYS 58 HG2 LYS 58 -6.305 -9.418 -6.205 377 HG3 LYS 58 HG3 LYS 58 -7.454 -9.530 -4.867 378 HD2 LYS 58 HD2 LYS 58 -8.351 -10.571 -6.931 379 HD3 LYS 58 HD3 LYS 58 -9.338 -9.207 -6.408 380 HE2 LYS 58 HE2 LYS 58 -8.165 -7.783 -8.118 381 HE3 LYS 58 HE3 LYS 58 -7.323 -9.228 -8.684 382 HZ1 LYS 58 HZ1 LYS 58 -10.277 -8.894 -8.647 383 HZ2 LYS 58 HZ2 LYS 58 -9.420 -10.200 -9.291 384 HZ3 LYS 58 HZ3 LYS 58 -9.296 -8.676 -10.008 385 H THR 59 H THR 59 -7.798 -5.360 -3.444 386 HA THR 59 HA THR 59 -6.282 -2.950 -4.277 387 HB THR 59 HB THR 59 -8.521 -1.723 -4.327 388 HG1 THR 59 HG1 THR 59 -10.237 -2.793 -3.743 389 HG21 THR 59 HG21 THR 59 -9.214 -2.526 -6.555 390 HG22 THR 59 HG22 THR 59 -8.233 -3.979 -6.348 391 HG23 THR 59 HG23 THR 59 -7.458 -2.394 -6.447 392 H VAL 60 H VAL 60 -6.159 -1.312 -2.816 393 HA VAL 60 HA VAL 60 -7.310 -1.589 -0.118 394 HB VAL 60 HB VAL 60 -5.243 -0.461 0.791 395 HG11 VAL 60 HG11 VAL 60 -3.778 -2.449 0.733 396 HG12 VAL 60 HG12 VAL 60 -4.700 -3.096 -0.629 397 HG13 VAL 60 HG13 VAL 60 -5.471 -2.905 0.947 398 HG21 VAL 60 HG21 VAL 60 -4.061 -0.931 -1.980 399 HG22 VAL 60 HG22 VAL 60 -3.155 -0.418 -0.551 400 HG23 VAL 60 HG23 VAL 60 -4.390 0.637 -1.237 401 H THR 61 H THR 61 -8.773 -0.010 0.195 402 HA THR 61 HA THR 61 -8.970 2.397 -1.334 403 HB THR 61 HB THR 61 -10.377 1.622 1.264 404 HG1 THR 61 HG1 THR 61 -12.137 1.346 -0.450 405 HG21 THR 61 HG21 THR 61 -11.068 3.833 -0.723 406 HG22 THR 61 HG22 THR 61 -10.503 4.070 0.933 407 HG23 THR 61 HG23 THR 61 -12.079 3.334 0.636 408 H ILE 62 H ILE 62 -7.603 4.046 -1.110 409 HA ILE 62 HA ILE 62 -6.284 4.664 1.459 410 HB ILE 62 HB ILE 62 -5.728 5.946 -1.263 411 HG12 ILE 62 HG12 ILE 62 -5.401 3.481 -1.465 412 HG13 ILE 62 HG13 ILE 62 -3.888 4.361 -1.619 413 HG21 ILE 62 HG21 ILE 62 -4.850 7.198 0.663 414 HG22 ILE 62 HG22 ILE 62 -3.523 6.500 -0.265 415 HG23 ILE 62 HG23 ILE 62 -4.021 5.754 1.254 416 HD11 ILE 62 HD11 ILE 62 -3.323 3.764 0.687 417 HD12 ILE 62 HD12 ILE 62 -3.588 2.350 -0.334 418 HD13 ILE 62 HD13 ILE 62 -4.832 2.852 0.812 419 H THR 63 H THR 63 -7.333 6.200 2.703 420 HA THR 63 HA THR 63 -8.824 8.387 1.354 421 HB THR 63 HB THR 63 -8.929 7.737 4.342 422 HG1 THR 63 HG1 THR 63 -11.172 6.969 3.469 423 HG21 THR 63 HG21 THR 63 -11.028 9.075 4.256 424 HG22 THR 63 HG22 THR 63 -10.761 9.384 2.535 425 HG23 THR 63 HG23 THR 63 -9.640 10.040 3.736 426 H PHE 64 H PHE 64 -8.019 10.415 1.427 427 HA PHE 64 HA PHE 64 -5.245 10.767 2.102 428 HB2 PHE 64 HB2 PHE 64 -7.194 12.925 1.190 429 HB3 PHE 64 HB3 PHE 64 -5.444 12.907 0.988 430 HD1 PHE 64 HD2 PHE 64 -4.407 11.277 -0.665 431 HD2 PHE 64 HD1 PHE 64 -8.639 11.840 -0.410 432 HE1 PHE 64 HE2 PHE 64 -4.700 10.231 -2.866 433 HE2 PHE 64 HE1 PHE 64 -8.916 10.788 -2.603 434 HZ PHE 64 HZ PHE 64 -6.949 9.985 -3.838 435 H ALA 65 H ALA 65 -4.321 11.961 3.788 436 HA ALA 65 HA ALA 65 -6.076 13.383 5.700 437 HB1 ALA 65 HB1 ALA 65 -5.098 12.194 7.625 438 HB2 ALA 65 HB2 ALA 65 -4.141 11.189 6.530 439 HB3 ALA 65 HB3 ALA 65 -5.900 11.062 6.528 440 H ALA 66 H ALA 66 -5.191 15.213 6.514 441 HA ALA 66 HA ALA 66 -2.534 16.116 5.939 442 HB1 ALA 66 HB1 ALA 66 -4.539 17.178 7.969 443 HB2 ALA 66 HB2 ALA 66 -4.402 17.688 6.286 444 HB3 ALA 66 HB3 ALA 66 -3.087 18.020 7.415 445 H ASP 67 H ASP 67 -3.950 14.213 8.454 446 HA ASP 67 HA ASP 67 -1.759 14.422 10.358 447 HB2 ASP 67 HB2 ASP 67 -4.095 12.450 10.341 448 HB3 ASP 67 HB3 ASP 67 -3.059 12.855 11.707 449 H ASP 68 H ASP 68 -0.905 12.202 11.179 450 HA ASP 68 HA ASP 68 0.470 10.881 9.002 451 HB2 ASP 68 HB2 ASP 68 0.573 10.474 12.022 452 HB3 ASP 68 HB3 ASP 68 1.648 9.676 10.876 453 H SER 69 H SER 69 -2.480 10.355 9.246 454 HA SER 69 HA SER 69 -2.624 7.442 9.636 455 HB2 SER 69 HB2 SER 69 -4.454 8.873 10.547 456 HB3 SER 69 HB3 SER 69 -4.814 9.446 8.920 457 HG SER 69 HG SER 69 -5.219 7.149 8.417 458 H ASP 70 H ASP 70 -1.804 9.549 7.186 459 HA ASP 70 HA ASP 70 -3.246 8.478 4.927 460 HB2 ASP 70 HB2 ASP 70 -1.944 10.061 3.633 461 HB3 ASP 70 HB3 ASP 70 -2.438 10.852 5.117 462 H ASN 71 H ASN 71 -0.158 7.866 6.464 463 HA ASN 71 HA ASN 71 1.108 6.559 4.254 464 HB2 ASN 71 HB2 ASN 71 2.816 5.868 6.093 465 HB3 ASN 71 HB3 ASN 71 2.662 7.566 5.669 466 HD21 ASN 71 HD21 ASN 71 1.665 8.983 7.143 467 HD22 ASN 71 HD22 ASN 71 1.504 8.569 8.814 468 H VAL 72 H VAL 72 0.057 4.854 3.511 469 HA VAL 72 HA VAL 72 -0.959 2.702 5.229 470 HB VAL 72 HB VAL 72 -1.204 3.183 2.218 471 HG11 VAL 72 HG11 VAL 72 -1.381 0.779 2.712 472 HG12 VAL 72 HG12 VAL 72 -2.949 1.428 2.227 473 HG13 VAL 72 HG13 VAL 72 -2.620 1.103 3.931 474 HG21 VAL 72 HG21 VAL 72 -2.394 4.892 3.517 475 HG22 VAL 72 HG22 VAL 72 -3.232 3.645 4.442 476 HG23 VAL 72 HG23 VAL 72 -3.551 3.828 2.715 477 H VAL 73 H VAL 73 0.313 0.953 5.619 478 HA VAL 73 HA VAL 73 2.766 0.547 4.030 479 HB VAL 73 HB VAL 73 2.057 -0.605 6.774 480 HG11 VAL 73 HG11 VAL 73 4.473 -1.133 6.943 481 HG12 VAL 73 HG12 VAL 73 4.723 -0.532 5.301 482 HG13 VAL 73 HG13 VAL 73 3.725 -1.962 5.575 483 HG21 VAL 73 HG21 VAL 73 3.581 1.094 7.730 484 HG22 VAL 73 HG22 VAL 73 2.220 1.853 6.899 485 HG23 VAL 73 HG23 VAL 73 3.808 1.802 6.126 486 H ILE 74 H ILE 74 2.401 -0.857 2.378 487 HA ILE 74 HA ILE 74 0.725 -3.246 2.719 488 HB ILE 74 HB ILE 74 2.159 -2.169 0.238 489 HG12 ILE 74 HG12 ILE 74 -0.800 -2.106 1.024 490 HG13 ILE 74 HG13 ILE 74 0.280 -0.719 0.944 491 HG21 ILE 74 HG21 ILE 74 0.204 -4.498 0.448 492 HG22 ILE 74 HG22 ILE 74 1.933 -4.626 0.112 493 HG23 ILE 74 HG23 ILE 74 0.865 -3.845 -1.053 494 HD11 ILE 74 HD11 ILE 74 -0.647 -2.392 -1.391 495 HD12 ILE 74 HD12 ILE 74 0.462 -1.021 -1.485 496 HD13 ILE 74 HD13 ILE 74 -1.202 -0.775 -0.958 497 H HIS 75 H HIS 75 1.569 -5.309 2.754 498 HA HIS 75 HA HIS 75 4.470 -5.567 3.302 499 HB2 HIS 75 HB2 HIS 75 2.061 -7.031 4.455 500 HB3 HIS 75 HB3 HIS 75 3.721 -7.568 4.712 501 HD1 HIS 75 HD1 HIS 75 4.851 -6.619 6.705 502 HD2 HIS 75 HD2 HIS 75 1.657 -4.259 5.507 503 HE1 HIS 75 HE1 HIS 75 4.687 -4.795 8.414 504 HE2 HIS 75 HE2 HIS 75 2.598 -3.555 7.801 505 H LEU 76 H LEU 76 5.620 -7.267 2.451 506 HA LEU 76 HA LEU 76 4.355 -9.111 0.530 507 HB2 LEU 76 HB2 LEU 76 6.843 -7.440 -0.033 508 HB3 LEU 76 HB3 LEU 76 6.259 -8.742 -1.061 509 HG LEU 76 HG LEU 76 4.809 -6.116 -0.521 510 HD11 LEU 76 HD11 LEU 76 5.251 -5.591 -2.872 511 HD12 LEU 76 HD12 LEU 76 6.177 -7.084 -3.047 512 HD13 LEU 76 HD13 LEU 76 6.750 -5.809 -1.970 513 HD21 LEU 76 HD21 LEU 76 3.189 -7.949 -0.845 514 HD22 LEU 76 HD22 LEU 76 3.977 -8.389 -2.364 515 HD23 LEU 76 HD23 LEU 76 3.169 -6.827 -2.210 516 H LYS 77 H LYS 77 5.718 -11.001 0.017 517 HA LYS 77 HA LYS 77 7.968 -11.531 1.849 518 HB2 LYS 77 HB2 LYS 77 7.144 -13.763 2.427 519 HB3 LYS 77 HB3 LYS 77 5.976 -12.539 2.907 520 HG2 LYS 77 HG2 LYS 77 4.650 -13.091 0.827 521 HG3 LYS 77 HG3 LYS 77 5.768 -14.431 0.538 522 HD2 LYS 77 HD2 LYS 77 5.135 -15.412 2.744 523 HD3 LYS 77 HD3 LYS 77 4.007 -14.077 3.005 524 HE2 LYS 77 HE2 LYS 77 2.718 -15.953 2.260 525 HE3 LYS 77 HE3 LYS 77 2.793 -14.830 0.902 526 HZ1 LYS 77 HZ1 LYS 77 4.366 -17.320 1.261 527 HZ2 LYS 77 HZ2 LYS 77 4.647 -16.202 0.023 528 HZ3 LYS 77 HZ3 LYS 77 3.175 -17.022 0.100 529 H HIS 78 H HIS 78 9.509 -13.009 1.093 530 HA HIS 78 HA HIS 78 9.705 -13.224 -1.790 531 HB2 HIS 78 HB2 HIS 78 11.544 -14.280 0.405 532 HB3 HIS 78 HB3 HIS 78 11.940 -14.215 -1.315 533 HD1 HIS 78 HD1 HIS 78 13.243 -12.593 1.264 534 HD2 HIS 78 HD2 HIS 78 10.911 -11.078 -1.802 535 HE1 HIS 78 HE1 HIS 78 13.802 -10.151 1.132 536 HE2 HIS 78 HE2 HIS 78 12.244 -9.235 -0.610 537 H GLY 79 H GLY 79 8.970 -14.908 -2.983 538 HA2 GLY 79 HA2 GLY 79 7.682 -17.166 -1.654 539 HA3 GLY 79 HA3 GLY 79 7.597 -16.755 -3.360 540 H LEU 80 H LEU 80 8.600 -18.130 -4.689 541 HA LEU 80 HA LEU 80 10.650 -19.973 -3.794 542 HB2 LEU 80 HB2 LEU 80 9.562 -19.372 -6.581 543 HB3 LEU 80 HB3 LEU 80 10.758 -20.605 -6.232 544 HG LEU 80 HG LEU 80 8.982 -21.708 -4.712 545 HD11 LEU 80 HD11 LEU 80 6.625 -21.244 -5.169 546 HD12 LEU 80 HD12 LEU 80 7.076 -19.896 -6.218 547 HD13 LEU 80 HD13 LEU 80 7.432 -19.829 -4.491 548 HD21 LEU 80 HD21 LEU 80 8.436 -21.622 -7.694 549 HD22 LEU 80 HD22 LEU 80 7.899 -22.877 -6.571 550 HD23 LEU 80 HD23 LEU 80 9.620 -22.649 -6.877 551 H GLU 81 H GLU 81 12.781 -19.291 -3.559 552 HA GLU 81 HA GLU 81 13.474 -16.622 -4.383 553 HB2 GLU 81 HB2 GLU 81 14.664 -18.613 -2.540 554 HB3 GLU 81 HB3 GLU 81 15.874 -17.668 -3.397 555 HG2 GLU 81 HG2 GLU 81 13.634 -16.580 -1.659 556 HG3 GLU 81 HG3 GLU 81 15.348 -16.627 -1.254 557 H HIS 82 H HIS 82 15.794 -16.267 -5.271 558 HA HIS 82 HA HIS 82 15.213 -16.930 -8.040 559 HB2 HIS 82 HB2 HIS 82 17.110 -14.887 -6.826 560 HB3 HIS 82 HB3 HIS 82 16.665 -14.976 -8.533 561 HD1 HIS 82 HD1 HIS 82 15.169 -14.176 -5.132 562 HD2 HIS 82 HD2 HIS 82 14.189 -13.813 -9.163 563 HE1 HIS 82 HE1 HIS 82 13.042 -12.845 -5.194 564 HE2 HIS 82 HE2 HIS 82 12.546 -12.531 -7.636 565 H HIS 83 H HIS 83 17.499 -18.030 -5.774 566 HA HIS 83 HA HIS 83 19.369 -19.244 -5.797 567 HB2 HIS 83 HB2 HIS 83 19.198 -21.389 -7.114 568 HB3 HIS 83 HB3 HIS 83 17.809 -20.998 -6.112 569 HD1 HIS 83 HD1 HIS 83 18.853 -21.399 -9.696 570 HD2 HIS 83 HD2 HIS 83 15.399 -20.619 -7.529 571 HE1 HIS 83 HE1 HIS 83 16.963 -21.613 -11.328 572 HE2 HIS 83 HE2 HIS 83 14.884 -21.340 -9.949 573 H HIS 84 H HIS 84 18.982 -19.315 -9.394 574 HA HIS 84 HA HIS 84 21.812 -19.254 -9.850 575 HB2 HIS 84 HB2 HIS 84 20.212 -20.364 -11.389 576 HB3 HIS 84 HB3 HIS 84 19.494 -18.807 -11.784 577 HD1 HIS 84 HD1 HIS 84 20.187 -18.257 -14.102 578 HD2 HIS 84 HD2 HIS 84 23.306 -19.982 -11.975 579 HE1 HIS 84 HE1 HIS 84 22.143 -18.256 -15.664 580 HE2 HIS 84 HE2 HIS 84 23.965 -19.452 -14.415 581 H HIS 85 H HIS 85 19.219 -16.802 -10.018 582 HA HIS 85 HA HIS 85 21.095 -14.590 -10.255 583 HB2 HIS 85 HB2 HIS 85 18.677 -14.455 -11.030 584 HB3 HIS 85 HB3 HIS 85 18.176 -14.524 -9.345 585 HD1 HIS 85 HD1 HIS 85 19.462 -12.219 -11.935 586 HD2 HIS 85 HD2 HIS 85 18.815 -12.143 -7.834 587 HE1 HIS 85 HE1 HIS 85 19.624 -9.811 -11.271 588 HE2 HIS 85 HE2 HIS 85 19.006 -9.777 -8.841 589 H HIS 86 H HIS 86 22.184 -13.687 -8.525 590 HA HIS 86 HA HIS 86 22.278 -15.327 -6.126 591 HB2 HIS 86 HB2 HIS 86 24.026 -13.038 -7.097 592 HB3 HIS 86 HB3 HIS 86 24.368 -14.012 -5.669 593 HD1 HIS 86 HD1 HIS 86 25.428 -16.302 -6.037 594 HD2 HIS 86 HD2 HIS 86 24.374 -14.430 -9.595 595 HE1 HIS 86 HE1 HIS 86 26.462 -17.677 -7.855 596 HE2 HIS 86 HE2 HIS 86 25.647 -16.640 -9.991 597 H HIS 87 H HIS 87 20.062 -13.165 -6.498 598 HA HIS 87 HA HIS 87 19.937 -12.419 -3.719 599 HB2 HIS 87 HB2 HIS 87 21.380 -10.589 -4.755 600 HB3 HIS 87 HB3 HIS 87 19.990 -10.131 -5.738 601 HD1 HIS 87 HD1 HIS 87 18.662 -8.270 -4.741 602 HD2 HIS 87 HD2 HIS 87 20.629 -10.463 -1.812 603 HE1 HIS 87 HE1 HIS 87 18.156 -7.115 -2.575 604 HE2 HIS 87 HE2 HIS 87 19.239 -8.537 -0.810 Start of MODEL 14 1 H1 MET 1 H1 MET 1 -7.898 21.294 3.514 2 H2 MET 1 H2 MET 1 -6.950 22.233 4.550 3 H3 MET 1 H3 MET 1 -6.793 20.548 4.559 4 HA MET 1 HA MET 1 -6.141 22.319 2.274 5 HB2 MET 1 HB2 MET 1 -4.608 22.552 4.259 6 HB3 MET 1 HB3 MET 1 -4.252 20.836 4.166 7 HG2 MET 1 HG2 MET 1 -3.242 21.200 1.917 8 HG3 MET 1 HG3 MET 1 -3.560 22.929 2.078 9 HE1 MET 1 HE1 MET 1 -2.324 24.513 3.854 10 HE2 MET 1 HE2 MET 1 -1.175 23.920 5.051 11 HE3 MET 1 HE3 MET 1 -2.879 23.490 5.181 12 H ASP 2 H ASP 2 -4.877 21.088 0.552 13 HA ASP 2 HA ASP 2 -5.780 18.327 0.229 14 HB2 ASP 2 HB2 ASP 2 -4.539 18.476 -1.986 15 HB3 ASP 2 HB3 ASP 2 -5.877 19.601 -1.796 16 H GLU 3 H GLU 3 -4.669 16.698 1.102 17 HA GLU 3 HA GLU 3 -1.774 17.002 1.709 18 HB2 GLU 3 HB2 GLU 3 -2.115 15.389 3.603 19 HB3 GLU 3 HB3 GLU 3 -2.923 16.930 3.812 20 HG2 GLU 3 HG2 GLU 3 -4.371 14.454 2.836 21 HG3 GLU 3 HG3 GLU 3 -4.201 14.838 4.544 22 H ASP 4 H ASP 4 -0.729 14.752 2.146 23 HA ASP 4 HA ASP 4 -1.014 13.276 -0.418 24 HB2 ASP 4 HB2 ASP 4 1.536 13.652 1.216 25 HB3 ASP 4 HB3 ASP 4 1.397 13.015 -0.422 26 H ALA 5 H ALA 5 -1.343 11.135 -0.344 27 HA ALA 5 HA ALA 5 -0.727 9.564 2.106 28 HB1 ALA 5 HB1 ALA 5 -2.693 8.959 -0.134 29 HB2 ALA 5 HB2 ALA 5 -3.106 9.539 1.478 30 HB3 ALA 5 HB3 ALA 5 -2.391 7.938 1.280 31 H THR 6 H THR 6 1.099 8.312 1.890 32 HA THR 6 HA THR 6 2.047 7.662 -0.828 33 HB THR 6 HB THR 6 3.766 8.735 0.494 34 HG1 THR 6 HG1 THR 6 4.639 6.061 0.476 35 HG21 THR 6 HG21 THR 6 3.103 8.094 2.800 36 HG22 THR 6 HG22 THR 6 4.795 7.701 2.468 37 HG23 THR 6 HG23 THR 6 3.576 6.425 2.467 38 H ILE 7 H ILE 7 2.323 5.674 -1.553 39 HA ILE 7 HA ILE 7 1.461 3.363 0.058 40 HB ILE 7 HB ILE 7 1.659 3.657 -2.981 41 HG12 ILE 7 HG12 ILE 7 -0.895 3.128 -2.822 42 HG13 ILE 7 HG13 ILE 7 -0.761 3.540 -1.120 43 HG21 ILE 7 HG21 ILE 7 0.725 1.373 -3.104 44 HG22 ILE 7 HG22 ILE 7 0.809 1.241 -1.350 45 HG23 ILE 7 HG23 ILE 7 2.292 1.392 -2.296 46 HD11 ILE 7 HD11 ILE 7 -0.068 5.811 -1.745 47 HD12 ILE 7 HD12 ILE 7 -1.639 5.384 -2.417 48 HD13 ILE 7 HD13 ILE 7 -0.210 5.377 -3.450 49 H THR 8 H THR 8 3.137 2.297 0.899 50 HA THR 8 HA THR 8 5.727 2.129 -0.539 51 HB THR 8 HB THR 8 5.331 2.506 2.470 52 HG1 THR 8 HG1 THR 8 6.425 4.522 2.027 53 HG21 THR 8 HG21 THR 8 7.313 1.100 2.005 54 HG22 THR 8 HG22 THR 8 7.799 2.695 2.581 55 HG23 THR 8 HG23 THR 8 7.910 2.309 0.863 56 H TYR 9 H TYR 9 5.729 0.060 -1.240 57 HA TYR 9 HA TYR 9 4.821 -2.214 0.289 58 HB2 TYR 9 HB2 TYR 9 6.663 -2.132 -2.152 59 HB3 TYR 9 HB3 TYR 9 5.933 -3.583 -1.478 60 HD1 TYR 9 HD2 TYR 9 4.944 -0.235 -2.920 61 HD2 TYR 9 HD1 TYR 9 3.913 -4.362 -2.439 62 HE1 TYR 9 HE2 TYR 9 3.033 0.069 -4.422 63 HE2 TYR 9 HE1 TYR 9 2.000 -4.052 -3.949 64 HH TYR 9 HH TYR 9 1.560 -1.155 -5.804 65 H VAL 10 H VAL 10 6.055 -3.592 1.557 66 HA VAL 10 HA VAL 10 8.963 -3.309 1.794 67 HB VAL 10 HB VAL 10 8.873 -3.322 4.311 68 HG11 VAL 10 HG11 VAL 10 8.395 -0.931 4.669 69 HG12 VAL 10 HG12 VAL 10 7.587 -0.851 3.100 70 HG13 VAL 10 HG13 VAL 10 9.315 -1.192 3.184 71 HG21 VAL 10 HG21 VAL 10 6.806 -2.665 5.509 72 HG22 VAL 10 HG22 VAL 10 6.599 -4.196 4.659 73 HG23 VAL 10 HG23 VAL 10 5.905 -2.717 3.990 74 H ASP 11 H ASP 11 9.997 -5.285 2.406 75 HA ASP 11 HA ASP 11 8.219 -7.627 2.727 76 HB2 ASP 11 HB2 ASP 11 10.131 -9.018 2.085 77 HB3 ASP 11 HB3 ASP 11 9.804 -7.793 0.866 78 H ASP 12 H ASP 12 8.073 -8.676 4.587 79 HA ASP 12 HA ASP 12 9.107 -7.813 7.034 80 HB2 ASP 12 HB2 ASP 12 7.009 -9.129 6.722 81 HB3 ASP 12 HB3 ASP 12 7.959 -10.543 6.295 82 H ASP 13 H ASP 13 10.437 -10.061 4.685 83 HA ASP 13 HA ASP 13 12.081 -11.741 6.143 84 HB2 ASP 13 HB2 ASP 13 11.673 -12.062 3.772 85 HB3 ASP 13 HB3 ASP 13 12.420 -10.522 3.376 86 H LYS 14 H LYS 14 12.692 -8.363 5.213 87 HA LYS 14 HA LYS 14 15.456 -8.529 6.292 88 HB2 LYS 14 HB2 LYS 14 14.928 -8.012 3.746 89 HB3 LYS 14 HB3 LYS 14 14.520 -6.411 4.335 90 HG2 LYS 14 HG2 LYS 14 16.801 -6.437 3.496 91 HG3 LYS 14 HG3 LYS 14 16.823 -6.168 5.241 92 HD2 LYS 14 HD2 LYS 14 18.595 -7.768 4.463 93 HD3 LYS 14 HD3 LYS 14 17.496 -8.477 5.646 94 HE2 LYS 14 HE2 LYS 14 18.038 -10.036 3.777 95 HE3 LYS 14 HE3 LYS 14 16.313 -9.688 3.877 96 HZ1 LYS 14 HZ1 LYS 14 16.602 -8.080 2.074 97 HZ2 LYS 14 HZ2 LYS 14 17.051 -9.646 1.615 98 HZ3 LYS 14 HZ3 LYS 14 18.240 -8.496 1.962 99 H GLY 15 H GLY 15 12.869 -8.023 7.695 100 HA2 GLY 15 HA2 GLY 15 12.129 -6.769 9.466 101 HA3 GLY 15 HA3 GLY 15 13.633 -5.868 9.403 102 H GLY 16 H GLY 16 11.267 -6.122 6.764 103 HA2 GLY 16 HA2 GLY 16 9.722 -4.604 5.939 104 HA3 GLY 16 HA3 GLY 16 10.092 -3.506 7.257 105 H ALA 17 H ALA 17 11.996 -4.942 4.544 106 HA ALA 17 HA ALA 17 13.263 -2.369 3.940 107 HB1 ALA 17 HB1 ALA 17 14.611 -4.436 3.899 108 HB2 ALA 17 HB2 ALA 17 14.603 -3.645 2.321 109 HB3 ALA 17 HB3 ALA 17 13.599 -5.073 2.600 110 H GLN 18 H GLN 18 12.836 -1.106 2.154 111 HA GLN 18 HA GLN 18 10.230 -1.187 1.071 112 HB2 GLN 18 HB2 GLN 18 11.799 0.853 1.497 113 HB3 GLN 18 HB3 GLN 18 12.482 0.505 -0.083 114 HG2 GLN 18 HG2 GLN 18 9.537 1.056 0.378 115 HG3 GLN 18 HG3 GLN 18 10.703 2.315 0.002 116 HE21 GLN 18 HE21 GLN 18 8.303 1.332 -1.466 117 HE22 GLN 18 HE22 GLN 18 8.865 0.934 -3.047 118 H VAL 19 H VAL 19 9.412 -2.113 -0.692 119 HA VAL 19 HA VAL 19 11.133 -3.337 -2.777 120 HB VAL 19 HB VAL 19 8.243 -4.038 -2.034 121 HG11 VAL 19 HG11 VAL 19 8.550 -6.043 -3.449 122 HG12 VAL 19 HG12 VAL 19 10.168 -5.492 -3.893 123 HG13 VAL 19 HG13 VAL 19 8.753 -4.558 -4.384 124 HG21 VAL 19 HG21 VAL 19 10.787 -5.545 -1.304 125 HG22 VAL 19 HG22 VAL 19 9.139 -6.096 -0.990 126 HG23 VAL 19 HG23 VAL 19 9.752 -4.648 -0.189 127 H GLY 20 H GLY 20 11.093 -2.311 -4.736 128 HA2 GLY 20 HA2 GLY 20 10.158 -1.410 -6.677 129 HA3 GLY 20 HA3 GLY 20 8.613 -1.241 -5.860 130 H ASP 21 H ASP 21 8.001 0.827 -5.448 131 HA ASP 21 HA ASP 21 9.962 2.897 -4.759 132 HB2 ASP 21 HB2 ASP 21 9.086 4.469 -6.506 133 HB3 ASP 21 HB3 ASP 21 9.936 3.081 -7.168 134 H ILE 22 H ILE 22 8.923 4.999 -4.206 135 HA ILE 22 HA ILE 22 6.647 4.587 -2.424 136 HB ILE 22 HB ILE 22 8.653 6.850 -2.757 137 HG12 ILE 22 HG12 ILE 22 9.150 6.311 -0.293 138 HG13 ILE 22 HG13 ILE 22 8.130 4.893 -0.484 139 HG21 ILE 22 HG21 ILE 22 7.647 8.093 -0.914 140 HG22 ILE 22 HG22 ILE 22 6.317 6.940 -0.863 141 HG23 ILE 22 HG23 ILE 22 6.538 7.959 -2.284 142 HD11 ILE 22 HD11 ILE 22 10.485 4.340 -0.629 143 HD12 ILE 22 HD12 ILE 22 10.690 5.460 -1.974 144 HD13 ILE 22 HD13 ILE 22 9.687 4.020 -2.169 145 H VAL 23 H VAL 23 4.593 5.049 -3.082 146 HA VAL 23 HA VAL 23 4.175 6.692 -5.530 147 HB VAL 23 HB VAL 23 2.374 4.537 -4.328 148 HG11 VAL 23 HG11 VAL 23 1.047 6.189 -5.564 149 HG12 VAL 23 HG12 VAL 23 1.079 4.652 -6.428 150 HG13 VAL 23 HG13 VAL 23 2.080 5.996 -6.984 151 HG21 VAL 23 HG21 VAL 23 3.035 3.104 -6.223 152 HG22 VAL 23 HG22 VAL 23 4.421 3.530 -5.218 153 HG23 VAL 23 HG23 VAL 23 4.177 4.339 -6.769 154 H THR 24 H THR 24 3.751 8.771 -4.760 155 HA THR 24 HA THR 24 1.884 9.166 -2.520 156 HB THR 24 HB THR 24 2.422 11.619 -2.811 157 HG1 THR 24 HG1 THR 24 3.045 11.579 -5.014 158 HG21 THR 24 HG21 THR 24 4.825 9.792 -2.421 159 HG22 THR 24 HG22 THR 24 3.678 10.282 -1.169 160 HG23 THR 24 HG23 THR 24 4.725 11.485 -1.924 161 H VAL 25 H VAL 25 -0.222 9.425 -2.848 162 HA VAL 25 HA VAL 25 -1.252 10.759 -5.289 163 HB VAL 25 HB VAL 25 -3.498 9.828 -4.664 164 HG11 VAL 25 HG11 VAL 25 -2.111 8.591 -6.277 165 HG12 VAL 25 HG12 VAL 25 -3.066 7.473 -5.302 166 HG13 VAL 25 HG13 VAL 25 -1.345 7.693 -4.963 167 HG21 VAL 25 HG21 VAL 25 -3.692 8.054 -2.939 168 HG22 VAL 25 HG22 VAL 25 -3.191 9.587 -2.225 169 HG23 VAL 25 HG23 VAL 25 -2.004 8.306 -2.483 170 H THR 26 H THR 26 -2.849 12.480 -4.970 171 HA THR 26 HA THR 26 -2.724 13.794 -2.300 172 HB THR 26 HB THR 26 -2.377 15.297 -4.943 173 HG1 THR 26 HG1 THR 26 -0.370 14.949 -2.962 174 HG21 THR 26 HG21 THR 26 -1.766 17.222 -3.497 175 HG22 THR 26 HG22 THR 26 -2.087 16.252 -2.057 176 HG23 THR 26 HG23 THR 26 -3.408 16.676 -3.149 177 H GLY 27 H GLY 27 -4.641 14.458 -1.555 178 HA2 GLY 27 HA2 GLY 27 -6.803 15.402 -3.247 179 HA3 GLY 27 HA3 GLY 27 -7.116 13.831 -2.509 180 H LYS 28 H LYS 28 -8.885 14.803 -1.327 181 HA LYS 28 HA LYS 28 -8.121 16.724 0.821 182 HB2 LYS 28 HB2 LYS 28 -10.905 16.254 -0.337 183 HB3 LYS 28 HB3 LYS 28 -10.435 17.522 0.790 184 HG2 LYS 28 HG2 LYS 28 -9.527 17.273 -2.103 185 HG3 LYS 28 HG3 LYS 28 -10.729 18.410 -1.490 186 HD2 LYS 28 HD2 LYS 28 -7.813 18.357 -0.608 187 HD3 LYS 28 HD3 LYS 28 -8.443 19.415 -1.869 188 HE2 LYS 28 HE2 LYS 28 -9.385 19.416 1.021 189 HE3 LYS 28 HE3 LYS 28 -8.224 20.553 0.336 190 HZ1 LYS 28 HZ1 LYS 28 -9.916 21.336 -1.175 191 HZ2 LYS 28 HZ2 LYS 28 -10.464 21.461 0.420 192 HZ3 LYS 28 HZ3 LYS 28 -11.027 20.216 -0.569 193 H THR 29 H THR 29 -8.942 16.356 2.950 194 HA THR 29 HA THR 29 -9.334 13.761 3.914 195 HB THR 29 HB THR 29 -10.340 14.870 5.987 196 HG1 THR 29 HG1 THR 29 -9.628 17.402 5.117 197 HG21 THR 29 HG21 THR 29 -8.279 16.032 6.659 198 HG22 THR 29 HG22 THR 29 -7.736 16.070 4.980 199 HG23 THR 29 HG23 THR 29 -7.901 14.525 5.820 200 H ASP 30 H ASP 30 -11.739 16.053 2.731 201 HA ASP 30 HA ASP 30 -14.090 14.536 3.307 202 HB2 ASP 30 HB2 ASP 30 -14.181 16.949 2.859 203 HB3 ASP 30 HB3 ASP 30 -13.522 16.716 1.246 204 H ASP 31 H ASP 31 -11.723 14.459 0.738 205 HA ASP 31 HA ASP 31 -13.357 12.895 -1.117 206 HB2 ASP 31 HB2 ASP 31 -12.032 14.799 -1.961 207 HB3 ASP 31 HB3 ASP 31 -10.554 14.077 -1.338 208 H SER 32 H SER 32 -12.733 10.816 -1.912 209 HA SER 32 HA SER 32 -10.504 9.400 -0.554 210 HB2 SER 32 HB2 SER 32 -11.868 7.309 -0.602 211 HB3 SER 32 HB3 SER 32 -12.643 8.563 0.366 212 HG SER 32 HG SER 32 -14.298 8.082 -0.851 213 H THR 33 H THR 33 -9.215 8.210 -1.859 214 HA THR 33 HA THR 33 -9.774 8.013 -4.781 215 HB THR 33 HB THR 33 -7.884 9.534 -4.397 216 HG1 THR 33 HG1 THR 33 -6.625 7.171 -5.317 217 HG21 THR 33 HG21 THR 33 -5.774 8.795 -3.382 218 HG22 THR 33 HG22 THR 33 -6.487 7.224 -3.011 219 HG23 THR 33 HG23 THR 33 -7.093 8.679 -2.214 220 H THR 34 H THR 34 -8.762 6.158 -5.886 221 HA THR 34 HA THR 34 -8.753 3.679 -4.247 222 HB THR 34 HB THR 34 -9.307 2.486 -6.346 223 HG1 THR 34 HG1 THR 34 -9.597 3.628 -8.263 224 HG21 THR 34 HG21 THR 34 -11.208 3.377 -5.022 225 HG22 THR 34 HG22 THR 34 -11.572 3.381 -6.749 226 HG23 THR 34 HG23 THR 34 -11.136 4.886 -5.937 227 H TYR 35 H TYR 35 -7.083 2.140 -4.513 228 HA TYR 35 HA TYR 35 -4.935 2.643 -6.476 229 HB2 TYR 35 HB2 TYR 35 -4.136 3.620 -4.322 230 HB3 TYR 35 HB3 TYR 35 -4.383 2.070 -3.526 231 HD1 TYR 35 HD2 TYR 35 -2.329 3.854 -6.063 232 HD2 TYR 35 HD1 TYR 35 -2.714 0.273 -3.754 233 HE1 TYR 35 HE2 TYR 35 -0.071 3.181 -6.736 234 HE2 TYR 35 HE1 TYR 35 -0.455 -0.399 -4.434 235 HH TYR 35 HH TYR 35 1.754 1.711 -5.879 236 H THR 36 H THR 36 -4.544 0.815 -7.612 237 HA THR 36 HA THR 36 -5.370 -1.815 -6.613 238 HB THR 36 HB THR 36 -4.094 -1.071 -9.287 239 HG1 THR 36 HG1 THR 36 -6.046 -0.460 -9.752 240 HG21 THR 36 HG21 THR 36 -4.871 -3.306 -10.048 241 HG22 THR 36 HG22 THR 36 -5.409 -3.676 -8.408 242 HG23 THR 36 HG23 THR 36 -3.689 -3.452 -8.742 243 H VAL 37 H VAL 37 -4.012 -2.978 -5.379 244 HA VAL 37 HA VAL 37 -1.209 -2.372 -5.066 245 HB VAL 37 HB VAL 37 -2.868 -4.664 -3.903 246 HG11 VAL 37 HG11 VAL 37 -0.122 -3.661 -3.043 247 HG12 VAL 37 HG12 VAL 37 -0.470 -5.205 -3.822 248 HG13 VAL 37 HG13 VAL 37 -1.078 -4.884 -2.198 249 HG21 VAL 37 HG21 VAL 37 -2.994 -3.289 -1.846 250 HG22 VAL 37 HG22 VAL 37 -3.742 -2.471 -3.218 251 HG23 VAL 37 HG23 VAL 37 -2.139 -1.979 -2.668 252 H THR 38 H THR 38 0.447 -3.283 -6.137 253 HA THR 38 HA THR 38 -0.008 -5.565 -7.977 254 HB THR 38 HB THR 38 2.108 -3.359 -8.142 255 HG1 THR 38 HG1 THR 38 -0.105 -2.718 -8.599 256 HG21 THR 38 HG21 THR 38 1.412 -5.562 -10.136 257 HG22 THR 38 HG22 THR 38 2.894 -5.472 -9.183 258 HG23 THR 38 HG23 THR 38 2.567 -4.252 -10.412 259 H ILE 39 H ILE 39 0.701 -7.399 -6.988 260 HA ILE 39 HA ILE 39 3.044 -7.403 -5.212 261 HB ILE 39 HB ILE 39 1.207 -9.740 -5.913 262 HG12 ILE 39 HG12 ILE 39 -0.136 -7.974 -4.854 263 HG13 ILE 39 HG13 ILE 39 0.083 -9.296 -3.715 264 HG21 ILE 39 HG21 ILE 39 3.206 -9.416 -3.631 265 HG22 ILE 39 HG22 ILE 39 3.381 -10.482 -5.026 266 HG23 ILE 39 HG23 ILE 39 2.110 -10.786 -3.843 267 HD11 ILE 39 HD11 ILE 39 1.800 -8.007 -2.547 268 HD12 ILE 39 HD12 ILE 39 0.274 -7.129 -2.632 269 HD13 ILE 39 HD13 ILE 39 1.603 -6.687 -3.703 270 HA PRO 40 HA PRO 40 5.436 -8.737 -8.912 271 HB2 PRO 40 HB2 PRO 40 7.942 -8.529 -7.809 272 HB3 PRO 40 HB3 PRO 40 7.024 -7.129 -8.376 273 HG2 PRO 40 HG2 PRO 40 7.318 -8.178 -5.563 274 HG3 PRO 40 HG3 PRO 40 7.413 -6.502 -6.138 275 HD2 PRO 40 HD2 PRO 40 5.162 -7.518 -4.978 276 HD3 PRO 40 HD3 PRO 40 5.092 -6.274 -6.245 277 H ASP 41 H ASP 41 6.319 -10.695 -9.568 278 HA ASP 41 HA ASP 41 5.824 -13.018 -8.031 279 HB2 ASP 41 HB2 ASP 41 7.367 -12.615 -10.619 280 HB3 ASP 41 HB3 ASP 41 7.125 -14.207 -9.899 281 H GLY 42 H GLY 42 7.106 -14.393 -6.898 282 HA2 GLY 42 HA2 GLY 42 9.106 -15.089 -5.794 283 HA3 GLY 42 HA3 GLY 42 9.845 -13.532 -6.153 284 H TYR 43 H TYR 43 7.224 -12.178 -5.318 285 HA TYR 43 HA TYR 43 7.682 -12.250 -2.400 286 HB2 TYR 43 HB2 TYR 43 6.486 -10.075 -4.162 287 HB3 TYR 43 HB3 TYR 43 6.554 -9.994 -2.401 288 HD1 TYR 43 HD2 TYR 43 8.731 -10.180 -5.465 289 HD2 TYR 43 HD1 TYR 43 8.534 -9.208 -1.299 290 HE1 TYR 43 HE2 TYR 43 10.978 -9.200 -5.586 291 HE2 TYR 43 HE1 TYR 43 10.783 -8.234 -1.426 292 HH TYR 43 HH TYR 43 12.371 -7.608 -4.390 293 H GLU 44 H GLU 44 5.998 -12.393 -0.964 294 HA GLU 44 HA GLU 44 3.468 -13.602 -1.932 295 HB2 GLU 44 HB2 GLU 44 4.964 -14.021 0.699 296 HB3 GLU 44 HB3 GLU 44 3.464 -14.819 0.247 297 HG2 GLU 44 HG2 GLU 44 6.083 -15.149 -1.259 298 HG3 GLU 44 HG3 GLU 44 5.536 -16.235 0.014 299 H TYR 45 H TYR 45 1.661 -12.320 -1.577 300 HA TYR 45 HA TYR 45 1.729 -9.937 -0.024 301 HB2 TYR 45 HB2 TYR 45 0.211 -10.143 -1.932 302 HB3 TYR 45 HB3 TYR 45 -0.658 -11.462 -1.151 303 HD1 TYR 45 HD2 TYR 45 0.299 -7.873 -0.540 304 HD2 TYR 45 HD1 TYR 45 -2.651 -10.916 0.067 305 HE1 TYR 45 HE2 TYR 45 -1.158 -6.246 0.554 306 HE2 TYR 45 HE1 TYR 45 -4.104 -9.279 1.178 307 HH TYR 45 HH TYR 45 -3.870 -7.133 2.378 308 H VAL 46 H VAL 46 1.714 -9.790 2.162 309 HA VAL 46 HA VAL 46 0.654 -11.988 3.824 310 HB VAL 46 HB VAL 46 2.423 -9.623 4.616 311 HG11 VAL 46 HG11 VAL 46 1.139 -10.446 6.543 312 HG12 VAL 46 HG12 VAL 46 2.843 -10.861 6.720 313 HG13 VAL 46 HG13 VAL 46 1.683 -12.098 6.229 314 HG21 VAL 46 HG21 VAL 46 4.282 -11.247 4.693 315 HG22 VAL 46 HG22 VAL 46 3.593 -11.139 3.073 316 HG23 VAL 46 HG23 VAL 46 3.206 -12.519 4.105 317 H GLY 47 H GLY 47 0.540 -8.424 3.574 318 HA2 GLY 47 HA2 GLY 47 -2.210 -8.135 4.149 319 HA3 GLY 47 HA3 GLY 47 -1.304 -7.907 5.644 320 H THR 48 H THR 48 -2.707 -5.773 4.909 321 HA THR 48 HA THR 48 -0.666 -3.822 4.063 322 HB THR 48 HB THR 48 -3.413 -4.008 2.732 323 HG1 THR 48 HG1 THR 48 -2.331 -5.000 1.239 324 HG21 THR 48 HG21 THR 48 -2.729 -2.046 1.390 325 HG22 THR 48 HG22 THR 48 -1.269 -1.885 2.369 326 HG23 THR 48 HG23 THR 48 -2.857 -1.638 3.103 327 H ASP 49 H ASP 49 -0.914 -1.780 4.950 328 HA ASP 49 HA ASP 49 -2.892 -1.472 7.138 329 HB2 ASP 49 HB2 ASP 49 -0.132 -0.182 6.958 330 HB3 ASP 49 HB3 ASP 49 -1.223 -0.169 8.342 331 H GLY 50 H GLY 50 -3.751 0.665 7.487 332 HA2 GLY 50 HA2 GLY 50 -3.650 3.059 7.082 333 HA3 GLY 50 HA3 GLY 50 -3.173 2.744 5.422 334 H GLY 51 H GLY 51 -4.813 1.831 3.972 335 HA2 GLY 51 HA2 GLY 51 -7.400 3.163 4.432 336 HA3 GLY 51 HA3 GLY 51 -6.769 2.576 2.904 337 H VAL 52 H VAL 52 -8.932 1.751 2.585 338 HA VAL 52 HA VAL 52 -9.793 -0.587 4.171 339 HB VAL 52 HB VAL 52 -11.191 0.890 1.884 340 HG11 VAL 52 HG11 VAL 52 -12.288 -1.319 3.672 341 HG12 VAL 52 HG12 VAL 52 -11.950 -1.439 1.944 342 HG13 VAL 52 HG13 VAL 52 -13.234 -0.376 2.517 343 HG21 VAL 52 HG21 VAL 52 -11.023 2.290 3.890 344 HG22 VAL 52 HG22 VAL 52 -11.728 1.007 4.877 345 HG23 VAL 52 HG23 VAL 52 -12.699 1.796 3.631 346 H VAL 53 H VAL 53 -8.792 -2.456 3.545 347 HA VAL 53 HA VAL 53 -7.791 -2.772 0.801 348 HB VAL 53 HB VAL 53 -7.366 -4.617 3.197 349 HG11 VAL 53 HG11 VAL 53 -6.929 -5.727 1.039 350 HG12 VAL 53 HG12 VAL 53 -5.424 -5.470 1.923 351 HG13 VAL 53 HG13 VAL 53 -5.840 -4.418 0.568 352 HG21 VAL 53 HG21 VAL 53 -5.180 -3.501 3.480 353 HG22 VAL 53 HG22 VAL 53 -6.515 -2.365 3.695 354 HG23 VAL 53 HG23 VAL 53 -5.591 -2.368 2.189 355 H SER 54 H SER 54 -8.389 -4.390 -0.599 356 HA SER 54 HA SER 54 -11.014 -5.491 -0.520 357 HB2 SER 54 HB2 SER 54 -9.962 -4.922 -2.662 358 HB3 SER 54 HB3 SER 54 -8.656 -6.068 -2.369 359 HG SER 54 HG SER 54 -10.958 -6.516 -3.581 360 H SER 55 H SER 55 -11.552 -7.793 -0.754 361 HA SER 55 HA SER 55 -10.694 -9.497 1.286 362 HB2 SER 55 HB2 SER 55 -11.923 -11.291 0.019 363 HB3 SER 55 HB3 SER 55 -12.853 -9.799 0.158 364 HG SER 55 HG SER 55 -11.542 -10.882 -2.094 365 H ASP 56 H ASP 56 -9.602 -9.304 -2.075 366 HA ASP 56 HA ASP 56 -7.655 -11.503 -1.747 367 HB2 ASP 56 HB2 ASP 56 -8.393 -9.871 -4.220 368 HB3 ASP 56 HB3 ASP 56 -7.340 -11.285 -4.200 369 H GLY 57 H GLY 57 -7.664 -8.257 -1.070 370 HA2 GLY 57 HA2 GLY 57 -6.064 -6.654 -0.711 371 HA3 GLY 57 HA3 GLY 57 -4.855 -7.911 -0.896 372 H LYS 58 H LYS 58 -7.175 -7.074 -3.384 373 HA LYS 58 HA LYS 58 -5.049 -6.476 -5.295 374 HB2 LYS 58 HB2 LYS 58 -8.038 -6.958 -5.536 375 HB3 LYS 58 HB3 LYS 58 -7.067 -6.461 -6.912 376 HG2 LYS 58 HG2 LYS 58 -6.470 -8.965 -5.303 377 HG3 LYS 58 HG3 LYS 58 -7.546 -8.956 -6.701 378 HD2 LYS 58 HD2 LYS 58 -4.612 -8.122 -6.756 379 HD3 LYS 58 HD3 LYS 58 -5.230 -9.692 -7.275 380 HE2 LYS 58 HE2 LYS 58 -6.593 -8.564 -9.021 381 HE3 LYS 58 HE3 LYS 58 -5.935 -7.005 -8.519 382 HZ1 LYS 58 HZ1 LYS 58 -4.395 -9.277 -9.654 383 HZ2 LYS 58 HZ2 LYS 58 -3.728 -7.821 -9.117 384 HZ3 LYS 58 HZ3 LYS 58 -4.780 -7.827 -10.437 385 H THR 59 H THR 59 -7.586 -4.756 -3.569 386 HA THR 59 HA THR 59 -6.788 -2.185 -4.809 387 HB THR 59 HB THR 59 -9.155 -1.399 -4.843 388 HG1 THR 59 HG1 THR 59 -10.817 -2.697 -4.249 389 HG21 THR 59 HG21 THR 59 -10.003 -2.696 -6.756 390 HG22 THR 59 HG22 THR 59 -8.843 -3.983 -6.423 391 HG23 THR 59 HG23 THR 59 -8.272 -2.392 -6.938 392 H VAL 60 H VAL 60 -6.960 -0.373 -3.424 393 HA VAL 60 HA VAL 60 -7.893 -0.755 -0.642 394 HB VAL 60 HB VAL 60 -5.272 0.643 -1.397 395 HG11 VAL 60 HG11 VAL 60 -6.552 0.303 1.349 396 HG12 VAL 60 HG12 VAL 60 -6.388 1.818 0.455 397 HG13 VAL 60 HG13 VAL 60 -4.950 0.983 1.041 398 HG21 VAL 60 HG21 VAL 60 -5.681 -1.904 0.227 399 HG22 VAL 60 HG22 VAL 60 -4.134 -1.105 -0.072 400 HG23 VAL 60 HG23 VAL 60 -5.032 -1.816 -1.412 401 H THR 61 H THR 61 -9.480 0.733 -0.254 402 HA THR 61 HA THR 61 -9.712 3.200 -1.762 403 HB THR 61 HB THR 61 -11.347 2.363 0.681 404 HG1 THR 61 HG1 THR 61 -12.787 1.419 -0.737 405 HG21 THR 61 HG21 THR 61 -13.061 3.881 -0.251 406 HG22 THR 61 HG22 THR 61 -11.982 4.304 -1.580 407 HG23 THR 61 HG23 THR 61 -11.565 4.761 0.075 408 H ILE 62 H ILE 62 -8.216 4.669 -1.277 409 HA ILE 62 HA ILE 62 -7.142 5.118 1.407 410 HB ILE 62 HB ILE 62 -6.449 6.473 -1.239 411 HG12 ILE 62 HG12 ILE 62 -5.026 4.126 0.092 412 HG13 ILE 62 HG13 ILE 62 -6.045 4.013 -1.337 413 HG21 ILE 62 HG21 ILE 62 -4.349 7.152 -0.119 414 HG22 ILE 62 HG22 ILE 62 -4.915 6.418 1.382 415 HG23 ILE 62 HG23 ILE 62 -5.766 7.807 0.706 416 HD11 ILE 62 HD11 ILE 62 -3.699 3.978 -1.921 417 HD12 ILE 62 HD12 ILE 62 -3.456 5.538 -1.133 418 HD13 ILE 62 HD13 ILE 62 -4.481 5.420 -2.567 419 H THR 63 H THR 63 -8.541 6.384 2.665 420 HA THR 63 HA THR 63 -9.595 8.889 1.470 421 HB THR 63 HB THR 63 -10.501 7.706 4.137 422 HG1 THR 63 HG1 THR 63 -11.424 6.218 2.932 423 HG21 THR 63 HG21 THR 63 -11.024 10.104 3.772 424 HG22 THR 63 HG22 THR 63 -12.500 9.137 3.723 425 HG23 THR 63 HG23 THR 63 -11.769 9.710 2.216 426 H PHE 64 H PHE 64 -8.746 10.794 2.135 427 HA PHE 64 HA PHE 64 -6.263 10.703 3.556 428 HB2 PHE 64 HB2 PHE 64 -7.774 13.073 2.402 429 HB3 PHE 64 HB3 PHE 64 -6.130 13.144 3.031 430 HD1 PHE 64 HD1 PHE 64 -8.262 11.721 0.330 431 HD2 PHE 64 HD2 PHE 64 -4.258 12.362 1.713 432 HE1 PHE 64 HE1 PHE 64 -7.391 11.022 -1.853 433 HE2 PHE 64 HE2 PHE 64 -3.397 11.664 -0.480 434 HZ PHE 64 HZ PHE 64 -4.960 10.990 -2.261 435 H ALA 65 H ALA 65 -5.617 11.790 5.420 436 HA ALA 65 HA ALA 65 -7.637 12.861 7.278 437 HB1 ALA 65 HB1 ALA 65 -6.883 11.365 9.092 438 HB2 ALA 65 HB2 ALA 65 -5.781 10.550 7.977 439 HB3 ALA 65 HB3 ALA 65 -7.525 10.432 7.738 440 H ALA 66 H ALA 66 -6.748 14.127 8.991 441 HA ALA 66 HA ALA 66 -4.427 15.655 8.490 442 HB1 ALA 66 HB1 ALA 66 -5.905 15.270 11.118 443 HB2 ALA 66 HB2 ALA 66 -6.295 16.464 9.880 444 HB3 ALA 66 HB3 ALA 66 -4.767 16.571 10.756 445 H ASP 67 H ASP 67 -4.908 12.688 10.317 446 HA ASP 67 HA ASP 67 -2.058 12.512 11.095 447 HB2 ASP 67 HB2 ASP 67 -4.398 10.684 11.817 448 HB3 ASP 67 HB3 ASP 67 -2.773 10.610 12.496 449 H ASP 68 H ASP 68 -1.196 10.104 10.852 450 HA ASP 68 HA ASP 68 -1.303 9.450 8.018 451 HB2 ASP 68 HB2 ASP 68 0.268 8.108 10.264 452 HB3 ASP 68 HB3 ASP 68 0.468 7.783 8.544 453 H SER 69 H SER 69 -3.667 8.915 8.189 454 HA SER 69 HA SER 69 -4.167 6.054 8.863 455 HB2 SER 69 HB2 SER 69 -6.171 8.321 8.440 456 HB3 SER 69 HB3 SER 69 -6.569 6.663 8.904 457 HG SER 69 HG SER 69 -5.106 7.129 10.771 458 H ASP 70 H ASP 70 -3.706 8.253 6.363 459 HA ASP 70 HA ASP 70 -5.187 6.799 4.290 460 HB2 ASP 70 HB2 ASP 70 -4.345 8.806 2.876 461 HB3 ASP 70 HB3 ASP 70 -5.546 9.120 4.118 462 H ASN 71 H ASN 71 -1.924 7.297 5.421 463 HA ASN 71 HA ASN 71 -0.517 6.582 3.043 464 HB2 ASN 71 HB2 ASN 71 0.407 6.604 5.952 465 HB3 ASN 71 HB3 ASN 71 1.471 6.469 4.549 466 HD21 ASN 71 HD21 ASN 71 -0.620 8.609 6.348 467 HD22 ASN 71 HD22 ASN 71 -0.102 10.071 5.603 468 H VAL 72 H VAL 72 -0.391 4.628 2.171 469 HA VAL 72 HA VAL 72 -1.412 2.266 3.584 470 HB VAL 72 HB VAL 72 -1.034 2.914 0.624 471 HG11 VAL 72 HG11 VAL 72 -0.712 0.496 0.919 472 HG12 VAL 72 HG12 VAL 72 -2.241 0.821 0.102 473 HG13 VAL 72 HG13 VAL 72 -2.230 0.388 1.813 474 HG21 VAL 72 HG21 VAL 72 -3.515 2.921 0.566 475 HG22 VAL 72 HG22 VAL 72 -2.879 4.133 1.679 476 HG23 VAL 72 HG23 VAL 72 -3.551 2.626 2.307 477 H VAL 73 H VAL 73 -0.027 0.698 4.281 478 HA VAL 73 HA VAL 73 2.680 0.452 3.060 479 HB VAL 73 HB VAL 73 1.916 -0.141 5.967 480 HG11 VAL 73 HG11 VAL 73 4.356 -0.401 6.348 481 HG12 VAL 73 HG12 VAL 73 4.654 -0.176 4.622 482 HG13 VAL 73 HG13 VAL 73 3.751 -1.585 5.185 483 HG21 VAL 73 HG21 VAL 73 3.254 1.851 6.578 484 HG22 VAL 73 HG22 VAL 73 1.889 2.288 5.547 485 HG23 VAL 73 HG23 VAL 73 3.516 2.209 4.866 486 H ILE 74 H ILE 74 2.728 -1.360 1.828 487 HA ILE 74 HA ILE 74 1.078 -3.713 2.472 488 HB ILE 74 HB ILE 74 2.851 -3.238 0.019 489 HG12 ILE 74 HG12 ILE 74 0.553 -3.118 -1.197 490 HG13 ILE 74 HG13 ILE 74 -0.158 -2.872 0.392 491 HG21 ILE 74 HG21 ILE 74 2.596 -5.639 0.475 492 HG22 ILE 74 HG22 ILE 74 1.707 -5.196 -0.983 493 HG23 ILE 74 HG23 ILE 74 0.838 -5.463 0.532 494 HD11 ILE 74 HD11 ILE 74 1.882 -1.098 -0.935 495 HD12 ILE 74 HD12 ILE 74 1.143 -0.828 0.646 496 HD13 ILE 74 HD13 ILE 74 0.149 -0.794 -0.810 497 H HIS 75 H HIS 75 1.928 -5.584 3.257 498 HA HIS 75 HA HIS 75 4.836 -5.774 3.763 499 HB2 HIS 75 HB2 HIS 75 2.484 -6.973 5.285 500 HB3 HIS 75 HB3 HIS 75 4.173 -7.371 5.613 501 HD1 HIS 75 HD1 HIS 75 5.172 -6.019 7.443 502 HD2 HIS 75 HD2 HIS 75 2.091 -3.960 5.569 503 HE1 HIS 75 HE1 HIS 75 5.006 -3.821 8.635 504 HE2 HIS 75 HE2 HIS 75 3.007 -2.705 7.621 505 H LEU 76 H LEU 76 5.963 -7.494 3.022 506 HA LEU 76 HA LEU 76 4.561 -9.603 1.477 507 HB2 LEU 76 HB2 LEU 76 7.019 -8.015 0.620 508 HB3 LEU 76 HB3 LEU 76 6.364 -9.392 -0.258 509 HG LEU 76 HG LEU 76 4.907 -6.750 0.190 510 HD11 LEU 76 HD11 LEU 76 5.233 -6.314 -2.194 511 HD12 LEU 76 HD12 LEU 76 6.187 -7.790 -2.353 512 HD13 LEU 76 HD13 LEU 76 6.781 -6.458 -1.359 513 HD21 LEU 76 HD21 LEU 76 3.335 -8.632 0.039 514 HD22 LEU 76 HD22 LEU 76 4.073 -9.148 -1.482 515 HD23 LEU 76 HD23 LEU 76 3.225 -7.603 -1.390 516 H LYS 77 H LYS 77 5.800 -11.560 1.100 517 HA LYS 77 HA LYS 77 8.173 -11.987 2.841 518 HB2 LYS 77 HB2 LYS 77 5.871 -13.845 2.157 519 HB3 LYS 77 HB3 LYS 77 7.438 -14.515 2.580 520 HG2 LYS 77 HG2 LYS 77 5.715 -12.755 4.359 521 HG3 LYS 77 HG3 LYS 77 5.951 -14.500 4.509 522 HD2 LYS 77 HD2 LYS 77 8.485 -13.936 4.729 523 HD3 LYS 77 HD3 LYS 77 7.960 -12.278 5.015 524 HE2 LYS 77 HE2 LYS 77 6.753 -12.958 7.005 525 HE3 LYS 77 HE3 LYS 77 7.061 -14.665 6.661 526 HZ1 LYS 77 HZ1 LYS 77 9.061 -12.594 7.393 527 HZ2 LYS 77 HZ2 LYS 77 9.472 -14.148 6.858 528 HZ3 LYS 77 HZ3 LYS 77 8.604 -13.949 8.301 529 H HIS 78 H HIS 78 9.769 -13.507 1.986 530 HA HIS 78 HA HIS 78 10.049 -13.404 -0.950 531 HB2 HIS 78 HB2 HIS 78 12.038 -14.038 1.267 532 HB3 HIS 78 HB3 HIS 78 12.418 -14.167 -0.447 533 HD1 HIS 78 HD1 HIS 78 14.199 -12.328 0.915 534 HD2 HIS 78 HD2 HIS 78 10.474 -11.024 -0.410 535 HE1 HIS 78 HE1 HIS 78 14.409 -9.849 0.635 536 HE2 HIS 78 HE2 HIS 78 12.114 -9.074 0.023 537 H GLY 79 H GLY 79 10.128 -15.174 -2.230 538 HA2 GLY 79 HA2 GLY 79 9.579 -17.252 -2.995 539 HA3 GLY 79 HA3 GLY 79 10.857 -17.706 -1.897 540 H LEU 80 H LEU 80 10.376 -18.970 -0.169 541 HA LEU 80 HA LEU 80 7.626 -20.048 0.018 542 HB2 LEU 80 HB2 LEU 80 10.284 -21.473 0.458 543 HB3 LEU 80 HB3 LEU 80 8.704 -22.194 0.694 544 HG LEU 80 HG LEU 80 8.315 -21.704 -1.849 545 HD11 LEU 80 HD11 LEU 80 11.345 -21.556 -1.831 546 HD12 LEU 80 HD12 LEU 80 10.243 -20.241 -2.234 547 HD13 LEU 80 HD13 LEU 80 10.319 -21.665 -3.267 548 HD21 LEU 80 HD21 LEU 80 10.301 -23.845 -1.018 549 HD22 LEU 80 HD22 LEU 80 9.327 -23.843 -2.492 550 HD23 LEU 80 HD23 LEU 80 8.540 -23.963 -0.920 551 H GLU 81 H GLU 81 8.328 -17.802 1.671 552 HA GLU 81 HA GLU 81 8.981 -18.833 4.331 553 HB2 GLU 81 HB2 GLU 81 8.308 -16.045 3.346 554 HB3 GLU 81 HB3 GLU 81 8.474 -16.420 5.057 555 HG2 GLU 81 HG2 GLU 81 10.817 -17.227 4.575 556 HG3 GLU 81 HG3 GLU 81 10.626 -16.617 2.932 557 H HIS 82 H HIS 82 7.068 -20.334 3.958 558 HA HIS 82 HA HIS 82 4.956 -19.497 5.815 559 HB2 HIS 82 HB2 HIS 82 4.427 -20.833 3.115 560 HB3 HIS 82 HB3 HIS 82 3.247 -20.817 4.422 561 HD1 HIS 82 HD1 HIS 82 4.704 -18.689 1.740 562 HD2 HIS 82 HD2 HIS 82 2.034 -18.290 4.896 563 HE1 HIS 82 HE1 HIS 82 3.569 -16.487 1.395 564 HE2 HIS 82 HE2 HIS 82 1.898 -16.311 3.258 565 H HIS 83 H HIS 83 7.472 -21.441 5.270 566 HA HIS 83 HA HIS 83 6.428 -23.763 6.730 567 HB2 HIS 83 HB2 HIS 83 6.142 -24.190 4.231 568 HB3 HIS 83 HB3 HIS 83 7.889 -24.087 4.065 569 HD1 HIS 83 HD1 HIS 83 9.264 -26.136 4.841 570 HD2 HIS 83 HD2 HIS 83 5.189 -26.558 5.506 571 HE1 HIS 83 HE1 HIS 83 8.916 -28.554 5.388 572 HE2 HIS 83 HE2 HIS 83 6.456 -28.783 5.799 573 H HIS 84 H HIS 84 7.889 -24.349 8.243 574 HA HIS 84 HA HIS 84 10.547 -23.224 8.408 575 HB2 HIS 84 HB2 HIS 84 9.159 -25.306 10.147 576 HB3 HIS 84 HB3 HIS 84 10.698 -24.545 10.531 577 HD1 HIS 84 HD1 HIS 84 7.134 -24.180 11.102 578 HD2 HIS 84 HD2 HIS 84 10.398 -21.616 10.924 579 HE1 HIS 84 HE1 HIS 84 6.427 -22.101 12.306 580 HE2 HIS 84 HE2 HIS 84 8.489 -20.674 12.377 581 H HIS 85 H HIS 85 12.422 -24.745 9.045 582 HA HIS 85 HA HIS 85 12.686 -26.887 7.024 583 HB2 HIS 85 HB2 HIS 85 14.787 -25.347 8.603 584 HB3 HIS 85 HB3 HIS 85 15.158 -26.673 7.499 585 HD1 HIS 85 HD1 HIS 85 15.662 -25.972 5.164 586 HD2 HIS 85 HD2 HIS 85 13.386 -23.117 7.138 587 HE1 HIS 85 HE1 HIS 85 15.434 -24.063 3.555 588 HE2 HIS 85 HE2 HIS 85 13.941 -22.413 4.723 589 H HIS 86 H HIS 86 13.001 -26.312 10.513 590 HA HIS 86 HA HIS 86 13.590 -29.126 11.089 591 HB2 HIS 86 HB2 HIS 86 13.304 -26.679 12.878 592 HB3 HIS 86 HB3 HIS 86 13.577 -28.305 13.504 593 HD1 HIS 86 HD1 HIS 86 15.965 -29.170 13.474 594 HD2 HIS 86 HD2 HIS 86 15.543 -25.646 11.318 595 HE1 HIS 86 HE1 HIS 86 18.295 -28.457 12.888 596 HE2 HIS 86 HE2 HIS 86 17.996 -26.446 11.415 597 H HIS 87 H HIS 87 12.154 -30.589 11.883 598 HA HIS 87 HA HIS 87 9.337 -30.179 11.494 599 HB2 HIS 87 HB2 HIS 87 10.442 -32.321 10.940 600 HB3 HIS 87 HB3 HIS 87 10.885 -32.551 12.625 601 HD1 HIS 87 HD1 HIS 87 9.151 -33.616 14.149 602 HD2 HIS 87 HD2 HIS 87 7.624 -32.716 10.390 603 HE1 HIS 87 HE1 HIS 87 6.928 -34.761 14.032 604 HE2 HIS 87 HE2 HIS 87 6.076 -34.300 11.716 Start of MODEL 15 1 H1 MET 1 H1 MET 1 -2.928 24.543 1.275 2 H2 MET 1 H2 MET 1 -3.095 23.618 -0.127 3 H3 MET 1 H3 MET 1 -2.535 22.898 1.297 4 HA MET 1 HA MET 1 -4.651 23.292 2.369 5 HB2 MET 1 HB2 MET 1 -5.516 24.326 -0.356 6 HB3 MET 1 HB3 MET 1 -6.593 24.061 1.011 7 HG2 MET 1 HG2 MET 1 -5.382 25.790 2.290 8 HG3 MET 1 HG3 MET 1 -4.327 26.067 0.904 9 HE1 MET 1 HE1 MET 1 -6.935 27.486 -1.737 10 HE2 MET 1 HE2 MET 1 -6.482 25.796 -1.532 11 HE3 MET 1 HE3 MET 1 -5.245 27.053 -1.475 12 H ASP 2 H ASP 2 -3.343 21.642 -0.262 13 HA ASP 2 HA ASP 2 -5.423 19.544 -0.155 14 HB2 ASP 2 HB2 ASP 2 -4.561 18.806 -2.379 15 HB3 ASP 2 HB3 ASP 2 -5.221 20.435 -2.381 16 H GLU 3 H GLU 3 -4.824 17.380 0.140 17 HA GLU 3 HA GLU 3 -2.234 17.007 1.550 18 HB2 GLU 3 HB2 GLU 3 -4.910 15.616 2.041 19 HB3 GLU 3 HB3 GLU 3 -3.416 15.292 2.925 20 HG2 GLU 3 HG2 GLU 3 -4.968 17.910 2.926 21 HG3 GLU 3 HG3 GLU 3 -4.968 16.707 4.213 22 H ASP 4 H ASP 4 -0.985 15.224 1.104 23 HA ASP 4 HA ASP 4 -1.780 13.427 -1.100 24 HB2 ASP 4 HB2 ASP 4 0.557 12.783 -1.246 25 HB3 ASP 4 HB3 ASP 4 0.450 14.537 -1.232 26 H ALA 5 H ALA 5 -1.348 11.107 -0.862 27 HA ALA 5 HA ALA 5 -1.442 10.035 1.894 28 HB1 ALA 5 HB1 ALA 5 -2.991 8.271 1.131 29 HB2 ALA 5 HB2 ALA 5 -3.025 8.987 -0.483 30 HB3 ALA 5 HB3 ALA 5 -3.690 9.874 0.887 31 H THR 6 H THR 6 0.070 8.450 2.301 32 HA THR 6 HA THR 6 2.079 8.062 0.164 33 HB THR 6 HB THR 6 3.688 7.639 2.030 34 HG1 THR 6 HG1 THR 6 2.853 8.216 4.199 35 HG21 THR 6 HG21 THR 6 2.109 10.217 2.375 36 HG22 THR 6 HG22 THR 6 3.427 9.960 1.229 37 HG23 THR 6 HG23 THR 6 3.750 9.931 2.964 38 H ILE 7 H ILE 7 2.512 6.076 -0.613 39 HA ILE 7 HA ILE 7 1.466 3.638 0.746 40 HB ILE 7 HB ILE 7 1.821 4.015 -2.271 41 HG12 ILE 7 HG12 ILE 7 -0.856 4.085 -0.804 42 HG13 ILE 7 HG13 ILE 7 0.027 5.543 -1.242 43 HG21 ILE 7 HG21 ILE 7 0.429 1.970 -2.463 44 HG22 ILE 7 HG22 ILE 7 0.368 1.847 -0.703 45 HG23 ILE 7 HG23 ILE 7 1.907 1.666 -1.547 46 HD11 ILE 7 HD11 ILE 7 -1.723 5.069 -2.838 47 HD12 ILE 7 HD12 ILE 7 -1.039 3.480 -3.168 48 HD13 ILE 7 HD13 ILE 7 -0.144 4.938 -3.607 49 H THR 8 H THR 8 3.028 2.034 1.144 50 HA THR 8 HA THR 8 5.540 2.034 -0.414 51 HB THR 8 HB THR 8 5.565 2.046 2.646 52 HG1 THR 8 HG1 THR 8 5.828 4.084 0.756 53 HG21 THR 8 HG21 THR 8 7.414 0.707 1.675 54 HG22 THR 8 HG22 THR 8 8.021 2.185 2.418 55 HG23 THR 8 HG23 THR 8 7.879 2.083 0.662 56 H TYR 9 H TYR 9 5.828 0.026 -1.154 57 HA TYR 9 HA TYR 9 4.784 -2.368 0.113 58 HB2 TYR 9 HB2 TYR 9 6.624 -1.972 -2.301 59 HB3 TYR 9 HB3 TYR 9 5.988 -3.532 -1.788 60 HD1 TYR 9 HD2 TYR 9 4.818 -0.111 -2.886 61 HD2 TYR 9 HD1 TYR 9 3.926 -4.293 -2.701 62 HE1 TYR 9 HE2 TYR 9 2.792 0.256 -4.231 63 HE2 TYR 9 HE1 TYR 9 1.912 -3.921 -4.049 64 HH TYR 9 HH TYR 9 0.331 -1.924 -4.492 65 H VAL 10 H VAL 10 5.918 -3.723 1.526 66 HA VAL 10 HA VAL 10 8.748 -3.053 2.094 67 HB VAL 10 HB VAL 10 8.379 -3.570 4.493 68 HG11 VAL 10 HG11 VAL 10 8.311 -1.235 3.763 69 HG12 VAL 10 HG12 VAL 10 7.177 -1.496 5.088 70 HG13 VAL 10 HG13 VAL 10 6.579 -1.359 3.431 71 HG21 VAL 10 HG21 VAL 10 6.433 -5.062 4.327 72 HG22 VAL 10 HG22 VAL 10 5.421 -3.720 3.785 73 HG23 VAL 10 HG23 VAL 10 6.090 -3.719 5.420 74 H ASP 11 H ASP 11 10.201 -4.645 2.434 75 HA ASP 11 HA ASP 11 9.515 -7.425 1.865 76 HB2 ASP 11 HB2 ASP 11 11.469 -6.147 0.825 77 HB3 ASP 11 HB3 ASP 11 12.242 -6.152 2.401 78 H ASP 12 H ASP 12 8.484 -8.144 3.730 79 HA ASP 12 HA ASP 12 9.312 -7.662 6.403 80 HB2 ASP 12 HB2 ASP 12 7.451 -9.735 5.192 81 HB3 ASP 12 HB3 ASP 12 7.692 -9.573 6.934 82 H ASP 13 H ASP 13 10.608 -9.874 4.095 83 HA ASP 13 HA ASP 13 11.780 -11.737 6.004 84 HB2 ASP 13 HB2 ASP 13 12.613 -11.313 3.101 85 HB3 ASP 13 HB3 ASP 13 12.853 -12.751 4.095 86 H LYS 14 H LYS 14 12.485 -8.578 4.965 87 HA LYS 14 HA LYS 14 15.347 -8.730 5.726 88 HB2 LYS 14 HB2 LYS 14 14.399 -8.059 3.234 89 HB3 LYS 14 HB3 LYS 14 14.380 -6.474 3.983 90 HG2 LYS 14 HG2 LYS 14 16.453 -6.769 2.777 91 HG3 LYS 14 HG3 LYS 14 16.802 -6.716 4.508 92 HD2 LYS 14 HD2 LYS 14 18.121 -8.489 3.399 93 HD3 LYS 14 HD3 LYS 14 16.996 -9.181 4.566 94 HE2 LYS 14 HE2 LYS 14 15.447 -9.750 2.687 95 HE3 LYS 14 HE3 LYS 14 16.630 -9.108 1.545 96 HZ1 LYS 14 HZ1 LYS 14 18.195 -10.788 2.268 97 HZ2 LYS 14 HZ2 LYS 14 16.765 -11.508 1.729 98 HZ3 LYS 14 HZ3 LYS 14 17.080 -11.397 3.387 99 H GLY 15 H GLY 15 12.851 -8.245 7.352 100 HA2 GLY 15 HA2 GLY 15 12.256 -6.998 9.189 101 HA3 GLY 15 HA3 GLY 15 13.774 -6.131 9.027 102 H GLY 16 H GLY 16 11.075 -6.327 6.716 103 HA2 GLY 16 HA2 GLY 16 9.609 -4.776 5.878 104 HA3 GLY 16 HA3 GLY 16 9.891 -3.801 7.310 105 H ALA 17 H ALA 17 12.043 -4.838 4.628 106 HA ALA 17 HA ALA 17 13.275 -2.242 4.379 107 HB1 ALA 17 HB1 ALA 17 13.505 -4.676 2.585 108 HB2 ALA 17 HB2 ALA 17 14.522 -4.325 3.981 109 HB3 ALA 17 HB3 ALA 17 14.577 -3.272 2.566 110 H GLN 18 H GLN 18 13.462 -1.147 2.134 111 HA GLN 18 HA GLN 18 10.774 -0.606 1.137 112 HB2 GLN 18 HB2 GLN 18 12.350 1.254 1.563 113 HB3 GLN 18 HB3 GLN 18 13.448 0.624 0.339 114 HG2 GLN 18 HG2 GLN 18 11.739 1.037 -1.407 115 HG3 GLN 18 HG3 GLN 18 10.631 1.650 -0.180 116 HE21 GLN 18 HE21 GLN 18 11.728 3.000 -2.550 117 HE22 GLN 18 HE22 GLN 18 12.514 4.421 -1.964 118 H VAL 19 H VAL 19 9.888 -1.728 -0.510 119 HA VAL 19 HA VAL 19 11.556 -2.963 -2.629 120 HB VAL 19 HB VAL 19 8.569 -3.367 -2.089 121 HG11 VAL 19 HG11 VAL 19 9.164 -3.834 -4.430 122 HG12 VAL 19 HG12 VAL 19 8.773 -5.334 -3.590 123 HG13 VAL 19 HG13 VAL 19 10.459 -4.918 -3.908 124 HG21 VAL 19 HG21 VAL 19 10.888 -5.170 -1.296 125 HG22 VAL 19 HG22 VAL 19 9.176 -5.562 -1.126 126 HG23 VAL 19 HG23 VAL 19 9.871 -4.234 -0.195 127 H GLY 20 H GLY 20 11.915 -1.544 -4.267 128 HA2 GLY 20 HA2 GLY 20 11.454 -0.208 -6.099 129 HA3 GLY 20 HA3 GLY 20 9.747 -0.232 -5.689 130 H ASP 21 H ASP 21 8.967 1.739 -5.179 131 HA ASP 21 HA ASP 21 10.484 3.616 -3.514 132 HB2 ASP 21 HB2 ASP 21 11.156 4.114 -5.871 133 HB3 ASP 21 HB3 ASP 21 9.466 4.365 -6.295 134 H ILE 22 H ILE 22 9.133 5.531 -2.879 135 HA ILE 22 HA ILE 22 6.588 4.603 -1.881 136 HB ILE 22 HB ILE 22 7.913 7.338 -1.532 137 HG12 ILE 22 HG12 ILE 22 8.269 6.416 0.893 138 HG13 ILE 22 HG13 ILE 22 7.952 4.828 0.207 139 HG21 ILE 22 HG21 ILE 22 6.329 7.677 0.357 140 HG22 ILE 22 HG22 ILE 22 5.514 6.170 -0.072 141 HG23 ILE 22 HG23 ILE 22 5.496 7.534 -1.193 142 HD11 ILE 22 HD11 ILE 22 10.207 6.692 -0.531 143 HD12 ILE 22 HD12 ILE 22 9.899 5.119 -1.273 144 HD13 ILE 22 HD13 ILE 22 10.314 5.222 0.436 145 H VAL 23 H VAL 23 4.588 5.122 -2.553 146 HA VAL 23 HA VAL 23 4.223 6.732 -5.010 147 HB VAL 23 HB VAL 23 2.458 4.526 -3.836 148 HG11 VAL 23 HG11 VAL 23 2.225 5.944 -6.517 149 HG12 VAL 23 HG12 VAL 23 1.118 6.101 -5.150 150 HG13 VAL 23 HG13 VAL 23 1.253 4.563 -6.002 151 HG21 VAL 23 HG21 VAL 23 3.259 3.093 -5.686 152 HG22 VAL 23 HG22 VAL 23 4.588 3.596 -4.639 153 HG23 VAL 23 HG23 VAL 23 4.358 4.374 -6.207 154 H THR 24 H THR 24 3.475 8.777 -4.489 155 HA THR 24 HA THR 24 1.476 9.108 -2.324 156 HB THR 24 HB THR 24 1.927 11.593 -2.563 157 HG1 THR 24 HG1 THR 24 2.828 11.747 -4.582 158 HG21 THR 24 HG21 THR 24 4.335 9.879 -1.853 159 HG22 THR 24 HG22 THR 24 3.018 10.328 -0.764 160 HG23 THR 24 HG23 THR 24 4.103 11.571 -1.391 161 H VAL 25 H VAL 25 -0.592 9.522 -2.803 162 HA VAL 25 HA VAL 25 -1.343 10.580 -5.483 163 HB VAL 25 HB VAL 25 -3.646 9.612 -5.025 164 HG11 VAL 25 HG11 VAL 25 -1.364 7.593 -5.061 165 HG12 VAL 25 HG12 VAL 25 -2.067 8.394 -6.469 166 HG13 VAL 25 HG13 VAL 25 -3.035 7.256 -5.530 167 HG21 VAL 25 HG21 VAL 25 -3.910 7.882 -3.265 168 HG22 VAL 25 HG22 VAL 25 -3.520 9.451 -2.558 169 HG23 VAL 25 HG23 VAL 25 -2.270 8.213 -2.691 170 H THR 26 H THR 26 -2.686 12.431 -5.564 171 HA THR 26 HA THR 26 -2.700 14.028 -3.062 172 HB THR 26 HB THR 26 -2.649 15.034 -5.946 173 HG1 THR 26 HG1 THR 26 -0.466 15.633 -4.436 174 HG21 THR 26 HG21 THR 26 -2.112 17.243 -4.952 175 HG22 THR 26 HG22 THR 26 -2.324 16.567 -3.336 176 HG23 THR 26 HG23 THR 26 -3.704 16.679 -4.430 177 H GLY 27 H GLY 27 -4.500 15.097 -2.376 178 HA2 GLY 27 HA2 GLY 27 -6.806 15.716 -3.912 179 HA3 GLY 27 HA3 GLY 27 -7.099 14.274 -2.941 180 H LYS 28 H LYS 28 -8.428 15.001 -1.308 181 HA LYS 28 HA LYS 28 -7.303 16.951 0.600 182 HB2 LYS 28 HB2 LYS 28 -8.828 18.251 -0.884 183 HB3 LYS 28 HB3 LYS 28 -10.144 17.148 -0.506 184 HG2 LYS 28 HG2 LYS 28 -10.100 17.887 1.850 185 HG3 LYS 28 HG3 LYS 28 -8.737 18.950 1.501 186 HD2 LYS 28 HD2 LYS 28 -10.842 20.212 1.610 187 HD3 LYS 28 HD3 LYS 28 -10.138 20.295 -0.007 188 HE2 LYS 28 HE2 LYS 28 -11.738 18.573 -0.785 189 HE3 LYS 28 HE3 LYS 28 -12.422 18.472 0.840 190 HZ1 LYS 28 HZ1 LYS 28 -13.128 20.759 0.663 191 HZ2 LYS 28 HZ2 LYS 28 -13.741 19.864 -0.631 192 HZ3 LYS 28 HZ3 LYS 28 -12.430 20.900 -0.874 193 H THR 29 H THR 29 -8.240 16.770 2.744 194 HA THR 29 HA THR 29 -8.450 14.242 3.804 195 HB THR 29 HB THR 29 -9.402 15.303 5.875 196 HG1 THR 29 HG1 THR 29 -10.689 16.935 5.280 197 HG21 THR 29 HG21 THR 29 -7.125 16.877 4.600 198 HG22 THR 29 HG22 THR 29 -6.951 15.367 5.500 199 HG23 THR 29 HG23 THR 29 -7.508 16.826 6.321 200 H ASP 30 H ASP 30 -11.096 16.103 2.470 201 HA ASP 30 HA ASP 30 -13.256 14.601 3.661 202 HB2 ASP 30 HB2 ASP 30 -13.424 17.017 3.152 203 HB3 ASP 30 HB3 ASP 30 -13.207 16.687 1.438 204 H ASP 31 H ASP 31 -11.256 14.138 0.901 205 HA ASP 31 HA ASP 31 -13.285 12.629 -0.622 206 HB2 ASP 31 HB2 ASP 31 -12.128 14.534 -1.742 207 HB3 ASP 31 HB3 ASP 31 -10.584 13.717 -1.529 208 H SER 32 H SER 32 -12.680 10.637 -1.669 209 HA SER 32 HA SER 32 -10.500 9.066 -0.405 210 HB2 SER 32 HB2 SER 32 -13.253 8.006 -1.207 211 HB3 SER 32 HB3 SER 32 -11.955 7.079 -0.448 212 HG SER 32 HG SER 32 -12.345 8.046 1.442 213 H THR 33 H THR 33 -9.553 7.446 -1.751 214 HA THR 33 HA THR 33 -10.274 7.326 -4.616 215 HB THR 33 HB THR 33 -8.382 8.948 -4.502 216 HG1 THR 33 HG1 THR 33 -8.213 7.936 -6.384 217 HG21 THR 33 HG21 THR 33 -6.121 8.221 -3.831 218 HG22 THR 33 HG22 THR 33 -6.753 6.646 -3.348 219 HG23 THR 33 HG23 THR 33 -7.238 8.097 -2.467 220 H THR 34 H THR 34 -9.320 5.404 -5.726 221 HA THR 34 HA THR 34 -8.804 3.143 -3.861 222 HB THR 34 HB THR 34 -10.956 2.822 -4.965 223 HG1 THR 34 HG1 THR 34 -9.945 0.904 -4.662 224 HG21 THR 34 HG21 THR 34 -9.459 2.957 -7.610 225 HG22 THR 34 HG22 THR 34 -10.610 4.158 -7.018 226 HG23 THR 34 HG23 THR 34 -11.157 2.527 -7.407 227 H TYR 35 H TYR 35 -7.216 1.670 -4.348 228 HA TYR 35 HA TYR 35 -5.418 2.070 -6.647 229 HB2 TYR 35 HB2 TYR 35 -4.502 3.518 -4.869 230 HB3 TYR 35 HB3 TYR 35 -4.545 2.187 -3.724 231 HD1 TYR 35 HD2 TYR 35 -2.935 3.251 -6.945 232 HD2 TYR 35 HD1 TYR 35 -2.595 0.822 -3.434 233 HE1 TYR 35 HE2 TYR 35 -0.624 2.681 -7.555 234 HE2 TYR 35 HE1 TYR 35 -0.284 0.259 -4.049 235 HH TYR 35 HH TYR 35 1.126 0.181 -6.059 236 H THR 36 H THR 36 -4.461 0.173 -7.339 237 HA THR 36 HA THR 36 -5.200 -2.331 -5.953 238 HB THR 36 HB THR 36 -4.261 -1.912 -8.827 239 HG1 THR 36 HG1 THR 36 -6.695 -2.926 -8.729 240 HG21 THR 36 HG21 THR 36 -5.261 -4.467 -7.492 241 HG22 THR 36 HG22 THR 36 -3.605 -4.169 -8.027 242 HG23 THR 36 HG23 THR 36 -4.909 -4.275 -9.211 243 H VAL 37 H VAL 37 -3.722 -3.766 -5.254 244 HA VAL 37 HA VAL 37 -1.016 -2.971 -4.742 245 HB VAL 37 HB VAL 37 -2.447 -5.618 -4.199 246 HG11 VAL 37 HG11 VAL 37 0.183 -4.602 -3.061 247 HG12 VAL 37 HG12 VAL 37 -0.015 -5.945 -4.189 248 HG13 VAL 37 HG13 VAL 37 -0.655 -6.070 -2.550 249 HG21 VAL 37 HG21 VAL 37 -2.714 -4.811 -1.876 250 HG22 VAL 37 HG22 VAL 37 -3.535 -3.750 -3.023 251 HG23 VAL 37 HG23 VAL 37 -1.988 -3.264 -2.324 252 H THR 38 H THR 38 0.798 -3.545 -5.863 253 HA THR 38 HA THR 38 0.615 -5.425 -8.150 254 HB THR 38 HB THR 38 2.645 -4.224 -9.036 255 HG1 THR 38 HG1 THR 38 3.469 -3.361 -7.092 256 HG21 THR 38 HG21 THR 38 0.266 -2.414 -8.470 257 HG22 THR 38 HG22 THR 38 0.415 -3.535 -9.825 258 HG23 THR 38 HG23 THR 38 1.492 -2.142 -9.715 259 H ILE 39 H ILE 39 1.452 -7.388 -7.672 260 HA ILE 39 HA ILE 39 3.323 -7.756 -5.444 261 HB ILE 39 HB ILE 39 1.918 -9.870 -7.145 262 HG12 ILE 39 HG12 ILE 39 0.266 -8.486 -5.931 263 HG13 ILE 39 HG13 ILE 39 0.328 -10.102 -5.241 264 HG21 ILE 39 HG21 ILE 39 3.920 -10.773 -6.049 265 HG22 ILE 39 HG22 ILE 39 2.471 -11.429 -5.288 266 HG23 ILE 39 HG23 ILE 39 3.381 -10.145 -4.490 267 HD11 ILE 39 HD11 ILE 39 1.664 -9.257 -3.379 268 HD12 ILE 39 HD12 ILE 39 0.133 -8.398 -3.529 269 HD13 ILE 39 HD13 ILE 39 1.624 -7.637 -4.081 270 HA PRO 40 HA PRO 40 6.730 -7.881 -8.538 271 HB2 PRO 40 HB2 PRO 40 8.487 -8.213 -6.152 272 HB3 PRO 40 HB3 PRO 40 8.470 -6.927 -7.364 273 HG2 PRO 40 HG2 PRO 40 7.602 -6.488 -4.848 274 HG3 PRO 40 HG3 PRO 40 6.821 -5.704 -6.239 275 HD2 PRO 40 HD2 PRO 40 5.932 -8.160 -4.705 276 HD3 PRO 40 HD3 PRO 40 4.976 -6.749 -5.219 277 H ASP 41 H ASP 41 8.656 -9.287 -8.977 278 HA ASP 41 HA ASP 41 8.031 -12.014 -9.181 279 HB2 ASP 41 HB2 ASP 41 10.732 -10.623 -9.448 280 HB3 ASP 41 HB3 ASP 41 10.411 -12.281 -9.958 281 H GLY 42 H GLY 42 8.084 -13.589 -7.695 282 HA2 GLY 42 HA2 GLY 42 8.957 -15.050 -6.127 283 HA3 GLY 42 HA3 GLY 42 10.346 -13.997 -5.922 284 H TYR 43 H TYR 43 7.512 -12.171 -5.554 285 HA TYR 43 HA TYR 43 7.586 -12.408 -2.605 286 HB2 TYR 43 HB2 TYR 43 6.631 -10.157 -4.424 287 HB3 TYR 43 HB3 TYR 43 6.307 -10.184 -2.695 288 HD1 TYR 43 HD2 TYR 43 9.191 -10.341 -5.102 289 HD2 TYR 43 HD1 TYR 43 7.841 -9.119 -1.235 290 HE1 TYR 43 HE2 TYR 43 11.330 -9.210 -4.709 291 HE2 TYR 43 HE1 TYR 43 9.984 -7.983 -0.842 292 HH TYR 43 HH TYR 43 12.251 -7.985 -1.628 293 H GLU 44 H GLU 44 5.684 -12.611 -1.426 294 HA GLU 44 HA GLU 44 3.165 -13.243 -2.832 295 HB2 GLU 44 HB2 GLU 44 4.309 -14.472 -0.289 296 HB3 GLU 44 HB3 GLU 44 2.663 -14.744 -0.852 297 HG2 GLU 44 HG2 GLU 44 5.206 -15.549 -2.308 298 HG3 GLU 44 HG3 GLU 44 4.150 -16.626 -1.393 299 H TYR 45 H TYR 45 1.325 -12.249 -2.061 300 HA TYR 45 HA TYR 45 1.509 -9.893 -0.487 301 HB2 TYR 45 HB2 TYR 45 -0.154 -10.212 -2.285 302 HB3 TYR 45 HB3 TYR 45 -0.918 -11.507 -1.382 303 HD1 TYR 45 HD2 TYR 45 -0.083 -7.837 -1.064 304 HD2 TYR 45 HD1 TYR 45 -2.814 -10.982 -0.058 305 HE1 TYR 45 HE2 TYR 45 -1.601 -6.198 -0.038 306 HE2 TYR 45 HE1 TYR 45 -4.325 -9.340 0.963 307 HH TYR 45 HH TYR 45 -4.283 -7.137 1.897 308 H VAL 46 H VAL 46 1.603 -9.731 1.706 309 HA VAL 46 HA VAL 46 0.622 -11.880 3.457 310 HB VAL 46 HB VAL 46 2.097 -9.305 4.183 311 HG11 VAL 46 HG11 VAL 46 2.447 -10.325 6.410 312 HG12 VAL 46 HG12 VAL 46 1.463 -11.711 5.941 313 HG13 VAL 46 HG13 VAL 46 0.731 -10.109 6.071 314 HG21 VAL 46 HG21 VAL 46 4.082 -10.726 4.538 315 HG22 VAL 46 HG22 VAL 46 3.527 -10.813 2.865 316 HG23 VAL 46 HG23 VAL 46 3.181 -12.139 3.978 317 H GLY 47 H GLY 47 0.219 -8.332 3.055 318 HA2 GLY 47 HA2 GLY 47 -2.524 -8.165 3.201 319 HA3 GLY 47 HA3 GLY 47 -2.004 -8.156 4.881 320 H THR 48 H THR 48 -3.388 -6.045 3.533 321 HA THR 48 HA THR 48 -1.421 -3.877 3.165 322 HB THR 48 HB THR 48 -4.432 -3.967 2.741 323 HG1 THR 48 HG1 THR 48 -3.668 -4.722 0.912 324 HG21 THR 48 HG21 THR 48 -3.861 -1.690 3.521 325 HG22 THR 48 HG22 THR 48 -4.273 -1.683 1.806 326 HG23 THR 48 HG23 THR 48 -2.584 -1.590 2.304 327 H ASP 49 H ASP 49 -1.045 -2.311 4.616 328 HA ASP 49 HA ASP 49 -2.440 -2.314 7.239 329 HB2 ASP 49 HB2 ASP 49 0.089 -2.948 6.986 330 HB3 ASP 49 HB3 ASP 49 0.362 -1.241 6.700 331 H GLY 50 H GLY 50 -2.889 -0.201 8.187 332 HA2 GLY 50 HA2 GLY 50 -3.078 2.118 8.283 333 HA3 GLY 50 HA3 GLY 50 -2.287 2.253 6.726 334 H GLY 51 H GLY 51 -3.671 1.526 4.808 335 HA2 GLY 51 HA2 GLY 51 -6.150 3.010 4.826 336 HA3 GLY 51 HA3 GLY 51 -5.436 2.166 3.461 337 H VAL 52 H VAL 52 -8.002 1.922 3.420 338 HA VAL 52 HA VAL 52 -8.993 -0.353 5.002 339 HB VAL 52 HB VAL 52 -10.470 1.260 2.868 340 HG11 VAL 52 HG11 VAL 52 -11.555 -0.643 4.985 341 HG12 VAL 52 HG12 VAL 52 -11.493 -0.949 3.249 342 HG13 VAL 52 HG13 VAL 52 -12.536 0.326 3.880 343 HG21 VAL 52 HG21 VAL 52 -10.521 1.625 5.887 344 HG22 VAL 52 HG22 VAL 52 -11.553 2.478 4.736 345 HG23 VAL 52 HG23 VAL 52 -9.807 2.738 4.718 346 H VAL 53 H VAL 53 -8.494 -2.380 4.255 347 HA VAL 53 HA VAL 53 -8.039 -2.838 1.374 348 HB VAL 53 HB VAL 53 -6.281 -3.602 2.904 349 HG11 VAL 53 HG11 VAL 53 -6.594 -5.464 4.486 350 HG12 VAL 53 HG12 VAL 53 -8.326 -5.473 4.136 351 HG13 VAL 53 HG13 VAL 53 -7.592 -4.071 4.917 352 HG21 VAL 53 HG21 VAL 53 -6.003 -5.912 2.084 353 HG22 VAL 53 HG22 VAL 53 -6.576 -4.843 0.803 354 HG23 VAL 53 HG23 VAL 53 -7.701 -5.951 1.595 355 H SER 54 H SER 54 -9.248 -4.236 0.112 356 HA SER 54 HA SER 54 -11.915 -4.964 0.999 357 HB2 SER 54 HB2 SER 54 -10.534 -5.470 -1.670 358 HB3 SER 54 HB3 SER 54 -12.247 -5.735 -1.346 359 HG SER 54 HG SER 54 -11.054 -3.505 -2.118 360 H SER 55 H SER 55 -12.742 -7.216 0.149 361 HA SER 55 HA SER 55 -11.740 -9.165 1.920 362 HB2 SER 55 HB2 SER 55 -14.097 -9.114 1.217 363 HB3 SER 55 HB3 SER 55 -13.638 -9.524 -0.436 364 HG SER 55 HG SER 55 -14.285 -11.384 0.612 365 H ASP 56 H ASP 56 -11.227 -8.820 -1.604 366 HA ASP 56 HA ASP 56 -9.781 -11.343 -1.836 367 HB2 ASP 56 HB2 ASP 56 -10.038 -9.168 -3.949 368 HB3 ASP 56 HB3 ASP 56 -9.648 -10.866 -4.206 369 H GLY 57 H GLY 57 -8.921 -8.182 -0.899 370 HA2 GLY 57 HA2 GLY 57 -6.875 -7.610 0.058 371 HA3 GLY 57 HA3 GLY 57 -6.095 -8.933 -0.781 372 H LYS 58 H LYS 58 -7.087 -8.072 -3.433 373 HA LYS 58 HA LYS 58 -4.776 -6.595 -4.161 374 HB2 LYS 58 HB2 LYS 58 -7.242 -7.233 -5.825 375 HB3 LYS 58 HB3 LYS 58 -5.696 -6.675 -6.463 376 HG2 LYS 58 HG2 LYS 58 -4.616 -8.746 -5.600 377 HG3 LYS 58 HG3 LYS 58 -6.186 -9.308 -5.020 378 HD2 LYS 58 HD2 LYS 58 -5.648 -10.377 -7.156 379 HD3 LYS 58 HD3 LYS 58 -7.039 -9.309 -7.361 380 HE2 LYS 58 HE2 LYS 58 -5.519 -7.571 -8.311 381 HE3 LYS 58 HE3 LYS 58 -4.164 -8.691 -8.149 382 HZ1 LYS 58 HZ1 LYS 58 -6.580 -9.111 -9.828 383 HZ2 LYS 58 HZ2 LYS 58 -5.287 -10.191 -9.680 384 HZ3 LYS 58 HZ3 LYS 58 -5.045 -8.676 -10.388 385 H THR 59 H THR 59 -8.199 -5.570 -3.904 386 HA THR 59 HA THR 59 -7.520 -2.859 -4.847 387 HB THR 59 HB THR 59 -9.946 -2.437 -4.971 388 HG1 THR 59 HG1 THR 59 -11.435 -3.992 -4.385 389 HG21 THR 59 HG21 THR 59 -10.529 -4.032 -6.759 390 HG22 THR 59 HG22 THR 59 -9.206 -5.089 -6.262 391 HG23 THR 59 HG23 THR 59 -8.854 -3.492 -6.926 392 H VAL 60 H VAL 60 -7.358 -1.149 -3.498 393 HA VAL 60 HA VAL 60 -8.145 -1.407 -0.641 394 HB VAL 60 HB VAL 60 -5.562 -0.163 -1.715 395 HG11 VAL 60 HG11 VAL 60 -6.470 -0.483 1.175 396 HG12 VAL 60 HG12 VAL 60 -6.352 1.040 0.288 397 HG13 VAL 60 HG13 VAL 60 -4.893 0.116 0.649 398 HG21 VAL 60 HG21 VAL 60 -4.378 -2.007 -0.577 399 HG22 VAL 60 HG22 VAL 60 -5.472 -2.625 -1.816 400 HG23 VAL 60 HG23 VAL 60 -5.924 -2.725 -0.111 401 H THR 61 H THR 61 -9.511 0.196 -0.030 402 HA THR 61 HA THR 61 -9.796 2.704 -1.463 403 HB THR 61 HB THR 61 -11.097 1.812 1.158 404 HG1 THR 61 HG1 THR 61 -11.611 0.505 -0.719 405 HG21 THR 61 HG21 THR 61 -11.869 4.072 -0.737 406 HG22 THR 61 HG22 THR 61 -11.189 4.271 0.880 407 HG23 THR 61 HG23 THR 61 -12.792 3.561 0.676 408 H ILE 62 H ILE 62 -8.182 4.126 -1.183 409 HA ILE 62 HA ILE 62 -6.954 4.620 1.464 410 HB ILE 62 HB ILE 62 -6.008 5.494 -1.310 411 HG12 ILE 62 HG12 ILE 62 -5.022 3.211 0.465 412 HG13 ILE 62 HG13 ILE 62 -5.927 3.029 -1.032 413 HG21 ILE 62 HG21 ILE 62 -3.875 6.088 -0.189 414 HG22 ILE 62 HG22 ILE 62 -4.577 5.661 1.374 415 HG23 ILE 62 HG23 ILE 62 -5.224 7.023 0.458 416 HD11 ILE 62 HD11 ILE 62 -3.130 4.109 -0.741 417 HD12 ILE 62 HD12 ILE 62 -4.035 4.022 -2.256 418 HD13 ILE 62 HD13 ILE 62 -3.612 2.544 -1.395 419 H THR 63 H THR 63 -7.732 6.353 2.559 420 HA THR 63 HA THR 63 -9.123 8.538 1.087 421 HB THR 63 HB THR 63 -9.554 7.681 3.993 422 HG1 THR 63 HG1 THR 63 -10.641 6.168 2.930 423 HG21 THR 63 HG21 THR 63 -11.512 9.206 3.932 424 HG22 THR 63 HG22 THR 63 -11.089 9.697 2.290 425 HG23 THR 63 HG23 THR 63 -10.018 10.104 3.633 426 H PHE 64 H PHE 64 -8.048 10.428 1.077 427 HA PHE 64 HA PHE 64 -5.569 10.914 2.285 428 HB2 PHE 64 HB2 PHE 64 -7.510 13.128 1.496 429 HB3 PHE 64 HB3 PHE 64 -5.750 13.185 1.480 430 HD1 PHE 64 HD2 PHE 64 -4.505 11.724 -0.239 431 HD2 PHE 64 HD1 PHE 64 -8.722 12.434 -0.439 432 HE1 PHE 64 HE2 PHE 64 -4.532 11.012 -2.588 433 HE2 PHE 64 HE1 PHE 64 -8.730 11.717 -2.786 434 HZ PHE 64 HZ PHE 64 -6.637 11.007 -3.864 435 H ALA 65 H ALA 65 -4.980 11.554 4.344 436 HA ALA 65 HA ALA 65 -7.142 12.359 6.235 437 HB1 ALA 65 HB1 ALA 65 -6.168 10.883 7.928 438 HB2 ALA 65 HB2 ALA 65 -4.911 10.374 6.795 439 HB3 ALA 65 HB3 ALA 65 -6.599 9.965 6.483 440 H ALA 66 H ALA 66 -6.619 13.692 7.950 441 HA ALA 66 HA ALA 66 -4.230 15.301 7.915 442 HB1 ALA 66 HB1 ALA 66 -6.387 15.055 10.045 443 HB2 ALA 66 HB2 ALA 66 -6.382 16.203 8.706 444 HB3 ALA 66 HB3 ALA 66 -5.154 16.317 9.969 445 H ASP 67 H ASP 67 -5.325 12.424 9.637 446 HA ASP 67 HA ASP 67 -3.034 12.221 11.406 447 HB2 ASP 67 HB2 ASP 67 -5.314 10.323 10.731 448 HB3 ASP 67 HB3 ASP 67 -4.017 9.893 11.836 449 H ASP 68 H ASP 68 -1.134 11.938 10.363 450 HA ASP 68 HA ASP 68 0.633 10.849 9.462 451 HB2 ASP 68 HB2 ASP 68 -1.181 8.407 9.574 452 HB3 ASP 68 HB3 ASP 68 0.575 8.370 9.427 453 H SER 69 H SER 69 -1.533 11.954 7.643 454 HA SER 69 HA SER 69 -2.145 12.160 5.480 455 HB2 SER 69 HB2 SER 69 0.506 10.752 4.916 456 HB3 SER 69 HB3 SER 69 -0.456 11.619 3.717 457 HG SER 69 HG SER 69 0.365 13.410 4.416 458 H ASP 70 H ASP 70 -2.766 9.496 6.943 459 HA ASP 70 HA ASP 70 -3.471 7.377 6.674 460 HB2 ASP 70 HB2 ASP 70 -5.160 8.651 5.205 461 HB3 ASP 70 HB3 ASP 70 -4.248 8.078 3.814 462 H ASN 71 H ASN 71 -1.090 7.037 6.805 463 HA ASN 71 HA ASN 71 0.426 6.281 4.515 464 HB2 ASN 71 HB2 ASN 71 2.092 5.384 6.168 465 HB3 ASN 71 HB3 ASN 71 1.635 7.057 6.445 466 HD21 ASN 71 HD21 ASN 71 2.764 4.995 8.251 467 HD22 ASN 71 HD22 ASN 71 1.697 4.950 9.606 468 H VAL 72 H VAL 72 -0.171 4.628 3.286 469 HA VAL 72 HA VAL 72 -1.296 2.145 4.382 470 HB VAL 72 HB VAL 72 -1.013 3.086 1.483 471 HG11 VAL 72 HG11 VAL 72 -2.603 0.745 2.611 472 HG12 VAL 72 HG12 VAL 72 -1.151 0.631 1.614 473 HG13 VAL 72 HG13 VAL 72 -2.637 1.292 0.931 474 HG21 VAL 72 HG21 VAL 72 -2.522 4.562 2.735 475 HG22 VAL 72 HG22 VAL 72 -3.444 3.171 3.308 476 HG23 VAL 72 HG23 VAL 72 -3.443 3.581 1.593 477 H VAL 73 H VAL 73 0.081 0.489 4.761 478 HA VAL 73 HA VAL 73 2.688 0.343 3.342 479 HB VAL 73 HB VAL 73 2.010 -0.648 6.156 480 HG11 VAL 73 HG11 VAL 73 4.438 -1.095 6.383 481 HG12 VAL 73 HG12 VAL 73 4.684 -0.637 4.698 482 HG13 VAL 73 HG13 VAL 73 3.724 -2.065 5.094 483 HG21 VAL 73 HG21 VAL 73 3.476 1.167 6.975 484 HG22 VAL 73 HG22 VAL 73 2.108 1.819 6.071 485 HG23 VAL 73 HG23 VAL 73 3.704 1.742 5.320 486 H ILE 74 H ILE 74 2.585 -1.227 1.825 487 HA ILE 74 HA ILE 74 0.776 -3.509 2.075 488 HB ILE 74 HB ILE 74 2.766 -2.935 -0.170 489 HG12 ILE 74 HG12 ILE 74 1.229 -1.003 0.025 490 HG13 ILE 74 HG13 ILE 74 0.908 -1.906 -1.447 491 HG21 ILE 74 HG21 ILE 74 0.289 -4.702 -0.095 492 HG22 ILE 74 HG22 ILE 74 1.965 -5.256 -0.107 493 HG23 ILE 74 HG23 ILE 74 1.307 -4.418 -1.511 494 HD11 ILE 74 HD11 ILE 74 -1.140 -1.162 -0.418 495 HD12 ILE 74 HD12 ILE 74 -0.727 -1.979 1.088 496 HD13 ILE 74 HD13 ILE 74 -1.055 -2.922 -0.370 497 H HIS 75 H HIS 75 1.478 -5.243 3.244 498 HA HIS 75 HA HIS 75 4.322 -5.688 3.728 499 HB2 HIS 75 HB2 HIS 75 1.818 -7.000 4.866 500 HB3 HIS 75 HB3 HIS 75 3.453 -7.518 5.276 501 HD1 HIS 75 HD1 HIS 75 4.870 -5.949 6.763 502 HD2 HIS 75 HD2 HIS 75 1.023 -4.548 6.048 503 HE1 HIS 75 HE1 HIS 75 4.517 -4.080 8.401 504 HE2 HIS 75 HE2 HIS 75 2.131 -3.379 8.073 505 H LEU 76 H LEU 76 5.527 -7.208 2.750 506 HA LEU 76 HA LEU 76 4.234 -9.312 1.108 507 HB2 LEU 76 HB2 LEU 76 6.594 -7.571 0.270 508 HB3 LEU 76 HB3 LEU 76 5.969 -8.935 -0.646 509 HG LEU 76 HG LEU 76 4.418 -6.375 -0.076 510 HD11 LEU 76 HD11 LEU 76 4.758 -5.815 -2.434 511 HD12 LEU 76 HD12 LEU 76 5.795 -7.230 -2.637 512 HD13 LEU 76 HD13 LEU 76 6.289 -5.915 -1.566 513 HD21 LEU 76 HD21 LEU 76 2.792 -7.207 -1.710 514 HD22 LEU 76 HD22 LEU 76 2.946 -8.324 -0.355 515 HD23 LEU 76 HD23 LEU 76 3.718 -8.701 -1.900 516 H LYS 77 H LYS 77 5.172 -11.273 1.259 517 HA LYS 77 HA LYS 77 7.771 -11.613 2.645 518 HB2 LYS 77 HB2 LYS 77 7.050 -13.928 3.143 519 HB3 LYS 77 HB3 LYS 77 5.924 -12.746 3.806 520 HG2 LYS 77 HG2 LYS 77 4.417 -13.158 1.854 521 HG3 LYS 77 HG3 LYS 77 5.522 -14.424 1.305 522 HD2 LYS 77 HD2 LYS 77 5.117 -15.695 3.381 523 HD3 LYS 77 HD3 LYS 77 4.069 -14.408 3.986 524 HE2 LYS 77 HE2 LYS 77 2.526 -14.818 2.059 525 HE3 LYS 77 HE3 LYS 77 3.552 -16.163 1.556 526 HZ1 LYS 77 HZ1 LYS 77 2.101 -15.963 4.148 527 HZ2 LYS 77 HZ2 LYS 77 3.076 -17.256 3.665 528 HZ3 LYS 77 HZ3 LYS 77 1.651 -16.916 2.827 529 H HIS 78 H HIS 78 9.009 -13.635 1.805 530 HA HIS 78 HA HIS 78 8.981 -13.677 -1.142 531 HB2 HIS 78 HB2 HIS 78 10.958 -14.854 0.852 532 HB3 HIS 78 HB3 HIS 78 11.114 -14.997 -0.899 533 HD1 HIS 78 HD1 HIS 78 13.259 -13.585 0.858 534 HD2 HIS 78 HD2 HIS 78 10.203 -11.610 -1.153 535 HE1 HIS 78 HE1 HIS 78 14.077 -11.244 0.527 536 HE2 HIS 78 HE2 HIS 78 12.114 -10.020 -0.442 537 H GLY 79 H GLY 79 8.058 -15.276 -2.288 538 HA2 GLY 79 HA2 GLY 79 7.055 -17.729 -1.056 539 HA3 GLY 79 HA3 GLY 79 6.931 -17.263 -2.751 540 H LEU 80 H LEU 80 8.965 -17.325 -4.048 541 HA LEU 80 HA LEU 80 10.861 -19.387 -3.488 542 HB2 LEU 80 HB2 LEU 80 10.112 -18.240 -5.753 543 HB3 LEU 80 HB3 LEU 80 11.341 -17.051 -5.377 544 HG LEU 80 HG LEU 80 11.902 -20.034 -5.739 545 HD11 LEU 80 HD11 LEU 80 12.797 -19.486 -7.944 546 HD12 LEU 80 HD12 LEU 80 12.289 -17.805 -7.759 547 HD13 LEU 80 HD13 LEU 80 11.082 -19.093 -7.840 548 HD21 LEU 80 HD21 LEU 80 13.836 -17.693 -5.639 549 HD22 LEU 80 HD22 LEU 80 14.256 -19.379 -5.960 550 HD23 LEU 80 HD23 LEU 80 13.617 -18.920 -4.386 551 H GLU 81 H GLU 81 12.476 -19.245 -1.983 552 HA GLU 81 HA GLU 81 12.862 -16.955 -0.351 553 HB2 GLU 81 HB2 GLU 81 14.636 -18.290 0.779 554 HB3 GLU 81 HB3 GLU 81 13.141 -19.192 0.562 555 HG2 GLU 81 HG2 GLU 81 14.101 -20.420 -1.315 556 HG3 GLU 81 HG3 GLU 81 15.581 -19.465 -1.222 557 H HIS 82 H HIS 82 14.670 -18.178 -3.096 558 HA HIS 82 HA HIS 82 16.299 -17.406 -4.431 559 HB2 HIS 82 HB2 HIS 82 14.954 -15.315 -4.492 560 HB3 HIS 82 HB3 HIS 82 15.843 -14.697 -3.107 561 HD1 HIS 82 HD1 HIS 82 16.185 -15.372 -6.782 562 HD2 HIS 82 HD2 HIS 82 18.406 -13.665 -3.708 563 HE1 HIS 82 HE1 HIS 82 18.081 -14.178 -7.899 564 HE2 HIS 82 HE2 HIS 82 19.529 -13.369 -6.016 565 H HIS 83 H HIS 83 18.191 -18.358 -3.996 566 HA HIS 83 HA HIS 83 19.541 -18.189 -1.480 567 HB2 HIS 83 HB2 HIS 83 19.562 -20.232 -2.927 568 HB3 HIS 83 HB3 HIS 83 20.538 -19.373 -4.109 569 HD1 HIS 83 HD1 HIS 83 23.010 -18.702 -3.283 570 HD2 HIS 83 HD2 HIS 83 20.995 -21.444 -0.900 571 HE1 HIS 83 HE1 HIS 83 24.768 -19.751 -1.829 572 HE2 HIS 83 HE2 HIS 83 23.550 -21.539 -0.556 573 H HIS 84 H HIS 84 20.230 -16.129 -1.030 574 HA HIS 84 HA HIS 84 21.735 -14.420 -2.764 575 HB2 HIS 84 HB2 HIS 84 20.361 -13.654 -0.796 576 HB3 HIS 84 HB3 HIS 84 21.523 -14.406 0.287 577 HD1 HIS 84 HD1 HIS 84 21.084 -11.468 -2.003 578 HD2 HIS 84 HD2 HIS 84 23.855 -12.886 0.747 579 HE1 HIS 84 HE1 HIS 84 22.650 -9.559 -1.582 580 HE2 HIS 84 HE2 HIS 84 24.235 -10.392 0.175 581 H HIS 85 H HIS 85 23.996 -14.093 -2.880 582 HA HIS 85 HA HIS 85 25.665 -16.346 -2.290 583 HB2 HIS 85 HB2 HIS 85 25.928 -14.773 -4.274 584 HB3 HIS 85 HB3 HIS 85 26.584 -13.573 -3.164 585 HD1 HIS 85 HD1 HIS 85 29.080 -13.568 -3.162 586 HD2 HIS 85 HD2 HIS 85 27.566 -17.331 -4.070 587 HE1 HIS 85 HE1 HIS 85 31.084 -15.013 -3.611 588 HE2 HIS 85 HE2 HIS 85 30.142 -17.236 -4.281 589 H HIS 86 H HIS 86 26.247 -16.815 -0.300 590 HA HIS 86 HA HIS 86 26.740 -16.842 1.866 591 HB2 HIS 86 HB2 HIS 86 28.739 -15.588 2.636 592 HB3 HIS 86 HB3 HIS 86 28.981 -16.381 1.093 593 HD1 HIS 86 HD1 HIS 86 29.939 -14.974 -0.714 594 HD2 HIS 86 HD2 HIS 86 28.376 -12.662 2.369 595 HE1 HIS 86 HE1 HIS 86 30.535 -12.600 -1.278 596 HE2 HIS 86 HE2 HIS 86 29.413 -11.217 0.483 597 H HIS 87 H HIS 87 27.136 -15.545 3.981 598 HA HIS 87 HA HIS 87 25.092 -13.412 4.286 599 HB2 HIS 87 HB2 HIS 87 25.565 -15.801 6.134 600 HB3 HIS 87 HB3 HIS 87 24.522 -14.435 6.523 601 HD1 HIS 87 HD1 HIS 87 22.137 -14.594 5.762 602 HD2 HIS 87 HD2 HIS 87 24.563 -17.402 3.887 603 HE1 HIS 87 HE1 HIS 87 20.581 -16.077 4.463 604 HE2 HIS 87 HE2 HIS 87 22.069 -17.744 3.315 Start of MODEL 16 1 H1 MET 1 H1 MET 1 -5.502 23.447 2.810 2 H2 MET 1 H2 MET 1 -4.107 24.152 3.443 3 H3 MET 1 H3 MET 1 -4.423 22.513 3.711 4 HA MET 1 HA MET 1 -3.935 23.730 1.055 5 HB2 MET 1 HB2 MET 1 -1.701 22.667 1.138 6 HB3 MET 1 HB3 MET 1 -1.902 23.815 2.453 7 HG2 MET 1 HG2 MET 1 -2.308 21.950 4.021 8 HG3 MET 1 HG3 MET 1 -2.124 20.802 2.695 9 HE1 MET 1 HE1 MET 1 -0.001 24.101 3.445 10 HE2 MET 1 HE2 MET 1 1.332 23.397 4.361 11 HE3 MET 1 HE3 MET 1 -0.296 23.396 5.037 12 H ASP 2 H ASP 2 -2.794 21.556 -0.177 13 HA ASP 2 HA ASP 2 -4.867 19.562 -0.423 14 HB2 ASP 2 HB2 ASP 2 -2.026 19.508 -1.535 15 HB3 ASP 2 HB3 ASP 2 -3.387 18.524 -2.079 16 H GLU 3 H GLU 3 -5.052 17.700 0.736 17 HA GLU 3 HA GLU 3 -2.944 16.900 2.625 18 HB2 GLU 3 HB2 GLU 3 -5.881 16.194 2.340 19 HB3 GLU 3 HB3 GLU 3 -4.820 15.202 3.330 20 HG2 GLU 3 HG2 GLU 3 -6.029 16.780 4.728 21 HG3 GLU 3 HG3 GLU 3 -4.300 17.144 4.757 22 H ASP 4 H ASP 4 -2.005 14.847 2.647 23 HA ASP 4 HA ASP 4 -2.103 13.334 0.093 24 HB2 ASP 4 HB2 ASP 4 0.250 13.578 2.024 25 HB3 ASP 4 HB3 ASP 4 0.258 12.802 0.441 26 H ALA 5 H ALA 5 -1.427 11.053 0.238 27 HA ALA 5 HA ALA 5 -1.405 9.704 2.816 28 HB1 ALA 5 HB1 ALA 5 -3.083 8.016 2.185 29 HB2 ALA 5 HB2 ALA 5 -3.400 8.877 0.675 30 HB3 ALA 5 HB3 ALA 5 -3.800 9.631 2.219 31 H THR 6 H THR 6 0.175 8.149 2.780 32 HA THR 6 HA THR 6 1.592 7.717 0.204 33 HB THR 6 HB THR 6 3.620 7.311 1.607 34 HG1 THR 6 HG1 THR 6 3.342 8.022 3.909 35 HG21 THR 6 HG21 THR 6 2.236 9.935 2.273 36 HG22 THR 6 HG22 THR 6 3.163 9.614 0.804 37 HG23 THR 6 HG23 THR 6 3.971 9.625 2.374 38 H ILE 7 H ILE 7 1.776 5.666 -0.613 39 HA ILE 7 HA ILE 7 1.125 3.327 1.088 40 HB ILE 7 HB ILE 7 0.988 3.497 -1.969 41 HG12 ILE 7 HG12 ILE 7 -1.552 3.026 -1.502 42 HG13 ILE 7 HG13 ILE 7 -1.223 3.587 0.131 43 HG21 ILE 7 HG21 ILE 7 -0.035 1.234 -1.862 44 HG22 ILE 7 HG22 ILE 7 0.251 1.189 -0.121 45 HG23 ILE 7 HG23 ILE 7 1.617 1.239 -1.240 46 HD11 ILE 7 HD11 ILE 7 -0.550 5.768 -0.791 47 HD12 ILE 7 HD12 ILE 7 -2.203 5.330 -1.220 48 HD13 ILE 7 HD13 ILE 7 -0.914 5.178 -2.415 49 H THR 8 H THR 8 3.036 2.531 1.854 50 HA THR 8 HA THR 8 5.453 2.450 0.142 51 HB THR 8 HB THR 8 5.238 2.100 3.177 52 HG1 THR 8 HG1 THR 8 4.927 4.217 2.951 53 HG21 THR 8 HG21 THR 8 7.249 0.986 2.249 54 HG22 THR 8 HG22 THR 8 7.700 2.416 3.180 55 HG23 THR 8 HG23 THR 8 7.701 2.478 1.415 56 H TYR 9 H TYR 9 5.879 0.497 -0.797 57 HA TYR 9 HA TYR 9 4.834 -2.025 0.251 58 HB2 TYR 9 HB2 TYR 9 6.650 -1.393 -2.122 59 HB3 TYR 9 HB3 TYR 9 6.091 -3.012 -1.719 60 HD1 TYR 9 HD2 TYR 9 4.887 0.390 -2.755 61 HD2 TYR 9 HD1 TYR 9 3.963 -3.786 -2.497 62 HE1 TYR 9 HE2 TYR 9 2.869 0.751 -4.104 63 HE2 TYR 9 HE1 TYR 9 1.953 -3.418 -3.855 64 HH TYR 9 HH TYR 9 0.401 -1.399 -4.313 65 H VAL 10 H VAL 10 5.988 -3.472 1.476 66 HA VAL 10 HA VAL 10 8.935 -3.332 1.674 67 HB VAL 10 HB VAL 10 8.864 -3.692 4.144 68 HG11 VAL 10 HG11 VAL 10 9.215 -1.403 3.335 69 HG12 VAL 10 HG12 VAL 10 8.327 -1.399 4.859 70 HG13 VAL 10 HG13 VAL 10 7.473 -1.114 3.339 71 HG21 VAL 10 HG21 VAL 10 6.793 -3.287 5.445 72 HG22 VAL 10 HG22 VAL 10 6.634 -4.687 4.382 73 HG23 VAL 10 HG23 VAL 10 5.876 -3.156 3.938 74 H ASP 11 H ASP 11 9.914 -5.408 2.452 75 HA ASP 11 HA ASP 11 8.046 -7.701 2.444 76 HB2 ASP 11 HB2 ASP 11 9.418 -9.031 1.099 77 HB3 ASP 11 HB3 ASP 11 9.549 -7.458 0.343 78 H ASP 12 H ASP 12 8.069 -8.935 4.155 79 HA ASP 12 HA ASP 12 9.443 -8.225 6.514 80 HB2 ASP 12 HB2 ASP 12 7.809 -10.728 5.963 81 HB3 ASP 12 HB3 ASP 12 8.168 -10.045 7.548 82 H ASP 13 H ASP 13 10.250 -10.673 4.090 83 HA ASP 13 HA ASP 13 12.015 -12.231 5.770 84 HB2 ASP 13 HB2 ASP 13 11.598 -12.134 2.762 85 HB3 ASP 13 HB3 ASP 13 12.832 -13.151 3.502 86 H LYS 14 H LYS 14 12.354 -9.160 4.432 87 HA LYS 14 HA LYS 14 15.284 -9.234 4.823 88 HB2 LYS 14 HB2 LYS 14 13.630 -7.857 2.689 89 HB3 LYS 14 HB3 LYS 14 15.192 -7.217 3.114 90 HG2 LYS 14 HG2 LYS 14 14.895 -10.102 2.246 91 HG3 LYS 14 HG3 LYS 14 14.971 -8.803 1.059 92 HD2 LYS 14 HD2 LYS 14 17.198 -9.653 1.249 93 HD3 LYS 14 HD3 LYS 14 17.198 -8.107 2.090 94 HE2 LYS 14 HE2 LYS 14 17.023 -9.348 4.254 95 HE3 LYS 14 HE3 LYS 14 17.114 -10.865 3.357 96 HZ1 LYS 14 HZ1 LYS 14 19.296 -10.137 2.524 97 HZ2 LYS 14 HZ2 LYS 14 19.256 -10.297 4.204 98 HZ3 LYS 14 HZ3 LYS 14 19.206 -8.761 3.507 99 H GLY 15 H GLY 15 13.030 -8.716 6.691 100 HA2 GLY 15 HA2 GLY 15 12.869 -7.492 8.622 101 HA3 GLY 15 HA3 GLY 15 14.315 -6.621 8.146 102 H GLY 16 H GLY 16 11.351 -6.755 6.224 103 HA2 GLY 16 HA2 GLY 16 9.848 -5.136 5.599 104 HA3 GLY 16 HA3 GLY 16 10.403 -4.127 6.929 105 H ALA 17 H ALA 17 12.256 -5.487 4.166 106 HA ALA 17 HA ALA 17 13.418 -2.909 3.540 107 HB1 ALA 17 HB1 ALA 17 14.757 -4.966 3.323 108 HB2 ALA 17 HB2 ALA 17 14.661 -4.101 1.787 109 HB3 ALA 17 HB3 ALA 17 13.674 -5.543 2.054 110 H GLN 18 H GLN 18 12.892 -1.553 1.883 111 HA GLN 18 HA GLN 18 10.180 -1.609 1.024 112 HB2 GLN 18 HB2 GLN 18 11.423 0.448 1.658 113 HB3 GLN 18 HB3 GLN 18 12.416 0.286 0.213 114 HG2 GLN 18 HG2 GLN 18 10.418 0.613 -1.201 115 HG3 GLN 18 HG3 GLN 18 9.412 0.743 0.246 116 HE21 GLN 18 HE21 GLN 18 11.775 2.348 -1.751 117 HE22 GLN 18 HE22 GLN 18 11.635 3.900 -1.007 118 H VAL 19 H VAL 19 9.273 -2.115 -0.889 119 HA VAL 19 HA VAL 19 10.928 -3.302 -3.044 120 HB VAL 19 HB VAL 19 7.904 -3.590 -2.615 121 HG11 VAL 19 HG11 VAL 19 8.074 -5.499 -4.190 122 HG12 VAL 19 HG12 VAL 19 9.791 -5.160 -4.416 123 HG13 VAL 19 HG13 VAL 19 8.582 -3.986 -4.944 124 HG21 VAL 19 HG21 VAL 19 8.338 -5.852 -1.715 125 HG22 VAL 19 HG22 VAL 19 9.074 -4.605 -0.704 126 HG23 VAL 19 HG23 VAL 19 10.079 -5.555 -1.802 127 H GLY 20 H GLY 20 11.392 -1.725 -4.541 128 HA2 GLY 20 HA2 GLY 20 11.132 0.001 -6.056 129 HA3 GLY 20 HA3 GLY 20 9.389 -0.106 -5.839 130 H ASP 21 H ASP 21 8.820 2.020 -5.482 131 HA ASP 21 HA ASP 21 10.225 3.578 -3.370 132 HB2 ASP 21 HB2 ASP 21 8.663 4.608 -5.786 133 HB3 ASP 21 HB3 ASP 21 9.435 5.620 -4.567 134 H ILE 22 H ILE 22 8.646 5.444 -2.584 135 HA ILE 22 HA ILE 22 6.198 4.253 -1.507 136 HB ILE 22 HB ILE 22 7.172 7.124 -1.089 137 HG12 ILE 22 HG12 ILE 22 7.916 6.146 1.261 138 HG13 ILE 22 HG13 ILE 22 7.986 4.608 0.410 139 HG21 ILE 22 HG21 ILE 22 4.814 6.800 -0.526 140 HG22 ILE 22 HG22 ILE 22 5.751 7.070 0.944 141 HG23 ILE 22 HG23 ILE 22 5.221 5.438 0.525 142 HD11 ILE 22 HD11 ILE 22 9.647 5.565 -1.134 143 HD12 ILE 22 HD12 ILE 22 10.169 5.649 0.548 144 HD13 ILE 22 HD13 ILE 22 9.565 7.096 -0.259 145 H VAL 23 H VAL 23 4.087 4.951 -2.061 146 HA VAL 23 HA VAL 23 3.848 6.605 -4.523 147 HB VAL 23 HB VAL 23 1.896 4.499 -3.474 148 HG11 VAL 23 HG11 VAL 23 1.899 6.020 -6.114 149 HG12 VAL 23 HG12 VAL 23 0.751 6.233 -4.789 150 HG13 VAL 23 HG13 VAL 23 0.792 4.715 -5.680 151 HG21 VAL 23 HG21 VAL 23 3.973 3.422 -4.216 152 HG22 VAL 23 HG22 VAL 23 3.895 4.276 -5.759 153 HG23 VAL 23 HG23 VAL 23 2.666 3.075 -5.353 154 H THR 24 H THR 24 3.510 8.664 -3.719 155 HA THR 24 HA THR 24 1.568 9.157 -1.583 156 HB THR 24 HB THR 24 3.161 11.191 -3.195 157 HG1 THR 24 HG1 THR 24 4.326 11.224 -1.025 158 HG21 THR 24 HG21 THR 24 2.649 12.739 -1.334 159 HG22 THR 24 HG22 THR 24 1.663 11.499 -0.558 160 HG23 THR 24 HG23 THR 24 1.167 12.178 -2.110 161 H VAL 25 H VAL 25 -0.519 9.306 -2.087 162 HA VAL 25 HA VAL 25 -1.377 10.532 -4.639 163 HB VAL 25 HB VAL 25 -3.629 9.530 -4.171 164 HG11 VAL 25 HG11 VAL 25 -2.032 8.285 -5.575 165 HG12 VAL 25 HG12 VAL 25 -3.046 7.180 -4.644 166 HG13 VAL 25 HG13 VAL 25 -1.378 7.480 -4.143 167 HG21 VAL 25 HG21 VAL 25 -2.277 8.203 -1.786 168 HG22 VAL 25 HG22 VAL 25 -3.901 7.838 -2.380 169 HG23 VAL 25 HG23 VAL 25 -3.543 9.433 -1.715 170 H THR 26 H THR 26 -2.979 12.285 -4.551 171 HA THR 26 HA THR 26 -2.941 13.791 -1.989 172 HB THR 26 HB THR 26 -0.988 14.547 -3.261 173 HG1 THR 26 HG1 THR 26 -1.798 16.200 -2.099 174 HG21 THR 26 HG21 THR 26 -1.189 15.723 -5.406 175 HG22 THR 26 HG22 THR 26 -2.923 15.392 -5.449 176 HG23 THR 26 HG23 THR 26 -1.766 14.062 -5.561 177 H GLY 27 H GLY 27 -4.397 15.578 -1.832 178 HA2 GLY 27 HA2 GLY 27 -6.241 16.647 -3.475 179 HA3 GLY 27 HA3 GLY 27 -6.979 15.092 -3.102 180 H LYS 28 H LYS 28 -8.384 15.162 -1.468 181 HA LYS 28 HA LYS 28 -7.782 16.244 1.116 182 HB2 LYS 28 HB2 LYS 28 -8.520 18.311 -0.177 183 HB3 LYS 28 HB3 LYS 28 -10.107 17.580 -0.358 184 HG2 LYS 28 HG2 LYS 28 -10.610 17.821 1.959 185 HG3 LYS 28 HG3 LYS 28 -8.913 18.035 2.391 186 HD2 LYS 28 HD2 LYS 28 -10.071 20.171 2.574 187 HD3 LYS 28 HD3 LYS 28 -8.901 20.250 1.258 188 HE2 LYS 28 HE2 LYS 28 -10.904 21.341 0.506 189 HE3 LYS 28 HE3 LYS 28 -10.824 19.799 -0.341 190 HZ1 LYS 28 HZ1 LYS 28 -12.482 20.391 2.043 191 HZ2 LYS 28 HZ2 LYS 28 -12.380 18.892 1.270 192 HZ3 LYS 28 HZ3 LYS 28 -13.040 20.208 0.460 193 H THR 29 H THR 29 -9.439 15.613 2.715 194 HA THR 29 HA THR 29 -10.057 12.912 2.517 195 HB THR 29 HB THR 29 -9.703 14.002 4.664 196 HG1 THR 29 HG1 THR 29 -10.860 12.500 5.572 197 HG21 THR 29 HG21 THR 29 -11.422 15.394 5.756 198 HG22 THR 29 HG22 THR 29 -12.418 15.326 4.300 199 HG23 THR 29 HG23 THR 29 -10.858 16.153 4.264 200 H ASP 30 H ASP 30 -12.083 15.514 1.486 201 HA ASP 30 HA ASP 30 -14.663 14.366 1.628 202 HB2 ASP 30 HB2 ASP 30 -13.567 16.507 -0.251 203 HB3 ASP 30 HB3 ASP 30 -15.280 16.161 0.003 204 H ASP 31 H ASP 31 -12.055 13.988 -0.687 205 HA ASP 31 HA ASP 31 -13.724 12.425 -2.559 206 HB2 ASP 31 HB2 ASP 31 -12.282 14.275 -3.454 207 HB3 ASP 31 HB3 ASP 31 -10.858 13.421 -2.881 208 H SER 32 H SER 32 -13.438 10.258 -2.810 209 HA SER 32 HA SER 32 -11.225 8.880 -1.378 210 HB2 SER 32 HB2 SER 32 -13.413 8.415 -0.308 211 HB3 SER 32 HB3 SER 32 -14.053 7.829 -1.842 212 HG SER 32 HG SER 32 -12.244 6.638 -0.082 213 H THR 33 H THR 33 -10.130 7.260 -2.458 214 HA THR 33 HA THR 33 -10.952 6.389 -5.145 215 HB THR 33 HB THR 33 -9.530 8.368 -5.606 216 HG1 THR 33 HG1 THR 33 -7.923 7.178 -6.909 217 HG21 THR 33 HG21 THR 33 -7.133 8.412 -5.038 218 HG22 THR 33 HG22 THR 33 -7.284 6.874 -4.186 219 HG23 THR 33 HG23 THR 33 -8.097 8.310 -3.561 220 H THR 34 H THR 34 -10.020 4.393 -5.791 221 HA THR 34 HA THR 34 -8.651 2.858 -3.646 222 HB THR 34 HB THR 34 -9.325 0.800 -4.899 223 HG1 THR 34 HG1 THR 34 -10.955 2.497 -6.517 224 HG21 THR 34 HG21 THR 34 -11.733 0.859 -4.351 225 HG22 THR 34 HG22 THR 34 -11.674 2.619 -4.233 226 HG23 THR 34 HG23 THR 34 -10.782 1.627 -3.075 227 H TYR 35 H TYR 35 -6.506 2.834 -3.864 228 HA TYR 35 HA TYR 35 -5.142 3.172 -6.409 229 HB2 TYR 35 HB2 TYR 35 -4.084 4.317 -4.578 230 HB3 TYR 35 HB3 TYR 35 -4.194 2.909 -3.528 231 HD1 TYR 35 HD2 TYR 35 -2.587 3.958 -6.779 232 HD2 TYR 35 HD1 TYR 35 -2.252 1.591 -3.225 233 HE1 TYR 35 HE2 TYR 35 -0.350 3.231 -7.467 234 HE2 TYR 35 HE1 TYR 35 -0.013 0.863 -3.927 235 HH TYR 35 HH TYR 35 1.305 0.651 -5.954 236 H THR 36 H THR 36 -4.251 1.515 -7.631 237 HA THR 36 HA THR 36 -4.892 -1.219 -6.991 238 HB THR 36 HB THR 36 -5.104 -0.633 -9.304 239 HG1 THR 36 HG1 THR 36 -3.281 -2.069 -10.187 240 HG21 THR 36 HG21 THR 36 -2.169 0.175 -9.332 241 HG22 THR 36 HG22 THR 36 -3.542 1.281 -9.438 242 HG23 THR 36 HG23 THR 36 -3.241 0.122 -10.734 243 H VAL 37 H VAL 37 -3.708 -2.377 -5.602 244 HA VAL 37 HA VAL 37 -0.905 -1.924 -5.057 245 HB VAL 37 HB VAL 37 -2.747 -4.184 -4.140 246 HG11 VAL 37 HG11 VAL 37 -0.008 -3.386 -3.063 247 HG12 VAL 37 HG12 VAL 37 -0.392 -4.868 -3.940 248 HG13 VAL 37 HG13 VAL 37 -1.079 -4.591 -2.339 249 HG21 VAL 37 HG21 VAL 37 -1.967 -1.623 -2.694 250 HG22 VAL 37 HG22 VAL 37 -2.937 -2.932 -2.014 251 HG23 VAL 37 HG23 VAL 37 -3.554 -1.994 -3.376 252 H THR 38 H THR 38 0.778 -2.808 -6.184 253 HA THR 38 HA THR 38 0.239 -4.896 -8.201 254 HB THR 38 HB THR 38 2.518 -4.226 -9.119 255 HG1 THR 38 HG1 THR 38 3.352 -3.238 -7.220 256 HG21 THR 38 HG21 THR 38 0.433 -2.015 -8.963 257 HG22 THR 38 HG22 THR 38 0.464 -3.331 -10.142 258 HG23 THR 38 HG23 THR 38 1.739 -2.112 -10.149 259 H ILE 39 H ILE 39 0.641 -6.912 -7.540 260 HA ILE 39 HA ILE 39 2.647 -7.557 -5.501 261 HB ILE 39 HB ILE 39 0.703 -9.382 -6.992 262 HG12 ILE 39 HG12 ILE 39 -0.485 -7.741 -5.547 263 HG13 ILE 39 HG13 ILE 39 -0.665 -9.376 -4.928 264 HG21 ILE 39 HG21 ILE 39 1.226 -11.077 -5.260 265 HG22 ILE 39 HG22 ILE 39 2.435 -9.996 -4.563 266 HG23 ILE 39 HG23 ILE 39 2.660 -10.638 -6.192 267 HD11 ILE 39 HD11 ILE 39 1.206 -7.270 -3.840 268 HD12 ILE 39 HD12 ILE 39 1.004 -8.904 -3.202 269 HD13 ILE 39 HD13 ILE 39 -0.337 -7.761 -3.142 270 HA PRO 40 HA PRO 40 5.510 -8.513 -9.006 271 HB2 PRO 40 HB2 PRO 40 7.603 -8.783 -6.921 272 HB3 PRO 40 HB3 PRO 40 7.494 -7.625 -8.249 273 HG2 PRO 40 HG2 PRO 40 7.158 -6.875 -5.654 274 HG3 PRO 40 HG3 PRO 40 6.295 -6.076 -6.988 275 HD2 PRO 40 HD2 PRO 40 5.289 -8.228 -5.104 276 HD3 PRO 40 HD3 PRO 40 4.484 -6.725 -5.622 277 H ASP 41 H ASP 41 6.679 -10.383 -9.670 278 HA ASP 41 HA ASP 41 5.732 -12.906 -8.738 279 HB2 ASP 41 HB2 ASP 41 8.010 -12.235 -10.651 280 HB3 ASP 41 HB3 ASP 41 7.381 -13.860 -10.388 281 H GLY 42 H GLY 42 6.498 -14.232 -7.211 282 HA2 GLY 42 HA2 GLY 42 8.148 -15.323 -5.896 283 HA3 GLY 42 HA3 GLY 42 9.242 -13.969 -6.135 284 H TYR 43 H TYR 43 6.559 -12.315 -5.478 285 HA TYR 43 HA TYR 43 6.930 -12.368 -2.532 286 HB2 TYR 43 HB2 TYR 43 5.968 -10.091 -4.327 287 HB3 TYR 43 HB3 TYR 43 6.084 -10.022 -2.569 288 HD1 TYR 43 HD2 TYR 43 8.160 -10.414 -5.669 289 HD2 TYR 43 HD1 TYR 43 8.147 -9.407 -1.505 290 HE1 TYR 43 HE2 TYR 43 10.480 -9.643 -5.848 291 HE2 TYR 43 HE1 TYR 43 10.472 -8.634 -1.690 292 HH TYR 43 HH TYR 43 12.427 -8.996 -3.140 293 H GLU 44 H GLU 44 5.167 -12.436 -1.200 294 HA GLU 44 HA GLU 44 2.513 -13.139 -2.338 295 HB2 GLU 44 HB2 GLU 44 3.979 -14.367 0.042 296 HB3 GLU 44 HB3 GLU 44 2.306 -14.720 -0.376 297 HG2 GLU 44 HG2 GLU 44 4.720 -15.325 -2.117 298 HG3 GLU 44 HG3 GLU 44 3.882 -16.491 -1.093 299 H TYR 45 H TYR 45 0.753 -12.143 -1.380 300 HA TYR 45 HA TYR 45 1.148 -9.850 0.248 301 HB2 TYR 45 HB2 TYR 45 -0.705 -9.914 -1.341 302 HB3 TYR 45 HB3 TYR 45 -1.417 -11.307 -0.531 303 HD1 TYR 45 HD2 TYR 45 -0.378 -7.760 0.198 304 HD2 TYR 45 HD1 TYR 45 -3.136 -10.923 1.064 305 HE1 TYR 45 HE2 TYR 45 -1.606 -6.282 1.717 306 HE2 TYR 45 HE1 TYR 45 -4.354 -9.442 2.593 307 HH TYR 45 HH TYR 45 -3.633 -6.048 2.834 308 H VAL 46 H VAL 46 1.649 -9.883 2.367 309 HA VAL 46 HA VAL 46 0.849 -12.053 4.155 310 HB VAL 46 HB VAL 46 2.524 -9.555 4.697 311 HG11 VAL 46 HG11 VAL 46 1.490 -10.327 6.795 312 HG12 VAL 46 HG12 VAL 46 3.222 -10.654 6.812 313 HG13 VAL 46 HG13 VAL 46 2.081 -11.966 6.508 314 HG21 VAL 46 HG21 VAL 46 4.464 -11.067 4.666 315 HG22 VAL 46 HG22 VAL 46 3.607 -11.097 3.123 316 HG23 VAL 46 HG23 VAL 46 3.408 -12.427 4.269 317 H GLY 47 H GLY 47 0.631 -8.491 4.182 318 HA2 GLY 47 HA2 GLY 47 -2.053 -8.304 5.099 319 HA3 GLY 47 HA3 GLY 47 -0.948 -8.159 6.466 320 H THR 48 H THR 48 -2.267 -6.011 6.360 321 HA THR 48 HA THR 48 -0.552 -3.949 5.193 322 HB THR 48 HB THR 48 -3.513 -4.147 4.466 323 HG1 THR 48 HG1 THR 48 -1.121 -4.592 3.077 324 HG21 THR 48 HG21 THR 48 -3.207 -2.060 3.186 325 HG22 THR 48 HG22 THR 48 -1.566 -1.902 3.818 326 HG23 THR 48 HG23 THR 48 -2.949 -1.790 4.913 327 H ASP 49 H ASP 49 -0.496 -2.122 6.398 328 HA ASP 49 HA ASP 49 -2.455 -1.768 8.601 329 HB2 ASP 49 HB2 ASP 49 -0.618 -0.594 9.831 330 HB3 ASP 49 HB3 ASP 49 -0.299 -2.295 9.544 331 H GLY 50 H GLY 50 -3.052 0.417 9.126 332 HA2 GLY 50 HA2 GLY 50 -3.596 2.621 8.602 333 HA3 GLY 50 HA3 GLY 50 -2.621 2.515 7.141 334 H GLY 51 H GLY 51 -4.401 3.584 6.014 335 HA2 GLY 51 HA2 GLY 51 -6.821 3.156 5.324 336 HA3 GLY 51 HA3 GLY 51 -5.624 3.150 4.051 337 H VAL 52 H VAL 52 -8.052 1.951 3.630 338 HA VAL 52 HA VAL 52 -8.304 -0.674 4.863 339 HB VAL 52 HB VAL 52 -10.155 0.769 2.899 340 HG11 VAL 52 HG11 VAL 52 -11.917 -0.829 3.627 341 HG12 VAL 52 HG12 VAL 52 -10.722 -1.718 4.572 342 HG13 VAL 52 HG13 VAL 52 -10.586 -1.655 2.813 343 HG21 VAL 52 HG21 VAL 52 -11.541 1.293 4.886 344 HG22 VAL 52 HG22 VAL 52 -9.930 2.003 5.004 345 HG23 VAL 52 HG23 VAL 52 -10.320 0.549 5.927 346 H VAL 53 H VAL 53 -7.570 -2.517 3.939 347 HA VAL 53 HA VAL 53 -6.797 -2.533 1.097 348 HB VAL 53 HB VAL 53 -5.124 -3.131 2.858 349 HG11 VAL 53 HG11 VAL 53 -6.568 -4.332 4.428 350 HG12 VAL 53 HG12 VAL 53 -5.187 -5.323 3.959 351 HG13 VAL 53 HG13 VAL 53 -6.777 -5.644 3.262 352 HG21 VAL 53 HG21 VAL 53 -4.776 -3.840 0.536 353 HG22 VAL 53 HG22 VAL 53 -5.688 -5.324 0.830 354 HG23 VAL 53 HG23 VAL 53 -4.151 -5.055 1.656 355 H SER 54 H SER 54 -7.314 -4.303 -0.282 356 HA SER 54 HA SER 54 -9.946 -5.412 -0.135 357 HB2 SER 54 HB2 SER 54 -8.965 -4.861 -2.299 358 HB3 SER 54 HB3 SER 54 -7.606 -5.947 -2.014 359 HG SER 54 HG SER 54 -10.244 -6.530 -2.748 360 H SER 55 H SER 55 -10.436 -7.751 -0.397 361 HA SER 55 HA SER 55 -9.469 -9.449 1.648 362 HB2 SER 55 HB2 SER 55 -10.828 -11.219 0.495 363 HB3 SER 55 HB3 SER 55 -11.717 -9.709 0.675 364 HG SER 55 HG SER 55 -10.747 -10.949 -1.626 365 H ASP 56 H ASP 56 -8.536 -9.103 -1.718 366 HA ASP 56 HA ASP 56 -6.611 -11.342 -1.629 367 HB2 ASP 56 HB2 ASP 56 -7.422 -9.507 -3.930 368 HB3 ASP 56 HB3 ASP 56 -6.357 -10.905 -4.067 369 H GLY 57 H GLY 57 -6.676 -8.015 -0.985 370 HA2 GLY 57 HA2 GLY 57 -5.092 -6.369 -0.764 371 HA3 GLY 57 HA3 GLY 57 -3.850 -7.597 -0.971 372 H LYS 58 H LYS 58 -6.429 -6.822 -3.294 373 HA LYS 58 HA LYS 58 -4.462 -6.301 -5.395 374 HB2 LYS 58 HB2 LYS 58 -6.357 -6.359 -6.960 375 HB3 LYS 58 HB3 LYS 58 -6.362 -7.773 -5.916 376 HG2 LYS 58 HG2 LYS 58 -8.165 -6.785 -4.557 377 HG3 LYS 58 HG3 LYS 58 -8.147 -5.343 -5.569 378 HD2 LYS 58 HD2 LYS 58 -9.999 -6.655 -6.305 379 HD3 LYS 58 HD3 LYS 58 -8.760 -6.835 -7.543 380 HE2 LYS 58 HE2 LYS 58 -9.282 -8.874 -5.343 381 HE3 LYS 58 HE3 LYS 58 -9.985 -8.957 -6.953 382 HZ1 LYS 58 HZ1 LYS 58 -7.700 -9.073 -7.847 383 HZ2 LYS 58 HZ2 LYS 58 -8.096 -10.380 -6.856 384 HZ3 LYS 58 HZ3 LYS 58 -7.096 -9.152 -6.269 385 H THR 59 H THR 59 -6.688 -4.488 -3.414 386 HA THR 59 HA THR 59 -5.714 -1.941 -4.513 387 HB THR 59 HB THR 59 -8.106 -0.979 -4.339 388 HG1 THR 59 HG1 THR 59 -9.746 -2.715 -4.730 389 HG21 THR 59 HG21 THR 59 -8.799 -1.708 -6.592 390 HG22 THR 59 HG22 THR 59 -7.629 -3.028 -6.535 391 HG23 THR 59 HG23 THR 59 -7.070 -1.354 -6.542 392 H VAL 60 H VAL 60 -5.958 -0.151 -3.095 393 HA VAL 60 HA VAL 60 -6.928 -0.643 -0.345 394 HB VAL 60 HB VAL 60 -5.163 1.021 0.475 395 HG11 VAL 60 HG11 VAL 60 -4.137 -1.609 -0.650 396 HG12 VAL 60 HG12 VAL 60 -4.926 -1.380 0.911 397 HG13 VAL 60 HG13 VAL 60 -3.348 -0.654 0.609 398 HG21 VAL 60 HG21 VAL 60 -3.119 1.341 -0.875 399 HG22 VAL 60 HG22 VAL 60 -4.531 2.036 -1.674 400 HG23 VAL 60 HG23 VAL 60 -3.877 0.493 -2.230 401 H THR 61 H THR 61 -8.519 0.750 0.264 402 HA THR 61 HA THR 61 -9.351 2.924 -1.449 403 HB THR 61 HB THR 61 -10.579 1.935 1.171 404 HG1 THR 61 HG1 THR 61 -10.554 0.373 -0.578 405 HG21 THR 61 HG21 THR 61 -12.636 3.090 0.402 406 HG22 THR 61 HG22 THR 61 -11.777 3.697 -1.015 407 HG23 THR 61 HG23 THR 61 -11.308 4.242 0.595 408 H ILE 62 H ILE 62 -9.014 5.031 -1.032 409 HA ILE 62 HA ILE 62 -7.486 5.848 1.372 410 HB ILE 62 HB ILE 62 -7.063 6.726 -1.533 411 HG12 ILE 62 HG12 ILE 62 -6.162 4.450 -1.113 412 HG13 ILE 62 HG13 ILE 62 -4.860 5.595 -1.403 413 HG21 ILE 62 HG21 ILE 62 -6.618 8.607 -0.045 414 HG22 ILE 62 HG22 ILE 62 -5.093 7.989 -0.676 415 HG23 ILE 62 HG23 ILE 62 -5.582 7.602 0.972 416 HD11 ILE 62 HD11 ILE 62 -4.413 5.669 1.015 417 HD12 ILE 62 HD12 ILE 62 -4.285 4.038 0.356 418 HD13 ILE 62 HD13 ILE 62 -5.714 4.502 1.279 419 H THR 63 H THR 63 -8.240 7.609 2.402 420 HA THR 63 HA THR 63 -9.641 9.761 0.912 421 HB THR 63 HB THR 63 -10.626 10.444 3.229 422 HG1 THR 63 HG1 THR 63 -9.474 7.991 3.855 423 HG21 THR 63 HG21 THR 63 -12.585 8.938 3.024 424 HG22 THR 63 HG22 THR 63 -11.682 7.932 1.889 425 HG23 THR 63 HG23 THR 63 -12.081 9.602 1.465 426 H PHE 64 H PHE 64 -8.364 11.483 0.782 427 HA PHE 64 HA PHE 64 -5.694 11.409 1.807 428 HB2 PHE 64 HB2 PHE 64 -6.955 13.864 0.525 429 HB3 PHE 64 HB3 PHE 64 -5.289 13.318 0.429 430 HD1 PHE 64 HD2 PHE 64 -4.698 11.388 -1.091 431 HD2 PHE 64 HD1 PHE 64 -8.630 13.071 -1.015 432 HE1 PHE 64 HE2 PHE 64 -5.225 10.312 -3.239 433 HE2 PHE 64 HE1 PHE 64 -9.141 11.990 -3.149 434 HZ PHE 64 HZ PHE 64 -7.441 10.617 -4.270 435 H ALA 65 H ALA 65 -5.081 12.086 3.874 436 HA ALA 65 HA ALA 65 -6.567 14.279 5.185 437 HB1 ALA 65 HB1 ALA 65 -6.378 11.504 6.398 438 HB2 ALA 65 HB2 ALA 65 -7.829 12.234 5.711 439 HB3 ALA 65 HB3 ALA 65 -7.098 12.929 7.158 440 H ALA 66 H ALA 66 -5.499 15.380 6.721 441 HA ALA 66 HA ALA 66 -2.708 14.933 7.301 442 HB1 ALA 66 HB1 ALA 66 -3.658 17.201 7.142 443 HB2 ALA 66 HB2 ALA 66 -2.920 16.929 8.723 444 HB3 ALA 66 HB3 ALA 66 -4.677 16.882 8.548 445 H ASP 67 H ASP 67 -5.406 13.378 8.414 446 HA ASP 67 HA ASP 67 -4.758 12.844 11.148 447 HB2 ASP 67 HB2 ASP 67 -7.040 12.594 10.151 448 HB3 ASP 67 HB3 ASP 67 -6.467 11.252 9.169 449 H ASP 68 H ASP 68 -3.853 11.433 8.058 450 HA ASP 68 HA ASP 68 -2.113 10.207 7.365 451 HB2 ASP 68 HB2 ASP 68 -1.127 10.499 10.219 452 HB3 ASP 68 HB3 ASP 68 -0.172 9.768 8.935 453 H SER 69 H SER 69 -4.469 8.816 9.143 454 HA SER 69 HA SER 69 -3.451 6.207 9.658 455 HB2 SER 69 HB2 SER 69 -6.293 7.113 9.039 456 HB3 SER 69 HB3 SER 69 -5.890 5.460 9.482 457 HG SER 69 HG SER 69 -6.341 7.518 11.090 458 H ASP 70 H ASP 70 -5.761 6.789 6.992 459 HA ASP 70 HA ASP 70 -5.219 5.284 4.991 460 HB2 ASP 70 HB2 ASP 70 -5.334 8.299 4.659 461 HB3 ASP 70 HB3 ASP 70 -5.595 7.142 3.356 462 H ASN 71 H ASN 71 -2.398 6.963 6.153 463 HA ASN 71 HA ASN 71 -0.763 6.474 3.844 464 HB2 ASN 71 HB2 ASN 71 0.020 6.620 6.793 465 HB3 ASN 71 HB3 ASN 71 1.162 6.559 5.451 466 HD21 ASN 71 HD21 ASN 71 1.005 8.601 7.403 467 HD22 ASN 71 HD22 ASN 71 0.614 10.074 6.592 468 H VAL 72 H VAL 72 -0.867 4.437 3.001 469 HA VAL 72 HA VAL 72 -1.333 2.060 4.632 470 HB VAL 72 HB VAL 72 -1.219 2.585 1.626 471 HG11 VAL 72 HG11 VAL 72 -0.402 0.309 1.920 472 HG12 VAL 72 HG12 VAL 72 -2.037 0.266 1.260 473 HG13 VAL 72 HG13 VAL 72 -1.767 -0.078 2.968 474 HG21 VAL 72 HG21 VAL 72 -3.645 2.102 1.694 475 HG22 VAL 72 HG22 VAL 72 -3.218 3.452 2.750 476 HG23 VAL 72 HG23 VAL 72 -3.544 1.860 3.442 477 H VAL 73 H VAL 73 0.165 0.403 4.976 478 HA VAL 73 HA VAL 73 2.658 0.364 3.350 479 HB VAL 73 HB VAL 73 2.413 -0.424 6.305 480 HG11 VAL 73 HG11 VAL 73 4.851 -0.604 4.466 481 HG12 VAL 73 HG12 VAL 73 3.945 -1.969 5.127 482 HG13 VAL 73 HG13 VAL 73 4.852 -0.910 6.208 483 HG21 VAL 73 HG21 VAL 73 4.028 1.403 6.732 484 HG22 VAL 73 HG22 VAL 73 2.551 2.024 5.990 485 HG23 VAL 73 HG23 VAL 73 4.012 1.837 5.017 486 H ILE 74 H ILE 74 2.705 -1.375 2.068 487 HA ILE 74 HA ILE 74 0.962 -3.699 2.493 488 HB ILE 74 HB ILE 74 2.751 -2.951 0.121 489 HG12 ILE 74 HG12 ILE 74 0.851 -1.370 0.424 490 HG13 ILE 74 HG13 ILE 74 0.679 -2.302 -1.056 491 HG21 ILE 74 HG21 ILE 74 2.445 -5.386 0.198 492 HG22 ILE 74 HG22 ILE 74 1.538 -4.710 -1.156 493 HG23 ILE 74 HG23 ILE 74 0.694 -5.190 0.319 494 HD11 ILE 74 HD11 ILE 74 -0.801 -2.800 1.529 495 HD12 ILE 74 HD12 ILE 74 -0.994 -3.719 0.033 496 HD13 ILE 74 HD13 ILE 74 -1.446 -2.016 0.087 497 H HIS 75 H HIS 75 1.766 -5.441 3.538 498 HA HIS 75 HA HIS 75 4.647 -5.943 3.794 499 HB2 HIS 75 HB2 HIS 75 2.203 -7.183 5.129 500 HB3 HIS 75 HB3 HIS 75 3.843 -7.777 5.385 501 HD1 HIS 75 HD1 HIS 75 4.747 -6.958 7.511 502 HD2 HIS 75 HD2 HIS 75 2.260 -4.118 5.765 503 HE1 HIS 75 HE1 HIS 75 4.687 -5.030 9.119 504 HE2 HIS 75 HE2 HIS 75 3.272 -3.284 7.982 505 H LEU 76 H LEU 76 5.694 -7.562 2.718 506 HA LEU 76 HA LEU 76 4.159 -9.614 1.226 507 HB2 LEU 76 HB2 LEU 76 6.503 -7.963 0.174 508 HB3 LEU 76 HB3 LEU 76 5.836 -9.367 -0.652 509 HG LEU 76 HG LEU 76 4.317 -6.783 -0.098 510 HD11 LEU 76 HD11 LEU 76 5.496 -7.756 -2.718 511 HD12 LEU 76 HD12 LEU 76 6.070 -6.394 -1.750 512 HD13 LEU 76 HD13 LEU 76 4.477 -6.328 -2.500 513 HD21 LEU 76 HD21 LEU 76 2.573 -7.687 -1.572 514 HD22 LEU 76 HD22 LEU 76 2.818 -8.733 -0.171 515 HD23 LEU 76 HD23 LEU 76 3.479 -9.196 -1.745 516 H LYS 77 H LYS 77 5.129 -11.676 1.168 517 HA LYS 77 HA LYS 77 7.845 -11.955 2.338 518 HB2 LYS 77 HB2 LYS 77 7.232 -14.100 3.327 519 HB3 LYS 77 HB3 LYS 77 6.175 -12.830 3.933 520 HG2 LYS 77 HG2 LYS 77 4.361 -13.608 2.485 521 HG3 LYS 77 HG3 LYS 77 5.424 -14.829 1.772 522 HD2 LYS 77 HD2 LYS 77 5.632 -15.954 3.956 523 HD3 LYS 77 HD3 LYS 77 4.638 -14.707 4.717 524 HE2 LYS 77 HE2 LYS 77 3.380 -16.792 4.267 525 HE3 LYS 77 HE3 LYS 77 2.702 -15.411 3.406 526 HZ1 LYS 77 HZ1 LYS 77 3.761 -16.165 1.395 527 HZ2 LYS 77 HZ2 LYS 77 2.828 -17.414 2.035 528 HZ3 LYS 77 HZ3 LYS 77 4.510 -17.442 2.207 529 H HIS 78 H HIS 78 9.170 -13.616 1.482 530 HA HIS 78 HA HIS 78 8.859 -14.009 -1.356 531 HB2 HIS 78 HB2 HIS 78 10.973 -15.119 0.540 532 HB3 HIS 78 HB3 HIS 78 11.061 -15.146 -1.222 533 HD1 HIS 78 HD1 HIS 78 13.218 -13.769 0.528 534 HD2 HIS 78 HD2 HIS 78 10.014 -11.770 -1.225 535 HE1 HIS 78 HE1 HIS 78 13.951 -11.384 0.319 536 HE2 HIS 78 HE2 HIS 78 11.917 -10.169 -0.494 537 H GLY 79 H GLY 79 8.291 -15.836 -2.456 538 HA2 GLY 79 HA2 GLY 79 7.485 -18.272 -0.936 539 HA3 GLY 79 HA3 GLY 79 6.720 -17.712 -2.419 540 H LEU 80 H LEU 80 10.156 -18.006 -1.556 541 HA LEU 80 HA LEU 80 10.676 -19.363 -4.135 542 HB2 LEU 80 HB2 LEU 80 12.639 -17.921 -2.293 543 HB3 LEU 80 HB3 LEU 80 12.971 -18.535 -3.908 544 HG LEU 80 HG LEU 80 11.138 -16.197 -3.214 545 HD11 LEU 80 HD11 LEU 80 12.788 -14.805 -4.373 546 HD12 LEU 80 HD12 LEU 80 13.822 -16.214 -4.627 547 HD13 LEU 80 HD13 LEU 80 13.503 -15.631 -2.990 548 HD21 LEU 80 HD21 LEU 80 10.897 -15.839 -5.643 549 HD22 LEU 80 HD22 LEU 80 10.234 -17.394 -5.154 550 HD23 LEU 80 HD23 LEU 80 11.803 -17.323 -5.959 551 H GLU 81 H GLU 81 10.158 -21.465 -3.465 552 HA GLU 81 HA GLU 81 11.253 -22.680 -1.090 553 HB2 GLU 81 HB2 GLU 81 9.842 -23.976 -3.465 554 HB3 GLU 81 HB3 GLU 81 10.177 -24.753 -1.917 555 HG2 GLU 81 HG2 GLU 81 8.281 -22.439 -2.435 556 HG3 GLU 81 HG3 GLU 81 7.855 -24.084 -1.971 557 H HIS 82 H HIS 82 13.399 -23.009 -1.009 558 HA HIS 82 HA HIS 82 14.815 -24.223 -3.317 559 HB2 HIS 82 HB2 HIS 82 16.872 -23.057 -2.553 560 HB3 HIS 82 HB3 HIS 82 15.590 -21.923 -2.957 561 HD1 HIS 82 HD1 HIS 82 17.716 -23.086 -0.129 562 HD2 HIS 82 HD2 HIS 82 14.542 -20.468 -0.730 563 HE1 HIS 82 HE1 HIS 82 17.568 -21.708 1.967 564 HE2 HIS 82 HE2 HIS 82 15.731 -20.051 1.521 565 H HIS 83 H HIS 83 15.926 -26.081 -2.985 566 HA HIS 83 HA HIS 83 15.789 -27.563 -0.562 567 HB2 HIS 83 HB2 HIS 83 17.503 -27.916 -3.055 568 HB3 HIS 83 HB3 HIS 83 17.518 -29.065 -1.717 569 HD1 HIS 83 HD1 HIS 83 15.512 -28.045 -4.680 570 HD2 HIS 83 HD2 HIS 83 15.080 -30.539 -1.384 571 HE1 HIS 83 HE1 HIS 83 13.538 -29.502 -5.187 572 HE2 HIS 83 HE2 HIS 83 13.210 -30.892 -3.123 573 H HIS 84 H HIS 84 17.523 -28.201 0.858 574 HA HIS 84 HA HIS 84 19.230 -25.896 1.546 575 HB2 HIS 84 HB2 HIS 84 18.526 -28.384 3.174 576 HB3 HIS 84 HB3 HIS 84 19.350 -26.948 3.782 577 HD1 HIS 84 HD1 HIS 84 16.045 -28.390 3.436 578 HD2 HIS 84 HD2 HIS 84 17.592 -24.539 3.649 579 HE1 HIS 84 HE1 HIS 84 14.093 -26.908 3.982 580 HE2 HIS 84 HE2 HIS 84 15.084 -24.621 4.266 581 H HIS 85 H HIS 85 20.092 -27.444 -0.664 582 HA HIS 85 HA HIS 85 22.295 -29.158 -0.013 583 HB2 HIS 85 HB2 HIS 85 20.979 -29.112 -2.198 584 HB3 HIS 85 HB3 HIS 85 21.820 -27.626 -2.605 585 HD1 HIS 85 HD1 HIS 85 24.130 -27.871 -3.654 586 HD2 HIS 85 HD2 HIS 85 22.659 -31.449 -2.139 587 HE1 HIS 85 HE1 HIS 85 25.695 -29.656 -4.474 588 HE2 HIS 85 HE2 HIS 85 24.860 -31.778 -3.436 589 H HIS 86 H HIS 86 21.886 -25.751 0.027 590 HA HIS 86 HA HIS 86 24.735 -25.388 0.771 591 HB2 HIS 86 HB2 HIS 86 22.860 -23.395 -0.580 592 HB3 HIS 86 HB3 HIS 86 24.361 -22.908 0.203 593 HD1 HIS 86 HD1 HIS 86 23.237 -23.334 -3.026 594 HD2 HIS 86 HD2 HIS 86 26.560 -24.813 -1.016 595 HE1 HIS 86 HE1 HIS 86 24.920 -23.871 -4.804 596 HE2 HIS 86 HE2 HIS 86 26.850 -24.901 -3.576 597 H HIS 87 H HIS 87 25.126 -24.051 2.588 598 HA HIS 87 HA HIS 87 23.179 -24.182 4.705 599 HB2 HIS 87 HB2 HIS 87 25.607 -24.533 5.112 600 HB3 HIS 87 HB3 HIS 87 25.935 -22.870 4.641 601 HD1 HIS 87 HD1 HIS 87 24.254 -24.868 7.383 602 HD2 HIS 87 HD2 HIS 87 25.661 -21.017 6.705 603 HE1 HIS 87 HE1 HIS 87 24.115 -23.699 9.596 604 HE2 HIS 87 HE2 HIS 87 24.821 -21.339 9.124
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