NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
636158 | 6h0j | 34299 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 -13.517 12.106 -0.953 2 H2 GLY 1 HT2 GLY 1 -13.490 12.532 0.682 3 H3 GLY 1 HT3 GLY 1 -12.512 11.273 0.120 4 HA2 GLY 1 HA1 GLY 1 -12.251 14.134 -0.606 5 HA3 GLY 1 HA2 GLY 1 -11.201 13.258 0.496 6 H SER 2 HN SER 2 -10.959 14.612 -2.260 7 HA SER 2 HA SER 2 -9.615 14.429 -4.060 8 HB2 SER 2 HB2 SER 2 -7.979 13.473 -2.441 9 HB3 SER 2 HB1 SER 2 -8.583 11.864 -2.829 10 HG SER 2 HG SER 2 -6.864 13.474 -4.218 11 H THR 3 HN THR 3 -10.274 10.974 -3.454 12 HA THR 3 HA THR 3 -12.008 10.884 -5.779 13 HB THR 3 HB THR 3 -9.382 9.394 -5.668 14 HG1 THR 3 HG1 THR 3 -10.098 11.649 -6.804 15 HG21 THR 3 HG21 THR 3 -10.105 8.251 -7.730 16 HG22 THR 3 HG22 THR 3 -11.711 8.953 -7.541 17 HG23 THR 3 HG23 THR 3 -11.099 7.814 -6.337 18 H ALA 4 HN ALA 4 -10.151 8.377 -4.117 19 HA ALA 4 HA ALA 4 -10.693 6.561 -2.922 20 HB1 ALA 4 HB1 ALA 4 -13.282 7.962 -2.275 21 HB2 ALA 4 HB2 ALA 4 -11.767 8.171 -1.396 22 HB3 ALA 4 HB3 ALA 4 -12.572 6.602 -1.405 23 H THR 5 HN THR 5 -13.696 7.580 -4.584 24 HA THR 5 HA THR 5 -14.957 5.205 -4.980 25 HB THR 5 HB THR 5 -14.668 7.322 -7.114 26 HG1 THR 5 HG1 THR 5 -16.010 7.258 -4.657 27 HG21 THR 5 HG21 THR 5 -16.893 6.619 -7.813 28 HG22 THR 5 HG22 THR 5 -16.937 5.414 -6.528 29 HG23 THR 5 HG23 THR 5 -15.786 5.247 -7.853 30 H LEU 6 HN LEU 6 -12.084 6.244 -6.615 31 HA LEU 6 HA LEU 6 -11.909 4.438 -8.696 32 HB2 LEU 6 HB2 LEU 6 -10.299 6.151 -8.546 33 HB3 LEU 6 HB1 LEU 6 -9.883 5.721 -6.899 34 HG LEU 6 HG LEU 6 -8.747 3.703 -7.697 35 HD11 LEU 6 HD11 LEU 6 -8.372 3.358 -10.085 36 HD12 LEU 6 HD12 LEU 6 -9.428 4.721 -10.453 37 HD13 LEU 6 HD13 LEU 6 -10.087 3.275 -9.691 38 HD21 LEU 6 HD21 LEU 6 -6.859 4.816 -8.729 39 HD22 LEU 6 HD22 LEU 6 -7.540 5.827 -7.453 40 HD23 LEU 6 HD23 LEU 6 -7.873 6.198 -9.145 41 H LEU 7 HN LEU 7 -10.340 4.045 -5.520 42 HA LEU 7 HA LEU 7 -10.031 1.217 -6.003 43 HB2 LEU 7 HB2 LEU 7 -8.699 3.144 -4.483 44 HB3 LEU 7 HB1 LEU 7 -9.423 2.057 -3.314 45 HG LEU 7 HG LEU 7 -7.098 1.428 -3.943 46 HD11 LEU 7 HD11 LEU 7 -7.577 -0.915 -4.070 47 HD12 LEU 7 HD12 LEU 7 -9.181 -0.595 -4.739 48 HD13 LEU 7 HD13 LEU 7 -8.816 -0.145 -3.073 49 HD21 LEU 7 HD21 LEU 7 -7.380 2.089 -6.362 50 HD22 LEU 7 HD22 LEU 7 -8.305 0.602 -6.578 51 HD23 LEU 7 HD23 LEU 7 -6.614 0.524 -6.085 52 H THR 8 HN THR 8 -12.036 3.322 -4.136 53 HA THR 8 HA THR 8 -13.064 1.563 -2.237 54 HB THR 8 HB THR 8 -14.236 3.960 -3.600 55 HG1 THR 8 HG1 THR 8 -12.386 3.972 -2.016 56 HG21 THR 8 HG21 THR 8 -16.089 2.511 -2.811 57 HG22 THR 8 HG22 THR 8 -15.992 4.031 -1.923 58 HG23 THR 8 HG23 THR 8 -15.388 2.546 -1.194 59 H SER 9 HN SER 9 -13.940 2.039 -5.609 60 HA SER 9 HA SER 9 -16.242 0.371 -5.591 61 HB2 SER 9 HB2 SER 9 -14.436 1.454 -7.738 62 HB3 SER 9 HB1 SER 9 -15.754 0.340 -8.129 63 HG SER 9 HG SER 9 -16.240 2.625 -6.545 64 H LYS 10 HN LYS 10 -12.857 -0.239 -5.658 65 HA LYS 10 HA LYS 10 -12.929 -2.938 -6.595 66 HB2 LYS 10 HB2 LYS 10 -10.847 -1.520 -6.496 67 HB3 LYS 10 HB1 LYS 10 -10.936 -1.607 -4.740 68 HG2 LYS 10 HG2 LYS 10 -9.310 -3.165 -5.428 69 HG3 LYS 10 HG1 LYS 10 -10.730 -4.086 -4.934 70 HD2 LYS 10 HD2 LYS 10 -10.662 -3.381 -7.779 71 HD3 LYS 10 HD1 LYS 10 -9.361 -4.454 -7.261 72 HE2 LYS 10 HE2 LYS 10 -10.977 -6.012 -6.346 73 HE3 LYS 10 HE1 LYS 10 -12.298 -4.925 -6.761 74 HZ1 LYS 10 HZ1 LYS 10 -11.714 -5.194 -9.099 75 HZ2 LYS 10 HZ2 LYS 10 -12.081 -6.682 -8.387 76 HZ3 LYS 10 HZ3 LYS 10 -10.469 -6.260 -8.680 77 H LEU 11 HN LEU 11 -12.551 -1.485 -3.391 78 HA LEU 11 HA LEU 11 -12.587 -3.901 -1.968 79 HB2 LEU 11 HB2 LEU 11 -13.348 -1.170 -0.953 80 HB3 LEU 11 HB1 LEU 11 -12.965 -2.554 0.041 81 HG LEU 11 HG LEU 11 -10.965 -1.484 0.147 82 HD11 LEU 11 HD11 LEU 11 -10.642 -2.866 -2.506 83 HD12 LEU 11 HD12 LEU 11 -10.601 -3.671 -0.932 84 HD13 LEU 11 HD13 LEU 11 -9.364 -2.480 -1.347 85 HD21 LEU 11 HD21 LEU 11 -11.850 0.352 -1.373 86 HD22 LEU 11 HD22 LEU 11 -11.113 -0.548 -2.701 87 HD23 LEU 11 HD23 LEU 11 -10.110 0.069 -1.386 88 H ALA 12 HN ALA 12 -15.150 -1.901 -3.139 89 HA ALA 12 HA ALA 12 -17.281 -2.820 -1.590 90 HB1 ALA 12 HB1 ALA 12 -18.704 -2.133 -3.447 91 HB2 ALA 12 HB2 ALA 12 -17.298 -2.064 -4.512 92 HB3 ALA 12 HB3 ALA 12 -17.436 -0.940 -3.159 93 H GLY 13 HN GLY 13 -15.504 -4.329 -4.162 94 HA2 GLY 13 HA2 GLY 13 -17.437 -6.477 -4.485 95 HA3 GLY 13 HA1 GLY 13 -15.919 -6.287 -5.354 96 H LEU 14 HN LEU 14 -14.829 -5.805 -2.425 97 HA LEU 14 HA LEU 14 -14.253 -8.634 -1.985 98 HB2 LEU 14 HB2 LEU 14 -12.822 -6.162 -1.121 99 HB3 LEU 14 HB1 LEU 14 -12.404 -7.738 -0.553 100 HG LEU 14 HG LEU 14 -10.889 -7.623 -2.179 101 HD11 LEU 14 HD11 LEU 14 -11.613 -8.659 -4.250 102 HD12 LEU 14 HD12 LEU 14 -13.294 -8.307 -3.842 103 HD13 LEU 14 HD13 LEU 14 -12.362 -9.430 -2.845 104 HD21 LEU 14 HD21 LEU 14 -11.123 -6.207 -4.175 105 HD22 LEU 14 HD22 LEU 14 -11.318 -5.330 -2.655 106 HD23 LEU 14 HD23 LEU 14 -12.734 -5.749 -3.620 107 H THR 15 HN THR 15 -13.783 -9.202 0.233 108 HA THR 15 HA THR 15 -15.460 -7.854 2.221 109 HB THR 15 HB THR 15 -15.113 -9.818 3.586 110 HG1 THR 15 HG1 THR 15 -13.716 -11.541 2.584 111 HG21 THR 15 HG21 THR 15 -15.502 -10.637 0.701 112 HG22 THR 15 HG22 THR 15 -16.769 -10.092 1.806 113 HG23 THR 15 HG23 THR 15 -15.935 -11.618 2.106 114 H ALA 16 HN ALA 16 -14.218 -7.531 4.392 115 HA ALA 16 HA ALA 16 -12.151 -5.764 4.034 116 HB1 ALA 16 HB1 ALA 16 -11.632 -6.025 6.393 117 HB2 ALA 16 HB2 ALA 16 -12.516 -7.550 6.439 118 HB3 ALA 16 HB3 ALA 16 -13.378 -6.042 6.145 119 H THR 17 HN THR 17 -11.909 -9.253 4.508 120 HA THR 17 HA THR 17 -9.125 -9.455 4.688 121 HB THR 17 HB THR 17 -11.096 -11.478 3.610 122 HG1 THR 17 HG1 THR 17 -11.737 -11.579 5.622 123 HG21 THR 17 HG21 THR 17 -8.768 -12.017 3.088 124 HG22 THR 17 HG22 THR 17 -9.433 -13.134 4.280 125 HG23 THR 17 HG23 THR 17 -8.345 -11.843 4.790 126 H GLU 18 HN GLU 18 -11.255 -9.747 1.822 127 HA GLU 18 HA GLU 18 -9.082 -10.202 0.078 128 HB2 GLU 18 HB2 GLU 18 -11.944 -9.451 -0.415 129 HB3 GLU 18 HB1 GLU 18 -10.800 -9.848 -1.677 130 HG2 GLU 18 HG2 GLU 18 -10.494 -12.057 -0.572 131 HG3 GLU 18 HG1 GLU 18 -11.831 -11.632 0.489 132 H GLN 19 HN GLN 19 -10.781 -7.413 1.248 133 HA GLN 19 HA GLN 19 -9.752 -5.494 -0.534 134 HB2 GLN 19 HB2 GLN 19 -10.456 -5.231 2.383 135 HB3 GLN 19 HB1 GLN 19 -10.254 -3.894 1.265 136 HG2 GLN 19 HG2 GLN 19 -12.121 -4.619 -0.014 137 HG3 GLN 19 HG1 GLN 19 -12.274 -6.075 0.943 138 HE21 GLN 19 HE21 GLN 19 -14.295 -4.168 0.476 139 HE22 GLN 19 HE22 GLN 19 -14.724 -3.487 2.015 140 H ARG 20 HN ARG 20 -8.516 -6.926 2.449 141 HA ARG 20 HA ARG 20 -6.060 -5.542 2.586 142 HB2 ARG 20 HB2 ARG 20 -6.192 -8.498 3.131 143 HB3 ARG 20 HB1 ARG 20 -5.258 -7.266 3.967 144 HG2 ARG 20 HG2 ARG 20 -7.303 -6.398 4.942 145 HG3 ARG 20 HG1 ARG 20 -8.242 -7.644 4.109 146 HD2 ARG 20 HD2 ARG 20 -7.900 -8.371 6.351 147 HD3 ARG 20 HD1 ARG 20 -6.855 -9.335 5.317 148 HE ARG 20 HE ARG 20 -5.297 -7.240 6.195 149 HH11 ARG 20 HH11 ARG 20 -7.111 -9.841 7.659 150 HH12 ARG 20 HH12 ARG 20 -6.085 -9.949 9.053 151 HH21 ARG 20 HH21 ARG 20 -3.930 -7.368 8.066 152 HH22 ARG 20 HH22 ARG 20 -4.299 -8.560 9.281 153 H ALA 21 HN ALA 21 -7.022 -8.479 0.929 154 HA ALA 21 HA ALA 21 -4.520 -9.242 -0.056 155 HB1 ALA 21 HB1 ALA 21 -7.221 -9.828 -1.252 156 HB2 ALA 21 HB2 ALA 21 -6.473 -10.722 0.072 157 HB3 ALA 21 HB3 ALA 21 -5.733 -10.733 -1.530 158 H VAL 22 HN VAL 22 -6.972 -7.173 -1.511 159 HA VAL 22 HA VAL 22 -5.802 -7.249 -4.095 160 HB VAL 22 HB VAL 22 -7.328 -5.307 -4.604 161 HG11 VAL 22 HG11 VAL 22 -7.925 -7.711 -4.904 162 HG12 VAL 22 HG12 VAL 22 -9.306 -6.655 -4.615 163 HG13 VAL 22 HG13 VAL 22 -8.684 -7.669 -3.310 164 HG21 VAL 22 HG21 VAL 22 -8.163 -5.771 -1.738 165 HG22 VAL 22 HG22 VAL 22 -9.082 -4.828 -2.914 166 HG23 VAL 22 HG23 VAL 22 -7.477 -4.293 -2.417 167 H THR 23 HN THR 23 -5.644 -4.756 -1.510 168 HA THR 23 HA THR 23 -3.667 -3.445 -3.185 169 HB THR 23 HB THR 23 -5.121 -1.921 -2.268 170 HG1 THR 23 HG1 THR 23 -3.163 -1.219 -0.550 171 HG21 THR 23 HG21 THR 23 -4.357 -2.799 0.484 172 HG22 THR 23 HG22 THR 23 -5.876 -3.217 -0.304 173 HG23 THR 23 HG23 THR 23 -5.507 -1.530 0.076 174 H ARG 24 HN ARG 24 -3.655 -5.725 -0.645 175 HA ARG 24 HA ARG 24 -0.964 -5.320 0.161 176 HB2 ARG 24 HB2 ARG 24 -2.353 -6.987 1.270 177 HB3 ARG 24 HB1 ARG 24 -2.548 -7.869 -0.232 178 HG2 ARG 24 HG2 ARG 24 0.118 -7.917 -0.049 179 HG3 ARG 24 HG1 ARG 24 -0.295 -7.829 1.666 180 HD2 ARG 24 HD2 ARG 24 -1.727 -9.766 1.448 181 HD3 ARG 24 HD1 ARG 24 -1.425 -9.813 -0.278 182 HE ARG 24 HE ARG 24 0.666 -10.299 1.735 183 HH11 ARG 24 HH11 ARG 24 -0.846 -10.985 -1.351 184 HH12 ARG 24 HH12 ARG 24 0.229 -12.292 -1.727 185 HH21 ARG 24 HH21 ARG 24 2.080 -12.021 1.235 186 HH22 ARG 24 HH22 ARG 24 1.892 -12.882 -0.259 187 H LYS 25 HN LYS 25 -2.491 -6.080 -2.717 188 HA LYS 25 HA LYS 25 -0.078 -6.929 -4.061 189 HB2 LYS 25 HB2 LYS 25 -1.795 -8.229 -4.841 190 HB3 LYS 25 HB1 LYS 25 -3.006 -7.007 -4.541 191 HG2 LYS 25 HG2 LYS 25 -2.822 -7.472 -6.899 192 HG3 LYS 25 HG1 LYS 25 -2.335 -5.819 -6.534 193 HD2 LYS 25 HD2 LYS 25 0.029 -6.514 -6.650 194 HD3 LYS 25 HD1 LYS 25 -0.486 -8.155 -7.050 195 HE2 LYS 25 HE2 LYS 25 -1.517 -7.374 -9.087 196 HE3 LYS 25 HE1 LYS 25 -1.153 -5.702 -8.671 197 HZ1 LYS 25 HZ1 LYS 25 0.897 -7.794 -9.142 198 HZ2 LYS 25 HZ2 LYS 25 1.172 -6.143 -8.900 199 HZ3 LYS 25 HZ3 LYS 25 0.393 -6.672 -10.301 200 H LEU 26 HN LEU 26 -2.427 -4.225 -3.854 201 HA LEU 26 HA LEU 26 -1.283 -2.723 -5.951 202 HB2 LEU 26 HB2 LEU 26 -3.553 -2.356 -5.272 203 HB3 LEU 26 HB1 LEU 26 -3.043 -1.918 -3.659 204 HG LEU 26 HG LEU 26 -3.770 -0.064 -5.270 205 HD11 LEU 26 HD11 LEU 26 -1.147 0.300 -3.893 206 HD12 LEU 26 HD12 LEU 26 -2.673 0.098 -3.033 207 HD13 LEU 26 HD13 LEU 26 -2.444 1.480 -4.112 208 HD21 LEU 26 HD21 LEU 26 -0.960 -0.455 -6.236 209 HD22 LEU 26 HD22 LEU 26 -2.034 0.886 -6.652 210 HD23 LEU 26 HD23 LEU 26 -2.423 -0.755 -7.174 211 H VAL 27 HN VAL 27 -0.960 -2.278 -2.381 212 HA VAL 27 HA VAL 27 0.873 -0.178 -2.523 213 HB VAL 27 HB VAL 27 -0.079 -0.705 -0.367 214 HG11 VAL 27 HG11 VAL 27 0.677 -2.731 0.882 215 HG12 VAL 27 HG12 VAL 27 1.360 -3.331 -0.634 216 HG13 VAL 27 HG13 VAL 27 -0.375 -3.059 -0.495 217 HG21 VAL 27 HG21 VAL 27 2.151 0.335 -0.370 218 HG22 VAL 27 HG22 VAL 27 2.889 -1.271 -0.316 219 HG23 VAL 27 HG23 VAL 27 1.913 -0.700 1.039 220 H LEU 28 HN LEU 28 1.253 -3.583 -2.653 221 HA LEU 28 HA LEU 28 4.026 -3.850 -2.699 222 HB2 LEU 28 HB2 LEU 28 1.925 -5.516 -2.679 223 HB3 LEU 28 HB1 LEU 28 2.323 -5.600 -4.378 224 HG LEU 28 HG LEU 28 4.477 -6.523 -3.906 225 HD11 LEU 28 HD11 LEU 28 5.162 -6.936 -1.562 226 HD12 LEU 28 HD12 LEU 28 3.797 -5.937 -1.041 227 HD13 LEU 28 HD13 LEU 28 5.096 -5.231 -2.003 228 HD21 LEU 28 HD21 LEU 28 2.245 -7.726 -2.279 229 HD22 LEU 28 HD22 LEU 28 3.791 -8.537 -2.557 230 HD23 LEU 28 HD23 LEU 28 2.737 -8.152 -3.921 231 H ASP 29 HN ASP 29 1.674 -3.438 -5.248 232 HA ASP 29 HA ASP 29 3.449 -3.705 -7.438 233 HB2 ASP 29 HB2 ASP 29 0.912 -3.937 -7.418 234 HB3 ASP 29 HB1 ASP 29 0.851 -2.182 -7.427 235 H GLN 30 HN GLN 30 2.087 -0.954 -5.702 236 HA GLN 30 HA GLN 30 3.278 1.097 -7.173 237 HB2 GLN 30 HB2 GLN 30 2.663 1.026 -4.240 238 HB3 GLN 30 HB1 GLN 30 2.836 2.462 -5.234 239 HG2 GLN 30 HG2 GLN 30 0.649 0.401 -5.390 240 HG3 GLN 30 HG1 GLN 30 0.528 2.075 -4.860 241 HE21 GLN 30 HE21 GLN 30 0.874 -0.055 -7.565 242 HE22 GLN 30 HE22 GLN 30 0.503 1.103 -8.797 243 H ALA 31 HN ALA 31 4.317 -0.605 -4.283 244 HA ALA 31 HA ALA 31 6.714 0.805 -3.817 245 HB1 ALA 31 HB1 ALA 31 6.061 -2.077 -3.192 246 HB2 ALA 31 HB2 ALA 31 5.599 -0.695 -2.194 247 HB3 ALA 31 HB3 ALA 31 7.306 -1.090 -2.416 248 H ALA 32 HN ALA 32 5.796 -1.741 -5.910 249 HA ALA 32 HA ALA 32 8.385 -2.616 -6.654 250 HB1 ALA 32 HB1 ALA 32 6.905 -3.458 -8.677 251 HB2 ALA 32 HB2 ALA 32 5.565 -2.973 -7.618 252 HB3 ALA 32 HB3 ALA 32 6.750 -4.179 -7.076 253 H SER 33 HN SER 33 6.012 -0.356 -7.963 254 HA SER 33 HA SER 33 7.424 0.368 -10.286 255 HB2 SER 33 HB2 SER 33 5.087 0.893 -10.065 256 HB3 SER 33 HB1 SER 33 5.383 1.824 -8.596 257 HG SER 33 HG SER 33 6.608 2.531 -11.046 258 H VAL 34 HN VAL 34 7.505 1.509 -6.976 259 HA VAL 34 HA VAL 34 9.164 3.745 -7.315 260 HB VAL 34 HB VAL 34 9.162 1.923 -4.923 261 HG11 VAL 34 HG11 VAL 34 9.498 4.077 -3.713 262 HG12 VAL 34 HG12 VAL 34 9.664 4.869 -5.279 263 HG13 VAL 34 HG13 VAL 34 10.822 3.632 -4.788 264 HG21 VAL 34 HG21 VAL 34 6.891 2.335 -5.515 265 HG22 VAL 34 HG22 VAL 34 7.189 4.073 -5.604 266 HG23 VAL 34 HG23 VAL 34 7.307 3.230 -4.060 267 H LEU 35 HN LEU 35 9.816 0.481 -6.198 268 HA LEU 35 HA LEU 35 12.546 0.891 -5.784 269 HB2 LEU 35 HB2 LEU 35 10.561 -1.184 -5.575 270 HB3 LEU 35 HB1 LEU 35 12.159 -1.816 -5.938 271 HG LEU 35 HG LEU 35 12.949 -1.320 -3.854 272 HD11 LEU 35 HD11 LEU 35 12.082 0.530 -2.432 273 HD12 LEU 35 HD12 LEU 35 11.027 1.009 -3.769 274 HD13 LEU 35 HD13 LEU 35 12.781 1.085 -3.952 275 HD21 LEU 35 HD21 LEU 35 11.226 -2.764 -3.342 276 HD22 LEU 35 HD22 LEU 35 9.986 -1.564 -3.717 277 HD23 LEU 35 HD23 LEU 35 10.948 -1.415 -2.239 278 H GLY 36 HN GLY 36 10.823 -0.248 -8.622 279 HA2 GLY 36 HA2 GLY 36 12.258 0.081 -10.681 280 HA3 GLY 36 HA1 GLY 36 13.444 -0.869 -9.800 281 H TYR 37 HN TYR 37 10.225 -1.783 -9.368 282 HA TYR 37 HA TYR 37 10.865 -4.303 -10.720 283 HB2 TYR 37 HB2 TYR 37 8.742 -3.762 -8.649 284 HB3 TYR 37 HB1 TYR 37 9.348 -5.323 -9.166 285 HD1 TYR 37 HD1 TYR 37 9.145 -4.315 -6.349 286 HD2 TYR 37 HD2 TYR 37 12.335 -4.195 -9.142 287 HE1 TYR 37 HE1 TYR 37 10.738 -4.295 -4.508 288 HE2 TYR 37 HE2 TYR 37 13.959 -4.149 -7.310 289 HH TYR 37 HH TYR 37 13.068 -4.810 -4.047 290 H ALA 38 HN ALA 38 8.915 -5.520 -11.524 291 HA ALA 38 HA ALA 38 6.889 -3.730 -12.686 292 HB1 ALA 38 HB1 ALA 38 8.673 -4.045 -14.351 293 HB2 ALA 38 HB2 ALA 38 7.144 -4.755 -14.871 294 HB3 ALA 38 HB3 ALA 38 8.433 -5.791 -14.256 295 H SER 39 HN SER 39 7.573 -6.453 -10.950 296 HA SER 39 HA SER 39 4.884 -7.482 -11.288 297 HB2 SER 39 HB2 SER 39 7.335 -9.186 -11.807 298 HB3 SER 39 HB1 SER 39 5.687 -9.806 -11.667 299 HG SER 39 HG SER 39 5.797 -7.766 -13.432 300 H THR 40 HN THR 40 6.438 -6.129 -9.249 301 HA THR 40 HA THR 40 7.133 -6.207 -7.086 302 HB THR 40 HB THR 40 5.637 -7.490 -5.547 303 HG1 THR 40 HG1 THR 40 5.113 -8.890 -7.747 304 HG21 THR 40 HG21 THR 40 4.354 -5.800 -7.687 305 HG22 THR 40 HG22 THR 40 5.055 -5.236 -6.166 306 HG23 THR 40 HG23 THR 40 3.586 -6.219 -6.156 307 H GLU 41 HN GLU 41 8.661 -7.770 -8.755 308 HA GLU 41 HA GLU 41 8.926 -10.454 -8.036 309 HB2 GLU 41 HB2 GLU 41 11.214 -10.216 -9.146 310 HB3 GLU 41 HB1 GLU 41 9.796 -9.848 -10.112 311 HG2 GLU 41 HG2 GLU 41 11.102 -7.597 -8.710 312 HG3 GLU 41 HG1 GLU 41 11.935 -8.300 -10.095 313 H SER 42 HN SER 42 10.633 -7.608 -6.787 314 HA SER 42 HA SER 42 12.131 -9.418 -5.030 315 HB2 SER 42 HB2 SER 42 12.855 -6.566 -5.718 316 HB3 SER 42 HB1 SER 42 13.877 -7.777 -4.944 317 HG SER 42 HG SER 42 13.932 -8.930 -6.864 318 H LEU 43 HN LEU 43 9.445 -8.514 -4.497 319 HA LEU 43 HA LEU 43 9.909 -6.821 -2.147 320 HB2 LEU 43 HB2 LEU 43 7.462 -7.376 -3.783 321 HB3 LEU 43 HB1 LEU 43 7.430 -6.482 -2.272 322 HG LEU 43 HG LEU 43 9.067 -5.664 -4.661 323 HD11 LEU 43 HD11 LEU 43 7.352 -3.983 -5.032 324 HD12 LEU 43 HD12 LEU 43 6.378 -4.698 -3.745 325 HD13 LEU 43 HD13 LEU 43 6.719 -5.620 -5.209 326 HD21 LEU 43 HD21 LEU 43 8.290 -4.275 -2.111 327 HD22 LEU 43 HD22 LEU 43 9.130 -3.516 -3.462 328 HD23 LEU 43 HD23 LEU 43 9.903 -4.823 -2.565 329 H ASP 44 HN ASP 44 8.404 -7.180 -0.354 330 HA ASP 44 HA ASP 44 7.391 -9.893 -0.023 331 HB2 ASP 44 HB2 ASP 44 9.809 -9.488 1.031 332 HB3 ASP 44 HB1 ASP 44 8.871 -8.673 2.272 333 H THR 45 HN THR 45 5.611 -9.943 1.373 334 HA THR 45 HA THR 45 4.607 -7.307 2.157 335 HB THR 45 HB THR 45 2.465 -8.572 2.602 336 HG1 THR 45 HG1 THR 45 3.721 -10.611 1.057 337 HG21 THR 45 HG21 THR 45 1.912 -8.787 0.190 338 HG22 THR 45 HG22 THR 45 3.618 -8.532 -0.178 339 HG23 THR 45 HG23 THR 45 2.686 -7.263 0.616 340 H HIS 46 HN HIS 46 6.220 -9.957 3.385 341 HA HIS 46 HA HIS 46 5.120 -9.639 6.079 342 HB2 HIS 46 HB2 HIS 46 7.130 -11.626 4.989 343 HB3 HIS 46 HB1 HIS 46 6.544 -11.597 6.642 344 HD1 HIS 46 HD1 HIS 46 4.944 -13.432 6.979 345 HD2 HIS 46 HD2 HIS 46 4.596 -11.749 3.201 346 HE1 HIS 46 HE1 HIS 46 3.099 -14.702 5.845 347 HE2 HIS 46 HE2 HIS 46 3.075 -13.821 3.489 348 H GLU 47 HN GLU 47 7.484 -8.345 4.149 349 HA GLU 47 HA GLU 47 9.253 -7.814 6.427 350 HB2 GLU 47 HB2 GLU 47 11.066 -8.260 5.186 351 HB3 GLU 47 HB1 GLU 47 9.955 -9.086 4.110 352 HG2 GLU 47 HG2 GLU 47 9.749 -6.940 2.830 353 HG3 GLU 47 HG1 GLU 47 11.048 -6.302 3.842 354 H SER 48 HN SER 48 10.156 -5.690 6.523 355 HA SER 48 HA SER 48 8.038 -3.813 5.917 356 HB2 SER 48 HB2 SER 48 10.568 -3.216 7.440 357 HB3 SER 48 HB1 SER 48 8.988 -2.452 7.579 358 HG SER 48 HG SER 48 8.538 -4.951 8.091 359 H PHE 49 HN PHE 49 8.311 -1.861 4.895 360 HA PHE 49 HA PHE 49 9.651 -1.831 2.486 361 HB2 PHE 49 HB2 PHE 49 8.727 0.529 4.107 362 HB3 PHE 49 HB1 PHE 49 9.166 0.587 2.406 363 HD1 PHE 49 HD1 PHE 49 7.699 -0.259 0.722 364 HD2 PHE 49 HD2 PHE 49 6.723 -0.595 4.839 365 HE1 PHE 49 HE1 PHE 49 5.381 -0.816 0.119 366 HE2 PHE 49 HE2 PHE 49 4.410 -1.148 4.250 367 HZ PHE 49 HZ PHE 49 3.735 -1.259 1.895 368 H LYS 50 HN LYS 50 10.724 -0.680 5.573 369 HA LYS 50 HA LYS 50 13.068 0.565 5.128 370 HB2 LYS 50 HB2 LYS 50 12.152 -0.158 7.309 371 HB3 LYS 50 HB1 LYS 50 12.633 -1.800 6.944 372 HG2 LYS 50 HG2 LYS 50 14.168 -0.686 8.478 373 HG3 LYS 50 HG1 LYS 50 14.949 -1.211 6.990 374 HD2 LYS 50 HD2 LYS 50 15.743 0.992 7.600 375 HD3 LYS 50 HD1 LYS 50 14.781 1.094 6.126 376 HE2 LYS 50 HE2 LYS 50 12.888 1.921 7.365 377 HE3 LYS 50 HE1 LYS 50 13.737 1.685 8.892 378 HZ1 LYS 50 HZ1 LYS 50 15.350 3.351 8.208 379 HZ2 LYS 50 HZ2 LYS 50 13.788 3.995 8.200 380 HZ3 LYS 50 HZ3 LYS 50 14.533 3.574 6.743 381 H ASP 51 HN ASP 51 12.668 -2.922 5.182 382 HA ASP 51 HA ASP 51 15.266 -3.528 4.224 383 HB2 ASP 51 HB2 ASP 51 13.687 -5.052 5.524 384 HB3 ASP 51 HB1 ASP 51 12.871 -5.333 3.993 385 H LEU 52 HN LEU 52 12.253 -2.823 2.669 386 HA LEU 52 HA LEU 52 12.870 -3.828 0.084 387 HB2 LEU 52 HB2 LEU 52 10.847 -1.900 1.158 388 HB3 LEU 52 HB1 LEU 52 11.017 -2.126 -0.556 389 HG LEU 52 HG LEU 52 10.426 -4.497 -0.323 390 HD11 LEU 52 HD11 LEU 52 11.263 -4.966 1.862 391 HD12 LEU 52 HD12 LEU 52 9.523 -5.269 1.838 392 HD13 LEU 52 HD13 LEU 52 10.153 -3.799 2.579 393 HD21 LEU 52 HD21 LEU 52 8.097 -4.220 0.386 394 HD22 LEU 52 HD22 LEU 52 8.623 -2.944 -0.719 395 HD23 LEU 52 HD23 LEU 52 8.494 -2.619 1.009 396 H GLY 53 HN GLY 53 13.742 -1.061 1.862 397 HA2 GLY 53 HA2 GLY 53 15.697 0.111 1.191 398 HA3 GLY 53 HA1 GLY 53 15.218 -0.094 -0.481 399 H PHE 54 HN PHE 54 12.610 0.785 1.546 400 HA PHE 54 HA PHE 54 12.507 3.365 0.321 401 HB2 PHE 54 HB2 PHE 54 10.737 2.039 2.381 402 HB3 PHE 54 HB1 PHE 54 10.448 3.646 1.725 403 HD1 PHE 54 HD1 PHE 54 9.676 3.971 -0.481 404 HD2 PHE 54 HD2 PHE 54 10.569 0.076 0.945 405 HE1 PHE 54 HE1 PHE 54 8.565 3.018 -2.435 406 HE2 PHE 54 HE2 PHE 54 9.460 -0.908 -1.004 407 HZ PHE 54 HZ PHE 54 8.468 0.560 -2.730 408 H ASP 55 HN ASP 55 12.185 5.351 1.504 409 HA ASP 55 HA ASP 55 13.196 5.732 4.131 410 HB2 ASP 55 HB2 ASP 55 15.281 5.300 2.547 411 HB3 ASP 55 HB1 ASP 55 14.979 6.965 2.058 412 H SER 56 HN SER 56 14.086 8.437 3.722 413 HA SER 56 HA SER 56 11.530 9.690 3.365 414 HB2 SER 56 HB2 SER 56 14.254 10.929 3.813 415 HB3 SER 56 HB1 SER 56 12.701 11.750 3.988 416 HG SER 56 HG SER 56 13.556 10.973 5.995 417 H LEU 57 HN LEU 57 12.389 8.445 1.019 418 HA LEU 57 HA LEU 57 12.278 10.649 -0.872 419 HB2 LEU 57 HB2 LEU 57 14.072 8.266 -1.156 420 HB3 LEU 57 HB1 LEU 57 13.931 9.590 -2.293 421 HG LEU 57 HG LEU 57 14.935 9.892 0.528 422 HD11 LEU 57 HD11 LEU 57 16.419 8.414 -0.696 423 HD12 LEU 57 HD12 LEU 57 17.182 9.985 -0.452 424 HD13 LEU 57 HD13 LEU 57 16.506 9.567 -2.027 425 HD21 LEU 57 HD21 LEU 57 14.072 11.932 -0.433 426 HD22 LEU 57 HD22 LEU 57 15.046 11.698 -1.884 427 HD23 LEU 57 HD23 LEU 57 15.830 12.017 -0.338 428 H THR 58 HN THR 58 12.638 7.118 -0.937 429 HA THR 58 HA THR 58 10.848 6.792 -3.114 430 HB THR 58 HB THR 58 11.031 4.318 -2.386 431 HG1 THR 58 HG1 THR 58 13.346 4.789 -1.062 432 HG21 THR 58 HG21 THR 58 13.257 4.133 -3.356 433 HG22 THR 58 HG22 THR 58 13.526 5.857 -3.100 434 HG23 THR 58 HG23 THR 58 12.292 5.316 -4.237 435 H ALA 59 HN ALA 59 10.547 6.294 0.374 436 HA ALA 59 HA ALA 59 8.020 5.162 0.440 437 HB1 ALA 59 HB1 ALA 59 9.118 7.177 2.408 438 HB2 ALA 59 HB2 ALA 59 9.534 5.465 2.402 439 HB3 ALA 59 HB3 ALA 59 7.871 5.966 2.714 440 H LEU 60 HN LEU 60 9.077 8.438 0.003 441 HA LEU 60 HA LEU 60 6.615 9.730 0.409 442 HB2 LEU 60 HB2 LEU 60 9.106 10.507 -1.087 443 HB3 LEU 60 HB1 LEU 60 7.724 11.578 -0.945 444 HG LEU 60 HG LEU 60 9.488 12.121 0.690 445 HD11 LEU 60 HD11 LEU 60 8.099 12.230 2.652 446 HD12 LEU 60 HD12 LEU 60 7.019 11.009 1.986 447 HD13 LEU 60 HD13 LEU 60 7.144 12.591 1.215 448 HD21 LEU 60 HD21 LEU 60 10.410 9.904 1.064 449 HD22 LEU 60 HD22 LEU 60 8.896 9.392 1.814 450 HD23 LEU 60 HD23 LEU 60 9.890 10.629 2.586 451 H GLU 61 HN GLU 61 8.238 8.624 -2.568 452 HA GLU 61 HA GLU 61 5.985 9.422 -4.170 453 HB2 GLU 61 HB2 GLU 61 7.129 7.927 -5.929 454 HB3 GLU 61 HB1 GLU 61 7.940 9.409 -5.428 455 HG2 GLU 61 HG2 GLU 61 9.383 8.118 -3.953 456 HG3 GLU 61 HG1 GLU 61 8.555 6.640 -4.433 457 H LEU 62 HN LEU 62 6.977 6.487 -2.543 458 HA LEU 62 HA LEU 62 5.025 4.786 -3.704 459 HB2 LEU 62 HB2 LEU 62 6.798 3.831 -2.399 460 HB3 LEU 62 HB1 LEU 62 6.296 4.734 -0.985 461 HG LEU 62 HG LEU 62 4.183 3.491 -0.929 462 HD11 LEU 62 HD11 LEU 62 3.911 3.017 -3.257 463 HD12 LEU 62 HD12 LEU 62 3.938 1.501 -2.351 464 HD13 LEU 62 HD13 LEU 62 5.359 2.011 -3.260 465 HD21 LEU 62 HD21 LEU 62 6.205 2.739 0.276 466 HD22 LEU 62 HD22 LEU 62 6.546 1.651 -1.070 467 HD23 LEU 62 HD23 LEU 62 5.074 1.447 -0.118 468 H ARG 63 HN ARG 63 5.030 6.750 -0.768 469 HA ARG 63 HA ARG 63 2.449 6.196 0.142 470 HB2 ARG 63 HB2 ARG 63 3.888 7.412 1.575 471 HB3 ARG 63 HB1 ARG 63 4.293 8.577 0.324 472 HG2 ARG 63 HG2 ARG 63 1.646 9.018 0.522 473 HG3 ARG 63 HG1 ARG 63 2.010 8.514 2.175 474 HD2 ARG 63 HD2 ARG 63 2.199 10.948 1.881 475 HD3 ARG 63 HD1 ARG 63 3.729 10.211 2.346 476 HE ARG 63 HE ARG 63 4.498 10.499 0.096 477 HH11 ARG 63 HH11 ARG 63 1.463 12.106 0.818 478 HH12 ARG 63 HH12 ARG 63 1.603 13.223 -0.506 479 HH21 ARG 63 HH21 ARG 63 4.671 11.974 -1.642 480 HH22 ARG 63 HH22 ARG 63 3.411 13.142 -1.900 481 H ASP 64 HN ASP 64 3.768 8.606 -2.031 482 HA ASP 64 HA ASP 64 1.471 9.908 -2.840 483 HB2 ASP 64 HB2 ASP 64 3.854 10.516 -3.333 484 HB3 ASP 64 HB1 ASP 64 3.841 9.264 -4.563 485 H HIS 65 HN HIS 65 2.988 6.957 -4.071 486 HA HIS 65 HA HIS 65 1.262 6.479 -6.223 487 HB2 HIS 65 HB2 HIS 65 2.843 4.614 -4.495 488 HB3 HIS 65 HB1 HIS 65 1.926 4.073 -5.878 489 HD1 HIS 65 HD1 HIS 65 2.937 6.732 -7.593 490 HD2 HIS 65 HD2 HIS 65 5.173 3.844 -5.657 491 HE1 HIS 65 HE1 HIS 65 5.205 6.745 -8.709 492 HE2 HIS 65 HE2 HIS 65 6.498 4.928 -7.591 493 H LEU 66 HN LEU 66 1.043 5.541 -2.789 494 HA LEU 66 HA LEU 66 -1.142 3.776 -3.151 495 HB2 LEU 66 HB2 LEU 66 0.056 5.194 -0.822 496 HB3 LEU 66 HB1 LEU 66 -1.465 4.356 -0.625 497 HG LEU 66 HG LEU 66 -0.508 2.271 -0.785 498 HD11 LEU 66 HD11 LEU 66 1.629 1.776 -1.873 499 HD12 LEU 66 HD12 LEU 66 1.802 3.480 -2.296 500 HD13 LEU 66 HD13 LEU 66 0.488 2.526 -2.984 501 HD21 LEU 66 HD21 LEU 66 1.625 2.298 0.453 502 HD22 LEU 66 HD22 LEU 66 0.393 3.339 1.164 503 HD23 LEU 66 HD23 LEU 66 1.701 4.045 0.216 504 H GLN 67 HN GLN 67 -0.935 7.185 -2.364 505 HA GLN 67 HA GLN 67 -3.728 7.541 -1.863 506 HB2 GLN 67 HB2 GLN 67 -1.877 9.706 -2.802 507 HB3 GLN 67 HB1 GLN 67 -3.253 9.839 -1.712 508 HG2 GLN 67 HG2 GLN 67 -2.100 8.922 0.063 509 HG3 GLN 67 HG1 GLN 67 -0.918 8.160 -1.004 510 HE21 GLN 67 HE21 GLN 67 -0.428 10.483 -2.587 511 HE22 GLN 67 HE22 GLN 67 0.505 11.552 -1.619 512 H THR 68 HN THR 68 -1.632 7.840 -4.658 513 HA THR 68 HA THR 68 -3.568 8.838 -6.433 514 HB THR 68 HB THR 68 -0.870 7.629 -6.530 515 HG1 THR 68 HG1 THR 68 -1.542 9.971 -6.380 516 HG21 THR 68 HG21 THR 68 -2.555 7.956 -9.012 517 HG22 THR 68 HG22 THR 68 -1.956 6.438 -8.341 518 HG23 THR 68 HG23 THR 68 -0.821 7.626 -8.981 519 H ALA 69 HN ALA 69 -2.301 5.674 -5.727 520 HA ALA 69 HA ALA 69 -3.857 4.112 -7.385 521 HB1 ALA 69 HB1 ALA 69 -1.907 3.299 -6.243 522 HB2 ALA 69 HB2 ALA 69 -3.301 2.289 -5.851 523 HB3 ALA 69 HB3 ALA 69 -2.716 3.483 -4.689 524 H THR 70 HN THR 70 -4.488 5.037 -3.997 525 HA THR 70 HA THR 70 -6.990 3.545 -4.079 526 HB THR 70 HB THR 70 -7.128 3.958 -1.673 527 HG1 THR 70 HG1 THR 70 -4.637 5.311 -1.802 528 HG21 THR 70 HG21 THR 70 -5.694 2.122 -2.505 529 HG22 THR 70 HG22 THR 70 -5.121 2.791 -0.978 530 HG23 THR 70 HG23 THR 70 -4.316 3.227 -2.485 531 H GLY 71 HN GLY 71 -5.832 6.815 -3.844 532 HA2 GLY 71 HA2 GLY 71 -7.025 8.761 -4.392 533 HA3 GLY 71 HA1 GLY 71 -8.527 7.846 -4.303 534 H LEU 72 HN LEU 72 -6.612 7.097 -1.721 535 HA LEU 72 HA LEU 72 -8.272 8.720 0.055 536 HB2 LEU 72 HB2 LEU 72 -6.670 6.199 0.396 537 HB3 LEU 72 HB1 LEU 72 -7.230 7.108 1.783 538 HG LEU 72 HG LEU 72 -8.677 5.183 1.235 539 HD11 LEU 72 HD11 LEU 72 -10.044 7.838 0.852 540 HD12 LEU 72 HD12 LEU 72 -9.588 7.133 2.403 541 HD13 LEU 72 HD13 LEU 72 -10.795 6.336 1.397 542 HD21 LEU 72 HD21 LEU 72 -8.453 5.157 -1.177 543 HD22 LEU 72 HD22 LEU 72 -9.305 6.694 -1.288 544 HD23 LEU 72 HD23 LEU 72 -10.147 5.256 -0.706 545 H ASN 73 HN ASN 73 -6.704 8.821 2.315 546 HA ASN 73 HA ASN 73 -4.607 10.654 1.366 547 HB2 ASN 73 HB2 ASN 73 -6.643 11.799 2.262 548 HB3 ASN 73 HB1 ASN 73 -6.335 11.033 3.818 549 HD21 ASN 73 HD21 ASN 73 -5.274 13.422 1.541 550 HD22 ASN 73 HD22 ASN 73 -4.169 14.235 2.592 551 H LEU 74 HN LEU 74 -2.831 9.441 1.704 552 HA LEU 74 HA LEU 74 -2.461 8.202 4.311 553 HB2 LEU 74 HB2 LEU 74 -0.931 7.875 1.736 554 HB3 LEU 74 HB1 LEU 74 -0.555 7.049 3.240 555 HG LEU 74 HG LEU 74 -3.038 6.214 3.051 556 HD11 LEU 74 HD11 LEU 74 -3.566 7.612 1.072 557 HD12 LEU 74 HD12 LEU 74 -3.826 5.890 0.799 558 HD13 LEU 74 HD13 LEU 74 -2.387 6.684 0.143 559 HD21 LEU 74 HD21 LEU 74 -2.199 4.303 1.671 560 HD22 LEU 74 HD22 LEU 74 -1.244 4.701 3.097 561 HD23 LEU 74 HD23 LEU 74 -0.688 5.194 1.496 562 H SER 75 HN SER 75 0.521 8.311 4.249 563 HA SER 75 HA SER 75 0.804 11.161 4.800 564 HB2 SER 75 HB2 SER 75 -0.295 10.075 6.807 565 HB3 SER 75 HB1 SER 75 1.210 9.187 7.043 566 HG SER 75 HG SER 75 0.874 12.012 7.041 567 H SER 76 HN SER 76 3.020 11.628 5.820 568 HA SER 76 HA SER 76 4.863 11.062 3.837 569 HB2 SER 76 HB2 SER 76 5.534 11.947 6.642 570 HB3 SER 76 HB1 SER 76 6.416 12.307 5.157 571 HG SER 76 HG SER 76 5.054 14.044 5.842 572 H THR 77 HN THR 77 4.678 9.614 7.088 573 HA THR 77 HA THR 77 6.834 7.765 6.301 574 HB THR 77 HB THR 77 7.066 7.340 8.782 575 HG1 THR 77 HG1 THR 77 6.101 9.702 9.597 576 HG21 THR 77 HG21 THR 77 8.318 9.434 9.189 577 HG22 THR 77 HG22 THR 77 7.572 10.125 7.746 578 HG23 THR 77 HG23 THR 77 8.647 8.737 7.603 579 H LEU 78 HN LEU 78 4.252 7.544 5.463 580 HA LEU 78 HA LEU 78 2.389 6.051 6.775 581 HB2 LEU 78 HB2 LEU 78 2.217 7.106 4.560 582 HB3 LEU 78 HB1 LEU 78 3.266 5.880 3.911 583 HG LEU 78 HG LEU 78 0.658 5.808 3.612 584 HD11 LEU 78 HD11 LEU 78 2.476 3.471 4.037 585 HD12 LEU 78 HD12 LEU 78 2.053 4.277 2.513 586 HD13 LEU 78 HD13 LEU 78 0.840 3.336 3.391 587 HD21 LEU 78 HD21 LEU 78 1.139 4.699 6.332 588 HD22 LEU 78 HD22 LEU 78 -0.129 4.017 5.309 589 HD23 LEU 78 HD23 LEU 78 -0.170 5.728 5.739 590 H ILE 79 HN ILE 79 4.866 4.685 4.620 591 HA ILE 79 HA ILE 79 4.326 1.990 5.447 592 HB ILE 79 HB ILE 79 6.120 1.383 3.953 593 HG12 ILE 79 HG12 ILE 79 6.762 4.319 4.001 594 HG13 ILE 79 HG11 ILE 79 7.818 2.974 4.421 595 HG21 ILE 79 HG21 ILE 79 4.454 3.644 2.872 596 HG22 ILE 79 HG22 ILE 79 4.036 1.925 2.889 597 HG23 ILE 79 HG23 ILE 79 5.379 2.500 1.897 598 HD11 ILE 79 HD11 ILE 79 7.619 2.252 2.018 599 HD12 ILE 79 HD12 ILE 79 8.510 3.743 2.321 600 HD13 ILE 79 HD13 ILE 79 6.852 3.818 1.722 601 H PHE 80 HN PHE 80 5.796 4.294 7.143 602 HA PHE 80 HA PHE 80 7.632 2.374 8.394 603 HB2 PHE 80 HB2 PHE 80 7.787 5.394 8.346 604 HB3 PHE 80 HB1 PHE 80 8.878 4.346 9.252 605 HD1 PHE 80 HD1 PHE 80 9.023 6.354 6.642 606 HD2 PHE 80 HD2 PHE 80 9.422 2.188 7.405 607 HE1 PHE 80 HE1 PHE 80 10.406 6.115 4.624 608 HE2 PHE 80 HE2 PHE 80 10.805 1.932 5.388 609 HZ PHE 80 HZ PHE 80 11.306 3.908 3.997 610 H ASP 81 HN ASP 81 4.809 4.060 8.536 611 HA ASP 81 HA ASP 81 4.465 3.924 11.404 612 HB2 ASP 81 HB2 ASP 81 3.326 5.577 9.666 613 HB3 ASP 81 HB1 ASP 81 2.239 4.225 9.459 614 H HIS 82 HN HIS 82 3.568 2.391 8.449 615 HA HIS 82 HA HIS 82 2.637 0.005 9.861 616 HB2 HIS 82 HB2 HIS 82 1.758 0.933 7.117 617 HB3 HIS 82 HB1 HIS 82 1.045 -0.341 8.091 618 HD1 HIS 82 HD1 HIS 82 -0.417 0.405 10.144 619 HD2 HIS 82 HD2 HIS 82 0.973 3.516 7.752 620 HE1 HIS 82 HE1 HIS 82 -1.667 2.447 10.898 621 HE2 HIS 82 HE2 HIS 82 -0.620 4.347 9.617 622 HA PRO 83 HA PRO 83 6.610 -0.910 8.404 623 HB2 PRO 83 HB2 PRO 83 6.667 -3.575 9.067 624 HB3 PRO 83 HB1 PRO 83 6.885 -2.257 10.222 625 HG2 PRO 83 HG2 PRO 83 4.416 -3.837 9.591 626 HG3 PRO 83 HG1 PRO 83 5.050 -3.330 11.172 627 HD2 PRO 83 HD2 PRO 83 3.033 -2.012 9.985 628 HD3 PRO 83 HD1 PRO 83 4.267 -1.157 10.918 629 H THR 84 HN THR 84 4.054 -3.162 7.365 630 HA THR 84 HA THR 84 5.756 -3.819 5.078 631 HB THR 84 HB THR 84 4.670 -6.018 5.056 632 HG1 THR 84 HG1 THR 84 3.611 -6.230 7.429 633 HG21 THR 84 HG21 THR 84 5.848 -5.322 7.754 634 HG22 THR 84 HG22 THR 84 6.772 -5.707 6.303 635 HG23 THR 84 HG23 THR 84 5.746 -6.937 7.047 636 HA PRO 85 HA PRO 85 2.488 -2.616 2.318 637 HB2 PRO 85 HB2 PRO 85 2.840 -5.237 0.991 638 HB3 PRO 85 HB1 PRO 85 2.973 -3.618 0.308 639 HG2 PRO 85 HG2 PRO 85 5.131 -5.154 0.755 640 HG3 PRO 85 HG1 PRO 85 5.175 -3.389 0.922 641 HD2 PRO 85 HD2 PRO 85 5.096 -5.484 3.026 642 HD3 PRO 85 HD1 PRO 85 5.888 -3.903 3.040 643 H HIS 86 HN HIS 86 2.624 -5.499 4.072 644 HA HIS 86 HA HIS 86 -0.098 -6.331 3.693 645 HB2 HIS 86 HB2 HIS 86 1.176 -8.091 4.446 646 HB3 HIS 86 HB1 HIS 86 2.193 -7.070 5.438 647 HD1 HIS 86 HD1 HIS 86 -0.707 -9.326 5.616 648 HD2 HIS 86 HD2 HIS 86 1.010 -6.360 7.971 649 HE1 HIS 86 HE1 HIS 86 -1.640 -9.677 7.923 650 HE2 HIS 86 HE2 HIS 86 -0.759 -7.736 9.266 651 H ALA 87 HN ALA 87 1.726 -4.566 6.134 652 HA ALA 87 HA ALA 87 -0.498 -4.052 7.846 653 HB1 ALA 87 HB1 ALA 87 1.028 -2.603 9.063 654 HB2 ALA 87 HB2 ALA 87 2.168 -2.642 7.718 655 HB3 ALA 87 HB3 ALA 87 1.844 -4.110 8.646 656 H VAL 88 HN VAL 88 0.822 -2.655 5.086 657 HA VAL 88 HA VAL 88 -0.354 -0.040 5.488 658 HB VAL 88 HB VAL 88 1.157 -1.284 3.214 659 HG11 VAL 88 HG11 VAL 88 -0.389 0.260 2.263 660 HG12 VAL 88 HG12 VAL 88 1.220 0.986 2.233 661 HG13 VAL 88 HG13 VAL 88 0.045 1.491 3.446 662 HG21 VAL 88 HG21 VAL 88 1.912 0.854 5.196 663 HG22 VAL 88 HG22 VAL 88 2.904 0.335 3.832 664 HG23 VAL 88 HG23 VAL 88 2.535 -0.799 5.132 665 H ALA 89 HN ALA 89 -0.804 -2.840 3.377 666 HA ALA 89 HA ALA 89 -2.930 -1.782 1.901 667 HB1 ALA 89 HB1 ALA 89 -2.357 -4.655 2.603 668 HB2 ALA 89 HB2 ALA 89 -1.817 -3.779 1.169 669 HB3 ALA 89 HB3 ALA 89 -3.531 -4.119 1.398 670 H GLU 90 HN GLU 90 -2.918 -3.566 5.021 671 HA GLU 90 HA GLU 90 -5.777 -3.564 5.175 672 HB2 GLU 90 HB2 GLU 90 -5.335 -4.087 7.612 673 HB3 GLU 90 HB1 GLU 90 -4.640 -5.209 6.449 674 HG2 GLU 90 HG2 GLU 90 -2.489 -4.060 6.659 675 HG3 GLU 90 HG1 GLU 90 -3.184 -3.013 7.889 676 H HIS 91 HN HIS 91 -3.222 -1.406 6.078 677 HA HIS 91 HA HIS 91 -4.709 0.415 7.580 678 HB2 HIS 91 HB2 HIS 91 -2.359 0.623 7.693 679 HB3 HIS 91 HB1 HIS 91 -2.196 0.675 5.937 680 HD1 HIS 91 HD1 HIS 91 -3.549 2.807 8.784 681 HD2 HIS 91 HD2 HIS 91 -2.138 3.145 4.892 682 HE1 HIS 91 HE1 HIS 91 -3.446 5.276 8.320 683 HE2 HIS 91 HE2 HIS 91 -2.765 5.455 5.906 684 H LEU 92 HN LEU 92 -4.535 -0.222 4.199 685 HA LEU 92 HA LEU 92 -5.682 2.263 3.389 686 HB2 LEU 92 HB2 LEU 92 -4.865 -0.261 2.061 687 HB3 LEU 92 HB1 LEU 92 -6.095 0.705 1.255 688 HG LEU 92 HG LEU 92 -4.650 2.489 0.890 689 HD11 LEU 92 HD11 LEU 92 -3.052 1.387 3.169 690 HD12 LEU 92 HD12 LEU 92 -3.750 3.001 2.978 691 HD13 LEU 92 HD13 LEU 92 -2.346 2.519 2.022 692 HD21 LEU 92 HD21 LEU 92 -2.625 1.573 -0.079 693 HD22 LEU 92 HD22 LEU 92 -4.016 0.553 -0.449 694 HD23 LEU 92 HD23 LEU 92 -2.874 0.067 0.805 695 H LEU 93 HN LEU 93 -6.878 -0.537 4.781 696 HA LEU 93 HA LEU 93 -9.563 -0.404 3.723 697 HB2 LEU 93 HB2 LEU 93 -8.369 -1.849 6.063 698 HB3 LEU 93 HB1 LEU 93 -10.090 -1.857 5.746 699 HG LEU 93 HG LEU 93 -9.865 -3.207 3.862 700 HD11 LEU 93 HD11 LEU 93 -6.934 -2.497 3.852 701 HD12 LEU 93 HD12 LEU 93 -8.151 -1.999 2.675 702 HD13 LEU 93 HD13 LEU 93 -7.686 -3.697 2.792 703 HD21 LEU 93 HD21 LEU 93 -9.352 -4.330 5.997 704 HD22 LEU 93 HD22 LEU 93 -7.632 -4.067 5.686 705 HD23 LEU 93 HD23 LEU 93 -8.584 -5.093 4.607 706 H GLU 94 HN GLU 94 -7.736 0.764 6.374 707 HA GLU 94 HA GLU 94 -9.747 1.680 8.085 708 HB2 GLU 94 HB2 GLU 94 -6.935 2.567 7.514 709 HB3 GLU 94 HB1 GLU 94 -7.895 3.281 8.814 710 HG2 GLU 94 HG2 GLU 94 -6.956 0.438 8.538 711 HG3 GLU 94 HG1 GLU 94 -6.502 1.613 9.771 712 H GLN 95 HN GLN 95 -8.471 2.903 5.123 713 HA GLN 95 HA GLN 95 -9.489 5.571 5.385 714 HB2 GLN 95 HB2 GLN 95 -8.631 4.199 2.856 715 HB3 GLN 95 HB1 GLN 95 -8.467 5.896 3.291 716 HG2 GLN 95 HG2 GLN 95 -6.987 3.661 4.638 717 HG3 GLN 95 HG1 GLN 95 -6.345 4.605 3.304 718 HE21 GLN 95 HE21 GLN 95 -5.484 4.283 6.070 719 HE22 GLN 95 HE22 GLN 95 -5.381 5.883 6.720 720 H ILE 96 HN ILE 96 -10.675 2.532 4.445 721 HA ILE 96 HA ILE 96 -12.380 3.355 2.321 722 HB ILE 96 HB ILE 96 -12.193 0.775 3.842 723 HG12 ILE 96 HG12 ILE 96 -10.107 1.580 2.854 724 HG13 ILE 96 HG11 ILE 96 -10.668 0.112 2.092 725 HG21 ILE 96 HG21 ILE 96 -13.245 1.169 1.064 726 HG22 ILE 96 HG22 ILE 96 -14.276 1.046 2.490 727 HG23 ILE 96 HG23 ILE 96 -13.250 -0.310 2.024 728 HD11 ILE 96 HD11 ILE 96 -9.762 1.807 0.522 729 HD12 ILE 96 HD12 ILE 96 -11.095 2.873 0.981 730 HD13 ILE 96 HD13 ILE 96 -11.429 1.339 0.177 731 HA PRO 97 HA PRO 97 -15.868 4.645 4.558 732 HB2 PRO 97 HB2 PRO 97 -17.646 4.679 2.575 733 HB3 PRO 97 HB1 PRO 97 -16.231 5.740 2.556 734 HG2 PRO 97 HG2 PRO 97 -16.600 3.091 1.205 735 HG3 PRO 97 HG1 PRO 97 -16.025 4.609 0.507 736 HD2 PRO 97 HD2 PRO 97 -14.342 2.681 1.321 737 HD3 PRO 97 HD1 PRO 97 -13.946 4.393 1.457 738 H GLY 98 HN GLY 98 -15.962 2.587 5.875 739 HA2 GLY 98 HA2 GLY 98 -17.549 1.296 6.967 740 HA3 GLY 98 HA1 GLY 98 -18.673 1.642 5.666 741 H ILE 99 HN ILE 99 -17.665 0.595 3.481 742 HA ILE 99 HA ILE 99 -18.087 -2.147 3.601 743 HB ILE 99 HB ILE 99 -16.563 -2.056 1.418 744 HG12 ILE 99 HG12 ILE 99 -17.569 0.728 1.294 745 HG13 ILE 99 HG11 ILE 99 -16.138 0.449 2.283 746 HG21 ILE 99 HG21 ILE 99 -19.325 -0.875 1.629 747 HG22 ILE 99 HG22 ILE 99 -18.925 -2.585 1.453 748 HG23 ILE 99 HG23 ILE 99 -18.565 -1.456 0.148 749 HD11 ILE 99 HD11 ILE 99 -15.517 1.112 0.058 750 HD12 ILE 99 HD12 ILE 99 -16.443 -0.229 -0.630 751 HD13 ILE 99 HD13 ILE 99 -15.017 -0.553 0.367 752 H GLY 100 HN GLY 100 -15.170 -0.357 4.162 753 HA2 GLY 100 HA2 GLY 100 -13.579 -2.807 4.108 754 HA3 GLY 100 HA1 GLY 100 -12.955 -1.162 4.114 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 -7.109 12.302 -0.485 2 H2 GLY 1 HT2 GLY 1 -8.199 11.228 -1.207 3 H3 GLY 1 HT3 GLY 1 -8.666 12.122 0.152 4 HA2 GLY 1 HA1 GLY 1 -8.486 14.177 -1.093 5 HA3 GLY 1 HA2 GLY 1 -7.993 13.253 -2.504 6 H SER 2 HN SER 2 -9.753 13.978 -3.731 7 HA SER 2 HA SER 2 -12.444 13.499 -2.780 8 HB2 SER 2 HB2 SER 2 -12.961 14.334 -5.185 9 HB3 SER 2 HB1 SER 2 -12.279 15.476 -4.028 10 HG SER 2 HG SER 2 -11.317 14.854 -6.378 11 H THR 3 HN THR 3 -10.058 11.866 -4.618 12 HA THR 3 HA THR 3 -11.851 10.145 -6.058 13 HB THR 3 HB THR 3 -8.926 9.655 -5.487 14 HG1 THR 3 HG1 THR 3 -10.137 11.628 -6.974 15 HG21 THR 3 HG21 THR 3 -10.157 7.797 -6.519 16 HG22 THR 3 HG22 THR 3 -8.979 8.487 -7.634 17 HG23 THR 3 HG23 THR 3 -10.689 8.874 -7.812 18 H ALA 4 HN ALA 4 -12.431 8.046 -5.552 19 HA ALA 4 HA ALA 4 -11.225 6.533 -3.452 20 HB1 ALA 4 HB1 ALA 4 -12.537 8.015 -2.026 21 HB2 ALA 4 HB2 ALA 4 -13.192 6.379 -1.977 22 HB3 ALA 4 HB3 ALA 4 -13.998 7.624 -2.930 23 H THR 5 HN THR 5 -14.283 6.993 -5.210 24 HA THR 5 HA THR 5 -15.144 4.405 -5.482 25 HB THR 5 HB THR 5 -15.239 6.394 -7.744 26 HG1 THR 5 HG1 THR 5 -17.372 6.496 -6.077 27 HG21 THR 5 HG21 THR 5 -17.203 4.307 -6.786 28 HG22 THR 5 HG22 THR 5 -16.165 4.163 -8.204 29 HG23 THR 5 HG23 THR 5 -17.432 5.388 -8.158 30 H LEU 6 HN LEU 6 -12.422 5.864 -6.971 31 HA LEU 6 HA LEU 6 -11.831 4.123 -9.033 32 HB2 LEU 6 HB2 LEU 6 -10.464 6.034 -8.732 33 HB3 LEU 6 HB1 LEU 6 -10.111 5.606 -7.070 34 HG LEU 6 HG LEU 6 -8.708 3.755 -7.810 35 HD11 LEU 6 HD11 LEU 6 -8.156 3.483 -10.182 36 HD12 LEU 6 HD12 LEU 6 -9.346 4.714 -10.602 37 HD13 LEU 6 HD13 LEU 6 -9.869 3.193 -9.880 38 HD21 LEU 6 HD21 LEU 6 -6.896 5.079 -8.734 39 HD22 LEU 6 HD22 LEU 6 -7.754 5.988 -7.489 40 HD23 LEU 6 HD23 LEU 6 -8.031 6.348 -9.192 41 H LEU 7 HN LEU 7 -10.513 3.873 -5.726 42 HA LEU 7 HA LEU 7 -9.907 1.086 -6.201 43 HB2 LEU 7 HB2 LEU 7 -8.836 3.108 -4.586 44 HB3 LEU 7 HB1 LEU 7 -9.540 1.943 -3.478 45 HG LEU 7 HG LEU 7 -7.141 1.500 -3.970 46 HD11 LEU 7 HD11 LEU 7 -8.769 -0.213 -3.219 47 HD12 LEU 7 HD12 LEU 7 -7.441 -0.876 -4.176 48 HD13 LEU 7 HD13 LEU 7 -9.036 -0.650 -4.908 49 HD21 LEU 7 HD21 LEU 7 -6.457 0.685 -6.089 50 HD22 LEU 7 HD22 LEU 7 -7.347 2.180 -6.402 51 HD23 LEU 7 HD23 LEU 7 -8.116 0.618 -6.677 52 H THR 8 HN THR 8 -12.187 3.000 -4.452 53 HA THR 8 HA THR 8 -13.185 1.137 -2.637 54 HB THR 8 HB THR 8 -14.413 3.492 -4.007 55 HG1 THR 8 HG1 THR 8 -12.845 3.958 -2.468 56 HG21 THR 8 HG21 THR 8 -16.280 2.022 -3.493 57 HG22 THR 8 HG22 THR 8 -16.272 3.395 -2.385 58 HG23 THR 8 HG23 THR 8 -15.690 1.823 -1.846 59 H SER 9 HN SER 9 -13.858 1.558 -6.053 60 HA SER 9 HA SER 9 -16.083 -0.184 -6.221 61 HB2 SER 9 HB2 SER 9 -14.047 0.788 -8.219 62 HB3 SER 9 HB1 SER 9 -15.351 -0.317 -8.678 63 HG SER 9 HG SER 9 -15.413 2.374 -7.998 64 H LYS 10 HN LYS 10 -12.661 -0.670 -6.027 65 HA LYS 10 HA LYS 10 -12.596 -3.415 -6.779 66 HB2 LYS 10 HB2 LYS 10 -10.578 -1.889 -6.628 67 HB3 LYS 10 HB1 LYS 10 -10.745 -1.960 -4.877 68 HG2 LYS 10 HG2 LYS 10 -9.030 -3.470 -5.534 69 HG3 LYS 10 HG1 LYS 10 -10.419 -4.402 -4.985 70 HD2 LYS 10 HD2 LYS 10 -10.337 -3.835 -7.873 71 HD3 LYS 10 HD1 LYS 10 -9.069 -4.902 -7.273 72 HE2 LYS 10 HE2 LYS 10 -10.707 -6.402 -6.347 73 HE3 LYS 10 HE1 LYS 10 -12.015 -5.297 -6.764 74 HZ1 LYS 10 HZ1 LYS 10 -10.229 -6.596 -8.743 75 HZ2 LYS 10 HZ2 LYS 10 -11.604 -5.664 -9.074 76 HZ3 LYS 10 HZ3 LYS 10 -11.762 -7.167 -8.320 77 H LEU 11 HN LEU 11 -12.382 -1.818 -3.620 78 HA LEU 11 HA LEU 11 -12.428 -4.166 -2.098 79 HB2 LEU 11 HB2 LEU 11 -13.334 -1.427 -1.237 80 HB3 LEU 11 HB1 LEU 11 -12.951 -2.755 -0.169 81 HG LEU 11 HG LEU 11 -11.002 -1.596 -0.020 82 HD11 LEU 11 HD11 LEU 11 -10.536 -3.833 -0.968 83 HD12 LEU 11 HD12 LEU 11 -9.301 -2.631 -1.362 84 HD13 LEU 11 HD13 LEU 11 -10.496 -3.100 -2.578 85 HD21 LEU 11 HD21 LEU 11 -11.850 0.141 -1.650 86 HD22 LEU 11 HD22 LEU 11 -11.081 -0.813 -2.923 87 HD23 LEU 11 HD23 LEU 11 -10.105 -0.120 -1.626 88 H ALA 12 HN ALA 12 -15.008 -2.309 -3.451 89 HA ALA 12 HA ALA 12 -17.157 -3.250 -1.932 90 HB1 ALA 12 HB1 ALA 12 -18.537 -2.617 -3.830 91 HB2 ALA 12 HB2 ALA 12 -17.107 -2.549 -4.863 92 HB3 ALA 12 HB3 ALA 12 -17.293 -1.399 -3.537 93 H GLY 13 HN GLY 13 -15.233 -4.780 -4.369 94 HA2 GLY 13 HA2 GLY 13 -17.119 -6.969 -4.743 95 HA3 GLY 13 HA1 GLY 13 -15.568 -6.767 -5.547 96 H LEU 14 HN LEU 14 -14.634 -6.170 -2.593 97 HA LEU 14 HA LEU 14 -13.998 -8.968 -2.018 98 HB2 LEU 14 HB2 LEU 14 -12.700 -6.411 -1.183 99 HB3 LEU 14 HB1 LEU 14 -12.250 -7.949 -0.540 100 HG LEU 14 HG LEU 14 -10.670 -7.834 -2.108 101 HD11 LEU 14 HD11 LEU 14 -12.960 -8.651 -3.872 102 HD12 LEU 14 HD12 LEU 14 -12.086 -9.710 -2.761 103 HD13 LEU 14 HD13 LEU 14 -11.249 -8.991 -4.142 104 HD21 LEU 14 HD21 LEU 14 -11.165 -5.578 -2.685 105 HD22 LEU 14 HD22 LEU 14 -12.526 -6.086 -3.686 106 HD23 LEU 14 HD23 LEU 14 -10.879 -6.498 -4.163 107 H THR 15 HN THR 15 -13.610 -9.425 0.241 108 HA THR 15 HA THR 15 -15.399 -8.041 2.101 109 HB THR 15 HB THR 15 -15.105 -9.968 3.533 110 HG1 THR 15 HG1 THR 15 -13.659 -11.715 2.482 111 HG21 THR 15 HG21 THR 15 -15.858 -11.810 2.070 112 HG22 THR 15 HG22 THR 15 -15.371 -10.864 0.658 113 HG23 THR 15 HG23 THR 15 -16.683 -10.295 1.693 114 H ALA 16 HN ALA 16 -14.244 -7.680 4.321 115 HA ALA 16 HA ALA 16 -12.224 -5.854 4.033 116 HB1 ALA 16 HB1 ALA 16 -11.760 -6.139 6.419 117 HB2 ALA 16 HB2 ALA 16 -12.649 -7.663 6.416 118 HB3 ALA 16 HB3 ALA 16 -13.494 -6.148 6.100 119 H THR 17 HN THR 17 -11.841 -9.330 4.561 120 HA THR 17 HA THR 17 -9.039 -9.333 4.842 121 HB THR 17 HB THR 17 -10.854 -11.563 3.915 122 HG1 THR 17 HG1 THR 17 -11.544 -11.144 5.927 123 HG21 THR 17 HG21 THR 17 -8.090 -11.647 5.120 124 HG22 THR 17 HG22 THR 17 -8.488 -11.975 3.434 125 HG23 THR 17 HG23 THR 17 -9.083 -13.044 4.706 126 H GLU 18 HN GLU 18 -11.108 -9.855 1.969 127 HA GLU 18 HA GLU 18 -8.907 -10.344 0.270 128 HB2 GLU 18 HB2 GLU 18 -11.761 -9.608 -0.320 129 HB3 GLU 18 HB1 GLU 18 -10.594 -10.144 -1.506 130 HG2 GLU 18 HG2 GLU 18 -10.425 -12.285 -0.370 131 HG3 GLU 18 HG1 GLU 18 -11.579 -11.723 0.833 132 H GLN 19 HN GLN 19 -10.700 -7.550 1.303 133 HA GLN 19 HA GLN 19 -9.720 -5.666 -0.537 134 HB2 GLN 19 HB2 GLN 19 -10.480 -5.333 2.364 135 HB3 GLN 19 HB1 GLN 19 -10.287 -4.018 1.221 136 HG2 GLN 19 HG2 GLN 19 -12.102 -4.827 -0.085 137 HG3 GLN 19 HG1 GLN 19 -12.242 -6.255 0.910 138 HE21 GLN 19 HE21 GLN 19 -14.288 -4.429 0.324 139 HE22 GLN 19 HE22 GLN 19 -14.794 -3.719 1.823 140 H ARG 20 HN ARG 20 -8.480 -6.893 2.530 141 HA ARG 20 HA ARG 20 -6.080 -5.432 2.648 142 HB2 ARG 20 HB2 ARG 20 -6.118 -8.368 3.299 143 HB3 ARG 20 HB1 ARG 20 -5.253 -7.072 4.113 144 HG2 ARG 20 HG2 ARG 20 -7.348 -6.248 5.009 145 HG3 ARG 20 HG1 ARG 20 -8.225 -7.546 4.191 146 HD2 ARG 20 HD2 ARG 20 -7.931 -8.192 6.460 147 HD3 ARG 20 HD1 ARG 20 -6.823 -9.155 5.493 148 HE ARG 20 HE ARG 20 -5.207 -7.199 6.249 149 HH11 ARG 20 HH11 ARG 20 -7.554 -9.015 8.109 150 HH12 ARG 20 HH12 ARG 20 -6.683 -8.855 9.600 151 HH21 ARG 20 HH21 ARG 20 -4.053 -6.989 8.236 152 HH22 ARG 20 HH22 ARG 20 -4.712 -7.714 9.670 153 H ALA 21 HN ALA 21 -6.910 -8.446 1.066 154 HA ALA 21 HA ALA 21 -4.345 -9.141 0.162 155 HB1 ALA 21 HB1 ALA 21 -5.474 -10.759 -1.255 156 HB2 ALA 21 HB2 ALA 21 -7.009 -9.929 -0.997 157 HB3 ALA 21 HB3 ALA 21 -6.198 -10.723 0.353 158 H VAL 22 HN VAL 22 -6.876 -7.256 -1.405 159 HA VAL 22 HA VAL 22 -5.651 -7.402 -3.973 160 HB VAL 22 HB VAL 22 -7.293 -5.617 -4.621 161 HG11 VAL 22 HG11 VAL 22 -7.695 -8.095 -4.731 162 HG12 VAL 22 HG12 VAL 22 -9.147 -7.106 -4.612 163 HG13 VAL 22 HG13 VAL 22 -8.543 -7.952 -3.188 164 HG21 VAL 22 HG21 VAL 22 -8.175 -5.963 -1.753 165 HG22 VAL 22 HG22 VAL 22 -9.092 -5.118 -3.002 166 HG23 VAL 22 HG23 VAL 22 -7.527 -4.493 -2.484 167 H THR 23 HN THR 23 -5.642 -4.828 -1.469 168 HA THR 23 HA THR 23 -3.700 -3.492 -3.172 169 HB THR 23 HB THR 23 -5.211 -1.989 -2.289 170 HG1 THR 23 HG1 THR 23 -2.780 -1.702 -0.886 171 HG21 THR 23 HG21 THR 23 -4.381 -2.758 0.479 172 HG22 THR 23 HG22 THR 23 -5.894 -3.256 -0.273 173 HG23 THR 23 HG23 THR 23 -5.584 -1.546 0.047 174 H ARG 24 HN ARG 24 -3.646 -5.749 -0.655 175 HA ARG 24 HA ARG 24 -0.960 -5.285 0.157 176 HB2 ARG 24 HB2 ARG 24 -2.377 -6.973 1.248 177 HB3 ARG 24 HB1 ARG 24 -2.469 -7.880 -0.249 178 HG2 ARG 24 HG2 ARG 24 0.161 -7.878 0.012 179 HG3 ARG 24 HG1 ARG 24 -0.265 -7.670 1.713 180 HD2 ARG 24 HD2 ARG 24 -1.801 -9.633 1.466 181 HD3 ARG 24 HD1 ARG 24 -1.119 -9.877 -0.140 182 HE ARG 24 HE ARG 24 1.074 -10.131 1.058 183 HH11 ARG 24 HH11 ARG 24 -1.956 -10.847 2.662 184 HH12 ARG 24 HH12 ARG 24 -1.253 -12.011 3.738 185 HH21 ARG 24 HH21 ARG 24 2.002 -11.635 2.491 186 HH22 ARG 24 HH22 ARG 24 0.991 -12.463 3.639 187 H LYS 25 HN LYS 25 -2.511 -6.082 -2.691 188 HA LYS 25 HA LYS 25 -0.133 -6.969 -4.066 189 HB2 LYS 25 HB2 LYS 25 -1.913 -8.242 -4.780 190 HB3 LYS 25 HB1 LYS 25 -3.075 -6.964 -4.511 191 HG2 LYS 25 HG2 LYS 25 -2.955 -7.450 -6.842 192 HG3 LYS 25 HG1 LYS 25 -2.296 -5.847 -6.531 193 HD2 LYS 25 HD2 LYS 25 -0.016 -6.794 -6.648 194 HD3 LYS 25 HD1 LYS 25 -0.711 -8.375 -7.014 195 HE2 LYS 25 HE2 LYS 25 -1.767 -7.400 -9.024 196 HE3 LYS 25 HE1 LYS 25 -0.968 -5.869 -8.671 197 HZ1 LYS 25 HZ1 LYS 25 1.162 -6.937 -8.946 198 HZ2 LYS 25 HZ2 LYS 25 0.221 -7.184 -10.327 199 HZ3 LYS 25 HZ3 LYS 25 0.423 -8.434 -9.211 200 H LEU 26 HN LEU 26 -2.440 -4.241 -3.834 201 HA LEU 26 HA LEU 26 -1.309 -2.752 -5.949 202 HB2 LEU 26 HB2 LEU 26 -3.578 -2.388 -5.280 203 HB3 LEU 26 HB1 LEU 26 -3.080 -1.969 -3.658 204 HG LEU 26 HG LEU 26 -3.813 -0.098 -5.247 205 HD11 LEU 26 HD11 LEU 26 -2.743 0.053 -2.999 206 HD12 LEU 26 HD12 LEU 26 -2.500 1.443 -4.066 207 HD13 LEU 26 HD13 LEU 26 -1.205 0.265 -3.840 208 HD21 LEU 26 HD21 LEU 26 -2.420 -0.777 -7.139 209 HD22 LEU 26 HD22 LEU 26 -0.985 -0.414 -6.185 210 HD23 LEU 26 HD23 LEU 26 -2.106 0.880 -6.621 211 H VAL 27 HN VAL 27 -0.972 -2.320 -2.377 212 HA VAL 27 HA VAL 27 0.861 -0.221 -2.516 213 HB VAL 27 HB VAL 27 -0.078 -0.784 -0.355 214 HG11 VAL 27 HG11 VAL 27 -0.343 -3.137 -0.491 215 HG12 VAL 27 HG12 VAL 27 0.743 -2.813 0.864 216 HG13 VAL 27 HG13 VAL 27 1.390 -3.385 -0.677 217 HG21 VAL 27 HG21 VAL 27 2.901 -1.291 -0.361 218 HG22 VAL 27 HG22 VAL 27 1.938 -0.777 1.028 219 HG23 VAL 27 HG23 VAL 27 2.125 0.297 -0.360 220 H LEU 28 HN LEU 28 1.225 -3.620 -2.710 221 HA LEU 28 HA LEU 28 3.998 -3.888 -2.766 222 HB2 LEU 28 HB2 LEU 28 1.877 -5.549 -2.783 223 HB3 LEU 28 HB1 LEU 28 2.324 -5.633 -4.471 224 HG LEU 28 HG LEU 28 4.453 -6.568 -3.946 225 HD11 LEU 28 HD11 LEU 28 3.736 -5.942 -1.097 226 HD12 LEU 28 HD12 LEU 28 5.053 -5.254 -2.050 227 HD13 LEU 28 HD13 LEU 28 5.099 -6.954 -1.584 228 HD21 LEU 28 HD21 LEU 28 2.696 -8.187 -3.956 229 HD22 LEU 28 HD22 LEU 28 2.203 -7.742 -2.320 230 HD23 LEU 28 HD23 LEU 28 3.748 -8.564 -2.585 231 H ASP 29 HN ASP 29 1.637 -3.447 -5.314 232 HA ASP 29 HA ASP 29 3.413 -3.649 -7.510 233 HB2 ASP 29 HB2 ASP 29 0.886 -3.866 -7.564 234 HB3 ASP 29 HB1 ASP 29 0.817 -2.117 -7.436 235 H GLN 30 HN GLN 30 2.048 -0.946 -5.710 236 HA GLN 30 HA GLN 30 3.232 1.139 -7.124 237 HB2 GLN 30 HB2 GLN 30 2.610 0.986 -4.196 238 HB3 GLN 30 HB1 GLN 30 2.788 2.451 -5.145 239 HG2 GLN 30 HG2 GLN 30 0.603 0.395 -5.366 240 HG3 GLN 30 HG1 GLN 30 0.481 2.059 -4.810 241 HE21 GLN 30 HE21 GLN 30 0.802 -0.026 -7.541 242 HE22 GLN 30 HE22 GLN 30 0.454 1.158 -8.754 243 H ALA 31 HN ALA 31 4.291 -0.602 -4.262 244 HA ALA 31 HA ALA 31 6.686 0.807 -3.787 245 HB1 ALA 31 HB1 ALA 31 6.055 -2.089 -3.205 246 HB2 ALA 31 HB2 ALA 31 5.583 -0.725 -2.183 247 HB3 ALA 31 HB3 ALA 31 7.293 -1.102 -2.417 248 H ALA 32 HN ALA 32 5.770 -1.713 -5.911 249 HA ALA 32 HA ALA 32 8.357 -2.570 -6.681 250 HB1 ALA 32 HB1 ALA 32 5.536 -2.902 -7.648 251 HB2 ALA 32 HB2 ALA 32 6.721 -4.128 -7.146 252 HB3 ALA 32 HB3 ALA 32 6.867 -3.356 -8.725 253 H SER 33 HN SER 33 5.971 -0.300 -7.947 254 HA SER 33 HA SER 33 7.358 0.461 -10.267 255 HB2 SER 33 HB2 SER 33 5.023 0.994 -9.997 256 HB3 SER 33 HB1 SER 33 5.352 1.908 -8.524 257 HG SER 33 HG SER 33 6.552 2.638 -10.976 258 H VAL 34 HN VAL 34 7.469 1.584 -6.945 259 HA VAL 34 HA VAL 34 9.128 3.819 -7.269 260 HB VAL 34 HB VAL 34 9.144 1.956 -4.909 261 HG11 VAL 34 HG11 VAL 34 10.824 3.665 -4.792 262 HG12 VAL 34 HG12 VAL 34 9.533 4.067 -3.656 263 HG13 VAL 34 HG13 VAL 34 9.646 4.910 -5.200 264 HG21 VAL 34 HG21 VAL 34 7.193 4.152 -5.498 265 HG22 VAL 34 HG22 VAL 34 7.312 3.231 -3.999 266 HG23 VAL 34 HG23 VAL 34 6.868 2.419 -5.495 267 H LEU 35 HN LEU 35 9.800 0.572 -6.148 268 HA LEU 35 HA LEU 35 12.519 0.960 -5.757 269 HB2 LEU 35 HB2 LEU 35 10.540 -1.127 -5.602 270 HB3 LEU 35 HB1 LEU 35 12.137 -1.746 -5.990 271 HG LEU 35 HG LEU 35 12.938 -1.302 -3.895 272 HD11 LEU 35 HD11 LEU 35 12.754 1.107 -3.928 273 HD12 LEU 35 HD12 LEU 35 12.062 0.507 -2.421 274 HD13 LEU 35 HD13 LEU 35 11.001 1.012 -3.742 275 HD21 LEU 35 HD21 LEU 35 11.210 -2.769 -3.436 276 HD22 LEU 35 HD22 LEU 35 9.973 -1.546 -3.734 277 HD23 LEU 35 HD23 LEU 35 10.964 -1.468 -2.269 278 H GLY 36 HN GLY 36 10.790 -0.150 -8.606 279 HA2 GLY 36 HA2 GLY 36 12.216 0.280 -10.665 280 HA3 GLY 36 HA1 GLY 36 13.408 -0.701 -9.823 281 H TYR 37 HN TYR 37 10.204 -1.651 -9.381 282 HA TYR 37 HA TYR 37 10.863 -4.133 -10.789 283 HB2 TYR 37 HB2 TYR 37 8.717 -3.639 -8.730 284 HB3 TYR 37 HB1 TYR 37 9.323 -5.191 -9.279 285 HD1 TYR 37 HD1 TYR 37 9.102 -4.287 -6.447 286 HD2 TYR 37 HD2 TYR 37 12.308 -4.028 -9.210 287 HE1 TYR 37 HE1 TYR 37 10.684 -4.317 -4.595 288 HE2 TYR 37 HE2 TYR 37 13.920 -4.031 -7.369 289 HH TYR 37 HH TYR 37 13.941 -3.483 -4.927 290 H ALA 38 HN ALA 38 8.954 -5.356 -11.630 291 HA ALA 38 HA ALA 38 6.921 -3.568 -12.785 292 HB1 ALA 38 HB1 ALA 38 8.402 -5.691 -14.329 293 HB2 ALA 38 HB2 ALA 38 8.725 -3.959 -14.430 294 HB3 ALA 38 HB3 ALA 38 7.166 -4.597 -14.954 295 H SER 39 HN SER 39 7.622 -6.366 -11.086 296 HA SER 39 HA SER 39 4.911 -7.366 -11.444 297 HB2 SER 39 HB2 SER 39 7.361 -9.089 -11.886 298 HB3 SER 39 HB1 SER 39 5.698 -9.673 -11.841 299 HG SER 39 HG SER 39 5.816 -7.674 -13.586 300 H THR 40 HN THR 40 6.483 -6.049 -9.353 301 HA THR 40 HA THR 40 7.139 -6.174 -7.183 302 HB THR 40 HB THR 40 5.612 -7.461 -5.679 303 HG1 THR 40 HG1 THR 40 5.098 -8.834 -7.893 304 HG21 THR 40 HG21 THR 40 5.044 -5.200 -6.246 305 HG22 THR 40 HG22 THR 40 3.567 -6.168 -6.312 306 HG23 THR 40 HG23 THR 40 4.390 -5.709 -7.806 307 H GLU 41 HN GLU 41 8.679 -7.685 -8.850 308 HA GLU 41 HA GLU 41 8.913 -10.400 -8.249 309 HB2 GLU 41 HB2 GLU 41 11.190 -10.145 -9.356 310 HB3 GLU 41 HB1 GLU 41 9.782 -9.686 -10.299 311 HG2 GLU 41 HG2 GLU 41 11.146 -7.553 -8.766 312 HG3 GLU 41 HG1 GLU 41 11.961 -8.195 -10.192 313 H SER 42 HN SER 42 10.564 -7.628 -6.795 314 HA SER 42 HA SER 42 11.965 -9.541 -5.061 315 HB2 SER 42 HB2 SER 42 13.499 -8.307 -6.542 316 HB3 SER 42 HB1 SER 42 12.891 -6.782 -5.898 317 HG SER 42 HG SER 42 13.625 -7.571 -3.803 318 H LEU 43 HN LEU 43 9.337 -8.504 -4.590 319 HA LEU 43 HA LEU 43 9.833 -6.838 -2.230 320 HB2 LEU 43 HB2 LEU 43 7.378 -7.333 -3.869 321 HB3 LEU 43 HB1 LEU 43 7.361 -6.453 -2.350 322 HG LEU 43 HG LEU 43 9.022 -5.645 -4.726 323 HD11 LEU 43 HD11 LEU 43 7.333 -3.928 -5.079 324 HD12 LEU 43 HD12 LEU 43 6.343 -4.655 -3.809 325 HD13 LEU 43 HD13 LEU 43 6.685 -5.555 -5.286 326 HD21 LEU 43 HD21 LEU 43 9.115 -3.508 -3.506 327 HD22 LEU 43 HD22 LEU 43 9.863 -4.835 -2.618 328 HD23 LEU 43 HD23 LEU 43 8.257 -4.264 -2.165 329 H ASP 44 HN ASP 44 8.410 -7.182 -0.410 330 HA ASP 44 HA ASP 44 7.380 -9.897 -0.074 331 HB2 ASP 44 HB2 ASP 44 9.805 -9.419 0.976 332 HB3 ASP 44 HB1 ASP 44 8.827 -8.673 2.230 333 H THR 45 HN THR 45 5.697 -9.983 1.485 334 HA THR 45 HA THR 45 4.634 -7.335 2.167 335 HB THR 45 HB THR 45 2.496 -8.631 2.616 336 HG1 THR 45 HG1 THR 45 3.695 -10.630 0.980 337 HG21 THR 45 HG21 THR 45 2.728 -7.272 0.654 338 HG22 THR 45 HG22 THR 45 1.928 -8.781 0.215 339 HG23 THR 45 HG23 THR 45 3.634 -8.540 -0.169 340 H HIS 46 HN HIS 46 6.265 -9.940 3.465 341 HA HIS 46 HA HIS 46 5.127 -9.571 6.150 342 HB2 HIS 46 HB2 HIS 46 7.144 -11.627 5.221 343 HB3 HIS 46 HB1 HIS 46 6.324 -11.594 6.771 344 HD1 HIS 46 HD1 HIS 46 4.527 -13.276 6.895 345 HD2 HIS 46 HD2 HIS 46 5.012 -11.793 3.047 346 HE1 HIS 46 HE1 HIS 46 2.879 -14.535 5.475 347 HE2 HIS 46 HE2 HIS 46 3.370 -13.793 3.117 348 H GLU 47 HN GLU 47 7.466 -8.306 4.238 349 HA GLU 47 HA GLU 47 9.286 -7.828 6.489 350 HB2 GLU 47 HB2 GLU 47 11.067 -8.330 5.223 351 HB3 GLU 47 HB1 GLU 47 9.918 -9.113 4.155 352 HG2 GLU 47 HG2 GLU 47 9.762 -6.961 2.885 353 HG3 GLU 47 HG1 GLU 47 11.084 -6.357 3.888 354 H SER 48 HN SER 48 10.218 -5.722 6.572 355 HA SER 48 HA SER 48 8.105 -3.827 6.032 356 HB2 SER 48 HB2 SER 48 10.691 -3.196 7.435 357 HB3 SER 48 HB1 SER 48 9.091 -2.500 7.683 358 HG SER 48 HG SER 48 10.153 -4.911 8.615 359 H PHE 49 HN PHE 49 8.317 -1.917 4.924 360 HA PHE 49 HA PHE 49 9.653 -1.881 2.510 361 HB2 PHE 49 HB2 PHE 49 8.727 0.486 4.126 362 HB3 PHE 49 HB1 PHE 49 9.178 0.542 2.427 363 HD1 PHE 49 HD1 PHE 49 7.744 -0.276 0.742 364 HD2 PHE 49 HD2 PHE 49 6.695 -0.660 4.839 365 HE1 PHE 49 HE1 PHE 49 5.461 -0.890 0.098 366 HE2 PHE 49 HE2 PHE 49 4.401 -1.275 4.201 367 HZ PHE 49 HZ PHE 49 3.745 -1.279 1.883 368 H LYS 50 HN LYS 50 10.743 -0.715 5.587 369 HA LYS 50 HA LYS 50 13.086 0.542 5.104 370 HB2 LYS 50 HB2 LYS 50 12.172 -0.297 7.315 371 HB3 LYS 50 HB1 LYS 50 12.927 -1.835 6.937 372 HG2 LYS 50 HG2 LYS 50 14.646 0.493 6.676 373 HG3 LYS 50 HG1 LYS 50 14.100 0.125 8.311 374 HD2 LYS 50 HD2 LYS 50 14.966 -2.147 8.070 375 HD3 LYS 50 HD1 LYS 50 15.507 -1.756 6.428 376 HE2 LYS 50 HE2 LYS 50 16.286 -0.123 8.778 377 HE3 LYS 50 HE1 LYS 50 17.219 -1.556 8.332 378 HZ1 LYS 50 HZ1 LYS 50 18.141 0.493 7.394 379 HZ2 LYS 50 HZ2 LYS 50 16.692 0.787 6.576 380 HZ3 LYS 50 HZ3 LYS 50 17.633 -0.561 6.174 381 H ASP 51 HN ASP 51 12.658 -2.939 5.126 382 HA ASP 51 HA ASP 51 15.268 -3.527 4.218 383 HB2 ASP 51 HB2 ASP 51 13.632 -5.016 5.519 384 HB3 ASP 51 HB1 ASP 51 12.900 -5.361 3.960 385 H LEU 52 HN LEU 52 12.304 -2.771 2.651 386 HA LEU 52 HA LEU 52 12.900 -3.836 0.076 387 HB2 LEU 52 HB2 LEU 52 10.874 -1.924 1.166 388 HB3 LEU 52 HB1 LEU 52 11.030 -2.139 -0.551 389 HG LEU 52 HG LEU 52 10.472 -4.527 -0.316 390 HD11 LEU 52 HD11 LEU 52 11.311 -4.970 1.880 391 HD12 LEU 52 HD12 LEU 52 9.577 -5.304 1.847 392 HD13 LEU 52 HD13 LEU 52 10.176 -3.819 2.583 393 HD21 LEU 52 HD21 LEU 52 8.135 -4.261 0.407 394 HD22 LEU 52 HD22 LEU 52 8.651 -3.014 -0.735 395 HD23 LEU 52 HD23 LEU 52 8.527 -2.641 0.984 396 H GLY 53 HN GLY 53 13.794 -1.064 1.831 397 HA2 GLY 53 HA2 GLY 53 15.769 0.065 1.096 398 HA3 GLY 53 HA1 GLY 53 15.198 -0.082 -0.553 399 H PHE 54 HN PHE 54 12.652 0.772 1.525 400 HA PHE 54 HA PHE 54 12.547 3.349 0.330 401 HB2 PHE 54 HB2 PHE 54 10.799 2.032 2.413 402 HB3 PHE 54 HB1 PHE 54 10.507 3.640 1.761 403 HD1 PHE 54 HD1 PHE 54 9.701 3.966 -0.437 404 HD2 PHE 54 HD2 PHE 54 10.620 0.066 0.970 405 HE1 PHE 54 HE1 PHE 54 8.570 3.013 -2.384 406 HE2 PHE 54 HE2 PHE 54 9.491 -0.913 -0.972 407 HZ PHE 54 HZ PHE 54 8.477 0.557 -2.683 408 H ASP 55 HN ASP 55 12.260 5.335 1.478 409 HA ASP 55 HA ASP 55 13.524 5.741 4.026 410 HB2 ASP 55 HB2 ASP 55 15.415 5.411 2.258 411 HB3 ASP 55 HB1 ASP 55 14.904 6.979 1.638 412 H SER 56 HN SER 56 14.097 8.483 3.697 413 HA SER 56 HA SER 56 11.432 9.559 3.436 414 HB2 SER 56 HB2 SER 56 14.062 10.969 3.964 415 HB3 SER 56 HB1 SER 56 12.456 11.669 4.162 416 HG SER 56 HG SER 56 13.859 10.223 5.906 417 H LEU 57 HN LEU 57 12.277 8.457 1.096 418 HA LEU 57 HA LEU 57 12.222 10.678 -0.781 419 HB2 LEU 57 HB2 LEU 57 13.993 8.271 -1.044 420 HB3 LEU 57 HB1 LEU 57 13.906 9.617 -2.162 421 HG LEU 57 HG LEU 57 14.854 9.840 0.686 422 HD11 LEU 57 HD11 LEU 57 17.117 9.920 -0.262 423 HD12 LEU 57 HD12 LEU 57 16.455 9.548 -1.853 424 HD13 LEU 57 HD13 LEU 57 16.332 8.368 -0.548 425 HD21 LEU 57 HD21 LEU 57 15.105 11.715 -1.664 426 HD22 LEU 57 HD22 LEU 57 15.760 11.982 -0.050 427 HD23 LEU 57 HD23 LEU 57 14.015 11.913 -0.293 428 H THR 58 HN THR 58 12.613 7.171 -0.876 429 HA THR 58 HA THR 58 10.847 6.804 -3.055 430 HB THR 58 HB THR 58 11.103 4.325 -2.244 431 HG1 THR 58 HG1 THR 58 13.451 4.745 -1.094 432 HG21 THR 58 HG21 THR 58 12.209 5.237 -4.209 433 HG22 THR 58 HG22 THR 58 13.321 4.212 -3.300 434 HG23 THR 58 HG23 THR 58 13.449 5.967 -3.193 435 H ALA 59 HN ALA 59 10.553 6.307 0.427 436 HA ALA 59 HA ALA 59 8.052 5.122 0.515 437 HB1 ALA 59 HB1 ALA 59 9.131 7.186 2.448 438 HB2 ALA 59 HB2 ALA 59 9.547 5.475 2.478 439 HB3 ALA 59 HB3 ALA 59 7.884 5.982 2.779 440 H LEU 60 HN LEU 60 9.038 8.402 0.009 441 HA LEU 60 HA LEU 60 6.533 9.629 0.422 442 HB2 LEU 60 HB2 LEU 60 9.040 10.492 -0.995 443 HB3 LEU 60 HB1 LEU 60 7.633 11.531 -0.860 444 HG LEU 60 HG LEU 60 9.338 12.074 0.837 445 HD11 LEU 60 HD11 LEU 60 6.856 10.863 2.017 446 HD12 LEU 60 HD12 LEU 60 6.980 12.480 1.322 447 HD13 LEU 60 HD13 LEU 60 7.893 12.067 2.774 448 HD21 LEU 60 HD21 LEU 60 9.743 10.545 2.695 449 HD22 LEU 60 HD22 LEU 60 10.300 9.865 1.166 450 HD23 LEU 60 HD23 LEU 60 8.787 9.306 1.882 451 H GLU 61 HN GLU 61 8.252 8.631 -2.546 452 HA GLU 61 HA GLU 61 6.059 9.387 -4.222 453 HB2 GLU 61 HB2 GLU 61 7.256 7.856 -5.912 454 HB3 GLU 61 HB1 GLU 61 8.093 9.313 -5.376 455 HG2 GLU 61 HG2 GLU 61 9.415 8.005 -3.833 456 HG3 GLU 61 HG1 GLU 61 8.539 6.549 -4.290 457 H LEU 62 HN LEU 62 6.983 6.435 -2.560 458 HA LEU 62 HA LEU 62 5.024 4.745 -3.726 459 HB2 LEU 62 HB2 LEU 62 6.778 3.795 -2.379 460 HB3 LEU 62 HB1 LEU 62 6.265 4.725 -0.989 461 HG LEU 62 HG LEU 62 4.160 3.491 -0.911 462 HD11 LEU 62 HD11 LEU 62 3.885 3.012 -3.246 463 HD12 LEU 62 HD12 LEU 62 3.874 1.508 -2.321 464 HD13 LEU 62 HD13 LEU 62 5.309 1.973 -3.232 465 HD21 LEU 62 HD21 LEU 62 6.503 1.630 -1.066 466 HD22 LEU 62 HD22 LEU 62 5.043 1.450 -0.089 467 HD23 LEU 62 HD23 LEU 62 6.199 2.735 0.271 468 H ARG 63 HN ARG 63 5.047 6.742 -0.830 469 HA ARG 63 HA ARG 63 2.471 6.270 0.110 470 HB2 ARG 63 HB2 ARG 63 3.928 7.498 1.496 471 HB3 ARG 63 HB1 ARG 63 4.394 8.586 0.198 472 HG2 ARG 63 HG2 ARG 63 1.853 9.274 0.308 473 HG3 ARG 63 HG1 ARG 63 2.008 8.661 1.959 474 HD2 ARG 63 HD2 ARG 63 2.453 11.070 1.825 475 HD3 ARG 63 HD1 ARG 63 3.862 10.165 2.371 476 HE ARG 63 HE ARG 63 4.484 10.333 -0.152 477 HH11 ARG 63 HH11 ARG 63 2.955 12.790 1.809 478 HH12 ARG 63 HH12 ARG 63 3.587 14.110 0.878 479 HH21 ARG 63 HH21 ARG 63 5.323 12.081 -1.394 480 HH22 ARG 63 HH22 ARG 63 4.932 13.708 -0.937 481 H ASP 64 HN ASP 64 3.802 8.596 -2.153 482 HA ASP 64 HA ASP 64 1.515 9.921 -2.949 483 HB2 ASP 64 HB2 ASP 64 3.927 10.455 -3.484 484 HB3 ASP 64 HB1 ASP 64 3.820 9.228 -4.738 485 H HIS 65 HN HIS 65 2.972 6.936 -4.131 486 HA HIS 65 HA HIS 65 1.244 6.437 -6.272 487 HB2 HIS 65 HB2 HIS 65 2.800 4.578 -4.508 488 HB3 HIS 65 HB1 HIS 65 1.914 4.045 -5.920 489 HD1 HIS 65 HD1 HIS 65 2.917 6.738 -7.568 490 HD2 HIS 65 HD2 HIS 65 5.165 3.837 -5.659 491 HE1 HIS 65 HE1 HIS 65 5.214 6.832 -8.619 492 HE2 HIS 65 HE2 HIS 65 6.489 4.959 -7.569 493 H LEU 66 HN LEU 66 1.020 5.493 -2.838 494 HA LEU 66 HA LEU 66 -1.209 3.787 -3.191 495 HB2 LEU 66 HB2 LEU 66 -0.005 5.205 -0.864 496 HB3 LEU 66 HB1 LEU 66 -1.529 4.371 -0.676 497 HG LEU 66 HG LEU 66 -0.580 2.275 -0.865 498 HD11 LEU 66 HD11 LEU 66 1.566 1.779 -1.892 499 HD12 LEU 66 HD12 LEU 66 1.813 3.492 -2.230 500 HD13 LEU 66 HD13 LEU 66 0.508 2.615 -3.025 501 HD21 LEU 66 HD21 LEU 66 1.562 4.053 0.260 502 HD22 LEU 66 HD22 LEU 66 1.527 2.297 0.436 503 HD23 LEU 66 HD23 LEU 66 0.242 3.280 1.137 504 H GLN 67 HN GLN 67 -0.936 7.199 -2.437 505 HA GLN 67 HA GLN 67 -3.727 7.610 -1.957 506 HB2 GLN 67 HB2 GLN 67 -1.832 9.746 -2.871 507 HB3 GLN 67 HB1 GLN 67 -3.219 9.899 -1.802 508 HG2 GLN 67 HG2 GLN 67 -2.104 9.006 -0.003 509 HG3 GLN 67 HG1 GLN 67 -0.944 8.179 -1.041 510 HE21 GLN 67 HE21 GLN 67 -0.321 10.417 -2.677 511 HE22 GLN 67 HE22 GLN 67 0.626 11.498 -1.731 512 H THR 68 HN THR 68 -1.605 7.838 -4.748 513 HA THR 68 HA THR 68 -3.500 8.841 -6.556 514 HB THR 68 HB THR 68 -0.861 7.508 -6.601 515 HG1 THR 68 HG1 THR 68 -1.747 9.944 -6.836 516 HG21 THR 68 HG21 THR 68 -2.559 7.732 -9.091 517 HG22 THR 68 HG22 THR 68 -1.994 6.243 -8.333 518 HG23 THR 68 HG23 THR 68 -0.836 7.355 -9.060 519 H ALA 69 HN ALA 69 -2.329 5.660 -5.787 520 HA ALA 69 HA ALA 69 -3.911 4.095 -7.398 521 HB1 ALA 69 HB1 ALA 69 -2.003 3.261 -6.197 522 HB2 ALA 69 HB2 ALA 69 -3.431 2.304 -5.790 523 HB3 ALA 69 HB3 ALA 69 -2.828 3.523 -4.662 524 H THR 70 HN THR 70 -4.560 5.115 -4.045 525 HA THR 70 HA THR 70 -7.132 3.729 -4.153 526 HB THR 70 HB THR 70 -7.245 4.107 -1.752 527 HG1 THR 70 HG1 THR 70 -4.716 5.382 -1.827 528 HG21 THR 70 HG21 THR 70 -4.441 3.322 -2.535 529 HG22 THR 70 HG22 THR 70 -5.844 2.248 -2.601 530 HG23 THR 70 HG23 THR 70 -5.283 2.877 -1.051 531 H GLY 71 HN GLY 71 -5.820 6.953 -3.874 532 HA2 GLY 71 HA2 GLY 71 -6.959 8.942 -4.422 533 HA3 GLY 71 HA1 GLY 71 -8.489 8.085 -4.259 534 H LEU 72 HN LEU 72 -6.613 7.215 -1.732 535 HA LEU 72 HA LEU 72 -8.261 8.840 0.051 536 HB2 LEU 72 HB2 LEU 72 -6.777 6.247 0.308 537 HB3 LEU 72 HB1 LEU 72 -7.301 7.111 1.737 538 HG LEU 72 HG LEU 72 -8.838 5.286 1.083 539 HD11 LEU 72 HD11 LEU 72 -10.039 8.037 0.877 540 HD12 LEU 72 HD12 LEU 72 -9.688 7.154 2.365 541 HD13 LEU 72 HD13 LEU 72 -10.908 6.546 1.249 542 HD21 LEU 72 HD21 LEU 72 -9.415 6.965 -1.347 543 HD22 LEU 72 HD22 LEU 72 -10.275 5.505 -0.857 544 HD23 LEU 72 HD23 LEU 72 -8.583 5.412 -1.341 545 H ASN 73 HN ASN 73 -6.750 8.681 2.371 546 HA ASN 73 HA ASN 73 -4.700 10.680 1.684 547 HB2 ASN 73 HB2 ASN 73 -6.701 11.644 2.732 548 HB3 ASN 73 HB1 ASN 73 -6.504 10.564 4.105 549 HD21 ASN 73 HD21 ASN 73 -3.874 12.214 2.445 550 HD22 ASN 73 HD22 ASN 73 -3.435 13.223 3.775 551 H LEU 74 HN LEU 74 -2.877 9.424 1.790 552 HA LEU 74 HA LEU 74 -2.382 8.053 4.315 553 HB2 LEU 74 HB2 LEU 74 -0.947 7.873 1.672 554 HB3 LEU 74 HB1 LEU 74 -0.512 6.978 3.120 555 HG LEU 74 HG LEU 74 -3.024 6.170 2.963 556 HD11 LEU 74 HD11 LEU 74 -3.565 7.598 1.022 557 HD12 LEU 74 HD12 LEU 74 -3.804 5.883 0.693 558 HD13 LEU 74 HD13 LEU 74 -2.375 6.714 0.066 559 HD21 LEU 74 HD21 LEU 74 -0.674 5.163 1.405 560 HD22 LEU 74 HD22 LEU 74 -2.196 4.287 1.520 561 HD23 LEU 74 HD23 LEU 74 -1.266 4.625 2.979 562 H SER 75 HN SER 75 0.567 8.227 4.197 563 HA SER 75 HA SER 75 0.862 11.068 4.758 564 HB2 SER 75 HB2 SER 75 -0.242 10.002 6.763 565 HB3 SER 75 HB1 SER 75 1.241 9.076 6.994 566 HG SER 75 HG SER 75 0.695 11.654 7.634 567 H SER 76 HN SER 76 3.112 11.437 5.886 568 HA SER 76 HA SER 76 4.978 10.822 3.907 569 HB2 SER 76 HB2 SER 76 5.525 11.788 6.717 570 HB3 SER 76 HB1 SER 76 6.612 11.933 5.335 571 HG SER 76 HG SER 76 4.362 13.398 5.993 572 H THR 77 HN THR 77 4.755 9.475 7.211 573 HA THR 77 HA THR 77 6.882 7.578 6.490 574 HB THR 77 HB THR 77 7.017 7.126 8.954 575 HG1 THR 77 HG1 THR 77 5.166 7.825 9.861 576 HG21 THR 77 HG21 THR 77 8.580 8.638 7.862 577 HG22 THR 77 HG22 THR 77 8.194 9.220 9.482 578 HG23 THR 77 HG23 THR 77 7.453 9.977 8.071 579 H LEU 78 HN LEU 78 4.241 7.465 5.600 580 HA LEU 78 HA LEU 78 2.364 5.907 6.771 581 HB2 LEU 78 HB2 LEU 78 2.279 7.045 4.591 582 HB3 LEU 78 HB1 LEU 78 3.354 5.844 3.940 583 HG LEU 78 HG LEU 78 0.777 5.797 3.489 584 HD11 LEU 78 HD11 LEU 78 2.549 3.436 3.959 585 HD12 LEU 78 HD12 LEU 78 2.210 4.279 2.437 586 HD13 LEU 78 HD13 LEU 78 0.949 3.322 3.225 587 HD21 LEU 78 HD21 LEU 78 -0.253 4.076 5.013 588 HD22 LEU 78 HD22 LEU 78 -0.072 5.706 5.659 589 HD23 LEU 78 HD23 LEU 78 1.058 4.437 6.138 590 H ILE 79 HN ILE 79 4.932 4.629 4.684 591 HA ILE 79 HA ILE 79 4.372 1.911 5.418 592 HB ILE 79 HB ILE 79 6.189 1.340 3.933 593 HG12 ILE 79 HG12 ILE 79 6.774 4.286 4.013 594 HG13 ILE 79 HG11 ILE 79 7.860 2.955 4.402 595 HG21 ILE 79 HG21 ILE 79 4.072 1.872 2.900 596 HG22 ILE 79 HG22 ILE 79 5.411 2.425 1.891 597 HG23 ILE 79 HG23 ILE 79 4.500 3.587 2.861 598 HD11 ILE 79 HD11 ILE 79 8.520 3.760 2.305 599 HD12 ILE 79 HD12 ILE 79 6.854 3.836 1.731 600 HD13 ILE 79 HD13 ILE 79 7.633 2.268 1.983 601 H PHE 80 HN PHE 80 5.812 4.118 7.247 602 HA PHE 80 HA PHE 80 7.686 2.146 8.378 603 HB2 PHE 80 HB2 PHE 80 7.814 5.165 8.486 604 HB3 PHE 80 HB1 PHE 80 8.907 4.086 9.345 605 HD1 PHE 80 HD1 PHE 80 9.158 6.249 6.931 606 HD2 PHE 80 HD2 PHE 80 9.391 2.016 7.304 607 HE1 PHE 80 HE1 PHE 80 10.576 6.151 4.924 608 HE2 PHE 80 HE2 PHE 80 10.807 1.904 5.297 609 HZ PHE 80 HZ PHE 80 11.407 3.981 4.106 610 H ASP 81 HN ASP 81 4.941 4.009 8.687 611 HA ASP 81 HA ASP 81 4.629 3.665 11.535 612 HB2 ASP 81 HB2 ASP 81 3.241 5.039 9.330 613 HB3 ASP 81 HB1 ASP 81 2.168 4.333 10.528 614 H HIS 82 HN HIS 82 3.582 2.373 8.488 615 HA HIS 82 HA HIS 82 2.598 -0.034 9.836 616 HB2 HIS 82 HB2 HIS 82 1.798 0.953 7.087 617 HB3 HIS 82 HB1 HIS 82 1.066 -0.349 8.010 618 HD1 HIS 82 HD1 HIS 82 -0.465 0.321 10.024 619 HD2 HIS 82 HD2 HIS 82 0.972 3.515 7.768 620 HE1 HIS 82 HE1 HIS 82 -1.753 2.333 10.805 621 HE2 HIS 82 HE2 HIS 82 -0.714 4.279 9.587 622 HA PRO 83 HA PRO 83 6.625 -0.919 8.457 623 HB2 PRO 83 HB2 PRO 83 6.668 -3.588 9.113 624 HB3 PRO 83 HB1 PRO 83 6.882 -2.271 10.271 625 HG2 PRO 83 HG2 PRO 83 4.410 -3.840 9.622 626 HG3 PRO 83 HG1 PRO 83 5.035 -3.335 11.206 627 HD2 PRO 83 HD2 PRO 83 3.034 -2.009 10.015 628 HD3 PRO 83 HD1 PRO 83 4.273 -1.157 10.943 629 H THR 84 HN THR 84 4.072 -3.145 7.371 630 HA THR 84 HA THR 84 5.779 -3.780 5.077 631 HB THR 84 HB THR 84 4.715 -5.987 5.038 632 HG1 THR 84 HG1 THR 84 3.645 -6.269 7.369 633 HG21 THR 84 HG21 THR 84 5.862 -5.356 7.761 634 HG22 THR 84 HG22 THR 84 6.819 -5.642 6.308 635 HG23 THR 84 HG23 THR 84 5.820 -6.936 6.976 636 HA PRO 85 HA PRO 85 2.480 -2.628 2.329 637 HB2 PRO 85 HB2 PRO 85 2.824 -5.267 1.032 638 HB3 PRO 85 HB1 PRO 85 2.944 -3.657 0.325 639 HG2 PRO 85 HG2 PRO 85 5.111 -5.178 0.768 640 HG3 PRO 85 HG1 PRO 85 5.150 -3.412 0.916 641 HD2 PRO 85 HD2 PRO 85 5.100 -5.486 3.044 642 HD3 PRO 85 HD1 PRO 85 5.886 -3.901 3.032 643 H HIS 86 HN HIS 86 2.640 -5.477 4.119 644 HA HIS 86 HA HIS 86 -0.067 -6.362 3.766 645 HB2 HIS 86 HB2 HIS 86 1.255 -8.083 4.512 646 HB3 HIS 86 HB1 HIS 86 2.273 -7.035 5.460 647 HD1 HIS 86 HD1 HIS 86 -0.234 -9.586 5.811 648 HD2 HIS 86 HD2 HIS 86 0.925 -6.239 7.996 649 HE1 HIS 86 HE1 HIS 86 -1.088 -9.973 8.144 650 HE2 HIS 86 HE2 HIS 86 -0.462 -7.897 9.424 651 H ALA 87 HN ALA 87 1.742 -4.510 6.140 652 HA ALA 87 HA ALA 87 -0.496 -4.006 7.853 653 HB1 ALA 87 HB1 ALA 87 1.028 -2.559 9.076 654 HB2 ALA 87 HB2 ALA 87 2.181 -2.622 7.743 655 HB3 ALA 87 HB3 ALA 87 1.833 -4.078 8.680 656 H VAL 88 HN VAL 88 0.822 -2.638 5.074 657 HA VAL 88 HA VAL 88 -0.344 -0.015 5.471 658 HB VAL 88 HB VAL 88 1.170 -1.269 3.203 659 HG11 VAL 88 HG11 VAL 88 1.235 0.988 2.204 660 HG12 VAL 88 HG12 VAL 88 0.067 1.514 3.418 661 HG13 VAL 88 HG13 VAL 88 -0.377 0.274 2.245 662 HG21 VAL 88 HG21 VAL 88 2.919 0.347 3.819 663 HG22 VAL 88 HG22 VAL 88 2.543 -0.779 5.124 664 HG23 VAL 88 HG23 VAL 88 1.926 0.876 5.177 665 H ALA 89 HN ALA 89 -0.802 -2.831 3.389 666 HA ALA 89 HA ALA 89 -2.923 -1.774 1.899 667 HB1 ALA 89 HB1 ALA 89 -1.753 -3.788 1.227 668 HB2 ALA 89 HB2 ALA 89 -3.487 -4.079 1.345 669 HB3 ALA 89 HB3 ALA 89 -2.403 -4.654 2.619 670 H GLU 90 HN GLU 90 -2.900 -3.534 5.022 671 HA GLU 90 HA GLU 90 -5.760 -3.564 5.193 672 HB2 GLU 90 HB2 GLU 90 -5.301 -4.064 7.626 673 HB3 GLU 90 HB1 GLU 90 -4.577 -5.182 6.475 674 HG2 GLU 90 HG2 GLU 90 -2.455 -3.970 6.678 675 HG3 GLU 90 HG1 GLU 90 -3.179 -2.935 7.902 676 H HIS 91 HN HIS 91 -3.235 -1.362 5.996 677 HA HIS 91 HA HIS 91 -4.721 0.456 7.528 678 HB2 HIS 91 HB2 HIS 91 -2.375 0.657 7.649 679 HB3 HIS 91 HB1 HIS 91 -2.204 0.706 5.893 680 HD1 HIS 91 HD1 HIS 91 -3.543 2.845 8.740 681 HD2 HIS 91 HD2 HIS 91 -2.185 3.174 4.829 682 HE1 HIS 91 HE1 HIS 91 -3.414 5.314 8.281 683 HE2 HIS 91 HE2 HIS 91 -2.732 5.496 5.868 684 H LEU 92 HN LEU 92 -4.534 -0.182 4.144 685 HA LEU 92 HA LEU 92 -5.666 2.300 3.322 686 HB2 LEU 92 HB2 LEU 92 -4.901 -0.251 2.014 687 HB3 LEU 92 HB1 LEU 92 -6.122 0.729 1.208 688 HG LEU 92 HG LEU 92 -4.651 2.489 0.822 689 HD11 LEU 92 HD11 LEU 92 -3.018 1.355 3.069 690 HD12 LEU 92 HD12 LEU 92 -3.727 2.969 2.923 691 HD13 LEU 92 HD13 LEU 92 -2.345 2.512 1.925 692 HD21 LEU 92 HD21 LEU 92 -4.064 0.549 -0.522 693 HD22 LEU 92 HD22 LEU 92 -2.930 0.027 0.723 694 HD23 LEU 92 HD23 LEU 92 -2.645 1.529 -0.156 695 H LEU 93 HN LEU 93 -6.880 -0.504 4.708 696 HA LEU 93 HA LEU 93 -9.567 -0.359 3.700 697 HB2 LEU 93 HB2 LEU 93 -8.336 -1.752 6.046 698 HB3 LEU 93 HB1 LEU 93 -10.065 -1.755 5.779 699 HG LEU 93 HG LEU 93 -9.894 -3.123 3.889 700 HD11 LEU 93 HD11 LEU 93 -6.941 -2.499 3.866 701 HD12 LEU 93 HD12 LEU 93 -8.147 -1.973 2.686 702 HD13 LEU 93 HD13 LEU 93 -7.736 -3.685 2.820 703 HD21 LEU 93 HD21 LEU 93 -8.698 -5.032 4.676 704 HD22 LEU 93 HD22 LEU 93 -9.386 -4.196 6.069 705 HD23 LEU 93 HD23 LEU 93 -7.667 -4.024 5.696 706 H GLU 94 HN GLU 94 -7.731 0.871 6.321 707 HA GLU 94 HA GLU 94 -9.717 1.848 8.021 708 HB2 GLU 94 HB2 GLU 94 -6.903 2.639 7.382 709 HB3 GLU 94 HB1 GLU 94 -7.841 3.562 8.561 710 HG2 GLU 94 HG2 GLU 94 -7.153 0.632 8.702 711 HG3 GLU 94 HG1 GLU 94 -6.433 1.924 9.661 712 H GLN 95 HN GLN 95 -8.474 2.988 5.004 713 HA GLN 95 HA GLN 95 -9.508 5.659 5.229 714 HB2 GLN 95 HB2 GLN 95 -8.579 4.308 2.716 715 HB3 GLN 95 HB1 GLN 95 -8.415 5.994 3.181 716 HG2 GLN 95 HG2 GLN 95 -6.986 3.753 4.568 717 HG3 GLN 95 HG1 GLN 95 -6.308 4.646 3.218 718 HE21 GLN 95 HE21 GLN 95 -5.484 4.362 5.995 719 HE22 GLN 95 HE22 GLN 95 -5.339 5.968 6.614 720 H ILE 96 HN ILE 96 -10.593 2.595 4.182 721 HA ILE 96 HA ILE 96 -12.209 3.342 1.990 722 HB ILE 96 HB ILE 96 -12.168 0.849 3.669 723 HG12 ILE 96 HG12 ILE 96 -10.032 1.569 2.661 724 HG13 ILE 96 HG11 ILE 96 -10.596 0.026 2.061 725 HG21 ILE 96 HG21 ILE 96 -13.116 1.089 0.840 726 HG22 ILE 96 HG22 ILE 96 -14.197 1.105 2.232 727 HG23 ILE 96 HG23 ILE 96 -13.208 -0.317 1.900 728 HD11 ILE 96 HD11 ILE 96 -11.257 0.988 -0.007 729 HD12 ILE 96 HD12 ILE 96 -9.632 1.587 0.350 730 HD13 ILE 96 HD13 ILE 96 -11.039 2.623 0.618 731 HA PRO 97 HA PRO 97 -15.791 4.834 3.951 732 HB2 PRO 97 HB2 PRO 97 -17.483 4.766 1.899 733 HB3 PRO 97 HB1 PRO 97 -16.039 5.788 1.862 734 HG2 PRO 97 HG2 PRO 97 -16.423 3.054 0.696 735 HG3 PRO 97 HG1 PRO 97 -15.787 4.503 -0.091 736 HD2 PRO 97 HD2 PRO 97 -14.177 2.614 0.929 737 HD3 PRO 97 HD1 PRO 97 -13.752 4.323 0.956 738 H GLY 98 HN GLY 98 -15.974 2.844 5.396 739 HA2 GLY 98 HA2 GLY 98 -17.692 1.730 6.505 740 HA3 GLY 98 HA1 GLY 98 -18.712 1.955 5.096 741 H ILE 99 HN ILE 99 -17.449 0.717 3.120 742 HA ILE 99 HA ILE 99 -17.985 -2.000 3.499 743 HB ILE 99 HB ILE 99 -16.386 -2.123 1.355 744 HG12 ILE 99 HG12 ILE 99 -17.408 0.650 1.008 745 HG13 ILE 99 HG11 ILE 99 -15.959 0.434 1.976 746 HG21 ILE 99 HG21 ILE 99 -18.357 -1.662 -0.012 747 HG22 ILE 99 HG22 ILE 99 -19.149 -0.920 1.378 748 HG23 ILE 99 HG23 ILE 99 -18.763 -2.641 1.397 749 HD11 ILE 99 HD11 ILE 99 -14.944 -0.774 0.064 750 HD12 ILE 99 HD12 ILE 99 -15.299 0.931 -0.233 751 HD13 ILE 99 HD13 ILE 99 -16.358 -0.323 -0.900 752 H GLY 100 HN GLY 100 -15.018 -0.201 3.918 753 HA2 GLY 100 HA2 GLY 100 -13.567 -2.730 4.312 754 HA3 GLY 100 HA1 GLY 100 -12.827 -1.237 3.746 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 -5.734 13.872 -4.104 2 H2 GLY 1 HT2 GLY 1 -5.900 12.313 -4.730 3 H3 GLY 1 HT3 GLY 1 -4.811 12.606 -3.468 4 HA2 GLY 1 HA1 GLY 1 -6.786 11.536 -2.620 5 HA3 GLY 1 HA2 GLY 1 -6.629 13.170 -1.987 6 H SER 2 HN SER 2 -8.963 12.892 -1.586 7 HA SER 2 HA SER 2 -11.152 13.251 -2.037 8 HB2 SER 2 HB2 SER 2 -10.033 14.822 -4.371 9 HB3 SER 2 HB1 SER 2 -11.669 14.962 -3.726 10 HG SER 2 HG SER 2 -10.172 15.276 -1.652 11 H THR 3 HN THR 3 -10.272 10.828 -2.854 12 HA THR 3 HA THR 3 -12.114 10.208 -5.001 13 HB THR 3 HB THR 3 -9.183 9.458 -5.200 14 HG1 THR 3 HG1 THR 3 -10.554 11.614 -6.092 15 HG21 THR 3 HG21 THR 3 -11.443 8.908 -7.124 16 HG22 THR 3 HG22 THR 3 -10.717 7.716 -6.046 17 HG23 THR 3 HG23 THR 3 -9.753 8.446 -7.328 18 H ALA 4 HN ALA 4 -12.913 8.107 -4.793 19 HA ALA 4 HA ALA 4 -11.541 6.264 -3.000 20 HB1 ALA 4 HB1 ALA 4 -14.399 7.111 -2.486 21 HB2 ALA 4 HB2 ALA 4 -13.005 7.583 -1.512 22 HB3 ALA 4 HB3 ALA 4 -13.491 5.889 -1.593 23 H THR 5 HN THR 5 -14.494 6.820 -4.912 24 HA THR 5 HA THR 5 -15.328 4.236 -5.344 25 HB THR 5 HB THR 5 -15.361 6.385 -7.461 26 HG1 THR 5 HG1 THR 5 -17.524 6.731 -6.288 27 HG21 THR 5 HG21 THR 5 -17.314 4.172 -6.803 28 HG22 THR 5 HG22 THR 5 -16.190 4.174 -8.161 29 HG23 THR 5 HG23 THR 5 -17.493 5.362 -8.092 30 H LEU 6 HN LEU 6 -12.580 5.811 -6.689 31 HA LEU 6 HA LEU 6 -11.956 4.149 -8.819 32 HB2 LEU 6 HB2 LEU 6 -10.662 6.108 -8.451 33 HB3 LEU 6 HB1 LEU 6 -10.247 5.611 -6.824 34 HG LEU 6 HG LEU 6 -8.809 3.846 -7.698 35 HD11 LEU 6 HD11 LEU 6 -8.332 3.718 -10.098 36 HD12 LEU 6 HD12 LEU 6 -9.565 4.939 -10.413 37 HD13 LEU 6 HD13 LEU 6 -10.027 3.366 -9.762 38 HD21 LEU 6 HD21 LEU 6 -8.261 6.534 -8.962 39 HD22 LEU 6 HD22 LEU 6 -7.071 5.286 -8.595 40 HD23 LEU 6 HD23 LEU 6 -7.925 6.103 -7.286 41 H LEU 7 HN LEU 7 -10.548 3.842 -5.554 42 HA LEU 7 HA LEU 7 -9.886 1.092 -6.109 43 HB2 LEU 7 HB2 LEU 7 -8.914 3.089 -4.393 44 HB3 LEU 7 HB1 LEU 7 -9.577 1.841 -3.350 45 HG LEU 7 HG LEU 7 -7.153 1.535 -3.855 46 HD11 LEU 7 HD11 LEU 7 -8.653 -0.274 -3.132 47 HD12 LEU 7 HD12 LEU 7 -7.364 -0.858 -4.187 48 HD13 LEU 7 HD13 LEU 7 -9.003 -0.646 -4.820 49 HD21 LEU 7 HD21 LEU 7 -6.428 0.857 -5.998 50 HD22 LEU 7 HD22 LEU 7 -7.436 2.283 -6.277 51 HD23 LEU 7 HD23 LEU 7 -8.079 0.669 -6.582 52 H THR 8 HN THR 8 -12.248 2.863 -4.339 53 HA THR 8 HA THR 8 -13.205 0.893 -2.601 54 HB THR 8 HB THR 8 -14.473 3.297 -3.852 55 HG1 THR 8 HG1 THR 8 -12.899 3.661 -2.264 56 HG21 THR 8 HG21 THR 8 -16.325 3.067 -2.216 57 HG22 THR 8 HG22 THR 8 -15.733 1.455 -1.825 58 HG23 THR 8 HG23 THR 8 -16.326 1.804 -3.445 59 H SER 9 HN SER 9 -13.816 1.437 -6.003 60 HA SER 9 HA SER 9 -16.024 -0.305 -6.281 61 HB2 SER 9 HB2 SER 9 -13.934 0.742 -8.175 62 HB3 SER 9 HB1 SER 9 -15.160 -0.413 -8.718 63 HG SER 9 HG SER 9 -15.355 2.264 -8.143 64 H LYS 10 HN LYS 10 -12.601 -0.816 -5.970 65 HA LYS 10 HA LYS 10 -12.622 -3.582 -6.688 66 HB2 LYS 10 HB2 LYS 10 -10.597 -1.898 -6.438 67 HB3 LYS 10 HB1 LYS 10 -10.650 -2.395 -4.754 68 HG2 LYS 10 HG2 LYS 10 -9.580 -3.787 -7.083 69 HG3 LYS 10 HG1 LYS 10 -9.217 -3.986 -5.375 70 HD2 LYS 10 HD2 LYS 10 -10.141 -6.017 -5.796 71 HD3 LYS 10 HD1 LYS 10 -11.602 -5.121 -5.386 72 HE2 LYS 10 HE2 LYS 10 -12.192 -6.248 -7.316 73 HE3 LYS 10 HE1 LYS 10 -11.751 -4.651 -7.911 74 HZ1 LYS 10 HZ1 LYS 10 -10.005 -7.050 -7.954 75 HZ2 LYS 10 HZ2 LYS 10 -9.570 -5.512 -8.504 76 HZ3 LYS 10 HZ3 LYS 10 -10.795 -6.375 -9.287 77 H LEU 11 HN LEU 11 -12.340 -1.922 -3.555 78 HA LEU 11 HA LEU 11 -12.409 -4.252 -2.003 79 HB2 LEU 11 HB2 LEU 11 -13.275 -1.495 -1.161 80 HB3 LEU 11 HB1 LEU 11 -12.915 -2.821 -0.085 81 HG LEU 11 HG LEU 11 -10.958 -1.653 0.044 82 HD11 LEU 11 HD11 LEU 11 -10.499 -3.332 -2.409 83 HD12 LEU 11 HD12 LEU 11 -10.511 -3.931 -0.748 84 HD13 LEU 11 HD13 LEU 11 -9.269 -2.784 -1.264 85 HD21 LEU 11 HD21 LEU 11 -10.964 -1.037 -2.898 86 HD22 LEU 11 HD22 LEU 11 -10.010 -0.280 -1.616 87 HD23 LEU 11 HD23 LEU 11 -11.750 0.003 -1.706 88 H ALA 12 HN ALA 12 -14.966 -2.418 -3.400 89 HA ALA 12 HA ALA 12 -17.155 -3.247 -1.896 90 HB1 ALA 12 HB1 ALA 12 -17.303 -1.537 -3.614 91 HB2 ALA 12 HB2 ALA 12 -18.457 -2.828 -3.955 92 HB3 ALA 12 HB3 ALA 12 -16.945 -2.731 -4.863 93 H GLY 13 HN GLY 13 -15.220 -4.951 -4.212 94 HA2 GLY 13 HA2 GLY 13 -17.125 -7.129 -4.494 95 HA3 GLY 13 HA1 GLY 13 -15.557 -6.988 -5.284 96 H LEU 14 HN LEU 14 -14.707 -6.289 -2.290 97 HA LEU 14 HA LEU 14 -14.007 -9.079 -1.739 98 HB2 LEU 14 HB2 LEU 14 -12.702 -6.507 -0.981 99 HB3 LEU 14 HB1 LEU 14 -12.222 -8.026 -0.317 100 HG LEU 14 HG LEU 14 -10.696 -7.961 -1.936 101 HD11 LEU 14 HD11 LEU 14 -11.347 -9.107 -3.957 102 HD12 LEU 14 HD12 LEU 14 -13.044 -8.744 -3.637 103 HD13 LEU 14 HD13 LEU 14 -12.155 -9.819 -2.555 104 HD21 LEU 14 HD21 LEU 14 -10.970 -6.639 -4.000 105 HD22 LEU 14 HD22 LEU 14 -11.149 -5.710 -2.510 106 HD23 LEU 14 HD23 LEU 14 -12.575 -6.178 -3.436 107 H THR 15 HN THR 15 -13.542 -9.551 0.480 108 HA THR 15 HA THR 15 -15.265 -8.224 2.437 109 HB THR 15 HB THR 15 -14.824 -10.154 3.840 110 HG1 THR 15 HG1 THR 15 -13.398 -11.788 2.359 111 HG21 THR 15 HG21 THR 15 -15.629 -11.986 2.398 112 HG22 THR 15 HG22 THR 15 -15.250 -11.010 0.974 113 HG23 THR 15 HG23 THR 15 -16.505 -10.484 2.099 114 H ALA 16 HN ALA 16 -14.038 -7.836 4.610 115 HA ALA 16 HA ALA 16 -12.057 -5.971 4.251 116 HB1 ALA 16 HB1 ALA 16 -11.517 -6.221 6.615 117 HB2 ALA 16 HB2 ALA 16 -12.340 -7.781 6.655 118 HB3 ALA 16 HB3 ALA 16 -13.261 -6.306 6.368 119 H THR 17 HN THR 17 -11.618 -9.446 4.760 120 HA THR 17 HA THR 17 -8.809 -9.421 4.932 121 HB THR 17 HB THR 17 -10.674 -11.640 4.082 122 HG1 THR 17 HG1 THR 17 -10.394 -10.485 6.405 123 HG21 THR 17 HG21 THR 17 -7.789 -11.756 4.955 124 HG22 THR 17 HG22 THR 17 -8.394 -12.067 3.329 125 HG23 THR 17 HG23 THR 17 -8.829 -13.147 4.653 126 H GLU 18 HN GLU 18 -10.967 -9.946 2.125 127 HA GLU 18 HA GLU 18 -8.822 -10.367 0.335 128 HB2 GLU 18 HB2 GLU 18 -11.700 -9.659 -0.140 129 HB3 GLU 18 HB1 GLU 18 -10.570 -10.173 -1.371 130 HG2 GLU 18 HG2 GLU 18 -10.351 -12.324 -0.268 131 HG3 GLU 18 HG1 GLU 18 -11.466 -11.785 0.986 132 H GLN 19 HN GLN 19 -10.631 -7.602 1.449 133 HA GLN 19 HA GLN 19 -9.683 -5.703 -0.391 134 HB2 GLN 19 HB2 GLN 19 -10.424 -5.399 2.520 135 HB3 GLN 19 HB1 GLN 19 -10.249 -4.072 1.389 136 HG2 GLN 19 HG2 GLN 19 -12.061 -4.917 0.069 137 HG3 GLN 19 HG1 GLN 19 -12.200 -6.325 1.100 138 HE21 GLN 19 HE21 GLN 19 -14.244 -4.504 0.457 139 HE22 GLN 19 HE22 GLN 19 -14.759 -3.763 1.931 140 H ARG 20 HN ARG 20 -8.374 -6.961 2.632 141 HA ARG 20 HA ARG 20 -5.962 -5.509 2.708 142 HB2 ARG 20 HB2 ARG 20 -5.984 -8.458 3.292 143 HB3 ARG 20 HB1 ARG 20 -5.083 -7.184 4.097 144 HG2 ARG 20 HG2 ARG 20 -7.130 -6.381 5.112 145 HG3 ARG 20 HG1 ARG 20 -8.051 -7.646 4.288 146 HD2 ARG 20 HD2 ARG 20 -7.630 -8.330 6.554 147 HD3 ARG 20 HD1 ARG 20 -6.661 -9.321 5.473 148 HE ARG 20 HE ARG 20 -5.005 -7.268 6.226 149 HH11 ARG 20 HH11 ARG 20 -6.809 -9.776 7.867 150 HH12 ARG 20 HH12 ARG 20 -5.719 -9.854 9.215 151 HH21 ARG 20 HH21 ARG 20 -3.569 -7.357 8.017 152 HH22 ARG 20 HH22 ARG 20 -3.888 -8.493 9.297 153 H ALA 21 HN ALA 21 -6.817 -8.516 1.122 154 HA ALA 21 HA ALA 21 -4.288 -9.199 0.143 155 HB1 ALA 21 HB1 ALA 21 -6.171 -10.761 0.337 156 HB2 ALA 21 HB2 ALA 21 -5.433 -10.795 -1.265 157 HB3 ALA 21 HB3 ALA 21 -6.962 -9.951 -1.014 158 H VAL 22 HN VAL 22 -6.867 -7.338 -1.382 159 HA VAL 22 HA VAL 22 -5.693 -7.399 -3.957 160 HB VAL 22 HB VAL 22 -7.282 -5.513 -4.493 161 HG11 VAL 22 HG11 VAL 22 -9.180 -6.930 -4.544 162 HG12 VAL 22 HG12 VAL 22 -8.606 -7.866 -3.160 163 HG13 VAL 22 HG13 VAL 22 -7.769 -7.976 -4.713 164 HG21 VAL 22 HG21 VAL 22 -7.456 -4.489 -2.311 165 HG22 VAL 22 HG22 VAL 22 -8.109 -5.978 -1.626 166 HG23 VAL 22 HG23 VAL 22 -9.045 -5.065 -2.813 167 H THR 23 HN THR 23 -5.637 -4.806 -1.457 168 HA THR 23 HA THR 23 -3.693 -3.496 -3.173 169 HB THR 23 HB THR 23 -5.181 -1.980 -2.297 170 HG1 THR 23 HG1 THR 23 -2.656 -1.815 -1.071 171 HG21 THR 23 HG21 THR 23 -5.897 -3.239 -0.291 172 HG22 THR 23 HG22 THR 23 -5.568 -1.534 0.037 173 HG23 THR 23 HG23 THR 23 -4.383 -2.762 0.476 174 H ARG 24 HN ARG 24 -3.614 -5.715 -0.593 175 HA ARG 24 HA ARG 24 -0.937 -5.273 0.180 176 HB2 ARG 24 HB2 ARG 24 -2.058 -7.043 1.295 177 HB3 ARG 24 HB1 ARG 24 -2.578 -7.774 -0.216 178 HG2 ARG 24 HG2 ARG 24 0.136 -7.849 -0.456 179 HG3 ARG 24 HG1 ARG 24 -0.092 -8.104 1.275 180 HD2 ARG 24 HD2 ARG 24 -0.039 -10.165 -0.171 181 HD3 ARG 24 HD1 ARG 24 -1.422 -10.013 0.918 182 HE ARG 24 HE ARG 24 -2.306 -8.942 -1.422 183 HH11 ARG 24 HH11 ARG 24 -0.822 -11.996 -0.583 184 HH12 ARG 24 HH12 ARG 24 -1.621 -12.874 -1.849 185 HH21 ARG 24 HH21 ARG 24 -3.365 -10.105 -3.091 186 HH22 ARG 24 HH22 ARG 24 -3.060 -11.806 -3.266 187 H LYS 25 HN LYS 25 -2.473 -6.101 -2.706 188 HA LYS 25 HA LYS 25 -0.045 -6.928 -4.028 189 HB2 LYS 25 HB2 LYS 25 -1.750 -8.309 -4.705 190 HB3 LYS 25 HB1 LYS 25 -2.978 -7.080 -4.503 191 HG2 LYS 25 HG2 LYS 25 -2.776 -7.697 -6.815 192 HG3 LYS 25 HG1 LYS 25 -2.278 -6.028 -6.564 193 HD2 LYS 25 HD2 LYS 25 0.058 -6.671 -6.686 194 HD3 LYS 25 HD1 LYS 25 -0.389 -8.375 -6.792 195 HE2 LYS 25 HE2 LYS 25 0.184 -7.526 -8.987 196 HE3 LYS 25 HE1 LYS 25 -1.530 -7.928 -8.921 197 HZ1 LYS 25 HZ1 LYS 25 -2.035 -5.588 -8.623 198 HZ2 LYS 25 HZ2 LYS 25 -1.142 -5.819 -10.041 199 HZ3 LYS 25 HZ3 LYS 25 -0.392 -5.199 -8.662 200 H LEU 26 HN LEU 26 -2.423 -4.249 -3.858 201 HA LEU 26 HA LEU 26 -1.293 -2.766 -5.985 202 HB2 LEU 26 HB2 LEU 26 -3.561 -2.392 -5.322 203 HB3 LEU 26 HB1 LEU 26 -3.068 -1.982 -3.697 204 HG LEU 26 HG LEU 26 -3.799 -0.099 -5.261 205 HD11 LEU 26 HD11 LEU 26 -2.449 1.437 -4.099 206 HD12 LEU 26 HD12 LEU 26 -1.179 0.232 -3.873 207 HD13 LEU 26 HD13 LEU 26 -2.720 0.052 -3.030 208 HD21 LEU 26 HD21 LEU 26 -2.442 -0.750 -7.184 209 HD22 LEU 26 HD22 LEU 26 -0.987 -0.423 -6.243 210 HD23 LEU 26 HD23 LEU 26 -2.096 0.895 -6.640 211 H VAL 27 HN VAL 27 -0.948 -2.339 -2.418 212 HA VAL 27 HA VAL 27 0.887 -0.242 -2.558 213 HB VAL 27 HB VAL 27 -0.062 -0.789 -0.398 214 HG11 VAL 27 HG11 VAL 27 0.760 -2.806 0.842 215 HG12 VAL 27 HG12 VAL 27 1.399 -3.397 -0.697 216 HG13 VAL 27 HG13 VAL 27 -0.331 -3.140 -0.504 217 HG21 VAL 27 HG21 VAL 27 1.941 -0.755 0.989 218 HG22 VAL 27 HG22 VAL 27 2.151 0.285 -0.420 219 HG23 VAL 27 HG23 VAL 27 2.915 -1.309 -0.376 220 H LEU 28 HN LEU 28 1.262 -3.648 -2.724 221 HA LEU 28 HA LEU 28 4.037 -3.908 -2.778 222 HB2 LEU 28 HB2 LEU 28 1.909 -5.569 -2.813 223 HB3 LEU 28 HB1 LEU 28 2.379 -5.657 -4.494 224 HG LEU 28 HG LEU 28 4.487 -6.611 -3.941 225 HD11 LEU 28 HD11 LEU 28 3.760 -5.950 -1.103 226 HD12 LEU 28 HD12 LEU 28 5.091 -5.283 -2.053 227 HD13 LEU 28 HD13 LEU 28 5.115 -6.980 -1.572 228 HD21 LEU 28 HD21 LEU 28 2.722 -8.218 -3.939 229 HD22 LEU 28 HD22 LEU 28 2.216 -7.743 -2.315 230 HD23 LEU 28 HD23 LEU 28 3.755 -8.582 -2.553 231 H ASP 29 HN ASP 29 1.674 -3.476 -5.312 232 HA ASP 29 HA ASP 29 3.399 -3.657 -7.540 233 HB2 ASP 29 HB2 ASP 29 0.915 -3.865 -7.626 234 HB3 ASP 29 HB1 ASP 29 0.803 -2.151 -7.277 235 H GLN 30 HN GLN 30 2.067 -0.956 -5.720 236 HA GLN 30 HA GLN 30 3.246 1.127 -7.130 237 HB2 GLN 30 HB2 GLN 30 2.636 0.969 -4.202 238 HB3 GLN 30 HB1 GLN 30 2.810 2.437 -5.146 239 HG2 GLN 30 HG2 GLN 30 0.624 0.378 -5.387 240 HG3 GLN 30 HG1 GLN 30 0.496 2.025 -4.783 241 HE21 GLN 30 HE21 GLN 30 0.814 0.020 -7.583 242 HE22 GLN 30 HE22 GLN 30 0.431 1.240 -8.751 243 H ALA 31 HN ALA 31 4.312 -0.610 -4.269 244 HA ALA 31 HA ALA 31 6.704 0.801 -3.797 245 HB1 ALA 31 HB1 ALA 31 7.314 -1.104 -2.424 246 HB2 ALA 31 HB2 ALA 31 6.084 -2.098 -3.216 247 HB3 ALA 31 HB3 ALA 31 5.602 -0.737 -2.196 248 H ALA 32 HN ALA 32 5.804 -1.726 -5.924 249 HA ALA 32 HA ALA 32 8.388 -2.586 -6.695 250 HB1 ALA 32 HB1 ALA 32 5.562 -2.894 -7.667 251 HB2 ALA 32 HB2 ALA 32 6.739 -4.131 -7.165 252 HB3 ALA 32 HB3 ALA 32 6.893 -3.356 -8.742 253 H SER 33 HN SER 33 6.006 -0.317 -7.983 254 HA SER 33 HA SER 33 7.414 0.435 -10.297 255 HB2 SER 33 HB2 SER 33 5.080 0.960 -10.074 256 HB3 SER 33 HB1 SER 33 5.369 1.862 -8.588 257 HG SER 33 HG SER 33 6.737 2.699 -10.876 258 H VAL 34 HN VAL 34 7.485 1.558 -6.981 259 HA VAL 34 HA VAL 34 9.124 3.808 -7.285 260 HB VAL 34 HB VAL 34 9.153 1.946 -4.927 261 HG11 VAL 34 HG11 VAL 34 10.799 3.656 -4.766 262 HG12 VAL 34 HG12 VAL 34 9.469 4.104 -3.696 263 HG13 VAL 34 HG13 VAL 34 9.646 4.892 -5.263 264 HG21 VAL 34 HG21 VAL 34 7.293 3.182 -4.024 265 HG22 VAL 34 HG22 VAL 34 6.869 2.377 -5.529 266 HG23 VAL 34 HG23 VAL 34 7.172 4.115 -5.513 267 H LEU 35 HN LEU 35 9.833 0.584 -6.131 268 HA LEU 35 HA LEU 35 12.543 0.988 -5.765 269 HB2 LEU 35 HB2 LEU 35 10.579 -1.117 -5.626 270 HB3 LEU 35 HB1 LEU 35 12.181 -1.721 -6.016 271 HG LEU 35 HG LEU 35 12.979 -1.282 -3.917 272 HD11 LEU 35 HD11 LEU 35 12.098 0.496 -2.425 273 HD12 LEU 35 HD12 LEU 35 11.008 0.999 -3.724 274 HD13 LEU 35 HD13 LEU 35 12.755 1.125 -3.936 275 HD21 LEU 35 HD21 LEU 35 10.017 -1.572 -3.752 276 HD22 LEU 35 HD22 LEU 35 11.005 -1.481 -2.288 277 HD23 LEU 35 HD23 LEU 35 11.275 -2.775 -3.454 278 H GLY 36 HN GLY 36 10.803 -0.225 -8.585 279 HA2 GLY 36 HA2 GLY 36 12.179 0.271 -10.675 280 HA3 GLY 36 HA1 GLY 36 13.412 -0.671 -9.854 281 H TYR 37 HN TYR 37 10.228 -1.694 -9.387 282 HA TYR 37 HA TYR 37 10.935 -4.173 -10.769 283 HB2 TYR 37 HB2 TYR 37 8.749 -3.675 -8.756 284 HB3 TYR 37 HB1 TYR 37 9.377 -5.232 -9.266 285 HD1 TYR 37 HD1 TYR 37 9.151 -4.342 -6.403 286 HD2 TYR 37 HD2 TYR 37 12.304 -4.009 -9.219 287 HE1 TYR 37 HE1 TYR 37 10.761 -4.304 -4.563 288 HE2 TYR 37 HE2 TYR 37 13.929 -3.944 -7.404 289 HH TYR 37 HH TYR 37 13.116 -4.755 -4.176 290 H ALA 38 HN ALA 38 9.039 -5.421 -11.640 291 HA ALA 38 HA ALA 38 7.071 -3.631 -12.896 292 HB1 ALA 38 HB1 ALA 38 7.391 -4.727 -15.040 293 HB2 ALA 38 HB2 ALA 38 8.631 -5.768 -14.341 294 HB3 ALA 38 HB3 ALA 38 8.911 -4.032 -14.477 295 H SER 39 HN SER 39 7.662 -6.390 -11.123 296 HA SER 39 HA SER 39 4.925 -7.286 -11.466 297 HB2 SER 39 HB2 SER 39 7.290 -9.104 -11.981 298 HB3 SER 39 HB1 SER 39 5.620 -9.648 -11.827 299 HG SER 39 HG SER 39 5.930 -7.609 -13.629 300 H THR 40 HN THR 40 6.547 -6.034 -9.386 301 HA THR 40 HA THR 40 7.204 -6.198 -7.210 302 HB THR 40 HB THR 40 5.637 -7.427 -5.715 303 HG1 THR 40 HG1 THR 40 5.072 -8.764 -7.982 304 HG21 THR 40 HG21 THR 40 4.461 -5.676 -7.868 305 HG22 THR 40 HG22 THR 40 5.076 -5.175 -6.287 306 HG23 THR 40 HG23 THR 40 3.596 -6.132 -6.399 307 H GLU 41 HN GLU 41 8.725 -7.734 -8.870 308 HA GLU 41 HA GLU 41 8.825 -10.471 -8.358 309 HB2 GLU 41 HB2 GLU 41 11.171 -10.269 -9.337 310 HB3 GLU 41 HB1 GLU 41 9.827 -9.724 -10.329 311 HG2 GLU 41 HG2 GLU 41 11.137 -7.680 -8.656 312 HG3 GLU 41 HG1 GLU 41 12.067 -8.322 -10.010 313 H SER 42 HN SER 42 10.655 -7.852 -6.781 314 HA SER 42 HA SER 42 11.793 -9.911 -5.022 315 HB2 SER 42 HB2 SER 42 13.646 -8.116 -4.711 316 HB3 SER 42 HB1 SER 42 13.622 -9.060 -6.204 317 HG SER 42 HG SER 42 13.819 -6.942 -6.801 318 H LEU 43 HN LEU 43 9.292 -8.580 -4.580 319 HA LEU 43 HA LEU 43 9.898 -6.919 -2.250 320 HB2 LEU 43 HB2 LEU 43 7.396 -7.403 -3.830 321 HB3 LEU 43 HB1 LEU 43 7.407 -6.511 -2.318 322 HG LEU 43 HG LEU 43 9.062 -5.732 -4.710 323 HD11 LEU 43 HD11 LEU 43 7.390 -4.000 -5.085 324 HD12 LEU 43 HD12 LEU 43 6.386 -4.702 -3.813 325 HD13 LEU 43 HD13 LEU 43 6.719 -5.620 -5.281 326 HD21 LEU 43 HD21 LEU 43 8.310 -4.344 -2.151 327 HD22 LEU 43 HD22 LEU 43 9.147 -3.581 -3.500 328 HD23 LEU 43 HD23 LEU 43 9.915 -4.905 -2.621 329 H ASP 44 HN ASP 44 8.330 -7.183 -0.417 330 HA ASP 44 HA ASP 44 7.347 -9.895 -0.006 331 HB2 ASP 44 HB2 ASP 44 9.792 -9.421 0.998 332 HB3 ASP 44 HB1 ASP 44 8.839 -8.666 2.267 333 H THR 45 HN THR 45 5.576 -9.928 1.378 334 HA THR 45 HA THR 45 4.584 -7.295 2.172 335 HB THR 45 HB THR 45 2.438 -8.552 2.614 336 HG1 THR 45 HG1 THR 45 3.484 -10.602 0.977 337 HG21 THR 45 HG21 THR 45 1.882 -8.751 0.211 338 HG22 THR 45 HG22 THR 45 3.593 -8.537 -0.164 339 HG23 THR 45 HG23 THR 45 2.691 -7.243 0.627 340 H HIS 46 HN HIS 46 6.215 -9.919 3.422 341 HA HIS 46 HA HIS 46 5.118 -9.537 6.121 342 HB2 HIS 46 HB2 HIS 46 6.908 -11.695 4.988 343 HB3 HIS 46 HB1 HIS 46 6.445 -11.586 6.678 344 HD1 HIS 46 HD1 HIS 46 4.626 -13.150 7.215 345 HD2 HIS 46 HD2 HIS 46 4.323 -11.686 3.338 346 HE1 HIS 46 HE1 HIS 46 2.602 -14.270 6.226 347 HE2 HIS 46 HE2 HIS 46 2.570 -13.525 3.822 348 H GLU 47 HN GLU 47 7.453 -8.296 4.209 349 HA GLU 47 HA GLU 47 9.263 -7.840 6.473 350 HB2 GLU 47 HB2 GLU 47 11.060 -8.312 5.220 351 HB3 GLU 47 HB1 GLU 47 9.925 -9.106 4.143 352 HG2 GLU 47 HG2 GLU 47 9.749 -6.953 2.878 353 HG3 GLU 47 HG1 GLU 47 11.060 -6.338 3.889 354 H SER 48 HN SER 48 10.193 -5.735 6.570 355 HA SER 48 HA SER 48 8.092 -3.829 6.041 356 HB2 SER 48 HB2 SER 48 10.679 -3.202 7.435 357 HB3 SER 48 HB1 SER 48 9.065 -2.555 7.730 358 HG SER 48 HG SER 48 9.168 -3.982 9.314 359 H PHE 49 HN PHE 49 8.324 -1.894 4.961 360 HA PHE 49 HA PHE 49 9.649 -1.870 2.535 361 HB2 PHE 49 HB2 PHE 49 8.722 0.492 4.152 362 HB3 PHE 49 HB1 PHE 49 9.173 0.556 2.456 363 HD1 PHE 49 HD1 PHE 49 7.744 -0.284 0.763 364 HD2 PHE 49 HD2 PHE 49 6.679 -0.622 4.861 365 HE1 PHE 49 HE1 PHE 49 5.459 -0.887 0.116 366 HE2 PHE 49 HE2 PHE 49 4.384 -1.227 4.219 367 HZ PHE 49 HZ PHE 49 3.737 -1.254 1.895 368 H LYS 50 HN LYS 50 10.729 -0.728 5.619 369 HA LYS 50 HA LYS 50 13.069 0.522 5.161 370 HB2 LYS 50 HB2 LYS 50 12.110 -0.251 7.341 371 HB3 LYS 50 HB1 LYS 50 12.720 -1.852 6.981 372 HG2 LYS 50 HG2 LYS 50 14.169 -0.681 8.519 373 HG3 LYS 50 HG1 LYS 50 14.991 -1.040 7.005 374 HD2 LYS 50 HD2 LYS 50 15.545 1.200 7.756 375 HD3 LYS 50 HD1 LYS 50 14.606 1.272 6.267 376 HE2 LYS 50 HE2 LYS 50 12.624 1.868 7.474 377 HE3 LYS 50 HE1 LYS 50 13.425 1.592 9.020 378 HZ1 LYS 50 HZ1 LYS 50 14.149 3.693 7.053 379 HZ2 LYS 50 HZ2 LYS 50 14.913 3.428 8.537 380 HZ3 LYS 50 HZ3 LYS 50 13.303 3.944 8.495 381 H ASP 51 HN ASP 51 12.647 -2.968 5.178 382 HA ASP 51 HA ASP 51 15.253 -3.559 4.201 383 HB2 ASP 51 HB2 ASP 51 13.723 -5.090 5.547 384 HB3 ASP 51 HB1 ASP 51 12.865 -5.386 4.042 385 H LEU 52 HN LEU 52 12.221 -2.834 2.689 386 HA LEU 52 HA LEU 52 12.840 -3.833 0.095 387 HB2 LEU 52 HB2 LEU 52 10.806 -1.921 1.178 388 HB3 LEU 52 HB1 LEU 52 10.984 -2.134 -0.537 389 HG LEU 52 HG LEU 52 10.411 -4.516 -0.319 390 HD11 LEU 52 HD11 LEU 52 10.091 -3.829 2.583 391 HD12 LEU 52 HD12 LEU 52 11.232 -4.977 1.881 392 HD13 LEU 52 HD13 LEU 52 9.499 -5.307 1.829 393 HD21 LEU 52 HD21 LEU 52 8.465 -2.632 0.981 394 HD22 LEU 52 HD22 LEU 52 8.074 -4.249 0.395 395 HD23 LEU 52 HD23 LEU 52 8.598 -3.000 -0.741 396 H GLY 53 HN GLY 53 13.724 -1.093 1.901 397 HA2 GLY 53 HA2 GLY 53 15.707 0.041 1.219 398 HA3 GLY 53 HA1 GLY 53 15.183 -0.102 -0.446 399 H PHE 54 HN PHE 54 12.592 0.768 1.571 400 HA PHE 54 HA PHE 54 12.490 3.324 0.320 401 HB2 PHE 54 HB2 PHE 54 10.739 2.014 2.401 402 HB3 PHE 54 HB1 PHE 54 10.437 3.623 1.748 403 HD1 PHE 54 HD1 PHE 54 9.637 3.935 -0.478 404 HD2 PHE 54 HD2 PHE 54 10.589 0.065 0.983 405 HE1 PHE 54 HE1 PHE 54 8.445 2.940 -2.373 406 HE2 PHE 54 HE2 PHE 54 9.413 -0.953 -0.900 407 HZ PHE 54 HZ PHE 54 8.468 0.537 -2.717 408 H ASP 55 HN ASP 55 12.166 5.349 1.431 409 HA ASP 55 HA ASP 55 13.263 5.818 4.018 410 HB2 ASP 55 HB2 ASP 55 15.271 5.306 2.368 411 HB3 ASP 55 HB1 ASP 55 14.973 6.959 1.836 412 H SER 56 HN SER 56 14.165 8.490 3.526 413 HA SER 56 HA SER 56 11.631 9.813 3.259 414 HB2 SER 56 HB2 SER 56 14.392 11.039 3.466 415 HB3 SER 56 HB1 SER 56 12.855 11.834 3.813 416 HG SER 56 HG SER 56 12.676 9.899 5.366 417 H LEU 57 HN LEU 57 12.420 8.474 0.912 418 HA LEU 57 HA LEU 57 12.340 10.617 -1.045 419 HB2 LEU 57 HB2 LEU 57 14.106 8.197 -1.230 420 HB3 LEU 57 HB1 LEU 57 13.986 9.474 -2.424 421 HG LEU 57 HG LEU 57 14.979 9.889 0.386 422 HD11 LEU 57 HD11 LEU 57 16.447 8.334 -0.767 423 HD12 LEU 57 HD12 LEU 57 17.233 9.902 -0.580 424 HD13 LEU 57 HD13 LEU 57 16.562 9.432 -2.142 425 HD21 LEU 57 HD21 LEU 57 14.141 11.891 -0.685 426 HD22 LEU 57 HD22 LEU 57 15.139 11.584 -2.106 427 HD23 LEU 57 HD23 LEU 57 15.898 11.967 -0.560 428 H THR 58 HN THR 58 12.654 7.101 -0.985 429 HA THR 58 HA THR 58 10.854 6.722 -3.134 430 HB THR 58 HB THR 58 11.075 4.259 -2.304 431 HG1 THR 58 HG1 THR 58 13.419 4.649 -1.131 432 HG21 THR 58 HG21 THR 58 12.230 5.200 -4.260 433 HG22 THR 58 HG22 THR 58 13.261 4.077 -3.373 434 HG23 THR 58 HG23 THR 58 13.501 5.816 -3.204 435 H ALA 59 HN ALA 59 10.568 6.286 0.372 436 HA ALA 59 HA ALA 59 8.034 5.172 0.459 437 HB1 ALA 59 HB1 ALA 59 7.882 6.016 2.718 438 HB2 ALA 59 HB2 ALA 59 9.130 7.223 2.394 439 HB3 ALA 59 HB3 ALA 59 9.547 5.511 2.421 440 H LEU 60 HN LEU 60 9.099 8.454 -0.020 441 HA LEU 60 HA LEU 60 6.633 9.750 0.338 442 HB2 LEU 60 HB2 LEU 60 9.114 10.491 -1.196 443 HB3 LEU 60 HB1 LEU 60 7.735 11.565 -1.062 444 HG LEU 60 HG LEU 60 9.537 12.135 0.532 445 HD11 LEU 60 HD11 LEU 60 7.225 12.687 1.067 446 HD12 LEU 60 HD12 LEU 60 8.165 12.310 2.512 447 HD13 LEU 60 HD13 LEU 60 7.042 11.120 1.857 448 HD21 LEU 60 HD21 LEU 60 10.413 9.906 0.970 449 HD22 LEU 60 HD22 LEU 60 8.899 9.463 1.765 450 HD23 LEU 60 HD23 LEU 60 9.936 10.704 2.471 451 H GLU 61 HN GLU 61 8.265 8.595 -2.608 452 HA GLU 61 HA GLU 61 6.054 9.368 -4.261 453 HB2 GLU 61 HB2 GLU 61 7.268 7.817 -5.953 454 HB3 GLU 61 HB1 GLU 61 8.022 9.339 -5.479 455 HG2 GLU 61 HG2 GLU 61 9.346 8.050 -3.798 456 HG3 GLU 61 HG1 GLU 61 8.684 6.581 -4.509 457 H LEU 62 HN LEU 62 6.954 6.468 -2.534 458 HA LEU 62 HA LEU 62 5.010 4.753 -3.720 459 HB2 LEU 62 HB2 LEU 62 6.772 3.804 -2.392 460 HB3 LEU 62 HB1 LEU 62 6.277 4.734 -0.995 461 HG LEU 62 HG LEU 62 4.161 3.499 -0.909 462 HD11 LEU 62 HD11 LEU 62 3.885 2.992 -3.236 463 HD12 LEU 62 HD12 LEU 62 3.895 1.495 -2.299 464 HD13 LEU 62 HD13 LEU 62 5.321 1.971 -3.218 465 HD21 LEU 62 HD21 LEU 62 6.189 2.766 0.294 466 HD22 LEU 62 HD22 LEU 62 6.524 1.656 -1.036 467 HD23 LEU 62 HD23 LEU 62 5.057 1.464 -0.071 468 H ARG 63 HN ARG 63 5.030 6.780 -0.833 469 HA ARG 63 HA ARG 63 2.434 6.272 0.074 470 HB2 ARG 63 HB2 ARG 63 3.905 7.478 1.491 471 HB3 ARG 63 HB1 ARG 63 4.310 8.631 0.229 472 HG2 ARG 63 HG2 ARG 63 1.681 9.114 0.433 473 HG3 ARG 63 HG1 ARG 63 2.024 8.588 2.085 474 HD2 ARG 63 HD2 ARG 63 2.265 11.012 1.848 475 HD3 ARG 63 HD1 ARG 63 3.797 10.246 2.259 476 HE ARG 63 HE ARG 63 4.507 10.563 -0.015 477 HH11 ARG 63 HH11 ARG 63 1.559 12.237 0.883 478 HH12 ARG 63 HH12 ARG 63 1.665 13.381 -0.420 479 HH21 ARG 63 HH21 ARG 63 4.642 12.071 -1.733 480 HH22 ARG 63 HH22 ARG 63 3.412 13.285 -1.905 481 H ASP 64 HN ASP 64 3.811 8.619 -2.137 482 HA ASP 64 HA ASP 64 1.572 9.960 -3.029 483 HB2 ASP 64 HB2 ASP 64 3.955 10.465 -3.562 484 HB3 ASP 64 HB1 ASP 64 3.943 9.102 -4.666 485 H HIS 65 HN HIS 65 2.973 6.905 -4.117 486 HA HIS 65 HA HIS 65 1.228 6.401 -6.248 487 HB2 HIS 65 HB2 HIS 65 2.789 4.555 -4.486 488 HB3 HIS 65 HB1 HIS 65 1.869 3.999 -5.860 489 HD1 HIS 65 HD1 HIS 65 2.848 6.541 -7.680 490 HD2 HIS 65 HD2 HIS 65 5.151 3.815 -5.589 491 HE1 HIS 65 HE1 HIS 65 5.145 6.621 -8.728 492 HE2 HIS 65 HE2 HIS 65 6.533 5.044 -7.384 493 H LEU 66 HN LEU 66 1.014 5.498 -2.793 494 HA LEU 66 HA LEU 66 -1.195 3.765 -3.132 495 HB2 LEU 66 HB2 LEU 66 0.016 5.190 -0.815 496 HB3 LEU 66 HB1 LEU 66 -1.503 4.354 -0.612 497 HG LEU 66 HG LEU 66 -0.549 2.266 -0.775 498 HD11 LEU 66 HD11 LEU 66 1.580 1.764 -1.855 499 HD12 LEU 66 HD12 LEU 66 1.779 3.470 -2.258 500 HD13 LEU 66 HD13 LEU 66 0.460 2.542 -2.971 501 HD21 LEU 66 HD21 LEU 66 1.652 4.039 0.242 502 HD22 LEU 66 HD22 LEU 66 1.580 2.292 0.470 503 HD23 LEU 66 HD23 LEU 66 0.341 3.327 1.182 504 H GLN 67 HN GLN 67 -0.960 7.174 -2.334 505 HA GLN 67 HA GLN 67 -3.752 7.547 -1.837 506 HB2 GLN 67 HB2 GLN 67 -1.863 9.703 -2.728 507 HB3 GLN 67 HB1 GLN 67 -3.257 9.843 -1.664 508 HG2 GLN 67 HG2 GLN 67 -2.150 8.901 0.125 509 HG3 GLN 67 HG1 GLN 67 -0.966 8.123 -0.932 510 HE21 GLN 67 HE21 GLN 67 -0.328 10.355 -2.492 511 HE22 GLN 67 HE22 GLN 67 0.578 11.445 -1.515 512 H THR 68 HN THR 68 -1.635 7.833 -4.603 513 HA THR 68 HA THR 68 -3.499 8.900 -6.395 514 HB THR 68 HB THR 68 -0.885 7.491 -6.479 515 HG1 THR 68 HG1 THR 68 -0.497 9.564 -6.270 516 HG21 THR 68 HG21 THR 68 -0.790 7.679 -8.921 517 HG22 THR 68 HG22 THR 68 -2.485 8.170 -8.945 518 HG23 THR 68 HG23 THR 68 -2.038 6.555 -8.392 519 H ALA 69 HN ALA 69 -2.335 5.691 -5.725 520 HA ALA 69 HA ALA 69 -3.917 4.167 -7.380 521 HB1 ALA 69 HB1 ALA 69 -2.011 3.307 -6.188 522 HB2 ALA 69 HB2 ALA 69 -3.442 2.339 -5.822 523 HB3 ALA 69 HB3 ALA 69 -2.851 3.522 -4.654 524 H THR 70 HN THR 70 -4.558 5.073 -3.990 525 HA THR 70 HA THR 70 -7.115 3.668 -4.105 526 HB THR 70 HB THR 70 -7.228 4.054 -1.692 527 HG1 THR 70 HG1 THR 70 -4.695 5.324 -1.794 528 HG21 THR 70 HG21 THR 70 -5.250 2.830 -1.012 529 HG22 THR 70 HG22 THR 70 -4.441 3.256 -2.519 530 HG23 THR 70 HG23 THR 70 -5.848 2.186 -2.541 531 H GLY 71 HN GLY 71 -5.859 6.912 -3.781 532 HA2 GLY 71 HA2 GLY 71 -7.075 8.858 -4.386 533 HA3 GLY 71 HA1 GLY 71 -8.571 7.971 -4.137 534 H LEU 72 HN LEU 72 -6.598 7.201 -1.662 535 HA LEU 72 HA LEU 72 -8.221 8.844 0.122 536 HB2 LEU 72 HB2 LEU 72 -6.670 6.289 0.427 537 HB3 LEU 72 HB1 LEU 72 -7.217 7.182 1.830 538 HG LEU 72 HG LEU 72 -8.696 5.285 1.212 539 HD11 LEU 72 HD11 LEU 72 -9.532 7.251 2.454 540 HD12 LEU 72 HD12 LEU 72 -10.769 6.424 1.508 541 HD13 LEU 72 HD13 LEU 72 -10.075 7.942 0.923 542 HD21 LEU 72 HD21 LEU 72 -10.165 5.440 -0.707 543 HD22 LEU 72 HD22 LEU 72 -8.479 5.390 -1.213 544 HD23 LEU 72 HD23 LEU 72 -9.356 6.918 -1.227 545 H ASN 73 HN ASN 73 -6.666 8.880 2.401 546 HA ASN 73 HA ASN 73 -4.570 10.742 1.501 547 HB2 ASN 73 HB2 ASN 73 -6.605 11.870 2.379 548 HB3 ASN 73 HB1 ASN 73 -6.354 11.056 3.918 549 HD21 ASN 73 HD21 ASN 73 -6.148 13.014 4.990 550 HD22 ASN 73 HD22 ASN 73 -4.724 13.985 4.857 551 H LEU 74 HN LEU 74 -2.833 9.420 1.802 552 HA LEU 74 HA LEU 74 -2.470 8.159 4.393 553 HB2 LEU 74 HB2 LEU 74 -0.938 7.890 1.812 554 HB3 LEU 74 HB1 LEU 74 -0.555 7.030 3.295 555 HG LEU 74 HG LEU 74 -3.057 6.221 3.094 556 HD11 LEU 74 HD11 LEU 74 -3.798 5.897 0.813 557 HD12 LEU 74 HD12 LEU 74 -2.361 6.723 0.201 558 HD13 LEU 74 HD13 LEU 74 -3.569 7.620 1.121 559 HD21 LEU 74 HD21 LEU 74 -2.228 4.303 1.735 560 HD22 LEU 74 HD22 LEU 74 -1.258 4.701 3.150 561 HD23 LEU 74 HD23 LEU 74 -0.711 5.180 1.541 562 H SER 75 HN SER 75 0.521 8.221 4.297 563 HA SER 75 HA SER 75 0.822 11.032 5.072 564 HB2 SER 75 HB2 SER 75 -0.088 9.805 7.033 565 HB3 SER 75 HB1 SER 75 1.334 8.765 7.005 566 HG SER 75 HG SER 75 1.079 11.075 8.214 567 H SER 76 HN SER 76 3.097 11.472 5.934 568 HA SER 76 HA SER 76 4.904 10.866 3.876 569 HB2 SER 76 HB2 SER 76 6.581 11.930 5.517 570 HB3 SER 76 HB1 SER 76 5.220 12.915 4.980 571 HG SER 76 HG SER 76 4.809 13.140 7.021 572 H THR 77 HN THR 77 4.658 9.587 7.171 573 HA THR 77 HA THR 77 6.857 7.723 6.583 574 HB THR 77 HB THR 77 6.737 7.309 9.113 575 HG1 THR 77 HG1 THR 77 5.889 9.640 9.894 576 HG21 THR 77 HG21 THR 77 8.548 8.541 8.084 577 HG22 THR 77 HG22 THR 77 8.078 9.335 9.588 578 HG23 THR 77 HG23 THR 77 7.565 10.002 8.038 579 H LEU 78 HN LEU 78 4.271 7.519 5.562 580 HA LEU 78 HA LEU 78 2.378 5.994 6.795 581 HB2 LEU 78 HB2 LEU 78 2.235 7.093 4.604 582 HB3 LEU 78 HB1 LEU 78 3.318 5.901 3.943 583 HG LEU 78 HG LEU 78 0.709 5.800 3.599 584 HD11 LEU 78 HD11 LEU 78 0.947 3.337 3.298 585 HD12 LEU 78 HD12 LEU 78 2.573 3.487 3.968 586 HD13 LEU 78 HD13 LEU 78 2.147 4.335 2.469 587 HD21 LEU 78 HD21 LEU 78 1.178 4.637 6.294 588 HD22 LEU 78 HD22 LEU 78 -0.032 3.908 5.233 589 HD23 LEU 78 HD23 LEU 78 -0.171 5.605 5.688 590 H ILE 79 HN ILE 79 4.903 4.674 4.665 591 HA ILE 79 HA ILE 79 4.356 1.966 5.456 592 HB ILE 79 HB ILE 79 6.174 1.381 3.974 593 HG12 ILE 79 HG12 ILE 79 6.761 4.328 4.027 594 HG13 ILE 79 HG11 ILE 79 7.846 3.000 4.426 595 HG21 ILE 79 HG21 ILE 79 4.488 3.617 2.873 596 HG22 ILE 79 HG22 ILE 79 4.058 1.902 2.932 597 HG23 ILE 79 HG23 ILE 79 5.398 2.445 1.918 598 HD11 ILE 79 HD11 ILE 79 6.836 3.847 1.742 599 HD12 ILE 79 HD12 ILE 79 7.637 2.294 2.018 600 HD13 ILE 79 HD13 ILE 79 8.503 3.801 2.320 601 H PHE 80 HN PHE 80 5.768 4.226 7.220 602 HA PHE 80 HA PHE 80 7.619 2.297 8.438 603 HB2 PHE 80 HB2 PHE 80 7.755 5.320 8.471 604 HB3 PHE 80 HB1 PHE 80 8.852 4.248 9.338 605 HD1 PHE 80 HD1 PHE 80 9.044 6.352 6.831 606 HD2 PHE 80 HD2 PHE 80 9.349 2.148 7.383 607 HE1 PHE 80 HE1 PHE 80 10.432 6.187 4.808 608 HE2 PHE 80 HE2 PHE 80 10.736 1.960 5.363 609 HZ PHE 80 HZ PHE 80 11.287 3.994 4.073 610 H ASP 81 HN ASP 81 4.798 4.038 8.633 611 HA ASP 81 HA ASP 81 4.457 3.806 11.491 612 HB2 ASP 81 HB2 ASP 81 3.283 5.441 9.698 613 HB3 ASP 81 HB1 ASP 81 2.164 4.096 9.651 614 H HIS 82 HN HIS 82 3.572 2.332 8.505 615 HA HIS 82 HA HIS 82 2.609 -0.079 9.860 616 HB2 HIS 82 HB2 HIS 82 1.831 0.866 7.094 617 HB3 HIS 82 HB1 HIS 82 1.072 -0.399 8.046 618 HD1 HIS 82 HD1 HIS 82 -0.459 0.374 10.033 619 HD2 HIS 82 HD2 HIS 82 1.028 3.448 7.665 620 HE1 HIS 82 HE1 HIS 82 -1.735 2.430 10.713 621 HE2 HIS 82 HE2 HIS 82 -0.636 4.308 9.449 622 HA PRO 83 HA PRO 83 6.632 -0.947 8.457 623 HB2 PRO 83 HB2 PRO 83 6.695 -3.623 9.086 624 HB3 PRO 83 HB1 PRO 83 6.896 -2.318 10.262 625 HG2 PRO 83 HG2 PRO 83 4.431 -3.898 9.584 626 HG3 PRO 83 HG1 PRO 83 5.053 -3.416 11.178 627 HD2 PRO 83 HD2 PRO 83 3.046 -2.074 10.006 628 HD3 PRO 83 HD1 PRO 83 4.285 -1.234 10.949 629 H THR 84 HN THR 84 4.074 -3.155 7.364 630 HA THR 84 HA THR 84 5.774 -3.796 5.069 631 HB THR 84 HB THR 84 4.733 -5.999 5.041 632 HG1 THR 84 HG1 THR 84 3.540 -6.442 7.165 633 HG21 THR 84 HG21 THR 84 5.858 -5.282 7.754 634 HG22 THR 84 HG22 THR 84 6.798 -5.716 6.328 635 HG23 THR 84 HG23 THR 84 5.745 -6.911 7.085 636 HA PRO 85 HA PRO 85 2.476 -2.618 2.335 637 HB2 PRO 85 HB2 PRO 85 2.827 -5.232 0.996 638 HB3 PRO 85 HB1 PRO 85 2.960 -3.611 0.322 639 HG2 PRO 85 HG2 PRO 85 5.113 -5.161 0.760 640 HG3 PRO 85 HG1 PRO 85 5.164 -3.396 0.914 641 HD2 PRO 85 HD2 PRO 85 5.102 -5.475 3.033 642 HD3 PRO 85 HD1 PRO 85 5.884 -3.889 3.032 643 H HIS 86 HN HIS 86 2.627 -5.485 4.108 644 HA HIS 86 HA HIS 86 -0.090 -6.359 3.731 645 HB2 HIS 86 HB2 HIS 86 1.228 -8.084 4.503 646 HB3 HIS 86 HB1 HIS 86 2.210 -7.039 5.495 647 HD1 HIS 86 HD1 HIS 86 -0.514 -9.454 5.678 648 HD2 HIS 86 HD2 HIS 86 0.900 -6.306 8.005 649 HE1 HIS 86 HE1 HIS 86 -1.505 -9.809 7.961 650 HE2 HIS 86 HE2 HIS 86 -0.791 -7.790 9.291 651 H ALA 87 HN ALA 87 1.721 -4.522 6.128 652 HA ALA 87 HA ALA 87 -0.509 -4.026 7.850 653 HB1 ALA 87 HB1 ALA 87 1.835 -4.096 8.652 654 HB2 ALA 87 HB2 ALA 87 1.015 -2.594 9.079 655 HB3 ALA 87 HB3 ALA 87 2.158 -2.622 7.734 656 H VAL 88 HN VAL 88 0.797 -2.652 5.074 657 HA VAL 88 HA VAL 88 -0.363 -0.025 5.488 658 HB VAL 88 HB VAL 88 1.149 -1.264 3.210 659 HG11 VAL 88 HG11 VAL 88 -0.399 0.290 2.272 660 HG12 VAL 88 HG12 VAL 88 1.217 0.999 2.230 661 HG13 VAL 88 HG13 VAL 88 0.055 1.517 3.452 662 HG21 VAL 88 HG21 VAL 88 1.909 0.865 5.197 663 HG22 VAL 88 HG22 VAL 88 2.902 0.341 3.837 664 HG23 VAL 88 HG23 VAL 88 2.522 -0.792 5.137 665 H ALA 89 HN ALA 89 -0.808 -2.817 3.371 666 HA ALA 89 HA ALA 89 -2.938 -1.770 1.902 667 HB1 ALA 89 HB1 ALA 89 -1.790 -3.780 1.216 668 HB2 ALA 89 HB2 ALA 89 -3.518 -4.087 1.377 669 HB3 ALA 89 HB3 ALA 89 -2.398 -4.642 2.629 670 H GLU 90 HN GLU 90 -2.924 -3.536 5.033 671 HA GLU 90 HA GLU 90 -5.788 -3.554 5.169 672 HB2 GLU 90 HB2 GLU 90 -5.408 -4.102 7.581 673 HB3 GLU 90 HB1 GLU 90 -4.601 -5.186 6.455 674 HG2 GLU 90 HG2 GLU 90 -2.509 -4.115 6.825 675 HG3 GLU 90 HG1 GLU 90 -3.264 -2.867 7.811 676 H HIS 91 HN HIS 91 -3.250 -1.380 6.062 677 HA HIS 91 HA HIS 91 -4.747 0.439 7.565 678 HB2 HIS 91 HB2 HIS 91 -2.403 0.655 7.692 679 HB3 HIS 91 HB1 HIS 91 -2.226 0.693 5.935 680 HD1 HIS 91 HD1 HIS 91 -3.610 2.859 8.755 681 HD2 HIS 91 HD2 HIS 91 -2.158 3.152 4.871 682 HE1 HIS 91 HE1 HIS 91 -3.480 5.325 8.270 683 HE2 HIS 91 HE2 HIS 91 -2.657 5.495 5.900 684 H LEU 92 HN LEU 92 -4.531 -0.196 4.176 685 HA LEU 92 HA LEU 92 -5.707 2.265 3.357 686 HB2 LEU 92 HB2 LEU 92 -4.897 -0.268 2.039 687 HB3 LEU 92 HB1 LEU 92 -6.135 0.692 1.239 688 HG LEU 92 HG LEU 92 -4.692 2.486 0.868 689 HD11 LEU 92 HD11 LEU 92 -2.365 2.494 1.946 690 HD12 LEU 92 HD12 LEU 92 -3.045 1.347 3.098 691 HD13 LEU 92 HD13 LEU 92 -3.741 2.964 2.942 692 HD21 LEU 92 HD21 LEU 92 -2.963 0.033 0.716 693 HD22 LEU 92 HD22 LEU 92 -2.685 1.550 -0.140 694 HD23 LEU 92 HD23 LEU 92 -4.107 0.576 -0.511 695 H LEU 93 HN LEU 93 -6.884 -0.590 4.718 696 HA LEU 93 HA LEU 93 -9.567 -0.458 3.697 697 HB2 LEU 93 HB2 LEU 93 -8.375 -1.857 6.064 698 HB3 LEU 93 HB1 LEU 93 -10.093 -1.887 5.730 699 HG LEU 93 HG LEU 93 -9.834 -3.265 3.869 700 HD11 LEU 93 HD11 LEU 93 -8.119 -2.058 2.685 701 HD12 LEU 93 HD12 LEU 93 -7.641 -3.751 2.831 702 HD13 LEU 93 HD13 LEU 93 -6.910 -2.530 3.881 703 HD21 LEU 93 HD21 LEU 93 -9.353 -4.369 6.010 704 HD22 LEU 93 HD22 LEU 93 -7.632 -4.064 5.757 705 HD23 LEU 93 HD23 LEU 93 -8.515 -5.124 4.655 706 H GLU 94 HN GLU 94 -7.754 0.785 6.329 707 HA GLU 94 HA GLU 94 -9.773 1.758 8.008 708 HB2 GLU 94 HB2 GLU 94 -6.932 2.480 7.425 709 HB3 GLU 94 HB1 GLU 94 -7.874 3.474 8.540 710 HG2 GLU 94 HG2 GLU 94 -7.345 0.523 8.816 711 HG3 GLU 94 HG1 GLU 94 -6.535 1.806 9.716 712 H GLN 95 HN GLN 95 -8.472 2.876 5.018 713 HA GLN 95 HA GLN 95 -9.508 5.546 5.198 714 HB2 GLN 95 HB2 GLN 95 -8.575 4.147 2.713 715 HB3 GLN 95 HB1 GLN 95 -8.406 5.844 3.152 716 HG2 GLN 95 HG2 GLN 95 -6.987 3.601 4.554 717 HG3 GLN 95 HG1 GLN 95 -6.298 4.521 3.227 718 HE21 GLN 95 HE21 GLN 95 -5.570 4.200 6.057 719 HE22 GLN 95 HE22 GLN 95 -5.446 5.808 6.678 720 H ILE 96 HN ILE 96 -10.595 2.469 4.212 721 HA ILE 96 HA ILE 96 -12.226 3.211 2.025 722 HB ILE 96 HB ILE 96 -12.135 0.718 3.698 723 HG12 ILE 96 HG12 ILE 96 -10.022 1.451 2.674 724 HG13 ILE 96 HG11 ILE 96 -10.581 -0.085 2.055 725 HG21 ILE 96 HG21 ILE 96 -14.190 0.946 2.294 726 HG22 ILE 96 HG22 ILE 96 -13.186 -0.462 1.952 727 HG23 ILE 96 HG23 ILE 96 -13.128 0.940 0.885 728 HD11 ILE 96 HD11 ILE 96 -11.269 0.910 0.007 729 HD12 ILE 96 HD12 ILE 96 -9.641 1.501 0.360 730 HD13 ILE 96 HD13 ILE 96 -11.042 2.534 0.658 731 HA PRO 97 HA PRO 97 -15.810 4.662 4.028 732 HB2 PRO 97 HB2 PRO 97 -17.507 4.602 1.976 733 HB3 PRO 97 HB1 PRO 97 -16.070 5.636 1.947 734 HG2 PRO 97 HG2 PRO 97 -16.434 2.909 0.756 735 HG3 PRO 97 HG1 PRO 97 -15.813 4.371 -0.018 736 HD2 PRO 97 HD2 PRO 97 -14.187 2.483 0.980 737 HD3 PRO 97 HD1 PRO 97 -13.773 4.195 1.022 738 H GLY 98 HN GLY 98 -16.025 2.710 5.477 739 HA2 GLY 98 HA2 GLY 98 -17.726 1.563 6.566 740 HA3 GLY 98 HA1 GLY 98 -18.746 1.802 5.159 741 H ILE 99 HN ILE 99 -17.590 0.550 3.166 742 HA ILE 99 HA ILE 99 -18.067 -2.167 3.515 743 HB ILE 99 HB ILE 99 -16.412 -2.274 1.415 744 HG12 ILE 99 HG12 ILE 99 -17.409 0.500 1.043 745 HG13 ILE 99 HG11 ILE 99 -16.006 0.285 2.081 746 HG21 ILE 99 HG21 ILE 99 -18.333 -1.797 -0.011 747 HG22 ILE 99 HG22 ILE 99 -19.168 -1.060 1.356 748 HG23 ILE 99 HG23 ILE 99 -18.790 -2.783 1.378 749 HD11 ILE 99 HD11 ILE 99 -16.261 -0.525 -0.799 750 HD12 ILE 99 HD12 ILE 99 -14.878 -0.890 0.242 751 HD13 ILE 99 HD13 ILE 99 -15.284 0.789 -0.127 752 H GLY 100 HN GLY 100 -15.129 -0.346 4.003 753 HA2 GLY 100 HA2 GLY 100 -13.609 -2.821 4.392 754 HA3 GLY 100 HA1 GLY 100 -12.925 -1.226 4.095 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 -5.858 14.068 -1.807 2 H2 GLY 1 HT2 GLY 1 -6.305 15.574 -2.430 3 H3 GLY 1 HT3 GLY 1 -4.841 14.869 -2.892 4 HA2 GLY 1 HA1 GLY 1 -6.485 14.651 -4.644 5 HA3 GLY 1 HA2 GLY 1 -5.985 13.088 -4.015 6 H SER 2 HN SER 2 -8.522 14.150 -5.310 7 HA SER 2 HA SER 2 -10.372 13.174 -3.242 8 HB2 SER 2 HB2 SER 2 -10.934 15.230 -5.396 9 HB3 SER 2 HB1 SER 2 -12.100 14.631 -4.217 10 HG SER 2 HG SER 2 -11.069 15.685 -2.623 11 H THR 3 HN THR 3 -10.611 11.097 -3.827 12 HA THR 3 HA THR 3 -11.866 10.528 -6.373 13 HB THR 3 HB THR 3 -9.214 9.273 -5.632 14 HG1 THR 3 HG1 THR 3 -9.932 11.375 -7.228 15 HG21 THR 3 HG21 THR 3 -11.069 8.686 -7.939 16 HG22 THR 3 HG22 THR 3 -10.671 7.601 -6.601 17 HG23 THR 3 HG23 THR 3 -9.429 8.058 -7.771 18 H ALA 4 HN ALA 4 -10.075 8.256 -4.381 19 HA ALA 4 HA ALA 4 -10.629 6.488 -3.122 20 HB1 ALA 4 HB1 ALA 4 -13.222 7.929 -2.587 21 HB2 ALA 4 HB2 ALA 4 -11.720 8.168 -1.695 22 HB3 ALA 4 HB3 ALA 4 -12.539 6.606 -1.642 23 H THR 5 HN THR 5 -13.659 7.386 -4.808 24 HA THR 5 HA THR 5 -14.842 4.940 -5.072 25 HB THR 5 HB THR 5 -14.790 6.932 -7.330 26 HG1 THR 5 HG1 THR 5 -16.600 7.871 -6.086 27 HG21 THR 5 HG21 THR 5 -16.950 5.098 -6.278 28 HG22 THR 5 HG22 THR 5 -16.016 4.850 -7.753 29 HG23 THR 5 HG23 THR 5 -17.118 6.221 -7.628 30 H LEU 6 HN LEU 6 -12.044 6.020 -6.778 31 HA LEU 6 HA LEU 6 -11.867 4.199 -8.854 32 HB2 LEU 6 HB2 LEU 6 -10.271 5.934 -8.713 33 HB3 LEU 6 HB1 LEU 6 -9.846 5.508 -7.068 34 HG LEU 6 HG LEU 6 -8.724 3.475 -7.882 35 HD11 LEU 6 HD11 LEU 6 -9.377 4.560 -10.621 36 HD12 LEU 6 HD12 LEU 6 -10.040 3.094 -9.897 37 HD13 LEU 6 HD13 LEU 6 -8.320 3.191 -10.276 38 HD21 LEU 6 HD21 LEU 6 -6.817 4.603 -8.877 39 HD22 LEU 6 HD22 LEU 6 -7.497 5.572 -7.568 40 HD23 LEU 6 HD23 LEU 6 -7.818 6.007 -9.248 41 H LEU 7 HN LEU 7 -10.281 3.871 -5.691 42 HA LEU 7 HA LEU 7 -9.934 1.039 -6.111 43 HB2 LEU 7 HB2 LEU 7 -8.628 3.024 -4.641 44 HB3 LEU 7 HB1 LEU 7 -9.342 1.960 -3.443 45 HG LEU 7 HG LEU 7 -7.008 1.345 -4.053 46 HD11 LEU 7 HD11 LEU 7 -7.474 -1.021 -4.145 47 HD12 LEU 7 HD12 LEU 7 -9.107 -0.704 -4.745 48 HD13 LEU 7 HD13 LEU 7 -8.660 -0.224 -3.108 49 HD21 LEU 7 HD21 LEU 7 -6.510 0.389 -6.168 50 HD22 LEU 7 HD22 LEU 7 -7.318 1.926 -6.498 51 HD23 LEU 7 HD23 LEU 7 -8.204 0.409 -6.653 52 H THR 8 HN THR 8 -11.942 3.164 -4.260 53 HA THR 8 HA THR 8 -12.943 1.410 -2.339 54 HB THR 8 HB THR 8 -14.127 3.817 -3.673 55 HG1 THR 8 HG1 THR 8 -12.304 4.059 -2.255 56 HG21 THR 8 HG21 THR 8 -15.823 3.886 -1.902 57 HG22 THR 8 HG22 THR 8 -15.246 2.336 -1.293 58 HG23 THR 8 HG23 THR 8 -15.992 2.432 -2.886 59 H SER 9 HN SER 9 -13.853 1.875 -5.697 60 HA SER 9 HA SER 9 -16.172 0.251 -5.662 61 HB2 SER 9 HB2 SER 9 -14.308 1.177 -7.839 62 HB3 SER 9 HB1 SER 9 -15.691 0.130 -8.184 63 HG SER 9 HG SER 9 -15.587 2.806 -7.441 64 H LYS 10 HN LYS 10 -12.787 -0.434 -5.711 65 HA LYS 10 HA LYS 10 -12.979 -3.177 -6.514 66 HB2 LYS 10 HB2 LYS 10 -10.865 -1.618 -6.379 67 HB3 LYS 10 HB1 LYS 10 -10.835 -2.100 -4.688 68 HG2 LYS 10 HG2 LYS 10 -9.901 -3.517 -7.032 69 HG3 LYS 10 HG1 LYS 10 -9.563 -3.804 -5.332 70 HD2 LYS 10 HD2 LYS 10 -10.652 -5.724 -5.670 71 HD3 LYS 10 HD1 LYS 10 -12.104 -4.741 -5.541 72 HE2 LYS 10 HE2 LYS 10 -10.766 -5.851 -7.975 73 HE3 LYS 10 HE1 LYS 10 -12.443 -5.978 -7.452 74 HZ1 LYS 10 HZ1 LYS 10 -12.106 -4.493 -9.375 75 HZ2 LYS 10 HZ2 LYS 10 -11.186 -3.462 -8.403 76 HZ3 LYS 10 HZ3 LYS 10 -12.821 -3.715 -8.059 77 H LEU 11 HN LEU 11 -12.460 -1.602 -3.378 78 HA LEU 11 HA LEU 11 -12.511 -3.938 -1.851 79 HB2 LEU 11 HB2 LEU 11 -13.278 -1.160 -0.980 80 HB3 LEU 11 HB1 LEU 11 -12.947 -2.496 0.096 81 HG LEU 11 HG LEU 11 -10.933 -1.430 0.182 82 HD11 LEU 11 HD11 LEU 11 -9.330 -2.614 -1.157 83 HD12 LEU 11 HD12 LEU 11 -10.579 -3.046 -2.330 84 HD13 LEU 11 HD13 LEU 11 -10.630 -3.721 -0.697 85 HD21 LEU 11 HD21 LEU 11 -11.005 -0.761 -2.748 86 HD22 LEU 11 HD22 LEU 11 -9.971 -0.075 -1.488 87 HD23 LEU 11 HD23 LEU 11 -11.696 0.292 -1.509 88 H ALA 12 HN ALA 12 -15.078 -1.951 -3.037 89 HA ALA 12 HA ALA 12 -17.274 -2.739 -1.605 90 HB1 ALA 12 HB1 ALA 12 -17.043 -2.424 -4.600 91 HB2 ALA 12 HB2 ALA 12 -17.328 -1.124 -3.438 92 HB3 ALA 12 HB3 ALA 12 -18.547 -2.376 -3.676 93 H GLY 13 HN GLY 13 -15.511 -4.528 -4.051 94 HA2 GLY 13 HA2 GLY 13 -17.464 -6.657 -4.183 95 HA3 GLY 13 HA1 GLY 13 -15.947 -6.552 -5.064 96 H LEU 14 HN LEU 14 -14.894 -5.934 -2.114 97 HA LEU 14 HA LEU 14 -14.287 -8.760 -1.635 98 HB2 LEU 14 HB2 LEU 14 -12.820 -6.267 -0.907 99 HB3 LEU 14 HB1 LEU 14 -12.369 -7.826 -0.320 100 HG LEU 14 HG LEU 14 -10.942 -7.759 -2.026 101 HD11 LEU 14 HD11 LEU 14 -11.775 -8.811 -4.046 102 HD12 LEU 14 HD12 LEU 14 -13.432 -8.445 -3.561 103 HD13 LEU 14 HD13 LEU 14 -12.458 -9.564 -2.600 104 HD21 LEU 14 HD21 LEU 14 -11.257 -6.368 -4.011 105 HD22 LEU 14 HD22 LEU 14 -11.404 -5.467 -2.502 106 HD23 LEU 14 HD23 LEU 14 -12.850 -5.908 -3.411 107 H THR 15 HN THR 15 -13.697 -9.253 0.581 108 HA THR 15 HA THR 15 -15.300 -7.876 2.607 109 HB THR 15 HB THR 15 -14.921 -9.823 3.990 110 HG1 THR 15 HG1 THR 15 -13.577 -11.576 2.953 111 HG21 THR 15 HG21 THR 15 -15.407 -10.709 1.144 112 HG22 THR 15 HG22 THR 15 -16.635 -10.086 2.249 113 HG23 THR 15 HG23 THR 15 -15.836 -11.623 2.594 114 H ALA 16 HN ALA 16 -13.973 -7.597 4.765 115 HA ALA 16 HA ALA 16 -11.911 -5.819 4.326 116 HB1 ALA 16 HB1 ALA 16 -11.337 -6.064 6.680 117 HB2 ALA 16 HB2 ALA 16 -12.246 -7.571 6.761 118 HB3 ALA 16 HB3 ALA 16 -13.086 -6.051 6.466 119 H THR 17 HN THR 17 -11.748 -9.295 4.534 120 HA THR 17 HA THR 17 -8.906 -9.416 4.754 121 HB THR 17 HB THR 17 -10.921 -11.561 4.055 122 HG1 THR 17 HG1 THR 17 -11.347 -11.202 6.119 123 HG21 THR 17 HG21 THR 17 -8.691 -12.129 3.285 124 HG22 THR 17 HG22 THR 17 -9.152 -13.135 4.659 125 HG23 THR 17 HG23 THR 17 -8.037 -11.787 4.886 126 H GLU 18 HN GLU 18 -11.200 -9.723 2.015 127 HA GLU 18 HA GLU 18 -9.048 -10.211 0.212 128 HB2 GLU 18 HB2 GLU 18 -11.937 -9.522 -0.211 129 HB3 GLU 18 HB1 GLU 18 -10.812 -9.932 -1.485 130 HG2 GLU 18 HG2 GLU 18 -10.473 -12.122 -0.392 131 HG3 GLU 18 HG1 GLU 18 -11.728 -11.689 0.760 132 H GLN 19 HN GLN 19 -10.777 -7.457 1.431 133 HA GLN 19 HA GLN 19 -9.931 -5.536 -0.438 134 HB2 GLN 19 HB2 GLN 19 -10.594 -5.290 2.494 135 HB3 GLN 19 HB1 GLN 19 -10.414 -3.929 1.398 136 HG2 GLN 19 HG2 GLN 19 -12.275 -4.658 0.112 137 HG3 GLN 19 HG1 GLN 19 -12.402 -6.132 1.038 138 HE21 GLN 19 HE21 GLN 19 -14.416 -4.186 0.578 139 HE22 GLN 19 HE22 GLN 19 -14.889 -3.588 2.129 140 H ARG 20 HN ARG 20 -8.590 -6.628 2.638 141 HA ARG 20 HA ARG 20 -6.268 -5.056 2.549 142 HB2 ARG 20 HB2 ARG 20 -5.443 -6.420 4.280 143 HB3 ARG 20 HB1 ARG 20 -7.181 -6.314 4.499 144 HG2 ARG 20 HG2 ARG 20 -7.436 -8.413 3.332 145 HG3 ARG 20 HG1 ARG 20 -5.678 -8.549 3.293 146 HD2 ARG 20 HD2 ARG 20 -7.446 -8.493 5.720 147 HD3 ARG 20 HD1 ARG 20 -6.483 -9.847 5.150 148 HE ARG 20 HE ARG 20 -4.893 -7.546 5.767 149 HH11 ARG 20 HH11 ARG 20 -6.463 -10.370 7.108 150 HH12 ARG 20 HH12 ARG 20 -5.492 -10.388 8.544 151 HH21 ARG 20 HH21 ARG 20 -3.620 -7.551 7.709 152 HH22 ARG 20 HH22 ARG 20 -3.902 -8.803 8.884 153 H ALA 21 HN ALA 21 -7.142 -8.063 1.132 154 HA ALA 21 HA ALA 21 -4.563 -8.879 0.298 155 HB1 ALA 21 HB1 ALA 21 -7.196 -9.684 -0.900 156 HB2 ALA 21 HB2 ALA 21 -6.499 -10.395 0.554 157 HB3 ALA 21 HB3 ALA 21 -5.670 -10.562 -0.993 158 H VAL 22 HN VAL 22 -7.117 -7.083 -1.366 159 HA VAL 22 HA VAL 22 -5.895 -7.272 -3.909 160 HB VAL 22 HB VAL 22 -7.394 -5.342 -4.562 161 HG11 VAL 22 HG11 VAL 22 -8.837 -7.616 -3.210 162 HG12 VAL 22 HG12 VAL 22 -7.992 -7.767 -4.752 163 HG13 VAL 22 HG13 VAL 22 -9.371 -6.673 -4.610 164 HG21 VAL 22 HG21 VAL 22 -9.184 -4.748 -2.976 165 HG22 VAL 22 HG22 VAL 22 -7.592 -4.242 -2.416 166 HG23 VAL 22 HG23 VAL 22 -8.357 -5.672 -1.720 167 H THR 23 HN THR 23 -5.681 -4.718 -1.411 168 HA THR 23 HA THR 23 -3.710 -3.483 -3.150 169 HB THR 23 HB THR 23 -5.085 -1.879 -2.272 170 HG1 THR 23 HG1 THR 23 -2.583 -1.885 -0.978 171 HG21 THR 23 HG21 THR 23 -4.402 -2.749 0.506 172 HG22 THR 23 HG22 THR 23 -5.915 -3.141 -0.308 173 HG23 THR 23 HG23 THR 23 -5.514 -1.460 0.056 174 H ARG 24 HN ARG 24 -3.669 -5.742 -0.606 175 HA ARG 24 HA ARG 24 -0.959 -5.314 0.152 176 HB2 ARG 24 HB2 ARG 24 -2.319 -6.985 1.311 177 HB3 ARG 24 HB1 ARG 24 -2.527 -7.886 -0.179 178 HG2 ARG 24 HG2 ARG 24 0.123 -7.921 -0.076 179 HG3 ARG 24 HG1 ARG 24 -0.205 -7.746 1.650 180 HD2 ARG 24 HD2 ARG 24 -1.645 -9.711 1.579 181 HD3 ARG 24 HD1 ARG 24 -1.352 -9.865 -0.151 182 HE ARG 24 HE ARG 24 1.130 -9.931 1.021 183 HH11 ARG 24 HH11 ARG 24 -1.808 -11.799 1.296 184 HH12 ARG 24 HH12 ARG 24 -0.986 -13.283 1.652 185 HH21 ARG 24 HH21 ARG 24 2.231 -11.882 1.472 186 HH22 ARG 24 HH22 ARG 24 1.314 -13.333 1.748 187 H LYS 25 HN LYS 25 -2.551 -6.066 -2.659 188 HA LYS 25 HA LYS 25 -0.247 -7.068 -4.080 189 HB2 LYS 25 HB2 LYS 25 -2.085 -8.305 -4.693 190 HB3 LYS 25 HB1 LYS 25 -3.202 -6.990 -4.407 191 HG2 LYS 25 HG2 LYS 25 -3.222 -7.507 -6.719 192 HG3 LYS 25 HG1 LYS 25 -2.438 -5.946 -6.494 193 HD2 LYS 25 HD2 LYS 25 -0.243 -7.048 -6.679 194 HD3 LYS 25 HD1 LYS 25 -1.056 -8.593 -6.937 195 HE2 LYS 25 HE2 LYS 25 -0.433 -7.777 -9.076 196 HE3 LYS 25 HE1 LYS 25 -2.175 -7.556 -8.929 197 HZ1 LYS 25 HZ1 LYS 25 -1.784 -5.232 -8.361 198 HZ2 LYS 25 HZ2 LYS 25 -1.133 -5.605 -9.875 199 HZ3 LYS 25 HZ3 LYS 25 -0.117 -5.455 -8.533 200 H LEU 26 HN LEU 26 -2.439 -4.254 -3.815 201 HA LEU 26 HA LEU 26 -1.264 -2.828 -5.974 202 HB2 LEU 26 HB2 LEU 26 -3.534 -2.414 -5.376 203 HB3 LEU 26 HB1 LEU 26 -3.082 -1.999 -3.741 204 HG LEU 26 HG LEU 26 -3.747 -0.119 -5.331 205 HD11 LEU 26 HD11 LEU 26 -1.148 0.199 -3.898 206 HD12 LEU 26 HD12 LEU 26 -2.698 0.024 -3.077 207 HD13 LEU 26 HD13 LEU 26 -2.414 1.406 -4.144 208 HD21 LEU 26 HD21 LEU 26 -2.376 -0.792 -7.224 209 HD22 LEU 26 HD22 LEU 26 -0.926 -0.517 -6.259 210 HD23 LEU 26 HD23 LEU 26 -1.982 0.838 -6.672 211 H VAL 27 HN VAL 27 -0.953 -2.352 -2.406 212 HA VAL 27 HA VAL 27 0.864 -0.240 -2.578 213 HB VAL 27 HB VAL 27 -0.079 -0.727 -0.411 214 HG11 VAL 27 HG11 VAL 27 1.328 -3.368 -0.669 215 HG12 VAL 27 HG12 VAL 27 -0.396 -3.069 -0.461 216 HG13 VAL 27 HG13 VAL 27 0.722 -2.740 0.865 217 HG21 VAL 27 HG21 VAL 27 1.929 -0.735 0.992 218 HG22 VAL 27 HG22 VAL 27 2.139 0.314 -0.412 219 HG23 VAL 27 HG23 VAL 27 2.891 -1.286 -0.382 220 H LEU 28 HN LEU 28 1.253 -3.636 -2.698 221 HA LEU 28 HA LEU 28 4.021 -3.920 -2.726 222 HB2 LEU 28 HB2 LEU 28 1.906 -5.564 -2.751 223 HB3 LEU 28 HB1 LEU 28 2.316 -5.625 -4.449 224 HG LEU 28 HG LEU 28 4.438 -6.597 -3.990 225 HD11 LEU 28 HD11 LEU 28 5.150 -5.338 -2.119 226 HD12 LEU 28 HD12 LEU 28 5.105 -7.028 -1.617 227 HD13 LEU 28 HD13 LEU 28 3.811 -5.924 -1.135 228 HD21 LEU 28 HD21 LEU 28 2.683 -8.200 -3.973 229 HD22 LEU 28 HD22 LEU 28 2.194 -7.744 -2.339 230 HD23 LEU 28 HD23 LEU 28 3.728 -8.587 -2.603 231 H ASP 29 HN ASP 29 1.694 -3.480 -5.304 232 HA ASP 29 HA ASP 29 3.514 -3.698 -7.463 233 HB2 ASP 29 HB2 ASP 29 0.981 -3.957 -7.532 234 HB3 ASP 29 HB1 ASP 29 0.897 -2.205 -7.482 235 H GLN 30 HN GLN 30 2.105 -0.991 -5.703 236 HA GLN 30 HA GLN 30 3.280 1.094 -7.131 237 HB2 GLN 30 HB2 GLN 30 2.644 0.950 -4.206 238 HB3 GLN 30 HB1 GLN 30 2.834 2.415 -5.155 239 HG2 GLN 30 HG2 GLN 30 0.652 0.360 -5.415 240 HG3 GLN 30 HG1 GLN 30 0.519 2.012 -4.827 241 HE21 GLN 30 HE21 GLN 30 0.895 -0.018 -7.599 242 HE22 GLN 30 HE22 GLN 30 0.535 1.184 -8.793 243 H ALA 31 HN ALA 31 4.343 -0.618 -4.252 244 HA ALA 31 HA ALA 31 6.729 0.809 -3.782 245 HB1 ALA 31 HB1 ALA 31 7.342 -1.074 -2.391 246 HB2 ALA 31 HB2 ALA 31 6.129 -2.088 -3.185 247 HB3 ALA 31 HB3 ALA 31 5.621 -0.727 -2.179 248 H ALA 32 HN ALA 32 5.838 -1.747 -5.873 249 HA ALA 32 HA ALA 32 8.424 -2.588 -6.652 250 HB1 ALA 32 HB1 ALA 32 5.606 -2.932 -7.602 251 HB2 ALA 32 HB2 ALA 32 6.810 -4.152 -7.134 252 HB3 ALA 32 HB3 ALA 32 6.924 -3.355 -8.703 253 H SER 33 HN SER 33 6.028 -0.347 -7.946 254 HA SER 33 HA SER 33 7.400 0.403 -10.272 255 HB2 SER 33 HB2 SER 33 5.060 0.906 -9.973 256 HB3 SER 33 HB1 SER 33 5.401 1.855 -8.527 257 HG SER 33 HG SER 33 6.258 2.467 -11.174 258 H VAL 34 HN VAL 34 7.521 1.560 -6.964 259 HA VAL 34 HA VAL 34 9.166 3.804 -7.314 260 HB VAL 34 HB VAL 34 9.190 1.966 -4.930 261 HG11 VAL 34 HG11 VAL 34 9.561 4.107 -3.704 262 HG12 VAL 34 HG12 VAL 34 9.704 4.915 -5.264 263 HG13 VAL 34 HG13 VAL 34 10.864 3.669 -4.808 264 HG21 VAL 34 HG21 VAL 34 6.913 2.412 -5.507 265 HG22 VAL 34 HG22 VAL 34 7.231 4.148 -5.548 266 HG23 VAL 34 HG23 VAL 34 7.358 3.258 -4.032 267 H LEU 35 HN LEU 35 9.858 0.578 -6.133 268 HA LEU 35 HA LEU 35 12.579 0.957 -5.789 269 HB2 LEU 35 HB2 LEU 35 10.601 -1.132 -5.620 270 HB3 LEU 35 HB1 LEU 35 12.199 -1.746 -6.012 271 HG LEU 35 HG LEU 35 13.006 -1.295 -3.920 272 HD11 LEU 35 HD11 LEU 35 11.045 0.997 -3.738 273 HD12 LEU 35 HD12 LEU 35 12.794 1.114 -3.952 274 HD13 LEU 35 HD13 LEU 35 12.133 0.501 -2.438 275 HD21 LEU 35 HD21 LEU 35 11.267 -2.782 -3.493 276 HD22 LEU 35 HD22 LEU 35 10.038 -1.537 -3.719 277 HD23 LEU 35 HD23 LEU 35 11.069 -1.516 -2.278 278 H GLY 36 HN GLY 36 10.806 -0.164 -8.605 279 HA2 GLY 36 HA2 GLY 36 12.160 0.286 -10.696 280 HA3 GLY 36 HA1 GLY 36 13.398 -0.664 -9.892 281 H TYR 37 HN TYR 37 10.189 -1.640 -9.421 282 HA TYR 37 HA TYR 37 10.847 -4.125 -10.828 283 HB2 TYR 37 HB2 TYR 37 8.734 -3.643 -8.738 284 HB3 TYR 37 HB1 TYR 37 9.334 -5.193 -9.297 285 HD1 TYR 37 HD1 TYR 37 9.197 -4.352 -6.410 286 HD2 TYR 37 HD2 TYR 37 12.269 -4.009 -9.312 287 HE1 TYR 37 HE1 TYR 37 10.860 -4.350 -4.618 288 HE2 TYR 37 HE2 TYR 37 13.950 -3.980 -7.543 289 HH TYR 37 HH TYR 37 14.131 -3.488 -5.157 290 H ALA 38 HN ALA 38 8.975 -5.346 -11.719 291 HA ALA 38 HA ALA 38 6.910 -3.569 -12.832 292 HB1 ALA 38 HB1 ALA 38 8.728 -3.855 -14.480 293 HB2 ALA 38 HB2 ALA 38 7.191 -4.521 -15.034 294 HB3 ALA 38 HB3 ALA 38 8.456 -5.598 -14.437 295 H SER 39 HN SER 39 7.589 -6.308 -11.132 296 HA SER 39 HA SER 39 4.884 -7.295 -11.480 297 HB2 SER 39 HB2 SER 39 7.316 -9.013 -12.031 298 HB3 SER 39 HB1 SER 39 5.680 -9.643 -11.829 299 HG SER 39 HG SER 39 5.694 -7.634 -13.630 300 H THR 40 HN THR 40 6.442 -5.993 -9.393 301 HA THR 40 HA THR 40 7.227 -6.171 -7.255 302 HB THR 40 HB THR 40 5.745 -7.441 -5.710 303 HG1 THR 40 HG1 THR 40 4.991 -8.630 -8.075 304 HG21 THR 40 HG21 THR 40 3.667 -6.166 -6.267 305 HG22 THR 40 HG22 THR 40 4.429 -5.703 -7.792 306 HG23 THR 40 HG23 THR 40 5.136 -5.187 -6.258 307 H GLU 41 HN GLU 41 8.673 -7.699 -9.019 308 HA GLU 41 HA GLU 41 8.842 -10.426 -8.539 309 HB2 GLU 41 HB2 GLU 41 11.132 -10.221 -9.592 310 HB3 GLU 41 HB1 GLU 41 9.787 -9.583 -10.527 311 HG2 GLU 41 HG2 GLU 41 11.227 -7.680 -8.779 312 HG3 GLU 41 HG1 GLU 41 12.077 -8.272 -10.204 313 H SER 42 HN SER 42 10.595 -7.798 -6.931 314 HA SER 42 HA SER 42 11.792 -9.842 -5.193 315 HB2 SER 42 HB2 SER 42 13.036 -7.197 -5.967 316 HB3 SER 42 HB1 SER 42 13.787 -8.473 -5.009 317 HG SER 42 HG SER 42 13.993 -8.216 -7.553 318 H LEU 43 HN LEU 43 9.307 -8.649 -4.659 319 HA LEU 43 HA LEU 43 9.947 -6.975 -2.344 320 HB2 LEU 43 HB2 LEU 43 7.414 -7.405 -3.890 321 HB3 LEU 43 HB1 LEU 43 7.466 -6.539 -2.365 322 HG LEU 43 HG LEU 43 9.100 -5.739 -4.761 323 HD11 LEU 43 HD11 LEU 43 7.425 -4.001 -5.103 324 HD12 LEU 43 HD12 LEU 43 6.426 -4.729 -3.843 325 HD13 LEU 43 HD13 LEU 43 6.763 -5.620 -5.327 326 HD21 LEU 43 HD21 LEU 43 9.927 -4.958 -2.625 327 HD22 LEU 43 HD22 LEU 43 8.326 -4.341 -2.214 328 HD23 LEU 43 HD23 LEU 43 9.236 -3.619 -3.540 329 H ASP 44 HN ASP 44 8.450 -7.242 -0.498 330 HA ASP 44 HA ASP 44 7.460 -9.956 -0.067 331 HB2 ASP 44 HB2 ASP 44 9.894 -9.415 0.930 332 HB3 ASP 44 HB1 ASP 44 8.924 -8.651 2.180 333 H THR 45 HN THR 45 5.640 -9.964 1.252 334 HA THR 45 HA THR 45 4.650 -7.317 2.002 335 HB THR 45 HB THR 45 2.506 -8.687 2.472 336 HG1 THR 45 HG1 THR 45 3.734 -10.454 0.606 337 HG21 THR 45 HG21 THR 45 1.923 -8.630 0.042 338 HG22 THR 45 HG22 THR 45 3.600 -8.188 -0.282 339 HG23 THR 45 HG23 THR 45 2.578 -7.130 0.691 340 H HIS 46 HN HIS 46 6.256 -9.895 3.329 341 HA HIS 46 HA HIS 46 5.113 -9.440 6.000 342 HB2 HIS 46 HB2 HIS 46 6.792 -11.714 4.925 343 HB3 HIS 46 HB1 HIS 46 6.363 -11.535 6.617 344 HD1 HIS 46 HD1 HIS 46 4.486 -13.009 7.227 345 HD2 HIS 46 HD2 HIS 46 4.176 -11.652 3.313 346 HE1 HIS 46 HE1 HIS 46 2.399 -14.061 6.315 347 HE2 HIS 46 HE2 HIS 46 2.195 -13.192 3.963 348 H GLU 47 HN GLU 47 7.495 -8.309 4.089 349 HA GLU 47 HA GLU 47 9.294 -7.852 6.364 350 HB2 GLU 47 HB2 GLU 47 11.102 -8.288 5.104 351 HB3 GLU 47 HB1 GLU 47 9.982 -9.076 4.007 352 HG2 GLU 47 HG2 GLU 47 9.776 -6.889 2.798 353 HG3 GLU 47 HG1 GLU 47 11.091 -6.288 3.813 354 H SER 48 HN SER 48 10.188 -5.713 6.497 355 HA SER 48 HA SER 48 8.041 -3.857 5.910 356 HB2 SER 48 HB2 SER 48 10.528 -3.279 7.513 357 HB3 SER 48 HB1 SER 48 8.944 -2.518 7.624 358 HG SER 48 HG SER 48 8.764 -5.185 8.021 359 H PHE 49 HN PHE 49 8.298 -1.887 4.925 360 HA PHE 49 HA PHE 49 9.679 -1.813 2.538 361 HB2 PHE 49 HB2 PHE 49 8.684 0.525 4.151 362 HB3 PHE 49 HB1 PHE 49 9.149 0.592 2.457 363 HD1 PHE 49 HD1 PHE 49 7.741 -0.281 0.757 364 HD2 PHE 49 HD2 PHE 49 6.654 -0.623 4.847 365 HE1 PHE 49 HE1 PHE 49 5.477 -0.928 0.095 366 HE2 PHE 49 HE2 PHE 49 4.375 -1.273 4.190 367 HZ PHE 49 HZ PHE 49 3.742 -1.307 1.870 368 H LYS 50 HN LYS 50 10.690 -0.678 5.654 369 HA LYS 50 HA LYS 50 12.989 0.677 5.167 370 HB2 LYS 50 HB2 LYS 50 12.022 -0.123 7.379 371 HB3 LYS 50 HB1 LYS 50 12.886 -1.611 7.083 372 HG2 LYS 50 HG2 LYS 50 14.962 -0.611 7.203 373 HG3 LYS 50 HG1 LYS 50 14.265 0.981 7.057 374 HD2 LYS 50 HD2 LYS 50 15.002 0.520 9.344 375 HD3 LYS 50 HD1 LYS 50 13.266 0.812 9.233 376 HE2 LYS 50 HE2 LYS 50 12.837 -1.557 9.281 377 HE3 LYS 50 HE1 LYS 50 14.563 -1.904 9.303 378 HZ1 LYS 50 HZ1 LYS 50 13.071 -0.459 11.428 379 HZ2 LYS 50 HZ2 LYS 50 14.726 -0.803 11.442 380 HZ3 LYS 50 HZ3 LYS 50 13.602 -2.065 11.513 381 H ASP 51 HN ASP 51 12.647 -2.819 5.240 382 HA ASP 51 HA ASP 51 15.259 -3.408 4.326 383 HB2 ASP 51 HB2 ASP 51 13.791 -4.991 5.578 384 HB3 ASP 51 HB1 ASP 51 12.805 -5.149 4.132 385 H LEU 52 HN LEU 52 12.225 -2.809 2.710 386 HA LEU 52 HA LEU 52 12.897 -3.785 0.146 387 HB2 LEU 52 HB2 LEU 52 10.849 -1.866 1.182 388 HB3 LEU 52 HB1 LEU 52 11.045 -2.093 -0.527 389 HG LEU 52 HG LEU 52 10.497 -4.488 -0.273 390 HD11 LEU 52 HD11 LEU 52 11.224 -4.907 1.955 391 HD12 LEU 52 HD12 LEU 52 9.484 -5.197 1.872 392 HD13 LEU 52 HD13 LEU 52 10.097 -3.714 2.595 393 HD21 LEU 52 HD21 LEU 52 8.131 -4.205 0.333 394 HD22 LEU 52 HD22 LEU 52 8.703 -2.985 -0.813 395 HD23 LEU 52 HD23 LEU 52 8.497 -2.572 0.892 396 H GLY 53 HN GLY 53 13.768 -1.022 1.903 397 HA2 GLY 53 HA2 GLY 53 15.735 0.114 1.215 398 HA3 GLY 53 HA1 GLY 53 15.227 -0.062 -0.452 399 H PHE 54 HN PHE 54 12.638 0.826 1.581 400 HA PHE 54 HA PHE 54 12.536 3.367 0.313 401 HB2 PHE 54 HB2 PHE 54 10.773 2.077 2.394 402 HB3 PHE 54 HB1 PHE 54 10.486 3.685 1.735 403 HD1 PHE 54 HD1 PHE 54 9.715 4.000 -0.495 404 HD2 PHE 54 HD2 PHE 54 10.614 0.125 0.979 405 HE1 PHE 54 HE1 PHE 54 8.523 3.016 -2.396 406 HE2 PHE 54 HE2 PHE 54 9.443 -0.882 -0.909 407 HZ PHE 54 HZ PHE 54 8.550 0.601 -2.741 408 H ASP 55 HN ASP 55 12.160 5.371 1.428 409 HA ASP 55 HA ASP 55 13.460 5.875 3.932 410 HB2 ASP 55 HB2 ASP 55 15.154 7.434 2.775 411 HB3 ASP 55 HB1 ASP 55 15.515 5.709 2.785 412 H SER 56 HN SER 56 14.076 8.549 3.589 413 HA SER 56 HA SER 56 11.472 9.730 3.348 414 HB2 SER 56 HB2 SER 56 12.783 11.866 3.855 415 HB3 SER 56 HB1 SER 56 12.820 10.606 5.086 416 HG SER 56 HG SER 56 14.866 11.739 3.836 417 H LEU 57 HN LEU 57 12.384 8.568 0.983 418 HA LEU 57 HA LEU 57 12.202 10.788 -0.886 419 HB2 LEU 57 HB2 LEU 57 14.077 8.462 -1.163 420 HB3 LEU 57 HB1 LEU 57 13.902 9.781 -2.302 421 HG LEU 57 HG LEU 57 14.870 10.115 0.531 422 HD11 LEU 57 HD11 LEU 57 16.416 8.686 -0.659 423 HD12 LEU 57 HD12 LEU 57 17.125 10.287 -0.438 424 HD13 LEU 57 HD13 LEU 57 16.469 9.819 -2.007 425 HD21 LEU 57 HD21 LEU 57 14.982 11.930 -1.876 426 HD22 LEU 57 HD22 LEU 57 15.699 12.269 -0.300 427 HD23 LEU 57 HD23 LEU 57 13.948 12.126 -0.460 428 H THR 58 HN THR 58 12.655 7.272 -0.898 429 HA THR 58 HA THR 58 10.890 6.852 -3.091 430 HB THR 58 HB THR 58 11.125 4.394 -2.329 431 HG1 THR 58 HG1 THR 58 13.242 5.535 -0.787 432 HG21 THR 58 HG21 THR 58 13.543 6.021 -3.103 433 HG22 THR 58 HG22 THR 58 12.345 5.333 -4.200 434 HG23 THR 58 HG23 THR 58 13.393 4.270 -3.262 435 H ALA 59 HN ALA 59 10.578 6.349 0.401 436 HA ALA 59 HA ALA 59 8.067 5.168 0.441 437 HB1 ALA 59 HB1 ALA 59 9.132 7.186 2.426 438 HB2 ALA 59 HB2 ALA 59 9.538 5.471 2.425 439 HB3 ALA 59 HB3 ALA 59 7.874 5.984 2.716 440 H LEU 60 HN LEU 60 9.078 8.445 -0.006 441 HA LEU 60 HA LEU 60 6.601 9.711 0.385 442 HB2 LEU 60 HB2 LEU 60 9.099 10.505 -1.087 443 HB3 LEU 60 HB1 LEU 60 7.706 11.562 -0.973 444 HG LEU 60 HG LEU 60 9.452 12.124 0.682 445 HD11 LEU 60 HD11 LEU 60 6.940 11.045 1.919 446 HD12 LEU 60 HD12 LEU 60 7.108 12.621 1.144 447 HD13 LEU 60 HD13 LEU 60 8.014 12.255 2.613 448 HD21 LEU 60 HD21 LEU 60 8.827 9.409 1.829 449 HD22 LEU 60 HD22 LEU 60 9.793 10.655 2.618 450 HD23 LEU 60 HD23 LEU 60 10.363 9.914 1.121 451 H GLU 61 HN GLU 61 8.252 8.618 -2.583 452 HA GLU 61 HA GLU 61 6.009 9.384 -4.200 453 HB2 GLU 61 HB2 GLU 61 7.188 7.884 -5.937 454 HB3 GLU 61 HB1 GLU 61 7.962 9.389 -5.447 455 HG2 GLU 61 HG2 GLU 61 9.397 8.130 -3.918 456 HG3 GLU 61 HG1 GLU 61 8.627 6.636 -4.443 457 H LEU 62 HN LEU 62 7.000 6.464 -2.549 458 HA LEU 62 HA LEU 62 5.065 4.741 -3.723 459 HB2 LEU 62 HB2 LEU 62 6.831 3.801 -2.395 460 HB3 LEU 62 HB1 LEU 62 6.319 4.717 -0.993 461 HG LEU 62 HG LEU 62 4.218 3.465 -0.920 462 HD11 LEU 62 HD11 LEU 62 3.924 2.987 -3.241 463 HD12 LEU 62 HD12 LEU 62 3.969 1.471 -2.335 464 HD13 LEU 62 HD13 LEU 62 5.376 1.991 -3.260 465 HD21 LEU 62 HD21 LEU 62 5.121 1.422 -0.112 466 HD22 LEU 62 HD22 LEU 62 6.261 2.719 0.264 467 HD23 LEU 62 HD23 LEU 62 6.580 1.626 -1.082 468 H ARG 63 HN ARG 63 5.054 6.719 -0.805 469 HA ARG 63 HA ARG 63 2.473 6.152 0.103 470 HB2 ARG 63 HB2 ARG 63 3.896 7.350 1.551 471 HB3 ARG 63 HB1 ARG 63 4.343 8.503 0.305 472 HG2 ARG 63 HG2 ARG 63 1.698 8.997 0.482 473 HG3 ARG 63 HG1 ARG 63 2.058 8.512 2.144 474 HD2 ARG 63 HD2 ARG 63 2.310 10.941 1.791 475 HD3 ARG 63 HD1 ARG 63 3.813 10.165 2.286 476 HE ARG 63 HE ARG 63 4.473 10.242 -0.098 477 HH11 ARG 63 HH11 ARG 63 2.048 12.456 1.101 478 HH12 ARG 63 HH12 ARG 63 2.279 13.603 -0.178 479 HH21 ARG 63 HH21 ARG 63 4.785 11.755 -1.787 480 HH22 ARG 63 HH22 ARG 63 3.832 13.205 -1.821 481 H ASP 64 HN ASP 64 3.801 8.546 -2.082 482 HA ASP 64 HA ASP 64 1.524 9.873 -2.909 483 HB2 ASP 64 HB2 ASP 64 3.879 10.470 -3.437 484 HB3 ASP 64 HB1 ASP 64 3.914 9.135 -4.574 485 H HIS 65 HN HIS 65 3.006 6.903 -4.117 486 HA HIS 65 HA HIS 65 1.265 6.406 -6.248 487 HB2 HIS 65 HB2 HIS 65 2.851 4.558 -4.506 488 HB3 HIS 65 HB1 HIS 65 1.947 4.009 -5.895 489 HD1 HIS 65 HD1 HIS 65 2.923 6.677 -7.594 490 HD2 HIS 65 HD2 HIS 65 5.201 3.817 -5.664 491 HE1 HIS 65 HE1 HIS 65 5.205 6.767 -8.670 492 HE2 HIS 65 HE2 HIS 65 6.590 5.128 -7.399 493 H LEU 66 HN LEU 66 1.068 5.484 -2.808 494 HA LEU 66 HA LEU 66 -1.142 3.746 -3.139 495 HB2 LEU 66 HB2 LEU 66 0.082 5.175 -0.829 496 HB3 LEU 66 HB1 LEU 66 -1.438 4.339 -0.619 497 HG LEU 66 HG LEU 66 -0.484 2.256 -0.755 498 HD11 LEU 66 HD11 LEU 66 0.473 2.493 -2.981 499 HD12 LEU 66 HD12 LEU 66 1.618 1.729 -1.881 500 HD13 LEU 66 HD13 LEU 66 1.812 3.427 -2.315 501 HD21 LEU 66 HD21 LEU 66 1.763 4.025 0.168 502 HD22 LEU 66 HD22 LEU 66 1.659 2.286 0.450 503 HD23 LEU 66 HD23 LEU 66 0.459 3.367 1.157 504 H GLN 67 HN GLN 67 -0.892 7.164 -2.381 505 HA GLN 67 HA GLN 67 -3.674 7.548 -1.845 506 HB2 GLN 67 HB2 GLN 67 -1.829 9.696 -2.824 507 HB3 GLN 67 HB1 GLN 67 -3.182 9.841 -1.713 508 HG2 GLN 67 HG2 GLN 67 -1.998 8.951 0.048 509 HG3 GLN 67 HG1 GLN 67 -0.852 8.154 -1.031 510 HE21 GLN 67 HE21 GLN 67 -0.331 10.411 -2.669 511 HE22 GLN 67 HE22 GLN 67 0.622 11.507 -1.745 512 H THR 68 HN THR 68 -1.623 7.784 -4.672 513 HA THR 68 HA THR 68 -3.582 8.787 -6.424 514 HB THR 68 HB THR 68 -0.889 7.574 -6.551 515 HG1 THR 68 HG1 THR 68 -1.411 9.888 -6.393 516 HG21 THR 68 HG21 THR 68 -2.605 7.857 -9.017 517 HG22 THR 68 HG22 THR 68 -2.016 6.347 -8.319 518 HG23 THR 68 HG23 THR 68 -0.875 7.507 -8.996 519 H ALA 69 HN ALA 69 -2.299 5.625 -5.730 520 HA ALA 69 HA ALA 69 -3.857 4.047 -7.367 521 HB1 ALA 69 HB1 ALA 69 -1.896 3.262 -6.206 522 HB2 ALA 69 HB2 ALA 69 -3.284 2.233 -5.839 523 HB3 ALA 69 HB3 ALA 69 -2.728 3.426 -4.662 524 H THR 70 HN THR 70 -4.471 4.986 -3.986 525 HA THR 70 HA THR 70 -6.987 3.518 -4.052 526 HB THR 70 HB THR 70 -7.125 3.978 -1.662 527 HG1 THR 70 HG1 THR 70 -4.631 5.315 -1.781 528 HG21 THR 70 HG21 THR 70 -5.681 2.132 -2.468 529 HG22 THR 70 HG22 THR 70 -5.137 2.814 -0.936 530 HG23 THR 70 HG23 THR 70 -4.306 3.240 -2.433 531 H GLY 71 HN GLY 71 -5.794 6.774 -3.929 532 HA2 GLY 71 HA2 GLY 71 -6.953 8.715 -4.540 533 HA3 GLY 71 HA1 GLY 71 -8.464 7.816 -4.450 534 H LEU 72 HN LEU 72 -6.544 7.193 -1.812 535 HA LEU 72 HA LEU 72 -8.255 8.843 -0.104 536 HB2 LEU 72 HB2 LEU 72 -6.629 6.349 0.325 537 HB3 LEU 72 HB1 LEU 72 -7.207 7.290 1.681 538 HG LEU 72 HG LEU 72 -8.621 5.321 1.170 539 HD11 LEU 72 HD11 LEU 72 -10.033 7.946 0.762 540 HD12 LEU 72 HD12 LEU 72 -9.558 7.260 2.317 541 HD13 LEU 72 HD13 LEU 72 -10.756 6.435 1.321 542 HD21 LEU 72 HD21 LEU 72 -10.075 5.302 -0.759 543 HD22 LEU 72 HD22 LEU 72 -8.387 5.308 -1.263 544 HD23 LEU 72 HD23 LEU 72 -9.338 6.788 -1.355 545 H ASN 73 HN ASN 73 -6.666 8.929 2.171 546 HA ASN 73 HA ASN 73 -4.527 10.732 1.261 547 HB2 ASN 73 HB2 ASN 73 -6.550 11.937 2.056 548 HB3 ASN 73 HB1 ASN 73 -6.364 11.163 3.623 549 HD21 ASN 73 HD21 ASN 73 -5.014 13.486 1.399 550 HD22 ASN 73 HD22 ASN 73 -4.004 14.292 2.549 551 H LEU 74 HN LEU 74 -2.827 9.405 1.646 552 HA LEU 74 HA LEU 74 -2.550 8.183 4.267 553 HB2 LEU 74 HB2 LEU 74 -0.935 7.866 1.738 554 HB3 LEU 74 HB1 LEU 74 -0.596 7.031 3.251 555 HG LEU 74 HG LEU 74 -3.072 6.196 2.994 556 HD11 LEU 74 HD11 LEU 74 -3.789 5.875 0.708 557 HD12 LEU 74 HD12 LEU 74 -2.347 6.702 0.109 558 HD13 LEU 74 HD13 LEU 74 -3.566 7.598 1.014 559 HD21 LEU 74 HD21 LEU 74 -1.253 4.698 3.072 560 HD22 LEU 74 HD22 LEU 74 -0.692 5.190 1.475 561 HD23 LEU 74 HD23 LEU 74 -2.195 4.288 1.640 562 H SER 75 HN SER 75 0.472 8.270 4.195 563 HA SER 75 HA SER 75 0.781 11.099 4.853 564 HB2 SER 75 HB2 SER 75 -0.289 9.994 6.827 565 HB3 SER 75 HB1 SER 75 1.140 8.976 6.972 566 HG SER 75 HG SER 75 1.141 10.880 8.323 567 H SER 76 HN SER 76 3.044 11.519 5.806 568 HA SER 76 HA SER 76 4.832 10.902 3.765 569 HB2 SER 76 HB2 SER 76 5.531 11.870 6.538 570 HB3 SER 76 HB1 SER 76 6.481 12.092 5.068 571 HG SER 76 HG SER 76 5.014 13.872 5.840 572 H THR 77 HN THR 77 4.705 9.576 7.056 573 HA THR 77 HA THR 77 6.881 7.722 6.355 574 HB THR 77 HB THR 77 6.995 7.337 8.854 575 HG1 THR 77 HG1 THR 77 5.881 8.690 10.186 576 HG21 THR 77 HG21 THR 77 8.221 9.418 9.283 577 HG22 THR 77 HG22 THR 77 7.485 10.140 7.851 578 HG23 THR 77 HG23 THR 77 8.584 8.773 7.683 579 H LEU 78 HN LEU 78 4.275 7.493 5.459 580 HA LEU 78 HA LEU 78 2.412 5.991 6.757 581 HB2 LEU 78 HB2 LEU 78 2.261 7.058 4.542 582 HB3 LEU 78 HB1 LEU 78 3.301 5.822 3.896 583 HG LEU 78 HG LEU 78 0.685 5.783 3.600 584 HD11 LEU 78 HD11 LEU 78 2.092 4.253 2.493 585 HD12 LEU 78 HD12 LEU 78 0.850 3.318 3.338 586 HD13 LEU 78 HD13 LEU 78 2.479 3.420 4.007 587 HD21 LEU 78 HD21 LEU 78 1.180 4.624 6.299 588 HD22 LEU 78 HD22 LEU 78 -0.114 3.990 5.278 589 HD23 LEU 78 HD23 LEU 78 -0.113 5.691 5.741 590 H ILE 79 HN ILE 79 4.908 4.652 4.622 591 HA ILE 79 HA ILE 79 4.374 1.945 5.420 592 HB ILE 79 HB ILE 79 6.149 1.363 3.908 593 HG12 ILE 79 HG12 ILE 79 6.811 4.296 3.992 594 HG13 ILE 79 HG11 ILE 79 7.857 2.941 4.411 595 HG21 ILE 79 HG21 ILE 79 4.073 1.932 2.850 596 HG22 ILE 79 HG22 ILE 79 5.413 2.539 1.875 597 HG23 ILE 79 HG23 ILE 79 4.484 3.651 2.884 598 HD11 ILE 79 HD11 ILE 79 8.562 3.723 2.316 599 HD12 ILE 79 HD12 ILE 79 6.909 3.808 1.714 600 HD13 ILE 79 HD13 ILE 79 7.666 2.237 2.001 601 H PHE 80 HN PHE 80 5.805 4.223 7.158 602 HA PHE 80 HA PHE 80 7.639 2.292 8.392 603 HB2 PHE 80 HB2 PHE 80 7.782 5.313 8.396 604 HB3 PHE 80 HB1 PHE 80 8.853 4.258 9.315 605 HD1 PHE 80 HD1 PHE 80 9.051 6.295 6.726 606 HD2 PHE 80 HD2 PHE 80 9.463 2.129 7.468 607 HE1 PHE 80 HE1 PHE 80 10.490 6.085 4.743 608 HE2 PHE 80 HE2 PHE 80 10.899 1.895 5.485 609 HZ PHE 80 HZ PHE 80 11.423 3.889 4.123 610 H ASP 81 HN ASP 81 4.835 4.084 8.567 611 HA ASP 81 HA ASP 81 4.455 3.885 11.417 612 HB2 ASP 81 HB2 ASP 81 3.328 5.538 9.641 613 HB3 ASP 81 HB1 ASP 81 2.218 4.194 9.493 614 H HIS 82 HN HIS 82 3.586 2.369 8.443 615 HA HIS 82 HA HIS 82 2.654 -0.026 9.845 616 HB2 HIS 82 HB2 HIS 82 1.811 0.910 7.091 617 HB3 HIS 82 HB1 HIS 82 1.099 -0.382 8.044 618 HD1 HIS 82 HD1 HIS 82 -0.389 0.319 10.079 619 HD2 HIS 82 HD2 HIS 82 0.984 3.476 7.740 620 HE1 HIS 82 HE1 HIS 82 -1.659 2.339 10.860 621 HE2 HIS 82 HE2 HIS 82 -0.622 4.263 9.617 622 HA PRO 83 HA PRO 83 6.628 -1.000 8.427 623 HB2 PRO 83 HB2 PRO 83 6.618 -3.674 9.047 624 HB3 PRO 83 HB1 PRO 83 6.831 -2.384 10.234 625 HG2 PRO 83 HG2 PRO 83 4.336 -3.894 9.508 626 HG3 PRO 83 HG1 PRO 83 4.953 -3.450 11.117 627 HD2 PRO 83 HD2 PRO 83 3.002 -2.036 9.946 628 HD3 PRO 83 HD1 PRO 83 4.256 -1.243 10.907 629 H THR 84 HN THR 84 4.040 -3.197 7.350 630 HA THR 84 HA THR 84 5.720 -3.830 5.042 631 HB THR 84 HB THR 84 4.657 -6.032 5.002 632 HG1 THR 84 HG1 THR 84 3.559 -6.401 7.263 633 HG21 THR 84 HG21 THR 84 5.860 -5.338 7.688 634 HG22 THR 84 HG22 THR 84 6.757 -5.770 6.232 635 HG23 THR 84 HG23 THR 84 5.720 -6.964 7.016 636 HA PRO 85 HA PRO 85 2.447 -2.621 2.304 637 HB2 PRO 85 HB2 PRO 85 2.769 -5.253 0.986 638 HB3 PRO 85 HB1 PRO 85 2.908 -3.638 0.293 639 HG2 PRO 85 HG2 PRO 85 5.060 -5.183 0.728 640 HG3 PRO 85 HG1 PRO 85 5.114 -3.419 0.893 641 HD2 PRO 85 HD2 PRO 85 5.037 -5.511 3.001 642 HD3 PRO 85 HD1 PRO 85 5.838 -3.935 3.006 643 H HIS 86 HN HIS 86 2.567 -5.502 4.063 644 HA HIS 86 HA HIS 86 -0.160 -6.323 3.699 645 HB2 HIS 86 HB2 HIS 86 1.150 -8.071 4.445 646 HB3 HIS 86 HB1 HIS 86 2.128 -7.047 5.467 647 HD1 HIS 86 HD1 HIS 86 -0.626 -9.437 5.582 648 HD2 HIS 86 HD2 HIS 86 0.803 -6.337 7.963 649 HE1 HIS 86 HE1 HIS 86 -1.629 -9.818 7.854 650 HE2 HIS 86 HE2 HIS 86 -0.915 -7.821 9.212 651 H ALA 87 HN ALA 87 1.677 -4.552 6.123 652 HA ALA 87 HA ALA 87 -0.536 -4.033 7.849 653 HB1 ALA 87 HB1 ALA 87 2.120 -2.609 7.703 654 HB2 ALA 87 HB2 ALA 87 1.825 -4.094 8.613 655 HB3 ALA 87 HB3 ALA 87 0.995 -2.605 9.063 656 H VAL 88 HN VAL 88 0.785 -2.642 5.082 657 HA VAL 88 HA VAL 88 -0.364 -0.017 5.482 658 HB VAL 88 HB VAL 88 1.121 -1.289 3.205 659 HG11 VAL 88 HG11 VAL 88 0.045 1.504 3.423 660 HG12 VAL 88 HG12 VAL 88 -0.422 0.268 2.255 661 HG13 VAL 88 HG13 VAL 88 1.198 0.966 2.201 662 HG21 VAL 88 HG21 VAL 88 2.507 -0.804 5.118 663 HG22 VAL 88 HG22 VAL 88 1.899 0.854 5.172 664 HG23 VAL 88 HG23 VAL 88 2.885 0.319 3.810 665 H ALA 89 HN ALA 89 -0.858 -2.817 3.387 666 HA ALA 89 HA ALA 89 -2.989 -1.743 1.928 667 HB1 ALA 89 HB1 ALA 89 -2.391 -4.613 2.616 668 HB2 ALA 89 HB2 ALA 89 -1.906 -3.731 1.165 669 HB3 ALA 89 HB3 ALA 89 -3.606 -4.090 1.449 670 H GLU 90 HN GLU 90 -2.967 -3.518 5.049 671 HA GLU 90 HA GLU 90 -5.831 -3.473 5.206 672 HB2 GLU 90 HB2 GLU 90 -5.421 -4.092 7.611 673 HB3 GLU 90 HB1 GLU 90 -4.719 -5.183 6.422 674 HG2 GLU 90 HG2 GLU 90 -2.553 -4.148 6.727 675 HG3 GLU 90 HG1 GLU 90 -3.236 -3.034 7.907 676 H HIS 91 HN HIS 91 -3.243 -1.357 6.048 677 HA HIS 91 HA HIS 91 -4.698 0.471 7.604 678 HB2 HIS 91 HB2 HIS 91 -2.360 0.688 7.712 679 HB3 HIS 91 HB1 HIS 91 -2.189 0.682 5.956 680 HD1 HIS 91 HD1 HIS 91 -3.518 2.932 8.727 681 HD2 HIS 91 HD2 HIS 91 -2.102 3.118 4.826 682 HE1 HIS 91 HE1 HIS 91 -3.367 5.382 8.184 683 HE2 HIS 91 HE2 HIS 91 -2.339 5.478 5.890 684 H LEU 92 HN LEU 92 -4.567 -0.167 4.214 685 HA LEU 92 HA LEU 92 -5.710 2.320 3.422 686 HB2 LEU 92 HB2 LEU 92 -4.974 -0.225 2.083 687 HB3 LEU 92 HB1 LEU 92 -6.205 0.768 1.307 688 HG LEU 92 HG LEU 92 -4.732 2.534 0.923 689 HD11 LEU 92 HD11 LEU 92 -3.742 2.972 2.992 690 HD12 LEU 92 HD12 LEU 92 -2.390 2.497 1.959 691 HD13 LEU 92 HD13 LEU 92 -3.063 1.347 3.108 692 HD21 LEU 92 HD21 LEU 92 -2.759 1.560 -0.121 693 HD22 LEU 92 HD22 LEU 92 -4.210 0.624 -0.481 694 HD23 LEU 92 HD23 LEU 92 -3.062 0.043 0.726 695 H LEU 93 HN LEU 93 -6.908 -0.457 4.853 696 HA LEU 93 HA LEU 93 -9.615 -0.321 3.866 697 HB2 LEU 93 HB2 LEU 93 -8.360 -1.721 6.202 698 HB3 LEU 93 HB1 LEU 93 -10.089 -1.729 5.943 699 HG LEU 93 HG LEU 93 -9.932 -3.117 4.075 700 HD11 LEU 93 HD11 LEU 93 -6.996 -2.434 3.958 701 HD12 LEU 93 HD12 LEU 93 -8.246 -1.937 2.815 702 HD13 LEU 93 HD13 LEU 93 -7.797 -3.639 2.942 703 HD21 LEU 93 HD21 LEU 93 -9.388 -4.228 6.190 704 HD22 LEU 93 HD22 LEU 93 -7.673 -3.934 5.890 705 HD23 LEU 93 HD23 LEU 93 -8.592 -4.992 4.815 706 H GLU 94 HN GLU 94 -7.713 0.935 6.404 707 HA GLU 94 HA GLU 94 -9.628 1.955 8.157 708 HB2 GLU 94 HB2 GLU 94 -6.861 2.830 7.366 709 HB3 GLU 94 HB1 GLU 94 -7.753 3.609 8.678 710 HG2 GLU 94 HG2 GLU 94 -7.064 0.682 8.556 711 HG3 GLU 94 HG1 GLU 94 -6.126 1.898 9.419 712 H GLN 95 HN GLN 95 -8.471 3.036 5.073 713 HA GLN 95 HA GLN 95 -9.474 5.719 5.300 714 HB2 GLN 95 HB2 GLN 95 -8.616 4.331 2.782 715 HB3 GLN 95 HB1 GLN 95 -8.422 6.022 3.225 716 HG2 GLN 95 HG2 GLN 95 -6.989 3.757 4.575 717 HG3 GLN 95 HG1 GLN 95 -6.323 4.683 3.243 718 HE21 GLN 95 HE21 GLN 95 -5.492 4.338 6.028 719 HE22 GLN 95 HE22 GLN 95 -5.350 5.936 6.675 720 H ILE 96 HN ILE 96 -10.622 2.659 4.362 721 HA ILE 96 HA ILE 96 -12.338 3.422 2.240 722 HB ILE 96 HB ILE 96 -12.205 0.900 3.868 723 HG12 ILE 96 HG12 ILE 96 -10.102 1.631 2.838 724 HG13 ILE 96 HG11 ILE 96 -10.688 0.129 2.165 725 HG21 ILE 96 HG21 ILE 96 -14.279 1.163 2.503 726 HG22 ILE 96 HG22 ILE 96 -13.283 -0.231 2.091 727 HG23 ILE 96 HG23 ILE 96 -13.245 1.208 1.075 728 HD11 ILE 96 HD11 ILE 96 -11.125 2.812 0.883 729 HD12 ILE 96 HD12 ILE 96 -11.395 1.219 0.170 730 HD13 ILE 96 HD13 ILE 96 -9.750 1.765 0.519 731 HA PRO 97 HA PRO 97 -15.748 4.943 4.426 732 HB2 PRO 97 HB2 PRO 97 -17.573 4.895 2.480 733 HB3 PRO 97 HB1 PRO 97 -16.131 5.913 2.369 734 HG2 PRO 97 HG2 PRO 97 -16.592 3.194 1.198 735 HG3 PRO 97 HG1 PRO 97 -15.995 4.648 0.392 736 HD2 PRO 97 HD2 PRO 97 -14.336 2.739 1.289 737 HD3 PRO 97 HD1 PRO 97 -13.903 4.447 1.324 738 H GLY 98 HN GLY 98 -15.897 2.994 5.895 739 HA2 GLY 98 HA2 GLY 98 -17.506 1.832 7.088 740 HA3 GLY 98 HA1 GLY 98 -18.631 2.097 5.769 741 H ILE 99 HN ILE 99 -17.631 0.865 3.668 742 HA ILE 99 HA ILE 99 -18.185 -1.827 3.992 743 HB ILE 99 HB ILE 99 -16.587 -1.961 1.834 744 HG12 ILE 99 HG12 ILE 99 -17.587 0.836 1.564 745 HG13 ILE 99 HG11 ILE 99 -16.091 0.565 2.447 746 HG21 ILE 99 HG21 ILE 99 -18.954 -2.477 1.870 747 HG22 ILE 99 HG22 ILE 99 -18.562 -1.466 0.480 748 HG23 ILE 99 HG23 ILE 99 -19.347 -0.757 1.891 749 HD11 ILE 99 HD11 ILE 99 -15.605 1.105 0.169 750 HD12 ILE 99 HD12 ILE 99 -16.655 -0.197 -0.405 751 HD13 ILE 99 HD13 ILE 99 -15.172 -0.581 0.478 752 H GLY 100 HN GLY 100 -15.064 -0.192 4.138 753 HA2 GLY 100 HA2 GLY 100 -13.732 -2.779 4.467 754 HA3 GLY 100 HA1 GLY 100 -12.949 -1.260 4.042 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 -3.261 12.367 -4.459 2 H2 GLY 1 HT2 GLY 1 -3.987 13.449 -3.383 3 H3 GLY 1 HT3 GLY 1 -4.678 13.176 -4.901 4 HA2 GLY 1 HA1 GLY 1 -5.134 10.876 -4.305 5 HA3 GLY 1 HA2 GLY 1 -4.439 11.182 -2.721 6 H SER 2 HN SER 2 -7.067 12.042 -4.899 7 HA SER 2 HA SER 2 -8.839 12.317 -2.621 8 HB2 SER 2 HB2 SER 2 -8.416 14.581 -4.588 9 HB3 SER 2 HB1 SER 2 -9.693 14.522 -3.374 10 HG SER 2 HG SER 2 -7.507 14.052 -2.055 11 H THR 3 HN THR 3 -9.646 10.386 -3.557 12 HA THR 3 HA THR 3 -11.721 10.876 -5.506 13 HB THR 3 HB THR 3 -9.351 9.143 -6.126 14 HG1 THR 3 HG1 THR 3 -10.049 11.454 -6.958 15 HG21 THR 3 HG21 THR 3 -12.103 8.841 -7.326 16 HG22 THR 3 HG22 THR 3 -11.266 7.660 -6.311 17 HG23 THR 3 HG23 THR 3 -10.635 8.058 -7.915 18 H ALA 4 HN ALA 4 -9.922 8.179 -4.091 19 HA ALA 4 HA ALA 4 -10.476 6.374 -2.897 20 HB1 ALA 4 HB1 ALA 4 -13.073 7.782 -2.299 21 HB2 ALA 4 HB2 ALA 4 -11.584 7.946 -1.369 22 HB3 ALA 4 HB3 ALA 4 -12.414 6.392 -1.436 23 H THR 5 HN THR 5 -13.466 7.389 -4.533 24 HA THR 5 HA THR 5 -14.775 5.080 -4.965 25 HB THR 5 HB THR 5 -14.363 7.075 -7.181 26 HG1 THR 5 HG1 THR 5 -15.193 8.509 -5.874 27 HG21 THR 5 HG21 THR 5 -16.708 6.560 -7.685 28 HG22 THR 5 HG22 THR 5 -16.736 5.396 -6.363 29 HG23 THR 5 HG23 THR 5 -15.702 5.115 -7.764 30 H LEU 6 HN LEU 6 -11.885 6.020 -6.662 31 HA LEU 6 HA LEU 6 -11.809 4.204 -8.733 32 HB2 LEU 6 HB2 LEU 6 -10.172 5.894 -8.654 33 HB3 LEU 6 HB1 LEU 6 -9.719 5.486 -7.012 34 HG LEU 6 HG LEU 6 -8.634 3.438 -7.807 35 HD11 LEU 6 HD11 LEU 6 -8.320 3.078 -10.211 36 HD12 LEU 6 HD12 LEU 6 -9.392 4.436 -10.553 37 HD13 LEU 6 HD13 LEU 6 -10.021 2.994 -9.755 38 HD21 LEU 6 HD21 LEU 6 -7.747 5.895 -9.315 39 HD22 LEU 6 HD22 LEU 6 -6.748 4.509 -8.879 40 HD23 LEU 6 HD23 LEU 6 -7.399 5.562 -7.619 41 H LEU 7 HN LEU 7 -10.256 3.832 -5.563 42 HA LEU 7 HA LEU 7 -9.980 0.983 -6.011 43 HB2 LEU 7 HB2 LEU 7 -8.574 2.925 -4.558 44 HB3 LEU 7 HB1 LEU 7 -9.282 1.854 -3.362 45 HG LEU 7 HG LEU 7 -7.001 1.164 -4.014 46 HD11 LEU 7 HD11 LEU 7 -7.537 -1.165 -4.195 47 HD12 LEU 7 HD12 LEU 7 -9.130 -0.792 -4.866 48 HD13 LEU 7 HD13 LEU 7 -8.764 -0.386 -3.189 49 HD21 LEU 7 HD21 LEU 7 -7.202 1.892 -6.400 50 HD22 LEU 7 HD22 LEU 7 -8.239 0.494 -6.684 51 HD23 LEU 7 HD23 LEU 7 -6.562 0.261 -6.193 52 H THR 8 HN THR 8 -11.862 3.198 -4.144 53 HA THR 8 HA THR 8 -12.884 1.516 -2.169 54 HB THR 8 HB THR 8 -13.983 3.945 -3.531 55 HG1 THR 8 HG1 THR 8 -12.185 3.593 -1.696 56 HG21 THR 8 HG21 THR 8 -15.905 2.612 -2.751 57 HG22 THR 8 HG22 THR 8 -15.715 4.099 -1.823 58 HG23 THR 8 HG23 THR 8 -15.196 2.561 -1.138 59 H SER 9 HN SER 9 -13.866 1.966 -5.514 60 HA SER 9 HA SER 9 -16.224 0.403 -5.387 61 HB2 SER 9 HB2 SER 9 -16.010 1.885 -7.221 62 HB3 SER 9 HB1 SER 9 -14.419 1.265 -7.648 63 HG SER 9 HG SER 9 -15.978 -0.810 -7.786 64 H LYS 10 HN LYS 10 -12.857 -0.369 -5.559 65 HA LYS 10 HA LYS 10 -13.120 -3.091 -6.329 66 HB2 LYS 10 HB2 LYS 10 -10.963 -1.802 -6.402 67 HB3 LYS 10 HB1 LYS 10 -10.966 -1.806 -4.639 68 HG2 LYS 10 HG2 LYS 10 -9.486 -3.499 -5.352 69 HG3 LYS 10 HG1 LYS 10 -10.924 -4.286 -4.713 70 HD2 LYS 10 HD2 LYS 10 -10.727 -3.733 -7.634 71 HD3 LYS 10 HD1 LYS 10 -9.844 -5.104 -6.956 72 HE2 LYS 10 HE2 LYS 10 -12.191 -5.641 -5.872 73 HE3 LYS 10 HE1 LYS 10 -12.780 -4.652 -7.202 74 HZ1 LYS 10 HZ1 LYS 10 -11.648 -6.102 -8.757 75 HZ2 LYS 10 HZ2 LYS 10 -12.737 -6.976 -7.806 76 HZ3 LYS 10 HZ3 LYS 10 -11.081 -7.065 -7.488 77 H LEU 11 HN LEU 11 -12.508 -1.530 -3.210 78 HA LEU 11 HA LEU 11 -12.548 -3.878 -1.687 79 HB2 LEU 11 HB2 LEU 11 -13.207 -1.087 -0.766 80 HB3 LEU 11 HB1 LEU 11 -12.842 -2.439 0.280 81 HG LEU 11 HG LEU 11 -10.805 -1.433 0.277 82 HD11 LEU 11 HD11 LEU 11 -10.603 -2.937 -2.321 83 HD12 LEU 11 HD12 LEU 11 -10.582 -3.688 -0.719 84 HD13 LEU 11 HD13 LEU 11 -9.292 -2.576 -1.190 85 HD21 LEU 11 HD21 LEU 11 -9.926 -0.013 -1.381 86 HD22 LEU 11 HD22 LEU 11 -11.649 0.363 -1.303 87 HD23 LEU 11 HD23 LEU 11 -11.022 -0.642 -2.613 88 H ALA 12 HN ALA 12 -15.112 -1.864 -2.814 89 HA ALA 12 HA ALA 12 -17.223 -2.672 -1.202 90 HB1 ALA 12 HB1 ALA 12 -17.238 -2.080 -4.162 91 HB2 ALA 12 HB2 ALA 12 -17.380 -0.890 -2.867 92 HB3 ALA 12 HB3 ALA 12 -18.653 -2.088 -3.107 93 H GLY 13 HN GLY 13 -15.566 -4.353 -3.768 94 HA2 GLY 13 HA2 GLY 13 -17.560 -6.472 -3.884 95 HA3 GLY 13 HA1 GLY 13 -16.111 -6.338 -4.870 96 H LEU 14 HN LEU 14 -14.900 -5.790 -1.944 97 HA LEU 14 HA LEU 14 -14.262 -8.620 -1.520 98 HB2 LEU 14 HB2 LEU 14 -12.808 -6.122 -0.774 99 HB3 LEU 14 HB1 LEU 14 -12.353 -7.677 -0.184 100 HG LEU 14 HG LEU 14 -10.920 -7.620 -1.882 101 HD11 LEU 14 HD11 LEU 14 -11.747 -8.666 -3.909 102 HD12 LEU 14 HD12 LEU 14 -13.405 -8.300 -3.425 103 HD13 LEU 14 HD13 LEU 14 -12.430 -9.419 -2.464 104 HD21 LEU 14 HD21 LEU 14 -11.231 -6.230 -3.886 105 HD22 LEU 14 HD22 LEU 14 -11.341 -5.333 -2.368 106 HD23 LEU 14 HD23 LEU 14 -12.808 -5.744 -3.260 107 H THR 15 HN THR 15 -13.694 -9.176 0.658 108 HA THR 15 HA THR 15 -15.278 -7.831 2.722 109 HB THR 15 HB THR 15 -14.894 -9.798 4.068 110 HG1 THR 15 HG1 THR 15 -13.414 -11.384 3.465 111 HG21 THR 15 HG21 THR 15 -15.389 -10.610 1.198 112 HG22 THR 15 HG22 THR 15 -16.610 -10.080 2.360 113 HG23 THR 15 HG23 THR 15 -15.755 -11.603 2.613 114 H ALA 16 HN ALA 16 -13.946 -7.542 4.841 115 HA ALA 16 HA ALA 16 -11.918 -5.746 4.465 116 HB1 ALA 16 HB1 ALA 16 -11.231 -6.176 6.780 117 HB2 ALA 16 HB2 ALA 16 -12.178 -7.663 6.786 118 HB3 ALA 16 HB3 ALA 16 -12.985 -6.104 6.627 119 H THR 17 HN THR 17 -11.559 -9.243 4.891 120 HA THR 17 HA THR 17 -8.765 -9.329 4.904 121 HB THR 17 HB THR 17 -10.775 -11.426 4.085 122 HG1 THR 17 HG1 THR 17 -11.028 -10.955 6.233 123 HG21 THR 17 HG21 THR 17 -7.849 -11.733 4.752 124 HG22 THR 17 HG22 THR 17 -8.569 -11.932 3.156 125 HG23 THR 17 HG23 THR 17 -8.984 -13.049 4.456 126 H GLU 18 HN GLU 18 -11.052 -9.684 2.172 127 HA GLU 18 HA GLU 18 -8.983 -10.118 0.302 128 HB2 GLU 18 HB2 GLU 18 -11.864 -9.350 -0.049 129 HB3 GLU 18 HB1 GLU 18 -10.787 -9.829 -1.342 130 HG2 GLU 18 HG2 GLU 18 -10.513 -12.011 -0.277 131 HG3 GLU 18 HG1 GLU 18 -11.633 -11.509 0.984 132 H GLN 19 HN GLN 19 -10.688 -7.337 1.529 133 HA GLN 19 HA GLN 19 -9.751 -5.409 -0.281 134 HB2 GLN 19 HB2 GLN 19 -10.355 -5.170 2.663 135 HB3 GLN 19 HB1 GLN 19 -10.196 -3.820 1.559 136 HG2 GLN 19 HG2 GLN 19 -12.099 -4.550 0.327 137 HG3 GLN 19 HG1 GLN 19 -12.218 -6.003 1.287 138 HE21 GLN 19 HE21 GLN 19 -14.240 -4.108 0.868 139 HE22 GLN 19 HE22 GLN 19 -14.651 -3.439 2.415 140 H ARG 20 HN ARG 20 -8.384 -6.754 2.689 141 HA ARG 20 HA ARG 20 -5.948 -5.352 2.721 142 HB2 ARG 20 HB2 ARG 20 -5.985 -8.309 3.253 143 HB3 ARG 20 HB1 ARG 20 -5.069 -7.053 4.072 144 HG2 ARG 20 HG2 ARG 20 -7.075 -6.274 5.152 145 HG3 ARG 20 HG1 ARG 20 -8.040 -7.474 4.286 146 HD2 ARG 20 HD2 ARG 20 -7.642 -8.317 6.476 147 HD3 ARG 20 HD1 ARG 20 -6.629 -9.228 5.364 148 HE ARG 20 HE ARG 20 -5.350 -6.979 6.664 149 HH11 ARG 20 HH11 ARG 20 -5.941 -10.421 6.633 150 HH12 ARG 20 HH12 ARG 20 -4.674 -10.781 7.758 151 HH21 ARG 20 HH21 ARG 20 -3.655 -7.441 8.156 152 HH22 ARG 20 HH22 ARG 20 -3.389 -9.094 8.631 153 H ALA 21 HN ALA 21 -6.913 -8.300 1.089 154 HA ALA 21 HA ALA 21 -4.424 -9.028 0.049 155 HB1 ALA 21 HB1 ALA 21 -6.318 -10.557 0.240 156 HB2 ALA 21 HB2 ALA 21 -5.663 -10.540 -1.398 157 HB3 ALA 21 HB3 ALA 21 -7.156 -9.674 -1.036 158 H VAL 22 HN VAL 22 -7.003 -7.117 -1.416 159 HA VAL 22 HA VAL 22 -5.881 -7.141 -4.000 160 HB VAL 22 HB VAL 22 -7.444 -5.225 -4.469 161 HG11 VAL 22 HG11 VAL 22 -8.027 -7.634 -4.718 162 HG12 VAL 22 HG12 VAL 22 -9.408 -6.597 -4.370 163 HG13 VAL 22 HG13 VAL 22 -8.708 -7.590 -3.090 164 HG21 VAL 22 HG21 VAL 22 -8.198 -5.673 -1.578 165 HG22 VAL 22 HG22 VAL 22 -9.117 -4.706 -2.732 166 HG23 VAL 22 HG23 VAL 22 -7.492 -4.208 -2.264 167 H THR 23 HN THR 23 -5.603 -4.665 -1.405 168 HA THR 23 HA THR 23 -3.648 -3.411 -3.139 169 HB THR 23 HB THR 23 -4.905 -1.774 -2.194 170 HG1 THR 23 HG1 THR 23 -3.075 -1.181 -0.377 171 HG21 THR 23 HG21 THR 23 -5.369 -1.459 0.147 172 HG22 THR 23 HG22 THR 23 -4.358 -2.842 0.547 173 HG23 THR 23 HG23 THR 23 -5.866 -3.085 -0.330 174 H ARG 24 HN ARG 24 -3.618 -5.660 -0.545 175 HA ARG 24 HA ARG 24 -0.874 -5.381 0.111 176 HB2 ARG 24 HB2 ARG 24 -2.334 -6.930 1.319 177 HB3 ARG 24 HB1 ARG 24 -2.584 -7.868 -0.141 178 HG2 ARG 24 HG2 ARG 24 0.092 -7.981 0.029 179 HG3 ARG 24 HG1 ARG 24 -0.326 -7.851 1.741 180 HD2 ARG 24 HD2 ARG 24 -1.884 -9.725 1.475 181 HD3 ARG 24 HD1 ARG 24 -1.407 -9.866 -0.213 182 HE ARG 24 HE ARG 24 0.886 -10.044 1.381 183 HH11 ARG 24 HH11 ARG 24 -2.025 -11.856 0.704 184 HH12 ARG 24 HH12 ARG 24 -1.291 -13.396 1.004 185 HH21 ARG 24 HH21 ARG 24 1.867 -12.064 1.763 186 HH22 ARG 24 HH22 ARG 24 0.932 -13.517 1.596 187 H LYS 25 HN LYS 25 -2.511 -6.005 -2.691 188 HA LYS 25 HA LYS 25 -0.231 -7.046 -4.135 189 HB2 LYS 25 HB2 LYS 25 -2.080 -8.216 -4.826 190 HB3 LYS 25 HB1 LYS 25 -3.180 -6.903 -4.480 191 HG2 LYS 25 HG2 LYS 25 -3.168 -7.322 -6.826 192 HG3 LYS 25 HG1 LYS 25 -2.419 -5.761 -6.502 193 HD2 LYS 25 HD2 LYS 25 -0.192 -6.886 -6.662 194 HD3 LYS 25 HD1 LYS 25 -1.030 -8.356 -7.167 195 HE2 LYS 25 HE2 LYS 25 -2.022 -7.058 -9.047 196 HE3 LYS 25 HE1 LYS 25 -1.010 -5.695 -8.580 197 HZ1 LYS 25 HZ1 LYS 25 0.079 -6.855 -10.318 198 HZ2 LYS 25 HZ2 LYS 25 -0.108 -8.345 -9.545 199 HZ3 LYS 25 HZ3 LYS 25 0.935 -7.184 -8.897 200 H LEU 26 HN LEU 26 -2.416 -4.220 -3.840 201 HA LEU 26 HA LEU 26 -1.253 -2.765 -5.979 202 HB2 LEU 26 HB2 LEU 26 -3.527 -2.365 -5.332 203 HB3 LEU 26 HB1 LEU 26 -3.037 -1.942 -3.711 204 HG LEU 26 HG LEU 26 -3.739 -0.073 -5.304 205 HD11 LEU 26 HD11 LEU 26 -2.382 1.461 -4.143 206 HD12 LEU 26 HD12 LEU 26 -1.128 0.248 -3.889 207 HD13 LEU 26 HD13 LEU 26 -2.678 0.096 -3.059 208 HD21 LEU 26 HD21 LEU 26 -0.921 -0.455 -6.250 209 HD22 LEU 26 HD22 LEU 26 -1.998 0.881 -6.672 210 HD23 LEU 26 HD23 LEU 26 -2.373 -0.761 -7.201 211 H VAL 27 HN VAL 27 -0.954 -2.271 -2.404 212 HA VAL 27 HA VAL 27 0.876 -0.167 -2.599 213 HB VAL 27 HB VAL 27 -0.077 -0.583 -0.430 214 HG11 VAL 27 HG11 VAL 27 1.238 -3.272 -0.621 215 HG12 VAL 27 HG12 VAL 27 -0.478 -2.910 -0.445 216 HG13 VAL 27 HG13 VAL 27 0.633 -2.594 0.891 217 HG21 VAL 27 HG21 VAL 27 2.866 -1.263 -0.332 218 HG22 VAL 27 HG22 VAL 27 1.900 -0.609 0.995 219 HG23 VAL 27 HG23 VAL 27 2.194 0.366 -0.446 220 H LEU 28 HN LEU 28 1.243 -3.571 -2.670 221 HA LEU 28 HA LEU 28 4.006 -3.865 -2.710 222 HB2 LEU 28 HB2 LEU 28 1.915 -5.515 -2.705 223 HB3 LEU 28 HB1 LEU 28 2.264 -5.557 -4.417 224 HG LEU 28 HG LEU 28 4.445 -6.476 -4.017 225 HD11 LEU 28 HD11 LEU 28 5.069 -5.272 -2.055 226 HD12 LEU 28 HD12 LEU 28 5.150 -6.998 -1.702 227 HD13 LEU 28 HD13 LEU 28 3.783 -6.037 -1.122 228 HD21 LEU 28 HD21 LEU 28 2.226 -7.760 -2.441 229 HD22 LEU 28 HD22 LEU 28 3.776 -8.549 -2.756 230 HD23 LEU 28 HD23 LEU 28 2.720 -8.110 -4.101 231 H ASP 29 HN ASP 29 1.683 -3.456 -5.304 232 HA ASP 29 HA ASP 29 3.489 -3.671 -7.471 233 HB2 ASP 29 HB2 ASP 29 0.966 -3.905 -7.552 234 HB3 ASP 29 HB1 ASP 29 0.882 -2.158 -7.432 235 H GLN 30 HN GLN 30 2.109 -0.960 -5.703 236 HA GLN 30 HA GLN 30 3.292 1.123 -7.126 237 HB2 GLN 30 HB2 GLN 30 2.668 0.988 -4.197 238 HB3 GLN 30 HB1 GLN 30 2.835 2.447 -5.160 239 HG2 GLN 30 HG2 GLN 30 0.668 0.370 -5.373 240 HG3 GLN 30 HG1 GLN 30 0.525 2.032 -4.814 241 HE21 GLN 30 HE21 GLN 30 0.903 -0.042 -7.555 242 HE22 GLN 30 HE22 GLN 30 0.529 1.140 -8.763 243 H ALA 31 HN ALA 31 4.344 -0.607 -4.256 244 HA ALA 31 HA ALA 31 6.732 0.808 -3.778 245 HB1 ALA 31 HB1 ALA 31 5.634 -0.716 -2.171 246 HB2 ALA 31 HB2 ALA 31 7.342 -1.102 -2.408 247 HB3 ALA 31 HB3 ALA 31 6.096 -2.086 -3.190 248 H ALA 32 HN ALA 32 5.845 -1.766 -5.865 249 HA ALA 32 HA ALA 32 8.427 -2.605 -6.640 250 HB1 ALA 32 HB1 ALA 32 6.957 -3.421 -8.671 251 HB2 ALA 32 HB2 ALA 32 5.609 -2.934 -7.625 252 HB3 ALA 32 HB3 ALA 32 6.772 -4.156 -7.079 253 H SER 33 HN SER 33 6.028 -0.371 -7.920 254 HA SER 33 HA SER 33 7.376 0.385 -10.259 255 HB2 SER 33 HB2 SER 33 5.435 1.874 -8.482 256 HB3 SER 33 HB1 SER 33 5.888 2.397 -10.111 257 HG SER 33 HG SER 33 4.965 -0.225 -9.775 258 H VAL 34 HN VAL 34 7.519 1.541 -6.951 259 HA VAL 34 HA VAL 34 9.180 3.776 -7.314 260 HB VAL 34 HB VAL 34 9.177 1.971 -4.911 261 HG11 VAL 34 HG11 VAL 34 9.551 4.112 -3.708 262 HG12 VAL 34 HG12 VAL 34 9.654 4.925 -5.268 263 HG13 VAL 34 HG13 VAL 34 10.845 3.701 -4.833 264 HG21 VAL 34 HG21 VAL 34 6.902 2.402 -5.514 265 HG22 VAL 34 HG22 VAL 34 7.214 4.138 -5.577 266 HG23 VAL 34 HG23 VAL 34 7.330 3.270 -4.046 267 H LEU 35 HN LEU 35 9.835 0.540 -6.130 268 HA LEU 35 HA LEU 35 12.543 0.945 -5.666 269 HB2 LEU 35 HB2 LEU 35 10.565 -1.148 -5.551 270 HB3 LEU 35 HB1 LEU 35 12.174 -1.766 -5.890 271 HG LEU 35 HG LEU 35 12.903 -1.328 -3.777 272 HD11 LEU 35 HD11 LEU 35 11.006 1.017 -3.681 273 HD12 LEU 35 HD12 LEU 35 12.764 1.078 -3.836 274 HD13 LEU 35 HD13 LEU 35 12.034 0.502 -2.340 275 HD21 LEU 35 HD21 LEU 35 10.910 -1.478 -2.194 276 HD22 LEU 35 HD22 LEU 35 11.132 -2.769 -3.371 277 HD23 LEU 35 HD23 LEU 35 9.927 -1.510 -3.663 278 H GLY 36 HN GLY 36 10.890 -0.143 -8.552 279 HA2 GLY 36 HA2 GLY 36 12.352 0.290 -10.576 280 HA3 GLY 36 HA1 GLY 36 13.532 -0.687 -9.716 281 H TYR 37 HN TYR 37 10.339 -1.662 -9.309 282 HA TYR 37 HA TYR 37 10.996 -4.118 -10.756 283 HB2 TYR 37 HB2 TYR 37 8.807 -3.648 -8.732 284 HB3 TYR 37 HB1 TYR 37 9.433 -5.192 -9.280 285 HD1 TYR 37 HD1 TYR 37 9.144 -4.338 -6.442 286 HD2 TYR 37 HD2 TYR 37 12.409 -3.993 -9.127 287 HE1 TYR 37 HE1 TYR 37 10.688 -4.368 -4.554 288 HE2 TYR 37 HE2 TYR 37 13.980 -4.000 -7.250 289 HH TYR 37 HH TYR 37 13.939 -3.489 -4.799 290 H ALA 38 HN ALA 38 8.915 -5.304 -11.507 291 HA ALA 38 HA ALA 38 7.016 -3.429 -12.719 292 HB1 ALA 38 HB1 ALA 38 8.476 -5.522 -14.320 293 HB2 ALA 38 HB2 ALA 38 8.856 -3.799 -14.335 294 HB3 ALA 38 HB3 ALA 38 7.291 -4.362 -14.920 295 H SER 39 HN SER 39 7.576 -6.240 -11.056 296 HA SER 39 HA SER 39 4.848 -7.133 -11.472 297 HB2 SER 39 HB2 SER 39 6.131 -8.315 -13.221 298 HB3 SER 39 HB1 SER 39 7.217 -8.951 -11.994 299 HG SER 39 HG SER 39 5.188 -9.859 -11.049 300 H THR 40 HN THR 40 6.469 -5.958 -9.340 301 HA THR 40 HA THR 40 7.179 -6.207 -7.192 302 HB THR 40 HB THR 40 5.620 -7.409 -5.693 303 HG1 THR 40 HG1 THR 40 4.967 -8.690 -7.995 304 HG21 THR 40 HG21 THR 40 4.373 -5.676 -7.821 305 HG22 THR 40 HG22 THR 40 5.090 -5.142 -6.296 306 HG23 THR 40 HG23 THR 40 3.596 -6.083 -6.289 307 H GLU 41 HN GLU 41 8.658 -7.709 -8.902 308 HA GLU 41 HA GLU 41 8.726 -10.458 -8.495 309 HB2 GLU 41 HB2 GLU 41 11.115 -10.234 -9.396 310 HB3 GLU 41 HB1 GLU 41 9.790 -9.683 -10.408 311 HG2 GLU 41 HG2 GLU 41 11.023 -7.651 -8.672 312 HG3 GLU 41 HG1 GLU 41 12.010 -8.265 -9.998 313 H SER 42 HN SER 42 10.658 -7.951 -6.833 314 HA SER 42 HA SER 42 11.655 -10.100 -5.093 315 HB2 SER 42 HB2 SER 42 13.622 -8.554 -4.703 316 HB3 SER 42 HB1 SER 42 13.489 -9.210 -6.334 317 HG SER 42 HG SER 42 13.239 -6.608 -5.437 318 H LEU 43 HN LEU 43 9.208 -8.615 -4.707 319 HA LEU 43 HA LEU 43 9.840 -7.030 -2.347 320 HB2 LEU 43 HB2 LEU 43 7.357 -7.418 -3.971 321 HB3 LEU 43 HB1 LEU 43 7.336 -6.605 -2.416 322 HG LEU 43 HG LEU 43 9.048 -5.724 -4.729 323 HD11 LEU 43 HD11 LEU 43 7.406 -3.963 -5.050 324 HD12 LEU 43 HD12 LEU 43 6.383 -4.692 -3.808 325 HD13 LEU 43 HD13 LEU 43 6.706 -5.562 -5.308 326 HD21 LEU 43 HD21 LEU 43 8.277 -4.447 -2.116 327 HD22 LEU 43 HD22 LEU 43 9.161 -3.643 -3.412 328 HD23 LEU 43 HD23 LEU 43 9.878 -5.025 -2.580 329 H ASP 44 HN ASP 44 8.399 -7.281 -0.489 330 HA ASP 44 HA ASP 44 7.390 -9.993 -0.069 331 HB2 ASP 44 HB2 ASP 44 9.832 -9.431 0.906 332 HB3 ASP 44 HB1 ASP 44 8.861 -8.708 2.177 333 H THR 45 HN THR 45 5.548 -10.004 1.178 334 HA THR 45 HA THR 45 4.553 -7.382 1.976 335 HB THR 45 HB THR 45 2.428 -8.751 2.454 336 HG1 THR 45 HG1 THR 45 3.427 -10.579 0.568 337 HG21 THR 45 HG21 THR 45 2.535 -7.254 0.602 338 HG22 THR 45 HG22 THR 45 1.819 -8.768 0.047 339 HG23 THR 45 HG23 THR 45 3.502 -8.395 -0.330 340 H HIS 46 HN HIS 46 6.254 -9.895 3.290 341 HA HIS 46 HA HIS 46 5.096 -9.514 5.967 342 HB2 HIS 46 HB2 HIS 46 6.947 -11.688 4.960 343 HB3 HIS 46 HB1 HIS 46 6.312 -11.572 6.591 344 HD1 HIS 46 HD1 HIS 46 4.488 -13.176 6.949 345 HD2 HIS 46 HD2 HIS 46 4.538 -11.749 3.052 346 HE1 HIS 46 HE1 HIS 46 2.626 -14.384 5.767 347 HE2 HIS 46 HE2 HIS 46 2.843 -13.677 3.359 348 H GLU 47 HN GLU 47 7.494 -8.330 4.053 349 HA GLU 47 HA GLU 47 9.282 -7.875 6.339 350 HB2 GLU 47 HB2 GLU 47 11.107 -8.260 5.076 351 HB3 GLU 47 HB1 GLU 47 10.001 -9.081 3.989 352 HG2 GLU 47 HG2 GLU 47 9.751 -6.934 2.743 353 HG3 GLU 47 HG1 GLU 47 11.005 -6.259 3.777 354 H SER 48 HN SER 48 10.164 -5.748 6.510 355 HA SER 48 HA SER 48 8.029 -3.868 5.996 356 HB2 SER 48 HB2 SER 48 10.575 -3.188 7.442 357 HB3 SER 48 HB1 SER 48 8.939 -2.591 7.718 358 HG SER 48 HG SER 48 8.692 -4.118 9.120 359 H PHE 49 HN PHE 49 8.247 -1.895 4.956 360 HA PHE 49 HA PHE 49 9.633 -1.823 2.568 361 HB2 PHE 49 HB2 PHE 49 8.627 0.516 4.175 362 HB3 PHE 49 HB1 PHE 49 9.117 0.589 2.487 363 HD1 PHE 49 HD1 PHE 49 7.726 -0.240 0.763 364 HD2 PHE 49 HD2 PHE 49 6.588 -0.669 4.833 365 HE1 PHE 49 HE1 PHE 49 5.473 -0.880 0.059 366 HE2 PHE 49 HE2 PHE 49 4.319 -1.313 4.130 367 HZ PHE 49 HZ PHE 49 3.714 -1.310 1.819 368 H LYS 50 HN LYS 50 10.649 -0.703 5.690 369 HA LYS 50 HA LYS 50 12.965 0.627 5.219 370 HB2 LYS 50 HB2 LYS 50 11.892 -0.292 7.400 371 HB3 LYS 50 HB1 LYS 50 12.903 -1.699 7.110 372 HG2 LYS 50 HG2 LYS 50 14.081 -0.353 8.605 373 HG3 LYS 50 HG1 LYS 50 14.868 -0.128 7.046 374 HD2 LYS 50 HD2 LYS 50 14.673 2.015 8.088 375 HD3 LYS 50 HD1 LYS 50 13.513 1.955 6.762 376 HE2 LYS 50 HE2 LYS 50 12.547 2.971 8.774 377 HE3 LYS 50 HE1 LYS 50 11.712 1.487 8.326 378 HZ1 LYS 50 HZ1 LYS 50 12.138 1.655 10.719 379 HZ2 LYS 50 HZ2 LYS 50 13.801 1.683 10.427 380 HZ3 LYS 50 HZ3 LYS 50 12.899 0.307 10.039 381 H ASP 51 HN ASP 51 12.541 -2.866 5.241 382 HA ASP 51 HA ASP 51 15.175 -3.457 4.349 383 HB2 ASP 51 HB2 ASP 51 13.618 -4.903 5.760 384 HB3 ASP 51 HB1 ASP 51 12.807 -5.305 4.256 385 H LEU 52 HN LEU 52 12.215 -2.686 2.774 386 HA LEU 52 HA LEU 52 12.845 -3.801 0.218 387 HB2 LEU 52 HB2 LEU 52 10.813 -1.860 1.234 388 HB3 LEU 52 HB1 LEU 52 11.028 -2.067 -0.476 389 HG LEU 52 HG LEU 52 10.434 -4.447 -0.276 390 HD11 LEU 52 HD11 LEU 52 9.428 -5.201 1.856 391 HD12 LEU 52 HD12 LEU 52 10.069 -3.744 2.614 392 HD13 LEU 52 HD13 LEU 52 11.170 -4.940 1.928 393 HD21 LEU 52 HD21 LEU 52 8.478 -2.527 0.947 394 HD22 LEU 52 HD22 LEU 52 8.077 -4.152 0.389 395 HD23 LEU 52 HD23 LEU 52 8.643 -2.935 -0.763 396 H GLY 53 HN GLY 53 13.757 -1.039 1.967 397 HA2 GLY 53 HA2 GLY 53 15.718 0.116 1.264 398 HA3 GLY 53 HA1 GLY 53 15.210 -0.089 -0.399 399 H PHE 54 HN PHE 54 12.616 0.836 1.623 400 HA PHE 54 HA PHE 54 12.532 3.385 0.352 401 HB2 PHE 54 HB2 PHE 54 10.760 2.104 2.431 402 HB3 PHE 54 HB1 PHE 54 10.482 3.710 1.768 403 HD1 PHE 54 HD1 PHE 54 9.719 4.023 -0.468 404 HD2 PHE 54 HD2 PHE 54 10.567 0.142 1.029 405 HE1 PHE 54 HE1 PHE 54 8.525 3.043 -2.366 406 HE2 PHE 54 HE2 PHE 54 9.388 -0.862 -0.863 407 HZ PHE 54 HZ PHE 54 8.493 0.602 -2.676 408 H ASP 55 HN ASP 55 12.193 5.401 1.470 409 HA ASP 55 HA ASP 55 13.392 5.874 4.032 410 HB2 ASP 55 HB2 ASP 55 15.336 5.500 2.334 411 HB3 ASP 55 HB1 ASP 55 14.857 7.062 1.678 412 H SER 56 HN SER 56 14.030 8.602 3.629 413 HA SER 56 HA SER 56 11.388 9.711 3.330 414 HB2 SER 56 HB2 SER 56 14.021 11.135 3.784 415 HB3 SER 56 HB1 SER 56 12.410 11.811 4.019 416 HG SER 56 HG SER 56 13.878 10.480 5.764 417 H LEU 57 HN LEU 57 12.278 8.545 0.999 418 HA LEU 57 HA LEU 57 12.190 10.741 -0.904 419 HB2 LEU 57 HB2 LEU 57 14.016 8.368 -1.095 420 HB3 LEU 57 HB1 LEU 57 13.881 9.651 -2.278 421 HG LEU 57 HG LEU 57 14.809 10.068 0.552 422 HD11 LEU 57 HD11 LEU 57 16.454 9.685 -1.948 423 HD12 LEU 57 HD12 LEU 57 16.344 8.567 -0.589 424 HD13 LEU 57 HD13 LEU 57 17.079 10.154 -0.367 425 HD21 LEU 57 HD21 LEU 57 15.696 12.174 -0.379 426 HD22 LEU 57 HD22 LEU 57 13.941 12.055 -0.502 427 HD23 LEU 57 HD23 LEU 57 14.945 11.782 -1.926 428 H THR 58 HN THR 58 12.607 7.233 -0.946 429 HA THR 58 HA THR 58 10.847 6.821 -3.121 430 HB THR 58 HB THR 58 11.078 4.366 -2.298 431 HG1 THR 58 HG1 THR 58 13.387 4.937 -1.004 432 HG21 THR 58 HG21 THR 58 13.520 5.956 -3.089 433 HG22 THR 58 HG22 THR 58 12.305 5.310 -4.193 434 HG23 THR 58 HG23 THR 58 13.318 4.211 -3.258 435 H ALA 59 HN ALA 59 10.521 6.359 0.374 436 HA ALA 59 HA ALA 59 8.015 5.198 0.441 437 HB1 ALA 59 HB1 ALA 59 9.499 5.543 2.412 438 HB2 ALA 59 HB2 ALA 59 7.833 6.044 2.703 439 HB3 ALA 59 HB3 ALA 59 9.078 7.255 2.387 440 H LEU 60 HN LEU 60 9.015 8.477 -0.060 441 HA LEU 60 HA LEU 60 6.530 9.735 0.323 442 HB2 LEU 60 HB2 LEU 60 9.029 10.534 -1.146 443 HB3 LEU 60 HB1 LEU 60 7.633 11.587 -1.027 444 HG LEU 60 HG LEU 60 9.408 12.136 0.622 445 HD11 LEU 60 HD11 LEU 60 7.097 12.716 1.088 446 HD12 LEU 60 HD12 LEU 60 7.962 12.282 2.563 447 HD13 LEU 60 HD13 LEU 60 6.848 11.133 1.825 448 HD21 LEU 60 HD21 LEU 60 10.246 9.897 1.072 449 HD22 LEU 60 HD22 LEU 60 8.701 9.462 1.807 450 HD23 LEU 60 HD23 LEU 60 9.723 10.686 2.560 451 H GLU 61 HN GLU 61 8.228 8.674 -2.645 452 HA GLU 61 HA GLU 61 5.996 9.421 -4.280 453 HB2 GLU 61 HB2 GLU 61 7.164 7.947 -6.017 454 HB3 GLU 61 HB1 GLU 61 7.991 9.406 -5.483 455 HG2 GLU 61 HG2 GLU 61 9.413 8.095 -4.038 456 HG3 GLU 61 HG1 GLU 61 8.541 6.629 -4.475 457 H LEU 62 HN LEU 62 6.992 6.501 -2.627 458 HA LEU 62 HA LEU 62 5.053 4.770 -3.762 459 HB2 LEU 62 HB2 LEU 62 6.819 3.866 -2.399 460 HB3 LEU 62 HB1 LEU 62 6.283 4.802 -1.021 461 HG LEU 62 HG LEU 62 4.192 3.539 -0.950 462 HD11 LEU 62 HD11 LEU 62 5.390 2.030 -3.251 463 HD12 LEU 62 HD12 LEU 62 3.934 3.025 -3.273 464 HD13 LEU 62 HD13 LEU 62 3.968 1.525 -2.341 465 HD21 LEU 62 HD21 LEU 62 5.101 1.494 -0.125 466 HD22 LEU 62 HD22 LEU 62 6.195 2.819 0.286 467 HD23 LEU 62 HD23 LEU 62 6.585 1.734 -1.048 468 H ARG 63 HN ARG 63 5.040 6.829 -0.909 469 HA ARG 63 HA ARG 63 2.464 6.328 0.024 470 HB2 ARG 63 HB2 ARG 63 3.909 7.591 1.399 471 HB3 ARG 63 HB1 ARG 63 4.332 8.693 0.097 472 HG2 ARG 63 HG2 ARG 63 1.815 9.353 0.194 473 HG3 ARG 63 HG1 ARG 63 1.897 8.651 1.813 474 HD2 ARG 63 HD2 ARG 63 2.316 11.066 1.841 475 HD3 ARG 63 HD1 ARG 63 3.711 10.146 2.398 476 HE ARG 63 HE ARG 63 4.348 10.475 -0.155 477 HH11 ARG 63 HH11 ARG 63 3.068 12.769 2.151 478 HH12 ARG 63 HH12 ARG 63 3.824 14.139 1.402 479 HH21 ARG 63 HH21 ARG 63 5.310 12.285 -1.168 480 HH22 ARG 63 HH22 ARG 63 5.104 13.861 -0.473 481 H ASP 64 HN ASP 64 3.774 8.679 -2.251 482 HA ASP 64 HA ASP 64 1.478 9.941 -3.112 483 HB2 ASP 64 HB2 ASP 64 3.897 10.439 -3.709 484 HB3 ASP 64 HB1 ASP 64 3.752 9.166 -4.911 485 H HIS 65 HN HIS 65 2.963 6.936 -4.205 486 HA HIS 65 HA HIS 65 1.228 6.369 -6.328 487 HB2 HIS 65 HB2 HIS 65 2.835 4.571 -4.553 488 HB3 HIS 65 HB1 HIS 65 1.954 4.002 -5.946 489 HD1 HIS 65 HD1 HIS 65 2.909 6.627 -7.699 490 HD2 HIS 65 HD2 HIS 65 5.214 3.863 -5.662 491 HE1 HIS 65 HE1 HIS 65 5.206 6.733 -8.746 492 HE2 HIS 65 HE2 HIS 65 6.603 5.141 -7.421 493 H LEU 66 HN LEU 66 1.060 5.516 -2.864 494 HA LEU 66 HA LEU 66 -1.124 3.737 -3.166 495 HB2 LEU 66 HB2 LEU 66 0.124 5.181 -0.880 496 HB3 LEU 66 HB1 LEU 66 -1.403 4.365 -0.642 497 HG LEU 66 HG LEU 66 -0.476 2.255 -0.847 498 HD11 LEU 66 HD11 LEU 66 0.591 2.581 -3.015 499 HD12 LEU 66 HD12 LEU 66 1.667 1.758 -1.888 500 HD13 LEU 66 HD13 LEU 66 1.900 3.470 -2.241 501 HD21 LEU 66 HD21 LEU 66 1.717 4.000 0.233 502 HD22 LEU 66 HD22 LEU 66 1.603 2.254 0.461 503 HD23 LEU 66 HD23 LEU 66 0.369 3.315 1.138 504 H GLN 67 HN GLN 67 -0.904 7.151 -2.381 505 HA GLN 67 HA GLN 67 -3.698 7.505 -1.875 506 HB2 GLN 67 HB2 GLN 67 -1.858 9.677 -2.806 507 HB3 GLN 67 HB1 GLN 67 -3.227 9.796 -1.711 508 HG2 GLN 67 HG2 GLN 67 -2.061 8.870 0.050 509 HG3 GLN 67 HG1 GLN 67 -0.873 8.136 -1.037 510 HE21 GLN 67 HE21 GLN 67 -0.352 10.394 -2.605 511 HE22 GLN 67 HE22 GLN 67 0.538 11.508 -1.646 512 H THR 68 HN THR 68 -1.612 7.757 -4.665 513 HA THR 68 HA THR 68 -3.490 8.774 -6.471 514 HB THR 68 HB THR 68 -0.906 7.298 -6.553 515 HG1 THR 68 HG1 THR 68 -0.273 9.289 -6.571 516 HG21 THR 68 HG21 THR 68 -2.501 8.012 -9.013 517 HG22 THR 68 HG22 THR 68 -2.147 6.382 -8.435 518 HG23 THR 68 HG23 THR 68 -0.838 7.422 -8.990 519 H ALA 69 HN ALA 69 -2.323 5.582 -5.736 520 HA ALA 69 HA ALA 69 -3.932 4.063 -7.391 521 HB1 ALA 69 HB1 ALA 69 -2.696 3.391 -4.749 522 HB2 ALA 69 HB2 ALA 69 -1.952 3.219 -6.338 523 HB3 ALA 69 HB3 ALA 69 -3.336 2.212 -5.896 524 H THR 70 HN THR 70 -4.449 4.942 -3.974 525 HA THR 70 HA THR 70 -6.955 3.469 -3.973 526 HB THR 70 HB THR 70 -7.052 3.976 -1.582 527 HG1 THR 70 HG1 THR 70 -4.562 5.316 -1.825 528 HG21 THR 70 HG21 THR 70 -5.039 2.819 -0.878 529 HG22 THR 70 HG22 THR 70 -4.266 3.186 -2.419 530 HG23 THR 70 HG23 THR 70 -5.653 2.094 -2.364 531 H GLY 71 HN GLY 71 -5.764 6.716 -3.920 532 HA2 GLY 71 HA2 GLY 71 -6.901 8.660 -4.517 533 HA3 GLY 71 HA1 GLY 71 -8.415 7.765 -4.476 534 H LEU 72 HN LEU 72 -6.475 7.201 -1.813 535 HA LEU 72 HA LEU 72 -8.175 8.866 -0.105 536 HB2 LEU 72 HB2 LEU 72 -6.497 6.409 0.339 537 HB3 LEU 72 HB1 LEU 72 -7.027 7.383 1.689 538 HG LEU 72 HG LEU 72 -8.428 5.381 1.305 539 HD11 LEU 72 HD11 LEU 72 -10.570 6.464 1.523 540 HD12 LEU 72 HD12 LEU 72 -9.909 7.965 0.869 541 HD13 LEU 72 HD13 LEU 72 -9.345 7.356 2.424 542 HD21 LEU 72 HD21 LEU 72 -9.967 5.287 -0.562 543 HD22 LEU 72 HD22 LEU 72 -8.297 5.286 -1.127 544 HD23 LEU 72 HD23 LEU 72 -9.261 6.756 -1.235 545 H ASN 73 HN ASN 73 -6.529 9.024 2.108 546 HA ASN 73 HA ASN 73 -4.309 10.680 1.130 547 HB2 ASN 73 HB2 ASN 73 -6.306 12.026 1.863 548 HB3 ASN 73 HB1 ASN 73 -6.084 11.365 3.479 549 HD21 ASN 73 HD21 ASN 73 -4.387 12.061 4.742 550 HD22 ASN 73 HD22 ASN 73 -3.414 13.433 4.327 551 H LEU 74 HN LEU 74 -2.580 9.529 1.703 552 HA LEU 74 HA LEU 74 -2.616 8.098 4.219 553 HB2 LEU 74 HB2 LEU 74 -0.916 7.830 1.763 554 HB3 LEU 74 HB1 LEU 74 -0.571 6.974 3.262 555 HG LEU 74 HG LEU 74 -3.049 6.147 3.008 556 HD11 LEU 74 HD11 LEU 74 -2.338 6.653 0.119 557 HD12 LEU 74 HD12 LEU 74 -3.520 7.589 1.036 558 HD13 LEU 74 HD13 LEU 74 -3.799 5.873 0.742 559 HD21 LEU 74 HD21 LEU 74 -1.302 4.606 3.063 560 HD22 LEU 74 HD22 LEU 74 -0.637 5.174 1.531 561 HD23 LEU 74 HD23 LEU 74 -2.155 4.280 1.555 562 H SER 75 HN SER 75 0.380 7.939 4.299 563 HA SER 75 HA SER 75 0.683 10.523 5.678 564 HB2 SER 75 HB2 SER 75 1.595 7.861 6.730 565 HB3 SER 75 HB1 SER 75 1.592 9.394 7.588 566 HG SER 75 HG SER 75 -0.714 9.364 7.418 567 H SER 76 HN SER 76 2.942 11.083 6.226 568 HA SER 76 HA SER 76 4.640 10.763 3.962 569 HB2 SER 76 HB2 SER 76 5.347 11.936 6.656 570 HB3 SER 76 HB1 SER 76 6.135 12.260 5.111 571 HG SER 76 HG SER 76 4.762 13.921 5.303 572 H THR 77 HN THR 77 4.641 9.480 7.244 573 HA THR 77 HA THR 77 6.888 7.707 6.537 574 HB THR 77 HB THR 77 6.853 7.256 9.084 575 HG1 THR 77 HG1 THR 77 5.733 9.851 9.233 576 HG21 THR 77 HG21 THR 77 8.247 9.266 9.493 577 HG22 THR 77 HG22 THR 77 7.697 9.918 7.948 578 HG23 THR 77 HG23 THR 77 8.651 8.437 7.990 579 H LEU 78 HN LEU 78 4.287 7.485 5.630 580 HA LEU 78 HA LEU 78 2.418 5.931 6.820 581 HB2 LEU 78 HB2 LEU 78 2.368 7.063 4.617 582 HB3 LEU 78 HB1 LEU 78 3.392 5.807 3.980 583 HG LEU 78 HG LEU 78 0.770 5.865 3.639 584 HD11 LEU 78 HD11 LEU 78 2.547 3.476 3.919 585 HD12 LEU 78 HD12 LEU 78 2.123 4.374 2.447 586 HD13 LEU 78 HD13 LEU 78 0.906 3.395 3.278 587 HD21 LEU 78 HD21 LEU 78 1.208 4.548 6.275 588 HD22 LEU 78 HD22 LEU 78 -0.090 4.004 5.207 589 HD23 LEU 78 HD23 LEU 78 -0.057 5.675 5.771 590 H ILE 79 HN ILE 79 4.944 4.632 4.693 591 HA ILE 79 HA ILE 79 4.398 1.913 5.445 592 HB ILE 79 HB ILE 79 6.213 1.356 3.938 593 HG12 ILE 79 HG12 ILE 79 6.770 4.307 4.031 594 HG13 ILE 79 HG11 ILE 79 7.874 2.980 4.379 595 HG21 ILE 79 HG21 ILE 79 4.492 3.580 2.871 596 HG22 ILE 79 HG22 ILE 79 4.074 1.865 2.930 597 HG23 ILE 79 HG23 ILE 79 5.395 2.419 1.899 598 HD11 ILE 79 HD11 ILE 79 6.826 3.908 1.739 599 HD12 ILE 79 HD12 ILE 79 7.595 2.328 1.948 600 HD13 ILE 79 HD13 ILE 79 8.501 3.802 2.286 601 H PHE 80 HN PHE 80 5.846 4.142 7.234 602 HA PHE 80 HA PHE 80 7.715 2.190 8.378 603 HB2 PHE 80 HB2 PHE 80 7.820 5.213 8.485 604 HB3 PHE 80 HB1 PHE 80 8.925 4.141 9.341 605 HD1 PHE 80 HD1 PHE 80 9.082 6.292 6.882 606 HD2 PHE 80 HD2 PHE 80 9.478 2.080 7.349 607 HE1 PHE 80 HE1 PHE 80 10.551 6.228 4.913 608 HE2 PHE 80 HE2 PHE 80 10.942 1.998 5.376 609 HZ PHE 80 HZ PHE 80 11.397 4.016 4.094 610 H ASP 81 HN ASP 81 4.918 4.013 8.693 611 HA ASP 81 HA ASP 81 4.601 3.678 11.536 612 HB2 ASP 81 HB2 ASP 81 3.377 5.282 9.627 613 HB3 ASP 81 HB1 ASP 81 2.195 4.019 9.918 614 H HIS 82 HN HIS 82 3.642 2.294 8.524 615 HA HIS 82 HA HIS 82 2.668 -0.126 9.853 616 HB2 HIS 82 HB2 HIS 82 1.839 0.893 7.128 617 HB3 HIS 82 HB1 HIS 82 1.091 -0.389 8.066 618 HD1 HIS 82 HD1 HIS 82 -0.260 0.374 10.225 619 HD2 HIS 82 HD2 HIS 82 0.989 3.441 7.707 620 HE1 HIS 82 HE1 HIS 82 -1.504 2.422 10.986 621 HE2 HIS 82 HE2 HIS 82 -0.575 4.300 9.585 622 HA PRO 83 HA PRO 83 6.646 -1.057 8.403 623 HB2 PRO 83 HB2 PRO 83 6.629 -3.751 8.972 624 HB3 PRO 83 HB1 PRO 83 6.882 -2.479 10.172 625 HG2 PRO 83 HG2 PRO 83 4.364 -3.958 9.485 626 HG3 PRO 83 HG1 PRO 83 5.016 -3.529 11.081 627 HD2 PRO 83 HD2 PRO 83 3.046 -2.103 9.967 628 HD3 PRO 83 HD1 PRO 83 4.328 -1.319 10.899 629 H THR 84 HN THR 84 4.050 -3.219 7.303 630 HA THR 84 HA THR 84 5.721 -3.855 4.988 631 HB THR 84 HB THR 84 4.642 -6.051 4.951 632 HG1 THR 84 HG1 THR 84 3.583 -6.314 7.303 633 HG21 THR 84 HG21 THR 84 5.695 -6.993 6.962 634 HG22 THR 84 HG22 THR 84 5.847 -5.369 7.638 635 HG23 THR 84 HG23 THR 84 6.743 -5.806 6.183 636 HA PRO 85 HA PRO 85 2.418 -2.626 2.275 637 HB2 PRO 85 HB2 PRO 85 2.733 -5.279 0.981 638 HB3 PRO 85 HB1 PRO 85 2.837 -3.672 0.260 639 HG2 PRO 85 HG2 PRO 85 5.016 -5.180 0.673 640 HG3 PRO 85 HG1 PRO 85 5.050 -3.414 0.822 641 HD2 PRO 85 HD2 PRO 85 5.049 -5.489 2.947 642 HD3 PRO 85 HD1 PRO 85 5.814 -3.894 2.929 643 H HIS 86 HN HIS 86 2.554 -5.480 4.055 644 HA HIS 86 HA HIS 86 -0.170 -6.320 3.691 645 HB2 HIS 86 HB2 HIS 86 1.172 -8.072 4.348 646 HB3 HIS 86 HB1 HIS 86 2.165 -7.073 5.379 647 HD1 HIS 86 HD1 HIS 86 -0.554 -9.501 5.477 648 HD2 HIS 86 HD2 HIS 86 0.889 -6.449 7.915 649 HE1 HIS 86 HE1 HIS 86 -1.451 -9.994 7.773 650 HE2 HIS 86 HE2 HIS 86 -0.406 -8.250 9.269 651 H ALA 87 HN ALA 87 1.700 -4.565 6.097 652 HA ALA 87 HA ALA 87 -0.499 -4.071 7.861 653 HB1 ALA 87 HB1 ALA 87 1.057 -2.652 9.072 654 HB2 ALA 87 HB2 ALA 87 2.178 -2.685 7.710 655 HB3 ALA 87 HB3 ALA 87 1.856 -4.161 8.627 656 H VAL 88 HN VAL 88 0.813 -2.657 5.094 657 HA VAL 88 HA VAL 88 -0.348 -0.042 5.536 658 HB VAL 88 HB VAL 88 1.135 -1.254 3.228 659 HG11 VAL 88 HG11 VAL 88 1.178 1.012 2.262 660 HG12 VAL 88 HG12 VAL 88 0.042 1.527 3.510 661 HG13 VAL 88 HG13 VAL 88 -0.437 0.307 2.330 662 HG21 VAL 88 HG21 VAL 88 2.885 0.354 3.850 663 HG22 VAL 88 HG22 VAL 88 2.528 -0.796 5.141 664 HG23 VAL 88 HG23 VAL 88 1.906 0.858 5.229 665 H ALA 89 HN ALA 89 -0.844 -2.820 3.419 666 HA ALA 89 HA ALA 89 -2.981 -1.749 1.973 667 HB1 ALA 89 HB1 ALA 89 -2.309 -4.602 2.647 668 HB2 ALA 89 HB2 ALA 89 -1.974 -3.725 1.150 669 HB3 ALA 89 HB3 ALA 89 -3.631 -4.139 1.579 670 H GLU 90 HN GLU 90 -2.952 -3.520 5.102 671 HA GLU 90 HA GLU 90 -5.814 -3.462 5.268 672 HB2 GLU 90 HB2 GLU 90 -5.424 -4.048 7.676 673 HB3 GLU 90 HB1 GLU 90 -4.692 -5.151 6.518 674 HG2 GLU 90 HG2 GLU 90 -2.542 -4.165 6.863 675 HG3 GLU 90 HG1 GLU 90 -3.227 -2.938 7.924 676 H HIS 91 HN HIS 91 -3.211 -1.359 6.159 677 HA HIS 91 HA HIS 91 -4.658 0.484 7.684 678 HB2 HIS 91 HB2 HIS 91 -2.310 0.671 7.780 679 HB3 HIS 91 HB1 HIS 91 -2.156 0.699 6.023 680 HD1 HIS 91 HD1 HIS 91 -3.385 2.899 8.869 681 HD2 HIS 91 HD2 HIS 91 -2.140 3.157 4.920 682 HE1 HIS 91 HE1 HIS 91 -3.241 5.356 8.373 683 HE2 HIS 91 HE2 HIS 91 -2.701 5.490 5.925 684 H LEU 92 HN LEU 92 -4.511 -0.149 4.295 685 HA LEU 92 HA LEU 92 -5.648 2.340 3.497 686 HB2 LEU 92 HB2 LEU 92 -4.899 -0.203 2.161 687 HB3 LEU 92 HB1 LEU 92 -6.125 0.787 1.377 688 HG LEU 92 HG LEU 92 -4.656 2.542 0.978 689 HD11 LEU 92 HD11 LEU 92 -3.056 1.440 3.253 690 HD12 LEU 92 HD12 LEU 92 -3.720 3.066 3.041 691 HD13 LEU 92 HD13 LEU 92 -2.336 2.541 2.083 692 HD21 LEU 92 HD21 LEU 92 -2.905 0.101 0.888 693 HD22 LEU 92 HD22 LEU 92 -2.660 1.595 -0.014 694 HD23 LEU 92 HD23 LEU 92 -4.063 0.581 -0.352 695 H LEU 93 HN LEU 93 -6.859 -0.449 4.899 696 HA LEU 93 HA LEU 93 -9.558 -0.280 3.888 697 HB2 LEU 93 HB2 LEU 93 -8.359 -1.715 6.235 698 HB3 LEU 93 HB1 LEU 93 -10.082 -1.710 5.925 699 HG LEU 93 HG LEU 93 -9.880 -3.102 4.070 700 HD11 LEU 93 HD11 LEU 93 -8.179 -1.911 2.842 701 HD12 LEU 93 HD12 LEU 93 -7.722 -3.612 2.973 702 HD13 LEU 93 HD13 LEU 93 -6.946 -2.403 4.005 703 HD21 LEU 93 HD21 LEU 93 -7.651 -3.908 5.927 704 HD22 LEU 93 HD22 LEU 93 -8.525 -4.971 4.818 705 HD23 LEU 93 HD23 LEU 93 -9.367 -4.229 6.178 706 H GLU 94 HN GLU 94 -7.664 0.898 6.476 707 HA GLU 94 HA GLU 94 -9.596 1.875 8.237 708 HB2 GLU 94 HB2 GLU 94 -6.809 2.763 7.536 709 HB3 GLU 94 HB1 GLU 94 -7.706 3.424 8.909 710 HG2 GLU 94 HG2 GLU 94 -6.925 0.541 8.507 711 HG3 GLU 94 HG1 GLU 94 -6.130 1.685 9.584 712 H GLN 95 HN GLN 95 -8.401 3.039 5.202 713 HA GLN 95 HA GLN 95 -9.400 5.719 5.491 714 HB2 GLN 95 HB2 GLN 95 -8.534 4.394 2.941 715 HB3 GLN 95 HB1 GLN 95 -8.344 6.074 3.424 716 HG2 GLN 95 HG2 GLN 95 -6.910 3.789 4.741 717 HG3 GLN 95 HG1 GLN 95 -6.246 4.719 3.408 718 HE21 GLN 95 HE21 GLN 95 -5.409 4.345 6.182 719 HE22 GLN 95 HE22 GLN 95 -5.252 5.936 6.850 720 H ILE 96 HN ILE 96 -10.576 2.686 4.492 721 HA ILE 96 HA ILE 96 -12.259 3.505 2.357 722 HB ILE 96 HB ILE 96 -12.142 0.946 3.926 723 HG12 ILE 96 HG12 ILE 96 -10.037 1.706 2.919 724 HG13 ILE 96 HG11 ILE 96 -10.617 0.217 2.212 725 HG21 ILE 96 HG21 ILE 96 -13.209 -0.145 2.115 726 HG22 ILE 96 HG22 ILE 96 -13.168 1.317 1.135 727 HG23 ILE 96 HG23 ILE 96 -14.212 1.236 2.556 728 HD11 ILE 96 HD11 ILE 96 -11.002 2.942 1.004 729 HD12 ILE 96 HD12 ILE 96 -11.376 1.388 0.257 730 HD13 ILE 96 HD13 ILE 96 -9.697 1.833 0.576 731 HA PRO 97 HA PRO 97 -15.755 4.901 4.523 732 HB2 PRO 97 HB2 PRO 97 -17.523 4.919 2.533 733 HB3 PRO 97 HB1 PRO 97 -16.080 5.944 2.488 734 HG2 PRO 97 HG2 PRO 97 -16.505 3.262 1.220 735 HG3 PRO 97 HG1 PRO 97 -15.899 4.746 0.476 736 HD2 PRO 97 HD2 PRO 97 -14.255 2.814 1.351 737 HD3 PRO 97 HD1 PRO 97 -13.827 4.520 1.435 738 H GLY 98 HN GLY 98 -15.953 2.942 5.932 739 HA2 GLY 98 HA2 GLY 98 -17.600 1.725 7.027 740 HA3 GLY 98 HA1 GLY 98 -18.654 1.962 5.644 741 H ILE 99 HN ILE 99 -17.615 0.775 3.608 742 HA ILE 99 HA ILE 99 -17.940 -1.964 3.925 743 HB ILE 99 HB ILE 99 -16.442 -1.962 1.714 744 HG12 ILE 99 HG12 ILE 99 -17.542 0.788 1.470 745 HG13 ILE 99 HG11 ILE 99 -16.069 0.600 2.413 746 HG21 ILE 99 HG21 ILE 99 -18.793 -2.550 1.807 747 HG22 ILE 99 HG22 ILE 99 -18.484 -1.484 0.438 748 HG23 ILE 99 HG23 ILE 99 -19.237 -0.846 1.900 749 HD11 ILE 99 HD11 ILE 99 -15.501 1.171 0.174 750 HD12 ILE 99 HD12 ILE 99 -16.481 -0.157 -0.466 751 HD13 ILE 99 HD13 ILE 99 -15.023 -0.506 0.473 752 H GLY 100 HN GLY 100 -15.078 -0.015 4.256 753 HA2 GLY 100 HA2 GLY 100 -13.505 -2.440 4.800 754 HA3 GLY 100 HA1 GLY 100 -12.831 -0.979 4.080 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 -8.983 15.192 -6.293 2 H2 GLY 1 HT2 GLY 1 -7.584 16.126 -6.120 3 H3 GLY 1 HT3 GLY 1 -8.915 16.405 -5.120 4 HA2 GLY 1 HA1 GLY 1 -7.275 13.939 -5.152 5 HA3 GLY 1 HA2 GLY 1 -7.178 15.208 -3.942 6 H SER 2 HN SER 2 -7.628 12.794 -2.979 7 HA SER 2 HA SER 2 -8.981 11.576 -1.637 8 HB2 SER 2 HB2 SER 2 -10.739 14.041 -1.688 9 HB3 SER 2 HB1 SER 2 -10.835 12.730 -0.515 10 HG SER 2 HG SER 2 -8.311 13.600 -0.618 11 H THR 3 HN THR 3 -9.209 11.090 -4.346 12 HA THR 3 HA THR 3 -11.782 10.935 -5.396 13 HB THR 3 HB THR 3 -9.364 9.176 -5.756 14 HG1 THR 3 HG1 THR 3 -8.905 10.567 -7.265 15 HG21 THR 3 HG21 THR 3 -11.291 7.777 -6.172 16 HG22 THR 3 HG22 THR 3 -10.501 8.182 -7.702 17 HG23 THR 3 HG23 THR 3 -11.989 9.007 -7.235 18 H ALA 4 HN ALA 4 -10.000 8.249 -3.927 19 HA ALA 4 HA ALA 4 -10.578 6.435 -2.758 20 HB1 ALA 4 HB1 ALA 4 -11.646 8.048 -1.223 21 HB2 ALA 4 HB2 ALA 4 -12.454 6.480 -1.248 22 HB3 ALA 4 HB3 ALA 4 -13.156 7.847 -2.112 23 H THR 5 HN THR 5 -13.588 7.504 -4.347 24 HA THR 5 HA THR 5 -14.880 5.154 -4.727 25 HB THR 5 HB THR 5 -14.680 7.166 -6.952 26 HG1 THR 5 HG1 THR 5 -16.455 8.192 -5.657 27 HG21 THR 5 HG21 THR 5 -16.960 5.494 -5.884 28 HG22 THR 5 HG22 THR 5 -16.067 5.194 -7.374 29 HG23 THR 5 HG23 THR 5 -17.065 6.640 -7.220 30 H LEU 6 HN LEU 6 -12.043 6.161 -6.472 31 HA LEU 6 HA LEU 6 -12.022 4.353 -8.570 32 HB2 LEU 6 HB2 LEU 6 -10.370 6.043 -8.508 33 HB3 LEU 6 HB1 LEU 6 -9.848 5.577 -6.902 34 HG LEU 6 HG LEU 6 -8.864 3.522 -7.796 35 HD11 LEU 6 HD11 LEU 6 -8.673 3.234 -10.236 36 HD12 LEU 6 HD12 LEU 6 -9.762 4.602 -10.469 37 HD13 LEU 6 HD13 LEU 6 -10.342 3.138 -9.674 38 HD21 LEU 6 HD21 LEU 6 -7.982 6.001 -9.278 39 HD22 LEU 6 HD22 LEU 6 -7.007 4.562 -8.971 40 HD23 LEU 6 HD23 LEU 6 -7.534 5.575 -7.626 41 H LEU 7 HN LEU 7 -10.303 3.948 -5.474 42 HA LEU 7 HA LEU 7 -10.042 1.120 -5.961 43 HB2 LEU 7 HB2 LEU 7 -8.665 3.033 -4.441 44 HB3 LEU 7 HB1 LEU 7 -9.359 1.910 -3.283 45 HG LEU 7 HG LEU 7 -7.072 1.268 -3.958 46 HD11 LEU 7 HD11 LEU 7 -9.166 -0.686 -4.896 47 HD12 LEU 7 HD12 LEU 7 -8.834 -0.329 -3.202 48 HD13 LEU 7 HD13 LEU 7 -7.577 -1.055 -4.211 49 HD21 LEU 7 HD21 LEU 7 -8.293 0.658 -6.646 50 HD22 LEU 7 HD22 LEU 7 -6.606 0.485 -6.164 51 HD23 LEU 7 HD23 LEU 7 -7.320 2.092 -6.323 52 H THR 8 HN THR 8 -11.940 3.241 -3.992 53 HA THR 8 HA THR 8 -12.982 1.510 -2.094 54 HB THR 8 HB THR 8 -14.091 3.927 -3.456 55 HG1 THR 8 HG1 THR 8 -13.724 4.782 -1.314 56 HG21 THR 8 HG21 THR 8 -16.022 2.549 -2.819 57 HG22 THR 8 HG22 THR 8 -15.910 4.006 -1.831 58 HG23 THR 8 HG23 THR 8 -15.400 2.454 -1.174 59 H SER 9 HN SER 9 -13.950 2.016 -5.435 60 HA SER 9 HA SER 9 -16.290 0.426 -5.368 61 HB2 SER 9 HB2 SER 9 -14.486 1.412 -7.566 62 HB3 SER 9 HB1 SER 9 -15.903 0.407 -7.910 63 HG SER 9 HG SER 9 -15.722 3.051 -7.253 64 H LYS 10 HN LYS 10 -12.928 -0.328 -5.519 65 HA LYS 10 HA LYS 10 -13.183 -3.013 -6.443 66 HB2 LYS 10 HB2 LYS 10 -11.043 -1.625 -6.442 67 HB3 LYS 10 HB1 LYS 10 -10.998 -1.876 -4.697 68 HG2 LYS 10 HG2 LYS 10 -9.556 -3.481 -5.552 69 HG3 LYS 10 HG1 LYS 10 -11.044 -4.362 -5.218 70 HD2 LYS 10 HD2 LYS 10 -10.475 -3.229 -7.931 71 HD3 LYS 10 HD1 LYS 10 -9.840 -4.807 -7.453 72 HE2 LYS 10 HE2 LYS 10 -12.311 -5.316 -6.825 73 HE3 LYS 10 HE1 LYS 10 -12.677 -3.934 -7.854 74 HZ1 LYS 10 HZ1 LYS 10 -12.801 -5.968 -9.108 75 HZ2 LYS 10 HZ2 LYS 10 -11.213 -6.367 -8.696 76 HZ3 LYS 10 HZ3 LYS 10 -11.517 -5.025 -9.674 77 H LEU 11 HN LEU 11 -12.542 -1.578 -3.280 78 HA LEU 11 HA LEU 11 -12.545 -3.969 -1.832 79 HB2 LEU 11 HB2 LEU 11 -13.263 -1.220 -0.834 80 HB3 LEU 11 HB1 LEU 11 -12.878 -2.592 0.176 81 HG LEU 11 HG LEU 11 -10.864 -1.531 0.210 82 HD11 LEU 11 HD11 LEU 11 -10.571 -3.766 -0.799 83 HD12 LEU 11 HD12 LEU 11 -9.315 -2.616 -1.270 84 HD13 LEU 11 HD13 LEU 11 -10.620 -3.012 -2.398 85 HD21 LEU 11 HD21 LEU 11 -11.739 0.262 -1.361 86 HD22 LEU 11 HD22 LEU 11 -11.061 -0.710 -2.673 87 HD23 LEU 11 HD23 LEU 11 -10.008 -0.066 -1.409 88 H ALA 12 HN ALA 12 -15.139 -2.009 -2.951 89 HA ALA 12 HA ALA 12 -17.246 -2.881 -1.361 90 HB1 ALA 12 HB1 ALA 12 -17.439 -1.076 -2.987 91 HB2 ALA 12 HB2 ALA 12 -18.675 -2.303 -3.269 92 HB3 ALA 12 HB3 ALA 12 -17.248 -2.231 -4.307 93 H GLY 13 HN GLY 13 -15.512 -4.494 -3.914 94 HA2 GLY 13 HA2 GLY 13 -17.452 -6.660 -4.097 95 HA3 GLY 13 HA1 GLY 13 -15.993 -6.474 -5.058 96 H LEU 14 HN LEU 14 -14.833 -5.925 -2.122 97 HA LEU 14 HA LEU 14 -14.151 -8.739 -1.692 98 HB2 LEU 14 HB2 LEU 14 -12.775 -6.211 -0.898 99 HB3 LEU 14 HB1 LEU 14 -12.297 -7.758 -0.305 100 HG LEU 14 HG LEU 14 -10.822 -7.645 -1.969 101 HD11 LEU 14 HD11 LEU 14 -12.281 -9.491 -2.569 102 HD12 LEU 14 HD12 LEU 14 -11.562 -8.737 -3.998 103 HD13 LEU 14 HD13 LEU 14 -13.244 -8.403 -3.575 104 HD21 LEU 14 HD21 LEU 14 -12.742 -5.836 -3.394 105 HD22 LEU 14 HD22 LEU 14 -11.140 -6.273 -3.989 106 HD23 LEU 14 HD23 LEU 14 -11.309 -5.372 -2.477 107 H THR 15 HN THR 15 -13.642 -9.294 0.503 108 HA THR 15 HA THR 15 -15.310 -7.997 2.524 109 HB THR 15 HB THR 15 -14.850 -9.948 3.884 110 HG1 THR 15 HG1 THR 15 -13.429 -11.623 2.779 111 HG21 THR 15 HG21 THR 15 -16.558 -10.287 2.188 112 HG22 THR 15 HG22 THR 15 -15.637 -11.776 2.407 113 HG23 THR 15 HG23 THR 15 -15.325 -10.740 1.008 114 H ALA 16 HN ALA 16 -14.075 -7.578 4.649 115 HA ALA 16 HA ALA 16 -12.053 -5.775 4.308 116 HB1 ALA 16 HB1 ALA 16 -11.495 -6.079 6.666 117 HB2 ALA 16 HB2 ALA 16 -12.375 -7.607 6.690 118 HB3 ALA 16 HB3 ALA 16 -13.242 -6.094 6.427 119 H THR 17 HN THR 17 -11.700 -9.260 4.746 120 HA THR 17 HA THR 17 -8.898 -9.341 4.908 121 HB THR 17 HB THR 17 -10.763 -11.483 3.877 122 HG1 THR 17 HG1 THR 17 -11.465 -11.478 5.869 123 HG21 THR 17 HG21 THR 17 -9.025 -13.023 4.635 124 HG22 THR 17 HG22 THR 17 -8.022 -11.658 5.126 125 HG23 THR 17 HG23 THR 17 -8.397 -11.907 3.421 126 H GLU 18 HN GLU 18 -11.076 -9.767 2.098 127 HA GLU 18 HA GLU 18 -8.948 -10.207 0.299 128 HB2 GLU 18 HB2 GLU 18 -11.811 -9.427 -0.173 129 HB3 GLU 18 HB1 GLU 18 -10.692 -9.962 -1.403 130 HG2 GLU 18 HG2 GLU 18 -10.526 -12.126 -0.321 131 HG3 GLU 18 HG1 GLU 18 -11.616 -11.570 0.945 132 H GLN 19 HN GLN 19 -10.675 -7.428 1.465 133 HA GLN 19 HA GLN 19 -9.720 -5.511 -0.356 134 HB2 GLN 19 HB2 GLN 19 -10.382 -5.237 2.572 135 HB3 GLN 19 HB1 GLN 19 -10.216 -3.903 1.450 136 HG2 GLN 19 HG2 GLN 19 -12.089 -4.665 0.198 137 HG3 GLN 19 HG1 GLN 19 -12.207 -6.113 1.167 138 HE21 GLN 19 HE21 GLN 19 -14.245 -4.233 0.701 139 HE22 GLN 19 HE22 GLN 19 -14.683 -3.562 2.240 140 H ARG 20 HN ARG 20 -8.403 -6.828 2.648 141 HA ARG 20 HA ARG 20 -5.979 -5.396 2.713 142 HB2 ARG 20 HB2 ARG 20 -6.014 -8.342 3.310 143 HB3 ARG 20 HB1 ARG 20 -5.122 -7.064 4.122 144 HG2 ARG 20 HG2 ARG 20 -7.175 -6.263 5.119 145 HG3 ARG 20 HG1 ARG 20 -8.095 -7.519 4.279 146 HD2 ARG 20 HD2 ARG 20 -7.729 -8.252 6.518 147 HD3 ARG 20 HD1 ARG 20 -6.685 -9.199 5.467 148 HE ARG 20 HE ARG 20 -5.389 -6.903 6.611 149 HH11 ARG 20 HH11 ARG 20 -6.210 -10.268 7.061 150 HH12 ARG 20 HH12 ARG 20 -4.964 -10.555 8.231 151 HH21 ARG 20 HH21 ARG 20 -3.742 -7.269 8.205 152 HH22 ARG 20 HH22 ARG 20 -3.591 -8.860 8.891 153 H ALA 21 HN ALA 21 -6.909 -8.371 1.111 154 HA ALA 21 HA ALA 21 -4.398 -9.103 0.111 155 HB1 ALA 21 HB1 ALA 21 -7.088 -9.797 -1.041 156 HB2 ALA 21 HB2 ALA 21 -6.331 -10.613 0.326 157 HB3 ALA 21 HB3 ALA 21 -5.581 -10.684 -1.268 158 H VAL 22 HN VAL 22 -6.963 -7.207 -1.400 159 HA VAL 22 HA VAL 22 -5.806 -7.271 -3.980 160 HB VAL 22 HB VAL 22 -7.369 -5.366 -4.504 161 HG11 VAL 22 HG11 VAL 22 -7.942 -7.780 -4.736 162 HG12 VAL 22 HG12 VAL 22 -9.331 -6.737 -4.446 163 HG13 VAL 22 HG13 VAL 22 -8.671 -7.712 -3.130 164 HG21 VAL 22 HG21 VAL 22 -7.478 -4.317 -2.323 165 HG22 VAL 22 HG22 VAL 22 -8.174 -5.779 -1.622 166 HG23 VAL 22 HG23 VAL 22 -9.091 -4.843 -2.808 167 H THR 23 HN THR 23 -5.634 -4.747 -1.424 168 HA THR 23 HA THR 23 -3.682 -3.459 -3.145 169 HB THR 23 HB THR 23 -5.105 -1.895 -2.245 170 HG1 THR 23 HG1 THR 23 -2.697 -1.729 -0.780 171 HG21 THR 23 HG21 THR 23 -5.866 -3.189 -0.267 172 HG22 THR 23 HG22 THR 23 -5.517 -1.492 0.082 173 HG23 THR 23 HG23 THR 23 -4.356 -2.739 0.523 174 H ARG 24 HN ARG 24 -3.638 -5.716 -0.604 175 HA ARG 24 HA ARG 24 -0.936 -5.296 0.182 176 HB2 ARG 24 HB2 ARG 24 -2.323 -6.959 1.315 177 HB3 ARG 24 HB1 ARG 24 -2.522 -7.853 -0.181 178 HG2 ARG 24 HG2 ARG 24 0.121 -7.926 -0.044 179 HG3 ARG 24 HG1 ARG 24 -0.225 -7.746 1.678 180 HD2 ARG 24 HD2 ARG 24 -1.718 -9.682 1.569 181 HD3 ARG 24 HD1 ARG 24 -1.357 -9.854 -0.149 182 HE ARG 24 HE ARG 24 1.038 -9.900 1.333 183 HH11 ARG 24 HH11 ARG 24 -1.784 -11.865 0.705 184 HH12 ARG 24 HH12 ARG 24 -0.948 -13.365 0.956 185 HH21 ARG 24 HH21 ARG 24 2.145 -11.864 1.650 186 HH22 ARG 24 HH22 ARG 24 1.286 -13.366 1.478 187 H LYS 25 HN LYS 25 -2.496 -6.030 -2.659 188 HA LYS 25 HA LYS 25 -0.142 -7.005 -4.023 189 HB2 LYS 25 HB2 LYS 25 -1.965 -8.333 -4.559 190 HB3 LYS 25 HB1 LYS 25 -3.098 -7.004 -4.458 191 HG2 LYS 25 HG2 LYS 25 -2.933 -7.762 -6.716 192 HG3 LYS 25 HG1 LYS 25 -2.262 -6.141 -6.561 193 HD2 LYS 25 HD2 LYS 25 -0.013 -7.015 -6.620 194 HD3 LYS 25 HD1 LYS 25 -0.619 -8.672 -6.572 195 HE2 LYS 25 HE2 LYS 25 0.016 -8.154 -8.825 196 HE3 LYS 25 HE1 LYS 25 -1.740 -8.266 -8.744 197 HZ1 LYS 25 HZ1 LYS 25 -0.147 -5.766 -8.783 198 HZ2 LYS 25 HZ2 LYS 25 -1.832 -5.839 -8.638 199 HZ3 LYS 25 HZ3 LYS 25 -1.080 -6.377 -10.054 200 H LEU 26 HN LEU 26 -2.432 -4.264 -3.802 201 HA LEU 26 HA LEU 26 -1.304 -2.817 -5.967 202 HB2 LEU 26 HB2 LEU 26 -3.574 -2.421 -5.299 203 HB3 LEU 26 HB1 LEU 26 -3.062 -1.973 -3.689 204 HG LEU 26 HG LEU 26 -3.776 -0.125 -5.315 205 HD11 LEU 26 HD11 LEU 26 -2.696 0.056 -3.071 206 HD12 LEU 26 HD12 LEU 26 -2.439 1.420 -4.165 207 HD13 LEU 26 HD13 LEU 26 -1.159 0.231 -3.921 208 HD21 LEU 26 HD21 LEU 26 -2.405 -0.843 -7.204 209 HD22 LEU 26 HD22 LEU 26 -0.955 -0.519 -6.253 210 HD23 LEU 26 HD23 LEU 26 -2.035 0.807 -6.697 211 H VAL 27 HN VAL 27 -0.956 -2.330 -2.402 212 HA VAL 27 HA VAL 27 0.866 -0.226 -2.597 213 HB VAL 27 HB VAL 27 -0.063 -0.711 -0.421 214 HG11 VAL 27 HG11 VAL 27 -0.373 -3.049 -0.454 215 HG12 VAL 27 HG12 VAL 27 0.766 -2.719 0.852 216 HG13 VAL 27 HG13 VAL 27 1.344 -3.346 -0.694 217 HG21 VAL 27 HG21 VAL 27 2.149 0.339 -0.442 218 HG22 VAL 27 HG22 VAL 27 2.908 -1.257 -0.419 219 HG23 VAL 27 HG23 VAL 27 1.957 -0.709 0.964 220 H LEU 28 HN LEU 28 1.238 -3.625 -2.717 221 HA LEU 28 HA LEU 28 4.005 -3.911 -2.781 222 HB2 LEU 28 HB2 LEU 28 1.874 -5.557 -2.810 223 HB3 LEU 28 HB1 LEU 28 2.313 -5.630 -4.501 224 HG LEU 28 HG LEU 28 4.435 -6.588 -3.994 225 HD11 LEU 28 HD11 LEU 28 5.068 -7.006 -1.617 226 HD12 LEU 28 HD12 LEU 28 3.746 -5.929 -1.148 227 HD13 LEU 28 HD13 LEU 28 5.091 -5.314 -2.108 228 HD21 LEU 28 HD21 LEU 28 2.682 -8.202 -4.007 229 HD22 LEU 28 HD22 LEU 28 2.173 -7.750 -2.377 230 HD23 LEU 28 HD23 LEU 28 3.715 -8.581 -2.624 231 H ASP 29 HN ASP 29 1.650 -3.483 -5.338 232 HA ASP 29 HA ASP 29 3.406 -3.664 -7.544 233 HB2 ASP 29 HB2 ASP 29 0.904 -3.880 -7.614 234 HB3 ASP 29 HB1 ASP 29 0.806 -2.149 -7.359 235 H GLN 30 HN GLN 30 2.065 -0.970 -5.723 236 HA GLN 30 HA GLN 30 3.240 1.119 -7.130 237 HB2 GLN 30 HB2 GLN 30 2.620 0.948 -4.204 238 HB3 GLN 30 HB1 GLN 30 2.796 2.422 -5.140 239 HG2 GLN 30 HG2 GLN 30 0.622 0.358 -5.405 240 HG3 GLN 30 HG1 GLN 30 0.482 2.005 -4.801 241 HE21 GLN 30 HE21 GLN 30 0.858 0.003 -7.602 242 HE22 GLN 30 HE22 GLN 30 0.487 1.220 -8.776 243 H ALA 31 HN ALA 31 4.314 -0.620 -4.269 244 HA ALA 31 HA ALA 31 6.703 0.802 -3.800 245 HB1 ALA 31 HB1 ALA 31 7.321 -1.103 -2.427 246 HB2 ALA 31 HB2 ALA 31 6.082 -2.094 -3.207 247 HB3 ALA 31 HB3 ALA 31 5.613 -0.727 -2.188 248 H ALA 32 HN ALA 32 5.804 -1.735 -5.916 249 HA ALA 32 HA ALA 32 8.388 -2.573 -6.699 250 HB1 ALA 32 HB1 ALA 32 5.568 -2.890 -7.680 251 HB2 ALA 32 HB2 ALA 32 6.744 -4.121 -7.172 252 HB3 ALA 32 HB3 ALA 32 6.907 -3.347 -8.747 253 H SER 33 HN SER 33 6.002 -0.299 -7.969 254 HA SER 33 HA SER 33 7.390 0.466 -10.288 255 HB2 SER 33 HB2 SER 33 5.069 1.016 -10.045 256 HB3 SER 33 HB1 SER 33 5.370 1.877 -8.537 257 HG SER 33 HG SER 33 6.560 2.684 -10.978 258 H VAL 34 HN VAL 34 7.497 1.577 -6.967 259 HA VAL 34 HA VAL 34 9.147 3.819 -7.276 260 HB VAL 34 HB VAL 34 9.161 1.951 -4.920 261 HG11 VAL 34 HG11 VAL 34 9.648 4.902 -5.220 262 HG12 VAL 34 HG12 VAL 34 10.824 3.663 -4.785 263 HG13 VAL 34 HG13 VAL 34 9.518 4.071 -3.672 264 HG21 VAL 34 HG21 VAL 34 7.192 4.124 -5.531 265 HG22 VAL 34 HG22 VAL 34 7.313 3.222 -4.020 266 HG23 VAL 34 HG23 VAL 34 6.884 2.388 -5.509 267 H LEU 35 HN LEU 35 9.831 0.572 -6.158 268 HA LEU 35 HA LEU 35 12.541 0.976 -5.730 269 HB2 LEU 35 HB2 LEU 35 10.573 -1.123 -5.605 270 HB3 LEU 35 HB1 LEU 35 12.177 -1.734 -5.979 271 HG LEU 35 HG LEU 35 12.954 -1.296 -3.875 272 HD11 LEU 35 HD11 LEU 35 12.060 0.513 -2.408 273 HD12 LEU 35 HD12 LEU 35 11.021 1.023 -3.744 274 HD13 LEU 35 HD13 LEU 35 12.777 1.108 -3.904 275 HD21 LEU 35 HD21 LEU 35 11.217 -2.765 -3.434 276 HD22 LEU 35 HD22 LEU 35 9.985 -1.537 -3.731 277 HD23 LEU 35 HD23 LEU 35 10.969 -1.469 -2.261 278 H GLY 36 HN GLY 36 10.865 -0.111 -8.606 279 HA2 GLY 36 HA2 GLY 36 12.339 0.340 -10.633 280 HA3 GLY 36 HA1 GLY 36 13.493 -0.682 -9.788 281 H TYR 37 HN TYR 37 10.304 -1.611 -9.349 282 HA TYR 37 HA TYR 37 10.890 -4.040 -10.870 283 HB2 TYR 37 HB2 TYR 37 8.759 -3.603 -8.780 284 HB3 TYR 37 HB1 TYR 37 9.377 -5.135 -9.366 285 HD1 TYR 37 HD1 TYR 37 9.176 -4.287 -6.450 286 HD2 TYR 37 HD2 TYR 37 12.317 -4.022 -9.291 287 HE1 TYR 37 HE1 TYR 37 10.806 -4.328 -4.625 288 HE2 TYR 37 HE2 TYR 37 13.962 -4.040 -7.490 289 HH TYR 37 HH TYR 37 14.109 -3.543 -5.091 290 H ALA 38 HN ALA 38 8.876 -5.157 -11.731 291 HA ALA 38 HA ALA 38 6.970 -3.190 -12.803 292 HB1 ALA 38 HB1 ALA 38 8.306 -5.336 -14.443 293 HB2 ALA 38 HB2 ALA 38 8.730 -3.623 -14.479 294 HB3 ALA 38 HB3 ALA 38 7.133 -4.149 -15.016 295 H SER 39 HN SER 39 7.435 -6.020 -11.159 296 HA SER 39 HA SER 39 4.651 -6.694 -11.335 297 HB2 SER 39 HB2 SER 39 5.585 -7.870 -13.308 298 HB3 SER 39 HB1 SER 39 6.714 -8.713 -12.253 299 HG SER 39 HG SER 39 3.876 -8.869 -12.158 300 H THR 40 HN THR 40 6.481 -5.764 -9.366 301 HA THR 40 HA THR 40 7.193 -6.093 -7.235 302 HB THR 40 HB THR 40 5.662 -7.342 -5.768 303 HG1 THR 40 HG1 THR 40 5.043 -8.615 -8.085 304 HG21 THR 40 HG21 THR 40 3.577 -6.089 -6.398 305 HG22 THR 40 HG22 THR 40 4.408 -5.599 -7.880 306 HG23 THR 40 HG23 THR 40 5.039 -5.103 -6.306 307 H GLU 41 HN GLU 41 8.660 -7.547 -9.053 308 HA GLU 41 HA GLU 41 8.821 -10.304 -8.485 309 HB2 GLU 41 HB2 GLU 41 11.041 -10.130 -9.695 310 HB3 GLU 41 HB1 GLU 41 9.619 -9.597 -10.577 311 HG2 GLU 41 HG2 GLU 41 11.079 -7.521 -9.082 312 HG3 GLU 41 HG1 GLU 41 11.889 -8.206 -10.492 313 H SER 42 HN SER 42 10.426 -7.550 -7.004 314 HA SER 42 HA SER 42 11.874 -9.461 -5.296 315 HB2 SER 42 HB2 SER 42 12.844 -6.709 -6.083 316 HB3 SER 42 HB1 SER 42 13.736 -7.925 -5.170 317 HG SER 42 HG SER 42 13.400 -9.280 -7.130 318 H LEU 43 HN LEU 43 9.337 -8.597 -4.611 319 HA LEU 43 HA LEU 43 9.928 -6.852 -2.325 320 HB2 LEU 43 HB2 LEU 43 7.390 -7.339 -3.847 321 HB3 LEU 43 HB1 LEU 43 7.453 -6.451 -2.333 322 HG LEU 43 HG LEU 43 9.052 -5.664 -4.754 323 HD11 LEU 43 HD11 LEU 43 6.712 -5.596 -5.316 324 HD12 LEU 43 HD12 LEU 43 7.354 -3.962 -5.133 325 HD13 LEU 43 HD13 LEU 43 6.365 -4.674 -3.855 326 HD21 LEU 43 HD21 LEU 43 9.883 -4.837 -2.647 327 HD22 LEU 43 HD22 LEU 43 8.276 -4.245 -2.220 328 HD23 LEU 43 HD23 LEU 43 9.154 -3.521 -3.567 329 H ASP 44 HN ASP 44 8.357 -7.177 -0.514 330 HA ASP 44 HA ASP 44 7.374 -9.892 -0.164 331 HB2 ASP 44 HB2 ASP 44 9.782 -9.435 0.919 332 HB3 ASP 44 HB1 ASP 44 8.799 -8.663 2.155 333 H THR 45 HN THR 45 5.652 -9.958 1.328 334 HA THR 45 HA THR 45 4.616 -7.316 2.075 335 HB THR 45 HB THR 45 2.468 -8.626 2.516 336 HG1 THR 45 HG1 THR 45 3.765 -10.529 0.833 337 HG21 THR 45 HG21 THR 45 2.625 -7.172 0.640 338 HG22 THR 45 HG22 THR 45 1.893 -8.681 0.095 339 HG23 THR 45 HG23 THR 45 3.588 -8.343 -0.259 340 H HIS 46 HN HIS 46 6.245 -9.929 3.309 341 HA HIS 46 HA HIS 46 5.126 -9.570 6.003 342 HB2 HIS 46 HB2 HIS 46 6.896 -11.739 4.853 343 HB3 HIS 46 HB1 HIS 46 6.439 -11.639 6.545 344 HD1 HIS 46 HD1 HIS 46 4.579 -13.142 7.100 345 HD2 HIS 46 HD2 HIS 46 4.334 -11.763 3.191 346 HE1 HIS 46 HE1 HIS 46 2.553 -14.260 6.119 347 HE2 HIS 46 HE2 HIS 46 2.563 -13.588 3.695 348 H GLU 47 HN GLU 47 7.472 -8.321 4.108 349 HA GLU 47 HA GLU 47 9.282 -7.884 6.380 350 HB2 GLU 47 HB2 GLU 47 11.093 -8.301 5.116 351 HB3 GLU 47 HB1 GLU 47 9.973 -9.119 4.041 352 HG2 GLU 47 HG2 GLU 47 9.734 -6.941 2.805 353 HG3 GLU 47 HG1 GLU 47 11.069 -6.332 3.790 354 H SER 48 HN SER 48 10.206 -5.754 6.490 355 HA SER 48 HA SER 48 8.071 -3.872 5.958 356 HB2 SER 48 HB2 SER 48 10.605 -3.235 7.448 357 HB3 SER 48 HB1 SER 48 8.989 -2.573 7.666 358 HG SER 48 HG SER 48 9.768 -5.237 8.263 359 H PHE 49 HN PHE 49 8.303 -1.914 4.931 360 HA PHE 49 HA PHE 49 9.681 -1.821 2.540 361 HB2 PHE 49 HB2 PHE 49 8.684 0.508 4.169 362 HB3 PHE 49 HB1 PHE 49 9.150 0.588 2.477 363 HD1 PHE 49 HD1 PHE 49 7.746 -0.293 0.768 364 HD2 PHE 49 HD2 PHE 49 6.641 -0.613 4.856 365 HE1 PHE 49 HE1 PHE 49 5.482 -0.929 0.100 366 HE2 PHE 49 HE2 PHE 49 4.361 -1.251 4.191 367 HZ PHE 49 HZ PHE 49 3.735 -1.278 1.870 368 H LYS 50 HN LYS 50 10.692 -0.738 5.667 369 HA LYS 50 HA LYS 50 12.996 0.615 5.236 370 HB2 LYS 50 HB2 LYS 50 11.952 -0.281 7.400 371 HB3 LYS 50 HB1 LYS 50 12.848 -1.751 7.083 372 HG2 LYS 50 HG2 LYS 50 14.004 -0.373 8.667 373 HG3 LYS 50 HG1 LYS 50 14.930 -0.516 7.175 374 HD2 LYS 50 HD2 LYS 50 13.316 1.736 6.828 375 HD3 LYS 50 HD1 LYS 50 13.916 1.842 8.486 376 HE2 LYS 50 HE2 LYS 50 15.658 1.287 6.113 377 HE3 LYS 50 HE1 LYS 50 15.379 2.909 6.743 378 HZ1 LYS 50 HZ1 LYS 50 17.423 1.980 7.611 379 HZ2 LYS 50 HZ2 LYS 50 16.594 0.649 8.238 380 HZ3 LYS 50 HZ3 LYS 50 16.308 2.193 8.863 381 H ASP 51 HN ASP 51 12.624 -2.882 5.195 382 HA ASP 51 HA ASP 51 15.255 -3.444 4.292 383 HB2 ASP 51 HB2 ASP 51 13.764 -5.034 5.538 384 HB3 ASP 51 HB1 ASP 51 12.836 -5.221 4.056 385 H LEU 52 HN LEU 52 12.239 -2.773 2.708 386 HA LEU 52 HA LEU 52 12.906 -3.752 0.132 387 HB2 LEU 52 HB2 LEU 52 10.838 -1.871 1.191 388 HB3 LEU 52 HB1 LEU 52 11.034 -2.073 -0.523 389 HG LEU 52 HG LEU 52 10.503 -4.471 -0.311 390 HD11 LEU 52 HD11 LEU 52 9.547 -5.256 1.828 391 HD12 LEU 52 HD12 LEU 52 10.131 -3.774 2.584 392 HD13 LEU 52 HD13 LEU 52 11.278 -4.925 1.899 393 HD21 LEU 52 HD21 LEU 52 8.680 -2.975 -0.779 394 HD22 LEU 52 HD22 LEU 52 8.504 -2.605 0.938 395 HD23 LEU 52 HD23 LEU 52 8.142 -4.229 0.347 396 H GLY 53 HN GLY 53 13.743 -0.990 1.916 397 HA2 GLY 53 HA2 GLY 53 15.701 0.174 1.221 398 HA3 GLY 53 HA1 GLY 53 15.175 0.012 -0.439 399 H PHE 54 HN PHE 54 12.589 0.856 1.614 400 HA PHE 54 HA PHE 54 12.441 3.386 0.328 401 HB2 PHE 54 HB2 PHE 54 10.715 2.081 2.429 402 HB3 PHE 54 HB1 PHE 54 10.393 3.680 1.763 403 HD1 PHE 54 HD1 PHE 54 9.628 3.977 -0.452 404 HD2 PHE 54 HD2 PHE 54 10.566 0.105 1.006 405 HE1 PHE 54 HE1 PHE 54 8.551 2.996 -2.410 406 HE2 PHE 54 HE2 PHE 54 9.488 -0.905 -0.949 407 HZ PHE 54 HZ PHE 54 8.490 0.537 -2.692 408 H ASP 55 HN ASP 55 12.175 5.425 1.339 409 HA ASP 55 HA ASP 55 13.593 5.897 3.833 410 HB2 ASP 55 HB2 ASP 55 15.190 5.708 1.677 411 HB3 ASP 55 HB1 ASP 55 14.636 7.383 1.470 412 H SER 56 HN SER 56 14.107 8.589 3.485 413 HA SER 56 HA SER 56 11.468 9.747 3.249 414 HB2 SER 56 HB2 SER 56 13.231 10.459 4.948 415 HB3 SER 56 HB1 SER 56 14.089 11.218 3.610 416 HG SER 56 HG SER 56 12.723 12.812 3.656 417 H LEU 57 HN LEU 57 12.510 8.486 0.940 418 HA LEU 57 HA LEU 57 12.267 10.668 -0.979 419 HB2 LEU 57 HB2 LEU 57 14.081 8.294 -1.256 420 HB3 LEU 57 HB1 LEU 57 13.898 9.590 -2.418 421 HG LEU 57 HG LEU 57 14.988 9.962 0.365 422 HD11 LEU 57 HD11 LEU 57 16.443 9.574 -2.246 423 HD12 LEU 57 HD12 LEU 57 16.458 8.491 -0.856 424 HD13 LEU 57 HD13 LEU 57 17.195 10.089 -0.737 425 HD21 LEU 57 HD21 LEU 57 15.029 11.731 -2.080 426 HD22 LEU 57 HD22 LEU 57 15.810 12.086 -0.539 427 HD23 LEU 57 HD23 LEU 57 14.052 11.972 -0.631 428 H THR 58 HN THR 58 12.645 7.153 -0.959 429 HA THR 58 HA THR 58 10.843 6.754 -3.100 430 HB THR 58 HB THR 58 11.080 4.291 -2.252 431 HG1 THR 58 HG1 THR 58 13.462 4.841 -1.118 432 HG21 THR 58 HG21 THR 58 13.476 5.855 -3.209 433 HG22 THR 58 HG22 THR 58 12.193 5.217 -4.235 434 HG23 THR 58 HG23 THR 58 13.248 4.113 -3.352 435 H ALA 59 HN ALA 59 10.562 6.282 0.402 436 HA ALA 59 HA ALA 59 8.059 5.112 0.495 437 HB1 ALA 59 HB1 ALA 59 9.553 5.468 2.457 438 HB2 ALA 59 HB2 ALA 59 7.884 5.960 2.754 439 HB3 ALA 59 HB3 ALA 59 9.122 7.177 2.431 440 H LEU 60 HN LEU 60 9.024 8.405 -0.042 441 HA LEU 60 HA LEU 60 6.491 9.603 0.327 442 HB2 LEU 60 HB2 LEU 60 8.847 10.507 -1.301 443 HB3 LEU 60 HB1 LEU 60 7.515 11.521 -0.754 444 HG LEU 60 HG LEU 60 9.306 10.042 1.155 445 HD11 LEU 60 HD11 LEU 60 10.767 11.403 -0.039 446 HD12 LEU 60 HD12 LEU 60 10.376 12.297 1.432 447 HD13 LEU 60 HD13 LEU 60 9.607 12.734 -0.098 448 HD21 LEU 60 HD21 LEU 60 8.490 11.712 2.742 449 HD22 LEU 60 HD22 LEU 60 7.164 10.777 2.052 450 HD23 LEU 60 HD23 LEU 60 7.475 12.416 1.482 451 H GLU 61 HN GLU 61 8.281 8.626 -2.625 452 HA GLU 61 HA GLU 61 6.089 9.332 -4.312 453 HB2 GLU 61 HB2 GLU 61 7.308 7.804 -5.995 454 HB3 GLU 61 HB1 GLU 61 8.114 9.282 -5.472 455 HG2 GLU 61 HG2 GLU 61 9.408 7.950 -3.854 456 HG3 GLU 61 HG1 GLU 61 8.639 6.495 -4.482 457 H LEU 62 HN LEU 62 6.959 6.491 -2.505 458 HA LEU 62 HA LEU 62 5.038 4.743 -3.721 459 HB2 LEU 62 HB2 LEU 62 6.804 3.801 -2.383 460 HB3 LEU 62 HB1 LEU 62 6.289 4.724 -0.987 461 HG LEU 62 HG LEU 62 4.177 3.480 -0.930 462 HD11 LEU 62 HD11 LEU 62 3.909 2.979 -3.250 463 HD12 LEU 62 HD12 LEU 62 3.954 1.468 -2.335 464 HD13 LEU 62 HD13 LEU 62 5.368 1.992 -3.247 465 HD21 LEU 62 HD21 LEU 62 6.553 1.652 -1.035 466 HD22 LEU 62 HD22 LEU 62 5.068 1.430 -0.105 467 HD23 LEU 62 HD23 LEU 62 6.181 2.738 0.302 468 H ARG 63 HN ARG 63 5.073 6.753 -0.845 469 HA ARG 63 HA ARG 63 2.501 6.299 0.114 470 HB2 ARG 63 HB2 ARG 63 3.966 7.550 1.472 471 HB3 ARG 63 HB1 ARG 63 4.448 8.599 0.149 472 HG2 ARG 63 HG2 ARG 63 1.893 9.298 0.269 473 HG3 ARG 63 HG1 ARG 63 2.109 8.778 1.944 474 HD2 ARG 63 HD2 ARG 63 2.581 11.142 1.764 475 HD3 ARG 63 HD1 ARG 63 4.063 10.265 2.124 476 HE ARG 63 HE ARG 63 4.846 10.710 -0.051 477 HH11 ARG 63 HH11 ARG 63 1.681 12.080 0.529 478 HH12 ARG 63 HH12 ARG 63 1.777 13.194 -0.798 479 HH21 ARG 63 HH21 ARG 63 4.974 12.172 -1.809 480 HH22 ARG 63 HH22 ARG 63 3.641 13.234 -2.131 481 H ASP 64 HN ASP 64 3.838 8.598 -2.170 482 HA ASP 64 HA ASP 64 1.581 9.921 -3.012 483 HB2 ASP 64 HB2 ASP 64 3.947 10.453 -3.589 484 HB3 ASP 64 HB1 ASP 64 3.915 9.107 -4.716 485 H HIS 65 HN HIS 65 3.018 6.902 -4.147 486 HA HIS 65 HA HIS 65 1.253 6.378 -6.257 487 HB2 HIS 65 HB2 HIS 65 2.856 4.550 -4.511 488 HB3 HIS 65 HB1 HIS 65 1.939 3.993 -5.890 489 HD1 HIS 65 HD1 HIS 65 2.907 6.655 -7.610 490 HD2 HIS 65 HD2 HIS 65 5.197 3.797 -5.689 491 HE1 HIS 65 HE1 HIS 65 5.184 6.733 -8.705 492 HE2 HIS 65 HE2 HIS 65 6.556 5.049 -7.485 493 H LEU 66 HN LEU 66 1.101 5.505 -2.801 494 HA LEU 66 HA LEU 66 -1.088 3.743 -3.081 495 HB2 LEU 66 HB2 LEU 66 0.115 5.248 -0.799 496 HB3 LEU 66 HB1 LEU 66 -1.367 4.353 -0.569 497 HG LEU 66 HG LEU 66 -0.319 2.324 -0.615 498 HD11 LEU 66 HD11 LEU 66 1.836 3.494 -2.361 499 HD12 LEU 66 HD12 LEU 66 0.492 2.488 -2.904 500 HD13 LEU 66 HD13 LEU 66 1.726 1.812 -1.843 501 HD21 LEU 66 HD21 LEU 66 0.713 3.553 1.184 502 HD22 LEU 66 HD22 LEU 66 1.934 4.193 0.083 503 HD23 LEU 66 HD23 LEU 66 1.896 2.468 0.450 504 H GLN 67 HN GLN 67 -0.874 7.180 -2.393 505 HA GLN 67 HA GLN 67 -3.671 7.531 -1.881 506 HB2 GLN 67 HB2 GLN 67 -1.826 9.703 -2.814 507 HB3 GLN 67 HB1 GLN 67 -3.200 9.829 -1.725 508 HG2 GLN 67 HG2 GLN 67 -2.044 8.951 0.052 509 HG3 GLN 67 HG1 GLN 67 -0.887 8.140 -1.010 510 HE21 GLN 67 HE21 GLN 67 -0.321 10.406 -2.639 511 HE22 GLN 67 HE22 GLN 67 0.622 11.488 -1.691 512 H THR 68 HN THR 68 -1.576 7.771 -4.676 513 HA THR 68 HA THR 68 -3.500 8.781 -6.455 514 HB THR 68 HB THR 68 -0.825 7.514 -6.545 515 HG1 THR 68 HG1 THR 68 -0.277 9.459 -7.454 516 HG21 THR 68 HG21 THR 68 -2.512 7.897 -9.020 517 HG22 THR 68 HG22 THR 68 -1.941 6.362 -8.363 518 HG23 THR 68 HG23 THR 68 -0.786 7.532 -9.000 519 H ALA 69 HN ALA 69 -2.243 5.609 -5.758 520 HA ALA 69 HA ALA 69 -3.806 4.059 -7.420 521 HB1 ALA 69 HB1 ALA 69 -2.667 3.416 -4.725 522 HB2 ALA 69 HB2 ALA 69 -1.864 3.227 -6.284 523 HB3 ALA 69 HB3 ALA 69 -3.265 2.228 -5.885 524 H THR 70 HN THR 70 -4.405 4.922 -4.013 525 HA THR 70 HA THR 70 -6.926 3.467 -4.092 526 HB THR 70 HB THR 70 -7.068 3.924 -1.698 527 HG1 THR 70 HG1 THR 70 -4.579 5.267 -1.807 528 HG21 THR 70 HG21 THR 70 -5.073 2.769 -0.972 529 HG22 THR 70 HG22 THR 70 -4.245 3.201 -2.467 530 HG23 THR 70 HG23 THR 70 -5.616 2.084 -2.504 531 H GLY 71 HN GLY 71 -5.735 6.720 -3.959 532 HA2 GLY 71 HA2 GLY 71 -6.882 8.667 -4.553 533 HA3 GLY 71 HA1 GLY 71 -8.397 7.773 -4.489 534 H LEU 72 HN LEU 72 -6.484 7.130 -1.841 535 HA LEU 72 HA LEU 72 -8.230 8.745 -0.144 536 HB2 LEU 72 HB2 LEU 72 -6.542 6.301 0.286 537 HB3 LEU 72 HB1 LEU 72 -7.101 7.243 1.650 538 HG LEU 72 HG LEU 72 -8.506 5.265 1.198 539 HD11 LEU 72 HD11 LEU 72 -9.438 7.268 2.289 540 HD12 LEU 72 HD12 LEU 72 -10.638 6.346 1.385 541 HD13 LEU 72 HD13 LEU 72 -9.983 7.841 0.711 542 HD21 LEU 72 HD21 LEU 72 -9.194 6.666 -1.369 543 HD22 LEU 72 HD22 LEU 72 -10.006 5.240 -0.725 544 HD23 LEU 72 HD23 LEU 72 -8.316 5.150 -1.209 545 H ASN 73 HN ASN 73 -6.661 8.897 2.132 546 HA ASN 73 HA ASN 73 -4.548 10.742 1.234 547 HB2 ASN 73 HB2 ASN 73 -6.673 11.870 2.021 548 HB3 ASN 73 HB1 ASN 73 -6.352 11.195 3.615 549 HD21 ASN 73 HD21 ASN 73 -5.382 13.514 1.238 550 HD22 ASN 73 HD22 ASN 73 -4.288 14.398 2.246 551 H LEU 74 HN LEU 74 -2.819 9.458 1.681 552 HA LEU 74 HA LEU 74 -2.667 8.151 4.265 553 HB2 LEU 74 HB2 LEU 74 -0.987 7.904 1.780 554 HB3 LEU 74 HB1 LEU 74 -0.636 7.061 3.282 555 HG LEU 74 HG LEU 74 -3.102 6.187 3.003 556 HD11 LEU 74 HD11 LEU 74 -3.787 5.870 0.711 557 HD12 LEU 74 HD12 LEU 74 -2.343 6.707 0.129 558 HD13 LEU 74 HD13 LEU 74 -3.580 7.596 1.019 559 HD21 LEU 74 HD21 LEU 74 -2.175 4.303 1.637 560 HD22 LEU 74 HD22 LEU 74 -1.283 4.703 3.102 561 HD23 LEU 74 HD23 LEU 74 -0.676 5.221 1.529 562 H SER 75 HN SER 75 0.351 8.166 4.268 563 HA SER 75 HA SER 75 0.635 10.910 5.288 564 HB2 SER 75 HB2 SER 75 -0.142 9.506 7.154 565 HB3 SER 75 HB1 SER 75 1.212 8.408 6.896 566 HG SER 75 HG SER 75 1.282 10.293 8.537 567 H SER 76 HN SER 76 2.968 11.326 6.050 568 HA SER 76 HA SER 76 4.663 10.802 3.828 569 HB2 SER 76 HB2 SER 76 4.723 12.899 5.173 570 HB3 SER 76 HB1 SER 76 5.414 11.982 6.509 571 HG SER 76 HG SER 76 7.283 12.145 5.589 572 H THR 77 HN THR 77 4.651 9.642 7.176 573 HA THR 77 HA THR 77 6.842 7.789 6.530 574 HB THR 77 HB THR 77 6.895 7.398 9.025 575 HG1 THR 77 HG1 THR 77 4.929 8.140 9.721 576 HG21 THR 77 HG21 THR 77 8.043 9.524 9.513 577 HG22 THR 77 HG22 THR 77 7.359 10.211 8.038 578 HG23 THR 77 HG23 THR 77 8.497 8.868 7.939 579 H LEU 78 HN LEU 78 4.267 7.540 5.553 580 HA LEU 78 HA LEU 78 2.377 6.033 6.821 581 HB2 LEU 78 HB2 LEU 78 2.240 7.139 4.628 582 HB3 LEU 78 HB1 LEU 78 3.292 5.923 3.964 583 HG LEU 78 HG LEU 78 0.689 5.874 3.619 584 HD11 LEU 78 HD11 LEU 78 2.107 4.356 2.522 585 HD12 LEU 78 HD12 LEU 78 0.859 3.404 3.344 586 HD13 LEU 78 HD13 LEU 78 2.479 3.511 4.034 587 HD21 LEU 78 HD21 LEU 78 1.117 4.670 6.311 588 HD22 LEU 78 HD22 LEU 78 -0.162 4.070 5.251 589 HD23 LEU 78 HD23 LEU 78 -0.154 5.761 5.750 590 H ILE 79 HN ILE 79 4.885 4.694 4.683 591 HA ILE 79 HA ILE 79 4.340 1.989 5.498 592 HB ILE 79 HB ILE 79 6.129 1.383 4.000 593 HG12 ILE 79 HG12 ILE 79 6.754 4.321 4.029 594 HG13 ILE 79 HG11 ILE 79 7.831 2.978 4.403 595 HG21 ILE 79 HG21 ILE 79 5.356 2.479 1.941 596 HG22 ILE 79 HG22 ILE 79 4.425 3.617 2.924 597 HG23 ILE 79 HG23 ILE 79 4.032 1.893 2.950 598 HD11 ILE 79 HD11 ILE 79 8.435 3.786 2.276 599 HD12 ILE 79 HD12 ILE 79 6.755 3.821 1.742 600 HD13 ILE 79 HD13 ILE 79 7.569 2.273 2.006 601 H PHE 80 HN PHE 80 5.740 4.247 7.247 602 HA PHE 80 HA PHE 80 7.557 2.312 8.501 603 HB2 PHE 80 HB2 PHE 80 7.717 5.334 8.531 604 HB3 PHE 80 HB1 PHE 80 8.784 4.260 9.428 605 HD1 PHE 80 HD1 PHE 80 9.038 6.353 6.921 606 HD2 PHE 80 HD2 PHE 80 9.328 2.146 7.492 607 HE1 PHE 80 HE1 PHE 80 10.463 6.181 4.926 608 HE2 PHE 80 HE2 PHE 80 10.750 1.953 5.494 609 HZ PHE 80 HZ PHE 80 11.328 3.986 4.211 610 H ASP 81 HN ASP 81 4.756 4.081 8.608 611 HA ASP 81 HA ASP 81 4.285 3.918 11.446 612 HB2 ASP 81 HB2 ASP 81 3.201 5.534 9.657 613 HB3 ASP 81 HB1 ASP 81 2.161 4.159 9.369 614 H HIS 82 HN HIS 82 3.555 2.340 8.472 615 HA HIS 82 HA HIS 82 2.630 -0.066 9.857 616 HB2 HIS 82 HB2 HIS 82 1.816 0.850 7.094 617 HB3 HIS 82 HB1 HIS 82 1.095 -0.436 8.054 618 HD1 HIS 82 HD1 HIS 82 -0.394 0.311 10.093 619 HD2 HIS 82 HD2 HIS 82 0.958 3.407 7.666 620 HE1 HIS 82 HE1 HIS 82 -1.697 2.335 10.797 621 HE2 HIS 82 HE2 HIS 82 -0.665 4.233 9.501 622 HA PRO 83 HA PRO 83 6.620 -1.020 8.460 623 HB2 PRO 83 HB2 PRO 83 6.606 -3.706 9.055 624 HB3 PRO 83 HB1 PRO 83 6.822 -2.425 10.254 625 HG2 PRO 83 HG2 PRO 83 4.323 -3.922 9.505 626 HG3 PRO 83 HG1 PRO 83 4.938 -3.499 11.120 627 HD2 PRO 83 HD2 PRO 83 2.992 -2.067 9.966 628 HD3 PRO 83 HD1 PRO 83 4.252 -1.284 10.930 629 H THR 84 HN THR 84 4.046 -3.206 7.339 630 HA THR 84 HA THR 84 5.740 -3.811 5.029 631 HB THR 84 HB THR 84 4.694 -6.013 4.957 632 HG1 THR 84 HG1 THR 84 3.603 -6.066 7.421 633 HG21 THR 84 HG21 THR 84 5.800 -5.384 7.700 634 HG22 THR 84 HG22 THR 84 6.762 -5.732 6.265 635 HG23 THR 84 HG23 THR 84 5.722 -6.982 6.953 636 HA PRO 85 HA PRO 85 2.446 -2.605 2.293 637 HB2 PRO 85 HB2 PRO 85 2.786 -5.236 0.975 638 HB3 PRO 85 HB1 PRO 85 2.905 -3.622 0.280 639 HG2 PRO 85 HG2 PRO 85 5.073 -5.140 0.706 640 HG3 PRO 85 HG1 PRO 85 5.111 -3.376 0.877 641 HD2 PRO 85 HD2 PRO 85 5.059 -5.477 2.978 642 HD3 PRO 85 HD1 PRO 85 5.848 -3.893 2.986 643 H HIS 86 HN HIS 86 2.582 -5.480 4.052 644 HA HIS 86 HA HIS 86 -0.144 -6.318 3.681 645 HB2 HIS 86 HB2 HIS 86 1.200 -8.065 4.398 646 HB3 HIS 86 HB1 HIS 86 2.141 -7.044 5.458 647 HD1 HIS 86 HD1 HIS 86 -0.617 -9.448 5.464 648 HD2 HIS 86 HD2 HIS 86 0.778 -6.399 7.938 649 HE1 HIS 86 HE1 HIS 86 -1.652 -9.882 7.712 650 HE2 HIS 86 HE2 HIS 86 -0.861 -7.992 9.178 651 H ALA 87 HN ALA 87 1.698 -4.541 6.088 652 HA ALA 87 HA ALA 87 -0.508 -4.043 7.840 653 HB1 ALA 87 HB1 ALA 87 1.839 -4.126 8.610 654 HB2 ALA 87 HB2 ALA 87 1.043 -2.616 9.044 655 HB3 ALA 87 HB3 ALA 87 2.168 -2.658 7.687 656 H VAL 88 HN VAL 88 0.778 -2.651 5.060 657 HA VAL 88 HA VAL 88 -0.369 -0.024 5.498 658 HB VAL 88 HB VAL 88 1.117 -1.252 3.199 659 HG11 VAL 88 HG11 VAL 88 1.175 1.010 2.224 660 HG12 VAL 88 HG12 VAL 88 0.036 1.534 3.465 661 HG13 VAL 88 HG13 VAL 88 -0.442 0.312 2.287 662 HG21 VAL 88 HG21 VAL 88 2.501 -0.787 5.123 663 HG22 VAL 88 HG22 VAL 88 1.895 0.874 5.182 664 HG23 VAL 88 HG23 VAL 88 2.878 0.340 3.820 665 H ALA 89 HN ALA 89 -0.843 -2.803 3.377 666 HA ALA 89 HA ALA 89 -2.991 -1.751 1.933 667 HB1 ALA 89 HB1 ALA 89 -2.379 -4.614 2.632 668 HB2 ALA 89 HB2 ALA 89 -1.888 -3.735 1.180 669 HB3 ALA 89 HB3 ALA 89 -3.591 -4.096 1.457 670 H GLU 90 HN GLU 90 -2.938 -3.520 5.058 671 HA GLU 90 HA GLU 90 -5.802 -3.515 5.229 672 HB2 GLU 90 HB2 GLU 90 -5.404 -4.100 7.624 673 HB3 GLU 90 HB1 GLU 90 -4.610 -5.175 6.480 674 HG2 GLU 90 HG2 GLU 90 -2.507 -4.140 6.861 675 HG3 GLU 90 HG1 GLU 90 -3.243 -2.877 7.843 676 H HIS 91 HN HIS 91 -3.227 -1.369 6.096 677 HA HIS 91 HA HIS 91 -4.689 0.444 7.650 678 HB2 HIS 91 HB2 HIS 91 -2.339 0.641 7.725 679 HB3 HIS 91 HB1 HIS 91 -2.206 0.714 5.964 680 HD1 HIS 91 HD1 HIS 91 -3.539 2.810 8.849 681 HD2 HIS 91 HD2 HIS 91 -2.181 3.196 4.941 682 HE1 HIS 91 HE1 HIS 91 -3.449 5.281 8.414 683 HE2 HIS 91 HE2 HIS 91 -2.738 5.502 6.011 684 H LEU 92 HN LEU 92 -4.537 -0.163 4.253 685 HA LEU 92 HA LEU 92 -5.681 2.317 3.467 686 HB2 LEU 92 HB2 LEU 92 -4.956 -0.232 2.136 687 HB3 LEU 92 HB1 LEU 92 -6.207 0.740 1.365 688 HG LEU 92 HG LEU 92 -4.755 2.511 0.937 689 HD11 LEU 92 HD11 LEU 92 -2.405 2.517 1.960 690 HD12 LEU 92 HD12 LEU 92 -3.065 1.388 3.142 691 HD13 LEU 92 HD13 LEU 92 -3.755 3.005 2.983 692 HD21 LEU 92 HD21 LEU 92 -3.039 0.050 0.777 693 HD22 LEU 92 HD22 LEU 92 -2.783 1.553 -0.109 694 HD23 LEU 92 HD23 LEU 92 -4.215 0.573 -0.429 695 H LEU 93 HN LEU 93 -6.900 -0.480 4.885 696 HA LEU 93 HA LEU 93 -9.608 -0.314 3.940 697 HB2 LEU 93 HB2 LEU 93 -8.361 -1.686 6.296 698 HB3 LEU 93 HB1 LEU 93 -10.088 -1.695 6.025 699 HG LEU 93 HG LEU 93 -9.918 -3.107 4.175 700 HD11 LEU 93 HD11 LEU 93 -7.766 -3.655 3.078 701 HD12 LEU 93 HD12 LEU 93 -6.982 -2.422 4.076 702 HD13 LEU 93 HD13 LEU 93 -8.223 -1.959 2.910 703 HD21 LEU 93 HD21 LEU 93 -8.601 -4.977 4.948 704 HD22 LEU 93 HD22 LEU 93 -9.389 -4.188 6.315 705 HD23 LEU 93 HD23 LEU 93 -7.672 -3.913 6.007 706 H GLU 94 HN GLU 94 -7.705 0.967 6.489 707 HA GLU 94 HA GLU 94 -9.645 2.024 8.202 708 HB2 GLU 94 HB2 GLU 94 -6.824 2.673 7.487 709 HB3 GLU 94 HB1 GLU 94 -7.712 3.787 8.530 710 HG2 GLU 94 HG2 GLU 94 -7.371 0.853 9.093 711 HG3 GLU 94 HG1 GLU 94 -6.313 2.112 9.728 712 H GLN 95 HN GLN 95 -8.408 3.062 5.139 713 HA GLN 95 HA GLN 95 -9.422 5.740 5.281 714 HB2 GLN 95 HB2 GLN 95 -8.559 4.297 2.798 715 HB3 GLN 95 HB1 GLN 95 -8.345 5.993 3.214 716 HG2 GLN 95 HG2 GLN 95 -6.943 3.741 4.622 717 HG3 GLN 95 HG1 GLN 95 -6.265 4.607 3.253 718 HE21 GLN 95 HE21 GLN 95 -5.487 4.336 6.089 719 HE22 GLN 95 HE22 GLN 95 -5.304 5.954 6.674 720 H ILE 96 HN ILE 96 -10.573 2.662 4.404 721 HA ILE 96 HA ILE 96 -12.315 3.409 2.289 722 HB ILE 96 HB ILE 96 -12.117 0.881 3.900 723 HG12 ILE 96 HG12 ILE 96 -10.040 1.666 2.861 724 HG13 ILE 96 HG11 ILE 96 -10.595 0.156 2.182 725 HG21 ILE 96 HG21 ILE 96 -13.177 -0.262 2.115 726 HG22 ILE 96 HG22 ILE 96 -13.186 1.190 1.118 727 HG23 ILE 96 HG23 ILE 96 -14.207 1.100 2.555 728 HD11 ILE 96 HD11 ILE 96 -11.074 2.847 0.929 729 HD12 ILE 96 HD12 ILE 96 -11.367 1.264 0.207 730 HD13 ILE 96 HD13 ILE 96 -9.712 1.795 0.527 731 HA PRO 97 HA PRO 97 -15.825 4.694 4.539 732 HB2 PRO 97 HB2 PRO 97 -17.605 4.693 2.565 733 HB3 PRO 97 HB1 PRO 97 -16.191 5.756 2.517 734 HG2 PRO 97 HG2 PRO 97 -16.557 3.077 1.223 735 HG3 PRO 97 HG1 PRO 97 -16.001 4.584 0.487 736 HD2 PRO 97 HD2 PRO 97 -14.293 2.688 1.329 737 HD3 PRO 97 HD1 PRO 97 -13.909 4.407 1.417 738 H GLY 98 HN GLY 98 -15.891 2.617 5.869 739 HA2 GLY 98 HA2 GLY 98 -17.481 1.341 6.972 740 HA3 GLY 98 HA1 GLY 98 -18.610 1.681 5.676 741 H ILE 99 HN ILE 99 -17.538 0.608 3.491 742 HA ILE 99 HA ILE 99 -17.959 -2.140 3.670 743 HB ILE 99 HB ILE 99 -16.427 -2.083 1.484 744 HG12 ILE 99 HG12 ILE 99 -17.467 0.692 1.325 745 HG13 ILE 99 HG11 ILE 99 -16.014 0.439 2.283 746 HG21 ILE 99 HG21 ILE 99 -19.203 -0.928 1.679 747 HG22 ILE 99 HG22 ILE 99 -18.783 -2.632 1.510 748 HG23 ILE 99 HG23 ILE 99 -18.440 -1.505 0.198 749 HD11 ILE 99 HD11 ILE 99 -14.968 -0.631 0.322 750 HD12 ILE 99 HD12 ILE 99 -15.388 1.067 0.081 751 HD13 ILE 99 HD13 ILE 99 -16.398 -0.203 -0.627 752 H GLY 100 HN GLY 100 -15.066 -0.274 4.140 753 HA2 GLY 100 HA2 GLY 100 -13.541 -2.759 4.527 754 HA3 GLY 100 HA1 GLY 100 -12.835 -1.247 3.960 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 -4.247 11.616 -2.786 2 H2 GLY 1 HT2 GLY 1 -3.336 12.110 -4.121 3 H3 GLY 1 HT3 GLY 1 -4.501 10.898 -4.297 4 HA2 GLY 1 HA1 GLY 1 -5.019 13.743 -3.652 5 HA3 GLY 1 HA2 GLY 1 -5.330 12.961 -5.194 6 H SER 2 HN SER 2 -7.467 14.094 -4.354 7 HA SER 2 HA SER 2 -8.962 12.383 -2.543 8 HB2 SER 2 HB2 SER 2 -10.763 14.158 -2.978 9 HB3 SER 2 HB1 SER 2 -9.304 14.689 -2.141 10 HG SER 2 HG SER 2 -10.253 15.342 -4.656 11 H THR 3 HN THR 3 -9.928 10.642 -3.326 12 HA THR 3 HA THR 3 -11.625 10.827 -5.652 13 HB THR 3 HB THR 3 -9.160 9.091 -5.664 14 HG1 THR 3 HG1 THR 3 -9.790 11.409 -6.786 15 HG21 THR 3 HG21 THR 3 -11.574 8.877 -7.461 16 HG22 THR 3 HG22 THR 3 -11.029 7.675 -6.285 17 HG23 THR 3 HG23 THR 3 -10.042 8.038 -7.706 18 H ALA 4 HN ALA 4 -9.993 8.146 -4.037 19 HA ALA 4 HA ALA 4 -10.659 6.391 -2.837 20 HB1 ALA 4 HB1 ALA 4 -12.528 6.567 -1.334 21 HB2 ALA 4 HB2 ALA 4 -13.172 7.938 -2.238 22 HB3 ALA 4 HB3 ALA 4 -11.652 8.097 -1.357 23 H THR 5 HN THR 5 -13.672 7.505 -4.419 24 HA THR 5 HA THR 5 -14.955 5.132 -4.769 25 HB THR 5 HB THR 5 -14.863 7.203 -6.956 26 HG1 THR 5 HG1 THR 5 -15.895 8.549 -5.654 27 HG21 THR 5 HG21 THR 5 -17.198 6.590 -7.272 28 HG22 THR 5 HG22 THR 5 -17.109 5.465 -5.917 29 HG23 THR 5 HG23 THR 5 -16.182 5.151 -7.385 30 H LEU 6 HN LEU 6 -12.109 6.098 -6.470 31 HA LEU 6 HA LEU 6 -12.112 4.275 -8.582 32 HB2 LEU 6 HB2 LEU 6 -10.462 5.976 -8.514 33 HB3 LEU 6 HB1 LEU 6 -9.948 5.505 -6.906 34 HG LEU 6 HG LEU 6 -8.972 3.439 -7.822 35 HD11 LEU 6 HD11 LEU 6 -9.778 4.594 -10.492 36 HD12 LEU 6 HD12 LEU 6 -10.433 3.137 -9.745 37 HD13 LEU 6 HD13 LEU 6 -8.744 3.187 -10.250 38 HD21 LEU 6 HD21 LEU 6 -7.083 4.495 -8.915 39 HD22 LEU 6 HD22 LEU 6 -7.642 5.494 -7.572 40 HD23 LEU 6 HD23 LEU 6 -8.043 5.940 -9.230 41 H LEU 7 HN LEU 7 -10.285 3.925 -5.546 42 HA LEU 7 HA LEU 7 -10.049 1.093 -5.956 43 HB2 LEU 7 HB2 LEU 7 -8.628 3.054 -4.578 44 HB3 LEU 7 HB1 LEU 7 -9.293 2.021 -3.328 45 HG LEU 7 HG LEU 7 -7.003 1.358 -4.077 46 HD11 LEU 7 HD11 LEU 7 -8.608 -0.153 -2.974 47 HD12 LEU 7 HD12 LEU 7 -7.511 -0.999 -4.069 48 HD13 LEU 7 HD13 LEU 7 -9.177 -0.672 -4.560 49 HD21 LEU 7 HD21 LEU 7 -6.656 0.361 -6.193 50 HD22 LEU 7 HD22 LEU 7 -7.502 1.880 -6.516 51 HD23 LEU 7 HD23 LEU 7 -8.381 0.352 -6.556 52 H THR 8 HN THR 8 -11.915 3.231 -3.962 53 HA THR 8 HA THR 8 -12.821 1.484 -1.996 54 HB THR 8 HB THR 8 -14.091 3.874 -3.284 55 HG1 THR 8 HG1 THR 8 -12.168 3.568 -1.516 56 HG21 THR 8 HG21 THR 8 -15.044 2.439 -0.804 57 HG22 THR 8 HG22 THR 8 -15.882 2.462 -2.355 58 HG23 THR 8 HG23 THR 8 -15.685 3.955 -1.436 59 H SER 9 HN SER 9 -13.868 1.909 -5.305 60 HA SER 9 HA SER 9 -16.201 0.286 -5.104 61 HB2 SER 9 HB2 SER 9 -14.572 1.322 -7.420 62 HB3 SER 9 HB1 SER 9 -16.027 0.339 -7.645 63 HG SER 9 HG SER 9 -15.753 2.974 -6.959 64 H LYS 10 HN LYS 10 -12.844 -0.357 -5.402 65 HA LYS 10 HA LYS 10 -13.016 -3.042 -6.369 66 HB2 LYS 10 HB2 LYS 10 -10.930 -1.486 -6.234 67 HB3 LYS 10 HB1 LYS 10 -10.866 -1.956 -4.541 68 HG2 LYS 10 HG2 LYS 10 -9.900 -3.343 -6.878 69 HG3 LYS 10 HG1 LYS 10 -9.551 -3.622 -5.181 70 HD2 LYS 10 HD2 LYS 10 -10.514 -5.609 -5.691 71 HD3 LYS 10 HD1 LYS 10 -11.964 -4.702 -5.261 72 HE2 LYS 10 HE2 LYS 10 -12.471 -5.815 -7.258 73 HE3 LYS 10 HE1 LYS 10 -12.171 -4.140 -7.715 74 HZ1 LYS 10 HZ1 LYS 10 -11.075 -5.609 -9.251 75 HZ2 LYS 10 HZ2 LYS 10 -10.268 -6.403 -7.997 76 HZ3 LYS 10 HZ3 LYS 10 -9.901 -4.790 -8.350 77 H LEU 11 HN LEU 11 -12.474 -1.623 -3.171 78 HA LEU 11 HA LEU 11 -12.492 -4.029 -1.744 79 HB2 LEU 11 HB2 LEU 11 -13.256 -1.294 -0.737 80 HB3 LEU 11 HB1 LEU 11 -12.883 -2.673 0.268 81 HG LEU 11 HG LEU 11 -10.881 -1.584 0.356 82 HD11 LEU 11 HD11 LEU 11 -10.561 -3.074 -2.236 83 HD12 LEU 11 HD12 LEU 11 -10.574 -3.827 -0.635 84 HD13 LEU 11 HD13 LEU 11 -9.294 -2.686 -1.064 85 HD21 LEU 11 HD21 LEU 11 -11.718 0.197 -1.245 86 HD22 LEU 11 HD22 LEU 11 -11.011 -0.780 -2.536 87 HD23 LEU 11 HD23 LEU 11 -9.985 -0.127 -1.255 88 H ALA 12 HN ALA 12 -15.060 -2.031 -2.873 89 HA ALA 12 HA ALA 12 -17.232 -2.896 -1.416 90 HB1 ALA 12 HB1 ALA 12 -17.058 -2.361 -4.382 91 HB2 ALA 12 HB2 ALA 12 -17.341 -1.157 -3.121 92 HB3 ALA 12 HB3 ALA 12 -18.547 -2.404 -3.437 93 H GLY 13 HN GLY 13 -15.466 -4.537 -3.962 94 HA2 GLY 13 HA2 GLY 13 -17.405 -6.688 -4.159 95 HA3 GLY 13 HA1 GLY 13 -15.914 -6.522 -5.078 96 H LEU 14 HN LEU 14 -14.841 -6.000 -2.097 97 HA LEU 14 HA LEU 14 -14.162 -8.822 -1.732 98 HB2 LEU 14 HB2 LEU 14 -12.795 -6.322 -0.864 99 HB3 LEU 14 HB1 LEU 14 -12.325 -7.881 -0.302 100 HG LEU 14 HG LEU 14 -10.838 -7.750 -1.949 101 HD11 LEU 14 HD11 LEU 14 -11.567 -8.748 -4.033 102 HD12 LEU 14 HD12 LEU 14 -13.249 -8.409 -3.617 103 HD13 LEU 14 HD13 LEU 14 -12.312 -9.551 -2.647 104 HD21 LEU 14 HD21 LEU 14 -12.714 -5.852 -3.304 105 HD22 LEU 14 HD22 LEU 14 -11.132 -6.310 -3.926 106 HD23 LEU 14 HD23 LEU 14 -11.262 -5.461 -2.383 107 H THR 15 HN THR 15 -13.691 -9.468 0.411 108 HA THR 15 HA THR 15 -15.367 -8.272 2.481 109 HB THR 15 HB THR 15 -14.854 -10.266 3.766 110 HG1 THR 15 HG1 THR 15 -13.420 -11.854 2.439 111 HG21 THR 15 HG21 THR 15 -16.573 -10.577 2.080 112 HG22 THR 15 HG22 THR 15 -15.612 -12.051 2.207 113 HG23 THR 15 HG23 THR 15 -15.349 -10.936 0.861 114 H ALA 16 HN ALA 16 -14.115 -7.964 4.640 115 HA ALA 16 HA ALA 16 -12.161 -6.053 4.314 116 HB1 ALA 16 HB1 ALA 16 -11.629 -6.345 6.666 117 HB2 ALA 16 HB2 ALA 16 -12.410 -7.926 6.672 118 HB3 ALA 16 HB3 ALA 16 -13.370 -6.469 6.419 119 H THR 17 HN THR 17 -11.724 -9.536 4.632 120 HA THR 17 HA THR 17 -8.912 -9.544 4.825 121 HB THR 17 HB THR 17 -10.704 -11.722 3.741 122 HG1 THR 17 HG1 THR 17 -9.863 -11.134 6.409 123 HG21 THR 17 HG21 THR 17 -7.954 -11.822 4.976 124 HG22 THR 17 HG22 THR 17 -8.337 -12.070 3.273 125 HG23 THR 17 HG23 THR 17 -8.911 -13.219 4.484 126 H GLU 18 HN GLU 18 -11.082 -9.922 2.010 127 HA GLU 18 HA GLU 18 -8.958 -10.289 0.188 128 HB2 GLU 18 HB2 GLU 18 -11.833 -9.535 -0.242 129 HB3 GLU 18 HB1 GLU 18 -10.717 -10.024 -1.494 130 HG2 GLU 18 HG2 GLU 18 -10.517 -12.212 -0.470 131 HG3 GLU 18 HG1 GLU 18 -11.603 -11.704 0.819 132 H GLN 19 HN GLN 19 -10.703 -7.564 1.452 133 HA GLN 19 HA GLN 19 -9.765 -5.587 -0.309 134 HB2 GLN 19 HB2 GLN 19 -10.436 -5.422 2.628 135 HB3 GLN 19 HB1 GLN 19 -10.265 -4.044 1.560 136 HG2 GLN 19 HG2 GLN 19 -12.121 -4.778 0.251 137 HG3 GLN 19 HG1 GLN 19 -12.255 -6.244 1.194 138 HE21 GLN 19 HE21 GLN 19 -14.272 -4.332 0.721 139 HE22 GLN 19 HE22 GLN 19 -14.737 -3.694 2.263 140 H ARG 20 HN ARG 20 -8.432 -6.988 2.639 141 HA ARG 20 HA ARG 20 -6.012 -5.559 2.742 142 HB2 ARG 20 HB2 ARG 20 -6.068 -8.520 3.261 143 HB3 ARG 20 HB1 ARG 20 -5.157 -7.274 4.102 144 HG2 ARG 20 HG2 ARG 20 -7.208 -6.465 5.110 145 HG3 ARG 20 HG1 ARG 20 -8.134 -7.700 4.254 146 HD2 ARG 20 HD2 ARG 20 -7.759 -8.414 6.518 147 HD3 ARG 20 HD1 ARG 20 -6.812 -9.419 5.431 148 HE ARG 20 HE ARG 20 -5.228 -7.287 6.379 149 HH11 ARG 20 HH11 ARG 20 -6.687 -10.279 7.446 150 HH12 ARG 20 HH12 ARG 20 -5.502 -10.569 8.679 151 HH21 ARG 20 HH21 ARG 20 -3.657 -7.661 8.026 152 HH22 ARG 20 HH22 ARG 20 -3.792 -9.099 9.001 153 H ALA 21 HN ALA 21 -6.936 -8.478 1.033 154 HA ALA 21 HA ALA 21 -4.414 -9.154 0.006 155 HB1 ALA 21 HB1 ALA 21 -7.116 -9.851 -1.120 156 HB2 ALA 21 HB2 ALA 21 -6.289 -10.718 0.175 157 HB3 ALA 21 HB3 ALA 21 -5.597 -10.688 -1.448 158 H VAL 22 HN VAL 22 -6.984 -7.200 -1.418 159 HA VAL 22 HA VAL 22 -5.884 -7.237 -4.022 160 HB VAL 22 HB VAL 22 -7.400 -5.253 -4.454 161 HG11 VAL 22 HG11 VAL 22 -8.807 -7.602 -3.202 162 HG12 VAL 22 HG12 VAL 22 -7.984 -7.691 -4.761 163 HG13 VAL 22 HG13 VAL 22 -9.350 -6.593 -4.552 164 HG21 VAL 22 HG21 VAL 22 -7.490 -4.324 -2.221 165 HG22 VAL 22 HG22 VAL 22 -8.203 -5.812 -1.597 166 HG23 VAL 22 HG23 VAL 22 -9.111 -4.804 -2.725 167 H THR 23 HN THR 23 -5.624 -4.760 -1.438 168 HA THR 23 HA THR 23 -3.672 -3.474 -3.165 169 HB THR 23 HB THR 23 -5.102 -1.921 -2.270 170 HG1 THR 23 HG1 THR 23 -3.144 -1.209 -0.558 171 HG21 THR 23 HG21 THR 23 -4.345 -2.744 0.504 172 HG22 THR 23 HG22 THR 23 -5.854 -3.202 -0.280 173 HG23 THR 23 HG23 THR 23 -5.510 -1.502 0.058 174 H ARG 24 HN ARG 24 -3.638 -5.726 -0.597 175 HA ARG 24 HA ARG 24 -0.939 -5.320 0.173 176 HB2 ARG 24 HB2 ARG 24 -2.281 -7.004 1.304 177 HB3 ARG 24 HB1 ARG 24 -2.523 -7.874 -0.200 178 HG2 ARG 24 HG2 ARG 24 0.143 -7.925 -0.109 179 HG3 ARG 24 HG1 ARG 24 -0.202 -7.833 1.621 180 HD2 ARG 24 HD2 ARG 24 -1.584 -9.791 1.502 181 HD3 ARG 24 HD1 ARG 24 -1.442 -9.826 -0.251 182 HE ARG 24 HE ARG 24 0.717 -10.445 1.647 183 HH11 ARG 24 HH11 ARG 24 -0.647 -10.587 -1.585 184 HH12 ARG 24 HH12 ARG 24 0.538 -11.710 -2.165 185 HH21 ARG 24 HH21 ARG 24 2.257 -11.940 0.871 186 HH22 ARG 24 HH22 ARG 24 2.175 -12.492 -0.771 187 H LYS 25 HN LYS 25 -2.497 -6.093 -2.682 188 HA LYS 25 HA LYS 25 -0.117 -6.974 -4.063 189 HB2 LYS 25 HB2 LYS 25 -1.862 -8.253 -4.807 190 HB3 LYS 25 HB1 LYS 25 -3.054 -7.021 -4.470 191 HG2 LYS 25 HG2 LYS 25 -2.977 -7.449 -6.818 192 HG3 LYS 25 HG1 LYS 25 -2.383 -5.828 -6.481 193 HD2 LYS 25 HD2 LYS 25 -0.059 -6.710 -6.643 194 HD3 LYS 25 HD1 LYS 25 -0.730 -8.275 -7.109 195 HE2 LYS 25 HE2 LYS 25 -1.066 -5.674 -8.593 196 HE3 LYS 25 HE1 LYS 25 -0.034 -7.019 -9.069 197 HZ1 LYS 25 HZ1 LYS 25 -2.106 -7.040 -10.292 198 HZ2 LYS 25 HZ2 LYS 25 -2.995 -7.096 -8.857 199 HZ3 LYS 25 HZ3 LYS 25 -2.010 -8.401 -9.293 200 H LEU 26 HN LEU 26 -2.409 -4.237 -3.814 201 HA LEU 26 HA LEU 26 -1.269 -2.769 -5.952 202 HB2 LEU 26 HB2 LEU 26 -3.551 -2.399 -5.316 203 HB3 LEU 26 HB1 LEU 26 -3.072 -1.955 -3.696 204 HG LEU 26 HG LEU 26 -3.784 -0.107 -5.314 205 HD11 LEU 26 HD11 LEU 26 -2.471 1.446 -4.147 206 HD12 LEU 26 HD12 LEU 26 -1.179 0.269 -3.907 207 HD13 LEU 26 HD13 LEU 26 -2.717 0.069 -3.065 208 HD21 LEU 26 HD21 LEU 26 -2.025 0.857 -6.666 209 HD22 LEU 26 HD22 LEU 26 -2.416 -0.779 -7.205 210 HD23 LEU 26 HD23 LEU 26 -0.962 -0.490 -6.249 211 H VAL 27 HN VAL 27 -0.963 -2.291 -2.379 212 HA VAL 27 HA VAL 27 0.856 -0.175 -2.564 213 HB VAL 27 HB VAL 27 -0.081 -0.637 -0.391 214 HG11 VAL 27 HG11 VAL 27 0.671 -2.644 0.902 215 HG12 VAL 27 HG12 VAL 27 1.308 -3.291 -0.613 216 HG13 VAL 27 HG13 VAL 27 -0.417 -2.982 -0.444 217 HG21 VAL 27 HG21 VAL 27 2.159 0.374 -0.413 218 HG22 VAL 27 HG22 VAL 27 2.881 -1.239 -0.346 219 HG23 VAL 27 HG23 VAL 27 1.920 -0.643 1.010 220 H LEU 28 HN LEU 28 1.240 -3.581 -2.640 221 HA LEU 28 HA LEU 28 4.006 -3.858 -2.698 222 HB2 LEU 28 HB2 LEU 28 1.905 -5.518 -2.693 223 HB3 LEU 28 HB1 LEU 28 2.293 -5.581 -4.397 224 HG LEU 28 HG LEU 28 4.444 -6.519 -3.952 225 HD11 LEU 28 HD11 LEU 28 3.803 -5.908 -1.085 226 HD12 LEU 28 HD12 LEU 28 5.122 -5.258 -2.063 227 HD13 LEU 28 HD13 LEU 28 5.127 -6.958 -1.596 228 HD21 LEU 28 HD21 LEU 28 2.232 -7.730 -2.302 229 HD22 LEU 28 HD22 LEU 28 3.775 -8.538 -2.603 230 HD23 LEU 28 HD23 LEU 28 2.705 -8.148 -3.953 231 H ASP 29 HN ASP 29 1.663 -3.457 -5.272 232 HA ASP 29 HA ASP 29 3.463 -3.675 -7.446 233 HB2 ASP 29 HB2 ASP 29 0.943 -3.943 -7.508 234 HB3 ASP 29 HB1 ASP 29 0.838 -2.196 -7.412 235 H GLN 30 HN GLN 30 2.069 -0.964 -5.687 236 HA GLN 30 HA GLN 30 3.241 1.111 -7.137 237 HB2 GLN 30 HB2 GLN 30 2.609 0.984 -4.211 238 HB3 GLN 30 HB1 GLN 30 2.805 2.444 -5.165 239 HG2 GLN 30 HG2 GLN 30 0.613 0.398 -5.426 240 HG3 GLN 30 HG1 GLN 30 0.489 2.047 -4.824 241 HE21 GLN 30 HE21 GLN 30 0.847 0.038 -7.624 242 HE22 GLN 30 HE22 GLN 30 0.482 1.259 -8.796 243 H ALA 31 HN ALA 31 4.303 -0.611 -4.263 244 HA ALA 31 HA ALA 31 6.691 0.810 -3.783 245 HB1 ALA 31 HB1 ALA 31 7.299 -1.099 -2.412 246 HB2 ALA 31 HB2 ALA 31 6.067 -2.089 -3.207 247 HB3 ALA 31 HB3 ALA 31 5.586 -0.728 -2.187 248 H ALA 32 HN ALA 32 5.807 -1.765 -5.873 249 HA ALA 32 HA ALA 32 8.384 -2.569 -6.696 250 HB1 ALA 32 HB1 ALA 32 6.878 -3.324 -8.738 251 HB2 ALA 32 HB2 ALA 32 5.557 -2.899 -7.634 252 HB3 ALA 32 HB3 ALA 32 6.758 -4.120 -7.170 253 H SER 33 HN SER 33 5.966 -0.320 -7.969 254 HA SER 33 HA SER 33 7.329 0.496 -10.270 255 HB2 SER 33 HB2 SER 33 5.039 1.084 -10.037 256 HB3 SER 33 HB1 SER 33 5.313 1.833 -8.465 257 HG SER 33 HG SER 33 5.072 3.230 -10.430 258 H VAL 34 HN VAL 34 7.484 1.574 -6.944 259 HA VAL 34 HA VAL 34 9.134 3.816 -7.259 260 HB VAL 34 HB VAL 34 9.142 1.942 -4.910 261 HG11 VAL 34 HG11 VAL 34 9.508 4.054 -3.653 262 HG12 VAL 34 HG12 VAL 34 9.643 4.893 -5.199 263 HG13 VAL 34 HG13 VAL 34 10.812 3.646 -4.766 264 HG21 VAL 34 HG21 VAL 34 7.301 3.237 -4.008 265 HG22 VAL 34 HG22 VAL 34 6.871 2.382 -5.484 266 HG23 VAL 34 HG23 VAL 34 7.179 4.121 -5.528 267 H LEU 35 HN LEU 35 9.818 0.568 -6.139 268 HA LEU 35 HA LEU 35 12.539 0.957 -5.777 269 HB2 LEU 35 HB2 LEU 35 10.568 -1.138 -5.621 270 HB3 LEU 35 HB1 LEU 35 12.170 -1.743 -6.009 271 HG LEU 35 HG LEU 35 12.973 -1.286 -3.914 272 HD11 LEU 35 HD11 LEU 35 12.713 1.128 -3.949 273 HD12 LEU 35 HD12 LEU 35 12.089 0.498 -2.425 274 HD13 LEU 35 HD13 LEU 35 10.971 0.972 -3.712 275 HD21 LEU 35 HD21 LEU 35 10.009 -1.581 -3.736 276 HD22 LEU 35 HD22 LEU 35 11.018 -1.522 -2.284 277 HD23 LEU 35 HD23 LEU 35 11.265 -2.797 -3.477 278 H GLY 36 HN GLY 36 10.772 -0.190 -8.593 279 HA2 GLY 36 HA2 GLY 36 12.180 0.292 -10.669 280 HA3 GLY 36 HA1 GLY 36 13.362 -0.729 -9.866 281 H TYR 37 HN TYR 37 10.151 -1.642 -9.392 282 HA TYR 37 HA TYR 37 10.728 -4.081 -10.916 283 HB2 TYR 37 HB2 TYR 37 8.671 -3.683 -8.748 284 HB3 TYR 37 HB1 TYR 37 9.298 -5.200 -9.355 285 HD1 TYR 37 HD1 TYR 37 9.175 -4.296 -6.429 286 HD2 TYR 37 HD2 TYR 37 12.213 -4.095 -9.383 287 HE1 TYR 37 HE1 TYR 37 10.870 -4.290 -4.661 288 HE2 TYR 37 HE2 TYR 37 13.920 -4.065 -7.643 289 HH TYR 37 HH TYR 37 14.150 -3.512 -5.270 290 H ALA 38 HN ALA 38 8.839 -5.209 -11.834 291 HA ALA 38 HA ALA 38 6.665 -3.406 -12.634 292 HB1 ALA 38 HB1 ALA 38 6.820 -4.137 -14.944 293 HB2 ALA 38 HB2 ALA 38 8.197 -5.164 -14.543 294 HB3 ALA 38 HB3 ALA 38 8.342 -3.411 -14.425 295 H SER 39 HN SER 39 7.424 -6.111 -11.079 296 HA SER 39 HA SER 39 4.812 -7.293 -11.549 297 HB2 SER 39 HB2 SER 39 5.774 -9.553 -11.890 298 HB3 SER 39 HB1 SER 39 6.216 -8.438 -13.177 299 HG SER 39 HG SER 39 8.116 -8.138 -11.475 300 H THR 40 HN THR 40 6.331 -5.921 -9.393 301 HA THR 40 HA THR 40 7.038 -6.093 -7.238 302 HB THR 40 HB THR 40 5.547 -7.401 -5.731 303 HG1 THR 40 HG1 THR 40 4.948 -8.686 -8.023 304 HG21 THR 40 HG21 THR 40 4.216 -5.674 -7.807 305 HG22 THR 40 HG22 THR 40 4.977 -5.129 -6.308 306 HG23 THR 40 HG23 THR 40 3.507 -6.107 -6.252 307 H GLU 41 HN GLU 41 8.468 -7.749 -9.050 308 HA GLU 41 HA GLU 41 8.893 -10.352 -8.349 309 HB2 GLU 41 HB2 GLU 41 11.346 -9.892 -9.035 310 HB3 GLU 41 HB1 GLU 41 10.066 -9.662 -10.213 311 HG2 GLU 41 HG2 GLU 41 10.823 -7.287 -8.640 312 HG3 GLU 41 HG1 GLU 41 12.016 -7.888 -9.792 313 H SER 42 HN SER 42 11.202 -7.889 -7.152 314 HA SER 42 HA SER 42 11.815 -9.715 -4.976 315 HB2 SER 42 HB2 SER 42 13.639 -8.756 -6.371 316 HB3 SER 42 HB1 SER 42 13.228 -7.156 -5.756 317 HG SER 42 HG SER 42 14.113 -7.631 -3.875 318 H LEU 43 HN LEU 43 9.360 -8.686 -4.544 319 HA LEU 43 HA LEU 43 9.882 -6.899 -2.274 320 HB2 LEU 43 HB2 LEU 43 7.374 -7.409 -3.847 321 HB3 LEU 43 HB1 LEU 43 7.417 -6.484 -2.358 322 HG LEU 43 HG LEU 43 9.023 -5.763 -4.798 323 HD11 LEU 43 HD11 LEU 43 7.336 -4.046 -5.163 324 HD12 LEU 43 HD12 LEU 43 6.368 -4.733 -3.855 325 HD13 LEU 43 HD13 LEU 43 6.676 -5.676 -5.314 326 HD21 LEU 43 HD21 LEU 43 9.167 -3.599 -3.646 327 HD22 LEU 43 HD22 LEU 43 9.900 -4.906 -2.715 328 HD23 LEU 43 HD23 LEU 43 8.305 -4.292 -2.274 329 H ASP 44 HN ASP 44 8.425 -7.204 -0.432 330 HA ASP 44 HA ASP 44 7.370 -9.902 -0.073 331 HB2 ASP 44 HB2 ASP 44 9.806 -9.448 1.000 332 HB3 ASP 44 HB1 ASP 44 8.808 -8.730 2.256 333 H THR 45 HN THR 45 5.663 -9.960 1.426 334 HA THR 45 HA THR 45 4.653 -7.307 2.175 335 HB THR 45 HB THR 45 2.482 -8.559 2.565 336 HG1 THR 45 HG1 THR 45 3.749 -10.555 0.976 337 HG21 THR 45 HG21 THR 45 3.684 -8.452 -0.195 338 HG22 THR 45 HG22 THR 45 2.760 -7.187 0.620 339 HG23 THR 45 HG23 THR 45 1.969 -8.688 0.140 340 H HIS 46 HN HIS 46 6.252 -9.935 3.424 341 HA HIS 46 HA HIS 46 5.107 -9.567 6.107 342 HB2 HIS 46 HB2 HIS 46 6.928 -11.726 5.014 343 HB3 HIS 46 HB1 HIS 46 6.389 -11.630 6.681 344 HD1 HIS 46 HD1 HIS 46 4.639 -13.301 7.090 345 HD2 HIS 46 HD2 HIS 46 4.342 -11.651 3.288 346 HE1 HIS 46 HE1 HIS 46 2.652 -14.414 6.024 347 HE2 HIS 46 HE2 HIS 46 2.561 -13.485 3.686 348 H GLU 47 HN GLU 47 7.431 -8.299 4.227 349 HA GLU 47 HA GLU 47 9.244 -7.845 6.486 350 HB2 GLU 47 HB2 GLU 47 11.029 -8.416 5.262 351 HB3 GLU 47 HB1 GLU 47 9.896 -9.134 4.135 352 HG2 GLU 47 HG2 GLU 47 9.881 -7.027 2.848 353 HG3 GLU 47 HG1 GLU 47 11.074 -6.366 3.969 354 H SER 48 HN SER 48 10.205 -5.715 6.524 355 HA SER 48 HA SER 48 8.067 -3.851 5.938 356 HB2 SER 48 HB2 SER 48 10.607 -3.177 7.399 357 HB3 SER 48 HB1 SER 48 8.998 -2.490 7.588 358 HG SER 48 HG SER 48 8.788 -5.074 8.073 359 H PHE 49 HN PHE 49 8.321 -1.888 4.917 360 HA PHE 49 HA PHE 49 9.657 -1.832 2.500 361 HB2 PHE 49 HB2 PHE 49 8.723 0.504 4.148 362 HB3 PHE 49 HB1 PHE 49 9.172 0.587 2.451 363 HD1 PHE 49 HD1 PHE 49 7.722 -0.268 0.742 364 HD2 PHE 49 HD2 PHE 49 6.702 -0.589 4.851 365 HE1 PHE 49 HE1 PHE 49 5.405 -0.809 0.120 366 HE2 PHE 49 HE2 PHE 49 4.393 -1.126 4.243 367 HZ PHE 49 HZ PHE 49 3.740 -1.239 1.884 368 H LYS 50 HN LYS 50 10.723 -0.738 5.615 369 HA LYS 50 HA LYS 50 13.047 0.556 5.178 370 HB2 LYS 50 HB2 LYS 50 12.069 -0.336 7.347 371 HB3 LYS 50 HB1 LYS 50 12.833 -1.863 6.954 372 HG2 LYS 50 HG2 LYS 50 14.437 -1.036 8.231 373 HG3 LYS 50 HG1 LYS 50 14.956 -0.272 6.739 374 HD2 LYS 50 HD2 LYS 50 13.346 0.945 8.978 375 HD3 LYS 50 HD1 LYS 50 15.000 1.347 8.519 376 HE2 LYS 50 HE2 LYS 50 14.245 2.260 6.427 377 HE3 LYS 50 HE1 LYS 50 12.601 1.716 6.751 378 HZ1 LYS 50 HZ1 LYS 50 14.068 3.703 8.392 379 HZ2 LYS 50 HZ2 LYS 50 12.455 3.241 8.582 380 HZ3 LYS 50 HZ3 LYS 50 12.935 4.095 7.205 381 H ASP 51 HN ASP 51 12.657 -2.940 5.161 382 HA ASP 51 HA ASP 51 15.278 -3.490 4.232 383 HB2 ASP 51 HB2 ASP 51 13.677 -5.025 5.521 384 HB3 ASP 51 HB1 ASP 51 12.954 -5.363 3.955 385 H LEU 52 HN LEU 52 12.284 -2.774 2.674 386 HA LEU 52 HA LEU 52 12.951 -3.779 0.090 387 HB2 LEU 52 HB2 LEU 52 10.854 -1.948 1.174 388 HB3 LEU 52 HB1 LEU 52 11.050 -2.116 -0.543 389 HG LEU 52 HG LEU 52 10.557 -4.522 -0.380 390 HD11 LEU 52 HD11 LEU 52 11.376 -4.992 1.822 391 HD12 LEU 52 HD12 LEU 52 9.658 -5.394 1.743 392 HD13 LEU 52 HD13 LEU 52 10.183 -3.906 2.531 393 HD21 LEU 52 HD21 LEU 52 8.690 -3.074 -0.794 394 HD22 LEU 52 HD22 LEU 52 8.541 -2.718 0.928 395 HD23 LEU 52 HD23 LEU 52 8.200 -4.344 0.335 396 H GLY 53 HN GLY 53 13.786 -1.043 1.906 397 HA2 GLY 53 HA2 GLY 53 15.709 0.178 1.233 398 HA3 GLY 53 HA1 GLY 53 15.205 0.013 -0.435 399 H PHE 54 HN PHE 54 12.594 0.793 1.609 400 HA PHE 54 HA PHE 54 12.441 3.379 0.417 401 HB2 PHE 54 HB2 PHE 54 10.691 1.963 2.425 402 HB3 PHE 54 HB1 PHE 54 10.354 3.573 1.799 403 HD1 PHE 54 HD1 PHE 54 9.617 3.919 -0.419 404 HD2 PHE 54 HD2 PHE 54 10.573 0.021 0.963 405 HE1 PHE 54 HE1 PHE 54 8.543 2.972 -2.395 406 HE2 PHE 54 HE2 PHE 54 9.504 -0.955 -1.010 407 HZ PHE 54 HZ PHE 54 8.493 0.518 -2.724 408 H ASP 55 HN ASP 55 12.851 5.305 1.205 409 HA ASP 55 HA ASP 55 13.090 5.736 4.093 410 HB2 ASP 55 HB2 ASP 55 15.397 5.361 2.901 411 HB3 ASP 55 HB1 ASP 55 15.127 6.988 2.277 412 H SER 56 HN SER 56 14.179 8.460 3.519 413 HA SER 56 HA SER 56 11.633 9.763 3.256 414 HB2 SER 56 HB2 SER 56 14.337 11.095 3.398 415 HB3 SER 56 HB1 SER 56 12.784 11.720 3.954 416 HG SER 56 HG SER 56 14.328 9.613 5.065 417 H LEU 57 HN LEU 57 12.459 8.420 0.903 418 HA LEU 57 HA LEU 57 12.309 10.582 -1.033 419 HB2 LEU 57 HB2 LEU 57 14.107 8.199 -1.284 420 HB3 LEU 57 HB1 LEU 57 13.954 9.501 -2.445 421 HG LEU 57 HG LEU 57 14.985 9.857 0.360 422 HD11 LEU 57 HD11 LEU 57 16.520 9.478 -2.205 423 HD12 LEU 57 HD12 LEU 57 16.454 8.359 -0.844 424 HD13 LEU 57 HD13 LEU 57 17.217 9.936 -0.652 425 HD21 LEU 57 HD21 LEU 57 14.107 11.880 -0.632 426 HD22 LEU 57 HD22 LEU 57 15.076 11.622 -2.083 427 HD23 LEU 57 HD23 LEU 57 15.868 11.968 -0.545 428 H THR 58 HN THR 58 12.678 7.065 -0.977 429 HA THR 58 HA THR 58 10.884 6.644 -3.117 430 HB THR 58 HB THR 58 11.083 4.199 -2.291 431 HG1 THR 58 HG1 THR 58 13.395 4.712 -0.994 432 HG21 THR 58 HG21 THR 58 12.338 5.141 -4.181 433 HG22 THR 58 HG22 THR 58 13.308 3.991 -3.260 434 HG23 THR 58 HG23 THR 58 13.571 5.725 -3.063 435 H ALA 59 HN ALA 59 10.576 6.223 0.396 436 HA ALA 59 HA ALA 59 8.033 5.138 0.493 437 HB1 ALA 59 HB1 ALA 59 7.880 6.007 2.740 438 HB2 ALA 59 HB2 ALA 59 9.110 7.226 2.398 439 HB3 ALA 59 HB3 ALA 59 9.555 5.522 2.456 440 H LEU 60 HN LEU 60 9.125 8.378 -0.059 441 HA LEU 60 HA LEU 60 6.677 9.708 0.298 442 HB2 LEU 60 HB2 LEU 60 9.180 10.410 -1.213 443 HB3 LEU 60 HB1 LEU 60 7.822 11.507 -1.078 444 HG LEU 60 HG LEU 60 9.625 12.025 0.536 445 HD11 LEU 60 HD11 LEU 60 7.328 12.632 1.054 446 HD12 LEU 60 HD12 LEU 60 8.233 12.206 2.508 447 HD13 LEU 60 HD13 LEU 60 7.086 11.060 1.819 448 HD21 LEU 60 HD21 LEU 60 8.928 9.343 1.717 449 HD22 LEU 60 HD22 LEU 60 9.939 10.565 2.486 450 HD23 LEU 60 HD23 LEU 60 10.471 9.798 0.989 451 H GLU 61 HN GLU 61 8.324 8.589 -2.682 452 HA GLU 61 HA GLU 61 6.093 9.360 -4.302 453 HB2 GLU 61 HB2 GLU 61 7.220 7.851 -6.039 454 HB3 GLU 61 HB1 GLU 61 8.092 9.288 -5.509 455 HG2 GLU 61 HG2 GLU 61 9.458 7.930 -4.037 456 HG3 GLU 61 HG1 GLU 61 8.548 6.496 -4.501 457 H LEU 62 HN LEU 62 7.006 6.445 -2.601 458 HA LEU 62 HA LEU 62 5.034 4.741 -3.732 459 HB2 LEU 62 HB2 LEU 62 6.791 3.816 -2.367 460 HB3 LEU 62 HB1 LEU 62 6.269 4.766 -0.992 461 HG LEU 62 HG LEU 62 4.154 3.535 -0.925 462 HD11 LEU 62 HD11 LEU 62 3.909 1.514 -2.301 463 HD12 LEU 62 HD12 LEU 62 5.347 1.987 -3.203 464 HD13 LEU 62 HD13 LEU 62 3.907 3.005 -3.245 465 HD21 LEU 62 HD21 LEU 62 6.522 1.694 -0.989 466 HD22 LEU 62 HD22 LEU 62 5.033 1.498 -0.059 467 HD23 LEU 62 HD23 LEU 62 6.153 2.807 0.326 468 H ARG 63 HN ARG 63 5.065 6.787 -0.863 469 HA ARG 63 HA ARG 63 2.474 6.338 0.054 470 HB2 ARG 63 HB2 ARG 63 3.933 7.563 1.444 471 HB3 ARG 63 HB1 ARG 63 4.403 8.649 0.146 472 HG2 ARG 63 HG2 ARG 63 1.913 9.394 0.213 473 HG3 ARG 63 HG1 ARG 63 1.944 8.686 1.829 474 HD2 ARG 63 HD2 ARG 63 2.438 11.076 1.889 475 HD3 ARG 63 HD1 ARG 63 3.808 10.118 2.440 476 HE ARG 63 HE ARG 63 4.538 10.455 -0.047 477 HH11 ARG 63 HH11 ARG 63 2.969 12.790 2.033 478 HH12 ARG 63 HH12 ARG 63 3.719 14.159 1.279 479 HH21 ARG 63 HH21 ARG 63 5.523 12.266 -1.058 480 HH22 ARG 63 HH22 ARG 63 5.178 13.860 -0.470 481 H ASP 64 HN ASP 64 3.850 8.654 -2.193 482 HA ASP 64 HA ASP 64 1.613 10.002 -3.071 483 HB2 ASP 64 HB2 ASP 64 4.040 10.443 -3.596 484 HB3 ASP 64 HB1 ASP 64 3.933 9.149 -4.777 485 H HIS 65 HN HIS 65 3.013 6.952 -4.180 486 HA HIS 65 HA HIS 65 1.263 6.444 -6.299 487 HB2 HIS 65 HB2 HIS 65 2.823 4.605 -4.524 488 HB3 HIS 65 HB1 HIS 65 1.896 4.038 -5.891 489 HD1 HIS 65 HD1 HIS 65 2.893 6.607 -7.701 490 HD2 HIS 65 HD2 HIS 65 5.166 3.818 -5.661 491 HE1 HIS 65 HE1 HIS 65 5.172 6.638 -8.785 492 HE2 HIS 65 HE2 HIS 65 6.455 4.817 -7.660 493 H LEU 66 HN LEU 66 1.048 5.537 -2.847 494 HA LEU 66 HA LEU 66 -1.155 3.804 -3.188 495 HB2 LEU 66 HB2 LEU 66 0.077 5.221 -0.880 496 HB3 LEU 66 HB1 LEU 66 -1.454 4.406 -0.663 497 HG LEU 66 HG LEU 66 -0.532 2.296 -0.882 498 HD11 LEU 66 HD11 LEU 66 1.617 1.799 -1.918 499 HD12 LEU 66 HD12 LEU 66 1.857 3.514 -2.255 500 HD13 LEU 66 HD13 LEU 66 0.549 2.634 -3.044 501 HD21 LEU 66 HD21 LEU 66 0.304 3.299 1.122 502 HD22 LEU 66 HD22 LEU 66 1.636 4.043 0.240 503 HD23 LEU 66 HD23 LEU 66 1.569 2.290 0.421 504 H GLN 67 HN GLN 67 -0.943 7.217 -2.387 505 HA GLN 67 HA GLN 67 -3.729 7.543 -1.841 506 HB2 GLN 67 HB2 GLN 67 -1.924 9.750 -2.769 507 HB3 GLN 67 HB1 GLN 67 -3.275 9.839 -1.649 508 HG2 GLN 67 HG2 GLN 67 -2.072 8.958 0.090 509 HG3 GLN 67 HG1 GLN 67 -0.943 8.153 -0.998 510 HE21 GLN 67 HE21 GLN 67 -0.395 10.406 -2.634 511 HE22 GLN 67 HE22 GLN 67 0.560 11.497 -1.708 512 H THR 68 HN THR 68 -1.721 7.789 -4.683 513 HA THR 68 HA THR 68 -3.757 8.789 -6.380 514 HB THR 68 HB THR 68 -0.991 7.819 -6.562 515 HG1 THR 68 HG1 THR 68 -0.926 9.904 -6.827 516 HG21 THR 68 HG21 THR 68 -1.044 7.661 -9.038 517 HG22 THR 68 HG22 THR 68 -2.807 7.694 -8.971 518 HG23 THR 68 HG23 THR 68 -1.918 6.358 -8.236 519 H ALA 69 HN ALA 69 -2.361 5.666 -5.733 520 HA ALA 69 HA ALA 69 -3.894 4.072 -7.391 521 HB1 ALA 69 HB1 ALA 69 -3.271 2.250 -5.875 522 HB2 ALA 69 HB2 ALA 69 -2.681 3.451 -4.723 523 HB3 ALA 69 HB3 ALA 69 -1.910 3.288 -6.300 524 H THR 70 HN THR 70 -4.473 4.929 -3.982 525 HA THR 70 HA THR 70 -6.964 3.430 -4.027 526 HB THR 70 HB THR 70 -7.078 3.852 -1.632 527 HG1 THR 70 HG1 THR 70 -4.622 5.266 -1.780 528 HG21 THR 70 HG21 THR 70 -4.238 3.213 -2.410 529 HG22 THR 70 HG22 THR 70 -5.578 2.068 -2.521 530 HG23 THR 70 HG23 THR 70 -5.083 2.699 -0.950 531 H GLY 71 HN GLY 71 -5.813 6.699 -3.877 532 HA2 GLY 71 HA2 GLY 71 -6.974 8.655 -4.375 533 HA3 GLY 71 HA1 GLY 71 -8.470 7.729 -4.404 534 H LEU 72 HN LEU 72 -6.593 7.042 -1.728 535 HA LEU 72 HA LEU 72 -8.361 8.601 0.011 536 HB2 LEU 72 HB2 LEU 72 -6.694 6.127 0.380 537 HB3 LEU 72 HB1 LEU 72 -7.268 7.032 1.762 538 HG LEU 72 HG LEU 72 -8.673 5.072 1.244 539 HD11 LEU 72 HD11 LEU 72 -10.115 7.681 0.814 540 HD12 LEU 72 HD12 LEU 72 -9.628 7.026 2.376 541 HD13 LEU 72 HD13 LEU 72 -10.816 6.168 1.398 542 HD21 LEU 72 HD21 LEU 72 -9.311 6.529 -1.307 543 HD22 LEU 72 HD22 LEU 72 -10.154 5.104 -0.700 544 HD23 LEU 72 HD23 LEU 72 -8.457 4.996 -1.159 545 H ASN 73 HN ASN 73 -6.791 8.657 2.294 546 HA ASN 73 HA ASN 73 -4.730 10.580 1.449 547 HB2 ASN 73 HB2 ASN 73 -6.814 11.625 2.367 548 HB3 ASN 73 HB1 ASN 73 -6.499 10.801 3.892 549 HD21 ASN 73 HD21 ASN 73 -5.494 13.326 1.740 550 HD22 ASN 73 HD22 ASN 73 -4.437 14.129 2.847 551 H LEU 74 HN LEU 74 -2.896 9.420 1.779 552 HA LEU 74 HA LEU 74 -2.593 8.015 4.311 553 HB2 LEU 74 HB2 LEU 74 -1.012 7.864 1.754 554 HB3 LEU 74 HB1 LEU 74 -0.600 6.990 3.223 555 HG LEU 74 HG LEU 74 -3.063 6.089 2.995 556 HD11 LEU 74 HD11 LEU 74 -3.582 7.546 1.042 557 HD12 LEU 74 HD12 LEU 74 -3.836 5.827 0.745 558 HD13 LEU 74 HD13 LEU 74 -2.395 6.632 0.106 559 HD21 LEU 74 HD21 LEU 74 -1.258 4.606 3.020 560 HD22 LEU 74 HD22 LEU 74 -0.645 5.200 1.476 561 HD23 LEU 74 HD23 LEU 74 -2.134 4.260 1.529 562 H SER 75 HN SER 75 0.420 8.165 4.229 563 HA SER 75 HA SER 75 0.654 10.953 5.090 564 HB2 SER 75 HB2 SER 75 -0.271 9.691 7.016 565 HB3 SER 75 HB1 SER 75 1.146 8.646 6.983 566 HG SER 75 HG SER 75 0.854 11.196 7.959 567 H SER 76 HN SER 76 2.933 11.377 6.018 568 HA SER 76 HA SER 76 4.764 10.813 3.949 569 HB2 SER 76 HB2 SER 76 4.831 12.866 5.332 570 HB3 SER 76 HB1 SER 76 5.339 11.900 6.715 571 HG SER 76 HG SER 76 6.755 12.640 4.422 572 H THR 77 HN THR 77 4.513 9.558 7.256 573 HA THR 77 HA THR 77 6.750 7.729 6.724 574 HB THR 77 HB THR 77 6.584 7.308 9.233 575 HG1 THR 77 HG1 THR 77 4.776 8.146 10.014 576 HG21 THR 77 HG21 THR 77 7.798 9.373 9.777 577 HG22 THR 77 HG22 THR 77 7.243 10.087 8.262 578 HG23 THR 77 HG23 THR 77 8.323 8.693 8.235 579 H LEU 78 HN LEU 78 4.149 7.512 5.661 580 HA LEU 78 HA LEU 78 2.273 5.919 6.797 581 HB2 LEU 78 HB2 LEU 78 2.204 7.067 4.621 582 HB3 LEU 78 HB1 LEU 78 3.312 5.888 3.979 583 HG LEU 78 HG LEU 78 0.724 5.801 3.521 584 HD11 LEU 78 HD11 LEU 78 2.202 4.356 2.424 585 HD12 LEU 78 HD12 LEU 78 0.971 3.339 3.188 586 HD13 LEU 78 HD13 LEU 78 2.570 3.483 3.919 587 HD21 LEU 78 HD21 LEU 78 -0.142 5.613 5.669 588 HD22 LEU 78 HD22 LEU 78 1.064 4.418 6.149 589 HD23 LEU 78 HD23 LEU 78 -0.217 3.974 5.018 590 H ILE 79 HN ILE 79 4.909 4.694 4.748 591 HA ILE 79 HA ILE 79 4.371 1.965 5.490 592 HB ILE 79 HB ILE 79 6.208 1.411 4.017 593 HG12 ILE 79 HG12 ILE 79 6.731 4.372 4.058 594 HG13 ILE 79 HG11 ILE 79 7.841 3.074 4.488 595 HG21 ILE 79 HG21 ILE 79 4.483 3.619 2.918 596 HG22 ILE 79 HG22 ILE 79 4.073 1.901 2.988 597 HG23 ILE 79 HG23 ILE 79 5.400 2.452 1.963 598 HD11 ILE 79 HD11 ILE 79 8.523 3.845 2.385 599 HD12 ILE 79 HD12 ILE 79 6.864 3.896 1.787 600 HD13 ILE 79 HD13 ILE 79 7.654 2.338 2.069 601 H PHE 80 HN PHE 80 5.726 4.174 7.353 602 HA PHE 80 HA PHE 80 7.650 2.246 8.475 603 HB2 PHE 80 HB2 PHE 80 7.720 5.266 8.597 604 HB3 PHE 80 HB1 PHE 80 8.843 4.200 9.433 605 HD1 PHE 80 HD1 PHE 80 9.028 6.378 7.028 606 HD2 PHE 80 HD2 PHE 80 9.316 2.151 7.382 607 HE1 PHE 80 HE1 PHE 80 10.396 6.305 4.991 608 HE2 PHE 80 HE2 PHE 80 10.685 2.047 5.341 609 HZ PHE 80 HZ PHE 80 11.235 4.142 4.144 610 H ASP 81 HN ASP 81 4.865 4.043 8.804 611 HA ASP 81 HA ASP 81 4.578 3.629 11.646 612 HB2 ASP 81 HB2 ASP 81 3.138 5.013 9.475 613 HB3 ASP 81 HB1 ASP 81 2.101 4.277 10.688 614 H HIS 82 HN HIS 82 3.584 2.370 8.570 615 HA HIS 82 HA HIS 82 2.594 -0.062 9.864 616 HB2 HIS 82 HB2 HIS 82 1.803 0.961 7.129 617 HB3 HIS 82 HB1 HIS 82 1.048 -0.327 8.054 618 HD1 HIS 82 HD1 HIS 82 -0.374 0.402 10.150 619 HD2 HIS 82 HD2 HIS 82 0.975 3.518 7.753 620 HE1 HIS 82 HE1 HIS 82 -1.614 2.437 10.936 621 HE2 HIS 82 HE2 HIS 82 -0.583 4.343 9.650 622 HA PRO 83 HA PRO 83 6.604 -0.973 8.468 623 HB2 PRO 83 HB2 PRO 83 6.610 -3.658 9.055 624 HB3 PRO 83 HB1 PRO 83 6.827 -2.374 10.249 625 HG2 PRO 83 HG2 PRO 83 4.339 -3.893 9.531 626 HG3 PRO 83 HG1 PRO 83 4.962 -3.450 11.136 627 HD2 PRO 83 HD2 PRO 83 2.991 -2.049 9.984 628 HD3 PRO 83 HD1 PRO 83 4.245 -1.249 10.938 629 H THR 84 HN THR 84 4.056 -3.197 7.346 630 HA THR 84 HA THR 84 5.765 -3.783 5.042 631 HB THR 84 HB THR 84 4.746 -5.995 4.973 632 HG1 THR 84 HG1 THR 84 3.588 -6.336 7.245 633 HG21 THR 84 HG21 THR 84 6.795 -5.692 6.297 634 HG22 THR 84 HG22 THR 84 5.756 -6.931 7.003 635 HG23 THR 84 HG23 THR 84 5.821 -5.320 7.720 636 HA PRO 85 HA PRO 85 2.476 -2.585 2.306 637 HB2 PRO 85 HB2 PRO 85 2.819 -5.207 0.971 638 HB3 PRO 85 HB1 PRO 85 2.933 -3.587 0.286 639 HG2 PRO 85 HG2 PRO 85 5.106 -5.109 0.707 640 HG3 PRO 85 HG1 PRO 85 5.140 -3.345 0.873 641 HD2 PRO 85 HD2 PRO 85 5.108 -5.440 2.978 642 HD3 PRO 85 HD1 PRO 85 5.879 -3.849 2.986 643 H HIS 86 HN HIS 86 2.621 -5.477 4.046 644 HA HIS 86 HA HIS 86 -0.101 -6.315 3.657 645 HB2 HIS 86 HB2 HIS 86 1.206 -8.071 4.377 646 HB3 HIS 86 HB1 HIS 86 2.181 -7.061 5.421 647 HD1 HIS 86 HD1 HIS 86 -0.641 -9.399 5.467 648 HD2 HIS 86 HD2 HIS 86 0.893 -6.414 7.931 649 HE1 HIS 86 HE1 HIS 86 -1.638 -9.822 7.737 650 HE2 HIS 86 HE2 HIS 86 -0.801 -7.932 9.179 651 H ALA 87 HN ALA 87 1.711 -4.563 6.110 652 HA ALA 87 HA ALA 87 -0.512 -4.078 7.835 653 HB1 ALA 87 HB1 ALA 87 2.130 -2.625 7.704 654 HB2 ALA 87 HB2 ALA 87 1.850 -4.115 8.605 655 HB3 ALA 87 HB3 ALA 87 1.004 -2.638 9.061 656 H VAL 88 HN VAL 88 0.847 -2.633 5.110 657 HA VAL 88 HA VAL 88 -0.352 -0.034 5.510 658 HB VAL 88 HB VAL 88 1.178 -1.257 3.237 659 HG11 VAL 88 HG11 VAL 88 1.240 1.015 2.270 660 HG12 VAL 88 HG12 VAL 88 0.065 1.520 3.486 661 HG13 VAL 88 HG13 VAL 88 -0.371 0.296 2.294 662 HG21 VAL 88 HG21 VAL 88 2.919 0.350 3.889 663 HG22 VAL 88 HG22 VAL 88 2.529 -0.785 5.182 664 HG23 VAL 88 HG23 VAL 88 1.911 0.871 5.239 665 H ALA 89 HN ALA 89 -0.791 -2.822 3.386 666 HA ALA 89 HA ALA 89 -2.909 -1.761 1.897 667 HB1 ALA 89 HB1 ALA 89 -1.777 -3.772 1.192 668 HB2 ALA 89 HB2 ALA 89 -3.502 -4.084 1.371 669 HB3 ALA 89 HB3 ALA 89 -2.371 -4.639 2.609 670 H GLU 90 HN GLU 90 -2.913 -3.568 4.997 671 HA GLU 90 HA GLU 90 -5.784 -3.510 5.101 672 HB2 GLU 90 HB2 GLU 90 -5.455 -4.208 7.481 673 HB3 GLU 90 HB1 GLU 90 -4.701 -5.262 6.291 674 HG2 GLU 90 HG2 GLU 90 -2.554 -4.302 6.735 675 HG3 GLU 90 HG1 GLU 90 -3.262 -3.135 7.847 676 H HIS 91 HN HIS 91 -3.210 -1.415 6.016 677 HA HIS 91 HA HIS 91 -4.689 0.371 7.593 678 HB2 HIS 91 HB2 HIS 91 -2.331 0.570 7.690 679 HB3 HIS 91 HB1 HIS 91 -2.192 0.695 5.935 680 HD1 HIS 91 HD1 HIS 91 -3.471 2.703 8.905 681 HD2 HIS 91 HD2 HIS 91 -2.284 3.197 4.953 682 HE1 HIS 91 HE1 HIS 91 -3.451 5.187 8.517 683 HE2 HIS 91 HE2 HIS 91 -2.834 5.471 6.095 684 H LEU 92 HN LEU 92 -4.483 -0.197 4.189 685 HA LEU 92 HA LEU 92 -5.674 2.271 3.406 686 HB2 LEU 92 HB2 LEU 92 -4.876 -0.253 2.057 687 HB3 LEU 92 HB1 LEU 92 -6.100 0.733 1.269 688 HG LEU 92 HG LEU 92 -4.638 2.507 0.910 689 HD11 LEU 92 HD11 LEU 92 -3.710 2.975 2.995 690 HD12 LEU 92 HD12 LEU 92 -2.320 2.497 2.014 691 HD13 LEU 92 HD13 LEU 92 -3.028 1.356 3.154 692 HD21 LEU 92 HD21 LEU 92 -2.900 0.058 0.771 693 HD22 LEU 92 HD22 LEU 92 -2.636 1.573 -0.092 694 HD23 LEU 92 HD23 LEU 92 -4.047 0.583 -0.463 695 H LEU 93 HN LEU 93 -6.816 -0.538 4.792 696 HA LEU 93 HA LEU 93 -9.524 -0.427 3.792 697 HB2 LEU 93 HB2 LEU 93 -8.224 -1.910 6.044 698 HB3 LEU 93 HB1 LEU 93 -9.958 -1.930 5.817 699 HG LEU 93 HG LEU 93 -9.809 -3.201 3.860 700 HD11 LEU 93 HD11 LEU 93 -6.875 -2.507 3.806 701 HD12 LEU 93 HD12 LEU 93 -8.118 -1.980 2.666 702 HD13 LEU 93 HD13 LEU 93 -7.651 -3.682 2.736 703 HD21 LEU 93 HD21 LEU 93 -7.580 -4.111 5.665 704 HD22 LEU 93 HD22 LEU 93 -8.462 -5.113 4.507 705 HD23 LEU 93 HD23 LEU 93 -9.299 -4.434 5.904 706 H GLU 94 HN GLU 94 -7.647 0.737 6.393 707 HA GLU 94 HA GLU 94 -9.592 1.629 8.183 708 HB2 GLU 94 HB2 GLU 94 -6.832 2.604 7.485 709 HB3 GLU 94 HB1 GLU 94 -7.751 3.249 8.850 710 HG2 GLU 94 HG2 GLU 94 -6.943 0.372 8.475 711 HG3 GLU 94 HG1 GLU 94 -6.113 1.537 9.504 712 H GLN 95 HN GLN 95 -8.411 2.886 5.181 713 HA GLN 95 HA GLN 95 -9.468 5.533 5.489 714 HB2 GLN 95 HB2 GLN 95 -8.651 4.209 2.919 715 HB3 GLN 95 HB1 GLN 95 -8.489 5.897 3.381 716 HG2 GLN 95 HG2 GLN 95 -6.957 3.667 4.682 717 HG3 GLN 95 HG1 GLN 95 -6.358 4.589 3.310 718 HE21 GLN 95 HE21 GLN 95 -5.426 4.285 6.061 719 HE22 GLN 95 HE22 GLN 95 -5.296 5.889 6.699 720 H ILE 96 HN ILE 96 -10.618 2.485 4.553 721 HA ILE 96 HA ILE 96 -12.436 3.284 2.511 722 HB ILE 96 HB ILE 96 -12.115 0.688 3.987 723 HG12 ILE 96 HG12 ILE 96 -10.091 1.572 2.931 724 HG13 ILE 96 HG11 ILE 96 -10.632 0.089 2.185 725 HG21 ILE 96 HG21 ILE 96 -13.194 -0.399 2.179 726 HG22 ILE 96 HG22 ILE 96 -13.275 1.098 1.255 727 HG23 ILE 96 HG23 ILE 96 -14.251 0.908 2.713 728 HD11 ILE 96 HD11 ILE 96 -9.827 1.863 0.612 729 HD12 ILE 96 HD12 ILE 96 -11.238 2.821 1.090 730 HD13 ILE 96 HD13 ILE 96 -11.458 1.264 0.290 731 HA PRO 97 HA PRO 97 -15.868 4.417 4.938 732 HB2 PRO 97 HB2 PRO 97 -17.737 4.434 3.047 733 HB3 PRO 97 HB1 PRO 97 -16.343 5.521 2.958 734 HG2 PRO 97 HG2 PRO 97 -16.726 2.861 1.628 735 HG3 PRO 97 HG1 PRO 97 -16.235 4.392 0.897 736 HD2 PRO 97 HD2 PRO 97 -14.449 2.518 1.613 737 HD3 PRO 97 HD1 PRO 97 -14.099 4.240 1.730 738 H GLY 98 HN GLY 98 -15.959 2.431 6.298 739 HA2 GLY 98 HA2 GLY 98 -17.476 1.058 7.384 740 HA3 GLY 98 HA1 GLY 98 -18.608 1.335 6.073 741 H ILE 99 HN ILE 99 -17.643 0.299 3.913 742 HA ILE 99 HA ILE 99 -17.863 -2.460 4.086 743 HB ILE 99 HB ILE 99 -16.440 -2.319 1.839 744 HG12 ILE 99 HG12 ILE 99 -17.564 0.434 1.782 745 HG13 ILE 99 HG11 ILE 99 -16.046 0.198 2.637 746 HG21 ILE 99 HG21 ILE 99 -18.508 -1.826 0.640 747 HG22 ILE 99 HG22 ILE 99 -19.228 -1.213 2.126 748 HG23 ILE 99 HG23 ILE 99 -18.798 -2.917 1.995 749 HD11 ILE 99 HD11 ILE 99 -15.646 0.905 0.375 750 HD12 ILE 99 HD12 ILE 99 -16.588 -0.460 -0.246 751 HD13 ILE 99 HD13 ILE 99 -15.067 -0.748 0.612 752 H GLY 100 HN GLY 100 -15.037 -0.438 4.397 753 HA2 GLY 100 HA2 GLY 100 -13.405 -2.845 4.871 754 HA3 GLY 100 HA1 GLY 100 -12.772 -1.364 4.153 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 -10.864 12.998 0.603 2 H2 GLY 1 HT2 GLY 1 -11.176 14.628 0.289 3 H3 GLY 1 HT3 GLY 1 -9.604 14.123 0.654 4 HA2 GLY 1 HA1 GLY 1 -9.824 14.537 -1.704 5 HA3 GLY 1 HA2 GLY 1 -9.498 12.841 -1.375 6 H SER 2 HN SER 2 -10.763 14.037 -3.702 7 HA SER 2 HA SER 2 -13.575 13.375 -3.482 8 HB2 SER 2 HB2 SER 2 -12.797 15.330 -4.812 9 HB3 SER 2 HB1 SER 2 -11.969 14.225 -5.906 10 HG SER 2 HG SER 2 -14.018 14.821 -6.703 11 H THR 3 HN THR 3 -10.625 12.013 -4.767 12 HA THR 3 HA THR 3 -11.954 9.946 -6.258 13 HB THR 3 HB THR 3 -9.037 10.113 -5.481 14 HG1 THR 3 HG1 THR 3 -8.742 11.352 -7.254 15 HG21 THR 3 HG21 THR 3 -9.750 7.907 -6.293 16 HG22 THR 3 HG22 THR 3 -8.690 8.702 -7.457 17 HG23 THR 3 HG23 THR 3 -10.430 8.658 -7.738 18 H ALA 4 HN ALA 4 -12.655 8.079 -5.494 19 HA ALA 4 HA ALA 4 -11.225 6.588 -3.509 20 HB1 ALA 4 HB1 ALA 4 -13.003 6.449 -1.852 21 HB2 ALA 4 HB2 ALA 4 -13.987 7.577 -2.784 22 HB3 ALA 4 HB3 ALA 4 -12.482 8.124 -2.044 23 H THR 5 HN THR 5 -14.350 7.009 -5.149 24 HA THR 5 HA THR 5 -15.253 4.440 -5.372 25 HB THR 5 HB THR 5 -15.258 6.473 -7.609 26 HG1 THR 5 HG1 THR 5 -16.501 6.401 -5.153 27 HG21 THR 5 HG21 THR 5 -17.205 4.249 -6.986 28 HG22 THR 5 HG22 THR 5 -16.004 4.215 -8.275 29 HG23 THR 5 HG23 THR 5 -17.316 5.392 -8.324 30 H LEU 6 HN LEU 6 -12.554 5.858 -6.971 31 HA LEU 6 HA LEU 6 -11.945 4.079 -8.966 32 HB2 LEU 6 HB2 LEU 6 -10.607 6.019 -8.674 33 HB3 LEU 6 HB1 LEU 6 -10.223 5.583 -7.021 34 HG LEU 6 HG LEU 6 -8.813 3.746 -7.808 35 HD11 LEU 6 HD11 LEU 6 -9.510 4.751 -10.569 36 HD12 LEU 6 HD12 LEU 6 -9.982 3.201 -9.871 37 HD13 LEU 6 HD13 LEU 6 -8.282 3.541 -10.196 38 HD21 LEU 6 HD21 LEU 6 -7.868 5.981 -7.455 39 HD22 LEU 6 HD22 LEU 6 -8.173 6.371 -9.148 40 HD23 LEU 6 HD23 LEU 6 -7.022 5.101 -8.728 41 H LEU 7 HN LEU 7 -10.525 3.890 -5.696 42 HA LEU 7 HA LEU 7 -9.921 1.102 -6.133 43 HB2 LEU 7 HB2 LEU 7 -8.860 3.148 -4.547 44 HB3 LEU 7 HB1 LEU 7 -9.546 1.987 -3.420 45 HG LEU 7 HG LEU 7 -7.151 1.559 -3.923 46 HD11 LEU 7 HD11 LEU 7 -7.432 -0.825 -4.134 47 HD12 LEU 7 HD12 LEU 7 -9.037 -0.607 -4.846 48 HD13 LEU 7 HD13 LEU 7 -8.754 -0.171 -3.161 49 HD21 LEU 7 HD21 LEU 7 -7.398 2.240 -6.359 50 HD22 LEU 7 HD22 LEU 7 -8.116 0.649 -6.624 51 HD23 LEU 7 HD23 LEU 7 -6.458 0.780 -6.042 52 H THR 8 HN THR 8 -12.220 2.998 -4.392 53 HA THR 8 HA THR 8 -13.103 1.125 -2.517 54 HB THR 8 HB THR 8 -14.473 3.448 -3.821 55 HG1 THR 8 HG1 THR 8 -12.785 4.001 -2.449 56 HG21 THR 8 HG21 THR 8 -16.211 1.888 -3.069 57 HG22 THR 8 HG22 THR 8 -16.177 3.332 -2.057 58 HG23 THR 8 HG23 THR 8 -15.467 1.828 -1.473 59 H SER 9 HN SER 9 -13.912 1.505 -5.909 60 HA SER 9 HA SER 9 -16.135 -0.265 -5.915 61 HB2 SER 9 HB2 SER 9 -14.292 0.789 -8.047 62 HB3 SER 9 HB1 SER 9 -15.539 -0.406 -8.426 63 HG SER 9 HG SER 9 -16.272 1.861 -6.953 64 H LYS 10 HN LYS 10 -12.695 -0.688 -5.965 65 HA LYS 10 HA LYS 10 -12.600 -3.419 -6.721 66 HB2 LYS 10 HB2 LYS 10 -10.622 -1.805 -6.538 67 HB3 LYS 10 HB1 LYS 10 -10.740 -2.012 -4.796 68 HG2 LYS 10 HG2 LYS 10 -9.026 -3.442 -5.510 69 HG3 LYS 10 HG1 LYS 10 -10.417 -4.471 -5.175 70 HD2 LYS 10 HD2 LYS 10 -10.234 -3.507 -7.944 71 HD3 LYS 10 HD1 LYS 10 -8.925 -4.577 -7.445 72 HE2 LYS 10 HE2 LYS 10 -10.469 -6.297 -6.846 73 HE3 LYS 10 HE1 LYS 10 -11.843 -5.219 -7.073 74 HZ1 LYS 10 HZ1 LYS 10 -11.585 -6.703 -8.953 75 HZ2 LYS 10 HZ2 LYS 10 -10.001 -6.167 -9.203 76 HZ3 LYS 10 HZ3 LYS 10 -11.297 -5.107 -9.437 77 H LEU 11 HN LEU 11 -12.371 -1.852 -3.554 78 HA LEU 11 HA LEU 11 -12.399 -4.212 -2.045 79 HB2 LEU 11 HB2 LEU 11 -13.308 -1.479 -1.167 80 HB3 LEU 11 HB1 LEU 11 -12.917 -2.812 -0.107 81 HG LEU 11 HG LEU 11 -10.972 -1.642 0.037 82 HD11 LEU 11 HD11 LEU 11 -9.271 -2.665 -1.320 83 HD12 LEU 11 HD12 LEU 11 -10.477 -3.155 -2.515 84 HD13 LEU 11 HD13 LEU 11 -10.491 -3.874 -0.899 85 HD21 LEU 11 HD21 LEU 11 -11.070 -0.864 -2.864 86 HD22 LEU 11 HD22 LEU 11 -10.084 -0.167 -1.576 87 HD23 LEU 11 HD23 LEU 11 -11.831 0.086 -1.588 88 H ALA 12 HN ALA 12 -14.991 -2.318 -3.350 89 HA ALA 12 HA ALA 12 -17.143 -3.271 -1.859 90 HB1 ALA 12 HB1 ALA 12 -18.512 -2.688 -3.803 91 HB2 ALA 12 HB2 ALA 12 -17.053 -2.562 -4.788 92 HB3 ALA 12 HB3 ALA 12 -17.318 -1.437 -3.455 93 H GLY 13 HN GLY 13 -15.249 -4.799 -4.336 94 HA2 GLY 13 HA2 GLY 13 -17.129 -6.998 -4.664 95 HA3 GLY 13 HA1 GLY 13 -15.602 -6.781 -5.512 96 H LEU 14 HN LEU 14 -14.602 -6.206 -2.564 97 HA LEU 14 HA LEU 14 -13.936 -9.002 -2.056 98 HB2 LEU 14 HB2 LEU 14 -12.645 -6.459 -1.183 99 HB3 LEU 14 HB1 LEU 14 -12.185 -8.002 -0.566 100 HG LEU 14 HG LEU 14 -10.614 -7.864 -2.136 101 HD11 LEU 14 HD11 LEU 14 -12.011 -9.733 -2.821 102 HD12 LEU 14 HD12 LEU 14 -11.210 -8.972 -4.202 103 HD13 LEU 14 HD13 LEU 14 -12.920 -8.659 -3.890 104 HD21 LEU 14 HD21 LEU 14 -12.479 -6.079 -3.656 105 HD22 LEU 14 HD22 LEU 14 -10.850 -6.499 -4.181 106 HD23 LEU 14 HD23 LEU 14 -11.092 -5.604 -2.677 107 H THR 15 HN THR 15 -13.538 -9.527 0.183 108 HA THR 15 HA THR 15 -15.334 -8.210 2.079 109 HB THR 15 HB THR 15 -14.986 -10.152 3.478 110 HG1 THR 15 HG1 THR 15 -13.457 -11.759 2.870 111 HG21 THR 15 HG21 THR 15 -15.239 -11.015 0.592 112 HG22 THR 15 HG22 THR 15 -16.560 -10.468 1.627 113 HG23 THR 15 HG23 THR 15 -15.720 -11.975 1.994 114 H ALA 16 HN ALA 16 -14.192 -7.857 4.305 115 HA ALA 16 HA ALA 16 -12.187 -6.000 4.032 116 HB1 ALA 16 HB1 ALA 16 -12.583 -7.809 6.416 117 HB2 ALA 16 HB2 ALA 16 -13.498 -6.341 6.084 118 HB3 ALA 16 HB3 ALA 16 -11.768 -6.245 6.412 119 H THR 17 HN THR 17 -11.812 -9.476 4.481 120 HA THR 17 HA THR 17 -9.013 -9.509 4.809 121 HB THR 17 HB THR 17 -10.861 -11.671 3.782 122 HG1 THR 17 HG1 THR 17 -10.969 -10.618 6.069 123 HG21 THR 17 HG21 THR 17 -8.517 -12.102 3.230 124 HG22 THR 17 HG22 THR 17 -9.107 -13.225 4.455 125 HG23 THR 17 HG23 THR 17 -8.077 -11.872 4.920 126 H GLU 18 HN GLU 18 -11.040 -9.923 1.897 127 HA GLU 18 HA GLU 18 -8.810 -10.349 0.215 128 HB2 GLU 18 HB2 GLU 18 -11.674 -9.670 -0.369 129 HB3 GLU 18 HB1 GLU 18 -10.488 -10.092 -1.582 130 HG2 GLU 18 HG2 GLU 18 -10.209 -12.274 -0.469 131 HG3 GLU 18 HG1 GLU 18 -11.512 -11.828 0.630 132 H GLN 19 HN GLN 19 -10.644 -7.601 1.296 133 HA GLN 19 HA GLN 19 -9.650 -5.677 -0.493 134 HB2 GLN 19 HB2 GLN 19 -10.443 -5.410 2.403 135 HB3 GLN 19 HB1 GLN 19 -10.249 -4.071 1.290 136 HG2 GLN 19 HG2 GLN 19 -12.045 -4.870 -0.052 137 HG3 GLN 19 HG1 GLN 19 -12.190 -6.315 0.923 138 HE21 GLN 19 HE21 GLN 19 -14.224 -4.442 0.334 139 HE22 GLN 19 HE22 GLN 19 -14.744 -3.772 1.846 140 H ARG 20 HN ARG 20 -8.431 -6.991 2.549 141 HA ARG 20 HA ARG 20 -6.026 -5.532 2.709 142 HB2 ARG 20 HB2 ARG 20 -6.075 -8.488 3.267 143 HB3 ARG 20 HB1 ARG 20 -5.185 -7.227 4.105 144 HG2 ARG 20 HG2 ARG 20 -7.268 -6.413 5.059 145 HG3 ARG 20 HG1 ARG 20 -8.156 -7.695 4.224 146 HD2 ARG 20 HD2 ARG 20 -7.770 -8.344 6.514 147 HD3 ARG 20 HD1 ARG 20 -6.790 -9.347 5.454 148 HE ARG 20 HE ARG 20 -5.356 -7.081 6.447 149 HH11 ARG 20 HH11 ARG 20 -6.372 -10.344 7.180 150 HH12 ARG 20 HH12 ARG 20 -5.135 -10.603 8.368 151 HH21 ARG 20 HH21 ARG 20 -3.707 -7.415 8.036 152 HH22 ARG 20 HH22 ARG 20 -3.639 -8.948 8.858 153 H ALA 21 HN ALA 21 -6.842 -8.526 1.078 154 HA ALA 21 HA ALA 21 -4.287 -9.195 0.153 155 HB1 ALA 21 HB1 ALA 21 -6.937 -9.957 -1.050 156 HB2 ALA 21 HB2 ALA 21 -6.148 -10.777 0.296 157 HB3 ALA 21 HB3 ALA 21 -5.398 -10.783 -1.300 158 H VAL 22 HN VAL 22 -6.841 -7.355 -1.439 159 HA VAL 22 HA VAL 22 -5.600 -7.400 -3.986 160 HB VAL 22 HB VAL 22 -7.200 -5.538 -4.561 161 HG11 VAL 22 HG11 VAL 22 -8.532 -7.885 -3.231 162 HG12 VAL 22 HG12 VAL 22 -7.666 -8.004 -4.764 163 HG13 VAL 22 HG13 VAL 22 -9.089 -6.970 -4.635 164 HG21 VAL 22 HG21 VAL 22 -9.000 -5.089 -2.913 165 HG22 VAL 22 HG22 VAL 22 -7.426 -4.485 -2.400 166 HG23 VAL 22 HG23 VAL 22 -8.069 -5.973 -1.700 167 H THR 23 HN THR 23 -5.619 -4.836 -1.458 168 HA THR 23 HA THR 23 -3.664 -3.496 -3.133 169 HB THR 23 HB THR 23 -5.200 -2.005 -2.267 170 HG1 THR 23 HG1 THR 23 -2.723 -1.744 -0.944 171 HG21 THR 23 HG21 THR 23 -5.580 -1.556 0.071 172 HG22 THR 23 HG22 THR 23 -4.372 -2.760 0.506 173 HG23 THR 23 HG23 THR 23 -5.882 -3.268 -0.248 174 H ARG 24 HN ARG 24 -3.620 -5.726 -0.568 175 HA ARG 24 HA ARG 24 -0.952 -5.271 0.253 176 HB2 ARG 24 HB2 ARG 24 -2.101 -7.030 1.369 177 HB3 ARG 24 HB1 ARG 24 -2.586 -7.778 -0.145 178 HG2 ARG 24 HG2 ARG 24 0.143 -7.832 -0.307 179 HG3 ARG 24 HG1 ARG 24 -0.149 -8.108 1.412 180 HD2 ARG 24 HD2 ARG 24 -0.034 -10.147 -0.079 181 HD3 ARG 24 HD1 ARG 24 -1.433 -10.028 0.991 182 HE ARG 24 HE ARG 24 -2.358 -8.949 -1.296 183 HH11 ARG 24 HH11 ARG 24 -0.598 -11.913 -0.683 184 HH12 ARG 24 HH12 ARG 24 -1.332 -12.765 -2.006 185 HH21 ARG 24 HH21 ARG 24 -3.317 -10.064 -3.044 186 HH22 ARG 24 HH22 ARG 24 -2.872 -11.715 -3.347 187 H LYS 25 HN LYS 25 -2.442 -6.043 -2.654 188 HA LYS 25 HA LYS 25 0.013 -6.902 -3.914 189 HB2 LYS 25 HB2 LYS 25 -1.737 -8.354 -4.435 190 HB3 LYS 25 HB1 LYS 25 -2.923 -7.064 -4.507 191 HG2 LYS 25 HG2 LYS 25 -2.513 -8.002 -6.689 192 HG3 LYS 25 HG1 LYS 25 -2.013 -6.316 -6.588 193 HD2 LYS 25 HD2 LYS 25 0.304 -6.951 -6.442 194 HD3 LYS 25 HD1 LYS 25 -0.127 -8.652 -6.273 195 HE2 LYS 25 HE2 LYS 25 0.654 -8.231 -8.516 196 HE3 LYS 25 HE1 LYS 25 -1.066 -8.609 -8.552 197 HZ1 LYS 25 HZ1 LYS 25 0.101 -5.883 -8.683 198 HZ2 LYS 25 HZ2 LYS 25 -1.547 -6.250 -8.736 199 HZ3 LYS 25 HZ3 LYS 25 -0.528 -6.747 -9.992 200 H LEU 26 HN LEU 26 -2.424 -4.273 -3.809 201 HA LEU 26 HA LEU 26 -1.305 -2.791 -5.947 202 HB2 LEU 26 HB2 LEU 26 -3.584 -2.431 -5.290 203 HB3 LEU 26 HB1 LEU 26 -3.090 -1.984 -3.675 204 HG LEU 26 HG LEU 26 -3.826 -0.141 -5.298 205 HD11 LEU 26 HD11 LEU 26 -1.229 0.257 -3.882 206 HD12 LEU 26 HD12 LEU 26 -2.768 0.048 -3.047 207 HD13 LEU 26 HD13 LEU 26 -2.531 1.425 -4.132 208 HD21 LEU 26 HD21 LEU 26 -2.427 -0.818 -7.180 209 HD22 LEU 26 HD22 LEU 26 -0.993 -0.468 -6.216 210 HD23 LEU 26 HD23 LEU 26 -2.098 0.837 -6.660 211 H VAL 27 HN VAL 27 -0.984 -2.320 -2.379 212 HA VAL 27 HA VAL 27 0.834 -0.210 -2.536 213 HB VAL 27 HB VAL 27 -0.083 -0.762 -0.363 214 HG11 VAL 27 HG11 VAL 27 -0.336 -3.116 -0.471 215 HG12 VAL 27 HG12 VAL 27 0.773 -2.779 0.861 216 HG13 VAL 27 HG13 VAL 27 1.393 -3.358 -0.689 217 HG21 VAL 27 HG21 VAL 27 2.118 0.328 -0.396 218 HG22 VAL 27 HG22 VAL 27 2.898 -1.259 -0.383 219 HG23 VAL 27 HG23 VAL 27 1.941 -0.733 1.003 220 H LEU 28 HN LEU 28 1.207 -3.600 -2.726 221 HA LEU 28 HA LEU 28 3.977 -3.871 -2.795 222 HB2 LEU 28 HB2 LEU 28 1.851 -5.527 -2.840 223 HB3 LEU 28 HB1 LEU 28 2.319 -5.601 -4.523 224 HG LEU 28 HG LEU 28 4.429 -6.554 -3.987 225 HD11 LEU 28 HD11 LEU 28 5.082 -5.250 -2.123 226 HD12 LEU 28 HD12 LEU 28 5.043 -6.932 -1.593 227 HD13 LEU 28 HD13 LEU 28 3.727 -5.836 -1.159 228 HD21 LEU 28 HD21 LEU 28 2.201 -7.709 -2.314 229 HD22 LEU 28 HD22 LEU 28 3.733 -8.535 -2.624 230 HD23 LEU 28 HD23 LEU 28 2.647 -8.157 -3.964 231 H ASP 29 HN ASP 29 1.617 -3.442 -5.356 232 HA ASP 29 HA ASP 29 3.399 -3.616 -7.546 233 HB2 ASP 29 HB2 ASP 29 0.877 -3.852 -7.614 234 HB3 ASP 29 HB1 ASP 29 0.788 -2.106 -7.454 235 H GLN 30 HN GLN 30 2.028 -0.935 -5.726 236 HA GLN 30 HA GLN 30 3.218 1.171 -7.105 237 HB2 GLN 30 HB2 GLN 30 2.592 0.969 -4.183 238 HB3 GLN 30 HB1 GLN 30 2.769 2.451 -5.108 239 HG2 GLN 30 HG2 GLN 30 0.588 0.393 -5.374 240 HG3 GLN 30 HG1 GLN 30 0.458 2.044 -4.786 241 HE21 GLN 30 HE21 GLN 30 0.810 0.018 -7.558 242 HE22 GLN 30 HE22 GLN 30 0.453 1.225 -8.745 243 H ALA 31 HN ALA 31 4.278 -0.609 -4.261 244 HA ALA 31 HA ALA 31 6.674 0.790 -3.775 245 HB1 ALA 31 HB1 ALA 31 5.588 -0.758 -2.187 246 HB2 ALA 31 HB2 ALA 31 7.290 -1.153 -2.447 247 HB3 ALA 31 HB3 ALA 31 6.028 -2.112 -3.235 248 H ALA 32 HN ALA 32 5.769 -1.732 -5.912 249 HA ALA 32 HA ALA 32 8.343 -2.557 -6.730 250 HB1 ALA 32 HB1 ALA 32 5.515 -2.875 -7.660 251 HB2 ALA 32 HB2 ALA 32 6.724 -4.107 -7.233 252 HB3 ALA 32 HB3 ALA 32 6.821 -3.277 -8.786 253 H SER 33 HN SER 33 5.950 -0.270 -7.975 254 HA SER 33 HA SER 33 7.317 0.539 -10.280 255 HB2 SER 33 HB2 SER 33 5.029 1.139 -10.028 256 HB3 SER 33 HB1 SER 33 5.324 1.892 -8.461 257 HG SER 33 HG SER 33 6.338 2.827 -10.952 258 H VAL 34 HN VAL 34 7.482 1.592 -6.951 259 HA VAL 34 HA VAL 34 9.165 3.812 -7.249 260 HB VAL 34 HB VAL 34 9.142 1.930 -4.906 261 HG11 VAL 34 HG11 VAL 34 10.834 3.617 -4.755 262 HG12 VAL 34 HG12 VAL 34 9.532 4.033 -3.639 263 HG13 VAL 34 HG13 VAL 34 9.677 4.877 -5.179 264 HG21 VAL 34 HG21 VAL 34 7.208 4.137 -5.514 265 HG22 VAL 34 HG22 VAL 34 7.310 3.229 -4.006 266 HG23 VAL 34 HG23 VAL 34 6.877 2.406 -5.498 267 H LEU 35 HN LEU 35 9.800 0.546 -6.132 268 HA LEU 35 HA LEU 35 12.516 0.908 -5.730 269 HB2 LEU 35 HB2 LEU 35 10.524 -1.164 -5.614 270 HB3 LEU 35 HB1 LEU 35 12.120 -1.790 -5.998 271 HG LEU 35 HG LEU 35 12.916 -1.360 -3.893 272 HD11 LEU 35 HD11 LEU 35 12.016 0.412 -2.395 273 HD12 LEU 35 HD12 LEU 35 10.947 0.924 -3.707 274 HD13 LEU 35 HD13 LEU 35 12.697 1.047 -3.891 275 HD21 LEU 35 HD21 LEU 35 10.943 -1.587 -2.281 276 HD22 LEU 35 HD22 LEU 35 11.201 -2.855 -3.479 277 HD23 LEU 35 HD23 LEU 35 9.951 -1.634 -3.748 278 H GLY 36 HN GLY 36 10.794 -0.186 -8.588 279 HA2 GLY 36 HA2 GLY 36 12.244 0.243 -10.639 280 HA3 GLY 36 HA1 GLY 36 13.407 -0.766 -9.797 281 H TYR 37 HN TYR 37 10.152 -1.600 -9.420 282 HA TYR 37 HA TYR 37 10.681 -4.051 -10.945 283 HB2 TYR 37 HB2 TYR 37 8.633 -3.633 -8.775 284 HB3 TYR 37 HB1 TYR 37 9.229 -5.155 -9.403 285 HD1 TYR 37 HD1 TYR 37 9.126 -4.268 -6.458 286 HD2 TYR 37 HD2 TYR 37 12.166 -4.135 -9.413 287 HE1 TYR 37 HE1 TYR 37 10.822 -4.336 -4.693 288 HE2 TYR 37 HE2 TYR 37 13.873 -4.184 -7.676 289 HH TYR 37 HH TYR 37 14.114 -3.657 -5.282 290 H ALA 38 HN ALA 38 8.635 -5.125 -11.765 291 HA ALA 38 HA ALA 38 6.701 -3.123 -12.723 292 HB1 ALA 38 HB1 ALA 38 6.797 -3.980 -14.961 293 HB2 ALA 38 HB2 ALA 38 7.930 -5.239 -14.474 294 HB3 ALA 38 HB3 ALA 38 8.430 -3.546 -14.454 295 H SER 39 HN SER 39 7.199 -6.023 -11.184 296 HA SER 39 HA SER 39 4.416 -6.730 -11.422 297 HB2 SER 39 HB2 SER 39 5.484 -7.850 -13.382 298 HB3 SER 39 HB1 SER 39 6.537 -8.721 -12.273 299 HG SER 39 HG SER 39 4.236 -9.518 -13.098 300 H THR 40 HN THR 40 6.244 -5.807 -9.401 301 HA THR 40 HA THR 40 7.024 -6.192 -7.301 302 HB THR 40 HB THR 40 5.499 -7.394 -5.799 303 HG1 THR 40 HG1 THR 40 4.646 -8.516 -8.195 304 HG21 THR 40 HG21 THR 40 4.922 -5.135 -6.350 305 HG22 THR 40 HG22 THR 40 3.436 -6.092 -6.350 306 HG23 THR 40 HG23 THR 40 4.198 -5.645 -7.878 307 H GLU 41 HN GLU 41 8.431 -7.606 -9.130 308 HA GLU 41 HA GLU 41 8.574 -10.378 -8.702 309 HB2 GLU 41 HB2 GLU 41 10.827 -10.154 -9.829 310 HB3 GLU 41 HB1 GLU 41 9.446 -9.540 -10.723 311 HG2 GLU 41 HG2 GLU 41 10.893 -7.600 -9.035 312 HG3 GLU 41 HG1 GLU 41 11.734 -8.200 -10.461 313 H SER 42 HN SER 42 10.268 -7.714 -7.117 314 HA SER 42 HA SER 42 11.541 -9.715 -5.373 315 HB2 SER 42 HB2 SER 42 13.148 -8.682 -6.953 316 HB3 SER 42 HB1 SER 42 12.763 -7.099 -6.281 317 HG SER 42 HG SER 42 13.420 -8.121 -4.190 318 H LEU 43 HN LEU 43 9.121 -8.694 -4.656 319 HA LEU 43 HA LEU 43 9.829 -6.887 -2.454 320 HB2 LEU 43 HB2 LEU 43 7.243 -7.338 -3.904 321 HB3 LEU 43 HB1 LEU 43 7.357 -6.431 -2.405 322 HG LEU 43 HG LEU 43 8.930 -5.719 -4.863 323 HD11 LEU 43 HD11 LEU 43 7.258 -3.988 -5.227 324 HD12 LEU 43 HD12 LEU 43 6.285 -4.665 -3.919 325 HD13 LEU 43 HD13 LEU 43 6.582 -5.612 -5.376 326 HD21 LEU 43 HD21 LEU 43 9.099 -3.564 -3.701 327 HD22 LEU 43 HD22 LEU 43 9.821 -4.887 -2.786 328 HD23 LEU 43 HD23 LEU 43 8.238 -4.259 -2.329 329 H ASP 44 HN ASP 44 8.393 -7.113 -0.537 330 HA ASP 44 HA ASP 44 7.404 -9.825 -0.074 331 HB2 ASP 44 HB2 ASP 44 9.844 -9.228 0.934 332 HB3 ASP 44 HB1 ASP 44 8.831 -8.536 2.193 333 H THR 45 HN THR 45 5.674 -9.890 1.386 334 HA THR 45 HA THR 45 4.646 -7.258 2.182 335 HB THR 45 HB THR 45 2.491 -8.502 2.579 336 HG1 THR 45 HG1 THR 45 3.449 -10.529 0.887 337 HG21 THR 45 HG21 THR 45 3.650 -8.439 -0.195 338 HG22 THR 45 HG22 THR 45 2.742 -7.163 0.617 339 HG23 THR 45 HG23 THR 45 1.940 -8.667 0.168 340 H HIS 46 HN HIS 46 6.275 -9.906 3.359 341 HA HIS 46 HA HIS 46 5.142 -9.664 6.057 342 HB2 HIS 46 HB2 HIS 46 7.087 -11.671 4.886 343 HB3 HIS 46 HB1 HIS 46 6.552 -11.664 6.557 344 HD1 HIS 46 HD1 HIS 46 4.880 -13.428 6.926 345 HD2 HIS 46 HD2 HIS 46 4.516 -11.714 3.161 346 HE1 HIS 46 HE1 HIS 46 2.966 -14.628 5.824 347 HE2 HIS 46 HE2 HIS 46 2.846 -13.665 3.498 348 H GLU 47 HN GLU 47 7.531 -8.379 4.158 349 HA GLU 47 HA GLU 47 9.261 -7.841 6.465 350 HB2 GLU 47 HB2 GLU 47 11.069 -8.388 5.269 351 HB3 GLU 47 HB1 GLU 47 9.971 -9.093 4.102 352 HG2 GLU 47 HG2 GLU 47 9.976 -6.983 2.843 353 HG3 GLU 47 HG1 GLU 47 11.109 -6.306 4.018 354 H SER 48 HN SER 48 10.184 -5.707 6.534 355 HA SER 48 HA SER 48 8.048 -3.848 5.922 356 HB2 SER 48 HB2 SER 48 10.565 -3.256 7.467 357 HB3 SER 48 HB1 SER 48 8.989 -2.473 7.590 358 HG SER 48 HG SER 48 8.632 -5.054 8.062 359 H PHE 49 HN PHE 49 8.297 -1.892 4.893 360 HA PHE 49 HA PHE 49 9.662 -1.847 2.498 361 HB2 PHE 49 HB2 PHE 49 8.708 0.511 4.105 362 HB3 PHE 49 HB1 PHE 49 9.158 0.564 2.406 363 HD1 PHE 49 HD1 PHE 49 7.730 -0.297 0.726 364 HD2 PHE 49 HD2 PHE 49 6.675 -0.616 4.826 365 HE1 PHE 49 HE1 PHE 49 5.454 -0.926 0.086 366 HE2 PHE 49 HE2 PHE 49 4.385 -1.249 4.193 367 HZ PHE 49 HZ PHE 49 3.729 -1.279 1.880 368 H LYS 50 HN LYS 50 10.704 -0.659 5.591 369 HA LYS 50 HA LYS 50 13.023 0.627 5.147 370 HB2 LYS 50 HB2 LYS 50 12.072 -0.161 7.329 371 HB3 LYS 50 HB1 LYS 50 12.721 -1.752 6.968 372 HG2 LYS 50 HG2 LYS 50 14.148 -0.560 8.501 373 HG3 LYS 50 HG1 LYS 50 14.974 -0.871 6.978 374 HD2 LYS 50 HD2 LYS 50 15.460 1.379 7.760 375 HD3 LYS 50 HD1 LYS 50 14.508 1.442 6.277 376 HE2 LYS 50 HE2 LYS 50 12.494 1.877 7.557 377 HE3 LYS 50 HE1 LYS 50 13.395 1.722 9.064 378 HZ1 LYS 50 HZ1 LYS 50 14.658 3.665 8.508 379 HZ2 LYS 50 HZ2 LYS 50 13.015 4.039 8.401 380 HZ3 LYS 50 HZ3 LYS 50 13.918 3.785 6.995 381 H ASP 51 HN ASP 51 12.655 -2.864 5.194 382 HA ASP 51 HA ASP 51 15.283 -3.421 4.286 383 HB2 ASP 51 HB2 ASP 51 13.629 -4.903 5.629 384 HB3 ASP 51 HB1 ASP 51 13.011 -5.351 4.048 385 H LEU 52 HN LEU 52 12.276 -2.772 2.701 386 HA LEU 52 HA LEU 52 12.928 -3.872 0.162 387 HB2 LEU 52 HB2 LEU 52 10.866 -1.958 1.170 388 HB3 LEU 52 HB1 LEU 52 11.066 -2.186 -0.540 389 HG LEU 52 HG LEU 52 10.537 -4.582 -0.290 390 HD11 LEU 52 HD11 LEU 52 10.136 -3.831 2.584 391 HD12 LEU 52 HD12 LEU 52 11.295 -4.994 1.934 392 HD13 LEU 52 HD13 LEU 52 9.563 -5.328 1.853 393 HD21 LEU 52 HD21 LEU 52 8.176 -4.337 0.338 394 HD22 LEU 52 HD22 LEU 52 8.717 -3.095 -0.801 395 HD23 LEU 52 HD23 LEU 52 8.523 -2.705 0.910 396 H GLY 53 HN GLY 53 13.768 -1.048 1.865 397 HA2 GLY 53 HA2 GLY 53 15.748 0.077 1.112 398 HA3 GLY 53 HA1 GLY 53 15.169 -0.085 -0.532 399 H PHE 54 HN PHE 54 12.627 0.762 1.540 400 HA PHE 54 HA PHE 54 12.501 3.335 0.331 401 HB2 PHE 54 HB2 PHE 54 10.759 2.000 2.409 402 HB3 PHE 54 HB1 PHE 54 10.455 3.607 1.762 403 HD1 PHE 54 HD1 PHE 54 9.659 3.936 -0.436 404 HD2 PHE 54 HD2 PHE 54 10.599 0.040 0.962 405 HE1 PHE 54 HE1 PHE 54 8.546 2.984 -2.388 406 HE2 PHE 54 HE2 PHE 54 9.488 -0.943 -0.986 407 HZ PHE 54 HZ PHE 54 8.470 0.524 -2.698 408 H ASP 55 HN ASP 55 12.201 5.332 1.480 409 HA ASP 55 HA ASP 55 13.382 5.743 4.050 410 HB2 ASP 55 HB2 ASP 55 15.350 5.302 2.399 411 HB3 ASP 55 HB1 ASP 55 14.946 6.885 1.739 412 H SER 56 HN SER 56 14.205 8.462 3.528 413 HA SER 56 HA SER 56 11.585 9.668 3.343 414 HB2 SER 56 HB2 SER 56 14.296 10.964 3.722 415 HB3 SER 56 HB1 SER 56 12.730 11.728 3.994 416 HG SER 56 HG SER 56 14.147 9.987 5.587 417 H LEU 57 HN LEU 57 12.410 8.459 0.983 418 HA LEU 57 HA LEU 57 12.233 10.663 -0.905 419 HB2 LEU 57 HB2 LEU 57 14.034 8.290 -1.228 420 HB3 LEU 57 HB1 LEU 57 13.860 9.612 -2.362 421 HG LEU 57 HG LEU 57 14.935 9.923 0.431 422 HD11 LEU 57 HD11 LEU 57 16.389 8.442 -0.814 423 HD12 LEU 57 HD12 LEU 57 17.154 10.021 -0.633 424 HD13 LEU 57 HD13 LEU 57 16.420 9.567 -2.171 425 HD21 LEU 57 HD21 LEU 57 14.042 11.957 -0.529 426 HD22 LEU 57 HD22 LEU 57 14.995 11.716 -1.995 427 HD23 LEU 57 HD23 LEU 57 15.801 12.043 -0.460 428 H THR 58 HN THR 58 12.624 7.144 -0.921 429 HA THR 58 HA THR 58 10.842 6.745 -3.082 430 HB THR 58 HB THR 58 11.062 4.287 -2.270 431 HG1 THR 58 HG1 THR 58 13.378 4.777 -0.995 432 HG21 THR 58 HG21 THR 58 13.514 5.855 -3.072 433 HG22 THR 58 HG22 THR 58 12.283 5.233 -4.171 434 HG23 THR 58 HG23 THR 58 13.289 4.114 -3.252 435 H ALA 59 HN ALA 59 10.541 6.276 0.414 436 HA ALA 59 HA ALA 59 8.020 5.142 0.495 437 HB1 ALA 59 HB1 ALA 59 9.523 5.473 2.459 438 HB2 ALA 59 HB2 ALA 59 7.862 5.990 2.759 439 HB3 ALA 59 HB3 ALA 59 9.117 7.189 2.435 440 H LEU 60 HN LEU 60 9.058 8.413 0.001 441 HA LEU 60 HA LEU 60 6.578 9.683 0.400 442 HB2 LEU 60 HB2 LEU 60 9.077 10.490 -1.066 443 HB3 LEU 60 HB1 LEU 60 7.690 11.552 -0.912 444 HG LEU 60 HG LEU 60 9.424 12.093 0.742 445 HD11 LEU 60 HD11 LEU 60 7.079 12.497 1.293 446 HD12 LEU 60 HD12 LEU 60 8.040 12.096 2.717 447 HD13 LEU 60 HD13 LEU 60 6.981 10.884 2.002 448 HD21 LEU 60 HD21 LEU 60 9.873 10.565 2.598 449 HD22 LEU 60 HD22 LEU 60 10.404 9.895 1.054 450 HD23 LEU 60 HD23 LEU 60 8.909 9.323 1.798 451 H GLU 61 HN GLU 61 8.243 8.604 -2.565 452 HA GLU 61 HA GLU 61 6.030 9.397 -4.206 453 HB2 GLU 61 HB2 GLU 61 7.171 7.933 -5.948 454 HB3 GLU 61 HB1 GLU 61 8.079 9.325 -5.361 455 HG2 GLU 61 HG2 GLU 61 9.443 7.947 -3.992 456 HG3 GLU 61 HG1 GLU 61 8.422 6.543 -4.289 457 H LEU 62 HN LEU 62 6.989 6.442 -2.574 458 HA LEU 62 HA LEU 62 5.032 4.743 -3.719 459 HB2 LEU 62 HB2 LEU 62 6.790 3.810 -2.367 460 HB3 LEU 62 HB1 LEU 62 6.267 4.740 -0.979 461 HG LEU 62 HG LEU 62 4.165 3.493 -0.912 462 HD11 LEU 62 HD11 LEU 62 5.338 1.987 -3.226 463 HD12 LEU 62 HD12 LEU 62 3.899 3.005 -3.241 464 HD13 LEU 62 HD13 LEU 62 3.909 1.499 -2.318 465 HD21 LEU 62 HD21 LEU 62 6.525 1.649 -1.039 466 HD22 LEU 62 HD22 LEU 62 5.054 1.452 -0.082 467 HD23 LEU 62 HD23 LEU 62 6.190 2.748 0.295 468 H ARG 63 HN ARG 63 5.037 6.746 -0.824 469 HA ARG 63 HA ARG 63 2.456 6.251 0.099 470 HB2 ARG 63 HB2 ARG 63 3.883 7.475 1.507 471 HB3 ARG 63 HB1 ARG 63 4.373 8.564 0.220 472 HG2 ARG 63 HG2 ARG 63 1.831 9.260 0.289 473 HG3 ARG 63 HG1 ARG 63 1.960 8.644 1.940 474 HD2 ARG 63 HD2 ARG 63 2.416 11.061 1.797 475 HD3 ARG 63 HD1 ARG 63 3.795 10.144 2.396 476 HE ARG 63 HE ARG 63 4.513 10.279 -0.096 477 HH11 ARG 63 HH11 ARG 63 2.943 12.795 1.769 478 HH12 ARG 63 HH12 ARG 63 3.592 14.083 0.806 479 HH21 ARG 63 HH21 ARG 63 5.370 11.981 -1.362 480 HH22 ARG 63 HH22 ARG 63 4.976 13.622 -0.961 481 H ASP 64 HN ASP 64 3.794 8.604 -2.135 482 HA ASP 64 HA ASP 64 1.496 9.912 -2.945 483 HB2 ASP 64 HB2 ASP 64 3.895 10.494 -3.448 484 HB3 ASP 64 HB1 ASP 64 3.846 9.256 -4.692 485 H HIS 65 HN HIS 65 2.990 6.942 -4.132 486 HA HIS 65 HA HIS 65 1.267 6.442 -6.282 487 HB2 HIS 65 HB2 HIS 65 2.845 4.586 -4.545 488 HB3 HIS 65 HB1 HIS 65 1.966 4.057 -5.957 489 HD1 HIS 65 HD1 HIS 65 2.972 6.746 -7.617 490 HD2 HIS 65 HD2 HIS 65 5.215 3.868 -5.666 491 HE1 HIS 65 HE1 HIS 65 5.269 6.822 -8.668 492 HE2 HIS 65 HE2 HIS 65 6.638 5.189 -7.367 493 H LEU 66 HN LEU 66 1.057 5.474 -2.850 494 HA LEU 66 HA LEU 66 -1.151 3.740 -3.203 495 HB2 LEU 66 HB2 LEU 66 0.043 5.180 -0.885 496 HB3 LEU 66 HB1 LEU 66 -1.483 4.356 -0.686 497 HG LEU 66 HG LEU 66 -0.541 2.252 -0.855 498 HD11 LEU 66 HD11 LEU 66 1.628 1.760 -1.863 499 HD12 LEU 66 HD12 LEU 66 1.839 3.470 -2.244 500 HD13 LEU 66 HD13 LEU 66 0.547 2.547 -3.009 501 HD21 LEU 66 HD21 LEU 66 1.625 4.018 0.251 502 HD22 LEU 66 HD22 LEU 66 1.545 2.269 0.466 503 HD23 LEU 66 HD23 LEU 66 0.283 3.301 1.140 504 H GLN 67 HN GLN 67 -0.917 7.147 -2.421 505 HA GLN 67 HA GLN 67 -3.716 7.533 -1.966 506 HB2 GLN 67 HB2 GLN 67 -1.808 9.682 -2.830 507 HB3 GLN 67 HB1 GLN 67 -3.218 9.826 -1.787 508 HG2 GLN 67 HG2 GLN 67 -2.147 8.880 0.017 509 HG3 GLN 67 HG1 GLN 67 -0.951 8.095 -1.019 510 HE21 GLN 67 HE21 GLN 67 -0.297 10.358 -2.566 511 HE22 GLN 67 HE22 GLN 67 0.597 11.432 -1.566 512 H THR 68 HN THR 68 -1.554 7.811 -4.712 513 HA THR 68 HA THR 68 -3.390 8.855 -6.540 514 HB THR 68 HB THR 68 -0.816 7.364 -6.586 515 HG1 THR 68 HG1 THR 68 -0.520 9.489 -6.268 516 HG21 THR 68 HG21 THR 68 -0.692 7.536 -9.024 517 HG22 THR 68 HG22 THR 68 -2.360 8.110 -9.067 518 HG23 THR 68 HG23 THR 68 -2.001 6.476 -8.508 519 H ALA 69 HN ALA 69 -2.255 5.647 -5.826 520 HA ALA 69 HA ALA 69 -3.825 4.113 -7.473 521 HB1 ALA 69 HB1 ALA 69 -3.353 2.296 -5.920 522 HB2 ALA 69 HB2 ALA 69 -2.818 3.479 -4.722 523 HB3 ALA 69 HB3 ALA 69 -1.926 3.288 -6.230 524 H THR 70 HN THR 70 -4.503 5.060 -4.108 525 HA THR 70 HA THR 70 -7.070 3.667 -4.244 526 HB THR 70 HB THR 70 -7.199 4.050 -1.839 527 HG1 THR 70 HG1 THR 70 -4.670 5.310 -1.878 528 HG21 THR 70 HG21 THR 70 -5.229 2.830 -1.122 529 HG22 THR 70 HG22 THR 70 -4.401 3.249 -2.622 530 HG23 THR 70 HG23 THR 70 -5.807 2.180 -2.658 531 H GLY 71 HN GLY 71 -5.778 6.891 -3.957 532 HA2 GLY 71 HA2 GLY 71 -6.929 8.862 -4.553 533 HA3 GLY 71 HA1 GLY 71 -8.456 8.007 -4.358 534 H LEU 72 HN LEU 72 -6.612 7.155 -1.820 535 HA LEU 72 HA LEU 72 -8.263 8.802 -0.068 536 HB2 LEU 72 HB2 LEU 72 -6.688 6.268 0.267 537 HB3 LEU 72 HB1 LEU 72 -7.252 7.161 1.663 538 HG LEU 72 HG LEU 72 -8.705 5.242 1.041 539 HD11 LEU 72 HD11 LEU 72 -9.594 7.138 2.302 540 HD12 LEU 72 HD12 LEU 72 -10.812 6.387 1.270 541 HD13 LEU 72 HD13 LEU 72 -10.063 7.915 0.787 542 HD21 LEU 72 HD21 LEU 72 -8.484 5.356 -1.385 543 HD22 LEU 72 HD22 LEU 72 -9.374 6.876 -1.396 544 HD23 LEU 72 HD23 LEU 72 -10.173 5.390 -0.883 545 H ASN 73 HN ASN 73 -6.730 8.806 2.246 546 HA ASN 73 HA ASN 73 -4.608 10.668 1.413 547 HB2 ASN 73 HB2 ASN 73 -6.678 11.778 2.302 548 HB3 ASN 73 HB1 ASN 73 -6.373 10.982 3.844 549 HD21 ASN 73 HD21 ASN 73 -5.332 13.434 1.630 550 HD22 ASN 73 HD22 ASN 73 -4.240 14.232 2.709 551 H LEU 74 HN LEU 74 -2.865 9.392 1.732 552 HA LEU 74 HA LEU 74 -2.573 8.042 4.289 553 HB2 LEU 74 HB2 LEU 74 -0.980 7.866 1.739 554 HB3 LEU 74 HB1 LEU 74 -0.603 6.977 3.209 555 HG LEU 74 HG LEU 74 -3.082 6.124 2.950 556 HD11 LEU 74 HD11 LEU 74 -3.796 5.855 0.655 557 HD12 LEU 74 HD12 LEU 74 -2.363 6.714 0.079 558 HD13 LEU 74 HD13 LEU 74 -3.592 7.572 1.008 559 HD21 LEU 74 HD21 LEU 74 -0.672 5.191 1.435 560 HD22 LEU 74 HD22 LEU 74 -2.176 4.277 1.506 561 HD23 LEU 74 HD23 LEU 74 -1.284 4.619 2.989 562 H SER 75 HN SER 75 0.404 8.125 4.301 563 HA SER 75 HA SER 75 0.659 10.925 5.145 564 HB2 SER 75 HB2 SER 75 -0.192 9.629 7.080 565 HB3 SER 75 HB1 SER 75 1.228 8.590 6.982 566 HG SER 75 HG SER 75 0.960 10.988 8.166 567 H SER 76 HN SER 76 2.937 11.383 5.986 568 HA SER 76 HA SER 76 4.723 10.920 3.877 569 HB2 SER 76 HB2 SER 76 6.385 11.910 5.639 570 HB3 SER 76 HB1 SER 76 5.069 12.910 5.020 571 HG SER 76 HG SER 76 5.543 12.505 7.493 572 H THR 77 HN THR 77 4.663 9.574 7.152 573 HA THR 77 HA THR 77 6.831 7.723 6.425 574 HB THR 77 HB THR 77 6.736 7.306 9.005 575 HG1 THR 77 HG1 THR 77 5.271 8.529 9.932 576 HG21 THR 77 HG21 THR 77 8.311 9.177 9.347 577 HG22 THR 77 HG22 THR 77 7.810 9.850 7.793 578 HG23 THR 77 HG23 THR 77 8.629 8.291 7.856 579 H LEU 78 HN LEU 78 4.228 7.506 5.526 580 HA LEU 78 HA LEU 78 2.362 5.985 6.792 581 HB2 LEU 78 HB2 LEU 78 2.217 7.074 4.592 582 HB3 LEU 78 HB1 LEU 78 3.284 5.867 3.940 583 HG LEU 78 HG LEU 78 0.681 5.797 3.590 584 HD11 LEU 78 HD11 LEU 78 2.508 3.458 3.973 585 HD12 LEU 78 HD12 LEU 78 2.107 4.311 2.469 586 HD13 LEU 78 HD13 LEU 78 0.885 3.334 3.292 587 HD21 LEU 78 HD21 LEU 78 -0.135 3.954 5.205 588 HD22 LEU 78 HD22 LEU 78 -0.174 5.644 5.701 589 HD23 LEU 78 HD23 LEU 78 1.122 4.589 6.276 590 H ILE 79 HN ILE 79 4.884 4.664 4.667 591 HA ILE 79 HA ILE 79 4.346 1.958 5.468 592 HB ILE 79 HB ILE 79 6.153 1.368 3.979 593 HG12 ILE 79 HG12 ILE 79 6.755 4.312 4.026 594 HG13 ILE 79 HG11 ILE 79 7.833 2.978 4.428 595 HG21 ILE 79 HG21 ILE 79 4.449 3.598 2.896 596 HG22 ILE 79 HG22 ILE 79 4.055 1.876 2.924 597 HG23 ILE 79 HG23 ILE 79 5.386 2.461 1.922 598 HD11 ILE 79 HD11 ILE 79 6.831 3.839 1.746 599 HD12 ILE 79 HD12 ILE 79 7.599 2.269 2.017 600 HD13 ILE 79 HD13 ILE 79 8.497 3.757 2.321 601 H PHE 80 HN PHE 80 5.787 4.236 7.212 602 HA PHE 80 HA PHE 80 7.605 2.289 8.453 603 HB2 PHE 80 HB2 PHE 80 7.773 5.310 8.464 604 HB3 PHE 80 HB1 PHE 80 8.850 4.239 9.356 605 HD1 PHE 80 HD1 PHE 80 9.068 6.310 6.823 606 HD2 PHE 80 HD2 PHE 80 9.370 2.110 7.435 607 HE1 PHE 80 HE1 PHE 80 10.472 6.120 4.816 608 HE2 PHE 80 HE2 PHE 80 10.775 1.901 5.427 609 HZ PHE 80 HZ PHE 80 11.337 3.917 4.118 610 H ASP 81 HN ASP 81 4.795 4.010 8.593 611 HA ASP 81 HA ASP 81 4.400 3.852 11.451 612 HB2 ASP 81 HB2 ASP 81 3.284 5.450 9.594 613 HB3 ASP 81 HB1 ASP 81 2.156 4.112 9.541 614 H HIS 82 HN HIS 82 3.537 2.340 8.475 615 HA HIS 82 HA HIS 82 2.600 -0.065 9.853 616 HB2 HIS 82 HB2 HIS 82 1.760 0.889 7.105 617 HB3 HIS 82 HB1 HIS 82 1.042 -0.407 8.051 618 HD1 HIS 82 HD1 HIS 82 -0.477 0.297 10.073 619 HD2 HIS 82 HD2 HIS 82 0.949 3.451 7.755 620 HE1 HIS 82 HE1 HIS 82 -1.727 2.330 10.859 621 HE2 HIS 82 HE2 HIS 82 -0.668 4.251 9.620 622 HA PRO 83 HA PRO 83 6.605 -0.947 8.450 623 HB2 PRO 83 HB2 PRO 83 6.646 -3.628 9.070 624 HB3 PRO 83 HB1 PRO 83 6.863 -2.327 10.246 625 HG2 PRO 83 HG2 PRO 83 4.386 -3.882 9.577 626 HG3 PRO 83 HG1 PRO 83 5.013 -3.399 11.168 627 HD2 PRO 83 HD2 PRO 83 3.017 -2.048 10.001 628 HD3 PRO 83 HD1 PRO 83 4.265 -1.212 10.932 629 H THR 84 HN THR 84 4.064 -3.179 7.354 630 HA THR 84 HA THR 84 5.766 -3.796 5.052 631 HB THR 84 HB THR 84 4.746 -6.008 5.007 632 HG1 THR 84 HG1 THR 84 3.589 -6.395 7.231 633 HG21 THR 84 HG21 THR 84 5.817 -5.354 7.756 634 HG22 THR 84 HG22 THR 84 6.805 -5.665 6.330 635 HG23 THR 84 HG23 THR 84 5.790 -6.946 6.995 636 HA PRO 85 HA PRO 85 2.450 -2.628 2.338 637 HB2 PRO 85 HB2 PRO 85 2.799 -5.218 0.960 638 HB3 PRO 85 HB1 PRO 85 2.946 -3.586 0.316 639 HG2 PRO 85 HG2 PRO 85 5.087 -5.166 0.740 640 HG3 PRO 85 HG1 PRO 85 5.152 -3.402 0.901 641 HD2 PRO 85 HD2 PRO 85 5.079 -5.490 3.008 642 HD3 PRO 85 HD1 PRO 85 5.868 -3.908 3.017 643 H HIS 86 HN HIS 86 2.621 -5.489 4.103 644 HA HIS 86 HA HIS 86 -0.090 -6.380 3.733 645 HB2 HIS 86 HB2 HIS 86 1.255 -8.096 4.481 646 HB3 HIS 86 HB1 HIS 86 2.224 -7.048 5.483 647 HD1 HIS 86 HD1 HIS 86 -0.480 -9.493 5.641 648 HD2 HIS 86 HD2 HIS 86 0.910 -6.353 7.994 649 HE1 HIS 86 HE1 HIS 86 -1.450 -9.882 7.925 650 HE2 HIS 86 HE2 HIS 86 -0.457 -8.078 9.377 651 H ALA 87 HN ALA 87 1.723 -4.547 6.135 652 HA ALA 87 HA ALA 87 -0.508 -4.051 7.855 653 HB1 ALA 87 HB1 ALA 87 2.157 -2.640 7.737 654 HB2 ALA 87 HB2 ALA 87 1.830 -4.107 8.662 655 HB3 ALA 87 HB3 ALA 87 1.010 -2.602 9.077 656 H VAL 88 HN VAL 88 0.808 -2.665 5.084 657 HA VAL 88 HA VAL 88 -0.349 -0.040 5.505 658 HB VAL 88 HB VAL 88 1.149 -1.283 3.221 659 HG11 VAL 88 HG11 VAL 88 0.058 1.502 3.459 660 HG12 VAL 88 HG12 VAL 88 -0.412 0.268 2.289 661 HG13 VAL 88 HG13 VAL 88 1.205 0.972 2.228 662 HG21 VAL 88 HG21 VAL 88 2.524 -0.797 5.145 663 HG22 VAL 88 HG22 VAL 88 1.911 0.861 5.190 664 HG23 VAL 88 HG23 VAL 88 2.902 0.323 3.835 665 H ALA 89 HN ALA 89 -0.827 -2.847 3.431 666 HA ALA 89 HA ALA 89 -2.937 -1.787 1.936 667 HB1 ALA 89 HB1 ALA 89 -2.445 -4.660 2.689 668 HB2 ALA 89 HB2 ALA 89 -1.802 -3.816 1.277 669 HB3 ALA 89 HB3 ALA 89 -3.538 -4.093 1.421 670 H GLU 90 HN GLU 90 -2.941 -3.540 5.073 671 HA GLU 90 HA GLU 90 -5.802 -3.500 5.215 672 HB2 GLU 90 HB2 GLU 90 -5.427 -4.060 7.632 673 HB3 GLU 90 HB1 GLU 90 -4.673 -5.167 6.491 674 HG2 GLU 90 HG2 GLU 90 -2.537 -4.114 6.830 675 HG3 GLU 90 HG1 GLU 90 -3.258 -2.934 7.919 676 H HIS 91 HN HIS 91 -3.230 -1.363 6.077 677 HA HIS 91 HA HIS 91 -4.716 0.479 7.570 678 HB2 HIS 91 HB2 HIS 91 -2.363 0.666 7.704 679 HB3 HIS 91 HB1 HIS 91 -2.190 0.728 5.948 680 HD1 HIS 91 HD1 HIS 91 -3.543 2.857 8.810 681 HD2 HIS 91 HD2 HIS 91 -2.195 3.192 4.894 682 HE1 HIS 91 HE1 HIS 91 -3.459 5.325 8.338 683 HE2 HIS 91 HE2 HIS 91 -2.782 5.509 5.927 684 H LEU 92 HN LEU 92 -4.500 -0.189 4.192 685 HA LEU 92 HA LEU 92 -5.640 2.286 3.360 686 HB2 LEU 92 HB2 LEU 92 -4.876 -0.265 2.052 687 HB3 LEU 92 HB1 LEU 92 -6.104 0.708 1.254 688 HG LEU 92 HG LEU 92 -4.645 2.474 0.855 689 HD11 LEU 92 HD11 LEU 92 -3.712 2.954 2.950 690 HD12 LEU 92 HD12 LEU 92 -2.331 2.506 1.945 691 HD13 LEU 92 HD13 LEU 92 -2.995 1.348 3.092 692 HD21 LEU 92 HD21 LEU 92 -2.633 1.515 -0.125 693 HD22 LEU 92 HD22 LEU 92 -4.061 0.548 -0.499 694 HD23 LEU 92 HD23 LEU 92 -2.931 0.010 0.744 695 H LEU 93 HN LEU 93 -6.839 -0.557 4.725 696 HA LEU 93 HA LEU 93 -9.533 -0.412 3.730 697 HB2 LEU 93 HB2 LEU 93 -8.291 -1.810 6.072 698 HB3 LEU 93 HB1 LEU 93 -10.021 -1.820 5.807 699 HG LEU 93 HG LEU 93 -9.845 -3.190 3.919 700 HD11 LEU 93 HD11 LEU 93 -6.907 -2.511 3.874 701 HD12 LEU 93 HD12 LEU 93 -8.133 -2.044 2.690 702 HD13 LEU 93 HD13 LEU 93 -7.671 -3.740 2.856 703 HD21 LEU 93 HD21 LEU 93 -9.353 -4.311 6.047 704 HD22 LEU 93 HD22 LEU 93 -7.629 -4.048 5.764 705 HD23 LEU 93 HD23 LEU 93 -8.559 -5.084 4.676 706 H GLU 94 HN GLU 94 -7.675 0.840 6.308 707 HA GLU 94 HA GLU 94 -9.636 1.850 8.017 708 HB2 GLU 94 HB2 GLU 94 -6.834 2.654 7.321 709 HB3 GLU 94 HB1 GLU 94 -7.759 3.531 8.545 710 HG2 GLU 94 HG2 GLU 94 -6.964 0.631 8.579 711 HG3 GLU 94 HG1 GLU 94 -6.346 1.915 9.613 712 H GLN 95 HN GLN 95 -8.410 2.936 4.972 713 HA GLN 95 HA GLN 95 -9.489 5.594 5.153 714 HB2 GLN 95 HB2 GLN 95 -8.524 4.225 2.664 715 HB3 GLN 95 HB1 GLN 95 -8.386 5.920 3.113 716 HG2 GLN 95 HG2 GLN 95 -6.940 3.718 4.546 717 HG3 GLN 95 HG1 GLN 95 -6.262 4.583 3.178 718 HE21 GLN 95 HE21 GLN 95 -5.474 4.367 5.983 719 HE22 GLN 95 HE22 GLN 95 -5.341 5.990 6.563 720 H ILE 96 HN ILE 96 -10.518 2.491 4.191 721 HA ILE 96 HA ILE 96 -12.203 3.211 2.019 722 HB ILE 96 HB ILE 96 -11.983 0.668 3.610 723 HG12 ILE 96 HG12 ILE 96 -9.905 1.541 2.610 724 HG13 ILE 96 HG11 ILE 96 -10.390 -0.009 1.964 725 HG21 ILE 96 HG21 ILE 96 -14.033 0.829 2.201 726 HG22 ILE 96 HG22 ILE 96 -12.938 -0.488 1.775 727 HG23 ILE 96 HG23 ILE 96 -12.970 0.979 0.798 728 HD11 ILE 96 HD11 ILE 96 -11.151 0.992 -0.051 729 HD12 ILE 96 HD12 ILE 96 -9.540 1.634 0.291 730 HD13 ILE 96 HD13 ILE 96 -10.973 2.612 0.625 731 HA PRO 97 HA PRO 97 -15.779 4.451 4.144 732 HB2 PRO 97 HB2 PRO 97 -17.554 4.329 2.162 733 HB3 PRO 97 HB1 PRO 97 -16.168 5.428 2.092 734 HG2 PRO 97 HG2 PRO 97 -16.459 2.704 0.876 735 HG3 PRO 97 HG1 PRO 97 -15.925 4.201 0.105 736 HD2 PRO 97 HD2 PRO 97 -14.192 2.362 1.017 737 HD3 PRO 97 HD1 PRO 97 -13.842 4.087 1.058 738 H GLY 98 HN GLY 98 -15.949 2.590 5.634 739 HA2 GLY 98 HA2 GLY 98 -17.574 1.389 6.775 740 HA3 GLY 98 HA1 GLY 98 -18.618 1.529 5.372 741 H ILE 99 HN ILE 99 -17.650 0.239 3.426 742 HA ILE 99 HA ILE 99 -17.855 -2.482 3.795 743 HB ILE 99 HB ILE 99 -16.530 -2.682 1.671 744 HG12 ILE 99 HG12 ILE 99 -16.261 0.249 2.110 745 HG13 ILE 99 HG11 ILE 99 -14.983 -0.928 2.012 746 HG21 ILE 99 HG21 ILE 99 -18.958 -2.340 1.634 747 HG22 ILE 99 HG22 ILE 99 -18.155 -1.597 0.252 748 HG23 ILE 99 HG23 ILE 99 -18.692 -0.597 1.604 749 HD11 ILE 99 HD11 ILE 99 -16.761 -0.162 -0.276 750 HD12 ILE 99 HD12 ILE 99 -15.351 -1.227 -0.317 751 HD13 ILE 99 HD13 ILE 99 -15.150 0.493 0.041 752 H GLY 100 HN GLY 100 -15.044 -0.444 4.021 753 HA2 GLY 100 HA2 GLY 100 -13.330 -2.769 4.509 754 HA3 GLY 100 HA1 GLY 100 -12.812 -1.227 3.822 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 -16.455 14.163 -3.952 2 H2 GLY 1 HT2 GLY 1 -15.679 14.408 -2.475 3 H3 GLY 1 HT3 GLY 1 -17.005 13.366 -2.567 4 HA2 GLY 1 HA1 GLY 1 -14.963 12.103 -2.434 5 HA3 GLY 1 HA2 GLY 1 -15.770 11.857 -3.976 6 H SER 2 HN SER 2 -12.906 11.637 -3.160 7 HA SER 2 HA SER 2 -11.849 13.308 -5.322 8 HB2 SER 2 HB2 SER 2 -10.536 13.002 -2.612 9 HB3 SER 2 HB1 SER 2 -9.880 13.890 -3.988 10 HG SER 2 HG SER 2 -12.192 14.924 -3.732 11 H THR 3 HN THR 3 -12.167 11.159 -6.329 12 HA THR 3 HA THR 3 -11.083 9.550 -7.509 13 HB THR 3 HB THR 3 -8.737 10.158 -5.709 14 HG1 THR 3 HG1 THR 3 -8.287 10.718 -8.258 15 HG21 THR 3 HG21 THR 3 -8.789 8.434 -8.188 16 HG22 THR 3 HG22 THR 3 -8.665 7.828 -6.533 17 HG23 THR 3 HG23 THR 3 -7.374 8.830 -7.209 18 H ALA 4 HN ALA 4 -11.488 9.368 -4.092 19 HA ALA 4 HA ALA 4 -10.480 6.850 -3.507 20 HB1 ALA 4 HB1 ALA 4 -13.000 8.068 -2.370 21 HB2 ALA 4 HB2 ALA 4 -11.360 8.421 -1.822 22 HB3 ALA 4 HB3 ALA 4 -12.024 6.798 -1.631 23 H THR 5 HN THR 5 -13.679 7.676 -4.807 24 HA THR 5 HA THR 5 -14.919 5.257 -5.007 25 HB THR 5 HB THR 5 -14.828 7.368 -7.164 26 HG1 THR 5 HG1 THR 5 -15.940 7.287 -4.632 27 HG21 THR 5 HG21 THR 5 -16.942 5.309 -6.508 28 HG22 THR 5 HG22 THR 5 -15.899 5.305 -7.929 29 HG23 THR 5 HG23 THR 5 -17.093 6.585 -7.718 30 H LEU 6 HN LEU 6 -12.085 6.212 -6.745 31 HA LEU 6 HA LEU 6 -12.068 4.365 -8.834 32 HB2 LEU 6 HB2 LEU 6 -10.429 6.050 -8.839 33 HB3 LEU 6 HB1 LEU 6 -9.970 5.716 -7.185 34 HG LEU 6 HG LEU 6 -8.885 3.617 -7.934 35 HD11 LEU 6 HD11 LEU 6 -10.204 3.212 -9.951 36 HD12 LEU 6 HD12 LEU 6 -8.481 3.274 -10.320 37 HD13 LEU 6 HD13 LEU 6 -9.515 4.652 -10.698 38 HD21 LEU 6 HD21 LEU 6 -7.929 6.082 -9.383 39 HD22 LEU 6 HD22 LEU 6 -6.953 4.702 -8.877 40 HD23 LEU 6 HD23 LEU 6 -7.680 5.763 -7.664 41 H LEU 7 HN LEU 7 -10.248 4.064 -5.783 42 HA LEU 7 HA LEU 7 -10.007 1.230 -6.174 43 HB2 LEU 7 HB2 LEU 7 -8.631 3.185 -4.734 44 HB3 LEU 7 HB1 LEU 7 -9.327 2.121 -3.523 45 HG LEU 7 HG LEU 7 -7.043 1.439 -4.172 46 HD11 LEU 7 HD11 LEU 7 -9.147 -0.553 -5.006 47 HD12 LEU 7 HD12 LEU 7 -8.803 -0.115 -3.333 48 HD13 LEU 7 HD13 LEU 7 -7.553 -0.893 -4.313 49 HD21 LEU 7 HD21 LEU 7 -8.268 0.692 -6.822 50 HD22 LEU 7 HD22 LEU 7 -6.578 0.554 -6.336 51 HD23 LEU 7 HD23 LEU 7 -7.303 2.146 -6.575 52 H THR 8 HN THR 8 -11.930 3.349 -4.203 53 HA THR 8 HA THR 8 -12.873 1.594 -2.267 54 HB THR 8 HB THR 8 -14.096 3.986 -3.585 55 HG1 THR 8 HG1 THR 8 -12.456 4.575 -2.273 56 HG21 THR 8 HG21 THR 8 -15.924 2.528 -2.756 57 HG22 THR 8 HG22 THR 8 -15.813 4.051 -1.876 58 HG23 THR 8 HG23 THR 8 -15.188 2.570 -1.154 59 H SER 9 HN SER 9 -13.885 2.046 -5.587 60 HA SER 9 HA SER 9 -16.228 0.448 -5.445 61 HB2 SER 9 HB2 SER 9 -14.506 1.424 -7.718 62 HB3 SER 9 HB1 SER 9 -15.977 0.473 -7.981 63 HG SER 9 HG SER 9 -15.653 3.107 -7.300 64 H LYS 10 HN LYS 10 -12.866 -0.265 -5.682 65 HA LYS 10 HA LYS 10 -13.113 -2.947 -6.598 66 HB2 LYS 10 HB2 LYS 10 -10.968 -1.573 -6.571 67 HB3 LYS 10 HB1 LYS 10 -10.947 -1.814 -4.824 68 HG2 LYS 10 HG2 LYS 10 -9.499 -3.424 -5.682 69 HG3 LYS 10 HG1 LYS 10 -10.982 -4.293 -5.306 70 HD2 LYS 10 HD2 LYS 10 -10.450 -3.228 -8.055 71 HD3 LYS 10 HD1 LYS 10 -9.816 -4.795 -7.547 72 HE2 LYS 10 HE2 LYS 10 -12.320 -5.216 -6.853 73 HE3 LYS 10 HE1 LYS 10 -12.633 -3.926 -8.012 74 HZ1 LYS 10 HZ1 LYS 10 -12.784 -6.023 -9.111 75 HZ2 LYS 10 HZ2 LYS 10 -11.256 -6.489 -8.568 76 HZ3 LYS 10 HZ3 LYS 10 -11.406 -5.223 -9.680 77 H LEU 11 HN LEU 11 -12.504 -1.521 -3.421 78 HA LEU 11 HA LEU 11 -12.552 -3.923 -1.981 79 HB2 LEU 11 HB2 LEU 11 -13.253 -1.177 -0.959 80 HB3 LEU 11 HB1 LEU 11 -12.862 -2.562 0.030 81 HG LEU 11 HG LEU 11 -10.855 -1.480 0.068 82 HD11 LEU 11 HD11 LEU 11 -9.306 -2.593 -1.382 83 HD12 LEU 11 HD12 LEU 11 -10.596 -2.972 -2.530 84 HD13 LEU 11 HD13 LEU 11 -10.582 -3.730 -0.930 85 HD21 LEU 11 HD21 LEU 11 -11.718 0.312 -1.502 86 HD22 LEU 11 HD22 LEU 11 -11.070 -0.670 -2.820 87 HD23 LEU 11 HD23 LEU 11 -9.991 -0.033 -1.577 88 H ALA 12 HN ALA 12 -15.112 -1.892 -3.090 89 HA ALA 12 HA ALA 12 -17.237 -2.759 -1.517 90 HB1 ALA 12 HB1 ALA 12 -18.652 -2.130 -3.426 91 HB2 ALA 12 HB2 ALA 12 -17.216 -2.038 -4.447 92 HB3 ALA 12 HB3 ALA 12 -17.412 -0.919 -3.097 93 H GLY 13 HN GLY 13 -15.544 -4.340 -4.122 94 HA2 GLY 13 HA2 GLY 13 -17.519 -6.469 -4.330 95 HA3 GLY 13 HA1 GLY 13 -16.049 -6.304 -5.281 96 H LEU 14 HN LEU 14 -14.856 -5.811 -2.362 97 HA LEU 14 HA LEU 14 -14.239 -8.644 -1.975 98 HB2 LEU 14 HB2 LEU 14 -12.821 -6.156 -1.136 99 HB3 LEU 14 HB1 LEU 14 -12.375 -7.717 -0.555 100 HG LEU 14 HG LEU 14 -10.891 -7.638 -2.209 101 HD11 LEU 14 HD11 LEU 14 -13.314 -8.257 -3.873 102 HD12 LEU 14 HD12 LEU 14 -12.428 -9.407 -2.866 103 HD13 LEU 14 HD13 LEU 14 -11.639 -8.661 -4.263 104 HD21 LEU 14 HD21 LEU 14 -11.133 -6.200 -4.192 105 HD22 LEU 14 HD22 LEU 14 -11.289 -5.336 -2.657 106 HD23 LEU 14 HD23 LEU 14 -12.728 -5.721 -3.604 107 H THR 15 HN THR 15 -13.754 -9.271 0.184 108 HA THR 15 HA THR 15 -15.383 -7.989 2.247 109 HB THR 15 HB THR 15 -15.003 -10.008 3.538 110 HG1 THR 15 HG1 THR 15 -13.670 -11.556 1.808 111 HG21 THR 15 HG21 THR 15 -16.740 -10.165 1.835 112 HG22 THR 15 HG22 THR 15 -15.924 -11.719 2.014 113 HG23 THR 15 HG23 THR 15 -15.542 -10.672 0.642 114 H ALA 16 HN ALA 16 -14.159 -7.698 4.392 115 HA ALA 16 HA ALA 16 -12.091 -5.934 4.121 116 HB1 ALA 16 HB1 ALA 16 -11.588 -6.291 6.474 117 HB2 ALA 16 HB2 ALA 16 -12.463 -7.821 6.451 118 HB3 ALA 16 HB3 ALA 16 -13.332 -6.306 6.210 119 H THR 17 HN THR 17 -11.795 -9.444 4.451 120 HA THR 17 HA THR 17 -8.984 -9.542 4.621 121 HB THR 17 HB THR 17 -10.960 -11.627 3.686 122 HG1 THR 17 HG1 THR 17 -11.387 -11.588 5.762 123 HG21 THR 17 HG21 THR 17 -8.682 -12.092 2.888 124 HG22 THR 17 HG22 THR 17 -9.213 -13.262 4.097 125 HG23 THR 17 HG23 THR 17 -8.094 -11.978 4.546 126 H GLU 18 HN GLU 18 -11.185 -9.835 1.811 127 HA GLU 18 HA GLU 18 -9.080 -10.276 -0.015 128 HB2 GLU 18 HB2 GLU 18 -11.924 -9.395 -0.437 129 HB3 GLU 18 HB1 GLU 18 -10.828 -9.921 -1.695 130 HG2 GLU 18 HG2 GLU 18 -10.733 -12.127 -0.706 131 HG3 GLU 18 HG1 GLU 18 -11.774 -11.585 0.607 132 H GLN 19 HN GLN 19 -10.755 -7.483 1.237 133 HA GLN 19 HA GLN 19 -9.775 -5.535 -0.532 134 HB2 GLN 19 HB2 GLN 19 -10.441 -5.341 2.402 135 HB3 GLN 19 HB1 GLN 19 -10.250 -3.973 1.326 136 HG2 GLN 19 HG2 GLN 19 -12.126 -4.666 0.039 137 HG3 GLN 19 HG1 GLN 19 -12.270 -6.143 0.957 138 HE21 GLN 19 HE21 GLN 19 -14.287 -4.219 0.541 139 HE22 GLN 19 HE22 GLN 19 -14.723 -3.588 2.099 140 H ARG 20 HN ARG 20 -8.473 -6.973 2.413 141 HA ARG 20 HA ARG 20 -6.016 -5.603 2.520 142 HB2 ARG 20 HB2 ARG 20 -6.116 -8.574 2.925 143 HB3 ARG 20 HB1 ARG 20 -5.159 -7.379 3.781 144 HG2 ARG 20 HG2 ARG 20 -7.146 -6.600 4.921 145 HG3 ARG 20 HG1 ARG 20 -8.130 -7.784 4.039 146 HD2 ARG 20 HD2 ARG 20 -6.825 -9.582 5.028 147 HD3 ARG 20 HD1 ARG 20 -5.818 -8.421 5.880 148 HE ARG 20 HE ARG 20 -8.485 -7.970 6.591 149 HH11 ARG 20 HH11 ARG 20 -5.982 -10.377 6.977 150 HH12 ARG 20 HH12 ARG 20 -6.582 -10.950 8.500 151 HH21 ARG 20 HH21 ARG 20 -9.287 -8.717 8.605 152 HH22 ARG 20 HH22 ARG 20 -8.471 -10.012 9.422 153 H ALA 21 HN ALA 21 -6.979 -8.531 0.843 154 HA ALA 21 HA ALA 21 -4.477 -9.274 -0.149 155 HB1 ALA 21 HB1 ALA 21 -5.687 -10.793 -1.591 156 HB2 ALA 21 HB2 ALA 21 -7.180 -9.895 -1.317 157 HB3 ALA 21 HB3 ALA 21 -6.418 -10.765 0.015 158 H VAL 22 HN VAL 22 -6.921 -7.181 -1.547 159 HA VAL 22 HA VAL 22 -5.779 -7.248 -4.155 160 HB VAL 22 HB VAL 22 -7.325 -5.325 -4.644 161 HG11 VAL 22 HG11 VAL 22 -7.914 -7.725 -4.939 162 HG12 VAL 22 HG12 VAL 22 -9.300 -6.687 -4.619 163 HG13 VAL 22 HG13 VAL 22 -8.643 -7.698 -3.332 164 HG21 VAL 22 HG21 VAL 22 -8.173 -5.799 -1.780 165 HG22 VAL 22 HG22 VAL 22 -9.051 -4.814 -2.954 166 HG23 VAL 22 HG23 VAL 22 -7.438 -4.330 -2.428 167 H THR 23 HN THR 23 -5.641 -4.786 -1.533 168 HA THR 23 HA THR 23 -3.665 -3.452 -3.191 169 HB THR 23 HB THR 23 -5.165 -1.946 -2.283 170 HG1 THR 23 HG1 THR 23 -3.047 -1.368 -0.614 171 HG21 THR 23 HG21 THR 23 -4.350 -2.777 0.472 172 HG22 THR 23 HG22 THR 23 -5.865 -3.249 -0.294 173 HG23 THR 23 HG23 THR 23 -5.540 -1.548 0.060 174 H ARG 24 HN ARG 24 -3.655 -5.731 -0.662 175 HA ARG 24 HA ARG 24 -0.962 -5.297 0.152 176 HB2 ARG 24 HB2 ARG 24 -2.346 -6.955 1.291 177 HB3 ARG 24 HB1 ARG 24 -2.542 -7.859 -0.200 178 HG2 ARG 24 HG2 ARG 24 0.129 -7.887 -0.019 179 HG3 ARG 24 HG1 ARG 24 -0.289 -7.791 1.696 180 HD2 ARG 24 HD2 ARG 24 -1.676 -9.749 1.508 181 HD3 ARG 24 HD1 ARG 24 -1.428 -9.793 -0.231 182 HE ARG 24 HE ARG 24 0.700 -10.289 1.746 183 HH11 ARG 24 HH11 ARG 24 -0.849 -10.933 -1.330 184 HH12 ARG 24 HH12 ARG 24 0.303 -12.137 -1.805 185 HH21 ARG 24 HH21 ARG 24 2.209 -11.884 1.126 186 HH22 ARG 24 HH22 ARG 24 2.039 -12.683 -0.404 187 H LYS 25 HN LYS 25 -2.481 -6.012 -2.711 188 HA LYS 25 HA LYS 25 -0.083 -6.941 -4.039 189 HB2 LYS 25 HB2 LYS 25 -1.852 -8.312 -4.628 190 HB3 LYS 25 HB1 LYS 25 -3.028 -7.020 -4.525 191 HG2 LYS 25 HG2 LYS 25 -2.801 -7.748 -6.792 192 HG3 LYS 25 HG1 LYS 25 -2.198 -6.104 -6.606 193 HD2 LYS 25 HD2 LYS 25 0.090 -6.907 -6.619 194 HD3 LYS 25 HD1 LYS 25 -0.472 -8.579 -6.667 195 HE2 LYS 25 HE2 LYS 25 0.222 -7.866 -8.877 196 HE3 LYS 25 HE1 LYS 25 -1.516 -8.152 -8.847 197 HZ1 LYS 25 HZ1 LYS 25 -1.874 -5.774 -8.661 198 HZ2 LYS 25 HZ2 LYS 25 -0.962 -6.127 -10.041 199 HZ3 LYS 25 HZ3 LYS 25 -0.206 -5.496 -8.669 200 H LEU 26 HN LEU 26 -2.426 -4.241 -3.832 201 HA LEU 26 HA LEU 26 -1.299 -2.750 -5.960 202 HB2 LEU 26 HB2 LEU 26 -3.574 -2.381 -5.281 203 HB3 LEU 26 HB1 LEU 26 -3.060 -1.942 -3.670 204 HG LEU 26 HG LEU 26 -3.795 -0.089 -5.282 205 HD11 LEU 26 HD11 LEU 26 -1.186 0.265 -3.876 206 HD12 LEU 26 HD12 LEU 26 -2.730 0.093 -3.043 207 HD13 LEU 26 HD13 LEU 26 -2.459 1.464 -4.129 208 HD21 LEU 26 HD21 LEU 26 -2.077 0.877 -6.661 209 HD22 LEU 26 HD22 LEU 26 -2.411 -0.780 -7.176 210 HD23 LEU 26 HD23 LEU 26 -0.971 -0.428 -6.222 211 H VAL 27 HN VAL 27 -0.975 -2.297 -2.386 212 HA VAL 27 HA VAL 27 0.867 -0.202 -2.544 213 HB VAL 27 HB VAL 27 -0.081 -0.719 -0.378 214 HG11 VAL 27 HG11 VAL 27 -0.382 -3.065 -0.463 215 HG12 VAL 27 HG12 VAL 27 0.724 -2.739 0.875 216 HG13 VAL 27 HG13 VAL 27 1.345 -3.347 -0.662 217 HG21 VAL 27 HG21 VAL 27 2.119 0.346 -0.370 218 HG22 VAL 27 HG22 VAL 27 2.896 -1.244 -0.386 219 HG23 VAL 27 HG23 VAL 27 1.943 -0.739 1.013 220 H LEU 28 HN LEU 28 1.211 -3.611 -2.692 221 HA LEU 28 HA LEU 28 3.974 -3.907 -2.742 222 HB2 LEU 28 HB2 LEU 28 1.857 -5.556 -2.774 223 HB3 LEU 28 HB1 LEU 28 2.272 -5.609 -4.471 224 HG LEU 28 HG LEU 28 4.405 -6.568 -4.005 225 HD11 LEU 28 HD11 LEU 28 3.744 -5.961 -1.141 226 HD12 LEU 28 HD12 LEU 28 5.068 -5.305 -2.108 227 HD13 LEU 28 HD13 LEU 28 5.073 -7.007 -1.649 228 HD21 LEU 28 HD21 LEU 28 2.651 -8.184 -4.015 229 HD22 LEU 28 HD22 LEU 28 2.170 -7.758 -2.369 230 HD23 LEU 28 HD23 LEU 28 3.710 -8.582 -2.657 231 H ASP 29 HN ASP 29 1.633 -3.449 -5.308 232 HA ASP 29 HA ASP 29 3.426 -3.628 -7.490 233 HB2 ASP 29 HB2 ASP 29 0.899 -3.860 -7.546 234 HB3 ASP 29 HB1 ASP 29 0.822 -2.110 -7.420 235 H GLN 30 HN GLN 30 2.047 -0.944 -5.673 236 HA GLN 30 HA GLN 30 3.220 1.157 -7.064 237 HB2 GLN 30 HB2 GLN 30 2.606 0.958 -4.137 238 HB3 GLN 30 HB1 GLN 30 2.796 2.443 -5.057 239 HG2 GLN 30 HG2 GLN 30 0.603 0.403 -5.343 240 HG3 GLN 30 HG1 GLN 30 0.484 2.047 -4.727 241 HE21 GLN 30 HE21 GLN 30 0.854 0.069 -7.547 242 HE22 GLN 30 HE22 GLN 30 0.498 1.302 -8.711 243 H ALA 31 HN ALA 31 4.305 -0.609 -4.225 244 HA ALA 31 HA ALA 31 6.701 0.797 -3.761 245 HB1 ALA 31 HB1 ALA 31 7.329 -1.122 -2.424 246 HB2 ALA 31 HB2 ALA 31 6.093 -2.109 -3.216 247 HB3 ALA 31 HB3 ALA 31 5.617 -0.764 -2.172 248 H ALA 32 HN ALA 32 5.792 -1.762 -5.862 249 HA ALA 32 HA ALA 32 8.360 -2.541 -6.726 250 HB1 ALA 32 HB1 ALA 32 6.851 -3.306 -8.754 251 HB2 ALA 32 HB2 ALA 32 5.529 -2.881 -7.649 252 HB3 ALA 32 HB3 ALA 32 6.733 -4.100 -7.183 253 H SER 33 HN SER 33 5.921 -0.289 -7.940 254 HA SER 33 HA SER 33 7.205 0.555 -10.267 255 HB2 SER 33 HB2 SER 33 4.932 1.171 -9.902 256 HB3 SER 33 HB1 SER 33 5.304 1.894 -8.341 257 HG SER 33 HG SER 33 5.298 3.027 -10.777 258 H VAL 34 HN VAL 34 7.477 1.611 -6.942 259 HA VAL 34 HA VAL 34 9.169 3.815 -7.297 260 HB VAL 34 HB VAL 34 9.166 1.965 -4.929 261 HG11 VAL 34 HG11 VAL 34 9.594 4.074 -3.693 262 HG12 VAL 34 HG12 VAL 34 9.695 4.915 -5.240 263 HG13 VAL 34 HG13 VAL 34 10.867 3.660 -4.841 264 HG21 VAL 34 HG21 VAL 34 7.238 4.183 -5.527 265 HG22 VAL 34 HG22 VAL 34 7.351 3.272 -4.021 266 HG23 VAL 34 HG23 VAL 34 6.893 2.455 -5.509 267 H LEU 35 HN LEU 35 9.804 0.565 -6.142 268 HA LEU 35 HA LEU 35 12.530 0.923 -5.795 269 HB2 LEU 35 HB2 LEU 35 10.534 -1.151 -5.619 270 HB3 LEU 35 HB1 LEU 35 12.131 -1.776 -6.001 271 HG LEU 35 HG LEU 35 12.929 -1.331 -3.910 272 HD11 LEU 35 HD11 LEU 35 11.006 0.994 -3.743 273 HD12 LEU 35 HD12 LEU 35 12.756 1.083 -3.962 274 HD13 LEU 35 HD13 LEU 35 12.090 0.491 -2.442 275 HD21 LEU 35 HD21 LEU 35 9.959 -1.548 -3.739 276 HD22 LEU 35 HD22 LEU 35 10.959 -1.486 -2.280 277 HD23 LEU 35 HD23 LEU 35 11.186 -2.785 -3.451 278 H GLY 36 HN GLY 36 10.756 -0.083 -8.643 279 HA2 GLY 36 HA2 GLY 36 12.189 0.364 -10.687 280 HA3 GLY 36 HA1 GLY 36 13.346 -0.691 -9.888 281 H TYR 37 HN TYR 37 10.141 -1.587 -9.412 282 HA TYR 37 HA TYR 37 10.742 -4.023 -10.924 283 HB2 TYR 37 HB2 TYR 37 8.679 -3.603 -8.767 284 HB3 TYR 37 HB1 TYR 37 9.273 -5.132 -9.385 285 HD1 TYR 37 HD1 TYR 37 9.140 -4.215 -6.512 286 HD2 TYR 37 HD2 TYR 37 12.254 -4.059 -9.391 287 HE1 TYR 37 HE1 TYR 37 10.784 -4.282 -4.714 288 HE2 TYR 37 HE2 TYR 37 13.927 -4.105 -7.607 289 HH TYR 37 HH TYR 37 14.154 -3.677 -5.277 290 H ALA 38 HN ALA 38 8.888 -5.185 -11.836 291 HA ALA 38 HA ALA 38 6.794 -3.363 -12.827 292 HB1 ALA 38 HB1 ALA 38 6.945 -4.365 -15.018 293 HB2 ALA 38 HB2 ALA 38 8.201 -5.468 -14.456 294 HB3 ALA 38 HB3 ALA 38 8.524 -3.738 -14.547 295 H SER 39 HN SER 39 7.539 -6.195 -11.212 296 HA SER 39 HA SER 39 4.848 -7.248 -11.593 297 HB2 SER 39 HB2 SER 39 7.339 -8.927 -11.991 298 HB3 SER 39 HB1 SER 39 5.674 -9.511 -12.055 299 HG SER 39 HG SER 39 7.161 -8.138 -13.933 300 H THR 40 HN THR 40 6.425 -5.922 -9.472 301 HA THR 40 HA THR 40 7.094 -6.076 -7.308 302 HB THR 40 HB THR 40 5.584 -7.382 -5.804 303 HG1 THR 40 HG1 THR 40 4.969 -8.623 -8.132 304 HG21 THR 40 HG21 THR 40 4.316 -5.614 -7.889 305 HG22 THR 40 HG22 THR 40 5.004 -5.115 -6.339 306 HG23 THR 40 HG23 THR 40 3.532 -6.090 -6.381 307 H GLU 41 HN GLU 41 8.640 -7.586 -8.994 308 HA GLU 41 HA GLU 41 8.831 -10.312 -8.422 309 HB2 GLU 41 HB2 GLU 41 11.157 -10.064 -9.451 310 HB3 GLU 41 HB1 GLU 41 9.773 -9.611 -10.434 311 HG2 GLU 41 HG2 GLU 41 11.041 -7.455 -8.866 312 HG3 GLU 41 HG1 GLU 41 11.960 -8.110 -10.222 313 H SER 42 HN SER 42 10.528 -7.592 -6.890 314 HA SER 42 HA SER 42 11.857 -9.571 -5.169 315 HB2 SER 42 HB2 SER 42 12.843 -6.795 -5.852 316 HB3 SER 42 HB1 SER 42 13.711 -8.020 -4.924 317 HG SER 42 HG SER 42 13.668 -9.338 -6.821 318 H LEU 43 HN LEU 43 9.257 -8.545 -4.640 319 HA LEU 43 HA LEU 43 9.782 -6.838 -2.322 320 HB2 LEU 43 HB2 LEU 43 7.318 -7.346 -3.938 321 HB3 LEU 43 HB1 LEU 43 7.307 -6.447 -2.429 322 HG LEU 43 HG LEU 43 8.969 -5.686 -4.821 323 HD11 LEU 43 HD11 LEU 43 6.312 -4.661 -3.888 324 HD12 LEU 43 HD12 LEU 43 6.640 -5.557 -5.371 325 HD13 LEU 43 HD13 LEU 43 7.303 -3.935 -5.154 326 HD21 LEU 43 HD21 LEU 43 9.122 -3.541 -3.632 327 HD22 LEU 43 HD22 LEU 43 9.839 -4.871 -2.721 328 HD23 LEU 43 HD23 LEU 43 8.248 -4.254 -2.277 329 H ASP 44 HN ASP 44 8.397 -7.121 -0.476 330 HA ASP 44 HA ASP 44 7.494 -9.860 0.024 331 HB2 ASP 44 HB2 ASP 44 9.920 -9.178 0.948 332 HB3 ASP 44 HB1 ASP 44 8.943 -8.431 2.199 333 H THR 45 HN THR 45 5.713 -9.922 1.398 334 HA THR 45 HA THR 45 4.617 -7.296 2.106 335 HB THR 45 HB THR 45 2.506 -8.659 2.551 336 HG1 THR 45 HG1 THR 45 3.901 -10.570 0.955 337 HG21 THR 45 HG21 THR 45 3.644 -8.424 -0.222 338 HG22 THR 45 HG22 THR 45 2.654 -7.244 0.641 339 HG23 THR 45 HG23 THR 45 1.954 -8.780 0.134 340 H HIS 46 HN HIS 46 6.286 -9.849 3.442 341 HA HIS 46 HA HIS 46 5.078 -9.437 6.092 342 HB2 HIS 46 HB2 HIS 46 6.864 -11.673 5.102 343 HB3 HIS 46 HB1 HIS 46 6.226 -11.539 6.731 344 HD1 HIS 46 HD1 HIS 46 4.241 -12.963 7.104 345 HD2 HIS 46 HD2 HIS 46 4.534 -11.714 3.153 346 HE1 HIS 46 HE1 HIS 46 2.318 -14.058 5.906 347 HE2 HIS 46 HE2 HIS 46 2.573 -13.374 3.496 348 H GLU 47 HN GLU 47 7.494 -8.313 4.217 349 HA GLU 47 HA GLU 47 9.263 -7.828 6.507 350 HB2 GLU 47 HB2 GLU 47 11.051 -8.399 5.289 351 HB3 GLU 47 HB1 GLU 47 9.932 -9.073 4.122 352 HG2 GLU 47 HG2 GLU 47 9.949 -6.927 2.903 353 HG3 GLU 47 HG1 GLU 47 11.132 -6.312 4.062 354 H SER 48 HN SER 48 10.210 -5.688 6.576 355 HA SER 48 HA SER 48 8.068 -3.832 5.959 356 HB2 SER 48 HB2 SER 48 10.579 -3.220 7.509 357 HB3 SER 48 HB1 SER 48 9.000 -2.444 7.614 358 HG SER 48 HG SER 48 8.964 -5.146 8.114 359 H PHE 49 HN PHE 49 8.309 -1.892 4.920 360 HA PHE 49 HA PHE 49 9.682 -1.842 2.528 361 HB2 PHE 49 HB2 PHE 49 8.705 0.507 4.137 362 HB3 PHE 49 HB1 PHE 49 9.167 0.570 2.442 363 HD1 PHE 49 HD1 PHE 49 7.729 -0.303 0.733 364 HD2 PHE 49 HD2 PHE 49 6.692 -0.629 4.840 365 HE1 PHE 49 HE1 PHE 49 5.421 -0.875 0.103 366 HE2 PHE 49 HE2 PHE 49 4.395 -1.197 4.220 367 HZ PHE 49 HZ PHE 49 3.754 -1.321 1.859 368 H LYS 50 HN LYS 50 10.712 -0.670 5.629 369 HA LYS 50 HA LYS 50 13.022 0.639 5.194 370 HB2 LYS 50 HB2 LYS 50 12.014 -0.241 7.362 371 HB3 LYS 50 HB1 LYS 50 12.833 -1.752 7.011 372 HG2 LYS 50 HG2 LYS 50 14.127 -0.486 8.564 373 HG3 LYS 50 HG1 LYS 50 14.984 -0.569 7.029 374 HD2 LYS 50 HD2 LYS 50 15.168 1.666 7.895 375 HD3 LYS 50 HD1 LYS 50 14.108 1.694 6.486 376 HE2 LYS 50 HE2 LYS 50 13.196 3.074 8.257 377 HE3 LYS 50 HE1 LYS 50 12.154 1.686 7.965 378 HZ1 LYS 50 HZ1 LYS 50 14.120 1.946 10.178 379 HZ2 LYS 50 HZ2 LYS 50 13.134 0.602 9.897 380 HZ3 LYS 50 HZ3 LYS 50 12.439 2.081 10.322 381 H ASP 51 HN ASP 51 12.668 -2.859 5.197 382 HA ASP 51 HA ASP 51 15.290 -3.422 4.295 383 HB2 ASP 51 HB2 ASP 51 13.682 -4.973 5.535 384 HB3 ASP 51 HB1 ASP 51 12.922 -5.245 3.976 385 H LEU 52 HN LEU 52 12.282 -2.770 2.696 386 HA LEU 52 HA LEU 52 12.957 -3.778 0.134 387 HB2 LEU 52 HB2 LEU 52 10.867 -1.917 1.181 388 HB3 LEU 52 HB1 LEU 52 11.062 -2.131 -0.532 389 HG LEU 52 HG LEU 52 10.585 -4.543 -0.285 390 HD11 LEU 52 HD11 LEU 52 10.180 -3.799 2.592 391 HD12 LEU 52 HD12 LEU 52 11.343 -4.954 1.937 392 HD13 LEU 52 HD13 LEU 52 9.612 -5.298 1.863 393 HD21 LEU 52 HD21 LEU 52 8.541 -2.693 0.905 394 HD22 LEU 52 HD22 LEU 52 8.217 -4.336 0.351 395 HD23 LEU 52 HD23 LEU 52 8.738 -3.100 -0.802 396 H GLY 53 HN GLY 53 13.780 -0.997 1.890 397 HA2 GLY 53 HA2 GLY 53 15.747 0.147 1.179 398 HA3 GLY 53 HA1 GLY 53 15.204 -0.003 -0.477 399 H PHE 54 HN PHE 54 12.631 0.832 1.573 400 HA PHE 54 HA PHE 54 12.511 3.397 0.349 401 HB2 PHE 54 HB2 PHE 54 10.760 2.070 2.420 402 HB3 PHE 54 HB1 PHE 54 10.449 3.668 1.751 403 HD1 PHE 54 HD1 PHE 54 9.715 3.965 -0.482 404 HD2 PHE 54 HD2 PHE 54 10.588 0.089 1.013 405 HE1 PHE 54 HE1 PHE 54 8.624 2.983 -2.432 406 HE2 PHE 54 HE2 PHE 54 9.495 -0.921 -0.935 407 HZ PHE 54 HZ PHE 54 8.522 0.523 -2.690 408 H ASP 55 HN ASP 55 12.126 5.393 1.520 409 HA ASP 55 HA ASP 55 13.174 5.843 4.124 410 HB2 ASP 55 HB2 ASP 55 15.269 5.436 2.639 411 HB3 ASP 55 HB1 ASP 55 14.876 6.993 1.911 412 H SER 56 HN SER 56 13.972 8.559 3.677 413 HA SER 56 HA SER 56 11.386 9.764 3.319 414 HB2 SER 56 HB2 SER 56 12.702 11.897 3.774 415 HB3 SER 56 HB1 SER 56 12.737 10.680 5.048 416 HG SER 56 HG SER 56 14.782 9.994 4.169 417 H LEU 57 HN LEU 57 12.280 8.502 1.020 418 HA LEU 57 HA LEU 57 12.284 10.652 -0.931 419 HB2 LEU 57 HB2 LEU 57 14.061 8.239 -1.048 420 HB3 LEU 57 HB1 LEU 57 13.995 9.528 -2.235 421 HG LEU 57 HG LEU 57 14.855 9.912 0.626 422 HD11 LEU 57 HD11 LEU 57 16.532 9.449 -1.834 423 HD12 LEU 57 HD12 LEU 57 16.387 8.383 -0.437 424 HD13 LEU 57 HD13 LEU 57 17.153 9.962 -0.266 425 HD21 LEU 57 HD21 LEU 57 15.811 12.002 -0.238 426 HD22 LEU 57 HD22 LEU 57 14.064 11.928 -0.473 427 HD23 LEU 57 HD23 LEU 57 15.150 11.637 -1.832 428 H THR 58 HN THR 58 12.649 7.145 -0.930 429 HA THR 58 HA THR 58 10.906 6.747 -3.117 430 HB THR 58 HB THR 58 11.107 4.289 -2.270 431 HG1 THR 58 HG1 THR 58 13.403 4.760 -0.992 432 HG21 THR 58 HG21 THR 58 13.347 4.105 -3.225 433 HG22 THR 58 HG22 THR 58 13.565 5.850 -3.070 434 HG23 THR 58 HG23 THR 58 12.348 5.206 -4.174 435 H ALA 59 HN ALA 59 10.535 6.292 0.377 436 HA ALA 59 HA ALA 59 8.006 5.158 0.405 437 HB1 ALA 59 HB1 ALA 59 9.060 7.189 2.383 438 HB2 ALA 59 HB2 ALA 59 9.475 5.476 2.398 439 HB3 ALA 59 HB3 ALA 59 7.805 5.980 2.671 440 H LEU 60 HN LEU 60 9.062 8.433 -0.056 441 HA LEU 60 HA LEU 60 6.597 9.729 0.293 442 HB2 LEU 60 HB2 LEU 60 9.115 10.473 -1.173 443 HB3 LEU 60 HB1 LEU 60 7.729 11.543 -1.102 444 HG LEU 60 HG LEU 60 9.480 12.115 0.560 445 HD11 LEU 60 HD11 LEU 60 8.005 12.347 2.457 446 HD12 LEU 60 HD12 LEU 60 6.910 11.149 1.772 447 HD13 LEU 60 HD13 LEU 60 7.143 12.697 0.960 448 HD21 LEU 60 HD21 LEU 60 8.737 9.468 1.788 449 HD22 LEU 60 HD22 LEU 60 9.744 10.705 2.540 450 HD23 LEU 60 HD23 LEU 60 10.299 9.885 1.079 451 H GLU 61 HN GLU 61 8.271 8.607 -2.651 452 HA GLU 61 HA GLU 61 6.036 9.350 -4.289 453 HB2 GLU 61 HB2 GLU 61 7.240 7.845 -6.008 454 HB3 GLU 61 HB1 GLU 61 8.006 9.352 -5.513 455 HG2 GLU 61 HG2 GLU 61 9.412 8.089 -3.948 456 HG3 GLU 61 HG1 GLU 61 8.661 6.599 -4.509 457 H LEU 62 HN LEU 62 7.021 6.435 -2.613 458 HA LEU 62 HA LEU 62 5.111 4.686 -3.773 459 HB2 LEU 62 HB2 LEU 62 6.843 3.769 -2.390 460 HB3 LEU 62 HB1 LEU 62 6.331 4.739 -1.028 461 HG LEU 62 HG LEU 62 4.239 3.502 -0.886 462 HD11 LEU 62 HD11 LEU 62 3.926 1.487 -2.259 463 HD12 LEU 62 HD12 LEU 62 5.322 1.965 -3.223 464 HD13 LEU 62 HD13 LEU 62 3.884 2.986 -3.190 465 HD21 LEU 62 HD21 LEU 62 6.597 1.653 -1.051 466 HD22 LEU 62 HD22 LEU 62 5.128 1.427 -0.096 467 HD23 LEU 62 HD23 LEU 62 6.249 2.731 0.300 468 H ARG 63 HN ARG 63 5.022 6.664 -0.848 469 HA ARG 63 HA ARG 63 2.406 6.032 -0.060 470 HB2 ARG 63 HB2 ARG 63 3.749 7.176 1.509 471 HB3 ARG 63 HB1 ARG 63 4.272 8.372 0.336 472 HG2 ARG 63 HG2 ARG 63 1.583 8.819 0.420 473 HG3 ARG 63 HG1 ARG 63 1.945 8.378 2.092 474 HD2 ARG 63 HD2 ARG 63 2.138 10.807 1.680 475 HD3 ARG 63 HD1 ARG 63 3.650 10.082 2.218 476 HE ARG 63 HE ARG 63 4.366 10.140 -0.146 477 HH11 ARG 63 HH11 ARG 63 1.779 12.258 0.893 478 HH12 ARG 63 HH12 ARG 63 2.044 13.413 -0.372 479 HH21 ARG 63 HH21 ARG 63 4.709 11.657 -1.827 480 HH22 ARG 63 HH22 ARG 63 3.709 13.071 -1.917 481 H ASP 64 HN ASP 64 3.812 8.500 -2.146 482 HA ASP 64 HA ASP 64 1.551 9.874 -2.966 483 HB2 ASP 64 HB2 ASP 64 4.006 10.348 -3.480 484 HB3 ASP 64 HB1 ASP 64 3.848 9.162 -4.764 485 H HIS 65 HN HIS 65 3.017 6.902 -4.169 486 HA HIS 65 HA HIS 65 1.263 6.392 -6.291 487 HB2 HIS 65 HB2 HIS 65 2.857 4.558 -4.545 488 HB3 HIS 65 HB1 HIS 65 1.947 4.001 -5.925 489 HD1 HIS 65 HD1 HIS 65 2.926 6.652 -7.654 490 HD2 HIS 65 HD2 HIS 65 5.212 3.817 -5.690 491 HE1 HIS 65 HE1 HIS 65 5.211 6.728 -8.731 492 HE2 HIS 65 HE2 HIS 65 6.509 4.893 -7.647 493 H LEU 66 HN LEU 66 1.092 5.502 -2.831 494 HA LEU 66 HA LEU 66 -1.114 3.768 -3.137 495 HB2 LEU 66 HB2 LEU 66 -0.452 5.326 -0.676 496 HB3 LEU 66 HB1 LEU 66 -1.179 3.744 -0.778 497 HG LEU 66 HG LEU 66 1.661 4.418 -1.510 498 HD11 LEU 66 HD11 LEU 66 1.239 4.556 0.874 499 HD12 LEU 66 HD12 LEU 66 2.261 3.177 0.467 500 HD13 LEU 66 HD13 LEU 66 0.555 2.932 0.848 501 HD21 LEU 66 HD21 LEU 66 1.945 2.050 -1.704 502 HD22 LEU 66 HD22 LEU 66 0.712 2.636 -2.818 503 HD23 LEU 66 HD23 LEU 66 0.238 1.800 -1.343 504 H GLN 67 HN GLN 67 -0.881 7.203 -2.387 505 HA GLN 67 HA GLN 67 -3.673 7.555 -1.861 506 HB2 GLN 67 HB2 GLN 67 -1.801 9.718 -2.775 507 HB3 GLN 67 HB1 GLN 67 -3.196 9.862 -1.714 508 HG2 GLN 67 HG2 GLN 67 -2.093 8.970 0.088 509 HG3 GLN 67 HG1 GLN 67 -0.925 8.138 -0.949 510 HE21 GLN 67 HE21 GLN 67 -0.279 10.384 -2.559 511 HE22 GLN 67 HE22 GLN 67 0.657 11.453 -1.590 512 H THR 68 HN THR 68 -1.586 7.802 -4.651 513 HA THR 68 HA THR 68 -3.496 8.870 -6.420 514 HB THR 68 HB THR 68 -0.831 7.583 -6.517 515 HG1 THR 68 HG1 THR 68 -0.351 9.548 -7.615 516 HG21 THR 68 HG21 THR 68 -0.773 7.619 -8.967 517 HG22 THR 68 HG22 THR 68 -2.492 8.018 -9.002 518 HG23 THR 68 HG23 THR 68 -1.957 6.465 -8.358 519 H ALA 69 HN ALA 69 -2.288 5.677 -5.742 520 HA ALA 69 HA ALA 69 -3.871 4.145 -7.406 521 HB1 ALA 69 HB1 ALA 69 -1.935 3.307 -6.241 522 HB2 ALA 69 HB2 ALA 69 -3.348 2.308 -5.887 523 HB3 ALA 69 HB3 ALA 69 -2.770 3.480 -4.699 524 H THR 70 HN THR 70 -4.481 5.050 -4.011 525 HA THR 70 HA THR 70 -6.992 3.581 -4.081 526 HB THR 70 HB THR 70 -7.109 4.001 -1.677 527 HG1 THR 70 HG1 THR 70 -4.601 5.309 -1.785 528 HG21 THR 70 HG21 THR 70 -4.289 3.275 -2.451 529 HG22 THR 70 HG22 THR 70 -5.664 2.173 -2.582 530 HG23 THR 70 HG23 THR 70 -5.159 2.772 -1.001 531 H GLY 71 HN GLY 71 -5.806 6.836 -3.884 532 HA2 GLY 71 HA2 GLY 71 -6.984 8.784 -4.435 533 HA3 GLY 71 HA1 GLY 71 -8.489 7.872 -4.348 534 H LEU 72 HN LEU 72 -6.594 7.129 -1.752 535 HA LEU 72 HA LEU 72 -8.271 8.745 0.018 536 HB2 LEU 72 HB2 LEU 72 -6.685 6.216 0.326 537 HB3 LEU 72 HB1 LEU 72 -7.204 7.115 1.736 538 HG LEU 72 HG LEU 72 -8.688 5.219 1.201 539 HD11 LEU 72 HD11 LEU 72 -9.978 7.922 0.895 540 HD12 LEU 72 HD12 LEU 72 -9.590 7.108 2.412 541 HD13 LEU 72 HD13 LEU 72 -10.807 6.428 1.335 542 HD21 LEU 72 HD21 LEU 72 -9.344 6.746 -1.305 543 HD22 LEU 72 HD22 LEU 72 -10.177 5.307 -0.719 544 HD23 LEU 72 HD23 LEU 72 -8.491 5.208 -1.217 545 H ASN 73 HN ASN 73 -6.712 8.791 2.298 546 HA ASN 73 HA ASN 73 -4.604 10.654 1.423 547 HB2 ASN 73 HB2 ASN 73 -6.634 11.780 2.313 548 HB3 ASN 73 HB1 ASN 73 -6.401 10.933 3.839 549 HD21 ASN 73 HD21 ASN 73 -6.124 12.794 5.023 550 HD22 ASN 73 HD22 ASN 73 -4.713 13.787 4.889 551 H LEU 74 HN LEU 74 -2.795 9.477 1.772 552 HA LEU 74 HA LEU 74 -2.509 8.102 4.321 553 HB2 LEU 74 HB2 LEU 74 -0.941 7.861 1.761 554 HB3 LEU 74 HB1 LEU 74 -0.574 6.985 3.242 555 HG LEU 74 HG LEU 74 -3.069 6.175 3.001 556 HD11 LEU 74 HD11 LEU 74 -3.808 5.896 0.727 557 HD12 LEU 74 HD12 LEU 74 -2.348 6.685 0.116 558 HD13 LEU 74 HD13 LEU 74 -3.537 7.614 1.032 559 HD21 LEU 74 HD21 LEU 74 -1.275 4.652 3.059 560 HD22 LEU 74 HD22 LEU 74 -0.694 5.170 1.475 561 HD23 LEU 74 HD23 LEU 74 -2.209 4.280 1.610 562 H SER 75 HN SER 75 0.449 8.113 4.298 563 HA SER 75 HA SER 75 0.760 10.884 5.221 564 HB2 SER 75 HB2 SER 75 -0.091 9.535 7.115 565 HB3 SER 75 HB1 SER 75 1.291 8.454 6.949 566 HG SER 75 HG SER 75 1.798 9.927 8.524 567 H SER 76 HN SER 76 3.075 11.320 5.977 568 HA SER 76 HA SER 76 4.792 10.645 3.817 569 HB2 SER 76 HB2 SER 76 4.828 12.801 5.130 570 HB3 SER 76 HB1 SER 76 5.610 11.913 6.435 571 HG SER 76 HG SER 76 6.633 12.817 4.051 572 H THR 77 HN THR 77 4.586 9.563 7.166 573 HA THR 77 HA THR 77 6.840 7.724 6.738 574 HB THR 77 HB THR 77 6.464 7.370 9.297 575 HG1 THR 77 HG1 THR 77 5.618 10.007 9.406 576 HG21 THR 77 HG21 THR 77 8.436 8.407 8.332 577 HG22 THR 77 HG22 THR 77 7.929 9.293 9.771 578 HG23 THR 77 HG23 THR 77 7.572 9.933 8.166 579 H LEU 78 HN LEU 78 4.277 7.459 5.613 580 HA LEU 78 HA LEU 78 2.374 5.931 6.835 581 HB2 LEU 78 HB2 LEU 78 2.304 7.055 4.633 582 HB3 LEU 78 HB1 LEU 78 3.334 5.804 3.997 583 HG LEU 78 HG LEU 78 0.729 5.816 3.641 584 HD11 LEU 78 HD11 LEU 78 2.473 3.419 4.067 585 HD12 LEU 78 HD12 LEU 78 2.140 4.279 2.550 586 HD13 LEU 78 HD13 LEU 78 0.861 3.355 3.350 587 HD21 LEU 78 HD21 LEU 78 -0.107 5.723 5.781 588 HD22 LEU 78 HD22 LEU 78 1.135 4.596 6.332 589 HD23 LEU 78 HD23 LEU 78 -0.164 4.035 5.272 590 H ILE 79 HN ILE 79 4.913 4.628 4.712 591 HA ILE 79 HA ILE 79 4.354 1.915 5.469 592 HB ILE 79 HB ILE 79 6.165 1.338 3.977 593 HG12 ILE 79 HG12 ILE 79 6.770 4.283 4.046 594 HG13 ILE 79 HG11 ILE 79 7.835 2.954 4.495 595 HG21 ILE 79 HG21 ILE 79 4.069 1.882 2.923 596 HG22 ILE 79 HG22 ILE 79 5.410 2.465 1.933 597 HG23 ILE 79 HG23 ILE 79 4.485 3.599 2.921 598 HD11 ILE 79 HD11 ILE 79 8.557 3.714 2.402 599 HD12 ILE 79 HD12 ILE 79 6.910 3.775 1.778 600 HD13 ILE 79 HD13 ILE 79 7.680 2.215 2.090 601 H PHE 80 HN PHE 80 5.805 4.144 7.262 602 HA PHE 80 HA PHE 80 7.618 2.166 8.458 603 HB2 PHE 80 HB2 PHE 80 7.771 5.184 8.579 604 HB3 PHE 80 HB1 PHE 80 8.862 4.081 9.416 605 HD1 PHE 80 HD1 PHE 80 8.992 6.251 6.934 606 HD2 PHE 80 HD2 PHE 80 9.417 2.046 7.440 607 HE1 PHE 80 HE1 PHE 80 10.371 6.148 4.904 608 HE2 PHE 80 HE2 PHE 80 10.797 1.923 5.411 609 HZ PHE 80 HZ PHE 80 11.284 3.986 4.139 610 H ASP 81 HN ASP 81 4.845 4.012 8.673 611 HA ASP 81 HA ASP 81 4.437 3.773 11.508 612 HB2 ASP 81 HB2 ASP 81 3.321 5.392 9.662 613 HB3 ASP 81 HB1 ASP 81 2.188 4.057 9.606 614 H HIS 82 HN HIS 82 3.534 2.300 8.516 615 HA HIS 82 HA HIS 82 2.574 -0.105 9.883 616 HB2 HIS 82 HB2 HIS 82 1.767 0.884 7.137 617 HB3 HIS 82 HB1 HIS 82 1.033 -0.415 8.060 618 HD1 HIS 82 HD1 HIS 82 -0.454 0.293 10.129 619 HD2 HIS 82 HD2 HIS 82 0.931 3.432 7.769 620 HE1 HIS 82 HE1 HIS 82 -1.703 2.330 10.911 621 HE2 HIS 82 HE2 HIS 82 -0.691 4.239 9.625 622 HA PRO 83 HA PRO 83 6.589 -1.007 8.499 623 HB2 PRO 83 HB2 PRO 83 6.598 -3.705 9.066 624 HB3 PRO 83 HB1 PRO 83 6.838 -2.428 10.262 625 HG2 PRO 83 HG2 PRO 83 4.335 -3.935 9.579 626 HG3 PRO 83 HG1 PRO 83 4.976 -3.489 11.176 627 HD2 PRO 83 HD2 PRO 83 2.993 -2.088 10.043 628 HD3 PRO 83 HD1 PRO 83 4.265 -1.282 10.972 629 H THR 84 HN THR 84 4.043 -3.210 7.350 630 HA THR 84 HA THR 84 5.759 -3.802 5.054 631 HB THR 84 HB THR 84 4.756 -6.019 4.994 632 HG1 THR 84 HG1 THR 84 3.566 -6.442 7.179 633 HG21 THR 84 HG21 THR 84 5.778 -5.376 7.765 634 HG22 THR 84 HG22 THR 84 6.798 -5.645 6.353 635 HG23 THR 84 HG23 THR 84 5.794 -6.956 6.980 636 HA PRO 85 HA PRO 85 2.469 -2.637 2.310 637 HB2 PRO 85 HB2 PRO 85 2.794 -5.277 1.007 638 HB3 PRO 85 HB1 PRO 85 2.915 -3.667 0.302 639 HG2 PRO 85 HG2 PRO 85 5.083 -5.191 0.732 640 HG3 PRO 85 HG1 PRO 85 5.122 -3.425 0.888 641 HD2 PRO 85 HD2 PRO 85 5.077 -5.505 3.008 642 HD3 PRO 85 HD1 PRO 85 5.865 -3.921 3.000 643 H HIS 86 HN HIS 86 2.593 -5.499 4.100 644 HA HIS 86 HA HIS 86 -0.137 -6.325 3.713 645 HB2 HIS 86 HB2 HIS 86 1.133 -8.094 4.445 646 HB3 HIS 86 HB1 HIS 86 2.147 -7.094 5.459 647 HD1 HIS 86 HD1 HIS 86 -0.605 -9.464 5.624 648 HD2 HIS 86 HD2 HIS 86 0.821 -6.338 7.966 649 HE1 HIS 86 HE1 HIS 86 -1.625 -9.809 7.894 650 HE2 HIS 86 HE2 HIS 86 -0.908 -7.799 9.229 651 H ALA 87 HN ALA 87 1.703 -4.547 6.115 652 HA ALA 87 HA ALA 87 -0.519 -4.024 7.842 653 HB1 ALA 87 HB1 ALA 87 2.174 -2.670 7.721 654 HB2 ALA 87 HB2 ALA 87 1.812 -4.125 8.652 655 HB3 ALA 87 HB3 ALA 87 1.030 -2.600 9.061 656 H VAL 88 HN VAL 88 0.806 -2.661 5.066 657 HA VAL 88 HA VAL 88 -0.346 -0.031 5.468 658 HB VAL 88 HB VAL 88 1.170 -1.279 3.197 659 HG11 VAL 88 HG11 VAL 88 0.075 1.508 3.425 660 HG12 VAL 88 HG12 VAL 88 -0.394 0.272 2.257 661 HG13 VAL 88 HG13 VAL 88 1.224 0.973 2.198 662 HG21 VAL 88 HG21 VAL 88 2.532 -0.790 5.125 663 HG22 VAL 88 HG22 VAL 88 1.903 0.863 5.182 664 HG23 VAL 88 HG23 VAL 88 2.907 0.347 3.827 665 H ALA 89 HN ALA 89 -0.809 -2.827 3.352 666 HA ALA 89 HA ALA 89 -2.953 -1.779 1.902 667 HB1 ALA 89 HB1 ALA 89 -3.564 -4.111 1.417 668 HB2 ALA 89 HB2 ALA 89 -2.385 -4.648 2.619 669 HB3 ALA 89 HB3 ALA 89 -1.851 -3.785 1.177 670 H GLU 90 HN GLU 90 -2.917 -3.548 5.031 671 HA GLU 90 HA GLU 90 -5.777 -3.539 5.214 672 HB2 GLU 90 HB2 GLU 90 -5.363 -4.077 7.624 673 HB3 GLU 90 HB1 GLU 90 -4.574 -5.170 6.493 674 HG2 GLU 90 HG2 GLU 90 -2.476 -4.083 6.820 675 HG3 GLU 90 HG1 GLU 90 -3.217 -2.845 7.826 676 H HIS 91 HN HIS 91 -3.206 -1.386 6.066 677 HA HIS 91 HA HIS 91 -4.663 0.450 7.581 678 HB2 HIS 91 HB2 HIS 91 -2.311 0.640 7.664 679 HB3 HIS 91 HB1 HIS 91 -2.172 0.684 5.906 680 HD1 HIS 91 HD1 HIS 91 -3.449 2.845 8.770 681 HD2 HIS 91 HD2 HIS 91 -2.149 3.141 4.836 682 HE1 HIS 91 HE1 HIS 91 -3.321 5.308 8.289 683 HE2 HIS 91 HE2 HIS 91 -2.732 5.465 5.851 684 H LEU 92 HN LEU 92 -4.504 -0.192 4.194 685 HA LEU 92 HA LEU 92 -5.655 2.284 3.390 686 HB2 LEU 92 HB2 LEU 92 -4.907 -0.262 2.058 687 HB3 LEU 92 HB1 LEU 92 -6.141 0.720 1.278 688 HG LEU 92 HG LEU 92 -4.679 2.477 0.861 689 HD11 LEU 92 HD11 LEU 92 -3.043 1.381 3.117 690 HD12 LEU 92 HD12 LEU 92 -3.723 3.000 2.920 691 HD13 LEU 92 HD13 LEU 92 -2.348 2.489 1.939 692 HD21 LEU 92 HD21 LEU 92 -2.678 1.524 -0.134 693 HD22 LEU 92 HD22 LEU 92 -4.097 0.534 -0.479 694 HD23 LEU 92 HD23 LEU 92 -2.945 0.026 0.756 695 H LEU 93 HN LEU 93 -6.844 -0.541 4.783 696 HA LEU 93 HA LEU 93 -9.549 -0.375 3.819 697 HB2 LEU 93 HB2 LEU 93 -8.300 -1.810 6.137 698 HB3 LEU 93 HB1 LEU 93 -10.028 -1.821 5.860 699 HG LEU 93 HG LEU 93 -9.844 -3.178 3.969 700 HD11 LEU 93 HD11 LEU 93 -7.712 -3.673 2.838 701 HD12 LEU 93 HD12 LEU 93 -6.903 -2.506 3.897 702 HD13 LEU 93 HD13 LEU 93 -8.140 -1.962 2.759 703 HD21 LEU 93 HD21 LEU 93 -9.344 -4.362 6.027 704 HD22 LEU 93 HD22 LEU 93 -7.628 -3.996 5.833 705 HD23 LEU 93 HD23 LEU 93 -8.446 -5.050 4.675 706 H GLU 94 HN GLU 94 -7.663 0.830 6.422 707 HA GLU 94 HA GLU 94 -9.606 1.843 8.157 708 HB2 GLU 94 HB2 GLU 94 -6.784 2.524 7.471 709 HB3 GLU 94 HB1 GLU 94 -7.679 3.596 8.550 710 HG2 GLU 94 HG2 GLU 94 -7.245 0.651 8.994 711 HG3 GLU 94 HG1 GLU 94 -6.303 1.939 9.743 712 H GLN 95 HN GLN 95 -8.388 2.959 5.120 713 HA GLN 95 HA GLN 95 -9.393 5.639 5.347 714 HB2 GLN 95 HB2 GLN 95 -8.543 4.262 2.820 715 HB3 GLN 95 HB1 GLN 95 -8.337 5.949 3.274 716 HG2 GLN 95 HG2 GLN 95 -6.917 3.676 4.625 717 HG3 GLN 95 HG1 GLN 95 -6.249 4.577 3.274 718 HE21 GLN 95 HE21 GLN 95 -5.445 4.242 6.085 719 HE22 GLN 95 HE22 GLN 95 -5.270 5.847 6.709 720 H ILE 96 HN ILE 96 -10.544 2.585 4.380 721 HA ILE 96 HA ILE 96 -12.240 3.371 2.250 722 HB ILE 96 HB ILE 96 -12.108 0.837 3.855 723 HG12 ILE 96 HG12 ILE 96 -10.013 1.584 2.823 724 HG13 ILE 96 HG11 ILE 96 -10.595 0.084 2.141 725 HG21 ILE 96 HG21 ILE 96 -13.158 1.157 1.069 726 HG22 ILE 96 HG22 ILE 96 -14.190 1.120 2.498 727 HG23 ILE 96 HG23 ILE 96 -13.203 -0.283 2.088 728 HD11 ILE 96 HD11 ILE 96 -11.348 1.216 0.166 729 HD12 ILE 96 HD12 ILE 96 -9.680 1.702 0.485 730 HD13 ILE 96 HD13 ILE 96 -11.012 2.788 0.892 731 HA PRO 97 HA PRO 97 -15.719 4.800 4.421 732 HB2 PRO 97 HB2 PRO 97 -17.485 4.813 2.426 733 HB3 PRO 97 HB1 PRO 97 -16.043 5.838 2.380 734 HG2 PRO 97 HG2 PRO 97 -16.469 3.152 1.121 735 HG3 PRO 97 HG1 PRO 97 -15.859 4.631 0.371 736 HD2 PRO 97 HD2 PRO 97 -14.218 2.700 1.257 737 HD3 PRO 97 HD1 PRO 97 -13.789 4.407 1.338 738 H GLY 98 HN GLY 98 -15.856 2.751 5.788 739 HA2 GLY 98 HA2 GLY 98 -17.506 1.554 6.901 740 HA3 GLY 98 HA1 GLY 98 -18.592 1.847 5.555 741 H ILE 99 HN ILE 99 -17.546 0.704 3.453 742 HA ILE 99 HA ILE 99 -18.025 -2.014 3.678 743 HB ILE 99 HB ILE 99 -16.457 -2.036 1.511 744 HG12 ILE 99 HG12 ILE 99 -17.433 0.766 1.323 745 HG13 ILE 99 HG11 ILE 99 -15.985 0.479 2.280 746 HG21 ILE 99 HG21 ILE 99 -19.208 -0.814 1.656 747 HG22 ILE 99 HG22 ILE 99 -18.825 -2.531 1.520 748 HG23 ILE 99 HG23 ILE 99 -18.439 -1.435 0.196 749 HD11 ILE 99 HD11 ILE 99 -15.401 1.093 0.036 750 HD12 ILE 99 HD12 ILE 99 -16.378 -0.232 -0.614 751 HD13 ILE 99 HD13 ILE 99 -14.935 -0.582 0.350 752 H GLY 100 HN GLY 100 -15.039 -0.274 4.159 753 HA2 GLY 100 HA2 GLY 100 -13.585 -2.816 4.364 754 HA3 GLY 100 HA1 GLY 100 -12.854 -1.243 4.057 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 -5.467 14.144 -2.996 2 H2 GLY 1 HT2 GLY 1 -6.180 12.632 -3.241 3 H3 GLY 1 HT3 GLY 1 -6.534 13.514 -1.849 4 HA2 GLY 1 HA1 GLY 1 -7.656 15.196 -3.109 5 HA3 GLY 1 HA2 GLY 1 -7.207 14.379 -4.601 6 H SER 2 HN SER 2 -9.739 14.746 -4.560 7 HA SER 2 HA SER 2 -11.167 12.673 -3.144 8 HB2 SER 2 HB2 SER 2 -12.156 14.626 -5.235 9 HB3 SER 2 HB1 SER 2 -13.162 13.633 -4.180 10 HG SER 2 HG SER 2 -12.989 15.669 -3.274 11 H THR 3 HN THR 3 -9.856 10.971 -4.138 12 HA THR 3 HA THR 3 -10.796 10.240 -6.836 13 HB THR 3 HB THR 3 -8.124 9.811 -5.504 14 HG1 THR 3 HG1 THR 3 -9.076 11.336 -7.677 15 HG21 THR 3 HG21 THR 3 -8.747 7.743 -6.649 16 HG22 THR 3 HG22 THR 3 -7.415 8.561 -7.478 17 HG23 THR 3 HG23 THR 3 -9.050 8.656 -8.135 18 H ALA 4 HN ALA 4 -10.976 9.467 -3.613 19 HA ALA 4 HA ALA 4 -10.210 6.859 -3.300 20 HB1 ALA 4 HB1 ALA 4 -12.625 8.110 -2.004 21 HB2 ALA 4 HB2 ALA 4 -10.957 8.398 -1.505 22 HB3 ALA 4 HB3 ALA 4 -11.652 6.781 -1.373 23 H THR 5 HN THR 5 -13.398 7.962 -4.392 24 HA THR 5 HA THR 5 -14.866 5.692 -4.548 25 HB THR 5 HB THR 5 -14.694 7.644 -6.830 26 HG1 THR 5 HG1 THR 5 -15.124 9.101 -5.360 27 HG21 THR 5 HG21 THR 5 -16.201 5.729 -7.162 28 HG22 THR 5 HG22 THR 5 -17.101 7.238 -7.014 29 HG23 THR 5 HG23 THR 5 -17.023 6.120 -5.653 30 H LEU 6 HN LEU 6 -12.076 6.403 -6.488 31 HA LEU 6 HA LEU 6 -12.316 4.528 -8.522 32 HB2 LEU 6 HB2 LEU 6 -10.551 6.107 -8.581 33 HB3 LEU 6 HB1 LEU 6 -10.000 5.652 -6.981 34 HG LEU 6 HG LEU 6 -9.226 3.475 -7.909 35 HD11 LEU 6 HD11 LEU 6 -10.727 3.356 -9.834 36 HD12 LEU 6 HD12 LEU 6 -9.039 3.222 -10.326 37 HD13 LEU 6 HD13 LEU 6 -9.909 4.737 -10.562 38 HD21 LEU 6 HD21 LEU 6 -7.729 5.404 -7.619 39 HD22 LEU 6 HD22 LEU 6 -8.092 5.916 -9.269 40 HD23 LEU 6 HD23 LEU 6 -7.258 4.389 -8.986 41 H LEU 7 HN LEU 7 -10.280 4.086 -5.636 42 HA LEU 7 HA LEU 7 -10.308 1.250 -5.973 43 HB2 LEU 7 HB2 LEU 7 -8.712 3.115 -4.634 44 HB3 LEU 7 HB1 LEU 7 -9.401 2.102 -3.376 45 HG LEU 7 HG LEU 7 -7.197 1.295 -4.193 46 HD11 LEU 7 HD11 LEU 7 -7.853 -1.010 -4.234 47 HD12 LEU 7 HD12 LEU 7 -9.484 -0.583 -4.767 48 HD13 LEU 7 HD13 LEU 7 -8.943 -0.138 -3.149 49 HD21 LEU 7 HD21 LEU 7 -6.954 0.362 -6.356 50 HD22 LEU 7 HD22 LEU 7 -7.675 1.958 -6.596 51 HD23 LEU 7 HD23 LEU 7 -8.676 0.511 -6.694 52 H THR 8 HN THR 8 -12.005 3.518 -3.969 53 HA THR 8 HA THR 8 -12.945 1.846 -1.953 54 HB THR 8 HB THR 8 -14.152 4.265 -3.251 55 HG1 THR 8 HG1 THR 8 -12.272 4.687 -2.118 56 HG21 THR 8 HG21 THR 8 -15.951 2.950 -2.200 57 HG22 THR 8 HG22 THR 8 -15.654 4.456 -1.333 58 HG23 THR 8 HG23 THR 8 -15.041 2.932 -0.690 59 H SER 9 HN SER 9 -14.140 2.348 -5.223 60 HA SER 9 HA SER 9 -16.522 0.833 -4.945 61 HB2 SER 9 HB2 SER 9 -14.895 1.826 -7.264 62 HB3 SER 9 HB1 SER 9 -16.264 0.736 -7.538 63 HG SER 9 HG SER 9 -16.723 2.893 -5.855 64 H LYS 10 HN LYS 10 -13.217 -0.022 -5.288 65 HA LYS 10 HA LYS 10 -13.580 -2.703 -6.196 66 HB2 LYS 10 HB2 LYS 10 -11.405 -1.403 -6.299 67 HB3 LYS 10 HB1 LYS 10 -11.306 -1.582 -4.550 68 HG2 LYS 10 HG2 LYS 10 -9.923 -3.246 -5.390 69 HG3 LYS 10 HG1 LYS 10 -11.412 -4.084 -4.961 70 HD2 LYS 10 HD2 LYS 10 -10.963 -3.067 -7.734 71 HD3 LYS 10 HD1 LYS 10 -10.284 -4.616 -7.228 72 HE2 LYS 10 HE2 LYS 10 -12.719 -5.125 -6.459 73 HE3 LYS 10 HE1 LYS 10 -13.146 -3.797 -7.536 74 HZ1 LYS 10 HZ1 LYS 10 -13.288 -5.870 -8.706 75 HZ2 LYS 10 HZ2 LYS 10 -11.693 -6.260 -8.309 76 HZ3 LYS 10 HZ3 LYS 10 -12.011 -4.958 -9.340 77 H LEU 11 HN LEU 11 -12.786 -1.281 -3.061 78 HA LEU 11 HA LEU 11 -12.781 -3.691 -1.629 79 HB2 LEU 11 HB2 LEU 11 -13.360 -0.932 -0.563 80 HB3 LEU 11 HB1 LEU 11 -12.945 -2.327 0.403 81 HG LEU 11 HG LEU 11 -10.912 -1.304 0.330 82 HD11 LEU 11 HD11 LEU 11 -9.476 -2.414 -1.246 83 HD12 LEU 11 HD12 LEU 11 -10.850 -2.767 -2.298 84 HD13 LEU 11 HD13 LEU 11 -10.731 -3.538 -0.711 85 HD21 LEU 11 HD21 LEU 11 -11.269 -0.447 -2.528 86 HD22 LEU 11 HD22 LEU 11 -10.120 0.162 -1.331 87 HD23 LEU 11 HD23 LEU 11 -11.839 0.523 -1.170 88 H ALA 12 HN ALA 12 -15.348 -1.605 -2.586 89 HA ALA 12 HA ALA 12 -17.417 -2.394 -0.918 90 HB1 ALA 12 HB1 ALA 12 -17.483 -1.764 -3.868 91 HB2 ALA 12 HB2 ALA 12 -17.629 -0.604 -2.545 92 HB3 ALA 12 HB3 ALA 12 -18.894 -1.807 -2.808 93 H GLY 13 HN GLY 13 -15.916 -4.055 -3.603 94 HA2 GLY 13 HA2 GLY 13 -17.932 -6.146 -3.669 95 HA3 GLY 13 HA1 GLY 13 -16.504 -6.025 -4.688 96 H LEU 14 HN LEU 14 -15.087 -5.550 -1.901 97 HA LEU 14 HA LEU 14 -14.517 -8.391 -1.556 98 HB2 LEU 14 HB2 LEU 14 -12.987 -5.940 -0.805 99 HB3 LEU 14 HB1 LEU 14 -12.537 -7.516 -0.262 100 HG LEU 14 HG LEU 14 -11.169 -7.463 -2.007 101 HD11 LEU 14 HD11 LEU 14 -13.719 -8.025 -3.489 102 HD12 LEU 14 HD12 LEU 14 -12.741 -9.198 -2.599 103 HD13 LEU 14 HD13 LEU 14 -12.089 -8.413 -4.043 104 HD21 LEU 14 HD21 LEU 14 -11.589 -5.128 -2.394 105 HD22 LEU 14 HD22 LEU 14 -13.023 -5.522 -3.344 106 HD23 LEU 14 HD23 LEU 14 -11.423 -5.994 -3.925 107 H THR 15 HN THR 15 -13.828 -9.004 0.580 108 HA THR 15 HA THR 15 -15.332 -7.763 2.761 109 HB THR 15 HB THR 15 -14.848 -9.798 3.992 110 HG1 THR 15 HG1 THR 15 -13.463 -11.383 3.111 111 HG21 THR 15 HG21 THR 15 -15.851 -11.501 2.509 112 HG22 THR 15 HG22 THR 15 -15.566 -10.440 1.127 113 HG23 THR 15 HG23 THR 15 -16.693 -9.954 2.393 114 H ALA 16 HN ALA 16 -13.942 -7.537 4.847 115 HA ALA 16 HA ALA 16 -11.876 -5.761 4.414 116 HB1 ALA 16 HB1 ALA 16 -12.984 -6.040 6.575 117 HB2 ALA 16 HB2 ALA 16 -11.231 -6.132 6.749 118 HB3 ALA 16 HB3 ALA 16 -12.201 -7.604 6.786 119 H THR 17 HN THR 17 -11.721 -9.258 4.538 120 HA THR 17 HA THR 17 -8.875 -9.376 4.643 121 HB THR 17 HB THR 17 -10.918 -11.498 3.975 122 HG1 THR 17 HG1 THR 17 -10.628 -10.394 6.205 123 HG21 THR 17 HG21 THR 17 -8.720 -12.018 3.042 124 HG22 THR 17 HG22 THR 17 -9.126 -13.100 4.377 125 HG23 THR 17 HG23 THR 17 -7.989 -11.775 4.627 126 H GLU 18 HN GLU 18 -11.267 -9.640 1.974 127 HA GLU 18 HA GLU 18 -9.208 -10.089 0.085 128 HB2 GLU 18 HB2 GLU 18 -12.068 -9.245 -0.207 129 HB3 GLU 18 HB1 GLU 18 -10.998 -9.596 -1.546 130 HG2 GLU 18 HG2 GLU 18 -10.694 -11.870 -0.610 131 HG3 GLU 18 HG1 GLU 18 -11.929 -11.485 0.582 132 H GLN 19 HN GLN 19 -10.808 -7.304 1.423 133 HA GLN 19 HA GLN 19 -9.930 -5.349 -0.393 134 HB2 GLN 19 HB2 GLN 19 -10.448 -5.161 2.570 135 HB3 GLN 19 HB1 GLN 19 -10.303 -3.790 1.489 136 HG2 GLN 19 HG2 GLN 19 -12.259 -4.453 0.309 137 HG3 GLN 19 HG1 GLN 19 -12.357 -5.943 1.219 138 HE21 GLN 19 HE21 GLN 19 -14.353 -3.978 0.938 139 HE22 GLN 19 HE22 GLN 19 -14.703 -3.375 2.528 140 H ARG 20 HN ARG 20 -8.572 -6.566 2.627 141 HA ARG 20 HA ARG 20 -6.212 -5.051 2.540 142 HB2 ARG 20 HB2 ARG 20 -5.431 -6.434 4.270 143 HB3 ARG 20 HB1 ARG 20 -7.164 -6.272 4.489 144 HG2 ARG 20 HG2 ARG 20 -7.480 -8.371 3.324 145 HG3 ARG 20 HG1 ARG 20 -5.723 -8.561 3.304 146 HD2 ARG 20 HD2 ARG 20 -7.528 -8.465 5.703 147 HD3 ARG 20 HD1 ARG 20 -6.543 -9.820 5.166 148 HE ARG 20 HE ARG 20 -4.855 -7.645 5.711 149 HH11 ARG 20 HH11 ARG 20 -6.904 -9.948 7.353 150 HH12 ARG 20 HH12 ARG 20 -6.082 -9.802 8.870 151 HH21 ARG 20 HH21 ARG 20 -3.765 -7.429 7.745 152 HH22 ARG 20 HH22 ARG 20 -4.321 -8.374 9.093 153 H ALA 21 HN ALA 21 -7.181 -8.018 1.099 154 HA ALA 21 HA ALA 21 -4.611 -8.876 0.250 155 HB1 ALA 21 HB1 ALA 21 -7.291 -9.630 -0.888 156 HB2 ALA 21 HB2 ALA 21 -6.520 -10.401 0.498 157 HB3 ALA 21 HB3 ALA 21 -5.776 -10.507 -1.097 158 H VAL 22 HN VAL 22 -7.134 -6.981 -1.344 159 HA VAL 22 HA VAL 22 -5.958 -7.184 -3.915 160 HB VAL 22 HB VAL 22 -7.455 -5.265 -4.551 161 HG11 VAL 22 HG11 VAL 22 -9.485 -6.565 -4.435 162 HG12 VAL 22 HG12 VAL 22 -8.821 -7.543 -3.125 163 HG13 VAL 22 HG13 VAL 22 -8.116 -7.636 -4.740 164 HG21 VAL 22 HG21 VAL 22 -8.352 -5.512 -1.676 165 HG22 VAL 22 HG22 VAL 22 -9.205 -4.615 -2.932 166 HG23 VAL 22 HG23 VAL 22 -7.593 -4.107 -2.429 167 H THR 23 HN THR 23 -5.704 -4.630 -1.417 168 HA THR 23 HA THR 23 -3.730 -3.412 -3.163 169 HB THR 23 HB THR 23 -5.070 -1.798 -2.262 170 HG1 THR 23 HG1 THR 23 -3.196 -1.069 -0.530 171 HG21 THR 23 HG21 THR 23 -4.403 -2.715 0.505 172 HG22 THR 23 HG22 THR 23 -5.927 -3.047 -0.312 173 HG23 THR 23 HG23 THR 23 -5.474 -1.384 0.077 174 H ARG 24 HN ARG 24 -3.700 -5.675 -0.598 175 HA ARG 24 HA ARG 24 -0.992 -5.307 0.164 176 HB2 ARG 24 HB2 ARG 24 -2.363 -6.997 1.276 177 HB3 ARG 24 HB1 ARG 24 -2.572 -7.860 -0.237 178 HG2 ARG 24 HG2 ARG 24 0.068 -7.927 -0.142 179 HG3 ARG 24 HG1 ARG 24 -0.238 -7.754 1.586 180 HD2 ARG 24 HD2 ARG 24 -1.684 -9.716 1.530 181 HD3 ARG 24 HD1 ARG 24 -1.410 -9.871 -0.205 182 HE ARG 24 HE ARG 24 1.085 -9.908 0.929 183 HH11 ARG 24 HH11 ARG 24 -1.816 -11.845 1.157 184 HH12 ARG 24 HH12 ARG 24 -0.968 -13.291 1.603 185 HH21 ARG 24 HH21 ARG 24 2.211 -11.800 1.482 186 HH22 ARG 24 HH22 ARG 24 1.326 -13.271 1.768 187 H LYS 25 HN LYS 25 -2.555 -6.000 -2.686 188 HA LYS 25 HA LYS 25 -0.217 -7.003 -4.054 189 HB2 LYS 25 HB2 LYS 25 -2.049 -8.296 -4.613 190 HB3 LYS 25 HB1 LYS 25 -3.173 -6.965 -4.459 191 HG2 LYS 25 HG2 LYS 25 -3.045 -7.696 -6.735 192 HG3 LYS 25 HG1 LYS 25 -2.405 -6.065 -6.562 193 HD2 LYS 25 HD2 LYS 25 -0.131 -6.917 -6.664 194 HD3 LYS 25 HD1 LYS 25 -0.731 -8.577 -6.694 195 HE2 LYS 25 HE2 LYS 25 -1.896 -8.051 -8.825 196 HE3 LYS 25 HE1 LYS 25 -1.131 -6.465 -8.805 197 HZ1 LYS 25 HZ1 LYS 25 1.026 -7.543 -8.881 198 HZ2 LYS 25 HZ2 LYS 25 0.077 -8.017 -10.196 199 HZ3 LYS 25 HZ3 LYS 25 0.292 -9.068 -8.888 200 H LEU 26 HN LEU 26 -2.458 -4.226 -3.822 201 HA LEU 26 HA LEU 26 -1.303 -2.797 -5.986 202 HB2 LEU 26 HB2 LEU 26 -3.575 -2.389 -5.338 203 HB3 LEU 26 HB1 LEU 26 -3.079 -1.944 -3.724 204 HG LEU 26 HG LEU 26 -3.770 -0.094 -5.354 205 HD11 LEU 26 HD11 LEU 26 -2.717 0.095 -3.106 206 HD12 LEU 26 HD12 LEU 26 -2.415 1.447 -4.206 207 HD13 LEU 26 HD13 LEU 26 -1.163 0.236 -3.931 208 HD21 LEU 26 HD21 LEU 26 -2.012 0.826 -6.726 209 HD22 LEU 26 HD22 LEU 26 -2.397 -0.821 -7.233 210 HD23 LEU 26 HD23 LEU 26 -0.948 -0.511 -6.278 211 H VAL 27 HN VAL 27 -0.981 -2.303 -2.414 212 HA VAL 27 HA VAL 27 0.850 -0.201 -2.601 213 HB VAL 27 HB VAL 27 -0.085 -0.672 -0.427 214 HG11 VAL 27 HG11 VAL 27 1.301 -3.326 -0.674 215 HG12 VAL 27 HG12 VAL 27 -0.423 -3.016 -0.479 216 HG13 VAL 27 HG13 VAL 27 0.690 -2.689 0.853 217 HG21 VAL 27 HG21 VAL 27 1.928 -0.701 0.970 218 HG22 VAL 27 HG22 VAL 27 2.143 0.347 -0.433 219 HG23 VAL 27 HG23 VAL 27 2.880 -1.259 -0.406 220 H LEU 28 HN LEU 28 1.220 -3.605 -2.683 221 HA LEU 28 HA LEU 28 3.977 -3.907 -2.741 222 HB2 LEU 28 HB2 LEU 28 1.867 -5.539 -2.729 223 HB3 LEU 28 HB1 LEU 28 2.223 -5.595 -4.439 224 HG LEU 28 HG LEU 28 4.358 -6.574 -4.047 225 HD11 LEU 28 HD11 LEU 28 5.101 -7.023 -1.714 226 HD12 LEU 28 HD12 LEU 28 3.798 -5.960 -1.162 227 HD13 LEU 28 HD13 LEU 28 5.096 -5.321 -2.170 228 HD21 LEU 28 HD21 LEU 28 2.577 -8.158 -4.004 229 HD22 LEU 28 HD22 LEU 28 2.162 -7.734 -2.342 230 HD23 LEU 28 HD23 LEU 28 3.676 -8.580 -2.688 231 H ASP 29 HN ASP 29 1.643 -3.485 -5.322 232 HA ASP 29 HA ASP 29 3.432 -3.699 -7.500 233 HB2 ASP 29 HB2 ASP 29 0.917 -3.921 -7.580 234 HB3 ASP 29 HB1 ASP 29 0.831 -2.178 -7.408 235 H GLN 30 HN GLN 30 2.068 -0.988 -5.719 236 HA GLN 30 HA GLN 30 3.261 1.092 -7.135 237 HB2 GLN 30 HB2 GLN 30 2.608 0.940 -4.213 238 HB3 GLN 30 HB1 GLN 30 2.819 2.409 -5.152 239 HG2 GLN 30 HG2 GLN 30 0.624 0.374 -5.449 240 HG3 GLN 30 HG1 GLN 30 0.496 2.020 -4.841 241 HE21 GLN 30 HE21 GLN 30 0.878 0.020 -7.642 242 HE22 GLN 30 HE22 GLN 30 0.540 1.247 -8.820 243 H ALA 31 HN ALA 31 4.304 -0.632 -4.254 244 HA ALA 31 HA ALA 31 6.692 0.789 -3.777 245 HB1 ALA 31 HB1 ALA 31 7.289 -1.098 -2.375 246 HB2 ALA 31 HB2 ALA 31 6.066 -2.101 -3.166 247 HB3 ALA 31 HB3 ALA 31 5.573 -0.728 -2.167 248 H ALA 32 HN ALA 32 5.800 -1.763 -5.877 249 HA ALA 32 HA ALA 32 8.389 -2.627 -6.624 250 HB1 ALA 32 HB1 ALA 32 6.916 -3.443 -8.661 251 HB2 ALA 32 HB2 ALA 32 5.570 -2.955 -7.613 252 HB3 ALA 32 HB3 ALA 32 6.736 -4.177 -7.068 253 H SER 33 HN SER 33 6.007 -0.379 -7.927 254 HA SER 33 HA SER 33 7.408 0.359 -10.246 255 HB2 SER 33 HB2 SER 33 5.054 0.852 -9.968 256 HB3 SER 33 HB1 SER 33 5.388 1.837 -8.545 257 HG SER 33 HG SER 33 6.625 2.495 -10.983 258 H VAL 34 HN VAL 34 7.480 1.517 -6.939 259 HA VAL 34 HA VAL 34 9.120 3.766 -7.260 260 HB VAL 34 HB VAL 34 9.135 1.921 -4.889 261 HG11 VAL 34 HG11 VAL 34 9.481 4.060 -3.659 262 HG12 VAL 34 HG12 VAL 34 9.637 4.866 -5.220 263 HG13 VAL 34 HG13 VAL 34 10.797 3.624 -4.750 264 HG21 VAL 34 HG21 VAL 34 7.293 3.231 -3.998 265 HG22 VAL 34 HG22 VAL 34 6.858 2.339 -5.451 266 HG23 VAL 34 HG23 VAL 34 7.158 4.077 -5.537 267 H LEU 35 HN LEU 35 9.816 0.539 -6.103 268 HA LEU 35 HA LEU 35 12.529 0.952 -5.706 269 HB2 LEU 35 HB2 LEU 35 10.563 -1.147 -5.542 270 HB3 LEU 35 HB1 LEU 35 12.166 -1.758 -5.918 271 HG LEU 35 HG LEU 35 12.950 -1.299 -3.822 272 HD11 LEU 35 HD11 LEU 35 12.760 1.109 -3.873 273 HD12 LEU 35 HD12 LEU 35 12.076 0.513 -2.360 274 HD13 LEU 35 HD13 LEU 35 11.007 1.008 -3.680 275 HD21 LEU 35 HD21 LEU 35 11.230 -2.769 -3.361 276 HD22 LEU 35 HD22 LEU 35 9.988 -1.557 -3.680 277 HD23 LEU 35 HD23 LEU 35 10.965 -1.461 -2.207 278 H GLY 36 HN GLY 36 10.813 -0.181 -8.550 279 HA2 GLY 36 HA2 GLY 36 12.220 0.257 -10.611 280 HA3 GLY 36 HA1 GLY 36 13.434 -0.694 -9.772 281 H TYR 37 HN TYR 37 10.239 -1.697 -9.340 282 HA TYR 37 HA TYR 37 10.940 -4.172 -10.737 283 HB2 TYR 37 HB2 TYR 37 8.758 -3.690 -8.708 284 HB3 TYR 37 HB1 TYR 37 9.389 -5.238 -9.237 285 HD1 TYR 37 HD1 TYR 37 9.172 -4.348 -6.358 286 HD2 TYR 37 HD2 TYR 37 12.317 -4.050 -9.187 287 HE1 TYR 37 HE1 TYR 37 10.791 -4.325 -4.524 288 HE2 TYR 37 HE2 TYR 37 13.952 -4.001 -7.379 289 HH TYR 37 HH TYR 37 14.051 -3.446 -4.965 290 H ALA 38 HN ALA 38 8.855 -5.421 -11.423 291 HA ALA 38 HA ALA 38 6.924 -3.623 -12.702 292 HB1 ALA 38 HB1 ALA 38 7.186 -4.665 -14.858 293 HB2 ALA 38 HB2 ALA 38 8.397 -5.772 -14.213 294 HB3 ALA 38 HB3 ALA 38 8.749 -4.048 -14.321 295 H SER 39 HN SER 39 7.563 -6.397 -10.965 296 HA SER 39 HA SER 39 4.830 -7.283 -11.216 297 HB2 SER 39 HB2 SER 39 6.026 -8.478 -13.052 298 HB3 SER 39 HB1 SER 39 7.098 -9.189 -11.850 299 HG SER 39 HG SER 39 5.350 -10.280 -10.969 300 H THR 40 HN THR 40 6.489 -6.073 -9.233 301 HA THR 40 HA THR 40 7.228 -6.207 -7.094 302 HB THR 40 HB THR 40 5.763 -7.470 -5.539 303 HG1 THR 40 HG1 THR 40 5.197 -8.886 -7.748 304 HG21 THR 40 HG21 THR 40 5.116 -5.245 -6.177 305 HG22 THR 40 HG22 THR 40 3.667 -6.256 -6.148 306 HG23 THR 40 HG23 THR 40 4.423 -5.836 -7.688 307 H GLU 41 HN GLU 41 8.754 -7.706 -8.806 308 HA GLU 41 HA GLU 41 9.062 -10.408 -8.139 309 HB2 GLU 41 HB2 GLU 41 11.323 -10.132 -9.279 310 HB3 GLU 41 HB1 GLU 41 9.895 -9.734 -10.220 311 HG2 GLU 41 HG2 GLU 41 11.209 -7.522 -8.764 312 HG3 GLU 41 HG1 GLU 41 12.045 -8.190 -10.167 313 H SER 42 HN SER 42 10.693 -7.547 -6.813 314 HA SER 42 HA SER 42 12.181 -9.365 -5.049 315 HB2 SER 42 HB2 SER 42 13.609 -8.074 -6.600 316 HB3 SER 42 HB1 SER 42 12.968 -6.577 -5.932 317 HG SER 42 HG SER 42 14.259 -8.529 -4.332 318 H LEU 43 HN LEU 43 9.527 -8.484 -4.520 319 HA LEU 43 HA LEU 43 9.979 -6.757 -2.197 320 HB2 LEU 43 HB2 LEU 43 7.531 -7.368 -3.812 321 HB3 LEU 43 HB1 LEU 43 7.478 -6.493 -2.290 322 HG LEU 43 HG LEU 43 9.106 -5.602 -4.657 323 HD11 LEU 43 HD11 LEU 43 6.758 -5.628 -5.226 324 HD12 LEU 43 HD12 LEU 43 7.356 -3.977 -5.053 325 HD13 LEU 43 HD13 LEU 43 6.384 -4.705 -3.772 326 HD21 LEU 43 HD21 LEU 43 9.877 -4.769 -2.528 327 HD22 LEU 43 HD22 LEU 43 8.243 -4.251 -2.115 328 HD23 LEU 43 HD23 LEU 43 9.105 -3.473 -3.441 329 H ASP 44 HN ASP 44 8.444 -7.135 -0.401 330 HA ASP 44 HA ASP 44 7.568 -9.881 -0.010 331 HB2 ASP 44 HB2 ASP 44 10.002 -9.285 0.993 332 HB3 ASP 44 HB1 ASP 44 8.999 -8.633 2.280 333 H THR 45 HN THR 45 5.617 -9.869 1.028 334 HA THR 45 HA THR 45 4.641 -7.307 1.982 335 HB THR 45 HB THR 45 2.522 -8.701 2.424 336 HG1 THR 45 HG1 THR 45 3.786 -10.466 0.575 337 HG21 THR 45 HG21 THR 45 1.909 -8.633 0.018 338 HG22 THR 45 HG22 THR 45 3.587 -8.229 -0.346 339 HG23 THR 45 HG23 THR 45 2.609 -7.139 0.634 340 H HIS 46 HN HIS 46 6.275 -9.931 3.238 341 HA HIS 46 HA HIS 46 5.118 -9.551 5.913 342 HB2 HIS 46 HB2 HIS 46 6.815 -11.771 4.768 343 HB3 HIS 46 HB1 HIS 46 6.439 -11.636 6.476 344 HD1 HIS 46 HD1 HIS 46 4.667 -13.248 7.057 345 HD2 HIS 46 HD2 HIS 46 4.081 -11.592 3.294 346 HE1 HIS 46 HE1 HIS 46 2.545 -14.274 6.194 347 HE2 HIS 46 HE2 HIS 46 2.295 -13.378 3.860 348 H GLU 47 HN GLU 47 7.466 -8.249 4.108 349 HA GLU 47 HA GLU 47 9.196 -7.810 6.438 350 HB2 GLU 47 HB2 GLU 47 11.055 -8.285 5.279 351 HB3 GLU 47 HB1 GLU 47 9.994 -9.043 4.106 352 HG2 GLU 47 HG2 GLU 47 9.922 -6.897 2.857 353 HG3 GLU 47 HG1 GLU 47 11.089 -6.240 4.008 354 H SER 48 HN SER 48 10.146 -5.669 6.531 355 HA SER 48 HA SER 48 8.010 -3.806 5.921 356 HB2 SER 48 HB2 SER 48 10.501 -3.205 7.503 357 HB3 SER 48 HB1 SER 48 8.911 -2.453 7.620 358 HG SER 48 HG SER 48 9.382 -5.179 8.221 359 H PHE 49 HN PHE 49 8.280 -1.834 4.922 360 HA PHE 49 HA PHE 49 9.691 -1.781 2.549 361 HB2 PHE 49 HB2 PHE 49 8.686 0.567 4.141 362 HB3 PHE 49 HB1 PHE 49 9.167 0.623 2.449 363 HD1 PHE 49 HD1 PHE 49 7.772 -0.231 0.744 364 HD2 PHE 49 HD2 PHE 49 6.652 -0.607 4.822 365 HE1 PHE 49 HE1 PHE 49 5.515 -0.883 0.058 366 HE2 PHE 49 HE2 PHE 49 4.380 -1.259 4.141 367 HZ PHE 49 HZ PHE 49 3.766 -1.297 1.835 368 H LYS 50 HN LYS 50 10.670 -0.623 5.668 369 HA LYS 50 HA LYS 50 12.999 0.673 5.281 370 HB2 LYS 50 HB2 LYS 50 11.992 -0.152 7.432 371 HB3 LYS 50 HB1 LYS 50 12.652 -1.734 7.063 372 HG2 LYS 50 HG2 LYS 50 14.073 -0.667 8.630 373 HG3 LYS 50 HG1 LYS 50 14.916 -0.767 7.088 374 HD2 LYS 50 HD2 LYS 50 15.328 1.396 8.038 375 HD3 LYS 50 HD1 LYS 50 14.256 1.595 6.653 376 HE2 LYS 50 HE2 LYS 50 12.344 1.811 8.108 377 HE3 LYS 50 HE1 LYS 50 13.336 1.457 9.522 378 HZ1 LYS 50 HZ1 LYS 50 14.581 3.489 9.100 379 HZ2 LYS 50 HZ2 LYS 50 12.937 3.821 9.306 380 HZ3 LYS 50 HZ3 LYS 50 13.610 3.830 7.758 381 H ASP 51 HN ASP 51 12.604 -2.818 5.271 382 HA ASP 51 HA ASP 51 15.250 -3.356 4.382 383 HB2 ASP 51 HB2 ASP 51 13.565 -4.812 5.761 384 HB3 ASP 51 HB1 ASP 51 13.043 -5.352 4.173 385 H LEU 52 HN LEU 52 12.314 -2.607 2.786 386 HA LEU 52 HA LEU 52 12.960 -3.767 0.247 387 HB2 LEU 52 HB2 LEU 52 10.898 -1.841 1.230 388 HB3 LEU 52 HB1 LEU 52 11.123 -2.070 -0.477 389 HG LEU 52 HG LEU 52 10.535 -4.437 -0.269 390 HD11 LEU 52 HD11 LEU 52 10.213 -3.768 2.635 391 HD12 LEU 52 HD12 LEU 52 11.328 -4.935 1.922 392 HD13 LEU 52 HD13 LEU 52 9.587 -5.226 1.874 393 HD21 LEU 52 HD21 LEU 52 8.578 -2.561 1.024 394 HD22 LEU 52 HD22 LEU 52 8.189 -4.170 0.419 395 HD23 LEU 52 HD23 LEU 52 8.729 -2.912 -0.699 396 H GLY 53 HN GLY 53 13.813 -0.958 1.961 397 HA2 GLY 53 HA2 GLY 53 15.763 0.220 1.230 398 HA3 GLY 53 HA1 GLY 53 15.220 0.022 -0.423 399 H PHE 54 HN PHE 54 12.638 0.861 1.649 400 HA PHE 54 HA PHE 54 12.494 3.412 0.386 401 HB2 PHE 54 HB2 PHE 54 10.747 2.086 2.460 402 HB3 PHE 54 HB1 PHE 54 10.434 3.688 1.802 403 HD1 PHE 54 HD1 PHE 54 9.633 3.986 -0.419 404 HD2 PHE 54 HD2 PHE 54 10.626 0.126 1.037 405 HE1 PHE 54 HE1 PHE 54 8.465 2.984 -2.323 406 HE2 PHE 54 HE2 PHE 54 9.472 -0.903 -0.858 407 HZ PHE 54 HZ PHE 54 8.494 0.559 -2.651 408 H ASP 55 HN ASP 55 12.177 5.430 1.501 409 HA ASP 55 HA ASP 55 13.318 5.899 4.075 410 HB2 ASP 55 HB2 ASP 55 15.312 5.401 2.451 411 HB3 ASP 55 HB1 ASP 55 14.953 6.994 1.791 412 H SER 56 HN SER 56 14.144 8.597 3.587 413 HA SER 56 HA SER 56 11.577 9.854 3.239 414 HB2 SER 56 HB2 SER 56 14.314 11.102 3.594 415 HB3 SER 56 HB1 SER 56 12.769 11.933 3.765 416 HG SER 56 HG SER 56 12.585 11.154 5.704 417 H LEU 57 HN LEU 57 12.364 8.507 0.966 418 HA LEU 57 HA LEU 57 12.376 10.594 -1.055 419 HB2 LEU 57 HB2 LEU 57 14.065 8.116 -1.166 420 HB3 LEU 57 HB1 LEU 57 14.018 9.387 -2.370 421 HG LEU 57 HG LEU 57 14.976 9.793 0.451 422 HD11 LEU 57 HD11 LEU 57 17.246 9.679 -0.465 423 HD12 LEU 57 HD12 LEU 57 16.586 9.219 -2.034 424 HD13 LEU 57 HD13 LEU 57 16.391 8.148 -0.647 425 HD21 LEU 57 HD21 LEU 57 16.006 11.804 -0.496 426 HD22 LEU 57 HD22 LEU 57 14.253 11.808 -0.689 427 HD23 LEU 57 HD23 LEU 57 15.291 11.427 -2.063 428 H THR 58 HN THR 58 12.656 7.083 -0.953 429 HA THR 58 HA THR 58 10.867 6.687 -3.105 430 HB THR 58 HB THR 58 11.084 4.231 -2.255 431 HG1 THR 58 HG1 THR 58 13.249 4.276 -1.015 432 HG21 THR 58 HG21 THR 58 13.278 4.037 -3.292 433 HG22 THR 58 HG22 THR 58 13.532 5.774 -3.118 434 HG23 THR 58 HG23 THR 58 12.273 5.171 -4.196 435 H ALA 59 HN ALA 59 10.567 6.295 0.401 436 HA ALA 59 HA ALA 59 8.028 5.196 0.495 437 HB1 ALA 59 HB1 ALA 59 7.877 6.060 2.745 438 HB2 ALA 59 HB2 ALA 59 9.131 7.257 2.413 439 HB3 ALA 59 HB3 ALA 59 9.542 5.544 2.458 440 H LEU 60 HN LEU 60 9.109 8.459 -0.051 441 HA LEU 60 HA LEU 60 6.643 9.760 0.301 442 HB2 LEU 60 HB2 LEU 60 9.125 10.487 -1.237 443 HB3 LEU 60 HB1 LEU 60 7.740 11.557 -1.126 444 HG LEU 60 HG LEU 60 9.533 12.153 0.475 445 HD11 LEU 60 HD11 LEU 60 7.023 11.152 1.784 446 HD12 LEU 60 HD12 LEU 60 7.218 12.713 0.986 447 HD13 LEU 60 HD13 LEU 60 8.139 12.343 2.445 448 HD21 LEU 60 HD21 LEU 60 9.901 10.742 2.440 449 HD22 LEU 60 HD22 LEU 60 10.416 9.944 0.953 450 HD23 LEU 60 HD23 LEU 60 8.890 9.489 1.718 451 H GLU 61 HN GLU 61 8.289 8.603 -2.644 452 HA GLU 61 HA GLU 61 6.073 9.333 -4.302 453 HB2 GLU 61 HB2 GLU 61 7.230 7.782 -5.989 454 HB3 GLU 61 HB1 GLU 61 8.098 9.226 -5.478 455 HG2 GLU 61 HG2 GLU 61 9.430 7.906 -3.950 456 HG3 GLU 61 HG1 GLU 61 8.526 6.460 -4.383 457 H LEU 62 HN LEU 62 6.975 6.436 -2.547 458 HA LEU 62 HA LEU 62 4.998 4.736 -3.680 459 HB2 LEU 62 HB2 LEU 62 6.778 3.808 -2.346 460 HB3 LEU 62 HB1 LEU 62 6.253 4.726 -0.951 461 HG LEU 62 HG LEU 62 4.148 3.473 -0.904 462 HD11 LEU 62 HD11 LEU 62 3.908 2.984 -3.237 463 HD12 LEU 62 HD12 LEU 62 3.915 1.478 -2.313 464 HD13 LEU 62 HD13 LEU 62 5.351 1.972 -3.207 465 HD21 LEU 62 HD21 LEU 62 6.514 1.635 -1.015 466 HD22 LEU 62 HD22 LEU 62 5.044 1.448 -0.055 467 HD23 LEU 62 HD23 LEU 62 6.184 2.746 0.312 468 H ARG 63 HN ARG 63 5.060 6.752 -0.783 469 HA ARG 63 HA ARG 63 2.488 6.327 0.175 470 HB2 ARG 63 HB2 ARG 63 3.938 7.583 1.533 471 HB3 ARG 63 HB1 ARG 63 4.447 8.610 0.204 472 HG2 ARG 63 HG2 ARG 63 1.917 9.374 0.278 473 HG3 ARG 63 HG1 ARG 63 2.065 8.829 1.952 474 HD2 ARG 63 HD2 ARG 63 2.582 11.227 1.696 475 HD3 ARG 63 HD1 ARG 63 3.953 10.300 2.305 476 HE ARG 63 HE ARG 63 4.493 10.308 -0.296 477 HH11 ARG 63 HH11 ARG 63 3.495 12.927 1.805 478 HH12 ARG 63 HH12 ARG 63 4.266 14.150 0.848 479 HH21 ARG 63 HH21 ARG 63 5.477 11.923 -1.578 480 HH22 ARG 63 HH22 ARG 63 5.397 13.580 -1.071 481 H ASP 64 HN ASP 64 3.815 8.615 -2.127 482 HA ASP 64 HA ASP 64 1.541 9.929 -2.958 483 HB2 ASP 64 HB2 ASP 64 3.967 10.401 -3.523 484 HB3 ASP 64 HB1 ASP 64 3.810 9.160 -4.757 485 H HIS 65 HN HIS 65 2.968 6.907 -4.091 486 HA HIS 65 HA HIS 65 1.229 6.404 -6.226 487 HB2 HIS 65 HB2 HIS 65 2.803 4.566 -4.467 488 HB3 HIS 65 HB1 HIS 65 1.897 4.010 -5.858 489 HD1 HIS 65 HD1 HIS 65 2.892 6.688 -7.554 490 HD2 HIS 65 HD2 HIS 65 5.145 3.795 -5.633 491 HE1 HIS 65 HE1 HIS 65 5.172 6.741 -8.645 492 HE2 HIS 65 HE2 HIS 65 6.469 4.910 -7.545 493 H LEU 66 HN LEU 66 1.032 5.450 -2.789 494 HA LEU 66 HA LEU 66 -1.161 3.710 -3.117 495 HB2 LEU 66 HB2 LEU 66 0.011 5.195 -0.818 496 HB3 LEU 66 HB1 LEU 66 -1.511 4.362 -0.611 497 HG LEU 66 HG LEU 66 -0.551 2.260 -0.777 498 HD11 LEU 66 HD11 LEU 66 1.636 1.789 -1.746 499 HD12 LEU 66 HD12 LEU 66 1.849 3.501 -2.112 500 HD13 LEU 66 HD13 LEU 66 0.581 2.576 -2.915 501 HD21 LEU 66 HD21 LEU 66 1.579 4.049 0.360 502 HD22 LEU 66 HD22 LEU 66 1.484 2.304 0.601 503 HD23 LEU 66 HD23 LEU 66 0.210 3.353 1.226 504 H GLN 67 HN GLN 67 -0.984 7.136 -2.381 505 HA GLN 67 HA GLN 67 -3.786 7.464 -1.903 506 HB2 GLN 67 HB2 GLN 67 -1.937 9.650 -2.802 507 HB3 GLN 67 HB1 GLN 67 -3.326 9.765 -1.730 508 HG2 GLN 67 HG2 GLN 67 -2.201 8.893 0.057 509 HG3 GLN 67 HG1 GLN 67 -1.040 8.053 -0.972 510 HE21 GLN 67 HE21 GLN 67 -0.437 10.343 -2.604 511 HE22 GLN 67 HE22 GLN 67 0.510 11.407 -1.640 512 H THR 68 HN THR 68 -1.670 7.728 -4.672 513 HA THR 68 HA THR 68 -3.541 8.749 -6.490 514 HB THR 68 HB THR 68 -0.919 7.354 -6.528 515 HG1 THR 68 HG1 THR 68 -1.374 9.730 -6.279 516 HG21 THR 68 HG21 THR 68 -2.071 6.340 -8.410 517 HG22 THR 68 HG22 THR 68 -0.815 7.442 -8.973 518 HG23 THR 68 HG23 THR 68 -2.509 7.933 -9.027 519 H ALA 69 HN ALA 69 -2.338 5.568 -5.766 520 HA ALA 69 HA ALA 69 -3.894 4.033 -7.453 521 HB1 ALA 69 HB1 ALA 69 -3.303 2.188 -5.954 522 HB2 ALA 69 HB2 ALA 69 -2.715 3.371 -4.781 523 HB3 ALA 69 HB3 ALA 69 -1.928 3.220 -6.351 524 H THR 70 HN THR 70 -4.492 4.876 -4.041 525 HA THR 70 HA THR 70 -7.001 3.393 -4.108 526 HB THR 70 HB THR 70 -7.115 3.806 -1.705 527 HG1 THR 70 HG1 THR 70 -4.635 5.179 -1.857 528 HG21 THR 70 HG21 THR 70 -5.660 1.997 -2.595 529 HG22 THR 70 HG22 THR 70 -5.138 2.621 -1.029 530 HG23 THR 70 HG23 THR 70 -4.293 3.114 -2.497 531 H GLY 71 HN GLY 71 -5.818 6.646 -3.923 532 HA2 GLY 71 HA2 GLY 71 -6.966 8.606 -4.436 533 HA3 GLY 71 HA1 GLY 71 -8.480 7.707 -4.409 534 H LEU 72 HN LEU 72 -6.622 6.937 -1.781 535 HA LEU 72 HA LEU 72 -8.311 8.543 -0.016 536 HB2 LEU 72 HB2 LEU 72 -6.682 6.038 0.326 537 HB3 LEU 72 HB1 LEU 72 -7.240 6.943 1.716 538 HG LEU 72 HG LEU 72 -8.687 5.026 1.213 539 HD11 LEU 72 HD11 LEU 72 -10.830 6.208 1.240 540 HD12 LEU 72 HD12 LEU 72 -10.009 7.695 0.766 541 HD13 LEU 72 HD13 LEU 72 -9.653 6.949 2.324 542 HD21 LEU 72 HD21 LEU 72 -8.422 4.936 -1.199 543 HD22 LEU 72 HD22 LEU 72 -9.308 6.447 -1.363 544 HD23 LEU 72 HD23 LEU 72 -10.121 5.009 -0.745 545 H ASN 73 HN ASN 73 -6.732 8.571 2.252 546 HA ASN 73 HA ASN 73 -4.648 10.447 1.374 547 HB2 ASN 73 HB2 ASN 73 -6.641 11.574 2.290 548 HB3 ASN 73 HB1 ASN 73 -6.434 10.689 3.797 549 HD21 ASN 73 HD21 ASN 73 -5.023 13.101 1.691 550 HD22 ASN 73 HD22 ASN 73 -4.037 13.851 2.899 551 H LEU 74 HN LEU 74 -2.798 9.449 1.714 552 HA LEU 74 HA LEU 74 -2.427 7.928 4.174 553 HB2 LEU 74 HB2 LEU 74 -0.908 7.855 1.575 554 HB3 LEU 74 HB1 LEU 74 -0.429 6.975 3.008 555 HG LEU 74 HG LEU 74 -1.507 5.376 1.704 556 HD11 LEU 74 HD11 LEU 74 -2.338 5.414 3.978 557 HD12 LEU 74 HD12 LEU 74 -3.569 4.856 2.845 558 HD13 LEU 74 HD13 LEU 74 -3.637 6.495 3.483 559 HD21 LEU 74 HD21 LEU 74 -2.431 6.754 -0.032 560 HD22 LEU 74 HD22 LEU 74 -3.612 7.440 1.080 561 HD23 LEU 74 HD23 LEU 74 -3.722 5.740 0.625 562 H SER 75 HN SER 75 0.516 8.131 4.222 563 HA SER 75 HA SER 75 0.675 10.950 4.993 564 HB2 SER 75 HB2 SER 75 -0.301 9.585 6.887 565 HB3 SER 75 HB1 SER 75 1.260 8.775 6.998 566 HG SER 75 HG SER 75 0.695 11.531 7.376 567 H SER 76 HN SER 76 2.906 11.399 6.080 568 HA SER 76 HA SER 76 4.823 11.023 4.072 569 HB2 SER 76 HB2 SER 76 5.407 11.796 6.934 570 HB3 SER 76 HB1 SER 76 6.320 12.238 5.492 571 HG SER 76 HG SER 76 5.114 13.971 5.618 572 H THR 77 HN THR 77 4.631 9.559 7.308 573 HA THR 77 HA THR 77 6.838 7.754 6.585 574 HB THR 77 HB THR 77 6.931 7.281 9.060 575 HG1 THR 77 HG1 THR 77 5.786 8.571 10.444 576 HG21 THR 77 HG21 THR 77 8.495 8.803 7.980 577 HG22 THR 77 HG22 THR 77 8.088 9.376 9.598 578 HG23 THR 77 HG23 THR 77 7.356 10.133 8.183 579 H LEU 78 HN LEU 78 4.299 7.506 5.595 580 HA LEU 78 HA LEU 78 2.396 5.991 6.811 581 HB2 LEU 78 HB2 LEU 78 2.304 7.115 4.624 582 HB3 LEU 78 HB1 LEU 78 3.365 5.904 3.970 583 HG LEU 78 HG LEU 78 0.791 5.857 3.549 584 HD11 LEU 78 HD11 LEU 78 0.929 3.376 3.338 585 HD12 LEU 78 HD12 LEU 78 2.541 3.490 4.046 586 HD13 LEU 78 HD13 LEU 78 2.185 4.304 2.511 587 HD21 LEU 78 HD21 LEU 78 -0.146 5.794 5.633 588 HD22 LEU 78 HD22 LEU 78 1.092 4.712 6.279 589 HD23 LEU 78 HD23 LEU 78 -0.146 4.087 5.181 590 H ILE 79 HN ILE 79 4.920 4.667 4.696 591 HA ILE 79 HA ILE 79 4.372 1.954 5.480 592 HB ILE 79 HB ILE 79 6.209 1.385 3.996 593 HG12 ILE 79 HG12 ILE 79 6.738 4.343 4.042 594 HG13 ILE 79 HG11 ILE 79 7.854 3.034 4.421 595 HG21 ILE 79 HG21 ILE 79 4.460 3.572 2.903 596 HG22 ILE 79 HG22 ILE 79 4.082 1.847 2.959 597 HG23 ILE 79 HG23 ILE 79 5.399 2.433 1.939 598 HD11 ILE 79 HD11 ILE 79 6.794 3.871 1.753 599 HD12 ILE 79 HD12 ILE 79 7.627 2.334 2.014 600 HD13 ILE 79 HD13 ILE 79 8.466 3.855 2.312 601 H PHE 80 HN PHE 80 5.787 4.199 7.269 602 HA PHE 80 HA PHE 80 7.629 2.249 8.468 603 HB2 PHE 80 HB2 PHE 80 7.764 5.270 8.538 604 HB3 PHE 80 HB1 PHE 80 8.853 4.196 9.410 605 HD1 PHE 80 HD1 PHE 80 8.999 6.306 6.885 606 HD2 PHE 80 HD2 PHE 80 9.434 2.115 7.487 607 HE1 PHE 80 HE1 PHE 80 10.402 6.165 4.872 608 HE2 PHE 80 HE2 PHE 80 10.837 1.955 5.473 609 HZ PHE 80 HZ PHE 80 11.329 3.992 4.164 610 H ASP 81 HN ASP 81 4.827 4.038 8.689 611 HA ASP 81 HA ASP 81 4.453 3.758 11.533 612 HB2 ASP 81 HB2 ASP 81 3.282 5.359 9.634 613 HB3 ASP 81 HB1 ASP 81 2.116 4.059 9.788 614 H HIS 82 HN HIS 82 3.592 2.318 8.522 615 HA HIS 82 HA HIS 82 2.620 -0.102 9.856 616 HB2 HIS 82 HB2 HIS 82 1.808 0.881 7.112 617 HB3 HIS 82 HB1 HIS 82 1.046 -0.376 8.073 618 HD1 HIS 82 HD1 HIS 82 -0.357 0.429 10.170 619 HD2 HIS 82 HD2 HIS 82 1.013 3.459 7.672 620 HE1 HIS 82 HE1 HIS 82 -1.541 2.510 10.926 621 HE2 HIS 82 HE2 HIS 82 -0.493 4.361 9.576 622 HA PRO 83 HA PRO 83 6.615 -1.044 8.453 623 HB2 PRO 83 HB2 PRO 83 6.569 -3.750 8.975 624 HB3 PRO 83 HB1 PRO 83 6.828 -2.500 10.195 625 HG2 PRO 83 HG2 PRO 83 4.298 -3.946 9.468 626 HG3 PRO 83 HG1 PRO 83 4.939 -3.547 11.079 627 HD2 PRO 83 HD2 PRO 83 2.992 -2.084 9.971 628 HD3 PRO 83 HD1 PRO 83 4.277 -1.321 10.919 629 H THR 84 HN THR 84 4.059 -3.230 7.300 630 HA THR 84 HA THR 84 5.766 -3.815 4.997 631 HB THR 84 HB THR 84 4.752 -6.023 4.925 632 HG1 THR 84 HG1 THR 84 3.577 -6.312 7.224 633 HG21 THR 84 HG21 THR 84 5.741 -6.966 6.955 634 HG22 THR 84 HG22 THR 84 5.775 -5.364 7.694 635 HG23 THR 84 HG23 THR 84 6.783 -5.706 6.289 636 HA PRO 85 HA PRO 85 2.480 -2.615 2.257 637 HB2 PRO 85 HB2 PRO 85 2.819 -5.250 0.940 638 HB3 PRO 85 HB1 PRO 85 2.928 -3.635 0.239 639 HG2 PRO 85 HG2 PRO 85 5.107 -5.140 0.657 640 HG3 PRO 85 HG1 PRO 85 5.135 -3.376 0.836 641 HD2 PRO 85 HD2 PRO 85 5.091 -5.487 2.929 642 HD3 PRO 85 HD1 PRO 85 5.879 -3.903 2.944 643 H HIS 86 HN HIS 86 2.612 -5.487 4.022 644 HA HIS 86 HA HIS 86 -0.116 -6.312 3.632 645 HB2 HIS 86 HB2 HIS 86 1.198 -8.078 4.337 646 HB3 HIS 86 HB1 HIS 86 2.163 -7.077 5.398 647 HD1 HIS 86 HD1 HIS 86 -0.587 -9.473 5.422 648 HD2 HIS 86 HD2 HIS 86 0.800 -6.416 7.881 649 HE1 HIS 86 HE1 HIS 86 -1.625 -9.900 7.670 650 HE2 HIS 86 HE2 HIS 86 -0.919 -7.939 9.084 651 H ALA 87 HN ALA 87 1.728 -4.575 6.071 652 HA ALA 87 HA ALA 87 -0.491 -4.062 7.803 653 HB1 ALA 87 HB1 ALA 87 2.199 -2.701 7.683 654 HB2 ALA 87 HB2 ALA 87 1.846 -4.171 8.597 655 HB3 ALA 87 HB3 ALA 87 1.061 -2.653 9.031 656 H VAL 88 HN VAL 88 0.825 -2.658 5.046 657 HA VAL 88 HA VAL 88 -0.309 -0.029 5.492 658 HB VAL 88 HB VAL 88 1.196 -1.256 3.208 659 HG11 VAL 88 HG11 VAL 88 1.268 1.012 2.238 660 HG12 VAL 88 HG12 VAL 88 0.101 1.527 3.457 661 HG13 VAL 88 HG13 VAL 88 -0.347 0.305 2.267 662 HG21 VAL 88 HG21 VAL 88 1.944 0.871 5.203 663 HG22 VAL 88 HG22 VAL 88 2.943 0.343 3.848 664 HG23 VAL 88 HG23 VAL 88 2.554 -0.788 5.146 665 H ALA 89 HN ALA 89 -0.794 -2.790 3.346 666 HA ALA 89 HA ALA 89 -2.932 -1.711 1.906 667 HB1 ALA 89 HB1 ALA 89 -3.538 -4.040 1.390 668 HB2 ALA 89 HB2 ALA 89 -2.354 -4.589 2.582 669 HB3 ALA 89 HB3 ALA 89 -1.826 -3.701 1.152 670 H GLU 90 HN GLU 90 -2.892 -3.525 5.007 671 HA GLU 90 HA GLU 90 -5.748 -3.495 5.206 672 HB2 GLU 90 HB2 GLU 90 -5.292 -4.071 7.618 673 HB3 GLU 90 HB1 GLU 90 -4.590 -5.173 6.439 674 HG2 GLU 90 HG2 GLU 90 -2.440 -4.084 6.687 675 HG3 GLU 90 HG1 GLU 90 -3.127 -2.964 7.858 676 H HIS 91 HN HIS 91 -3.164 -1.351 6.036 677 HA HIS 91 HA HIS 91 -4.614 0.459 7.607 678 HB2 HIS 91 HB2 HIS 91 -2.251 0.619 7.668 679 HB3 HIS 91 HB1 HIS 91 -2.139 0.755 5.911 680 HD1 HIS 91 HD1 HIS 91 -3.404 2.745 8.897 681 HD2 HIS 91 HD2 HIS 91 -2.174 3.267 4.963 682 HE1 HIS 91 HE1 HIS 91 -3.353 5.232 8.536 683 HE2 HIS 91 HE2 HIS 91 -2.728 5.532 6.118 684 H LEU 92 HN LEU 92 -4.463 -0.135 4.208 685 HA LEU 92 HA LEU 92 -5.627 2.359 3.438 686 HB2 LEU 92 HB2 LEU 92 -4.806 -0.149 2.077 687 HB3 LEU 92 HB1 LEU 92 -6.053 0.813 1.293 688 HG LEU 92 HG LEU 92 -4.624 2.615 0.920 689 HD11 LEU 92 HD11 LEU 92 -3.756 2.850 3.199 690 HD12 LEU 92 HD12 LEU 92 -2.463 2.941 2.004 691 HD13 LEU 92 HD13 LEU 92 -2.698 1.462 2.937 692 HD21 LEU 92 HD21 LEU 92 -2.617 1.702 -0.097 693 HD22 LEU 92 HD22 LEU 92 -4.022 0.695 -0.448 694 HD23 LEU 92 HD23 LEU 92 -2.857 0.190 0.777 695 H LEU 93 HN LEU 93 -6.792 -0.371 4.902 696 HA LEU 93 HA LEU 93 -9.515 -0.231 3.909 697 HB2 LEU 93 HB2 LEU 93 -8.225 -1.716 6.169 698 HB3 LEU 93 HB1 LEU 93 -9.959 -1.701 5.955 699 HG LEU 93 HG LEU 93 -9.852 -3.016 4.021 700 HD11 LEU 93 HD11 LEU 93 -6.898 -2.411 3.924 701 HD12 LEU 93 HD12 LEU 93 -8.134 -1.820 2.809 702 HD13 LEU 93 HD13 LEU 93 -7.741 -3.540 2.857 703 HD21 LEU 93 HD21 LEU 93 -8.566 -4.946 4.699 704 HD22 LEU 93 HD22 LEU 93 -9.318 -4.197 6.109 705 HD23 LEU 93 HD23 LEU 93 -7.599 -3.947 5.787 706 H GLU 94 HN GLU 94 -7.573 0.913 6.477 707 HA GLU 94 HA GLU 94 -9.458 1.880 8.288 708 HB2 GLU 94 HB2 GLU 94 -6.698 2.803 7.518 709 HB3 GLU 94 HB1 GLU 94 -7.581 3.490 8.884 710 HG2 GLU 94 HG2 GLU 94 -6.703 0.627 8.547 711 HG3 GLU 94 HG1 GLU 94 -6.001 1.824 9.636 712 H GLN 95 HN GLN 95 -8.349 3.059 5.237 713 HA GLN 95 HA GLN 95 -9.357 5.734 5.548 714 HB2 GLN 95 HB2 GLN 95 -8.557 4.399 2.981 715 HB3 GLN 95 HB1 GLN 95 -8.359 6.082 3.449 716 HG2 GLN 95 HG2 GLN 95 -6.886 3.810 4.743 717 HG3 GLN 95 HG1 GLN 95 -6.255 4.737 3.389 718 HE21 GLN 95 HE21 GLN 95 -5.398 4.388 6.197 719 HE22 GLN 95 HE22 GLN 95 -5.216 5.994 6.810 720 H ILE 96 HN ILE 96 -10.580 2.706 4.666 721 HA ILE 96 HA ILE 96 -12.371 3.530 2.605 722 HB ILE 96 HB ILE 96 -12.107 0.935 4.089 723 HG12 ILE 96 HG12 ILE 96 -10.063 1.769 3.029 724 HG13 ILE 96 HG11 ILE 96 -10.643 0.300 2.283 725 HG21 ILE 96 HG21 ILE 96 -13.221 -0.125 2.286 726 HG22 ILE 96 HG22 ILE 96 -13.260 1.372 1.359 727 HG23 ILE 96 HG23 ILE 96 -14.238 1.214 2.819 728 HD11 ILE 96 HD11 ILE 96 -11.483 1.522 0.403 729 HD12 ILE 96 HD12 ILE 96 -9.811 2.020 0.688 730 HD13 ILE 96 HD13 ILE 96 -11.148 3.058 1.200 731 HA PRO 97 HA PRO 97 -15.748 4.784 5.023 732 HB2 PRO 97 HB2 PRO 97 -17.616 4.846 3.126 733 HB3 PRO 97 HB1 PRO 97 -16.200 5.905 3.055 734 HG2 PRO 97 HG2 PRO 97 -16.634 3.270 1.696 735 HG3 PRO 97 HG1 PRO 97 -16.095 4.796 0.986 736 HD2 PRO 97 HD2 PRO 97 -14.372 2.863 1.694 737 HD3 PRO 97 HD1 PRO 97 -13.973 4.573 1.834 738 H GLY 98 HN GLY 98 -15.853 2.761 6.358 739 HA2 GLY 98 HA2 GLY 98 -17.420 1.459 7.465 740 HA3 GLY 98 HA1 GLY 98 -18.549 1.766 6.159 741 H ILE 99 HN ILE 99 -17.589 0.703 3.999 742 HA ILE 99 HA ILE 99 -17.918 -2.044 4.175 743 HB ILE 99 HB ILE 99 -16.492 -1.938 1.923 744 HG12 ILE 99 HG12 ILE 99 -17.553 0.839 1.876 745 HG13 ILE 99 HG11 ILE 99 -16.045 0.568 2.737 746 HG21 ILE 99 HG21 ILE 99 -18.563 -1.368 0.739 747 HG22 ILE 99 HG22 ILE 99 -19.261 -0.791 2.252 748 HG23 ILE 99 HG23 ILE 99 -18.852 -2.495 2.064 749 HD11 ILE 99 HD11 ILE 99 -15.630 1.277 0.474 750 HD12 ILE 99 HD12 ILE 99 -16.579 -0.084 -0.148 751 HD13 ILE 99 HD13 ILE 99 -15.067 -0.382 0.722 752 H GLY 100 HN GLY 100 -15.024 -0.140 4.531 753 HA2 GLY 100 HA2 GLY 100 -13.449 -2.611 4.810 754 HA3 GLY 100 HA1 GLY 100 -12.788 -1.061 4.293 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 -4.110 12.254 -1.069 2 H2 GLY 1 HT2 GLY 1 -5.277 11.066 -0.761 3 H3 GLY 1 HT3 GLY 1 -5.330 12.539 0.067 4 HA2 GLY 1 HA1 GLY 1 -5.774 13.719 -1.991 5 HA3 GLY 1 HA2 GLY 1 -5.735 12.184 -2.846 6 H SER 2 HN SER 2 -7.941 13.786 -3.020 7 HA SER 2 HA SER 2 -9.900 12.459 -1.275 8 HB2 SER 2 HB2 SER 2 -9.822 14.963 -1.184 9 HB3 SER 2 HB1 SER 2 -10.276 14.996 -2.887 10 HG SER 2 HG SER 2 -12.256 14.258 -2.401 11 H THR 3 HN THR 3 -10.337 10.621 -2.364 12 HA THR 3 HA THR 3 -11.850 10.851 -4.812 13 HB THR 3 HB THR 3 -9.210 9.389 -4.741 14 HG1 THR 3 HG1 THR 3 -9.928 11.765 -5.634 15 HG21 THR 3 HG21 THR 3 -11.424 9.151 -6.778 16 HG22 THR 3 HG22 THR 3 -10.816 7.873 -5.718 17 HG23 THR 3 HG23 THR 3 -9.785 8.535 -6.993 18 H ALA 4 HN ALA 4 -10.038 8.199 -3.329 19 HA ALA 4 HA ALA 4 -10.602 6.225 -2.437 20 HB1 ALA 4 HB1 ALA 4 -11.791 7.618 -0.792 21 HB2 ALA 4 HB2 ALA 4 -12.570 6.055 -1.040 22 HB3 ALA 4 HB3 ALA 4 -13.250 7.506 -1.778 23 H THR 5 HN THR 5 -13.530 7.386 -4.117 24 HA THR 5 HA THR 5 -14.834 5.090 -4.705 25 HB THR 5 HB THR 5 -14.436 7.283 -6.734 26 HG1 THR 5 HG1 THR 5 -15.780 7.224 -4.268 27 HG21 THR 5 HG21 THR 5 -16.788 5.476 -6.162 28 HG22 THR 5 HG22 THR 5 -15.694 5.334 -7.536 29 HG23 THR 5 HG23 THR 5 -16.735 6.749 -7.380 30 H LEU 6 HN LEU 6 -11.940 6.172 -6.328 31 HA LEU 6 HA LEU 6 -11.876 4.461 -8.501 32 HB2 LEU 6 HB2 LEU 6 -10.255 6.148 -8.403 33 HB3 LEU 6 HB1 LEU 6 -9.779 5.714 -6.773 34 HG LEU 6 HG LEU 6 -8.670 3.702 -7.609 35 HD11 LEU 6 HD11 LEU 6 -10.089 3.272 -9.549 36 HD12 LEU 6 HD12 LEU 6 -8.387 3.343 -10.005 37 HD13 LEU 6 HD13 LEU 6 -9.449 4.710 -10.345 38 HD21 LEU 6 HD21 LEU 6 -7.451 5.821 -7.419 39 HD22 LEU 6 HD22 LEU 6 -7.853 6.195 -9.095 40 HD23 LEU 6 HD23 LEU 6 -6.823 4.813 -8.722 41 H LEU 7 HN LEU 7 -10.321 3.933 -5.337 42 HA LEU 7 HA LEU 7 -9.987 1.117 -5.968 43 HB2 LEU 7 HB2 LEU 7 -8.625 2.981 -4.367 44 HB3 LEU 7 HB1 LEU 7 -9.321 1.814 -3.260 45 HG LEU 7 HG LEU 7 -7.008 1.238 -3.962 46 HD11 LEU 7 HD11 LEU 7 -7.491 -1.100 -4.272 47 HD12 LEU 7 HD12 LEU 7 -9.124 -0.721 -4.834 48 HD13 LEU 7 HD13 LEU 7 -8.673 -0.401 -3.161 49 HD21 LEU 7 HD21 LEU 7 -7.297 2.058 -6.319 50 HD22 LEU 7 HD22 LEU 7 -8.260 0.614 -6.631 51 HD23 LEU 7 HD23 LEU 7 -6.565 0.460 -6.172 52 H THR 8 HN THR 8 -11.903 3.181 -3.980 53 HA THR 8 HA THR 8 -12.922 1.373 -2.119 54 HB THR 8 HB THR 8 -13.974 3.898 -3.323 55 HG1 THR 8 HG1 THR 8 -12.230 3.445 -1.518 56 HG21 THR 8 HG21 THR 8 -15.311 2.323 -1.121 57 HG22 THR 8 HG22 THR 8 -15.953 2.562 -2.744 58 HG23 THR 8 HG23 THR 8 -15.767 3.939 -1.658 59 H SER 9 HN SER 9 -13.871 2.009 -5.432 60 HA SER 9 HA SER 9 -16.224 0.437 -5.432 61 HB2 SER 9 HB2 SER 9 -14.372 1.414 -7.600 62 HB3 SER 9 HB1 SER 9 -15.841 0.492 -7.954 63 HG SER 9 HG SER 9 -15.509 3.107 -7.180 64 H LYS 10 HN LYS 10 -12.857 -0.319 -5.596 65 HA LYS 10 HA LYS 10 -13.121 -3.028 -6.485 66 HB2 LYS 10 HB2 LYS 10 -10.988 -1.505 -6.402 67 HB3 LYS 10 HB1 LYS 10 -10.906 -1.988 -4.713 68 HG2 LYS 10 HG2 LYS 10 -10.132 -3.447 -7.126 69 HG3 LYS 10 HG1 LYS 10 -9.583 -3.619 -5.469 70 HD2 LYS 10 HD2 LYS 10 -10.592 -5.624 -5.705 71 HD3 LYS 10 HD1 LYS 10 -11.996 -4.681 -5.206 72 HE2 LYS 10 HE2 LYS 10 -12.725 -5.928 -7.035 73 HE3 LYS 10 HE1 LYS 10 -12.428 -4.318 -7.684 74 HZ1 LYS 10 HZ1 LYS 10 -11.547 -6.034 -9.139 75 HZ2 LYS 10 HZ2 LYS 10 -10.569 -6.625 -7.894 76 HZ3 LYS 10 HZ3 LYS 10 -10.294 -5.079 -8.522 77 H LEU 11 HN LEU 11 -12.486 -1.523 -3.334 78 HA LEU 11 HA LEU 11 -12.517 -3.894 -1.850 79 HB2 LEU 11 HB2 LEU 11 -13.156 -1.108 -0.907 80 HB3 LEU 11 HB1 LEU 11 -12.862 -2.472 0.143 81 HG LEU 11 HG LEU 11 -10.792 -1.532 0.199 82 HD11 LEU 11 HD11 LEU 11 -9.287 -2.721 -1.241 83 HD12 LEU 11 HD12 LEU 11 -10.588 -3.037 -2.395 84 HD13 LEU 11 HD13 LEU 11 -10.622 -3.787 -0.795 85 HD21 LEU 11 HD21 LEU 11 -11.528 0.296 -1.394 86 HD22 LEU 11 HD22 LEU 11 -10.907 -0.730 -2.695 87 HD23 LEU 11 HD23 LEU 11 -9.821 -0.143 -1.429 88 H ALA 12 HN ALA 12 -15.097 -1.883 -2.941 89 HA ALA 12 HA ALA 12 -17.219 -2.691 -1.366 90 HB1 ALA 12 HB1 ALA 12 -17.191 -2.219 -4.348 91 HB2 ALA 12 HB2 ALA 12 -17.378 -0.980 -3.104 92 HB3 ALA 12 HB3 ALA 12 -18.625 -2.210 -3.318 93 H GLY 13 HN GLY 13 -15.551 -4.392 -3.918 94 HA2 GLY 13 HA2 GLY 13 -17.516 -6.528 -4.025 95 HA3 GLY 13 HA1 GLY 13 -16.055 -6.387 -4.995 96 H LEU 14 HN LEU 14 -14.966 -5.832 -1.987 97 HA LEU 14 HA LEU 14 -14.317 -8.667 -1.588 98 HB2 LEU 14 HB2 LEU 14 -12.820 -6.190 -0.869 99 HB3 LEU 14 HB1 LEU 14 -12.372 -7.753 -0.294 100 HG LEU 14 HG LEU 14 -10.971 -7.712 -2.018 101 HD11 LEU 14 HD11 LEU 14 -13.492 -8.312 -3.538 102 HD12 LEU 14 HD12 LEU 14 -12.539 -9.469 -2.602 103 HD13 LEU 14 HD13 LEU 14 -11.848 -8.715 -4.043 104 HD21 LEU 14 HD21 LEU 14 -11.266 -6.283 -3.978 105 HD22 LEU 14 HD22 LEU 14 -11.387 -5.401 -2.455 106 HD23 LEU 14 HD23 LEU 14 -12.846 -5.798 -3.363 107 H THR 15 HN THR 15 -13.693 -9.200 0.593 108 HA THR 15 HA THR 15 -15.245 -7.855 2.681 109 HB THR 15 HB THR 15 -14.839 -9.823 4.019 110 HG1 THR 15 HG1 THR 15 -13.405 -11.454 3.309 111 HG21 THR 15 HG21 THR 15 -15.733 -11.628 2.577 112 HG22 THR 15 HG22 THR 15 -15.402 -10.628 1.158 113 HG23 THR 15 HG23 THR 15 -16.595 -10.105 2.351 114 H ALA 16 HN ALA 16 -13.889 -7.550 4.788 115 HA ALA 16 HA ALA 16 -11.823 -5.796 4.345 116 HB1 ALA 16 HB1 ALA 16 -11.191 -6.096 6.679 117 HB2 ALA 16 HB2 ALA 16 -12.112 -7.597 6.750 118 HB3 ALA 16 HB3 ALA 16 -12.945 -6.064 6.506 119 H THR 17 HN THR 17 -11.623 -9.294 4.560 120 HA THR 17 HA THR 17 -8.780 -9.367 4.690 121 HB THR 17 HB THR 17 -10.776 -11.535 4.032 122 HG1 THR 17 HG1 THR 17 -10.069 -10.324 6.339 123 HG21 THR 17 HG21 THR 17 -8.565 -12.065 3.168 124 HG22 THR 17 HG22 THR 17 -8.958 -13.091 4.550 125 HG23 THR 17 HG23 THR 17 -7.856 -11.728 4.746 126 H GLU 18 HN GLU 18 -11.129 -9.749 1.996 127 HA GLU 18 HA GLU 18 -9.039 -10.190 0.131 128 HB2 GLU 18 HB2 GLU 18 -11.920 -9.432 -0.212 129 HB3 GLU 18 HB1 GLU 18 -10.831 -9.848 -1.514 130 HG2 GLU 18 HG2 GLU 18 -10.541 -12.069 -0.518 131 HG3 GLU 18 HG1 GLU 18 -11.698 -11.628 0.733 132 H GLN 19 HN GLN 19 -10.711 -7.424 1.414 133 HA GLN 19 HA GLN 19 -9.869 -5.496 -0.452 134 HB2 GLN 19 HB2 GLN 19 -10.449 -5.243 2.496 135 HB3 GLN 19 HB1 GLN 19 -10.314 -3.895 1.379 136 HG2 GLN 19 HG2 GLN 19 -12.220 -4.641 0.171 137 HG3 GLN 19 HG1 GLN 19 -12.304 -6.110 1.121 138 HE21 GLN 19 HE21 GLN 19 -14.323 -4.156 0.717 139 HE22 GLN 19 HE22 GLN 19 -14.741 -3.548 2.285 140 H ARG 20 HN ARG 20 -8.516 -6.588 2.620 141 HA ARG 20 HA ARG 20 -6.193 -5.024 2.504 142 HB2 ARG 20 HB2 ARG 20 -5.379 -6.358 4.259 143 HB3 ARG 20 HB1 ARG 20 -7.115 -6.230 4.473 144 HG2 ARG 20 HG2 ARG 20 -7.380 -8.355 3.339 145 HG3 ARG 20 HG1 ARG 20 -5.620 -8.507 3.346 146 HD2 ARG 20 HD2 ARG 20 -7.433 -8.346 5.735 147 HD3 ARG 20 HD1 ARG 20 -6.501 -9.744 5.222 148 HE ARG 20 HE ARG 20 -4.884 -7.442 5.812 149 HH11 ARG 20 HH11 ARG 20 -6.446 -10.276 7.136 150 HH12 ARG 20 HH12 ARG 20 -5.474 -10.301 8.573 151 HH21 ARG 20 HH21 ARG 20 -3.599 -7.462 7.747 152 HH22 ARG 20 HH22 ARG 20 -3.888 -8.712 8.921 153 H ALA 21 HN ALA 21 -7.101 -8.018 1.098 154 HA ALA 21 HA ALA 21 -4.528 -8.861 0.262 155 HB1 ALA 21 HB1 ALA 21 -7.192 -9.630 -0.892 156 HB2 ALA 21 HB2 ALA 21 -6.429 -10.390 0.505 157 HB3 ALA 21 HB3 ALA 21 -5.671 -10.502 -1.083 158 H VAL 22 HN VAL 22 -7.088 -7.091 -1.427 159 HA VAL 22 HA VAL 22 -5.856 -7.245 -3.957 160 HB VAL 22 HB VAL 22 -7.330 -5.296 -4.597 161 HG11 VAL 22 HG11 VAL 22 -9.335 -6.582 -4.640 162 HG12 VAL 22 HG12 VAL 22 -8.806 -7.549 -3.252 163 HG13 VAL 22 HG13 VAL 22 -7.974 -7.701 -4.803 164 HG21 VAL 22 HG21 VAL 22 -9.100 -4.662 -3.016 165 HG22 VAL 22 HG22 VAL 22 -7.498 -4.208 -2.437 166 HG23 VAL 22 HG23 VAL 22 -8.312 -5.622 -1.762 167 H THR 23 HN THR 23 -5.654 -4.711 -1.448 168 HA THR 23 HA THR 23 -3.667 -3.450 -3.153 169 HB THR 23 HB THR 23 -5.093 -1.877 -2.274 170 HG1 THR 23 HG1 THR 23 -2.596 -1.825 -0.966 171 HG21 THR 23 HG21 THR 23 -4.372 -2.720 0.503 172 HG22 THR 23 HG22 THR 23 -5.877 -3.160 -0.300 173 HG23 THR 23 HG23 THR 23 -5.523 -1.465 0.051 174 H ARG 24 HN ARG 24 -3.673 -5.724 -0.627 175 HA ARG 24 HA ARG 24 -0.988 -5.316 0.209 176 HB2 ARG 24 HB2 ARG 24 -2.360 -7.019 1.288 177 HB3 ARG 24 HB1 ARG 24 -2.558 -7.868 -0.233 178 HG2 ARG 24 HG2 ARG 24 0.068 -7.982 -0.121 179 HG3 ARG 24 HG1 ARG 24 -0.233 -7.780 1.606 180 HD2 ARG 24 HD2 ARG 24 -1.757 -9.708 1.543 181 HD3 ARG 24 HD1 ARG 24 -1.404 -9.905 -0.175 182 HE ARG 24 HE ARG 24 1.031 -9.964 1.124 183 HH11 ARG 24 HH11 ARG 24 -1.916 -11.857 1.188 184 HH12 ARG 24 HH12 ARG 24 -1.097 -13.338 1.576 185 HH21 ARG 24 HH21 ARG 24 2.100 -11.901 1.631 186 HH22 ARG 24 HH22 ARG 24 1.181 -13.366 1.824 187 H LYS 25 HN LYS 25 -2.523 -6.086 -2.661 188 HA LYS 25 HA LYS 25 -0.140 -6.984 -4.016 189 HB2 LYS 25 HB2 LYS 25 -1.889 -8.260 -4.756 190 HB3 LYS 25 HB1 LYS 25 -3.074 -7.015 -4.441 191 HG2 LYS 25 HG2 LYS 25 -2.982 -7.474 -6.786 192 HG3 LYS 25 HG1 LYS 25 -2.384 -5.850 -6.463 193 HD2 LYS 25 HD2 LYS 25 -0.070 -6.713 -6.619 194 HD3 LYS 25 HD1 LYS 25 -0.715 -8.308 -7.009 195 HE2 LYS 25 HE2 LYS 25 -1.082 -5.785 -8.618 196 HE3 LYS 25 HE1 LYS 25 -0.039 -7.144 -9.032 197 HZ1 LYS 25 HZ1 LYS 25 -3.001 -7.204 -8.829 198 HZ2 LYS 25 HZ2 LYS 25 -2.027 -8.546 -9.150 199 HZ3 LYS 25 HZ3 LYS 25 -2.093 -7.269 -10.252 200 H LEU 26 HN LEU 26 -2.426 -4.235 -3.818 201 HA LEU 26 HA LEU 26 -1.261 -2.780 -5.949 202 HB2 LEU 26 HB2 LEU 26 -3.543 -2.390 -5.321 203 HB3 LEU 26 HB1 LEU 26 -3.064 -1.940 -3.702 204 HG LEU 26 HG LEU 26 -3.758 -0.096 -5.338 205 HD11 LEU 26 HD11 LEU 26 -2.707 0.092 -3.082 206 HD12 LEU 26 HD12 LEU 26 -2.445 1.456 -4.174 207 HD13 LEU 26 HD13 LEU 26 -1.160 0.275 -3.912 208 HD21 LEU 26 HD21 LEU 26 -1.996 0.846 -6.695 209 HD22 LEU 26 HD22 LEU 26 -2.373 -0.800 -7.213 210 HD23 LEU 26 HD23 LEU 26 -0.930 -0.491 -6.249 211 H VAL 27 HN VAL 27 -0.946 -2.326 -2.381 212 HA VAL 27 HA VAL 27 0.871 -0.210 -2.537 213 HB VAL 27 HB VAL 27 -0.059 -0.723 -0.368 214 HG11 VAL 27 HG11 VAL 27 0.748 -2.750 0.877 215 HG12 VAL 27 HG12 VAL 27 1.347 -3.358 -0.670 216 HG13 VAL 27 HG13 VAL 27 -0.373 -3.062 -0.447 217 HG21 VAL 27 HG21 VAL 27 1.946 -0.717 1.020 218 HG22 VAL 27 HG22 VAL 27 2.173 0.312 -0.395 219 HG23 VAL 27 HG23 VAL 27 2.908 -1.294 -0.343 220 H LEU 28 HN LEU 28 1.255 -3.611 -2.662 221 HA LEU 28 HA LEU 28 4.021 -3.892 -2.731 222 HB2 LEU 28 HB2 LEU 28 1.898 -5.537 -2.738 223 HB3 LEU 28 HB1 LEU 28 2.311 -5.608 -4.435 224 HG LEU 28 HG LEU 28 4.437 -6.577 -3.960 225 HD11 LEU 28 HD11 LEU 28 5.106 -7.000 -1.601 226 HD12 LEU 28 HD12 LEU 28 3.787 -5.933 -1.101 227 HD13 LEU 28 HD13 LEU 28 5.114 -5.303 -2.076 228 HD21 LEU 28 HD21 LEU 28 2.664 -8.172 -3.954 229 HD22 LEU 28 HD22 LEU 28 2.193 -7.729 -2.311 230 HD23 LEU 28 HD23 LEU 28 3.723 -8.571 -2.597 231 H ASP 29 HN ASP 29 1.666 -3.462 -5.284 232 HA ASP 29 HA ASP 29 3.409 -3.666 -7.495 233 HB2 ASP 29 HB2 ASP 29 0.932 -3.870 -7.606 234 HB3 ASP 29 HB1 ASP 29 0.809 -2.157 -7.261 235 H GLN 30 HN GLN 30 2.090 -0.949 -5.696 236 HA GLN 30 HA GLN 30 3.273 1.123 -7.139 237 HB2 GLN 30 HB2 GLN 30 2.644 1.002 -4.213 238 HB3 GLN 30 HB1 GLN 30 2.825 2.458 -5.176 239 HG2 GLN 30 HG2 GLN 30 0.647 0.392 -5.421 240 HG3 GLN 30 HG1 GLN 30 0.509 2.038 -4.818 241 HE21 GLN 30 HE21 GLN 30 0.884 0.037 -7.620 242 HE22 GLN 30 HE22 GLN 30 0.509 1.253 -8.794 243 H ALA 31 HN ALA 31 4.327 -0.608 -4.272 244 HA ALA 31 HA ALA 31 6.719 0.816 -3.800 245 HB1 ALA 31 HB1 ALA 31 7.321 -1.067 -2.401 246 HB2 ALA 31 HB2 ALA 31 6.096 -2.074 -3.186 247 HB3 ALA 31 HB3 ALA 31 5.606 -0.701 -2.185 248 H ALA 32 HN ALA 32 5.814 -1.736 -5.894 249 HA ALA 32 HA ALA 32 8.398 -2.594 -6.659 250 HB1 ALA 32 HB1 ALA 32 5.577 -2.914 -7.647 251 HB2 ALA 32 HB2 ALA 32 6.745 -4.143 -7.110 252 HB3 ALA 32 HB3 ALA 32 6.920 -3.397 -8.698 253 H SER 33 HN SER 33 6.017 -0.338 -7.960 254 HA SER 33 HA SER 33 7.407 0.403 -10.283 255 HB2 SER 33 HB2 SER 33 5.414 1.860 -8.545 256 HB3 SER 33 HB1 SER 33 5.946 2.453 -10.124 257 HG SER 33 HG SER 33 5.086 0.581 -11.058 258 H VAL 34 HN VAL 34 7.515 1.555 -6.974 259 HA VAL 34 HA VAL 34 9.176 3.789 -7.311 260 HB VAL 34 HB VAL 34 9.185 1.955 -4.930 261 HG11 VAL 34 HG11 VAL 34 10.851 3.676 -4.825 262 HG12 VAL 34 HG12 VAL 34 9.552 4.091 -3.704 263 HG13 VAL 34 HG13 VAL 34 9.670 4.909 -5.261 264 HG21 VAL 34 HG21 VAL 34 6.909 2.386 -5.514 265 HG22 VAL 34 HG22 VAL 34 7.218 4.124 -5.564 266 HG23 VAL 34 HG23 VAL 34 7.343 3.243 -4.041 267 H LEU 35 HN LEU 35 9.839 0.554 -6.142 268 HA LEU 35 HA LEU 35 12.548 0.957 -5.733 269 HB2 LEU 35 HB2 LEU 35 10.581 -1.138 -5.584 270 HB3 LEU 35 HB1 LEU 35 12.183 -1.753 -5.957 271 HG LEU 35 HG LEU 35 12.965 -1.301 -3.859 272 HD11 LEU 35 HD11 LEU 35 12.792 1.110 -3.919 273 HD12 LEU 35 HD12 LEU 35 12.104 0.529 -2.404 274 HD13 LEU 35 HD13 LEU 35 11.041 1.027 -3.725 275 HD21 LEU 35 HD21 LEU 35 9.998 -1.540 -3.711 276 HD22 LEU 35 HD22 LEU 35 10.974 -1.428 -2.242 277 HD23 LEU 35 HD23 LEU 35 11.236 -2.755 -3.373 278 H GLY 36 HN GLY 36 10.851 -0.226 -8.572 279 HA2 GLY 36 HA2 GLY 36 12.325 0.237 -10.618 280 HA3 GLY 36 HA1 GLY 36 13.470 -0.794 -9.774 281 H TYR 37 HN TYR 37 10.279 -1.714 -9.315 282 HA TYR 37 HA TYR 37 10.902 -4.179 -10.763 283 HB2 TYR 37 HB2 TYR 37 8.764 -3.692 -8.694 284 HB3 TYR 37 HB1 TYR 37 9.380 -5.242 -9.238 285 HD1 TYR 37 HD1 TYR 37 9.141 -4.289 -6.407 286 HD2 TYR 37 HD2 TYR 37 12.366 -4.103 -9.155 287 HE1 TYR 37 HE1 TYR 37 10.710 -4.297 -4.545 288 HE2 TYR 37 HE2 TYR 37 13.967 -4.085 -7.301 289 HH TYR 37 HH TYR 37 14.002 -3.525 -4.890 290 H ALA 38 HN ALA 38 8.947 -5.368 -11.605 291 HA ALA 38 HA ALA 38 6.991 -3.503 -12.772 292 HB1 ALA 38 HB1 ALA 38 7.194 -4.576 -14.927 293 HB2 ALA 38 HB2 ALA 38 8.381 -5.710 -14.283 294 HB3 ALA 38 HB3 ALA 38 8.776 -3.994 -14.409 295 H SER 39 HN SER 39 7.528 -6.276 -11.008 296 HA SER 39 HA SER 39 4.758 -7.055 -11.222 297 HB2 SER 39 HB2 SER 39 5.837 -8.310 -13.077 298 HB3 SER 39 HB1 SER 39 6.943 -9.038 -11.916 299 HG SER 39 HG SER 39 5.138 -9.993 -10.898 300 H THR 40 HN THR 40 6.534 -5.937 -9.264 301 HA THR 40 HA THR 40 7.201 -6.092 -7.108 302 HB THR 40 HB THR 40 5.704 -7.303 -5.572 303 HG1 THR 40 HG1 THR 40 5.171 -8.775 -7.762 304 HG21 THR 40 HG21 THR 40 3.591 -6.143 -6.274 305 HG22 THR 40 HG22 THR 40 4.407 -5.720 -7.783 306 HG23 THR 40 HG23 THR 40 5.025 -5.115 -6.243 307 H GLU 41 HN GLU 41 8.634 -7.686 -8.889 308 HA GLU 41 HA GLU 41 8.849 -10.381 -8.203 309 HB2 GLU 41 HB2 GLU 41 11.083 -10.210 -9.410 310 HB3 GLU 41 HB1 GLU 41 9.646 -9.749 -10.307 311 HG2 GLU 41 HG2 GLU 41 11.114 -7.602 -8.899 312 HG3 GLU 41 HG1 GLU 41 11.858 -8.304 -10.334 313 H SER 42 HN SER 42 10.524 -7.585 -6.842 314 HA SER 42 HA SER 42 12.045 -9.460 -5.167 315 HB2 SER 42 HB2 SER 42 12.824 -6.612 -5.796 316 HB3 SER 42 HB1 SER 42 13.821 -7.853 -5.036 317 HG SER 42 HG SER 42 13.332 -9.020 -7.160 318 H LEU 43 HN LEU 43 9.375 -8.507 -4.610 319 HA LEU 43 HA LEU 43 9.882 -6.875 -2.229 320 HB2 LEU 43 HB2 LEU 43 7.429 -7.337 -3.878 321 HB3 LEU 43 HB1 LEU 43 7.401 -6.498 -2.336 322 HG LEU 43 HG LEU 43 9.070 -5.623 -4.680 323 HD11 LEU 43 HD11 LEU 43 6.393 -4.639 -3.748 324 HD12 LEU 43 HD12 LEU 43 6.719 -5.534 -5.231 325 HD13 LEU 43 HD13 LEU 43 7.381 -3.913 -5.016 326 HD21 LEU 43 HD21 LEU 43 9.900 -4.869 -2.547 327 HD22 LEU 43 HD22 LEU 43 8.290 -4.311 -2.089 328 HD23 LEU 43 HD23 LEU 43 9.156 -3.520 -3.406 329 H ASP 44 HN ASP 44 8.437 -7.228 -0.422 330 HA ASP 44 HA ASP 44 7.401 -9.941 -0.091 331 HB2 ASP 44 HB2 ASP 44 9.825 -9.486 0.952 332 HB3 ASP 44 HB1 ASP 44 8.868 -8.702 2.200 333 H THR 45 HN THR 45 5.571 -9.968 1.236 334 HA THR 45 HA THR 45 4.582 -7.332 2.020 335 HB THR 45 HB THR 45 2.446 -8.660 2.505 336 HG1 THR 45 HG1 THR 45 3.659 -10.560 0.763 337 HG21 THR 45 HG21 THR 45 1.855 -8.728 0.085 338 HG22 THR 45 HG22 THR 45 3.545 -8.371 -0.279 339 HG23 THR 45 HG23 THR 45 2.571 -7.211 0.623 340 H HIS 46 HN HIS 46 6.229 -9.901 3.315 341 HA HIS 46 HA HIS 46 5.090 -9.521 5.997 342 HB2 HIS 46 HB2 HIS 46 6.872 -11.683 4.864 343 HB3 HIS 46 HB1 HIS 46 6.456 -11.558 6.564 344 HD1 HIS 46 HD1 HIS 46 4.716 -13.175 7.146 345 HD2 HIS 46 HD2 HIS 46 4.198 -11.670 3.312 346 HE1 HIS 46 HE1 HIS 46 2.668 -14.313 6.249 347 HE2 HIS 46 HE2 HIS 46 2.261 -13.235 4.015 348 H GLU 47 HN GLU 47 7.489 -8.333 4.084 349 HA GLU 47 HA GLU 47 9.274 -7.876 6.372 350 HB2 GLU 47 HB2 GLU 47 11.086 -8.307 5.117 351 HB3 GLU 47 HB1 GLU 47 9.969 -9.106 4.025 352 HG2 GLU 47 HG2 GLU 47 9.765 -6.929 2.797 353 HG3 GLU 47 HG1 GLU 47 11.077 -6.322 3.812 354 H SER 48 HN SER 48 10.191 -5.737 6.495 355 HA SER 48 HA SER 48 8.043 -3.880 5.902 356 HB2 SER 48 HB2 SER 48 10.533 -3.270 7.484 357 HB3 SER 48 HB1 SER 48 8.946 -2.519 7.590 358 HG SER 48 HG SER 48 9.054 -5.252 8.074 359 H PHE 49 HN PHE 49 8.292 -1.920 4.900 360 HA PHE 49 HA PHE 49 9.678 -1.830 2.522 361 HB2 PHE 49 HB2 PHE 49 8.714 0.504 4.159 362 HB3 PHE 49 HB1 PHE 49 9.170 0.579 2.462 363 HD1 PHE 49 HD1 PHE 49 7.719 -0.271 0.757 364 HD2 PHE 49 HD2 PHE 49 6.715 -0.639 4.865 365 HE1 PHE 49 HE1 PHE 49 5.408 -0.842 0.136 366 HE2 PHE 49 HE2 PHE 49 4.411 -1.206 4.257 367 HZ PHE 49 HZ PHE 49 3.753 -1.307 1.899 368 H LYS 50 HN LYS 50 10.714 -0.733 5.650 369 HA LYS 50 HA LYS 50 13.042 0.558 5.218 370 HB2 LYS 50 HB2 LYS 50 12.128 -0.252 7.401 371 HB3 LYS 50 HB1 LYS 50 12.735 -1.844 7.018 372 HG2 LYS 50 HG2 LYS 50 14.664 0.391 6.961 373 HG3 LYS 50 HG1 LYS 50 14.088 -0.167 8.529 374 HD2 LYS 50 HD2 LYS 50 15.322 -1.930 6.414 375 HD3 LYS 50 HD1 LYS 50 16.205 -1.242 7.774 376 HE2 LYS 50 HE2 LYS 50 13.827 -3.078 8.019 377 HE3 LYS 50 HE1 LYS 50 15.506 -3.592 8.128 378 HZ1 LYS 50 HZ1 LYS 50 15.792 -2.198 10.060 379 HZ2 LYS 50 HZ2 LYS 50 14.504 -3.264 10.308 380 HZ3 LYS 50 HZ3 LYS 50 14.200 -1.641 9.945 381 H ASP 51 HN ASP 51 12.649 -2.934 5.173 382 HA ASP 51 HA ASP 51 15.277 -3.462 4.276 383 HB2 ASP 51 HB2 ASP 51 13.813 -5.090 5.503 384 HB3 ASP 51 HB1 ASP 51 12.894 -5.290 4.014 385 H LEU 52 HN LEU 52 12.284 -2.800 2.685 386 HA LEU 52 HA LEU 52 12.930 -3.759 0.096 387 HB2 LEU 52 HB2 LEU 52 10.889 -1.861 1.193 388 HB3 LEU 52 HB1 LEU 52 11.065 -2.058 -0.525 389 HG LEU 52 HG LEU 52 10.494 -4.441 -0.329 390 HD11 LEU 52 HD11 LEU 52 11.317 -4.939 1.853 391 HD12 LEU 52 HD12 LEU 52 9.578 -5.244 1.823 392 HD13 LEU 52 HD13 LEU 52 10.206 -3.782 2.583 393 HD21 LEU 52 HD21 LEU 52 8.547 -2.571 0.995 394 HD22 LEU 52 HD22 LEU 52 8.154 -4.184 0.397 395 HD23 LEU 52 HD23 LEU 52 8.675 -2.922 -0.730 396 H GLY 53 HN GLY 53 13.805 -1.030 1.912 397 HA2 GLY 53 HA2 GLY 53 15.727 0.184 1.275 398 HA3 GLY 53 HA1 GLY 53 15.289 -0.033 -0.405 399 H PHE 54 HN PHE 54 12.645 0.843 1.609 400 HA PHE 54 HA PHE 54 12.527 3.391 0.336 401 HB2 PHE 54 HB2 PHE 54 10.776 2.087 2.424 402 HB3 PHE 54 HB1 PHE 54 10.475 3.690 1.760 403 HD1 PHE 54 HD1 PHE 54 9.698 3.988 -0.479 404 HD2 PHE 54 HD2 PHE 54 10.606 0.123 1.024 405 HE1 PHE 54 HE1 PHE 54 8.509 2.987 -2.370 406 HE2 PHE 54 HE2 PHE 54 9.430 -0.901 -0.859 407 HZ PHE 54 HZ PHE 54 8.512 0.565 -2.685 408 H ASP 55 HN ASP 55 12.236 5.407 1.448 409 HA ASP 55 HA ASP 55 13.543 5.846 3.973 410 HB2 ASP 55 HB2 ASP 55 15.386 5.445 2.165 411 HB3 ASP 55 HB1 ASP 55 14.901 7.018 1.542 412 H SER 56 HN SER 56 14.167 8.572 3.581 413 HA SER 56 HA SER 56 11.526 9.712 3.357 414 HB2 SER 56 HB2 SER 56 14.194 11.101 3.721 415 HB3 SER 56 HB1 SER 56 12.601 11.798 4.019 416 HG SER 56 HG SER 56 12.557 9.682 5.454 417 H LEU 57 HN LEU 57 12.290 8.530 1.012 418 HA LEU 57 HA LEU 57 12.246 10.705 -0.911 419 HB2 LEU 57 HB2 LEU 57 14.013 8.290 -1.122 420 HB3 LEU 57 HB1 LEU 57 13.922 9.603 -2.277 421 HG LEU 57 HG LEU 57 14.864 9.931 0.561 422 HD11 LEU 57 HD11 LEU 57 16.488 9.495 -1.943 423 HD12 LEU 57 HD12 LEU 57 16.337 8.383 -0.582 424 HD13 LEU 57 HD13 LEU 57 17.139 9.938 -0.366 425 HD21 LEU 57 HD21 LEU 57 14.077 11.970 -0.490 426 HD22 LEU 57 HD22 LEU 57 15.117 11.680 -1.886 427 HD23 LEU 57 HD23 LEU 57 15.831 12.016 -0.307 428 H THR 58 HN THR 58 12.625 7.196 -0.942 429 HA THR 58 HA THR 58 10.847 6.806 -3.104 430 HB THR 58 HB THR 58 11.101 4.336 -2.280 431 HG1 THR 58 HG1 THR 58 13.431 4.738 -1.108 432 HG21 THR 58 HG21 THR 58 13.278 4.179 -3.350 433 HG22 THR 58 HG22 THR 58 13.515 5.917 -3.164 434 HG23 THR 58 HG23 THR 58 12.248 5.309 -4.229 435 H ALA 59 HN ALA 59 10.555 6.319 0.388 436 HA ALA 59 HA ALA 59 8.046 5.154 0.467 437 HB1 ALA 59 HB1 ALA 59 7.887 5.982 2.737 438 HB2 ALA 59 HB2 ALA 59 9.125 7.198 2.417 439 HB3 ALA 59 HB3 ALA 59 9.553 5.489 2.428 440 H LEU 60 HN LEU 60 9.049 8.442 0.000 441 HA LEU 60 HA LEU 60 6.555 9.684 0.396 442 HB2 LEU 60 HB2 LEU 60 9.056 10.503 -1.058 443 HB3 LEU 60 HB1 LEU 60 7.655 11.552 -0.938 444 HG LEU 60 HG LEU 60 9.381 12.118 0.729 445 HD11 LEU 60 HD11 LEU 60 7.033 12.574 1.210 446 HD12 LEU 60 HD12 LEU 60 7.943 12.189 2.671 447 HD13 LEU 60 HD13 LEU 60 6.883 10.981 1.950 448 HD21 LEU 60 HD21 LEU 60 10.320 9.910 1.118 449 HD22 LEU 60 HD22 LEU 60 8.802 9.384 1.848 450 HD23 LEU 60 HD23 LEU 60 9.771 10.633 2.632 451 H GLU 61 HN GLU 61 8.243 8.662 -2.581 452 HA GLU 61 HA GLU 61 6.024 9.410 -4.232 453 HB2 GLU 61 HB2 GLU 61 7.243 7.902 -5.941 454 HB3 GLU 61 HB1 GLU 61 8.042 9.383 -5.414 455 HG2 GLU 61 HG2 GLU 61 9.374 8.070 -3.828 456 HG3 GLU 61 HG1 GLU 61 8.587 6.605 -4.404 457 H LEU 62 HN LEU 62 6.994 6.476 -2.573 458 HA LEU 62 HA LEU 62 5.059 4.760 -3.741 459 HB2 LEU 62 HB2 LEU 62 6.824 3.821 -2.407 460 HB3 LEU 62 HB1 LEU 62 6.314 4.744 -1.009 461 HG LEU 62 HG LEU 62 4.209 3.495 -0.932 462 HD11 LEU 62 HD11 LEU 62 5.375 2.005 -3.260 463 HD12 LEU 62 HD12 LEU 62 3.924 3.005 -3.255 464 HD13 LEU 62 HD13 LEU 62 3.962 1.496 -2.340 465 HD21 LEU 62 HD21 LEU 62 6.583 1.668 -1.071 466 HD22 LEU 62 HD22 LEU 62 5.112 1.447 -0.120 467 HD23 LEU 62 HD23 LEU 62 6.233 2.754 0.271 468 H ARG 63 HN ARG 63 5.058 6.761 -0.847 469 HA ARG 63 HA ARG 63 2.497 6.240 0.106 470 HB2 ARG 63 HB2 ARG 63 3.926 7.512 1.479 471 HB3 ARG 63 HB1 ARG 63 4.366 8.601 0.171 472 HG2 ARG 63 HG2 ARG 63 1.832 9.251 0.254 473 HG3 ARG 63 HG1 ARG 63 1.944 8.610 1.895 474 HD2 ARG 63 HD2 ARG 63 2.348 11.016 1.843 475 HD3 ARG 63 HD1 ARG 63 3.770 10.132 2.382 476 HE ARG 63 HE ARG 63 4.456 10.404 -0.102 477 HH11 ARG 63 HH11 ARG 63 2.703 12.749 1.822 478 HH12 ARG 63 HH12 ARG 63 3.349 14.116 0.973 479 HH21 ARG 63 HH21 ARG 63 5.286 12.223 -1.245 480 HH22 ARG 63 HH22 ARG 63 4.798 13.819 -0.769 481 H ASP 64 HN ASP 64 3.778 8.602 -2.151 482 HA ASP 64 HA ASP 64 1.445 9.859 -2.928 483 HB2 ASP 64 HB2 ASP 64 3.819 10.504 -3.464 484 HB3 ASP 64 HB1 ASP 64 3.767 9.285 -4.728 485 H HIS 65 HN HIS 65 2.997 6.931 -4.138 486 HA HIS 65 HA HIS 65 1.269 6.406 -6.276 487 HB2 HIS 65 HB2 HIS 65 2.864 4.570 -4.530 488 HB3 HIS 65 HB1 HIS 65 1.965 4.018 -5.921 489 HD1 HIS 65 HD1 HIS 65 2.940 6.652 -7.659 490 HD2 HIS 65 HD2 HIS 65 5.221 3.848 -5.654 491 HE1 HIS 65 HE1 HIS 65 5.232 6.736 -8.718 492 HE2 HIS 65 HE2 HIS 65 6.604 5.086 -7.446 493 H LEU 66 HN LEU 66 1.078 5.462 -2.831 494 HA LEU 66 HA LEU 66 -1.104 3.701 -3.174 495 HB2 LEU 66 HB2 LEU 66 0.098 5.146 -0.865 496 HB3 LEU 66 HB1 LEU 66 -1.433 4.328 -0.654 497 HG LEU 66 HG LEU 66 -0.500 2.220 -0.838 498 HD11 LEU 66 HD11 LEU 66 1.873 3.445 -2.231 499 HD12 LEU 66 HD12 LEU 66 0.589 2.503 -2.987 500 HD13 LEU 66 HD13 LEU 66 1.682 1.737 -1.838 501 HD21 LEU 66 HD21 LEU 66 1.661 3.980 0.278 502 HD22 LEU 66 HD22 LEU 66 1.585 2.230 0.483 503 HD23 LEU 66 HD23 LEU 66 0.319 3.255 1.160 504 H GLN 67 HN GLN 67 -0.932 7.116 -2.354 505 HA GLN 67 HA GLN 67 -3.741 7.396 -1.865 506 HB2 GLN 67 HB2 GLN 67 -1.954 9.650 -2.707 507 HB3 GLN 67 HB1 GLN 67 -3.323 9.687 -1.605 508 HG2 GLN 67 HG2 GLN 67 -2.128 8.804 0.136 509 HG3 GLN 67 HG1 GLN 67 -0.972 8.032 -0.950 510 HE21 GLN 67 HE21 GLN 67 -0.431 10.314 -2.539 511 HE22 GLN 67 HE22 GLN 67 0.500 11.398 -1.583 512 H THR 68 HN THR 68 -1.633 7.731 -4.631 513 HA THR 68 HA THR 68 -3.561 8.806 -6.379 514 HB THR 68 HB THR 68 -0.855 7.612 -6.494 515 HG1 THR 68 HG1 THR 68 -1.037 9.819 -6.179 516 HG21 THR 68 HG21 THR 68 -1.903 6.506 -8.374 517 HG22 THR 68 HG22 THR 68 -0.786 7.743 -8.949 518 HG23 THR 68 HG23 THR 68 -2.525 8.046 -8.972 519 H ALA 69 HN ALA 69 -2.243 5.630 -5.812 520 HA ALA 69 HA ALA 69 -3.783 4.116 -7.537 521 HB1 ALA 69 HB1 ALA 69 -3.215 2.239 -6.043 522 HB2 ALA 69 HB2 ALA 69 -2.574 3.414 -4.890 523 HB3 ALA 69 HB3 ALA 69 -1.835 3.247 -6.482 524 H THR 70 HN THR 70 -4.390 4.868 -4.108 525 HA THR 70 HA THR 70 -6.870 3.344 -4.226 526 HB THR 70 HB THR 70 -6.990 3.676 -1.813 527 HG1 THR 70 HG1 THR 70 -4.525 5.070 -1.903 528 HG21 THR 70 HG21 THR 70 -5.518 1.900 -2.714 529 HG22 THR 70 HG22 THR 70 -4.955 2.532 -1.167 530 HG23 THR 70 HG23 THR 70 -4.168 3.037 -2.662 531 H GLY 71 HN GLY 71 -5.740 6.605 -3.929 532 HA2 GLY 71 HA2 GLY 71 -6.940 8.573 -4.337 533 HA3 GLY 71 HA1 GLY 71 -8.438 7.644 -4.294 534 H LEU 72 HN LEU 72 -6.472 6.750 -1.807 535 HA LEU 72 HA LEU 72 -8.180 8.031 0.138 536 HB2 LEU 72 HB2 LEU 72 -5.995 5.964 0.362 537 HB3 LEU 72 HB1 LEU 72 -6.960 6.528 1.714 538 HG LEU 72 HG LEU 72 -8.080 5.151 -0.719 539 HD11 LEU 72 HD11 LEU 72 -8.485 3.289 0.930 540 HD12 LEU 72 HD12 LEU 72 -7.298 4.088 1.958 541 HD13 LEU 72 HD13 LEU 72 -6.833 3.512 0.362 542 HD21 LEU 72 HD21 LEU 72 -9.745 6.535 0.179 543 HD22 LEU 72 HD22 LEU 72 -9.267 6.174 1.833 544 HD23 LEU 72 HD23 LEU 72 -10.067 4.937 0.856 545 H ASN 73 HN ASN 73 -6.723 8.317 2.312 546 HA ASN 73 HA ASN 73 -4.861 10.472 1.579 547 HB2 ASN 73 HB2 ASN 73 -7.034 11.202 2.540 548 HB3 ASN 73 HB1 ASN 73 -6.652 10.303 4.004 549 HD21 ASN 73 HD21 ASN 73 -6.729 12.189 5.247 550 HD22 ASN 73 HD22 ASN 73 -5.458 13.363 5.202 551 H LEU 74 HN LEU 74 -2.929 9.381 1.785 552 HA LEU 74 HA LEU 74 -2.425 8.086 4.352 553 HB2 LEU 74 HB2 LEU 74 -0.983 7.806 1.724 554 HB3 LEU 74 HB1 LEU 74 -0.543 6.982 3.212 555 HG LEU 74 HG LEU 74 -3.048 6.138 3.080 556 HD11 LEU 74 HD11 LEU 74 -2.386 6.481 0.156 557 HD12 LEU 74 HD12 LEU 74 -3.546 7.476 1.039 558 HD13 LEU 74 HD13 LEU 74 -3.839 5.746 0.852 559 HD21 LEU 74 HD21 LEU 74 -0.659 5.088 1.618 560 HD22 LEU 74 HD22 LEU 74 -2.175 4.201 1.723 561 HD23 LEU 74 HD23 LEU 74 -1.293 4.606 3.194 562 H SER 75 HN SER 75 0.533 8.249 4.160 563 HA SER 75 HA SER 75 0.809 11.086 4.807 564 HB2 SER 75 HB2 SER 75 -0.164 10.077 6.828 565 HB3 SER 75 HB1 SER 75 1.169 8.927 6.895 566 HG SER 75 HG SER 75 1.254 10.983 8.204 567 H SER 76 HN SER 76 3.062 11.593 5.642 568 HA SER 76 HA SER 76 4.898 10.937 3.672 569 HB2 SER 76 HB2 SER 76 6.591 11.931 5.318 570 HB3 SER 76 HB1 SER 76 5.230 12.951 4.849 571 HG SER 76 HG SER 76 4.591 12.972 6.845 572 H THR 77 HN THR 77 4.697 9.622 6.960 573 HA THR 77 HA THR 77 6.855 7.732 6.300 574 HB THR 77 HB THR 77 6.921 7.393 8.827 575 HG1 THR 77 HG1 THR 77 5.201 8.326 9.715 576 HG21 THR 77 HG21 THR 77 7.577 10.116 7.710 577 HG22 THR 77 HG22 THR 77 8.600 8.684 7.616 578 HG23 THR 77 HG23 THR 77 8.258 9.422 9.181 579 H LEU 78 HN LEU 78 4.272 7.498 5.394 580 HA LEU 78 HA LEU 78 2.398 6.029 6.730 581 HB2 LEU 78 HB2 LEU 78 2.242 7.066 4.502 582 HB3 LEU 78 HB1 LEU 78 3.284 5.821 3.872 583 HG LEU 78 HG LEU 78 0.668 5.772 3.588 584 HD11 LEU 78 HD11 LEU 78 2.069 4.251 2.477 585 HD12 LEU 78 HD12 LEU 78 0.851 3.305 3.347 586 HD13 LEU 78 HD13 LEU 78 2.487 3.432 3.993 587 HD21 LEU 78 HD21 LEU 78 1.180 4.645 6.300 588 HD22 LEU 78 HD22 LEU 78 -0.114 3.990 5.290 589 HD23 LEU 78 HD23 LEU 78 -0.125 5.697 5.736 590 H ILE 79 HN ILE 79 4.881 4.653 4.601 591 HA ILE 79 HA ILE 79 4.366 1.952 5.445 592 HB ILE 79 HB ILE 79 6.168 1.362 3.955 593 HG12 ILE 79 HG12 ILE 79 6.780 4.304 4.008 594 HG13 ILE 79 HG11 ILE 79 7.853 2.964 4.396 595 HG21 ILE 79 HG21 ILE 79 5.406 2.437 1.890 596 HG22 ILE 79 HG22 ILE 79 4.484 3.601 2.851 597 HG23 ILE 79 HG23 ILE 79 4.067 1.883 2.896 598 HD11 ILE 79 HD11 ILE 79 8.517 3.758 2.297 599 HD12 ILE 79 HD12 ILE 79 6.852 3.849 1.724 600 HD13 ILE 79 HD13 ILE 79 7.615 2.273 1.979 601 H PHE 80 HN PHE 80 5.757 4.254 7.172 602 HA PHE 80 HA PHE 80 7.611 2.357 8.427 603 HB2 PHE 80 HB2 PHE 80 7.758 5.377 8.375 604 HB3 PHE 80 HB1 PHE 80 8.837 4.334 9.296 605 HD1 PHE 80 HD1 PHE 80 9.059 6.342 6.709 606 HD2 PHE 80 HD2 PHE 80 9.371 2.158 7.428 607 HE1 PHE 80 HE1 PHE 80 10.477 6.104 4.715 608 HE2 PHE 80 HE2 PHE 80 10.789 1.904 5.436 609 HZ PHE 80 HZ PHE 80 11.351 3.887 4.079 610 H ASP 81 HN ASP 81 4.780 4.074 8.558 611 HA ASP 81 HA ASP 81 4.416 3.896 11.416 612 HB2 ASP 81 HB2 ASP 81 3.257 5.551 9.721 613 HB3 ASP 81 HB1 ASP 81 2.215 4.176 9.433 614 H HIS 82 HN HIS 82 3.574 2.349 8.447 615 HA HIS 82 HA HIS 82 2.645 -0.045 9.849 616 HB2 HIS 82 HB2 HIS 82 1.812 0.872 7.088 617 HB3 HIS 82 HB1 HIS 82 1.095 -0.412 8.050 618 HD1 HIS 82 HD1 HIS 82 -0.446 0.307 10.035 619 HD2 HIS 82 HD2 HIS 82 1.015 3.450 7.730 620 HE1 HIS 82 HE1 HIS 82 -1.716 2.338 10.788 621 HE2 HIS 82 HE2 HIS 82 -0.625 4.258 9.566 622 HA PRO 83 HA PRO 83 6.624 -1.023 8.439 623 HB2 PRO 83 HB2 PRO 83 6.606 -3.702 9.059 624 HB3 PRO 83 HB1 PRO 83 6.841 -2.408 10.239 625 HG2 PRO 83 HG2 PRO 83 4.339 -3.915 9.552 626 HG3 PRO 83 HG1 PRO 83 4.971 -3.452 11.148 627 HD2 PRO 83 HD2 PRO 83 3.005 -2.052 9.973 628 HD3 PRO 83 HD1 PRO 83 4.261 -1.252 10.925 629 H THR 84 HN THR 84 4.055 -3.248 7.361 630 HA THR 84 HA THR 84 5.743 -3.848 5.046 631 HB THR 84 HB THR 84 4.700 -6.055 4.990 632 HG1 THR 84 HG1 THR 84 3.573 -6.449 7.227 633 HG21 THR 84 HG21 THR 84 5.855 -5.364 7.698 634 HG22 THR 84 HG22 THR 84 6.780 -5.779 6.255 635 HG23 THR 84 HG23 THR 84 5.741 -6.987 7.015 636 HA PRO 85 HA PRO 85 2.462 -2.631 2.315 637 HB2 PRO 85 HB2 PRO 85 2.784 -5.258 0.985 638 HB3 PRO 85 HB1 PRO 85 2.921 -3.641 0.298 639 HG2 PRO 85 HG2 PRO 85 5.074 -5.184 0.727 640 HG3 PRO 85 HG1 PRO 85 5.127 -3.421 0.903 641 HD2 PRO 85 HD2 PRO 85 5.046 -5.528 2.996 642 HD3 PRO 85 HD1 PRO 85 5.851 -3.953 3.012 643 H HIS 86 HN HIS 86 2.575 -5.516 4.059 644 HA HIS 86 HA HIS 86 -0.156 -6.327 3.689 645 HB2 HIS 86 HB2 HIS 86 1.136 -8.089 4.413 646 HB3 HIS 86 HB1 HIS 86 2.136 -7.080 5.428 647 HD1 HIS 86 HD1 HIS 86 -0.678 -9.415 5.553 648 HD2 HIS 86 HD2 HIS 86 0.877 -6.392 7.953 649 HE1 HIS 86 HE1 HIS 86 -1.624 -9.825 7.847 650 HE2 HIS 86 HE2 HIS 86 -0.759 -7.923 9.255 651 H ALA 87 HN ALA 87 1.689 -4.566 6.113 652 HA ALA 87 HA ALA 87 -0.526 -4.056 7.846 653 HB1 ALA 87 HB1 ALA 87 2.148 -2.661 7.718 654 HB2 ALA 87 HB2 ALA 87 1.822 -4.137 8.634 655 HB3 ALA 87 HB3 ALA 87 1.013 -2.631 9.069 656 H VAL 88 HN VAL 88 0.792 -2.668 5.083 657 HA VAL 88 HA VAL 88 -0.347 -0.037 5.491 658 HB VAL 88 HB VAL 88 1.131 -1.304 3.206 659 HG11 VAL 88 HG11 VAL 88 1.215 0.969 2.227 660 HG12 VAL 88 HG12 VAL 88 0.044 1.484 3.442 661 HG13 VAL 88 HG13 VAL 88 -0.397 0.256 2.256 662 HG21 VAL 88 HG21 VAL 88 2.905 0.281 3.812 663 HG22 VAL 88 HG22 VAL 88 2.518 -0.830 5.127 664 HG23 VAL 88 HG23 VAL 88 1.927 0.836 5.170 665 H ALA 89 HN ALA 89 -0.857 -2.827 3.390 666 HA ALA 89 HA ALA 89 -2.988 -1.727 1.942 667 HB1 ALA 89 HB1 ALA 89 -2.376 -4.601 2.598 668 HB2 ALA 89 HB2 ALA 89 -1.929 -3.706 1.143 669 HB3 ALA 89 HB3 ALA 89 -3.621 -4.078 1.461 670 H GLU 90 HN GLU 90 -2.962 -3.527 5.048 671 HA GLU 90 HA GLU 90 -5.831 -3.492 5.204 672 HB2 GLU 90 HB2 GLU 90 -5.430 -4.129 7.602 673 HB3 GLU 90 HB1 GLU 90 -4.699 -5.204 6.417 674 HG2 GLU 90 HG2 GLU 90 -2.553 -4.166 6.755 675 HG3 GLU 90 HG1 GLU 90 -3.253 -3.028 7.900 676 H HIS 91 HN HIS 91 -3.251 -1.388 6.023 677 HA HIS 91 HA HIS 91 -4.655 0.435 7.627 678 HB2 HIS 91 HB2 HIS 91 -2.316 0.616 7.692 679 HB3 HIS 91 HB1 HIS 91 -2.181 0.640 5.933 680 HD1 HIS 91 HD1 HIS 91 -3.437 2.851 8.767 681 HD2 HIS 91 HD2 HIS 91 -2.099 3.086 4.842 682 HE1 HIS 91 HE1 HIS 91 -3.262 5.305 8.264 683 HE2 HIS 91 HE2 HIS 91 -2.647 5.426 5.832 684 H LEU 92 HN LEU 92 -4.559 -0.133 4.218 685 HA LEU 92 HA LEU 92 -5.738 2.359 3.450 686 HB2 LEU 92 HB2 LEU 92 -5.066 -0.217 2.109 687 HB3 LEU 92 HB1 LEU 92 -6.286 0.810 1.358 688 HG LEU 92 HG LEU 92 -4.772 2.536 0.944 689 HD11 LEU 92 HD11 LEU 92 -2.414 2.427 1.958 690 HD12 LEU 92 HD12 LEU 92 -3.122 1.316 3.129 691 HD13 LEU 92 HD13 LEU 92 -3.740 2.966 2.990 692 HD21 LEU 92 HD21 LEU 92 -2.856 1.530 -0.143 693 HD22 LEU 92 HD22 LEU 92 -4.313 0.582 -0.443 694 HD23 LEU 92 HD23 LEU 92 -3.127 0.029 0.740 695 H LEU 93 HN LEU 93 -6.891 -0.471 4.884 696 HA LEU 93 HA LEU 93 -9.624 -0.296 3.970 697 HB2 LEU 93 HB2 LEU 93 -8.303 -1.800 6.202 698 HB3 LEU 93 HB1 LEU 93 -10.039 -1.801 5.989 699 HG LEU 93 HG LEU 93 -9.919 -3.087 4.038 700 HD11 LEU 93 HD11 LEU 93 -8.219 -1.862 2.838 701 HD12 LEU 93 HD12 LEU 93 -7.801 -3.577 2.867 702 HD13 LEU 93 HD13 LEU 93 -6.973 -2.445 3.944 703 HD21 LEU 93 HD21 LEU 93 -8.618 -5.013 4.685 704 HD22 LEU 93 HD22 LEU 93 -9.372 -4.294 6.107 705 HD23 LEU 93 HD23 LEU 93 -7.657 -4.025 5.786 706 H GLU 94 HN GLU 94 -7.646 0.804 6.524 707 HA GLU 94 HA GLU 94 -9.447 1.766 8.401 708 HB2 GLU 94 HB2 GLU 94 -6.773 2.798 7.465 709 HB3 GLU 94 HB1 GLU 94 -7.585 3.395 8.915 710 HG2 GLU 94 HG2 GLU 94 -6.642 0.579 8.420 711 HG3 GLU 94 HG1 GLU 94 -5.837 1.777 9.428 712 H GLN 95 HN GLN 95 -8.482 2.964 5.289 713 HA GLN 95 HA GLN 95 -9.590 5.606 5.698 714 HB2 GLN 95 HB2 GLN 95 -8.705 4.556 3.054 715 HB3 GLN 95 HB1 GLN 95 -8.485 6.155 3.742 716 HG2 GLN 95 HG2 GLN 95 -7.065 3.744 4.802 717 HG3 GLN 95 HG1 GLN 95 -6.415 4.728 3.500 718 HE21 GLN 95 HE21 GLN 95 -5.516 4.170 6.214 719 HE22 GLN 95 HE22 GLN 95 -5.266 5.715 6.947 720 H ILE 96 HN ILE 96 -10.588 2.554 4.546 721 HA ILE 96 HA ILE 96 -12.296 3.379 2.429 722 HB ILE 96 HB ILE 96 -12.031 0.767 3.880 723 HG12 ILE 96 HG12 ILE 96 -10.005 1.709 2.828 724 HG13 ILE 96 HG11 ILE 96 -10.503 0.186 2.137 725 HG21 ILE 96 HG21 ILE 96 -14.156 1.025 2.578 726 HG22 ILE 96 HG22 ILE 96 -13.115 -0.307 2.079 727 HG23 ILE 96 HG23 ILE 96 -13.154 1.181 1.134 728 HD11 ILE 96 HD11 ILE 96 -11.077 2.893 0.950 729 HD12 ILE 96 HD12 ILE 96 -11.427 1.327 0.215 730 HD13 ILE 96 HD13 ILE 96 -9.752 1.834 0.458 731 HA PRO 97 HA PRO 97 -15.774 4.621 4.658 732 HB2 PRO 97 HB2 PRO 97 -17.583 4.638 2.696 733 HB3 PRO 97 HB1 PRO 97 -16.175 5.709 2.665 734 HG2 PRO 97 HG2 PRO 97 -16.536 3.056 1.319 735 HG3 PRO 97 HG1 PRO 97 -15.982 4.579 0.614 736 HD2 PRO 97 HD2 PRO 97 -14.270 2.670 1.401 737 HD3 PRO 97 HD1 PRO 97 -13.892 4.385 1.553 738 H GLY 98 HN GLY 98 -15.926 2.632 6.033 739 HA2 GLY 98 HA2 GLY 98 -17.533 1.382 7.144 740 HA3 GLY 98 HA1 GLY 98 -18.632 1.665 5.807 741 H ILE 99 HN ILE 99 -17.577 0.562 3.700 742 HA ILE 99 HA ILE 99 -17.938 -2.186 3.911 743 HB ILE 99 HB ILE 99 -16.463 -2.120 1.698 744 HG12 ILE 99 HG12 ILE 99 -17.489 0.670 1.588 745 HG13 ILE 99 HG11 ILE 99 -16.001 0.390 2.482 746 HG21 ILE 99 HG21 ILE 99 -18.496 -1.549 0.452 747 HG22 ILE 99 HG22 ILE 99 -19.222 -0.926 1.933 748 HG23 ILE 99 HG23 ILE 99 -18.837 -2.642 1.793 749 HD11 ILE 99 HD11 ILE 99 -16.504 -0.244 -0.412 750 HD12 ILE 99 HD12 ILE 99 -15.029 -0.639 0.479 751 HD13 ILE 99 HD13 ILE 99 -15.492 1.049 0.246 752 H GLY 100 HN GLY 100 -15.064 -0.275 4.350 753 HA2 GLY 100 HA2 GLY 100 -13.500 -2.746 4.686 754 HA3 GLY 100 HA1 GLY 100 -12.823 -1.222 4.117 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 -8.604 13.817 -8.724 2 H2 GLY 1 HT2 GLY 1 -7.271 14.068 -7.714 3 H3 GLY 1 HT3 GLY 1 -7.675 15.220 -8.885 4 HA2 GLY 1 HA1 GLY 1 -8.342 15.933 -6.666 5 HA3 GLY 1 HA2 GLY 1 -9.704 15.758 -7.760 6 H SER 2 HN SER 2 -11.198 15.424 -6.134 7 HA SER 2 HA SER 2 -10.964 13.515 -4.077 8 HB2 SER 2 HB2 SER 2 -13.524 14.479 -5.371 9 HB3 SER 2 HB1 SER 2 -13.315 13.888 -3.723 10 HG SER 2 HG SER 2 -11.908 15.723 -3.389 11 H THR 3 HN THR 3 -10.594 11.411 -4.501 12 HA THR 3 HA THR 3 -12.102 10.193 -6.709 13 HB THR 3 HB THR 3 -9.349 9.394 -5.746 14 HG1 THR 3 HG1 THR 3 -8.784 11.030 -6.971 15 HG21 THR 3 HG21 THR 3 -10.581 7.512 -6.673 16 HG22 THR 3 HG22 THR 3 -9.312 8.017 -7.793 17 HG23 THR 3 HG23 THR 3 -10.990 8.461 -8.105 18 H ALA 4 HN ALA 4 -10.097 8.292 -4.606 19 HA ALA 4 HA ALA 4 -10.489 6.577 -3.207 20 HB1 ALA 4 HB1 ALA 4 -11.542 8.319 -1.805 21 HB2 ALA 4 HB2 ALA 4 -12.261 6.724 -1.582 22 HB3 ALA 4 HB3 ALA 4 -13.097 7.941 -2.548 23 H THR 5 HN THR 5 -13.640 7.317 -4.729 24 HA THR 5 HA THR 5 -14.796 4.870 -4.900 25 HB THR 5 HB THR 5 -14.756 6.817 -7.199 26 HG1 THR 5 HG1 THR 5 -16.106 6.863 -4.696 27 HG21 THR 5 HG21 THR 5 -16.850 4.875 -6.216 28 HG22 THR 5 HG22 THR 5 -15.897 4.722 -7.691 29 HG23 THR 5 HG23 THR 5 -17.068 6.031 -7.528 30 H LEU 6 HN LEU 6 -12.075 5.937 -6.738 31 HA LEU 6 HA LEU 6 -11.939 4.100 -8.783 32 HB2 LEU 6 HB2 LEU 6 -10.367 5.852 -8.722 33 HB3 LEU 6 HB1 LEU 6 -9.879 5.454 -7.086 34 HG LEU 6 HG LEU 6 -8.744 3.440 -7.901 35 HD11 LEU 6 HD11 LEU 6 -10.138 2.976 -9.844 36 HD12 LEU 6 HD12 LEU 6 -8.441 3.102 -10.310 37 HD13 LEU 6 HD13 LEU 6 -9.547 4.436 -10.636 38 HD21 LEU 6 HD21 LEU 6 -7.567 5.593 -7.704 39 HD22 LEU 6 HD22 LEU 6 -7.943 5.937 -9.394 40 HD23 LEU 6 HD23 LEU 6 -6.900 4.576 -8.983 41 H LEU 7 HN LEU 7 -10.307 3.810 -5.638 42 HA LEU 7 HA LEU 7 -9.951 0.974 -6.057 43 HB2 LEU 7 HB2 LEU 7 -8.645 2.975 -4.584 44 HB3 LEU 7 HB1 LEU 7 -9.320 1.867 -3.402 45 HG LEU 7 HG LEU 7 -6.996 1.292 -4.049 46 HD11 LEU 7 HD11 LEU 7 -8.634 -0.333 -3.175 47 HD12 LEU 7 HD12 LEU 7 -7.437 -1.072 -4.242 48 HD13 LEU 7 HD13 LEU 7 -9.073 -0.749 -4.831 49 HD21 LEU 7 HD21 LEU 7 -7.276 1.980 -6.453 50 HD22 LEU 7 HD22 LEU 7 -8.200 0.497 -6.695 51 HD23 LEU 7 HD23 LEU 7 -6.507 0.410 -6.209 52 H THR 8 HN THR 8 -11.930 3.120 -4.207 53 HA THR 8 HA THR 8 -12.877 1.412 -2.221 54 HB THR 8 HB THR 8 -14.108 3.767 -3.590 55 HG1 THR 8 HG1 THR 8 -12.243 3.967 -2.152 56 HG21 THR 8 HG21 THR 8 -15.789 3.859 -1.804 57 HG22 THR 8 HG22 THR 8 -15.191 2.328 -1.168 58 HG23 THR 8 HG23 THR 8 -15.953 2.384 -2.757 59 H SER 9 HN SER 9 -13.899 1.780 -5.565 60 HA SER 9 HA SER 9 -16.202 0.122 -5.356 61 HB2 SER 9 HB2 SER 9 -14.559 1.153 -7.656 62 HB3 SER 9 HB1 SER 9 -15.907 0.038 -7.917 63 HG SER 9 HG SER 9 -16.311 2.428 -7.971 64 H LYS 10 HN LYS 10 -12.829 -0.497 -5.591 65 HA LYS 10 HA LYS 10 -13.012 -3.216 -6.447 66 HB2 LYS 10 HB2 LYS 10 -10.919 -1.638 -6.381 67 HB3 LYS 10 HB1 LYS 10 -10.825 -2.105 -4.686 68 HG2 LYS 10 HG2 LYS 10 -9.934 -3.521 -7.053 69 HG3 LYS 10 HG1 LYS 10 -9.524 -3.773 -5.364 70 HD2 LYS 10 HD2 LYS 10 -10.512 -5.770 -5.832 71 HD3 LYS 10 HD1 LYS 10 -11.922 -4.852 -5.303 72 HE2 LYS 10 HE2 LYS 10 -12.527 -6.015 -7.269 73 HE3 LYS 10 HE1 LYS 10 -12.366 -4.321 -7.706 74 HZ1 LYS 10 HZ1 LYS 10 -10.336 -6.429 -8.199 75 HZ2 LYS 10 HZ2 LYS 10 -10.164 -4.795 -8.590 76 HZ3 LYS 10 HZ3 LYS 10 -11.341 -5.727 -9.363 77 H LEU 11 HN LEU 11 -12.417 -1.666 -3.317 78 HA LEU 11 HA LEU 11 -12.467 -4.013 -1.789 79 HB2 LEU 11 HB2 LEU 11 -13.181 -1.228 -0.889 80 HB3 LEU 11 HB1 LEU 11 -12.823 -2.571 0.166 81 HG LEU 11 HG LEU 11 -10.806 -1.512 0.203 82 HD11 LEU 11 HD11 LEU 11 -10.516 -3.095 -2.338 83 HD12 LEU 11 HD12 LEU 11 -10.536 -3.795 -0.714 84 HD13 LEU 11 HD13 LEU 11 -9.241 -2.687 -1.184 85 HD21 LEU 11 HD21 LEU 11 -10.946 -0.810 -2.716 86 HD22 LEU 11 HD22 LEU 11 -9.895 -0.129 -1.468 87 HD23 LEU 11 HD23 LEU 11 -11.623 0.226 -1.455 88 H ALA 12 HN ALA 12 -15.013 -2.005 -2.980 89 HA ALA 12 HA ALA 12 -17.187 -2.765 -1.469 90 HB1 ALA 12 HB1 ALA 12 -17.052 -2.386 -4.463 91 HB2 ALA 12 HB2 ALA 12 -17.270 -1.105 -3.265 92 HB3 ALA 12 HB3 ALA 12 -18.521 -2.330 -3.483 93 H GLY 13 HN GLY 13 -15.509 -4.528 -3.998 94 HA2 GLY 13 HA2 GLY 13 -17.481 -6.634 -4.120 95 HA3 GLY 13 HA1 GLY 13 -15.954 -6.565 -4.989 96 H LEU 14 HN LEU 14 -14.788 -5.966 -2.142 97 HA LEU 14 HA LEU 14 -14.230 -8.790 -1.642 98 HB2 LEU 14 HB2 LEU 14 -12.806 -6.288 -0.868 99 HB3 LEU 14 HB1 LEU 14 -12.363 -7.836 -0.254 100 HG LEU 14 HG LEU 14 -10.885 -7.792 -1.913 101 HD11 LEU 14 HD11 LEU 14 -11.636 -8.856 -3.949 102 HD12 LEU 14 HD12 LEU 14 -13.309 -8.459 -3.557 103 HD13 LEU 14 HD13 LEU 14 -12.409 -9.586 -2.537 104 HD21 LEU 14 HD21 LEU 14 -12.729 -5.915 -3.342 105 HD22 LEU 14 HD22 LEU 14 -11.142 -6.409 -3.927 106 HD23 LEU 14 HD23 LEU 14 -11.284 -5.506 -2.417 107 H THR 15 HN THR 15 -13.719 -9.337 0.554 108 HA THR 15 HA THR 15 -15.350 -7.978 2.568 109 HB THR 15 HB THR 15 -14.953 -9.916 3.951 110 HG1 THR 15 HG1 THR 15 -13.549 -11.638 2.823 111 HG21 THR 15 HG21 THR 15 -16.642 -10.264 2.237 112 HG22 THR 15 HG22 THR 15 -15.745 -11.764 2.487 113 HG23 THR 15 HG23 THR 15 -15.401 -10.750 1.080 114 H ALA 16 HN ALA 16 -14.072 -7.599 4.694 115 HA ALA 16 HA ALA 16 -12.047 -5.800 4.274 116 HB1 ALA 16 HB1 ALA 16 -12.376 -7.567 6.700 117 HB2 ALA 16 HB2 ALA 16 -13.217 -6.045 6.406 118 HB3 ALA 16 HB3 ALA 16 -11.469 -6.057 6.637 119 H THR 17 HN THR 17 -11.731 -9.289 4.671 120 HA THR 17 HA THR 17 -8.915 -9.365 4.867 121 HB THR 17 HB THR 17 -10.762 -11.537 3.875 122 HG1 THR 17 HG1 THR 17 -10.480 -10.392 6.332 123 HG21 THR 17 HG21 THR 17 -9.010 -13.033 4.705 124 HG22 THR 17 HG22 THR 17 -8.028 -11.635 5.138 125 HG23 THR 17 HG23 THR 17 -8.404 -11.958 3.447 126 H GLU 18 HN GLU 18 -11.114 -9.821 2.092 127 HA GLU 18 HA GLU 18 -9.014 -10.254 0.255 128 HB2 GLU 18 HB2 GLU 18 -11.891 -9.498 -0.157 129 HB3 GLU 18 HB1 GLU 18 -10.797 -10.036 -1.408 130 HG2 GLU 18 HG2 GLU 18 -10.589 -12.189 -0.294 131 HG3 GLU 18 HG1 GLU 18 -11.678 -11.627 0.972 132 H GLN 19 HN GLN 19 -10.712 -7.473 1.463 133 HA GLN 19 HA GLN 19 -9.771 -5.564 -0.375 134 HB2 GLN 19 HB2 GLN 19 -10.388 -5.267 2.563 135 HB3 GLN 19 HB1 GLN 19 -10.231 -3.944 1.422 136 HG2 GLN 19 HG2 GLN 19 -12.122 -4.724 0.195 137 HG3 GLN 19 HG1 GLN 19 -12.246 -6.143 1.212 138 HE21 GLN 19 HE21 GLN 19 -14.270 -4.264 0.699 139 HE22 GLN 19 HE22 GLN 19 -14.687 -3.522 2.207 140 H ARG 20 HN ARG 20 -8.412 -6.906 2.585 141 HA ARG 20 HA ARG 20 -5.967 -5.519 2.603 142 HB2 ARG 20 HB2 ARG 20 -6.043 -8.473 3.146 143 HB3 ARG 20 HB1 ARG 20 -5.092 -7.230 3.946 144 HG2 ARG 20 HG2 ARG 20 -7.084 -6.406 5.038 145 HG3 ARG 20 HG1 ARG 20 -8.063 -7.624 4.209 146 HD2 ARG 20 HD2 ARG 20 -7.580 -8.357 6.459 147 HD3 ARG 20 HD1 ARG 20 -6.725 -9.373 5.306 148 HE ARG 20 HE ARG 20 -5.068 -7.252 6.197 149 HH11 ARG 20 HH11 ARG 20 -6.371 -10.350 7.166 150 HH12 ARG 20 HH12 ARG 20 -5.106 -10.670 8.305 151 HH21 ARG 20 HH21 ARG 20 -3.396 -7.664 7.723 152 HH22 ARG 20 HH22 ARG 20 -3.431 -9.154 8.623 153 H ALA 21 HN ALA 21 -6.951 -8.493 1.020 154 HA ALA 21 HA ALA 21 -4.489 -9.257 -0.032 155 HB1 ALA 21 HB1 ALA 21 -5.732 -10.756 -1.469 156 HB2 ALA 21 HB2 ALA 21 -7.213 -9.847 -1.166 157 HB3 ALA 21 HB3 ALA 21 -6.438 -10.732 0.147 158 H VAL 22 HN VAL 22 -6.972 -7.211 -1.461 159 HA VAL 22 HA VAL 22 -5.855 -7.285 -4.066 160 HB VAL 22 HB VAL 22 -7.367 -5.309 -4.520 161 HG11 VAL 22 HG11 VAL 22 -8.786 -7.623 -3.208 162 HG12 VAL 22 HG12 VAL 22 -7.985 -7.744 -4.777 163 HG13 VAL 22 HG13 VAL 22 -9.340 -6.630 -4.567 164 HG21 VAL 22 HG21 VAL 22 -8.154 -5.800 -1.644 165 HG22 VAL 22 HG22 VAL 22 -9.067 -4.813 -2.789 166 HG23 VAL 22 HG23 VAL 22 -7.441 -4.328 -2.310 167 H THR 23 HN THR 23 -5.632 -4.791 -1.481 168 HA THR 23 HA THR 23 -3.654 -3.510 -3.179 169 HB THR 23 HB THR 23 -5.090 -1.961 -2.281 170 HG1 THR 23 HG1 THR 23 -3.138 -1.260 -0.555 171 HG21 THR 23 HG21 THR 23 -5.503 -1.556 0.052 172 HG22 THR 23 HG22 THR 23 -4.351 -2.814 0.488 173 HG23 THR 23 HG23 THR 23 -5.862 -3.248 -0.308 174 H ARG 24 HN ARG 24 -3.646 -5.778 -0.642 175 HA ARG 24 HA ARG 24 -0.964 -5.368 0.193 176 HB2 ARG 24 HB2 ARG 24 -2.436 -7.032 1.261 177 HB3 ARG 24 HB1 ARG 24 -2.477 -7.957 -0.226 178 HG2 ARG 24 HG2 ARG 24 0.169 -7.869 0.168 179 HG3 ARG 24 HG1 ARG 24 -0.387 -7.780 1.840 180 HD2 ARG 24 HD2 ARG 24 -1.757 -9.785 1.460 181 HD3 ARG 24 HD1 ARG 24 -1.137 -9.875 -0.185 182 HE ARG 24 HE ARG 24 1.007 -9.851 1.638 183 HH11 ARG 24 HH11 ARG 24 -1.587 -11.942 0.567 184 HH12 ARG 24 HH12 ARG 24 -0.704 -13.402 0.885 185 HH21 ARG 24 HH21 ARG 24 2.166 -11.758 2.046 186 HH22 ARG 24 HH22 ARG 24 1.427 -13.299 1.724 187 H LYS 25 HN LYS 25 -2.442 -6.103 -2.708 188 HA LYS 25 HA LYS 25 0.014 -6.928 -3.999 189 HB2 LYS 25 HB2 LYS 25 -1.633 -8.286 -4.800 190 HB3 LYS 25 HB1 LYS 25 -2.896 -7.114 -4.518 191 HG2 LYS 25 HG2 LYS 25 -2.650 -7.620 -6.874 192 HG3 LYS 25 HG1 LYS 25 -2.304 -5.932 -6.518 193 HD2 LYS 25 HD2 LYS 25 0.100 -6.394 -6.647 194 HD3 LYS 25 HD1 LYS 25 -0.240 -8.100 -6.955 195 HE2 LYS 25 HE2 LYS 25 -1.302 -7.569 -9.040 196 HE3 LYS 25 HE1 LYS 25 -1.197 -5.843 -8.709 197 HZ1 LYS 25 HZ1 LYS 25 1.116 -5.864 -9.015 198 HZ2 LYS 25 HZ2 LYS 25 0.500 -6.802 -10.280 199 HZ3 LYS 25 HZ3 LYS 25 1.207 -7.554 -8.943 200 H LEU 26 HN LEU 26 -2.387 -4.266 -3.822 201 HA LEU 26 HA LEU 26 -1.244 -2.764 -5.924 202 HB2 LEU 26 HB2 LEU 26 -3.531 -2.426 -5.298 203 HB3 LEU 26 HB1 LEU 26 -3.063 -1.974 -3.675 204 HG LEU 26 HG LEU 26 -3.784 -0.136 -5.307 205 HD11 LEU 26 HD11 LEU 26 -2.736 0.051 -3.047 206 HD12 LEU 26 HD12 LEU 26 -2.510 1.432 -4.128 207 HD13 LEU 26 HD13 LEU 26 -1.196 0.279 -3.879 208 HD21 LEU 26 HD21 LEU 26 -0.956 -0.520 -6.224 209 HD22 LEU 26 HD22 LEU 26 -2.002 0.843 -6.635 210 HD23 LEU 26 HD23 LEU 26 -2.408 -0.783 -7.188 211 H VAL 27 HN VAL 27 -0.973 -2.279 -2.350 212 HA VAL 27 HA VAL 27 0.844 -0.164 -2.508 213 HB VAL 27 HB VAL 27 -0.106 -0.652 -0.346 214 HG11 VAL 27 HG11 VAL 27 1.306 -3.295 -0.578 215 HG12 VAL 27 HG12 VAL 27 -0.425 -3.004 -0.434 216 HG13 VAL 27 HG13 VAL 27 0.642 -2.669 0.931 217 HG21 VAL 27 HG21 VAL 27 2.857 -1.240 -0.289 218 HG22 VAL 27 HG22 VAL 27 1.886 -0.654 1.064 219 HG23 VAL 27 HG23 VAL 27 2.129 0.368 -0.353 220 H LEU 28 HN LEU 28 1.237 -3.562 -2.614 221 HA LEU 28 HA LEU 28 4.006 -3.836 -2.632 222 HB2 LEU 28 HB2 LEU 28 1.933 -5.505 -2.602 223 HB3 LEU 28 HB1 LEU 28 2.266 -5.558 -4.317 224 HG LEU 28 HG LEU 28 4.439 -6.486 -3.943 225 HD11 LEU 28 HD11 LEU 28 3.853 -5.974 -1.043 226 HD12 LEU 28 HD12 LEU 28 5.113 -5.232 -2.030 227 HD13 LEU 28 HD13 LEU 28 5.203 -6.949 -1.634 228 HD21 LEU 28 HD21 LEU 28 2.280 -7.736 -2.250 229 HD22 LEU 28 HD22 LEU 28 3.808 -8.536 -2.639 230 HD23 LEU 28 HD23 LEU 28 2.682 -8.107 -3.931 231 H ASP 29 HN ASP 29 1.676 -3.427 -5.204 232 HA ASP 29 HA ASP 29 3.498 -3.691 -7.359 233 HB2 ASP 29 HB2 ASP 29 0.953 -3.974 -7.366 234 HB3 ASP 29 HB1 ASP 29 0.873 -2.221 -7.453 235 H GLN 30 HN GLN 30 2.068 -0.954 -5.658 236 HA GLN 30 HA GLN 30 3.252 1.104 -7.135 237 HB2 GLN 30 HB2 GLN 30 2.578 1.012 -4.215 238 HB3 GLN 30 HB1 GLN 30 2.799 2.462 -5.183 239 HG2 GLN 30 HG2 GLN 30 0.599 0.426 -5.443 240 HG3 GLN 30 HG1 GLN 30 0.480 2.089 -4.891 241 HE21 GLN 30 HE21 GLN 30 0.844 -0.001 -7.618 242 HE22 GLN 30 HE22 GLN 30 0.539 1.186 -8.841 243 H ALA 31 HN ALA 31 4.285 -0.590 -4.243 244 HA ALA 31 HA ALA 31 6.677 0.818 -3.770 245 HB1 ALA 31 HB1 ALA 31 6.059 -2.081 -3.191 246 HB2 ALA 31 HB2 ALA 31 5.563 -0.721 -2.176 247 HB3 ALA 31 HB3 ALA 31 7.280 -1.080 -2.392 248 H ALA 32 HN ALA 32 5.785 -1.778 -5.835 249 HA ALA 32 HA ALA 32 8.360 -2.568 -6.678 250 HB1 ALA 32 HB1 ALA 32 6.755 -4.147 -7.141 251 HB2 ALA 32 HB2 ALA 32 6.828 -3.340 -8.711 252 HB3 ALA 32 HB3 ALA 32 5.533 -2.941 -7.574 253 H SER 33 HN SER 33 5.920 -0.342 -7.928 254 HA SER 33 HA SER 33 7.222 0.464 -10.264 255 HB2 SER 33 HB2 SER 33 4.921 1.013 -9.959 256 HB3 SER 33 HB1 SER 33 5.243 1.810 -8.420 257 HG SER 33 HG SER 33 5.592 2.733 -11.030 258 H VAL 34 HN VAL 34 7.444 1.571 -6.948 259 HA VAL 34 HA VAL 34 9.124 3.786 -7.323 260 HB VAL 34 HB VAL 34 9.143 1.961 -4.934 261 HG11 VAL 34 HG11 VAL 34 9.655 4.907 -5.287 262 HG12 VAL 34 HG12 VAL 34 10.826 3.665 -4.843 263 HG13 VAL 34 HG13 VAL 34 9.532 4.103 -3.724 264 HG21 VAL 34 HG21 VAL 34 7.182 4.133 -5.579 265 HG22 VAL 34 HG22 VAL 34 7.331 3.305 -4.029 266 HG23 VAL 34 HG23 VAL 34 6.866 2.402 -5.465 267 H LEU 35 HN LEU 35 9.780 0.550 -6.138 268 HA LEU 35 HA LEU 35 12.504 0.921 -5.803 269 HB2 LEU 35 HB2 LEU 35 10.518 -1.159 -5.613 270 HB3 LEU 35 HB1 LEU 35 12.116 -1.780 -6.001 271 HG LEU 35 HG LEU 35 12.922 -1.322 -3.916 272 HD11 LEU 35 HD11 LEU 35 12.752 1.081 -3.964 273 HD12 LEU 35 HD12 LEU 35 12.055 0.499 -2.453 274 HD13 LEU 35 HD13 LEU 35 11.000 1.002 -3.778 275 HD21 LEU 35 HD21 LEU 35 10.974 -1.487 -2.274 276 HD22 LEU 35 HD22 LEU 35 11.186 -2.782 -3.449 277 HD23 LEU 35 HD23 LEU 35 9.953 -1.545 -3.718 278 H GLY 36 HN GLY 36 10.729 -0.181 -8.623 279 HA2 GLY 36 HA2 GLY 36 12.120 0.220 -10.703 280 HA3 GLY 36 HA1 GLY 36 13.323 -0.760 -9.878 281 H TYR 37 HN TYR 37 10.105 -1.669 -9.393 282 HA TYR 37 HA TYR 37 10.695 -4.146 -10.840 283 HB2 TYR 37 HB2 TYR 37 8.618 -3.691 -8.708 284 HB3 TYR 37 HB1 TYR 37 9.238 -5.224 -9.283 285 HD1 TYR 37 HD1 TYR 37 9.100 -4.318 -6.378 286 HD2 TYR 37 HD2 TYR 37 12.161 -4.093 -9.303 287 HE1 TYR 37 HE1 TYR 37 10.776 -4.304 -4.594 288 HE2 TYR 37 HE2 TYR 37 13.854 -4.059 -7.546 289 HH TYR 37 HH TYR 37 13.135 -4.805 -4.282 290 H ALA 38 HN ALA 38 8.641 -5.324 -11.569 291 HA ALA 38 HA ALA 38 6.661 -3.433 -12.641 292 HB1 ALA 38 HB1 ALA 38 8.057 -5.512 -14.313 293 HB2 ALA 38 HB2 ALA 38 8.411 -3.783 -14.346 294 HB3 ALA 38 HB3 ALA 38 6.829 -4.371 -14.858 295 H SER 39 HN SER 39 7.257 -6.233 -10.995 296 HA SER 39 HA SER 39 4.527 -7.123 -11.282 297 HB2 SER 39 HB2 SER 39 5.702 -8.242 -13.167 298 HB3 SER 39 HB1 SER 39 6.819 -8.968 -12.018 299 HG SER 39 HG SER 39 4.127 -9.549 -12.523 300 H THR 40 HN THR 40 6.256 -6.010 -9.250 301 HA THR 40 HA THR 40 7.095 -6.288 -7.155 302 HB THR 40 HB THR 40 5.625 -7.502 -5.591 303 HG1 THR 40 HG1 THR 40 4.733 -8.660 -7.956 304 HG21 THR 40 HG21 THR 40 5.030 -5.242 -6.194 305 HG22 THR 40 HG22 THR 40 3.555 -6.208 -6.089 306 HG23 THR 40 HG23 THR 40 4.239 -5.808 -7.667 307 H GLU 41 HN GLU 41 8.520 -7.717 -8.934 308 HA GLU 41 HA GLU 41 8.680 -10.473 -8.595 309 HB2 GLU 41 HB2 GLU 41 11.012 -10.160 -9.602 310 HB3 GLU 41 HB1 GLU 41 9.629 -9.620 -10.541 311 HG2 GLU 41 HG2 GLU 41 10.930 -7.619 -8.798 312 HG3 GLU 41 HG1 GLU 41 11.820 -8.153 -10.223 313 H SER 42 HN SER 42 10.523 -7.933 -6.903 314 HA SER 42 HA SER 42 11.620 -10.082 -5.228 315 HB2 SER 42 HB2 SER 42 13.578 -8.442 -4.897 316 HB3 SER 42 HB1 SER 42 13.461 -9.281 -6.443 317 HG SER 42 HG SER 42 13.810 -6.877 -6.399 318 H LEU 43 HN LEU 43 9.198 -8.567 -4.774 319 HA LEU 43 HA LEU 43 9.888 -6.989 -2.422 320 HB2 LEU 43 HB2 LEU 43 7.364 -7.386 -3.981 321 HB3 LEU 43 HB1 LEU 43 7.382 -6.577 -2.425 322 HG LEU 43 HG LEU 43 9.030 -5.678 -4.775 323 HD11 LEU 43 HD11 LEU 43 6.680 -5.543 -5.309 324 HD12 LEU 43 HD12 LEU 43 7.352 -3.933 -5.040 325 HD13 LEU 43 HD13 LEU 43 6.367 -4.701 -3.793 326 HD21 LEU 43 HD21 LEU 43 9.131 -3.596 -3.454 327 HD22 LEU 43 HD22 LEU 43 9.897 -4.966 -2.648 328 HD23 LEU 43 HD23 LEU 43 8.296 -4.424 -2.141 329 H ASP 44 HN ASP 44 8.540 -7.233 -0.514 330 HA ASP 44 HA ASP 44 7.442 -9.916 -0.090 331 HB2 ASP 44 HB2 ASP 44 9.884 -9.399 0.923 332 HB3 ASP 44 HB1 ASP 44 8.903 -8.649 2.174 333 H THR 45 HN THR 45 5.685 -9.925 1.299 334 HA THR 45 HA THR 45 4.679 -7.284 2.061 335 HB THR 45 HB THR 45 2.560 -8.654 2.569 336 HG1 THR 45 HG1 THR 45 3.830 -10.487 0.788 337 HG21 THR 45 HG21 THR 45 1.918 -8.681 0.164 338 HG22 THR 45 HG22 THR 45 3.591 -8.278 -0.230 339 HG23 THR 45 HG23 THR 45 2.613 -7.160 0.720 340 H HIS 46 HN HIS 46 6.282 -9.942 3.299 341 HA HIS 46 HA HIS 46 5.216 -9.571 6.008 342 HB2 HIS 46 HB2 HIS 46 6.979 -11.722 4.821 343 HB3 HIS 46 HB1 HIS 46 6.578 -11.621 6.526 344 HD1 HIS 46 HD1 HIS 46 4.819 -13.230 7.111 345 HD2 HIS 46 HD2 HIS 46 4.310 -11.700 3.283 346 HE1 HIS 46 HE1 HIS 46 2.758 -14.349 6.212 347 HE2 HIS 46 HE2 HIS 46 2.582 -13.553 3.833 348 H GLU 47 HN GLU 47 7.553 -8.315 4.097 349 HA GLU 47 HA GLU 47 9.343 -7.842 6.376 350 HB2 GLU 47 HB2 GLU 47 11.168 -8.209 5.121 351 HB3 GLU 47 HB1 GLU 47 10.073 -9.068 4.053 352 HG2 GLU 47 HG2 GLU 47 9.783 -6.899 2.798 353 HG3 GLU 47 HG1 GLU 47 11.109 -6.266 3.778 354 H SER 48 HN SER 48 10.197 -5.699 6.526 355 HA SER 48 HA SER 48 8.045 -3.856 5.931 356 HB2 SER 48 HB2 SER 48 10.564 -3.223 7.461 357 HB3 SER 48 HB1 SER 48 8.975 -2.476 7.591 358 HG SER 48 HG SER 48 8.594 -5.016 8.090 359 H PHE 49 HN PHE 49 8.286 -1.881 4.924 360 HA PHE 49 HA PHE 49 9.628 -1.818 2.520 361 HB2 PHE 49 HB2 PHE 49 8.683 0.522 4.156 362 HB3 PHE 49 HB1 PHE 49 9.138 0.599 2.459 363 HD1 PHE 49 HD1 PHE 49 7.681 -0.225 0.751 364 HD2 PHE 49 HD2 PHE 49 6.676 -0.625 4.857 365 HE1 PHE 49 HE1 PHE 49 5.367 -0.778 0.128 366 HE2 PHE 49 HE2 PHE 49 4.373 -1.173 4.246 367 HZ PHE 49 HZ PHE 49 3.713 -1.253 1.887 368 H LYS 50 HN LYS 50 10.693 -0.686 5.618 369 HA LYS 50 HA LYS 50 13.010 0.604 5.159 370 HB2 LYS 50 HB2 LYS 50 12.014 -0.255 7.336 371 HB3 LYS 50 HB1 LYS 50 12.815 -1.774 6.990 372 HG2 LYS 50 HG2 LYS 50 14.126 -0.505 8.525 373 HG3 LYS 50 HG1 LYS 50 14.975 -0.630 6.990 374 HD2 LYS 50 HD2 LYS 50 15.210 1.610 7.843 375 HD3 LYS 50 HD1 LYS 50 14.169 1.645 6.420 376 HE2 LYS 50 HE2 LYS 50 12.205 1.818 7.793 377 HE3 LYS 50 HE1 LYS 50 13.157 1.581 9.257 378 HZ1 LYS 50 HZ1 LYS 50 14.274 3.669 8.836 379 HZ2 LYS 50 HZ2 LYS 50 12.606 3.913 8.900 380 HZ3 LYS 50 HZ3 LYS 50 13.398 3.894 7.409 381 H ASP 51 HN ASP 51 12.610 -2.902 5.115 382 HA ASP 51 HA ASP 51 15.255 -3.351 4.082 383 HB2 ASP 51 HB2 ASP 51 13.943 -4.917 5.617 384 HB3 ASP 51 HB1 ASP 51 13.065 -5.402 4.173 385 H LEU 52 HN LEU 52 12.179 -2.739 2.682 386 HA LEU 52 HA LEU 52 12.736 -3.853 0.111 387 HB2 LEU 52 HB2 LEU 52 10.747 -1.884 1.161 388 HB3 LEU 52 HB1 LEU 52 10.918 -2.118 -0.551 389 HG LEU 52 HG LEU 52 10.320 -4.492 -0.301 390 HD11 LEU 52 HD11 LEU 52 9.366 -5.227 1.851 391 HD12 LEU 52 HD12 LEU 52 9.993 -3.752 2.586 392 HD13 LEU 52 HD13 LEU 52 11.105 -4.939 1.905 393 HD21 LEU 52 HD21 LEU 52 8.534 -2.977 -0.781 394 HD22 LEU 52 HD22 LEU 52 8.395 -2.546 0.926 395 HD23 LEU 52 HD23 LEU 52 7.978 -4.177 0.394 396 H GLY 53 HN GLY 53 13.699 -1.100 1.838 397 HA2 GLY 53 HA2 GLY 53 15.675 0.021 1.119 398 HA3 GLY 53 HA1 GLY 53 15.145 -0.173 -0.541 399 H PHE 54 HN PHE 54 12.600 0.757 1.544 400 HA PHE 54 HA PHE 54 12.535 3.329 0.299 401 HB2 PHE 54 HB2 PHE 54 10.741 2.040 2.363 402 HB3 PHE 54 HB1 PHE 54 10.477 3.648 1.697 403 HD1 PHE 54 HD1 PHE 54 9.685 3.961 -0.523 404 HD2 PHE 54 HD2 PHE 54 10.566 0.083 0.951 405 HE1 PHE 54 HE1 PHE 54 8.486 2.982 -2.420 406 HE2 PHE 54 HE2 PHE 54 9.382 -0.920 -0.934 407 HZ PHE 54 HZ PHE 54 8.445 0.567 -2.738 408 H ASP 55 HN ASP 55 12.196 5.318 1.502 409 HA ASP 55 HA ASP 55 13.264 5.685 4.106 410 HB2 ASP 55 HB2 ASP 55 15.323 5.196 2.589 411 HB3 ASP 55 HB1 ASP 55 15.019 6.804 1.930 412 H SER 56 HN SER 56 14.218 8.407 3.619 413 HA SER 56 HA SER 56 11.643 9.673 3.385 414 HB2 SER 56 HB2 SER 56 12.980 11.773 3.809 415 HB3 SER 56 HB1 SER 56 13.142 10.529 5.048 416 HG SER 56 HG SER 56 14.994 11.393 3.124 417 H LEU 57 HN LEU 57 12.439 8.399 1.029 418 HA LEU 57 HA LEU 57 12.380 10.584 -0.893 419 HB2 LEU 57 HB2 LEU 57 14.111 8.147 -1.141 420 HB3 LEU 57 HB1 LEU 57 14.035 9.482 -2.274 421 HG LEU 57 HG LEU 57 15.018 9.726 0.563 422 HD11 LEU 57 HD11 LEU 57 17.271 9.743 -0.383 423 HD12 LEU 57 HD12 LEU 57 16.604 9.399 -1.979 424 HD13 LEU 57 HD13 LEU 57 16.452 8.212 -0.685 425 HD21 LEU 57 HD21 LEU 57 15.979 11.832 -0.249 426 HD22 LEU 57 HD22 LEU 57 14.223 11.805 -0.397 427 HD23 LEU 57 HD23 LEU 57 15.232 11.559 -1.821 428 H THR 58 HN THR 58 12.688 7.072 -0.920 429 HA THR 58 HA THR 58 10.911 6.737 -3.096 430 HB THR 58 HB THR 58 11.124 4.254 -2.295 431 HG1 THR 58 HG1 THR 58 13.426 4.522 -1.102 432 HG21 THR 58 HG21 THR 58 12.296 5.218 -4.227 433 HG22 THR 58 HG22 THR 58 13.318 4.086 -3.342 434 HG23 THR 58 HG23 THR 58 13.556 5.823 -3.152 435 H ALA 59 HN ALA 59 10.599 6.221 0.396 436 HA ALA 59 HA ALA 59 8.066 5.110 0.459 437 HB1 ALA 59 HB1 ALA 59 9.577 5.422 2.427 438 HB2 ALA 59 HB2 ALA 59 7.913 5.925 2.730 439 HB3 ALA 59 HB3 ALA 59 9.160 7.135 2.423 440 H LEU 60 HN LEU 60 9.131 8.391 0.050 441 HA LEU 60 HA LEU 60 6.675 9.688 0.445 442 HB2 LEU 60 HB2 LEU 60 9.161 10.452 -1.071 443 HB3 LEU 60 HB1 LEU 60 7.793 11.535 -0.889 444 HG LEU 60 HG LEU 60 9.622 12.017 0.713 445 HD11 LEU 60 HD11 LEU 60 7.365 12.647 1.291 446 HD12 LEU 60 HD12 LEU 60 8.243 12.110 2.723 447 HD13 LEU 60 HD13 LEU 60 7.071 11.042 1.958 448 HD21 LEU 60 HD21 LEU 60 10.462 9.779 1.100 449 HD22 LEU 60 HD22 LEU 60 8.931 9.315 1.845 450 HD23 LEU 60 HD23 LEU 60 9.961 10.516 2.622 451 H GLU 61 HN GLU 61 8.290 8.603 -2.549 452 HA GLU 61 HA GLU 61 6.054 9.442 -4.149 453 HB2 GLU 61 HB2 GLU 61 7.175 7.972 -5.921 454 HB3 GLU 61 HB1 GLU 61 8.044 9.402 -5.366 455 HG2 GLU 61 HG2 GLU 61 9.404 8.014 -3.914 456 HG3 GLU 61 HG1 GLU 61 8.507 6.588 -4.429 457 H LEU 62 HN LEU 62 6.970 6.501 -2.511 458 HA LEU 62 HA LEU 62 5.020 4.815 -3.703 459 HB2 LEU 62 HB2 LEU 62 6.786 3.864 -2.370 460 HB3 LEU 62 HB1 LEU 62 6.252 4.761 -0.962 461 HG LEU 62 HG LEU 62 4.147 3.507 -0.947 462 HD11 LEU 62 HD11 LEU 62 3.953 1.516 -2.390 463 HD12 LEU 62 HD12 LEU 62 5.367 2.076 -3.285 464 HD13 LEU 62 HD13 LEU 62 3.894 3.044 -3.270 465 HD21 LEU 62 HD21 LEU 62 6.149 2.758 0.285 466 HD22 LEU 62 HD22 LEU 62 6.534 1.693 -1.067 467 HD23 LEU 62 HD23 LEU 62 5.046 1.452 -0.147 468 H ARG 63 HN ARG 63 5.049 6.781 -0.783 469 HA ARG 63 HA ARG 63 2.455 6.293 0.116 470 HB2 ARG 63 HB2 ARG 63 3.964 7.422 1.555 471 HB3 ARG 63 HB1 ARG 63 4.390 8.603 0.331 472 HG2 ARG 63 HG2 ARG 63 1.595 8.548 1.347 473 HG3 ARG 63 HG1 ARG 63 2.864 9.235 2.360 474 HD2 ARG 63 HD2 ARG 63 2.102 10.095 -0.427 475 HD3 ARG 63 HD1 ARG 63 1.815 10.981 1.066 476 HE ARG 63 HE ARG 63 4.551 10.422 0.119 477 HH11 ARG 63 HH11 ARG 63 2.092 12.642 1.250 478 HH12 ARG 63 HH12 ARG 63 3.126 14.033 1.170 479 HH21 ARG 63 HH21 ARG 63 5.909 12.276 -0.021 480 HH22 ARG 63 HH22 ARG 63 5.292 13.823 0.451 481 H ASP 64 HN ASP 64 3.838 8.644 -2.086 482 HA ASP 64 HA ASP 64 1.560 9.989 -2.913 483 HB2 ASP 64 HB2 ASP 64 3.990 10.499 -3.409 484 HB3 ASP 64 HB1 ASP 64 3.889 9.276 -4.665 485 H HIS 65 HN HIS 65 3.017 6.988 -4.098 486 HA HIS 65 HA HIS 65 1.285 6.518 -6.253 487 HB2 HIS 65 HB2 HIS 65 2.852 4.651 -4.519 488 HB3 HIS 65 HB1 HIS 65 1.925 4.106 -5.893 489 HD1 HIS 65 HD1 HIS 65 2.921 6.692 -7.683 490 HD2 HIS 65 HD2 HIS 65 5.185 3.882 -5.662 491 HE1 HIS 65 HE1 HIS 65 5.200 6.722 -8.769 492 HE2 HIS 65 HE2 HIS 65 6.479 4.890 -7.656 493 H LEU 66 HN LEU 66 1.048 5.582 -2.817 494 HA LEU 66 HA LEU 66 -1.111 3.793 -3.201 495 HB2 LEU 66 HB2 LEU 66 0.054 5.219 -0.863 496 HB3 LEU 66 HB1 LEU 66 -1.463 4.369 -0.677 497 HG LEU 66 HG LEU 66 -0.494 2.288 -0.863 498 HD11 LEU 66 HD11 LEU 66 1.849 3.533 -2.288 499 HD12 LEU 66 HD12 LEU 66 0.547 2.614 -3.043 500 HD13 LEU 66 HD13 LEU 66 1.652 1.819 -1.924 501 HD21 LEU 66 HD21 LEU 66 1.625 2.323 0.408 502 HD22 LEU 66 HD22 LEU 66 0.358 3.321 1.118 503 HD23 LEU 66 HD23 LEU 66 1.667 4.076 0.211 504 H GLN 67 HN GLN 67 -0.979 7.205 -2.415 505 HA GLN 67 HA GLN 67 -3.795 7.496 -1.962 506 HB2 GLN 67 HB2 GLN 67 -1.961 9.706 -2.828 507 HB3 GLN 67 HB1 GLN 67 -3.371 9.800 -1.778 508 HG2 GLN 67 HG2 GLN 67 -2.259 8.873 0.017 509 HG3 GLN 67 HG1 GLN 67 -1.031 8.154 -1.029 510 HE21 GLN 67 HE21 GLN 67 -0.467 10.430 -2.565 511 HE22 GLN 67 HE22 GLN 67 0.385 11.537 -1.563 512 H THR 68 HN THR 68 -1.635 7.804 -4.688 513 HA THR 68 HA THR 68 -3.473 8.790 -6.546 514 HB THR 68 HB THR 68 -0.873 7.333 -6.552 515 HG1 THR 68 HG1 THR 68 -0.365 9.366 -6.337 516 HG21 THR 68 HG21 THR 68 -2.055 6.493 -8.515 517 HG22 THR 68 HG22 THR 68 -0.703 7.527 -8.969 518 HG23 THR 68 HG23 THR 68 -2.352 8.148 -9.049 519 H ALA 69 HN ALA 69 -2.266 5.618 -5.790 520 HA ALA 69 HA ALA 69 -3.806 4.052 -7.448 521 HB1 ALA 69 HB1 ALA 69 -3.258 2.239 -5.892 522 HB2 ALA 69 HB2 ALA 69 -2.671 3.447 -4.745 523 HB3 ALA 69 HB3 ALA 69 -1.867 3.245 -6.300 524 H THR 70 HN THR 70 -4.451 4.917 -4.050 525 HA THR 70 HA THR 70 -6.949 3.427 -4.152 526 HB THR 70 HB THR 70 -7.109 3.846 -1.750 527 HG1 THR 70 HG1 THR 70 -4.632 5.220 -1.822 528 HG21 THR 70 HG21 THR 70 -4.263 3.174 -2.494 529 HG22 THR 70 HG22 THR 70 -5.614 2.040 -2.587 530 HG23 THR 70 HG23 THR 70 -5.116 2.694 -1.027 531 H GLY 71 HN GLY 71 -5.792 6.691 -3.951 532 HA2 GLY 71 HA2 GLY 71 -6.959 8.634 -4.515 533 HA3 GLY 71 HA1 GLY 71 -8.464 7.722 -4.472 534 H LEU 72 HN LEU 72 -6.609 6.995 -1.830 535 HA LEU 72 HA LEU 72 -8.333 8.601 -0.094 536 HB2 LEU 72 HB2 LEU 72 -6.733 6.081 0.258 537 HB3 LEU 72 HB1 LEU 72 -7.291 6.985 1.649 538 HG LEU 72 HG LEU 72 -8.748 5.074 1.101 539 HD11 LEU 72 HD11 LEU 72 -10.873 6.266 1.182 540 HD12 LEU 72 HD12 LEU 72 -10.056 7.760 0.725 541 HD13 LEU 72 HD13 LEU 72 -9.684 6.983 2.266 542 HD21 LEU 72 HD21 LEU 72 -8.497 5.043 -1.315 543 HD22 LEU 72 HD22 LEU 72 -9.359 6.574 -1.433 544 HD23 LEU 72 HD23 LEU 72 -10.194 5.134 -0.853 545 H ASN 73 HN ASN 73 -6.800 8.622 2.201 546 HA ASN 73 HA ASN 73 -4.720 10.527 1.373 547 HB2 ASN 73 HB2 ASN 73 -6.732 11.628 2.273 548 HB3 ASN 73 HB1 ASN 73 -6.557 10.711 3.766 549 HD21 ASN 73 HD21 ASN 73 -5.175 13.225 1.778 550 HD22 ASN 73 HD22 ASN 73 -4.183 13.925 3.013 551 H LEU 74 HN LEU 74 -2.861 9.485 1.726 552 HA LEU 74 HA LEU 74 -2.515 8.105 4.271 553 HB2 LEU 74 HB2 LEU 74 -0.978 7.861 1.692 554 HB3 LEU 74 HB1 LEU 74 -0.576 7.013 3.179 555 HG LEU 74 HG LEU 74 -3.045 6.136 2.987 556 HD11 LEU 74 HD11 LEU 74 -2.410 6.686 0.088 557 HD12 LEU 74 HD12 LEU 74 -3.622 7.548 1.036 558 HD13 LEU 74 HD13 LEU 74 -3.821 5.825 0.715 559 HD21 LEU 74 HD21 LEU 74 -0.669 5.197 1.428 560 HD22 LEU 74 HD22 LEU 74 -2.165 4.276 1.538 561 HD23 LEU 74 HD23 LEU 74 -1.247 4.640 3.000 562 H SER 75 HN SER 75 0.486 8.248 4.119 563 HA SER 75 HA SER 75 0.821 11.076 4.768 564 HB2 SER 75 HB2 SER 75 -0.185 9.908 6.784 565 HB3 SER 75 HB1 SER 75 1.309 8.980 6.893 566 HG SER 75 HG SER 75 2.312 10.672 7.669 567 H SER 76 HN SER 76 3.124 11.605 5.360 568 HA SER 76 HA SER 76 4.830 10.610 3.402 569 HB2 SER 76 HB2 SER 76 5.554 12.047 5.962 570 HB3 SER 76 HB1 SER 76 6.636 11.821 4.589 571 HG SER 76 HG SER 76 4.378 13.461 4.840 572 H THR 77 HN THR 77 4.639 9.665 6.820 573 HA THR 77 HA THR 77 6.843 7.765 6.408 574 HB THR 77 HB THR 77 6.704 7.531 8.938 575 HG1 THR 77 HG1 THR 77 5.676 9.844 9.559 576 HG21 THR 77 HG21 THR 77 8.429 8.850 7.825 577 HG22 THR 77 HG22 THR 77 7.925 9.624 9.328 578 HG23 THR 77 HG23 THR 77 7.346 10.240 7.780 579 H LEU 78 HN LEU 78 4.193 7.516 5.408 580 HA LEU 78 HA LEU 78 2.335 6.003 6.689 581 HB2 LEU 78 HB2 LEU 78 2.238 7.032 4.445 582 HB3 LEU 78 HB1 LEU 78 3.286 5.779 3.851 583 HG LEU 78 HG LEU 78 0.677 5.754 3.496 584 HD11 LEU 78 HD11 LEU 78 2.097 4.227 2.425 585 HD12 LEU 78 HD12 LEU 78 0.854 3.284 3.264 586 HD13 LEU 78 HD13 LEU 78 2.476 3.407 3.949 587 HD21 LEU 78 HD21 LEU 78 -0.232 4.027 5.132 588 HD22 LEU 78 HD22 LEU 78 -0.111 5.700 5.673 589 HD23 LEU 78 HD23 LEU 78 1.098 4.520 6.185 590 H ILE 79 HN ILE 79 4.904 4.666 4.641 591 HA ILE 79 HA ILE 79 4.367 1.967 5.478 592 HB ILE 79 HB ILE 79 6.155 1.363 3.987 593 HG12 ILE 79 HG12 ILE 79 6.780 4.304 4.006 594 HG13 ILE 79 HG11 ILE 79 7.845 2.971 4.441 595 HG21 ILE 79 HG21 ILE 79 5.387 2.438 1.925 596 HG22 ILE 79 HG22 ILE 79 4.492 3.620 2.886 597 HG23 ILE 79 HG23 ILE 79 4.046 1.910 2.943 598 HD11 ILE 79 HD11 ILE 79 6.871 3.783 1.735 599 HD12 ILE 79 HD12 ILE 79 7.636 2.220 2.043 600 HD13 ILE 79 HD13 ILE 79 8.532 3.714 2.326 601 H PHE 80 HN PHE 80 5.766 4.261 7.210 602 HA PHE 80 HA PHE 80 7.624 2.355 8.457 603 HB2 PHE 80 HB2 PHE 80 7.764 5.377 8.438 604 HB3 PHE 80 HB1 PHE 80 8.853 4.324 9.335 605 HD1 PHE 80 HD1 PHE 80 9.033 6.377 6.793 606 HD2 PHE 80 HD2 PHE 80 9.394 2.187 7.429 607 HE1 PHE 80 HE1 PHE 80 10.519 6.228 4.837 608 HE2 PHE 80 HE2 PHE 80 10.866 2.013 5.472 609 HZ PHE 80 HZ PHE 80 11.325 3.975 4.095 610 H ASP 81 HN ASP 81 4.818 4.137 8.629 611 HA ASP 81 HA ASP 81 4.465 3.918 11.489 612 HB2 ASP 81 HB2 ASP 81 3.250 5.398 9.424 613 HB3 ASP 81 HB1 ASP 81 2.044 4.232 9.945 614 H HIS 82 HN HIS 82 3.563 2.438 8.494 615 HA HIS 82 HA HIS 82 2.599 0.052 9.886 616 HB2 HIS 82 HB2 HIS 82 1.769 0.977 7.125 617 HB3 HIS 82 HB1 HIS 82 1.038 -0.293 8.092 618 HD1 HIS 82 HD1 HIS 82 -0.477 0.446 10.091 619 HD2 HIS 82 HD2 HIS 82 0.987 3.567 7.758 620 HE1 HIS 82 HE1 HIS 82 -1.726 2.495 10.844 621 HE2 HIS 82 HE2 HIS 82 -0.669 4.399 9.571 622 HA PRO 83 HA PRO 83 6.586 -0.939 8.519 623 HB2 PRO 83 HB2 PRO 83 6.551 -3.621 9.124 624 HB3 PRO 83 HB1 PRO 83 6.778 -2.332 10.311 625 HG2 PRO 83 HG2 PRO 83 4.272 -3.822 9.588 626 HG3 PRO 83 HG1 PRO 83 4.888 -3.373 11.194 627 HD2 PRO 83 HD2 PRO 83 2.946 -1.954 10.011 628 HD3 PRO 83 HD1 PRO 83 4.203 -1.162 10.969 629 H THR 84 HN THR 84 4.025 -3.133 7.378 630 HA THR 84 HA THR 84 5.747 -3.757 5.091 631 HB THR 84 HB THR 84 4.663 -5.965 5.037 632 HG1 THR 84 HG1 THR 84 3.565 -6.411 7.222 633 HG21 THR 84 HG21 THR 84 6.780 -5.735 6.221 634 HG22 THR 84 HG22 THR 84 5.742 -6.902 7.042 635 HG23 THR 84 HG23 THR 84 5.924 -5.271 7.692 636 HA PRO 85 HA PRO 85 2.447 -2.612 2.331 637 HB2 PRO 85 HB2 PRO 85 2.828 -5.243 1.028 638 HB3 PRO 85 HB1 PRO 85 2.928 -3.631 0.325 639 HG2 PRO 85 HG2 PRO 85 5.115 -5.122 0.768 640 HG3 PRO 85 HG1 PRO 85 5.129 -3.356 0.928 641 HD2 PRO 85 HD2 PRO 85 5.091 -5.445 3.041 642 HD3 PRO 85 HD1 PRO 85 5.866 -3.855 3.044 643 H HIS 86 HN HIS 86 2.622 -5.460 4.129 644 HA HIS 86 HA HIS 86 -0.084 -6.352 3.755 645 HB2 HIS 86 HB2 HIS 86 1.279 -8.063 4.476 646 HB3 HIS 86 HB1 HIS 86 2.237 -7.018 5.496 647 HD1 HIS 86 HD1 HIS 86 -0.304 -9.579 5.661 648 HD2 HIS 86 HD2 HIS 86 0.808 -6.314 7.985 649 HE1 HIS 86 HE1 HIS 86 -1.245 -10.032 7.946 650 HE2 HIS 86 HE2 HIS 86 -0.739 -7.948 9.267 651 H ALA 87 HN ALA 87 1.717 -4.534 6.172 652 HA ALA 87 HA ALA 87 -0.526 -4.036 7.870 653 HB1 ALA 87 HB1 ALA 87 2.133 -2.614 7.746 654 HB2 ALA 87 HB2 ALA 87 1.803 -4.065 8.697 655 HB3 ALA 87 HB3 ALA 87 0.979 -2.555 9.080 656 H VAL 88 HN VAL 88 0.828 -2.631 5.121 657 HA VAL 88 HA VAL 88 -0.381 -0.031 5.488 658 HB VAL 88 HB VAL 88 1.177 -1.270 3.243 659 HG11 VAL 88 HG11 VAL 88 -0.369 0.248 2.255 660 HG12 VAL 88 HG12 VAL 88 1.226 1.007 2.262 661 HG13 VAL 88 HG13 VAL 88 0.013 1.487 3.450 662 HG21 VAL 88 HG21 VAL 88 2.509 -0.757 5.190 663 HG22 VAL 88 HG22 VAL 88 1.873 0.892 5.220 664 HG23 VAL 88 HG23 VAL 88 2.896 0.364 3.884 665 H ALA 89 HN ALA 89 -0.811 -2.866 3.425 666 HA ALA 89 HA ALA 89 -2.900 -1.806 1.886 667 HB1 ALA 89 HB1 ALA 89 -3.488 -4.133 1.364 668 HB2 ALA 89 HB2 ALA 89 -2.366 -4.682 2.614 669 HB3 ALA 89 HB3 ALA 89 -1.763 -3.817 1.201 670 H GLU 90 HN GLU 90 -2.941 -3.562 5.016 671 HA GLU 90 HA GLU 90 -5.815 -3.495 5.077 672 HB2 GLU 90 HB2 GLU 90 -5.510 -4.171 7.475 673 HB3 GLU 90 HB1 GLU 90 -4.774 -5.244 6.291 674 HG2 GLU 90 HG2 GLU 90 -2.608 -4.273 6.721 675 HG3 GLU 90 HG1 GLU 90 -3.317 -3.154 7.882 676 H HIS 91 HN HIS 91 -3.241 -1.403 5.995 677 HA HIS 91 HA HIS 91 -4.722 0.418 7.534 678 HB2 HIS 91 HB2 HIS 91 -2.368 0.600 7.652 679 HB3 HIS 91 HB1 HIS 91 -2.208 0.676 5.896 680 HD1 HIS 91 HD1 HIS 91 -3.532 2.786 8.782 681 HD2 HIS 91 HD2 HIS 91 -2.192 3.152 4.863 682 HE1 HIS 91 HE1 HIS 91 -3.408 5.259 8.341 683 HE2 HIS 91 HE2 HIS 91 -2.672 5.469 5.945 684 H LEU 92 HN LEU 92 -4.524 -0.227 4.155 685 HA LEU 92 HA LEU 92 -5.683 2.250 3.332 686 HB2 LEU 92 HB2 LEU 92 -4.850 -0.277 2.018 687 HB3 LEU 92 HB1 LEU 92 -6.075 0.685 1.202 688 HG LEU 92 HG LEU 92 -4.629 2.465 0.828 689 HD11 LEU 92 HD11 LEU 92 -3.757 3.013 2.913 690 HD12 LEU 92 HD12 LEU 92 -2.334 2.513 1.994 691 HD13 LEU 92 HD13 LEU 92 -3.068 1.406 3.150 692 HD21 LEU 92 HD21 LEU 92 -2.841 0.049 0.792 693 HD22 LEU 92 HD22 LEU 92 -2.580 1.549 -0.098 694 HD23 LEU 92 HD23 LEU 92 -3.964 0.523 -0.482 695 H LEU 93 HN LEU 93 -6.858 -0.542 4.738 696 HA LEU 93 HA LEU 93 -9.557 -0.403 3.714 697 HB2 LEU 93 HB2 LEU 93 -8.335 -1.854 6.037 698 HB3 LEU 93 HB1 LEU 93 -10.058 -1.865 5.733 699 HG LEU 93 HG LEU 93 -9.847 -3.219 3.852 700 HD11 LEU 93 HD11 LEU 93 -7.680 -3.702 2.756 701 HD12 LEU 93 HD12 LEU 93 -6.922 -2.489 3.798 702 HD13 LEU 93 HD13 LEU 93 -8.162 -2.009 2.636 703 HD21 LEU 93 HD21 LEU 93 -7.628 -4.035 5.714 704 HD22 LEU 93 HD22 LEU 93 -8.469 -5.087 4.573 705 HD23 LEU 93 HD23 LEU 93 -9.345 -4.384 5.932 706 H GLU 94 HN GLU 94 -7.674 0.762 6.310 707 HA GLU 94 HA GLU 94 -9.589 1.710 8.087 708 HB2 GLU 94 HB2 GLU 94 -6.825 2.634 7.351 709 HB3 GLU 94 HB1 GLU 94 -7.725 3.331 8.701 710 HG2 GLU 94 HG2 GLU 94 -6.916 0.445 8.395 711 HG3 GLU 94 HG1 GLU 94 -6.141 1.634 9.438 712 H GLN 95 HN GLN 95 -8.444 2.915 5.057 713 HA GLN 95 HA GLN 95 -9.467 5.582 5.362 714 HB2 GLN 95 HB2 GLN 95 -8.618 4.243 2.809 715 HB3 GLN 95 HB1 GLN 95 -8.459 5.933 3.263 716 HG2 GLN 95 HG2 GLN 95 -6.968 3.706 4.609 717 HG3 GLN 95 HG1 GLN 95 -6.334 4.618 3.250 718 HE21 GLN 95 HE21 GLN 95 -5.439 4.338 6.009 719 HE22 GLN 95 HE22 GLN 95 -5.325 5.945 6.642 720 H ILE 96 HN ILE 96 -10.652 2.550 4.418 721 HA ILE 96 HA ILE 96 -12.371 3.329 2.296 722 HB ILE 96 HB ILE 96 -12.164 0.793 3.890 723 HG12 ILE 96 HG12 ILE 96 -10.101 1.565 2.837 724 HG13 ILE 96 HG11 ILE 96 -10.676 0.078 2.124 725 HG21 ILE 96 HG21 ILE 96 -14.276 1.019 2.570 726 HG22 ILE 96 HG22 ILE 96 -13.255 -0.352 2.139 727 HG23 ILE 96 HG23 ILE 96 -13.269 1.087 1.122 728 HD11 ILE 96 HD11 ILE 96 -11.466 1.253 0.188 729 HD12 ILE 96 HD12 ILE 96 -9.793 1.736 0.495 730 HD13 ILE 96 HD13 ILE 96 -11.123 2.808 0.945 731 HA PRO 97 HA PRO 97 -15.832 4.741 4.492 732 HB2 PRO 97 HB2 PRO 97 -17.635 4.713 2.543 733 HB3 PRO 97 HB1 PRO 97 -16.190 5.728 2.431 734 HG2 PRO 97 HG2 PRO 97 -16.651 2.997 1.273 735 HG3 PRO 97 HG1 PRO 97 -16.076 4.454 0.451 736 HD2 PRO 97 HD2 PRO 97 -14.388 2.574 1.346 737 HD3 PRO 97 HD1 PRO 97 -13.978 4.287 1.376 738 H GLY 98 HN GLY 98 -16.066 2.870 5.976 739 HA2 GLY 98 HA2 GLY 98 -17.720 1.711 7.118 740 HA3 GLY 98 HA1 GLY 98 -18.763 1.889 5.721 741 H ILE 99 HN ILE 99 -17.724 0.611 3.749 742 HA ILE 99 HA ILE 99 -18.084 -2.102 4.162 743 HB ILE 99 HB ILE 99 -16.500 -2.191 1.999 744 HG12 ILE 99 HG12 ILE 99 -17.622 0.549 1.662 745 HG13 ILE 99 HG11 ILE 99 -16.137 0.379 2.588 746 HG21 ILE 99 HG21 ILE 99 -19.309 -1.096 2.052 747 HG22 ILE 99 HG22 ILE 99 -18.851 -2.799 2.058 748 HG23 ILE 99 HG23 ILE 99 -18.505 -1.800 0.648 749 HD11 ILE 99 HD11 ILE 99 -15.077 -0.707 0.692 750 HD12 ILE 99 HD12 ILE 99 -15.670 0.909 0.284 751 HD13 ILE 99 HD13 ILE 99 -16.564 -0.524 -0.248 752 H GLY 100 HN GLY 100 -15.146 -0.209 4.390 753 HA2 GLY 100 HA2 GLY 100 -13.580 -2.636 4.868 754 HA3 GLY 100 HA1 GLY 100 -12.935 -1.047 4.466 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 -4.768 12.411 -1.502 2 H2 GLY 1 HT2 GLY 1 -5.439 13.698 -2.369 3 H3 GLY 1 HT3 GLY 1 -5.618 12.119 -2.935 4 HA2 GLY 1 HA1 GLY 1 -6.969 11.543 -1.029 5 HA3 GLY 1 HA2 GLY 1 -6.765 13.179 -0.417 6 H SER 2 HN SER 2 -9.194 12.920 -0.484 7 HA SER 2 HA SER 2 -11.206 13.546 -1.321 8 HB2 SER 2 HB2 SER 2 -9.551 15.029 -3.378 9 HB3 SER 2 HB1 SER 2 -11.243 15.335 -2.987 10 HG SER 2 HG SER 2 -9.794 15.377 -0.735 11 H THR 3 HN THR 3 -10.286 11.049 -2.106 12 HA THR 3 HA THR 3 -11.889 10.584 -4.458 13 HB THR 3 HB THR 3 -8.941 9.861 -4.484 14 HG1 THR 3 HG1 THR 3 -10.322 12.043 -5.402 15 HG21 THR 3 HG21 THR 3 -11.035 9.457 -6.622 16 HG22 THR 3 HG22 THR 3 -10.372 8.182 -5.598 17 HG23 THR 3 HG23 THR 3 -9.328 9.033 -6.738 18 H ALA 4 HN ALA 4 -12.450 8.313 -4.635 19 HA ALA 4 HA ALA 4 -11.278 6.383 -2.867 20 HB1 ALA 4 HB1 ALA 4 -14.106 7.253 -2.254 21 HB2 ALA 4 HB2 ALA 4 -12.693 7.643 -1.272 22 HB3 ALA 4 HB3 ALA 4 -13.202 5.964 -1.457 23 H THR 5 HN THR 5 -14.239 7.173 -4.672 24 HA THR 5 HA THR 5 -15.243 4.681 -5.192 25 HB THR 5 HB THR 5 -15.172 6.879 -7.255 26 HG1 THR 5 HG1 THR 5 -16.928 6.591 -5.017 27 HG21 THR 5 HG21 THR 5 -17.405 6.035 -7.825 28 HG22 THR 5 HG22 THR 5 -17.253 4.792 -6.583 29 HG23 THR 5 HG23 THR 5 -16.186 4.769 -7.988 30 H LEU 6 HN LEU 6 -12.466 6.146 -6.650 31 HA LEU 6 HA LEU 6 -12.000 4.484 -8.809 32 HB2 LEU 6 HB2 LEU 6 -10.574 6.345 -8.473 33 HB3 LEU 6 HB1 LEU 6 -10.153 5.823 -6.854 34 HG LEU 6 HG LEU 6 -8.858 3.956 -7.780 35 HD11 LEU 6 HD11 LEU 6 -9.537 5.160 -10.465 36 HD12 LEU 6 HD12 LEU 6 -10.134 3.625 -9.840 37 HD13 LEU 6 HD13 LEU 6 -8.416 3.830 -10.174 38 HD21 LEU 6 HD21 LEU 6 -7.028 5.279 -8.660 39 HD22 LEU 6 HD22 LEU 6 -7.806 6.128 -7.323 40 HD23 LEU 6 HD23 LEU 6 -8.125 6.621 -8.985 41 H LEU 7 HN LEU 7 -10.492 4.055 -5.603 42 HA LEU 7 HA LEU 7 -9.995 1.276 -6.213 43 HB2 LEU 7 HB2 LEU 7 -8.841 3.200 -4.527 44 HB3 LEU 7 HB1 LEU 7 -9.519 1.974 -3.468 45 HG LEU 7 HG LEU 7 -7.142 1.541 -4.073 46 HD11 LEU 7 HD11 LEU 7 -7.475 -0.813 -4.400 47 HD12 LEU 7 HD12 LEU 7 -9.085 -0.535 -5.079 48 HD13 LEU 7 HD13 LEU 7 -8.777 -0.198 -3.375 49 HD21 LEU 7 HD21 LEU 7 -8.230 0.844 -6.794 50 HD22 LEU 7 HD22 LEU 7 -6.547 0.846 -6.264 51 HD23 LEU 7 HD23 LEU 7 -7.420 2.371 -6.447 52 H THR 8 HN THR 8 -12.185 3.140 -4.305 53 HA THR 8 HA THR 8 -13.130 1.197 -2.534 54 HB THR 8 HB THR 8 -14.349 3.672 -3.687 55 HG1 THR 8 HG1 THR 8 -12.607 3.650 -2.062 56 HG21 THR 8 HG21 THR 8 -16.246 2.234 -3.233 57 HG22 THR 8 HG22 THR 8 -16.150 3.486 -1.994 58 HG23 THR 8 HG23 THR 8 -15.605 1.849 -1.640 59 H SER 9 HN SER 9 -13.933 1.813 -5.887 60 HA SER 9 HA SER 9 -16.202 0.145 -6.056 61 HB2 SER 9 HB2 SER 9 -14.188 1.146 -8.055 62 HB3 SER 9 HB1 SER 9 -15.465 0.020 -8.538 63 HG SER 9 HG SER 9 -15.601 2.695 -7.773 64 H LYS 10 HN LYS 10 -12.759 -0.469 -6.114 65 HA LYS 10 HA LYS 10 -12.846 -3.204 -6.803 66 HB2 LYS 10 HB2 LYS 10 -10.776 -1.696 -6.707 67 HB3 LYS 10 HB1 LYS 10 -10.842 -1.900 -4.959 68 HG2 LYS 10 HG2 LYS 10 -9.268 -3.453 -5.669 69 HG3 LYS 10 HG1 LYS 10 -10.733 -4.394 -5.403 70 HD2 LYS 10 HD2 LYS 10 -9.966 -3.337 -8.107 71 HD3 LYS 10 HD1 LYS 10 -9.397 -4.900 -7.516 72 HE2 LYS 10 HE2 LYS 10 -11.945 -5.326 -7.085 73 HE3 LYS 10 HE1 LYS 10 -12.156 -4.023 -8.252 74 HZ1 LYS 10 HZ1 LYS 10 -10.891 -5.257 -9.865 75 HZ2 LYS 10 HZ2 LYS 10 -12.181 -6.198 -9.309 76 HZ3 LYS 10 HZ3 LYS 10 -10.614 -6.502 -8.755 77 H LEU 11 HN LEU 11 -12.431 -1.645 -3.641 78 HA LEU 11 HA LEU 11 -12.472 -4.021 -2.162 79 HB2 LEU 11 HB2 LEU 11 -13.258 -1.272 -1.216 80 HB3 LEU 11 HB1 LEU 11 -12.891 -2.633 -0.184 81 HG LEU 11 HG LEU 11 -10.894 -1.546 -0.081 82 HD11 LEU 11 HD11 LEU 11 -10.536 -3.780 -1.064 83 HD12 LEU 11 HD12 LEU 11 -9.277 -2.619 -1.498 84 HD13 LEU 11 HD13 LEU 11 -10.534 -3.037 -2.669 85 HD21 LEU 11 HD21 LEU 11 -11.032 -0.730 -2.970 86 HD22 LEU 11 HD22 LEU 11 -9.989 -0.086 -1.695 87 HD23 LEU 11 HD23 LEU 11 -11.722 0.239 -1.665 88 H ALA 12 HN ALA 12 -15.049 -2.069 -3.370 89 HA ALA 12 HA ALA 12 -17.198 -2.944 -1.846 90 HB1 ALA 12 HB1 ALA 12 -17.366 -1.164 -3.495 91 HB2 ALA 12 HB2 ALA 12 -18.566 -2.415 -3.826 92 HB3 ALA 12 HB3 ALA 12 -17.093 -2.323 -4.797 93 H GLY 13 HN GLY 13 -15.379 -4.574 -4.323 94 HA2 GLY 13 HA2 GLY 13 -17.311 -6.737 -4.564 95 HA3 GLY 13 HA1 GLY 13 -15.800 -6.571 -5.451 96 H LEU 14 HN LEU 14 -14.752 -5.980 -2.496 97 HA LEU 14 HA LEU 14 -14.096 -8.799 -2.025 98 HB2 LEU 14 HB2 LEU 14 -12.668 -6.283 -1.287 99 HB3 LEU 14 HB1 LEU 14 -12.202 -7.834 -0.695 100 HG LEU 14 HG LEU 14 -10.758 -7.763 -2.381 101 HD11 LEU 14 HD11 LEU 14 -11.546 -8.820 -4.407 102 HD12 LEU 14 HD12 LEU 14 -13.215 -8.440 -3.969 103 HD13 LEU 14 HD13 LEU 14 -12.275 -9.561 -2.977 104 HD21 LEU 14 HD21 LEU 14 -12.638 -5.915 -3.809 105 HD22 LEU 14 HD22 LEU 14 -11.018 -6.349 -4.355 106 HD23 LEU 14 HD23 LEU 14 -11.234 -5.461 -2.842 107 H THR 15 HN THR 15 -13.551 -9.314 0.172 108 HA THR 15 HA THR 15 -15.179 -7.970 2.204 109 HB THR 15 HB THR 15 -14.806 -9.952 3.546 110 HG1 THR 15 HG1 THR 15 -13.449 -11.667 2.528 111 HG21 THR 15 HG21 THR 15 -15.292 -10.743 0.667 112 HG22 THR 15 HG22 THR 15 -16.519 -10.179 1.807 113 HG23 THR 15 HG23 THR 15 -15.703 -11.719 2.081 114 H ALA 16 HN ALA 16 -13.892 -7.697 4.368 115 HA ALA 16 HA ALA 16 -11.823 -5.925 4.017 116 HB1 ALA 16 HB1 ALA 16 -12.155 -7.761 6.389 117 HB2 ALA 16 HB2 ALA 16 -13.029 -6.253 6.135 118 HB3 ALA 16 HB3 ALA 16 -11.281 -6.228 6.365 119 H THR 17 HN THR 17 -11.615 -9.416 4.282 120 HA THR 17 HA THR 17 -8.785 -9.509 4.463 121 HB THR 17 HB THR 17 -10.828 -11.623 3.765 122 HG1 THR 17 HG1 THR 17 -10.068 -10.497 6.066 123 HG21 THR 17 HG21 THR 17 -8.663 -12.199 2.799 124 HG22 THR 17 HG22 THR 17 -9.061 -13.261 4.151 125 HG23 THR 17 HG23 THR 17 -7.894 -11.957 4.367 126 H GLU 18 HN GLU 18 -11.051 -9.837 1.689 127 HA GLU 18 HA GLU 18 -8.890 -10.285 -0.093 128 HB2 GLU 18 HB2 GLU 18 -11.751 -9.512 -0.565 129 HB3 GLU 18 HB1 GLU 18 -10.609 -9.971 -1.807 130 HG2 GLU 18 HG2 GLU 18 -10.410 -12.177 -0.809 131 HG3 GLU 18 HG1 GLU 18 -11.537 -11.700 0.455 132 H GLN 19 HN GLN 19 -10.638 -7.523 1.113 133 HA GLN 19 HA GLN 19 -9.749 -5.582 -0.718 134 HB2 GLN 19 HB2 GLN 19 -10.457 -5.355 2.201 135 HB3 GLN 19 HB1 GLN 19 -10.291 -3.994 1.105 136 HG2 GLN 19 HG2 GLN 19 -12.137 -4.744 -0.185 137 HG3 GLN 19 HG1 GLN 19 -12.234 -6.232 0.728 138 HE21 GLN 19 HE21 GLN 19 -14.284 -4.318 0.289 139 HE22 GLN 19 HE22 GLN 19 -14.767 -3.739 1.849 140 H ARG 20 HN ARG 20 -8.517 -6.666 2.413 141 HA ARG 20 HA ARG 20 -6.210 -5.076 2.420 142 HB2 ARG 20 HB2 ARG 20 -5.442 -6.415 4.178 143 HB3 ARG 20 HB1 ARG 20 -7.189 -6.342 4.328 144 HG2 ARG 20 HG2 ARG 20 -7.391 -8.453 3.231 145 HG3 ARG 20 HG1 ARG 20 -5.628 -8.552 3.140 146 HD2 ARG 20 HD2 ARG 20 -5.577 -8.315 5.645 147 HD3 ARG 20 HD1 ARG 20 -7.323 -8.511 5.617 148 HE ARG 20 HE ARG 20 -5.983 -10.638 4.268 149 HH11 ARG 20 HH11 ARG 20 -6.953 -9.439 7.409 150 HH12 ARG 20 HH12 ARG 20 -6.908 -11.000 8.164 151 HH21 ARG 20 HH21 ARG 20 -5.903 -12.695 5.256 152 HH22 ARG 20 HH22 ARG 20 -6.294 -12.853 6.938 153 H ALA 21 HN ALA 21 -6.989 -8.109 0.978 154 HA ALA 21 HA ALA 21 -4.339 -8.853 0.273 155 HB1 ALA 21 HB1 ALA 21 -6.177 -10.469 0.488 156 HB2 ALA 21 HB2 ALA 21 -5.351 -10.583 -1.067 157 HB3 ALA 21 HB3 ALA 21 -6.918 -9.783 -0.958 158 H VAL 22 HN VAL 22 -6.915 -7.212 -1.508 159 HA VAL 22 HA VAL 22 -5.591 -7.361 -4.002 160 HB VAL 22 HB VAL 22 -7.170 -5.571 -4.765 161 HG11 VAL 22 HG11 VAL 22 -7.688 -7.984 -4.883 162 HG12 VAL 22 HG12 VAL 22 -9.124 -6.977 -4.697 163 HG13 VAL 22 HG13 VAL 22 -8.482 -7.861 -3.312 164 HG21 VAL 22 HG21 VAL 22 -7.463 -4.344 -2.706 165 HG22 VAL 22 HG22 VAL 22 -8.166 -5.759 -1.922 166 HG23 VAL 22 HG23 VAL 22 -9.023 -4.966 -3.246 167 H THR 23 HN THR 23 -5.601 -4.802 -1.514 168 HA THR 23 HA THR 23 -3.620 -3.467 -3.167 169 HB THR 23 HB THR 23 -5.146 -1.967 -2.293 170 HG1 THR 23 HG1 THR 23 -2.674 -1.750 -0.948 171 HG21 THR 23 HG21 THR 23 -4.340 -2.738 0.481 172 HG22 THR 23 HG22 THR 23 -5.836 -3.262 -0.287 173 HG23 THR 23 HG23 THR 23 -5.561 -1.546 0.034 174 H ARG 24 HN ARG 24 -3.627 -5.751 -0.665 175 HA ARG 24 HA ARG 24 -0.963 -5.293 0.225 176 HB2 ARG 24 HB2 ARG 24 -2.342 -6.986 1.303 177 HB3 ARG 24 HB1 ARG 24 -2.520 -7.851 -0.211 178 HG2 ARG 24 HG2 ARG 24 0.122 -7.929 -0.028 179 HG3 ARG 24 HG1 ARG 24 -0.263 -7.794 1.691 180 HD2 ARG 24 HD2 ARG 24 -1.757 -9.712 1.511 181 HD3 ARG 24 HD1 ARG 24 -1.396 -9.828 -0.209 182 HE ARG 24 HE ARG 24 0.669 -10.201 1.859 183 HH11 ARG 24 HH11 ARG 24 -0.901 -11.161 -1.121 184 HH12 ARG 24 HH12 ARG 24 0.118 -12.543 -1.357 185 HH21 ARG 24 HH21 ARG 24 2.016 -12.012 1.532 186 HH22 ARG 24 HH22 ARG 24 1.784 -13.016 0.137 187 H LYS 25 HN LYS 25 -2.447 -6.109 -2.665 188 HA LYS 25 HA LYS 25 0.005 -6.919 -3.959 189 HB2 LYS 25 HB2 LYS 25 -1.698 -8.280 -4.703 190 HB3 LYS 25 HB1 LYS 25 -2.918 -7.035 -4.525 191 HG2 LYS 25 HG2 LYS 25 -2.611 -7.594 -6.844 192 HG3 LYS 25 HG1 LYS 25 -2.106 -5.939 -6.517 193 HD2 LYS 25 HD2 LYS 25 0.261 -6.897 -6.301 194 HD3 LYS 25 HD1 LYS 25 -0.395 -8.360 -7.038 195 HE2 LYS 25 HE2 LYS 25 -0.402 -5.594 -8.237 196 HE3 LYS 25 HE1 LYS 25 0.638 -6.932 -8.712 197 HZ1 LYS 25 HZ1 LYS 25 -2.318 -6.842 -8.967 198 HZ2 LYS 25 HZ2 LYS 25 -1.345 -8.166 -9.373 199 HZ3 LYS 25 HZ3 LYS 25 -1.198 -6.718 -10.228 200 H LEU 26 HN LEU 26 -2.401 -4.263 -3.821 201 HA LEU 26 HA LEU 26 -1.279 -2.771 -5.934 202 HB2 LEU 26 HB2 LEU 26 -3.547 -2.401 -5.229 203 HB3 LEU 26 HB1 LEU 26 -3.016 -1.958 -3.625 204 HG LEU 26 HG LEU 26 -3.783 -0.112 -5.219 205 HD11 LEU 26 HD11 LEU 26 -2.690 0.089 -3.003 206 HD12 LEU 26 HD12 LEU 26 -2.417 1.448 -4.102 207 HD13 LEU 26 HD13 LEU 26 -1.151 0.243 -3.852 208 HD21 LEU 26 HD21 LEU 26 -2.441 -0.790 -7.140 209 HD22 LEU 26 HD22 LEU 26 -0.978 -0.447 -6.218 210 HD23 LEU 26 HD23 LEU 26 -2.092 0.863 -6.627 211 H VAL 27 HN VAL 27 -0.915 -2.334 -2.375 212 HA VAL 27 HA VAL 27 0.922 -0.241 -2.527 213 HB VAL 27 HB VAL 27 -0.017 -0.786 -0.365 214 HG11 VAL 27 HG11 VAL 27 -0.300 -3.135 -0.473 215 HG12 VAL 27 HG12 VAL 27 0.807 -2.814 0.865 216 HG13 VAL 27 HG13 VAL 27 1.428 -3.400 -0.680 217 HG21 VAL 27 HG21 VAL 27 1.998 -0.783 1.017 218 HG22 VAL 27 HG22 VAL 27 2.191 0.281 -0.377 219 HG23 VAL 27 HG23 VAL 27 2.958 -1.312 -0.367 220 H LEU 28 HN LEU 28 1.283 -3.642 -2.718 221 HA LEU 28 HA LEU 28 4.062 -3.916 -2.771 222 HB2 LEU 28 HB2 LEU 28 1.931 -5.566 -2.764 223 HB3 LEU 28 HB1 LEU 28 2.371 -5.670 -4.453 224 HG LEU 28 HG LEU 28 4.486 -6.624 -3.929 225 HD11 LEU 28 HD11 LEU 28 5.128 -6.992 -1.549 226 HD12 LEU 28 HD12 LEU 28 3.803 -5.912 -1.093 227 HD13 LEU 28 HD13 LEU 28 5.145 -5.308 -2.069 228 HD21 LEU 28 HD21 LEU 28 3.772 -8.596 -2.562 229 HD22 LEU 28 HD22 LEU 28 2.689 -8.205 -3.898 230 HD23 LEU 28 HD23 LEU 28 2.250 -7.751 -2.247 231 H ASP 29 HN ASP 29 1.687 -3.481 -5.300 232 HA ASP 29 HA ASP 29 3.449 -3.691 -7.514 233 HB2 ASP 29 HB2 ASP 29 0.915 -3.954 -7.504 234 HB3 ASP 29 HB1 ASP 29 0.825 -2.206 -7.428 235 H GLN 30 HN GLN 30 2.064 -0.990 -5.710 236 HA GLN 30 HA GLN 30 3.228 1.103 -7.132 237 HB2 GLN 30 HB2 GLN 30 2.628 0.944 -4.200 238 HB3 GLN 30 HB1 GLN 30 2.802 2.413 -5.143 239 HG2 GLN 30 HG2 GLN 30 0.612 0.362 -5.372 240 HG3 GLN 30 HG1 GLN 30 0.493 2.012 -4.775 241 HE21 GLN 30 HE21 GLN 30 0.808 -0.005 -7.564 242 HE22 GLN 30 HE22 GLN 30 0.447 1.207 -8.743 243 H ALA 31 HN ALA 31 4.309 -0.622 -4.263 244 HA ALA 31 HA ALA 31 6.696 0.800 -3.805 245 HB1 ALA 31 HB1 ALA 31 7.329 -1.096 -2.436 246 HB2 ALA 31 HB2 ALA 31 6.105 -2.103 -3.221 247 HB3 ALA 31 HB3 ALA 31 5.613 -0.746 -2.199 248 H ALA 32 HN ALA 32 5.800 -1.735 -5.918 249 HA ALA 32 HA ALA 32 8.377 -2.554 -6.731 250 HB1 ALA 32 HB1 ALA 32 6.756 -4.111 -7.223 251 HB2 ALA 32 HB2 ALA 32 6.859 -3.294 -8.786 252 HB3 ALA 32 HB3 ALA 32 5.550 -2.889 -7.662 253 H SER 33 HN SER 33 5.975 -0.289 -7.984 254 HA SER 33 HA SER 33 7.338 0.505 -10.299 255 HB2 SER 33 HB2 SER 33 5.013 1.020 -10.012 256 HB3 SER 33 HB1 SER 33 5.331 1.888 -8.513 257 HG SER 33 HG SER 33 6.628 2.795 -10.814 258 H VAL 34 HN VAL 34 7.467 1.608 -6.976 259 HA VAL 34 HA VAL 34 9.113 3.851 -7.281 260 HB VAL 34 HB VAL 34 9.148 1.970 -4.939 261 HG11 VAL 34 HG11 VAL 34 9.633 4.924 -5.231 262 HG12 VAL 34 HG12 VAL 34 10.802 3.682 -4.786 263 HG13 VAL 34 HG13 VAL 34 9.491 4.098 -3.682 264 HG21 VAL 34 HG21 VAL 34 6.867 2.409 -5.530 265 HG22 VAL 34 HG22 VAL 34 7.171 4.149 -5.505 266 HG23 VAL 34 HG23 VAL 34 7.295 3.203 -4.022 267 H LEU 35 HN LEU 35 9.817 0.606 -6.166 268 HA LEU 35 HA LEU 35 12.528 1.003 -5.775 269 HB2 LEU 35 HB2 LEU 35 10.565 -1.095 -5.655 270 HB3 LEU 35 HB1 LEU 35 12.162 -1.703 -6.059 271 HG LEU 35 HG LEU 35 12.971 -1.292 -3.960 272 HD11 LEU 35 HD11 LEU 35 11.040 1.024 -3.770 273 HD12 LEU 35 HD12 LEU 35 12.797 1.109 -3.937 274 HD13 LEU 35 HD13 LEU 35 12.084 0.488 -2.449 275 HD21 LEU 35 HD21 LEU 35 11.013 -1.499 -2.321 276 HD22 LEU 35 HD22 LEU 35 11.250 -2.772 -3.516 277 HD23 LEU 35 HD23 LEU 35 10.004 -1.546 -3.776 278 H GLY 36 HN GLY 36 10.819 -0.145 -8.619 279 HA2 GLY 36 HA2 GLY 36 12.263 0.324 -10.680 280 HA3 GLY 36 HA1 GLY 36 13.424 -0.702 -9.852 281 H TYR 37 HN TYR 37 10.186 -1.548 -9.428 282 HA TYR 37 HA TYR 37 10.692 -3.976 -11.003 283 HB2 TYR 37 HB2 TYR 37 8.675 -3.616 -8.794 284 HB3 TYR 37 HB1 TYR 37 9.295 -5.116 -9.439 285 HD1 TYR 37 HD1 TYR 37 9.129 -4.206 -6.546 286 HD2 TYR 37 HD2 TYR 37 12.267 -4.050 -9.394 287 HE1 TYR 37 HE1 TYR 37 10.756 -4.273 -4.731 288 HE2 TYR 37 HE2 TYR 37 13.923 -4.104 -7.595 289 HH TYR 37 HH TYR 37 14.104 -3.631 -5.240 290 H ALA 38 HN ALA 38 8.700 -5.030 -11.821 291 HA ALA 38 HA ALA 38 6.525 -3.174 -12.465 292 HB1 ALA 38 HB1 ALA 38 8.118 -3.250 -14.356 293 HB2 ALA 38 HB2 ALA 38 6.521 -3.871 -14.775 294 HB3 ALA 38 HB3 ALA 38 7.852 -4.990 -14.472 295 H SER 39 HN SER 39 7.387 -5.938 -11.022 296 HA SER 39 HA SER 39 4.778 -7.121 -11.217 297 HB2 SER 39 HB2 SER 39 7.205 -8.609 -12.249 298 HB3 SER 39 HB1 SER 39 5.641 -9.358 -11.923 299 HG SER 39 HG SER 39 5.364 -7.156 -13.481 300 H THR 40 HN THR 40 6.483 -5.934 -9.214 301 HA THR 40 HA THR 40 7.330 -6.214 -7.124 302 HB THR 40 HB THR 40 5.897 -7.549 -5.617 303 HG1 THR 40 HG1 THR 40 5.189 -9.293 -6.687 304 HG21 THR 40 HG21 THR 40 4.444 -5.888 -7.673 305 HG22 THR 40 HG22 THR 40 5.201 -5.302 -6.189 306 HG23 THR 40 HG23 THR 40 3.782 -6.349 -6.104 307 H GLU 41 HN GLU 41 9.019 -7.451 -8.726 308 HA GLU 41 HA GLU 41 9.334 -10.209 -8.547 309 HB2 GLU 41 HB2 GLU 41 11.663 -9.786 -9.319 310 HB3 GLU 41 HB1 GLU 41 10.433 -8.971 -10.274 311 HG2 GLU 41 HG2 GLU 41 10.893 -6.917 -8.874 312 HG3 GLU 41 HG1 GLU 41 12.301 -7.775 -8.252 313 H SER 42 HN SER 42 10.947 -7.697 -6.576 314 HA SER 42 HA SER 42 11.864 -9.868 -4.820 315 HB2 SER 42 HB2 SER 42 13.709 -8.837 -6.119 316 HB3 SER 42 HB1 SER 42 13.317 -7.275 -5.406 317 HG SER 42 HG SER 42 13.776 -8.226 -3.340 318 H LEU 43 HN LEU 43 9.411 -8.572 -4.489 319 HA LEU 43 HA LEU 43 9.881 -6.916 -2.121 320 HB2 LEU 43 HB2 LEU 43 7.443 -7.372 -3.811 321 HB3 LEU 43 HB1 LEU 43 7.431 -6.452 -2.318 322 HG LEU 43 HG LEU 43 9.147 -5.749 -4.689 323 HD11 LEU 43 HD11 LEU 43 6.825 -5.610 -5.292 324 HD12 LEU 43 HD12 LEU 43 7.494 -3.990 -5.086 325 HD13 LEU 43 HD13 LEU 43 6.473 -4.695 -3.828 326 HD21 LEU 43 HD21 LEU 43 9.970 -4.900 -2.584 327 HD22 LEU 43 HD22 LEU 43 8.367 -4.279 -2.187 328 HD23 LEU 43 HD23 LEU 43 9.272 -3.584 -3.531 329 H ASP 44 HN ASP 44 8.432 -7.221 -0.316 330 HA ASP 44 HA ASP 44 7.296 -9.893 -0.024 331 HB2 ASP 44 HB2 ASP 44 9.750 -9.547 1.023 332 HB3 ASP 44 HB1 ASP 44 8.798 -8.828 2.315 333 H THR 45 HN THR 45 5.512 -9.909 1.305 334 HA THR 45 HA THR 45 4.534 -7.278 2.083 335 HB THR 45 HB THR 45 2.413 -8.638 2.564 336 HG1 THR 45 HG1 THR 45 3.443 -10.526 0.761 337 HG21 THR 45 HG21 THR 45 1.875 -8.763 0.124 338 HG22 THR 45 HG22 THR 45 3.557 -8.340 -0.201 339 HG23 THR 45 HG23 THR 45 2.514 -7.215 0.668 340 H HIS 46 HN HIS 46 6.131 -9.894 3.428 341 HA HIS 46 HA HIS 46 5.018 -9.391 6.097 342 HB2 HIS 46 HB2 HIS 46 6.684 -11.676 5.035 343 HB3 HIS 46 HB1 HIS 46 6.262 -11.482 6.727 344 HD1 HIS 46 HD1 HIS 46 4.445 -13.019 7.322 345 HD2 HIS 46 HD2 HIS 46 4.010 -11.540 3.466 346 HE1 HIS 46 HE1 HIS 46 2.324 -14.044 6.446 347 HE2 HIS 46 HE2 HIS 46 2.193 -13.295 4.046 348 H GLU 47 HN GLU 47 7.420 -8.315 4.167 349 HA GLU 47 HA GLU 47 9.229 -7.858 6.436 350 HB2 GLU 47 HB2 GLU 47 11.020 -8.363 5.184 351 HB3 GLU 47 HB1 GLU 47 9.881 -9.140 4.101 352 HG2 GLU 47 HG2 GLU 47 9.744 -6.990 2.833 353 HG3 GLU 47 HG1 GLU 47 11.053 -6.378 3.855 354 H SER 48 HN SER 48 10.202 -5.746 6.504 355 HA SER 48 HA SER 48 8.085 -3.849 5.918 356 HB2 SER 48 HB2 SER 48 10.603 -3.301 7.478 357 HB3 SER 48 HB1 SER 48 9.031 -2.517 7.609 358 HG SER 48 HG SER 48 8.518 -5.008 8.052 359 H PHE 49 HN PHE 49 8.356 -1.903 4.911 360 HA PHE 49 HA PHE 49 9.696 -1.867 2.500 361 HB2 PHE 49 HB2 PHE 49 8.752 0.488 4.120 362 HB3 PHE 49 HB1 PHE 49 9.189 0.545 2.418 363 HD1 PHE 49 HD1 PHE 49 7.724 -0.318 0.735 364 HD2 PHE 49 HD2 PHE 49 6.744 -0.642 4.855 365 HE1 PHE 49 HE1 PHE 49 5.405 -0.880 0.137 366 HE2 PHE 49 HE2 PHE 49 4.435 -1.200 4.267 367 HZ PHE 49 HZ PHE 49 3.762 -1.320 1.914 368 H LYS 50 HN LYS 50 10.778 -0.715 5.587 369 HA LYS 50 HA LYS 50 13.077 0.607 5.044 370 HB2 LYS 50 HB2 LYS 50 12.127 -0.101 7.271 371 HB3 LYS 50 HB1 LYS 50 12.884 -1.662 7.003 372 HG2 LYS 50 HG2 LYS 50 14.169 -0.134 8.467 373 HG3 LYS 50 HG1 LYS 50 15.053 -0.728 7.067 374 HD2 LYS 50 HD2 LYS 50 15.521 1.625 7.399 375 HD3 LYS 50 HD1 LYS 50 14.606 1.403 5.911 376 HE2 LYS 50 HE2 LYS 50 12.555 2.056 7.079 377 HE3 LYS 50 HE1 LYS 50 13.473 2.275 8.568 378 HZ1 LYS 50 HZ1 LYS 50 13.109 4.380 7.455 379 HZ2 LYS 50 HZ2 LYS 50 13.858 3.807 6.052 380 HZ3 LYS 50 HZ3 LYS 50 14.757 4.008 7.467 381 H ASP 51 HN ASP 51 12.701 -2.882 5.185 382 HA ASP 51 HA ASP 51 15.290 -3.501 4.237 383 HB2 ASP 51 HB2 ASP 51 13.780 -5.046 5.523 384 HB3 ASP 51 HB1 ASP 51 12.857 -5.256 4.043 385 H LEU 52 HN LEU 52 12.277 -2.804 2.657 386 HA LEU 52 HA LEU 52 12.923 -3.832 0.090 387 HB2 LEU 52 HB2 LEU 52 10.869 -1.928 1.138 388 HB3 LEU 52 HB1 LEU 52 11.047 -2.163 -0.574 389 HG LEU 52 HG LEU 52 10.519 -4.556 -0.308 390 HD11 LEU 52 HD11 LEU 52 9.581 -5.304 1.846 391 HD12 LEU 52 HD12 LEU 52 10.147 -3.800 2.572 392 HD13 LEU 52 HD13 LEU 52 11.308 -4.953 1.915 393 HD21 LEU 52 HD21 LEU 52 8.708 -3.037 -0.792 394 HD22 LEU 52 HD22 LEU 52 8.520 -2.682 0.926 395 HD23 LEU 52 HD23 LEU 52 8.167 -4.302 0.318 396 H GLY 53 HN GLY 53 13.780 -1.046 1.827 397 HA2 GLY 53 HA2 GLY 53 15.736 0.111 1.111 398 HA3 GLY 53 HA1 GLY 53 15.200 -0.069 -0.548 399 H PHE 54 HN PHE 54 12.623 0.774 1.498 400 HA PHE 54 HA PHE 54 12.497 3.353 0.315 401 HB2 PHE 54 HB2 PHE 54 10.765 2.001 2.385 402 HB3 PHE 54 HB1 PHE 54 10.454 3.611 1.745 403 HD1 PHE 54 HD1 PHE 54 9.657 3.938 -0.477 404 HD2 PHE 54 HD2 PHE 54 10.603 0.060 0.959 405 HE1 PHE 54 HE1 PHE 54 8.458 2.959 -2.378 406 HE2 PHE 54 HE2 PHE 54 9.424 -0.944 -0.927 407 HZ PHE 54 HZ PHE 54 8.481 0.546 -2.730 408 H ASP 55 HN ASP 55 12.198 5.331 1.463 409 HA ASP 55 HA ASP 55 13.412 5.740 4.026 410 HB2 ASP 55 HB2 ASP 55 15.308 5.371 2.205 411 HB3 ASP 55 HB1 ASP 55 14.903 7.026 1.761 412 H SER 56 HN SER 56 14.081 8.455 3.698 413 HA SER 56 HA SER 56 11.473 9.636 3.372 414 HB2 SER 56 HB2 SER 56 14.140 11.007 3.801 415 HB3 SER 56 HB1 SER 56 12.541 11.694 4.090 416 HG SER 56 HG SER 56 12.284 9.870 5.619 417 H LEU 57 HN LEU 57 12.278 8.451 1.040 418 HA LEU 57 HA LEU 57 12.287 10.640 -0.871 419 HB2 LEU 57 HB2 LEU 57 14.020 8.198 -1.074 420 HB3 LEU 57 HB1 LEU 57 13.960 9.516 -2.226 421 HG LEU 57 HG LEU 57 14.875 9.830 0.622 422 HD11 LEU 57 HD11 LEU 57 16.346 8.256 -0.485 423 HD12 LEU 57 HD12 LEU 57 17.166 9.806 -0.286 424 HD13 LEU 57 HD13 LEU 57 16.519 9.345 -1.861 425 HD21 LEU 57 HD21 LEU 57 15.898 11.889 -0.256 426 HD22 LEU 57 HD22 LEU 57 14.143 11.877 -0.434 427 HD23 LEU 57 HD23 LEU 57 15.173 11.559 -1.829 428 H THR 58 HN THR 58 12.618 7.133 -0.924 429 HA THR 58 HA THR 58 10.841 6.781 -3.097 430 HB THR 58 HB THR 58 11.076 4.305 -2.299 431 HG1 THR 58 HG1 THR 58 13.404 4.687 -1.112 432 HG21 THR 58 HG21 THR 58 13.284 4.165 -3.342 433 HG22 THR 58 HG22 THR 58 13.477 5.911 -3.174 434 HG23 THR 58 HG23 THR 58 12.228 5.259 -4.235 435 H ALA 59 HN ALA 59 10.540 6.298 0.394 436 HA ALA 59 HA ALA 59 8.023 5.151 0.476 437 HB1 ALA 59 HB1 ALA 59 9.129 7.196 2.413 438 HB2 ALA 59 HB2 ALA 59 9.516 5.477 2.441 439 HB3 ALA 59 HB3 ALA 59 7.860 6.013 2.740 440 H LEU 60 HN LEU 60 9.046 8.433 -0.014 441 HA LEU 60 HA LEU 60 6.562 9.693 0.378 442 HB2 LEU 60 HB2 LEU 60 9.054 10.493 -1.105 443 HB3 LEU 60 HB1 LEU 60 7.659 11.549 -0.976 444 HG LEU 60 HG LEU 60 9.428 12.100 0.672 445 HD11 LEU 60 HD11 LEU 60 8.000 12.226 2.616 446 HD12 LEU 60 HD12 LEU 60 6.912 11.032 1.915 447 HD13 LEU 60 HD13 LEU 60 7.089 12.615 1.156 448 HD21 LEU 60 HD21 LEU 60 9.790 10.630 2.587 449 HD22 LEU 60 HD22 LEU 60 10.309 9.870 1.081 450 HD23 LEU 60 HD23 LEU 60 8.781 9.398 1.829 451 H GLU 61 HN GLU 61 8.234 8.634 -2.585 452 HA GLU 61 HA GLU 61 6.013 9.370 -4.237 453 HB2 GLU 61 HB2 GLU 61 7.230 7.829 -5.926 454 HB3 GLU 61 HB1 GLU 61 8.000 9.338 -5.437 455 HG2 GLU 61 HG2 GLU 61 9.336 8.067 -3.799 456 HG3 GLU 61 HG1 GLU 61 8.612 6.584 -4.414 457 H LEU 62 HN LEU 62 6.969 6.442 -2.557 458 HA LEU 62 HA LEU 62 5.018 4.732 -3.722 459 HB2 LEU 62 HB2 LEU 62 6.779 3.784 -2.394 460 HB3 LEU 62 HB1 LEU 62 6.287 4.718 -0.999 461 HG LEU 62 HG LEU 62 4.171 3.490 -0.904 462 HD11 LEU 62 HD11 LEU 62 5.319 1.930 -3.199 463 HD12 LEU 62 HD12 LEU 62 3.904 2.982 -3.239 464 HD13 LEU 62 HD13 LEU 62 3.875 1.495 -2.288 465 HD21 LEU 62 HD21 LEU 62 6.543 1.657 -1.023 466 HD22 LEU 62 HD22 LEU 62 5.065 1.438 -0.081 467 HD23 LEU 62 HD23 LEU 62 6.180 2.749 0.311 468 H ARG 63 HN ARG 63 5.040 6.743 -0.835 469 HA ARG 63 HA ARG 63 2.468 6.253 0.108 470 HB2 ARG 63 HB2 ARG 63 3.897 7.509 1.490 471 HB3 ARG 63 HB1 ARG 63 4.372 8.582 0.182 472 HG2 ARG 63 HG2 ARG 63 1.812 9.237 0.254 473 HG3 ARG 63 HG1 ARG 63 1.974 8.674 1.921 474 HD2 ARG 63 HD2 ARG 63 2.378 11.094 1.693 475 HD3 ARG 63 HD1 ARG 63 3.780 10.226 2.308 476 HE ARG 63 HE ARG 63 4.435 10.300 -0.227 477 HH11 ARG 63 HH11 ARG 63 2.986 12.830 1.712 478 HH12 ARG 63 HH12 ARG 63 3.623 14.114 0.735 479 HH21 ARG 63 HH21 ARG 63 5.280 12.003 -1.515 480 HH22 ARG 63 HH22 ARG 63 4.938 13.647 -1.081 481 H ASP 64 HN ASP 64 3.786 8.588 -2.158 482 HA ASP 64 HA ASP 64 1.488 9.886 -2.968 483 HB2 ASP 64 HB2 ASP 64 3.896 10.427 -3.530 484 HB3 ASP 64 HB1 ASP 64 3.782 9.186 -4.769 485 H HIS 65 HN HIS 65 2.960 6.893 -4.125 486 HA HIS 65 HA HIS 65 1.220 6.378 -6.256 487 HB2 HIS 65 HB2 HIS 65 2.811 4.543 -4.508 488 HB3 HIS 65 HB1 HIS 65 1.913 3.993 -5.901 489 HD1 HIS 65 HD1 HIS 65 2.877 6.676 -7.587 490 HD2 HIS 65 HD2 HIS 65 5.168 3.810 -5.676 491 HE1 HIS 65 HE1 HIS 65 5.162 6.789 -8.656 492 HE2 HIS 65 HE2 HIS 65 6.550 5.134 -7.407 493 H LEU 66 HN LEU 66 1.023 5.478 -2.808 494 HA LEU 66 HA LEU 66 -1.193 3.745 -3.141 495 HB2 LEU 66 HB2 LEU 66 0.042 5.165 -0.832 496 HB3 LEU 66 HB1 LEU 66 -1.491 4.356 -0.620 497 HG LEU 66 HG LEU 66 -0.574 2.244 -0.821 498 HD11 LEU 66 HD11 LEU 66 0.511 2.542 -2.975 499 HD12 LEU 66 HD12 LEU 66 1.590 1.740 -1.835 500 HD13 LEU 66 HD13 LEU 66 1.811 3.451 -2.208 501 HD21 LEU 66 HD21 LEU 66 0.258 3.257 1.180 502 HD22 LEU 66 HD22 LEU 66 1.598 3.990 0.297 503 HD23 LEU 66 HD23 LEU 66 1.521 2.238 0.490 504 H GLN 67 HN GLN 67 -0.911 7.153 -2.375 505 HA GLN 67 HA GLN 67 -3.705 7.573 -1.911 506 HB2 GLN 67 HB2 GLN 67 -1.781 9.700 -2.796 507 HB3 GLN 67 HB1 GLN 67 -3.181 9.863 -1.742 508 HG2 GLN 67 HG2 GLN 67 -2.098 8.904 0.056 509 HG3 GLN 67 HG1 GLN 67 -0.906 8.125 -0.990 510 HE21 GLN 67 HE21 GLN 67 -0.276 10.389 -2.540 511 HE22 GLN 67 HE22 GLN 67 0.630 11.460 -1.552 512 H THR 68 HN THR 68 -1.554 7.805 -4.669 513 HA THR 68 HA THR 68 -3.405 8.855 -6.485 514 HB THR 68 HB THR 68 -0.809 7.406 -6.543 515 HG1 THR 68 HG1 THR 68 -0.276 9.434 -6.478 516 HG21 THR 68 HG21 THR 68 -0.704 7.518 -8.976 517 HG22 THR 68 HG22 THR 68 -2.370 8.097 -9.031 518 HG23 THR 68 HG23 THR 68 -2.017 6.471 -8.444 519 H ALA 69 HN ALA 69 -2.293 5.643 -5.746 520 HA ALA 69 HA ALA 69 -3.910 4.117 -7.369 521 HB1 ALA 69 HB1 ALA 69 -3.454 2.305 -5.800 522 HB2 ALA 69 HB2 ALA 69 -2.875 3.490 -4.625 523 HB3 ALA 69 HB3 ALA 69 -2.009 3.262 -6.143 524 H THR 70 HN THR 70 -4.516 5.050 -3.976 525 HA THR 70 HA THR 70 -7.101 3.703 -4.083 526 HB THR 70 HB THR 70 -7.190 4.079 -1.673 527 HG1 THR 70 HG1 THR 70 -4.651 5.322 -1.756 528 HG21 THR 70 HG21 THR 70 -4.403 3.271 -2.482 529 HG22 THR 70 HG22 THR 70 -5.816 2.212 -2.565 530 HG23 THR 70 HG23 THR 70 -5.249 2.810 -1.005 531 H GLY 71 HN GLY 71 -5.768 6.907 -3.805 532 HA2 GLY 71 HA2 GLY 71 -6.896 8.886 -4.404 533 HA3 GLY 71 HA1 GLY 71 -8.431 8.049 -4.198 534 H LEU 72 HN LEU 72 -6.539 7.222 -1.674 535 HA LEU 72 HA LEU 72 -8.159 8.885 0.090 536 HB2 LEU 72 HB2 LEU 72 -6.561 6.362 0.441 537 HB3 LEU 72 HB1 LEU 72 -7.119 7.270 1.826 538 HG LEU 72 HG LEU 72 -8.559 5.326 1.250 539 HD11 LEU 72 HD11 LEU 72 -9.429 7.303 2.464 540 HD12 LEU 72 HD12 LEU 72 -10.651 6.413 1.557 541 HD13 LEU 72 HD13 LEU 72 -10.016 7.936 0.924 542 HD21 LEU 72 HD21 LEU 72 -8.348 5.437 -1.189 543 HD22 LEU 72 HD22 LEU 72 -9.303 6.915 -1.194 544 HD23 LEU 72 HD23 LEU 72 -10.028 5.399 -0.661 545 H ASN 73 HN ASN 73 -6.571 8.943 2.361 546 HA ASN 73 HA ASN 73 -4.468 10.791 1.449 547 HB2 ASN 73 HB2 ASN 73 -6.512 11.929 2.326 548 HB3 ASN 73 HB1 ASN 73 -6.237 11.143 3.877 549 HD21 ASN 73 HD21 ASN 73 -4.582 11.843 5.189 550 HD22 ASN 73 HD22 ASN 73 -3.722 13.317 4.904 551 H LEU 74 HN LEU 74 -2.733 9.464 1.763 552 HA LEU 74 HA LEU 74 -2.410 8.187 4.350 553 HB2 LEU 74 HB2 LEU 74 -0.888 7.897 1.768 554 HB3 LEU 74 HB1 LEU 74 -0.485 7.048 3.253 555 HG LEU 74 HG LEU 74 -2.990 6.244 3.093 556 HD11 LEU 74 HD11 LEU 74 -3.507 7.653 1.115 557 HD12 LEU 74 HD12 LEU 74 -3.802 5.935 0.850 558 HD13 LEU 74 HD13 LEU 74 -2.353 6.699 0.178 559 HD21 LEU 74 HD21 LEU 74 -1.199 4.714 3.122 560 HD22 LEU 74 HD22 LEU 74 -0.671 5.194 1.509 561 HD23 LEU 74 HD23 LEU 74 -2.187 4.320 1.717 562 H SER 75 HN SER 75 0.620 8.225 4.153 563 HA SER 75 HA SER 75 0.998 11.008 4.987 564 HB2 SER 75 HB2 SER 75 0.081 9.836 6.951 565 HB3 SER 75 HB1 SER 75 1.394 8.667 6.862 566 HG SER 75 HG SER 75 1.437 11.353 7.661 567 H SER 76 HN SER 76 3.304 11.441 5.697 568 HA SER 76 HA SER 76 5.048 10.597 3.643 569 HB2 SER 76 HB2 SER 76 5.723 12.029 6.217 570 HB3 SER 76 HB1 SER 76 6.742 11.943 4.782 571 HG SER 76 HG SER 76 5.706 13.641 4.131 572 H THR 77 HN THR 77 4.696 9.578 6.995 573 HA THR 77 HA THR 77 6.909 7.674 6.617 574 HB THR 77 HB THR 77 6.709 7.385 9.142 575 HG1 THR 77 HG1 THR 77 4.659 8.381 9.405 576 HG21 THR 77 HG21 THR 77 7.497 10.073 8.028 577 HG22 THR 77 HG22 THR 77 8.517 8.636 8.109 578 HG23 THR 77 HG23 THR 77 7.997 9.435 9.594 579 H LEU 78 HN LEU 78 4.296 7.489 5.537 580 HA LEU 78 HA LEU 78 2.388 5.976 6.763 581 HB2 LEU 78 HB2 LEU 78 2.322 7.053 4.538 582 HB3 LEU 78 HB1 LEU 78 3.366 5.800 3.929 583 HG LEU 78 HG LEU 78 0.755 5.794 3.559 584 HD11 LEU 78 HD11 LEU 78 2.170 4.272 2.467 585 HD12 LEU 78 HD12 LEU 78 0.923 3.323 3.289 586 HD13 LEU 78 HD13 LEU 78 2.542 3.432 3.980 587 HD21 LEU 78 HD21 LEU 78 1.164 4.587 6.252 588 HD22 LEU 78 HD22 LEU 78 -0.106 3.986 5.185 589 HD23 LEU 78 HD23 LEU 78 -0.103 5.677 5.682 590 H ILE 79 HN ILE 79 4.942 4.645 4.692 591 HA ILE 79 HA ILE 79 4.395 1.938 5.494 592 HB ILE 79 HB ILE 79 6.215 1.347 4.010 593 HG12 ILE 79 HG12 ILE 79 6.779 4.298 4.044 594 HG13 ILE 79 HG11 ILE 79 7.880 2.974 4.417 595 HG21 ILE 79 HG21 ILE 79 4.083 1.839 2.982 596 HG22 ILE 79 HG22 ILE 79 5.411 2.370 1.947 597 HG23 ILE 79 HG23 ILE 79 4.502 3.554 2.891 598 HD11 ILE 79 HD11 ILE 79 6.826 3.845 1.757 599 HD12 ILE 79 HD12 ILE 79 7.609 2.277 2.002 600 HD13 ILE 79 HD13 ILE 79 8.502 3.768 2.304 601 H PHE 80 HN PHE 80 5.806 4.196 7.261 602 HA PHE 80 HA PHE 80 7.614 2.238 8.500 603 HB2 PHE 80 HB2 PHE 80 7.801 5.259 8.559 604 HB3 PHE 80 HB1 PHE 80 8.874 4.159 9.425 605 HD1 PHE 80 HD1 PHE 80 9.091 6.284 6.923 606 HD2 PHE 80 HD2 PHE 80 9.381 2.077 7.472 607 HE1 PHE 80 HE1 PHE 80 10.487 6.120 4.907 608 HE2 PHE 80 HE2 PHE 80 10.774 1.888 5.454 609 HZ PHE 80 HZ PHE 80 11.338 3.925 4.170 610 H ASP 81 HN ASP 81 4.845 4.075 8.645 611 HA ASP 81 HA ASP 81 4.421 3.888 11.490 612 HB2 ASP 81 HB2 ASP 81 3.334 5.453 9.514 613 HB3 ASP 81 HB1 ASP 81 2.125 4.196 9.687 614 H HIS 82 HN HIS 82 3.549 2.378 8.505 615 HA HIS 82 HA HIS 82 2.584 -0.009 9.898 616 HB2 HIS 82 HB2 HIS 82 1.790 0.917 7.128 617 HB3 HIS 82 HB1 HIS 82 1.056 -0.362 8.080 618 HD1 HIS 82 HD1 HIS 82 -0.407 0.385 10.142 619 HD2 HIS 82 HD2 HIS 82 0.920 3.475 7.694 620 HE1 HIS 82 HE1 HIS 82 -1.686 2.418 10.874 621 HE2 HIS 82 HE2 HIS 82 -0.716 4.307 9.524 622 HA PRO 83 HA PRO 83 6.576 -1.008 8.554 623 HB2 PRO 83 HB2 PRO 83 6.527 -3.696 9.151 624 HB3 PRO 83 HB1 PRO 83 6.763 -2.411 10.340 625 HG2 PRO 83 HG2 PRO 83 4.253 -3.886 9.615 626 HG3 PRO 83 HG1 PRO 83 4.866 -3.437 11.222 627 HD2 PRO 83 HD2 PRO 83 2.930 -2.016 10.032 628 HD3 PRO 83 HD1 PRO 83 4.186 -1.226 10.992 629 H THR 84 HN THR 84 4.022 -3.210 7.400 630 HA THR 84 HA THR 84 5.750 -3.797 5.111 631 HB THR 84 HB THR 84 4.746 -6.016 5.043 632 HG1 THR 84 HG1 THR 84 3.577 -6.463 7.220 633 HG21 THR 84 HG21 THR 84 6.804 -5.668 6.354 634 HG22 THR 84 HG22 THR 84 5.796 -6.944 7.039 635 HG23 THR 84 HG23 THR 84 5.825 -5.346 7.785 636 HA PRO 85 HA PRO 85 2.485 -2.644 2.347 637 HB2 PRO 85 HB2 PRO 85 2.811 -5.280 1.039 638 HB3 PRO 85 HB1 PRO 85 2.958 -3.668 0.344 639 HG2 PRO 85 HG2 PRO 85 5.099 -5.221 0.801 640 HG3 PRO 85 HG1 PRO 85 5.160 -3.456 0.949 641 HD2 PRO 85 HD2 PRO 85 5.069 -5.530 3.073 642 HD3 PRO 85 HD1 PRO 85 5.871 -3.953 3.072 643 H HIS 86 HN HIS 86 2.584 -5.504 4.139 644 HA HIS 86 HA HIS 86 -0.149 -6.318 3.741 645 HB2 HIS 86 HB2 HIS 86 1.099 -8.091 4.474 646 HB3 HIS 86 HB1 HIS 86 2.134 -7.102 5.472 647 HD1 HIS 86 HD1 HIS 86 -0.567 -9.501 5.688 648 HD2 HIS 86 HD2 HIS 86 0.787 -6.308 7.985 649 HE1 HIS 86 HE1 HIS 86 -1.542 -9.855 7.977 650 HE2 HIS 86 HE2 HIS 86 -0.877 -7.810 9.282 651 H ALA 87 HN ALA 87 1.680 -4.542 6.151 652 HA ALA 87 HA ALA 87 -0.550 -4.005 7.862 653 HB1 ALA 87 HB1 ALA 87 0.987 -2.573 9.080 654 HB2 ALA 87 HB2 ALA 87 2.138 -2.637 7.745 655 HB3 ALA 87 HB3 ALA 87 1.786 -4.094 8.679 656 H VAL 88 HN VAL 88 0.796 -2.648 5.089 657 HA VAL 88 HA VAL 88 -0.350 -0.015 5.476 658 HB VAL 88 HB VAL 88 1.172 -1.285 3.223 659 HG11 VAL 88 HG11 VAL 88 0.095 1.506 3.433 660 HG12 VAL 88 HG12 VAL 88 -0.354 0.272 2.256 661 HG13 VAL 88 HG13 VAL 88 1.266 0.970 2.228 662 HG21 VAL 88 HG21 VAL 88 2.934 0.306 3.859 663 HG22 VAL 88 HG22 VAL 88 2.525 -0.803 5.168 664 HG23 VAL 88 HG23 VAL 88 1.929 0.861 5.199 665 H ALA 89 HN ALA 89 -0.808 -2.814 3.372 666 HA ALA 89 HA ALA 89 -2.926 -1.754 1.890 667 HB1 ALA 89 HB1 ALA 89 -2.363 -4.620 2.612 668 HB2 ALA 89 HB2 ALA 89 -1.810 -3.752 1.177 669 HB3 ALA 89 HB3 ALA 89 -3.527 -4.087 1.395 670 H GLU 90 HN GLU 90 -2.931 -3.521 5.015 671 HA GLU 90 HA GLU 90 -5.799 -3.508 5.141 672 HB2 GLU 90 HB2 GLU 90 -5.433 -4.097 7.549 673 HB3 GLU 90 HB1 GLU 90 -4.646 -5.177 6.403 674 HG2 GLU 90 HG2 GLU 90 -2.534 -4.135 6.788 675 HG3 GLU 90 HG1 GLU 90 -3.268 -2.911 7.816 676 H HIS 91 HN HIS 91 -3.229 -1.388 6.046 677 HA HIS 91 HA HIS 91 -4.695 0.441 7.561 678 HB2 HIS 91 HB2 HIS 91 -2.347 0.630 7.678 679 HB3 HIS 91 HB1 HIS 91 -2.182 0.684 5.921 680 HD1 HIS 91 HD1 HIS 91 -3.476 2.826 8.787 681 HD2 HIS 91 HD2 HIS 91 -2.163 3.154 4.857 682 HE1 HIS 91 HE1 HIS 91 -3.385 5.296 8.312 683 HE2 HIS 91 HE2 HIS 91 -2.711 5.475 5.897 684 H LEU 92 HN LEU 92 -4.524 -0.196 4.173 685 HA LEU 92 HA LEU 92 -5.672 2.287 3.374 686 HB2 LEU 92 HB2 LEU 92 -4.910 -0.251 2.042 687 HB3 LEU 92 HB1 LEU 92 -6.152 0.721 1.261 688 HG LEU 92 HG LEU 92 -4.703 2.496 0.855 689 HD11 LEU 92 HD11 LEU 92 -3.745 2.994 2.925 690 HD12 LEU 92 HD12 LEU 92 -2.370 2.519 1.923 691 HD13 LEU 92 HD13 LEU 92 -3.043 1.382 3.087 692 HD21 LEU 92 HD21 LEU 92 -2.968 0.046 0.721 693 HD22 LEU 92 HD22 LEU 92 -2.701 1.554 -0.154 694 HD23 LEU 92 HD23 LEU 92 -4.121 0.569 -0.507 695 H LEU 93 HN LEU 93 -6.859 -0.535 4.763 696 HA LEU 93 HA LEU 93 -9.565 -0.377 3.777 697 HB2 LEU 93 HB2 LEU 93 -8.306 -1.846 6.068 698 HB3 LEU 93 HB1 LEU 93 -10.036 -1.849 5.810 699 HG LEU 93 HG LEU 93 -9.869 -3.167 3.884 700 HD11 LEU 93 HD11 LEU 93 -8.142 -1.952 2.705 701 HD12 LEU 93 HD12 LEU 93 -7.727 -3.668 2.765 702 HD13 LEU 93 HD13 LEU 93 -6.921 -2.521 3.846 703 HD21 LEU 93 HD21 LEU 93 -8.579 -5.080 4.585 704 HD22 LEU 93 HD22 LEU 93 -9.354 -4.341 5.985 705 HD23 LEU 93 HD23 LEU 93 -7.633 -4.075 5.685 706 H GLU 94 HN GLU 94 -7.669 0.759 6.376 707 HA GLU 94 HA GLU 94 -9.550 1.760 8.165 708 HB2 GLU 94 HB2 GLU 94 -6.802 2.690 7.354 709 HB3 GLU 94 HB1 GLU 94 -7.669 3.363 8.738 710 HG2 GLU 94 HG2 GLU 94 -6.913 0.467 8.407 711 HG3 GLU 94 HG1 GLU 94 -5.984 1.648 9.324 712 H GLN 95 HN GLN 95 -8.466 2.886 5.078 713 HA GLN 95 HA GLN 95 -9.502 5.559 5.370 714 HB2 GLN 95 HB2 GLN 95 -8.606 4.248 2.825 715 HB3 GLN 95 HB1 GLN 95 -8.447 5.931 3.311 716 HG2 GLN 95 HG2 GLN 95 -6.981 3.690 4.657 717 HG3 GLN 95 HG1 GLN 95 -6.332 4.577 3.287 718 HE21 GLN 95 HE21 GLN 95 -5.484 4.308 6.077 719 HE22 GLN 95 HE22 GLN 95 -5.321 5.926 6.666 720 H ILE 96 HN ILE 96 -10.571 2.488 4.306 721 HA ILE 96 HA ILE 96 -12.233 3.295 2.156 722 HB ILE 96 HB ILE 96 -12.098 0.722 3.708 723 HG12 ILE 96 HG12 ILE 96 -9.998 1.541 2.705 724 HG13 ILE 96 HG11 ILE 96 -10.537 0.016 2.042 725 HG21 ILE 96 HG21 ILE 96 -13.102 1.089 0.910 726 HG22 ILE 96 HG22 ILE 96 -14.158 0.999 2.320 727 HG23 ILE 96 HG23 ILE 96 -13.140 -0.375 1.891 728 HD11 ILE 96 HD11 ILE 96 -9.639 1.663 0.387 729 HD12 ILE 96 HD12 ILE 96 -11.051 2.671 0.731 730 HD13 ILE 96 HD13 ILE 96 -11.261 1.064 0.032 731 HA PRO 97 HA PRO 97 -15.763 4.635 4.283 732 HB2 PRO 97 HB2 PRO 97 -17.528 4.603 2.284 733 HB3 PRO 97 HB1 PRO 97 -16.117 5.669 2.256 734 HG2 PRO 97 HG2 PRO 97 -16.459 2.988 0.964 735 HG3 PRO 97 HG1 PRO 97 -15.881 4.492 0.238 736 HD2 PRO 97 HD2 PRO 97 -14.200 2.590 1.114 737 HD3 PRO 97 HD1 PRO 97 -13.810 4.307 1.220 738 H GLY 98 HN GLY 98 -15.875 2.639 5.672 739 HA2 GLY 98 HA2 GLY 98 -17.453 1.370 6.795 740 HA3 GLY 98 HA1 GLY 98 -18.567 1.641 5.467 741 H ILE 99 HN ILE 99 -17.572 0.524 3.350 742 HA ILE 99 HA ILE 99 -17.977 -2.195 3.552 743 HB ILE 99 HB ILE 99 -16.426 -2.183 1.379 744 HG12 ILE 99 HG12 ILE 99 -17.415 0.622 1.244 745 HG13 ILE 99 HG11 ILE 99 -15.940 0.320 2.150 746 HG21 ILE 99 HG21 ILE 99 -18.416 -1.591 0.079 747 HG22 ILE 99 HG22 ILE 99 -19.176 -0.961 1.541 748 HG23 ILE 99 HG23 ILE 99 -18.801 -2.680 1.410 749 HD11 ILE 99 HD11 ILE 99 -16.442 -0.245 -0.755 750 HD12 ILE 99 HD12 ILE 99 -15.009 -0.780 0.131 751 HD13 ILE 99 HD13 ILE 99 -15.340 0.947 -0.048 752 H GLY 100 HN GLY 100 -14.933 -0.427 3.764 753 HA2 GLY 100 HA2 GLY 100 -13.527 -2.969 4.188 754 HA3 GLY 100 HA1 GLY 100 -12.774 -1.455 3.694 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 -13.756 11.295 1.336 2 H2 GLY 1 HT2 GLY 1 -14.457 10.610 -0.040 3 H3 GLY 1 HT3 GLY 1 -14.339 12.289 0.101 4 HA2 GLY 1 HA1 GLY 1 -11.945 12.184 0.006 5 HA3 GLY 1 HA2 GLY 1 -12.037 10.430 -0.082 6 H SER 2 HN SER 2 -11.387 12.986 -1.895 7 HA SER 2 HA SER 2 -12.983 12.517 -4.213 8 HB2 SER 2 HB2 SER 2 -11.093 13.961 -5.272 9 HB3 SER 2 HB1 SER 2 -12.153 14.701 -4.072 10 HG SER 2 HG SER 2 -9.457 14.067 -3.924 11 H THR 3 HN THR 3 -12.599 11.246 -5.934 12 HA THR 3 HA THR 3 -11.579 9.789 -7.361 13 HB THR 3 HB THR 3 -9.117 10.212 -5.667 14 HG1 THR 3 HG1 THR 3 -10.243 11.676 -7.553 15 HG21 THR 3 HG21 THR 3 -9.351 8.713 -8.279 16 HG22 THR 3 HG22 THR 3 -9.128 7.962 -6.694 17 HG23 THR 3 HG23 THR 3 -7.869 9.010 -7.366 18 H ALA 4 HN ALA 4 -11.624 9.344 -3.954 19 HA ALA 4 HA ALA 4 -10.565 6.869 -3.535 20 HB1 ALA 4 HB1 ALA 4 -11.440 8.344 -1.778 21 HB2 ALA 4 HB2 ALA 4 -12.007 6.684 -1.599 22 HB3 ALA 4 HB3 ALA 4 -13.084 7.917 -2.256 23 H THR 5 HN THR 5 -13.861 7.509 -4.720 24 HA THR 5 HA THR 5 -14.986 5.033 -4.826 25 HB THR 5 HB THR 5 -15.041 7.111 -7.010 26 HG1 THR 5 HG1 THR 5 -15.870 7.269 -4.546 27 HG21 THR 5 HG21 THR 5 -17.007 4.893 -6.423 28 HG22 THR 5 HG22 THR 5 -15.909 4.953 -7.801 29 HG23 THR 5 HG23 THR 5 -17.197 6.147 -7.649 30 H LEU 6 HN LEU 6 -12.302 6.120 -6.700 31 HA LEU 6 HA LEU 6 -12.166 4.263 -8.747 32 HB2 LEU 6 HB2 LEU 6 -10.619 6.039 -8.725 33 HB3 LEU 6 HB1 LEU 6 -10.134 5.689 -7.078 34 HG LEU 6 HG LEU 6 -8.953 3.669 -7.863 35 HD11 LEU 6 HD11 LEU 6 -8.606 3.301 -10.241 36 HD12 LEU 6 HD12 LEU 6 -9.666 4.656 -10.625 37 HD13 LEU 6 HD13 LEU 6 -10.324 3.215 -9.849 38 HD21 LEU 6 HD21 LEU 6 -8.152 6.165 -9.353 39 HD22 LEU 6 HD22 LEU 6 -7.100 4.834 -8.868 40 HD23 LEU 6 HD23 LEU 6 -7.838 5.868 -7.644 41 H LEU 7 HN LEU 7 -10.364 4.061 -5.682 42 HA LEU 7 HA LEU 7 -10.034 1.218 -6.037 43 HB2 LEU 7 HB2 LEU 7 -8.673 3.238 -4.688 44 HB3 LEU 7 HB1 LEU 7 -9.326 2.212 -3.422 45 HG LEU 7 HG LEU 7 -7.017 1.586 -4.136 46 HD11 LEU 7 HD11 LEU 7 -7.470 -0.780 -4.107 47 HD12 LEU 7 HD12 LEU 7 -9.133 -0.499 -4.637 48 HD13 LEU 7 HD13 LEU 7 -8.612 0.050 -3.045 49 HD21 LEU 7 HD21 LEU 7 -6.619 0.577 -6.238 50 HD22 LEU 7 HD22 LEU 7 -7.489 2.077 -6.585 51 HD23 LEU 7 HD23 LEU 7 -8.337 0.532 -6.626 52 H THR 8 HN THR 8 -12.011 3.341 -4.134 53 HA THR 8 HA THR 8 -12.836 1.577 -2.132 54 HB THR 8 HB THR 8 -14.217 3.924 -3.388 55 HG1 THR 8 HG1 THR 8 -12.305 4.404 -2.265 56 HG21 THR 8 HG21 THR 8 -15.699 3.981 -1.449 57 HG22 THR 8 HG22 THR 8 -14.952 2.514 -0.820 58 HG23 THR 8 HG23 THR 8 -15.887 2.456 -2.313 59 H SER 9 HN SER 9 -13.937 1.969 -5.437 60 HA SER 9 HA SER 9 -16.252 0.324 -5.193 61 HB2 SER 9 HB2 SER 9 -16.188 1.878 -6.998 62 HB3 SER 9 HB1 SER 9 -14.628 1.281 -7.554 63 HG SER 9 HG SER 9 -16.767 -0.524 -7.441 64 H LYS 10 HN LYS 10 -12.874 -0.263 -5.627 65 HA LYS 10 HA LYS 10 -12.943 -2.959 -6.477 66 HB2 LYS 10 HB2 LYS 10 -10.959 -1.244 -6.249 67 HB3 LYS 10 HB1 LYS 10 -10.886 -1.813 -4.592 68 HG2 LYS 10 HG2 LYS 10 -10.228 -3.290 -7.112 69 HG3 LYS 10 HG1 LYS 10 -9.254 -3.019 -5.678 70 HD2 LYS 10 HD2 LYS 10 -9.806 -5.086 -5.175 71 HD3 LYS 10 HD1 LYS 10 -11.341 -4.384 -4.672 72 HE2 LYS 10 HE2 LYS 10 -11.665 -6.347 -6.111 73 HE3 LYS 10 HE1 LYS 10 -12.309 -4.880 -6.838 74 HZ1 LYS 10 HZ1 LYS 10 -11.064 -6.314 -8.395 75 HZ2 LYS 10 HZ2 LYS 10 -9.658 -6.037 -7.499 76 HZ3 LYS 10 HZ3 LYS 10 -10.427 -4.752 -8.281 77 H LEU 11 HN LEU 11 -12.428 -1.504 -3.293 78 HA LEU 11 HA LEU 11 -12.507 -3.870 -1.807 79 HB2 LEU 11 HB2 LEU 11 -13.223 -1.099 -0.873 80 HB3 LEU 11 HB1 LEU 11 -12.890 -2.461 0.169 81 HG LEU 11 HG LEU 11 -10.861 -1.445 0.256 82 HD11 LEU 11 HD11 LEU 11 -10.578 -2.941 -2.340 83 HD12 LEU 11 HD12 LEU 11 -10.591 -3.686 -0.737 84 HD13 LEU 11 HD13 LEU 11 -9.295 -2.569 -1.182 85 HD21 LEU 11 HD21 LEU 11 -11.660 0.364 -1.333 86 HD22 LEU 11 HD22 LEU 11 -10.975 -0.617 -2.631 87 HD23 LEU 11 HD23 LEU 11 -9.934 0.004 -1.347 88 H ALA 12 HN ALA 12 -15.088 -1.847 -2.946 89 HA ALA 12 HA ALA 12 -17.188 -2.732 -1.338 90 HB1 ALA 12 HB1 ALA 12 -17.295 -2.018 -4.265 91 HB2 ALA 12 HB2 ALA 12 -17.343 -0.865 -2.930 92 HB3 ALA 12 HB3 ALA 12 -18.653 -2.029 -3.139 93 H GLY 13 HN GLY 13 -15.493 -4.297 -3.916 94 HA2 GLY 13 HA2 GLY 13 -17.479 -6.401 -4.204 95 HA3 GLY 13 HA1 GLY 13 -15.969 -6.248 -5.093 96 H LEU 14 HN LEU 14 -14.912 -5.793 -2.104 97 HA LEU 14 HA LEU 14 -14.340 -8.641 -1.711 98 HB2 LEU 14 HB2 LEU 14 -12.884 -6.183 -0.857 99 HB3 LEU 14 HB1 LEU 14 -12.481 -7.759 -0.272 100 HG LEU 14 HG LEU 14 -10.976 -7.682 -1.911 101 HD11 LEU 14 HD11 LEU 14 -13.418 -8.348 -3.530 102 HD12 LEU 14 HD12 LEU 14 -12.451 -9.478 -2.573 103 HD13 LEU 14 HD13 LEU 14 -11.748 -8.691 -3.990 104 HD21 LEU 14 HD21 LEU 14 -12.813 -5.807 -3.347 105 HD22 LEU 14 HD22 LEU 14 -11.209 -6.282 -3.903 106 HD23 LEU 14 HD23 LEU 14 -11.392 -5.389 -2.391 107 H THR 15 HN THR 15 -13.799 -9.215 0.478 108 HA THR 15 HA THR 15 -15.437 -7.914 2.522 109 HB THR 15 HB THR 15 -14.990 -9.893 3.853 110 HG1 THR 15 HG1 THR 15 -13.641 -11.584 2.670 111 HG21 THR 15 HG21 THR 15 -15.861 -11.672 2.365 112 HG22 THR 15 HG22 THR 15 -15.536 -10.633 0.972 113 HG23 THR 15 HG23 THR 15 -16.737 -10.152 2.172 114 H ALA 16 HN ALA 16 -14.161 -7.560 4.648 115 HA ALA 16 HA ALA 16 -12.147 -5.740 4.255 116 HB1 ALA 16 HB1 ALA 16 -13.328 -6.035 6.383 117 HB2 ALA 16 HB2 ALA 16 -11.580 -6.009 6.612 118 HB3 ALA 16 HB3 ALA 16 -12.453 -7.540 6.662 119 H THR 17 HN THR 17 -11.799 -9.226 4.662 120 HA THR 17 HA THR 17 -8.984 -9.292 4.830 121 HB THR 17 HB THR 17 -10.932 -11.414 3.914 122 HG1 THR 17 HG1 THR 17 -11.152 -10.617 6.114 123 HG21 THR 17 HG21 THR 17 -8.040 -11.640 4.741 124 HG22 THR 17 HG22 THR 17 -8.696 -11.935 3.133 125 HG23 THR 17 HG23 THR 17 -9.125 -13.002 4.470 126 H GLU 18 HN GLU 18 -11.191 -9.690 2.053 127 HA GLU 18 HA GLU 18 -9.073 -10.132 0.231 128 HB2 GLU 18 HB2 GLU 18 -11.961 -9.433 -0.191 129 HB3 GLU 18 HB1 GLU 18 -10.848 -9.894 -1.458 130 HG2 GLU 18 HG2 GLU 18 -10.517 -12.050 -0.288 131 HG3 GLU 18 HG1 GLU 18 -11.777 -11.563 0.841 132 H GLN 19 HN GLN 19 -10.778 -7.359 1.427 133 HA GLN 19 HA GLN 19 -9.837 -5.449 -0.404 134 HB2 GLN 19 HB2 GLN 19 -10.430 -5.172 2.543 135 HB3 GLN 19 HB1 GLN 19 -10.281 -3.843 1.411 136 HG2 GLN 19 HG2 GLN 19 -12.185 -4.592 0.199 137 HG3 GLN 19 HG1 GLN 19 -12.294 -6.039 1.179 138 HE21 GLN 19 HE21 GLN 19 -14.317 -4.127 0.737 139 HE22 GLN 19 HE22 GLN 19 -14.723 -3.447 2.281 140 H ARG 20 HN ARG 20 -8.484 -6.772 2.584 141 HA ARG 20 HA ARG 20 -6.041 -5.381 2.595 142 HB2 ARG 20 HB2 ARG 20 -6.101 -8.329 3.177 143 HB3 ARG 20 HB1 ARG 20 -5.174 -7.067 3.974 144 HG2 ARG 20 HG2 ARG 20 -7.203 -6.240 5.010 145 HG3 ARG 20 HG1 ARG 20 -8.144 -7.503 4.205 146 HD2 ARG 20 HD2 ARG 20 -7.706 -8.198 6.455 147 HD3 ARG 20 HD1 ARG 20 -6.726 -9.177 5.373 148 HE ARG 20 HE ARG 20 -5.287 -6.919 6.360 149 HH11 ARG 20 HH11 ARG 20 -6.342 -10.155 7.132 150 HH12 ARG 20 HH12 ARG 20 -5.115 -10.419 8.325 151 HH21 ARG 20 HH21 ARG 20 -3.641 -7.254 7.968 152 HH22 ARG 20 HH22 ARG 20 -3.600 -8.775 8.806 153 H ALA 21 HN ALA 21 -7.042 -8.335 0.995 154 HA ALA 21 HA ALA 21 -4.557 -9.107 -0.030 155 HB1 ALA 21 HB1 ALA 21 -5.793 -10.638 -1.437 156 HB2 ALA 21 HB2 ALA 21 -7.280 -9.741 -1.137 157 HB3 ALA 21 HB3 ALA 21 -6.486 -10.598 0.184 158 H VAL 22 HN VAL 22 -7.043 -7.059 -1.464 159 HA VAL 22 HA VAL 22 -5.911 -7.200 -4.067 160 HB VAL 22 HB VAL 22 -7.434 -5.270 -4.604 161 HG11 VAL 22 HG11 VAL 22 -8.849 -7.544 -3.226 162 HG12 VAL 22 HG12 VAL 22 -7.996 -7.733 -4.759 163 HG13 VAL 22 HG13 VAL 22 -9.370 -6.636 -4.652 164 HG21 VAL 22 HG21 VAL 22 -9.133 -4.668 -2.947 165 HG22 VAL 22 HG22 VAL 22 -7.516 -4.251 -2.380 166 HG23 VAL 22 HG23 VAL 22 -8.329 -5.685 -1.744 167 H THR 23 HN THR 23 -5.656 -4.706 -1.495 168 HA THR 23 HA THR 23 -3.664 -3.451 -3.197 169 HB THR 23 HB THR 23 -4.980 -1.836 -2.258 170 HG1 THR 23 HG1 THR 23 -3.096 -1.261 -0.457 171 HG21 THR 23 HG21 THR 23 -4.390 -2.899 0.476 172 HG22 THR 23 HG22 THR 23 -5.912 -3.127 -0.381 173 HG23 THR 23 HG23 THR 23 -5.399 -1.506 0.099 174 H ARG 24 HN ARG 24 -3.698 -5.724 -0.634 175 HA ARG 24 HA ARG 24 -0.993 -5.405 0.162 176 HB2 ARG 24 HB2 ARG 24 -2.565 -6.988 1.250 177 HB3 ARG 24 HB1 ARG 24 -2.571 -7.963 -0.205 178 HG2 ARG 24 HG2 ARG 24 0.078 -7.856 0.320 179 HG3 ARG 24 HG1 ARG 24 -0.596 -7.792 1.950 180 HD2 ARG 24 HD2 ARG 24 -1.975 -9.786 1.374 181 HD3 ARG 24 HD1 ARG 24 -1.110 -9.879 -0.159 182 HE ARG 24 HE ARG 24 0.810 -9.850 1.835 183 HH11 ARG 24 HH11 ARG 24 -1.841 -11.914 0.862 184 HH12 ARG 24 HH12 ARG 24 -1.097 -13.363 1.460 185 HH21 ARG 24 HH21 ARG 24 1.787 -11.736 2.631 186 HH22 ARG 24 HH22 ARG 24 0.975 -13.264 2.463 187 H LYS 25 HN LYS 25 -2.464 -5.997 -2.727 188 HA LYS 25 HA LYS 25 -0.079 -6.978 -4.041 189 HB2 LYS 25 HB2 LYS 25 -1.894 -8.195 -4.719 190 HB3 LYS 25 HB1 LYS 25 -2.971 -6.808 -4.673 191 HG2 LYS 25 HG2 LYS 25 -2.456 -6.162 -6.710 192 HG3 LYS 25 HG1 LYS 25 -0.758 -6.630 -6.577 193 HD2 LYS 25 HD2 LYS 25 -1.177 -8.830 -7.087 194 HD3 LYS 25 HD1 LYS 25 -2.865 -8.709 -6.621 195 HE2 LYS 25 HE2 LYS 25 -2.725 -8.906 -9.022 196 HE3 LYS 25 HE1 LYS 25 -3.257 -7.276 -8.614 197 HZ1 LYS 25 HZ1 LYS 25 -1.005 -6.487 -8.947 198 HZ2 LYS 25 HZ2 LYS 25 -1.564 -7.264 -10.339 199 HZ3 LYS 25 HZ3 LYS 25 -0.480 -8.053 -9.313 200 H LEU 26 HN LEU 26 -2.392 -4.242 -3.858 201 HA LEU 26 HA LEU 26 -1.234 -2.761 -5.967 202 HB2 LEU 26 HB2 LEU 26 -3.526 -2.409 -5.328 203 HB3 LEU 26 HB1 LEU 26 -3.047 -1.958 -3.711 204 HG LEU 26 HG LEU 26 -3.789 -0.121 -5.322 205 HD11 LEU 26 HD11 LEU 26 -2.723 0.087 -3.083 206 HD12 LEU 26 HD12 LEU 26 -2.483 1.455 -4.176 207 HD13 LEU 26 HD13 LEU 26 -1.184 0.287 -3.923 208 HD21 LEU 26 HD21 LEU 26 -2.075 0.869 -6.696 209 HD22 LEU 26 HD22 LEU 26 -2.413 -0.786 -7.218 210 HD23 LEU 26 HD23 LEU 26 -0.966 -0.441 -6.270 211 H VAL 27 HN VAL 27 -0.981 -2.267 -2.394 212 HA VAL 27 HA VAL 27 0.850 -0.163 -2.540 213 HB VAL 27 HB VAL 27 -0.113 -0.633 -0.383 214 HG11 VAL 27 HG11 VAL 27 -0.474 -2.973 -0.451 215 HG12 VAL 27 HG12 VAL 27 0.613 -2.658 0.905 216 HG13 VAL 27 HG13 VAL 27 1.249 -3.300 -0.612 217 HG21 VAL 27 HG21 VAL 27 2.842 -1.266 -0.301 218 HG22 VAL 27 HG22 VAL 27 1.869 -0.661 1.042 219 HG23 VAL 27 HG23 VAL 27 2.139 0.354 -0.376 220 H LEU 28 HN LEU 28 1.208 -3.565 -2.659 221 HA LEU 28 HA LEU 28 3.979 -3.845 -2.679 222 HB2 LEU 28 HB2 LEU 28 1.890 -5.511 -2.661 223 HB3 LEU 28 HB1 LEU 28 2.270 -5.583 -4.367 224 HG LEU 28 HG LEU 28 4.447 -6.478 -3.917 225 HD11 LEU 28 HD11 LEU 28 5.071 -5.233 -1.998 226 HD12 LEU 28 HD12 LEU 28 5.108 -6.943 -1.561 227 HD13 LEU 28 HD13 LEU 28 3.755 -5.923 -1.050 228 HD21 LEU 28 HD21 LEU 28 2.732 -8.126 -3.967 229 HD22 LEU 28 HD22 LEU 28 2.226 -7.735 -2.321 230 HD23 LEU 28 HD23 LEU 28 3.785 -8.522 -2.605 231 H ASP 29 HN ASP 29 1.647 -3.504 -5.294 232 HA ASP 29 HA ASP 29 3.480 -3.704 -7.435 233 HB2 ASP 29 HB2 ASP 29 0.956 -3.944 -7.539 234 HB3 ASP 29 HB1 ASP 29 0.873 -2.194 -7.452 235 H GLN 30 HN GLN 30 2.075 -0.986 -5.694 236 HA GLN 30 HA GLN 30 3.264 1.087 -7.120 237 HB2 GLN 30 HB2 GLN 30 2.612 0.952 -4.199 238 HB3 GLN 30 HB1 GLN 30 2.821 2.416 -5.146 239 HG2 GLN 30 HG2 GLN 30 0.623 0.381 -5.411 240 HG3 GLN 30 HG1 GLN 30 0.505 2.041 -4.847 241 HE21 GLN 30 HE21 GLN 30 0.846 -0.034 -7.587 242 HE22 GLN 30 HE22 GLN 30 0.522 1.160 -8.799 243 H ALA 31 HN ALA 31 4.314 -0.625 -4.239 244 HA ALA 31 HA ALA 31 6.703 0.794 -3.766 245 HB1 ALA 31 HB1 ALA 31 7.310 -1.105 -2.386 246 HB2 ALA 31 HB2 ALA 31 6.079 -2.100 -3.175 247 HB3 ALA 31 HB3 ALA 31 5.597 -0.734 -2.163 248 H ALA 32 HN ALA 32 5.813 -1.768 -5.856 249 HA ALA 32 HA ALA 32 8.400 -2.593 -6.648 250 HB1 ALA 32 HB1 ALA 32 5.577 -2.953 -7.586 251 HB2 ALA 32 HB2 ALA 32 6.787 -4.167 -7.115 252 HB3 ALA 32 HB3 ALA 32 6.895 -3.376 -8.689 253 H SER 33 HN SER 33 5.979 -0.369 -7.922 254 HA SER 33 HA SER 33 7.303 0.416 -10.256 255 HB2 SER 33 HB2 SER 33 4.975 0.951 -9.879 256 HB3 SER 33 HB1 SER 33 5.375 1.871 -8.432 257 HG SER 33 HG SER 33 5.599 2.555 -11.124 258 H VAL 34 HN VAL 34 7.483 1.546 -6.941 259 HA VAL 34 HA VAL 34 9.131 3.780 -7.304 260 HB VAL 34 HB VAL 34 9.163 1.946 -4.918 261 HG11 VAL 34 HG11 VAL 34 10.833 3.643 -4.790 262 HG12 VAL 34 HG12 VAL 34 9.518 4.106 -3.708 263 HG13 VAL 34 HG13 VAL 34 9.685 4.888 -5.278 264 HG21 VAL 34 HG21 VAL 34 7.198 4.120 -5.547 265 HG22 VAL 34 HG22 VAL 34 7.335 3.250 -4.019 266 HG23 VAL 34 HG23 VAL 34 6.885 2.386 -5.484 267 H LEU 35 HN LEU 35 9.835 0.558 -6.112 268 HA LEU 35 HA LEU 35 12.556 0.950 -5.787 269 HB2 LEU 35 HB2 LEU 35 10.583 -1.141 -5.594 270 HB3 LEU 35 HB1 LEU 35 12.181 -1.756 -5.989 271 HG LEU 35 HG LEU 35 12.998 -1.283 -3.902 272 HD11 LEU 35 HD11 LEU 35 11.012 0.987 -3.701 273 HD12 LEU 35 HD12 LEU 35 12.753 1.133 -3.961 274 HD13 LEU 35 HD13 LEU 35 12.142 0.516 -2.426 275 HD21 LEU 35 HD21 LEU 35 10.037 -1.571 -3.715 276 HD22 LEU 35 HD22 LEU 35 11.042 -1.476 -2.262 277 HD23 LEU 35 HD23 LEU 35 11.296 -2.777 -3.425 278 H GLY 36 HN GLY 36 10.782 -0.171 -8.603 279 HA2 GLY 36 HA2 GLY 36 12.179 0.264 -10.678 280 HA3 GLY 36 HA1 GLY 36 13.381 -0.717 -9.854 281 H TYR 37 HN TYR 37 10.185 -1.671 -9.366 282 HA TYR 37 HA TYR 37 10.822 -4.139 -10.809 283 HB2 TYR 37 HB2 TYR 37 8.717 -3.680 -8.699 284 HB3 TYR 37 HB1 TYR 37 9.332 -5.221 -9.268 285 HD1 TYR 37 HD1 TYR 37 9.148 -4.304 -6.420 286 HD2 TYR 37 HD2 TYR 37 12.303 -4.056 -9.240 287 HE1 TYR 37 HE1 TYR 37 10.764 -4.325 -4.596 288 HE2 TYR 37 HE2 TYR 37 13.949 -4.051 -7.429 289 HH TYR 37 HH TYR 37 13.087 -4.821 -4.176 290 H ALA 38 HN ALA 38 8.914 -5.325 -11.701 291 HA ALA 38 HA ALA 38 6.938 -3.460 -12.831 292 HB1 ALA 38 HB1 ALA 38 8.755 -3.920 -14.453 293 HB2 ALA 38 HB2 ALA 38 7.171 -4.466 -15.004 294 HB3 ALA 38 HB3 ALA 38 8.336 -5.634 -14.378 295 H SER 39 HN SER 39 7.452 -6.229 -11.089 296 HA SER 39 HA SER 39 4.687 -6.992 -11.331 297 HB2 SER 39 HB2 SER 39 5.776 -8.204 -13.221 298 HB3 SER 39 HB1 SER 39 6.836 -9.002 -12.062 299 HG SER 39 HG SER 39 5.217 -10.233 -11.399 300 H THR 40 HN THR 40 6.362 -5.924 -9.307 301 HA THR 40 HA THR 40 7.116 -6.189 -7.175 302 HB THR 40 HB THR 40 5.574 -7.423 -5.678 303 HG1 THR 40 HG1 THR 40 4.911 -8.677 -7.999 304 HG21 THR 40 HG21 THR 40 3.535 -6.101 -6.291 305 HG22 THR 40 HG22 THR 40 4.356 -5.650 -7.790 306 HG23 THR 40 HG23 THR 40 5.027 -5.159 -6.230 307 H GLU 41 HN GLU 41 8.642 -7.631 -8.863 308 HA GLU 41 HA GLU 41 8.841 -10.382 -8.256 309 HB2 GLU 41 HB2 GLU 41 11.095 -10.155 -9.420 310 HB3 GLU 41 HB1 GLU 41 9.668 -9.718 -10.344 311 HG2 GLU 41 HG2 GLU 41 11.063 -7.551 -8.893 312 HG3 GLU 41 HG1 GLU 41 11.846 -8.227 -10.322 313 H SER 42 HN SER 42 10.466 -7.554 -6.900 314 HA SER 42 HA SER 42 11.953 -9.384 -5.144 315 HB2 SER 42 HB2 SER 42 12.780 -6.619 -6.045 316 HB3 SER 42 HB1 SER 42 13.725 -7.703 -5.024 317 HG SER 42 HG SER 42 14.153 -8.967 -6.713 318 H LEU 43 HN LEU 43 9.366 -8.564 -4.508 319 HA LEU 43 HA LEU 43 9.888 -6.820 -2.209 320 HB2 LEU 43 HB2 LEU 43 7.380 -7.348 -3.765 321 HB3 LEU 43 HB1 LEU 43 7.424 -6.426 -2.270 322 HG LEU 43 HG LEU 43 9.015 -5.684 -4.714 323 HD11 LEU 43 HD11 LEU 43 6.340 -4.683 -3.796 324 HD12 LEU 43 HD12 LEU 43 6.673 -5.626 -5.250 325 HD13 LEU 43 HD13 LEU 43 7.312 -3.987 -5.095 326 HD21 LEU 43 HD21 LEU 43 9.867 -4.810 -2.627 327 HD22 LEU 43 HD22 LEU 43 8.264 -4.204 -2.207 328 HD23 LEU 43 HD23 LEU 43 9.134 -3.517 -3.577 329 H ASP 44 HN ASP 44 8.323 -7.178 -0.414 330 HA ASP 44 HA ASP 44 7.388 -9.912 -0.057 331 HB2 ASP 44 HB2 ASP 44 9.810 -9.465 0.959 332 HB3 ASP 44 HB1 ASP 44 8.886 -8.643 2.204 333 H THR 45 HN THR 45 5.502 -9.925 1.150 334 HA THR 45 HA THR 45 4.521 -7.330 2.025 335 HB THR 45 HB THR 45 2.417 -8.667 2.553 336 HG1 THR 45 HG1 THR 45 3.593 -10.609 0.836 337 HG21 THR 45 HG21 THR 45 2.499 -7.267 0.626 338 HG22 THR 45 HG22 THR 45 1.757 -8.800 0.165 339 HG23 THR 45 HG23 THR 45 3.434 -8.465 -0.269 340 H HIS 46 HN HIS 46 6.195 -9.940 3.270 341 HA HIS 46 HA HIS 46 5.104 -9.590 5.971 342 HB2 HIS 46 HB2 HIS 46 6.971 -11.681 4.841 343 HB3 HIS 46 HB1 HIS 46 6.483 -11.601 6.525 344 HD1 HIS 46 HD1 HIS 46 4.660 -13.174 7.052 345 HD2 HIS 46 HD2 HIS 46 4.470 -11.828 3.133 346 HE1 HIS 46 HE1 HIS 46 2.716 -14.381 6.023 347 HE2 HIS 46 HE2 HIS 46 2.789 -13.748 3.594 348 H GLU 47 HN GLU 47 7.470 -8.295 4.081 349 HA GLU 47 HA GLU 47 9.236 -7.836 6.387 350 HB2 GLU 47 HB2 GLU 47 11.068 -8.262 5.162 351 HB3 GLU 47 HB1 GLU 47 9.969 -9.087 4.074 352 HG2 GLU 47 HG2 GLU 47 9.769 -6.931 2.802 353 HG3 GLU 47 HG1 GLU 47 11.068 -6.304 3.818 354 H SER 48 HN SER 48 10.177 -5.705 6.504 355 HA SER 48 HA SER 48 8.059 -3.815 5.930 356 HB2 SER 48 HB2 SER 48 10.594 -3.131 7.390 357 HB3 SER 48 HB1 SER 48 8.964 -2.496 7.616 358 HG SER 48 HG SER 48 8.872 -5.104 8.058 359 H PHE 49 HN PHE 49 8.305 -1.875 4.891 360 HA PHE 49 HA PHE 49 9.654 -1.822 2.483 361 HB2 PHE 49 HB2 PHE 49 8.688 0.516 4.112 362 HB3 PHE 49 HB1 PHE 49 9.137 0.590 2.413 363 HD1 PHE 49 HD1 PHE 49 7.689 -0.300 0.711 364 HD2 PHE 49 HD2 PHE 49 6.682 -0.605 4.826 365 HE1 PHE 49 HE1 PHE 49 5.376 -0.877 0.100 366 HE2 PHE 49 HE2 PHE 49 4.380 -1.176 4.226 367 HZ PHE 49 HZ PHE 49 3.722 -1.314 1.870 368 H LYS 50 HN LYS 50 10.695 -0.674 5.579 369 HA LYS 50 HA LYS 50 12.998 0.660 5.064 370 HB2 LYS 50 HB2 LYS 50 12.044 0.024 7.279 371 HB3 LYS 50 HB1 LYS 50 12.694 -1.585 7.042 372 HG2 LYS 50 HG2 LYS 50 13.993 0.119 8.476 373 HG3 LYS 50 HG1 LYS 50 14.853 -0.929 7.357 374 HD2 LYS 50 HD2 LYS 50 15.724 1.323 7.200 375 HD3 LYS 50 HD1 LYS 50 14.894 0.901 5.707 376 HE2 LYS 50 HE2 LYS 50 12.903 2.137 6.532 377 HE3 LYS 50 HE1 LYS 50 13.842 2.636 7.939 378 HZ1 LYS 50 HZ1 LYS 50 13.890 4.359 6.289 379 HZ2 LYS 50 HZ2 LYS 50 14.433 3.290 5.100 380 HZ3 LYS 50 HZ3 LYS 50 15.435 3.684 6.406 381 H ASP 51 HN ASP 51 12.651 -2.827 5.257 382 HA ASP 51 HA ASP 51 15.247 -3.439 4.334 383 HB2 ASP 51 HB2 ASP 51 13.717 -4.970 5.619 384 HB3 ASP 51 HB1 ASP 51 12.827 -5.210 4.123 385 H LEU 52 HN LEU 52 12.253 -2.755 2.713 386 HA LEU 52 HA LEU 52 12.951 -3.758 0.144 387 HB2 LEU 52 HB2 LEU 52 10.871 -1.868 1.173 388 HB3 LEU 52 HB1 LEU 52 11.091 -2.071 -0.538 389 HG LEU 52 HG LEU 52 10.529 -4.452 -0.352 390 HD11 LEU 52 HD11 LEU 52 11.320 -4.935 1.851 391 HD12 LEU 52 HD12 LEU 52 9.588 -5.270 1.778 392 HD13 LEU 52 HD13 LEU 52 10.170 -3.798 2.553 393 HD21 LEU 52 HD21 LEU 52 8.176 -4.212 0.318 394 HD22 LEU 52 HD22 LEU 52 8.712 -2.934 -0.779 395 HD23 LEU 52 HD23 LEU 52 8.544 -2.606 0.946 396 H GLY 53 HN GLY 53 13.778 -1.002 1.945 397 HA2 GLY 53 HA2 GLY 53 15.763 0.137 1.272 398 HA3 GLY 53 HA1 GLY 53 15.239 0.011 -0.388 399 H PHE 54 HN PHE 54 12.610 0.835 1.532 400 HA PHE 54 HA PHE 54 12.524 3.415 0.358 401 HB2 PHE 54 HB2 PHE 54 10.740 2.075 2.397 402 HB3 PHE 54 HB1 PHE 54 10.440 3.675 1.735 403 HD1 PHE 54 HD1 PHE 54 9.662 3.975 -0.502 404 HD2 PHE 54 HD2 PHE 54 10.625 0.117 0.983 405 HE1 PHE 54 HE1 PHE 54 8.512 2.965 -2.416 406 HE2 PHE 54 HE2 PHE 54 9.492 -0.913 -0.919 407 HZ PHE 54 HZ PHE 54 8.506 0.558 -2.719 408 H ASP 55 HN ASP 55 12.172 5.411 1.505 409 HA ASP 55 HA ASP 55 13.100 5.827 4.159 410 HB2 ASP 55 HB2 ASP 55 15.242 5.370 2.701 411 HB3 ASP 55 HB1 ASP 55 14.952 7.006 2.112 412 H SER 56 HN SER 56 14.052 8.540 3.699 413 HA SER 56 HA SER 56 11.505 9.821 3.352 414 HB2 SER 56 HB2 SER 56 14.260 11.026 3.714 415 HB3 SER 56 HB1 SER 56 12.731 11.894 3.861 416 HG SER 56 HG SER 56 13.993 10.656 5.764 417 H LEU 57 HN LEU 57 12.340 8.495 1.029 418 HA LEU 57 HA LEU 57 12.327 10.640 -0.934 419 HB2 LEU 57 HB2 LEU 57 14.075 8.206 -1.077 420 HB3 LEU 57 HB1 LEU 57 14.007 9.496 -2.260 421 HG LEU 57 HG LEU 57 14.917 9.872 0.585 422 HD11 LEU 57 HD11 LEU 57 17.200 9.870 -0.309 423 HD12 LEU 57 HD12 LEU 57 16.573 9.416 -1.894 424 HD13 LEU 57 HD13 LEU 57 16.404 8.311 -0.529 425 HD21 LEU 57 HD21 LEU 57 15.203 11.591 -1.878 426 HD22 LEU 57 HD22 LEU 57 15.886 11.947 -0.291 427 HD23 LEU 57 HD23 LEU 57 14.137 11.895 -0.507 428 H THR 58 HN THR 58 12.648 7.128 -0.938 429 HA THR 58 HA THR 58 10.871 6.773 -3.109 430 HB THR 58 HB THR 58 11.105 4.296 -2.283 431 HG1 THR 58 HG1 THR 58 13.423 4.586 -1.145 432 HG21 THR 58 HG21 THR 58 13.488 5.894 -3.215 433 HG22 THR 58 HG22 THR 58 12.220 5.241 -4.252 434 HG23 THR 58 HG23 THR 58 13.288 4.149 -3.369 435 H ALA 59 HN ALA 59 10.559 6.310 0.383 436 HA ALA 59 HA ALA 59 8.034 5.168 0.453 437 HB1 ALA 59 HB1 ALA 59 9.527 5.497 2.427 438 HB2 ALA 59 HB2 ALA 59 7.864 6.012 2.715 439 HB3 ALA 59 HB3 ALA 59 9.121 7.212 2.402 440 H LEU 60 HN LEU 60 9.078 8.457 -0.002 441 HA LEU 60 HA LEU 60 6.602 9.731 0.353 442 HB2 LEU 60 HB2 LEU 60 9.088 10.493 -1.162 443 HB3 LEU 60 HB1 LEU 60 7.699 11.556 -1.043 444 HG LEU 60 HG LEU 60 9.491 12.132 0.570 445 HD11 LEU 60 HD11 LEU 60 6.959 11.136 1.840 446 HD12 LEU 60 HD12 LEU 60 7.185 12.708 1.069 447 HD13 LEU 60 HD13 LEU 60 8.081 12.304 2.534 448 HD21 LEU 60 HD21 LEU 60 10.367 9.918 1.044 449 HD22 LEU 60 HD22 LEU 60 8.833 9.457 1.787 450 HD23 LEU 60 HD23 LEU 60 9.834 10.703 2.532 451 H GLU 61 HN GLU 61 8.267 8.631 -2.606 452 HA GLU 61 HA GLU 61 6.039 9.370 -4.247 453 HB2 GLU 61 HB2 GLU 61 7.214 7.856 -5.961 454 HB3 GLU 61 HB1 GLU 61 8.022 9.334 -5.453 455 HG2 GLU 61 HG2 GLU 61 9.402 8.030 -3.914 456 HG3 GLU 61 HG1 GLU 61 8.599 6.560 -4.457 457 H LEU 62 HN LEU 62 6.983 6.453 -2.557 458 HA LEU 62 HA LEU 62 5.040 4.742 -3.728 459 HB2 LEU 62 HB2 LEU 62 6.803 3.810 -2.382 460 HB3 LEU 62 HB1 LEU 62 6.278 4.736 -0.991 461 HG LEU 62 HG LEU 62 4.177 3.485 -0.930 462 HD11 LEU 62 HD11 LEU 62 5.365 1.991 -3.243 463 HD12 LEU 62 HD12 LEU 62 3.909 2.985 -3.249 464 HD13 LEU 62 HD13 LEU 62 3.948 1.478 -2.329 465 HD21 LEU 62 HD21 LEU 62 5.079 1.442 -0.104 466 HD22 LEU 62 HD22 LEU 62 6.190 2.756 0.295 467 HD23 LEU 62 HD23 LEU 62 6.558 1.665 -1.041 468 H ARG 63 HN ARG 63 5.042 6.764 -0.847 469 HA ARG 63 HA ARG 63 2.462 6.258 0.081 470 HB2 ARG 63 HB2 ARG 63 3.903 7.496 1.478 471 HB3 ARG 63 HB1 ARG 63 4.356 8.598 0.187 472 HG2 ARG 63 HG2 ARG 63 1.794 9.232 0.298 473 HG3 ARG 63 HG1 ARG 63 1.974 8.631 1.949 474 HD2 ARG 63 HD2 ARG 63 2.372 11.054 1.788 475 HD3 ARG 63 HD1 ARG 63 3.794 10.175 2.346 476 HE ARG 63 HE ARG 63 4.470 10.320 -0.134 477 HH11 ARG 63 HH11 ARG 63 2.731 12.784 1.641 478 HH12 ARG 63 HH12 ARG 63 3.287 14.081 0.633 479 HH21 ARG 63 HH21 ARG 63 5.210 12.031 -1.465 480 HH22 ARG 63 HH22 ARG 63 4.692 13.652 -1.132 481 H ASP 64 HN ASP 64 3.798 8.610 -2.151 482 HA ASP 64 HA ASP 64 1.532 9.913 -3.024 483 HB2 ASP 64 HB2 ASP 64 3.897 10.483 -3.547 484 HB3 ASP 64 HB1 ASP 64 3.923 9.134 -4.669 485 H HIS 65 HN HIS 65 3.002 6.906 -4.162 486 HA HIS 65 HA HIS 65 1.273 6.400 -6.303 487 HB2 HIS 65 HB2 HIS 65 2.851 4.561 -4.544 488 HB3 HIS 65 HB1 HIS 65 1.953 4.007 -5.936 489 HD1 HIS 65 HD1 HIS 65 2.935 6.678 -7.638 490 HD2 HIS 65 HD2 HIS 65 5.208 3.814 -5.704 491 HE1 HIS 65 HE1 HIS 65 5.219 6.766 -8.710 492 HE2 HIS 65 HE2 HIS 65 6.506 4.902 -7.657 493 H LEU 66 HN LEU 66 1.056 5.482 -2.857 494 HA LEU 66 HA LEU 66 -1.154 3.744 -3.204 495 HB2 LEU 66 HB2 LEU 66 0.057 5.168 -0.883 496 HB3 LEU 66 HB1 LEU 66 -1.466 4.339 -0.685 497 HG LEU 66 HG LEU 66 -0.520 2.241 -0.872 498 HD11 LEU 66 HD11 LEU 66 0.563 2.556 -3.030 499 HD12 LEU 66 HD12 LEU 66 1.640 1.754 -1.892 500 HD13 LEU 66 HD13 LEU 66 1.858 3.466 -2.256 501 HD21 LEU 66 HD21 LEU 66 0.302 3.282 1.124 502 HD22 LEU 66 HD22 LEU 66 1.642 4.006 0.238 503 HD23 LEU 66 HD23 LEU 66 1.566 2.256 0.446 504 H GLN 67 HN GLN 67 -0.892 7.153 -2.428 505 HA GLN 67 HA GLN 67 -3.661 7.559 -1.883 506 HB2 GLN 67 HB2 GLN 67 -1.746 9.654 -2.859 507 HB3 GLN 67 HB1 GLN 67 -3.142 9.865 -1.810 508 HG2 GLN 67 HG2 GLN 67 -2.074 8.911 0.011 509 HG3 GLN 67 HG1 GLN 67 -0.873 8.134 -1.025 510 HE21 GLN 67 HE21 GLN 67 -0.245 10.379 -2.596 511 HE22 GLN 67 HE22 GLN 67 0.646 11.473 -1.613 512 H THR 68 HN THR 68 -1.626 7.878 -4.726 513 HA THR 68 HA THR 68 -3.626 8.882 -6.435 514 HB THR 68 HB THR 68 -0.884 7.841 -6.592 515 HG1 THR 68 HG1 THR 68 -0.589 9.847 -7.148 516 HG21 THR 68 HG21 THR 68 -0.892 7.674 -9.056 517 HG22 THR 68 HG22 THR 68 -2.653 7.799 -9.042 518 HG23 THR 68 HG23 THR 68 -1.857 6.417 -8.287 519 H ALA 69 HN ALA 69 -2.327 5.719 -5.780 520 HA ALA 69 HA ALA 69 -3.897 4.153 -7.422 521 HB1 ALA 69 HB1 ALA 69 -3.359 2.335 -5.873 522 HB2 ALA 69 HB2 ALA 69 -2.767 3.531 -4.716 523 HB3 ALA 69 HB3 ALA 69 -1.954 3.329 -6.269 524 H THR 70 HN THR 70 -4.513 5.088 -4.030 525 HA THR 70 HA THR 70 -7.018 3.604 -4.088 526 HB THR 70 HB THR 70 -7.145 4.063 -1.685 527 HG1 THR 70 HG1 THR 70 -4.639 5.392 -1.881 528 HG21 THR 70 HG21 THR 70 -5.150 2.874 -0.993 529 HG22 THR 70 HG22 THR 70 -4.354 3.280 -2.512 530 HG23 THR 70 HG23 THR 70 -5.747 2.195 -2.507 531 H GLY 71 HN GLY 71 -5.892 6.890 -3.911 532 HA2 GLY 71 HA2 GLY 71 -7.122 8.809 -4.482 533 HA3 GLY 71 HA1 GLY 71 -8.607 7.869 -4.372 534 H LEU 72 HN LEU 72 -6.641 7.220 -1.789 535 HA LEU 72 HA LEU 72 -8.308 8.859 -0.028 536 HB2 LEU 72 HB2 LEU 72 -6.652 6.374 0.347 537 HB3 LEU 72 HB1 LEU 72 -7.209 7.304 1.721 538 HG LEU 72 HG LEU 72 -8.612 5.318 1.231 539 HD11 LEU 72 HD11 LEU 72 -10.071 7.927 0.866 540 HD12 LEU 72 HD12 LEU 72 -9.546 7.249 2.409 541 HD13 LEU 72 HD13 LEU 72 -10.758 6.404 1.444 542 HD21 LEU 72 HD21 LEU 72 -9.397 6.788 -1.273 543 HD22 LEU 72 HD22 LEU 72 -10.108 5.292 -0.667 544 HD23 LEU 72 HD23 LEU 72 -8.431 5.317 -1.203 545 H ASN 73 HN ASN 73 -6.666 8.982 2.199 546 HA ASN 73 HA ASN 73 -4.484 10.683 1.205 547 HB2 ASN 73 HB2 ASN 73 -6.527 11.956 2.026 548 HB3 ASN 73 HB1 ASN 73 -6.158 11.335 3.631 549 HD21 ASN 73 HD21 ASN 73 -6.205 14.079 2.677 550 HD22 ASN 73 HD22 ASN 73 -4.631 14.724 2.990 551 H LEU 74 HN LEU 74 -2.812 9.394 1.653 552 HA LEU 74 HA LEU 74 -2.624 8.108 4.244 553 HB2 LEU 74 HB2 LEU 74 -0.963 7.866 1.741 554 HB3 LEU 74 HB1 LEU 74 -0.618 7.008 3.238 555 HG LEU 74 HG LEU 74 -3.079 6.140 2.960 556 HD11 LEU 74 HD11 LEU 74 -3.800 5.864 0.673 557 HD12 LEU 74 HD12 LEU 74 -2.362 6.703 0.083 558 HD13 LEU 74 HD13 LEU 74 -3.582 7.584 1.001 559 HD21 LEU 74 HD21 LEU 74 -0.676 5.206 1.433 560 HD22 LEU 74 HD22 LEU 74 -2.170 4.283 1.546 561 HD23 LEU 74 HD23 LEU 74 -1.255 4.656 3.006 562 H SER 75 HN SER 75 0.402 8.167 4.240 563 HA SER 75 HA SER 75 0.668 10.957 5.106 564 HB2 SER 75 HB2 SER 75 -0.245 9.604 7.002 565 HB3 SER 75 HB1 SER 75 1.228 8.637 6.960 566 HG SER 75 HG SER 75 0.863 11.317 7.717 567 H SER 76 HN SER 76 2.952 11.388 5.985 568 HA SER 76 HA SER 76 4.754 10.848 3.891 569 HB2 SER 76 HB2 SER 76 4.790 12.871 5.358 570 HB3 SER 76 HB1 SER 76 5.423 11.867 6.659 571 HG SER 76 HG SER 76 6.683 12.893 4.440 572 H THR 77 HN THR 77 4.621 9.581 7.207 573 HA THR 77 HA THR 77 6.833 7.756 6.579 574 HB THR 77 HB THR 77 6.816 7.334 9.085 575 HG1 THR 77 HG1 THR 77 5.394 8.358 10.278 576 HG21 THR 77 HG21 THR 77 8.476 8.757 8.022 577 HG22 THR 77 HG22 THR 77 8.011 9.426 9.587 578 HG23 THR 77 HG23 THR 77 7.373 10.129 8.100 579 H LEU 78 HN LEU 78 4.252 7.510 5.580 580 HA LEU 78 HA LEU 78 2.371 5.971 6.797 581 HB2 LEU 78 HB2 LEU 78 2.267 7.090 4.605 582 HB3 LEU 78 HB1 LEU 78 3.329 5.876 3.951 583 HG LEU 78 HG LEU 78 0.720 5.837 3.589 584 HD11 LEU 78 HD11 LEU 78 2.528 3.480 3.962 585 HD12 LEU 78 HD12 LEU 78 2.123 4.335 2.460 586 HD13 LEU 78 HD13 LEU 78 0.901 3.364 3.292 587 HD21 LEU 78 HD21 LEU 78 -0.118 3.990 5.196 588 HD22 LEU 78 HD22 LEU 78 -0.147 5.678 5.697 589 HD23 LEU 78 HD23 LEU 78 1.140 4.613 6.273 590 H ILE 79 HN ILE 79 4.916 4.676 4.683 591 HA ILE 79 HA ILE 79 4.378 1.962 5.474 592 HB ILE 79 HB ILE 79 6.169 1.378 3.964 593 HG12 ILE 79 HG12 ILE 79 6.772 4.321 4.022 594 HG13 ILE 79 HG11 ILE 79 7.853 2.986 4.407 595 HG21 ILE 79 HG21 ILE 79 4.456 3.618 2.911 596 HG22 ILE 79 HG22 ILE 79 4.061 1.895 2.927 597 HG23 ILE 79 HG23 ILE 79 5.382 2.491 1.920 598 HD11 ILE 79 HD11 ILE 79 6.824 3.852 1.737 599 HD12 ILE 79 HD12 ILE 79 7.613 2.290 1.997 600 HD13 ILE 79 HD13 ILE 79 8.496 3.786 2.299 601 H PHE 80 HN PHE 80 5.827 4.232 7.216 602 HA PHE 80 HA PHE 80 7.676 2.289 8.422 603 HB2 PHE 80 HB2 PHE 80 7.804 5.312 8.498 604 HB3 PHE 80 HB1 PHE 80 8.916 4.227 9.332 605 HD1 PHE 80 HD1 PHE 80 9.023 6.377 6.861 606 HD2 PHE 80 HD2 PHE 80 9.438 2.171 7.342 607 HE1 PHE 80 HE1 PHE 80 10.466 6.313 4.872 608 HE2 PHE 80 HE2 PHE 80 10.870 2.084 5.347 609 HZ PHE 80 HZ PHE 80 11.271 4.080 4.029 610 H ASP 81 HN ASP 81 4.852 3.996 8.616 611 HA ASP 81 HA ASP 81 4.498 3.789 11.475 612 HB2 ASP 81 HB2 ASP 81 3.341 5.393 9.613 613 HB3 ASP 81 HB1 ASP 81 2.194 4.070 9.657 614 H HIS 82 HN HIS 82 3.594 2.316 8.489 615 HA HIS 82 HA HIS 82 2.629 -0.088 9.854 616 HB2 HIS 82 HB2 HIS 82 1.831 0.877 7.100 617 HB3 HIS 82 HB1 HIS 82 1.073 -0.392 8.050 618 HD1 HIS 82 HD1 HIS 82 -0.434 0.370 10.055 619 HD2 HIS 82 HD2 HIS 82 1.059 3.461 7.715 620 HE1 HIS 82 HE1 HIS 82 -1.657 2.429 10.804 621 HE2 HIS 82 HE2 HIS 82 -0.582 4.317 9.529 622 HA PRO 83 HA PRO 83 6.634 -1.010 8.426 623 HB2 PRO 83 HB2 PRO 83 6.631 -3.701 9.021 624 HB3 PRO 83 HB1 PRO 83 6.910 -2.413 10.195 625 HG2 PRO 83 HG2 PRO 83 4.388 -3.918 9.596 626 HG3 PRO 83 HG1 PRO 83 5.063 -3.432 11.167 627 HD2 PRO 83 HD2 PRO 83 3.055 -2.062 10.027 628 HD3 PRO 83 HD1 PRO 83 4.330 -1.240 10.936 629 H THR 84 HN THR 84 4.061 -3.212 7.348 630 HA THR 84 HA THR 84 5.740 -3.830 5.032 631 HB THR 84 HB THR 84 4.683 -6.031 4.979 632 HG1 THR 84 HG1 THR 84 3.566 -6.426 7.218 633 HG21 THR 84 HG21 THR 84 5.817 -5.414 7.712 634 HG22 THR 84 HG22 THR 84 6.776 -5.700 6.262 635 HG23 THR 84 HG23 THR 84 5.774 -6.995 6.924 636 HA PRO 85 HA PRO 85 2.429 -2.642 2.311 637 HB2 PRO 85 HB2 PRO 85 2.766 -5.281 1.005 638 HB3 PRO 85 HB1 PRO 85 2.864 -3.668 0.298 639 HG2 PRO 85 HG2 PRO 85 5.052 -5.166 0.710 640 HG3 PRO 85 HG1 PRO 85 5.076 -3.402 0.875 641 HD2 PRO 85 HD2 PRO 85 5.055 -5.497 2.981 642 HD3 PRO 85 HD1 PRO 85 5.837 -3.911 2.980 643 H HIS 86 HN HIS 86 2.579 -5.499 4.108 644 HA HIS 86 HA HIS 86 -0.147 -6.348 3.756 645 HB2 HIS 86 HB2 HIS 86 1.160 -8.094 4.493 646 HB3 HIS 86 HB1 HIS 86 2.168 -7.071 5.481 647 HD1 HIS 86 HD1 HIS 86 -0.581 -9.460 5.687 648 HD2 HIS 86 HD2 HIS 86 0.894 -6.335 8.003 649 HE1 HIS 86 HE1 HIS 86 -1.517 -9.831 7.988 650 HE2 HIS 86 HE2 HIS 86 -0.771 -7.826 9.314 651 H ALA 87 HN ALA 87 1.708 -4.549 6.137 652 HA ALA 87 HA ALA 87 -0.491 -4.031 7.887 653 HB1 ALA 87 HB1 ALA 87 1.863 -4.108 8.649 654 HB2 ALA 87 HB2 ALA 87 1.068 -2.596 9.076 655 HB3 ALA 87 HB3 ALA 87 2.187 -2.647 7.714 656 H VAL 88 HN VAL 88 0.800 -2.662 5.093 657 HA VAL 88 HA VAL 88 -0.365 -0.041 5.504 658 HB VAL 88 HB VAL 88 1.138 -1.275 3.219 659 HG11 VAL 88 HG11 VAL 88 0.046 1.507 3.478 660 HG12 VAL 88 HG12 VAL 88 -0.414 0.284 2.295 661 HG13 VAL 88 HG13 VAL 88 1.201 0.992 2.249 662 HG21 VAL 88 HG21 VAL 88 2.897 0.313 3.844 663 HG22 VAL 88 HG22 VAL 88 2.511 -0.806 5.151 664 HG23 VAL 88 HG23 VAL 88 1.908 0.854 5.201 665 H ALA 89 HN ALA 89 -0.829 -2.847 3.406 666 HA ALA 89 HA ALA 89 -2.961 -1.783 1.938 667 HB1 ALA 89 HB1 ALA 89 -3.582 -4.158 1.492 668 HB2 ALA 89 HB2 ALA 89 -2.299 -4.644 2.604 669 HB3 ALA 89 HB3 ALA 89 -1.907 -3.752 1.134 670 H GLU 90 HN GLU 90 -2.917 -3.530 5.076 671 HA GLU 90 HA GLU 90 -5.787 -3.515 5.226 672 HB2 GLU 90 HB2 GLU 90 -5.403 -4.125 7.623 673 HB3 GLU 90 HB1 GLU 90 -4.627 -5.200 6.465 674 HG2 GLU 90 HG2 GLU 90 -2.510 -4.150 6.837 675 HG3 GLU 90 HG1 GLU 90 -3.240 -2.958 7.904 676 H HIS 91 HN HIS 91 -3.214 -1.375 6.070 677 HA HIS 91 HA HIS 91 -4.677 0.442 7.628 678 HB2 HIS 91 HB2 HIS 91 -2.323 0.635 7.714 679 HB3 HIS 91 HB1 HIS 91 -2.183 0.701 5.955 680 HD1 HIS 91 HD1 HIS 91 -3.477 2.820 8.844 681 HD2 HIS 91 HD2 HIS 91 -2.175 3.178 4.913 682 HE1 HIS 91 HE1 HIS 91 -3.395 5.288 8.388 683 HE2 HIS 91 HE2 HIS 91 -2.426 5.495 6.075 684 H LEU 92 HN LEU 92 -4.502 -0.177 4.231 685 HA LEU 92 HA LEU 92 -5.648 2.302 3.420 686 HB2 LEU 92 HB2 LEU 92 -4.893 -0.248 2.107 687 HB3 LEU 92 HB1 LEU 92 -6.140 0.715 1.320 688 HG LEU 92 HG LEU 92 -4.694 2.501 0.914 689 HD11 LEU 92 HD11 LEU 92 -3.000 1.347 3.102 690 HD12 LEU 92 HD12 LEU 92 -3.700 2.966 2.978 691 HD13 LEU 92 HD13 LEU 92 -2.349 2.501 1.942 692 HD21 LEU 92 HD21 LEU 92 -2.732 1.556 -0.148 693 HD22 LEU 92 HD22 LEU 92 -4.155 0.559 -0.458 694 HD23 LEU 92 HD23 LEU 92 -2.965 0.052 0.741 695 H LEU 93 HN LEU 93 -6.841 -0.470 4.854 696 HA LEU 93 HA LEU 93 -9.545 -0.353 3.874 697 HB2 LEU 93 HB2 LEU 93 -8.233 -1.729 6.184 698 HB3 LEU 93 HB1 LEU 93 -9.969 -1.734 6.000 699 HG LEU 93 HG LEU 93 -9.882 -3.095 4.091 700 HD11 LEU 93 HD11 LEU 93 -7.739 -3.684 2.980 701 HD12 LEU 93 HD12 LEU 93 -6.934 -2.467 3.981 702 HD13 LEU 93 HD13 LEU 93 -8.175 -1.981 2.823 703 HD21 LEU 93 HD21 LEU 93 -9.353 -4.201 6.226 704 HD22 LEU 93 HD22 LEU 93 -7.635 -3.995 5.877 705 HD23 LEU 93 HD23 LEU 93 -8.637 -5.012 4.836 706 H GLU 94 HN GLU 94 -7.665 0.922 6.434 707 HA GLU 94 HA GLU 94 -9.651 1.904 8.150 708 HB2 GLU 94 HB2 GLU 94 -6.814 2.649 7.540 709 HB3 GLU 94 HB1 GLU 94 -7.744 3.552 8.743 710 HG2 GLU 94 HG2 GLU 94 -7.115 0.607 8.788 711 HG3 GLU 94 HG1 GLU 94 -6.392 1.849 9.808 712 H GLN 95 HN GLN 95 -8.365 3.039 5.158 713 HA GLN 95 HA GLN 95 -9.373 5.713 5.357 714 HB2 GLN 95 HB2 GLN 95 -8.568 4.291 2.839 715 HB3 GLN 95 HB1 GLN 95 -8.361 5.987 3.257 716 HG2 GLN 95 HG2 GLN 95 -6.906 3.736 4.609 717 HG3 GLN 95 HG1 GLN 95 -6.264 4.646 3.253 718 HE21 GLN 95 HE21 GLN 95 -5.402 4.325 6.035 719 HE22 GLN 95 HE22 GLN 95 -5.247 5.928 6.665 720 H ILE 96 HN ILE 96 -10.568 2.657 4.509 721 HA ILE 96 HA ILE 96 -12.371 3.439 2.441 722 HB ILE 96 HB ILE 96 -12.054 0.869 3.966 723 HG12 ILE 96 HG12 ILE 96 -10.037 1.722 2.882 724 HG13 ILE 96 HG11 ILE 96 -10.586 0.225 2.174 725 HG21 ILE 96 HG21 ILE 96 -13.146 -0.254 2.187 726 HG22 ILE 96 HG22 ILE 96 -13.235 1.227 1.236 727 HG23 ILE 96 HG23 ILE 96 -14.197 1.064 2.707 728 HD11 ILE 96 HD11 ILE 96 -9.779 1.954 0.558 729 HD12 ILE 96 HD12 ILE 96 -11.183 2.931 1.016 730 HD13 ILE 96 HD13 ILE 96 -11.413 1.357 0.254 731 HA PRO 97 HA PRO 97 -15.751 4.694 4.847 732 HB2 PRO 97 HB2 PRO 97 -17.662 4.628 2.989 733 HB3 PRO 97 HB1 PRO 97 -16.275 5.720 2.849 734 HG2 PRO 97 HG2 PRO 97 -16.668 3.025 1.598 735 HG3 PRO 97 HG1 PRO 97 -16.173 4.533 0.825 736 HD2 PRO 97 HD2 PRO 97 -14.398 2.666 1.576 737 HD3 PRO 97 HD1 PRO 97 -14.030 4.388 1.643 738 H GLY 98 HN GLY 98 -15.809 2.778 6.297 739 HA2 GLY 98 HA2 GLY 98 -17.271 1.446 7.489 740 HA3 GLY 98 HA1 GLY 98 -18.462 1.689 6.226 741 H ILE 99 HN ILE 99 -17.585 0.574 4.058 742 HA ILE 99 HA ILE 99 -17.854 -2.167 4.315 743 HB ILE 99 HB ILE 99 -16.485 -2.118 2.033 744 HG12 ILE 99 HG12 ILE 99 -17.565 0.640 1.883 745 HG13 ILE 99 HG11 ILE 99 -16.058 0.429 2.762 746 HG21 ILE 99 HG21 ILE 99 -18.582 -1.597 0.875 747 HG22 ILE 99 HG22 ILE 99 -19.254 -0.984 2.388 748 HG23 ILE 99 HG23 ILE 99 -18.830 -2.689 2.238 749 HD11 ILE 99 HD11 ILE 99 -15.040 -0.572 0.812 750 HD12 ILE 99 HD12 ILE 99 -15.674 1.038 0.450 751 HD13 ILE 99 HD13 ILE 99 -16.555 -0.401 -0.084 752 H GLY 100 HN GLY 100 -14.986 -0.220 4.558 753 HA2 GLY 100 HA2 GLY 100 -13.287 -2.596 4.572 754 HA3 GLY 100 HA1 GLY 100 -12.740 -0.927 4.480 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 -5.873 12.118 -1.447 2 H2 GLY 1 HT2 GLY 1 -7.308 11.302 -1.825 3 H3 GLY 1 HT3 GLY 1 -7.238 12.309 -0.468 4 HA2 GLY 1 HA1 GLY 1 -6.926 14.245 -1.863 5 HA3 GLY 1 HA2 GLY 1 -6.976 13.207 -3.281 6 H SER 2 HN SER 2 -8.849 13.427 -4.317 7 HA SER 2 HA SER 2 -11.303 13.647 -2.698 8 HB2 SER 2 HB2 SER 2 -12.278 14.821 -4.704 9 HB3 SER 2 HB1 SER 2 -10.977 15.705 -3.906 10 HG SER 2 HG SER 2 -9.786 15.512 -5.634 11 H THR 3 HN THR 3 -9.586 11.508 -4.321 12 HA THR 3 HA THR 3 -11.752 10.306 -5.874 13 HB THR 3 HB THR 3 -8.855 9.449 -5.659 14 HG1 THR 3 HG1 THR 3 -8.536 11.229 -6.767 15 HG21 THR 3 HG21 THR 3 -9.263 8.274 -7.744 16 HG22 THR 3 HG22 THR 3 -10.928 8.853 -7.771 17 HG23 THR 3 HG23 THR 3 -10.406 7.728 -6.516 18 H ALA 4 HN ALA 4 -12.399 8.107 -5.494 19 HA ALA 4 HA ALA 4 -11.245 6.559 -3.381 20 HB1 ALA 4 HB1 ALA 4 -14.022 7.657 -2.908 21 HB2 ALA 4 HB2 ALA 4 -12.570 8.124 -2.024 22 HB3 ALA 4 HB3 ALA 4 -13.184 6.475 -1.903 23 H THR 5 HN THR 5 -14.318 6.995 -5.158 24 HA THR 5 HA THR 5 -15.148 4.389 -5.357 25 HB THR 5 HB THR 5 -15.330 6.447 -7.563 26 HG1 THR 5 HG1 THR 5 -16.819 7.390 -6.373 27 HG21 THR 5 HG21 THR 5 -17.386 5.259 -8.190 28 HG22 THR 5 HG22 THR 5 -17.078 4.063 -6.933 29 HG23 THR 5 HG23 THR 5 -15.979 4.204 -8.304 30 H LEU 6 HN LEU 6 -12.485 5.848 -6.956 31 HA LEU 6 HA LEU 6 -11.892 4.068 -8.975 32 HB2 LEU 6 HB2 LEU 6 -10.535 5.992 -8.710 33 HB3 LEU 6 HB1 LEU 6 -10.165 5.588 -7.046 34 HG LEU 6 HG LEU 6 -8.739 3.754 -7.769 35 HD11 LEU 6 HD11 LEU 6 -9.930 3.127 -9.810 36 HD12 LEU 6 HD12 LEU 6 -8.222 3.421 -10.135 37 HD13 LEU 6 HD13 LEU 6 -9.423 4.632 -10.575 38 HD21 LEU 6 HD21 LEU 6 -8.132 6.326 -9.220 39 HD22 LEU 6 HD22 LEU 6 -6.966 5.085 -8.760 40 HD23 LEU 6 HD23 LEU 6 -7.813 6.006 -7.517 41 H LEU 7 HN LEU 7 -10.512 3.874 -5.684 42 HA LEU 7 HA LEU 7 -9.936 1.074 -6.124 43 HB2 LEU 7 HB2 LEU 7 -8.838 3.119 -4.539 44 HB3 LEU 7 HB1 LEU 7 -9.515 1.943 -3.422 45 HG LEU 7 HG LEU 7 -7.137 1.491 -3.939 46 HD11 LEU 7 HD11 LEU 7 -8.776 -0.238 -3.244 47 HD12 LEU 7 HD12 LEU 7 -7.443 -0.877 -4.210 48 HD13 LEU 7 HD13 LEU 7 -9.034 -0.629 -4.946 49 HD21 LEU 7 HD21 LEU 7 -6.462 0.724 -6.089 50 HD22 LEU 7 HD22 LEU 7 -7.318 2.248 -6.343 51 HD23 LEU 7 HD23 LEU 7 -8.123 0.716 -6.678 52 H THR 8 HN THR 8 -12.174 3.035 -4.380 53 HA THR 8 HA THR 8 -13.100 1.189 -2.493 54 HB THR 8 HB THR 8 -14.401 3.555 -3.796 55 HG1 THR 8 HG1 THR 8 -12.685 4.039 -2.419 56 HG21 THR 8 HG21 THR 8 -16.112 3.495 -2.047 57 HG22 THR 8 HG22 THR 8 -15.445 1.979 -1.443 58 HG23 THR 8 HG23 THR 8 -16.182 2.041 -3.044 59 H SER 9 HN SER 9 -13.886 1.609 -5.878 60 HA SER 9 HA SER 9 -16.161 -0.084 -5.934 61 HB2 SER 9 HB2 SER 9 -15.796 1.441 -7.751 62 HB3 SER 9 HB1 SER 9 -14.199 0.774 -8.073 63 HG SER 9 HG SER 9 -16.642 -0.668 -8.316 64 H LYS 10 HN LYS 10 -12.751 -0.629 -5.837 65 HA LYS 10 HA LYS 10 -12.787 -3.400 -6.528 66 HB2 LYS 10 HB2 LYS 10 -10.711 -1.947 -6.503 67 HB3 LYS 10 HB1 LYS 10 -10.827 -1.934 -4.747 68 HG2 LYS 10 HG2 LYS 10 -9.192 -3.536 -5.356 69 HG3 LYS 10 HG1 LYS 10 -10.609 -4.400 -4.767 70 HD2 LYS 10 HD2 LYS 10 -10.524 -3.925 -7.674 71 HD3 LYS 10 HD1 LYS 10 -9.293 -5.020 -7.046 72 HE2 LYS 10 HE2 LYS 10 -11.052 -6.365 -5.984 73 HE3 LYS 10 HE1 LYS 10 -12.272 -5.284 -6.649 74 HZ1 LYS 10 HZ1 LYS 10 -11.550 -5.904 -8.872 75 HZ2 LYS 10 HZ2 LYS 10 -12.024 -7.267 -7.993 76 HZ3 LYS 10 HZ3 LYS 10 -10.382 -6.943 -8.225 77 H LEU 11 HN LEU 11 -12.424 -1.699 -3.435 78 HA LEU 11 HA LEU 11 -12.473 -4.002 -1.842 79 HB2 LEU 11 HB2 LEU 11 -13.252 -1.209 -1.038 80 HB3 LEU 11 HB1 LEU 11 -12.885 -2.514 0.062 81 HG LEU 11 HG LEU 11 -10.883 -1.445 0.109 82 HD11 LEU 11 HD11 LEU 11 -10.534 -3.710 -0.811 83 HD12 LEU 11 HD12 LEU 11 -9.277 -2.564 -1.284 84 HD13 LEU 11 HD13 LEU 11 -10.540 -3.014 -2.436 85 HD21 LEU 11 HD21 LEU 11 -11.036 -0.719 -2.804 86 HD22 LEU 11 HD22 LEU 11 -9.991 -0.035 -1.554 87 HD23 LEU 11 HD23 LEU 11 -11.725 0.288 -1.529 88 H ALA 12 HN ALA 12 -15.056 -2.101 -3.141 89 HA ALA 12 HA ALA 12 -17.175 -2.919 -1.520 90 HB1 ALA 12 HB1 ALA 12 -17.358 -1.144 -3.189 91 HB2 ALA 12 HB2 ALA 12 -18.605 -2.368 -3.428 92 HB3 ALA 12 HB3 ALA 12 -17.190 -2.333 -4.481 93 H GLY 13 HN GLY 13 -15.420 -4.591 -3.998 94 HA2 GLY 13 HA2 GLY 13 -17.360 -6.749 -4.176 95 HA3 GLY 13 HA1 GLY 13 -15.848 -6.615 -5.065 96 H LEU 14 HN LEU 14 -14.778 -5.949 -2.153 97 HA LEU 14 HA LEU 14 -14.134 -8.749 -1.570 98 HB2 LEU 14 HB2 LEU 14 -12.765 -6.187 -0.887 99 HB3 LEU 14 HB1 LEU 14 -12.305 -7.699 -0.196 100 HG LEU 14 HG LEU 14 -10.805 -7.707 -1.838 101 HD11 LEU 14 HD11 LEU 14 -11.518 -8.888 -3.816 102 HD12 LEU 14 HD12 LEU 14 -13.202 -8.480 -3.475 103 HD13 LEU 14 HD13 LEU 14 -12.313 -9.545 -2.380 104 HD21 LEU 14 HD21 LEU 14 -12.667 -5.933 -3.377 105 HD22 LEU 14 HD22 LEU 14 -11.062 -6.424 -3.920 106 HD23 LEU 14 HD23 LEU 14 -11.241 -5.452 -2.457 107 H THR 15 HN THR 15 -13.634 -9.180 0.648 108 HA THR 15 HA THR 15 -15.273 -7.751 2.609 109 HB THR 15 HB THR 15 -14.858 -9.682 4.047 110 HG1 THR 15 HG1 THR 15 -13.437 -11.010 2.004 111 HG21 THR 15 HG21 THR 15 -16.640 -9.912 2.381 112 HG22 THR 15 HG22 THR 15 -15.853 -11.465 2.675 113 HG23 THR 15 HG23 THR 15 -15.467 -10.539 1.219 114 H ALA 16 HN ALA 16 -14.008 -7.284 4.719 115 HA ALA 16 HA ALA 16 -11.968 -5.531 4.274 116 HB1 ALA 16 HB1 ALA 16 -13.087 -5.698 6.416 117 HB2 ALA 16 HB2 ALA 16 -11.341 -5.792 6.638 118 HB3 ALA 16 HB3 ALA 16 -12.322 -7.254 6.725 119 H THR 17 HN THR 17 -11.572 -8.990 4.982 120 HA THR 17 HA THR 17 -8.775 -9.033 5.033 121 HB THR 17 HB THR 17 -10.685 -11.241 4.257 122 HG1 THR 17 HG1 THR 17 -9.633 -11.477 6.716 123 HG21 THR 17 HG21 THR 17 -7.834 -11.379 5.230 124 HG22 THR 17 HG22 THR 17 -8.374 -11.695 3.582 125 HG23 THR 17 HG23 THR 17 -8.886 -12.755 4.898 126 H GLU 18 HN GLU 18 -11.027 -9.612 2.310 127 HA GLU 18 HA GLU 18 -8.956 -10.150 0.470 128 HB2 GLU 18 HB2 GLU 18 -11.821 -9.343 0.038 129 HB3 GLU 18 HB1 GLU 18 -10.745 -9.988 -1.182 130 HG2 GLU 18 HG2 GLU 18 -10.634 -12.088 -0.017 131 HG3 GLU 18 HG1 GLU 18 -11.599 -11.420 1.297 132 H GLN 19 HN GLN 19 -10.655 -7.301 1.532 133 HA GLN 19 HA GLN 19 -9.734 -5.486 -0.402 134 HB2 GLN 19 HB2 GLN 19 -10.347 -5.055 2.521 135 HB3 GLN 19 HB1 GLN 19 -10.206 -3.784 1.322 136 HG2 GLN 19 HG2 GLN 19 -12.097 -4.626 0.142 137 HG3 GLN 19 HG1 GLN 19 -12.191 -6.018 1.194 138 HE21 GLN 19 HE21 GLN 19 -14.261 -4.160 0.645 139 HE22 GLN 19 HE22 GLN 19 -14.674 -3.415 2.155 140 H ARG 20 HN ARG 20 -8.367 -6.668 2.620 141 HA ARG 20 HA ARG 20 -5.937 -5.247 2.582 142 HB2 ARG 20 HB2 ARG 20 -6.023 -8.159 3.331 143 HB3 ARG 20 HB1 ARG 20 -5.061 -6.870 4.040 144 HG2 ARG 20 HG2 ARG 20 -7.101 -5.917 4.990 145 HG3 ARG 20 HG1 ARG 20 -8.026 -7.275 4.334 146 HD2 ARG 20 HD2 ARG 20 -6.699 -8.810 5.674 147 HD3 ARG 20 HD1 ARG 20 -5.738 -7.475 6.298 148 HE ARG 20 HE ARG 20 -8.456 -7.001 6.837 149 HH11 ARG 20 HH11 ARG 20 -5.843 -9.105 7.830 150 HH12 ARG 20 HH12 ARG 20 -6.463 -9.332 9.432 151 HH21 ARG 20 HH21 ARG 20 -9.270 -7.283 8.955 152 HH22 ARG 20 HH22 ARG 20 -8.405 -8.288 10.076 153 H ALA 21 HN ALA 21 -6.884 -8.306 1.150 154 HA ALA 21 HA ALA 21 -4.396 -9.095 0.154 155 HB1 ALA 21 HB1 ALA 21 -5.634 -10.677 -1.209 156 HB2 ALA 21 HB2 ALA 21 -7.124 -9.779 -0.919 157 HB3 ALA 21 HB3 ALA 21 -6.311 -10.594 0.417 158 H VAL 22 HN VAL 22 -6.951 -7.222 -1.393 159 HA VAL 22 HA VAL 22 -5.784 -7.350 -3.967 160 HB VAL 22 HB VAL 22 -7.376 -5.503 -4.555 161 HG11 VAL 22 HG11 VAL 22 -8.653 -7.792 -3.067 162 HG12 VAL 22 HG12 VAL 22 -7.903 -7.948 -4.656 163 HG13 VAL 22 HG13 VAL 22 -9.308 -6.906 -4.444 164 HG21 VAL 22 HG21 VAL 22 -9.100 -4.938 -2.866 165 HG22 VAL 22 HG22 VAL 22 -7.496 -4.352 -2.430 166 HG23 VAL 22 HG23 VAL 22 -8.151 -5.794 -1.648 167 H THR 23 HN THR 23 -5.642 -4.771 -1.468 168 HA THR 23 HA THR 23 -3.701 -3.473 -3.200 169 HB THR 23 HB THR 23 -5.141 -1.945 -2.269 170 HG1 THR 23 HG1 THR 23 -2.973 -1.434 -0.630 171 HG21 THR 23 HG21 THR 23 -5.515 -1.548 0.064 172 HG22 THR 23 HG22 THR 23 -4.308 -2.759 0.483 173 HG23 THR 23 HG23 THR 23 -5.824 -3.256 -0.266 174 H ARG 24 HN ARG 24 -3.617 -5.721 -0.624 175 HA ARG 24 HA ARG 24 -0.920 -5.287 0.129 176 HB2 ARG 24 HB2 ARG 24 -2.282 -6.988 1.247 177 HB3 ARG 24 HB1 ARG 24 -2.448 -7.875 -0.257 178 HG2 ARG 24 HG2 ARG 24 0.201 -7.868 -0.102 179 HG3 ARG 24 HG1 ARG 24 -0.167 -7.722 1.619 180 HD2 ARG 24 HD2 ARG 24 -1.598 -9.699 1.467 181 HD3 ARG 24 HD1 ARG 24 -1.215 -9.838 -0.247 182 HE ARG 24 HE ARG 24 1.166 -9.838 1.243 183 HH11 ARG 24 HH11 ARG 24 -1.609 -11.874 0.623 184 HH12 ARG 24 HH12 ARG 24 -0.735 -13.351 0.872 185 HH21 ARG 24 HH21 ARG 24 2.318 -11.764 1.569 186 HH22 ARG 24 HH22 ARG 24 1.501 -13.292 1.415 187 H LYS 25 HN LYS 25 -2.491 -6.110 -2.714 188 HA LYS 25 HA LYS 25 -0.096 -6.923 -4.104 189 HB2 LYS 25 HB2 LYS 25 -1.792 -8.189 -4.935 190 HB3 LYS 25 HB1 LYS 25 -3.019 -7.022 -4.509 191 HG2 LYS 25 HG2 LYS 25 -2.950 -7.329 -6.890 192 HG3 LYS 25 HG1 LYS 25 -2.449 -5.696 -6.464 193 HD2 LYS 25 HD2 LYS 25 -0.066 -6.496 -6.667 194 HD3 LYS 25 HD1 LYS 25 -0.707 -8.003 -7.328 195 HE2 LYS 25 HE2 LYS 25 -1.812 -6.728 -9.114 196 HE3 LYS 25 HE1 LYS 25 -1.129 -5.240 -8.463 197 HZ1 LYS 25 HZ1 LYS 25 1.076 -6.071 -8.919 198 HZ2 LYS 25 HZ2 LYS 25 0.148 -6.102 -10.330 199 HZ3 LYS 25 HZ3 LYS 25 0.446 -7.535 -9.487 200 H LEU 26 HN LEU 26 -2.432 -4.207 -3.867 201 HA LEU 26 HA LEU 26 -1.279 -2.715 -5.967 202 HB2 LEU 26 HB2 LEU 26 -3.558 -2.348 -5.334 203 HB3 LEU 26 HB1 LEU 26 -3.085 -1.924 -3.706 204 HG LEU 26 HG LEU 26 -3.785 -0.054 -5.310 205 HD11 LEU 26 HD11 LEU 26 -1.187 0.309 -3.889 206 HD12 LEU 26 HD12 LEU 26 -2.724 0.086 -3.053 207 HD13 LEU 26 HD13 LEU 26 -2.488 1.483 -4.113 208 HD21 LEU 26 HD21 LEU 26 -2.019 0.919 -6.648 209 HD22 LEU 26 HD22 LEU 26 -2.415 -0.709 -7.204 210 HD23 LEU 26 HD23 LEU 26 -0.963 -0.437 -6.241 211 H VAL 27 HN VAL 27 -0.984 -2.250 -2.393 212 HA VAL 27 HA VAL 27 0.858 -0.159 -2.542 213 HB VAL 27 HB VAL 27 -0.086 -0.658 -0.378 214 HG11 VAL 27 HG11 VAL 27 -0.424 -3.003 -0.473 215 HG12 VAL 27 HG12 VAL 27 0.670 -2.692 0.877 216 HG13 VAL 27 HG13 VAL 27 1.301 -3.308 -0.651 217 HG21 VAL 27 HG21 VAL 27 1.911 -0.676 1.022 218 HG22 VAL 27 HG22 VAL 27 2.159 0.348 -0.394 219 HG23 VAL 27 HG23 VAL 27 2.873 -1.267 -0.334 220 H LEU 28 HN LEU 28 1.221 -3.567 -2.652 221 HA LEU 28 HA LEU 28 3.987 -3.850 -2.721 222 HB2 LEU 28 HB2 LEU 28 1.893 -5.514 -2.711 223 HB3 LEU 28 HB1 LEU 28 2.273 -5.572 -4.417 224 HG LEU 28 HG LEU 28 4.437 -6.491 -3.980 225 HD11 LEU 28 HD11 LEU 28 5.096 -5.241 -2.078 226 HD12 LEU 28 HD12 LEU 28 5.121 -6.946 -1.626 227 HD13 LEU 28 HD13 LEU 28 3.784 -5.909 -1.111 228 HD21 LEU 28 HD21 LEU 28 2.240 -7.738 -2.336 229 HD22 LEU 28 HD22 LEU 28 3.784 -8.533 -2.667 230 HD23 LEU 28 HD23 LEU 28 2.696 -8.128 -3.999 231 H ASP 29 HN ASP 29 1.641 -3.436 -5.289 232 HA ASP 29 HA ASP 29 3.427 -3.668 -7.470 233 HB2 ASP 29 HB2 ASP 29 0.908 -3.888 -7.548 234 HB3 ASP 29 HB1 ASP 29 0.826 -2.142 -7.403 235 H GLN 30 HN GLN 30 2.058 -0.939 -5.717 236 HA GLN 30 HA GLN 30 3.260 1.126 -7.144 237 HB2 GLN 30 HB2 GLN 30 2.621 0.992 -4.219 238 HB3 GLN 30 HB1 GLN 30 2.833 2.455 -5.164 239 HG2 GLN 30 HG2 GLN 30 0.621 0.432 -5.446 240 HG3 GLN 30 HG1 GLN 30 0.510 2.074 -4.827 241 HE21 GLN 30 HE21 GLN 30 0.870 0.099 -7.649 242 HE22 GLN 30 HE22 GLN 30 0.544 1.341 -8.814 243 H ALA 31 HN ALA 31 4.303 -0.597 -4.259 244 HA ALA 31 HA ALA 31 6.709 0.797 -3.801 245 HB1 ALA 31 HB1 ALA 31 6.048 -2.085 -3.184 246 HB2 ALA 31 HB2 ALA 31 5.589 -0.704 -2.181 247 HB3 ALA 31 HB3 ALA 31 7.295 -1.102 -2.407 248 H ALA 32 HN ALA 32 5.775 -1.737 -5.900 249 HA ALA 32 HA ALA 32 8.354 -2.635 -6.648 250 HB1 ALA 32 HB1 ALA 32 6.706 -4.177 -7.106 251 HB2 ALA 32 HB2 ALA 32 6.849 -3.414 -8.693 252 HB3 ALA 32 HB3 ALA 32 5.532 -2.947 -7.603 253 H SER 33 HN SER 33 5.993 -0.364 -7.959 254 HA SER 33 HA SER 33 7.397 0.359 -10.280 255 HB2 SER 33 HB2 SER 33 5.422 1.868 -8.562 256 HB3 SER 33 HB1 SER 33 5.943 2.402 -10.167 257 HG SER 33 HG SER 33 5.056 -0.214 -10.019 258 H VAL 34 HN VAL 34 7.511 1.509 -6.972 259 HA VAL 34 HA VAL 34 9.191 3.729 -7.313 260 HB VAL 34 HB VAL 34 9.174 1.908 -4.922 261 HG11 VAL 34 HG11 VAL 34 10.846 3.607 -4.779 262 HG12 VAL 34 HG12 VAL 34 9.519 4.070 -3.710 263 HG13 VAL 34 HG13 VAL 34 9.702 4.850 -5.280 264 HG21 VAL 34 HG21 VAL 34 7.335 3.234 -4.054 265 HG22 VAL 34 HG22 VAL 34 6.907 2.333 -5.503 266 HG23 VAL 34 HG23 VAL 34 7.215 4.069 -5.600 267 H LEU 35 HN LEU 35 9.812 0.465 -6.186 268 HA LEU 35 HA LEU 35 12.548 0.839 -5.793 269 HB2 LEU 35 HB2 LEU 35 10.540 -1.217 -5.577 270 HB3 LEU 35 HB1 LEU 35 12.133 -1.861 -5.941 271 HG LEU 35 HG LEU 35 12.930 -1.364 -3.855 272 HD11 LEU 35 HD11 LEU 35 12.743 1.051 -3.962 273 HD12 LEU 35 HD12 LEU 35 12.071 0.488 -2.431 274 HD13 LEU 35 HD13 LEU 35 10.993 0.954 -3.754 275 HD21 LEU 35 HD21 LEU 35 10.934 -1.479 -2.243 276 HD22 LEU 35 HD22 LEU 35 11.203 -2.812 -3.365 277 HD23 LEU 35 HD23 LEU 35 9.964 -1.602 -3.719 278 H GLY 36 HN GLY 36 10.776 -0.325 -8.593 279 HA2 GLY 36 HA2 GLY 36 12.167 0.030 -10.682 280 HA3 GLY 36 HA1 GLY 36 13.370 -0.924 -9.834 281 H TYR 37 HN TYR 37 10.114 -1.796 -9.409 282 HA TYR 37 HA TYR 37 10.717 -4.314 -10.794 283 HB2 TYR 37 HB2 TYR 37 8.639 -3.801 -8.673 284 HB3 TYR 37 HB1 TYR 37 9.240 -5.356 -9.218 285 HD1 TYR 37 HD1 TYR 37 9.124 -4.357 -6.326 286 HD2 TYR 37 HD2 TYR 37 12.171 -4.281 -9.277 287 HE1 TYR 37 HE1 TYR 37 10.818 -4.317 -4.555 288 HE2 TYR 37 HE2 TYR 37 13.871 -4.222 -7.534 289 HH TYR 37 HH TYR 37 14.103 -3.593 -5.182 290 H ALA 38 HN ALA 38 8.793 -5.489 -11.650 291 HA ALA 38 HA ALA 38 6.732 -3.672 -12.704 292 HB1 ALA 38 HB1 ALA 38 6.951 -4.646 -14.917 293 HB2 ALA 38 HB2 ALA 38 8.251 -5.693 -14.344 294 HB3 ALA 38 HB3 ALA 38 8.486 -3.945 -14.401 295 H SER 39 HN SER 39 7.394 -6.400 -11.001 296 HA SER 39 HA SER 39 4.709 -7.427 -11.367 297 HB2 SER 39 HB2 SER 39 5.921 -8.662 -13.080 298 HB3 SER 39 HB1 SER 39 7.167 -9.113 -11.920 299 HG SER 39 HG SER 39 5.394 -10.178 -10.741 300 H THR 40 HN THR 40 6.303 -6.110 -9.288 301 HA THR 40 HA THR 40 7.013 -6.253 -7.129 302 HB THR 40 HB THR 40 5.490 -7.510 -5.600 303 HG1 THR 40 HG1 THR 40 4.877 -8.835 -7.842 304 HG21 THR 40 HG21 THR 40 4.275 -5.725 -7.697 305 HG22 THR 40 HG22 THR 40 4.949 -5.244 -6.136 306 HG23 THR 40 HG23 THR 40 3.455 -6.184 -6.206 307 H GLU 41 HN GLU 41 8.490 -7.805 -8.818 308 HA GLU 41 HA GLU 41 8.666 -10.526 -8.104 309 HB2 GLU 41 HB2 GLU 41 10.833 -10.409 -9.419 310 HB3 GLU 41 HB1 GLU 41 9.371 -9.927 -10.262 311 HG2 GLU 41 HG2 GLU 41 10.964 -7.802 -8.956 312 HG3 GLU 41 HG1 GLU 41 11.594 -8.533 -10.431 313 H SER 42 HN SER 42 10.384 -7.686 -6.939 314 HA SER 42 HA SER 42 11.952 -9.461 -5.198 315 HB2 SER 42 HB2 SER 42 13.287 -8.183 -6.862 316 HB3 SER 42 HB1 SER 42 12.698 -6.685 -6.148 317 HG SER 42 HG SER 42 13.778 -8.408 -4.312 318 H LEU 43 HN LEU 43 9.335 -8.617 -4.564 319 HA LEU 43 HA LEU 43 9.879 -6.866 -2.277 320 HB2 LEU 43 HB2 LEU 43 7.380 -7.402 -3.836 321 HB3 LEU 43 HB1 LEU 43 7.391 -6.523 -2.315 322 HG LEU 43 HG LEU 43 8.980 -5.692 -4.730 323 HD11 LEU 43 HD11 LEU 43 7.268 -4.007 -5.059 324 HD12 LEU 43 HD12 LEU 43 6.319 -4.719 -3.750 325 HD13 LEU 43 HD13 LEU 43 6.623 -5.641 -5.222 326 HD21 LEU 43 HD21 LEU 43 8.259 -4.324 -2.150 327 HD22 LEU 43 HD22 LEU 43 9.078 -3.556 -3.509 328 HD23 LEU 43 HD23 LEU 43 9.859 -4.879 -2.640 329 H ASP 44 HN ASP 44 8.523 -7.201 -0.408 330 HA ASP 44 HA ASP 44 7.617 -9.948 0.065 331 HB2 ASP 44 HB2 ASP 44 10.058 -9.237 1.007 332 HB3 ASP 44 HB1 ASP 44 9.051 -8.578 2.284 333 H THR 45 HN THR 45 5.713 -9.946 1.226 334 HA THR 45 HA THR 45 4.718 -7.328 2.051 335 HB THR 45 HB THR 45 2.575 -8.697 2.471 336 HG1 THR 45 HG1 THR 45 3.874 -10.491 0.674 337 HG21 THR 45 HG21 THR 45 2.016 -8.649 0.048 338 HG22 THR 45 HG22 THR 45 3.705 -8.260 -0.281 339 HG23 THR 45 HG23 THR 45 2.710 -7.155 0.666 340 H HIS 46 HN HIS 46 6.316 -9.926 3.353 341 HA HIS 46 HA HIS 46 5.107 -9.582 6.006 342 HB2 HIS 46 HB2 HIS 46 6.953 -11.718 4.922 343 HB3 HIS 46 HB1 HIS 46 6.428 -11.629 6.594 344 HD1 HIS 46 HD1 HIS 46 4.712 -13.339 7.003 345 HD2 HIS 46 HD2 HIS 46 4.338 -11.655 3.228 346 HE1 HIS 46 HE1 HIS 46 2.739 -14.485 5.949 347 HE2 HIS 46 HE2 HIS 46 2.676 -13.608 3.589 348 H GLU 47 HN GLU 47 7.476 -8.262 4.208 349 HA GLU 47 HA GLU 47 9.191 -7.789 6.543 350 HB2 GLU 47 HB2 GLU 47 11.035 -8.315 5.399 351 HB3 GLU 47 HB1 GLU 47 9.964 -9.066 4.234 352 HG2 GLU 47 HG2 GLU 47 9.955 -6.947 2.941 353 HG3 GLU 47 HG1 GLU 47 11.132 -6.295 4.092 354 H SER 48 HN SER 48 10.179 -5.666 6.598 355 HA SER 48 HA SER 48 8.060 -3.793 5.987 356 HB2 SER 48 HB2 SER 48 10.592 -3.193 7.505 357 HB3 SER 48 HB1 SER 48 9.019 -2.409 7.629 358 HG SER 48 HG SER 48 8.876 -5.080 8.135 359 H PHE 49 HN PHE 49 8.297 -1.875 4.927 360 HA PHE 49 HA PHE 49 9.654 -1.841 2.528 361 HB2 PHE 49 HB2 PHE 49 8.682 0.516 4.131 362 HB3 PHE 49 HB1 PHE 49 9.148 0.578 2.437 363 HD1 PHE 49 HD1 PHE 49 7.730 -0.277 0.736 364 HD2 PHE 49 HD2 PHE 49 6.647 -0.633 4.828 365 HE1 PHE 49 HE1 PHE 49 5.463 -0.915 0.076 366 HE2 PHE 49 HE2 PHE 49 4.366 -1.274 4.171 367 HZ PHE 49 HZ PHE 49 3.726 -1.288 1.853 368 H LYS 50 HN LYS 50 10.697 -0.628 5.612 369 HA LYS 50 HA LYS 50 13.001 0.680 5.146 370 HB2 LYS 50 HB2 LYS 50 11.999 -0.172 7.327 371 HB3 LYS 50 HB1 LYS 50 12.840 -1.678 7.006 372 HG2 LYS 50 HG2 LYS 50 14.094 -0.329 8.542 373 HG3 LYS 50 HG1 LYS 50 14.969 -0.497 7.024 374 HD2 LYS 50 HD2 LYS 50 15.160 1.776 7.781 375 HD3 LYS 50 HD1 LYS 50 14.127 1.743 6.355 376 HE2 LYS 50 HE2 LYS 50 13.206 3.226 8.043 377 HE3 LYS 50 HE1 LYS 50 12.145 1.843 7.797 378 HZ1 LYS 50 HZ1 LYS 50 12.445 2.393 10.149 379 HZ2 LYS 50 HZ2 LYS 50 14.106 2.105 10.013 380 HZ3 LYS 50 HZ3 LYS 50 13.008 0.841 9.793 381 H ASP 51 HN ASP 51 12.659 -2.824 5.189 382 HA ASP 51 HA ASP 51 15.297 -3.359 4.294 383 HB2 ASP 51 HB2 ASP 51 13.755 -4.931 5.575 384 HB3 ASP 51 HB1 ASP 51 12.963 -5.237 4.036 385 H LEU 52 HN LEU 52 12.278 -2.760 2.706 386 HA LEU 52 HA LEU 52 12.946 -3.769 0.140 387 HB2 LEU 52 HB2 LEU 52 10.860 -1.904 1.195 388 HB3 LEU 52 HB1 LEU 52 11.049 -2.118 -0.519 389 HG LEU 52 HG LEU 52 10.540 -4.515 -0.292 390 HD11 LEU 52 HD11 LEU 52 10.207 -3.819 2.606 391 HD12 LEU 52 HD12 LEU 52 11.364 -4.954 1.908 392 HD13 LEU 52 HD13 LEU 52 9.635 -5.312 1.866 393 HD21 LEU 52 HD21 LEU 52 8.689 -3.027 -0.720 394 HD22 LEU 52 HD22 LEU 52 8.534 -2.688 1.003 395 HD23 LEU 52 HD23 LEU 52 8.190 -4.307 0.393 396 H GLY 53 HN GLY 53 13.765 -0.980 1.892 397 HA2 GLY 53 HA2 GLY 53 15.718 0.186 1.202 398 HA3 GLY 53 HA1 GLY 53 15.221 -0.014 -0.464 399 H PHE 54 HN PHE 54 12.618 0.850 1.555 400 HA PHE 54 HA PHE 54 12.494 3.405 0.315 401 HB2 PHE 54 HB2 PHE 54 10.758 2.092 2.410 402 HB3 PHE 54 HB1 PHE 54 10.446 3.689 1.737 403 HD1 PHE 54 HD1 PHE 54 9.661 3.971 -0.509 404 HD2 PHE 54 HD2 PHE 54 10.592 0.123 1.029 405 HE1 PHE 54 HE1 PHE 54 8.472 2.945 -2.389 406 HE2 PHE 54 HE2 PHE 54 9.420 -0.925 -0.839 407 HZ PHE 54 HZ PHE 54 8.483 0.536 -2.686 408 H ASP 55 HN ASP 55 12.174 5.416 1.465 409 HA ASP 55 HA ASP 55 13.383 5.842 4.027 410 HB2 ASP 55 HB2 ASP 55 15.348 5.443 2.405 411 HB3 ASP 55 HB1 ASP 55 14.874 6.959 1.642 412 H SER 56 HN SER 56 14.083 8.572 3.619 413 HA SER 56 HA SER 56 11.460 9.749 3.351 414 HB2 SER 56 HB2 SER 56 13.352 10.418 4.997 415 HB3 SER 56 HB1 SER 56 14.044 11.283 3.627 416 HG SER 56 HG SER 56 12.414 12.328 5.204 417 H LEU 57 HN LEU 57 12.241 8.524 1.044 418 HA LEU 57 HA LEU 57 12.308 10.655 -0.925 419 HB2 LEU 57 HB2 LEU 57 14.017 8.193 -1.046 420 HB3 LEU 57 HB1 LEU 57 14.000 9.498 -2.215 421 HG LEU 57 HG LEU 57 14.869 9.825 0.648 422 HD11 LEU 57 HD11 LEU 57 16.320 8.215 -0.453 423 HD12 LEU 57 HD12 LEU 57 17.167 9.740 -0.193 424 HD13 LEU 57 HD13 LEU 57 16.562 9.328 -1.798 425 HD21 LEU 57 HD21 LEU 57 14.180 11.874 -0.455 426 HD22 LEU 57 HD22 LEU 57 15.260 11.532 -1.808 427 HD23 LEU 57 HD23 LEU 57 15.928 11.866 -0.209 428 H THR 58 HN THR 58 12.631 7.139 -0.919 429 HA THR 58 HA THR 58 10.864 6.777 -3.103 430 HB THR 58 HB THR 58 11.090 4.300 -2.292 431 HG1 THR 58 HG1 THR 58 13.238 4.290 -1.072 432 HG21 THR 58 HG21 THR 58 13.522 5.857 -3.159 433 HG22 THR 58 HG22 THR 58 12.247 5.282 -4.232 434 HG23 THR 58 HG23 THR 58 13.259 4.128 -3.366 435 H ALA 59 HN ALA 59 10.542 6.347 0.387 436 HA ALA 59 HA ALA 59 8.020 5.187 0.440 437 HB1 ALA 59 HB1 ALA 59 9.092 7.219 2.407 438 HB2 ALA 59 HB2 ALA 59 9.510 5.509 2.420 439 HB3 ALA 59 HB3 ALA 59 7.843 6.009 2.709 440 H LEU 60 HN LEU 60 9.065 8.470 -0.021 441 HA LEU 60 HA LEU 60 6.588 9.745 0.345 442 HB2 LEU 60 HB2 LEU 60 9.100 10.513 -1.119 443 HB3 LEU 60 HB1 LEU 60 7.707 11.576 -1.039 444 HG LEU 60 HG LEU 60 9.440 12.158 0.629 445 HD11 LEU 60 HD11 LEU 60 6.895 11.119 1.836 446 HD12 LEU 60 HD12 LEU 60 7.100 12.689 1.061 447 HD13 LEU 60 HD13 LEU 60 7.974 12.314 2.548 448 HD21 LEU 60 HD21 LEU 60 9.761 10.722 2.583 449 HD22 LEU 60 HD22 LEU 60 10.320 9.941 1.102 450 HD23 LEU 60 HD23 LEU 60 8.776 9.473 1.820 451 H GLU 61 HN GLU 61 8.264 8.643 -2.601 452 HA GLU 61 HA GLU 61 6.055 9.389 -4.268 453 HB2 GLU 61 HB2 GLU 61 7.264 7.834 -5.949 454 HB3 GLU 61 HB1 GLU 61 8.054 9.333 -5.462 455 HG2 GLU 61 HG2 GLU 61 9.398 8.069 -3.847 456 HG3 GLU 61 HG1 GLU 61 8.625 6.584 -4.391 457 H LEU 62 HN LEU 62 6.991 6.466 -2.572 458 HA LEU 62 HA LEU 62 5.043 4.759 -3.735 459 HB2 LEU 62 HB2 LEU 62 6.798 3.811 -2.408 460 HB3 LEU 62 HB1 LEU 62 6.304 4.746 -1.011 461 HG LEU 62 HG LEU 62 4.184 3.516 -0.922 462 HD11 LEU 62 HD11 LEU 62 5.340 1.971 -3.222 463 HD12 LEU 62 HD12 LEU 62 3.915 3.009 -3.251 464 HD13 LEU 62 HD13 LEU 62 3.904 1.516 -2.308 465 HD21 LEU 62 HD21 LEU 62 6.207 2.773 0.287 466 HD22 LEU 62 HD22 LEU 62 6.543 1.666 -1.046 467 HD23 LEU 62 HD23 LEU 62 5.074 1.475 -0.087 468 H ARG 63 HN ARG 63 5.034 6.766 -0.834 469 HA ARG 63 HA ARG 63 2.449 6.220 0.069 470 HB2 ARG 63 HB2 ARG 63 3.859 7.421 1.520 471 HB3 ARG 63 HB1 ARG 63 4.343 8.549 0.264 472 HG2 ARG 63 HG2 ARG 63 1.733 9.130 0.371 473 HG3 ARG 63 HG1 ARG 63 1.990 8.598 2.036 474 HD2 ARG 63 HD2 ARG 63 2.328 11.029 1.734 475 HD3 ARG 63 HD1 ARG 63 3.765 10.197 2.323 476 HE ARG 63 HE ARG 63 4.413 10.220 -0.172 477 HH11 ARG 63 HH11 ARG 63 2.679 12.751 1.499 478 HH12 ARG 63 HH12 ARG 63 3.219 14.005 0.428 479 HH21 ARG 63 HH21 ARG 63 5.118 11.859 -1.597 480 HH22 ARG 63 HH22 ARG 63 4.592 13.493 -1.348 481 H ASP 64 HN ASP 64 3.794 8.595 -2.127 482 HA ASP 64 HA ASP 64 1.509 9.916 -2.945 483 HB2 ASP 64 HB2 ASP 64 3.878 10.516 -3.465 484 HB3 ASP 64 HB1 ASP 64 3.873 9.227 -4.658 485 H HIS 65 HN HIS 65 2.988 6.936 -4.117 486 HA HIS 65 HA HIS 65 1.261 6.443 -6.265 487 HB2 HIS 65 HB2 HIS 65 2.832 4.588 -4.517 488 HB3 HIS 65 HB1 HIS 65 1.932 4.048 -5.911 489 HD1 HIS 65 HD1 HIS 65 2.948 6.718 -7.604 490 HD2 HIS 65 HD2 HIS 65 5.176 3.826 -5.658 491 HE1 HIS 65 HE1 HIS 65 5.244 6.766 -8.671 492 HE2 HIS 65 HE2 HIS 65 6.521 4.931 -7.561 493 H LEU 66 HN LEU 66 1.040 5.520 -2.823 494 HA LEU 66 HA LEU 66 -1.172 3.786 -3.177 495 HB2 LEU 66 HB2 LEU 66 0.031 5.199 -0.846 496 HB3 LEU 66 HB1 LEU 66 -1.489 4.359 -0.657 497 HG LEU 66 HG LEU 66 -0.531 2.276 -0.806 498 HD11 LEU 66 HD11 LEU 66 1.771 3.479 -2.331 499 HD12 LEU 66 HD12 LEU 66 0.457 2.517 -3.006 500 HD13 LEU 66 HD13 LEU 66 1.605 1.779 -1.894 501 HD21 LEU 66 HD21 LEU 66 1.699 4.037 0.173 502 HD22 LEU 66 HD22 LEU 66 1.596 2.294 0.429 503 HD23 LEU 66 HD23 LEU 66 0.382 3.363 1.133 504 H GLN 67 HN GLN 67 -0.931 7.195 -2.367 505 HA GLN 67 HA GLN 67 -3.728 7.570 -1.887 506 HB2 GLN 67 HB2 GLN 67 -1.833 9.727 -2.759 507 HB3 GLN 67 HB1 GLN 67 -3.234 9.865 -1.705 508 HG2 GLN 67 HG2 GLN 67 -2.141 8.928 0.091 509 HG3 GLN 67 HG1 GLN 67 -0.950 8.147 -0.952 510 HE21 GLN 67 HE21 GLN 67 -0.319 10.399 -2.519 511 HE22 GLN 67 HE22 GLN 67 0.583 11.484 -1.538 512 H THR 68 HN THR 68 -1.597 7.843 -4.649 513 HA THR 68 HA THR 68 -3.486 8.889 -6.440 514 HB THR 68 HB THR 68 -0.832 7.567 -6.517 515 HG1 THR 68 HG1 THR 68 -0.337 9.595 -6.575 516 HG21 THR 68 HG21 THR 68 -0.742 7.674 -8.961 517 HG22 THR 68 HG22 THR 68 -2.449 8.120 -9.006 518 HG23 THR 68 HG23 THR 68 -1.964 6.534 -8.403 519 H ALA 69 HN ALA 69 -2.281 5.698 -5.747 520 HA ALA 69 HA ALA 69 -3.839 4.153 -7.409 521 HB1 ALA 69 HB1 ALA 69 -1.946 3.309 -6.186 522 HB2 ALA 69 HB2 ALA 69 -3.379 2.337 -5.837 523 HB3 ALA 69 HB3 ALA 69 -2.809 3.529 -4.665 524 H THR 70 HN THR 70 -4.520 5.100 -4.042 525 HA THR 70 HA THR 70 -7.089 3.709 -4.179 526 HB THR 70 HB THR 70 -7.222 4.097 -1.773 527 HG1 THR 70 HG1 THR 70 -4.692 5.362 -1.828 528 HG21 THR 70 HG21 THR 70 -5.263 2.869 -1.055 529 HG22 THR 70 HG22 THR 70 -4.417 3.301 -2.540 530 HG23 THR 70 HG23 THR 70 -5.820 2.229 -2.601 531 H GLY 71 HN GLY 71 -5.793 6.938 -3.872 532 HA2 GLY 71 HA2 GLY 71 -6.953 8.908 -4.475 533 HA3 GLY 71 HA1 GLY 71 -8.475 8.047 -4.270 534 H LEU 72 HN LEU 72 -6.605 7.214 -1.743 535 HA LEU 72 HA LEU 72 -8.263 8.853 0.013 536 HB2 LEU 72 HB2 LEU 72 -6.744 6.285 0.309 537 HB3 LEU 72 HB1 LEU 72 -7.283 7.163 1.724 538 HG LEU 72 HG LEU 72 -8.786 5.300 1.080 539 HD11 LEU 72 HD11 LEU 72 -10.094 7.996 0.820 540 HD12 LEU 72 HD12 LEU 72 -9.615 7.240 2.340 541 HD13 LEU 72 HD13 LEU 72 -10.855 6.488 1.336 542 HD21 LEU 72 HD21 LEU 72 -10.244 5.510 -0.856 543 HD22 LEU 72 HD22 LEU 72 -8.551 5.410 -1.341 544 HD23 LEU 72 HD23 LEU 72 -9.381 6.965 -1.357 545 H ASN 73 HN ASN 73 -6.750 8.758 2.339 546 HA ASN 73 HA ASN 73 -4.667 10.704 1.602 547 HB2 ASN 73 HB2 ASN 73 -6.694 11.760 2.523 548 HB3 ASN 73 HB1 ASN 73 -6.532 10.786 3.979 549 HD21 ASN 73 HD21 ASN 73 -6.333 12.562 5.316 550 HD22 ASN 73 HD22 ASN 73 -4.913 13.552 5.341 551 H LEU 74 HN LEU 74 -2.921 9.331 1.817 552 HA LEU 74 HA LEU 74 -2.538 8.007 4.377 553 HB2 LEU 74 HB2 LEU 74 -0.979 7.865 1.797 554 HB3 LEU 74 HB1 LEU 74 -0.583 6.962 3.257 555 HG LEU 74 HG LEU 74 -3.065 6.104 3.005 556 HD11 LEU 74 HD11 LEU 74 -3.586 7.566 1.078 557 HD12 LEU 74 HD12 LEU 74 -3.795 5.854 0.716 558 HD13 LEU 74 HD13 LEU 74 -2.363 6.713 0.134 559 HD21 LEU 74 HD21 LEU 74 -1.227 4.624 3.024 560 HD22 LEU 74 HD22 LEU 74 -0.685 5.173 1.437 561 HD23 LEU 74 HD23 LEU 74 -2.178 4.250 1.587 562 H SER 75 HN SER 75 0.453 8.170 4.301 563 HA SER 75 HA SER 75 0.735 10.996 5.006 564 HB2 SER 75 HB2 SER 75 -0.211 9.758 6.991 565 HB3 SER 75 HB1 SER 75 1.295 8.847 7.052 566 HG SER 75 HG SER 75 2.136 10.467 8.071 567 H SER 76 HN SER 76 3.046 11.383 5.968 568 HA SER 76 HA SER 76 4.799 10.788 3.846 569 HB2 SER 76 HB2 SER 76 4.849 12.828 5.346 570 HB3 SER 76 HB1 SER 76 5.618 11.815 6.566 571 HG SER 76 HG SER 76 7.372 11.544 5.235 572 H THR 77 HN THR 77 4.680 9.547 7.171 573 HA THR 77 HA THR 77 6.847 7.675 6.518 574 HB THR 77 HB THR 77 6.906 7.266 9.003 575 HG1 THR 77 HG1 THR 77 5.863 8.922 10.281 576 HG21 THR 77 HG21 THR 77 7.368 10.079 8.026 577 HG22 THR 77 HG22 THR 77 8.511 8.739 7.949 578 HG23 THR 77 HG23 THR 77 8.034 9.405 9.512 579 H LEU 78 HN LEU 78 4.232 7.476 5.557 580 HA LEU 78 HA LEU 78 2.365 5.933 6.792 581 HB2 LEU 78 HB2 LEU 78 2.190 7.022 4.609 582 HB3 LEU 78 HB1 LEU 78 3.307 5.868 3.945 583 HG LEU 78 HG LEU 78 0.703 5.705 3.573 584 HD11 LEU 78 HD11 LEU 78 1.002 3.265 3.222 585 HD12 LEU 78 HD12 LEU 78 2.609 3.425 3.931 586 HD13 LEU 78 HD13 LEU 78 2.205 4.296 2.441 587 HD21 LEU 78 HD21 LEU 78 -0.229 5.420 5.605 588 HD22 LEU 78 HD22 LEU 78 1.166 4.567 6.265 589 HD23 LEU 78 HD23 LEU 78 0.048 3.731 5.182 590 H ILE 79 HN ILE 79 4.913 4.643 4.682 591 HA ILE 79 HA ILE 79 4.372 1.925 5.446 592 HB ILE 79 HB ILE 79 6.179 1.359 3.947 593 HG12 ILE 79 HG12 ILE 79 6.776 4.305 4.037 594 HG13 ILE 79 HG11 ILE 79 7.855 2.967 4.425 595 HG21 ILE 79 HG21 ILE 79 5.404 2.464 1.907 596 HG22 ILE 79 HG22 ILE 79 4.493 3.617 2.889 597 HG23 ILE 79 HG23 ILE 79 4.068 1.901 2.911 598 HD11 ILE 79 HD11 ILE 79 6.853 3.842 1.747 599 HD12 ILE 79 HD12 ILE 79 7.650 2.286 2.013 600 HD13 ILE 79 HD13 ILE 79 8.518 3.787 2.330 601 H PHE 80 HN PHE 80 5.804 4.181 7.220 602 HA PHE 80 HA PHE 80 7.630 2.228 8.439 603 HB2 PHE 80 HB2 PHE 80 7.787 5.250 8.493 604 HB3 PHE 80 HB1 PHE 80 8.877 4.164 9.352 605 HD1 PHE 80 HD1 PHE 80 9.031 6.287 6.849 606 HD2 PHE 80 HD2 PHE 80 9.415 2.084 7.401 607 HE1 PHE 80 HE1 PHE 80 10.495 6.176 4.877 608 HE2 PHE 80 HE2 PHE 80 10.870 1.956 5.425 609 HZ PHE 80 HZ PHE 80 11.312 3.954 4.089 610 H ASP 81 HN ASP 81 4.825 3.988 8.621 611 HA ASP 81 HA ASP 81 4.449 3.779 11.477 612 HB2 ASP 81 HB2 ASP 81 3.313 5.367 9.561 613 HB3 ASP 81 HB1 ASP 81 2.130 4.081 9.704 614 H HIS 82 HN HIS 82 3.565 2.310 8.486 615 HA HIS 82 HA HIS 82 2.611 -0.097 9.850 616 HB2 HIS 82 HB2 HIS 82 1.801 0.865 7.100 617 HB3 HIS 82 HB1 HIS 82 1.072 -0.431 8.035 618 HD1 HIS 82 HD1 HIS 82 -0.389 0.293 10.116 619 HD2 HIS 82 HD2 HIS 82 0.909 3.408 7.676 620 HE1 HIS 82 HE1 HIS 82 -1.707 2.306 10.833 621 HE2 HIS 82 HE2 HIS 82 -0.729 4.215 9.518 622 HA PRO 83 HA PRO 83 6.622 -0.989 8.452 623 HB2 PRO 83 HB2 PRO 83 6.643 -3.678 9.040 624 HB3 PRO 83 HB1 PRO 83 6.869 -2.393 10.231 625 HG2 PRO 83 HG2 PRO 83 4.378 -3.920 9.540 626 HG3 PRO 83 HG1 PRO 83 5.012 -3.468 11.139 627 HD2 PRO 83 HD2 PRO 83 3.028 -2.079 9.997 628 HD3 PRO 83 HD1 PRO 83 4.290 -1.268 10.933 629 H THR 84 HN THR 84 4.058 -3.180 7.329 630 HA THR 84 HA THR 84 5.756 -3.792 5.025 631 HB THR 84 HB THR 84 4.748 -6.013 4.988 632 HG1 THR 84 HG1 THR 84 3.668 -6.238 7.368 633 HG21 THR 84 HG21 THR 84 5.809 -6.918 7.006 634 HG22 THR 84 HG22 THR 84 5.870 -5.297 7.701 635 HG23 THR 84 HG23 THR 84 6.821 -5.674 6.266 636 HA PRO 85 HA PRO 85 2.450 -2.626 2.303 637 HB2 PRO 85 HB2 PRO 85 2.789 -5.254 0.983 638 HB3 PRO 85 HB1 PRO 85 2.903 -3.637 0.287 639 HG2 PRO 85 HG2 PRO 85 5.076 -5.161 0.711 640 HG3 PRO 85 HG1 PRO 85 5.113 -3.396 0.866 641 HD2 PRO 85 HD2 PRO 85 5.089 -5.478 2.984 642 HD3 PRO 85 HD1 PRO 85 5.858 -3.885 2.976 643 H HIS 86 HN HIS 86 2.604 -5.484 4.077 644 HA HIS 86 HA HIS 86 -0.113 -6.345 3.703 645 HB2 HIS 86 HB2 HIS 86 1.220 -8.084 4.403 646 HB3 HIS 86 HB1 HIS 86 2.207 -7.064 5.421 647 HD1 HIS 86 HD1 HIS 86 -0.509 -9.495 5.549 648 HD2 HIS 86 HD2 HIS 86 0.918 -6.409 7.953 649 HE1 HIS 86 HE1 HIS 86 -1.409 -9.961 7.849 650 HE2 HIS 86 HE2 HIS 86 -0.440 -8.156 9.314 651 H ALA 87 HN ALA 87 1.721 -4.564 6.116 652 HA ALA 87 HA ALA 87 -0.492 -4.069 7.858 653 HB1 ALA 87 HB1 ALA 87 2.181 -2.678 7.712 654 HB2 ALA 87 HB2 ALA 87 1.854 -4.148 8.637 655 HB3 ALA 87 HB3 ALA 87 1.052 -2.638 9.068 656 H VAL 88 HN VAL 88 0.790 -2.681 5.076 657 HA VAL 88 HA VAL 88 -0.375 -0.060 5.497 658 HB VAL 88 HB VAL 88 1.126 -1.293 3.208 659 HG11 VAL 88 HG11 VAL 88 0.016 1.486 3.459 660 HG12 VAL 88 HG12 VAL 88 -0.442 0.254 2.282 661 HG13 VAL 88 HG13 VAL 88 1.169 0.972 2.227 662 HG21 VAL 88 HG21 VAL 88 2.504 -0.805 5.132 663 HG22 VAL 88 HG22 VAL 88 1.885 0.850 5.184 664 HG23 VAL 88 HG23 VAL 88 2.874 0.320 3.824 665 H ALA 89 HN ALA 89 -0.835 -2.862 3.401 666 HA ALA 89 HA ALA 89 -2.978 -1.806 1.946 667 HB1 ALA 89 HB1 ALA 89 -3.553 -4.129 1.407 668 HB2 ALA 89 HB2 ALA 89 -2.384 -4.682 2.612 669 HB3 ALA 89 HB3 ALA 89 -1.839 -3.782 1.195 670 H GLU 90 HN GLU 90 -2.935 -3.567 5.084 671 HA GLU 90 HA GLU 90 -5.802 -3.546 5.235 672 HB2 GLU 90 HB2 GLU 90 -5.411 -4.134 7.643 673 HB3 GLU 90 HB1 GLU 90 -4.671 -5.227 6.484 674 HG2 GLU 90 HG2 GLU 90 -2.524 -4.236 6.838 675 HG3 GLU 90 HG1 GLU 90 -3.216 -3.013 7.898 676 H HIS 91 HN HIS 91 -3.232 -1.394 6.074 677 HA HIS 91 HA HIS 91 -4.707 0.444 7.593 678 HB2 HIS 91 HB2 HIS 91 -2.362 0.659 7.697 679 HB3 HIS 91 HB1 HIS 91 -2.203 0.679 5.939 680 HD1 HIS 91 HD1 HIS 91 -3.565 2.874 8.744 681 HD2 HIS 91 HD2 HIS 91 -2.156 3.120 4.843 682 HE1 HIS 91 HE1 HIS 91 -3.481 5.332 8.215 683 HE2 HIS 91 HE2 HIS 91 -2.447 5.473 5.926 684 H LEU 92 HN LEU 92 -4.551 -0.219 4.205 685 HA LEU 92 HA LEU 92 -5.673 2.268 3.396 686 HB2 LEU 92 HB2 LEU 92 -4.954 -0.288 2.080 687 HB3 LEU 92 HB1 LEU 92 -6.202 0.680 1.303 688 HG LEU 92 HG LEU 92 -4.746 2.470 0.901 689 HD11 LEU 92 HD11 LEU 92 -3.001 1.248 3.014 690 HD12 LEU 92 HD12 LEU 92 -3.695 2.871 2.957 691 HD13 LEU 92 HD13 LEU 92 -2.384 2.431 1.864 692 HD21 LEU 92 HD21 LEU 92 -3.107 -0.033 0.646 693 HD22 LEU 92 HD22 LEU 92 -2.795 1.491 -0.188 694 HD23 LEU 92 HD23 LEU 92 -4.267 0.581 -0.532 695 H LEU 93 HN LEU 93 -6.920 -0.474 4.870 696 HA LEU 93 HA LEU 93 -9.620 -0.309 3.875 697 HB2 LEU 93 HB2 LEU 93 -8.448 -1.636 6.298 698 HB3 LEU 93 HB1 LEU 93 -10.168 -1.632 5.965 699 HG LEU 93 HG LEU 93 -9.957 -3.118 4.190 700 HD11 LEU 93 HD11 LEU 93 -7.806 -3.710 3.136 701 HD12 LEU 93 HD12 LEU 93 -7.011 -2.473 4.120 702 HD13 LEU 93 HD13 LEU 93 -8.225 -2.007 2.925 703 HD21 LEU 93 HD21 LEU 93 -9.434 -4.065 6.423 704 HD22 LEU 93 HD22 LEU 93 -7.718 -3.899 6.039 705 HD23 LEU 93 HD23 LEU 93 -8.743 -4.970 5.078 706 H GLU 94 HN GLU 94 -7.723 0.952 6.434 707 HA GLU 94 HA GLU 94 -9.622 2.039 8.153 708 HB2 GLU 94 HB2 GLU 94 -6.845 2.844 7.342 709 HB3 GLU 94 HB1 GLU 94 -7.732 3.733 8.584 710 HG2 GLU 94 HG2 GLU 94 -6.971 0.820 8.651 711 HG3 GLU 94 HG1 GLU 94 -6.213 2.121 9.568 712 H GLN 95 HN GLN 95 -8.478 3.043 5.052 713 HA GLN 95 HA GLN 95 -9.484 5.725 5.168 714 HB2 GLN 95 HB2 GLN 95 -8.685 4.236 2.690 715 HB3 GLN 95 HB1 GLN 95 -8.445 5.932 3.083 716 HG2 GLN 95 HG2 GLN 95 -7.033 3.696 4.499 717 HG3 GLN 95 HG1 GLN 95 -6.382 4.518 3.088 718 HE21 GLN 95 HE21 GLN 95 -5.537 4.310 5.909 719 HE22 GLN 95 HE22 GLN 95 -5.313 5.942 6.436 720 H ILE 96 HN ILE 96 -10.646 2.623 4.320 721 HA ILE 96 HA ILE 96 -12.333 3.375 2.156 722 HB ILE 96 HB ILE 96 -12.132 0.818 3.729 723 HG12 ILE 96 HG12 ILE 96 -10.041 1.679 2.756 724 HG13 ILE 96 HG11 ILE 96 -10.539 0.150 2.068 725 HG21 ILE 96 HG21 ILE 96 -14.175 1.013 2.311 726 HG22 ILE 96 HG22 ILE 96 -13.091 -0.311 1.883 727 HG23 ILE 96 HG23 ILE 96 -13.104 1.163 0.917 728 HD11 ILE 96 HD11 ILE 96 -11.287 1.225 0.070 729 HD12 ILE 96 HD12 ILE 96 -9.661 1.810 0.431 730 HD13 ILE 96 HD13 ILE 96 -11.067 2.818 0.791 731 HA PRO 97 HA PRO 97 -15.921 4.597 4.298 732 HB2 PRO 97 HB2 PRO 97 -17.658 4.562 2.287 733 HB3 PRO 97 HB1 PRO 97 -16.253 5.638 2.263 734 HG2 PRO 97 HG2 PRO 97 -16.566 2.947 0.980 735 HG3 PRO 97 HG1 PRO 97 -16.004 4.453 0.247 736 HD2 PRO 97 HD2 PRO 97 -14.308 2.570 1.143 737 HD3 PRO 97 HD1 PRO 97 -13.935 4.288 1.222 738 H GLY 98 HN GLY 98 -16.165 2.717 5.733 739 HA2 GLY 98 HA2 GLY 98 -17.822 1.497 6.803 740 HA3 GLY 98 HA1 GLY 98 -18.833 1.690 5.384 741 H ILE 99 HN ILE 99 -17.833 0.437 3.423 742 HA ILE 99 HA ILE 99 -18.100 -2.285 3.702 743 HB ILE 99 HB ILE 99 -16.705 -2.457 1.626 744 HG12 ILE 99 HG12 ILE 99 -16.386 0.453 2.148 745 HG13 ILE 99 HG11 ILE 99 -15.133 -0.752 2.059 746 HG21 ILE 99 HG21 ILE 99 -18.253 -1.300 0.181 747 HG22 ILE 99 HG22 ILE 99 -18.814 -0.322 1.538 748 HG23 ILE 99 HG23 ILE 99 -19.119 -2.059 1.514 749 HD11 ILE 99 HD11 ILE 99 -15.437 -0.988 -0.287 750 HD12 ILE 99 HD12 ILE 99 -15.203 0.717 0.120 751 HD13 ILE 99 HD13 ILE 99 -16.821 0.110 -0.262 752 H GLY 100 HN GLY 100 -15.251 -0.320 4.105 753 HA2 GLY 100 HA2 GLY 100 -13.639 -2.708 4.630 754 HA3 GLY 100 HA1 GLY 100 -13.041 -1.212 3.902 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 -16.001 14.128 -5.683 2 H2 GLY 1 HT2 GLY 1 -15.615 15.533 -4.824 3 H3 GLY 1 HT3 GLY 1 -17.010 14.664 -4.438 4 HA2 GLY 1 HA1 GLY 1 -15.227 14.290 -2.827 5 HA3 GLY 1 HA2 GLY 1 -15.746 12.820 -3.641 6 H SER 2 HN SER 2 -13.207 13.319 -2.353 7 HA SER 2 HA SER 2 -11.269 13.684 -4.458 8 HB2 SER 2 HB2 SER 2 -10.910 12.830 -1.576 9 HB3 SER 2 HB1 SER 2 -9.608 13.257 -2.687 10 HG SER 2 HG SER 2 -10.415 15.349 -2.784 11 H THR 3 HN THR 3 -11.930 11.992 -5.852 12 HA THR 3 HA THR 3 -11.771 9.938 -6.796 13 HB THR 3 HB THR 3 -9.445 9.500 -4.919 14 HG1 THR 3 HG1 THR 3 -9.773 11.555 -6.505 15 HG21 THR 3 HG21 THR 3 -10.008 7.574 -6.296 16 HG22 THR 3 HG22 THR 3 -8.499 8.294 -6.860 17 HG23 THR 3 HG23 THR 3 -9.997 8.580 -7.745 18 H ALA 4 HN ALA 4 -10.299 8.133 -4.381 19 HA ALA 4 HA ALA 4 -10.903 6.464 -3.017 20 HB1 ALA 4 HB1 ALA 4 -12.126 8.191 -1.774 21 HB2 ALA 4 HB2 ALA 4 -12.933 6.624 -1.700 22 HB3 ALA 4 HB3 ALA 4 -13.551 7.886 -2.767 23 H THR 5 HN THR 5 -13.899 7.157 -4.855 24 HA THR 5 HA THR 5 -14.934 4.653 -5.103 25 HB THR 5 HB THR 5 -14.880 6.611 -7.394 26 HG1 THR 5 HG1 THR 5 -16.398 7.770 -6.328 27 HG21 THR 5 HG21 THR 5 -16.957 4.615 -6.483 28 HG22 THR 5 HG22 THR 5 -15.916 4.451 -7.897 29 HG23 THR 5 HG23 THR 5 -17.128 5.731 -7.837 30 H LEU 6 HN LEU 6 -12.238 5.932 -6.845 31 HA LEU 6 HA LEU 6 -11.827 4.118 -8.853 32 HB2 LEU 6 HB2 LEU 6 -10.368 5.960 -8.678 33 HB3 LEU 6 HB1 LEU 6 -9.969 5.580 -7.015 34 HG LEU 6 HG LEU 6 -8.651 3.657 -7.744 35 HD11 LEU 6 HD11 LEU 6 -9.910 3.091 -9.765 36 HD12 LEU 6 HD12 LEU 6 -8.192 3.286 -10.112 37 HD13 LEU 6 HD13 LEU 6 -9.330 4.564 -10.543 38 HD21 LEU 6 HD21 LEU 6 -7.933 6.179 -9.233 39 HD22 LEU 6 HD22 LEU 6 -6.827 4.895 -8.743 40 HD23 LEU 6 HD23 LEU 6 -7.630 5.884 -7.522 41 H LEU 7 HN LEU 7 -10.422 3.873 -5.591 42 HA LEU 7 HA LEU 7 -9.884 1.055 -6.023 43 HB2 LEU 7 HB2 LEU 7 -8.704 3.103 -4.526 44 HB3 LEU 7 HB1 LEU 7 -9.390 1.996 -3.348 45 HG LEU 7 HG LEU 7 -7.010 1.507 -3.925 46 HD11 LEU 7 HD11 LEU 7 -8.578 -0.138 -2.984 47 HD12 LEU 7 HD12 LEU 7 -7.357 -0.882 -4.021 48 HD13 LEU 7 HD13 LEU 7 -9.005 -0.645 -4.619 49 HD21 LEU 7 HD21 LEU 7 -6.440 0.563 -6.028 50 HD22 LEU 7 HD22 LEU 7 -7.315 2.058 -6.377 51 HD23 LEU 7 HD23 LEU 7 -8.126 0.500 -6.533 52 H THR 8 HN THR 8 -12.024 3.100 -4.249 53 HA THR 8 HA THR 8 -12.935 1.330 -2.294 54 HB THR 8 HB THR 8 -14.199 3.679 -3.642 55 HG1 THR 8 HG1 THR 8 -12.359 3.859 -2.151 56 HG21 THR 8 HG21 THR 8 -15.295 2.177 -1.267 57 HG22 THR 8 HG22 THR 8 -16.028 2.236 -2.868 58 HG23 THR 8 HG23 THR 8 -15.916 3.702 -1.893 59 H SER 9 HN SER 9 -13.864 1.667 -5.664 60 HA SER 9 HA SER 9 -16.134 -0.039 -5.551 61 HB2 SER 9 HB2 SER 9 -14.349 0.931 -7.773 62 HB3 SER 9 HB1 SER 9 -15.658 -0.220 -8.082 63 HG SER 9 HG SER 9 -16.854 1.559 -6.735 64 H LYS 10 HN LYS 10 -12.709 -0.562 -5.784 65 HA LYS 10 HA LYS 10 -12.686 -3.287 -6.526 66 HB2 LYS 10 HB2 LYS 10 -10.747 -1.516 -6.278 67 HB3 LYS 10 HB1 LYS 10 -10.722 -2.047 -4.606 68 HG2 LYS 10 HG2 LYS 10 -9.935 -3.552 -7.068 69 HG3 LYS 10 HG1 LYS 10 -9.039 -3.264 -5.586 70 HD2 LYS 10 HD2 LYS 10 -9.608 -5.328 -5.078 71 HD3 LYS 10 HD1 LYS 10 -11.188 -4.644 -4.701 72 HE2 LYS 10 HE2 LYS 10 -11.375 -6.620 -6.142 73 HE3 LYS 10 HE1 LYS 10 -11.978 -5.166 -6.932 74 HZ1 LYS 10 HZ1 LYS 10 -10.631 -6.503 -8.426 75 HZ2 LYS 10 HZ2 LYS 10 -9.308 -6.393 -7.382 76 HZ3 LYS 10 HZ3 LYS 10 -9.897 -5.009 -8.150 77 H LEU 11 HN LEU 11 -12.315 -1.738 -3.356 78 HA LEU 11 HA LEU 11 -12.381 -4.083 -1.835 79 HB2 LEU 11 HB2 LEU 11 -13.197 -1.325 -0.950 80 HB3 LEU 11 HB1 LEU 11 -12.839 -2.665 0.109 81 HG LEU 11 HG LEU 11 -10.853 -1.566 0.225 82 HD11 LEU 11 HD11 LEU 11 -10.461 -3.122 -2.322 83 HD12 LEU 11 HD12 LEU 11 -10.475 -3.820 -0.698 84 HD13 LEU 11 HD13 LEU 11 -9.213 -2.668 -1.153 85 HD21 LEU 11 HD21 LEU 11 -11.672 0.181 -1.423 86 HD22 LEU 11 HD22 LEU 11 -10.926 -0.807 -2.683 87 HD23 LEU 11 HD23 LEU 11 -9.935 -0.125 -1.391 88 H ALA 12 HN ALA 12 -14.971 -2.154 -3.090 89 HA ALA 12 HA ALA 12 -17.097 -3.051 -1.527 90 HB1 ALA 12 HB1 ALA 12 -18.519 -2.454 -3.414 91 HB2 ALA 12 HB2 ALA 12 -17.112 -2.419 -4.479 92 HB3 ALA 12 HB3 ALA 12 -17.264 -1.237 -3.177 93 H GLY 13 HN GLY 13 -15.285 -4.631 -4.029 94 HA2 GLY 13 HA2 GLY 13 -17.196 -6.789 -4.339 95 HA3 GLY 13 HA1 GLY 13 -15.637 -6.636 -5.140 96 H LEU 14 HN LEU 14 -14.738 -6.064 -2.132 97 HA LEU 14 HA LEU 14 -14.129 -8.885 -1.635 98 HB2 LEU 14 HB2 LEU 14 -12.740 -6.374 -0.830 99 HB3 LEU 14 HB1 LEU 14 -12.315 -7.920 -0.193 100 HG LEU 14 HG LEU 14 -10.782 -7.874 -1.807 101 HD11 LEU 14 HD11 LEU 14 -12.289 -9.683 -2.453 102 HD12 LEU 14 HD12 LEU 14 -11.471 -8.970 -3.847 103 HD13 LEU 14 HD13 LEU 14 -13.159 -8.570 -3.513 104 HD21 LEU 14 HD21 LEU 14 -12.612 -6.039 -3.309 105 HD22 LEU 14 HD22 LEU 14 -10.998 -6.513 -3.835 106 HD23 LEU 14 HD23 LEU 14 -11.206 -5.595 -2.342 107 H THR 15 HN THR 15 -13.647 -9.394 0.585 108 HA THR 15 HA THR 15 -15.328 -8.032 2.558 109 HB THR 15 HB THR 15 -14.922 -9.976 3.954 110 HG1 THR 15 HG1 THR 15 -13.560 -11.699 2.728 111 HG21 THR 15 HG21 THR 15 -15.397 -10.807 1.087 112 HG22 THR 15 HG22 THR 15 -16.630 -10.269 2.233 113 HG23 THR 15 HG23 THR 15 -15.776 -11.790 2.506 114 H ALA 16 HN ALA 16 -14.055 -7.703 4.730 115 HA ALA 16 HA ALA 16 -12.058 -5.855 4.332 116 HB1 ALA 16 HB1 ALA 16 -13.235 -6.146 6.461 117 HB2 ALA 16 HB2 ALA 16 -11.486 -6.123 6.694 118 HB3 ALA 16 HB3 ALA 16 -12.364 -7.653 6.741 119 H THR 17 HN THR 17 -11.661 -9.338 4.832 120 HA THR 17 HA THR 17 -8.852 -9.348 4.990 121 HB THR 17 HB THR 17 -10.688 -11.570 4.083 122 HG1 THR 17 HG1 THR 17 -11.281 -11.029 6.147 123 HG21 THR 17 HG21 THR 17 -8.865 -13.045 4.798 124 HG22 THR 17 HG22 THR 17 -7.873 -11.634 5.164 125 HG23 THR 17 HG23 THR 17 -8.355 -11.965 3.500 126 H GLU 18 HN GLU 18 -11.046 -9.833 2.210 127 HA GLU 18 HA GLU 18 -8.929 -10.302 0.398 128 HB2 GLU 18 HB2 GLU 18 -11.805 -9.563 -0.031 129 HB3 GLU 18 HB1 GLU 18 -10.698 -10.052 -1.293 130 HG2 GLU 18 HG2 GLU 18 -10.441 -12.219 -0.169 131 HG3 GLU 18 HG1 GLU 18 -11.627 -11.700 1.026 132 H GLN 19 HN GLN 19 -10.651 -7.504 1.543 133 HA GLN 19 HA GLN 19 -9.697 -5.622 -0.314 134 HB2 GLN 19 HB2 GLN 19 -10.350 -5.295 2.617 135 HB3 GLN 19 HB1 GLN 19 -10.176 -3.981 1.472 136 HG2 GLN 19 HG2 GLN 19 -12.047 -4.764 0.220 137 HG3 GLN 19 HG1 GLN 19 -12.186 -6.179 1.234 138 HE21 GLN 19 HE21 GLN 19 -14.207 -4.321 0.689 139 HE22 GLN 19 HE22 GLN 19 -14.654 -3.576 2.187 140 H ARG 20 HN ARG 20 -8.370 -6.881 2.710 141 HA ARG 20 HA ARG 20 -5.945 -5.462 2.756 142 HB2 ARG 20 HB2 ARG 20 -6.001 -8.402 3.389 143 HB3 ARG 20 HB1 ARG 20 -5.094 -7.124 4.183 144 HG2 ARG 20 HG2 ARG 20 -7.147 -6.277 5.155 145 HG3 ARG 20 HG1 ARG 20 -8.067 -7.555 4.352 146 HD2 ARG 20 HD2 ARG 20 -7.688 -8.198 6.628 147 HD3 ARG 20 HD1 ARG 20 -6.695 -9.210 5.589 148 HE ARG 20 HE ARG 20 -5.112 -7.079 6.405 149 HH11 ARG 20 HH11 ARG 20 -6.781 -9.787 7.844 150 HH12 ARG 20 HH12 ARG 20 -5.681 -9.930 9.175 151 HH21 ARG 20 HH21 ARG 20 -3.649 -7.250 8.192 152 HH22 ARG 20 HH22 ARG 20 -3.910 -8.505 9.368 153 H ALA 21 HN ALA 21 -6.894 -8.425 1.151 154 HA ALA 21 HA ALA 21 -4.385 -9.187 0.170 155 HB1 ALA 21 HB1 ALA 21 -5.604 -10.721 -1.269 156 HB2 ALA 21 HB2 ALA 21 -7.103 -9.849 -0.942 157 HB3 ALA 21 HB3 ALA 21 -6.281 -10.711 0.359 158 H VAL 22 HN VAL 22 -6.928 -7.283 -1.375 159 HA VAL 22 HA VAL 22 -5.734 -7.384 -3.942 160 HB VAL 22 HB VAL 22 -7.313 -5.509 -4.517 161 HG11 VAL 22 HG11 VAL 22 -7.795 -8.018 -4.588 162 HG12 VAL 22 HG12 VAL 22 -9.175 -6.925 -4.616 163 HG13 VAL 22 HG13 VAL 22 -8.736 -7.754 -3.115 164 HG21 VAL 22 HG21 VAL 22 -9.041 -4.932 -2.876 165 HG22 VAL 22 HG22 VAL 22 -7.439 -4.455 -2.315 166 HG23 VAL 22 HG23 VAL 22 -8.209 -5.902 -1.655 167 H THR 23 HN THR 23 -5.624 -4.812 -1.430 168 HA THR 23 HA THR 23 -3.667 -3.532 -3.155 169 HB THR 23 HB THR 23 -5.126 -1.984 -2.284 170 HG1 THR 23 HG1 THR 23 -2.666 -1.792 -0.913 171 HG21 THR 23 HG21 THR 23 -4.344 -2.754 0.497 172 HG22 THR 23 HG22 THR 23 -5.855 -3.234 -0.270 173 HG23 THR 23 HG23 THR 23 -5.521 -1.526 0.041 174 H ARG 24 HN ARG 24 -3.613 -5.784 -0.616 175 HA ARG 24 HA ARG 24 -0.924 -5.337 0.185 176 HB2 ARG 24 HB2 ARG 24 -2.230 -7.056 1.299 177 HB3 ARG 24 HB1 ARG 24 -2.480 -7.905 -0.216 178 HG2 ARG 24 HG2 ARG 24 0.163 -7.979 -0.186 179 HG3 ARG 24 HG1 ARG 24 -0.103 -7.824 1.552 180 HD2 ARG 24 HD2 ARG 24 -1.566 -9.780 1.498 181 HD3 ARG 24 HD1 ARG 24 -1.316 -9.917 -0.242 182 HE ARG 24 HE ARG 24 1.197 -9.983 0.892 183 HH11 ARG 24 HH11 ARG 24 -1.717 -11.899 1.123 184 HH12 ARG 24 HH12 ARG 24 -0.872 -13.381 1.433 185 HH21 ARG 24 HH21 ARG 24 2.319 -11.922 1.282 186 HH22 ARG 24 HH22 ARG 24 1.431 -13.401 1.501 187 H LYS 25 HN LYS 25 -2.474 -6.146 -2.682 188 HA LYS 25 HA LYS 25 -0.061 -6.969 -4.035 189 HB2 LYS 25 HB2 LYS 25 -1.782 -8.284 -4.791 190 HB3 LYS 25 HB1 LYS 25 -2.992 -7.052 -4.513 191 HG2 LYS 25 HG2 LYS 25 -2.796 -7.542 -6.863 192 HG3 LYS 25 HG1 LYS 25 -2.297 -5.890 -6.512 193 HD2 LYS 25 HD2 LYS 25 0.085 -6.747 -6.489 194 HD3 LYS 25 HD1 LYS 25 -0.544 -8.272 -7.115 195 HE2 LYS 25 HE2 LYS 25 -0.788 -5.571 -8.436 196 HE3 LYS 25 HE1 LYS 25 0.314 -6.861 -8.913 197 HZ1 LYS 25 HZ1 LYS 25 -2.650 -6.934 -9.018 198 HZ2 LYS 25 HZ2 LYS 25 -1.652 -8.258 -9.345 199 HZ3 LYS 25 HZ3 LYS 25 -1.588 -6.889 -10.333 200 H LEU 26 HN LEU 26 -2.407 -4.265 -3.832 201 HA LEU 26 HA LEU 26 -1.260 -2.790 -5.952 202 HB2 LEU 26 HB2 LEU 26 -3.533 -2.414 -5.330 203 HB3 LEU 26 HB1 LEU 26 -3.071 -1.997 -3.696 204 HG LEU 26 HG LEU 26 -3.773 -0.119 -5.279 205 HD11 LEU 26 HD11 LEU 26 -2.471 1.417 -4.088 206 HD12 LEU 26 HD12 LEU 26 -1.163 0.250 -3.884 207 HD13 LEU 26 HD13 LEU 26 -2.690 0.016 -3.029 208 HD21 LEU 26 HD21 LEU 26 -2.406 -0.770 -7.183 209 HD22 LEU 26 HD22 LEU 26 -0.953 -0.471 -6.229 210 HD23 LEU 26 HD23 LEU 26 -2.037 0.866 -6.632 211 H VAL 27 HN VAL 27 -0.947 -2.312 -2.383 212 HA VAL 27 HA VAL 27 0.870 -0.198 -2.553 213 HB VAL 27 HB VAL 27 -0.065 -0.696 -0.385 214 HG11 VAL 27 HG11 VAL 27 0.728 -2.712 0.879 215 HG12 VAL 27 HG12 VAL 27 1.344 -3.332 -0.656 216 HG13 VAL 27 HG13 VAL 27 -0.380 -3.037 -0.454 217 HG21 VAL 27 HG21 VAL 27 1.937 -0.694 1.013 218 HG22 VAL 27 HG22 VAL 27 2.159 0.344 -0.397 219 HG23 VAL 27 HG23 VAL 27 2.903 -1.259 -0.353 220 H LEU 28 HN LEU 28 1.264 -3.598 -2.657 221 HA LEU 28 HA LEU 28 4.030 -3.875 -2.705 222 HB2 LEU 28 HB2 LEU 28 1.936 -5.532 -2.696 223 HB3 LEU 28 HB1 LEU 28 2.301 -5.585 -4.404 224 HG LEU 28 HG LEU 28 4.461 -6.522 -3.993 225 HD11 LEU 28 HD11 LEU 28 3.832 -5.989 -1.104 226 HD12 LEU 28 HD12 LEU 28 5.127 -5.281 -2.073 227 HD13 LEU 28 HD13 LEU 28 5.173 -6.995 -1.661 228 HD21 LEU 28 HD21 LEU 28 3.793 -8.569 -2.707 229 HD22 LEU 28 HD22 LEU 28 2.691 -8.129 -4.013 230 HD23 LEU 28 HD23 LEU 28 2.264 -7.759 -2.339 231 H ASP 29 HN ASP 29 1.691 -3.460 -5.278 232 HA ASP 29 HA ASP 29 3.500 -3.677 -7.446 233 HB2 ASP 29 HB2 ASP 29 0.972 -3.930 -7.519 234 HB3 ASP 29 HB1 ASP 29 0.884 -2.179 -7.435 235 H GLN 30 HN GLN 30 2.086 -0.969 -5.694 236 HA GLN 30 HA GLN 30 3.267 1.118 -7.106 237 HB2 GLN 30 HB2 GLN 30 2.652 0.969 -4.175 238 HB3 GLN 30 HB1 GLN 30 2.818 2.432 -5.130 239 HG2 GLN 30 HG2 GLN 30 0.646 0.359 -5.363 240 HG3 GLN 30 HG1 GLN 30 0.508 2.007 -4.761 241 HE21 GLN 30 HE21 GLN 30 0.880 0.008 -7.560 242 HE22 GLN 30 HE22 GLN 30 0.493 1.221 -8.734 243 H ALA 31 HN ALA 31 4.328 -0.626 -4.244 244 HA ALA 31 HA ALA 31 6.717 0.791 -3.766 245 HB1 ALA 31 HB1 ALA 31 5.625 -0.733 -2.157 246 HB2 ALA 31 HB2 ALA 31 7.331 -1.120 -2.398 247 HB3 ALA 31 HB3 ALA 31 6.082 -2.102 -3.177 248 H ALA 32 HN ALA 32 5.826 -1.759 -5.872 249 HA ALA 32 HA ALA 32 8.419 -2.604 -6.642 250 HB1 ALA 32 HB1 ALA 32 6.782 -4.169 -7.074 251 HB2 ALA 32 HB2 ALA 32 6.929 -3.424 -8.668 252 HB3 ALA 32 HB3 ALA 32 5.598 -2.958 -7.593 253 H SER 33 HN SER 33 5.991 -0.404 -7.934 254 HA SER 33 HA SER 33 7.323 0.365 -10.272 255 HB2 SER 33 HB2 SER 33 4.960 0.819 -9.837 256 HB3 SER 33 HB1 SER 33 5.393 1.872 -8.492 257 HG SER 33 HG SER 33 5.117 2.498 -11.053 258 H VAL 34 HN VAL 34 7.464 1.528 -6.964 259 HA VAL 34 HA VAL 34 9.105 3.766 -7.335 260 HB VAL 34 HB VAL 34 9.153 1.947 -4.940 261 HG11 VAL 34 HG11 VAL 34 9.646 4.894 -5.307 262 HG12 VAL 34 HG12 VAL 34 10.822 3.660 -4.851 263 HG13 VAL 34 HG13 VAL 34 9.524 4.099 -3.738 264 HG21 VAL 34 HG21 VAL 34 7.320 3.237 -4.041 265 HG22 VAL 34 HG22 VAL 34 6.871 2.383 -5.510 266 HG23 VAL 34 HG23 VAL 34 7.185 4.120 -5.560 267 H LEU 35 HN LEU 35 9.832 0.568 -6.108 268 HA LEU 35 HA LEU 35 12.542 0.974 -5.780 269 HB2 LEU 35 HB2 LEU 35 10.588 -1.135 -5.609 270 HB3 LEU 35 HB1 LEU 35 12.192 -1.736 -5.997 271 HG LEU 35 HG LEU 35 12.992 -1.274 -3.905 272 HD11 LEU 35 HD11 LEU 35 12.770 1.134 -3.951 273 HD12 LEU 35 HD12 LEU 35 12.113 0.527 -2.432 274 HD13 LEU 35 HD13 LEU 35 11.022 1.011 -3.736 275 HD21 LEU 35 HD21 LEU 35 11.019 -1.450 -2.271 276 HD22 LEU 35 HD22 LEU 35 11.299 -2.761 -3.412 277 HD23 LEU 35 HD23 LEU 35 10.032 -1.572 -3.731 278 H GLY 36 HN GLY 36 10.799 -0.220 -8.596 279 HA2 GLY 36 HA2 GLY 36 12.193 0.227 -10.679 280 HA3 GLY 36 HA1 GLY 36 13.410 -0.727 -9.845 281 H TYR 37 HN TYR 37 10.211 -1.703 -9.380 282 HA TYR 37 HA TYR 37 10.885 -4.191 -10.772 283 HB2 TYR 37 HB2 TYR 37 8.765 -3.710 -8.682 284 HB3 TYR 37 HB1 TYR 37 9.382 -5.259 -9.225 285 HD1 TYR 37 HD1 TYR 37 9.240 -4.333 -6.341 286 HD2 TYR 37 HD2 TYR 37 12.306 -4.098 -9.262 287 HE1 TYR 37 HE1 TYR 37 10.910 -4.295 -4.555 288 HE2 TYR 37 HE2 TYR 37 13.993 -4.033 -7.503 289 HH TYR 37 HH TYR 37 14.146 -3.422 -5.077 290 H ALA 38 HN ALA 38 8.966 -5.426 -11.609 291 HA ALA 38 HA ALA 38 6.980 -3.609 -12.801 292 HB1 ALA 38 HB1 ALA 38 8.438 -5.787 -14.289 293 HB2 ALA 38 HB2 ALA 38 8.784 -4.062 -14.420 294 HB3 ALA 38 HB3 ALA 38 7.223 -4.691 -14.950 295 H SER 39 HN SER 39 7.576 -6.405 -11.058 296 HA SER 39 HA SER 39 4.839 -7.307 -11.428 297 HB2 SER 39 HB2 SER 39 6.135 -8.547 -13.132 298 HB3 SER 39 HB1 SER 39 7.212 -9.141 -11.873 299 HG SER 39 HG SER 39 5.309 -10.115 -10.912 300 H THR 40 HN THR 40 6.444 -6.042 -9.346 301 HA THR 40 HA THR 40 7.120 -6.191 -7.181 302 HB THR 40 HB THR 40 5.564 -7.367 -5.653 303 HG1 THR 40 HG1 THR 40 4.953 -8.744 -7.898 304 HG21 THR 40 HG21 THR 40 4.337 -5.697 -7.839 305 HG22 THR 40 HG22 THR 40 5.022 -5.126 -6.310 306 HG23 THR 40 HG23 THR 40 3.534 -6.078 -6.315 307 H GLU 41 HN GLU 41 8.623 -7.751 -8.817 308 HA GLU 41 HA GLU 41 8.802 -10.455 -8.286 309 HB2 GLU 41 HB2 GLU 41 11.269 -10.104 -9.013 310 HB3 GLU 41 HB1 GLU 41 9.970 -9.779 -10.147 311 HG2 GLU 41 HG2 GLU 41 10.936 -7.508 -8.523 312 HG3 GLU 41 HG1 GLU 41 11.996 -8.116 -9.794 313 H SER 42 HN SER 42 11.094 -8.044 -6.945 314 HA SER 42 HA SER 42 11.784 -10.025 -4.927 315 HB2 SER 42 HB2 SER 42 13.701 -8.337 -4.531 316 HB3 SER 42 HB1 SER 42 13.710 -9.273 -6.026 317 HG SER 42 HG SER 42 14.080 -6.970 -6.281 318 H LEU 43 HN LEU 43 9.321 -8.633 -4.621 319 HA LEU 43 HA LEU 43 9.877 -6.972 -2.282 320 HB2 LEU 43 HB2 LEU 43 7.414 -7.424 -3.928 321 HB3 LEU 43 HB1 LEU 43 7.389 -6.557 -2.405 322 HG LEU 43 HG LEU 43 9.071 -5.744 -4.766 323 HD11 LEU 43 HD11 LEU 43 6.415 -4.727 -3.812 324 HD12 LEU 43 HD12 LEU 43 6.727 -5.608 -5.307 325 HD13 LEU 43 HD13 LEU 43 7.403 -3.993 -5.076 326 HD21 LEU 43 HD21 LEU 43 9.210 -3.628 -3.519 327 HD22 LEU 43 HD22 LEU 43 9.932 -4.978 -2.644 328 HD23 LEU 43 HD23 LEU 43 8.336 -4.381 -2.186 329 H ASP 44 HN ASP 44 8.491 -7.238 -0.423 330 HA ASP 44 HA ASP 44 7.382 -9.920 -0.050 331 HB2 ASP 44 HB2 ASP 44 9.803 -9.405 1.033 332 HB3 ASP 44 HB1 ASP 44 8.774 -8.707 2.277 333 H THR 45 HN THR 45 5.675 -9.969 1.448 334 HA THR 45 HA THR 45 4.627 -7.307 2.107 335 HB THR 45 HB THR 45 2.457 -8.648 2.477 336 HG1 THR 45 HG1 THR 45 3.831 -10.464 0.753 337 HG21 THR 45 HG21 THR 45 1.986 -8.620 0.016 338 HG22 THR 45 HG22 THR 45 3.679 -8.194 -0.231 339 HG23 THR 45 HG23 THR 45 2.619 -7.118 0.679 340 H HIS 46 HN HIS 46 6.261 -9.820 3.442 341 HA HIS 46 HA HIS 46 5.018 -9.436 6.084 342 HB2 HIS 46 HB2 HIS 46 6.773 -11.686 5.073 343 HB3 HIS 46 HB1 HIS 46 6.168 -11.548 6.713 344 HD1 HIS 46 HD1 HIS 46 4.257 -13.043 7.092 345 HD2 HIS 46 HD2 HIS 46 4.343 -11.608 3.202 346 HE1 HIS 46 HE1 HIS 46 2.290 -14.095 5.946 347 HE2 HIS 46 HE2 HIS 46 2.534 -13.426 3.535 348 H GLU 47 HN GLU 47 7.316 -8.151 4.293 349 HA GLU 47 HA GLU 47 9.157 -7.759 6.544 350 HB2 GLU 47 HB2 GLU 47 10.933 -8.375 5.327 351 HB3 GLU 47 HB1 GLU 47 9.787 -9.093 4.215 352 HG2 GLU 47 HG2 GLU 47 9.805 -6.996 2.891 353 HG3 GLU 47 HG1 GLU 47 11.032 -6.358 3.995 354 H SER 48 HN SER 48 10.220 -5.635 6.515 355 HA SER 48 HA SER 48 8.161 -3.716 5.901 356 HB2 SER 48 HB2 SER 48 9.029 -3.352 7.998 357 HB3 SER 48 HB1 SER 48 10.691 -3.565 7.503 358 HG SER 48 HG SER 48 9.846 -1.352 7.956 359 H PHE 49 HN PHE 49 8.502 -1.780 5.039 360 HA PHE 49 HA PHE 49 9.675 -1.769 2.469 361 HB2 PHE 49 HB2 PHE 49 8.694 0.503 4.184 362 HB3 PHE 49 HB1 PHE 49 9.135 0.665 2.487 363 HD1 PHE 49 HD1 PHE 49 7.721 -0.157 0.765 364 HD2 PHE 49 HD2 PHE 49 6.696 -0.706 4.850 365 HE1 PHE 49 HE1 PHE 49 5.459 -0.822 0.105 366 HE2 PHE 49 HE2 PHE 49 4.422 -1.371 4.194 367 HZ PHE 49 HZ PHE 49 3.757 -1.311 1.887 368 H LYS 50 HN LYS 50 10.704 -0.707 5.586 369 HA LYS 50 HA LYS 50 13.044 0.602 5.178 370 HB2 LYS 50 HB2 LYS 50 12.087 -0.115 7.351 371 HB3 LYS 50 HB1 LYS 50 12.593 -1.754 7.003 372 HG2 LYS 50 HG2 LYS 50 14.101 -0.671 8.551 373 HG3 LYS 50 HG1 LYS 50 14.914 -1.097 7.049 374 HD2 LYS 50 HD2 LYS 50 15.650 1.083 7.702 375 HD3 LYS 50 HD1 LYS 50 14.600 1.262 6.298 376 HE2 LYS 50 HE2 LYS 50 12.757 1.924 7.730 377 HE3 LYS 50 HE1 LYS 50 13.751 1.663 9.163 378 HZ1 LYS 50 HZ1 LYS 50 15.235 3.419 8.401 379 HZ2 LYS 50 HZ2 LYS 50 13.658 3.999 8.586 380 HZ3 LYS 50 HZ3 LYS 50 14.263 3.677 7.040 381 H ASP 51 HN ASP 51 12.625 -2.889 5.237 382 HA ASP 51 HA ASP 51 15.219 -3.506 4.290 383 HB2 ASP 51 HB2 ASP 51 13.649 -5.073 5.489 384 HB3 ASP 51 HB1 ASP 51 12.785 -5.241 3.966 385 H LEU 52 HN LEU 52 12.211 -2.828 2.667 386 HA LEU 52 HA LEU 52 12.923 -3.765 0.087 387 HB2 LEU 52 HB2 LEU 52 10.817 -1.940 1.153 388 HB3 LEU 52 HB1 LEU 52 11.051 -2.059 -0.561 389 HG LEU 52 HG LEU 52 10.490 -4.426 -0.528 390 HD11 LEU 52 HD11 LEU 52 10.198 -4.027 2.426 391 HD12 LEU 52 HD12 LEU 52 11.381 -5.051 1.610 392 HD13 LEU 52 HD13 LEU 52 9.663 -5.454 1.542 393 HD21 LEU 52 HD21 LEU 52 8.544 -2.674 0.945 394 HD22 LEU 52 HD22 LEU 52 8.158 -4.283 0.334 395 HD23 LEU 52 HD23 LEU 52 8.609 -2.992 -0.790 396 H GLY 53 HN GLY 53 13.730 -1.021 1.904 397 HA2 GLY 53 HA2 GLY 53 15.673 0.178 1.293 398 HA3 GLY 53 HA1 GLY 53 15.259 -0.041 -0.394 399 H PHE 54 HN PHE 54 12.605 0.839 1.584 400 HA PHE 54 HA PHE 54 12.476 3.393 0.319 401 HB2 PHE 54 HB2 PHE 54 10.734 2.057 2.394 402 HB3 PHE 54 HB1 PHE 54 10.414 3.657 1.732 403 HD1 PHE 54 HD1 PHE 54 9.653 3.953 -0.533 404 HD2 PHE 54 HD2 PHE 54 10.573 0.101 1.014 405 HE1 PHE 54 HE1 PHE 54 8.482 2.925 -2.419 406 HE2 PHE 54 HE2 PHE 54 9.420 -0.945 -0.864 407 HZ PHE 54 HZ PHE 54 8.488 0.539 -2.724 408 H ASP 55 HN ASP 55 12.103 5.401 1.490 409 HA ASP 55 HA ASP 55 13.108 5.817 4.107 410 HB2 ASP 55 HB2 ASP 55 15.217 5.352 2.613 411 HB3 ASP 55 HB1 ASP 55 14.919 6.983 2.013 412 H SER 56 HN SER 56 14.075 8.498 3.621 413 HA SER 56 HA SER 56 11.553 9.838 3.329 414 HB2 SER 56 HB2 SER 56 13.029 11.901 3.667 415 HB3 SER 56 HB1 SER 56 13.025 10.716 4.973 416 HG SER 56 HG SER 56 15.002 9.929 4.236 417 H LEU 57 HN LEU 57 12.310 8.493 0.996 418 HA LEU 57 HA LEU 57 12.336 10.631 -0.970 419 HB2 LEU 57 HB2 LEU 57 14.015 8.154 -1.155 420 HB3 LEU 57 HB1 LEU 57 13.987 9.471 -2.308 421 HG LEU 57 HG LEU 57 14.928 9.755 0.538 422 HD11 LEU 57 HD11 LEU 57 16.322 8.137 -0.639 423 HD12 LEU 57 HD12 LEU 57 17.197 9.638 -0.348 424 HD13 LEU 57 HD13 LEU 57 16.561 9.288 -1.954 425 HD21 LEU 57 HD21 LEU 57 14.230 11.825 -0.533 426 HD22 LEU 57 HD22 LEU 57 15.290 11.491 -1.902 427 HD23 LEU 57 HD23 LEU 57 15.978 11.796 -0.308 428 H THR 58 HN THR 58 12.618 7.121 -0.966 429 HA THR 58 HA THR 58 10.832 6.777 -3.131 430 HB THR 58 HB THR 58 11.045 4.308 -2.358 431 HG1 THR 58 HG1 THR 58 13.360 4.780 -1.073 432 HG21 THR 58 HG21 THR 58 13.517 5.868 -3.109 433 HG22 THR 58 HG22 THR 58 12.283 5.304 -4.237 434 HG23 THR 58 HG23 THR 58 13.261 4.139 -3.344 435 H ALA 59 HN ALA 59 10.534 6.303 0.363 436 HA ALA 59 HA ALA 59 8.006 5.178 0.423 437 HB1 ALA 59 HB1 ALA 59 9.523 5.475 2.392 438 HB2 ALA 59 HB2 ALA 59 7.855 5.962 2.702 439 HB3 ALA 59 HB3 ALA 59 9.094 7.185 2.409 440 H LEU 60 HN LEU 60 9.071 8.465 -0.006 441 HA LEU 60 HA LEU 60 6.594 9.743 0.369 442 HB2 LEU 60 HB2 LEU 60 9.093 10.518 -1.113 443 HB3 LEU 60 HB1 LEU 60 7.702 11.580 -1.004 444 HG LEU 60 HG LEU 60 9.444 12.163 0.641 445 HD11 LEU 60 HD11 LEU 60 7.104 12.645 1.135 446 HD12 LEU 60 HD12 LEU 60 8.028 12.281 2.593 447 HD13 LEU 60 HD13 LEU 60 6.953 11.066 1.905 448 HD21 LEU 60 HD21 LEU 60 10.358 9.939 1.053 449 HD22 LEU 60 HD22 LEU 60 8.847 9.462 1.831 450 HD23 LEU 60 HD23 LEU 60 9.856 10.713 2.557 451 H GLU 61 HN GLU 61 8.246 8.658 -2.609 452 HA GLU 61 HA GLU 61 5.993 9.426 -4.216 453 HB2 GLU 61 HB2 GLU 61 7.168 7.923 -5.963 454 HB3 GLU 61 HB1 GLU 61 7.932 9.435 -5.479 455 HG2 GLU 61 HG2 GLU 61 9.381 8.180 -3.950 456 HG3 GLU 61 HG1 GLU 61 8.630 6.683 -4.494 457 H LEU 62 HN LEU 62 6.997 6.489 -2.593 458 HA LEU 62 HA LEU 62 5.043 4.774 -3.730 459 HB2 LEU 62 HB2 LEU 62 6.815 3.847 -2.399 460 HB3 LEU 62 HB1 LEU 62 6.306 4.777 -1.005 461 HG LEU 62 HG LEU 62 4.201 3.530 -0.923 462 HD11 LEU 62 HD11 LEU 62 3.944 1.526 -2.309 463 HD12 LEU 62 HD12 LEU 62 5.375 1.999 -3.223 464 HD13 LEU 62 HD13 LEU 62 3.937 3.018 -3.250 465 HD21 LEU 62 HD21 LEU 62 6.587 1.717 -1.030 466 HD22 LEU 62 HD22 LEU 62 5.105 1.486 -0.096 467 HD23 LEU 62 HD23 LEU 62 6.208 2.805 0.302 468 H ARG 63 HN ARG 63 5.049 6.816 -0.858 469 HA ARG 63 HA ARG 63 2.483 6.270 0.100 470 HB2 ARG 63 HB2 ARG 63 3.931 7.534 1.480 471 HB3 ARG 63 HB1 ARG 63 4.328 8.656 0.188 472 HG2 ARG 63 HG2 ARG 63 1.786 9.255 0.327 473 HG3 ARG 63 HG1 ARG 63 1.934 8.573 1.949 474 HD2 ARG 63 HD2 ARG 63 2.295 10.973 1.994 475 HD3 ARG 63 HD1 ARG 63 3.770 10.114 2.426 476 HE ARG 63 HE ARG 63 4.450 10.528 0.029 477 HH11 ARG 63 HH11 ARG 63 2.253 12.647 1.744 478 HH12 ARG 63 HH12 ARG 63 2.666 14.046 0.807 479 HH21 ARG 63 HH21 ARG 63 4.996 12.383 -1.217 480 HH22 ARG 63 HH22 ARG 63 4.218 13.896 -0.873 481 H ASP 64 HN ASP 64 3.775 8.641 -2.143 482 HA ASP 64 HA ASP 64 1.478 9.912 -2.987 483 HB2 ASP 64 HB2 ASP 64 3.812 10.535 -3.550 484 HB3 ASP 64 HB1 ASP 64 3.863 9.175 -4.658 485 H HIS 65 HN HIS 65 2.975 6.927 -4.140 486 HA HIS 65 HA HIS 65 1.239 6.399 -6.267 487 HB2 HIS 65 HB2 HIS 65 2.837 4.573 -4.515 488 HB3 HIS 65 HB1 HIS 65 1.939 4.013 -5.904 489 HD1 HIS 65 HD1 HIS 65 2.895 6.667 -7.631 490 HD2 HIS 65 HD2 HIS 65 5.202 3.851 -5.666 491 HE1 HIS 65 HE1 HIS 65 5.178 6.767 -8.707 492 HE2 HIS 65 HE2 HIS 65 6.526 5.003 -7.561 493 H LEU 66 HN LEU 66 1.052 5.495 -2.823 494 HA LEU 66 HA LEU 66 -1.166 3.766 -3.136 495 HB2 LEU 66 HB2 LEU 66 0.073 5.207 -0.841 496 HB3 LEU 66 HB1 LEU 66 -1.450 4.380 -0.618 497 HG LEU 66 HG LEU 66 -0.508 2.281 -0.790 498 HD11 LEU 66 HD11 LEU 66 1.631 1.775 -1.847 499 HD12 LEU 66 HD12 LEU 66 1.840 3.481 -2.244 500 HD13 LEU 66 HD13 LEU 66 0.527 2.559 -2.973 501 HD21 LEU 66 HD21 LEU 66 1.683 4.052 0.254 502 HD22 LEU 66 HD22 LEU 66 1.611 2.302 0.477 503 HD23 LEU 66 HD23 LEU 66 0.363 3.334 1.177 504 H GLN 67 HN GLN 67 -0.904 7.186 -2.374 505 HA GLN 67 HA GLN 67 -3.689 7.578 -1.858 506 HB2 GLN 67 HB2 GLN 67 -1.816 9.723 -2.798 507 HB3 GLN 67 HB1 GLN 67 -3.187 9.869 -1.708 508 HG2 GLN 67 HG2 GLN 67 -2.046 8.963 0.070 509 HG3 GLN 67 HG1 GLN 67 -0.893 8.152 -0.992 510 HE21 GLN 67 HE21 GLN 67 -0.308 10.404 -2.616 511 HE22 GLN 67 HE22 GLN 67 0.644 11.482 -1.671 512 H THR 68 HN THR 68 -1.617 7.816 -4.672 513 HA THR 68 HA THR 68 -3.574 8.838 -6.421 514 HB THR 68 HB THR 68 -0.875 7.639 -6.550 515 HG1 THR 68 HG1 THR 68 -1.396 9.755 -8.179 516 HG21 THR 68 HG21 THR 68 -0.878 7.621 -9.016 517 HG22 THR 68 HG22 THR 68 -2.623 7.885 -8.999 518 HG23 THR 68 HG23 THR 68 -1.946 6.401 -8.324 519 H ALA 69 HN ALA 69 -2.314 5.666 -5.717 520 HA ALA 69 HA ALA 69 -3.888 4.097 -7.346 521 HB1 ALA 69 HB1 ALA 69 -3.340 2.283 -5.829 522 HB2 ALA 69 HB2 ALA 69 -2.817 3.459 -4.620 523 HB3 ALA 69 HB3 ALA 69 -1.938 3.309 -6.142 524 H THR 70 HN THR 70 -4.502 5.044 -3.964 525 HA THR 70 HA THR 70 -7.049 3.629 -4.036 526 HB THR 70 HB THR 70 -7.166 4.068 -1.638 527 HG1 THR 70 HG1 THR 70 -4.644 5.342 -1.723 528 HG21 THR 70 HG21 THR 70 -5.741 2.206 -2.475 529 HG22 THR 70 HG22 THR 70 -5.207 2.858 -0.928 530 HG23 THR 70 HG23 THR 70 -4.354 3.296 -2.407 531 H GLY 71 HN GLY 71 -5.798 6.868 -3.849 532 HA2 GLY 71 HA2 GLY 71 -6.955 8.823 -4.457 533 HA3 GLY 71 HA1 GLY 71 -8.472 7.944 -4.301 534 H LEU 72 HN LEU 72 -6.571 7.206 -1.730 535 HA LEU 72 HA LEU 72 -8.229 8.865 0.014 536 HB2 LEU 72 HB2 LEU 72 -6.672 6.323 0.356 537 HB3 LEU 72 HB1 LEU 72 -7.178 7.245 1.755 538 HG LEU 72 HG LEU 72 -8.681 5.346 1.220 539 HD11 LEU 72 HD11 LEU 72 -9.998 8.037 0.936 540 HD12 LEU 72 HD12 LEU 72 -9.504 7.288 2.455 541 HD13 LEU 72 HD13 LEU 72 -10.763 6.538 1.475 542 HD21 LEU 72 HD21 LEU 72 -10.199 5.480 -0.675 543 HD22 LEU 72 HD22 LEU 72 -8.521 5.375 -1.206 544 HD23 LEU 72 HD23 LEU 72 -9.363 6.922 -1.251 545 H ASN 73 HN ASN 73 -6.646 8.858 2.297 546 HA ASN 73 HA ASN 73 -4.531 10.715 1.442 547 HB2 ASN 73 HB2 ASN 73 -6.551 11.860 2.322 548 HB3 ASN 73 HB1 ASN 73 -6.343 11.001 3.843 549 HD21 ASN 73 HD21 ASN 73 -3.745 12.329 1.871 550 HD22 ASN 73 HD22 ASN 73 -3.239 13.514 3.029 551 H LEU 74 HN LEU 74 -2.749 9.467 1.783 552 HA LEU 74 HA LEU 74 -2.508 8.067 4.318 553 HB2 LEU 74 HB2 LEU 74 -0.914 7.896 1.771 554 HB3 LEU 74 HB1 LEU 74 -0.527 7.003 3.240 555 HG LEU 74 HG LEU 74 -3.005 6.155 3.010 556 HD11 LEU 74 HD11 LEU 74 -3.535 7.621 1.079 557 HD12 LEU 74 HD12 LEU 74 -3.771 5.908 0.736 558 HD13 LEU 74 HD13 LEU 74 -2.337 6.744 0.125 559 HD21 LEU 74 HD21 LEU 74 -2.135 4.300 1.578 560 HD22 LEU 74 HD22 LEU 74 -1.178 4.671 3.011 561 HD23 LEU 74 HD23 LEU 74 -0.640 5.220 1.421 562 H SER 75 HN SER 75 0.478 8.083 4.291 563 HA SER 75 HA SER 75 0.817 10.821 5.292 564 HB2 SER 75 HB2 SER 75 1.838 9.723 7.393 565 HB3 SER 75 HB1 SER 75 0.082 9.774 7.251 566 HG SER 75 HG SER 75 0.698 7.711 7.852 567 H SER 76 HN SER 76 3.113 11.234 6.072 568 HA SER 76 HA SER 76 4.881 10.739 3.940 569 HB2 SER 76 HB2 SER 76 6.578 11.800 5.502 570 HB3 SER 76 HB1 SER 76 5.125 12.752 5.194 571 HG SER 76 HG SER 76 5.882 12.480 7.473 572 H THR 77 HN THR 77 4.823 9.437 7.236 573 HA THR 77 HA THR 77 6.959 7.547 6.518 574 HB THR 77 HB THR 77 7.036 7.134 9.023 575 HG1 THR 77 HG1 THR 77 5.375 8.011 10.031 576 HG21 THR 77 HG21 THR 77 8.696 8.494 7.886 577 HG22 THR 77 HG22 THR 77 8.320 9.191 9.461 578 HG23 THR 77 HG23 THR 77 7.644 9.903 7.996 579 H LEU 78 HN LEU 78 4.327 7.429 5.642 580 HA LEU 78 HA LEU 78 2.438 5.916 6.852 581 HB2 LEU 78 HB2 LEU 78 2.411 7.047 4.641 582 HB3 LEU 78 HB1 LEU 78 3.388 5.751 4.011 583 HG LEU 78 HG LEU 78 0.770 5.885 3.687 584 HD11 LEU 78 HD11 LEU 78 0.820 3.402 3.374 585 HD12 LEU 78 HD12 LEU 78 2.472 3.445 3.994 586 HD13 LEU 78 HD13 LEU 78 2.057 4.328 2.511 587 HD21 LEU 78 HD21 LEU 78 -0.013 5.783 5.846 588 HD22 LEU 78 HD22 LEU 78 1.185 4.583 6.339 589 HD23 LEU 78 HD23 LEU 78 -0.162 4.112 5.295 590 H ILE 79 HN ILE 79 4.934 4.595 4.715 591 HA ILE 79 HA ILE 79 4.375 1.877 5.454 592 HB ILE 79 HB ILE 79 6.186 1.320 3.949 593 HG12 ILE 79 HG12 ILE 79 6.778 4.266 4.066 594 HG13 ILE 79 HG11 ILE 79 7.866 2.925 4.417 595 HG21 ILE 79 HG21 ILE 79 5.390 2.434 1.920 596 HG22 ILE 79 HG22 ILE 79 4.483 3.577 2.916 597 HG23 ILE 79 HG23 ILE 79 4.064 1.860 2.933 598 HD11 ILE 79 HD11 ILE 79 6.832 3.860 1.771 599 HD12 ILE 79 HD12 ILE 79 7.606 2.284 1.987 600 HD13 ILE 79 HD13 ILE 79 8.504 3.762 2.326 601 H PHE 80 HN PHE 80 5.822 4.089 7.266 602 HA PHE 80 HA PHE 80 7.595 2.081 8.468 603 HB2 PHE 80 HB2 PHE 80 7.842 5.095 8.525 604 HB3 PHE 80 HB1 PHE 80 8.871 3.989 9.429 605 HD1 PHE 80 HD1 PHE 80 9.055 6.049 6.814 606 HD2 PHE 80 HD2 PHE 80 9.515 1.889 7.613 607 HE1 PHE 80 HE1 PHE 80 10.568 5.854 4.889 608 HE2 PHE 80 HE2 PHE 80 11.022 1.683 5.685 609 HZ PHE 80 HZ PHE 80 11.458 3.635 4.249 610 H ASP 81 HN ASP 81 4.841 3.956 8.684 611 HA ASP 81 HA ASP 81 4.482 3.698 11.533 612 HB2 ASP 81 HB2 ASP 81 3.351 5.371 9.717 613 HB3 ASP 81 HB1 ASP 81 2.171 4.076 9.742 614 H HIS 82 HN HIS 82 3.584 2.260 8.539 615 HA HIS 82 HA HIS 82 2.625 -0.157 9.883 616 HB2 HIS 82 HB2 HIS 82 1.812 0.839 7.141 617 HB3 HIS 82 HB1 HIS 82 1.078 -0.462 8.065 618 HD1 HIS 82 HD1 HIS 82 -0.395 0.238 10.132 619 HD2 HIS 82 HD2 HIS 82 0.985 3.391 7.788 620 HE1 HIS 82 HE1 HIS 82 -1.661 2.266 10.912 621 HE2 HIS 82 HE2 HIS 82 -0.618 4.185 9.663 622 HA PRO 83 HA PRO 83 6.619 -1.083 8.447 623 HB2 PRO 83 HB2 PRO 83 6.628 -3.764 9.039 624 HB3 PRO 83 HB1 PRO 83 6.844 -2.484 10.238 625 HG2 PRO 83 HG2 PRO 83 4.351 -3.998 9.512 626 HG3 PRO 83 HG1 PRO 83 4.978 -3.572 11.122 627 HD2 PRO 83 HD2 PRO 83 3.010 -2.154 9.985 628 HD3 PRO 83 HD1 PRO 83 4.270 -1.364 10.942 629 H THR 84 HN THR 84 4.031 -3.267 7.343 630 HA THR 84 HA THR 84 5.729 -3.887 5.041 631 HB THR 84 HB THR 84 4.688 -6.075 4.956 632 HG1 THR 84 HG1 THR 84 3.434 -6.490 7.106 633 HG21 THR 84 HG21 THR 84 6.698 -5.786 6.356 634 HG22 THR 84 HG22 THR 84 5.635 -7.048 6.979 635 HG23 THR 84 HG23 THR 84 5.664 -5.461 7.748 636 HA PRO 85 HA PRO 85 2.469 -2.630 2.303 637 HB2 PRO 85 HB2 PRO 85 2.804 -5.254 0.972 638 HB3 PRO 85 HB1 PRO 85 2.921 -3.637 0.285 639 HG2 PRO 85 HG2 PRO 85 5.090 -5.162 0.713 640 HG3 PRO 85 HG1 PRO 85 5.127 -3.397 0.867 641 HD2 PRO 85 HD2 PRO 85 5.112 -5.477 2.983 642 HD3 PRO 85 HD1 PRO 85 5.856 -3.873 2.983 643 H HIS 86 HN HIS 86 2.565 -5.525 4.059 644 HA HIS 86 HA HIS 86 -0.175 -6.311 3.664 645 HB2 HIS 86 HB2 HIS 86 1.091 -8.095 4.399 646 HB3 HIS 86 HB1 HIS 86 2.079 -7.104 5.448 647 HD1 HIS 86 HD1 HIS 86 -0.803 -9.380 5.480 648 HD2 HIS 86 HD2 HIS 86 0.791 -6.423 7.947 649 HE1 HIS 86 HE1 HIS 86 -1.822 -9.770 7.744 650 HE2 HIS 86 HE2 HIS 86 -0.975 -7.878 9.174 651 H ALA 87 HN ALA 87 1.675 -4.587 6.109 652 HA ALA 87 HA ALA 87 -0.549 -4.053 7.825 653 HB1 ALA 87 HB1 ALA 87 2.144 -2.695 7.718 654 HB2 ALA 87 HB2 ALA 87 1.788 -4.166 8.630 655 HB3 ALA 87 HB3 ALA 87 0.999 -2.649 9.061 656 H VAL 88 HN VAL 88 0.801 -2.672 5.073 657 HA VAL 88 HA VAL 88 -0.335 -0.036 5.485 658 HB VAL 88 HB VAL 88 1.182 -1.281 3.214 659 HG11 VAL 88 HG11 VAL 88 0.106 1.510 3.459 660 HG12 VAL 88 HG12 VAL 88 -0.345 0.291 2.267 661 HG13 VAL 88 HG13 VAL 88 1.276 0.989 2.246 662 HG21 VAL 88 HG21 VAL 88 2.939 0.314 3.862 663 HG22 VAL 88 HG22 VAL 88 2.547 -0.827 5.148 664 HG23 VAL 88 HG23 VAL 88 1.939 0.832 5.220 665 H ALA 89 HN ALA 89 -0.808 -2.820 3.363 666 HA ALA 89 HA ALA 89 -2.911 -1.750 1.871 667 HB1 ALA 89 HB1 ALA 89 -1.835 -3.771 1.158 668 HB2 ALA 89 HB2 ALA 89 -3.548 -4.096 1.410 669 HB3 ALA 89 HB3 ALA 89 -2.364 -4.619 2.610 670 H GLU 90 HN GLU 90 -2.934 -3.493 5.005 671 HA GLU 90 HA GLU 90 -5.799 -3.445 5.135 672 HB2 GLU 90 HB2 GLU 90 -5.430 -4.027 7.544 673 HB3 GLU 90 HB1 GLU 90 -4.666 -5.123 6.401 674 HG2 GLU 90 HG2 GLU 90 -2.539 -4.067 6.756 675 HG3 GLU 90 HG1 GLU 90 -3.269 -2.884 7.835 676 H HIS 91 HN HIS 91 -3.205 -1.336 6.051 677 HA HIS 91 HA HIS 91 -4.668 0.511 7.556 678 HB2 HIS 91 HB2 HIS 91 -2.322 0.694 7.675 679 HB3 HIS 91 HB1 HIS 91 -2.151 0.723 5.918 680 HD1 HIS 91 HD1 HIS 91 -3.450 2.925 8.742 681 HD2 HIS 91 HD2 HIS 91 -2.100 3.170 4.824 682 HE1 HIS 91 HE1 HIS 91 -3.285 5.382 8.247 683 HE2 HIS 91 HE2 HIS 91 -2.636 5.514 5.822 684 H LEU 92 HN LEU 92 -4.484 -0.134 4.170 685 HA LEU 92 HA LEU 92 -5.629 2.337 3.335 686 HB2 LEU 92 HB2 LEU 92 -4.875 -0.227 2.038 687 HB3 LEU 92 HB1 LEU 92 -6.095 0.754 1.237 688 HG LEU 92 HG LEU 92 -4.617 2.509 0.837 689 HD11 LEU 92 HD11 LEU 92 -2.288 2.498 1.894 690 HD12 LEU 92 HD12 LEU 92 -2.968 1.366 3.062 691 HD13 LEU 92 HD13 LEU 92 -3.648 2.988 2.903 692 HD21 LEU 92 HD21 LEU 92 -4.082 0.573 -0.525 693 HD22 LEU 92 HD22 LEU 92 -2.940 0.021 0.700 694 HD23 LEU 92 HD23 LEU 92 -2.638 1.522 -0.176 695 H LEU 93 HN LEU 93 -6.828 -0.394 4.820 696 HA LEU 93 HA LEU 93 -9.529 -0.288 3.785 697 HB2 LEU 93 HB2 LEU 93 -8.266 -1.725 6.090 698 HB3 LEU 93 HB1 LEU 93 -9.998 -1.729 5.850 699 HG LEU 93 HG LEU 93 -9.852 -3.063 3.934 700 HD11 LEU 93 HD11 LEU 93 -8.156 -1.896 2.702 701 HD12 LEU 93 HD12 LEU 93 -7.689 -3.595 2.832 702 HD13 LEU 93 HD13 LEU 93 -6.918 -2.380 3.863 703 HD21 LEU 93 HD21 LEU 93 -9.354 -4.246 6.013 704 HD22 LEU 93 HD22 LEU 93 -7.631 -3.944 5.767 705 HD23 LEU 93 HD23 LEU 93 -8.520 -4.969 4.636 706 H GLU 94 HN GLU 94 -7.676 0.891 6.405 707 HA GLU 94 HA GLU 94 -9.661 1.865 8.119 708 HB2 GLU 94 HB2 GLU 94 -6.854 2.762 7.517 709 HB3 GLU 94 HB1 GLU 94 -7.800 3.408 8.863 710 HG2 GLU 94 HG2 GLU 94 -6.854 0.581 8.458 711 HG3 GLU 94 HG1 GLU 94 -6.313 1.724 9.682 712 H GLN 95 HN GLN 95 -8.388 3.013 5.119 713 HA GLN 95 HA GLN 95 -9.358 5.704 5.347 714 HB2 GLN 95 HB2 GLN 95 -8.562 4.292 2.818 715 HB3 GLN 95 HB1 GLN 95 -8.348 5.986 3.242 716 HG2 GLN 95 HG2 GLN 95 -6.909 3.756 4.640 717 HG3 GLN 95 HG1 GLN 95 -6.270 4.567 3.218 718 HE21 GLN 95 HE21 GLN 95 -5.376 4.391 6.018 719 HE22 GLN 95 HE22 GLN 95 -5.150 6.029 6.526 720 H ILE 96 HN ILE 96 -10.576 2.668 4.407 721 HA ILE 96 HA ILE 96 -12.265 3.450 2.269 722 HB ILE 96 HB ILE 96 -12.125 0.941 3.917 723 HG12 ILE 96 HG12 ILE 96 -10.045 1.667 2.836 724 HG13 ILE 96 HG11 ILE 96 -10.636 0.147 2.209 725 HG21 ILE 96 HG21 ILE 96 -14.223 1.186 2.581 726 HG22 ILE 96 HG22 ILE 96 -13.235 -0.222 2.199 727 HG23 ILE 96 HG23 ILE 96 -13.206 1.185 1.138 728 HD11 ILE 96 HD11 ILE 96 -11.373 1.179 0.200 729 HD12 ILE 96 HD12 ILE 96 -9.731 1.758 0.513 730 HD13 ILE 96 HD13 ILE 96 -11.120 2.791 0.870 731 HA PRO 97 HA PRO 97 -15.772 4.884 4.411 732 HB2 PRO 97 HB2 PRO 97 -17.565 4.815 2.446 733 HB3 PRO 97 HB1 PRO 97 -16.129 5.843 2.341 734 HG2 PRO 97 HG2 PRO 97 -16.556 3.110 1.188 735 HG3 PRO 97 HG1 PRO 97 -15.973 4.567 0.375 736 HD2 PRO 97 HD2 PRO 97 -14.298 2.686 1.303 737 HD3 PRO 97 HD1 PRO 97 -13.886 4.399 1.310 738 H GLY 98 HN GLY 98 -15.920 2.965 5.892 739 HA2 GLY 98 HA2 GLY 98 -17.549 1.792 7.061 740 HA3 GLY 98 HA1 GLY 98 -18.622 1.963 5.683 741 H ILE 99 HN ILE 99 -17.516 0.718 3.679 742 HA ILE 99 HA ILE 99 -17.865 -2.010 4.113 743 HB ILE 99 HB ILE 99 -16.341 -2.088 1.914 744 HG12 ILE 99 HG12 ILE 99 -17.497 0.633 1.571 745 HG13 ILE 99 HG11 ILE 99 -16.001 0.494 2.482 746 HG21 ILE 99 HG21 ILE 99 -18.386 -1.705 0.611 747 HG22 ILE 99 HG22 ILE 99 -19.159 -1.029 2.045 748 HG23 ILE 99 HG23 ILE 99 -18.675 -2.724 2.020 749 HD11 ILE 99 HD11 ILE 99 -15.501 0.989 0.207 750 HD12 ILE 99 HD12 ILE 99 -16.471 -0.382 -0.352 751 HD13 ILE 99 HD13 ILE 99 -14.983 -0.663 0.566 752 H GLY 100 HN GLY 100 -15.017 -0.049 4.439 753 HA2 GLY 100 HA2 GLY 100 -13.442 -2.470 5.012 754 HA3 GLY 100 HA1 GLY 100 -12.769 -1.041 4.231 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 -14.362 15.910 -2.229 2 H2 GLY 1 HT2 GLY 1 -15.114 15.601 -0.747 3 H3 GLY 1 HT3 GLY 1 -14.603 14.316 -1.717 4 HA2 GLY 1 HA1 GLY 1 -12.849 16.305 -0.386 5 HA3 GLY 1 HA2 GLY 1 -13.081 14.640 0.124 6 H SER 2 HN SER 2 -12.509 12.961 -1.484 7 HA SER 2 HA SER 2 -10.508 13.828 -3.440 8 HB2 SER 2 HB2 SER 2 -9.026 11.965 -2.728 9 HB3 SER 2 HB1 SER 2 -9.257 13.154 -1.448 10 HG SER 2 HG SER 2 -9.814 10.526 -1.441 11 H THR 3 HN THR 3 -9.796 11.453 -4.527 12 HA THR 3 HA THR 3 -12.075 10.664 -5.987 13 HB THR 3 HB THR 3 -9.380 9.319 -5.719 14 HG1 THR 3 HG1 THR 3 -8.781 10.854 -7.030 15 HG21 THR 3 HG21 THR 3 -10.988 7.697 -6.498 16 HG22 THR 3 HG22 THR 3 -9.967 8.199 -7.852 17 HG23 THR 3 HG23 THR 3 -11.607 8.834 -7.699 18 H ALA 4 HN ALA 4 -10.084 8.296 -4.298 19 HA ALA 4 HA ALA 4 -10.522 6.471 -3.071 20 HB1 ALA 4 HB1 ALA 4 -13.073 7.872 -2.280 21 HB2 ALA 4 HB2 ALA 4 -11.511 8.064 -1.484 22 HB3 ALA 4 HB3 ALA 4 -12.331 6.502 -1.452 23 H THR 5 HN THR 5 -13.632 7.441 -4.532 24 HA THR 5 HA THR 5 -14.869 5.041 -4.863 25 HB THR 5 HB THR 5 -14.824 7.145 -7.019 26 HG1 THR 5 HG1 THR 5 -16.071 8.387 -5.742 27 HG21 THR 5 HG21 THR 5 -17.159 6.506 -7.327 28 HG22 THR 5 HG22 THR 5 -17.025 5.331 -6.020 29 HG23 THR 5 HG23 THR 5 -16.110 5.099 -7.511 30 H LEU 6 HN LEU 6 -12.091 6.118 -6.617 31 HA LEU 6 HA LEU 6 -12.052 4.355 -8.755 32 HB2 LEU 6 HB2 LEU 6 -10.398 6.036 -8.660 33 HB3 LEU 6 HB1 LEU 6 -9.915 5.573 -7.039 34 HG LEU 6 HG LEU 6 -8.889 3.522 -7.925 35 HD11 LEU 6 HD11 LEU 6 -10.319 3.196 -9.874 36 HD12 LEU 6 HD12 LEU 6 -8.617 3.227 -10.330 37 HD13 LEU 6 HD13 LEU 6 -9.634 4.636 -10.627 38 HD21 LEU 6 HD21 LEU 6 -6.997 4.588 -8.992 39 HD22 LEU 6 HD22 LEU 6 -7.594 5.593 -7.670 40 HD23 LEU 6 HD23 LEU 6 -7.968 6.018 -9.340 41 H LEU 7 HN LEU 7 -10.298 3.910 -5.687 42 HA LEU 7 HA LEU 7 -10.055 1.090 -6.201 43 HB2 LEU 7 HB2 LEU 7 -8.644 2.991 -4.707 44 HB3 LEU 7 HB1 LEU 7 -9.327 1.880 -3.532 45 HG LEU 7 HG LEU 7 -7.049 1.227 -4.244 46 HD11 LEU 7 HD11 LEU 7 -8.781 -0.359 -3.426 47 HD12 LEU 7 HD12 LEU 7 -7.567 -1.099 -4.475 48 HD13 LEU 7 HD13 LEU 7 -9.177 -0.725 -5.106 49 HD21 LEU 7 HD21 LEU 7 -6.637 0.397 -6.448 50 HD22 LEU 7 HD22 LEU 7 -7.328 2.014 -6.613 51 HD23 LEU 7 HD23 LEU 7 -8.330 0.594 -6.898 52 H THR 8 HN THR 8 -11.944 3.187 -4.196 53 HA THR 8 HA THR 8 -12.899 1.388 -2.300 54 HB THR 8 HB THR 8 -14.107 3.841 -3.524 55 HG1 THR 8 HG1 THR 8 -12.283 4.128 -2.183 56 HG21 THR 8 HG21 THR 8 -15.153 2.306 -1.145 57 HG22 THR 8 HG22 THR 8 -15.936 2.398 -2.721 58 HG23 THR 8 HG23 THR 8 -15.765 3.850 -1.733 59 H SER 9 HN SER 9 -13.931 1.977 -5.601 60 HA SER 9 HA SER 9 -16.287 0.406 -5.510 61 HB2 SER 9 HB2 SER 9 -14.507 1.354 -7.751 62 HB3 SER 9 HB1 SER 9 -15.967 0.396 -8.047 63 HG SER 9 HG SER 9 -15.666 3.036 -7.266 64 H LYS 10 HN LYS 10 -12.924 -0.339 -5.764 65 HA LYS 10 HA LYS 10 -13.200 -3.038 -6.604 66 HB2 LYS 10 HB2 LYS 10 -11.047 -1.682 -6.642 67 HB3 LYS 10 HB1 LYS 10 -11.005 -1.870 -4.889 68 HG2 LYS 10 HG2 LYS 10 -9.569 -3.506 -5.724 69 HG3 LYS 10 HG1 LYS 10 -11.046 -4.361 -5.292 70 HD2 LYS 10 HD2 LYS 10 -10.571 -3.386 -8.083 71 HD3 LYS 10 HD1 LYS 10 -9.912 -4.931 -7.536 72 HE2 LYS 10 HE2 LYS 10 -12.374 -5.391 -6.790 73 HE3 LYS 10 HE1 LYS 10 -12.758 -4.096 -7.922 74 HZ1 LYS 10 HZ1 LYS 10 -12.908 -6.222 -9.002 75 HZ2 LYS 10 HZ2 LYS 10 -11.309 -6.591 -8.592 76 HZ3 LYS 10 HZ3 LYS 10 -11.638 -5.328 -9.670 77 H LEU 11 HN LEU 11 -12.529 -1.547 -3.469 78 HA LEU 11 HA LEU 11 -12.600 -3.924 -1.988 79 HB2 LEU 11 HB2 LEU 11 -13.195 -1.135 -1.018 80 HB3 LEU 11 HB1 LEU 11 -12.861 -2.509 0.006 81 HG LEU 11 HG LEU 11 -10.798 -1.556 0.017 82 HD11 LEU 11 HD11 LEU 11 -10.611 -3.793 -1.011 83 HD12 LEU 11 HD12 LEU 11 -9.312 -2.695 -1.488 84 HD13 LEU 11 HD13 LEU 11 -10.643 -3.026 -2.605 85 HD21 LEU 11 HD21 LEU 11 -11.026 -0.695 -2.855 86 HD22 LEU 11 HD22 LEU 11 -9.881 -0.136 -1.629 87 HD23 LEU 11 HD23 LEU 11 -11.586 0.296 -1.506 88 H ALA 12 HN ALA 12 -15.124 -1.817 -3.057 89 HA ALA 12 HA ALA 12 -17.255 -2.606 -1.473 90 HB1 ALA 12 HB1 ALA 12 -18.663 -1.996 -3.396 91 HB2 ALA 12 HB2 ALA 12 -17.226 -1.974 -4.425 92 HB3 ALA 12 HB3 ALA 12 -17.388 -0.811 -3.108 93 H GLY 13 HN GLY 13 -15.653 -4.273 -4.096 94 HA2 GLY 13 HA2 GLY 13 -17.662 -6.392 -4.155 95 HA3 GLY 13 HA1 GLY 13 -16.281 -6.228 -5.231 96 H LEU 14 HN LEU 14 -14.952 -5.736 -2.314 97 HA LEU 14 HA LEU 14 -14.324 -8.576 -1.960 98 HB2 LEU 14 HB2 LEU 14 -12.847 -6.102 -1.175 99 HB3 LEU 14 HB1 LEU 14 -12.411 -7.664 -0.588 100 HG LEU 14 HG LEU 14 -10.967 -7.648 -2.272 101 HD11 LEU 14 HD11 LEU 14 -11.801 -8.604 -4.339 102 HD12 LEU 14 HD12 LEU 14 -13.450 -8.181 -3.870 103 HD13 LEU 14 HD13 LEU 14 -12.540 -9.365 -2.926 104 HD21 LEU 14 HD21 LEU 14 -11.320 -5.321 -2.697 105 HD22 LEU 14 HD22 LEU 14 -12.753 -5.680 -3.663 106 HD23 LEU 14 HD23 LEU 14 -11.159 -6.189 -4.227 107 H THR 15 HN THR 15 -13.762 -9.173 0.217 108 HA THR 15 HA THR 15 -15.358 -7.861 2.292 109 HB THR 15 HB THR 15 -14.998 -9.864 3.603 110 HG1 THR 15 HG1 THR 15 -13.624 -11.371 1.788 111 HG21 THR 15 HG21 THR 15 -15.908 -11.610 2.101 112 HG22 THR 15 HG22 THR 15 -15.536 -10.576 0.715 113 HG23 THR 15 HG23 THR 15 -16.734 -10.063 1.908 114 H ALA 16 HN ALA 16 -14.059 -7.609 4.447 115 HA ALA 16 HA ALA 16 -11.946 -5.875 4.065 116 HB1 ALA 16 HB1 ALA 16 -12.398 -7.662 6.459 117 HB2 ALA 16 HB2 ALA 16 -13.157 -6.094 6.179 118 HB3 ALA 16 HB3 ALA 16 -11.413 -6.199 6.431 119 H THR 17 HN THR 17 -11.887 -9.355 4.245 120 HA THR 17 HA THR 17 -9.064 -9.599 4.514 121 HB THR 17 HB THR 17 -11.169 -11.612 3.689 122 HG1 THR 17 HG1 THR 17 -10.012 -11.960 6.128 123 HG21 THR 17 HG21 THR 17 -8.323 -12.063 4.566 124 HG22 THR 17 HG22 THR 17 -8.935 -12.244 2.922 125 HG23 THR 17 HG23 THR 17 -9.513 -13.315 4.201 126 H GLU 18 HN GLU 18 -11.299 -9.782 1.706 127 HA GLU 18 HA GLU 18 -9.144 -10.292 -0.061 128 HB2 GLU 18 HB2 GLU 18 -11.957 -9.362 -0.535 129 HB3 GLU 18 HB1 GLU 18 -10.831 -9.850 -1.782 130 HG2 GLU 18 HG2 GLU 18 -10.761 -12.085 -0.861 131 HG3 GLU 18 HG1 GLU 18 -11.836 -11.587 0.439 132 H GLN 19 HN GLN 19 -10.765 -7.474 1.188 133 HA GLN 19 HA GLN 19 -9.811 -5.544 -0.625 134 HB2 GLN 19 HB2 GLN 19 -10.445 -5.313 2.309 135 HB3 GLN 19 HB1 GLN 19 -10.245 -3.956 1.214 136 HG2 GLN 19 HG2 GLN 19 -12.162 -4.645 -0.040 137 HG3 GLN 19 HG1 GLN 19 -12.326 -6.089 0.942 138 HE21 GLN 19 HE21 GLN 19 -14.305 -4.165 0.536 139 HE22 GLN 19 HE22 GLN 19 -14.666 -3.446 2.081 140 H ARG 20 HN ARG 20 -8.590 -6.770 2.453 141 HA ARG 20 HA ARG 20 -6.248 -5.234 2.507 142 HB2 ARG 20 HB2 ARG 20 -5.506 -6.674 4.215 143 HB3 ARG 20 HB1 ARG 20 -7.250 -6.547 4.379 144 HG2 ARG 20 HG2 ARG 20 -7.542 -8.596 3.203 145 HG3 ARG 20 HG1 ARG 20 -5.789 -8.751 3.057 146 HD2 ARG 20 HD2 ARG 20 -5.665 -8.672 5.569 147 HD3 ARG 20 HD1 ARG 20 -7.419 -8.809 5.578 148 HE ARG 20 HE ARG 20 -6.395 -10.884 4.017 149 HH11 ARG 20 HH11 ARG 20 -6.445 -9.873 7.371 150 HH12 ARG 20 HH12 ARG 20 -6.263 -11.484 7.987 151 HH21 ARG 20 HH21 ARG 20 -6.142 -12.998 4.833 152 HH22 ARG 20 HH22 ARG 20 -6.090 -13.258 6.545 153 H ALA 21 HN ALA 21 -7.114 -8.188 0.966 154 HA ALA 21 HA ALA 21 -4.486 -8.995 0.246 155 HB1 ALA 21 HB1 ALA 21 -5.574 -10.663 -1.136 156 HB2 ALA 21 HB2 ALA 21 -7.116 -9.824 -0.961 157 HB3 ALA 21 HB3 ALA 21 -6.352 -10.568 0.444 158 H VAL 22 HN VAL 22 -6.988 -7.165 -1.440 159 HA VAL 22 HA VAL 22 -5.726 -7.373 -3.971 160 HB VAL 22 HB VAL 22 -7.254 -5.520 -4.695 161 HG11 VAL 22 HG11 VAL 22 -7.844 -7.910 -4.849 162 HG12 VAL 22 HG12 VAL 22 -9.251 -6.870 -4.618 163 HG13 VAL 22 HG13 VAL 22 -8.608 -7.800 -3.262 164 HG21 VAL 22 HG21 VAL 22 -9.071 -4.882 -3.148 165 HG22 VAL 22 HG22 VAL 22 -7.488 -4.315 -2.613 166 HG23 VAL 22 HG23 VAL 22 -8.229 -5.720 -1.845 167 H THR 23 HN THR 23 -5.665 -4.779 -1.500 168 HA THR 23 HA THR 23 -3.683 -3.471 -3.181 169 HB THR 23 HB THR 23 -5.181 -1.953 -2.304 170 HG1 THR 23 HG1 THR 23 -2.722 -1.734 -0.941 171 HG21 THR 23 HG21 THR 23 -5.564 -1.513 0.031 172 HG22 THR 23 HG22 THR 23 -4.377 -2.738 0.466 173 HG23 THR 23 HG23 THR 23 -5.893 -3.218 -0.295 174 H ARG 24 HN ARG 24 -3.684 -5.715 -0.617 175 HA ARG 24 HA ARG 24 -1.038 -5.319 0.257 176 HB2 ARG 24 HB2 ARG 24 -2.185 -7.119 1.275 177 HB3 ARG 24 HB1 ARG 24 -2.680 -7.786 -0.271 178 HG2 ARG 24 HG2 ARG 24 -0.003 -7.935 -0.516 179 HG3 ARG 24 HG1 ARG 24 -0.181 -8.135 1.228 180 HD2 ARG 24 HD2 ARG 24 -0.196 -10.231 -0.177 181 HD3 ARG 24 HD1 ARG 24 -1.521 -10.043 0.978 182 HE ARG 24 HE ARG 24 -2.374 -9.007 -1.467 183 HH11 ARG 24 HH11 ARG 24 -1.427 -12.097 -0.135 184 HH12 ARG 24 HH12 ARG 24 -2.385 -13.014 -1.251 185 HH21 ARG 24 HH21 ARG 24 -3.648 -10.217 -2.941 186 HH22 ARG 24 HH22 ARG 24 -3.654 -11.949 -2.834 187 H LYS 25 HN LYS 25 -2.465 -6.064 -2.713 188 HA LYS 25 HA LYS 25 0.012 -6.879 -3.954 189 HB2 LYS 25 HB2 LYS 25 -1.712 -8.212 -4.645 190 HB3 LYS 25 HB1 LYS 25 -2.872 -6.891 -4.652 191 HG2 LYS 25 HG2 LYS 25 -2.385 -6.297 -6.710 192 HG3 LYS 25 HG1 LYS 25 -0.655 -6.602 -6.533 193 HD2 LYS 25 HD2 LYS 25 -0.835 -8.812 -7.045 194 HD3 LYS 25 HD1 LYS 25 -2.499 -8.905 -6.489 195 HE2 LYS 25 HE2 LYS 25 -3.208 -7.638 -8.487 196 HE3 LYS 25 HE1 LYS 25 -1.533 -7.609 -9.038 197 HZ1 LYS 25 HZ1 LYS 25 -2.761 -9.364 -10.123 198 HZ2 LYS 25 HZ2 LYS 25 -3.194 -10.037 -8.635 199 HZ3 LYS 25 HZ3 LYS 25 -1.574 -10.033 -9.121 200 H LEU 26 HN LEU 26 -2.379 -4.221 -3.818 201 HA LEU 26 HA LEU 26 -1.251 -2.737 -5.938 202 HB2 LEU 26 HB2 LEU 26 -3.537 -2.394 -5.290 203 HB3 LEU 26 HB1 LEU 26 -3.052 -1.943 -3.673 204 HG LEU 26 HG LEU 26 -3.785 -0.104 -5.303 205 HD11 LEU 26 HD11 LEU 26 -1.190 0.306 -3.884 206 HD12 LEU 26 HD12 LEU 26 -2.724 0.072 -3.044 207 HD13 LEU 26 HD13 LEU 26 -2.508 1.462 -4.118 208 HD21 LEU 26 HD21 LEU 26 -2.401 -0.767 -7.183 209 HD22 LEU 26 HD22 LEU 26 -0.956 -0.469 -6.220 210 HD23 LEU 26 HD23 LEU 26 -2.025 0.872 -6.647 211 H VAL 27 HN VAL 27 -0.956 -2.294 -2.369 212 HA VAL 27 HA VAL 27 0.873 -0.190 -2.496 213 HB VAL 27 HB VAL 27 -0.070 -0.731 -0.337 214 HG11 VAL 27 HG11 VAL 27 0.727 -2.768 0.892 215 HG12 VAL 27 HG12 VAL 27 1.350 -3.358 -0.653 216 HG13 VAL 27 HG13 VAL 27 -0.377 -3.075 -0.450 217 HG21 VAL 27 HG21 VAL 27 2.153 0.311 -0.347 218 HG22 VAL 27 HG22 VAL 27 2.897 -1.293 -0.322 219 HG23 VAL 27 HG23 VAL 27 1.934 -0.743 1.052 220 H LEU 28 HN LEU 28 1.231 -3.592 -2.659 221 HA LEU 28 HA LEU 28 3.999 -3.879 -2.733 222 HB2 LEU 28 HB2 LEU 28 1.865 -5.521 -2.756 223 HB3 LEU 28 HB1 LEU 28 2.310 -5.600 -4.444 224 HG LEU 28 HG LEU 28 4.434 -6.558 -3.919 225 HD11 LEU 28 HD11 LEU 28 5.050 -6.979 -1.550 226 HD12 LEU 28 HD12 LEU 28 3.701 -5.939 -1.072 227 HD13 LEU 28 HD13 LEU 28 5.042 -5.277 -2.007 228 HD21 LEU 28 HD21 LEU 28 2.617 -8.130 -3.952 229 HD22 LEU 28 HD22 LEU 28 2.186 -7.732 -2.286 230 HD23 LEU 28 HD23 LEU 28 3.707 -8.569 -2.633 231 H ASP 29 HN ASP 29 1.628 -3.473 -5.297 232 HA ASP 29 HA ASP 29 3.401 -3.658 -7.488 233 HB2 ASP 29 HB2 ASP 29 0.906 -3.871 -7.587 234 HB3 ASP 29 HB1 ASP 29 0.801 -2.139 -7.335 235 H GLN 30 HN GLN 30 2.059 -0.941 -5.694 236 HA GLN 30 HA GLN 30 3.250 1.116 -7.146 237 HB2 GLN 30 HB2 GLN 30 2.597 1.017 -4.224 238 HB3 GLN 30 HB1 GLN 30 2.802 2.469 -5.192 239 HG2 GLN 30 HG2 GLN 30 0.611 0.422 -5.447 240 HG3 GLN 30 HG1 GLN 30 0.486 2.076 -4.865 241 HE21 GLN 30 HE21 GLN 30 0.852 0.034 -7.638 242 HE22 GLN 30 HE22 GLN 30 0.526 1.244 -8.834 243 H ALA 31 HN ALA 31 4.293 -0.602 -4.269 244 HA ALA 31 HA ALA 31 6.687 0.809 -3.790 245 HB1 ALA 31 HB1 ALA 31 6.064 -2.088 -3.210 246 HB2 ALA 31 HB2 ALA 31 5.574 -0.726 -2.194 247 HB3 ALA 31 HB3 ALA 31 7.289 -1.092 -2.411 248 H ALA 32 HN ALA 32 5.788 -1.753 -5.881 249 HA ALA 32 HA ALA 32 8.368 -2.560 -6.697 250 HB1 ALA 32 HB1 ALA 32 6.742 -4.126 -7.152 251 HB2 ALA 32 HB2 ALA 32 6.862 -3.346 -8.734 252 HB3 ALA 32 HB3 ALA 32 5.542 -2.912 -7.633 253 H SER 33 HN SER 33 5.962 -0.295 -7.956 254 HA SER 33 HA SER 33 7.303 0.520 -10.273 255 HB2 SER 33 HB2 SER 33 5.037 1.162 -10.042 256 HB3 SER 33 HB1 SER 33 5.305 1.832 -8.434 257 HG SER 33 HG SER 33 5.753 2.954 -10.939 258 H VAL 34 HN VAL 34 7.494 1.588 -6.949 259 HA VAL 34 HA VAL 34 9.164 3.816 -7.263 260 HB VAL 34 HB VAL 34 9.154 1.951 -4.910 261 HG11 VAL 34 HG11 VAL 34 9.523 4.063 -3.657 262 HG12 VAL 34 HG12 VAL 34 9.658 4.902 -5.203 263 HG13 VAL 34 HG13 VAL 34 10.827 3.655 -4.772 264 HG21 VAL 34 HG21 VAL 34 6.883 2.403 -5.513 265 HG22 VAL 34 HG22 VAL 34 7.200 4.140 -5.524 266 HG23 VAL 34 HG23 VAL 34 7.306 3.227 -4.021 267 H LEU 35 HN LEU 35 9.811 0.554 -6.171 268 HA LEU 35 HA LEU 35 12.535 0.940 -5.771 269 HB2 LEU 35 HB2 LEU 35 10.550 -1.141 -5.608 270 HB3 LEU 35 HB1 LEU 35 12.151 -1.762 -5.978 271 HG LEU 35 HG LEU 35 12.937 -1.293 -3.881 272 HD11 LEU 35 HD11 LEU 35 10.975 1.001 -3.731 273 HD12 LEU 35 HD12 LEU 35 12.723 1.121 -3.949 274 HD13 LEU 35 HD13 LEU 35 12.066 0.523 -2.427 275 HD21 LEU 35 HD21 LEU 35 11.218 -2.767 -3.417 276 HD22 LEU 35 HD22 LEU 35 9.973 -1.558 -3.739 277 HD23 LEU 35 HD23 LEU 35 10.950 -1.456 -2.266 278 H GLY 36 HN GLY 36 10.793 -0.260 -8.591 279 HA2 GLY 36 HA2 GLY 36 12.251 0.135 -10.659 280 HA3 GLY 36 HA1 GLY 36 13.404 -0.866 -9.791 281 H TYR 37 HN TYR 37 10.164 -1.717 -9.369 282 HA TYR 37 HA TYR 37 10.765 -4.216 -10.780 283 HB2 TYR 37 HB2 TYR 37 8.676 -3.717 -8.668 284 HB3 TYR 37 HB1 TYR 37 9.274 -5.265 -9.228 285 HD1 TYR 37 HD1 TYR 37 9.102 -4.252 -6.388 286 HD2 TYR 37 HD2 TYR 37 12.262 -4.200 -9.216 287 HE1 TYR 37 HE1 TYR 37 10.718 -4.266 -4.566 288 HE2 TYR 37 HE2 TYR 37 13.907 -4.192 -7.404 289 HH TYR 37 HH TYR 37 13.057 -4.839 -4.147 290 H ALA 38 HN ALA 38 8.896 -5.379 -11.685 291 HA ALA 38 HA ALA 38 6.833 -3.547 -12.718 292 HB1 ALA 38 HB1 ALA 38 7.030 -4.519 -14.921 293 HB2 ALA 38 HB2 ALA 38 8.285 -5.619 -14.351 294 HB3 ALA 38 HB3 ALA 38 8.593 -3.883 -14.408 295 H SER 39 HN SER 39 7.503 -6.371 -11.078 296 HA SER 39 HA SER 39 4.764 -7.288 -11.404 297 HB2 SER 39 HB2 SER 39 7.155 -9.049 -11.993 298 HB3 SER 39 HB1 SER 39 5.503 -9.639 -11.806 299 HG SER 39 HG SER 39 5.638 -7.581 -13.574 300 H THR 40 HN THR 40 6.364 -6.045 -9.315 301 HA THR 40 HA THR 40 7.099 -6.246 -7.167 302 HB THR 40 HB THR 40 5.569 -7.490 -5.652 303 HG1 THR 40 HG1 THR 40 4.923 -8.772 -7.945 304 HG21 THR 40 HG21 THR 40 5.023 -5.218 -6.235 305 HG22 THR 40 HG22 THR 40 3.535 -6.171 -6.227 306 HG23 THR 40 HG23 THR 40 4.301 -5.744 -7.758 307 H GLU 41 HN GLU 41 8.572 -7.765 -8.890 308 HA GLU 41 HA GLU 41 8.705 -10.502 -8.418 309 HB2 GLU 41 HB2 GLU 41 11.001 -10.310 -9.457 310 HB3 GLU 41 HB1 GLU 41 9.666 -9.666 -10.398 311 HG2 GLU 41 HG2 GLU 41 11.124 -7.779 -8.644 312 HG3 GLU 41 HG1 GLU 41 11.954 -8.366 -10.084 313 H SER 42 HN SER 42 10.507 -7.892 -6.800 314 HA SER 42 HA SER 42 11.630 -9.969 -5.050 315 HB2 SER 42 HB2 SER 42 12.994 -7.418 -5.929 316 HB3 SER 42 HB1 SER 42 13.681 -8.647 -4.864 317 HG SER 42 HG SER 42 12.929 -9.980 -6.946 318 H LEU 43 HN LEU 43 9.214 -8.563 -4.573 319 HA LEU 43 HA LEU 43 9.915 -6.877 -2.291 320 HB2 LEU 43 HB2 LEU 43 7.349 -7.384 -3.765 321 HB3 LEU 43 HB1 LEU 43 7.417 -6.477 -2.263 322 HG LEU 43 HG LEU 43 8.993 -5.717 -4.713 323 HD11 LEU 43 HD11 LEU 43 6.333 -4.687 -3.769 324 HD12 LEU 43 HD12 LEU 43 6.635 -5.625 -5.231 325 HD13 LEU 43 HD13 LEU 43 7.304 -3.999 -5.071 326 HD21 LEU 43 HD21 LEU 43 8.284 -4.287 -2.166 327 HD22 LEU 43 HD22 LEU 43 9.107 -3.555 -3.541 328 HD23 LEU 43 HD23 LEU 43 9.880 -4.863 -2.644 329 H ASP 44 HN ASP 44 8.264 -7.131 -0.441 330 HA ASP 44 HA ASP 44 7.343 -9.853 -0.010 331 HB2 ASP 44 HB2 ASP 44 9.757 -9.398 1.018 332 HB3 ASP 44 HB1 ASP 44 8.822 -8.564 2.245 333 H THR 45 HN THR 45 5.582 -9.904 1.361 334 HA THR 45 HA THR 45 4.537 -7.288 2.159 335 HB THR 45 HB THR 45 2.423 -8.633 2.609 336 HG1 THR 45 HG1 THR 45 3.590 -10.563 0.890 337 HG21 THR 45 HG21 THR 45 2.603 -7.227 0.674 338 HG22 THR 45 HG22 THR 45 1.834 -8.743 0.208 339 HG23 THR 45 HG23 THR 45 3.528 -8.457 -0.186 340 H HIS 46 HN HIS 46 6.198 -9.916 3.367 341 HA HIS 46 HA HIS 46 5.126 -9.594 6.084 342 HB2 HIS 46 HB2 HIS 46 6.988 -11.700 4.960 343 HB3 HIS 46 HB1 HIS 46 6.383 -11.656 6.606 344 HD1 HIS 46 HD1 HIS 46 4.552 -13.275 6.941 345 HD2 HIS 46 HD2 HIS 46 4.574 -11.725 3.091 346 HE1 HIS 46 HE1 HIS 46 2.652 -14.411 5.745 347 HE2 HIS 46 HE2 HIS 46 2.614 -13.372 3.453 348 H GLU 47 HN GLU 47 7.420 -8.256 4.190 349 HA GLU 47 HA GLU 47 9.233 -7.825 6.453 350 HB2 GLU 47 HB2 GLU 47 11.042 -8.328 5.234 351 HB3 GLU 47 HB1 GLU 47 9.925 -9.103 4.127 352 HG2 GLU 47 HG2 GLU 47 9.811 -6.956 2.852 353 HG3 GLU 47 HG1 GLU 47 11.088 -6.338 3.909 354 H SER 48 HN SER 48 10.199 -5.720 6.524 355 HA SER 48 HA SER 48 8.083 -3.825 5.991 356 HB2 SER 48 HB2 SER 48 10.651 -3.158 7.402 357 HB3 SER 48 HB1 SER 48 9.029 -2.522 7.665 358 HG SER 48 HG SER 48 9.845 -5.177 8.253 359 H PHE 49 HN PHE 49 8.302 -1.900 4.920 360 HA PHE 49 HA PHE 49 9.666 -1.822 2.523 361 HB2 PHE 49 HB2 PHE 49 8.687 0.510 4.147 362 HB3 PHE 49 HB1 PHE 49 9.143 0.585 2.452 363 HD1 PHE 49 HD1 PHE 49 7.732 -0.255 0.754 364 HD2 PHE 49 HD2 PHE 49 6.659 -0.656 4.843 365 HE1 PHE 49 HE1 PHE 49 5.464 -0.892 0.092 366 HE2 PHE 49 HE2 PHE 49 4.377 -1.296 4.186 367 HZ PHE 49 HZ PHE 49 3.736 -1.308 1.877 368 H LYS 50 HN LYS 50 10.684 -0.716 5.636 369 HA LYS 50 HA LYS 50 13.002 0.591 5.228 370 HB2 LYS 50 HB2 LYS 50 12.031 -0.245 7.385 371 HB3 LYS 50 HB1 LYS 50 12.691 -1.821 7.006 372 HG2 LYS 50 HG2 LYS 50 14.082 -0.631 8.584 373 HG3 LYS 50 HG1 LYS 50 14.936 -0.944 7.076 374 HD2 LYS 50 HD2 LYS 50 15.407 1.304 7.873 375 HD3 LYS 50 HD1 LYS 50 14.500 1.360 6.362 376 HE2 LYS 50 HE2 LYS 50 12.462 1.847 7.549 377 HE3 LYS 50 HE1 LYS 50 13.272 1.636 9.100 378 HZ1 LYS 50 HZ1 LYS 50 14.625 3.552 8.645 379 HZ2 LYS 50 HZ2 LYS 50 13.001 3.976 8.477 380 HZ3 LYS 50 HZ3 LYS 50 13.955 3.726 7.105 381 H ASP 51 HN ASP 51 12.639 -2.907 5.170 382 HA ASP 51 HA ASP 51 15.267 -3.432 4.236 383 HB2 ASP 51 HB2 ASP 51 13.780 -5.043 5.487 384 HB3 ASP 51 HB1 ASP 51 12.905 -5.273 3.978 385 H LEU 52 HN LEU 52 12.239 -2.799 2.678 386 HA LEU 52 HA LEU 52 12.888 -3.767 0.093 387 HB2 LEU 52 HB2 LEU 52 10.823 -1.898 1.178 388 HB3 LEU 52 HB1 LEU 52 11.007 -2.089 -0.538 389 HG LEU 52 HG LEU 52 10.465 -4.478 -0.353 390 HD11 LEU 52 HD11 LEU 52 9.582 -5.326 1.781 391 HD12 LEU 52 HD12 LEU 52 10.139 -3.847 2.563 392 HD13 LEU 52 HD13 LEU 52 11.306 -4.957 1.839 393 HD21 LEU 52 HD21 LEU 52 8.497 -2.647 0.991 394 HD22 LEU 52 HD22 LEU 52 8.125 -4.254 0.368 395 HD23 LEU 52 HD23 LEU 52 8.629 -2.971 -0.739 396 H GLY 53 HN GLY 53 13.752 -1.033 1.891 397 HA2 GLY 53 HA2 GLY 53 15.691 0.153 1.221 398 HA3 GLY 53 HA1 GLY 53 15.198 -0.023 -0.450 399 H PHE 54 HN PHE 54 12.596 0.816 1.606 400 HA PHE 54 HA PHE 54 12.467 3.371 0.357 401 HB2 PHE 54 HB2 PHE 54 10.719 2.046 2.434 402 HB3 PHE 54 HB1 PHE 54 10.412 3.650 1.775 403 HD1 PHE 54 HD1 PHE 54 9.633 3.951 -0.466 404 HD2 PHE 54 HD2 PHE 54 10.573 0.091 1.027 405 HE1 PHE 54 HE1 PHE 54 8.458 2.944 -2.364 406 HE2 PHE 54 HE2 PHE 54 9.415 -0.938 -0.863 407 HZ PHE 54 HZ PHE 54 8.478 0.539 -2.691 408 H ASP 55 HN ASP 55 12.169 5.381 1.477 409 HA ASP 55 HA ASP 55 13.390 5.811 4.029 410 HB2 ASP 55 HB2 ASP 55 15.322 5.343 2.360 411 HB3 ASP 55 HB1 ASP 55 14.901 6.902 1.655 412 H SER 56 HN SER 56 14.162 8.538 3.539 413 HA SER 56 HA SER 56 11.531 9.711 3.303 414 HB2 SER 56 HB2 SER 56 14.213 11.062 3.686 415 HB3 SER 56 HB1 SER 56 12.632 11.806 3.916 416 HG SER 56 HG SER 56 13.467 9.500 5.339 417 H LEU 57 HN LEU 57 12.360 8.469 0.990 418 HA LEU 57 HA LEU 57 12.330 10.613 -0.969 419 HB2 LEU 57 HB2 LEU 57 14.086 8.185 -1.118 420 HB3 LEU 57 HB1 LEU 57 14.005 9.469 -2.305 421 HG LEU 57 HG LEU 57 14.931 9.868 0.528 422 HD11 LEU 57 HD11 LEU 57 16.578 9.404 -1.955 423 HD12 LEU 57 HD12 LEU 57 16.409 8.293 -0.595 424 HD13 LEU 57 HD13 LEU 57 17.208 9.850 -0.369 425 HD21 LEU 57 HD21 LEU 57 14.144 11.879 -0.560 426 HD22 LEU 57 HD22 LEU 57 15.167 11.556 -1.960 427 HD23 LEU 57 HD23 LEU 57 15.900 11.932 -0.400 428 H THR 58 HN THR 58 12.652 7.098 -0.933 429 HA THR 58 HA THR 58 10.880 6.718 -3.098 430 HB THR 58 HB THR 58 11.088 4.253 -2.257 431 HG1 THR 58 HG1 THR 58 13.308 4.367 -1.047 432 HG21 THR 58 HG21 THR 58 12.263 5.179 -4.203 433 HG22 THR 58 HG22 THR 58 13.287 4.066 -3.296 434 HG23 THR 58 HG23 THR 58 13.520 5.807 -3.139 435 H ALA 59 HN ALA 59 10.551 6.282 0.396 436 HA ALA 59 HA ALA 59 8.016 5.165 0.462 437 HB1 ALA 59 HB1 ALA 59 9.508 5.488 2.437 438 HB2 ALA 59 HB2 ALA 59 7.846 6.012 2.721 439 HB3 ALA 59 HB3 ALA 59 9.109 7.206 2.410 440 H LEU 60 HN LEU 60 9.089 8.430 -0.036 441 HA LEU 60 HA LEU 60 6.626 9.730 0.328 442 HB2 LEU 60 HB2 LEU 60 9.136 10.479 -1.153 443 HB3 LEU 60 HB1 LEU 60 7.753 11.554 -1.048 444 HG LEU 60 HG LEU 60 9.528 12.098 0.599 445 HD11 LEU 60 HD11 LEU 60 8.087 12.298 2.527 446 HD12 LEU 60 HD12 LEU 60 6.973 11.119 1.837 447 HD13 LEU 60 HD13 LEU 60 7.202 12.682 1.051 448 HD21 LEU 60 HD21 LEU 60 8.801 9.434 1.796 449 HD22 LEU 60 HD22 LEU 60 9.824 10.657 2.552 450 HD23 LEU 60 HD23 LEU 60 10.352 9.859 1.069 451 H GLU 61 HN GLU 61 8.283 8.590 -2.620 452 HA GLU 61 HA GLU 61 6.072 9.365 -4.267 453 HB2 GLU 61 HB2 GLU 61 7.250 7.814 -5.967 454 HB3 GLU 61 HB1 GLU 61 8.039 9.316 -5.489 455 HG2 GLU 61 HG2 GLU 61 9.420 8.051 -3.903 456 HG3 GLU 61 HG1 GLU 61 8.645 6.566 -4.443 457 H LEU 62 HN LEU 62 6.995 6.436 -2.579 458 HA LEU 62 HA LEU 62 5.031 4.739 -3.736 459 HB2 LEU 62 HB2 LEU 62 6.792 3.802 -2.382 460 HB3 LEU 62 HB1 LEU 62 6.263 4.728 -0.994 461 HG LEU 62 HG LEU 62 4.160 3.482 -0.937 462 HD11 LEU 62 HD11 LEU 62 3.886 3.003 -3.259 463 HD12 LEU 62 HD12 LEU 62 3.921 1.486 -2.356 464 HD13 LEU 62 HD13 LEU 62 5.338 2.004 -3.267 465 HD21 LEU 62 HD21 LEU 62 5.042 1.440 -0.109 466 HD22 LEU 62 HD22 LEU 62 6.195 2.725 0.266 467 HD23 LEU 62 HD23 LEU 62 6.507 1.620 -1.073 468 H ARG 63 HN ARG 63 5.057 6.710 -0.816 469 HA ARG 63 HA ARG 63 2.467 6.305 0.090 470 HB2 ARG 63 HB2 ARG 63 3.925 7.546 1.466 471 HB3 ARG 63 HB1 ARG 63 4.406 8.610 0.152 472 HG2 ARG 63 HG2 ARG 63 1.905 9.355 0.219 473 HG3 ARG 63 HG1 ARG 63 1.972 8.702 1.859 474 HD2 ARG 63 HD2 ARG 63 2.485 11.076 1.874 475 HD3 ARG 63 HD1 ARG 63 3.896 10.132 2.338 476 HE ARG 63 HE ARG 63 4.446 10.445 -0.203 477 HH11 ARG 63 HH11 ARG 63 3.131 12.789 2.039 478 HH12 ARG 63 HH12 ARG 63 3.757 14.157 1.177 479 HH21 ARG 63 HH21 ARG 63 5.255 12.265 -1.361 480 HH22 ARG 63 HH22 ARG 63 4.953 13.861 -0.752 481 H ASP 64 HN ASP 64 3.841 8.610 -2.169 482 HA ASP 64 HA ASP 64 1.594 9.968 -3.005 483 HB2 ASP 64 HB2 ASP 64 4.099 10.316 -3.526 484 HB3 ASP 64 HB1 ASP 64 3.819 9.205 -4.856 485 H HIS 65 HN HIS 65 2.999 6.941 -4.158 486 HA HIS 65 HA HIS 65 1.259 6.454 -6.296 487 HB2 HIS 65 HB2 HIS 65 2.814 4.597 -4.537 488 HB3 HIS 65 HB1 HIS 65 1.912 4.054 -5.932 489 HD1 HIS 65 HD1 HIS 65 2.939 6.714 -7.623 490 HD2 HIS 65 HD2 HIS 65 5.156 3.813 -5.681 491 HE1 HIS 65 HE1 HIS 65 5.226 6.753 -8.692 492 HE2 HIS 65 HE2 HIS 65 6.457 4.844 -7.656 493 H LEU 66 HN LEU 66 1.052 5.494 -2.858 494 HA LEU 66 HA LEU 66 -1.149 3.759 -3.220 495 HB2 LEU 66 HB2 LEU 66 0.068 5.162 -0.894 496 HB3 LEU 66 HB1 LEU 66 -1.465 4.348 -0.690 497 HG LEU 66 HG LEU 66 -0.537 2.234 -0.926 498 HD11 LEU 66 HD11 LEU 66 1.869 3.489 -2.235 499 HD12 LEU 66 HD12 LEU 66 0.590 2.593 -3.055 500 HD13 LEU 66 HD13 LEU 66 1.648 1.770 -1.910 501 HD21 LEU 66 HD21 LEU 66 1.615 3.968 0.251 502 HD22 LEU 66 HD22 LEU 66 1.514 2.215 0.437 503 HD23 LEU 66 HD23 LEU 66 0.249 3.250 1.104 504 H GLN 67 HN GLN 67 -0.927 7.162 -2.416 505 HA GLN 67 HA GLN 67 -3.718 7.521 -1.897 506 HB2 GLN 67 HB2 GLN 67 -1.894 9.705 -2.825 507 HB3 GLN 67 HB1 GLN 67 -3.239 9.804 -1.698 508 HG2 GLN 67 HG2 GLN 67 -2.026 8.900 0.029 509 HG3 GLN 67 HG1 GLN 67 -0.885 8.128 -1.074 510 HE21 GLN 67 HE21 GLN 67 -0.377 10.385 -2.685 511 HE22 GLN 67 HE22 GLN 67 0.567 11.484 -1.758 512 H THR 68 HN THR 68 -1.643 7.770 -4.699 513 HA THR 68 HA THR 68 -3.558 8.802 -6.474 514 HB THR 68 HB THR 68 -0.904 7.480 -6.584 515 HG1 THR 68 HG1 THR 68 -0.900 9.679 -6.341 516 HG21 THR 68 HG21 THR 68 -2.083 6.397 -8.416 517 HG22 THR 68 HG22 THR 68 -0.863 7.512 -9.024 518 HG23 THR 68 HG23 THR 68 -2.568 7.968 -9.054 519 H ALA 69 HN ALA 69 -2.326 5.623 -5.786 520 HA ALA 69 HA ALA 69 -3.902 4.071 -7.429 521 HB1 ALA 69 HB1 ALA 69 -1.947 3.259 -6.289 522 HB2 ALA 69 HB2 ALA 69 -3.341 2.248 -5.898 523 HB3 ALA 69 HB3 ALA 69 -2.755 3.439 -4.735 524 H THR 70 HN THR 70 -4.492 4.970 -4.029 525 HA THR 70 HA THR 70 -7.009 3.510 -4.074 526 HB THR 70 HB THR 70 -7.128 4.005 -1.679 527 HG1 THR 70 HG1 THR 70 -4.618 5.306 -1.832 528 HG21 THR 70 HG21 THR 70 -5.720 2.130 -2.478 529 HG22 THR 70 HG22 THR 70 -5.141 2.828 -0.965 530 HG23 THR 70 HG23 THR 70 -4.330 3.219 -2.481 531 H GLY 71 HN GLY 71 -5.826 6.773 -3.968 532 HA2 GLY 71 HA2 GLY 71 -6.979 8.715 -4.565 533 HA3 GLY 71 HA1 GLY 71 -8.487 7.810 -4.523 534 H LEU 72 HN LEU 72 -6.517 7.269 -1.864 535 HA LEU 72 HA LEU 72 -8.260 8.885 -0.149 536 HB2 LEU 72 HB2 LEU 72 -6.545 6.450 0.266 537 HB3 LEU 72 HB1 LEU 72 -7.086 7.396 1.631 538 HG LEU 72 HG LEU 72 -8.466 5.388 1.220 539 HD11 LEU 72 HD11 LEU 72 -10.656 6.502 1.325 540 HD12 LEU 72 HD12 LEU 72 -9.876 8.024 0.888 541 HD13 LEU 72 HD13 LEU 72 -9.460 7.217 2.400 542 HD21 LEU 72 HD21 LEU 72 -8.318 5.345 -1.224 543 HD22 LEU 72 HD22 LEU 72 -9.336 6.779 -1.298 544 HD23 LEU 72 HD23 LEU 72 -9.982 5.271 -0.649 545 H ASN 73 HN ASN 73 -6.614 9.035 2.086 546 HA ASN 73 HA ASN 73 -4.399 10.725 1.134 547 HB2 ASN 73 HB2 ASN 73 -6.475 11.996 1.940 548 HB3 ASN 73 HB1 ASN 73 -6.084 11.398 3.547 549 HD21 ASN 73 HD21 ASN 73 -3.171 11.607 3.109 550 HD22 ASN 73 HD22 ASN 73 -2.809 13.295 3.160 551 H LEU 74 HN LEU 74 -2.760 9.390 1.627 552 HA LEU 74 HA LEU 74 -2.717 8.040 4.184 553 HB2 LEU 74 HB2 LEU 74 -0.983 7.830 1.735 554 HB3 LEU 74 HB1 LEU 74 -0.646 6.965 3.232 555 HG LEU 74 HG LEU 74 -3.095 6.082 2.927 556 HD11 LEU 74 HD11 LEU 74 -3.612 7.532 0.992 557 HD12 LEU 74 HD12 LEU 74 -3.788 5.816 0.628 558 HD13 LEU 74 HD13 LEU 74 -2.363 6.699 0.065 559 HD21 LEU 74 HD21 LEU 74 -2.153 4.254 1.473 560 HD22 LEU 74 HD22 LEU 74 -1.291 4.595 2.971 561 HD23 LEU 74 HD23 LEU 74 -0.657 5.185 1.433 562 H SER 75 HN SER 75 0.319 8.028 4.269 563 HA SER 75 HA SER 75 0.560 10.741 5.384 564 HB2 SER 75 HB2 SER 75 -0.196 9.170 7.157 565 HB3 SER 75 HB1 SER 75 1.260 8.211 6.893 566 HG SER 75 HG SER 75 0.974 10.759 8.038 567 H SER 76 HN SER 76 2.851 11.248 6.085 568 HA SER 76 HA SER 76 4.582 10.813 3.889 569 HB2 SER 76 HB2 SER 76 4.552 12.851 5.353 570 HB3 SER 76 HB1 SER 76 5.326 11.894 6.612 571 HG SER 76 HG SER 76 6.382 12.989 4.321 572 H THR 77 HN THR 77 4.562 9.550 7.192 573 HA THR 77 HA THR 77 6.801 7.760 6.532 574 HB THR 77 HB THR 77 6.781 7.357 9.062 575 HG1 THR 77 HG1 THR 77 5.420 8.492 10.243 576 HG21 THR 77 HG21 THR 77 8.031 9.421 9.504 577 HG22 THR 77 HG22 THR 77 7.383 10.126 8.023 578 HG23 THR 77 HG23 THR 77 8.459 8.731 7.939 579 H LEU 78 HN LEU 78 4.229 7.480 5.565 580 HA LEU 78 HA LEU 78 2.346 5.931 6.770 581 HB2 LEU 78 HB2 LEU 78 2.274 7.058 4.578 582 HB3 LEU 78 HB1 LEU 78 3.339 5.843 3.933 583 HG LEU 78 HG LEU 78 0.737 5.820 3.531 584 HD11 LEU 78 HD11 LEU 78 2.512 3.442 3.930 585 HD12 LEU 78 HD12 LEU 78 2.169 4.320 2.428 586 HD13 LEU 78 HD13 LEU 78 0.905 3.359 3.205 587 HD21 LEU 78 HD21 LEU 78 -0.292 4.119 5.041 588 HD22 LEU 78 HD22 LEU 78 -0.008 5.699 5.764 589 HD23 LEU 78 HD23 LEU 78 1.077 4.354 6.130 590 H ILE 79 HN ILE 79 4.889 4.633 4.657 591 HA ILE 79 HA ILE 79 4.320 1.925 5.416 592 HB ILE 79 HB ILE 79 6.138 1.341 3.923 593 HG12 ILE 79 HG12 ILE 79 6.731 4.284 4.015 594 HG13 ILE 79 HG11 ILE 79 7.814 2.949 4.392 595 HG21 ILE 79 HG21 ILE 79 4.439 3.584 2.862 596 HG22 ILE 79 HG22 ILE 79 4.038 1.862 2.873 597 HG23 ILE 79 HG23 ILE 79 5.372 2.454 1.881 598 HD11 ILE 79 HD11 ILE 79 8.472 3.778 2.301 599 HD12 ILE 79 HD12 ILE 79 6.807 3.850 1.726 600 HD13 ILE 79 HD13 ILE 79 7.593 2.283 1.968 601 H PHE 80 HN PHE 80 5.745 4.107 7.243 602 HA PHE 80 HA PHE 80 7.737 2.218 8.281 603 HB2 PHE 80 HB2 PHE 80 7.592 5.221 8.391 604 HB3 PHE 80 HB1 PHE 80 8.706 4.275 9.359 605 HD1 PHE 80 HD1 PHE 80 9.072 6.372 6.968 606 HD2 PHE 80 HD2 PHE 80 9.344 2.143 7.325 607 HE1 PHE 80 HE1 PHE 80 10.555 6.302 5.011 608 HE2 PHE 80 HE2 PHE 80 10.826 2.046 5.366 609 HZ PHE 80 HZ PHE 80 11.445 4.143 4.211 610 H ASP 81 HN ASP 81 4.926 3.995 8.811 611 HA ASP 81 HA ASP 81 4.807 3.501 11.647 612 HB2 ASP 81 HB2 ASP 81 3.701 5.446 10.477 613 HB3 ASP 81 HB1 ASP 81 2.639 4.297 9.727 614 H HIS 82 HN HIS 82 3.633 2.333 8.634 615 HA HIS 82 HA HIS 82 2.613 -0.119 9.866 616 HB2 HIS 82 HB2 HIS 82 1.841 0.955 7.147 617 HB3 HIS 82 HB1 HIS 82 1.010 -0.254 8.111 618 HD1 HIS 82 HD1 HIS 82 -0.504 0.583 10.043 619 HD2 HIS 82 HD2 HIS 82 1.393 3.621 7.931 620 HE1 HIS 82 HE1 HIS 82 -1.550 2.727 10.833 621 HE2 HIS 82 HE2 HIS 82 -0.236 4.536 9.703 622 HA PRO 83 HA PRO 83 6.629 -0.950 8.397 623 HB2 PRO 83 HB2 PRO 83 6.727 -3.614 9.050 624 HB3 PRO 83 HB1 PRO 83 6.921 -2.298 10.213 625 HG2 PRO 83 HG2 PRO 83 4.475 -3.912 9.568 626 HG3 PRO 83 HG1 PRO 83 5.105 -3.417 11.154 627 HD2 PRO 83 HD2 PRO 83 3.071 -2.109 9.992 628 HD3 PRO 83 HD1 PRO 83 4.299 -1.249 10.928 629 H THR 84 HN THR 84 4.067 -3.181 7.365 630 HA THR 84 HA THR 84 5.749 -3.843 5.065 631 HB THR 84 HB THR 84 4.668 -6.042 5.051 632 HG1 THR 84 HG1 THR 84 3.654 -6.222 7.464 633 HG21 THR 84 HG21 THR 84 6.786 -5.730 6.276 634 HG22 THR 84 HG22 THR 84 5.773 -6.968 7.019 635 HG23 THR 84 HG23 THR 84 5.875 -5.359 7.740 636 HA PRO 85 HA PRO 85 2.463 -2.649 2.328 637 HB2 PRO 85 HB2 PRO 85 2.819 -5.282 1.015 638 HB3 PRO 85 HB1 PRO 85 2.930 -3.667 0.319 639 HG2 PRO 85 HG2 PRO 85 5.107 -5.173 0.755 640 HG3 PRO 85 HG1 PRO 85 5.131 -3.408 0.920 641 HD2 PRO 85 HD2 PRO 85 5.093 -5.501 3.029 642 HD3 PRO 85 HD1 PRO 85 5.865 -3.910 3.032 643 H HIS 86 HN HIS 86 2.607 -5.517 4.101 644 HA HIS 86 HA HIS 86 -0.109 -6.387 3.745 645 HB2 HIS 86 HB2 HIS 86 1.212 -8.106 4.534 646 HB3 HIS 86 HB1 HIS 86 2.202 -7.045 5.502 647 HD1 HIS 86 HD1 HIS 86 -0.527 -9.449 5.743 648 HD2 HIS 86 HD2 HIS 86 0.939 -6.292 8.016 649 HE1 HIS 86 HE1 HIS 86 -1.465 -9.789 8.052 650 HE2 HIS 86 HE2 HIS 86 -0.740 -7.750 9.338 651 H ALA 87 HN ALA 87 1.710 -4.561 6.153 652 HA ALA 87 HA ALA 87 -0.512 -4.050 7.871 653 HB1 ALA 87 HB1 ALA 87 1.005 -2.605 9.085 654 HB2 ALA 87 HB2 ALA 87 2.133 -2.609 7.730 655 HB3 ALA 87 HB3 ALA 87 1.848 -4.091 8.645 656 H VAL 88 HN VAL 88 0.840 -2.643 5.121 657 HA VAL 88 HA VAL 88 -0.340 -0.035 5.513 658 HB VAL 88 HB VAL 88 1.186 -1.279 3.249 659 HG11 VAL 88 HG11 VAL 88 1.255 0.979 2.262 660 HG12 VAL 88 HG12 VAL 88 0.097 1.509 3.483 661 HG13 VAL 88 HG13 VAL 88 -0.363 0.279 2.305 662 HG21 VAL 88 HG21 VAL 88 1.924 0.842 5.259 663 HG22 VAL 88 HG22 VAL 88 2.928 0.340 3.898 664 HG23 VAL 88 HG23 VAL 88 2.547 -0.811 5.180 665 H ALA 89 HN ALA 89 -0.799 -2.836 3.403 666 HA ALA 89 HA ALA 89 -2.913 -1.753 1.919 667 HB1 ALA 89 HB1 ALA 89 -2.389 -4.639 2.604 668 HB2 ALA 89 HB2 ALA 89 -1.774 -3.756 1.205 669 HB3 ALA 89 HB3 ALA 89 -3.504 -4.060 1.361 670 H GLU 90 HN GLU 90 -2.918 -3.567 5.021 671 HA GLU 90 HA GLU 90 -5.785 -3.526 5.143 672 HB2 GLU 90 HB2 GLU 90 -5.415 -4.151 7.553 673 HB3 GLU 90 HB1 GLU 90 -4.692 -5.238 6.375 674 HG2 GLU 90 HG2 GLU 90 -2.533 -4.225 6.727 675 HG3 GLU 90 HG1 GLU 90 -3.229 -3.085 7.873 676 H HIS 91 HN HIS 91 -3.215 -1.413 6.029 677 HA HIS 91 HA HIS 91 -4.686 0.406 7.581 678 HB2 HIS 91 HB2 HIS 91 -2.334 0.582 7.704 679 HB3 HIS 91 HB1 HIS 91 -2.166 0.648 5.950 680 HD1 HIS 91 HD1 HIS 91 -3.371 2.779 8.854 681 HD2 HIS 91 HD2 HIS 91 -2.199 3.129 4.881 682 HE1 HIS 91 HE1 HIS 91 -3.242 5.249 8.408 683 HE2 HIS 91 HE2 HIS 91 -2.515 5.453 6.006 684 H LEU 92 HN LEU 92 -4.510 -0.207 4.187 685 HA LEU 92 HA LEU 92 -5.641 2.288 3.403 686 HB2 LEU 92 HB2 LEU 92 -4.912 -0.254 2.043 687 HB3 LEU 92 HB1 LEU 92 -6.126 0.760 1.269 688 HG LEU 92 HG LEU 92 -4.635 2.494 0.883 689 HD11 LEU 92 HD11 LEU 92 -3.720 2.955 2.989 690 HD12 LEU 92 HD12 LEU 92 -2.334 2.507 1.992 691 HD13 LEU 92 HD13 LEU 92 -3.013 1.345 3.127 692 HD21 LEU 92 HD21 LEU 92 -2.646 1.532 -0.111 693 HD22 LEU 92 HD22 LEU 92 -4.062 0.542 -0.461 694 HD23 LEU 92 HD23 LEU 92 -2.914 0.032 0.776 695 H LEU 93 HN LEU 93 -6.850 -0.531 4.762 696 HA LEU 93 HA LEU 93 -9.547 -0.373 3.755 697 HB2 LEU 93 HB2 LEU 93 -8.323 -1.832 6.071 698 HB3 LEU 93 HB1 LEU 93 -10.047 -1.839 5.779 699 HG LEU 93 HG LEU 93 -9.850 -3.185 3.885 700 HD11 LEU 93 HD11 LEU 93 -7.714 -3.666 2.760 701 HD12 LEU 93 HD12 LEU 93 -6.909 -2.509 3.832 702 HD13 LEU 93 HD13 LEU 93 -8.140 -1.954 2.693 703 HD21 LEU 93 HD21 LEU 93 -9.343 -4.361 5.961 704 HD22 LEU 93 HD22 LEU 93 -7.626 -4.019 5.733 705 HD23 LEU 93 HD23 LEU 93 -8.480 -5.062 4.593 706 H GLU 94 HN GLU 94 -7.665 0.812 6.326 707 HA GLU 94 HA GLU 94 -9.605 1.779 8.090 708 HB2 GLU 94 HB2 GLU 94 -6.818 2.691 7.408 709 HB3 GLU 94 HB1 GLU 94 -7.723 3.301 8.799 710 HG2 GLU 94 HG2 GLU 94 -6.866 0.454 8.309 711 HG3 GLU 94 HG1 GLU 94 -6.129 1.584 9.441 712 H GLN 95 HN GLN 95 -8.348 2.965 5.069 713 HA GLN 95 HA GLN 95 -9.320 5.653 5.394 714 HB2 GLN 95 HB2 GLN 95 -8.424 4.358 2.835 715 HB3 GLN 95 HB1 GLN 95 -8.251 6.036 3.335 716 HG2 GLN 95 HG2 GLN 95 -6.834 3.766 4.685 717 HG3 GLN 95 HG1 GLN 95 -6.152 4.658 3.337 718 HE21 GLN 95 HE21 GLN 95 -5.328 4.354 6.114 719 HE22 GLN 95 HE22 GLN 95 -5.186 5.954 6.755 720 H ILE 96 HN ILE 96 -10.455 2.649 4.279 721 HA ILE 96 HA ILE 96 -12.095 3.434 2.141 722 HB ILE 96 HB ILE 96 -12.122 0.972 3.857 723 HG12 ILE 96 HG12 ILE 96 -9.987 1.554 2.809 724 HG13 ILE 96 HG11 ILE 96 -10.647 0.066 2.176 725 HG21 ILE 96 HG21 ILE 96 -13.127 1.198 1.050 726 HG22 ILE 96 HG22 ILE 96 -14.176 1.312 2.460 727 HG23 ILE 96 HG23 ILE 96 -13.272 -0.170 2.153 728 HD11 ILE 96 HD11 ILE 96 -10.847 2.752 0.835 729 HD12 ILE 96 HD12 ILE 96 -11.358 1.203 0.166 730 HD13 ILE 96 HD13 ILE 96 -9.644 1.519 0.454 731 HA PRO 97 HA PRO 97 -15.440 5.280 4.134 732 HB2 PRO 97 HB2 PRO 97 -17.219 5.276 2.149 733 HB3 PRO 97 HB1 PRO 97 -15.693 6.160 2.012 734 HG2 PRO 97 HG2 PRO 97 -16.360 3.420 0.997 735 HG3 PRO 97 HG1 PRO 97 -15.633 4.772 0.121 736 HD2 PRO 97 HD2 PRO 97 -14.150 2.794 1.161 737 HD3 PRO 97 HD1 PRO 97 -13.586 4.460 1.109 738 H GLY 98 HN GLY 98 -15.893 3.576 5.751 739 HA2 GLY 98 HA2 GLY 98 -17.793 2.780 6.873 740 HA3 GLY 98 HA1 GLY 98 -18.644 2.769 5.341 741 H ILE 99 HN ILE 99 -17.823 1.153 3.753 742 HA ILE 99 HA ILE 99 -18.266 -1.427 4.439 743 HB ILE 99 HB ILE 99 -16.399 -1.819 2.518 744 HG12 ILE 99 HG12 ILE 99 -17.523 0.901 1.881 745 HG13 ILE 99 HG11 ILE 99 -15.987 0.727 2.712 746 HG21 ILE 99 HG21 ILE 99 -18.717 -2.503 2.370 747 HG22 ILE 99 HG22 ILE 99 -18.258 -1.633 0.905 748 HG23 ILE 99 HG23 ILE 99 -19.223 -0.829 2.143 749 HD11 ILE 99 HD11 ILE 99 -15.601 1.075 0.388 750 HD12 ILE 99 HD12 ILE 99 -16.672 -0.273 -0.036 751 HD13 ILE 99 HD13 ILE 99 -15.149 -0.585 0.809 752 H GLY 100 HN GLY 100 -14.987 -0.439 3.764 753 HA2 GLY 100 HA2 GLY 100 -13.004 -1.308 4.469 754 HA3 GLY 100 HA1 GLY 100 -13.686 -0.904 6.037 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 -8.546 14.590 0.944 2 H2 GLY 1 HT2 GLY 1 -8.712 15.467 -0.492 3 H3 GLY 1 HT3 GLY 1 -8.502 13.791 -0.546 4 HA2 GLY 1 HA1 GLY 1 -10.628 13.458 0.547 5 HA3 GLY 1 HA2 GLY 1 -10.844 15.200 0.601 6 H SER 2 HN SER 2 -9.840 12.863 -1.911 7 HA SER 2 HA SER 2 -12.190 13.524 -3.469 8 HB2 SER 2 HB2 SER 2 -10.849 14.102 -5.493 9 HB3 SER 2 HB1 SER 2 -10.680 15.285 -4.198 10 HG SER 2 HG SER 2 -8.730 13.969 -3.624 11 H THR 3 HN THR 3 -11.957 12.230 -5.682 12 HA THR 3 HA THR 3 -11.913 10.187 -6.666 13 HB THR 3 HB THR 3 -9.333 9.714 -5.158 14 HG1 THR 3 HG1 THR 3 -9.713 11.152 -7.598 15 HG21 THR 3 HG21 THR 3 -10.290 8.832 -7.888 16 HG22 THR 3 HG22 THR 3 -10.141 7.809 -6.457 17 HG23 THR 3 HG23 THR 3 -8.699 8.500 -7.203 18 H ALA 4 HN ALA 4 -10.137 8.290 -4.575 19 HA ALA 4 HA ALA 4 -10.549 6.654 -3.090 20 HB1 ALA 4 HB1 ALA 4 -12.292 6.910 -1.425 21 HB2 ALA 4 HB2 ALA 4 -13.048 8.186 -2.378 22 HB3 ALA 4 HB3 ALA 4 -11.454 8.442 -1.670 23 H THR 5 HN THR 5 -13.724 7.505 -4.506 24 HA THR 5 HA THR 5 -14.915 5.055 -4.599 25 HB THR 5 HB THR 5 -15.041 6.999 -6.899 26 HG1 THR 5 HG1 THR 5 -16.753 7.135 -4.657 27 HG21 THR 5 HG21 THR 5 -16.253 4.894 -7.231 28 HG22 THR 5 HG22 THR 5 -17.372 6.244 -7.042 29 HG23 THR 5 HG23 THR 5 -17.095 5.133 -5.701 30 H LEU 6 HN LEU 6 -12.285 6.154 -6.532 31 HA LEU 6 HA LEU 6 -12.204 4.362 -8.615 32 HB2 LEU 6 HB2 LEU 6 -10.616 6.099 -8.566 33 HB3 LEU 6 HB1 LEU 6 -10.089 5.674 -6.950 34 HG LEU 6 HG LEU 6 -8.991 3.655 -7.835 35 HD11 LEU 6 HD11 LEU 6 -10.436 3.276 -9.770 36 HD12 LEU 6 HD12 LEU 6 -8.738 3.357 -10.240 37 HD13 LEU 6 HD13 LEU 6 -9.801 4.733 -10.534 38 HD21 LEU 6 HD21 LEU 6 -7.156 4.798 -8.925 39 HD22 LEU 6 HD22 LEU 6 -7.781 5.782 -7.598 40 HD23 LEU 6 HD23 LEU 6 -8.190 6.184 -9.266 41 H LEU 7 HN LEU 7 -10.426 3.959 -5.550 42 HA LEU 7 HA LEU 7 -10.064 1.155 -6.110 43 HB2 LEU 7 HB2 LEU 7 -8.730 3.082 -4.587 44 HB3 LEU 7 HB1 LEU 7 -9.391 1.949 -3.420 45 HG LEU 7 HG LEU 7 -7.077 1.386 -4.136 46 HD11 LEU 7 HD11 LEU 7 -9.148 -0.660 -4.922 47 HD12 LEU 7 HD12 LEU 7 -8.734 -0.249 -3.259 48 HD13 LEU 7 HD13 LEU 7 -7.514 -0.968 -4.318 49 HD21 LEU 7 HD21 LEU 7 -7.464 2.117 -6.528 50 HD22 LEU 7 HD22 LEU 7 -8.339 0.602 -6.756 51 HD23 LEU 7 HD23 LEU 7 -6.630 0.575 -6.320 52 H THR 8 HN THR 8 -12.069 3.153 -4.148 53 HA THR 8 HA THR 8 -12.984 1.353 -2.233 54 HB THR 8 HB THR 8 -14.237 3.731 -3.543 55 HG1 THR 8 HG1 THR 8 -12.528 4.207 -2.191 56 HG21 THR 8 HG21 THR 8 -15.958 3.752 -1.814 57 HG22 THR 8 HG22 THR 8 -15.336 2.237 -1.168 58 HG23 THR 8 HG23 THR 8 -16.067 2.275 -2.770 59 H SER 9 HN SER 9 -13.858 1.757 -5.578 60 HA SER 9 HA SER 9 -16.197 0.229 -5.723 61 HB2 SER 9 HB2 SER 9 -15.708 0.091 -8.081 62 HB3 SER 9 HB1 SER 9 -15.140 1.654 -7.506 63 HG SER 9 HG SER 9 -13.176 1.142 -7.999 64 H LYS 10 HN LYS 10 -12.828 -0.606 -5.953 65 HA LYS 10 HA LYS 10 -12.984 -3.357 -6.329 66 HB2 LYS 10 HB2 LYS 10 -10.899 -1.879 -6.395 67 HB3 LYS 10 HB1 LYS 10 -10.899 -1.986 -4.635 68 HG2 LYS 10 HG2 LYS 10 -9.393 -3.614 -5.284 69 HG3 LYS 10 HG1 LYS 10 -10.876 -4.512 -4.974 70 HD2 LYS 10 HD2 LYS 10 -10.035 -3.588 -7.711 71 HD3 LYS 10 HD1 LYS 10 -9.619 -5.172 -7.057 72 HE2 LYS 10 HE2 LYS 10 -12.185 -5.396 -6.680 73 HE3 LYS 10 HE1 LYS 10 -12.290 -4.079 -7.846 74 HZ1 LYS 10 HZ1 LYS 10 -12.470 -6.173 -8.970 75 HZ2 LYS 10 HZ2 LYS 10 -11.013 -6.712 -8.306 76 HZ3 LYS 10 HZ3 LYS 10 -11.015 -5.433 -9.412 77 H LEU 11 HN LEU 11 -12.454 -1.631 -3.272 78 HA LEU 11 HA LEU 11 -12.453 -3.940 -1.683 79 HB2 LEU 11 HB2 LEU 11 -13.162 -1.140 -0.834 80 HB3 LEU 11 HB1 LEU 11 -12.777 -2.458 0.245 81 HG LEU 11 HG LEU 11 -10.762 -1.399 0.219 82 HD11 LEU 11 HD11 LEU 11 -10.526 -3.030 -2.298 83 HD12 LEU 11 HD12 LEU 11 -10.485 -3.690 -0.658 84 HD13 LEU 11 HD13 LEU 11 -9.220 -2.579 -1.195 85 HD21 LEU 11 HD21 LEU 11 -11.607 0.324 -1.423 86 HD22 LEU 11 HD22 LEU 11 -10.991 -0.728 -2.703 87 HD23 LEU 11 HD23 LEU 11 -9.886 -0.050 -1.504 88 H ALA 12 HN ALA 12 -15.048 -2.042 -2.909 89 HA ALA 12 HA ALA 12 -17.142 -2.810 -1.243 90 HB1 ALA 12 HB1 ALA 12 -17.362 -1.102 -2.961 91 HB2 ALA 12 HB2 ALA 12 -18.587 -2.352 -3.180 92 HB3 ALA 12 HB3 ALA 12 -17.160 -2.320 -4.221 93 H GLY 13 HN GLY 13 -15.494 -4.540 -3.793 94 HA2 GLY 13 HA2 GLY 13 -17.440 -6.695 -3.826 95 HA3 GLY 13 HA1 GLY 13 -15.987 -6.577 -4.807 96 H LEU 14 HN LEU 14 -14.758 -5.905 -1.939 97 HA LEU 14 HA LEU 14 -14.107 -8.703 -1.402 98 HB2 LEU 14 HB2 LEU 14 -12.706 -6.165 -0.703 99 HB3 LEU 14 HB1 LEU 14 -12.235 -7.695 -0.066 100 HG LEU 14 HG LEU 14 -10.773 -7.647 -1.740 101 HD11 LEU 14 HD11 LEU 14 -11.533 -8.786 -3.736 102 HD12 LEU 14 HD12 LEU 14 -13.210 -8.432 -3.309 103 HD13 LEU 14 HD13 LEU 14 -12.243 -9.498 -2.281 104 HD21 LEU 14 HD21 LEU 14 -11.236 -5.390 -2.309 105 HD22 LEU 14 HD22 LEU 14 -12.686 -5.861 -3.196 106 HD23 LEU 14 HD23 LEU 14 -11.096 -6.331 -3.796 107 H THR 15 HN THR 15 -13.603 -9.220 0.769 108 HA THR 15 HA THR 15 -15.214 -7.860 2.798 109 HB THR 15 HB THR 15 -14.760 -9.807 4.179 110 HG1 THR 15 HG1 THR 15 -13.420 -11.382 2.451 111 HG21 THR 15 HG21 THR 15 -15.341 -10.614 1.328 112 HG22 THR 15 HG22 THR 15 -16.528 -10.084 2.525 113 HG23 THR 15 HG23 THR 15 -15.668 -11.609 2.750 114 H ALA 16 HN ALA 16 -13.933 -7.457 4.910 115 HA ALA 16 HA ALA 16 -11.913 -5.659 4.509 116 HB1 ALA 16 HB1 ALA 16 -11.327 -5.908 6.847 117 HB2 ALA 16 HB2 ALA 16 -12.125 -7.479 6.911 118 HB3 ALA 16 HB3 ALA 16 -13.077 -6.018 6.660 119 H THR 17 HN THR 17 -11.512 -9.131 5.095 120 HA THR 17 HA THR 17 -8.718 -9.186 5.150 121 HB THR 17 HB THR 17 -10.617 -11.368 4.275 122 HG1 THR 17 HG1 THR 17 -11.180 -11.276 6.314 123 HG21 THR 17 HG21 THR 17 -7.797 -11.524 5.334 124 HG22 THR 17 HG22 THR 17 -8.284 -11.791 3.661 125 HG23 THR 17 HG23 THR 17 -8.832 -12.893 4.926 126 H GLU 18 HN GLU 18 -10.975 -9.623 2.410 127 HA GLU 18 HA GLU 18 -8.900 -10.162 0.571 128 HB2 GLU 18 HB2 GLU 18 -11.766 -9.356 0.161 129 HB3 GLU 18 HB1 GLU 18 -10.686 -9.918 -1.094 130 HG2 GLU 18 HG2 GLU 18 -10.491 -12.058 0.065 131 HG3 GLU 18 HG1 GLU 18 -11.617 -11.473 1.286 132 H GLN 19 HN GLN 19 -10.594 -7.335 1.680 133 HA GLN 19 HA GLN 19 -9.663 -5.478 -0.204 134 HB2 GLN 19 HB2 GLN 19 -10.288 -5.141 2.726 135 HB3 GLN 19 HB1 GLN 19 -10.115 -3.824 1.586 136 HG2 GLN 19 HG2 GLN 19 -12.005 -4.577 0.358 137 HG3 GLN 19 HG1 GLN 19 -12.136 -6.013 1.343 138 HE21 GLN 19 HE21 GLN 19 -14.166 -4.139 0.872 139 HE22 GLN 19 HE22 GLN 19 -14.578 -3.422 2.399 140 H ARG 20 HN ARG 20 -8.309 -6.691 2.832 141 HA ARG 20 HA ARG 20 -5.873 -5.286 2.811 142 HB2 ARG 20 HB2 ARG 20 -5.934 -8.209 3.506 143 HB3 ARG 20 HB1 ARG 20 -5.008 -6.920 4.259 144 HG2 ARG 20 HG2 ARG 20 -7.036 -6.052 5.254 145 HG3 ARG 20 HG1 ARG 20 -7.981 -7.330 4.479 146 HD2 ARG 20 HD2 ARG 20 -7.575 -7.948 6.761 147 HD3 ARG 20 HD1 ARG 20 -6.616 -8.986 5.717 148 HE ARG 20 HE ARG 20 -5.093 -6.761 6.605 149 HH11 ARG 20 HH11 ARG 20 -6.391 -9.826 7.655 150 HH12 ARG 20 HH12 ARG 20 -5.173 -10.085 8.863 151 HH21 ARG 20 HH21 ARG 20 -3.485 -7.075 8.259 152 HH22 ARG 20 HH22 ARG 20 -3.547 -8.533 9.208 153 H ALA 21 HN ALA 21 -6.838 -8.299 1.300 154 HA ALA 21 HA ALA 21 -4.342 -9.068 0.289 155 HB1 ALA 21 HB1 ALA 21 -6.254 -10.584 0.559 156 HB2 ALA 21 HB2 ALA 21 -5.557 -10.667 -1.059 157 HB3 ALA 21 HB3 ALA 21 -7.061 -9.784 -0.790 158 H VAL 22 HN VAL 22 -6.938 -7.242 -1.259 159 HA VAL 22 HA VAL 22 -5.805 -7.362 -3.837 160 HB VAL 22 HB VAL 22 -7.383 -5.488 -4.397 161 HG11 VAL 22 HG11 VAL 22 -7.931 -7.921 -4.525 162 HG12 VAL 22 HG12 VAL 22 -9.324 -6.876 -4.268 163 HG13 VAL 22 HG13 VAL 22 -8.648 -7.787 -2.918 164 HG21 VAL 22 HG21 VAL 22 -9.082 -4.925 -2.685 165 HG22 VAL 22 HG22 VAL 22 -7.467 -4.361 -2.255 166 HG23 VAL 22 HG23 VAL 22 -8.131 -5.805 -1.486 167 H THR 23 HN THR 23 -5.617 -4.735 -1.385 168 HA THR 23 HA THR 23 -3.683 -3.501 -3.165 169 HB THR 23 HB THR 23 -5.031 -1.898 -2.272 170 HG1 THR 23 HG1 THR 23 -2.522 -1.924 -0.997 171 HG21 THR 23 HG21 THR 23 -5.852 -3.187 -0.311 172 HG22 THR 23 HG22 THR 23 -5.487 -1.496 0.044 173 HG23 THR 23 HG23 THR 23 -4.352 -2.759 0.509 174 H ARG 24 HN ARG 24 -3.603 -5.720 -0.588 175 HA ARG 24 HA ARG 24 -0.900 -5.327 0.163 176 HB2 ARG 24 HB2 ARG 24 -2.271 -6.999 1.290 177 HB3 ARG 24 HB1 ARG 24 -2.498 -7.872 -0.215 178 HG2 ARG 24 HG2 ARG 24 0.137 -7.979 -0.129 179 HG3 ARG 24 HG1 ARG 24 -0.160 -7.787 1.601 180 HD2 ARG 24 HD2 ARG 24 -1.693 -9.711 1.521 181 HD3 ARG 24 HD1 ARG 24 -1.328 -9.902 -0.194 182 HE ARG 24 HE ARG 24 1.069 -9.941 1.266 183 HH11 ARG 24 HH11 ARG 24 -1.777 -11.916 0.765 184 HH12 ARG 24 HH12 ARG 24 -0.946 -13.407 1.070 185 HH21 ARG 24 HH21 ARG 24 2.168 -11.881 1.636 186 HH22 ARG 24 HH22 ARG 24 1.313 -13.390 1.532 187 H LYS 25 HN LYS 25 -2.481 -6.125 -2.678 188 HA LYS 25 HA LYS 25 -0.118 -7.014 -4.074 189 HB2 LYS 25 HB2 LYS 25 -1.841 -8.266 -4.866 190 HB3 LYS 25 HB1 LYS 25 -3.045 -7.084 -4.423 191 HG2 LYS 25 HG2 LYS 25 -3.079 -7.395 -6.786 192 HG3 LYS 25 HG1 LYS 25 -2.480 -5.781 -6.419 193 HD2 LYS 25 HD2 LYS 25 -0.164 -6.630 -6.746 194 HD3 LYS 25 HD1 LYS 25 -0.844 -8.188 -7.223 195 HE2 LYS 25 HE2 LYS 25 -2.061 -7.056 -9.049 196 HE3 LYS 25 HE1 LYS 25 -1.283 -5.541 -8.598 197 HZ1 LYS 25 HZ1 LYS 25 0.090 -7.995 -9.551 198 HZ2 LYS 25 HZ2 LYS 25 0.867 -6.578 -9.063 199 HZ3 LYS 25 HZ3 LYS 25 -0.130 -6.568 -10.430 200 H LEU 26 HN LEU 26 -2.403 -4.259 -3.857 201 HA LEU 26 HA LEU 26 -1.250 -2.802 -5.989 202 HB2 LEU 26 HB2 LEU 26 -3.517 -2.414 -5.357 203 HB3 LEU 26 HB1 LEU 26 -3.049 -2.003 -3.725 204 HG LEU 26 HG LEU 26 -3.760 -0.121 -5.290 205 HD11 LEU 26 HD11 LEU 26 -2.412 1.416 -4.132 206 HD12 LEU 26 HD12 LEU 26 -1.138 0.217 -3.907 207 HD13 LEU 26 HD13 LEU 26 -2.675 0.036 -3.058 208 HD21 LEU 26 HD21 LEU 26 -2.407 -0.786 -7.207 209 HD22 LEU 26 HD22 LEU 26 -0.950 -0.459 -6.269 210 HD23 LEU 26 HD23 LEU 26 -2.056 0.860 -6.673 211 H VAL 27 HN VAL 27 -0.925 -2.324 -2.426 212 HA VAL 27 HA VAL 27 0.899 -0.219 -2.604 213 HB VAL 27 HB VAL 27 -0.053 -0.689 -0.439 214 HG11 VAL 27 HG11 VAL 27 -0.388 -3.024 -0.475 215 HG12 VAL 27 HG12 VAL 27 0.731 -2.698 0.853 216 HG13 VAL 27 HG13 VAL 27 1.332 -3.339 -0.678 217 HG21 VAL 27 HG21 VAL 27 2.913 -1.269 -0.384 218 HG22 VAL 27 HG22 VAL 27 1.943 -0.687 0.972 219 HG23 VAL 27 HG23 VAL 27 2.177 0.336 -0.446 220 H LEU 28 HN LEU 28 1.278 -3.624 -2.711 221 HA LEU 28 HA LEU 28 4.049 -3.899 -2.735 222 HB2 LEU 28 HB2 LEU 28 1.951 -5.559 -2.734 223 HB3 LEU 28 HB1 LEU 28 2.342 -5.629 -4.437 224 HG LEU 28 HG LEU 28 4.489 -6.571 -3.987 225 HD11 LEU 28 HD11 LEU 28 3.844 -5.974 -1.115 226 HD12 LEU 28 HD12 LEU 28 5.149 -5.294 -2.093 227 HD13 LEU 28 HD13 LEU 28 5.183 -7.000 -1.642 228 HD21 LEU 28 HD21 LEU 28 3.798 -8.579 -2.624 229 HD22 LEU 28 HD22 LEU 28 2.750 -8.191 -3.989 230 HD23 LEU 28 HD23 LEU 28 2.255 -7.759 -2.350 231 H ASP 29 HN ASP 29 1.715 -3.464 -5.304 232 HA ASP 29 HA ASP 29 3.530 -3.682 -7.471 233 HB2 ASP 29 HB2 ASP 29 0.997 -3.945 -7.546 234 HB3 ASP 29 HB1 ASP 29 0.909 -2.193 -7.482 235 H GLN 30 HN GLN 30 2.104 -0.976 -5.718 236 HA GLN 30 HA GLN 30 3.281 1.113 -7.135 237 HB2 GLN 30 HB2 GLN 30 2.656 0.984 -4.204 238 HB3 GLN 30 HB1 GLN 30 2.812 2.438 -5.173 239 HG2 GLN 30 HG2 GLN 30 0.653 0.351 -5.387 240 HG3 GLN 30 HG1 GLN 30 0.507 1.998 -4.788 241 HE21 GLN 30 HE21 GLN 30 0.867 -0.009 -7.587 242 HE22 GLN 30 HE22 GLN 30 0.446 1.197 -8.757 243 H ALA 31 HN ALA 31 4.330 -0.605 -4.253 244 HA ALA 31 HA ALA 31 6.716 0.812 -3.766 245 HB1 ALA 31 HB1 ALA 31 7.325 -1.090 -2.391 246 HB2 ALA 31 HB2 ALA 31 6.103 -2.089 -3.190 247 HB3 ALA 31 HB3 ALA 31 5.610 -0.729 -2.172 248 H ALA 32 HN ALA 32 5.840 -1.739 -5.876 249 HA ALA 32 HA ALA 32 8.429 -2.560 -6.662 250 HB1 ALA 32 HB1 ALA 32 5.611 -2.907 -7.603 251 HB2 ALA 32 HB2 ALA 32 6.827 -4.126 -7.163 252 HB3 ALA 32 HB3 ALA 32 6.924 -3.305 -8.720 253 H SER 33 HN SER 33 6.019 -0.316 -7.933 254 HA SER 33 HA SER 33 7.392 0.460 -10.254 255 HB2 SER 33 HB2 SER 33 5.045 0.933 -9.955 256 HB3 SER 33 HB1 SER 33 5.374 1.881 -8.507 257 HG SER 33 HG SER 33 5.363 2.648 -11.091 258 H VAL 34 HN VAL 34 7.491 1.580 -6.936 259 HA VAL 34 HA VAL 34 9.138 3.823 -7.255 260 HB VAL 34 HB VAL 34 9.168 1.963 -4.896 261 HG11 VAL 34 HG11 VAL 34 10.827 3.684 -4.781 262 HG12 VAL 34 HG12 VAL 34 9.528 4.086 -3.656 263 HG13 VAL 34 HG13 VAL 34 9.643 4.917 -5.207 264 HG21 VAL 34 HG21 VAL 34 7.321 3.234 -3.990 265 HG22 VAL 34 HG22 VAL 34 6.886 2.392 -5.471 266 HG23 VAL 34 HG23 VAL 34 7.189 4.132 -5.500 267 H LEU 35 HN LEU 35 9.837 0.586 -6.115 268 HA LEU 35 HA LEU 35 12.555 0.985 -5.766 269 HB2 LEU 35 HB2 LEU 35 10.592 -1.117 -5.607 270 HB3 LEU 35 HB1 LEU 35 12.196 -1.719 -6.001 271 HG LEU 35 HG LEU 35 12.996 -1.276 -3.906 272 HD11 LEU 35 HD11 LEU 35 12.123 0.517 -2.421 273 HD12 LEU 35 HD12 LEU 35 11.039 1.018 -3.726 274 HD13 LEU 35 HD13 LEU 35 12.788 1.131 -3.934 275 HD21 LEU 35 HD21 LEU 35 11.037 -1.473 -2.269 276 HD22 LEU 35 HD22 LEU 35 11.283 -2.761 -3.447 277 HD23 LEU 35 HD23 LEU 35 10.031 -1.543 -3.724 278 H GLY 36 HN GLY 36 10.796 -0.154 -8.584 279 HA2 GLY 36 HA2 GLY 36 12.186 0.329 -10.665 280 HA3 GLY 36 HA1 GLY 36 13.385 -0.674 -9.867 281 H TYR 37 HN TYR 37 10.157 -1.574 -9.407 282 HA TYR 37 HA TYR 37 10.701 -4.011 -10.958 283 HB2 TYR 37 HB2 TYR 37 8.713 -3.666 -8.726 284 HB3 TYR 37 HB1 TYR 37 9.348 -5.162 -9.359 285 HD1 TYR 37 HD1 TYR 37 9.200 -4.226 -6.482 286 HD2 TYR 37 HD2 TYR 37 12.311 -4.034 -9.363 287 HE1 TYR 37 HE1 TYR 37 10.845 -4.229 -4.684 288 HE2 TYR 37 HE2 TYR 37 13.984 -4.020 -7.573 289 HH TYR 37 HH TYR 37 13.195 -4.733 -4.307 290 H ALA 38 HN ALA 38 8.948 -5.030 -12.030 291 HA ALA 38 HA ALA 38 6.677 -3.267 -12.662 292 HB1 ALA 38 HB1 ALA 38 8.108 -5.119 -14.560 293 HB2 ALA 38 HB2 ALA 38 8.304 -3.367 -14.505 294 HB3 ALA 38 HB3 ALA 38 6.747 -4.066 -14.950 295 H SER 39 HN SER 39 7.522 -6.010 -11.143 296 HA SER 39 HA SER 39 4.899 -7.182 -11.394 297 HB2 SER 39 HB2 SER 39 7.375 -8.689 -12.257 298 HB3 SER 39 HB1 SER 39 5.814 -9.448 -11.952 299 HG SER 39 HG SER 39 5.562 -7.335 -13.627 300 H THR 40 HN THR 40 6.397 -5.927 -9.313 301 HA THR 40 HA THR 40 7.268 -6.176 -7.208 302 HB THR 40 HB THR 40 5.807 -7.542 -5.719 303 HG1 THR 40 HG1 THR 40 5.134 -9.240 -6.942 304 HG21 THR 40 HG21 THR 40 3.729 -6.269 -6.188 305 HG22 THR 40 HG22 THR 40 4.427 -5.765 -7.729 306 HG23 THR 40 HG23 THR 40 5.178 -5.260 -6.213 307 H GLU 41 HN GLU 41 9.017 -7.431 -8.711 308 HA GLU 41 HA GLU 41 9.241 -10.196 -8.555 309 HB2 GLU 41 HB2 GLU 41 11.633 -9.830 -9.192 310 HB3 GLU 41 HB1 GLU 41 10.457 -9.033 -10.226 311 HG2 GLU 41 HG2 GLU 41 10.877 -6.926 -8.974 312 HG3 GLU 41 HG1 GLU 41 12.159 -7.760 -8.096 313 H SER 42 HN SER 42 11.194 -7.857 -6.647 314 HA SER 42 HA SER 42 11.779 -10.094 -4.842 315 HB2 SER 42 HB2 SER 42 13.414 -7.591 -5.296 316 HB3 SER 42 HB1 SER 42 13.872 -8.971 -4.297 317 HG SER 42 HG SER 42 13.858 -10.252 -6.192 318 H LEU 43 HN LEU 43 9.410 -8.579 -4.556 319 HA LEU 43 HA LEU 43 9.931 -6.927 -2.210 320 HB2 LEU 43 HB2 LEU 43 7.475 -7.418 -3.865 321 HB3 LEU 43 HB1 LEU 43 7.448 -6.509 -2.367 322 HG LEU 43 HG LEU 43 9.153 -5.760 -4.734 323 HD11 LEU 43 HD11 LEU 43 6.826 -5.639 -5.337 324 HD12 LEU 43 HD12 LEU 43 7.481 -4.015 -5.117 325 HD13 LEU 43 HD13 LEU 43 6.464 -4.737 -3.868 326 HD21 LEU 43 HD21 LEU 43 9.264 -3.607 -3.556 327 HD22 LEU 43 HD22 LEU 43 9.961 -4.923 -2.612 328 HD23 LEU 43 HD23 LEU 43 8.354 -4.310 -2.221 329 H ASP 44 HN ASP 44 8.360 -7.174 -0.407 330 HA ASP 44 HA ASP 44 7.335 -9.872 -0.035 331 HB2 ASP 44 HB2 ASP 44 9.756 -9.422 1.025 332 HB3 ASP 44 HB1 ASP 44 8.779 -8.673 2.278 333 H THR 45 HN THR 45 5.595 -9.934 1.383 334 HA THR 45 HA THR 45 4.558 -7.299 2.127 335 HB THR 45 HB THR 45 2.406 -8.652 2.495 336 HG1 THR 45 HG1 THR 45 3.650 -10.464 0.691 337 HG21 THR 45 HG21 THR 45 3.612 -8.229 -0.224 338 HG22 THR 45 HG22 THR 45 2.564 -7.135 0.681 339 HG23 THR 45 HG23 THR 45 1.920 -8.647 0.044 340 H HIS 46 HN HIS 46 6.141 -9.940 3.394 341 HA HIS 46 HA HIS 46 5.009 -9.528 6.080 342 HB2 HIS 46 HB2 HIS 46 6.838 -11.722 5.072 343 HB3 HIS 46 HB1 HIS 46 6.189 -11.605 6.699 344 HD1 HIS 46 HD1 HIS 46 4.228 -13.054 7.069 345 HD2 HIS 46 HD2 HIS 46 4.551 -11.851 3.113 346 HE1 HIS 46 HE1 HIS 46 2.385 -14.251 5.854 347 HE2 HIS 46 HE2 HIS 46 2.808 -13.739 3.425 348 H GLU 47 HN GLU 47 7.332 -8.284 4.192 349 HA GLU 47 HA GLU 47 9.143 -7.860 6.456 350 HB2 GLU 47 HB2 GLU 47 10.927 -8.475 5.263 351 HB3 GLU 47 HB1 GLU 47 9.800 -9.161 4.109 352 HG2 GLU 47 HG2 GLU 47 9.862 -7.053 2.828 353 HG3 GLU 47 HG1 GLU 47 11.042 -6.419 3.983 354 H SER 48 HN SER 48 10.134 -5.779 6.525 355 HA SER 48 HA SER 48 8.052 -3.858 5.967 356 HB2 SER 48 HB2 SER 48 10.621 -3.251 7.406 357 HB3 SER 48 HB1 SER 48 9.015 -2.567 7.647 358 HG SER 48 HG SER 48 9.605 -4.067 9.295 359 H PHE 49 HN PHE 49 8.310 -1.933 4.912 360 HA PHE 49 HA PHE 49 9.688 -1.864 2.522 361 HB2 PHE 49 HB2 PHE 49 8.732 0.471 4.162 362 HB3 PHE 49 HB1 PHE 49 9.195 0.553 2.468 363 HD1 PHE 49 HD1 PHE 49 7.754 -0.323 0.747 364 HD2 PHE 49 HD2 PHE 49 6.696 -0.615 4.852 365 HE1 PHE 49 HE1 PHE 49 5.441 -0.868 0.113 366 HE2 PHE 49 HE2 PHE 49 4.396 -1.156 4.226 367 HZ PHE 49 HZ PHE 49 3.760 -1.284 1.864 368 H LYS 50 HN LYS 50 10.718 -0.802 5.655 369 HA LYS 50 HA LYS 50 13.057 0.473 5.257 370 HB2 LYS 50 HB2 LYS 50 12.020 -0.432 7.399 371 HB3 LYS 50 HB1 LYS 50 12.806 -1.951 7.024 372 HG2 LYS 50 HG2 LYS 50 14.122 -0.767 8.610 373 HG3 LYS 50 HG1 LYS 50 14.983 -0.813 7.075 374 HD2 LYS 50 HD2 LYS 50 15.182 1.388 8.073 375 HD3 LYS 50 HD1 LYS 50 14.209 1.480 6.606 376 HE2 LYS 50 HE2 LYS 50 12.173 1.509 7.931 377 HE3 LYS 50 HE1 LYS 50 13.115 1.336 9.411 378 HZ1 LYS 50 HZ1 LYS 50 13.299 3.631 7.539 379 HZ2 LYS 50 HZ2 LYS 50 14.111 3.471 9.010 380 HZ3 LYS 50 HZ3 LYS 50 12.431 3.631 8.989 381 H ASP 51 HN ASP 51 12.626 -3.021 5.134 382 HA ASP 51 HA ASP 51 15.264 -3.588 4.240 383 HB2 ASP 51 HB2 ASP 51 13.742 -5.200 5.433 384 HB3 ASP 51 HB1 ASP 51 12.845 -5.355 3.930 385 H LEU 52 HN LEU 52 12.289 -2.821 2.664 386 HA LEU 52 HA LEU 52 12.949 -3.776 0.072 387 HB2 LEU 52 HB2 LEU 52 10.872 -1.936 1.180 388 HB3 LEU 52 HB1 LEU 52 11.058 -2.104 -0.538 389 HG LEU 52 HG LEU 52 10.561 -4.514 -0.366 390 HD11 LEU 52 HD11 LEU 52 10.178 -3.884 2.542 391 HD12 LEU 52 HD12 LEU 52 11.378 -4.973 1.843 392 HD13 LEU 52 HD13 LEU 52 9.661 -5.375 1.757 393 HD21 LEU 52 HD21 LEU 52 8.549 -2.698 0.928 394 HD22 LEU 52 HD22 LEU 52 8.207 -4.326 0.340 395 HD23 LEU 52 HD23 LEU 52 8.705 -3.061 -0.793 396 H GLY 53 HN GLY 53 13.779 -1.048 1.906 397 HA2 GLY 53 HA2 GLY 53 15.738 0.127 1.258 398 HA3 GLY 53 HA1 GLY 53 15.258 -0.038 -0.416 399 H PHE 54 HN PHE 54 12.649 0.816 1.624 400 HA PHE 54 HA PHE 54 12.500 3.344 0.333 401 HB2 PHE 54 HB2 PHE 54 10.797 2.040 2.453 402 HB3 PHE 54 HB1 PHE 54 10.472 3.648 1.805 403 HD1 PHE 54 HD1 PHE 54 9.685 3.969 -0.404 404 HD2 PHE 54 HD2 PHE 54 10.620 0.074 1.009 405 HE1 PHE 54 HE1 PHE 54 8.589 3.012 -2.368 406 HE2 PHE 54 HE2 PHE 54 9.525 -0.911 -0.947 407 HZ PHE 54 HZ PHE 54 8.520 0.551 -2.673 408 H ASP 55 HN ASP 55 12.250 5.393 1.348 409 HA ASP 55 HA ASP 55 13.628 5.919 3.829 410 HB2 ASP 55 HB2 ASP 55 15.376 5.450 1.917 411 HB3 ASP 55 HB1 ASP 55 14.908 7.046 1.345 412 H SER 56 HN SER 56 14.258 8.615 3.348 413 HA SER 56 HA SER 56 11.623 9.785 3.242 414 HB2 SER 56 HB2 SER 56 14.333 11.124 3.465 415 HB3 SER 56 HB1 SER 56 12.773 11.885 3.778 416 HG SER 56 HG SER 56 14.193 10.004 5.296 417 H LEU 57 HN LEU 57 12.333 8.564 0.867 418 HA LEU 57 HA LEU 57 12.203 10.720 -1.077 419 HB2 LEU 57 HB2 LEU 57 14.003 8.332 -1.307 420 HB3 LEU 57 HB1 LEU 57 13.869 9.640 -2.466 421 HG LEU 57 HG LEU 57 14.857 9.998 0.353 422 HD11 LEU 57 HD11 LEU 57 16.336 8.467 -0.804 423 HD12 LEU 57 HD12 LEU 57 17.114 10.038 -0.609 424 HD13 LEU 57 HD13 LEU 57 16.445 9.572 -2.174 425 HD21 LEU 57 HD21 LEU 57 14.016 12.012 -0.693 426 HD22 LEU 57 HD22 LEU 57 15.032 11.732 -2.107 427 HD23 LEU 57 HD23 LEU 57 15.771 12.091 -0.547 428 H THR 58 HN THR 58 12.609 7.215 -0.991 429 HA THR 58 HA THR 58 10.831 6.760 -3.140 430 HB THR 58 HB THR 58 11.112 4.310 -2.281 431 HG1 THR 58 HG1 THR 58 13.285 4.398 -1.063 432 HG21 THR 58 HG21 THR 58 13.510 5.907 -3.185 433 HG22 THR 58 HG22 THR 58 12.256 5.255 -4.239 434 HG23 THR 58 HG23 THR 58 13.304 4.161 -3.336 435 H ALA 59 HN ALA 59 10.560 6.346 0.365 436 HA ALA 59 HA ALA 59 8.046 5.186 0.476 437 HB1 ALA 59 HB1 ALA 59 7.902 6.055 2.733 438 HB2 ALA 59 HB2 ALA 59 9.145 7.259 2.386 439 HB3 ALA 59 HB3 ALA 59 9.566 5.548 2.425 440 H LEU 60 HN LEU 60 9.061 8.468 -0.020 441 HA LEU 60 HA LEU 60 6.584 9.731 0.364 442 HB2 LEU 60 HB2 LEU 60 9.076 10.509 -1.129 443 HB3 LEU 60 HB1 LEU 60 7.688 11.574 -1.006 444 HG LEU 60 HG LEU 60 9.464 12.128 0.628 445 HD11 LEU 60 HD11 LEU 60 7.142 12.677 1.121 446 HD12 LEU 60 HD12 LEU 60 8.049 12.281 2.581 447 HD13 LEU 60 HD13 LEU 60 6.940 11.101 1.887 448 HD21 LEU 60 HD21 LEU 60 9.813 10.676 2.564 449 HD22 LEU 60 HD22 LEU 60 10.332 9.902 1.066 450 HD23 LEU 60 HD23 LEU 60 8.800 9.441 1.812 451 H GLU 61 HN GLU 61 8.224 8.623 -2.605 452 HA GLU 61 HA GLU 61 5.982 9.390 -4.226 453 HB2 GLU 61 HB2 GLU 61 7.170 7.878 -5.953 454 HB3 GLU 61 HB1 GLU 61 7.942 9.385 -5.464 455 HG2 GLU 61 HG2 GLU 61 9.352 8.124 -3.905 456 HG3 GLU 61 HG1 GLU 61 8.594 6.632 -4.453 457 H LEU 62 HN LEU 62 6.970 6.465 -2.571 458 HA LEU 62 HA LEU 62 5.035 4.734 -3.721 459 HB2 LEU 62 HB2 LEU 62 6.802 3.818 -2.371 460 HB3 LEU 62 HB1 LEU 62 6.276 4.751 -0.986 461 HG LEU 62 HG LEU 62 4.182 3.494 -0.906 462 HD11 LEU 62 HD11 LEU 62 5.354 1.991 -3.224 463 HD12 LEU 62 HD12 LEU 62 3.898 2.987 -3.224 464 HD13 LEU 62 HD13 LEU 62 3.942 1.482 -2.299 465 HD21 LEU 62 HD21 LEU 62 6.547 1.657 -1.030 466 HD22 LEU 62 HD22 LEU 62 5.081 1.466 -0.065 467 HD23 LEU 62 HD23 LEU 62 6.217 2.767 0.297 468 H ARG 63 HN ARG 63 5.032 6.754 -0.838 469 HA ARG 63 HA ARG 63 2.455 6.234 0.089 470 HB2 ARG 63 HB2 ARG 63 3.882 7.469 1.495 471 HB3 ARG 63 HB1 ARG 63 4.346 8.572 0.210 472 HG2 ARG 63 HG2 ARG 63 1.813 9.245 0.285 473 HG3 ARG 63 HG1 ARG 63 1.917 8.586 1.921 474 HD2 ARG 63 HD2 ARG 63 2.351 11.012 1.839 475 HD3 ARG 63 HD1 ARG 63 3.718 10.090 2.458 476 HE ARG 63 HE ARG 63 4.405 10.294 -0.093 477 HH11 ARG 63 HH11 ARG 63 3.123 12.716 2.080 478 HH12 ARG 63 HH12 ARG 63 3.909 14.038 1.277 479 HH21 ARG 63 HH21 ARG 63 5.426 12.034 -1.173 480 HH22 ARG 63 HH22 ARG 63 5.207 13.649 -0.581 481 H ASP 64 HN ASP 64 3.780 8.599 -2.146 482 HA ASP 64 HA ASP 64 1.476 9.891 -2.960 483 HB2 ASP 64 HB2 ASP 64 3.878 10.461 -3.499 484 HB3 ASP 64 HB1 ASP 64 3.801 9.216 -4.735 485 H HIS 65 HN HIS 65 2.968 6.909 -4.132 486 HA HIS 65 HA HIS 65 1.229 6.390 -6.265 487 HB2 HIS 65 HB2 HIS 65 2.814 4.556 -4.514 488 HB3 HIS 65 HB1 HIS 65 1.914 4.002 -5.901 489 HD1 HIS 65 HD1 HIS 65 2.899 6.632 -7.636 490 HD2 HIS 65 HD2 HIS 65 5.182 3.823 -5.639 491 HE1 HIS 65 HE1 HIS 65 5.186 6.712 -8.705 492 HE2 HIS 65 HE2 HIS 65 6.568 5.081 -7.417 493 H LEU 66 HN LEU 66 1.037 5.483 -2.818 494 HA LEU 66 HA LEU 66 -1.163 3.733 -3.147 495 HB2 LEU 66 HB2 LEU 66 0.057 5.167 -0.842 496 HB3 LEU 66 HB1 LEU 66 -1.466 4.339 -0.626 497 HG LEU 66 HG LEU 66 -0.524 2.243 -0.800 498 HD11 LEU 66 HD11 LEU 66 0.501 2.532 -2.989 499 HD12 LEU 66 HD12 LEU 66 1.608 1.739 -1.872 500 HD13 LEU 66 HD13 LEU 66 1.819 3.447 -2.262 501 HD21 LEU 66 HD21 LEU 66 1.590 2.261 0.467 502 HD22 LEU 66 HD22 LEU 66 0.356 3.311 1.162 503 HD23 LEU 66 HD23 LEU 66 1.682 4.007 0.229 504 H GLN 67 HN GLN 67 -0.943 7.148 -2.361 505 HA GLN 67 HA GLN 67 -3.741 7.500 -1.860 506 HB2 GLN 67 HB2 GLN 67 -1.908 9.687 -2.771 507 HB3 GLN 67 HB1 GLN 67 -3.271 9.788 -1.665 508 HG2 GLN 67 HG2 GLN 67 -2.088 8.885 0.086 509 HG3 GLN 67 HG1 GLN 67 -0.929 8.114 -1.003 510 HE21 GLN 67 HE21 GLN 67 -0.410 10.393 -2.603 511 HE22 GLN 67 HE22 GLN 67 0.529 11.479 -1.652 512 H THR 68 HN THR 68 -1.635 7.765 -4.633 513 HA THR 68 HA THR 68 -3.508 8.839 -6.420 514 HB THR 68 HB THR 68 -0.900 7.405 -6.527 515 HG1 THR 68 HG1 THR 68 -0.672 9.533 -6.118 516 HG21 THR 68 HG21 THR 68 -2.152 6.584 -8.468 517 HG22 THR 68 HG22 THR 68 -0.787 7.596 -8.933 518 HG23 THR 68 HG23 THR 68 -2.427 8.247 -8.988 519 H ALA 69 HN ALA 69 -2.312 5.636 -5.767 520 HA ALA 69 HA ALA 69 -3.894 4.109 -7.429 521 HB1 ALA 69 HB1 ALA 69 -2.800 3.436 -4.720 522 HB2 ALA 69 HB2 ALA 69 -1.958 3.272 -6.260 523 HB3 ALA 69 HB3 ALA 69 -3.369 2.269 -5.913 524 H THR 70 HN THR 70 -4.496 4.967 -4.019 525 HA THR 70 HA THR 70 -7.028 3.523 -4.107 526 HB THR 70 HB THR 70 -7.140 3.929 -1.698 527 HG1 THR 70 HG1 THR 70 -4.638 5.238 -1.780 528 HG21 THR 70 HG21 THR 70 -5.707 2.093 -2.560 529 HG22 THR 70 HG22 THR 70 -5.153 2.739 -1.015 530 HG23 THR 70 HG23 THR 70 -4.329 3.196 -2.506 531 H GLY 71 HN GLY 71 -5.817 6.771 -3.885 532 HA2 GLY 71 HA2 GLY 71 -6.985 8.725 -4.451 533 HA3 GLY 71 HA1 GLY 71 -8.498 7.833 -4.337 534 H LEU 72 HN LEU 72 -6.568 7.100 -1.754 535 HA LEU 72 HA LEU 72 -8.244 8.738 -0.011 536 HB2 LEU 72 HB2 LEU 72 -6.632 6.229 0.363 537 HB3 LEU 72 HB1 LEU 72 -7.197 7.149 1.740 538 HG LEU 72 HG LEU 72 -8.642 5.220 1.210 539 HD11 LEU 72 HD11 LEU 72 -10.767 6.384 1.321 540 HD12 LEU 72 HD12 LEU 72 -9.993 7.878 0.790 541 HD13 LEU 72 HD13 LEU 72 -9.571 7.170 2.350 542 HD21 LEU 72 HD21 LEU 72 -10.088 5.240 -0.735 543 HD22 LEU 72 HD22 LEU 72 -8.393 5.189 -1.212 544 HD23 LEU 72 HD23 LEU 72 -9.292 6.698 -1.326 545 H ASN 73 HN ASN 73 -6.673 8.843 2.258 546 HA ASN 73 HA ASN 73 -4.523 10.619 1.323 547 HB2 ASN 73 HB2 ASN 73 -6.561 11.834 2.124 548 HB3 ASN 73 HB1 ASN 73 -6.301 11.121 3.711 549 HD21 ASN 73 HD21 ASN 73 -5.108 13.372 1.351 550 HD22 ASN 73 HD22 ASN 73 -4.030 14.217 2.410 551 H LEU 74 HN LEU 74 -2.787 9.413 1.753 552 HA LEU 74 HA LEU 74 -2.571 8.091 4.329 553 HB2 LEU 74 HB2 LEU 74 -0.948 7.867 1.800 554 HB3 LEU 74 HB1 LEU 74 -0.573 7.005 3.290 555 HG LEU 74 HG LEU 74 -3.046 6.139 3.045 556 HD11 LEU 74 HD11 LEU 74 -3.791 5.851 0.771 557 HD12 LEU 74 HD12 LEU 74 -2.352 6.676 0.157 558 HD13 LEU 74 HD13 LEU 74 -3.557 7.573 1.081 559 HD21 LEU 74 HD21 LEU 74 -0.650 5.187 1.518 560 HD22 LEU 74 HD22 LEU 74 -2.150 4.273 1.629 561 HD23 LEU 74 HD23 LEU 74 -1.237 4.644 3.092 562 H SER 75 HN SER 75 0.449 8.166 4.285 563 HA SER 75 HA SER 75 0.735 10.956 5.152 564 HB2 SER 75 HB2 SER 75 -0.131 9.771 7.103 565 HB3 SER 75 HB1 SER 75 1.150 8.570 6.967 566 HG SER 75 HG SER 75 2.252 9.848 8.196 567 H SER 76 HN SER 76 3.023 11.440 5.901 568 HA SER 76 HA SER 76 4.776 10.841 3.803 569 HB2 SER 76 HB2 SER 76 5.431 11.944 6.538 570 HB3 SER 76 HB1 SER 76 6.454 12.055 5.105 571 HG SER 76 HG SER 76 5.402 13.841 4.768 572 H THR 77 HN THR 77 4.682 9.571 7.112 573 HA THR 77 HA THR 77 6.894 7.742 6.462 574 HB THR 77 HB THR 77 6.961 7.363 8.956 575 HG1 THR 77 HG1 THR 77 5.284 8.142 9.993 576 HG21 THR 77 HG21 THR 77 8.083 9.501 9.428 577 HG22 THR 77 HG22 THR 77 7.372 10.183 7.965 578 HG23 THR 77 HG23 THR 77 8.531 8.859 7.848 579 H LEU 78 HN LEU 78 4.280 7.497 5.525 580 HA LEU 78 HA LEU 78 2.424 5.966 6.790 581 HB2 LEU 78 HB2 LEU 78 2.288 7.054 4.582 582 HB3 LEU 78 HB1 LEU 78 3.339 5.826 3.936 583 HG LEU 78 HG LEU 78 0.716 5.787 3.631 584 HD11 LEU 78 HD11 LEU 78 0.909 3.327 3.309 585 HD12 LEU 78 HD12 LEU 78 2.542 3.437 3.969 586 HD13 LEU 78 HD13 LEU 78 2.126 4.302 2.477 587 HD21 LEU 78 HD21 LEU 78 1.222 4.587 6.308 588 HD22 LEU 78 HD22 LEU 78 -0.051 3.932 5.272 589 HD23 LEU 78 HD23 LEU 78 -0.096 5.626 5.758 590 H ILE 79 HN ILE 79 4.976 4.666 4.691 591 HA ILE 79 HA ILE 79 4.441 1.947 5.474 592 HB ILE 79 HB ILE 79 6.245 1.379 3.971 593 HG12 ILE 79 HG12 ILE 79 6.816 4.330 4.033 594 HG13 ILE 79 HG11 ILE 79 7.914 3.006 4.409 595 HG21 ILE 79 HG21 ILE 79 5.439 2.464 1.929 596 HG22 ILE 79 HG22 ILE 79 4.522 3.608 2.912 597 HG23 ILE 79 HG23 ILE 79 4.121 1.888 2.950 598 HD11 ILE 79 HD11 ILE 79 7.684 2.316 2.001 599 HD12 ILE 79 HD12 ILE 79 8.537 3.828 2.304 600 HD13 ILE 79 HD13 ILE 79 6.865 3.862 1.742 601 H PHE 80 HN PHE 80 5.866 4.227 7.212 602 HA PHE 80 HA PHE 80 7.679 2.290 8.475 603 HB2 PHE 80 HB2 PHE 80 7.823 5.314 8.497 604 HB3 PHE 80 HB1 PHE 80 8.907 4.247 9.384 605 HD1 PHE 80 HD1 PHE 80 9.132 6.340 6.876 606 HD2 PHE 80 HD2 PHE 80 9.428 2.134 7.441 607 HE1 PHE 80 HE1 PHE 80 10.536 6.170 4.866 608 HE2 PHE 80 HE2 PHE 80 10.829 1.941 5.428 609 HZ PHE 80 HZ PHE 80 11.394 3.974 4.141 610 H ASP 81 HN ASP 81 4.876 4.041 8.567 611 HA ASP 81 HA ASP 81 4.407 3.893 11.409 612 HB2 ASP 81 HB2 ASP 81 3.372 5.564 9.648 613 HB3 ASP 81 HB1 ASP 81 2.305 4.220 9.323 614 H HIS 82 HN HIS 82 3.594 2.356 8.421 615 HA HIS 82 HA HIS 82 2.634 -0.031 9.818 616 HB2 HIS 82 HB2 HIS 82 1.836 0.911 7.053 617 HB3 HIS 82 HB1 HIS 82 1.119 -0.399 7.981 618 HD1 HIS 82 HD1 HIS 82 -0.446 0.250 9.946 619 HD2 HIS 82 HD2 HIS 82 1.010 3.472 7.760 620 HE1 HIS 82 HE1 HIS 82 -1.728 2.245 10.765 621 HE2 HIS 82 HE2 HIS 82 -0.674 4.206 9.593 622 HA PRO 83 HA PRO 83 6.626 -1.071 8.478 623 HB2 PRO 83 HB2 PRO 83 6.530 -3.765 9.028 624 HB3 PRO 83 HB1 PRO 83 6.762 -2.508 10.249 625 HG2 PRO 83 HG2 PRO 83 4.226 -3.909 9.435 626 HG3 PRO 83 HG1 PRO 83 4.835 -3.550 11.067 627 HD2 PRO 83 HD2 PRO 83 2.962 -2.011 9.956 628 HD3 PRO 83 HD1 PRO 83 4.266 -1.293 10.911 629 H THR 84 HN THR 84 4.046 -3.221 7.326 630 HA THR 84 HA THR 84 5.738 -3.825 5.018 631 HB THR 84 HB THR 84 4.684 -6.025 4.944 632 HG1 THR 84 HG1 THR 84 3.505 -6.513 7.069 633 HG21 THR 84 HG21 THR 84 5.773 -5.432 7.698 634 HG22 THR 84 HG22 THR 84 6.759 -5.690 6.260 635 HG23 THR 84 HG23 THR 84 5.754 -7.000 6.888 636 HA PRO 85 HA PRO 85 2.459 -2.597 2.286 637 HB2 PRO 85 HB2 PRO 85 2.766 -5.238 0.976 638 HB3 PRO 85 HB1 PRO 85 2.897 -3.626 0.274 639 HG2 PRO 85 HG2 PRO 85 5.053 -5.164 0.698 640 HG3 PRO 85 HG1 PRO 85 5.108 -3.400 0.858 641 HD2 PRO 85 HD2 PRO 85 5.051 -5.489 2.968 642 HD3 PRO 85 HD1 PRO 85 5.846 -3.909 2.968 643 H HIS 86 HN HIS 86 2.563 -5.482 4.048 644 HA HIS 86 HA HIS 86 -0.177 -6.280 3.677 645 HB2 HIS 86 HB2 HIS 86 1.155 -8.044 4.367 646 HB3 HIS 86 HB1 HIS 86 2.103 -7.050 5.449 647 HD1 HIS 86 HD1 HIS 86 -0.625 -9.466 5.411 648 HD2 HIS 86 HD2 HIS 86 0.693 -6.411 7.917 649 HE1 HIS 86 HE1 HIS 86 -1.672 -9.936 7.649 650 HE2 HIS 86 HE2 HIS 86 -0.971 -8.008 9.112 651 H ALA 87 HN ALA 87 1.697 -4.540 6.089 652 HA ALA 87 HA ALA 87 -0.502 -4.014 7.845 653 HB1 ALA 87 HB1 ALA 87 1.068 -2.617 9.056 654 HB2 ALA 87 HB2 ALA 87 2.190 -2.660 7.695 655 HB3 ALA 87 HB3 ALA 87 1.850 -4.133 8.609 656 H VAL 88 HN VAL 88 0.783 -2.646 5.060 657 HA VAL 88 HA VAL 88 -0.361 -0.014 5.474 658 HB VAL 88 HB VAL 88 1.113 -1.271 3.182 659 HG11 VAL 88 HG11 VAL 88 1.182 1.000 2.202 660 HG12 VAL 88 HG12 VAL 88 0.025 1.516 3.431 661 HG13 VAL 88 HG13 VAL 88 -0.431 0.288 2.251 662 HG21 VAL 88 HG21 VAL 88 2.889 0.316 3.778 663 HG22 VAL 88 HG22 VAL 88 2.512 -0.795 5.095 664 HG23 VAL 88 HG23 VAL 88 1.917 0.869 5.144 665 H ALA 89 HN ALA 89 -0.832 -2.799 3.351 666 HA ALA 89 HA ALA 89 -2.998 -1.761 1.932 667 HB1 ALA 89 HB1 ALA 89 -3.592 -4.108 1.457 668 HB2 ALA 89 HB2 ALA 89 -2.369 -4.622 2.621 669 HB3 ALA 89 HB3 ALA 89 -1.894 -3.740 1.169 670 H GLU 90 HN GLU 90 -2.922 -3.510 5.073 671 HA GLU 90 HA GLU 90 -5.776 -3.536 5.298 672 HB2 GLU 90 HB2 GLU 90 -5.311 -3.988 7.723 673 HB3 GLU 90 HB1 GLU 90 -4.533 -5.109 6.611 674 HG2 GLU 90 HG2 GLU 90 -2.441 -3.980 6.856 675 HG3 GLU 90 HG1 GLU 90 -3.181 -2.731 7.849 676 H HIS 91 HN HIS 91 -3.223 -1.335 6.115 677 HA HIS 91 HA HIS 91 -4.691 0.512 7.601 678 HB2 HIS 91 HB2 HIS 91 -2.347 0.711 7.699 679 HB3 HIS 91 HB1 HIS 91 -2.190 0.723 5.941 680 HD1 HIS 91 HD1 HIS 91 -3.494 2.950 8.751 681 HD2 HIS 91 HD2 HIS 91 -2.129 3.155 4.833 682 HE1 HIS 91 HE1 HIS 91 -3.351 5.405 8.219 683 HE2 HIS 91 HE2 HIS 91 -2.380 5.517 5.900 684 H LEU 92 HN LEU 92 -4.566 -0.176 4.219 685 HA LEU 92 HA LEU 92 -5.720 2.300 3.403 686 HB2 LEU 92 HB2 LEU 92 -4.961 -0.250 2.091 687 HB3 LEU 92 HB1 LEU 92 -6.206 0.716 1.304 688 HG LEU 92 HG LEU 92 -4.752 2.501 0.903 689 HD11 LEU 92 HD11 LEU 92 -3.752 2.963 2.961 690 HD12 LEU 92 HD12 LEU 92 -2.402 2.484 1.929 691 HD13 LEU 92 HD13 LEU 92 -3.068 1.344 3.094 692 HD21 LEU 92 HD21 LEU 92 -2.774 1.535 -0.140 693 HD22 LEU 92 HD22 LEU 92 -4.222 0.589 -0.489 694 HD23 LEU 92 HD23 LEU 92 -3.066 0.022 0.716 695 H LEU 93 HN LEU 93 -6.907 -0.478 4.859 696 HA LEU 93 HA LEU 93 -9.624 -0.346 3.898 697 HB2 LEU 93 HB2 LEU 93 -8.364 -1.685 6.268 698 HB3 LEU 93 HB1 LEU 93 -10.092 -1.704 6.001 699 HG LEU 93 HG LEU 93 -9.919 -3.144 4.173 700 HD11 LEU 93 HD11 LEU 93 -7.789 -3.703 3.071 701 HD12 LEU 93 HD12 LEU 93 -6.973 -2.500 4.077 702 HD13 LEU 93 HD13 LEU 93 -8.201 -1.995 2.913 703 HD21 LEU 93 HD21 LEU 93 -7.667 -3.929 6.008 704 HD22 LEU 93 HD22 LEU 93 -8.643 -5.005 5.000 705 HD23 LEU 93 HD23 LEU 93 -9.382 -4.157 6.358 706 H GLU 94 HN GLU 94 -7.702 0.877 6.446 707 HA GLU 94 HA GLU 94 -9.577 1.921 8.216 708 HB2 GLU 94 HB2 GLU 94 -6.811 2.772 7.397 709 HB3 GLU 94 HB1 GLU 94 -7.670 3.525 8.744 710 HG2 GLU 94 HG2 GLU 94 -7.039 0.590 8.549 711 HG3 GLU 94 HG1 GLU 94 -6.033 1.768 9.388 712 H GLN 95 HN GLN 95 -8.478 3.001 5.122 713 HA GLN 95 HA GLN 95 -9.459 5.692 5.361 714 HB2 GLN 95 HB2 GLN 95 -8.649 4.292 2.835 715 HB3 GLN 95 HB1 GLN 95 -8.436 5.983 3.271 716 HG2 GLN 95 HG2 GLN 95 -7.000 3.733 4.641 717 HG3 GLN 95 HG1 GLN 95 -6.354 4.585 3.245 718 HE21 GLN 95 HE21 GLN 95 -5.486 4.344 6.049 719 HE22 GLN 95 HE22 GLN 95 -5.290 5.969 6.610 720 H ILE 96 HN ILE 96 -10.673 2.644 4.441 721 HA ILE 96 HA ILE 96 -12.371 3.454 2.306 722 HB ILE 96 HB ILE 96 -12.216 0.896 3.873 723 HG12 ILE 96 HG12 ILE 96 -10.125 1.682 2.864 724 HG13 ILE 96 HG11 ILE 96 -10.685 0.183 2.159 725 HG21 ILE 96 HG21 ILE 96 -13.261 -0.214 2.053 726 HG22 ILE 96 HG22 ILE 96 -13.257 1.256 1.083 727 HG23 ILE 96 HG23 ILE 96 -14.294 1.142 2.508 728 HD11 ILE 96 HD11 ILE 96 -11.131 2.898 0.943 729 HD12 ILE 96 HD12 ILE 96 -11.437 1.330 0.195 730 HD13 ILE 96 HD13 ILE 96 -9.779 1.838 0.533 731 HA PRO 97 HA PRO 97 -15.869 4.794 4.506 732 HB2 PRO 97 HB2 PRO 97 -17.679 4.750 2.551 733 HB3 PRO 97 HB1 PRO 97 -16.264 5.809 2.470 734 HG2 PRO 97 HG2 PRO 97 -16.651 3.111 1.228 735 HG3 PRO 97 HG1 PRO 97 -16.088 4.601 0.466 736 HD2 PRO 97 HD2 PRO 97 -14.390 2.707 1.327 737 HD3 PRO 97 HD1 PRO 97 -13.994 4.422 1.385 738 H GLY 98 HN GLY 98 -15.980 2.841 5.936 739 HA2 GLY 98 HA2 GLY 98 -17.554 1.588 7.087 740 HA3 GLY 98 HA1 GLY 98 -18.665 1.807 5.749 741 H ILE 99 HN ILE 99 -17.605 0.653 3.665 742 HA ILE 99 HA ILE 99 -17.920 -2.097 3.999 743 HB ILE 99 HB ILE 99 -16.468 -2.080 1.758 744 HG12 ILE 99 HG12 ILE 99 -17.643 0.634 1.506 745 HG13 ILE 99 HG11 ILE 99 -16.147 0.493 2.422 746 HG21 ILE 99 HG21 ILE 99 -18.797 -2.732 1.916 747 HG22 ILE 99 HG22 ILE 99 -18.539 -1.686 0.520 748 HG23 ILE 99 HG23 ILE 99 -19.284 -1.038 1.982 749 HD11 ILE 99 HD11 ILE 99 -15.146 -0.653 0.456 750 HD12 ILE 99 HD12 ILE 99 -15.592 1.037 0.198 751 HD13 ILE 99 HD13 ILE 99 -16.614 -0.256 -0.447 752 H GLY 100 HN GLY 100 -15.075 -0.112 4.287 753 HA2 GLY 100 HA2 GLY 100 -13.443 -2.537 4.605 754 HA3 GLY 100 HA1 GLY 100 -12.825 -1.005 3.999 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 -12.882 12.201 1.268 2 H2 GLY 1 HT2 GLY 1 -11.314 12.218 1.895 3 H3 GLY 1 HT3 GLY 1 -11.736 11.094 0.704 4 HA2 GLY 1 HA1 GLY 1 -11.586 14.034 0.358 5 HA3 GLY 1 HA2 GLY 1 -10.434 12.861 -0.265 6 H SER 2 HN SER 2 -10.828 13.601 -2.398 7 HA SER 2 HA SER 2 -13.506 13.458 -3.460 8 HB2 SER 2 HB2 SER 2 -11.968 15.211 -4.224 9 HB3 SER 2 HB1 SER 2 -10.860 13.985 -4.835 10 HG SER 2 HG SER 2 -12.158 14.801 -6.504 11 H THR 3 HN THR 3 -10.442 11.916 -4.439 12 HA THR 3 HA THR 3 -11.770 9.976 -6.039 13 HB THR 3 HB THR 3 -8.920 9.866 -5.043 14 HG1 THR 3 HG1 THR 3 -8.411 11.089 -6.888 15 HG21 THR 3 HG21 THR 3 -8.512 8.626 -7.104 16 HG22 THR 3 HG22 THR 3 -10.207 8.787 -7.555 17 HG23 THR 3 HG23 THR 3 -9.758 7.827 -6.146 18 H ALA 4 HN ALA 4 -12.458 7.998 -5.541 19 HA ALA 4 HA ALA 4 -11.359 6.384 -3.464 20 HB1 ALA 4 HB1 ALA 4 -12.733 7.902 -2.072 21 HB2 ALA 4 HB2 ALA 4 -13.318 6.239 -2.021 22 HB3 ALA 4 HB3 ALA 4 -14.160 7.441 -3.002 23 H THR 5 HN THR 5 -14.293 7.007 -5.372 24 HA THR 5 HA THR 5 -15.275 4.495 -5.786 25 HB THR 5 HB THR 5 -15.011 6.543 -7.986 26 HG1 THR 5 HG1 THR 5 -16.353 7.771 -6.898 27 HG21 THR 5 HG21 THR 5 -15.952 4.372 -8.664 28 HG22 THR 5 HG22 THR 5 -17.166 5.649 -8.727 29 HG23 THR 5 HG23 THR 5 -17.161 4.502 -7.387 30 H LEU 6 HN LEU 6 -12.370 5.821 -7.061 31 HA LEU 6 HA LEU 6 -11.738 4.036 -9.076 32 HB2 LEU 6 HB2 LEU 6 -10.368 5.949 -8.716 33 HB3 LEU 6 HB1 LEU 6 -10.046 5.484 -7.058 34 HG LEU 6 HG LEU 6 -8.656 3.638 -7.805 35 HD11 LEU 6 HD11 LEU 6 -9.829 3.103 -9.887 36 HD12 LEU 6 HD12 LEU 6 -8.106 3.349 -10.170 37 HD13 LEU 6 HD13 LEU 6 -9.260 4.611 -10.600 38 HD21 LEU 6 HD21 LEU 6 -6.825 4.942 -8.706 39 HD22 LEU 6 HD22 LEU 6 -7.694 5.883 -7.490 40 HD23 LEU 6 HD23 LEU 6 -7.942 6.214 -9.203 41 H LEU 7 HN LEU 7 -10.446 3.810 -5.755 42 HA LEU 7 HA LEU 7 -9.898 1.009 -6.194 43 HB2 LEU 7 HB2 LEU 7 -8.830 3.034 -4.573 44 HB3 LEU 7 HB1 LEU 7 -9.536 1.859 -3.474 45 HG LEU 7 HG LEU 7 -7.141 1.416 -3.953 46 HD11 LEU 7 HD11 LEU 7 -7.443 -0.964 -4.227 47 HD12 LEU 7 HD12 LEU 7 -9.047 -0.709 -4.927 48 HD13 LEU 7 HD13 LEU 7 -8.751 -0.310 -3.235 49 HD21 LEU 7 HD21 LEU 7 -7.269 2.136 -6.359 50 HD22 LEU 7 HD22 LEU 7 -8.104 0.618 -6.696 51 HD23 LEU 7 HD23 LEU 7 -6.450 0.597 -6.086 52 H THR 8 HN THR 8 -12.153 2.948 -4.430 53 HA THR 8 HA THR 8 -13.154 1.088 -2.607 54 HB THR 8 HB THR 8 -14.365 3.476 -3.944 55 HG1 THR 8 HG1 THR 8 -12.823 3.967 -2.425 56 HG21 THR 8 HG21 THR 8 -15.643 1.809 -1.777 57 HG22 THR 8 HG22 THR 8 -16.242 2.011 -3.421 58 HG23 THR 8 HG23 THR 8 -16.214 3.386 -2.316 59 H SER 9 HN SER 9 -13.850 1.544 -6.005 60 HA SER 9 HA SER 9 -16.125 -0.129 -6.159 61 HB2 SER 9 HB2 SER 9 -15.689 1.408 -7.944 62 HB3 SER 9 HB1 SER 9 -14.080 0.744 -8.213 63 HG SER 9 HG SER 9 -16.610 -0.343 -8.849 64 H LYS 10 HN LYS 10 -12.697 -0.727 -6.049 65 HA LYS 10 HA LYS 10 -12.792 -3.491 -6.735 66 HB2 LYS 10 HB2 LYS 10 -10.736 -1.839 -6.543 67 HB3 LYS 10 HB1 LYS 10 -10.760 -2.315 -4.851 68 HG2 LYS 10 HG2 LYS 10 -9.765 -3.756 -7.188 69 HG3 LYS 10 HG1 LYS 10 -9.345 -3.917 -5.492 70 HD2 LYS 10 HD2 LYS 10 -10.292 -5.947 -5.811 71 HD3 LYS 10 HD1 LYS 10 -11.744 -5.033 -5.409 72 HE2 LYS 10 HE2 LYS 10 -12.357 -6.243 -7.288 73 HE3 LYS 10 HE1 LYS 10 -11.954 -4.656 -7.936 74 HZ1 LYS 10 HZ1 LYS 10 -10.148 -7.011 -7.939 75 HZ2 LYS 10 HZ2 LYS 10 -9.789 -5.486 -8.579 76 HZ3 LYS 10 HZ3 LYS 10 -11.008 -6.428 -9.273 77 H LEU 11 HN LEU 11 -12.414 -1.834 -3.607 78 HA LEU 11 HA LEU 11 -12.484 -4.151 -2.047 79 HB2 LEU 11 HB2 LEU 11 -13.313 -1.380 -1.215 80 HB3 LEU 11 HB1 LEU 11 -12.965 -2.702 -0.130 81 HG LEU 11 HG LEU 11 -10.984 -1.578 -0.022 82 HD11 LEU 11 HD11 LEU 11 -10.557 -3.236 -2.495 83 HD12 LEU 11 HD12 LEU 11 -10.601 -3.869 -0.846 84 HD13 LEU 11 HD13 LEU 11 -9.327 -2.740 -1.325 85 HD21 LEU 11 HD21 LEU 11 -11.765 0.102 -1.754 86 HD22 LEU 11 HD22 LEU 11 -11.011 -0.949 -2.963 87 HD23 LEU 11 HD23 LEU 11 -10.031 -0.217 -1.687 88 H ALA 12 HN ALA 12 -15.053 -2.241 -3.348 89 HA ALA 12 HA ALA 12 -17.234 -3.051 -1.862 90 HB1 ALA 12 HB1 ALA 12 -18.551 -2.638 -3.886 91 HB2 ALA 12 HB2 ALA 12 -17.075 -2.671 -4.855 92 HB3 ALA 12 HB3 ALA 12 -17.323 -1.391 -3.664 93 H GLY 13 HN GLY 13 -15.389 -4.806 -4.251 94 HA2 GLY 13 HA2 GLY 13 -17.315 -6.972 -4.415 95 HA3 GLY 13 HA1 GLY 13 -15.794 -6.840 -5.289 96 H LEU 14 HN LEU 14 -14.829 -6.165 -2.296 97 HA LEU 14 HA LEU 14 -14.178 -8.975 -1.751 98 HB2 LEU 14 HB2 LEU 14 -12.765 -6.442 -1.062 99 HB3 LEU 14 HB1 LEU 14 -12.309 -7.970 -0.410 100 HG LEU 14 HG LEU 14 -10.837 -7.948 -2.077 101 HD11 LEU 14 HD11 LEU 14 -12.325 -9.780 -2.639 102 HD12 LEU 14 HD12 LEU 14 -11.597 -9.069 -4.085 103 HD13 LEU 14 HD13 LEU 14 -13.273 -8.698 -3.665 104 HD21 LEU 14 HD21 LEU 14 -11.305 -5.673 -2.629 105 HD22 LEU 14 HD22 LEU 14 -12.721 -6.155 -3.565 106 HD23 LEU 14 HD23 LEU 14 -11.106 -6.612 -4.109 107 H THR 15 HN THR 15 -13.654 -9.436 0.459 108 HA THR 15 HA THR 15 -15.285 -8.032 2.445 109 HB THR 15 HB THR 15 -14.936 -9.983 3.840 110 HG1 THR 15 HG1 THR 15 -13.594 -11.733 2.949 111 HG21 THR 15 HG21 THR 15 -16.647 -10.216 2.099 112 HG22 THR 15 HG22 THR 15 -15.865 -11.764 2.416 113 HG23 THR 15 HG23 THR 15 -15.428 -10.830 0.980 114 H ALA 16 HN ALA 16 -13.981 -7.777 4.630 115 HA ALA 16 HA ALA 16 -11.955 -5.952 4.218 116 HB1 ALA 16 HB1 ALA 16 -11.387 -6.215 6.576 117 HB2 ALA 16 HB2 ALA 16 -12.282 -7.734 6.632 118 HB3 ALA 16 HB3 ALA 16 -13.135 -6.219 6.346 119 H THR 17 HN THR 17 -11.683 -9.430 4.515 120 HA THR 17 HA THR 17 -8.835 -9.425 4.734 121 HB THR 17 HB THR 17 -10.786 -11.668 4.191 122 HG1 THR 17 HG1 THR 17 -11.121 -11.337 6.262 123 HG21 THR 17 HG21 THR 17 -8.553 -12.189 3.349 124 HG22 THR 17 HG22 THR 17 -8.957 -13.175 4.756 125 HG23 THR 17 HG23 THR 17 -7.866 -11.798 4.924 126 H GLU 18 HN GLU 18 -11.118 -9.816 2.017 127 HA GLU 18 HA GLU 18 -8.969 -10.363 0.218 128 HB2 GLU 18 HB2 GLU 18 -11.835 -9.617 -0.257 129 HB3 GLU 18 HB1 GLU 18 -10.705 -10.177 -1.469 130 HG2 GLU 18 HG2 GLU 18 -10.520 -12.301 -0.305 131 HG3 GLU 18 HG1 GLU 18 -11.644 -11.719 0.917 132 H GLN 19 HN GLN 19 -10.721 -7.593 1.368 133 HA GLN 19 HA GLN 19 -9.857 -5.701 -0.521 134 HB2 GLN 19 HB2 GLN 19 -10.573 -5.418 2.391 135 HB3 GLN 19 HB1 GLN 19 -10.385 -4.069 1.282 136 HG2 GLN 19 HG2 GLN 19 -12.211 -4.836 -0.035 137 HG3 GLN 19 HG1 GLN 19 -12.335 -6.305 0.909 138 HE21 GLN 19 HE21 GLN 19 -14.370 -4.401 0.383 139 HE22 GLN 19 HE22 GLN 19 -14.877 -3.772 1.915 140 H ARG 20 HN ARG 20 -8.564 -6.667 2.628 141 HA ARG 20 HA ARG 20 -6.249 -5.102 2.548 142 HB2 ARG 20 HB2 ARG 20 -5.402 -6.489 4.260 143 HB3 ARG 20 HB1 ARG 20 -7.135 -6.346 4.493 144 HG2 ARG 20 HG2 ARG 20 -7.461 -8.445 3.369 145 HG3 ARG 20 HG1 ARG 20 -5.711 -8.610 3.241 146 HD2 ARG 20 HD2 ARG 20 -7.283 -8.425 5.795 147 HD3 ARG 20 HD1 ARG 20 -6.547 -9.888 5.148 148 HE ARG 20 HE ARG 20 -4.439 -8.243 5.357 149 HH11 ARG 20 HH11 ARG 20 -6.975 -9.085 7.618 150 HH12 ARG 20 HH12 ARG 20 -5.976 -8.866 9.018 151 HH21 ARG 20 HH21 ARG 20 -3.134 -7.911 7.194 152 HH22 ARG 20 HH22 ARG 20 -3.788 -8.181 8.775 153 H ALA 21 HN ALA 21 -7.067 -8.129 1.129 154 HA ALA 21 HA ALA 21 -4.460 -8.911 0.347 155 HB1 ALA 21 HB1 ALA 21 -6.324 -10.485 0.567 156 HB2 ALA 21 HB2 ALA 21 -5.549 -10.588 -1.015 157 HB3 ALA 21 HB3 ALA 21 -7.093 -9.751 -0.840 158 H VAL 22 HN VAL 22 -7.026 -7.203 -1.397 159 HA VAL 22 HA VAL 22 -5.748 -7.387 -3.907 160 HB VAL 22 HB VAL 22 -7.284 -5.514 -4.621 161 HG11 VAL 22 HG11 VAL 22 -7.817 -7.946 -4.786 162 HG12 VAL 22 HG12 VAL 22 -9.227 -6.896 -4.653 163 HG13 VAL 22 HG13 VAL 22 -8.669 -7.809 -3.244 164 HG21 VAL 22 HG21 VAL 22 -8.287 -5.811 -1.789 165 HG22 VAL 22 HG22 VAL 22 -9.114 -4.934 -3.077 166 HG23 VAL 22 HG23 VAL 22 -7.545 -4.377 -2.498 167 H THR 23 HN THR 23 -5.665 -4.759 -1.475 168 HA THR 23 HA THR 23 -3.715 -3.470 -3.198 169 HB THR 23 HB THR 23 -5.129 -1.927 -2.273 170 HG1 THR 23 HG1 THR 23 -3.146 -1.286 -0.543 171 HG21 THR 23 HG21 THR 23 -4.382 -2.810 0.483 172 HG22 THR 23 HG22 THR 23 -5.890 -3.246 -0.315 173 HG23 THR 23 HG23 THR 23 -5.544 -1.555 0.063 174 H ARG 24 HN ARG 24 -3.660 -5.717 -0.631 175 HA ARG 24 HA ARG 24 -0.969 -5.303 0.148 176 HB2 ARG 24 HB2 ARG 24 -2.364 -6.977 1.255 177 HB3 ARG 24 HB1 ARG 24 -2.522 -7.870 -0.247 178 HG2 ARG 24 HG2 ARG 24 0.109 -7.918 -0.073 179 HG3 ARG 24 HG1 ARG 24 -0.252 -7.724 1.645 180 HD2 ARG 24 HD2 ARG 24 -1.776 -9.655 1.497 181 HD3 ARG 24 HD1 ARG 24 -1.307 -9.855 -0.188 182 HE ARG 24 HE ARG 24 1.055 -10.035 0.942 183 HH11 ARG 24 HH11 ARG 24 -1.982 -11.422 1.979 184 HH12 ARG 24 HH12 ARG 24 -1.243 -12.806 2.717 185 HH21 ARG 24 HH21 ARG 24 2.033 -11.842 1.919 186 HH22 ARG 24 HH22 ARG 24 1.042 -13.039 2.697 187 H LYS 25 HN LYS 25 -2.513 -6.123 -2.722 188 HA LYS 25 HA LYS 25 -0.092 -6.941 -4.061 189 HB2 LYS 25 HB2 LYS 25 -1.763 -8.227 -4.914 190 HB3 LYS 25 HB1 LYS 25 -3.005 -7.063 -4.529 191 HG2 LYS 25 HG2 LYS 25 -2.865 -7.427 -6.912 192 HG3 LYS 25 HG1 LYS 25 -2.443 -5.771 -6.491 193 HD2 LYS 25 HD2 LYS 25 -0.040 -6.398 -6.669 194 HD3 LYS 25 HD1 LYS 25 -0.537 -8.006 -7.202 195 HE2 LYS 25 HE2 LYS 25 -1.614 -7.071 -9.149 196 HE3 LYS 25 HE1 LYS 25 -1.277 -5.435 -8.592 197 HZ1 LYS 25 HZ1 LYS 25 0.252 -6.325 -10.339 198 HZ2 LYS 25 HZ2 LYS 25 0.860 -7.400 -9.184 199 HZ3 LYS 25 HZ3 LYS 25 1.019 -5.729 -8.957 200 H LEU 26 HN LEU 26 -2.429 -4.224 -3.859 201 HA LEU 26 HA LEU 26 -1.261 -2.744 -5.963 202 HB2 LEU 26 HB2 LEU 26 -3.539 -2.371 -5.357 203 HB3 LEU 26 HB1 LEU 26 -3.089 -1.951 -3.721 204 HG LEU 26 HG LEU 26 -3.777 -0.077 -5.313 205 HD11 LEU 26 HD11 LEU 26 -2.719 0.067 -3.058 206 HD12 LEU 26 HD12 LEU 26 -2.477 1.459 -4.120 207 HD13 LEU 26 HD13 LEU 26 -1.179 0.286 -3.891 208 HD21 LEU 26 HD21 LEU 26 -0.958 -0.465 -6.250 209 HD22 LEU 26 HD22 LEU 26 -2.006 0.902 -6.643 210 HD23 LEU 26 HD23 LEU 26 -2.413 -0.719 -7.211 211 H VAL 27 HN VAL 27 -0.991 -2.261 -2.390 212 HA VAL 27 HA VAL 27 0.834 -0.158 -2.529 213 HB VAL 27 HB VAL 27 -0.125 -0.669 -0.375 214 HG11 VAL 27 HG11 VAL 27 0.634 -2.700 0.882 215 HG12 VAL 27 HG12 VAL 27 1.282 -3.311 -0.643 216 HG13 VAL 27 HG13 VAL 27 -0.445 -3.015 -0.477 217 HG21 VAL 27 HG21 VAL 27 2.840 -1.251 -0.310 218 HG22 VAL 27 HG22 VAL 27 1.860 -0.681 1.043 219 HG23 VAL 27 HG23 VAL 27 2.108 0.356 -0.363 220 H LEU 28 HN LEU 28 1.220 -3.555 -2.658 221 HA LEU 28 HA LEU 28 3.989 -3.835 -2.668 222 HB2 LEU 28 HB2 LEU 28 1.904 -5.495 -2.665 223 HB3 LEU 28 HB1 LEU 28 2.265 -5.546 -4.374 224 HG LEU 28 HG LEU 28 4.434 -6.472 -3.963 225 HD11 LEU 28 HD11 LEU 28 5.133 -6.963 -1.630 226 HD12 LEU 28 HD12 LEU 28 3.785 -5.956 -1.077 227 HD13 LEU 28 HD13 LEU 28 5.085 -5.246 -2.034 228 HD21 LEU 28 HD21 LEU 28 2.216 -7.724 -2.353 229 HD22 LEU 28 HD22 LEU 28 3.760 -8.526 -2.672 230 HD23 LEU 28 HD23 LEU 28 2.694 -8.099 -4.013 231 H ASP 29 HN ASP 29 1.676 -3.424 -5.258 232 HA ASP 29 HA ASP 29 3.511 -3.683 -7.401 233 HB2 ASP 29 HB2 ASP 29 0.968 -3.947 -7.453 234 HB3 ASP 29 HB1 ASP 29 0.896 -2.191 -7.492 235 H GLN 30 HN GLN 30 2.081 -0.949 -5.699 236 HA GLN 30 HA GLN 30 3.267 1.112 -7.151 237 HB2 GLN 30 HB2 GLN 30 2.638 1.001 -4.224 238 HB3 GLN 30 HB1 GLN 30 2.831 2.456 -5.187 239 HG2 GLN 30 HG2 GLN 30 0.636 0.408 -5.422 240 HG3 GLN 30 HG1 GLN 30 0.514 2.064 -4.840 241 HE21 GLN 30 HE21 GLN 30 0.867 0.020 -7.604 242 HE22 GLN 30 HE22 GLN 30 0.522 1.221 -8.802 243 H ALA 31 HN ALA 31 4.312 -0.583 -4.257 244 HA ALA 31 HA ALA 31 6.707 0.822 -3.785 245 HB1 ALA 31 HB1 ALA 31 6.052 -2.064 -3.183 246 HB2 ALA 31 HB2 ALA 31 5.591 -0.687 -2.174 247 HB3 ALA 31 HB3 ALA 31 7.297 -1.083 -2.398 248 H ALA 32 HN ALA 32 5.814 -1.754 -5.859 249 HA ALA 32 HA ALA 32 8.394 -2.616 -6.616 250 HB1 ALA 32 HB1 ALA 32 6.775 -4.164 -7.105 251 HB2 ALA 32 HB2 ALA 32 6.896 -3.372 -8.679 252 HB3 ALA 32 HB3 ALA 32 5.581 -2.941 -7.572 253 H SER 33 HN SER 33 6.029 -0.368 -7.968 254 HA SER 33 HA SER 33 7.453 0.355 -10.275 255 HB2 SER 33 HB2 SER 33 5.132 0.915 -10.057 256 HB3 SER 33 HB1 SER 33 5.431 1.820 -8.571 257 HG SER 33 HG SER 33 6.246 2.481 -11.213 258 H VAL 34 HN VAL 34 7.508 1.547 -6.981 259 HA VAL 34 HA VAL 34 9.155 3.786 -7.292 260 HB VAL 34 HB VAL 34 9.158 1.940 -4.919 261 HG11 VAL 34 HG11 VAL 34 9.488 4.088 -3.692 262 HG12 VAL 34 HG12 VAL 34 9.667 4.883 -5.256 263 HG13 VAL 34 HG13 VAL 34 10.815 3.640 -4.763 264 HG21 VAL 34 HG21 VAL 34 7.187 4.104 -5.562 265 HG22 VAL 34 HG22 VAL 34 7.307 3.226 -4.037 266 HG23 VAL 34 HG23 VAL 34 6.885 2.367 -5.513 267 H LEU 35 HN LEU 35 9.829 0.547 -6.152 268 HA LEU 35 HA LEU 35 12.558 0.936 -5.795 269 HB2 LEU 35 HB2 LEU 35 10.579 -1.150 -5.598 270 HB3 LEU 35 HB1 LEU 35 12.177 -1.768 -5.986 271 HG LEU 35 HG LEU 35 12.990 -1.289 -3.900 272 HD11 LEU 35 HD11 LEU 35 12.124 0.522 -2.440 273 HD12 LEU 35 HD12 LEU 35 11.020 0.997 -3.739 274 HD13 LEU 35 HD13 LEU 35 12.766 1.120 -3.969 275 HD21 LEU 35 HD21 LEU 35 11.024 -1.456 -2.262 276 HD22 LEU 35 HD22 LEU 35 11.289 -2.769 -3.407 277 HD23 LEU 35 HD23 LEU 35 10.030 -1.569 -3.720 278 H GLY 36 HN GLY 36 10.770 -0.263 -8.582 279 HA2 GLY 36 HA2 GLY 36 12.157 0.165 -10.681 280 HA3 GLY 36 HA1 GLY 36 13.359 -0.812 -9.855 281 H TYR 37 HN TYR 37 10.135 -1.708 -9.376 282 HA TYR 37 HA TYR 37 10.706 -4.193 -10.833 283 HB2 TYR 37 HB2 TYR 37 8.690 -3.760 -8.636 284 HB3 TYR 37 HB1 TYR 37 9.315 -5.286 -9.225 285 HD1 TYR 37 HD1 TYR 37 9.240 -4.299 -6.314 286 HD2 TYR 37 HD2 TYR 37 12.218 -4.193 -9.331 287 HE1 TYR 37 HE1 TYR 37 10.971 -4.260 -4.581 288 HE2 TYR 37 HE2 TYR 37 13.959 -4.134 -7.632 289 HH TYR 37 HH TYR 37 14.258 -3.551 -5.278 290 H ALA 38 HN ALA 38 8.779 -5.343 -11.686 291 HA ALA 38 HA ALA 38 6.703 -3.476 -12.633 292 HB1 ALA 38 HB1 ALA 38 6.833 -4.418 -14.856 293 HB2 ALA 38 HB2 ALA 38 8.093 -5.537 -14.334 294 HB3 ALA 38 HB3 ALA 38 8.415 -3.803 -14.377 295 H SER 39 HN SER 39 7.355 -6.246 -10.984 296 HA SER 39 HA SER 39 4.644 -7.207 -11.255 297 HB2 SER 39 HB2 SER 39 5.837 -8.349 -13.101 298 HB3 SER 39 HB1 SER 39 6.998 -8.990 -11.944 299 HG SER 39 HG SER 39 5.323 -10.169 -10.980 300 H THR 40 HN THR 40 6.336 -5.996 -9.247 301 HA THR 40 HA THR 40 7.112 -6.182 -7.120 302 HB THR 40 HB THR 40 5.665 -7.453 -5.568 303 HG1 THR 40 HG1 THR 40 5.064 -8.842 -7.786 304 HG21 THR 40 HG21 THR 40 5.015 -5.217 -6.176 305 HG22 THR 40 HG22 THR 40 3.567 -6.226 -6.116 306 HG23 THR 40 HG23 THR 40 4.281 -5.799 -7.672 307 H GLU 41 HN GLU 41 8.579 -7.704 -8.895 308 HA GLU 41 HA GLU 41 8.829 -10.414 -8.266 309 HB2 GLU 41 HB2 GLU 41 11.085 -10.181 -9.420 310 HB3 GLU 41 HB1 GLU 41 9.659 -9.731 -10.342 311 HG2 GLU 41 HG2 GLU 41 11.019 -7.570 -8.854 312 HG3 GLU 41 HG1 GLU 41 11.855 -8.236 -10.256 313 H SER 42 HN SER 42 10.543 -7.629 -6.902 314 HA SER 42 HA SER 42 11.994 -9.524 -5.186 315 HB2 SER 42 HB2 SER 42 12.907 -6.744 -5.942 316 HB3 SER 42 HB1 SER 42 13.846 -7.993 -5.121 317 HG SER 42 HG SER 42 14.117 -7.670 -7.515 318 H LEU 43 HN LEU 43 9.401 -8.530 -4.584 319 HA LEU 43 HA LEU 43 9.972 -6.824 -2.268 320 HB2 LEU 43 HB2 LEU 43 7.457 -7.365 -3.807 321 HB3 LEU 43 HB1 LEU 43 7.488 -6.467 -2.299 322 HG LEU 43 HG LEU 43 9.068 -5.659 -4.730 323 HD11 LEU 43 HD11 LEU 43 6.706 -5.632 -5.247 324 HD12 LEU 43 HD12 LEU 43 7.339 -3.992 -5.100 325 HD13 LEU 43 HD13 LEU 43 6.384 -4.691 -3.793 326 HD21 LEU 43 HD21 LEU 43 9.899 -4.811 -2.621 327 HD22 LEU 43 HD22 LEU 43 8.287 -4.225 -2.207 328 HD23 LEU 43 HD23 LEU 43 9.163 -3.515 -3.562 329 H ASP 44 HN ASP 44 8.318 -7.157 -0.491 330 HA ASP 44 HA ASP 44 7.380 -9.875 -0.122 331 HB2 ASP 44 HB2 ASP 44 9.816 -9.353 0.938 332 HB3 ASP 44 HB1 ASP 44 8.794 -8.718 2.217 333 H THR 45 HN THR 45 5.603 -9.925 1.274 334 HA THR 45 HA THR 45 4.634 -7.293 2.107 335 HB THR 45 HB THR 45 2.479 -8.595 2.553 336 HG1 THR 45 HG1 THR 45 3.406 -10.469 0.681 337 HG21 THR 45 HG21 THR 45 1.862 -8.569 0.164 338 HG22 THR 45 HG22 THR 45 3.561 -8.331 -0.245 339 HG23 THR 45 HG23 THR 45 2.694 -7.106 0.679 340 H HIS 46 HN HIS 46 6.236 -9.948 3.322 341 HA HIS 46 HA HIS 46 5.107 -9.634 6.014 342 HB2 HIS 46 HB2 HIS 46 7.100 -11.679 5.001 343 HB3 HIS 46 HB1 HIS 46 6.367 -11.656 6.594 344 HD1 HIS 46 HD1 HIS 46 4.675 -13.444 6.760 345 HD2 HIS 46 HD2 HIS 46 4.756 -11.728 2.987 346 HE1 HIS 46 HE1 HIS 46 2.943 -14.681 5.425 347 HE2 HIS 46 HE2 HIS 46 3.161 -13.765 3.090 348 H GLU 47 HN GLU 47 7.463 -8.326 4.129 349 HA GLU 47 HA GLU 47 9.230 -7.848 6.424 350 HB2 GLU 47 HB2 GLU 47 11.038 -8.383 5.221 351 HB3 GLU 47 HB1 GLU 47 9.925 -9.136 4.098 352 HG2 GLU 47 HG2 GLU 47 9.871 -7.011 2.809 353 HG3 GLU 47 HG1 GLU 47 11.108 -6.374 3.903 354 H SER 48 HN SER 48 10.191 -5.733 6.498 355 HA SER 48 HA SER 48 8.071 -3.848 5.921 356 HB2 SER 48 HB2 SER 48 10.614 -3.215 7.399 357 HB3 SER 48 HB1 SER 48 9.015 -2.499 7.582 358 HG SER 48 HG SER 48 8.431 -4.803 8.205 359 H PHE 49 HN PHE 49 8.297 -1.924 4.864 360 HA PHE 49 HA PHE 49 9.670 -1.830 2.484 361 HB2 PHE 49 HB2 PHE 49 8.711 0.501 4.134 362 HB3 PHE 49 HB1 PHE 49 9.163 0.586 2.437 363 HD1 PHE 49 HD1 PHE 49 7.724 -0.322 0.726 364 HD2 PHE 49 HD2 PHE 49 6.681 -0.569 4.836 365 HE1 PHE 49 HE1 PHE 49 5.408 -0.869 0.104 366 HE2 PHE 49 HE2 PHE 49 4.377 -1.112 4.225 367 HZ PHE 49 HZ PHE 49 3.732 -1.263 1.865 368 H LYS 50 HN LYS 50 10.727 -0.746 5.607 369 HA LYS 50 HA LYS 50 13.042 0.567 5.151 370 HB2 LYS 50 HB2 LYS 50 12.025 -0.305 7.329 371 HB3 LYS 50 HB1 LYS 50 12.888 -1.796 6.999 372 HG2 LYS 50 HG2 LYS 50 14.108 -0.405 8.551 373 HG3 LYS 50 HG1 LYS 50 15.003 -0.618 7.050 374 HD2 LYS 50 HD2 LYS 50 15.163 1.686 7.805 375 HD3 LYS 50 HD1 LYS 50 14.241 1.603 6.305 376 HE2 LYS 50 HE2 LYS 50 13.179 3.133 7.858 377 HE3 LYS 50 HE1 LYS 50 12.154 1.724 7.600 378 HZ1 LYS 50 HZ1 LYS 50 13.913 2.202 9.943 379 HZ2 LYS 50 HZ2 LYS 50 12.988 0.811 9.694 380 HZ3 LYS 50 HZ3 LYS 50 12.224 2.300 9.923 381 H ASP 51 HN ASP 51 12.648 -2.934 5.131 382 HA ASP 51 HA ASP 51 15.289 -3.478 4.232 383 HB2 ASP 51 HB2 ASP 51 13.782 -5.065 5.495 384 HB3 ASP 51 HB1 ASP 51 12.923 -5.313 3.981 385 H LEU 52 HN LEU 52 12.286 -2.815 2.659 386 HA LEU 52 HA LEU 52 12.941 -3.802 0.082 387 HB2 LEU 52 HB2 LEU 52 10.882 -1.920 1.156 388 HB3 LEU 52 HB1 LEU 52 11.067 -2.118 -0.559 389 HG LEU 52 HG LEU 52 10.528 -4.508 -0.360 390 HD11 LEU 52 HD11 LEU 52 9.635 -5.342 1.777 391 HD12 LEU 52 HD12 LEU 52 10.188 -3.856 2.548 392 HD13 LEU 52 HD13 LEU 52 11.357 -4.970 1.838 393 HD21 LEU 52 HD21 LEU 52 8.185 -4.287 0.331 394 HD22 LEU 52 HD22 LEU 52 8.696 -2.996 -0.763 395 HD23 LEU 52 HD23 LEU 52 8.542 -2.681 0.966 396 H GLY 53 HN GLY 53 13.766 -1.035 1.877 397 HA2 GLY 53 HA2 GLY 53 15.730 0.138 1.210 398 HA3 GLY 53 HA1 GLY 53 15.229 -0.028 -0.459 399 H PHE 54 HN PHE 54 12.616 0.803 1.565 400 HA PHE 54 HA PHE 54 12.498 3.367 0.338 401 HB2 PHE 54 HB2 PHE 54 10.738 2.039 2.401 402 HB3 PHE 54 HB1 PHE 54 10.435 3.643 1.744 403 HD1 PHE 54 HD1 PHE 54 9.645 3.949 -0.487 404 HD2 PHE 54 HD2 PHE 54 10.604 0.085 0.984 405 HE1 PHE 54 HE1 PHE 54 8.476 2.949 -2.391 406 HE2 PHE 54 HE2 PHE 54 9.453 -0.939 -0.910 407 HZ PHE 54 HZ PHE 54 8.484 0.541 -2.716 408 H ASP 55 HN ASP 55 12.183 5.376 1.460 409 HA ASP 55 HA ASP 55 13.250 5.824 4.056 410 HB2 ASP 55 HB2 ASP 55 15.308 5.287 2.548 411 HB3 ASP 55 HB1 ASP 55 15.002 6.868 1.836 412 H SER 56 HN SER 56 14.210 8.480 3.511 413 HA SER 56 HA SER 56 11.687 9.829 3.264 414 HB2 SER 56 HB2 SER 56 13.160 11.883 3.587 415 HB3 SER 56 HB1 SER 56 13.208 10.688 4.883 416 HG SER 56 HG SER 56 15.149 9.876 3.953 417 H LEU 57 HN LEU 57 12.425 8.472 0.929 418 HA LEU 57 HA LEU 57 12.401 10.601 -1.048 419 HB2 LEU 57 HB2 LEU 57 14.098 8.134 -1.235 420 HB3 LEU 57 HB1 LEU 57 14.039 9.437 -2.403 421 HG LEU 57 HG LEU 57 15.018 9.769 0.423 422 HD11 LEU 57 HD11 LEU 57 17.282 9.684 -0.513 423 HD12 LEU 57 HD12 LEU 57 16.610 9.250 -2.084 424 HD13 LEU 57 HD13 LEU 57 16.427 8.155 -0.714 425 HD21 LEU 57 HD21 LEU 57 14.289 11.817 -0.650 426 HD22 LEU 57 HD22 LEU 57 15.306 11.472 -2.050 427 HD23 LEU 57 HD23 LEU 57 16.045 11.807 -0.484 428 H THR 58 HN THR 58 12.672 7.089 -0.974 429 HA THR 58 HA THR 58 10.874 6.720 -3.127 430 HB THR 58 HB THR 58 11.098 4.255 -2.310 431 HG1 THR 58 HG1 THR 58 13.421 4.610 -1.114 432 HG21 THR 58 HG21 THR 58 12.266 5.194 -4.248 433 HG22 THR 58 HG22 THR 58 13.305 4.090 -3.347 434 HG23 THR 58 HG23 THR 58 13.517 5.833 -3.185 435 H ALA 59 HN ALA 59 10.598 6.278 0.376 436 HA ALA 59 HA ALA 59 8.065 5.157 0.465 437 HB1 ALA 59 HB1 ALA 59 7.922 5.985 2.733 438 HB2 ALA 59 HB2 ALA 59 9.173 7.189 2.413 439 HB3 ALA 59 HB3 ALA 59 9.586 5.476 2.426 440 H LEU 60 HN LEU 60 9.139 8.432 -0.015 441 HA LEU 60 HA LEU 60 6.670 9.724 0.370 442 HB2 LEU 60 HB2 LEU 60 9.150 10.490 -1.153 443 HB3 LEU 60 HB1 LEU 60 7.770 11.562 -0.993 444 HG LEU 60 HG LEU 60 9.560 12.110 0.616 445 HD11 LEU 60 HD11 LEU 60 7.101 11.001 1.939 446 HD12 LEU 60 HD12 LEU 60 7.234 12.592 1.189 447 HD13 LEU 60 HD13 LEU 60 8.201 12.199 2.612 448 HD21 LEU 60 HD21 LEU 60 8.988 9.377 1.738 449 HD22 LEU 60 HD22 LEU 60 9.975 10.615 2.515 450 HD23 LEU 60 HD23 LEU 60 10.495 9.906 0.986 451 H GLU 61 HN GLU 61 8.297 8.605 -2.601 452 HA GLU 61 HA GLU 61 6.067 9.384 -4.229 453 HB2 GLU 61 HB2 GLU 61 7.230 7.828 -5.940 454 HB3 GLU 61 HB1 GLU 61 8.037 9.321 -5.462 455 HG2 GLU 61 HG2 GLU 61 9.401 8.033 -3.874 456 HG3 GLU 61 HG1 GLU 61 8.618 6.558 -4.433 457 H LEU 62 HN LEU 62 6.992 6.455 -2.544 458 HA LEU 62 HA LEU 62 5.015 4.767 -3.694 459 HB2 LEU 62 HB2 LEU 62 6.792 3.816 -2.379 460 HB3 LEU 62 HB1 LEU 62 6.286 4.727 -0.971 461 HG LEU 62 HG LEU 62 4.177 3.486 -0.910 462 HD11 LEU 62 HD11 LEU 62 5.341 2.009 -3.248 463 HD12 LEU 62 HD12 LEU 62 3.896 3.020 -3.239 464 HD13 LEU 62 HD13 LEU 62 3.921 1.502 -2.336 465 HD21 LEU 62 HD21 LEU 62 6.523 1.626 -1.072 466 HD22 LEU 62 HD22 LEU 62 5.063 1.444 -0.095 467 HD23 LEU 62 HD23 LEU 62 6.221 2.725 0.273 468 H ARG 63 HN ARG 63 5.079 6.735 -0.769 469 HA ARG 63 HA ARG 63 2.487 6.292 0.148 470 HB2 ARG 63 HB2 ARG 63 3.981 7.455 1.564 471 HB3 ARG 63 HB1 ARG 63 4.437 8.593 0.309 472 HG2 ARG 63 HG2 ARG 63 1.636 8.596 1.323 473 HG3 ARG 63 HG1 ARG 63 2.914 9.320 2.297 474 HD2 ARG 63 HD2 ARG 63 2.148 10.063 -0.524 475 HD3 ARG 63 HD1 ARG 63 1.846 11.005 0.929 476 HE ARG 63 HE ARG 63 4.567 10.453 -0.085 477 HH11 ARG 63 HH11 ARG 63 2.199 12.602 1.355 478 HH12 ARG 63 HH12 ARG 63 3.225 13.995 1.267 479 HH21 ARG 63 HH21 ARG 63 5.904 12.314 -0.224 480 HH22 ARG 63 HH22 ARG 63 5.332 13.829 0.397 481 H ASP 64 HN ASP 64 3.852 8.606 -2.123 482 HA ASP 64 HA ASP 64 1.547 9.944 -2.881 483 HB2 ASP 64 HB2 ASP 64 4.053 10.342 -3.471 484 HB3 ASP 64 HB1 ASP 64 3.692 9.320 -4.857 485 H HIS 65 HN HIS 65 2.975 6.945 -4.061 486 HA HIS 65 HA HIS 65 1.239 6.462 -6.205 487 HB2 HIS 65 HB2 HIS 65 2.802 4.600 -4.457 488 HB3 HIS 65 HB1 HIS 65 1.887 4.057 -5.842 489 HD1 HIS 65 HD1 HIS 65 2.896 6.708 -7.554 490 HD2 HIS 65 HD2 HIS 65 5.139 3.824 -5.614 491 HE1 HIS 65 HE1 HIS 65 5.171 6.734 -8.659 492 HE2 HIS 65 HE2 HIS 65 6.464 4.913 -7.540 493 H LEU 66 HN LEU 66 1.009 5.504 -2.768 494 HA LEU 66 HA LEU 66 -1.161 3.735 -3.151 495 HB2 LEU 66 HB2 LEU 66 -0.025 5.177 -0.804 496 HB3 LEU 66 HB1 LEU 66 -1.520 4.290 -0.633 497 HG LEU 66 HG LEU 66 -0.492 2.237 -0.783 498 HD11 LEU 66 HD11 LEU 66 1.667 1.813 -1.845 499 HD12 LEU 66 HD12 LEU 66 1.803 3.525 -2.249 500 HD13 LEU 66 HD13 LEU 66 0.527 2.546 -2.971 501 HD21 LEU 66 HD21 LEU 66 1.653 4.076 0.243 502 HD22 LEU 66 HD22 LEU 66 1.617 2.329 0.483 503 HD23 LEU 66 HD23 LEU 66 0.351 3.342 1.177 504 H GLN 67 HN GLN 67 -0.994 7.144 -2.416 505 HA GLN 67 HA GLN 67 -3.804 7.479 -1.949 506 HB2 GLN 67 HB2 GLN 67 -1.912 9.647 -2.797 507 HB3 GLN 67 HB1 GLN 67 -3.339 9.781 -1.774 508 HG2 GLN 67 HG2 GLN 67 -2.289 8.823 0.042 509 HG3 GLN 67 HG1 GLN 67 -1.051 8.079 -0.977 510 HE21 GLN 67 HE21 GLN 67 -0.419 10.356 -2.491 511 HE22 GLN 67 HE22 GLN 67 0.415 11.453 -1.468 512 H THR 68 HN THR 68 -1.631 7.810 -4.680 513 HA THR 68 HA THR 68 -3.477 8.826 -6.512 514 HB THR 68 HB THR 68 -0.861 7.419 -6.530 515 HG1 THR 68 HG1 THR 68 -0.599 9.545 -6.331 516 HG21 THR 68 HG21 THR 68 -0.739 7.505 -8.978 517 HG22 THR 68 HG22 THR 68 -2.434 7.987 -9.039 518 HG23 THR 68 HG23 THR 68 -1.990 6.398 -8.417 519 H ALA 69 HN ALA 69 -2.314 5.633 -5.778 520 HA ALA 69 HA ALA 69 -3.880 4.087 -7.425 521 HB1 ALA 69 HB1 ALA 69 -1.954 3.277 -6.223 522 HB2 ALA 69 HB2 ALA 69 -3.364 2.273 -5.873 523 HB3 ALA 69 HB3 ALA 69 -2.811 3.466 -4.695 524 H THR 70 HN THR 70 -4.545 5.004 -4.041 525 HA THR 70 HA THR 70 -7.087 3.572 -4.173 526 HB THR 70 HB THR 70 -7.228 3.956 -1.765 527 HG1 THR 70 HG1 THR 70 -4.710 5.255 -1.843 528 HG21 THR 70 HG21 THR 70 -5.821 2.101 -2.601 529 HG22 THR 70 HG22 THR 70 -5.254 2.742 -1.059 530 HG23 THR 70 HG23 THR 70 -4.423 3.181 -2.553 531 H GLY 71 HN GLY 71 -5.843 6.806 -3.900 532 HA2 GLY 71 HA2 GLY 71 -7.003 8.774 -4.453 533 HA3 GLY 71 HA1 GLY 71 -8.524 7.898 -4.305 534 H LEU 72 HN LEU 72 -6.676 7.045 -1.757 535 HA LEU 72 HA LEU 72 -8.326 8.691 -0.004 536 HB2 LEU 72 HB2 LEU 72 -6.777 6.142 0.328 537 HB3 LEU 72 HB1 LEU 72 -7.330 7.039 1.726 538 HG LEU 72 HG LEU 72 -8.815 5.149 1.111 539 HD11 LEU 72 HD11 LEU 72 -9.714 7.023 2.357 540 HD12 LEU 72 HD12 LEU 72 -10.920 6.370 1.251 541 HD13 LEU 72 HD13 LEU 72 -10.080 7.870 0.854 542 HD21 LEU 72 HD21 LEU 72 -10.270 5.313 -0.831 543 HD22 LEU 72 HD22 LEU 72 -8.578 5.215 -1.309 544 HD23 LEU 72 HD23 LEU 72 -9.418 6.764 -1.358 545 H ASN 73 HN ASN 73 -6.828 8.773 2.301 546 HA ASN 73 HA ASN 73 -4.749 10.661 1.414 547 HB2 ASN 73 HB2 ASN 73 -6.808 11.746 2.297 548 HB3 ASN 73 HB1 ASN 73 -6.548 10.925 3.831 549 HD21 ASN 73 HD21 ASN 73 -3.960 12.245 1.859 550 HD22 ASN 73 HD22 ASN 73 -3.534 13.513 2.950 551 H LEU 74 HN LEU 74 -2.966 9.410 1.716 552 HA LEU 74 HA LEU 74 -2.588 8.154 4.313 553 HB2 LEU 74 HB2 LEU 74 -1.045 7.848 1.743 554 HB3 LEU 74 HB1 LEU 74 -0.673 7.016 3.244 555 HG LEU 74 HG LEU 74 -3.151 6.166 3.032 556 HD11 LEU 74 HD11 LEU 74 -3.877 5.817 0.745 557 HD12 LEU 74 HD12 LEU 74 -2.459 6.679 0.138 558 HD13 LEU 74 HD13 LEU 74 -3.693 7.546 1.052 559 HD21 LEU 74 HD21 LEU 74 -2.275 4.265 1.660 560 HD22 LEU 74 HD22 LEU 74 -1.336 4.671 3.094 561 HD23 LEU 74 HD23 LEU 74 -0.774 5.172 1.499 562 H SER 75 HN SER 75 0.406 8.236 4.139 563 HA SER 75 HA SER 75 0.749 11.058 4.845 564 HB2 SER 75 HB2 SER 75 -0.169 9.992 6.859 565 HB3 SER 75 HB1 SER 75 1.131 8.805 6.828 566 HG SER 75 HG SER 75 1.787 10.350 8.235 567 H SER 76 HN SER 76 3.055 11.584 5.438 568 HA SER 76 HA SER 76 4.743 10.661 3.407 569 HB2 SER 76 HB2 SER 76 5.521 12.070 5.967 570 HB3 SER 76 HB1 SER 76 6.494 11.975 4.498 571 HG SER 76 HG SER 76 5.350 13.521 3.656 572 H THR 77 HN THR 77 4.592 9.719 6.817 573 HA THR 77 HA THR 77 6.806 7.822 6.410 574 HB THR 77 HB THR 77 6.543 7.627 8.994 575 HG1 THR 77 HG1 THR 77 4.769 8.789 9.481 576 HG21 THR 77 HG21 THR 77 8.011 9.586 9.298 577 HG22 THR 77 HG22 THR 77 7.588 10.129 7.673 578 HG23 THR 77 HG23 THR 77 8.468 8.618 7.894 579 H LEU 78 HN LEU 78 4.210 7.527 5.389 580 HA LEU 78 HA LEU 78 2.344 6.046 6.741 581 HB2 LEU 78 HB2 LEU 78 2.180 7.085 4.506 582 HB3 LEU 78 HB1 LEU 78 3.206 5.828 3.875 583 HG LEU 78 HG LEU 78 0.589 5.803 3.609 584 HD11 LEU 78 HD11 LEU 78 0.749 3.341 3.362 585 HD12 LEU 78 HD12 LEU 78 2.381 3.440 4.027 586 HD13 LEU 78 HD13 LEU 78 1.988 4.269 2.506 587 HD21 LEU 78 HD21 LEU 78 1.099 4.686 6.325 588 HD22 LEU 78 HD22 LEU 78 -0.198 4.030 5.320 589 HD23 LEU 78 HD23 LEU 78 -0.202 5.740 5.755 590 H ILE 79 HN ILE 79 4.854 4.695 4.610 591 HA ILE 79 HA ILE 79 4.299 1.993 5.407 592 HB ILE 79 HB ILE 79 6.124 1.400 3.946 593 HG12 ILE 79 HG12 ILE 79 6.734 4.345 3.991 594 HG13 ILE 79 HG11 ILE 79 7.796 3.017 4.448 595 HG21 ILE 79 HG21 ILE 79 4.040 1.934 2.868 596 HG22 ILE 79 HG22 ILE 79 5.395 2.494 1.884 597 HG23 ILE 79 HG23 ILE 79 4.462 3.650 2.841 598 HD11 ILE 79 HD11 ILE 79 8.520 3.778 2.351 599 HD12 ILE 79 HD12 ILE 79 6.874 3.815 1.722 600 HD13 ILE 79 HD13 ILE 79 7.662 2.266 2.051 601 H PHE 80 HN PHE 80 5.713 4.258 7.180 602 HA PHE 80 HA PHE 80 7.544 2.320 8.411 603 HB2 PHE 80 HB2 PHE 80 7.673 5.343 8.436 604 HB3 PHE 80 HB1 PHE 80 8.753 4.287 9.339 605 HD1 PHE 80 HD1 PHE 80 9.033 6.377 6.859 606 HD2 PHE 80 HD2 PHE 80 9.262 2.156 7.378 607 HE1 PHE 80 HE1 PHE 80 10.539 6.236 4.919 608 HE2 PHE 80 HE2 PHE 80 10.759 1.999 5.437 609 HZ PHE 80 HZ PHE 80 11.305 4.006 4.132 610 H ASP 81 HN ASP 81 4.740 4.145 8.607 611 HA ASP 81 HA ASP 81 4.356 3.865 11.446 612 HB2 ASP 81 HB2 ASP 81 3.195 5.546 9.739 613 HB3 ASP 81 HB1 ASP 81 2.119 4.183 9.517 614 H HIS 82 HN HIS 82 3.563 2.358 8.453 615 HA HIS 82 HA HIS 82 2.613 -0.053 9.818 616 HB2 HIS 82 HB2 HIS 82 1.796 0.907 7.069 617 HB3 HIS 82 HB1 HIS 82 1.077 -0.395 8.003 618 HD1 HIS 82 HD1 HIS 82 -0.467 0.287 10.003 619 HD2 HIS 82 HD2 HIS 82 0.966 3.463 7.730 620 HE1 HIS 82 HE1 HIS 82 -1.757 2.299 10.769 621 HE2 HIS 82 HE2 HIS 82 -0.697 4.235 9.563 622 HA PRO 83 HA PRO 83 6.630 -0.900 8.385 623 HB2 PRO 83 HB2 PRO 83 6.723 -3.565 9.061 624 HB3 PRO 83 HB1 PRO 83 6.935 -2.237 10.209 625 HG2 PRO 83 HG2 PRO 83 4.481 -3.850 9.605 626 HG3 PRO 83 HG1 PRO 83 5.114 -3.319 11.177 627 HD2 PRO 83 HD2 PRO 83 3.076 -2.039 9.987 628 HD3 PRO 83 HD1 PRO 83 4.302 -1.159 10.906 629 H THR 84 HN THR 84 4.077 -3.145 7.341 630 HA THR 84 HA THR 84 5.759 -3.785 5.031 631 HB THR 84 HB THR 84 4.700 -5.988 4.992 632 HG1 THR 84 HG1 THR 84 3.650 -6.236 7.367 633 HG21 THR 84 HG21 THR 84 6.802 -5.683 6.244 634 HG22 THR 84 HG22 THR 84 5.789 -6.944 6.951 635 HG23 THR 84 HG23 THR 84 5.870 -5.349 7.704 636 HA PRO 85 HA PRO 85 2.442 -2.596 2.327 637 HB2 PRO 85 HB2 PRO 85 2.758 -5.221 1.000 638 HB3 PRO 85 HB1 PRO 85 2.884 -3.603 0.313 639 HG2 PRO 85 HG2 PRO 85 5.046 -5.148 0.721 640 HG3 PRO 85 HG1 PRO 85 5.097 -3.382 0.881 641 HD2 PRO 85 HD2 PRO 85 5.056 -5.471 2.993 642 HD3 PRO 85 HD1 PRO 85 5.850 -3.889 2.986 643 H HIS 86 HN HIS 86 2.599 -5.463 4.105 644 HA HIS 86 HA HIS 86 -0.118 -6.333 3.760 645 HB2 HIS 86 HB2 HIS 86 1.176 -8.077 4.502 646 HB3 HIS 86 HB1 HIS 86 2.225 -7.042 5.440 647 HD1 HIS 86 HD1 HIS 86 -0.443 -9.470 5.810 648 HD2 HIS 86 HD2 HIS 86 1.000 -6.241 7.994 649 HE1 HIS 86 HE1 HIS 86 -1.310 -9.795 8.145 650 HE2 HIS 86 HE2 HIS 86 -0.274 -7.931 9.487 651 H ALA 87 HN ALA 87 1.719 -4.499 6.118 652 HA ALA 87 HA ALA 87 -0.486 -4.003 7.870 653 HB1 ALA 87 HB1 ALA 87 1.847 -4.065 8.660 654 HB2 ALA 87 HB2 ALA 87 1.057 -2.539 9.052 655 HB3 ALA 87 HB3 ALA 87 2.191 -2.621 7.704 656 H VAL 88 HN VAL 88 0.783 -2.632 5.073 657 HA VAL 88 HA VAL 88 -0.395 -0.012 5.478 658 HB VAL 88 HB VAL 88 1.101 -1.259 3.192 659 HG11 VAL 88 HG11 VAL 88 -0.023 1.511 3.441 660 HG12 VAL 88 HG12 VAL 88 -0.441 0.283 2.246 661 HG13 VAL 88 HG13 VAL 88 1.160 1.025 2.226 662 HG21 VAL 88 HG21 VAL 88 2.864 0.344 3.795 663 HG22 VAL 88 HG22 VAL 88 2.494 -0.777 5.107 664 HG23 VAL 88 HG23 VAL 88 1.883 0.882 5.160 665 H ALA 89 HN ALA 89 -0.831 -2.822 3.373 666 HA ALA 89 HA ALA 89 -2.985 -1.782 1.922 667 HB1 ALA 89 HB1 ALA 89 -1.840 -3.737 1.149 668 HB2 ALA 89 HB2 ALA 89 -3.540 -4.129 1.400 669 HB3 ALA 89 HB3 ALA 89 -2.329 -4.646 2.580 670 H GLU 90 HN GLU 90 -2.906 -3.533 5.056 671 HA GLU 90 HA GLU 90 -5.775 -3.591 5.212 672 HB2 GLU 90 HB2 GLU 90 -5.375 -4.168 7.607 673 HB3 GLU 90 HB1 GLU 90 -4.540 -5.221 6.469 674 HG2 GLU 90 HG2 GLU 90 -2.472 -4.125 6.863 675 HG3 GLU 90 HG1 GLU 90 -3.247 -2.877 7.831 676 H HIS 91 HN HIS 91 -3.232 -1.409 6.113 677 HA HIS 91 HA HIS 91 -4.729 0.402 7.622 678 HB2 HIS 91 HB2 HIS 91 -2.380 0.617 7.721 679 HB3 HIS 91 HB1 HIS 91 -2.233 0.691 5.961 680 HD1 HIS 91 HD1 HIS 91 -3.632 2.784 8.831 681 HD2 HIS 91 HD2 HIS 91 -2.209 3.163 4.945 682 HE1 HIS 91 HE1 HIS 91 -3.540 5.259 8.391 683 HE2 HIS 91 HE2 HIS 91 -2.523 5.479 6.098 684 H LEU 92 HN LEU 92 -4.579 -0.245 4.240 685 HA LEU 92 HA LEU 92 -5.730 2.236 3.442 686 HB2 LEU 92 HB2 LEU 92 -4.956 -0.295 2.115 687 HB3 LEU 92 HB1 LEU 92 -6.229 0.644 1.341 688 HG LEU 92 HG LEU 92 -4.819 2.454 0.919 689 HD11 LEU 92 HD11 LEU 92 -3.814 2.962 2.957 690 HD12 LEU 92 HD12 LEU 92 -2.455 2.473 1.938 691 HD13 LEU 92 HD13 LEU 92 -3.119 1.348 3.120 692 HD21 LEU 92 HD21 LEU 92 -4.248 0.530 -0.455 693 HD22 LEU 92 HD22 LEU 92 -3.056 0.028 0.745 694 HD23 LEU 92 HD23 LEU 92 -2.836 1.538 -0.141 695 H LEU 93 HN LEU 93 -6.917 -0.564 4.873 696 HA LEU 93 HA LEU 93 -9.624 -0.434 3.893 697 HB2 LEU 93 HB2 LEU 93 -8.382 -1.806 6.254 698 HB3 LEU 93 HB1 LEU 93 -10.108 -1.827 5.969 699 HG LEU 93 HG LEU 93 -9.914 -3.246 4.130 700 HD11 LEU 93 HD11 LEU 93 -8.216 -2.047 2.886 701 HD12 LEU 93 HD12 LEU 93 -7.788 -3.755 3.004 702 HD13 LEU 93 HD13 LEU 93 -6.977 -2.564 4.031 703 HD21 LEU 93 HD21 LEU 93 -9.367 -4.320 6.271 704 HD22 LEU 93 HD22 LEU 93 -7.655 -4.019 5.963 705 HD23 LEU 93 HD23 LEU 93 -8.568 -5.099 4.905 706 H GLU 94 HN GLU 94 -7.735 0.829 6.453 707 HA GLU 94 HA GLU 94 -9.651 1.897 8.175 708 HB2 GLU 94 HB2 GLU 94 -6.879 2.727 7.371 709 HB3 GLU 94 HB1 GLU 94 -7.781 3.620 8.598 710 HG2 GLU 94 HG2 GLU 94 -7.007 0.710 8.712 711 HG3 GLU 94 HG1 GLU 94 -6.223 2.027 9.583 712 H GLN 95 HN GLN 95 -8.497 2.908 5.065 713 HA GLN 95 HA GLN 95 -9.541 5.584 5.231 714 HB2 GLN 95 HB2 GLN 95 -8.602 4.191 2.747 715 HB3 GLN 95 HB1 GLN 95 -8.435 5.884 3.190 716 HG2 GLN 95 HG2 GLN 95 -7.017 3.662 4.618 717 HG3 GLN 95 HG1 GLN 95 -6.332 4.522 3.249 718 HE21 GLN 95 HE21 GLN 95 -5.551 4.296 6.064 719 HE22 GLN 95 HE22 GLN 95 -5.402 5.920 6.640 720 H ILE 96 HN ILE 96 -10.580 2.481 4.237 721 HA ILE 96 HA ILE 96 -12.233 3.208 2.057 722 HB ILE 96 HB ILE 96 -12.118 0.700 3.708 723 HG12 ILE 96 HG12 ILE 96 -10.007 1.479 2.688 724 HG13 ILE 96 HG11 ILE 96 -10.540 -0.070 2.084 725 HG21 ILE 96 HG21 ILE 96 -13.106 0.965 0.893 726 HG22 ILE 96 HG22 ILE 96 -14.168 0.931 2.299 727 HG23 ILE 96 HG23 ILE 96 -13.153 -0.462 1.927 728 HD11 ILE 96 HD11 ILE 96 -9.629 1.516 0.372 729 HD12 ILE 96 HD12 ILE 96 -11.050 2.528 0.662 730 HD13 ILE 96 HD13 ILE 96 -11.244 0.895 0.023 731 HA PRO 97 HA PRO 97 -15.778 4.649 4.102 732 HB2 PRO 97 HB2 PRO 97 -17.502 4.579 2.069 733 HB3 PRO 97 HB1 PRO 97 -16.078 5.630 2.032 734 HG2 PRO 97 HG2 PRO 97 -16.429 2.909 0.824 735 HG3 PRO 97 HG1 PRO 97 -15.823 4.381 0.057 736 HD2 PRO 97 HD2 PRO 97 -14.175 2.497 1.023 737 HD3 PRO 97 HD1 PRO 97 -13.774 4.213 1.082 738 H GLY 98 HN GLY 98 -15.913 2.654 5.523 739 HA2 GLY 98 HA2 GLY 98 -17.523 1.428 6.652 740 HA3 GLY 98 HA1 GLY 98 -18.624 1.700 5.315 741 H ILE 99 HN ILE 99 -17.501 0.554 3.214 742 HA ILE 99 HA ILE 99 -18.006 -2.172 3.478 743 HB ILE 99 HB ILE 99 -16.475 -2.214 1.297 744 HG12 ILE 99 HG12 ILE 99 -17.417 0.587 1.055 745 HG13 ILE 99 HG11 ILE 99 -15.992 0.318 2.050 746 HG21 ILE 99 HG21 ILE 99 -18.841 -2.686 1.317 747 HG22 ILE 99 HG22 ILE 99 -18.469 -1.577 -0.002 748 HG23 ILE 99 HG23 ILE 99 -19.213 -0.970 1.477 749 HD11 ILE 99 HD11 ILE 99 -16.329 -0.416 -0.845 750 HD12 ILE 99 HD12 ILE 99 -14.925 -0.819 0.152 751 HD13 ILE 99 HD13 ILE 99 -15.321 0.872 -0.169 752 H GLY 100 HN GLY 100 -15.054 -0.407 3.963 753 HA2 GLY 100 HA2 GLY 100 -13.539 -2.912 4.106 754 HA3 GLY 100 HA1 GLY 100 -12.847 -1.311 3.874 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 -6.860 15.686 -1.285 2 H2 GLY 1 HT2 GLY 1 -7.806 15.657 -2.686 3 H3 GLY 1 HT3 GLY 1 -6.138 15.881 -2.800 4 HA2 GLY 1 HA1 GLY 1 -6.702 13.638 -3.421 5 HA3 GLY 1 HA2 GLY 1 -5.746 13.660 -1.947 6 H SER 2 HN SER 2 -9.059 13.469 -3.177 7 HA SER 2 HA SER 2 -9.677 11.537 -1.113 8 HB2 SER 2 HB2 SER 2 -10.189 13.787 -0.098 9 HB3 SER 2 HB1 SER 2 -11.391 14.021 -1.366 10 HG SER 2 HG SER 2 -12.689 12.639 -0.419 11 H THR 3 HN THR 3 -9.389 11.046 -3.739 12 HA THR 3 HA THR 3 -11.840 11.088 -5.184 13 HB THR 3 HB THR 3 -9.288 9.524 -5.464 14 HG1 THR 3 HG1 THR 3 -9.128 10.775 -7.351 15 HG21 THR 3 HG21 THR 3 -11.056 7.992 -6.123 16 HG22 THR 3 HG22 THR 3 -10.166 8.552 -7.546 17 HG23 THR 3 HG23 THR 3 -11.755 9.225 -7.180 18 H ALA 4 HN ALA 4 -10.101 8.343 -3.782 19 HA ALA 4 HA ALA 4 -10.711 6.463 -2.741 20 HB1 ALA 4 HB1 ALA 4 -11.881 7.961 -1.192 21 HB2 ALA 4 HB2 ALA 4 -12.713 6.416 -1.369 22 HB3 ALA 4 HB3 ALA 4 -13.330 7.849 -2.191 23 H THR 5 HN THR 5 -13.640 7.535 -4.473 24 HA THR 5 HA THR 5 -14.894 5.183 -4.962 25 HB THR 5 HB THR 5 -14.602 7.288 -7.097 26 HG1 THR 5 HG1 THR 5 -15.821 8.602 -5.898 27 HG21 THR 5 HG21 THR 5 -16.926 5.535 -6.284 28 HG22 THR 5 HG22 THR 5 -15.897 5.281 -7.692 29 HG23 THR 5 HG23 THR 5 -16.921 6.713 -7.597 30 H LEU 6 HN LEU 6 -12.005 6.259 -6.577 31 HA LEU 6 HA LEU 6 -11.896 4.505 -8.717 32 HB2 LEU 6 HB2 LEU 6 -10.280 6.209 -8.605 33 HB3 LEU 6 HB1 LEU 6 -9.825 5.777 -6.967 34 HG LEU 6 HG LEU 6 -8.730 3.747 -7.793 35 HD11 LEU 6 HD11 LEU 6 -8.427 3.397 -10.188 36 HD12 LEU 6 HD12 LEU 6 -9.462 4.782 -10.532 37 HD13 LEU 6 HD13 LEU 6 -10.135 3.351 -9.751 38 HD21 LEU 6 HD21 LEU 6 -7.849 6.228 -9.266 39 HD22 LEU 6 HD22 LEU 6 -6.846 4.837 -8.853 40 HD23 LEU 6 HD23 LEU 6 -7.498 5.867 -7.576 41 H LEU 7 HN LEU 7 -10.389 4.057 -5.524 42 HA LEU 7 HA LEU 7 -10.040 1.233 -6.078 43 HB2 LEU 7 HB2 LEU 7 -8.714 3.136 -4.493 44 HB3 LEU 7 HB1 LEU 7 -9.438 1.995 -3.373 45 HG LEU 7 HG LEU 7 -7.119 1.388 -3.993 46 HD11 LEU 7 HD11 LEU 7 -8.852 -0.235 -3.267 47 HD12 LEU 7 HD12 LEU 7 -7.596 -0.943 -4.287 48 HD13 LEU 7 HD13 LEU 7 -9.188 -0.578 -4.965 49 HD21 LEU 7 HD21 LEU 7 -8.270 0.763 -6.708 50 HD22 LEU 7 HD22 LEU 7 -6.592 0.609 -6.186 51 HD23 LEU 7 HD23 LEU 7 -7.321 2.207 -6.363 52 H THR 8 HN THR 8 -12.034 3.334 -4.211 53 HA THR 8 HA THR 8 -13.083 1.558 -2.332 54 HB THR 8 HB THR 8 -14.138 4.041 -3.619 55 HG1 THR 8 HG1 THR 8 -12.399 3.761 -1.852 56 HG21 THR 8 HG21 THR 8 -15.503 2.473 -1.428 57 HG22 THR 8 HG22 THR 8 -16.120 2.720 -3.061 58 HG23 THR 8 HG23 THR 8 -15.958 4.090 -1.963 59 H SER 9 HN SER 9 -13.953 2.098 -5.695 60 HA SER 9 HA SER 9 -16.283 0.495 -5.723 61 HB2 SER 9 HB2 SER 9 -14.374 1.487 -7.823 62 HB3 SER 9 HB1 SER 9 -15.708 0.404 -8.250 63 HG SER 9 HG SER 9 -17.012 2.064 -7.018 64 H LYS 10 HN LYS 10 -12.914 -0.238 -5.705 65 HA LYS 10 HA LYS 10 -13.113 -2.986 -6.496 66 HB2 LYS 10 HB2 LYS 10 -10.966 -1.668 -6.528 67 HB3 LYS 10 HB1 LYS 10 -11.022 -1.631 -4.768 68 HG2 LYS 10 HG2 LYS 10 -9.486 -3.313 -5.398 69 HG3 LYS 10 HG1 LYS 10 -10.928 -4.113 -4.781 70 HD2 LYS 10 HD2 LYS 10 -10.941 -3.652 -7.674 71 HD3 LYS 10 HD1 LYS 10 -9.671 -4.742 -7.117 72 HE2 LYS 10 HE2 LYS 10 -11.352 -6.107 -5.976 73 HE3 LYS 10 HE1 LYS 10 -12.618 -5.020 -6.535 74 HZ1 LYS 10 HZ1 LYS 10 -10.866 -6.721 -8.227 75 HZ2 LYS 10 HZ2 LYS 10 -11.976 -5.595 -8.832 76 HZ3 LYS 10 HZ3 LYS 10 -12.522 -6.932 -7.953 77 H LEU 11 HN LEU 11 -12.595 -1.372 -3.379 78 HA LEU 11 HA LEU 11 -12.648 -3.716 -1.841 79 HB2 LEU 11 HB2 LEU 11 -13.279 -0.916 -0.935 80 HB3 LEU 11 HB1 LEU 11 -12.935 -2.265 0.118 81 HG LEU 11 HG LEU 11 -10.885 -1.297 0.126 82 HD11 LEU 11 HD11 LEU 11 -10.661 -3.539 -0.874 83 HD12 LEU 11 HD12 LEU 11 -9.377 -2.429 -1.366 84 HD13 LEU 11 HD13 LEU 11 -10.704 -2.795 -2.477 85 HD21 LEU 11 HD21 LEU 11 -11.709 0.525 -1.432 86 HD22 LEU 11 HD22 LEU 11 -11.084 -0.467 -2.755 87 HD23 LEU 11 HD23 LEU 11 -9.990 0.137 -1.506 88 H ALA 12 HN ALA 12 -15.214 -1.698 -2.983 89 HA ALA 12 HA ALA 12 -17.298 -2.492 -1.307 90 HB1 ALA 12 HB1 ALA 12 -17.394 -1.870 -4.259 91 HB2 ALA 12 HB2 ALA 12 -17.512 -0.698 -2.946 92 HB3 ALA 12 HB3 ALA 12 -18.781 -1.903 -3.169 93 H GLY 13 HN GLY 13 -15.671 -4.160 -3.874 94 HA2 GLY 13 HA2 GLY 13 -17.655 -6.280 -4.018 95 HA3 GLY 13 HA1 GLY 13 -16.186 -6.148 -4.973 96 H LEU 14 HN LEU 14 -14.995 -5.600 -2.048 97 HA LEU 14 HA LEU 14 -14.398 -8.429 -1.599 98 HB2 LEU 14 HB2 LEU 14 -12.936 -5.938 -0.838 99 HB3 LEU 14 HB1 LEU 14 -12.510 -7.495 -0.222 100 HG LEU 14 HG LEU 14 -11.039 -7.457 -1.889 101 HD11 LEU 14 HD11 LEU 14 -11.828 -8.550 -3.905 102 HD12 LEU 14 HD12 LEU 14 -13.494 -8.166 -3.464 103 HD13 LEU 14 HD13 LEU 14 -12.544 -9.266 -2.456 104 HD21 LEU 14 HD21 LEU 14 -11.328 -6.116 -3.938 105 HD22 LEU 14 HD22 LEU 14 -11.426 -5.186 -2.442 106 HD23 LEU 14 HD23 LEU 14 -12.898 -5.597 -3.324 107 H THR 15 HN THR 15 -13.823 -8.934 0.627 108 HA THR 15 HA THR 15 -15.443 -7.547 2.633 109 HB THR 15 HB THR 15 -15.032 -9.473 4.042 110 HG1 THR 15 HG1 THR 15 -13.671 -11.210 3.113 111 HG21 THR 15 HG21 THR 15 -15.929 -11.307 2.652 112 HG22 THR 15 HG22 THR 15 -15.564 -10.366 1.202 113 HG23 THR 15 HG23 THR 15 -16.772 -9.786 2.350 114 H ALA 16 HN ALA 16 -14.144 -7.140 4.740 115 HA ALA 16 HA ALA 16 -12.107 -5.363 4.269 116 HB1 ALA 16 HB1 ALA 16 -11.518 -5.565 6.630 117 HB2 ALA 16 HB2 ALA 16 -12.422 -7.076 6.737 118 HB3 ALA 16 HB3 ALA 16 -13.268 -5.564 6.416 119 H THR 17 HN THR 17 -11.818 -8.832 4.809 120 HA THR 17 HA THR 17 -9.011 -8.947 4.960 121 HB THR 17 HB THR 17 -10.964 -11.088 4.110 122 HG1 THR 17 HG1 THR 17 -11.554 -10.676 6.147 123 HG21 THR 17 HG21 THR 17 -9.214 -12.639 4.859 124 HG22 THR 17 HG22 THR 17 -8.141 -11.271 5.154 125 HG23 THR 17 HG23 THR 17 -8.676 -11.634 3.513 126 H GLU 18 HN GLU 18 -11.236 -9.437 2.195 127 HA GLU 18 HA GLU 18 -9.147 -9.961 0.378 128 HB2 GLU 18 HB2 GLU 18 -12.023 -9.190 -0.007 129 HB3 GLU 18 HB1 GLU 18 -10.941 -9.609 -1.317 130 HG2 GLU 18 HG2 GLU 18 -10.607 -11.812 -0.200 131 HG3 GLU 18 HG1 GLU 18 -11.897 -11.362 0.910 132 H GLN 19 HN GLN 19 -10.784 -7.111 1.509 133 HA GLN 19 HA GLN 19 -9.828 -5.266 -0.385 134 HB2 GLN 19 HB2 GLN 19 -10.410 -4.884 2.549 135 HB3 GLN 19 HB1 GLN 19 -10.256 -3.596 1.372 136 HG2 GLN 19 HG2 GLN 19 -12.171 -4.372 0.197 137 HG3 GLN 19 HG1 GLN 19 -12.285 -5.785 1.220 138 HE21 GLN 19 HE21 GLN 19 -14.322 -3.917 0.743 139 HE22 GLN 19 HE22 GLN 19 -14.713 -3.173 2.261 140 H ARG 20 HN ARG 20 -8.468 -6.619 2.551 141 HA ARG 20 HA ARG 20 -5.997 -5.250 2.512 142 HB2 ARG 20 HB2 ARG 20 -6.194 -8.159 3.244 143 HB3 ARG 20 HB1 ARG 20 -5.152 -6.921 3.933 144 HG2 ARG 20 HG2 ARG 20 -7.172 -5.854 4.872 145 HG3 ARG 20 HG1 ARG 20 -8.118 -7.241 4.305 146 HD2 ARG 20 HD2 ARG 20 -6.788 -8.712 5.699 147 HD3 ARG 20 HD1 ARG 20 -5.762 -7.373 6.204 148 HE ARG 20 HE ARG 20 -8.639 -7.526 6.843 149 HH11 ARG 20 HH11 ARG 20 -5.324 -6.889 7.797 150 HH12 ARG 20 HH12 ARG 20 -5.760 -6.334 9.380 151 HH21 ARG 20 HH21 ARG 20 -9.201 -6.800 8.923 152 HH22 ARG 20 HH22 ARG 20 -7.958 -6.274 10.016 153 H ALA 21 HN ALA 21 -7.037 -8.287 1.084 154 HA ALA 21 HA ALA 21 -4.590 -9.112 0.031 155 HB1 ALA 21 HB1 ALA 21 -6.555 -10.561 0.308 156 HB2 ALA 21 HB2 ALA 21 -5.859 -10.669 -1.310 157 HB3 ALA 21 HB3 ALA 21 -7.330 -9.733 -1.044 158 H VAL 22 HN VAL 22 -7.054 -7.046 -1.387 159 HA VAL 22 HA VAL 22 -5.971 -7.190 -4.010 160 HB VAL 22 HB VAL 22 -7.467 -5.226 -4.498 161 HG11 VAL 22 HG11 VAL 22 -9.494 -6.510 -4.368 162 HG12 VAL 22 HG12 VAL 22 -8.815 -7.531 -3.099 163 HG13 VAL 22 HG13 VAL 22 -8.154 -7.597 -4.733 164 HG21 VAL 22 HG21 VAL 22 -9.134 -4.645 -2.758 165 HG22 VAL 22 HG22 VAL 22 -7.494 -4.158 -2.333 166 HG23 VAL 22 HG23 VAL 22 -8.206 -5.595 -1.593 167 H THR 23 HN THR 23 -5.648 -4.693 -1.441 168 HA THR 23 HA THR 23 -3.678 -3.466 -3.183 169 HB THR 23 HB THR 23 -4.981 -1.838 -2.255 170 HG1 THR 23 HG1 THR 23 -3.016 -1.317 -0.474 171 HG21 THR 23 HG21 THR 23 -5.860 -3.136 -0.334 172 HG22 THR 23 HG22 THR 23 -5.416 -1.477 0.076 173 HG23 THR 23 HG23 THR 23 -4.344 -2.807 0.502 174 H ARG 24 HN ARG 24 -3.655 -5.724 -0.616 175 HA ARG 24 HA ARG 24 -0.920 -5.386 0.086 176 HB2 ARG 24 HB2 ARG 24 -2.384 -6.960 1.291 177 HB3 ARG 24 HB1 ARG 24 -2.554 -7.928 -0.162 178 HG2 ARG 24 HG2 ARG 24 0.127 -7.901 0.087 179 HG3 ARG 24 HG1 ARG 24 -0.356 -7.799 1.781 180 HD2 ARG 24 HD2 ARG 24 -1.709 -9.793 1.541 181 HD3 ARG 24 HD1 ARG 24 -1.337 -9.861 -0.180 182 HE ARG 24 HE ARG 24 1.033 -9.896 1.373 183 HH11 ARG 24 HH11 ARG 24 -1.636 -11.933 0.403 184 HH12 ARG 24 HH12 ARG 24 -0.720 -13.401 0.527 185 HH21 ARG 24 HH21 ARG 24 2.246 -11.810 1.511 186 HH22 ARG 24 HH22 ARG 24 1.495 -13.336 1.140 187 H LYS 25 HN LYS 25 -2.515 -6.001 -2.717 188 HA LYS 25 HA LYS 25 -0.236 -7.084 -4.131 189 HB2 LYS 25 HB2 LYS 25 -2.115 -8.304 -4.708 190 HB3 LYS 25 HB1 LYS 25 -3.194 -6.944 -4.500 191 HG2 LYS 25 HG2 LYS 25 -3.119 -7.608 -6.802 192 HG3 LYS 25 HG1 LYS 25 -2.422 -6.006 -6.590 193 HD2 LYS 25 HD2 LYS 25 -0.184 -6.917 -6.751 194 HD3 LYS 25 HD1 LYS 25 -0.824 -8.559 -6.797 195 HE2 LYS 25 HE2 LYS 25 -0.241 -7.918 -9.027 196 HE3 LYS 25 HE1 LYS 25 -1.997 -7.976 -8.910 197 HZ1 LYS 25 HZ1 LYS 25 -2.018 -5.569 -8.673 198 HZ2 LYS 25 HZ2 LYS 25 -1.261 -6.025 -10.111 199 HZ3 LYS 25 HZ3 LYS 25 -0.332 -5.522 -8.794 200 H LEU 26 HN LEU 26 -2.423 -4.265 -3.850 201 HA LEU 26 HA LEU 26 -1.263 -2.811 -5.995 202 HB2 LEU 26 HB2 LEU 26 -3.535 -2.408 -5.342 203 HB3 LEU 26 HB1 LEU 26 -3.039 -1.990 -3.721 204 HG LEU 26 HG LEU 26 -3.743 -0.116 -5.311 205 HD11 LEU 26 HD11 LEU 26 -2.396 1.413 -4.139 206 HD12 LEU 26 HD12 LEU 26 -1.132 0.206 -3.897 207 HD13 LEU 26 HD13 LEU 26 -2.680 0.036 -3.064 208 HD21 LEU 26 HD21 LEU 26 -0.917 -0.470 -6.245 209 HD22 LEU 26 HD22 LEU 26 -2.017 0.844 -6.679 210 HD23 LEU 26 HD23 LEU 26 -2.358 -0.807 -7.202 211 H VAL 27 HN VAL 27 -0.942 -2.346 -2.425 212 HA VAL 27 HA VAL 27 0.906 -0.257 -2.612 213 HB VAL 27 HB VAL 27 -0.046 -0.692 -0.442 214 HG11 VAL 27 HG11 VAL 27 1.306 -3.369 -0.632 215 HG12 VAL 27 HG12 VAL 27 -0.418 -3.036 -0.485 216 HG13 VAL 27 HG13 VAL 27 0.664 -2.701 0.869 217 HG21 VAL 27 HG21 VAL 27 2.200 0.286 -0.452 218 HG22 VAL 27 HG22 VAL 27 2.907 -1.333 -0.394 219 HG23 VAL 27 HG23 VAL 27 1.955 -0.733 0.967 220 H LEU 28 HN LEU 28 1.243 -3.664 -2.729 221 HA LEU 28 HA LEU 28 4.008 -3.973 -2.764 222 HB2 LEU 28 HB2 LEU 28 1.885 -5.609 -2.786 223 HB3 LEU 28 HB1 LEU 28 2.281 -5.662 -4.487 224 HG LEU 28 HG LEU 28 4.414 -6.635 -4.045 225 HD11 LEU 28 HD11 LEU 28 5.110 -5.401 -2.149 226 HD12 LEU 28 HD12 LEU 28 5.080 -7.104 -1.683 227 HD13 LEU 28 HD13 LEU 28 3.775 -6.021 -1.178 228 HD21 LEU 28 HD21 LEU 28 3.705 -8.653 -2.699 229 HD22 LEU 28 HD22 LEU 28 2.662 -8.243 -4.064 230 HD23 LEU 28 HD23 LEU 28 2.168 -7.821 -2.422 231 H ASP 29 HN ASP 29 1.675 -3.501 -5.333 232 HA ASP 29 HA ASP 29 3.470 -3.687 -7.515 233 HB2 ASP 29 HB2 ASP 29 0.953 -3.924 -7.596 234 HB3 ASP 29 HB1 ASP 29 0.860 -2.182 -7.422 235 H GLN 30 HN GLN 30 2.088 -1.000 -5.701 236 HA GLN 30 HA GLN 30 3.260 1.103 -7.098 237 HB2 GLN 30 HB2 GLN 30 2.625 0.913 -4.175 238 HB3 GLN 30 HB1 GLN 30 2.826 2.396 -5.095 239 HG2 GLN 30 HG2 GLN 30 0.637 0.357 -5.400 240 HG3 GLN 30 HG1 GLN 30 0.508 1.996 -4.782 241 HE21 GLN 30 HE21 GLN 30 0.884 0.021 -7.596 242 HE22 GLN 30 HE22 GLN 30 0.551 1.252 -8.765 243 H ALA 31 HN ALA 31 4.336 -0.640 -4.245 244 HA ALA 31 HA ALA 31 6.719 0.779 -3.767 245 HB1 ALA 31 HB1 ALA 31 7.358 -1.127 -2.428 246 HB2 ALA 31 HB2 ALA 31 6.159 -2.141 -3.243 247 HB3 ALA 31 HB3 ALA 31 5.634 -0.813 -2.199 248 H ALA 32 HN ALA 32 5.844 -1.790 -5.867 249 HA ALA 32 HA ALA 32 8.415 -2.537 -6.746 250 HB1 ALA 32 HB1 ALA 32 6.791 -4.106 -7.214 251 HB2 ALA 32 HB2 ALA 32 6.896 -3.294 -8.779 252 HB3 ALA 32 HB3 ALA 32 5.583 -2.889 -7.660 253 H SER 33 HN SER 33 5.959 -0.292 -7.956 254 HA SER 33 HA SER 33 7.257 0.554 -10.281 255 HB2 SER 33 HB2 SER 33 4.982 1.141 -10.027 256 HB3 SER 33 HB1 SER 33 5.248 1.805 -8.415 257 HG SER 33 HG SER 33 5.694 2.944 -10.929 258 H VAL 34 HN VAL 34 7.480 1.615 -6.957 259 HA VAL 34 HA VAL 34 9.144 3.840 -7.303 260 HB VAL 34 HB VAL 34 9.181 1.981 -4.940 261 HG11 VAL 34 HG11 VAL 34 9.565 4.108 -3.706 262 HG12 VAL 34 HG12 VAL 34 9.665 4.938 -5.258 263 HG13 VAL 34 HG13 VAL 34 10.851 3.701 -4.842 264 HG21 VAL 34 HG21 VAL 34 6.897 2.422 -5.485 265 HG22 VAL 34 HG22 VAL 34 7.209 4.158 -5.541 266 HG23 VAL 34 HG23 VAL 34 7.353 3.278 -4.020 267 H LEU 35 HN LEU 35 9.841 0.618 -6.114 268 HA LEU 35 HA LEU 35 12.552 0.988 -5.795 269 HB2 LEU 35 HB2 LEU 35 10.580 -1.111 -5.659 270 HB3 LEU 35 HB1 LEU 35 12.181 -1.714 -6.064 271 HG LEU 35 HG LEU 35 12.988 -1.298 -3.965 272 HD11 LEU 35 HD11 LEU 35 11.031 0.993 -3.752 273 HD12 LEU 35 HD12 LEU 35 12.782 1.109 -3.958 274 HD13 LEU 35 HD13 LEU 35 12.113 0.475 -2.455 275 HD21 LEU 35 HD21 LEU 35 11.251 -2.789 -3.550 276 HD22 LEU 35 HD22 LEU 35 10.021 -1.541 -3.754 277 HD23 LEU 35 HD23 LEU 35 11.057 -1.539 -2.317 278 H GLY 36 HN GLY 36 10.783 -0.096 -8.635 279 HA2 GLY 36 HA2 GLY 36 12.185 0.399 -10.700 280 HA3 GLY 36 HA1 GLY 36 13.378 -0.617 -9.906 281 H TYR 37 HN TYR 37 10.179 -1.556 -9.418 282 HA TYR 37 HA TYR 37 10.773 -3.976 -10.959 283 HB2 TYR 37 HB2 TYR 37 8.700 -3.605 -8.809 284 HB3 TYR 37 HB1 TYR 37 9.338 -5.110 -9.421 285 HD1 TYR 37 HD1 TYR 37 9.178 -4.292 -6.491 286 HD2 TYR 37 HD2 TYR 37 12.249 -3.935 -9.398 287 HE1 TYR 37 HE1 TYR 37 10.851 -4.299 -4.701 288 HE2 TYR 37 HE2 TYR 37 13.934 -3.915 -7.634 289 HH TYR 37 HH TYR 37 13.268 -4.793 -4.420 290 H ALA 38 HN ALA 38 8.953 -5.089 -11.932 291 HA ALA 38 HA ALA 38 6.746 -3.321 -12.743 292 HB1 ALA 38 HB1 ALA 38 6.890 -4.164 -15.004 293 HB2 ALA 38 HB2 ALA 38 8.214 -5.238 -14.547 294 HB3 ALA 38 HB3 ALA 38 8.450 -3.489 -14.528 295 H SER 39 HN SER 39 7.567 -6.032 -11.140 296 HA SER 39 HA SER 39 4.989 -7.277 -11.502 297 HB2 SER 39 HB2 SER 39 6.352 -8.248 -13.325 298 HB3 SER 39 HB1 SER 39 7.543 -8.779 -12.147 299 HG SER 39 HG SER 39 5.701 -10.249 -12.969 300 H THR 40 HN THR 40 6.507 -5.939 -9.397 301 HA THR 40 HA THR 40 7.244 -6.136 -7.240 302 HB THR 40 HB THR 40 5.757 -7.549 -5.794 303 HG1 THR 40 HG1 THR 40 5.292 -8.829 -8.057 304 HG21 THR 40 HG21 THR 40 5.158 -5.252 -6.278 305 HG22 THR 40 HG22 THR 40 3.704 -6.254 -6.287 306 HG23 THR 40 HG23 THR 40 4.430 -5.739 -7.811 307 H GLU 41 HN GLU 41 9.050 -7.365 -8.671 308 HA GLU 41 HA GLU 41 9.365 -10.116 -8.487 309 HB2 GLU 41 HB2 GLU 41 11.788 -9.629 -9.004 310 HB3 GLU 41 HB1 GLU 41 10.613 -8.945 -10.117 311 HG2 GLU 41 HG2 GLU 41 10.813 -6.789 -8.855 312 HG3 GLU 41 HG1 GLU 41 12.150 -7.515 -7.967 313 H SER 42 HN SER 42 11.289 -7.754 -6.599 314 HA SER 42 HA SER 42 11.900 -9.949 -4.761 315 HB2 SER 42 HB2 SER 42 13.843 -8.339 -4.158 316 HB3 SER 42 HB1 SER 42 13.906 -9.187 -5.705 317 HG SER 42 HG SER 42 14.136 -6.662 -5.431 318 H LEU 43 HN LEU 43 9.471 -8.545 -4.479 319 HA LEU 43 HA LEU 43 9.915 -6.844 -2.153 320 HB2 LEU 43 HB2 LEU 43 7.490 -7.440 -3.822 321 HB3 LEU 43 HB1 LEU 43 7.426 -6.497 -2.343 322 HG LEU 43 HG LEU 43 9.125 -5.760 -4.721 323 HD11 LEU 43 HD11 LEU 43 6.791 -5.697 -5.319 324 HD12 LEU 43 HD12 LEU 43 7.434 -4.062 -5.158 325 HD13 LEU 43 HD13 LEU 43 6.427 -4.747 -3.879 326 HD21 LEU 43 HD21 LEU 43 9.187 -3.579 -3.584 327 HD22 LEU 43 HD22 LEU 43 9.924 -4.861 -2.623 328 HD23 LEU 43 HD23 LEU 43 8.304 -4.283 -2.231 329 H ASP 44 HN ASP 44 8.398 -7.110 -0.341 330 HA ASP 44 HA ASP 44 7.469 -9.834 0.119 331 HB2 ASP 44 HB2 ASP 44 9.896 -9.302 1.092 332 HB3 ASP 44 HB1 ASP 44 8.954 -8.502 2.339 333 H THR 45 HN THR 45 5.589 -9.842 1.250 334 HA THR 45 HA THR 45 4.569 -7.260 2.138 335 HB THR 45 HB THR 45 2.453 -8.655 2.543 336 HG1 THR 45 HG1 THR 45 3.754 -10.450 0.756 337 HG21 THR 45 HG21 THR 45 1.902 -8.662 0.112 338 HG22 THR 45 HG22 THR 45 3.582 -8.228 -0.209 339 HG23 THR 45 HG23 THR 45 2.550 -7.141 0.720 340 H HIS 46 HN HIS 46 6.234 -9.857 3.347 341 HA HIS 46 HA HIS 46 5.097 -9.587 6.043 342 HB2 HIS 46 HB2 HIS 46 6.940 -11.672 4.850 343 HB3 HIS 46 HB1 HIS 46 6.473 -11.628 6.539 344 HD1 HIS 46 HD1 HIS 46 4.787 -13.344 6.987 345 HD2 HIS 46 HD2 HIS 46 4.291 -11.649 3.231 346 HE1 HIS 46 HE1 HIS 46 2.800 -14.510 5.984 347 HE2 HIS 46 HE2 HIS 46 2.674 -13.638 3.627 348 H GLU 47 HN GLU 47 7.425 -8.199 4.210 349 HA GLU 47 HA GLU 47 9.189 -7.781 6.522 350 HB2 GLU 47 HB2 GLU 47 11.025 -8.274 5.333 351 HB3 GLU 47 HB1 GLU 47 9.933 -9.029 4.186 352 HG2 GLU 47 HG2 GLU 47 9.848 -6.864 2.945 353 HG3 GLU 47 HG1 GLU 47 11.087 -6.257 4.046 354 H SER 48 HN SER 48 10.144 -5.647 6.623 355 HA SER 48 HA SER 48 8.038 -3.761 6.014 356 HB2 SER 48 HB2 SER 48 10.592 -3.133 7.478 357 HB3 SER 48 HB1 SER 48 9.003 -2.390 7.650 358 HG SER 48 HG SER 48 9.818 -4.054 9.272 359 H PHE 49 HN PHE 49 8.283 -1.849 4.918 360 HA PHE 49 HA PHE 49 9.650 -1.850 2.517 361 HB2 PHE 49 HB2 PHE 49 8.696 0.529 4.093 362 HB3 PHE 49 HB1 PHE 49 9.153 0.562 2.395 363 HD1 PHE 49 HD1 PHE 49 7.720 -0.285 0.717 364 HD2 PHE 49 HD2 PHE 49 6.672 -0.633 4.817 365 HE1 PHE 49 HE1 PHE 49 5.447 -0.926 0.076 366 HE2 PHE 49 HE2 PHE 49 4.384 -1.278 4.181 367 HZ PHE 49 HZ PHE 49 3.727 -1.307 1.869 368 H LYS 50 HN LYS 50 10.695 -0.622 5.598 369 HA LYS 50 HA LYS 50 13.039 0.620 5.128 370 HB2 LYS 50 HB2 LYS 50 12.086 -0.207 7.327 371 HB3 LYS 50 HB1 LYS 50 12.850 -1.743 6.980 372 HG2 LYS 50 HG2 LYS 50 14.612 0.583 6.794 373 HG3 LYS 50 HG1 LYS 50 13.998 0.219 8.397 374 HD2 LYS 50 HD2 LYS 50 15.739 -1.188 8.519 375 HD3 LYS 50 HD1 LYS 50 14.746 -2.233 7.498 376 HE2 LYS 50 HE2 LYS 50 16.954 -2.017 6.538 377 HE3 LYS 50 HE1 LYS 50 15.746 -1.235 5.520 378 HZ1 LYS 50 HZ1 LYS 50 17.723 0.123 5.728 379 HZ2 LYS 50 HZ2 LYS 50 17.555 0.163 7.406 380 HZ3 LYS 50 HZ3 LYS 50 16.395 0.898 6.423 381 H ASP 51 HN ASP 51 12.640 -2.870 5.192 382 HA ASP 51 HA ASP 51 15.261 -3.411 4.286 383 HB2 ASP 51 HB2 ASP 51 13.704 -4.950 5.605 384 HB3 ASP 51 HB1 ASP 51 12.936 -5.311 4.066 385 H LEU 52 HN LEU 52 12.273 -2.747 2.691 386 HA LEU 52 HA LEU 52 12.921 -3.806 0.128 387 HB2 LEU 52 HB2 LEU 52 10.866 -1.898 1.165 388 HB3 LEU 52 HB1 LEU 52 11.057 -2.128 -0.546 389 HG LEU 52 HG LEU 52 10.523 -4.523 -0.289 390 HD11 LEU 52 HD11 LEU 52 9.541 -5.250 1.862 391 HD12 LEU 52 HD12 LEU 52 10.142 -3.759 2.586 392 HD13 LEU 52 HD13 LEU 52 11.275 -4.942 1.933 393 HD21 LEU 52 HD21 LEU 52 8.529 -2.619 0.899 394 HD22 LEU 52 HD22 LEU 52 8.162 -4.253 0.350 395 HD23 LEU 52 HD23 LEU 52 8.714 -3.034 -0.807 396 H GLY 53 HN GLY 53 13.797 -1.040 1.878 397 HA2 GLY 53 HA2 GLY 53 15.757 0.108 1.170 398 HA3 GLY 53 HA1 GLY 53 15.230 -0.067 -0.490 399 H PHE 54 HN PHE 54 12.638 0.814 1.540 400 HA PHE 54 HA PHE 54 12.523 3.351 0.275 401 HB2 PHE 54 HB2 PHE 54 10.780 2.060 2.373 402 HB3 PHE 54 HB1 PHE 54 10.482 3.665 1.715 403 HD1 PHE 54 HD1 PHE 54 9.712 3.983 -0.496 404 HD2 PHE 54 HD2 PHE 54 10.612 0.091 0.941 405 HE1 PHE 54 HE1 PHE 54 8.620 3.022 -2.456 406 HE2 PHE 54 HE2 PHE 54 9.518 -0.899 -1.014 407 HZ PHE 54 HZ PHE 54 8.534 0.566 -2.749 408 H ASP 55 HN ASP 55 12.190 5.370 1.346 409 HA ASP 55 HA ASP 55 13.481 5.884 3.861 410 HB2 ASP 55 HB2 ASP 55 15.194 7.409 2.758 411 HB3 ASP 55 HB1 ASP 55 15.518 5.681 2.654 412 H SER 56 HN SER 56 14.138 8.572 3.418 413 HA SER 56 HA SER 56 11.525 9.761 3.303 414 HB2 SER 56 HB2 SER 56 14.207 11.143 3.534 415 HB3 SER 56 HB1 SER 56 12.631 11.801 3.971 416 HG SER 56 HG SER 56 12.688 9.685 5.361 417 H LEU 57 HN LEU 57 12.465 8.562 0.883 418 HA LEU 57 HA LEU 57 12.110 10.778 -0.975 419 HB2 LEU 57 HB2 LEU 57 14.051 8.514 -1.315 420 HB3 LEU 57 HB1 LEU 57 13.773 9.805 -2.466 421 HG LEU 57 HG LEU 57 14.857 10.222 0.311 422 HD11 LEU 57 HD11 LEU 57 16.342 10.005 -2.305 423 HD12 LEU 57 HD12 LEU 57 16.392 8.846 -0.975 424 HD13 LEU 57 HD13 LEU 57 17.047 10.471 -0.756 425 HD21 LEU 57 HD21 LEU 57 14.738 12.007 -2.117 426 HD22 LEU 57 HD22 LEU 57 15.541 12.404 -0.597 427 HD23 LEU 57 HD23 LEU 57 13.793 12.177 -0.637 428 H THR 58 HN THR 58 12.611 7.270 -0.931 429 HA THR 58 HA THR 58 10.857 6.797 -3.120 430 HB THR 58 HB THR 58 11.124 4.354 -2.315 431 HG1 THR 58 HG1 THR 58 13.221 5.558 -0.794 432 HG21 THR 58 HG21 THR 58 13.377 4.232 -3.262 433 HG22 THR 58 HG22 THR 58 13.539 5.982 -3.097 434 HG23 THR 58 HG23 THR 58 12.339 5.307 -4.199 435 H ALA 59 HN ALA 59 10.557 6.272 0.382 436 HA ALA 59 HA ALA 59 8.043 5.119 0.436 437 HB1 ALA 59 HB1 ALA 59 9.127 7.138 2.409 438 HB2 ALA 59 HB2 ALA 59 9.539 5.427 2.405 439 HB3 ALA 59 HB3 ALA 59 7.876 5.931 2.713 440 H LEU 60 HN LEU 60 9.060 8.396 0.008 441 HA LEU 60 HA LEU 60 6.595 9.675 0.409 442 HB2 LEU 60 HB2 LEU 60 9.089 10.451 -1.081 443 HB3 LEU 60 HB1 LEU 60 7.710 11.526 -0.936 444 HG LEU 60 HG LEU 60 9.506 12.023 0.708 445 HD11 LEU 60 HD11 LEU 60 6.946 11.035 1.923 446 HD12 LEU 60 HD12 LEU 60 7.194 12.618 1.183 447 HD13 LEU 60 HD13 LEU 60 8.071 12.177 2.648 448 HD21 LEU 60 HD21 LEU 60 10.334 9.780 1.139 449 HD22 LEU 60 HD22 LEU 60 8.777 9.328 1.838 450 HD23 LEU 60 HD23 LEU 60 9.787 10.531 2.639 451 H GLU 61 HN GLU 61 8.218 8.566 -2.565 452 HA GLU 61 HA GLU 61 5.978 9.367 -4.177 453 HB2 GLU 61 HB2 GLU 61 7.158 7.896 -5.932 454 HB3 GLU 61 HB1 GLU 61 7.943 9.383 -5.409 455 HG2 GLU 61 HG2 GLU 61 9.347 8.076 -3.885 456 HG3 GLU 61 HG1 GLU 61 8.576 6.603 -4.467 457 H LEU 62 HN LEU 62 6.963 6.454 -2.525 458 HA LEU 62 HA LEU 62 5.039 4.723 -3.702 459 HB2 LEU 62 HB2 LEU 62 6.818 3.796 -2.377 460 HB3 LEU 62 HB1 LEU 62 6.298 4.705 -0.973 461 HG LEU 62 HG LEU 62 4.213 3.435 -0.895 462 HD11 LEU 62 HD11 LEU 62 3.916 2.972 -3.225 463 HD12 LEU 62 HD12 LEU 62 3.963 1.453 -2.326 464 HD13 LEU 62 HD13 LEU 62 5.368 1.977 -3.250 465 HD21 LEU 62 HD21 LEU 62 6.246 2.686 0.283 466 HD22 LEU 62 HD22 LEU 62 6.598 1.625 -1.083 467 HD23 LEU 62 HD23 LEU 62 5.135 1.379 -0.125 468 H ARG 63 HN ARG 63 5.045 6.685 -0.774 469 HA ARG 63 HA ARG 63 2.470 6.190 0.156 470 HB2 ARG 63 HB2 ARG 63 3.914 7.436 1.545 471 HB3 ARG 63 HB1 ARG 63 4.367 8.529 0.246 472 HG2 ARG 63 HG2 ARG 63 1.802 9.165 0.362 473 HG3 ARG 63 HG1 ARG 63 1.996 8.588 2.019 474 HD2 ARG 63 HD2 ARG 63 2.388 11.002 1.841 475 HD3 ARG 63 HD1 ARG 63 3.830 10.137 2.368 476 HE ARG 63 HE ARG 63 4.431 10.281 -0.143 477 HH11 ARG 63 HH11 ARG 63 2.769 12.742 1.714 478 HH12 ARG 63 HH12 ARG 63 3.326 14.047 0.716 479 HH21 ARG 63 HH21 ARG 63 5.149 12.007 -1.467 480 HH22 ARG 63 HH22 ARG 63 4.664 13.629 -1.091 481 H ASP 64 HN ASP 64 3.792 8.551 -2.064 482 HA ASP 64 HA ASP 64 1.508 9.857 -2.897 483 HB2 ASP 64 HB2 ASP 64 3.911 10.422 -3.389 484 HB3 ASP 64 HB1 ASP 64 3.874 9.164 -4.613 485 H HIS 65 HN HIS 65 3.005 6.882 -4.084 486 HA HIS 65 HA HIS 65 1.270 6.396 -6.231 487 HB2 HIS 65 HB2 HIS 65 2.869 4.547 -4.509 488 HB3 HIS 65 HB1 HIS 65 1.948 3.997 -5.887 489 HD1 HIS 65 HD1 HIS 65 2.901 6.645 -7.624 490 HD2 HIS 65 HD2 HIS 65 5.215 3.819 -5.682 491 HE1 HIS 65 HE1 HIS 65 5.172 6.722 -8.732 492 HE2 HIS 65 HE2 HIS 65 6.469 4.865 -7.685 493 H LEU 66 HN LEU 66 1.073 5.474 -2.791 494 HA LEU 66 HA LEU 66 -1.142 3.741 -3.131 495 HB2 LEU 66 HB2 LEU 66 0.086 5.162 -0.817 496 HB3 LEU 66 HB1 LEU 66 -1.443 4.343 -0.610 497 HG LEU 66 HG LEU 66 -0.513 2.240 -0.786 498 HD11 LEU 66 HD11 LEU 66 1.633 1.733 -1.841 499 HD12 LEU 66 HD12 LEU 66 1.835 3.439 -2.241 500 HD13 LEU 66 HD13 LEU 66 0.523 2.512 -2.965 501 HD21 LEU 66 HD21 LEU 66 0.363 3.298 1.185 502 HD22 LEU 66 HD22 LEU 66 1.699 3.984 0.262 503 HD23 LEU 66 HD23 LEU 66 1.592 2.238 0.494 504 H GLN 67 HN GLN 67 -0.867 7.150 -2.340 505 HA GLN 67 HA GLN 67 -3.655 7.574 -1.877 506 HB2 GLN 67 HB2 GLN 67 -1.749 9.695 -2.805 507 HB3 GLN 67 HB1 GLN 67 -3.131 9.862 -1.731 508 HG2 GLN 67 HG2 GLN 67 -2.015 8.932 0.062 509 HG3 GLN 67 HG1 GLN 67 -0.840 8.143 -0.993 510 HE21 GLN 67 HE21 GLN 67 -0.267 10.425 -2.584 511 HE22 GLN 67 HE22 GLN 67 0.671 11.490 -1.615 512 H THR 68 HN THR 68 -1.519 7.797 -4.644 513 HA THR 68 HA THR 68 -3.368 8.840 -6.466 514 HB THR 68 HB THR 68 -0.782 7.370 -6.524 515 HG1 THR 68 HG1 THR 68 -0.738 9.602 -6.164 516 HG21 THR 68 HG21 THR 68 -1.984 6.449 -8.425 517 HG22 THR 68 HG22 THR 68 -0.679 7.504 -8.962 518 HG23 THR 68 HG23 THR 68 -2.348 8.074 -9.005 519 H ALA 69 HN ALA 69 -2.254 5.632 -5.716 520 HA ALA 69 HA ALA 69 -3.851 4.102 -7.360 521 HB1 ALA 69 HB1 ALA 69 -1.927 3.271 -6.148 522 HB2 ALA 69 HB2 ALA 69 -3.354 2.279 -5.827 523 HB3 ALA 69 HB3 ALA 69 -2.801 3.453 -4.628 524 H THR 70 HN THR 70 -4.464 5.055 -3.976 525 HA THR 70 HA THR 70 -7.020 3.663 -4.057 526 HB THR 70 HB THR 70 -7.140 4.120 -1.656 527 HG1 THR 70 HG1 THR 70 -4.598 5.365 -1.790 528 HG21 THR 70 HG21 THR 70 -4.356 3.276 -2.448 529 HG22 THR 70 HG22 THR 70 -5.771 2.220 -2.473 530 HG23 THR 70 HG23 THR 70 -5.189 2.878 -0.945 531 H GLY 71 HN GLY 71 -5.743 6.889 -3.876 532 HA2 GLY 71 HA2 GLY 71 -6.851 8.864 -4.463 533 HA3 GLY 71 HA1 GLY 71 -8.387 8.009 -4.383 534 H LEU 72 HN LEU 72 -6.420 7.339 -1.766 535 HA LEU 72 HA LEU 72 -8.099 8.998 -0.028 536 HB2 LEU 72 HB2 LEU 72 -6.535 6.458 0.359 537 HB3 LEU 72 HB1 LEU 72 -7.059 7.405 1.734 538 HG LEU 72 HG LEU 72 -8.537 5.481 1.231 539 HD11 LEU 72 HD11 LEU 72 -9.405 7.402 2.434 540 HD12 LEU 72 HD12 LEU 72 -10.643 6.676 1.412 541 HD13 LEU 72 HD13 LEU 72 -9.849 8.172 0.909 542 HD21 LEU 72 HD21 LEU 72 -8.358 5.484 -1.200 543 HD22 LEU 72 HD22 LEU 72 -9.246 7.002 -1.264 544 HD23 LEU 72 HD23 LEU 72 -10.037 5.543 -0.669 545 H ASN 73 HN ASN 73 -6.525 9.058 2.238 546 HA ASN 73 HA ASN 73 -4.348 10.820 1.341 547 HB2 ASN 73 HB2 ASN 73 -6.341 12.075 2.122 548 HB3 ASN 73 HB1 ASN 73 -6.202 11.279 3.685 549 HD21 ASN 73 HD21 ASN 73 -5.927 13.250 4.740 550 HD22 ASN 73 HD22 ASN 73 -4.439 14.127 4.657 551 H LEU 74 HN LEU 74 -2.641 9.516 1.760 552 HA LEU 74 HA LEU 74 -2.518 8.127 4.299 553 HB2 LEU 74 HB2 LEU 74 -0.872 7.921 1.795 554 HB3 LEU 74 HB1 LEU 74 -0.507 7.037 3.269 555 HG LEU 74 HG LEU 74 -2.991 6.208 3.020 556 HD11 LEU 74 HD11 LEU 74 -2.286 6.787 0.145 557 HD12 LEU 74 HD12 LEU 74 -3.490 7.670 1.083 558 HD13 LEU 74 HD13 LEU 74 -3.730 5.958 0.738 559 HD21 LEU 74 HD21 LEU 74 -0.619 5.244 1.463 560 HD22 LEU 74 HD22 LEU 74 -2.127 4.347 1.590 561 HD23 LEU 74 HD23 LEU 74 -1.189 4.696 3.041 562 H SER 75 HN SER 75 0.483 8.052 4.319 563 HA SER 75 HA SER 75 0.796 10.701 5.578 564 HB2 SER 75 HB2 SER 75 0.108 9.118 7.299 565 HB3 SER 75 HB1 SER 75 1.393 8.008 6.828 566 HG SER 75 HG SER 75 1.779 9.438 8.705 567 H SER 76 HN SER 76 3.028 11.283 6.106 568 HA SER 76 HA SER 76 4.754 10.809 3.896 569 HB2 SER 76 HB2 SER 76 5.401 12.173 6.515 570 HB3 SER 76 HB1 SER 76 6.274 12.348 4.994 571 HG SER 76 HG SER 76 4.334 13.842 5.807 572 H THR 77 HN THR 77 4.537 9.487 7.110 573 HA THR 77 HA THR 77 6.870 7.770 6.539 574 HB THR 77 HB THR 77 6.761 7.312 9.064 575 HG1 THR 77 HG1 THR 77 5.233 8.334 10.103 576 HG21 THR 77 HG21 THR 77 8.061 9.358 9.565 577 HG22 THR 77 HG22 THR 77 7.541 10.026 8.017 578 HG23 THR 77 HG23 THR 77 8.549 8.581 8.058 579 H LEU 78 HN LEU 78 4.322 7.480 5.496 580 HA LEU 78 HA LEU 78 2.417 5.988 6.750 581 HB2 LEU 78 HB2 LEU 78 2.348 7.059 4.513 582 HB3 LEU 78 HB1 LEU 78 3.348 5.769 3.904 583 HG LEU 78 HG LEU 78 0.735 5.818 3.587 584 HD11 LEU 78 HD11 LEU 78 2.464 3.417 4.037 585 HD12 LEU 78 HD12 LEU 78 2.086 4.231 2.507 586 HD13 LEU 78 HD13 LEU 78 0.830 3.340 3.377 587 HD21 LEU 78 HD21 LEU 78 1.169 4.636 6.295 588 HD22 LEU 78 HD22 LEU 78 -0.171 4.109 5.273 589 HD23 LEU 78 HD23 LEU 78 -0.048 5.799 5.760 590 H ILE 79 HN ILE 79 4.927 4.627 4.646 591 HA ILE 79 HA ILE 79 4.358 1.927 5.447 592 HB ILE 79 HB ILE 79 6.158 1.325 3.952 593 HG12 ILE 79 HG12 ILE 79 6.784 4.264 4.009 594 HG13 ILE 79 HG11 ILE 79 7.851 2.921 4.409 595 HG21 ILE 79 HG21 ILE 79 4.481 3.578 2.875 596 HG22 ILE 79 HG22 ILE 79 4.060 1.861 2.901 597 HG23 ILE 79 HG23 ILE 79 5.399 2.431 1.899 598 HD11 ILE 79 HD11 ILE 79 8.530 3.695 2.309 599 HD12 ILE 79 HD12 ILE 79 6.868 3.802 1.729 600 HD13 ILE 79 HD13 ILE 79 7.613 2.219 1.993 601 H PHE 80 HN PHE 80 5.804 4.178 7.197 602 HA PHE 80 HA PHE 80 7.635 2.234 8.423 603 HB2 PHE 80 HB2 PHE 80 7.791 5.257 8.457 604 HB3 PHE 80 HB1 PHE 80 8.889 4.177 9.314 605 HD1 PHE 80 HD1 PHE 80 8.975 6.279 6.766 606 HD2 PHE 80 HD2 PHE 80 9.458 2.097 7.401 607 HE1 PHE 80 HE1 PHE 80 10.421 6.158 4.781 608 HE2 PHE 80 HE2 PHE 80 10.895 1.961 5.412 609 HZ PHE 80 HZ PHE 80 11.283 3.944 4.033 610 H ASP 81 HN ASP 81 4.855 4.046 8.586 611 HA ASP 81 HA ASP 81 4.449 3.904 11.436 612 HB2 ASP 81 HB2 ASP 81 3.376 5.525 9.597 613 HB3 ASP 81 HB1 ASP 81 2.247 4.196 9.466 614 H HIS 82 HN HIS 82 3.560 2.363 8.480 615 HA HIS 82 HA HIS 82 2.584 -0.009 9.888 616 HB2 HIS 82 HB2 HIS 82 1.751 0.936 7.133 617 HB3 HIS 82 HB1 HIS 82 1.008 -0.327 8.099 618 HD1 HIS 82 HD1 HIS 82 -0.447 0.446 10.149 619 HD2 HIS 82 HD2 HIS 82 0.979 3.525 7.747 620 HE1 HIS 82 HE1 HIS 82 -1.666 2.510 10.907 621 HE2 HIS 82 HE2 HIS 82 -0.586 4.390 9.626 622 HA PRO 83 HA PRO 83 6.576 -0.978 8.494 623 HB2 PRO 83 HB2 PRO 83 6.551 -3.675 9.048 624 HB3 PRO 83 HB1 PRO 83 6.792 -2.410 10.257 625 HG2 PRO 83 HG2 PRO 83 4.279 -3.877 9.526 626 HG3 PRO 83 HG1 PRO 83 4.909 -3.469 11.137 627 HD2 PRO 83 HD2 PRO 83 2.961 -2.013 10.021 628 HD3 PRO 83 HD1 PRO 83 4.246 -1.240 10.957 629 H THR 84 HN THR 84 4.028 -3.182 7.344 630 HA THR 84 HA THR 84 5.749 -3.776 5.050 631 HB THR 84 HB THR 84 4.779 -5.997 4.998 632 HG1 THR 84 HG1 THR 84 3.582 -6.127 7.373 633 HG21 THR 84 HG21 THR 84 6.779 -5.579 6.423 634 HG22 THR 84 HG22 THR 84 5.785 -6.919 6.999 635 HG23 THR 84 HG23 THR 84 5.703 -5.348 7.802 636 HA PRO 85 HA PRO 85 2.445 -2.642 2.309 637 HB2 PRO 85 HB2 PRO 85 2.788 -5.265 0.985 638 HB3 PRO 85 HB1 PRO 85 2.919 -3.646 0.299 639 HG2 PRO 85 HG2 PRO 85 5.075 -5.198 0.741 640 HG3 PRO 85 HG1 PRO 85 5.130 -3.433 0.877 641 HD2 PRO 85 HD2 PRO 85 5.081 -5.491 3.014 642 HD3 PRO 85 HD1 PRO 85 5.856 -3.901 2.997 643 H HIS 86 HN HIS 86 2.583 -5.484 4.125 644 HA HIS 86 HA HIS 86 -0.150 -6.310 3.727 645 HB2 HIS 86 HB2 HIS 86 1.141 -8.074 4.477 646 HB3 HIS 86 HB1 HIS 86 2.114 -7.060 5.518 647 HD1 HIS 86 HD1 HIS 86 -0.767 -9.342 5.560 648 HD2 HIS 86 HD2 HIS 86 0.810 -6.366 8.001 649 HE1 HIS 86 HE1 HIS 86 -1.804 -9.707 7.823 650 HE2 HIS 86 HE2 HIS 86 -0.675 -8.032 9.329 651 H ALA 87 HN ALA 87 1.690 -4.555 6.158 652 HA ALA 87 HA ALA 87 -0.526 -4.023 7.877 653 HB1 ALA 87 HB1 ALA 87 2.151 -2.638 7.737 654 HB2 ALA 87 HB2 ALA 87 1.821 -4.106 8.663 655 HB3 ALA 87 HB3 ALA 87 1.019 -2.595 9.090 656 H VAL 88 HN VAL 88 0.808 -2.647 5.109 657 HA VAL 88 HA VAL 88 -0.358 -0.026 5.487 658 HB VAL 88 HB VAL 88 1.158 -1.294 3.231 659 HG11 VAL 88 HG11 VAL 88 0.056 1.492 3.424 660 HG12 VAL 88 HG12 VAL 88 -0.395 0.244 2.263 661 HG13 VAL 88 HG13 VAL 88 1.219 0.953 2.214 662 HG21 VAL 88 HG21 VAL 88 2.519 -0.784 5.155 663 HG22 VAL 88 HG22 VAL 88 1.897 0.871 5.190 664 HG23 VAL 88 HG23 VAL 88 2.900 0.331 3.843 665 H ALA 89 HN ALA 89 -0.831 -2.855 3.431 666 HA ALA 89 HA ALA 89 -2.945 -1.781 1.934 667 HB1 ALA 89 HB1 ALA 89 -3.545 -4.128 1.436 668 HB2 ALA 89 HB2 ALA 89 -2.333 -4.650 2.610 669 HB3 ALA 89 HB3 ALA 89 -1.845 -3.757 1.168 670 H GLU 90 HN GLU 90 -2.932 -3.527 5.069 671 HA GLU 90 HA GLU 90 -5.800 -3.509 5.209 672 HB2 GLU 90 HB2 GLU 90 -5.455 -4.071 7.608 673 HB3 GLU 90 HB1 GLU 90 -4.612 -5.151 6.505 674 HG2 GLU 90 HG2 GLU 90 -2.531 -4.124 6.955 675 HG3 GLU 90 HG1 GLU 90 -3.298 -2.818 7.856 676 H HIS 91 HN HIS 91 -3.224 -1.365 6.074 677 HA HIS 91 HA HIS 91 -4.679 0.481 7.590 678 HB2 HIS 91 HB2 HIS 91 -2.317 0.629 7.666 679 HB3 HIS 91 HB1 HIS 91 -2.188 0.710 5.908 680 HD1 HIS 91 HD1 HIS 91 -3.451 2.815 8.818 681 HD2 HIS 91 HD2 HIS 91 -2.142 3.188 4.894 682 HE1 HIS 91 HE1 HIS 91 -3.295 5.288 8.397 683 HE2 HIS 91 HE2 HIS 91 -2.669 5.496 5.969 684 H LEU 92 HN LEU 92 -4.497 -0.158 4.198 685 HA LEU 92 HA LEU 92 -5.625 2.325 3.388 686 HB2 LEU 92 HB2 LEU 92 -4.857 -0.219 2.079 687 HB3 LEU 92 HB1 LEU 92 -6.106 0.734 1.282 688 HG LEU 92 HG LEU 92 -4.669 2.529 0.881 689 HD11 LEU 92 HD11 LEU 92 -2.331 2.556 1.925 690 HD12 LEU 92 HD12 LEU 92 -2.986 1.410 3.094 691 HD13 LEU 92 HD13 LEU 92 -3.694 3.021 2.940 692 HD21 LEU 92 HD21 LEU 92 -2.953 0.067 0.721 693 HD22 LEU 92 HD22 LEU 92 -2.668 1.580 -0.140 694 HD23 LEU 92 HD23 LEU 92 -4.102 0.617 -0.499 695 H LEU 93 HN LEU 93 -6.867 -0.359 4.887 696 HA LEU 93 HA LEU 93 -9.569 -0.238 3.862 697 HB2 LEU 93 HB2 LEU 93 -8.351 -1.553 6.266 698 HB3 LEU 93 HB1 LEU 93 -10.080 -1.537 6.001 699 HG LEU 93 HG LEU 93 -9.936 -3.001 4.183 700 HD11 LEU 93 HD11 LEU 93 -8.181 -1.949 2.913 701 HD12 LEU 93 HD12 LEU 93 -7.781 -3.653 3.146 702 HD13 LEU 93 HD13 LEU 93 -6.978 -2.414 4.117 703 HD21 LEU 93 HD21 LEU 93 -8.778 -4.892 5.071 704 HD22 LEU 93 HD22 LEU 93 -9.438 -3.965 6.419 705 HD23 LEU 93 HD23 LEU 93 -7.719 -3.852 6.028 706 H GLU 94 HN GLU 94 -7.675 1.021 6.410 707 HA GLU 94 HA GLU 94 -9.645 2.048 8.115 708 HB2 GLU 94 HB2 GLU 94 -6.804 2.839 7.530 709 HB3 GLU 94 HB1 GLU 94 -7.727 3.488 8.892 710 HG2 GLU 94 HG2 GLU 94 -6.860 0.646 8.415 711 HG3 GLU 94 HG1 GLU 94 -6.343 1.727 9.705 712 H GLN 95 HN GLN 95 -8.345 3.134 5.111 713 HA GLN 95 HA GLN 95 -9.272 5.844 5.325 714 HB2 GLN 95 HB2 GLN 95 -8.459 4.415 2.813 715 HB3 GLN 95 HB1 GLN 95 -8.222 6.105 3.241 716 HG2 GLN 95 HG2 GLN 95 -6.847 3.834 4.636 717 HG3 GLN 95 HG1 GLN 95 -6.166 4.683 3.258 718 HE21 GLN 95 HE21 GLN 95 -5.346 4.415 6.071 719 HE22 GLN 95 HE22 GLN 95 -5.131 6.031 6.645 720 H ILE 96 HN ILE 96 -10.524 2.814 4.388 721 HA ILE 96 HA ILE 96 -12.199 3.633 2.255 722 HB ILE 96 HB ILE 96 -12.151 1.116 3.895 723 HG12 ILE 96 HG12 ILE 96 -10.033 1.780 2.856 724 HG13 ILE 96 HG11 ILE 96 -10.662 0.292 2.191 725 HG21 ILE 96 HG21 ILE 96 -14.219 1.437 2.524 726 HG22 ILE 96 HG22 ILE 96 -13.268 0.005 2.136 727 HG23 ILE 96 HG23 ILE 96 -13.179 1.425 1.098 728 HD11 ILE 96 HD11 ILE 96 -10.977 2.996 0.912 729 HD12 ILE 96 HD12 ILE 96 -11.387 1.431 0.206 730 HD13 ILE 96 HD13 ILE 96 -9.699 1.845 0.513 731 HA PRO 97 HA PRO 97 -15.648 5.180 4.396 732 HB2 PRO 97 HB2 PRO 97 -17.428 5.185 2.415 733 HB3 PRO 97 HB1 PRO 97 -15.965 6.177 2.334 734 HG2 PRO 97 HG2 PRO 97 -16.461 3.476 1.137 735 HG3 PRO 97 HG1 PRO 97 -15.818 4.923 0.355 736 HD2 PRO 97 HD2 PRO 97 -14.225 2.967 1.277 737 HD3 PRO 97 HD1 PRO 97 -13.748 4.662 1.306 738 H GLY 98 HN GLY 98 -15.846 3.218 5.841 739 HA2 GLY 98 HA2 GLY 98 -17.515 2.084 6.988 740 HA3 GLY 98 HA1 GLY 98 -18.581 2.319 5.616 741 H ILE 99 HN ILE 99 -17.517 1.064 3.590 742 HA ILE 99 HA ILE 99 -17.988 -1.650 3.969 743 HB ILE 99 HB ILE 99 -16.449 -1.751 1.775 744 HG12 ILE 99 HG12 ILE 99 -17.492 1.027 1.509 745 HG13 ILE 99 HG11 ILE 99 -15.996 0.795 2.403 746 HG21 ILE 99 HG21 ILE 99 -18.471 -1.258 0.468 747 HG22 ILE 99 HG22 ILE 99 -19.222 -0.579 1.911 748 HG23 ILE 99 HG23 ILE 99 -18.812 -2.293 1.855 749 HD11 ILE 99 HD11 ILE 99 -15.503 1.347 0.135 750 HD12 ILE 99 HD12 ILE 99 -16.522 0.026 -0.455 751 HD13 ILE 99 HD13 ILE 99 -15.039 -0.330 0.441 752 H GLY 100 HN GLY 100 -14.998 0.158 4.207 753 HA2 GLY 100 HA2 GLY 100 -13.577 -2.346 4.824 754 HA3 GLY 100 HA1 GLY 100 -12.827 -0.963 4.029
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