NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
650239 | 6xtt | 34480 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET -14 HT1 MET -14 40.357 -7.997 2.354 2 H2 MET -14 HT2 MET -14 40.757 -9.587 1.948 3 H3 MET -14 HT3 MET -14 41.730 -8.311 1.421 4 HA MET -14 HA MET -14 42.325 -7.786 3.692 5 HB2 MET -14 HB2 MET -14 40.600 -10.197 4.270 6 HB3 MET -14 HB1 MET -14 41.748 -9.537 5.425 7 HG2 MET -14 HG2 MET -14 40.552 -7.438 5.468 8 HG3 MET -14 HG1 MET -14 39.439 -8.022 4.236 9 HE1 MET -14 HE1 MET -14 37.666 -9.930 4.619 10 HE2 MET -14 HE2 MET -14 37.481 -10.820 6.130 11 HE3 MET -14 HE3 MET -14 38.931 -11.038 5.151 12 H ALA -13 HN ALA -13 44.206 -8.172 2.466 13 HA ALA -13 HA ALA -13 45.514 -10.670 3.171 14 HB1 ALA -13 HB1 ALA -13 44.541 -11.160 0.983 15 HB2 ALA -13 HB2 ALA -13 46.301 -11.094 0.896 16 HB3 ALA -13 HB3 ALA -13 45.337 -9.740 0.305 17 H HIS -12 HN HIS -12 45.552 -7.548 3.399 18 HA HIS -12 HA HIS -12 48.466 -7.329 3.249 19 HB2 HIS -12 HB2 HIS -12 46.533 -5.317 2.074 20 HB3 HIS -12 HB1 HIS -12 48.240 -4.998 2.346 21 HD1 HIS -12 HD1 HIS -12 49.927 -6.144 0.737 22 HD2 HIS -12 HD2 HIS -12 45.941 -6.887 -0.153 23 HE1 HIS -12 HE1 HIS -12 49.924 -7.120 -1.578 24 HE2 HIS -12 HE2 HIS -12 47.490 -7.407 -2.157 25 H HIS -11 HN HIS -11 49.146 -6.766 5.214 26 HA HIS -11 HA HIS -11 47.283 -5.266 6.933 27 HB2 HIS -11 HB2 HIS -11 49.503 -7.183 7.621 28 HB3 HIS -11 HB1 HIS -11 48.740 -6.146 8.818 29 HD1 HIS -11 HD1 HIS -11 46.553 -6.919 9.785 30 HD2 HIS -11 HD2 HIS -11 47.728 -9.146 6.481 31 HE1 HIS -11 HE1 HIS -11 44.965 -8.863 9.680 32 HE2 HIS -11 HE2 HIS -11 45.579 -10.084 7.568 33 H HIS -10 HN HIS -10 50.717 -5.493 6.057 34 HA HIS -10 HA HIS -10 51.193 -2.933 7.393 35 HB2 HIS -10 HB2 HIS -10 52.721 -4.873 7.803 36 HB3 HIS -10 HB1 HIS -10 53.193 -4.807 6.110 37 HD1 HIS -10 HD1 HIS -10 53.752 -3.174 9.391 38 HD2 HIS -10 HD2 HIS -10 54.832 -2.592 5.421 39 HE1 HIS -10 HE1 HIS -10 55.621 -1.497 9.439 40 HE2 HIS -10 HE2 HIS -10 56.123 -1.021 7.018 41 H HIS -9 HN HIS -9 51.177 -4.406 4.220 42 HA HIS -9 HA HIS -9 52.111 -1.890 3.018 43 HB2 HIS -9 HB2 HIS -9 51.835 -4.599 1.697 44 HB3 HIS -9 HB1 HIS -9 52.612 -3.175 1.021 45 HD1 HIS -9 HD1 HIS -9 53.296 -6.193 2.929 46 HD2 HIS -9 HD2 HIS -9 55.078 -2.469 2.444 47 HE1 HIS -9 HE1 HIS -9 55.646 -6.452 3.777 48 HE2 HIS -9 HE2 HIS -9 56.746 -4.231 3.336 49 H HIS -8 HN HIS -8 50.340 -0.615 2.727 50 HA HIS -8 HA HIS -8 48.020 -1.851 1.402 51 HB2 HIS -8 HB2 HIS -8 48.199 0.603 3.149 52 HB3 HIS -8 HB1 HIS -8 46.779 0.215 2.184 53 HD1 HIS -8 HD1 HIS -8 47.767 0.004 5.499 54 HD2 HIS -8 HD2 HIS -8 46.112 -2.757 2.869 55 HE1 HIS -8 HE1 HIS -8 46.722 -1.768 6.945 56 HE2 HIS -8 HE2 HIS -8 45.740 -3.440 5.333 57 H HIS -7 HN HIS -7 48.571 -1.705 -0.689 58 HA HIS -7 HA HIS -7 48.980 1.005 -1.775 59 HB2 HIS -7 HB2 HIS -7 50.127 -1.598 -2.816 60 HB3 HIS -7 HB1 HIS -7 50.279 -0.040 -3.612 61 HD1 HIS -7 HD1 HIS -7 51.935 1.661 -2.590 62 HD2 HIS -7 HD2 HIS -7 51.814 -2.000 -0.630 63 HE1 HIS -7 HE1 HIS -7 53.946 1.634 -1.078 64 HE2 HIS -7 HE2 HIS -7 53.953 -0.667 -0.061 65 H VAL -6 HN VAL -6 46.496 0.487 -1.508 66 HA VAL -6 HA VAL -6 45.506 -1.036 -3.796 67 HB VAL -6 HB VAL -6 43.253 -0.748 -2.656 68 HG11 VAL -6 HG11 VAL -6 45.443 -2.227 -1.202 69 HG12 VAL -6 HG12 VAL -6 44.507 -2.827 -2.569 70 HG13 VAL -6 HG13 VAL -6 43.715 -2.524 -1.024 71 HG21 VAL -6 HG21 VAL -6 43.284 -0.240 -0.260 72 HG22 VAL -6 HG22 VAL -6 43.834 1.141 -1.209 73 HG23 VAL -6 HG23 VAL -6 45.005 0.134 -0.358 74 H ASP -5 HN ASP -5 45.678 0.305 -5.518 75 HA ASP -5 HA ASP -5 44.794 3.037 -5.452 76 HB2 ASP -5 HB2 ASP -5 45.403 1.226 -7.800 77 HB3 ASP -5 HB1 ASP -5 45.062 2.946 -7.925 78 H ASP -4 HN ASP -4 43.414 -0.047 -6.043 79 HA ASP -4 HA ASP -4 40.797 1.195 -6.382 80 HB2 ASP -4 HB2 ASP -4 40.165 -0.322 -8.177 81 HB3 ASP -4 HB1 ASP -4 41.587 0.595 -8.659 82 H ASP -3 HN ASP -3 39.203 0.168 -5.319 83 HA ASP -3 HA ASP -3 39.219 -2.597 -4.677 84 HB2 ASP -3 HB2 ASP -3 40.860 -1.577 -2.960 85 HB3 ASP -3 HB1 ASP -3 39.445 -0.808 -2.251 86 H ASP -2 HN ASP -2 37.282 -3.063 -3.171 87 HA ASP -2 HA ASP -2 35.022 -3.016 -2.986 88 HB2 ASP -2 HB2 ASP -2 35.623 -0.076 -2.691 89 HB3 ASP -2 HB1 ASP -2 33.989 -0.715 -2.558 90 H LYS -1 HN LYS -1 35.760 -3.426 -5.488 91 HA LYS -1 HA LYS -1 34.476 -1.516 -7.263 92 HB2 LYS -1 HB2 LYS -1 35.786 -4.144 -7.974 93 HB3 LYS -1 HB1 LYS -1 35.436 -2.801 -9.053 94 HG2 LYS -1 HG2 LYS -1 37.064 -1.419 -7.848 95 HG3 LYS -1 HG1 LYS -1 37.424 -2.783 -6.789 96 HD2 LYS -1 HD2 LYS -1 39.115 -3.002 -8.319 97 HD3 LYS -1 HD1 LYS -1 37.882 -4.007 -9.078 98 HE2 LYS -1 HE2 LYS -1 38.427 -1.115 -9.740 99 HE3 LYS -1 HE1 LYS -1 39.003 -2.493 -10.671 100 HZ1 LYS -1 HZ1 LYS -1 37.041 -1.554 -11.671 101 HZ2 LYS -1 HZ2 LYS -1 36.165 -1.737 -10.240 102 HZ3 LYS -1 HZ3 LYS -1 36.687 -3.101 -11.089 103 H MET 0 HN MET 0 34.240 -4.965 -6.471 104 HA MET 0 HA MET 0 31.547 -5.025 -7.644 105 HB2 MET 0 HB2 MET 0 33.264 -6.712 -8.356 106 HB3 MET 0 HB1 MET 0 33.275 -7.325 -6.711 107 HG2 MET 0 HG2 MET 0 31.911 -8.734 -8.105 108 HG3 MET 0 HG1 MET 0 30.901 -7.904 -6.923 109 HE1 MET 0 HE1 MET 0 28.578 -8.231 -10.076 110 HE2 MET 0 HE2 MET 0 28.742 -8.575 -8.354 111 HE3 MET 0 HE3 MET 0 29.786 -9.388 -9.520 112 H GLU 1 HN GLU 1 32.958 -4.415 -4.784 113 HA GLU 1 HA GLU 1 31.304 -6.075 -3.074 114 HB2 GLU 1 HB2 GLU 1 33.340 -3.949 -2.391 115 HB3 GLU 1 HB1 GLU 1 32.564 -5.026 -1.239 116 HG2 GLU 1 HG2 GLU 1 34.278 -5.966 -3.522 117 HG3 GLU 1 HG1 GLU 1 34.876 -5.681 -1.891 118 H ASP 2 HN ASP 2 29.817 -4.264 -4.672 119 HA ASP 2 HA ASP 2 28.331 -2.964 -2.577 120 HB2 ASP 2 HB2 ASP 2 29.904 -1.178 -3.039 121 HB3 ASP 2 HB1 ASP 2 29.591 -1.302 -4.768 122 H THR 3 HN THR 3 26.235 -3.030 -3.003 123 HA THR 3 HA THR 3 25.211 -2.735 -5.684 124 HB THR 3 HB THR 3 24.569 -5.278 -4.163 125 HG1 THR 3 HG1 THR 3 26.599 -4.689 -5.858 126 HG21 THR 3 HG21 THR 3 23.761 -4.317 -6.912 127 HG22 THR 3 HG22 THR 3 22.706 -4.459 -5.506 128 HG23 THR 3 HG23 THR 3 23.397 -5.906 -6.241 129 H ALA 4 HN ALA 4 23.611 -1.315 -5.408 130 HA ALA 4 HA ALA 4 22.424 -0.928 -2.811 131 HB1 ALA 4 HB1 ALA 4 21.831 0.450 -5.427 132 HB2 ALA 4 HB2 ALA 4 23.005 0.985 -4.225 133 HB3 ALA 4 HB3 ALA 4 21.286 0.964 -3.831 134 H ASN 5 HN ASN 5 21.070 -2.560 -2.268 135 HA ASN 5 HA ASN 5 18.936 -3.285 -4.141 136 HB2 ASN 5 HB2 ASN 5 19.793 -4.545 -1.530 137 HB3 ASN 5 HB1 ASN 5 18.423 -5.089 -2.489 138 HD21 ASN 5 HD21 ASN 5 21.864 -4.973 -2.212 139 HD22 ASN 5 HD22 ASN 5 22.209 -6.093 -3.484 140 HA PRO 6 HA PRO 6 16.038 -0.753 -1.898 141 HB2 PRO 6 HB2 PRO 6 13.973 -2.627 -2.846 142 HB3 PRO 6 HB1 PRO 6 14.153 -0.901 -3.170 143 HG2 PRO 6 HG2 PRO 6 14.619 -2.748 -5.061 144 HG3 PRO 6 HG1 PRO 6 15.562 -1.249 -4.964 145 HD2 PRO 6 HD2 PRO 6 16.294 -4.012 -4.062 146 HD3 PRO 6 HD1 PRO 6 17.288 -2.795 -4.888 147 H ASN 7 HN ASN 7 16.541 -1.247 0.218 148 HA ASN 7 HA ASN 7 15.943 -3.649 1.555 149 HB2 ASN 7 HB2 ASN 7 17.495 -1.873 2.381 150 HB3 ASN 7 HB1 ASN 7 16.102 -0.856 2.718 151 HD21 ASN 7 HD21 ASN 7 18.208 -1.995 4.451 152 HD22 ASN 7 HD22 ASN 7 17.363 -2.836 5.701 153 H GLU 8 HN GLU 8 14.237 -0.529 1.635 154 HA GLU 8 HA GLU 8 11.720 -2.031 1.809 155 HB2 GLU 8 HB2 GLU 8 10.736 -0.290 3.140 156 HB3 GLU 8 HB1 GLU 8 12.212 -0.829 3.925 157 HG2 GLU 8 HG2 GLU 8 12.101 1.569 2.148 158 HG3 GLU 8 HG1 GLU 8 11.782 1.653 3.878 159 H MET 9 HN MET 9 9.919 -0.145 1.276 160 HA MET 9 HA MET 9 10.635 0.579 -1.477 161 HB2 MET 9 HB2 MET 9 8.105 0.619 -1.776 162 HB3 MET 9 HB1 MET 9 8.845 -0.951 -1.513 163 HG2 MET 9 HG2 MET 9 8.251 -0.698 0.917 164 HG3 MET 9 HG1 MET 9 7.295 0.704 0.446 165 HE1 MET 9 HE1 MET 9 7.835 -2.713 -1.509 166 HE2 MET 9 HE2 MET 9 6.449 -3.627 -0.918 167 HE3 MET 9 HE3 MET 9 7.738 -3.166 0.193 168 H THR 10 HN THR 10 10.351 2.623 -2.237 169 HA THR 10 HA THR 10 10.263 4.763 -0.382 170 HB THR 10 HB THR 10 10.081 6.201 -2.444 171 HG1 THR 10 HG1 THR 10 10.392 5.013 -4.453 172 HG21 THR 10 HG21 THR 10 12.323 5.619 -3.291 173 HG22 THR 10 HG22 THR 10 12.235 4.084 -2.425 174 HG23 THR 10 HG23 THR 10 12.256 5.602 -1.529 175 H LYS 11 HN LYS 11 8.624 6.611 -0.599 176 HA LYS 11 HA LYS 11 6.101 5.647 0.073 177 HB2 LYS 11 HB2 LYS 11 5.320 7.963 -0.086 178 HB3 LYS 11 HB1 LYS 11 6.853 7.851 0.761 179 HG2 LYS 11 HG2 LYS 11 7.967 8.494 -1.397 180 HG3 LYS 11 HG1 LYS 11 6.357 8.836 -2.033 181 HD2 LYS 11 HD2 LYS 11 7.630 10.118 0.384 182 HD3 LYS 11 HD1 LYS 11 7.417 10.869 -1.197 183 HE2 LYS 11 HE2 LYS 11 5.001 10.741 -0.955 184 HE3 LYS 11 HE1 LYS 11 5.182 9.906 0.586 185 HZ1 LYS 11 HZ1 LYS 11 6.195 12.642 0.059 186 HZ2 LYS 11 HZ2 LYS 11 6.155 11.845 1.545 187 HZ3 LYS 11 HZ3 LYS 11 4.709 12.311 0.795 188 H ASP 12 HN ASP 12 7.375 6.599 -3.056 189 HA ASP 12 HA ASP 12 4.828 6.556 -4.376 190 HB2 ASP 12 HB2 ASP 12 6.666 7.919 -5.235 191 HB3 ASP 12 HB1 ASP 12 7.629 6.472 -5.512 192 H ALA 13 HN ALA 13 7.606 4.367 -4.208 193 HA ALA 13 HA ALA 13 6.567 2.397 -5.937 194 HB1 ALA 13 HB1 ALA 13 8.935 2.552 -5.389 195 HB2 ALA 13 HB2 ALA 13 8.302 0.951 -5.008 196 HB3 ALA 13 HB3 ALA 13 8.584 2.119 -3.717 197 H TRP 14 HN TRP 14 6.357 2.907 -2.467 198 HA TRP 14 HA TRP 14 5.131 0.494 -1.756 199 HB2 TRP 14 HB2 TRP 14 5.988 2.022 -0.072 200 HB3 TRP 14 HB1 TRP 14 4.813 3.247 -0.543 201 HD1 TRP 14 HD1 TRP 14 4.877 -0.300 0.996 202 HE1 TRP 14 HE1 TRP 14 2.836 -0.543 2.535 203 HE3 TRP 14 HE3 TRP 14 2.616 4.200 0.066 204 HZ2 TRP 14 HZ2 TRP 14 0.590 0.971 3.281 205 HZ3 TRP 14 HZ3 TRP 14 0.525 4.717 1.254 206 HH2 TRP 14 HH2 TRP 14 -0.463 3.133 2.822 207 H LEU 15 HN LEU 15 3.672 3.639 -2.535 208 HA LEU 15 HA LEU 15 0.998 2.898 -2.450 209 HB2 LEU 15 HB2 LEU 15 2.381 4.875 -4.266 210 HB3 LEU 15 HB1 LEU 15 0.644 4.753 -4.081 211 HG LEU 15 HG LEU 15 2.490 5.367 -1.789 212 HD11 LEU 15 HD11 LEU 15 2.769 7.123 -3.403 213 HD12 LEU 15 HD12 LEU 15 1.737 7.711 -2.096 214 HD13 LEU 15 HD13 LEU 15 1.024 7.239 -3.638 215 HD21 LEU 15 HD21 LEU 15 0.395 6.233 -0.788 216 HD22 LEU 15 HD22 LEU 15 0.351 4.500 -1.105 217 HD23 LEU 15 HD23 LEU 15 -0.489 5.613 -2.182 218 H ASN 16 HN ASN 16 3.305 2.733 -5.115 219 HA ASN 16 HA ASN 16 1.567 1.905 -7.134 220 HB2 ASN 16 HB2 ASN 16 3.837 2.686 -7.578 221 HB3 ASN 16 HB1 ASN 16 4.504 1.279 -6.758 222 HD21 ASN 16 HD21 ASN 16 2.860 2.430 -9.597 223 HD22 ASN 16 HD22 ASN 16 3.139 1.027 -10.569 224 H SER 17 HN SER 17 3.421 -0.008 -4.798 225 HA SER 17 HA SER 17 2.333 -2.473 -5.887 226 HB2 SER 17 HB2 SER 17 4.299 -1.956 -3.649 227 HB3 SER 17 HB1 SER 17 3.828 -3.559 -4.217 228 HG SER 17 HG SER 17 4.492 -2.372 -6.380 229 H MET 18 HN MET 18 1.036 -0.249 -3.923 230 HA MET 18 HA MET 18 -0.093 -2.234 -2.058 231 HB2 MET 18 HB2 MET 18 1.155 -0.339 -1.024 232 HB3 MET 18 HB1 MET 18 -0.017 0.768 -1.727 233 HG2 MET 18 HG2 MET 18 -0.566 0.389 0.571 234 HG3 MET 18 HG1 MET 18 -1.799 -0.351 -0.449 235 HE1 MET 18 HE1 MET 18 -1.505 -1.040 2.629 236 HE2 MET 18 HE2 MET 18 -1.654 -2.797 2.613 237 HE3 MET 18 HE3 MET 18 -2.700 -1.814 1.590 238 H THR 19 HN THR 19 -0.906 0.483 -4.168 239 HA THR 19 HA THR 19 -3.548 0.819 -3.487 240 HB THR 19 HB THR 19 -3.796 1.575 -5.975 241 HG1 THR 19 HG1 THR 19 -1.069 2.007 -5.979 242 HG21 THR 19 HG21 THR 19 -1.900 2.934 -4.060 243 HG22 THR 19 HG22 THR 19 -3.658 3.069 -4.042 244 HG23 THR 19 HG23 THR 19 -2.739 3.704 -5.406 245 HA PRO 20 HA PRO 20 -5.098 -2.170 -6.802 246 HB2 PRO 20 HB2 PRO 20 -3.513 -3.867 -8.101 247 HB3 PRO 20 HB1 PRO 20 -3.593 -2.154 -8.542 248 HG2 PRO 20 HG2 PRO 20 -1.532 -3.587 -6.908 249 HG3 PRO 20 HG1 PRO 20 -1.303 -2.387 -8.193 250 HD2 PRO 20 HD2 PRO 20 -1.250 -1.804 -5.507 251 HD3 PRO 20 HD1 PRO 20 -1.649 -0.630 -6.775 252 H LEU 21 HN LEU 21 -3.105 -3.105 -4.261 253 HA LEU 21 HA LEU 21 -4.180 -5.825 -4.168 254 HB2 LEU 21 HB2 LEU 21 -2.169 -4.421 -2.408 255 HB3 LEU 21 HB1 LEU 21 -2.719 -6.067 -2.159 256 HG LEU 21 HG LEU 21 -1.164 -5.043 -4.537 257 HD11 LEU 21 HD11 LEU 21 -0.413 -6.950 -2.326 258 HD12 LEU 21 HD12 LEU 21 0.166 -5.294 -2.509 259 HD13 LEU 21 HD13 LEU 21 0.593 -6.515 -3.708 260 HD21 LEU 21 HD21 LEU 21 -2.232 -7.801 -3.943 261 HD22 LEU 21 HD22 LEU 21 -1.091 -7.411 -5.228 262 HD23 LEU 21 HD23 LEU 21 -2.721 -6.743 -5.267 263 H LEU 22 HN LEU 22 -4.868 -2.725 -3.090 264 HA LEU 22 HA LEU 22 -6.038 -3.297 -0.584 265 HB2 LEU 22 HB2 LEU 22 -6.469 -1.016 -2.502 266 HB3 LEU 22 HB1 LEU 22 -7.202 -1.096 -0.912 267 HG LEU 22 HG LEU 22 -4.220 -1.145 -1.365 268 HD11 LEU 22 HD11 LEU 22 -5.186 0.961 -2.180 269 HD12 LEU 22 HD12 LEU 22 -4.207 1.191 -0.733 270 HD13 LEU 22 HD13 LEU 22 -5.965 1.194 -0.616 271 HD21 LEU 22 HD21 LEU 22 -4.176 -0.519 1.024 272 HD22 LEU 22 HD22 LEU 22 -4.897 -2.104 0.746 273 HD23 LEU 22 HD23 LEU 22 -5.928 -0.712 1.083 274 HA PRO 23 HA PRO 23 -10.234 -3.337 -3.315 275 HB2 PRO 23 HB2 PRO 23 -8.899 -4.874 -5.507 276 HB3 PRO 23 HB1 PRO 23 -10.285 -3.785 -5.582 277 HG2 PRO 23 HG2 PRO 23 -7.939 -2.929 -6.399 278 HG3 PRO 23 HG1 PRO 23 -8.972 -1.883 -5.419 279 HD2 PRO 23 HD2 PRO 23 -6.545 -3.407 -4.616 280 HD3 PRO 23 HD1 PRO 23 -7.102 -1.805 -4.103 281 H ASP 24 HN ASP 24 -7.728 -5.798 -3.386 282 HA ASP 24 HA ASP 24 -9.385 -8.067 -3.290 283 HB2 ASP 24 HB2 ASP 24 -7.015 -8.151 -3.917 284 HB3 ASP 24 HB1 ASP 24 -6.553 -7.684 -2.284 285 H LEU 25 HN LEU 25 -7.751 -6.241 -0.723 286 HA LEU 25 HA LEU 25 -8.784 -7.952 1.340 287 HB2 LEU 25 HB2 LEU 25 -7.290 -5.336 1.482 288 HB3 LEU 25 HB1 LEU 25 -7.690 -6.329 2.869 289 HG LEU 25 HG LEU 25 -5.890 -7.148 0.588 290 HD11 LEU 25 HD11 LEU 25 -4.107 -7.025 2.259 291 HD12 LEU 25 HD12 LEU 25 -5.259 -6.407 3.442 292 HD13 LEU 25 HD13 LEU 25 -4.872 -5.456 2.008 293 HD21 LEU 25 HD21 LEU 25 -5.383 -9.091 2.009 294 HD22 LEU 25 HD22 LEU 25 -7.068 -9.058 1.496 295 HD23 LEU 25 HD23 LEU 25 -6.636 -8.576 3.137 296 H ILE 26 HN ILE 26 -9.613 -4.801 0.007 297 HA ILE 26 HA ILE 26 -11.233 -3.916 2.127 298 HB ILE 26 HB ILE 26 -11.471 -3.219 -0.803 299 HG12 ILE 26 HG12 ILE 26 -9.272 -2.680 0.130 300 HG13 ILE 26 HG11 ILE 26 -10.186 -1.212 -0.190 301 HG21 ILE 26 HG21 ILE 26 -12.584 -1.805 1.622 302 HG22 ILE 26 HG22 ILE 26 -13.518 -2.698 0.420 303 HG23 ILE 26 HG23 ILE 26 -12.666 -1.225 -0.042 304 HD11 ILE 26 HD11 ILE 26 -10.734 -1.042 2.187 305 HD12 ILE 26 HD12 ILE 26 -8.993 -1.054 1.907 306 HD13 ILE 26 HD13 ILE 26 -9.799 -2.505 2.499 307 H CYS 27 HN CYS 27 -12.132 -5.684 -0.855 308 HA CYS 27 HA CYS 27 -14.897 -5.727 -0.309 309 HB2 CYS 27 HB2 CYS 27 -13.813 -6.344 -2.528 310 HB3 CYS 27 HB1 CYS 27 -13.423 -7.900 -1.806 311 H LYS 28 HN LYS 28 -12.282 -7.943 0.525 312 HA LYS 28 HA LYS 28 -13.857 -9.956 1.686 313 HB2 LYS 28 HB2 LYS 28 -10.997 -9.138 2.206 314 HB3 LYS 28 HB1 LYS 28 -11.738 -10.588 2.872 315 HG2 LYS 28 HG2 LYS 28 -12.063 -11.505 0.688 316 HG3 LYS 28 HG1 LYS 28 -11.543 -10.000 -0.070 317 HD2 LYS 28 HD2 LYS 28 -9.306 -10.298 0.882 318 HD3 LYS 28 HD1 LYS 28 -9.829 -11.810 1.629 319 HE2 LYS 28 HE2 LYS 28 -10.212 -12.805 -0.521 320 HE3 LYS 28 HE1 LYS 28 -9.909 -11.272 -1.334 321 HZ1 LYS 28 HZ1 LYS 28 -7.635 -11.356 -0.725 322 HZ2 LYS 28 HZ2 LYS 28 -8.028 -12.865 -1.387 323 HZ3 LYS 28 HZ3 LYS 28 -7.877 -12.696 0.286 324 H GLY 29 HN GLY 29 -12.693 -6.895 2.912 325 HA2 GLY 29 HA2 GLY 29 -13.121 -7.340 5.660 326 HA3 GLY 29 HA1 GLY 29 -13.143 -5.773 4.864 327 H PHE 30 HN PHE 30 -15.328 -6.518 3.067 328 HA PHE 30 HA PHE 30 -17.513 -6.017 4.912 329 HB2 PHE 30 HB2 PHE 30 -17.415 -6.100 1.889 330 HB3 PHE 30 HB1 PHE 30 -18.861 -5.727 2.821 331 HD1 PHE 30 HD1 PHE 30 -18.817 -3.707 4.339 332 HD2 PHE 30 HD2 PHE 30 -15.856 -4.439 1.374 333 HE1 PHE 30 HE1 PHE 30 -18.169 -1.335 4.406 334 HE2 PHE 30 HE2 PHE 30 -15.201 -2.068 1.438 335 HZ PHE 30 HZ PHE 30 -16.358 -0.513 2.955 336 H ILE 31 HN ILE 31 -16.072 -8.686 3.495 337 HA ILE 31 HA ILE 31 -18.536 -10.264 3.455 338 HB ILE 31 HB ILE 31 -15.747 -11.048 2.590 339 HG12 ILE 31 HG12 ILE 31 -18.137 -10.190 0.940 340 HG13 ILE 31 HG11 ILE 31 -16.691 -9.228 1.219 341 HG21 ILE 31 HG21 ILE 31 -16.869 -12.918 1.472 342 HG22 ILE 31 HG22 ILE 31 -18.408 -12.397 2.158 343 HG23 ILE 31 HG23 ILE 31 -17.115 -12.958 3.217 344 HD11 ILE 31 HD11 ILE 31 -16.800 -11.857 -0.239 345 HD12 ILE 31 HD12 ILE 31 -15.355 -10.883 0.033 346 HD13 ILE 31 HD13 ILE 31 -16.661 -10.261 -0.977 347 H GLN 32 HN GLN 32 -15.341 -10.170 4.979 348 HA GLN 32 HA GLN 32 -15.622 -12.510 6.520 349 HB2 GLN 32 HB2 GLN 32 -13.903 -10.066 6.910 350 HB3 GLN 32 HB1 GLN 32 -13.757 -11.527 7.880 351 HG2 GLN 32 HG2 GLN 32 -13.229 -12.804 5.867 352 HG3 GLN 32 HG1 GLN 32 -13.375 -11.339 4.901 353 HE21 GLN 32 HE21 GLN 32 -11.465 -13.034 7.260 354 HE22 GLN 32 HE22 GLN 32 -10.043 -12.066 7.098 355 H ASP 33 HN ASP 33 -16.344 -9.114 7.260 356 HA ASP 33 HA ASP 33 -17.232 -9.728 9.917 357 HB2 ASP 33 HB2 ASP 33 -17.018 -7.298 8.221 358 HB3 ASP 33 HB1 ASP 33 -18.217 -7.285 9.490 359 HA PRO 34 HA PRO 34 -21.257 -11.123 8.439 360 HB2 PRO 34 HB2 PRO 34 -21.856 -11.039 11.334 361 HB3 PRO 34 HB1 PRO 34 -22.004 -12.382 10.197 362 HG2 PRO 34 HG2 PRO 34 -20.066 -12.317 12.038 363 HG3 PRO 34 HG1 PRO 34 -19.791 -12.990 10.421 364 HD2 PRO 34 HD2 PRO 34 -18.965 -10.346 11.543 365 HD3 PRO 34 HD1 PRO 34 -18.087 -11.434 10.449 366 H ASP 35 HN ASP 35 -20.570 -8.588 10.729 367 HA ASP 35 HA ASP 35 -23.045 -7.266 10.793 368 HB2 ASP 35 HB2 ASP 35 -20.320 -5.940 10.864 369 HB3 ASP 35 HB1 ASP 35 -21.821 -5.348 11.582 370 H LEU 36 HN LEU 36 -20.172 -6.678 8.825 371 HA LEU 36 HA LEU 36 -21.314 -4.617 7.279 372 HB2 LEU 36 HB2 LEU 36 -18.867 -6.342 7.008 373 HB3 LEU 36 HB1 LEU 36 -19.229 -5.026 5.914 374 HG LEU 36 HG LEU 36 -17.596 -4.715 7.917 375 HD11 LEU 36 HD11 LEU 36 -18.222 -2.309 7.998 376 HD12 LEU 36 HD12 LEU 36 -19.708 -2.725 7.137 377 HD13 LEU 36 HD13 LEU 36 -18.140 -2.960 6.360 378 HD21 LEU 36 HD21 LEU 36 -18.692 -3.579 9.829 379 HD22 LEU 36 HD22 LEU 36 -18.887 -5.329 9.759 380 HD23 LEU 36 HD23 LEU 36 -20.216 -4.273 9.272 381 H LYS 37 HN LYS 37 -20.948 -8.078 6.866 382 HA LYS 37 HA LYS 37 -21.434 -8.324 4.136 383 HB2 LYS 37 HB2 LYS 37 -20.671 -10.172 5.587 384 HB3 LYS 37 HB1 LYS 37 -22.253 -10.218 6.350 385 HG2 LYS 37 HG2 LYS 37 -22.157 -11.993 4.776 386 HG3 LYS 37 HG1 LYS 37 -23.230 -10.758 4.117 387 HD2 LYS 37 HD2 LYS 37 -21.293 -9.900 2.786 388 HD3 LYS 37 HD1 LYS 37 -20.367 -11.295 3.342 389 HE2 LYS 37 HE2 LYS 37 -22.913 -11.358 1.728 390 HE3 LYS 37 HE1 LYS 37 -21.290 -11.711 1.138 391 HZ1 LYS 37 HZ1 LYS 37 -22.529 -13.728 1.593 392 HZ2 LYS 37 HZ2 LYS 37 -22.750 -13.266 3.204 393 HZ3 LYS 37 HZ3 LYS 37 -21.199 -13.607 2.628 394 H LYS 38 HN LYS 38 -23.574 -7.685 6.768 395 HA LYS 38 HA LYS 38 -26.052 -8.323 5.763 396 HB2 LYS 38 HB2 LYS 38 -25.274 -5.865 7.333 397 HB3 LYS 38 HB1 LYS 38 -26.914 -6.480 7.152 398 HG2 LYS 38 HG2 LYS 38 -26.048 -8.630 8.195 399 HG3 LYS 38 HG1 LYS 38 -24.606 -7.695 8.621 400 HD2 LYS 38 HD2 LYS 38 -25.973 -6.119 9.865 401 HD3 LYS 38 HD1 LYS 38 -27.434 -6.994 9.400 402 HE2 LYS 38 HE2 LYS 38 -26.600 -8.980 10.582 403 HE3 LYS 38 HE1 LYS 38 -25.167 -8.077 11.069 404 HZ1 LYS 38 HZ1 LYS 38 -27.955 -7.365 11.804 405 HZ2 LYS 38 HZ2 LYS 38 -26.550 -6.583 12.326 406 HZ3 LYS 38 HZ3 LYS 38 -26.860 -8.172 12.811 407 H ARG 39 HN ARG 39 -24.246 -5.292 5.284 408 HA ARG 39 HA ARG 39 -26.312 -4.218 3.585 409 HB2 ARG 39 HB2 ARG 39 -25.056 -2.725 5.042 410 HB3 ARG 39 HB1 ARG 39 -23.549 -3.196 4.271 411 HG2 ARG 39 HG2 ARG 39 -24.305 -1.010 3.511 412 HG3 ARG 39 HG1 ARG 39 -24.272 -2.175 2.189 413 HD2 ARG 39 HD2 ARG 39 -26.278 -0.834 2.056 414 HD3 ARG 39 HD1 ARG 39 -26.695 -2.500 2.442 415 HE ARG 39 HE ARG 39 -27.139 -1.813 4.697 416 HH11 ARG 39 HH11 ARG 39 -26.589 0.810 2.442 417 HH12 ARG 39 HH12 ARG 39 -27.479 1.969 3.383 418 HH21 ARG 39 HH21 ARG 39 -28.317 -0.293 5.927 419 HH22 ARG 39 HH22 ARG 39 -28.463 1.340 5.364 420 H PHE 40 HN PHE 40 -23.263 -5.818 3.241 421 HA PHE 40 HA PHE 40 -22.648 -5.282 0.580 422 HB2 PHE 40 HB2 PHE 40 -21.201 -6.445 2.253 423 HB3 PHE 40 HB1 PHE 40 -22.215 -7.870 2.079 424 HD1 PHE 40 HD1 PHE 40 -21.661 -9.485 0.527 425 HD2 PHE 40 HD2 PHE 40 -20.115 -5.547 0.073 426 HE1 PHE 40 HE1 PHE 40 -20.257 -10.256 -1.338 427 HE2 PHE 40 HE2 PHE 40 -18.711 -6.311 -1.795 428 HZ PHE 40 HZ PHE 40 -18.779 -8.669 -2.503 429 H ASP 41 HN ASP 41 -24.701 -7.793 2.004 430 HA ASP 41 HA ASP 41 -25.415 -8.867 -0.577 431 HB2 ASP 41 HB2 ASP 41 -25.259 -10.365 1.333 432 HB3 ASP 41 HB1 ASP 41 -26.507 -9.456 2.178 433 H GLU 42 HN GLU 42 -26.722 -6.502 1.622 434 HA GLU 42 HA GLU 42 -29.388 -6.503 0.742 435 HB2 GLU 42 HB2 GLU 42 -27.668 -4.331 1.910 436 HB3 GLU 42 HB1 GLU 42 -29.345 -4.055 1.470 437 HG2 GLU 42 HG2 GLU 42 -28.304 -6.004 3.505 438 HG3 GLU 42 HG1 GLU 42 -29.235 -4.537 3.804 439 H ILE 43 HN ILE 43 -26.535 -4.871 -0.524 440 HA ILE 43 HA ILE 43 -28.120 -3.590 -2.610 441 HB ILE 43 HB ILE 43 -25.115 -3.494 -2.326 442 HG12 ILE 43 HG12 ILE 43 -26.054 -2.805 -0.186 443 HG13 ILE 43 HG11 ILE 43 -25.423 -1.404 -1.042 444 HG21 ILE 43 HG21 ILE 43 -27.092 -1.589 -3.573 445 HG22 ILE 43 HG22 ILE 43 -25.987 -2.660 -4.435 446 HG23 ILE 43 HG23 ILE 43 -25.350 -1.330 -3.463 447 HD11 ILE 43 HD11 ILE 43 -28.314 -2.200 -0.806 448 HD12 ILE 43 HD12 ILE 43 -27.709 -0.827 -1.734 449 HD13 ILE 43 HD13 ILE 43 -27.514 -0.861 0.019 450 H LYS 44 HN LYS 44 -27.062 -6.562 -2.128 451 HA LYS 44 HA LYS 44 -26.357 -8.358 -3.309 452 HB2 LYS 44 HB2 LYS 44 -27.717 -6.881 -5.568 453 HB3 LYS 44 HB1 LYS 44 -27.241 -8.571 -5.615 454 HG2 LYS 44 HG2 LYS 44 -29.335 -7.299 -3.873 455 HG3 LYS 44 HG1 LYS 44 -29.569 -8.483 -5.157 456 HD2 LYS 44 HD2 LYS 44 -28.161 -8.945 -2.529 457 HD3 LYS 44 HD1 LYS 44 -29.759 -9.533 -2.972 458 HE2 LYS 44 HE2 LYS 44 -28.750 -10.877 -4.763 459 HE3 LYS 44 HE1 LYS 44 -27.154 -10.300 -4.284 460 HZ1 LYS 44 HZ1 LYS 44 -27.613 -12.475 -3.350 461 HZ2 LYS 44 HZ2 LYS 44 -29.002 -11.890 -2.587 462 HZ3 LYS 44 HZ3 LYS 44 -27.478 -11.329 -2.108 463 H MET 45 HN MET 45 -24.331 -6.725 -2.878 464 HA MET 45 HA MET 45 -23.014 -6.090 -5.393 465 HB2 MET 45 HB2 MET 45 -23.050 -4.589 -3.334 466 HB3 MET 45 HB1 MET 45 -21.928 -5.726 -2.606 467 HG2 MET 45 HG2 MET 45 -20.246 -5.231 -4.157 468 HG3 MET 45 HG1 MET 45 -21.374 -4.418 -5.242 469 HE1 MET 45 HE1 MET 45 -22.245 -1.203 -3.130 470 HE2 MET 45 HE2 MET 45 -23.074 -2.751 -3.004 471 HE3 MET 45 HE3 MET 45 -22.612 -2.126 -4.587 472 H THR 46 HN THR 46 -21.004 -6.996 -5.995 473 HA THR 46 HA THR 46 -20.495 -9.587 -4.710 474 HB THR 46 HB THR 46 -19.726 -10.341 -6.998 475 HG1 THR 46 HG1 THR 46 -21.351 -8.370 -8.134 476 HG21 THR 46 HG21 THR 46 -21.861 -11.058 -6.068 477 HG22 THR 46 HG22 THR 46 -22.014 -10.775 -7.801 478 HG23 THR 46 HG23 THR 46 -22.631 -9.585 -6.655 479 H TYR 47 HN TYR 47 -18.326 -10.442 -4.981 480 HA TYR 47 HA TYR 47 -16.296 -8.816 -4.080 481 HB2 TYR 47 HB2 TYR 47 -16.354 -11.320 -4.107 482 HB3 TYR 47 HB1 TYR 47 -15.975 -11.274 -5.823 483 HD1 TYR 47 HD1 TYR 47 -13.741 -10.676 -6.588 484 HD2 TYR 47 HD2 TYR 47 -14.688 -10.811 -2.440 485 HE1 TYR 47 HE1 TYR 47 -11.342 -10.687 -6.042 486 HE2 TYR 47 HE2 TYR 47 -12.296 -10.817 -1.886 487 HH TYR 47 HH TYR 47 -9.871 -10.132 -4.172 488 H GLU 48 HN GLU 48 -16.933 -9.779 -7.442 489 HA GLU 48 HA GLU 48 -14.727 -8.447 -8.575 490 HB2 GLU 48 HB2 GLU 48 -17.354 -9.121 -9.906 491 HB3 GLU 48 HB1 GLU 48 -15.816 -8.817 -10.703 492 HG2 GLU 48 HG2 GLU 48 -14.877 -10.808 -9.621 493 HG3 GLU 48 HG1 GLU 48 -16.445 -11.126 -8.881 494 H GLN 49 HN GLN 49 -18.027 -7.441 -7.900 495 HA GLN 49 HA GLN 49 -17.981 -4.985 -9.277 496 HB2 GLN 49 HB2 GLN 49 -20.042 -6.065 -8.414 497 HB3 GLN 49 HB1 GLN 49 -19.523 -5.699 -6.774 498 HG2 GLN 49 HG2 GLN 49 -21.129 -4.069 -7.415 499 HG3 GLN 49 HG1 GLN 49 -19.547 -3.288 -7.377 500 HE21 GLN 49 HE21 GLN 49 -18.595 -2.630 -9.285 501 HE22 GLN 49 HE22 GLN 49 -19.470 -2.525 -10.774 502 H CYS 50 HN CYS 50 -16.916 -5.936 -6.077 503 HA CYS 50 HA CYS 50 -16.408 -3.379 -5.025 504 HB2 CYS 50 HB2 CYS 50 -14.820 -5.868 -4.412 505 HB3 CYS 50 HB1 CYS 50 -15.045 -4.466 -3.379 506 H VAL 51 HN VAL 51 -14.216 -5.719 -6.591 507 HA VAL 51 HA VAL 51 -11.956 -4.059 -6.257 508 HB VAL 51 HB VAL 51 -10.794 -5.629 -7.814 509 HG11 VAL 51 HG11 VAL 51 -10.886 -7.539 -6.271 510 HG12 VAL 51 HG12 VAL 51 -12.321 -6.844 -5.517 511 HG13 VAL 51 HG13 VAL 51 -10.775 -5.996 -5.422 512 HG21 VAL 51 HG21 VAL 51 -12.673 -6.256 -9.213 513 HG22 VAL 51 HG22 VAL 51 -13.473 -7.009 -7.834 514 HG23 VAL 51 HG23 VAL 51 -11.970 -7.686 -8.458 515 H THR 52 HN THR 52 -14.434 -3.921 -8.583 516 HA THR 52 HA THR 52 -12.716 -2.539 -10.477 517 HB THR 52 HB THR 52 -14.502 -4.014 -11.349 518 HG1 THR 52 HG1 THR 52 -13.972 -2.507 -12.819 519 HG21 THR 52 HG21 THR 52 -16.208 -3.597 -9.646 520 HG22 THR 52 HG22 THR 52 -16.830 -3.309 -11.271 521 HG23 THR 52 HG23 THR 52 -16.393 -1.948 -10.240 522 H LEU 53 HN LEU 53 -14.571 -1.805 -7.722 523 HA LEU 53 HA LEU 53 -14.918 0.987 -8.540 524 HB2 LEU 53 HB2 LEU 53 -15.866 -0.311 -6.004 525 HB3 LEU 53 HB1 LEU 53 -16.302 1.275 -6.608 526 HG LEU 53 HG LEU 53 -17.130 -1.405 -7.661 527 HD11 LEU 53 HD11 LEU 53 -19.389 -0.468 -7.321 528 HD12 LEU 53 HD12 LEU 53 -18.649 0.978 -6.628 529 HD13 LEU 53 HD13 LEU 53 -18.453 -0.584 -5.832 530 HD21 LEU 53 HD21 LEU 53 -18.294 -0.260 -9.467 531 HD22 LEU 53 HD22 LEU 53 -16.545 -0.068 -9.582 532 HD23 LEU 53 HD23 LEU 53 -17.542 1.262 -8.985 533 H ILE 54 HN ILE 54 -13.305 -1.049 -6.201 534 HA ILE 54 HA ILE 54 -12.467 0.827 -4.374 535 HB ILE 54 HB ILE 54 -10.928 -1.624 -5.232 536 HG12 ILE 54 HG12 ILE 54 -13.194 -2.175 -4.527 537 HG13 ILE 54 HG11 ILE 54 -12.048 -2.684 -3.293 538 HG21 ILE 54 HG21 ILE 54 -10.708 0.180 -2.839 539 HG22 ILE 54 HG22 ILE 54 -9.450 -0.273 -3.986 540 HG23 ILE 54 HG23 ILE 54 -10.074 -1.462 -2.848 541 HD11 ILE 54 HD11 ILE 54 -12.577 -0.627 -2.030 542 HD12 ILE 54 HD12 ILE 54 -13.953 -1.711 -2.238 543 HD13 ILE 54 HD13 ILE 54 -13.816 -0.259 -3.229 544 HA PRO 55 HA PRO 55 -8.426 1.490 -7.283 545 HB2 PRO 55 HB2 PRO 55 -10.122 1.531 -9.743 546 HB3 PRO 55 HB1 PRO 55 -8.418 1.099 -9.557 547 HG2 PRO 55 HG2 PRO 55 -10.246 -0.802 -9.821 548 HG3 PRO 55 HG1 PRO 55 -8.907 -0.993 -8.672 549 HD2 PRO 55 HD2 PRO 55 -11.772 -0.345 -8.162 550 HD3 PRO 55 HD1 PRO 55 -10.644 -1.316 -7.196 551 H GLU 56 HN GLU 56 -11.687 2.716 -7.377 552 HA GLU 56 HA GLU 56 -11.004 5.351 -8.269 553 HB2 GLU 56 HB2 GLU 56 -13.398 4.386 -6.688 554 HB3 GLU 56 HB1 GLU 56 -13.237 5.984 -7.399 555 HG2 GLU 56 HG2 GLU 56 -13.394 3.365 -8.871 556 HG3 GLU 56 HG1 GLU 56 -14.642 4.605 -8.774 557 H SER 57 HN SER 57 -11.356 3.771 -5.133 558 HA SER 57 HA SER 57 -10.911 6.264 -3.716 559 HB2 SER 57 HB2 SER 57 -12.546 4.510 -2.916 560 HB3 SER 57 HB1 SER 57 -11.159 3.490 -2.550 561 HG SER 57 HG SER 57 -12.154 5.659 -1.207 562 H THR 58 HN THR 58 -9.137 3.412 -4.670 563 HA THR 58 HA THR 58 -6.995 3.516 -2.886 564 HB THR 58 HB THR 58 -5.639 2.455 -4.696 565 HG1 THR 58 HG1 THR 58 -6.301 2.542 -6.705 566 HG21 THR 58 HG21 THR 58 -8.409 1.310 -4.363 567 HG22 THR 58 HG22 THR 58 -7.061 1.084 -3.249 568 HG23 THR 58 HG23 THR 58 -6.976 0.421 -4.883 569 H LYS 59 HN LYS 59 -7.474 5.159 -5.969 570 HA LYS 59 HA LYS 59 -5.008 6.571 -5.919 571 HB2 LYS 59 HB2 LYS 59 -6.503 6.044 -7.933 572 HB3 LYS 59 HB1 LYS 59 -7.495 7.398 -7.411 573 HG2 LYS 59 HG2 LYS 59 -5.993 8.115 -9.141 574 HG3 LYS 59 HG1 LYS 59 -5.535 8.876 -7.616 575 HD2 LYS 59 HD2 LYS 59 -3.718 7.341 -7.321 576 HD3 LYS 59 HD1 LYS 59 -4.244 6.376 -8.701 577 HE2 LYS 59 HE2 LYS 59 -3.259 9.224 -8.808 578 HE3 LYS 59 HE1 LYS 59 -2.332 7.797 -9.265 579 HZ1 LYS 59 HZ1 LYS 59 -4.785 8.823 -10.581 580 HZ2 LYS 59 HZ2 LYS 59 -4.055 7.347 -10.961 581 HZ3 LYS 59 HZ3 LYS 59 -3.221 8.794 -11.225 582 H LYS 60 HN LYS 60 -8.264 7.223 -4.803 583 HA LYS 60 HA LYS 60 -8.004 9.966 -4.269 584 HB2 LYS 60 HB2 LYS 60 -10.190 8.953 -4.312 585 HB3 LYS 60 HB1 LYS 60 -9.765 7.869 -2.994 586 HG2 LYS 60 HG2 LYS 60 -9.582 9.778 -1.478 587 HG3 LYS 60 HG1 LYS 60 -10.005 10.863 -2.801 588 HD2 LYS 60 HD2 LYS 60 -11.790 8.620 -1.881 589 HD3 LYS 60 HD1 LYS 60 -11.884 10.256 -1.226 590 HE2 LYS 60 HE2 LYS 60 -12.257 11.096 -3.534 591 HE3 LYS 60 HE1 LYS 60 -12.296 9.425 -4.094 592 HZ1 LYS 60 HZ1 LYS 60 -14.209 9.022 -2.670 593 HZ2 LYS 60 HZ2 LYS 60 -14.519 10.303 -3.738 594 HZ3 LYS 60 HZ3 LYS 60 -14.160 10.623 -2.119 595 H CYS 61 HN CYS 61 -7.826 7.236 -1.954 596 HA CYS 61 HA CYS 61 -6.987 8.927 0.169 597 HB2 CYS 61 HB2 CYS 61 -8.141 6.658 0.396 598 HB3 CYS 61 HB1 CYS 61 -6.570 5.938 0.063 599 H GLN 62 HN GLN 62 -5.321 7.266 -2.364 600 HA GLN 62 HA GLN 62 -2.732 7.158 -1.353 601 HB2 GLN 62 HB2 GLN 62 -3.308 6.166 -3.497 602 HB3 GLN 62 HB1 GLN 62 -3.682 7.745 -4.166 603 HG2 GLN 62 HG2 GLN 62 -0.945 7.274 -3.114 604 HG3 GLN 62 HG1 GLN 62 -1.395 6.526 -4.645 605 HE21 GLN 62 HE21 GLN 62 -3.170 8.733 -5.398 606 HE22 GLN 62 HE22 GLN 62 -2.134 10.043 -5.844 607 H ASP 63 HN ASP 63 -4.282 9.789 -3.186 608 HA ASP 63 HA ASP 63 -2.088 11.560 -2.964 609 HB2 ASP 63 HB2 ASP 63 -3.817 11.774 -4.709 610 HB3 ASP 63 HB1 ASP 63 -5.001 12.200 -3.479 611 H GLU 64 HN GLU 64 -4.743 10.812 -0.879 612 HA GLU 64 HA GLU 64 -4.784 13.126 0.721 613 HB2 GLU 64 HB2 GLU 64 -5.456 10.243 1.369 614 HB3 GLU 64 HB1 GLU 64 -5.750 11.591 2.465 615 HG2 GLU 64 HG2 GLU 64 -7.176 12.635 0.717 616 HG3 GLU 64 HG1 GLU 64 -6.974 11.174 -0.248 617 H LEU 65 HN LEU 65 -3.278 9.995 1.327 618 HA LEU 65 HA LEU 65 -1.913 11.021 3.644 619 HB2 LEU 65 HB2 LEU 65 -1.776 8.297 2.371 620 HB3 LEU 65 HB1 LEU 65 -1.222 8.726 3.979 621 HG LEU 65 HG LEU 65 -4.088 9.141 3.210 622 HD11 LEU 65 HD11 LEU 65 -2.839 6.584 4.176 623 HD12 LEU 65 HD12 LEU 65 -3.677 6.862 2.647 624 HD13 LEU 65 HD13 LEU 65 -4.570 6.925 4.164 625 HD21 LEU 65 HD21 LEU 65 -4.444 8.877 5.604 626 HD22 LEU 65 HD22 LEU 65 -3.270 10.153 5.279 627 HD23 LEU 65 HD23 LEU 65 -2.723 8.572 5.836 628 H TYR 66 HN TYR 66 -1.119 10.322 0.332 629 HA TYR 66 HA TYR 66 1.605 9.981 0.341 630 HB2 TYR 66 HB2 TYR 66 0.352 9.891 -1.703 631 HB3 TYR 66 HB1 TYR 66 -0.130 11.572 -1.550 632 HD1 TYR 66 HD1 TYR 66 1.175 13.283 -2.500 633 HD2 TYR 66 HD2 TYR 66 2.798 9.370 -2.137 634 HE1 TYR 66 HE1 TYR 66 3.069 13.942 -3.922 635 HE2 TYR 66 HE2 TYR 66 4.700 10.020 -3.547 636 HH TYR 66 HH TYR 66 5.129 11.757 -5.362 637 H ALA 67 HN ALA 67 -0.170 12.971 0.843 638 HA ALA 67 HA ALA 67 2.118 14.670 0.672 639 HB1 ALA 67 HB1 ALA 67 -0.137 15.486 0.207 640 HB2 ALA 67 HB2 ALA 67 0.632 16.420 1.490 641 HB3 ALA 67 HB3 ALA 67 -0.587 15.210 1.889 642 H SER 68 HN SER 68 0.814 12.681 3.150 643 HA SER 68 HA SER 68 2.234 14.176 5.244 644 HB2 SER 68 HB2 SER 68 0.237 11.932 5.590 645 HB3 SER 68 HB1 SER 68 0.830 13.037 6.831 646 HG SER 68 HG SER 68 -0.188 14.742 5.670 647 H MET 69 HN MET 69 2.497 11.425 3.292 648 HA MET 69 HA MET 69 3.778 9.680 5.154 649 HB2 MET 69 HB2 MET 69 3.575 9.662 2.150 650 HB3 MET 69 HB1 MET 69 4.443 8.432 3.050 651 HG2 MET 69 HG2 MET 69 2.248 8.108 4.331 652 HG3 MET 69 HG1 MET 69 1.511 9.006 3.006 653 HE1 MET 69 HE1 MET 69 2.578 6.705 -0.048 654 HE2 MET 69 HE2 MET 69 3.304 8.175 0.605 655 HE3 MET 69 HE3 MET 69 1.558 8.072 0.389 656 HA PRO 70 HA PRO 70 7.943 11.182 4.906 657 HB2 PRO 70 HB2 PRO 70 9.272 8.906 5.512 658 HB3 PRO 70 HB1 PRO 70 8.357 9.811 6.721 659 HG2 PRO 70 HG2 PRO 70 7.549 7.373 5.178 660 HG3 PRO 70 HG1 PRO 70 7.351 7.718 6.907 661 HD2 PRO 70 HD2 PRO 70 5.335 8.025 5.136 662 HD3 PRO 70 HD1 PRO 70 5.516 9.069 6.560 663 H ASP 71 HN ASP 71 10.116 10.418 3.860 664 HA ASP 71 HA ASP 71 9.693 10.275 1.088 665 HB2 ASP 71 HB2 ASP 71 11.732 11.221 2.158 666 HB3 ASP 71 HB1 ASP 71 12.232 9.585 2.578 667 H LYS 72 HN LYS 72 10.771 7.792 3.385 668 HA LYS 72 HA LYS 72 10.214 5.788 1.306 669 HB2 LYS 72 HB2 LYS 72 12.309 5.599 3.469 670 HB3 LYS 72 HB1 LYS 72 11.988 4.404 2.223 671 HG2 LYS 72 HG2 LYS 72 12.726 5.940 0.509 672 HG3 LYS 72 HG1 LYS 72 12.950 7.210 1.709 673 HD2 LYS 72 HD2 LYS 72 15.073 6.139 1.086 674 HD3 LYS 72 HD1 LYS 72 14.693 5.920 2.793 675 HE2 LYS 72 HE2 LYS 72 13.774 3.676 2.230 676 HE3 LYS 72 HE1 LYS 72 14.344 3.908 0.579 677 HZ1 LYS 72 HZ1 LYS 72 16.128 4.023 2.940 678 HZ2 LYS 72 HZ2 LYS 72 16.576 3.924 1.310 679 HZ3 LYS 72 HZ3 LYS 72 15.838 2.603 2.070 680 H ILE 73 HN ILE 73 9.240 3.872 1.939 681 HA ILE 73 HA ILE 73 7.835 4.074 4.513 682 HB ILE 73 HB ILE 73 7.066 2.546 2.024 683 HG12 ILE 73 HG12 ILE 73 6.915 4.993 1.746 684 HG13 ILE 73 HG11 ILE 73 5.329 4.230 1.723 685 HG21 ILE 73 HG21 ILE 73 6.244 1.488 4.063 686 HG22 ILE 73 HG22 ILE 73 4.921 2.187 3.130 687 HG23 ILE 73 HG23 ILE 73 5.518 3.013 4.568 688 HD11 ILE 73 HD11 ILE 73 6.554 5.694 4.053 689 HD12 ILE 73 HD12 ILE 73 4.962 4.933 4.034 690 HD13 ILE 73 HD13 ILE 73 5.296 6.307 2.979 691 H ASN 74 HN ASN 74 8.839 2.876 5.997 692 HA ASN 74 HA ASN 74 10.261 0.462 5.423 693 HB2 ASN 74 HB2 ASN 74 10.870 1.896 7.324 694 HB3 ASN 74 HB1 ASN 74 9.289 1.631 8.046 695 HD21 ASN 74 HD21 ASN 74 12.416 0.275 7.413 696 HD22 ASN 74 HD22 ASN 74 12.263 -1.084 8.475 697 H SER 75 HN SER 75 9.630 -1.671 6.491 698 HA SER 75 HA SER 75 7.154 -2.550 5.601 699 HB2 SER 75 HB2 SER 75 9.170 -3.964 6.250 700 HB3 SER 75 HB1 SER 75 8.632 -3.800 7.920 701 HG SER 75 HG SER 75 7.401 -5.135 5.767 702 H GLU 76 HN GLU 76 8.099 -1.472 8.859 703 HA GLU 76 HA GLU 76 5.584 -1.900 10.081 704 HB2 GLU 76 HB2 GLU 76 7.630 -1.570 11.384 705 HB3 GLU 76 HB1 GLU 76 7.775 0.069 10.769 706 HG2 GLU 76 HG2 GLU 76 5.719 0.696 11.902 707 HG3 GLU 76 HG1 GLU 76 5.530 -0.955 12.492 708 H THR 77 HN THR 77 7.023 0.855 8.441 709 HA THR 77 HA THR 77 5.049 2.777 8.975 710 HB THR 77 HB THR 77 6.779 2.591 6.497 711 HG1 THR 77 HG1 THR 77 7.425 3.755 9.021 712 HG21 THR 77 HG21 THR 77 5.504 4.905 7.949 713 HG22 THR 77 HG22 THR 77 5.200 4.369 6.296 714 HG23 THR 77 HG23 THR 77 6.751 5.093 6.716 715 H ALA 78 HN ALA 78 5.410 0.340 6.504 716 HA ALA 78 HA ALA 78 3.432 1.082 4.695 717 HB1 ALA 78 HB1 ALA 78 3.478 -1.270 4.005 718 HB2 ALA 78 HB2 ALA 78 4.375 -1.675 5.470 719 HB3 ALA 78 HB3 ALA 78 5.101 -0.626 4.253 720 H GLY 79 HN GLY 79 3.188 -1.014 7.560 721 HA2 GLY 79 HA2 GLY 79 0.480 -1.719 7.192 722 HA3 GLY 79 HA1 GLY 79 1.359 -1.793 8.712 723 H THR 80 HN THR 80 2.013 0.954 8.878 724 HA THR 80 HA THR 80 -0.253 1.917 10.229 725 HB THR 80 HB THR 80 2.158 3.469 9.266 726 HG1 THR 80 HG1 THR 80 1.890 1.511 11.109 727 HG21 THR 80 HG21 THR 80 0.317 4.921 9.980 728 HG22 THR 80 HG22 THR 80 1.657 4.982 11.126 729 HG23 THR 80 HG23 THR 80 0.213 4.043 11.507 730 H TRP 81 HN TRP 81 1.163 2.859 7.103 731 HA TRP 81 HA TRP 81 -0.974 4.740 6.624 732 HB2 TRP 81 HB2 TRP 81 1.338 3.840 4.897 733 HB3 TRP 81 HB1 TRP 81 0.187 5.099 4.443 734 HD1 TRP 81 HD1 TRP 81 3.304 4.531 6.455 735 HE1 TRP 81 HE1 TRP 81 4.035 6.734 7.575 736 HE3 TRP 81 HE3 TRP 81 -0.867 7.313 5.524 737 HZ2 TRP 81 HZ2 TRP 81 2.972 9.310 8.000 738 HZ3 TRP 81 HZ3 TRP 81 -0.940 9.638 6.315 739 HH2 TRP 81 HH2 TRP 81 0.941 10.619 7.531 740 H GLY 82 HN GLY 82 -0.204 1.463 5.786 741 HA2 GLY 82 HA2 GLY 82 -1.940 1.114 3.603 742 HA3 GLY 82 HA1 GLY 82 -1.404 -0.154 4.696 743 H ARG 83 HN ARG 83 -2.485 0.613 7.085 744 HA ARG 83 HA ARG 83 -5.198 -0.137 6.803 745 HB2 ARG 83 HB2 ARG 83 -5.384 0.122 9.180 746 HB3 ARG 83 HB1 ARG 83 -3.799 -0.557 8.841 747 HG2 ARG 83 HG2 ARG 83 -2.807 1.672 9.099 748 HG3 ARG 83 HG1 ARG 83 -4.402 2.318 9.489 749 HD2 ARG 83 HD2 ARG 83 -4.509 0.733 11.400 750 HD3 ARG 83 HD1 ARG 83 -2.849 0.257 11.043 751 HE ARG 83 HE ARG 83 -3.564 3.040 11.699 752 HH11 ARG 83 HH11 ARG 83 -1.592 0.193 12.206 753 HH12 ARG 83 HH12 ARG 83 -0.535 0.974 13.336 754 HH21 ARG 83 HH21 ARG 83 -2.178 4.065 13.193 755 HH22 ARG 83 HH22 ARG 83 -0.871 3.175 13.906 756 H SER 84 HN SER 84 -3.565 2.919 6.911 757 HA SER 84 HA SER 84 -5.796 4.571 7.443 758 HB2 SER 84 HB2 SER 84 -3.272 5.228 5.899 759 HB3 SER 84 HB1 SER 84 -4.400 6.397 6.586 760 HG SER 84 HG SER 84 -2.787 4.526 8.002 761 H LEU 85 HN LEU 85 -4.247 3.555 4.394 762 HA LEU 85 HA LEU 85 -6.060 4.699 2.609 763 HB2 LEU 85 HB2 LEU 85 -4.582 2.068 2.397 764 HB3 LEU 85 HB1 LEU 85 -5.404 2.855 1.065 765 HG LEU 85 HG LEU 85 -3.105 4.118 2.557 766 HD11 LEU 85 HD11 LEU 85 -2.422 2.005 1.481 767 HD12 LEU 85 HD12 LEU 85 -1.688 3.421 0.730 768 HD13 LEU 85 HD13 LEU 85 -3.043 2.613 -0.053 769 HD21 LEU 85 HD21 LEU 85 -2.987 5.573 0.625 770 HD22 LEU 85 HD22 LEU 85 -4.604 5.644 1.327 771 HD23 LEU 85 HD23 LEU 85 -4.318 4.708 -0.140 772 H GLY 86 HN GLY 86 -6.120 1.580 4.268 773 HA2 GLY 86 HA2 GLY 86 -8.393 0.508 3.057 774 HA3 GLY 86 HA1 GLY 86 -7.792 0.067 4.644 775 H GLU 87 HN GLU 87 -8.176 2.465 6.045 776 HA GLU 87 HA GLU 87 -10.927 2.221 6.643 777 HB2 GLU 87 HB2 GLU 87 -10.613 4.092 8.199 778 HB3 GLU 87 HB1 GLU 87 -9.345 2.888 8.372 779 HG2 GLU 87 HG2 GLU 87 -7.783 4.272 7.218 780 HG3 GLU 87 HG1 GLU 87 -9.045 5.425 6.789 781 H CYS 88 HN CYS 88 -9.092 4.647 4.827 782 HA CYS 88 HA CYS 88 -11.152 6.461 4.298 783 HB2 CYS 88 HB2 CYS 88 -8.928 5.600 2.441 784 HB3 CYS 88 HB1 CYS 88 -9.871 7.070 2.292 785 H ILE 89 HN ILE 89 -9.997 3.751 2.354 786 HA ILE 89 HA ILE 89 -11.853 3.994 0.275 787 HB ILE 89 HB ILE 89 -10.336 1.564 1.226 788 HG12 ILE 89 HG12 ILE 89 -9.703 3.612 -0.924 789 HG13 ILE 89 HG11 ILE 89 -8.891 3.473 0.630 790 HG21 ILE 89 HG21 ILE 89 -10.727 0.677 -1.011 791 HG22 ILE 89 HG22 ILE 89 -11.708 2.088 -1.403 792 HG23 ILE 89 HG23 ILE 89 -12.244 0.964 -0.159 793 HD11 ILE 89 HD11 ILE 89 -8.881 1.404 -1.551 794 HD12 ILE 89 HD12 ILE 89 -8.076 1.263 0.013 795 HD13 ILE 89 HD13 ILE 89 -7.561 2.499 -1.136 796 H GLY 90 HN GLY 90 -11.900 1.962 3.200 797 HA2 GLY 90 HA2 GLY 90 -14.239 0.526 2.613 798 HA3 GLY 90 HA1 GLY 90 -13.622 0.843 4.226 799 H LYS 91 HN LYS 91 -13.796 3.770 3.762 800 HA LYS 91 HA LYS 91 -16.583 4.094 4.496 801 HB2 LYS 91 HB2 LYS 91 -14.253 6.009 4.364 802 HB3 LYS 91 HB1 LYS 91 -15.883 6.509 4.796 803 HG2 LYS 91 HG2 LYS 91 -15.865 5.193 6.763 804 HG3 LYS 91 HG1 LYS 91 -14.392 4.358 6.271 805 HD2 LYS 91 HD2 LYS 91 -13.914 6.016 7.988 806 HD3 LYS 91 HD1 LYS 91 -13.144 6.454 6.465 807 HE2 LYS 91 HE2 LYS 91 -14.961 8.033 6.007 808 HE3 LYS 91 HE1 LYS 91 -15.723 7.596 7.536 809 HZ1 LYS 91 HZ1 LYS 91 -14.446 9.642 7.719 810 HZ2 LYS 91 HZ2 LYS 91 -13.037 8.836 7.243 811 HZ3 LYS 91 HZ3 LYS 91 -13.788 8.436 8.704 812 H ASP 92 HN ASP 92 -14.388 5.015 1.908 813 HA ASP 92 HA ASP 92 -16.169 6.731 0.520 814 HB2 ASP 92 HB2 ASP 92 -13.776 6.848 0.140 815 HB3 ASP 92 HB1 ASP 92 -13.743 5.180 -0.416 816 H PHE 93 HN PHE 93 -15.271 3.348 0.084 817 HA PHE 93 HA PHE 93 -16.862 2.776 -2.151 818 HB2 PHE 93 HB2 PHE 93 -15.046 1.332 -1.371 819 HB3 PHE 93 HB1 PHE 93 -15.935 0.979 0.103 820 HD1 PHE 93 HD1 PHE 93 -16.041 0.586 -3.579 821 HD2 PHE 93 HD2 PHE 93 -17.416 -0.814 0.196 822 HE1 PHE 93 HE1 PHE 93 -17.026 -1.384 -4.670 823 HE2 PHE 93 HE2 PHE 93 -18.410 -2.784 -0.892 824 HZ PHE 93 HZ PHE 93 -18.209 -3.070 -3.328 825 H ALA 94 HN ALA 94 -17.551 2.716 1.295 826 HA ALA 94 HA ALA 94 -20.032 1.376 1.126 827 HB1 ALA 94 HB1 ALA 94 -18.735 1.497 3.198 828 HB2 ALA 94 HB2 ALA 94 -20.379 2.096 3.422 829 HB3 ALA 94 HB3 ALA 94 -19.038 3.232 3.281 830 H GLU 95 HN GLU 95 -19.281 4.837 1.590 831 HA GLU 95 HA GLU 95 -21.950 5.690 1.574 832 HB2 GLU 95 HB2 GLU 95 -19.442 7.213 0.876 833 HB3 GLU 95 HB1 GLU 95 -21.013 7.948 1.167 834 HG2 GLU 95 HG2 GLU 95 -20.987 6.995 3.447 835 HG3 GLU 95 HG1 GLU 95 -19.360 6.393 3.142 836 H LYS 96 HN LYS 96 -19.810 4.910 -1.016 837 HA LYS 96 HA LYS 96 -21.234 6.322 -3.044 838 HB2 LYS 96 HB2 LYS 96 -19.112 4.206 -3.063 839 HB3 LYS 96 HB1 LYS 96 -19.911 4.690 -4.552 840 HG2 LYS 96 HG2 LYS 96 -19.164 6.952 -4.280 841 HG3 LYS 96 HG1 LYS 96 -18.478 6.572 -2.700 842 HD2 LYS 96 HD2 LYS 96 -16.831 5.151 -3.676 843 HD3 LYS 96 HD1 LYS 96 -17.608 5.241 -5.259 844 HE2 LYS 96 HE2 LYS 96 -17.038 7.543 -5.491 845 HE3 LYS 96 HE1 LYS 96 -16.502 7.642 -3.814 846 HZ1 LYS 96 HZ1 LYS 96 -15.209 6.006 -5.923 847 HZ2 LYS 96 HZ2 LYS 96 -14.678 6.178 -4.318 848 HZ3 LYS 96 HZ3 LYS 96 -14.653 7.506 -5.373 849 H HIS 97 HN HIS 97 -20.912 2.788 -2.497 850 HA HIS 97 HA HIS 97 -23.354 2.537 -4.111 851 HB2 HIS 97 HB2 HIS 97 -20.889 0.856 -3.979 852 HB3 HIS 97 HB1 HIS 97 -22.412 0.155 -4.518 853 HD1 HIS 97 HD1 HIS 97 -23.058 0.554 -6.905 854 HD2 HIS 97 HD2 HIS 97 -20.007 3.078 -5.639 855 HE1 HIS 97 HE1 HIS 97 -22.300 1.784 -8.962 856 HE2 HIS 97 HE2 HIS 97 -20.571 3.420 -8.141 857 H LEU 98 HN LEU 98 -21.891 1.549 -1.088 858 HA LEU 98 HA LEU 98 -23.855 -0.473 -0.567 859 HB2 LEU 98 HB2 LEU 98 -21.948 0.935 1.299 860 HB3 LEU 98 HB1 LEU 98 -22.991 -0.390 1.772 861 HG LEU 98 HG LEU 98 -20.758 -0.541 -0.260 862 HD11 LEU 98 HD11 LEU 98 -19.970 -0.370 2.050 863 HD12 LEU 98 HD12 LEU 98 -19.675 -1.977 1.388 864 HD13 LEU 98 HD13 LEU 98 -21.013 -1.716 2.507 865 HD21 LEU 98 HD21 LEU 98 -22.579 -2.036 -0.859 866 HD22 LEU 98 HD22 LEU 98 -22.609 -2.685 0.781 867 HD23 LEU 98 HD23 LEU 98 -21.202 -2.953 -0.249 868 H ILE 99 HN ILE 99 -23.529 2.945 0.109 869 HA ILE 99 HA ILE 99 -26.110 2.983 1.453 870 HB ILE 99 HB ILE 99 -24.290 5.279 0.693 871 HG12 ILE 99 HG12 ILE 99 -24.728 3.805 3.298 872 HG13 ILE 99 HG11 ILE 99 -23.235 3.920 2.376 873 HG21 ILE 99 HG21 ILE 99 -26.593 6.014 0.823 874 HG22 ILE 99 HG22 ILE 99 -25.697 6.613 2.219 875 HG23 ILE 99 HG23 ILE 99 -26.783 5.234 2.393 876 HD11 ILE 99 HD11 ILE 99 -23.081 5.342 4.287 877 HD12 ILE 99 HD12 ILE 99 -24.608 6.125 3.884 878 HD13 ILE 99 HD13 ILE 99 -23.202 6.355 2.848 879 HA PRO 100 HA PRO 100 -27.940 3.213 -2.636 880 HB2 PRO 100 HB2 PRO 100 -30.524 3.141 -1.832 881 HB3 PRO 100 HB1 PRO 100 -29.488 1.708 -1.844 882 HG2 PRO 100 HG2 PRO 100 -30.210 3.501 0.447 883 HG3 PRO 100 HG1 PRO 100 -30.161 1.729 0.390 884 HD2 PRO 100 HD2 PRO 100 -28.164 3.197 1.460 885 HD3 PRO 100 HD1 PRO 100 -27.867 1.660 0.623 886 H LYS 101 HN LYS 101 -28.022 5.537 -0.214 887 HA LYS 101 HA LYS 101 -29.885 7.342 -1.461 888 HB2 LYS 101 HB2 LYS 101 -27.892 7.853 0.757 889 HB3 LYS 101 HB1 LYS 101 -29.238 8.894 0.309 890 HG2 LYS 101 HG2 LYS 101 -30.826 7.239 1.012 891 HG3 LYS 101 HG1 LYS 101 -29.537 6.073 1.315 892 HD2 LYS 101 HD2 LYS 101 -28.635 7.549 3.060 893 HD3 LYS 101 HD1 LYS 101 -29.953 8.685 2.767 894 HE2 LYS 101 HE2 LYS 101 -30.259 5.827 3.682 895 HE3 LYS 101 HE1 LYS 101 -30.393 7.253 4.711 896 HZ1 LYS 101 HZ1 LYS 101 -32.260 7.979 3.282 897 HZ2 LYS 101 HZ2 LYS 101 -32.570 6.540 4.111 898 HZ3 LYS 101 HZ3 LYS 101 -32.181 6.499 2.465 Start of MODEL 2 1 H1 MET -14 HT1 MET -14 31.129 15.299 6.443 2 H2 MET -14 HT2 MET -14 31.684 15.351 8.038 3 H3 MET -14 HT3 MET -14 32.280 14.183 6.973 4 HA MET -14 HA MET -14 33.335 15.847 5.634 5 HB2 MET -14 HB2 MET -14 32.224 17.774 7.684 6 HB3 MET -14 HB1 MET -14 33.392 18.196 6.441 7 HG2 MET -14 HG2 MET -14 30.578 17.239 5.983 8 HG3 MET -14 HG1 MET -14 31.163 18.892 5.811 9 HE1 MET -14 HE1 MET -14 29.531 17.482 3.543 10 HE2 MET -14 HE2 MET -14 30.475 17.876 2.107 11 HE3 MET -14 HE3 MET -14 30.213 19.096 3.353 12 H ALA -13 HN ALA -13 35.078 14.608 6.303 13 HA ALA -13 HA ALA -13 36.633 15.745 8.474 14 HB1 ALA -13 HB1 ALA -13 35.285 14.094 9.642 15 HB2 ALA -13 HB2 ALA -13 36.975 13.591 9.599 16 HB3 ALA -13 HB3 ALA -13 35.805 12.846 8.511 17 H HIS -12 HN HIS -12 37.100 15.823 5.740 18 HA HIS -12 HA HIS -12 38.997 13.733 5.085 19 HB2 HIS -12 HB2 HIS -12 37.934 16.123 3.619 20 HB3 HIS -12 HB1 HIS -12 39.375 15.299 3.042 21 HD1 HIS -12 HD1 HIS -12 35.733 15.147 2.969 22 HD2 HIS -12 HD2 HIS -12 38.889 12.526 2.317 23 HE1 HIS -12 HE1 HIS -12 34.747 13.195 1.733 24 HE2 HIS -12 HE2 HIS -12 36.708 11.709 1.183 25 H HIS -11 HN HIS -11 40.691 13.922 6.509 26 HA HIS -11 HA HIS -11 42.192 16.456 6.410 27 HB2 HIS -11 HB2 HIS -11 42.229 14.222 8.445 28 HB3 HIS -11 HB1 HIS -11 43.403 15.531 8.426 29 HD1 HIS -11 HD1 HIS -11 42.758 17.658 9.562 30 HD2 HIS -11 HD2 HIS -11 39.519 15.117 8.996 31 HE1 HIS -11 HE1 HIS -11 40.855 18.697 10.834 32 HE2 HIS -11 HE2 HIS -11 38.961 17.048 10.624 33 H HIS -10 HN HIS -10 42.161 14.397 4.355 34 HA HIS -10 HA HIS -10 45.053 13.926 4.241 35 HB2 HIS -10 HB2 HIS -10 42.930 11.897 3.498 36 HB3 HIS -10 HB1 HIS -10 44.647 11.722 3.160 37 HD1 HIS -10 HD1 HIS -10 42.114 11.143 5.740 38 HD2 HIS -10 HD2 HIS -10 46.258 11.402 5.551 39 HE1 HIS -10 HE1 HIS -10 42.953 10.099 7.865 40 HE2 HIS -10 HE2 HIS -10 45.449 10.419 7.804 41 H HIS -9 HN HIS -9 45.924 14.530 2.325 42 HA HIS -9 HA HIS -9 44.117 15.625 0.331 43 HB2 HIS -9 HB2 HIS -9 47.102 15.742 0.678 44 HB3 HIS -9 HB1 HIS -9 46.322 16.307 -0.793 45 HD1 HIS -9 HD1 HIS -9 44.236 18.101 -0.165 46 HD2 HIS -9 HD2 HIS -9 47.452 17.746 2.444 47 HE1 HIS -9 HE1 HIS -9 44.221 20.200 1.216 48 HE2 HIS -9 HE2 HIS -9 46.288 20.044 2.652 49 H HIS -8 HN HIS -8 43.773 12.964 0.404 50 HA HIS -8 HA HIS -8 44.649 12.232 -2.278 51 HB2 HIS -8 HB2 HIS -8 45.123 10.578 0.189 52 HB3 HIS -8 HB1 HIS -8 44.898 9.808 -1.375 53 HD1 HIS -8 HD1 HIS -8 46.828 9.916 -3.037 54 HD2 HIS -8 HD2 HIS -8 47.543 12.025 0.470 55 HE1 HIS -8 HE1 HIS -8 49.279 10.467 -3.068 56 HE2 HIS -8 HE2 HIS -8 49.719 11.578 -0.852 57 H HIS -7 HN HIS -7 43.221 10.813 -3.335 58 HA HIS -7 HA HIS -7 40.750 10.140 -1.907 59 HB2 HIS -7 HB2 HIS -7 40.888 11.541 -4.587 60 HB3 HIS -7 HB1 HIS -7 39.431 10.815 -3.926 61 HD1 HIS -7 HD1 HIS -7 41.209 13.938 -4.088 62 HD2 HIS -7 HD2 HIS -7 38.649 12.111 -1.374 63 HE1 HIS -7 HE1 HIS -7 40.342 15.788 -2.631 64 HE2 HIS -7 HE2 HIS -7 38.920 14.638 -0.900 65 H VAL -6 HN VAL -6 39.752 8.287 -2.621 66 HA VAL -6 HA VAL -6 41.320 6.481 -4.215 67 HB VAL -6 HB VAL -6 39.370 4.912 -3.845 68 HG11 VAL -6 HG11 VAL -6 40.633 6.174 -1.414 69 HG12 VAL -6 HG12 VAL -6 41.323 4.885 -2.399 70 HG13 VAL -6 HG13 VAL -6 39.859 4.591 -1.460 71 HG21 VAL -6 HG21 VAL -6 37.610 6.582 -3.578 72 HG22 VAL -6 HG22 VAL -6 38.387 7.183 -2.114 73 HG23 VAL -6 HG23 VAL -6 37.715 5.554 -2.149 74 H ASP -5 HN ASP -5 40.954 8.451 -5.845 75 HA ASP -5 HA ASP -5 40.232 9.171 -7.853 76 HB2 ASP -5 HB2 ASP -5 40.441 6.839 -8.588 77 HB3 ASP -5 HB1 ASP -5 38.797 6.517 -8.042 78 H ASP -4 HN ASP -4 37.362 7.311 -6.868 79 HA ASP -4 HA ASP -4 35.847 9.838 -6.917 80 HB2 ASP -4 HB2 ASP -4 35.020 8.187 -8.520 81 HB3 ASP -4 HB1 ASP -4 34.875 6.987 -7.242 82 H ASP -3 HN ASP -3 35.452 10.644 -4.964 83 HA ASP -3 HA ASP -3 35.804 8.958 -2.630 84 HB2 ASP -3 HB2 ASP -3 36.832 11.164 -2.617 85 HB3 ASP -3 HB1 ASP -3 35.265 11.924 -2.877 86 H ASP -2 HN ASP -2 34.246 8.100 -1.454 87 HA ASP -2 HA ASP -2 31.553 9.260 -1.569 88 HB2 ASP -2 HB2 ASP -2 30.500 7.136 -1.822 89 HB3 ASP -2 HB1 ASP -2 31.748 7.212 -3.059 90 H LYS -1 HN LYS -1 30.196 8.522 0.257 91 HA LYS -1 HA LYS -1 31.539 7.312 2.516 92 HB2 LYS -1 HB2 LYS -1 30.947 9.182 4.048 93 HB3 LYS -1 HB1 LYS -1 32.185 9.602 2.876 94 HG2 LYS -1 HG2 LYS -1 30.402 10.672 1.493 95 HG3 LYS -1 HG1 LYS -1 29.282 10.392 2.829 96 HD2 LYS -1 HD2 LYS -1 31.844 11.978 3.007 97 HD3 LYS -1 HD1 LYS -1 30.231 12.669 2.840 98 HE2 LYS -1 HE2 LYS -1 31.104 10.903 5.121 99 HE3 LYS -1 HE1 LYS -1 31.095 12.664 5.169 100 HZ1 LYS -1 HZ1 LYS -1 28.723 10.927 4.757 101 HZ2 LYS -1 HZ2 LYS -1 28.709 12.614 4.766 102 HZ3 LYS -1 HZ3 LYS -1 29.107 11.768 6.173 103 H MET 0 HN MET 0 29.336 6.737 0.727 104 HA MET 0 HA MET 0 26.973 6.975 2.423 105 HB2 MET 0 HB2 MET 0 27.352 5.964 -0.396 106 HB3 MET 0 HB1 MET 0 25.822 5.870 0.464 107 HG2 MET 0 HG2 MET 0 25.757 8.290 0.651 108 HG3 MET 0 HG1 MET 0 27.316 8.405 -0.160 109 HE1 MET 0 HE1 MET 0 26.500 7.203 -3.773 110 HE2 MET 0 HE2 MET 0 27.026 6.154 -2.456 111 HE3 MET 0 HE3 MET 0 27.743 7.754 -2.648 112 H GLU 1 HN GLU 1 27.976 5.595 4.039 113 HA GLU 1 HA GLU 1 28.241 2.785 3.397 114 HB2 GLU 1 HB2 GLU 1 28.448 4.294 6.005 115 HB3 GLU 1 HB1 GLU 1 28.677 2.558 5.858 116 HG2 GLU 1 HG2 GLU 1 30.543 2.977 4.295 117 HG3 GLU 1 HG1 GLU 1 30.344 4.707 4.573 118 H ASP 2 HN ASP 2 25.981 4.953 4.933 119 HA ASP 2 HA ASP 2 24.094 2.710 5.235 120 HB2 ASP 2 HB2 ASP 2 24.126 5.317 6.779 121 HB3 ASP 2 HB1 ASP 2 22.989 3.994 7.005 122 H THR 3 HN THR 3 21.926 3.100 4.662 123 HA THR 3 HA THR 3 20.314 3.742 3.216 124 HB THR 3 HB THR 3 19.767 6.187 3.183 125 HG1 THR 3 HG1 THR 3 22.301 6.392 4.053 126 HG21 THR 3 HG21 THR 3 18.837 4.698 4.874 127 HG22 THR 3 HG22 THR 3 19.164 6.291 5.558 128 HG23 THR 3 HG23 THR 3 20.258 4.948 5.890 129 H ALA 4 HN ALA 4 22.666 3.106 1.913 130 HA ALA 4 HA ALA 4 23.012 5.071 -0.211 131 HB1 ALA 4 HB1 ALA 4 24.977 3.880 0.689 132 HB2 ALA 4 HB2 ALA 4 24.755 3.600 -1.038 133 HB3 ALA 4 HB3 ALA 4 24.291 2.357 0.125 134 H ASN 5 HN ASN 5 21.553 1.971 0.414 135 HA ASN 5 HA ASN 5 20.358 2.026 -2.277 136 HB2 ASN 5 HB2 ASN 5 20.232 -0.418 -2.209 137 HB3 ASN 5 HB1 ASN 5 21.899 0.107 -2.008 138 HD21 ASN 5 HD21 ASN 5 22.941 -0.258 -0.081 139 HD22 ASN 5 HD22 ASN 5 22.285 -1.251 1.174 140 HA PRO 6 HA PRO 6 16.480 2.233 -0.089 141 HB2 PRO 6 HB2 PRO 6 14.859 1.289 -2.076 142 HB3 PRO 6 HB1 PRO 6 15.471 2.946 -2.020 143 HG2 PRO 6 HG2 PRO 6 16.456 0.609 -3.601 144 HG3 PRO 6 HG1 PRO 6 16.300 2.306 -4.088 145 HD2 PRO 6 HD2 PRO 6 18.669 1.198 -3.384 146 HD3 PRO 6 HD1 PRO 6 18.288 2.905 -3.090 147 H ASN 7 HN ASN 7 16.914 0.605 1.435 148 HA ASN 7 HA ASN 7 16.711 -2.169 0.929 149 HB2 ASN 7 HB2 ASN 7 17.769 -1.315 2.966 150 HB3 ASN 7 HB1 ASN 7 16.240 -0.613 3.488 151 HD21 ASN 7 HD21 ASN 7 18.121 -3.486 3.198 152 HD22 ASN 7 HD22 ASN 7 17.062 -4.519 4.098 153 H GLU 8 HN GLU 8 14.451 0.307 1.893 154 HA GLU 8 HA GLU 8 12.230 -1.593 1.798 155 HB2 GLU 8 HB2 GLU 8 10.940 0.102 2.956 156 HB3 GLU 8 HB1 GLU 8 12.437 -0.204 3.823 157 HG2 GLU 8 HG2 GLU 8 12.110 2.052 1.892 158 HG3 GLU 8 HG1 GLU 8 11.717 2.200 3.602 159 H MET 9 HN MET 9 10.151 -0.063 1.107 160 HA MET 9 HA MET 9 10.781 0.598 -1.680 161 HB2 MET 9 HB2 MET 9 8.286 0.376 -1.992 162 HB3 MET 9 HB1 MET 9 9.115 -1.100 -1.540 163 HG2 MET 9 HG2 MET 9 8.441 -0.655 0.823 164 HG3 MET 9 HG1 MET 9 7.445 0.666 0.217 165 HE1 MET 9 HE1 MET 9 6.790 -3.783 -0.830 166 HE2 MET 9 HE2 MET 9 8.104 -3.174 0.175 167 HE3 MET 9 HE3 MET 9 8.087 -2.835 -1.555 168 H THR 10 HN THR 10 10.399 2.598 -2.493 169 HA THR 10 HA THR 10 10.142 4.749 -0.682 170 HB THR 10 HB THR 10 9.921 6.169 -2.738 171 HG1 THR 10 HG1 THR 10 10.477 4.758 -4.711 172 HG21 THR 10 HG21 THR 10 12.167 4.150 -2.697 173 HG22 THR 10 HG22 THR 10 12.123 5.699 -1.856 174 HG23 THR 10 HG23 THR 10 12.180 5.654 -3.615 175 H LYS 11 HN LYS 11 8.456 6.432 -0.760 176 HA LYS 11 HA LYS 11 5.953 5.417 -0.177 177 HB2 LYS 11 HB2 LYS 11 5.140 7.740 -0.364 178 HB3 LYS 11 HB1 LYS 11 6.643 7.625 0.538 179 HG2 LYS 11 HG2 LYS 11 7.816 8.234 -1.632 180 HG3 LYS 11 HG1 LYS 11 6.218 8.652 -2.250 181 HD2 LYS 11 HD2 LYS 11 7.561 9.844 0.175 182 HD3 LYS 11 HD1 LYS 11 7.357 10.624 -1.392 183 HE2 LYS 11 HE2 LYS 11 4.932 10.541 -1.122 184 HE3 LYS 11 HE1 LYS 11 5.129 9.738 0.435 185 HZ1 LYS 11 HZ1 LYS 11 6.194 11.677 1.313 186 HZ2 LYS 11 HZ2 LYS 11 4.719 12.141 0.623 187 HZ3 LYS 11 HZ3 LYS 11 6.167 12.445 -0.196 188 H ASP 12 HN ASP 12 7.233 6.462 -3.270 189 HA ASP 12 HA ASP 12 4.719 6.482 -4.625 190 HB2 ASP 12 HB2 ASP 12 6.561 7.836 -5.451 191 HB3 ASP 12 HB1 ASP 12 7.557 6.402 -5.672 192 H ALA 13 HN ALA 13 7.457 4.222 -4.526 193 HA ALA 13 HA ALA 13 6.331 2.326 -6.297 194 HB1 ALA 13 HB1 ALA 13 8.719 2.425 -5.861 195 HB2 ALA 13 HB2 ALA 13 8.083 0.829 -5.459 196 HB3 ALA 13 HB3 ALA 13 8.444 1.986 -4.177 197 H TRP 14 HN TRP 14 6.248 2.770 -2.821 198 HA TRP 14 HA TRP 14 4.967 0.366 -2.138 199 HB2 TRP 14 HB2 TRP 14 5.984 1.790 -0.454 200 HB3 TRP 14 HB1 TRP 14 4.848 3.087 -0.820 201 HD1 TRP 14 HD1 TRP 14 4.866 -0.476 0.677 202 HE1 TRP 14 HE1 TRP 14 2.900 -0.667 2.321 203 HE3 TRP 14 HE3 TRP 14 2.682 4.079 -0.131 204 HZ2 TRP 14 HZ2 TRP 14 0.726 0.901 3.179 205 HZ3 TRP 14 HZ3 TRP 14 0.664 4.653 1.152 206 HH2 TRP 14 HH2 TRP 14 -0.292 3.093 2.769 207 H LEU 15 HN LEU 15 3.604 3.614 -2.731 208 HA LEU 15 HA LEU 15 0.908 2.935 -2.586 209 HB2 LEU 15 HB2 LEU 15 2.298 4.982 -4.322 210 HB3 LEU 15 HB1 LEU 15 0.559 4.870 -4.154 211 HG LEU 15 HG LEU 15 2.416 5.370 -1.840 212 HD11 LEU 15 HD11 LEU 15 0.913 7.318 -3.575 213 HD12 LEU 15 HD12 LEU 15 2.659 7.206 -3.358 214 HD13 LEU 15 HD13 LEU 15 1.635 7.718 -2.018 215 HD21 LEU 15 HD21 LEU 15 0.328 6.158 -0.767 216 HD22 LEU 15 HD22 LEU 15 0.283 4.445 -1.185 217 HD23 LEU 15 HD23 LEU 15 -0.573 5.620 -2.186 218 H ASN 16 HN ASN 16 3.124 2.849 -5.341 219 HA ASN 16 HA ASN 16 1.293 2.176 -7.341 220 HB2 ASN 16 HB2 ASN 16 3.558 2.921 -7.837 221 HB3 ASN 16 HB1 ASN 16 4.228 1.475 -7.092 222 HD21 ASN 16 HD21 ASN 16 4.261 -0.424 -8.223 223 HD22 ASN 16 HD22 ASN 16 3.811 -0.549 -9.885 224 H SER 17 HN SER 17 3.027 0.152 -5.056 225 HA SER 17 HA SER 17 2.082 -2.289 -6.310 226 HB2 SER 17 HB2 SER 17 3.699 -1.906 -3.779 227 HB3 SER 17 HB1 SER 17 3.488 -3.412 -4.673 228 HG SER 17 HG SER 17 4.989 -1.125 -5.337 229 H MET 18 HN MET 18 1.256 -0.218 -3.671 230 HA MET 18 HA MET 18 -0.132 -2.254 -2.155 231 HB2 MET 18 HB2 MET 18 1.176 -0.441 -1.075 232 HB3 MET 18 HB1 MET 18 0.027 0.730 -1.707 233 HG2 MET 18 HG2 MET 18 -0.514 0.335 0.555 234 HG3 MET 18 HG1 MET 18 -1.757 -0.439 -0.428 235 HE1 MET 18 HE1 MET 18 -1.397 -1.097 2.641 236 HE2 MET 18 HE2 MET 18 -1.502 -2.858 2.643 237 HE3 MET 18 HE3 MET 18 -2.589 -1.911 1.628 238 H THR 19 HN THR 19 -0.952 0.492 -4.205 239 HA THR 19 HA THR 19 -3.560 0.923 -3.482 240 HB THR 19 HB THR 19 -3.872 1.530 -6.014 241 HG1 THR 19 HG1 THR 19 -1.040 1.630 -5.864 242 HG21 THR 19 HG21 THR 19 -2.790 3.677 -5.593 243 HG22 THR 19 HG22 THR 19 -1.926 2.979 -4.223 244 HG23 THR 19 HG23 THR 19 -3.682 3.131 -4.173 245 HA PRO 20 HA PRO 20 -5.284 -2.271 -6.524 246 HB2 PRO 20 HB2 PRO 20 -3.752 -4.060 -7.770 247 HB3 PRO 20 HB1 PRO 20 -3.874 -2.386 -8.336 248 HG2 PRO 20 HG2 PRO 20 -1.717 -3.673 -6.699 249 HG3 PRO 20 HG1 PRO 20 -1.562 -2.582 -8.089 250 HD2 PRO 20 HD2 PRO 20 -1.374 -1.777 -5.474 251 HD3 PRO 20 HD1 PRO 20 -1.869 -0.716 -6.807 252 H LEU 21 HN LEU 21 -3.104 -3.059 -4.055 253 HA LEU 21 HA LEU 21 -4.113 -5.765 -3.681 254 HB2 LEU 21 HB2 LEU 21 -2.223 -4.064 -2.054 255 HB3 LEU 21 HB1 LEU 21 -2.712 -5.684 -1.595 256 HG LEU 21 HG LEU 21 -1.193 -4.970 -4.105 257 HD11 LEU 21 HD11 LEU 21 0.147 -4.671 -2.088 258 HD12 LEU 21 HD12 LEU 21 0.696 -6.068 -3.014 259 HD13 LEU 21 HD13 LEU 21 -0.274 -6.299 -1.558 260 HD21 LEU 21 HD21 LEU 21 -1.982 -7.640 -2.939 261 HD22 LEU 21 HD22 LEU 21 -0.899 -7.408 -4.311 262 HD23 LEU 21 HD23 LEU 21 -2.592 -6.926 -4.432 263 H LEU 22 HN LEU 22 -4.931 -2.597 -2.857 264 HA LEU 22 HA LEU 22 -6.085 -3.064 -0.315 265 HB2 LEU 22 HB2 LEU 22 -6.544 -0.832 -2.289 266 HB3 LEU 22 HB1 LEU 22 -7.140 -0.844 -0.640 267 HG LEU 22 HG LEU 22 -4.210 -1.019 -1.335 268 HD11 LEU 22 HD11 LEU 22 -5.768 1.426 -0.523 269 HD12 LEU 22 HD12 LEU 22 -5.194 1.092 -2.155 270 HD13 LEU 22 HD13 LEU 22 -4.038 1.330 -0.846 271 HD21 LEU 22 HD21 LEU 22 -3.937 -0.321 1.012 272 HD22 LEU 22 HD22 LEU 22 -4.767 -1.868 0.863 273 HD23 LEU 22 HD23 LEU 22 -5.685 -0.407 1.225 274 HA PRO 23 HA PRO 23 -10.311 -3.160 -2.987 275 HB2 PRO 23 HB2 PRO 23 -9.013 -4.677 -5.210 276 HB3 PRO 23 HB1 PRO 23 -10.401 -3.590 -5.248 277 HG2 PRO 23 HG2 PRO 23 -8.064 -2.743 -6.115 278 HG3 PRO 23 HG1 PRO 23 -9.092 -1.688 -5.138 279 HD2 PRO 23 HD2 PRO 23 -6.634 -3.173 -4.349 280 HD3 PRO 23 HD1 PRO 23 -7.216 -1.580 -3.835 281 H ASP 24 HN ASP 24 -7.765 -5.565 -3.110 282 HA ASP 24 HA ASP 24 -9.339 -7.885 -2.989 283 HB2 ASP 24 HB2 ASP 24 -6.975 -7.868 -3.640 284 HB3 ASP 24 HB1 ASP 24 -6.516 -7.375 -2.016 285 H LEU 25 HN LEU 25 -7.631 -6.112 -0.419 286 HA LEU 25 HA LEU 25 -8.595 -7.826 1.649 287 HB2 LEU 25 HB2 LEU 25 -7.299 -5.105 1.833 288 HB3 LEU 25 HB1 LEU 25 -7.525 -6.220 3.164 289 HG LEU 25 HG LEU 25 -5.789 -6.735 0.747 290 HD11 LEU 25 HD11 LEU 25 -4.858 -4.992 2.152 291 HD12 LEU 25 HD12 LEU 25 -3.923 -6.478 2.316 292 HD13 LEU 25 HD13 LEU 25 -5.060 -6.007 3.579 293 HD21 LEU 25 HD21 LEU 25 -6.165 -8.314 3.291 294 HD22 LEU 25 HD22 LEU 25 -4.983 -8.661 2.029 295 HD23 LEU 25 HD23 LEU 25 -6.706 -8.788 1.680 296 H ILE 26 HN ILE 26 -9.566 -4.715 0.343 297 HA ILE 26 HA ILE 26 -11.222 -3.886 2.452 298 HB ILE 26 HB ILE 26 -11.432 -3.227 -0.488 299 HG12 ILE 26 HG12 ILE 26 -9.299 -2.568 0.485 300 HG13 ILE 26 HG11 ILE 26 -10.280 -1.143 0.166 301 HG21 ILE 26 HG21 ILE 26 -12.712 -1.870 1.883 302 HG22 ILE 26 HG22 ILE 26 -13.544 -2.779 0.619 303 HG23 ILE 26 HG23 ILE 26 -12.727 -1.267 0.225 304 HD11 ILE 26 HD11 ILE 26 -9.877 -2.453 2.844 305 HD12 ILE 26 HD12 ILE 26 -10.883 -1.039 2.533 306 HD13 ILE 26 HD13 ILE 26 -9.141 -0.954 2.287 307 H CYS 27 HN CYS 27 -12.099 -5.585 -0.574 308 HA CYS 27 HA CYS 27 -14.855 -5.667 -0.012 309 HB2 CYS 27 HB2 CYS 27 -13.802 -6.099 -2.263 310 HB3 CYS 27 HB1 CYS 27 -13.348 -7.694 -1.669 311 H LYS 28 HN LYS 28 -12.233 -7.903 0.733 312 HA LYS 28 HA LYS 28 -13.790 -10.038 1.664 313 HB2 LYS 28 HB2 LYS 28 -10.999 -9.159 2.401 314 HB3 LYS 28 HB1 LYS 28 -11.719 -10.669 2.944 315 HG2 LYS 28 HG2 LYS 28 -11.918 -11.443 0.670 316 HG3 LYS 28 HG1 LYS 28 -11.326 -9.894 0.064 317 HD2 LYS 28 HD2 LYS 28 -9.182 -10.269 1.150 318 HD3 LYS 28 HD1 LYS 28 -9.774 -11.795 1.815 319 HE2 LYS 28 HE2 LYS 28 -9.933 -12.769 -0.345 320 HE3 LYS 28 HE1 LYS 28 -9.670 -11.216 -1.136 321 HZ1 LYS 28 HZ1 LYS 28 -7.707 -12.709 -1.109 322 HZ2 LYS 28 HZ2 LYS 28 -7.645 -12.544 0.574 323 HZ3 LYS 28 HZ3 LYS 28 -7.429 -11.187 -0.419 324 H GLY 29 HN GLY 29 -12.672 -7.101 3.234 325 HA2 GLY 29 HA2 GLY 29 -13.232 -7.782 5.896 326 HA3 GLY 29 HA1 GLY 29 -13.201 -6.149 5.250 327 H PHE 30 HN PHE 30 -15.324 -6.570 3.340 328 HA PHE 30 HA PHE 30 -17.547 -6.145 5.128 329 HB2 PHE 30 HB2 PHE 30 -17.345 -6.074 2.113 330 HB3 PHE 30 HB1 PHE 30 -18.817 -5.710 3.006 331 HD1 PHE 30 HD1 PHE 30 -15.552 -4.508 1.982 332 HD2 PHE 30 HD2 PHE 30 -18.954 -3.693 4.400 333 HE1 PHE 30 HE1 PHE 30 -14.835 -2.167 2.195 334 HE2 PHE 30 HE2 PHE 30 -18.242 -1.351 4.617 335 HZ PHE 30 HZ PHE 30 -16.181 -0.583 3.514 336 H ILE 31 HN ILE 31 -16.288 -8.757 3.290 337 HA ILE 31 HA ILE 31 -18.819 -10.186 3.209 338 HB ILE 31 HB ILE 31 -16.068 -11.099 2.345 339 HG12 ILE 31 HG12 ILE 31 -18.389 -10.067 0.697 340 HG13 ILE 31 HG11 ILE 31 -16.923 -9.162 1.061 341 HG21 ILE 31 HG21 ILE 31 -17.543 -12.966 2.867 342 HG22 ILE 31 HG22 ILE 31 -17.265 -12.858 1.129 343 HG23 ILE 31 HG23 ILE 31 -18.788 -12.292 1.815 344 HD11 ILE 31 HD11 ILE 31 -16.865 -10.088 -1.181 345 HD12 ILE 31 HD12 ILE 31 -17.068 -11.713 -0.526 346 HD13 ILE 31 HD13 ILE 31 -15.604 -10.795 -0.172 347 H GLN 32 HN GLN 32 -15.681 -10.409 4.813 348 HA GLN 32 HA GLN 32 -16.210 -12.816 6.205 349 HB2 GLN 32 HB2 GLN 32 -14.217 -10.611 6.724 350 HB3 GLN 32 HB1 GLN 32 -14.225 -12.156 7.565 351 HG2 GLN 32 HG2 GLN 32 -13.849 -13.318 5.472 352 HG3 GLN 32 HG1 GLN 32 -13.897 -11.796 4.593 353 HE21 GLN 32 HE21 GLN 32 -12.371 -12.000 7.708 354 HE22 GLN 32 HE22 GLN 32 -10.747 -11.864 7.139 355 H ASP 33 HN ASP 33 -17.004 -9.513 6.820 356 HA ASP 33 HA ASP 33 -17.654 -10.047 9.620 357 HB2 ASP 33 HB2 ASP 33 -16.500 -7.918 8.981 358 HB3 ASP 33 HB1 ASP 33 -17.936 -7.464 8.078 359 HA PRO 34 HA PRO 34 -21.827 -11.104 8.381 360 HB2 PRO 34 HB2 PRO 34 -22.358 -10.789 11.271 361 HB3 PRO 34 HB1 PRO 34 -22.627 -12.183 10.222 362 HG2 PRO 34 HG2 PRO 34 -20.647 -12.157 12.016 363 HG3 PRO 34 HG1 PRO 34 -20.453 -12.931 10.434 364 HD2 PRO 34 HD2 PRO 34 -19.433 -10.289 11.392 365 HD3 PRO 34 HD1 PRO 34 -18.648 -11.499 10.355 366 H ASP 35 HN ASP 35 -21.080 -8.469 10.613 367 HA ASP 35 HA ASP 35 -23.592 -7.166 10.463 368 HB2 ASP 35 HB2 ASP 35 -20.835 -6.207 11.219 369 HB3 ASP 35 HB1 ASP 35 -22.226 -5.134 11.218 370 H LEU 36 HN LEU 36 -20.561 -6.777 8.713 371 HA LEU 36 HA LEU 36 -21.525 -4.608 7.122 372 HB2 LEU 36 HB2 LEU 36 -19.101 -6.382 6.799 373 HB3 LEU 36 HB1 LEU 36 -19.420 -4.954 5.836 374 HG LEU 36 HG LEU 36 -18.862 -5.038 8.800 375 HD11 LEU 36 HD11 LEU 36 -16.863 -3.753 8.175 376 HD12 LEU 36 HD12 LEU 36 -17.286 -3.953 6.474 377 HD13 LEU 36 HD13 LEU 36 -16.884 -5.362 7.454 378 HD21 LEU 36 HD21 LEU 36 -19.486 -2.685 7.020 379 HD22 LEU 36 HD22 LEU 36 -18.925 -2.584 8.688 380 HD23 LEU 36 HD23 LEU 36 -20.494 -3.304 8.328 381 H LYS 37 HN LYS 37 -21.291 -8.075 6.754 382 HA LYS 37 HA LYS 37 -21.731 -8.249 3.998 383 HB2 LYS 37 HB2 LYS 37 -21.000 -10.153 5.395 384 HB3 LYS 37 HB1 LYS 37 -22.587 -10.199 6.149 385 HG2 LYS 37 HG2 LYS 37 -22.421 -11.931 4.483 386 HG3 LYS 37 HG1 LYS 37 -23.589 -10.714 3.961 387 HD2 LYS 37 HD2 LYS 37 -21.778 -9.674 2.589 388 HD3 LYS 37 HD1 LYS 37 -20.744 -11.039 3.012 389 HE2 LYS 37 HE2 LYS 37 -23.376 -11.199 1.553 390 HE3 LYS 37 HE1 LYS 37 -21.780 -11.333 0.817 391 HZ1 LYS 37 HZ1 LYS 37 -21.412 -13.290 2.290 392 HZ2 LYS 37 HZ2 LYS 37 -22.615 -13.505 1.126 393 HZ3 LYS 37 HZ3 LYS 37 -23.043 -13.210 2.732 394 H LYS 38 HN LYS 38 -23.863 -7.530 6.599 395 HA LYS 38 HA LYS 38 -26.344 -8.165 5.534 396 HB2 LYS 38 HB2 LYS 38 -25.602 -5.748 7.183 397 HB3 LYS 38 HB1 LYS 38 -27.233 -6.376 6.961 398 HG2 LYS 38 HG2 LYS 38 -26.300 -8.555 7.945 399 HG3 LYS 38 HG1 LYS 38 -24.943 -7.553 8.478 400 HD2 LYS 38 HD2 LYS 38 -26.424 -6.139 9.739 401 HD3 LYS 38 HD1 LYS 38 -27.836 -6.988 9.105 402 HE2 LYS 38 HE2 LYS 38 -26.971 -9.068 10.180 403 HE3 LYS 38 HE1 LYS 38 -25.709 -8.094 10.931 404 HZ1 LYS 38 HZ1 LYS 38 -28.630 -7.717 11.303 405 HZ2 LYS 38 HZ2 LYS 38 -27.416 -6.796 12.033 406 HZ3 LYS 38 HZ3 LYS 38 -27.581 -8.430 12.418 407 H ARG 39 HN ARG 39 -24.464 -5.169 5.168 408 HA ARG 39 HA ARG 39 -26.439 -4.014 3.422 409 HB2 ARG 39 HB2 ARG 39 -25.118 -2.604 4.937 410 HB3 ARG 39 HB1 ARG 39 -23.642 -3.091 4.118 411 HG2 ARG 39 HG2 ARG 39 -24.386 -0.867 3.435 412 HG3 ARG 39 HG1 ARG 39 -24.371 -2.001 2.085 413 HD2 ARG 39 HD2 ARG 39 -26.375 -0.648 2.003 414 HD3 ARG 39 HD1 ARG 39 -26.794 -2.322 2.353 415 HE ARG 39 HE ARG 39 -26.522 -0.967 4.781 416 HH11 ARG 39 HH11 ARG 39 -28.615 -0.995 1.974 417 HH12 ARG 39 HH12 ARG 39 -29.996 -0.419 2.845 418 HH21 ARG 39 HH21 ARG 39 -28.340 -0.216 5.929 419 HH22 ARG 39 HH22 ARG 39 -29.844 0.023 5.095 420 H PHE 40 HN PHE 40 -23.404 -5.679 3.146 421 HA PHE 40 HA PHE 40 -22.800 -5.182 0.457 422 HB2 PHE 40 HB2 PHE 40 -21.343 -6.266 2.223 423 HB3 PHE 40 HB1 PHE 40 -22.265 -7.740 1.970 424 HD1 PHE 40 HD1 PHE 40 -20.186 -5.253 0.168 425 HD2 PHE 40 HD2 PHE 40 -21.609 -9.257 0.350 426 HE1 PHE 40 HE1 PHE 40 -18.662 -5.873 -1.658 427 HE2 PHE 40 HE2 PHE 40 -20.088 -9.886 -1.476 428 HZ PHE 40 HZ PHE 40 -18.610 -8.191 -2.483 429 H ASP 41 HN ASP 41 -24.900 -7.544 2.005 430 HA ASP 41 HA ASP 41 -25.537 -8.903 -0.447 431 HB2 ASP 41 HB2 ASP 41 -25.576 -10.107 1.682 432 HB3 ASP 41 HB1 ASP 41 -26.847 -9.042 2.277 433 H GLU 42 HN GLU 42 -26.960 -6.319 1.465 434 HA GLU 42 HA GLU 42 -29.511 -6.227 0.331 435 HB2 GLU 42 HB2 GLU 42 -27.762 -3.977 1.330 436 HB3 GLU 42 HB1 GLU 42 -29.457 -3.796 0.915 437 HG2 GLU 42 HG2 GLU 42 -28.417 -5.650 3.035 438 HG3 GLU 42 HG1 GLU 42 -29.033 -4.027 3.335 439 H ILE 43 HN ILE 43 -26.460 -4.861 -0.767 440 HA ILE 43 HA ILE 43 -27.704 -3.653 -3.099 441 HB ILE 43 HB ILE 43 -24.753 -3.841 -2.461 442 HG12 ILE 43 HG12 ILE 43 -25.867 -2.789 -0.576 443 HG13 ILE 43 HG11 ILE 43 -24.988 -1.574 -1.494 444 HG21 ILE 43 HG21 ILE 43 -25.241 -3.210 -4.762 445 HG22 ILE 43 HG22 ILE 43 -24.572 -1.841 -3.870 446 HG23 ILE 43 HG23 ILE 43 -26.305 -1.922 -4.195 447 HD11 ILE 43 HD11 ILE 43 -27.090 -0.886 -2.558 448 HD12 ILE 43 HD12 ILE 43 -27.132 -0.717 -0.803 449 HD13 ILE 43 HD13 ILE 43 -27.953 -2.071 -1.577 450 H LYS 44 HN LYS 44 -26.734 -6.636 -2.203 451 HA LYS 44 HA LYS 44 -26.093 -8.574 -3.160 452 HB2 LYS 44 HB2 LYS 44 -28.285 -8.073 -4.330 453 HB3 LYS 44 HB1 LYS 44 -27.338 -7.470 -5.682 454 HG2 LYS 44 HG2 LYS 44 -28.037 -9.743 -6.105 455 HG3 LYS 44 HG1 LYS 44 -26.285 -9.678 -5.915 456 HD2 LYS 44 HD2 LYS 44 -26.596 -10.378 -3.534 457 HD3 LYS 44 HD1 LYS 44 -28.310 -10.603 -3.882 458 HE2 LYS 44 HE2 LYS 44 -27.137 -12.721 -4.010 459 HE3 LYS 44 HE1 LYS 44 -27.727 -12.252 -5.604 460 HZ1 LYS 44 HZ1 LYS 44 -25.451 -13.104 -5.666 461 HZ2 LYS 44 HZ2 LYS 44 -24.947 -11.862 -4.636 462 HZ3 LYS 44 HZ3 LYS 44 -25.525 -11.497 -6.179 463 H MET 45 HN MET 45 -24.056 -6.849 -2.996 464 HA MET 45 HA MET 45 -22.768 -6.552 -5.575 465 HB2 MET 45 HB2 MET 45 -22.676 -4.800 -3.779 466 HB3 MET 45 HB1 MET 45 -21.690 -5.898 -2.827 467 HG2 MET 45 HG2 MET 45 -19.955 -5.857 -4.499 468 HG3 MET 45 HG1 MET 45 -20.960 -4.867 -5.557 469 HE1 MET 45 HE1 MET 45 -21.820 -2.437 -4.849 470 HE2 MET 45 HE2 MET 45 -21.216 -1.548 -3.452 471 HE3 MET 45 HE3 MET 45 -22.274 -2.937 -3.219 472 H THR 46 HN THR 46 -20.684 -7.456 -6.049 473 HA THR 46 HA THR 46 -20.113 -9.911 -4.535 474 HB THR 46 HB THR 46 -19.280 -10.876 -6.668 475 HG1 THR 46 HG1 THR 46 -20.637 -9.090 -8.256 476 HG21 THR 46 HG21 THR 46 -21.489 -11.261 -7.681 477 HG22 THR 46 HG22 THR 46 -22.149 -9.935 -6.722 478 HG23 THR 46 HG23 THR 46 -21.544 -11.387 -5.922 479 H TYR 47 HN TYR 47 -17.807 -10.661 -4.796 480 HA TYR 47 HA TYR 47 -16.022 -8.700 -3.904 481 HB2 TYR 47 HB2 TYR 47 -15.648 -11.047 -3.432 482 HB3 TYR 47 HB1 TYR 47 -15.494 -11.411 -5.147 483 HD1 TYR 47 HD1 TYR 47 -13.448 -11.031 -6.316 484 HD2 TYR 47 HD2 TYR 47 -13.837 -9.834 -2.251 485 HE1 TYR 47 HE1 TYR 47 -11.021 -10.683 -6.194 486 HE2 TYR 47 HE2 TYR 47 -11.405 -9.483 -2.122 487 HH TYR 47 HH TYR 47 -9.422 -9.392 -4.878 488 H GLU 48 HN GLU 48 -16.411 -10.128 -7.125 489 HA GLU 48 HA GLU 48 -14.275 -8.773 -8.357 490 HB2 GLU 48 HB2 GLU 48 -16.816 -9.875 -9.559 491 HB3 GLU 48 HB1 GLU 48 -15.414 -9.352 -10.482 492 HG2 GLU 48 HG2 GLU 48 -14.058 -11.070 -9.448 493 HG3 GLU 48 HG1 GLU 48 -15.422 -11.569 -8.451 494 H GLN 49 HN GLN 49 -17.462 -7.748 -7.512 495 HA GLN 49 HA GLN 49 -17.541 -5.504 -9.295 496 HB2 GLN 49 HB2 GLN 49 -19.553 -6.636 -8.241 497 HB3 GLN 49 HB1 GLN 49 -19.103 -5.848 -6.734 498 HG2 GLN 49 HG2 GLN 49 -20.810 -4.557 -7.798 499 HG3 GLN 49 HG1 GLN 49 -19.294 -3.660 -7.877 500 HE21 GLN 49 HE21 GLN 49 -19.978 -2.450 -9.640 501 HE22 GLN 49 HE22 GLN 49 -20.115 -3.126 -11.225 502 H CYS 50 HN CYS 50 -16.778 -6.011 -5.883 503 HA CYS 50 HA CYS 50 -16.340 -3.402 -5.078 504 HB2 CYS 50 HB2 CYS 50 -14.647 -5.743 -4.217 505 HB3 CYS 50 HB1 CYS 50 -15.004 -4.288 -3.298 506 H VAL 51 HN VAL 51 -14.061 -5.653 -6.627 507 HA VAL 51 HA VAL 51 -11.839 -3.940 -6.236 508 HB VAL 51 HB VAL 51 -10.614 -5.441 -7.784 509 HG11 VAL 51 HG11 VAL 51 -12.201 -6.792 -5.606 510 HG12 VAL 51 HG12 VAL 51 -10.686 -5.907 -5.406 511 HG13 VAL 51 HG13 VAL 51 -10.715 -7.412 -6.325 512 HG21 VAL 51 HG21 VAL 51 -13.253 -6.888 -7.957 513 HG22 VAL 51 HG22 VAL 51 -11.710 -7.482 -8.574 514 HG23 VAL 51 HG23 VAL 51 -12.444 -6.038 -9.272 515 H THR 52 HN THR 52 -14.321 -3.834 -8.561 516 HA THR 52 HA THR 52 -12.661 -2.308 -10.406 517 HB THR 52 HB THR 52 -14.505 -3.947 -11.152 518 HG1 THR 52 HG1 THR 52 -13.565 -2.623 -12.676 519 HG21 THR 52 HG21 THR 52 -16.734 -2.990 -11.416 520 HG22 THR 52 HG22 THR 52 -16.228 -1.553 -10.530 521 HG23 THR 52 HG23 THR 52 -16.299 -3.113 -9.712 522 H LEU 53 HN LEU 53 -14.511 -1.802 -7.643 523 HA LEU 53 HA LEU 53 -15.184 0.967 -8.330 524 HB2 LEU 53 HB2 LEU 53 -15.934 -0.537 -5.833 525 HB3 LEU 53 HB1 LEU 53 -16.630 0.959 -6.428 526 HG LEU 53 HG LEU 53 -16.919 -1.762 -7.687 527 HD11 LEU 53 HD11 LEU 53 -18.244 -1.594 -5.703 528 HD12 LEU 53 HD12 LEU 53 -19.312 -1.433 -7.096 529 HD13 LEU 53 HD13 LEU 53 -18.837 -0.002 -6.177 530 HD21 LEU 53 HD21 LEU 53 -18.098 0.879 -8.525 531 HD22 LEU 53 HD22 LEU 53 -18.469 -0.696 -9.229 532 HD23 LEU 53 HD23 LEU 53 -16.847 -0.024 -9.384 533 H ILE 54 HN ILE 54 -13.392 -0.968 -6.006 534 HA ILE 54 HA ILE 54 -12.656 0.979 -4.184 535 HB ILE 54 HB ILE 54 -11.059 -1.444 -5.017 536 HG12 ILE 54 HG12 ILE 54 -13.323 -1.975 -4.230 537 HG13 ILE 54 HG11 ILE 54 -12.113 -2.507 -3.069 538 HG21 ILE 54 HG21 ILE 54 -9.596 0.013 -3.845 539 HG22 ILE 54 HG22 ILE 54 -10.109 -1.221 -2.696 540 HG23 ILE 54 HG23 ILE 54 -10.826 0.388 -2.643 541 HD11 ILE 54 HD11 ILE 54 -13.975 -1.529 -1.920 542 HD12 ILE 54 HD12 ILE 54 -13.832 -0.052 -2.873 543 HD13 ILE 54 HD13 ILE 54 -12.559 -0.491 -1.735 544 HA PRO 55 HA PRO 55 -8.603 1.663 -7.124 545 HB2 PRO 55 HB2 PRO 55 -10.395 1.758 -9.520 546 HB3 PRO 55 HB1 PRO 55 -8.674 1.361 -9.417 547 HG2 PRO 55 HG2 PRO 55 -10.462 -0.578 -9.645 548 HG3 PRO 55 HG1 PRO 55 -9.080 -0.756 -8.545 549 HD2 PRO 55 HD2 PRO 55 -11.940 -0.210 -7.927 550 HD3 PRO 55 HD1 PRO 55 -10.740 -1.132 -7.001 551 H GLU 56 HN GLU 56 -11.847 2.945 -7.145 552 HA GLU 56 HA GLU 56 -11.142 5.571 -8.018 553 HB2 GLU 56 HB2 GLU 56 -13.485 4.639 -6.348 554 HB3 GLU 56 HB1 GLU 56 -13.320 6.244 -7.046 555 HG2 GLU 56 HG2 GLU 56 -13.629 3.641 -8.514 556 HG3 GLU 56 HG1 GLU 56 -14.796 4.957 -8.407 557 H SER 57 HN SER 57 -11.686 4.104 -4.829 558 HA SER 57 HA SER 57 -11.040 6.533 -3.453 559 HB2 SER 57 HB2 SER 57 -12.664 4.845 -2.573 560 HB3 SER 57 HB1 SER 57 -11.313 3.756 -2.299 561 HG SER 57 HG SER 57 -10.467 5.720 -1.065 562 H THR 58 HN THR 58 -9.303 3.669 -4.445 563 HA THR 58 HA THR 58 -7.123 3.764 -2.712 564 HB THR 58 HB THR 58 -5.794 2.724 -4.553 565 HG1 THR 58 HG1 THR 58 -6.455 2.999 -6.529 566 HG21 THR 58 HG21 THR 58 -7.129 0.686 -4.751 567 HG22 THR 58 HG22 THR 58 -8.552 1.566 -4.184 568 HG23 THR 58 HG23 THR 58 -7.179 1.322 -3.104 569 H LYS 59 HN LYS 59 -7.652 5.455 -5.769 570 HA LYS 59 HA LYS 59 -5.140 6.787 -5.772 571 HB2 LYS 59 HB2 LYS 59 -6.746 6.314 -7.739 572 HB3 LYS 59 HB1 LYS 59 -7.603 7.751 -7.208 573 HG2 LYS 59 HG2 LYS 59 -6.109 8.332 -8.989 574 HG3 LYS 59 HG1 LYS 59 -5.520 9.048 -7.488 575 HD2 LYS 59 HD2 LYS 59 -3.843 7.354 -7.257 576 HD3 LYS 59 HD1 LYS 59 -4.516 6.436 -8.605 577 HE2 LYS 59 HE2 LYS 59 -2.534 7.619 -9.325 578 HE3 LYS 59 HE1 LYS 59 -3.954 8.295 -10.118 579 HZ1 LYS 59 HZ1 LYS 59 -3.940 10.088 -8.468 580 HZ2 LYS 59 HZ2 LYS 59 -2.516 10.047 -9.372 581 HZ3 LYS 59 HZ3 LYS 59 -2.526 9.453 -7.790 582 H LYS 60 HN LYS 60 -8.372 7.600 -4.658 583 HA LYS 60 HA LYS 60 -7.942 10.307 -4.030 584 HB2 LYS 60 HB2 LYS 60 -10.184 9.490 -4.121 585 HB3 LYS 60 HB1 LYS 60 -9.851 8.244 -2.927 586 HG2 LYS 60 HG2 LYS 60 -9.547 9.972 -1.217 587 HG3 LYS 60 HG1 LYS 60 -9.913 11.212 -2.417 588 HD2 LYS 60 HD2 LYS 60 -11.787 8.990 -1.611 589 HD3 LYS 60 HD1 LYS 60 -11.848 10.637 -0.979 590 HE2 LYS 60 HE2 LYS 60 -12.226 9.788 -3.847 591 HE3 LYS 60 HE1 LYS 60 -13.478 10.366 -2.749 592 HZ1 LYS 60 HZ1 LYS 60 -11.178 11.928 -3.792 593 HZ2 LYS 60 HZ2 LYS 60 -12.276 12.495 -2.637 594 HZ3 LYS 60 HZ3 LYS 60 -12.807 12.130 -4.198 595 H CYS 61 HN CYS 61 -7.914 7.448 -1.917 596 HA CYS 61 HA CYS 61 -7.057 8.831 0.384 597 HB2 CYS 61 HB2 CYS 61 -6.812 5.894 -0.299 598 HB3 CYS 61 HB1 CYS 61 -6.684 6.589 1.316 599 H GLN 62 HN GLN 62 -5.348 7.403 -2.287 600 HA GLN 62 HA GLN 62 -2.745 7.393 -1.264 601 HB2 GLN 62 HB2 GLN 62 -3.350 6.405 -3.425 602 HB3 GLN 62 HB1 GLN 62 -3.719 7.995 -4.067 603 HG2 GLN 62 HG2 GLN 62 -0.992 7.449 -3.016 604 HG3 GLN 62 HG1 GLN 62 -1.450 6.811 -4.592 605 HE21 GLN 62 HE21 GLN 62 -3.191 9.116 -5.171 606 HE22 GLN 62 HE22 GLN 62 -2.129 10.433 -5.530 607 H ASP 63 HN ASP 63 -4.460 9.922 -3.072 608 HA ASP 63 HA ASP 63 -2.488 11.900 -2.926 609 HB2 ASP 63 HB2 ASP 63 -4.457 11.956 -4.435 610 HB3 ASP 63 HB1 ASP 63 -5.488 12.275 -3.046 611 H GLU 64 HN GLU 64 -4.988 10.959 -0.685 612 HA GLU 64 HA GLU 64 -4.999 13.173 1.020 613 HB2 GLU 64 HB2 GLU 64 -5.497 10.243 1.585 614 HB3 GLU 64 HB1 GLU 64 -5.800 11.528 2.743 615 HG2 GLU 64 HG2 GLU 64 -7.141 11.162 0.075 616 HG3 GLU 64 HG1 GLU 64 -7.860 10.921 1.667 617 H LEU 65 HN LEU 65 -3.238 10.133 1.328 618 HA LEU 65 HA LEU 65 -1.873 11.133 3.679 619 HB2 LEU 65 HB2 LEU 65 -1.713 8.414 2.398 620 HB3 LEU 65 HB1 LEU 65 -1.206 8.851 4.018 621 HG LEU 65 HG LEU 65 -4.065 9.174 3.156 622 HD11 LEU 65 HD11 LEU 65 -2.806 6.708 4.326 623 HD12 LEU 65 HD12 LEU 65 -3.495 6.875 2.710 624 HD13 LEU 65 HD13 LEU 65 -4.536 6.992 4.126 625 HD21 LEU 65 HD21 LEU 65 -3.356 10.299 5.205 626 HD22 LEU 65 HD22 LEU 65 -2.763 8.766 5.845 627 HD23 LEU 65 HD23 LEU 65 -4.487 8.990 5.549 628 H TYR 66 HN TYR 66 -1.164 10.479 0.336 629 HA TYR 66 HA TYR 66 1.517 9.992 0.237 630 HB2 TYR 66 HB2 TYR 66 0.293 10.085 -1.797 631 HB3 TYR 66 HB1 TYR 66 -0.183 11.754 -1.524 632 HD1 TYR 66 HD1 TYR 66 1.084 13.510 -2.406 633 HD2 TYR 66 HD2 TYR 66 2.770 9.607 -2.253 634 HE1 TYR 66 HE1 TYR 66 2.985 14.287 -3.754 635 HE2 TYR 66 HE2 TYR 66 4.680 10.375 -3.601 636 HH TYR 66 HH TYR 66 5.283 13.691 -4.206 637 H ALA 67 HN ALA 67 0.037 13.173 0.721 638 HA ALA 67 HA ALA 67 2.475 14.616 0.571 639 HB1 ALA 67 HB1 ALA 67 1.186 16.499 1.413 640 HB2 ALA 67 HB2 ALA 67 -0.137 15.416 1.845 641 HB3 ALA 67 HB3 ALA 67 0.300 15.644 0.152 642 H SER 68 HN SER 68 0.975 12.814 3.092 643 HA SER 68 HA SER 68 2.535 14.165 5.169 644 HB2 SER 68 HB2 SER 68 0.451 12.001 5.489 645 HB3 SER 68 HB1 SER 68 1.095 13.056 6.745 646 HG SER 68 HG SER 68 0.220 14.773 5.151 647 H MET 69 HN MET 69 2.586 11.370 3.220 648 HA MET 69 HA MET 69 3.907 9.613 5.042 649 HB2 MET 69 HB2 MET 69 3.602 9.546 2.043 650 HB3 MET 69 HB1 MET 69 4.367 8.271 2.974 651 HG2 MET 69 HG2 MET 69 2.158 8.196 4.284 652 HG3 MET 69 HG1 MET 69 1.498 9.100 2.925 653 HE1 MET 69 HE1 MET 69 2.408 6.585 -0.022 654 HE2 MET 69 HE2 MET 69 3.282 7.986 0.601 655 HE3 MET 69 HE3 MET 69 1.542 8.077 0.330 656 HA PRO 70 HA PRO 70 8.071 11.022 4.625 657 HB2 PRO 70 HB2 PRO 70 9.385 8.717 5.178 658 HB3 PRO 70 HB1 PRO 70 8.546 9.658 6.418 659 HG2 PRO 70 HG2 PRO 70 7.621 7.219 4.941 660 HG3 PRO 70 HG1 PRO 70 7.498 7.592 6.670 661 HD2 PRO 70 HD2 PRO 70 5.420 7.914 4.975 662 HD3 PRO 70 HD1 PRO 70 5.677 8.980 6.371 663 H ASP 71 HN ASP 71 10.213 10.217 3.569 664 HA ASP 71 HA ASP 71 9.857 10.071 0.804 665 HB2 ASP 71 HB2 ASP 71 11.939 10.824 2.018 666 HB3 ASP 71 HB1 ASP 71 12.306 9.126 2.303 667 H LYS 72 HN LYS 72 10.730 7.524 3.118 668 HA LYS 72 HA LYS 72 10.044 5.556 1.054 669 HB2 LYS 72 HB2 LYS 72 12.283 5.376 3.072 670 HB3 LYS 72 HB1 LYS 72 11.819 4.102 1.951 671 HG2 LYS 72 HG2 LYS 72 12.360 5.557 0.071 672 HG3 LYS 72 HG1 LYS 72 12.828 6.831 1.191 673 HD2 LYS 72 HD2 LYS 72 14.600 5.399 2.076 674 HD3 LYS 72 HD1 LYS 72 14.126 4.120 0.955 675 HE2 LYS 72 HE2 LYS 72 16.056 5.390 0.130 676 HE3 LYS 72 HE1 LYS 72 14.663 5.541 -0.937 677 HZ1 LYS 72 HZ1 LYS 72 15.478 7.552 1.092 678 HZ2 LYS 72 HZ2 LYS 72 14.189 7.705 0.001 679 HZ3 LYS 72 HZ3 LYS 72 15.788 7.665 -0.566 680 H ILE 73 HN ILE 73 9.236 3.563 1.784 681 HA ILE 73 HA ILE 73 7.788 3.837 4.331 682 HB ILE 73 HB ILE 73 6.981 2.380 1.810 683 HG12 ILE 73 HG12 ILE 73 6.876 4.827 1.579 684 HG13 ILE 73 HG11 ILE 73 5.267 4.112 1.574 685 HG21 ILE 73 HG21 ILE 73 6.128 1.287 3.817 686 HG22 ILE 73 HG22 ILE 73 4.819 2.058 2.921 687 HG23 ILE 73 HG23 ILE 73 5.458 2.818 4.380 688 HD11 ILE 73 HD11 ILE 73 6.584 5.519 3.885 689 HD12 ILE 73 HD12 ILE 73 4.989 4.768 3.921 690 HD13 ILE 73 HD13 ILE 73 5.290 6.151 2.867 691 H ASN 74 HN ASN 74 8.700 2.566 5.813 692 HA ASN 74 HA ASN 74 10.086 0.136 5.064 693 HB2 ASN 74 HB2 ASN 74 9.640 1.446 7.757 694 HB3 ASN 74 HB1 ASN 74 10.643 0.025 7.485 695 HD21 ASN 74 HD21 ASN 74 12.626 0.248 6.494 696 HD22 ASN 74 HD22 ASN 74 13.366 1.783 6.200 697 H SER 75 HN SER 75 9.649 -1.732 6.857 698 HA SER 75 HA SER 75 7.246 -2.893 6.064 699 HB2 SER 75 HB2 SER 75 8.874 -3.559 8.525 700 HB3 SER 75 HB1 SER 75 7.731 -4.626 7.707 701 HG SER 75 HG SER 75 9.137 -4.285 5.796 702 H GLU 76 HN GLU 76 8.049 -1.377 9.189 703 HA GLU 76 HA GLU 76 5.477 -1.672 10.323 704 HB2 GLU 76 HB2 GLU 76 7.483 -1.210 11.661 705 HB3 GLU 76 HB1 GLU 76 7.624 0.373 10.911 706 HG2 GLU 76 HG2 GLU 76 5.431 0.980 11.880 707 HG3 GLU 76 HG1 GLU 76 5.410 -0.574 12.712 708 H THR 77 HN THR 77 6.978 0.845 8.391 709 HA THR 77 HA THR 77 5.039 2.852 8.755 710 HB THR 77 HB THR 77 6.610 2.583 6.211 711 HG1 THR 77 HG1 THR 77 7.644 3.153 8.814 712 HG21 THR 77 HG21 THR 77 5.254 4.557 6.419 713 HG22 THR 77 HG22 THR 77 6.942 5.024 6.616 714 HG23 THR 77 HG23 THR 77 5.894 4.885 8.027 715 H ALA 78 HN ALA 78 5.416 0.237 6.456 716 HA ALA 78 HA ALA 78 3.414 0.877 4.621 717 HB1 ALA 78 HB1 ALA 78 3.499 -1.489 4.006 718 HB2 ALA 78 HB2 ALA 78 4.403 -1.838 5.480 719 HB3 ALA 78 HB3 ALA 78 5.115 -0.820 4.229 720 H GLY 79 HN GLY 79 3.250 -1.126 7.557 721 HA2 GLY 79 HA2 GLY 79 0.522 -1.833 7.221 722 HA3 GLY 79 HA1 GLY 79 1.447 -1.968 8.707 723 H THR 80 HN THR 80 2.103 0.925 8.617 724 HA THR 80 HA THR 80 -0.124 1.814 10.164 725 HB THR 80 HB THR 80 2.301 3.346 9.211 726 HG1 THR 80 HG1 THR 80 2.290 1.340 10.787 727 HG21 THR 80 HG21 THR 80 1.800 4.872 11.074 728 HG22 THR 80 HG22 THR 80 0.322 3.969 11.409 729 HG23 THR 80 HG23 THR 80 0.495 4.845 9.887 730 H TRP 81 HN TRP 81 1.292 2.943 7.076 731 HA TRP 81 HA TRP 81 -0.894 4.773 6.666 732 HB2 TRP 81 HB2 TRP 81 1.385 3.940 4.863 733 HB3 TRP 81 HB1 TRP 81 0.209 5.195 4.467 734 HD1 TRP 81 HD1 TRP 81 3.356 4.599 6.441 735 HE1 TRP 81 HE1 TRP 81 4.084 6.792 7.583 736 HE3 TRP 81 HE3 TRP 81 -0.825 7.376 5.560 737 HZ2 TRP 81 HZ2 TRP 81 3.014 9.358 8.045 738 HZ3 TRP 81 HZ3 TRP 81 -0.904 9.693 6.377 739 HH2 TRP 81 HH2 TRP 81 0.978 10.666 7.599 740 H GLY 82 HN GLY 82 -0.098 1.530 5.735 741 HA2 GLY 82 HA2 GLY 82 -1.873 1.223 3.577 742 HA3 GLY 82 HA1 GLY 82 -1.290 -0.070 4.615 743 H ARG 83 HN ARG 83 -2.369 0.932 7.070 744 HA ARG 83 HA ARG 83 -5.048 -0.025 6.769 745 HB2 ARG 83 HB2 ARG 83 -5.222 0.137 9.153 746 HB3 ARG 83 HB1 ARG 83 -3.625 -0.488 8.772 747 HG2 ARG 83 HG2 ARG 83 -2.702 1.776 9.096 748 HG3 ARG 83 HG1 ARG 83 -4.306 2.328 9.577 749 HD2 ARG 83 HD2 ARG 83 -2.944 1.853 11.523 750 HD3 ARG 83 HD1 ARG 83 -4.294 0.724 11.422 751 HE ARG 83 HE ARG 83 -2.003 -0.360 10.162 752 HH11 ARG 83 HH11 ARG 83 -3.305 0.341 13.340 753 HH12 ARG 83 HH12 ARG 83 -2.422 -0.933 14.118 754 HH21 ARG 83 HH21 ARG 83 -0.845 -2.042 11.193 755 HH22 ARG 83 HH22 ARG 83 -1.025 -2.280 12.903 756 H SER 84 HN SER 84 -3.509 3.096 7.076 757 HA SER 84 HA SER 84 -5.799 4.658 7.545 758 HB2 SER 84 HB2 SER 84 -3.328 5.420 5.969 759 HB3 SER 84 HB1 SER 84 -4.470 6.529 6.729 760 HG SER 84 HG SER 84 -2.690 6.267 8.069 761 H LEU 85 HN LEU 85 -4.208 3.632 4.537 762 HA LEU 85 HA LEU 85 -6.039 4.728 2.728 763 HB2 LEU 85 HB2 LEU 85 -4.413 2.189 2.549 764 HB3 LEU 85 HB1 LEU 85 -5.314 2.866 1.208 765 HG LEU 85 HG LEU 85 -3.077 4.322 2.617 766 HD11 LEU 85 HD11 LEU 85 -2.999 2.774 0.032 767 HD12 LEU 85 HD12 LEU 85 -2.267 2.261 1.551 768 HD13 LEU 85 HD13 LEU 85 -1.679 3.709 0.733 769 HD21 LEU 85 HD21 LEU 85 -3.113 5.740 0.631 770 HD22 LEU 85 HD22 LEU 85 -4.676 5.758 1.446 771 HD23 LEU 85 HD23 LEU 85 -4.458 4.805 -0.021 772 H GLY 86 HN GLY 86 -5.982 1.577 4.344 773 HA2 GLY 86 HA2 GLY 86 -8.178 0.428 3.084 774 HA3 GLY 86 HA1 GLY 86 -7.601 -0.005 4.682 775 H GLU 87 HN GLU 87 -8.142 2.132 6.221 776 HA GLU 87 HA GLU 87 -10.917 1.872 6.643 777 HB2 GLU 87 HB2 GLU 87 -10.630 3.580 8.385 778 HB3 GLU 87 HB1 GLU 87 -9.391 2.338 8.479 779 HG2 GLU 87 HG2 GLU 87 -7.845 3.873 7.284 780 HG3 GLU 87 HG1 GLU 87 -9.090 5.119 7.370 781 H CYS 88 HN CYS 88 -8.977 4.407 5.157 782 HA CYS 88 HA CYS 88 -10.988 6.323 4.781 783 HB2 CYS 88 HB2 CYS 88 -8.667 6.901 4.490 784 HB3 CYS 88 HB1 CYS 88 -8.481 5.711 3.207 785 H ILE 89 HN ILE 89 -9.805 3.757 2.656 786 HA ILE 89 HA ILE 89 -11.507 4.260 0.476 787 HB ILE 89 HB ILE 89 -10.095 1.762 1.391 788 HG12 ILE 89 HG12 ILE 89 -9.542 3.640 -0.917 789 HG13 ILE 89 HG11 ILE 89 -8.739 3.732 0.648 790 HG21 ILE 89 HG21 ILE 89 -10.580 0.798 -0.791 791 HG22 ILE 89 HG22 ILE 89 -11.560 2.204 -1.204 792 HG23 ILE 89 HG23 ILE 89 -12.067 1.131 0.098 793 HD11 ILE 89 HD11 ILE 89 -7.823 1.507 0.305 794 HD12 ILE 89 HD12 ILE 89 -7.364 2.607 -0.994 795 HD13 ILE 89 HD13 ILE 89 -8.634 1.410 -1.257 796 H GLY 90 HN GLY 90 -11.844 2.055 3.250 797 HA2 GLY 90 HA2 GLY 90 -14.265 0.870 2.499 798 HA3 GLY 90 HA1 GLY 90 -13.710 1.067 4.156 799 H LYS 91 HN LYS 91 -13.604 3.978 3.948 800 HA LYS 91 HA LYS 91 -16.291 4.562 4.699 801 HB2 LYS 91 HB2 LYS 91 -13.874 6.310 4.261 802 HB3 LYS 91 HB1 LYS 91 -15.424 6.933 4.809 803 HG2 LYS 91 HG2 LYS 91 -15.296 5.682 6.833 804 HG3 LYS 91 HG1 LYS 91 -13.884 4.792 6.258 805 HD2 LYS 91 HD2 LYS 91 -13.215 6.515 7.835 806 HD3 LYS 91 HD1 LYS 91 -12.597 6.885 6.225 807 HE2 LYS 91 HE2 LYS 91 -14.533 8.410 5.902 808 HE3 LYS 91 HE1 LYS 91 -14.996 8.112 7.574 809 HZ1 LYS 91 HZ1 LYS 91 -13.725 10.156 7.343 810 HZ2 LYS 91 HZ2 LYS 91 -12.425 9.299 6.685 811 HZ3 LYS 91 HZ3 LYS 91 -12.885 9.033 8.288 812 H ASP 92 HN ASP 92 -14.311 5.217 1.849 813 HA ASP 92 HA ASP 92 -16.305 6.897 0.633 814 HB2 ASP 92 HB2 ASP 92 -13.880 7.174 0.169 815 HB3 ASP 92 HB1 ASP 92 -13.875 5.603 -0.626 816 H PHE 93 HN PHE 93 -15.147 3.603 0.220 817 HA PHE 93 HA PHE 93 -16.690 2.836 -1.970 818 HB2 PHE 93 HB2 PHE 93 -14.884 1.453 -1.204 819 HB3 PHE 93 HB1 PHE 93 -15.631 1.255 0.376 820 HD1 PHE 93 HD1 PHE 93 -16.893 -0.620 0.811 821 HD2 PHE 93 HD2 PHE 93 -16.228 0.537 -3.228 822 HE1 PHE 93 HE1 PHE 93 -17.969 -2.695 0.046 823 HE2 PHE 93 HE2 PHE 93 -17.300 -1.538 -3.999 824 HZ PHE 93 HZ PHE 93 -18.172 -3.155 -2.363 825 H ALA 94 HN ALA 94 -17.444 2.723 1.491 826 HA ALA 94 HA ALA 94 -19.883 1.356 1.268 827 HB1 ALA 94 HB1 ALA 94 -19.059 3.342 3.380 828 HB2 ALA 94 HB2 ALA 94 -18.701 1.614 3.392 829 HB3 ALA 94 HB3 ALA 94 -20.372 2.171 3.505 830 H GLU 95 HN GLU 95 -19.254 4.855 1.570 831 HA GLU 95 HA GLU 95 -22.000 5.508 1.303 832 HB2 GLU 95 HB2 GLU 95 -19.560 7.258 1.043 833 HB3 GLU 95 HB1 GLU 95 -21.217 7.844 1.120 834 HG2 GLU 95 HG2 GLU 95 -21.392 6.611 3.327 835 HG3 GLU 95 HG1 GLU 95 -19.642 6.444 3.248 836 H LYS 96 HN LYS 96 -19.539 4.806 -0.968 837 HA LYS 96 HA LYS 96 -20.633 6.123 -3.229 838 HB2 LYS 96 HB2 LYS 96 -18.687 3.927 -2.781 839 HB3 LYS 96 HB1 LYS 96 -19.460 3.984 -4.354 840 HG2 LYS 96 HG2 LYS 96 -18.672 6.349 -4.559 841 HG3 LYS 96 HG1 LYS 96 -17.738 6.090 -3.080 842 HD2 LYS 96 HD2 LYS 96 -16.531 4.264 -4.125 843 HD3 LYS 96 HD1 LYS 96 -17.510 4.414 -5.583 844 HE2 LYS 96 HE2 LYS 96 -15.621 6.493 -4.485 845 HE3 LYS 96 HE1 LYS 96 -15.314 5.446 -5.867 846 HZ1 LYS 96 HZ1 LYS 96 -17.378 7.565 -5.664 847 HZ2 LYS 96 HZ2 LYS 96 -17.261 6.482 -6.955 848 HZ3 LYS 96 HZ3 LYS 96 -16.005 7.571 -6.650 849 H HIS 97 HN HIS 97 -20.654 2.631 -2.506 850 HA HIS 97 HA HIS 97 -23.045 2.468 -4.203 851 HB2 HIS 97 HB2 HIS 97 -20.739 0.563 -3.894 852 HB3 HIS 97 HB1 HIS 97 -22.254 0.102 -4.662 853 HD1 HIS 97 HD1 HIS 97 -22.772 1.126 -6.979 854 HD2 HIS 97 HD2 HIS 97 -19.107 2.274 -5.393 855 HE1 HIS 97 HE1 HIS 97 -21.526 2.208 -8.873 856 HE2 HIS 97 HE2 HIS 97 -19.395 3.069 -7.838 857 H LEU 98 HN LEU 98 -21.626 1.353 -1.177 858 HA LEU 98 HA LEU 98 -23.565 -0.646 -0.672 859 HB2 LEU 98 HB2 LEU 98 -21.835 0.892 1.257 860 HB3 LEU 98 HB1 LEU 98 -22.840 -0.470 1.707 861 HG LEU 98 HG LEU 98 -20.435 -0.516 -0.114 862 HD11 LEU 98 HD11 LEU 98 -20.991 -1.823 2.543 863 HD12 LEU 98 HD12 LEU 98 -19.943 -0.429 2.275 864 HD13 LEU 98 HD13 LEU 98 -19.519 -1.998 1.588 865 HD21 LEU 98 HD21 LEU 98 -22.352 -2.740 0.578 866 HD22 LEU 98 HD22 LEU 98 -20.810 -2.943 -0.253 867 HD23 LEU 98 HD23 LEU 98 -22.107 -2.024 -1.016 868 H ILE 99 HN ILE 99 -23.451 2.804 0.016 869 HA ILE 99 HA ILE 99 -26.094 2.672 1.234 870 HB ILE 99 HB ILE 99 -24.386 5.077 0.564 871 HG12 ILE 99 HG12 ILE 99 -24.927 3.656 3.181 872 HG13 ILE 99 HG11 ILE 99 -23.395 3.694 2.313 873 HG21 ILE 99 HG21 ILE 99 -26.757 5.636 0.565 874 HG22 ILE 99 HG22 ILE 99 -25.950 6.337 1.966 875 HG23 ILE 99 HG23 ILE 99 -26.945 4.894 2.153 876 HD11 ILE 99 HD11 ILE 99 -23.311 5.209 4.171 877 HD12 ILE 99 HD12 ILE 99 -24.778 6.020 3.627 878 HD13 ILE 99 HD13 ILE 99 -23.302 6.134 2.670 879 HA PRO 100 HA PRO 100 -27.667 3.021 -2.960 880 HB2 PRO 100 HB2 PRO 100 -30.103 2.048 -2.482 881 HB3 PRO 100 HB1 PRO 100 -28.682 0.998 -2.451 882 HG2 PRO 100 HG2 PRO 100 -30.202 2.196 -0.173 883 HG3 PRO 100 HG1 PRO 100 -29.524 0.567 -0.333 884 HD2 PRO 100 HD2 PRO 100 -28.328 2.643 1.044 885 HD3 PRO 100 HD1 PRO 100 -27.470 1.231 0.398 886 H LYS 101 HN LYS 101 -28.331 4.875 -0.316 887 HA LYS 101 HA LYS 101 -30.636 6.255 -1.439 888 HB2 LYS 101 HB2 LYS 101 -29.153 6.675 1.165 889 HB3 LYS 101 HB1 LYS 101 -30.603 7.541 0.677 890 HG2 LYS 101 HG2 LYS 101 -30.433 4.562 1.078 891 HG3 LYS 101 HG1 LYS 101 -31.053 5.712 2.263 892 HD2 LYS 101 HD2 LYS 101 -32.830 6.361 0.759 893 HD3 LYS 101 HD1 LYS 101 -32.171 5.336 -0.514 894 HE2 LYS 101 HE2 LYS 101 -34.075 4.276 0.578 895 HE3 LYS 101 HE1 LYS 101 -32.594 3.359 0.840 896 HZ1 LYS 101 HZ1 LYS 101 -33.768 5.258 2.795 897 HZ2 LYS 101 HZ2 LYS 101 -32.427 4.258 3.043 898 HZ3 LYS 101 HZ3 LYS 101 -33.962 3.580 2.849 Start of MODEL 3 1 H1 MET -14 HT1 MET -14 35.302 -26.134 28.552 2 H2 MET -14 HT2 MET -14 34.789 -26.152 26.943 3 H3 MET -14 HT3 MET -14 33.651 -26.137 28.193 4 HA MET -14 HA MET -14 35.586 -23.972 27.650 5 HB2 MET -14 HB2 MET -14 33.691 -22.685 26.800 6 HB3 MET -14 HB1 MET -14 33.924 -24.143 25.849 7 HG2 MET -14 HG2 MET -14 32.075 -25.213 26.979 8 HG3 MET -14 HG1 MET -14 31.872 -23.808 28.023 9 HE1 MET -14 HE1 MET -14 28.691 -23.557 25.795 10 HE2 MET -14 HE2 MET -14 29.331 -23.628 27.437 11 HE3 MET -14 HE3 MET -14 29.439 -25.040 26.386 12 H ALA -13 HN ALA -13 35.327 -22.147 28.963 13 HA ALA -13 HA ALA -13 33.576 -22.465 31.294 14 HB1 ALA -13 HB1 ALA -13 36.481 -21.666 31.457 15 HB2 ALA -13 HB2 ALA -13 35.840 -23.248 31.896 16 HB3 ALA -13 HB3 ALA -13 35.353 -21.817 32.805 17 H HIS -12 HN HIS -12 32.341 -20.736 31.477 18 HA HIS -12 HA HIS -12 31.495 -18.644 31.239 19 HB2 HIS -12 HB2 HIS -12 34.366 -18.096 31.883 20 HB3 HIS -12 HB1 HIS -12 33.301 -16.759 31.471 21 HD1 HIS -12 HD1 HIS -12 32.327 -15.692 33.450 22 HD2 HIS -12 HD2 HIS -12 33.033 -19.736 34.094 23 HE1 HIS -12 HE1 HIS -12 31.632 -16.127 35.825 24 HE2 HIS -12 HE2 HIS -12 32.198 -18.548 36.236 25 H HIS -11 HN HIS -11 31.962 -19.972 28.846 26 HA HIS -11 HA HIS -11 33.201 -18.171 26.977 27 HB2 HIS -11 HB2 HIS -11 33.147 -20.629 26.621 28 HB3 HIS -11 HB1 HIS -11 31.398 -20.547 26.455 29 HD1 HIS -11 HD1 HIS -11 34.545 -19.347 24.719 30 HD2 HIS -11 HD2 HIS -11 30.516 -20.000 23.928 31 HE1 HIS -11 HE1 HIS -11 34.282 -19.032 22.240 32 HE2 HIS -11 HE2 HIS -11 31.884 -19.643 21.767 33 H HIS -10 HN HIS -10 29.863 -19.346 27.362 34 HA HIS -10 HA HIS -10 27.840 -18.394 27.005 35 HB2 HIS -10 HB2 HIS -10 28.687 -17.022 28.914 36 HB3 HIS -10 HB1 HIS -10 29.257 -15.829 27.755 37 HD1 HIS -10 HD1 HIS -10 26.106 -17.223 29.247 38 HD2 HIS -10 HD2 HIS -10 27.297 -14.138 26.731 39 HE1 HIS -10 HE1 HIS -10 24.090 -15.748 28.983 40 HE2 HIS -10 HE2 HIS -10 24.804 -13.940 27.384 41 H HIS -9 HN HIS -9 28.151 -18.897 24.701 42 HA HIS -9 HA HIS -9 27.508 -16.548 23.165 43 HB2 HIS -9 HB2 HIS -9 30.001 -16.670 22.995 44 HB3 HIS -9 HB1 HIS -9 29.833 -18.264 22.269 45 HD1 HIS -9 HD1 HIS -9 29.399 -14.626 21.544 46 HD2 HIS -9 HD2 HIS -9 28.941 -18.274 19.604 47 HE1 HIS -9 HE1 HIS -9 29.093 -14.066 19.112 48 HE2 HIS -9 HE2 HIS -9 28.943 -16.293 17.941 49 H HIS -8 HN HIS -8 25.953 -17.035 21.753 50 HA HIS -8 HA HIS -8 25.721 -19.825 20.836 51 HB2 HIS -8 HB2 HIS -8 23.525 -17.958 21.739 52 HB3 HIS -8 HB1 HIS -8 23.210 -19.383 20.759 53 HD1 HIS -8 HD1 HIS -8 22.382 -18.713 23.850 54 HD2 HIS -8 HD2 HIS -8 25.197 -21.440 22.464 55 HE1 HIS -8 HE1 HIS -8 22.598 -20.445 25.662 56 HE2 HIS -8 HE2 HIS -8 24.195 -22.160 24.734 57 H HIS -7 HN HIS -7 24.298 -19.930 18.815 58 HA HIS -7 HA HIS -7 25.334 -17.994 16.931 59 HB2 HIS -7 HB2 HIS -7 23.759 -20.541 16.628 60 HB3 HIS -7 HB1 HIS -7 24.024 -19.460 15.266 61 HD1 HIS -7 HD1 HIS -7 26.125 -19.814 13.976 62 HD2 HIS -7 HD2 HIS -7 26.291 -21.520 17.772 63 HE1 HIS -7 HE1 HIS -7 28.296 -21.087 14.063 64 HE2 HIS -7 HE2 HIS -7 28.302 -22.220 16.310 65 H VAL -6 HN VAL -6 23.927 -16.446 18.360 66 HA VAL -6 HA VAL -6 21.155 -16.298 17.584 67 HB VAL -6 HB VAL -6 22.768 -14.191 18.974 68 HG11 VAL -6 HG11 VAL -6 20.649 -13.409 18.101 69 HG12 VAL -6 HG12 VAL -6 20.597 -13.478 19.862 70 HG13 VAL -6 HG13 VAL -6 19.812 -14.734 18.908 71 HG21 VAL -6 HG21 VAL -6 21.216 -16.458 20.202 72 HG22 VAL -6 HG22 VAL -6 21.953 -15.124 21.089 73 HG23 VAL -6 HG23 VAL -6 22.969 -16.272 20.217 74 H ASP -5 HN ASP -5 23.994 -14.222 17.162 75 HA ASP -5 HA ASP -5 22.796 -12.824 14.931 76 HB2 ASP -5 HB2 ASP -5 24.292 -11.677 16.566 77 HB3 ASP -5 HB1 ASP -5 25.622 -12.693 16.025 78 H ASP -4 HN ASP -4 22.581 -15.200 14.088 79 HA ASP -4 HA ASP -4 25.006 -15.938 12.587 80 HB2 ASP -4 HB2 ASP -4 24.120 -17.551 14.335 81 HB3 ASP -4 HB1 ASP -4 22.713 -17.771 13.302 82 H ASP -3 HN ASP -3 22.245 -14.336 12.147 83 HA ASP -3 HA ASP -3 21.422 -15.566 9.654 84 HB2 ASP -3 HB2 ASP -3 20.525 -13.049 11.069 85 HB3 ASP -3 HB1 ASP -3 19.916 -13.528 9.489 86 H ASP -2 HN ASP -2 21.874 -12.110 10.066 87 HA ASP -2 HA ASP -2 23.468 -12.023 7.642 88 HB2 ASP -2 HB2 ASP -2 22.591 -9.756 9.450 89 HB3 ASP -2 HB1 ASP -2 23.295 -9.591 7.846 90 H LYS -1 HN LYS -1 25.437 -12.943 8.218 91 HA LYS -1 HA LYS -1 26.813 -11.740 10.521 92 HB2 LYS -1 HB2 LYS -1 28.124 -13.752 10.681 93 HB3 LYS -1 HB1 LYS -1 26.424 -14.193 10.609 94 HG2 LYS -1 HG2 LYS -1 26.683 -14.730 8.227 95 HG3 LYS -1 HG1 LYS -1 28.395 -14.326 8.334 96 HD2 LYS -1 HD2 LYS -1 28.251 -16.682 8.510 97 HD3 LYS -1 HD1 LYS -1 28.572 -16.084 10.138 98 HE2 LYS -1 HE2 LYS -1 26.883 -17.798 10.235 99 HE3 LYS -1 HE1 LYS -1 26.157 -16.242 10.630 100 HZ1 LYS -1 HZ1 LYS -1 25.315 -16.114 8.355 101 HZ2 LYS -1 HZ2 LYS -1 24.745 -17.498 9.142 102 HZ3 LYS -1 HZ3 LYS -1 25.991 -17.625 8.006 103 H MET 0 HN MET 0 26.787 -11.737 7.162 104 HA MET 0 HA MET 0 29.550 -10.742 7.120 105 HB2 MET 0 HB2 MET 0 30.034 -11.910 5.064 106 HB3 MET 0 HB1 MET 0 29.519 -13.065 6.285 107 HG2 MET 0 HG2 MET 0 27.363 -13.267 5.280 108 HG3 MET 0 HG1 MET 0 27.712 -11.956 4.153 109 HE1 MET 0 HE1 MET 0 29.773 -16.086 4.038 110 HE2 MET 0 HE2 MET 0 28.552 -15.625 5.222 111 HE3 MET 0 HE3 MET 0 30.146 -14.874 5.263 112 H GLU 1 HN GLU 1 26.296 -10.422 6.069 113 HA GLU 1 HA GLU 1 26.955 -7.944 4.716 114 HB2 GLU 1 HB2 GLU 1 27.117 -9.800 3.001 115 HB3 GLU 1 HB1 GLU 1 25.397 -10.070 3.239 116 HG2 GLU 1 HG2 GLU 1 25.628 -8.733 1.307 117 HG3 GLU 1 HG1 GLU 1 25.028 -7.680 2.588 118 H ASP 2 HN ASP 2 25.752 -7.187 6.587 119 HA ASP 2 HA ASP 2 22.945 -7.786 6.776 120 HB2 ASP 2 HB2 ASP 2 22.853 -6.111 8.513 121 HB3 ASP 2 HB1 ASP 2 24.303 -7.072 8.752 122 H THR 3 HN THR 3 21.239 -6.251 6.391 123 HA THR 3 HA THR 3 20.034 -5.227 4.760 124 HB THR 3 HB THR 3 20.776 -2.890 4.195 125 HG1 THR 3 HG1 THR 3 23.108 -3.821 5.239 126 HG21 THR 3 HG21 THR 3 20.733 -3.633 7.118 127 HG22 THR 3 HG22 THR 3 19.327 -3.331 6.099 128 HG23 THR 3 HG23 THR 3 20.449 -2.021 6.462 129 H ALA 4 HN ALA 4 21.324 -7.195 3.591 130 HA ALA 4 HA ALA 4 23.138 -6.559 1.540 131 HB1 ALA 4 HB1 ALA 4 22.776 -8.839 2.384 132 HB2 ALA 4 HB2 ALA 4 22.620 -8.748 0.630 133 HB3 ALA 4 HB3 ALA 4 21.178 -8.847 1.639 134 H ASN 5 HN ASN 5 19.609 -6.827 1.544 135 HA ASN 5 HA ASN 5 19.599 -5.380 -1.014 136 HB2 ASN 5 HB2 ASN 5 17.765 -7.598 -0.106 137 HB3 ASN 5 HB1 ASN 5 17.350 -6.506 -1.422 138 HD21 ASN 5 HD21 ASN 5 19.283 -9.169 -0.418 139 HD22 ASN 5 HD22 ASN 5 19.954 -9.542 -1.968 140 HA PRO 6 HA PRO 6 17.229 -2.393 1.273 141 HB2 PRO 6 HB2 PRO 6 16.240 -1.377 -1.281 142 HB3 PRO 6 HB1 PRO 6 17.320 -0.602 -0.120 143 HG2 PRO 6 HG2 PRO 6 18.160 -1.467 -2.543 144 HG3 PRO 6 HG1 PRO 6 19.210 -1.444 -1.115 145 HD2 PRO 6 HD2 PRO 6 17.753 -3.746 -2.363 146 HD3 PRO 6 HD1 PRO 6 19.393 -3.680 -1.686 147 H ASN 7 HN ASN 7 15.677 -3.815 2.145 148 HA ASN 7 HA ASN 7 13.442 -4.727 0.615 149 HB2 ASN 7 HB2 ASN 7 14.007 -4.687 3.575 150 HB3 ASN 7 HB1 ASN 7 12.481 -5.267 2.918 151 HD21 ASN 7 HD21 ASN 7 15.911 -5.849 3.142 152 HD22 ASN 7 HD22 ASN 7 15.856 -7.500 2.632 153 H GLU 8 HN GLU 8 14.184 -1.853 2.363 154 HA GLU 8 HA GLU 8 11.484 -0.992 2.721 155 HB2 GLU 8 HB2 GLU 8 13.248 -0.090 4.141 156 HB3 GLU 8 HB1 GLU 8 14.067 0.580 2.736 157 HG2 GLU 8 HG2 GLU 8 12.165 2.054 2.326 158 HG3 GLU 8 HG1 GLU 8 11.344 1.385 3.734 159 H MET 9 HN MET 9 10.195 -0.032 1.348 160 HA MET 9 HA MET 9 11.202 0.569 -1.335 161 HB2 MET 9 HB2 MET 9 8.752 0.541 -1.938 162 HB3 MET 9 HB1 MET 9 9.400 -0.996 -1.387 163 HG2 MET 9 HG2 MET 9 8.002 0.879 0.484 164 HG3 MET 9 HG1 MET 9 7.109 -0.265 -0.520 165 HE1 MET 9 HE1 MET 9 9.133 -2.777 -0.543 166 HE2 MET 9 HE2 MET 9 7.388 -2.912 -0.336 167 HE3 MET 9 HE3 MET 9 8.477 -3.708 0.802 168 H THR 10 HN THR 10 10.368 2.503 -2.415 169 HA THR 10 HA THR 10 10.337 4.768 -0.655 170 HB THR 10 HB THR 10 9.918 6.049 -2.825 171 HG1 THR 10 HG1 THR 10 10.501 4.657 -4.708 172 HG21 THR 10 HG21 THR 10 12.217 5.723 -3.636 173 HG22 THR 10 HG22 THR 10 12.345 4.259 -2.659 174 HG23 THR 10 HG23 THR 10 12.153 5.828 -1.877 175 H LYS 11 HN LYS 11 8.627 6.457 -0.812 176 HA LYS 11 HA LYS 11 6.160 5.442 -0.048 177 HB2 LYS 11 HB2 LYS 11 5.312 7.741 -0.273 178 HB3 LYS 11 HB1 LYS 11 6.869 7.689 0.541 179 HG2 LYS 11 HG2 LYS 11 7.922 8.262 -1.665 180 HG3 LYS 11 HG1 LYS 11 6.294 8.546 -2.283 181 HD2 LYS 11 HD2 LYS 11 7.652 9.985 -0.005 182 HD3 LYS 11 HD1 LYS 11 7.273 10.643 -1.596 183 HE2 LYS 11 HE2 LYS 11 4.868 10.316 -1.116 184 HE3 LYS 11 HE1 LYS 11 5.296 9.748 0.497 185 HZ1 LYS 11 HZ1 LYS 11 6.252 11.889 0.988 186 HZ2 LYS 11 HZ2 LYS 11 4.652 12.091 0.472 187 HZ3 LYS 11 HZ3 LYS 11 5.930 12.440 -0.579 188 H ASP 12 HN ASP 12 7.227 6.540 -3.237 189 HA ASP 12 HA ASP 12 4.637 6.398 -4.425 190 HB2 ASP 12 HB2 ASP 12 6.422 7.837 -5.338 191 HB3 ASP 12 HB1 ASP 12 7.367 6.408 -5.733 192 H ALA 13 HN ALA 13 7.469 4.282 -4.399 193 HA ALA 13 HA ALA 13 6.451 2.342 -6.172 194 HB1 ALA 13 HB1 ALA 13 8.508 2.037 -3.996 195 HB2 ALA 13 HB2 ALA 13 8.826 2.565 -5.646 196 HB3 ALA 13 HB3 ALA 13 8.245 0.927 -5.341 197 H TRP 14 HN TRP 14 6.314 2.717 -2.674 198 HA TRP 14 HA TRP 14 5.090 0.255 -2.076 199 HB2 TRP 14 HB2 TRP 14 6.074 1.726 -0.359 200 HB3 TRP 14 HB1 TRP 14 4.806 2.912 -0.649 201 HD1 TRP 14 HD1 TRP 14 5.284 -0.637 0.777 202 HE1 TRP 14 HE1 TRP 14 3.345 -1.128 2.391 203 HE3 TRP 14 HE3 TRP 14 2.482 3.565 -0.032 204 HZ2 TRP 14 HZ2 TRP 14 0.945 0.116 3.224 205 HZ3 TRP 14 HZ3 TRP 14 0.382 3.839 1.209 206 HH2 TRP 14 HH2 TRP 14 -0.371 2.149 2.808 207 H LEU 15 HN LEU 15 3.650 3.487 -2.488 208 HA LEU 15 HA LEU 15 0.969 2.788 -2.386 209 HB2 LEU 15 HB2 LEU 15 2.381 4.914 -3.993 210 HB3 LEU 15 HB1 LEU 15 0.638 4.806 -3.877 211 HG LEU 15 HG LEU 15 2.479 5.192 -1.520 212 HD11 LEU 15 HD11 LEU 15 2.606 7.112 -2.976 213 HD12 LEU 15 HD12 LEU 15 1.679 7.510 -1.530 214 HD13 LEU 15 HD13 LEU 15 0.848 7.203 -3.054 215 HD21 LEU 15 HD21 LEU 15 -0.520 5.361 -1.798 216 HD22 LEU 15 HD22 LEU 15 0.392 5.831 -0.365 217 HD23 LEU 15 HD23 LEU 15 0.391 4.150 -0.897 218 H ASN 16 HN ASN 16 3.166 2.847 -5.135 219 HA ASN 16 HA ASN 16 1.366 2.255 -7.179 220 HB2 ASN 16 HB2 ASN 16 3.651 3.041 -7.538 221 HB3 ASN 16 HB1 ASN 16 4.293 1.527 -6.908 222 HD21 ASN 16 HD21 ASN 16 2.804 3.111 -9.597 223 HD22 ASN 16 HD22 ASN 16 3.010 1.826 -10.735 224 H SER 17 HN SER 17 3.078 0.140 -4.959 225 HA SER 17 HA SER 17 2.173 -2.245 -6.355 226 HB2 SER 17 HB2 SER 17 3.842 -1.971 -3.844 227 HB3 SER 17 HB1 SER 17 3.635 -3.433 -4.813 228 HG SER 17 HG SER 17 5.132 -1.128 -5.329 229 H MET 18 HN MET 18 1.217 -0.290 -3.723 230 HA MET 18 HA MET 18 -0.068 -2.453 -2.259 231 HB2 MET 18 HB2 MET 18 1.231 -0.775 -1.031 232 HB3 MET 18 HB1 MET 18 0.176 0.493 -1.636 233 HG2 MET 18 HG2 MET 18 -0.461 0.021 0.587 234 HG3 MET 18 HG1 MET 18 -1.717 -0.618 -0.470 235 HE1 MET 18 HE1 MET 18 -1.733 -3.181 2.490 236 HE2 MET 18 HE2 MET 18 -2.712 -2.105 1.493 237 HE3 MET 18 HE3 MET 18 -1.493 -1.436 2.580 238 H THR 19 HN THR 19 -0.926 0.308 -4.241 239 HA THR 19 HA THR 19 -3.511 0.771 -3.417 240 HB THR 19 HB THR 19 -3.849 1.366 -5.979 241 HG1 THR 19 HG1 THR 19 -1.038 1.632 -5.784 242 HG21 THR 19 HG21 THR 19 -2.005 2.881 -4.130 243 HG22 THR 19 HG22 THR 19 -3.767 2.950 -4.108 244 HG23 THR 19 HG23 THR 19 -2.879 3.554 -5.507 245 HA PRO 20 HA PRO 20 -5.330 -2.378 -6.470 246 HB2 PRO 20 HB2 PRO 20 -3.827 -4.177 -7.739 247 HB3 PRO 20 HB1 PRO 20 -3.953 -2.503 -8.303 248 HG2 PRO 20 HG2 PRO 20 -1.775 -3.788 -6.684 249 HG3 PRO 20 HG1 PRO 20 -1.634 -2.724 -8.097 250 HD2 PRO 20 HD2 PRO 20 -1.387 -1.853 -5.520 251 HD3 PRO 20 HD1 PRO 20 -1.951 -0.828 -6.856 252 H LEU 21 HN LEU 21 -3.177 -3.137 -4.003 253 HA LEU 21 HA LEU 21 -4.159 -5.850 -3.603 254 HB2 LEU 21 HB2 LEU 21 -2.368 -4.120 -1.889 255 HB3 LEU 21 HB1 LEU 21 -2.770 -5.792 -1.551 256 HG LEU 21 HG LEU 21 -1.212 -4.813 -3.943 257 HD11 LEU 21 HD11 LEU 21 0.021 -4.620 -1.837 258 HD12 LEU 21 HD12 LEU 21 0.692 -5.881 -2.872 259 HD13 LEU 21 HD13 LEU 21 -0.311 -6.317 -1.489 260 HD21 LEU 21 HD21 LEU 21 -2.487 -6.792 -4.494 261 HD22 LEU 21 HD22 LEU 21 -1.920 -7.600 -3.032 262 HD23 LEU 21 HD23 LEU 21 -0.782 -7.212 -4.323 263 H LEU 22 HN LEU 22 -4.921 -2.647 -2.772 264 HA LEU 22 HA LEU 22 -6.076 -3.051 -0.240 265 HB2 LEU 22 HB2 LEU 22 -6.495 -0.877 -2.279 266 HB3 LEU 22 HB1 LEU 22 -7.194 -0.848 -0.671 267 HG LEU 22 HG LEU 22 -4.223 -1.011 -1.174 268 HD11 LEU 22 HD11 LEU 22 -5.139 1.063 -2.118 269 HD12 LEU 22 HD12 LEU 22 -4.122 1.361 -0.711 270 HD13 LEU 22 HD13 LEU 22 -5.877 1.433 -0.560 271 HD21 LEU 22 HD21 LEU 22 -4.935 -1.802 1.012 272 HD22 LEU 22 HD22 LEU 22 -5.848 -0.316 1.273 273 HD23 LEU 22 HD23 LEU 22 -4.088 -0.263 1.159 274 HA PRO 23 HA PRO 23 -10.321 -3.234 -2.841 275 HB2 PRO 23 HB2 PRO 23 -9.074 -4.896 -4.991 276 HB3 PRO 23 HB1 PRO 23 -10.458 -3.803 -5.075 277 HG2 PRO 23 HG2 PRO 23 -8.143 -2.999 -6.022 278 HG3 PRO 23 HG1 PRO 23 -9.125 -1.902 -5.048 279 HD2 PRO 23 HD2 PRO 23 -6.691 -3.435 -4.263 280 HD3 PRO 23 HD1 PRO 23 -7.184 -1.788 -3.830 281 H ASP 24 HN ASP 24 -7.902 -5.850 -3.094 282 HA ASP 24 HA ASP 24 -9.706 -7.951 -2.637 283 HB2 ASP 24 HB2 ASP 24 -7.403 -8.261 -3.524 284 HB3 ASP 24 HB1 ASP 24 -6.765 -7.890 -1.924 285 H LEU 25 HN LEU 25 -7.795 -5.983 -0.423 286 HA LEU 25 HA LEU 25 -8.476 -7.466 1.914 287 HB2 LEU 25 HB2 LEU 25 -7.506 -4.613 1.676 288 HB3 LEU 25 HB1 LEU 25 -7.486 -5.592 3.127 289 HG LEU 25 HG LEU 25 -5.877 -6.179 0.641 290 HD11 LEU 25 HD11 LEU 25 -3.951 -5.465 1.986 291 HD12 LEU 25 HD12 LEU 25 -5.047 -4.973 3.278 292 HD13 LEU 25 HD13 LEU 25 -5.095 -4.150 1.718 293 HD21 LEU 25 HD21 LEU 25 -6.429 -8.177 1.918 294 HD22 LEU 25 HD22 LEU 25 -5.823 -7.419 3.389 295 HD23 LEU 25 HD23 LEU 25 -4.715 -7.790 2.068 296 H ILE 26 HN ILE 26 -9.623 -4.469 0.449 297 HA ILE 26 HA ILE 26 -11.411 -3.733 2.508 298 HB ILE 26 HB ILE 26 -11.443 -2.980 -0.420 299 HG12 ILE 26 HG12 ILE 26 -9.347 -2.392 0.667 300 HG13 ILE 26 HG11 ILE 26 -10.286 -0.940 0.343 301 HG21 ILE 26 HG21 ILE 26 -12.753 -1.039 0.272 302 HG22 ILE 26 HG22 ILE 26 -12.790 -1.651 1.926 303 HG23 ILE 26 HG23 ILE 26 -13.593 -2.547 0.637 304 HD11 ILE 26 HD11 ILE 26 -11.012 -0.905 2.683 305 HD12 ILE 26 HD12 ILE 26 -9.260 -0.823 2.521 306 HD13 ILE 26 HD13 ILE 26 -10.027 -2.334 2.995 307 H CYS 27 HN CYS 27 -11.970 -5.296 -0.631 308 HA CYS 27 HA CYS 27 -14.765 -5.468 -0.348 309 HB2 CYS 27 HB2 CYS 27 -12.934 -7.163 -2.056 310 HB3 CYS 27 HB1 CYS 27 -14.673 -6.974 -2.267 311 H LYS 28 HN LYS 28 -12.171 -7.781 0.395 312 HA LYS 28 HA LYS 28 -13.935 -9.859 1.179 313 HB2 LYS 28 HB2 LYS 28 -11.046 -9.328 1.862 314 HB3 LYS 28 HB1 LYS 28 -11.919 -10.744 2.431 315 HG2 LYS 28 HG2 LYS 28 -12.369 -11.340 0.059 316 HG3 LYS 28 HG1 LYS 28 -11.325 -9.999 -0.421 317 HD2 LYS 28 HD2 LYS 28 -9.452 -11.003 0.742 318 HD3 LYS 28 HD1 LYS 28 -10.483 -12.312 1.320 319 HE2 LYS 28 HE2 LYS 28 -9.881 -11.715 -1.572 320 HE3 LYS 28 HE1 LYS 28 -9.104 -12.969 -0.609 321 HZ1 LYS 28 HZ1 LYS 28 -10.906 -13.837 -1.986 322 HZ2 LYS 28 HZ2 LYS 28 -12.009 -12.830 -1.195 323 HZ3 LYS 28 HZ3 LYS 28 -11.224 -14.055 -0.341 324 H GLY 29 HN GLY 29 -12.556 -7.092 2.825 325 HA2 GLY 29 HA2 GLY 29 -13.050 -7.792 5.475 326 HA3 GLY 29 HA1 GLY 29 -13.054 -6.147 4.855 327 H PHE 30 HN PHE 30 -15.238 -6.430 3.064 328 HA PHE 30 HA PHE 30 -17.396 -6.066 4.905 329 HB2 PHE 30 HB2 PHE 30 -17.410 -6.167 1.882 330 HB3 PHE 30 HB1 PHE 30 -18.761 -5.653 2.884 331 HD1 PHE 30 HD1 PHE 30 -17.710 -3.885 4.815 332 HD2 PHE 30 HD2 PHE 30 -16.493 -4.388 0.772 333 HE1 PHE 30 HE1 PHE 30 -16.869 -1.575 4.787 334 HE2 PHE 30 HE2 PHE 30 -15.645 -2.079 0.739 335 HZ PHE 30 HZ PHE 30 -15.832 -0.671 2.747 336 H ILE 31 HN ILE 31 -16.293 -8.648 2.850 337 HA ILE 31 HA ILE 31 -18.755 -10.133 2.996 338 HB ILE 31 HB ILE 31 -16.020 -11.043 2.076 339 HG12 ILE 31 HG12 ILE 31 -18.384 -10.064 0.457 340 HG13 ILE 31 HG11 ILE 31 -16.934 -9.123 0.790 341 HG21 ILE 31 HG21 ILE 31 -17.443 -12.917 2.651 342 HG22 ILE 31 HG22 ILE 31 -17.266 -12.814 0.898 343 HG23 ILE 31 HG23 ILE 31 -18.752 -12.257 1.671 344 HD11 ILE 31 HD11 ILE 31 -16.863 -10.065 -1.435 345 HD12 ILE 31 HD12 ILE 31 -17.065 -11.689 -0.778 346 HD13 ILE 31 HD13 ILE 31 -15.599 -10.771 -0.430 347 H GLN 32 HN GLN 32 -15.583 -10.253 4.505 348 HA GLN 32 HA GLN 32 -16.046 -12.678 5.929 349 HB2 GLN 32 HB2 GLN 32 -13.949 -10.543 6.307 350 HB3 GLN 32 HB1 GLN 32 -13.922 -12.134 7.056 351 HG2 GLN 32 HG2 GLN 32 -13.762 -13.185 4.890 352 HG3 GLN 32 HG1 GLN 32 -13.894 -11.623 4.091 353 HE21 GLN 32 HE21 GLN 32 -11.785 -13.597 3.913 354 HE22 GLN 32 HE22 GLN 32 -10.331 -12.795 4.399 355 H ASP 33 HN ASP 33 -16.719 -9.344 6.567 356 HA ASP 33 HA ASP 33 -17.203 -9.870 9.400 357 HB2 ASP 33 HB2 ASP 33 -16.229 -7.651 8.507 358 HB3 ASP 33 HB1 ASP 33 -17.863 -7.302 7.966 359 HA PRO 34 HA PRO 34 -21.326 -11.284 8.404 360 HB2 PRO 34 HB2 PRO 34 -21.714 -10.745 11.292 361 HB3 PRO 34 HB1 PRO 34 -22.028 -12.217 10.369 362 HG2 PRO 34 HG2 PRO 34 -19.930 -11.995 12.022 363 HG3 PRO 34 HG1 PRO 34 -19.850 -12.935 10.522 364 HD2 PRO 34 HD2 PRO 34 -18.687 -10.280 11.160 365 HD3 PRO 34 HD1 PRO 34 -18.096 -11.542 10.065 366 H ASP 35 HN ASP 35 -20.658 -8.412 10.361 367 HA ASP 35 HA ASP 35 -23.261 -7.300 10.281 368 HB2 ASP 35 HB2 ASP 35 -20.539 -5.975 10.539 369 HB3 ASP 35 HB1 ASP 35 -22.070 -5.104 10.659 370 H LEU 36 HN LEU 36 -20.389 -6.673 8.369 371 HA LEU 36 HA LEU 36 -21.615 -4.782 6.687 372 HB2 LEU 36 HB2 LEU 36 -19.046 -6.348 6.554 373 HB3 LEU 36 HB1 LEU 36 -19.446 -5.043 5.461 374 HG LEU 36 HG LEU 36 -17.886 -4.572 7.417 375 HD11 LEU 36 HD11 LEU 36 -20.282 -2.818 6.985 376 HD12 LEU 36 HD12 LEU 36 -18.798 -2.803 6.032 377 HD13 LEU 36 HD13 LEU 36 -18.767 -2.294 7.721 378 HD21 LEU 36 HD21 LEU 36 -18.949 -5.527 9.256 379 HD22 LEU 36 HD22 LEU 36 -20.422 -4.597 8.959 380 HD23 LEU 36 HD23 LEU 36 -18.952 -3.775 9.484 381 H LYS 37 HN LYS 37 -21.106 -8.223 6.561 382 HA LYS 37 HA LYS 37 -21.485 -8.653 3.819 383 HB2 LYS 37 HB2 LYS 37 -20.610 -10.362 5.367 384 HB3 LYS 37 HB1 LYS 37 -22.181 -10.462 6.146 385 HG2 LYS 37 HG2 LYS 37 -21.897 -12.335 4.670 386 HG3 LYS 37 HG1 LYS 37 -23.146 -11.270 4.026 387 HD2 LYS 37 HD2 LYS 37 -21.583 -10.339 2.431 388 HD3 LYS 37 HD1 LYS 37 -20.269 -11.290 3.124 389 HE2 LYS 37 HE2 LYS 37 -21.089 -12.317 1.076 390 HE3 LYS 37 HE1 LYS 37 -21.408 -13.350 2.467 391 HZ1 LYS 37 HZ1 LYS 37 -23.324 -13.300 1.067 392 HZ2 LYS 37 HZ2 LYS 37 -23.360 -11.613 1.066 393 HZ3 LYS 37 HZ3 LYS 37 -23.691 -12.466 2.489 394 H LYS 38 HN LYS 38 -23.681 -7.953 6.384 395 HA LYS 38 HA LYS 38 -26.107 -8.769 5.238 396 HB2 LYS 38 HB2 LYS 38 -25.618 -6.342 6.970 397 HB3 LYS 38 HB1 LYS 38 -27.153 -7.174 6.751 398 HG2 LYS 38 HG2 LYS 38 -26.032 -9.206 7.758 399 HG3 LYS 38 HG1 LYS 38 -24.694 -8.130 8.181 400 HD2 LYS 38 HD2 LYS 38 -27.564 -7.814 9.061 401 HD3 LYS 38 HD1 LYS 38 -26.241 -8.420 10.056 402 HE2 LYS 38 HE2 LYS 38 -25.084 -6.238 9.730 403 HE3 LYS 38 HE1 LYS 38 -26.515 -5.654 8.884 404 HZ1 LYS 38 HZ1 LYS 38 -27.806 -6.034 10.901 405 HZ2 LYS 38 HZ2 LYS 38 -26.528 -4.963 11.188 406 HZ3 LYS 38 HZ3 LYS 38 -26.418 -6.568 11.706 407 H ARG 39 HN ARG 39 -24.335 -5.705 5.048 408 HA ARG 39 HA ARG 39 -26.284 -4.433 3.392 409 HB2 ARG 39 HB2 ARG 39 -24.765 -3.203 4.929 410 HB3 ARG 39 HB1 ARG 39 -23.406 -3.655 3.912 411 HG2 ARG 39 HG2 ARG 39 -24.138 -1.369 3.501 412 HG3 ARG 39 HG1 ARG 39 -24.329 -2.380 2.069 413 HD2 ARG 39 HD2 ARG 39 -26.267 -0.936 2.385 414 HD3 ARG 39 HD1 ARG 39 -26.714 -2.631 2.567 415 HE ARG 39 HE ARG 39 -26.069 -1.387 5.065 416 HH11 ARG 39 HH11 ARG 39 -28.615 -1.808 2.692 417 HH12 ARG 39 HH12 ARG 39 -29.892 -1.530 3.831 418 HH21 ARG 39 HH21 ARG 39 -27.742 -1.006 6.554 419 HH22 ARG 39 HH22 ARG 39 -29.397 -1.070 6.033 420 H PHE 40 HN PHE 40 -23.274 -6.121 2.901 421 HA PHE 40 HA PHE 40 -22.803 -5.642 0.200 422 HB2 PHE 40 HB2 PHE 40 -21.350 -6.839 1.911 423 HB3 PHE 40 HB1 PHE 40 -22.341 -8.262 1.631 424 HD1 PHE 40 HD1 PHE 40 -20.451 -5.736 -0.360 425 HD2 PHE 40 HD2 PHE 40 -21.530 -9.817 0.166 426 HE1 PHE 40 HE1 PHE 40 -18.992 -6.356 -2.241 427 HE2 PHE 40 HE2 PHE 40 -20.069 -10.447 -1.710 428 HZ PHE 40 HZ PHE 40 -18.795 -8.719 -2.911 429 H ASP 41 HN ASP 41 -24.890 -8.019 1.776 430 HA ASP 41 HA ASP 41 -25.745 -9.254 -0.661 431 HB2 ASP 41 HB2 ASP 41 -25.808 -10.527 1.392 432 HB3 ASP 41 HB1 ASP 41 -26.859 -9.335 2.144 433 H GLU 42 HN GLU 42 -27.034 -6.741 1.463 434 HA GLU 42 HA GLU 42 -29.569 -6.447 0.324 435 HB2 GLU 42 HB2 GLU 42 -27.784 -4.384 1.619 436 HB3 GLU 42 HB1 GLU 42 -29.471 -4.110 1.213 437 HG2 GLU 42 HG2 GLU 42 -28.497 -6.255 3.082 438 HG3 GLU 42 HG1 GLU 42 -29.091 -4.674 3.587 439 H ILE 43 HN ILE 43 -26.454 -5.181 -0.696 440 HA ILE 43 HA ILE 43 -27.716 -3.579 -2.788 441 HB ILE 43 HB ILE 43 -24.750 -3.882 -2.290 442 HG12 ILE 43 HG12 ILE 43 -25.831 -3.146 -0.206 443 HG13 ILE 43 HG11 ILE 43 -24.867 -1.857 -0.915 444 HG21 ILE 43 HG21 ILE 43 -26.360 -1.687 -3.588 445 HG22 ILE 43 HG22 ILE 43 -25.360 -2.875 -4.424 446 HG23 ILE 43 HG23 ILE 43 -24.610 -1.685 -3.359 447 HD11 ILE 43 HD11 ILE 43 -26.910 -0.842 -1.810 448 HD12 ILE 43 HD12 ILE 43 -26.950 -0.996 -0.053 449 HD13 ILE 43 HD13 ILE 43 -27.860 -2.124 -1.059 450 H LYS 44 HN LYS 44 -26.983 -6.706 -2.401 451 HA LYS 44 HA LYS 44 -26.471 -8.504 -3.692 452 HB2 LYS 44 HB2 LYS 44 -27.570 -6.684 -5.837 453 HB3 LYS 44 HB1 LYS 44 -27.210 -8.383 -6.085 454 HG2 LYS 44 HG2 LYS 44 -29.219 -7.267 -4.144 455 HG3 LYS 44 HG1 LYS 44 -29.579 -8.035 -5.689 456 HD2 LYS 44 HD2 LYS 44 -28.236 -9.356 -3.326 457 HD3 LYS 44 HD1 LYS 44 -29.917 -9.573 -3.810 458 HE2 LYS 44 HE2 LYS 44 -27.506 -10.296 -5.475 459 HE3 LYS 44 HE1 LYS 44 -28.492 -11.429 -4.555 460 HZ1 LYS 44 HZ1 LYS 44 -30.399 -10.779 -5.933 461 HZ2 LYS 44 HZ2 LYS 44 -29.149 -11.455 -6.848 462 HZ3 LYS 44 HZ3 LYS 44 -29.391 -9.783 -6.858 463 H MET 45 HN MET 45 -24.333 -6.963 -3.078 464 HA MET 45 HA MET 45 -22.850 -6.280 -5.465 465 HB2 MET 45 HB2 MET 45 -22.874 -4.928 -3.320 466 HB3 MET 45 HB1 MET 45 -21.937 -6.219 -2.593 467 HG2 MET 45 HG2 MET 45 -20.117 -5.840 -4.105 468 HG3 MET 45 HG1 MET 45 -21.062 -4.666 -5.010 469 HE1 MET 45 HE1 MET 45 -21.409 -1.714 -2.512 470 HE2 MET 45 HE2 MET 45 -22.545 -3.052 -2.669 471 HE3 MET 45 HE3 MET 45 -21.812 -2.344 -4.109 472 H THR 46 HN THR 46 -20.884 -7.245 -6.085 473 HA THR 46 HA THR 46 -20.287 -9.822 -4.795 474 HB THR 46 HB THR 46 -19.377 -10.565 -6.994 475 HG1 THR 46 HG1 THR 46 -20.390 -9.158 -8.786 476 HG21 THR 46 HG21 THR 46 -21.646 -11.202 -6.319 477 HG22 THR 46 HG22 THR 46 -21.541 -10.971 -8.065 478 HG23 THR 46 HG23 THR 46 -22.279 -9.729 -7.053 479 H TYR 47 HN TYR 47 -17.989 -10.478 -4.943 480 HA TYR 47 HA TYR 47 -16.177 -8.537 -4.116 481 HB2 TYR 47 HB2 TYR 47 -15.735 -10.876 -3.711 482 HB3 TYR 47 HB1 TYR 47 -15.714 -11.222 -5.435 483 HD1 TYR 47 HD1 TYR 47 -13.754 -10.855 -6.746 484 HD2 TYR 47 HD2 TYR 47 -13.837 -9.664 -2.662 485 HE1 TYR 47 HE1 TYR 47 -11.321 -10.542 -6.796 486 HE2 TYR 47 HE2 TYR 47 -11.397 -9.344 -2.702 487 HH TYR 47 HH TYR 47 -9.443 -10.107 -3.980 488 H GLU 48 HN GLU 48 -16.689 -9.931 -7.320 489 HA GLU 48 HA GLU 48 -14.699 -8.608 -8.734 490 HB2 GLU 48 HB2 GLU 48 -17.441 -9.410 -9.723 491 HB3 GLU 48 HB1 GLU 48 -16.043 -9.067 -10.731 492 HG2 GLU 48 HG2 GLU 48 -14.871 -10.972 -9.700 493 HG3 GLU 48 HG1 GLU 48 -16.331 -11.335 -8.779 494 H GLN 49 HN GLN 49 -18.049 -7.633 -8.127 495 HA GLN 49 HA GLN 49 -18.006 -5.243 -9.595 496 HB2 GLN 49 HB2 GLN 49 -20.094 -6.207 -8.855 497 HB3 GLN 49 HB1 GLN 49 -19.618 -6.046 -7.171 498 HG2 GLN 49 HG2 GLN 49 -21.207 -4.332 -7.736 499 HG3 GLN 49 HG1 GLN 49 -19.632 -3.609 -7.409 500 HE21 GLN 49 HE21 GLN 49 -20.395 -5.272 -10.383 501 HE22 GLN 49 HE22 GLN 49 -20.369 -3.873 -11.394 502 H CYS 50 HN CYS 50 -17.225 -5.930 -6.235 503 HA CYS 50 HA CYS 50 -16.909 -3.238 -5.464 504 HB2 CYS 50 HB2 CYS 50 -17.389 -4.911 -3.811 505 HB3 CYS 50 HB1 CYS 50 -15.929 -5.805 -4.222 506 H VAL 51 HN VAL 51 -14.510 -5.711 -6.464 507 HA VAL 51 HA VAL 51 -12.293 -4.049 -5.839 508 HB VAL 51 HB VAL 51 -10.946 -5.625 -7.265 509 HG11 VAL 51 HG11 VAL 51 -11.083 -5.925 -4.895 510 HG12 VAL 51 HG12 VAL 51 -11.192 -7.506 -5.677 511 HG13 VAL 51 HG13 VAL 51 -12.647 -6.733 -5.042 512 HG21 VAL 51 HG21 VAL 51 -13.582 -7.075 -7.473 513 HG22 VAL 51 HG22 VAL 51 -12.011 -7.718 -7.954 514 HG23 VAL 51 HG23 VAL 51 -12.693 -6.330 -8.801 515 H THR 52 HN THR 52 -14.424 -3.947 -8.507 516 HA THR 52 HA THR 52 -12.433 -2.617 -10.167 517 HB THR 52 HB THR 52 -14.122 -4.122 -11.236 518 HG1 THR 52 HG1 THR 52 -13.347 -1.663 -11.998 519 HG21 THR 52 HG21 THR 52 -16.070 -3.539 -9.879 520 HG22 THR 52 HG22 THR 52 -16.392 -3.305 -11.597 521 HG23 THR 52 HG23 THR 52 -16.060 -1.915 -10.564 522 H LEU 53 HN LEU 53 -14.549 -1.866 -7.696 523 HA LEU 53 HA LEU 53 -14.940 0.896 -8.580 524 HB2 LEU 53 HB2 LEU 53 -16.021 -0.464 -6.129 525 HB3 LEU 53 HB1 LEU 53 -16.495 1.101 -6.759 526 HG LEU 53 HG LEU 53 -17.024 -1.603 -7.967 527 HD11 LEU 53 HD11 LEU 53 -18.806 0.529 -6.826 528 HD12 LEU 53 HD12 LEU 53 -18.566 -1.117 -6.234 529 HD13 LEU 53 HD13 LEU 53 -19.393 -0.843 -7.766 530 HD21 LEU 53 HD21 LEU 53 -18.213 -0.421 -9.757 531 HD22 LEU 53 HD22 LEU 53 -16.474 -0.128 -9.774 532 HD23 LEU 53 HD23 LEU 53 -17.572 1.107 -9.147 533 H ILE 54 HN ILE 54 -13.428 -1.045 -6.090 534 HA ILE 54 HA ILE 54 -12.724 0.889 -4.274 535 HB ILE 54 HB ILE 54 -11.109 -1.551 -5.027 536 HG12 ILE 54 HG12 ILE 54 -13.363 -2.132 -4.300 537 HG13 ILE 54 HG11 ILE 54 -12.205 -2.557 -3.045 538 HG21 ILE 54 HG21 ILE 54 -10.944 0.276 -2.641 539 HG22 ILE 54 HG22 ILE 54 -9.683 -0.067 -3.824 540 HG23 ILE 54 HG23 ILE 54 -10.204 -1.322 -2.703 541 HD11 ILE 54 HD11 ILE 54 -14.163 -1.581 -2.061 542 HD12 ILE 54 HD12 ILE 54 -14.000 -0.150 -3.078 543 HD13 ILE 54 HD13 ILE 54 -12.788 -0.496 -1.845 544 HA PRO 55 HA PRO 55 -8.588 1.605 -7.041 545 HB2 PRO 55 HB2 PRO 55 -10.197 1.588 -9.559 546 HB3 PRO 55 HB1 PRO 55 -8.493 1.191 -9.311 547 HG2 PRO 55 HG2 PRO 55 -10.272 -0.747 -9.620 548 HG3 PRO 55 HG1 PRO 55 -8.977 -0.901 -8.415 549 HD2 PRO 55 HD2 PRO 55 -11.868 -0.289 -8.030 550 HD3 PRO 55 HD1 PRO 55 -10.772 -1.238 -7.009 551 H GLU 56 HN GLU 56 -11.864 2.766 -7.285 552 HA GLU 56 HA GLU 56 -11.182 5.399 -8.197 553 HB2 GLU 56 HB2 GLU 56 -13.654 4.437 -6.740 554 HB3 GLU 56 HB1 GLU 56 -13.477 5.995 -7.530 555 HG2 GLU 56 HG2 GLU 56 -13.530 3.288 -8.832 556 HG3 GLU 56 HG1 GLU 56 -14.742 4.563 -8.947 557 H SER 57 HN SER 57 -11.461 3.776 -5.133 558 HA SER 57 HA SER 57 -11.232 6.248 -3.624 559 HB2 SER 57 HB2 SER 57 -11.291 3.403 -2.616 560 HB3 SER 57 HB1 SER 57 -11.624 4.869 -1.694 561 HG SER 57 HG SER 57 -13.523 5.145 -2.817 562 H THR 58 HN THR 58 -9.283 3.535 -4.647 563 HA THR 58 HA THR 58 -7.192 3.692 -2.797 564 HB THR 58 HB THR 58 -5.781 2.625 -4.578 565 HG1 THR 58 HG1 THR 58 -6.529 2.438 -6.582 566 HG21 THR 58 HG21 THR 58 -7.071 0.544 -4.695 567 HG22 THR 58 HG22 THR 58 -8.513 1.414 -4.164 568 HG23 THR 58 HG23 THR 58 -7.134 1.251 -3.078 569 H LYS 59 HN LYS 59 -7.331 5.082 -6.076 570 HA LYS 59 HA LYS 59 -4.889 6.463 -5.906 571 HB2 LYS 59 HB2 LYS 59 -6.242 5.906 -7.988 572 HB3 LYS 59 HB1 LYS 59 -7.252 7.288 -7.593 573 HG2 LYS 59 HG2 LYS 59 -5.680 8.006 -9.207 574 HG3 LYS 59 HG1 LYS 59 -5.189 8.701 -7.663 575 HD2 LYS 59 HD2 LYS 59 -3.535 6.914 -7.388 576 HD3 LYS 59 HD1 LYS 59 -4.023 6.228 -8.939 577 HE2 LYS 59 HE2 LYS 59 -2.023 7.520 -9.255 578 HE3 LYS 59 HE1 LYS 59 -3.368 8.357 -10.028 579 HZ1 LYS 59 HZ1 LYS 59 -3.514 9.793 -8.062 580 HZ2 LYS 59 HZ2 LYS 59 -2.010 9.911 -8.819 581 HZ3 LYS 59 HZ3 LYS 59 -2.167 9.015 -7.393 582 H LYS 60 HN LYS 60 -8.140 7.315 -5.004 583 HA LYS 60 HA LYS 60 -7.829 10.065 -4.547 584 HB2 LYS 60 HB2 LYS 60 -10.004 8.977 -4.672 585 HB3 LYS 60 HB1 LYS 60 -9.640 8.032 -3.239 586 HG2 LYS 60 HG2 LYS 60 -9.545 10.142 -1.938 587 HG3 LYS 60 HG1 LYS 60 -10.065 11.006 -3.387 588 HD2 LYS 60 HD2 LYS 60 -12.033 10.622 -2.151 589 HD3 LYS 60 HD1 LYS 60 -12.043 9.420 -3.443 590 HE2 LYS 60 HE2 LYS 60 -12.683 8.262 -1.497 591 HE3 LYS 60 HE1 LYS 60 -11.000 7.823 -1.779 592 HZ1 LYS 60 HZ1 LYS 60 -11.980 9.839 0.165 593 HZ2 LYS 60 HZ2 LYS 60 -10.354 9.484 -0.121 594 HZ3 LYS 60 HZ3 LYS 60 -11.373 8.308 0.543 595 H CYS 61 HN CYS 61 -8.008 7.483 -2.111 596 HA CYS 61 HA CYS 61 -7.049 9.043 0.027 597 HB2 CYS 61 HB2 CYS 61 -6.988 6.037 -0.317 598 HB3 CYS 61 HB1 CYS 61 -6.805 6.900 1.207 599 H GLN 62 HN GLN 62 -5.370 7.255 -2.452 600 HA GLN 62 HA GLN 62 -2.841 7.046 -1.308 601 HB2 GLN 62 HB2 GLN 62 -3.301 6.012 -3.434 602 HB3 GLN 62 HB1 GLN 62 -3.639 7.573 -4.172 603 HG2 GLN 62 HG2 GLN 62 -1.273 8.210 -3.728 604 HG3 GLN 62 HG1 GLN 62 -0.982 6.551 -3.201 605 HE21 GLN 62 HE21 GLN 62 -1.007 4.903 -4.732 606 HE22 GLN 62 HE22 GLN 62 -0.901 5.214 -6.427 607 H ASP 63 HN ASP 63 -4.006 9.641 -3.465 608 HA ASP 63 HA ASP 63 -1.773 11.305 -3.121 609 HB2 ASP 63 HB2 ASP 63 -3.288 11.618 -4.988 610 HB3 ASP 63 HB1 ASP 63 -4.612 12.007 -3.893 611 H GLU 64 HN GLU 64 -4.739 10.963 -1.295 612 HA GLU 64 HA GLU 64 -4.770 13.211 0.258 613 HB2 GLU 64 HB2 GLU 64 -6.074 10.793 0.038 614 HB3 GLU 64 HB1 GLU 64 -5.394 10.712 1.646 615 HG2 GLU 64 HG2 GLU 64 -7.227 12.788 0.515 616 HG3 GLU 64 HG1 GLU 64 -7.604 11.608 1.765 617 H LEU 65 HN LEU 65 -3.236 10.099 0.935 618 HA LEU 65 HA LEU 65 -2.047 11.198 3.344 619 HB2 LEU 65 HB2 LEU 65 -1.975 8.373 2.304 620 HB3 LEU 65 HB1 LEU 65 -1.600 8.912 3.933 621 HG LEU 65 HG LEU 65 -4.317 9.194 2.651 622 HD11 LEU 65 HD11 LEU 65 -3.451 7.175 4.694 623 HD12 LEU 65 HD12 LEU 65 -3.669 6.843 2.977 624 HD13 LEU 65 HD13 LEU 65 -5.044 7.349 3.955 625 HD21 LEU 65 HD21 LEU 65 -5.055 9.617 4.959 626 HD22 LEU 65 HD22 LEU 65 -3.922 10.832 4.373 627 HD23 LEU 65 HD23 LEU 65 -3.373 9.579 5.485 628 H TYR 66 HN TYR 66 -1.103 10.155 0.161 629 HA TYR 66 HA TYR 66 1.596 9.738 0.314 630 HB2 TYR 66 HB2 TYR 66 0.532 9.540 -1.789 631 HB3 TYR 66 HB1 TYR 66 -0.059 11.190 -1.746 632 HD1 TYR 66 HD1 TYR 66 2.861 9.054 -2.373 633 HD2 TYR 66 HD2 TYR 66 1.354 13.030 -2.437 634 HE1 TYR 66 HE1 TYR 66 4.794 9.758 -3.720 635 HE2 TYR 66 HE2 TYR 66 3.282 13.745 -3.780 636 HH TYR 66 HH TYR 66 5.714 12.892 -4.105 637 H ALA 67 HN ALA 67 -0.073 12.837 0.471 638 HA ALA 67 HA ALA 67 2.215 14.480 0.284 639 HB1 ALA 67 HB1 ALA 67 -0.042 15.314 -0.105 640 HB2 ALA 67 HB2 ALA 67 0.777 16.255 1.140 641 HB3 ALA 67 HB3 ALA 67 -0.436 15.058 1.593 642 H SER 68 HN SER 68 0.792 12.732 2.939 643 HA SER 68 HA SER 68 2.473 14.165 4.867 644 HB2 SER 68 HB2 SER 68 0.017 13.876 5.318 645 HB3 SER 68 HB1 SER 68 0.288 12.138 5.406 646 HG SER 68 HG SER 68 2.065 13.326 6.988 647 H MET 69 HN MET 69 2.537 11.447 2.954 648 HA MET 69 HA MET 69 3.779 9.595 4.739 649 HB2 MET 69 HB2 MET 69 3.572 9.718 1.731 650 HB3 MET 69 HB1 MET 69 4.368 8.407 2.584 651 HG2 MET 69 HG2 MET 69 2.298 7.825 3.687 652 HG3 MET 69 HG1 MET 69 1.486 9.193 2.927 653 HE1 MET 69 HE1 MET 69 3.106 5.677 2.413 654 HE2 MET 69 HE2 MET 69 4.112 6.674 1.361 655 HE3 MET 69 HE3 MET 69 3.022 5.475 0.665 656 HA PRO 70 HA PRO 70 7.941 11.139 4.527 657 HB2 PRO 70 HB2 PRO 70 9.260 8.876 5.222 658 HB3 PRO 70 HB1 PRO 70 8.348 9.841 6.389 659 HG2 PRO 70 HG2 PRO 70 7.545 7.334 4.959 660 HG3 PRO 70 HG1 PRO 70 7.313 7.776 6.663 661 HD2 PRO 70 HD2 PRO 70 5.341 7.985 4.818 662 HD3 PRO 70 HD1 PRO 70 5.475 9.083 6.205 663 H ASP 71 HN ASP 71 10.154 10.257 3.580 664 HA ASP 71 HA ASP 71 9.787 10.118 0.792 665 HB2 ASP 71 HB2 ASP 71 11.820 11.034 1.917 666 HB3 ASP 71 HB1 ASP 71 12.279 9.388 2.344 667 H LYS 72 HN LYS 72 10.815 7.665 3.130 668 HA LYS 72 HA LYS 72 10.198 5.620 1.118 669 HB2 LYS 72 HB2 LYS 72 12.365 5.500 3.214 670 HB3 LYS 72 HB1 LYS 72 11.997 4.246 2.041 671 HG2 LYS 72 HG2 LYS 72 12.618 5.766 0.228 672 HG3 LYS 72 HG1 LYS 72 12.999 7.014 1.414 673 HD2 LYS 72 HD2 LYS 72 14.708 5.536 2.386 674 HD3 LYS 72 HD1 LYS 72 14.349 4.330 1.151 675 HE2 LYS 72 HE2 LYS 72 16.324 5.640 0.566 676 HE3 LYS 72 HE1 LYS 72 15.018 5.900 -0.588 677 HZ1 LYS 72 HZ1 LYS 72 16.141 7.964 0.059 678 HZ2 LYS 72 HZ2 LYS 72 15.671 7.724 1.662 679 HZ3 LYS 72 HZ3 LYS 72 14.496 7.987 0.468 680 H ILE 73 HN ILE 73 9.711 3.475 2.103 681 HA ILE 73 HA ILE 73 8.102 3.839 4.546 682 HB ILE 73 HB ILE 73 7.261 2.467 1.986 683 HG12 ILE 73 HG12 ILE 73 7.161 4.922 1.861 684 HG13 ILE 73 HG11 ILE 73 5.554 4.207 1.827 685 HG21 ILE 73 HG21 ILE 73 5.754 2.792 4.580 686 HG22 ILE 73 HG22 ILE 73 6.419 1.287 3.944 687 HG23 ILE 73 HG23 ILE 73 5.106 2.100 3.091 688 HD11 ILE 73 HD11 ILE 73 6.864 5.485 4.215 689 HD12 ILE 73 HD12 ILE 73 5.251 4.776 4.178 690 HD13 ILE 73 HD13 ILE 73 5.610 6.202 3.205 691 H ASN 74 HN ASN 74 9.015 2.493 6.015 692 HA ASN 74 HA ASN 74 10.089 -0.073 5.180 693 HB2 ASN 74 HB2 ASN 74 10.841 -0.316 7.483 694 HB3 ASN 74 HB1 ASN 74 11.312 1.258 6.864 695 HD21 ASN 74 HD21 ASN 74 10.531 3.072 7.808 696 HD22 ASN 74 HD22 ASN 74 9.523 3.069 9.214 697 H SER 75 HN SER 75 9.541 -1.855 7.033 698 HA SER 75 HA SER 75 7.077 -2.855 6.291 699 HB2 SER 75 HB2 SER 75 8.578 -3.530 8.828 700 HB3 SER 75 HB1 SER 75 7.414 -4.553 7.989 701 HG SER 75 HG SER 75 8.836 -4.867 6.355 702 H GLU 76 HN GLU 76 7.906 -1.163 9.319 703 HA GLU 76 HA GLU 76 5.317 -1.505 10.452 704 HB2 GLU 76 HB2 GLU 76 7.242 -1.152 11.885 705 HB3 GLU 76 HB1 GLU 76 7.537 0.420 11.154 706 HG2 GLU 76 HG2 GLU 76 5.424 1.242 12.044 707 HG3 GLU 76 HG1 GLU 76 5.107 -0.336 12.761 708 H THR 77 HN THR 77 6.907 1.151 8.739 709 HA THR 77 HA THR 77 4.813 3.023 9.074 710 HB THR 77 HB THR 77 6.878 2.931 6.862 711 HG1 THR 77 HG1 THR 77 6.972 3.781 9.558 712 HG21 THR 77 HG21 THR 77 6.581 5.376 6.831 713 HG22 THR 77 HG22 THR 77 5.295 5.223 8.029 714 HG23 THR 77 HG23 THR 77 5.092 4.525 6.423 715 H ALA 78 HN ALA 78 5.422 0.466 6.797 716 HA ALA 78 HA ALA 78 3.565 1.084 4.805 717 HB1 ALA 78 HB1 ALA 78 3.601 -1.314 4.298 718 HB2 ALA 78 HB2 ALA 78 4.414 -1.620 5.834 719 HB3 ALA 78 HB3 ALA 78 5.224 -0.683 4.581 720 H GLY 79 HN GLY 79 3.171 -0.840 7.778 721 HA2 GLY 79 HA2 GLY 79 0.435 -1.421 7.428 722 HA3 GLY 79 HA1 GLY 79 1.291 -1.425 8.964 723 H THR 80 HN THR 80 2.082 1.285 8.969 724 HA THR 80 HA THR 80 -0.051 2.534 10.213 725 HB THR 80 HB THR 80 2.261 3.904 8.821 726 HG1 THR 80 HG1 THR 80 3.428 3.482 10.625 727 HG21 THR 80 HG21 THR 80 0.533 4.786 11.138 728 HG22 THR 80 HG22 THR 80 0.486 5.447 9.503 729 HG23 THR 80 HG23 THR 80 1.925 5.660 10.501 730 H TRP 81 HN TRP 81 1.188 3.184 6.918 731 HA TRP 81 HA TRP 81 -1.048 4.914 6.370 732 HB2 TRP 81 HB2 TRP 81 1.171 3.929 4.570 733 HB3 TRP 81 HB1 TRP 81 -0.024 5.147 4.126 734 HD1 TRP 81 HD1 TRP 81 3.304 4.786 5.717 735 HE1 TRP 81 HE1 TRP 81 4.066 7.025 6.744 736 HE3 TRP 81 HE3 TRP 81 -1.106 7.342 5.429 737 HZ2 TRP 81 HZ2 TRP 81 2.942 9.538 7.334 738 HZ3 TRP 81 HZ3 TRP 81 -1.182 9.661 6.243 739 HH2 TRP 81 HH2 TRP 81 0.803 10.736 7.178 740 H GLY 82 HN GLY 82 -0.191 1.601 5.774 741 HA2 GLY 82 HA2 GLY 82 -1.988 0.997 3.714 742 HA3 GLY 82 HA1 GLY 82 -1.408 -0.144 4.921 743 H ARG 83 HN ARG 83 -2.454 0.765 7.247 744 HA ARG 83 HA ARG 83 -5.177 -0.001 7.019 745 HB2 ARG 83 HB2 ARG 83 -5.345 0.361 9.392 746 HB3 ARG 83 HB1 ARG 83 -3.801 -0.404 9.054 747 HG2 ARG 83 HG2 ARG 83 -2.618 1.607 9.431 748 HG3 ARG 83 HG1 ARG 83 -4.105 2.562 9.433 749 HD2 ARG 83 HD2 ARG 83 -3.356 0.464 11.468 750 HD3 ARG 83 HD1 ARG 83 -3.239 2.206 11.700 751 HE ARG 83 HE ARG 83 -5.824 0.894 11.153 752 HH11 ARG 83 HH11 ARG 83 -3.828 3.012 13.105 753 HH12 ARG 83 HH12 ARG 83 -5.133 3.502 14.135 754 HH21 ARG 83 HH21 ARG 83 -7.545 1.550 12.501 755 HH22 ARG 83 HH22 ARG 83 -7.246 2.663 13.796 756 H SER 84 HN SER 84 -3.536 3.082 7.133 757 HA SER 84 HA SER 84 -5.790 4.709 7.635 758 HB2 SER 84 HB2 SER 84 -3.242 5.381 6.138 759 HB3 SER 84 HB1 SER 84 -4.408 6.551 6.756 760 HG SER 84 HG SER 84 -2.728 4.795 8.223 761 H LEU 85 HN LEU 85 -4.218 3.666 4.616 762 HA LEU 85 HA LEU 85 -6.041 4.845 2.830 763 HB2 LEU 85 HB2 LEU 85 -4.410 2.312 2.584 764 HB3 LEU 85 HB1 LEU 85 -5.322 3.010 1.263 765 HG LEU 85 HG LEU 85 -3.074 4.435 2.688 766 HD11 LEU 85 HD11 LEU 85 -2.252 2.438 1.541 767 HD12 LEU 85 HD12 LEU 85 -1.728 3.914 0.728 768 HD13 LEU 85 HD13 LEU 85 -3.051 2.961 0.058 769 HD21 LEU 85 HD21 LEU 85 -3.159 5.953 0.798 770 HD22 LEU 85 HD22 LEU 85 -4.738 5.884 1.579 771 HD23 LEU 85 HD23 LEU 85 -4.463 5.015 0.071 772 H GLY 86 HN GLY 86 -5.988 1.695 4.412 773 HA2 GLY 86 HA2 GLY 86 -8.146 0.514 3.139 774 HA3 GLY 86 HA1 GLY 86 -7.601 0.115 4.757 775 H GLU 87 HN GLU 87 -8.215 2.232 6.280 776 HA GLU 87 HA GLU 87 -10.999 1.934 6.605 777 HB2 GLU 87 HB2 GLU 87 -10.823 3.676 8.335 778 HB3 GLU 87 HB1 GLU 87 -9.587 2.441 8.510 779 HG2 GLU 87 HG2 GLU 87 -7.913 3.895 7.628 780 HG3 GLU 87 HG1 GLU 87 -9.125 5.099 7.186 781 H CYS 88 HN CYS 88 -9.054 4.535 5.223 782 HA CYS 88 HA CYS 88 -11.059 6.419 4.787 783 HB2 CYS 88 HB2 CYS 88 -8.731 6.987 4.499 784 HB3 CYS 88 HB1 CYS 88 -8.556 5.802 3.208 785 H ILE 89 HN ILE 89 -9.892 3.815 2.687 786 HA ILE 89 HA ILE 89 -11.677 4.303 0.555 787 HB ILE 89 HB ILE 89 -10.189 1.815 1.377 788 HG12 ILE 89 HG12 ILE 89 -9.689 3.760 -0.885 789 HG13 ILE 89 HG11 ILE 89 -8.871 3.827 0.673 790 HG21 ILE 89 HG21 ILE 89 -10.690 0.947 -0.859 791 HG22 ILE 89 HG22 ILE 89 -11.735 2.336 -1.156 792 HG23 ILE 89 HG23 ILE 89 -12.150 1.176 0.103 793 HD11 ILE 89 HD11 ILE 89 -7.942 1.608 0.267 794 HD12 ILE 89 HD12 ILE 89 -7.481 2.762 -0.983 795 HD13 ILE 89 HD13 ILE 89 -8.739 1.569 -1.305 796 H GLY 90 HN GLY 90 -11.802 2.076 3.310 797 HA2 GLY 90 HA2 GLY 90 -14.178 0.759 2.679 798 HA3 GLY 90 HA1 GLY 90 -13.560 0.997 4.305 799 H LYS 91 HN LYS 91 -13.668 3.923 4.069 800 HA LYS 91 HA LYS 91 -16.426 4.290 4.807 801 HB2 LYS 91 HB2 LYS 91 -14.153 6.261 4.535 802 HB3 LYS 91 HB1 LYS 91 -15.751 6.667 5.145 803 HG2 LYS 91 HG2 LYS 91 -15.439 5.097 6.994 804 HG3 LYS 91 HG1 LYS 91 -13.828 4.711 6.384 805 HD2 LYS 91 HD2 LYS 91 -13.183 7.068 6.654 806 HD3 LYS 91 HD1 LYS 91 -14.781 7.416 7.314 807 HE2 LYS 91 HE2 LYS 91 -14.361 5.867 9.155 808 HE3 LYS 91 HE1 LYS 91 -12.768 5.502 8.492 809 HZ1 LYS 91 HZ1 LYS 91 -12.152 7.822 8.813 810 HZ2 LYS 91 HZ2 LYS 91 -12.618 7.116 10.275 811 HZ3 LYS 91 HZ3 LYS 91 -13.677 8.159 9.466 812 H ASP 92 HN ASP 92 -14.327 5.232 2.139 813 HA ASP 92 HA ASP 92 -16.187 6.983 0.897 814 HB2 ASP 92 HB2 ASP 92 -13.774 7.123 0.463 815 HB3 ASP 92 HB1 ASP 92 -13.810 5.536 -0.292 816 H PHE 93 HN PHE 93 -15.254 3.627 0.326 817 HA PHE 93 HA PHE 93 -16.979 3.197 -1.867 818 HB2 PHE 93 HB2 PHE 93 -15.073 1.736 -1.392 819 HB3 PHE 93 HB1 PHE 93 -15.829 1.215 0.110 820 HD1 PHE 93 HD1 PHE 93 -17.316 -0.577 0.134 821 HD2 PHE 93 HD2 PHE 93 -16.252 1.234 -3.564 822 HE1 PHE 93 HE1 PHE 93 -18.467 -2.380 -1.076 823 HE2 PHE 93 HE2 PHE 93 -17.399 -0.564 -4.778 824 HZ PHE 93 HZ PHE 93 -18.507 -2.373 -3.538 825 H ALA 94 HN ALA 94 -17.379 2.870 1.607 826 HA ALA 94 HA ALA 94 -19.838 1.519 1.615 827 HB1 ALA 94 HB1 ALA 94 -18.802 3.495 3.645 828 HB2 ALA 94 HB2 ALA 94 -18.453 1.766 3.619 829 HB3 ALA 94 HB3 ALA 94 -20.101 2.330 3.895 830 H GLU 95 HN GLU 95 -19.141 5.008 1.875 831 HA GLU 95 HA GLU 95 -21.860 5.767 1.788 832 HB2 GLU 95 HB2 GLU 95 -19.384 7.365 1.144 833 HB3 GLU 95 HB1 GLU 95 -20.994 8.042 1.364 834 HG2 GLU 95 HG2 GLU 95 -21.001 7.061 3.659 835 HG3 GLU 95 HG1 GLU 95 -19.311 6.632 3.413 836 H LYS 96 HN LYS 96 -19.519 5.054 -0.672 837 HA LYS 96 HA LYS 96 -20.827 6.230 -2.876 838 HB2 LYS 96 HB2 LYS 96 -18.724 4.188 -2.491 839 HB3 LYS 96 HB1 LYS 96 -19.596 4.110 -4.011 840 HG2 LYS 96 HG2 LYS 96 -19.011 6.476 -4.424 841 HG3 LYS 96 HG1 LYS 96 -18.049 6.459 -2.943 842 HD2 LYS 96 HD2 LYS 96 -16.570 4.814 -3.829 843 HD3 LYS 96 HD1 LYS 96 -17.621 4.523 -5.218 844 HE2 LYS 96 HE2 LYS 96 -15.695 5.861 -5.862 845 HE3 LYS 96 HE1 LYS 96 -17.179 6.799 -6.016 846 HZ1 LYS 96 HZ1 LYS 96 -16.678 7.909 -3.958 847 HZ2 LYS 96 HZ2 LYS 96 -15.356 8.057 -5.002 848 HZ3 LYS 96 HZ3 LYS 96 -15.301 6.953 -3.715 849 H HIS 97 HN HIS 97 -20.728 2.747 -2.020 850 HA HIS 97 HA HIS 97 -23.157 2.478 -3.658 851 HB2 HIS 97 HB2 HIS 97 -20.790 0.670 -3.341 852 HB3 HIS 97 HB1 HIS 97 -22.329 0.057 -3.937 853 HD1 HIS 97 HD1 HIS 97 -23.023 0.701 -6.314 854 HD2 HIS 97 HD2 HIS 97 -19.467 2.466 -5.084 855 HE1 HIS 97 HE1 HIS 97 -22.030 1.735 -8.377 856 HE2 HIS 97 HE2 HIS 97 -19.987 2.960 -7.569 857 H LEU 98 HN LEU 98 -21.728 1.563 -0.580 858 HA LEU 98 HA LEU 98 -23.706 -0.421 -0.018 859 HB2 LEU 98 HB2 LEU 98 -21.813 1.022 1.833 860 HB3 LEU 98 HB1 LEU 98 -22.832 -0.322 2.306 861 HG LEU 98 HG LEU 98 -20.547 -0.402 0.331 862 HD11 LEU 98 HD11 LEU 98 -20.933 -1.711 3.019 863 HD12 LEU 98 HD12 LEU 98 -19.871 -0.344 2.678 864 HD13 LEU 98 HD13 LEU 98 -19.541 -1.920 1.954 865 HD21 LEU 98 HD21 LEU 98 -22.340 -1.859 -0.431 866 HD22 LEU 98 HD22 LEU 98 -22.443 -2.595 1.166 867 HD23 LEU 98 HD23 LEU 98 -20.992 -2.810 0.190 868 H ILE 99 HN ILE 99 -23.382 3.020 0.690 869 HA ILE 99 HA ILE 99 -26.027 3.010 1.925 870 HB ILE 99 HB ILE 99 -24.238 5.375 1.320 871 HG12 ILE 99 HG12 ILE 99 -24.640 3.821 3.889 872 HG13 ILE 99 HG11 ILE 99 -23.166 3.884 2.929 873 HG21 ILE 99 HG21 ILE 99 -26.598 5.960 1.506 874 HG22 ILE 99 HG22 ILE 99 -25.688 6.577 2.885 875 HG23 ILE 99 HG23 ILE 99 -26.691 5.137 3.063 876 HD11 ILE 99 HD11 ILE 99 -22.968 6.274 3.417 877 HD12 ILE 99 HD12 ILE 99 -22.981 5.296 4.881 878 HD13 ILE 99 HD13 ILE 99 -24.426 6.185 4.403 879 HA PRO 100 HA PRO 100 -27.539 3.793 -2.264 880 HB2 PRO 100 HB2 PRO 100 -30.026 2.878 -1.891 881 HB3 PRO 100 HB1 PRO 100 -28.653 1.777 -2.046 882 HG2 PRO 100 HG2 PRO 100 -30.098 2.670 0.411 883 HG3 PRO 100 HG1 PRO 100 -29.472 1.064 -0.002 884 HD2 PRO 100 HD2 PRO 100 -28.198 2.880 1.652 885 HD3 PRO 100 HD1 PRO 100 -27.392 1.552 0.795 886 H LYS 101 HN LYS 101 -28.649 4.955 0.775 887 HA LYS 101 HA LYS 101 -30.249 7.038 -0.529 888 HB2 LYS 101 HB2 LYS 101 -31.184 7.325 1.842 889 HB3 LYS 101 HB1 LYS 101 -31.644 5.875 0.961 890 HG2 LYS 101 HG2 LYS 101 -30.008 4.573 2.180 891 HG3 LYS 101 HG1 LYS 101 -29.461 6.019 3.027 892 HD2 LYS 101 HD2 LYS 101 -31.658 6.260 4.057 893 HD3 LYS 101 HD1 LYS 101 -32.235 4.840 3.177 894 HE2 LYS 101 HE2 LYS 101 -30.570 3.460 4.320 895 HE3 LYS 101 HE1 LYS 101 -29.994 4.876 5.195 896 HZ1 LYS 101 HZ1 LYS 101 -32.120 5.064 6.272 897 HZ2 LYS 101 HZ2 LYS 101 -31.520 3.501 6.504 898 HZ3 LYS 101 HZ3 LYS 101 -32.744 3.776 5.373 Start of MODEL 4 1 H1 MET -14 HT1 MET -14 -5.189 4.726 -20.495 2 H2 MET -14 HT2 MET -14 -6.812 5.154 -20.322 3 H3 MET -14 HT3 MET -14 -5.640 5.886 -19.352 4 HA MET -14 HA MET -14 -5.838 6.133 -22.289 5 HB2 MET -14 HB2 MET -14 -7.674 7.310 -21.322 6 HB3 MET -14 HB1 MET -14 -6.662 7.991 -20.061 7 HG2 MET -14 HG2 MET -14 -7.243 9.637 -21.759 8 HG3 MET -14 HG1 MET -14 -5.504 9.359 -21.682 9 HE1 MET -14 HE1 MET -14 -6.110 10.133 -25.469 10 HE2 MET -14 HE2 MET -14 -5.198 10.564 -24.023 11 HE3 MET -14 HE3 MET -14 -6.936 10.852 -24.087 12 H ALA -13 HN ALA -13 -4.394 7.597 -19.346 13 HA ALA -13 HA ALA -13 -2.310 8.799 -20.943 14 HB1 ALA -13 HB1 ALA -13 -1.520 9.763 -18.873 15 HB2 ALA -13 HB2 ALA -13 -2.586 8.711 -17.946 16 HB3 ALA -13 HB3 ALA -13 -3.270 9.952 -18.993 17 H HIS -12 HN HIS -12 -2.641 5.988 -18.877 18 HA HIS -12 HA HIS -12 0.245 5.569 -18.866 19 HB2 HIS -12 HB2 HIS -12 -2.004 4.087 -17.500 20 HB3 HIS -12 HB1 HIS -12 -0.314 3.610 -17.395 21 HD1 HIS -12 HD1 HIS -12 -2.571 5.002 -15.272 22 HD2 HIS -12 HD2 HIS -12 1.103 6.386 -16.639 23 HE1 HIS -12 HE1 HIS -12 -1.780 6.643 -13.544 24 HE2 HIS -12 HE2 HIS -12 0.341 7.606 -14.492 25 H HIS -11 HN HIS -11 -0.122 5.330 -21.358 26 HA HIS -11 HA HIS -11 -1.016 2.677 -22.122 27 HB2 HIS -11 HB2 HIS -11 0.034 5.049 -23.623 28 HB3 HIS -11 HB1 HIS -11 0.045 3.466 -24.391 29 HD1 HIS -11 HD1 HIS -11 -1.696 4.553 -26.094 30 HD2 HIS -11 HD2 HIS -11 -3.043 4.046 -22.197 31 HE1 HIS -11 HE1 HIS -11 -4.197 4.774 -26.209 32 HE2 HIS -11 HE2 HIS -11 -4.997 4.251 -23.881 33 H HIS -10 HN HIS -10 2.039 4.460 -22.058 34 HA HIS -10 HA HIS -10 3.530 1.996 -22.489 35 HB2 HIS -10 HB2 HIS -10 4.169 4.163 -23.607 36 HB3 HIS -10 HB1 HIS -10 4.587 4.795 -22.020 37 HD1 HIS -10 HD1 HIS -10 5.934 2.887 -24.826 38 HD2 HIS -10 HD2 HIS -10 6.834 3.384 -20.796 39 HE1 HIS -10 HE1 HIS -10 8.295 2.068 -24.553 40 HE2 HIS -10 HE2 HIS -10 8.867 2.515 -22.139 41 H HIS -9 HN HIS -9 3.068 0.877 -20.583 42 HA HIS -9 HA HIS -9 3.440 2.044 -17.998 43 HB2 HIS -9 HB2 HIS -9 3.235 -0.868 -18.806 44 HB3 HIS -9 HB1 HIS -9 3.185 -0.272 -17.154 45 HD1 HIS -9 HD1 HIS -9 1.037 -1.248 -19.843 46 HD2 HIS -9 HD2 HIS -9 0.842 1.550 -16.774 47 HE1 HIS -9 HE1 HIS -9 -1.403 -0.683 -19.593 48 HE2 HIS -9 HE2 HIS -9 -1.476 1.119 -17.833 49 H HIS -8 HN HIS -8 5.087 -0.829 -19.277 50 HA HIS -8 HA HIS -8 7.694 0.314 -18.676 51 HB2 HIS -8 HB2 HIS -8 6.577 -2.098 -17.246 52 HB3 HIS -8 HB1 HIS -8 8.306 -1.840 -17.414 53 HD1 HIS -8 HD1 HIS -8 9.387 -0.096 -15.903 54 HD2 HIS -8 HD2 HIS -8 5.261 -0.306 -15.489 55 HE1 HIS -8 HE1 HIS -8 8.853 1.199 -13.820 56 HE2 HIS -8 HE2 HIS -8 6.340 1.225 -13.707 57 H HIS -7 HN HIS -7 6.725 -3.078 -18.986 58 HA HIS -7 HA HIS -7 7.287 -4.711 -20.451 59 HB2 HIS -7 HB2 HIS -7 7.199 -2.383 -22.358 60 HB3 HIS -7 HB1 HIS -7 7.562 -4.016 -22.898 61 HD1 HIS -7 HD1 HIS -7 5.188 -3.038 -24.208 62 HD2 HIS -7 HD2 HIS -7 4.958 -4.609 -20.369 63 HE1 HIS -7 HE1 HIS -7 2.782 -3.693 -23.888 64 HE2 HIS -7 HE2 HIS -7 2.696 -4.754 -21.606 65 H VAL -6 HN VAL -6 9.371 -2.829 -19.172 66 HA VAL -6 HA VAL -6 11.648 -4.171 -20.412 67 HB VAL -6 HB VAL -6 13.046 -2.116 -20.115 68 HG11 VAL -6 HG11 VAL -6 12.276 -2.722 -22.327 69 HG12 VAL -6 HG12 VAL -6 12.259 -0.969 -22.144 70 HG13 VAL -6 HG13 VAL -6 10.752 -1.881 -22.056 71 HG21 VAL -6 HG21 VAL -6 11.927 0.063 -19.969 72 HG22 VAL -6 HG22 VAL -6 11.646 -0.921 -18.533 73 HG23 VAL -6 HG23 VAL -6 10.380 -0.756 -19.749 74 H ASP -5 HN ASP -5 13.235 -4.756 -18.950 75 HA ASP -5 HA ASP -5 12.859 -3.961 -16.161 76 HB2 ASP -5 HB2 ASP -5 11.548 -6.046 -16.520 77 HB3 ASP -5 HB1 ASP -5 13.026 -6.855 -17.027 78 H ASP -4 HN ASP -4 14.746 -3.213 -15.544 79 HA ASP -4 HA ASP -4 17.175 -3.981 -16.884 80 HB2 ASP -4 HB2 ASP -4 16.887 -1.655 -16.269 81 HB3 ASP -4 HB1 ASP -4 16.681 -2.095 -14.576 82 H ASP -3 HN ASP -3 18.256 -5.717 -16.374 83 HA ASP -3 HA ASP -3 18.588 -6.477 -13.566 84 HB2 ASP -3 HB2 ASP -3 18.069 -8.795 -14.016 85 HB3 ASP -3 HB1 ASP -3 16.708 -7.813 -14.547 86 H ASP -2 HN ASP -2 20.555 -7.444 -13.118 87 HA ASP -2 HA ASP -2 22.213 -8.554 -15.164 88 HB2 ASP -2 HB2 ASP -2 22.578 -6.050 -15.418 89 HB3 ASP -2 HB1 ASP -2 23.303 -6.079 -13.814 90 H LYS -1 HN LYS -1 23.790 -9.868 -14.301 91 HA LYS -1 HA LYS -1 23.430 -10.401 -11.465 92 HB2 LYS -1 HB2 LYS -1 24.893 -11.957 -13.599 93 HB3 LYS -1 HB1 LYS -1 24.665 -12.490 -11.940 94 HG2 LYS -1 HG2 LYS -1 22.241 -12.491 -12.278 95 HG3 LYS -1 HG1 LYS -1 22.480 -11.973 -13.946 96 HD2 LYS -1 HD2 LYS -1 22.205 -14.261 -14.164 97 HD3 LYS -1 HD1 LYS -1 23.959 -14.090 -14.137 98 HE2 LYS -1 HE2 LYS -1 22.256 -14.790 -11.747 99 HE3 LYS -1 HE1 LYS -1 23.113 -15.961 -12.742 100 HZ1 LYS -1 HZ1 LYS -1 24.429 -15.537 -10.848 101 HZ2 LYS -1 HZ2 LYS -1 24.291 -13.865 -11.008 102 HZ3 LYS -1 HZ3 LYS -1 25.196 -14.747 -12.130 103 H MET 0 HN MET 0 25.705 -8.809 -13.447 104 HA MET 0 HA MET 0 27.862 -9.275 -11.516 105 HB2 MET 0 HB2 MET 0 28.356 -9.528 -13.946 106 HB3 MET 0 HB1 MET 0 27.991 -7.821 -14.162 107 HG2 MET 0 HG2 MET 0 30.383 -8.196 -14.030 108 HG3 MET 0 HG1 MET 0 29.818 -7.228 -12.669 109 HE1 MET 0 HE1 MET 0 32.744 -9.290 -11.088 110 HE2 MET 0 HE2 MET 0 32.068 -7.682 -11.340 111 HE3 MET 0 HE3 MET 0 32.665 -8.612 -12.714 112 H GLU 1 HN GLU 1 26.311 -6.564 -13.222 113 HA GLU 1 HA GLU 1 26.982 -4.870 -10.903 114 HB2 GLU 1 HB2 GLU 1 28.053 -4.148 -13.021 115 HB3 GLU 1 HB1 GLU 1 26.459 -3.992 -13.749 116 HG2 GLU 1 HG2 GLU 1 25.881 -2.288 -12.082 117 HG3 GLU 1 HG1 GLU 1 27.502 -2.420 -11.403 118 H ASP 2 HN ASP 2 25.264 -4.760 -9.646 119 HA ASP 2 HA ASP 2 22.613 -4.500 -10.897 120 HB2 ASP 2 HB2 ASP 2 21.676 -5.389 -8.814 121 HB3 ASP 2 HB1 ASP 2 22.835 -6.515 -9.507 122 H THR 3 HN THR 3 21.108 -3.073 -9.870 123 HA THR 3 HA THR 3 22.418 -0.713 -8.771 124 HB THR 3 HB THR 3 20.116 0.310 -9.134 125 HG1 THR 3 HG1 THR 3 19.060 -1.133 -10.904 126 HG21 THR 3 HG21 THR 3 21.560 -0.839 -11.526 127 HG22 THR 3 HG22 THR 3 21.967 0.662 -10.693 128 HG23 THR 3 HG23 THR 3 20.437 0.521 -11.558 129 H ALA 4 HN ALA 4 22.207 -2.976 -7.095 130 HA ALA 4 HA ALA 4 21.763 -3.484 -4.938 131 HB1 ALA 4 HB1 ALA 4 22.193 -1.122 -4.465 132 HB2 ALA 4 HB2 ALA 4 20.935 -1.774 -3.418 133 HB3 ALA 4 HB3 ALA 4 20.500 -0.750 -4.786 134 H ASN 5 HN ASN 5 19.883 -3.776 -3.359 135 HA ASN 5 HA ASN 5 17.375 -4.145 -4.858 136 HB2 ASN 5 HB2 ASN 5 16.928 -6.168 -3.715 137 HB3 ASN 5 HB1 ASN 5 18.627 -6.277 -4.152 138 HD21 ASN 5 HD21 ASN 5 16.334 -6.161 -1.607 139 HD22 ASN 5 HD22 ASN 5 17.445 -6.362 -0.297 140 HA PRO 6 HA PRO 6 15.826 -1.237 -1.947 141 HB2 PRO 6 HB2 PRO 6 13.159 -1.675 -2.303 142 HB3 PRO 6 HB1 PRO 6 14.156 -0.764 -3.443 143 HG2 PRO 6 HG2 PRO 6 13.242 -3.608 -3.574 144 HG3 PRO 6 HG1 PRO 6 13.342 -2.400 -4.869 145 HD2 PRO 6 HD2 PRO 6 15.200 -4.342 -4.532 146 HD3 PRO 6 HD1 PRO 6 15.599 -2.738 -5.181 147 H ASN 7 HN ASN 7 16.280 -1.822 0.117 148 HA ASN 7 HA ASN 7 15.279 -4.123 1.422 149 HB2 ASN 7 HB2 ASN 7 16.065 -3.118 3.483 150 HB3 ASN 7 HB1 ASN 7 17.251 -2.812 2.221 151 HD21 ASN 7 HD21 ASN 7 14.969 -1.430 4.402 152 HD22 ASN 7 HD22 ASN 7 15.349 0.230 4.091 153 H GLU 8 HN GLU 8 14.103 -0.877 1.006 154 HA GLU 8 HA GLU 8 11.445 -1.788 1.773 155 HB2 GLU 8 HB2 GLU 8 11.003 -0.029 3.242 156 HB3 GLU 8 HB1 GLU 8 12.644 -0.487 3.673 157 HG2 GLU 8 HG2 GLU 8 13.261 1.363 1.916 158 HG3 GLU 8 HG1 GLU 8 11.638 1.941 2.303 159 H MET 9 HN MET 9 9.838 -0.004 1.049 160 HA MET 9 HA MET 9 10.674 0.738 -1.669 161 HB2 MET 9 HB2 MET 9 8.108 0.779 -2.014 162 HB3 MET 9 HB1 MET 9 8.919 -0.772 -1.903 163 HG2 MET 9 HG2 MET 9 8.315 -0.798 0.532 164 HG3 MET 9 HG1 MET 9 7.306 0.610 0.212 165 HE1 MET 9 HE1 MET 9 7.939 -2.505 -2.163 166 HE2 MET 9 HE2 MET 9 6.617 -3.558 -1.661 167 HE3 MET 9 HE3 MET 9 7.919 -3.178 -0.534 168 H THR 10 HN THR 10 9.964 2.748 -2.541 169 HA THR 10 HA THR 10 10.038 4.874 -0.630 170 HB THR 10 HB THR 10 9.737 6.350 -2.640 171 HG1 THR 10 HG1 THR 10 10.054 4.994 -4.684 172 HG21 THR 10 HG21 THR 10 11.973 5.715 -1.904 173 HG22 THR 10 HG22 THR 10 11.907 5.777 -3.665 174 HG23 THR 10 HG23 THR 10 11.874 4.221 -2.837 175 H LYS 11 HN LYS 11 8.362 6.717 -0.788 176 HA LYS 11 HA LYS 11 5.865 5.741 -0.030 177 HB2 LYS 11 HB2 LYS 11 5.057 8.036 -0.170 178 HB3 LYS 11 HB1 LYS 11 6.647 7.981 0.572 179 HG2 LYS 11 HG2 LYS 11 7.620 8.637 -1.627 180 HG3 LYS 11 HG1 LYS 11 5.976 8.848 -2.232 181 HD2 LYS 11 HD2 LYS 11 7.294 10.353 0.028 182 HD3 LYS 11 HD1 LYS 11 6.841 10.993 -1.552 183 HE2 LYS 11 HE2 LYS 11 4.467 10.523 -1.012 184 HE3 LYS 11 HE1 LYS 11 4.969 9.991 0.590 185 HZ1 LYS 11 HZ1 LYS 11 4.168 12.299 0.540 186 HZ2 LYS 11 HZ2 LYS 11 5.445 12.712 -0.491 187 HZ3 LYS 11 HZ3 LYS 11 5.768 12.179 1.081 188 H ASP 12 HN ASP 12 7.080 6.614 -3.188 189 HA ASP 12 HA ASP 12 4.498 6.491 -4.455 190 HB2 ASP 12 HB2 ASP 12 6.222 7.946 -5.373 191 HB3 ASP 12 HB1 ASP 12 7.289 6.572 -5.618 192 H ALA 13 HN ALA 13 7.387 4.426 -4.350 193 HA ALA 13 HA ALA 13 6.406 2.429 -6.079 194 HB1 ALA 13 HB1 ALA 13 8.203 1.038 -5.210 195 HB2 ALA 13 HB2 ALA 13 8.448 2.174 -3.880 196 HB3 ALA 13 HB3 ALA 13 8.773 2.674 -5.538 197 H TRP 14 HN TRP 14 6.197 2.848 -2.584 198 HA TRP 14 HA TRP 14 5.052 0.363 -1.964 199 HB2 TRP 14 HB2 TRP 14 5.892 1.881 -0.240 200 HB3 TRP 14 HB1 TRP 14 4.623 3.043 -0.621 201 HD1 TRP 14 HD1 TRP 14 5.004 -0.530 0.807 202 HE1 TRP 14 HE1 TRP 14 3.038 -0.974 2.403 203 HE3 TRP 14 HE3 TRP 14 2.347 3.776 0.037 204 HZ2 TRP 14 HZ2 TRP 14 0.681 0.329 3.234 205 HZ3 TRP 14 HZ3 TRP 14 0.251 4.095 1.279 206 HH2 TRP 14 HH2 TRP 14 -0.565 2.407 2.841 207 H LEU 15 HN LEU 15 3.482 3.493 -2.576 208 HA LEU 15 HA LEU 15 0.840 2.632 -2.527 209 HB2 LEU 15 HB2 LEU 15 2.127 4.796 -4.193 210 HB3 LEU 15 HB1 LEU 15 0.397 4.580 -4.036 211 HG LEU 15 HG LEU 15 2.231 5.153 -1.717 212 HD11 LEU 15 HD11 LEU 15 2.322 7.039 -3.163 213 HD12 LEU 15 HD12 LEU 15 1.221 7.428 -1.837 214 HD13 LEU 15 HD13 LEU 15 0.577 6.996 -3.420 215 HD21 LEU 15 HD21 LEU 15 0.110 5.752 -0.598 216 HD22 LEU 15 HD22 LEU 15 0.186 4.052 -1.056 217 HD23 LEU 15 HD23 LEU 15 -0.771 5.179 -2.015 218 H ASN 16 HN ASN 16 3.188 2.635 -5.157 219 HA ASN 16 HA ASN 16 1.501 2.029 -7.288 220 HB2 ASN 16 HB2 ASN 16 3.878 2.715 -7.495 221 HB3 ASN 16 HB1 ASN 16 4.368 1.130 -6.907 222 HD21 ASN 16 HD21 ASN 16 3.112 2.942 -9.559 223 HD22 ASN 16 HD22 ASN 16 3.234 1.689 -10.744 224 H SER 17 HN SER 17 3.070 -0.096 -4.954 225 HA SER 17 HA SER 17 2.071 -2.469 -6.312 226 HB2 SER 17 HB2 SER 17 4.386 -2.361 -5.346 227 HB3 SER 17 HB1 SER 17 3.663 -2.283 -3.740 228 HG SER 17 HG SER 17 3.775 -4.410 -5.559 229 H MET 18 HN MET 18 1.318 -0.466 -3.590 230 HA MET 18 HA MET 18 -0.103 -2.517 -2.140 231 HB2 MET 18 HB2 MET 18 1.200 -0.752 -1.004 232 HB3 MET 18 HB1 MET 18 0.087 0.453 -1.632 233 HG2 MET 18 HG2 MET 18 -0.518 0.044 0.606 234 HG3 MET 18 HG1 MET 18 -1.744 -0.718 -0.404 235 HE1 MET 18 HE1 MET 18 -1.530 -3.104 2.713 236 HE2 MET 18 HE2 MET 18 -2.593 -2.118 1.710 237 HE3 MET 18 HE3 MET 18 -1.358 -1.349 2.707 238 H THR 19 HN THR 19 -0.923 0.235 -4.173 239 HA THR 19 HA THR 19 -3.541 0.644 -3.410 240 HB THR 19 HB THR 19 -3.850 1.359 -5.907 241 HG1 THR 19 HG1 THR 19 -1.023 1.492 -5.783 242 HG21 THR 19 HG21 THR 19 -1.909 2.722 -4.041 243 HG22 THR 19 HG22 THR 19 -3.665 2.891 -4.018 244 HG23 THR 19 HG23 THR 19 -2.742 3.487 -5.396 245 HA PRO 20 HA PRO 20 -5.221 -2.418 -6.612 246 HB2 PRO 20 HB2 PRO 20 -3.669 -4.127 -7.933 247 HB3 PRO 20 HB1 PRO 20 -3.773 -2.422 -8.404 248 HG2 PRO 20 HG2 PRO 20 -1.657 -3.799 -6.782 249 HG3 PRO 20 HG1 PRO 20 -1.465 -2.658 -8.126 250 HD2 PRO 20 HD2 PRO 20 -1.325 -1.945 -5.490 251 HD3 PRO 20 HD1 PRO 20 -1.811 -0.838 -6.788 252 H LEU 21 HN LEU 21 -3.037 -3.294 -4.183 253 HA LEU 21 HA LEU 21 -4.015 -6.012 -3.887 254 HB2 LEU 21 HB2 LEU 21 -2.276 -4.321 -2.085 255 HB3 LEU 21 HB1 LEU 21 -2.662 -6.007 -1.808 256 HG LEU 21 HG LEU 21 -1.079 -4.927 -4.140 257 HD11 LEU 21 HD11 LEU 21 -0.213 -6.533 -1.739 258 HD12 LEU 21 HD12 LEU 21 0.122 -4.823 -2.009 259 HD13 LEU 21 HD13 LEU 21 0.814 -6.037 -3.085 260 HD21 LEU 21 HD21 LEU 21 -1.780 -7.753 -3.357 261 HD22 LEU 21 HD22 LEU 21 -0.635 -7.301 -4.619 262 HD23 LEU 21 HD23 LEU 21 -2.340 -6.889 -4.788 263 H LEU 22 HN LEU 22 -4.859 -2.856 -2.957 264 HA LEU 22 HA LEU 22 -6.090 -3.395 -0.481 265 HB2 LEU 22 HB2 LEU 22 -6.574 -1.138 -2.420 266 HB3 LEU 22 HB1 LEU 22 -7.186 -1.198 -0.780 267 HG LEU 22 HG LEU 22 -4.255 -1.200 -1.504 268 HD11 LEU 22 HD11 LEU 22 -5.291 0.911 -2.128 269 HD12 LEU 22 HD12 LEU 22 -4.243 1.112 -0.724 270 HD13 LEU 22 HD13 LEU 22 -5.993 1.053 -0.517 271 HD21 LEU 22 HD21 LEU 22 -5.685 -0.895 1.135 272 HD22 LEU 22 HD22 LEU 22 -3.952 -0.692 0.884 273 HD23 LEU 22 HD23 LEU 22 -4.700 -2.268 0.627 274 HA PRO 23 HA PRO 23 -10.257 -3.390 -3.235 275 HB2 PRO 23 HB2 PRO 23 -8.926 -4.940 -5.424 276 HB3 PRO 23 HB1 PRO 23 -10.319 -3.858 -5.501 277 HG2 PRO 23 HG2 PRO 23 -7.993 -2.967 -6.309 278 HG3 PRO 23 HG1 PRO 23 -9.011 -1.946 -5.288 279 HD2 PRO 23 HD2 PRO 23 -6.585 -3.511 -4.543 280 HD3 PRO 23 HD1 PRO 23 -7.112 -1.906 -4.008 281 H ASP 24 HN ASP 24 -7.840 -5.964 -3.392 282 HA ASP 24 HA ASP 24 -9.620 -8.135 -3.210 283 HB2 ASP 24 HB2 ASP 24 -7.293 -8.393 -3.937 284 HB3 ASP 24 HB1 ASP 24 -6.727 -7.925 -2.337 285 H LEU 25 HN LEU 25 -7.680 -6.496 -0.731 286 HA LEU 25 HA LEU 25 -8.658 -8.050 1.429 287 HB2 LEU 25 HB2 LEU 25 -6.500 -6.862 1.438 288 HB3 LEU 25 HB1 LEU 25 -7.348 -5.331 1.427 289 HG LEU 25 HG LEU 25 -8.342 -5.923 3.635 290 HD11 LEU 25 HD11 LEU 25 -7.308 -7.747 4.912 291 HD12 LEU 25 HD12 LEU 25 -6.417 -8.237 3.470 292 HD13 LEU 25 HD13 LEU 25 -8.177 -8.339 3.496 293 HD21 LEU 25 HD21 LEU 25 -6.303 -5.498 4.911 294 HD22 LEU 25 HD22 LEU 25 -6.377 -4.489 3.466 295 HD23 LEU 25 HD23 LEU 25 -5.330 -5.907 3.498 296 H ILE 26 HN ILE 26 -9.504 -4.886 0.116 297 HA ILE 26 HA ILE 26 -11.159 -4.035 2.210 298 HB ILE 26 HB ILE 26 -11.295 -3.269 -0.709 299 HG12 ILE 26 HG12 ILE 26 -9.108 -2.821 0.288 300 HG13 ILE 26 HG11 ILE 26 -9.964 -1.318 -0.027 301 HG21 ILE 26 HG21 ILE 26 -13.351 -2.692 0.429 302 HG22 ILE 26 HG22 ILE 26 -12.420 -1.234 0.085 303 HG23 ILE 26 HG23 ILE 26 -12.445 -1.901 1.718 304 HD11 ILE 26 HD11 ILE 26 -10.564 -1.164 2.330 305 HD12 ILE 26 HD12 ILE 26 -8.817 -1.257 2.107 306 HD13 ILE 26 HD13 ILE 26 -9.712 -2.675 2.646 307 H CYS 27 HN CYS 27 -12.038 -5.621 -0.878 308 HA CYS 27 HA CYS 27 -14.812 -5.576 -0.365 309 HB2 CYS 27 HB2 CYS 27 -13.767 -5.982 -2.619 310 HB3 CYS 27 HB1 CYS 27 -13.384 -7.612 -2.076 311 H LYS 28 HN LYS 28 -12.311 -7.990 0.270 312 HA LYS 28 HA LYS 28 -13.983 -10.023 1.220 313 HB2 LYS 28 HB2 LYS 28 -11.127 -9.323 1.887 314 HB3 LYS 28 HB1 LYS 28 -11.930 -10.751 2.522 315 HG2 LYS 28 HG2 LYS 28 -12.229 -11.629 0.302 316 HG3 LYS 28 HG1 LYS 28 -11.576 -10.148 -0.405 317 HD2 LYS 28 HD2 LYS 28 -9.425 -10.576 0.651 318 HD3 LYS 28 HD1 LYS 28 -10.073 -12.029 1.413 319 HE2 LYS 28 HE2 LYS 28 -10.360 -13.095 -0.707 320 HE3 LYS 28 HE1 LYS 28 -9.966 -11.606 -1.567 321 HZ1 LYS 28 HZ1 LYS 28 -8.119 -13.219 -1.472 322 HZ2 LYS 28 HZ2 LYS 28 -8.076 -13.046 0.209 323 HZ3 LYS 28 HZ3 LYS 28 -7.731 -11.718 -0.791 324 H GLY 29 HN GLY 29 -12.731 -7.126 2.732 325 HA2 GLY 29 HA2 GLY 29 -13.283 -7.788 5.426 326 HA3 GLY 29 HA1 GLY 29 -13.097 -6.162 4.784 327 H PHE 30 HN PHE 30 -15.307 -6.599 2.845 328 HA PHE 30 HA PHE 30 -17.474 -5.900 4.626 329 HB2 PHE 30 HB2 PHE 30 -17.365 -6.121 1.610 330 HB3 PHE 30 HB1 PHE 30 -18.764 -5.560 2.517 331 HD1 PHE 30 HD1 PHE 30 -16.113 -4.479 0.632 332 HD2 PHE 30 HD2 PHE 30 -18.049 -3.657 4.324 333 HE1 PHE 30 HE1 PHE 30 -15.218 -2.188 0.589 334 HE2 PHE 30 HE2 PHE 30 -17.160 -1.365 4.289 335 HZ PHE 30 HZ PHE 30 -15.743 -0.628 2.418 336 H ILE 31 HN ILE 31 -16.245 -8.721 3.312 337 HA ILE 31 HA ILE 31 -18.821 -10.107 3.328 338 HB ILE 31 HB ILE 31 -16.100 -11.142 2.514 339 HG12 ILE 31 HG12 ILE 31 -18.385 -10.177 0.782 340 HG13 ILE 31 HG11 ILE 31 -16.906 -9.275 1.091 341 HG21 ILE 31 HG21 ILE 31 -18.860 -12.277 2.084 342 HG22 ILE 31 HG22 ILE 31 -17.634 -12.904 3.188 343 HG23 ILE 31 HG23 ILE 31 -17.359 -12.950 1.446 344 HD11 ILE 31 HD11 ILE 31 -17.111 -11.918 -0.330 345 HD12 ILE 31 HD12 ILE 31 -15.612 -11.054 0.013 346 HD13 ILE 31 HD13 ILE 31 -16.811 -10.345 -1.071 347 H GLN 32 HN GLN 32 -15.618 -10.196 4.793 348 HA GLN 32 HA GLN 32 -16.110 -12.467 6.421 349 HB2 GLN 32 HB2 GLN 32 -14.008 -10.314 6.558 350 HB3 GLN 32 HB1 GLN 32 -13.996 -11.768 7.550 351 HG2 GLN 32 HG2 GLN 32 -13.921 -13.127 5.506 352 HG3 GLN 32 HG1 GLN 32 -13.859 -11.653 4.545 353 HE21 GLN 32 HE21 GLN 32 -12.143 -13.695 6.773 354 HE22 GLN 32 HE22 GLN 32 -10.573 -13.031 6.485 355 H ASP 33 HN ASP 33 -16.556 -9.029 6.889 356 HA ASP 33 HA ASP 33 -17.224 -9.362 9.684 357 HB2 ASP 33 HB2 ASP 33 -16.891 -7.089 7.800 358 HB3 ASP 33 HB1 ASP 33 -17.991 -6.863 9.138 359 HA PRO 34 HA PRO 34 -21.388 -10.557 8.426 360 HB2 PRO 34 HB2 PRO 34 -21.886 -10.296 11.328 361 HB3 PRO 34 HB1 PRO 34 -22.163 -11.674 10.261 362 HG2 PRO 34 HG2 PRO 34 -20.158 -11.652 12.038 363 HG3 PRO 34 HG1 PRO 34 -19.995 -12.430 10.454 364 HD2 PRO 34 HD2 PRO 34 -18.918 -9.813 11.405 365 HD3 PRO 34 HD1 PRO 34 -18.187 -11.009 10.315 366 H ASP 35 HN ASP 35 -20.518 -7.953 10.601 367 HA ASP 35 HA ASP 35 -22.922 -6.498 10.604 368 HB2 ASP 35 HB2 ASP 35 -20.118 -5.345 10.603 369 HB3 ASP 35 HB1 ASP 35 -21.580 -4.573 11.216 370 H LEU 36 HN LEU 36 -20.048 -6.193 8.583 371 HA LEU 36 HA LEU 36 -21.105 -4.163 6.932 372 HB2 LEU 36 HB2 LEU 36 -18.728 -6.000 6.759 373 HB3 LEU 36 HB1 LEU 36 -19.034 -4.722 5.606 374 HG LEU 36 HG LEU 36 -17.381 -4.379 7.577 375 HD11 LEU 36 HD11 LEU 36 -17.969 -1.946 7.610 376 HD12 LEU 36 HD12 LEU 36 -19.433 -2.366 6.715 377 HD13 LEU 36 HD13 LEU 36 -17.846 -2.648 5.998 378 HD21 LEU 36 HD21 LEU 36 -18.673 -4.887 9.455 379 HD22 LEU 36 HD22 LEU 36 -19.959 -3.790 8.949 380 HD23 LEU 36 HD23 LEU 36 -18.401 -3.144 9.466 381 H LYS 37 HN LYS 37 -20.893 -7.652 6.749 382 HA LYS 37 HA LYS 37 -21.418 -8.065 4.045 383 HB2 LYS 37 HB2 LYS 37 -20.733 -9.853 5.596 384 HB3 LYS 37 HB1 LYS 37 -22.294 -9.759 6.396 385 HG2 LYS 37 HG2 LYS 37 -22.290 -11.645 4.927 386 HG3 LYS 37 HG1 LYS 37 -23.376 -10.420 4.269 387 HD2 LYS 37 HD2 LYS 37 -21.473 -9.673 2.803 388 HD3 LYS 37 HD1 LYS 37 -20.584 -11.096 3.349 389 HE2 LYS 37 HE2 LYS 37 -23.227 -11.080 1.897 390 HE3 LYS 37 HE1 LYS 37 -21.665 -11.525 1.216 391 HZ1 LYS 37 HZ1 LYS 37 -22.967 -13.464 1.810 392 HZ2 LYS 37 HZ2 LYS 37 -23.054 -12.950 3.418 393 HZ3 LYS 37 HZ3 LYS 37 -21.563 -13.384 2.752 394 H LYS 38 HN LYS 38 -23.516 -7.181 6.652 395 HA LYS 38 HA LYS 38 -26.031 -7.707 5.652 396 HB2 LYS 38 HB2 LYS 38 -25.124 -5.223 7.108 397 HB3 LYS 38 HB1 LYS 38 -26.788 -5.782 6.973 398 HG2 LYS 38 HG2 LYS 38 -26.062 -7.878 8.148 399 HG3 LYS 38 HG1 LYS 38 -24.513 -7.074 8.441 400 HD2 LYS 38 HD2 LYS 38 -25.654 -5.287 9.630 401 HD3 LYS 38 HD1 LYS 38 -27.210 -6.053 9.312 402 HE2 LYS 38 HE2 LYS 38 -26.543 -7.994 10.611 403 HE3 LYS 38 HE1 LYS 38 -24.955 -7.284 10.889 404 HZ1 LYS 38 HZ1 LYS 38 -27.496 -6.043 11.776 405 HZ2 LYS 38 HZ2 LYS 38 -25.929 -5.554 12.177 406 HZ3 LYS 38 HZ3 LYS 38 -26.532 -7.023 12.761 407 H ARG 39 HN ARG 39 -24.010 -4.846 5.091 408 HA ARG 39 HA ARG 39 -25.973 -3.665 3.340 409 HB2 ARG 39 HB2 ARG 39 -24.448 -2.402 4.936 410 HB3 ARG 39 HB1 ARG 39 -23.137 -2.743 3.817 411 HG2 ARG 39 HG2 ARG 39 -24.048 -0.505 3.498 412 HG3 ARG 39 HG1 ARG 39 -24.277 -1.513 2.067 413 HD2 ARG 39 HD2 ARG 39 -26.265 -0.141 2.657 414 HD3 ARG 39 HD1 ARG 39 -26.587 -1.874 2.620 415 HE ARG 39 HE ARG 39 -25.902 -0.892 5.234 416 HH11 ARG 39 HH11 ARG 39 -28.517 -1.304 2.939 417 HH12 ARG 39 HH12 ARG 39 -29.742 -1.375 4.164 418 HH21 ARG 39 HH21 ARG 39 -27.531 -0.976 6.843 419 HH22 ARG 39 HH22 ARG 39 -29.188 -1.175 6.371 420 H PHE 40 HN PHE 40 -23.105 -5.554 3.098 421 HA PHE 40 HA PHE 40 -22.431 -5.088 0.399 422 HB2 PHE 40 HB2 PHE 40 -20.996 -6.183 2.135 423 HB3 PHE 40 HB1 PHE 40 -22.033 -7.597 2.035 424 HD1 PHE 40 HD1 PHE 40 -21.472 -9.306 0.598 425 HD2 PHE 40 HD2 PHE 40 -19.928 -5.406 -0.110 426 HE1 PHE 40 HE1 PHE 40 -20.070 -10.194 -1.218 427 HE2 PHE 40 HE2 PHE 40 -18.529 -6.286 -1.928 428 HZ PHE 40 HZ PHE 40 -18.596 -8.682 -2.484 429 H ASP 41 HN ASP 41 -24.524 -7.473 1.976 430 HA ASP 41 HA ASP 41 -25.263 -8.735 -0.497 431 HB2 ASP 41 HB2 ASP 41 -25.238 -9.953 1.661 432 HB3 ASP 41 HB1 ASP 41 -26.563 -8.942 2.228 433 H GLU 42 HN GLU 42 -26.510 -6.137 1.473 434 HA GLU 42 HA GLU 42 -29.103 -5.926 0.464 435 HB2 GLU 42 HB2 GLU 42 -27.172 -3.852 1.479 436 HB3 GLU 42 HB1 GLU 42 -28.788 -3.429 0.942 437 HG2 GLU 42 HG2 GLU 42 -28.185 -5.407 3.123 438 HG3 GLU 42 HG1 GLU 42 -28.591 -3.712 3.386 439 H ILE 43 HN ILE 43 -26.060 -4.637 -0.794 440 HA ILE 43 HA ILE 43 -27.427 -3.390 -3.035 441 HB ILE 43 HB ILE 43 -24.445 -3.568 -2.556 442 HG12 ILE 43 HG12 ILE 43 -25.427 -2.575 -0.584 443 HG13 ILE 43 HG11 ILE 43 -24.668 -1.308 -1.538 444 HG21 ILE 43 HG21 ILE 43 -25.054 -2.872 -4.808 445 HG22 ILE 43 HG22 ILE 43 -24.348 -1.527 -3.908 446 HG23 ILE 43 HG23 ILE 43 -26.095 -1.608 -4.150 447 HD11 ILE 43 HD11 ILE 43 -26.876 -0.682 -2.421 448 HD12 ILE 43 HD12 ILE 43 -26.769 -0.534 -0.667 449 HD13 ILE 43 HD13 ILE 43 -27.609 -1.909 -1.386 450 H LYS 44 HN LYS 44 -26.555 -6.423 -2.299 451 HA LYS 44 HA LYS 44 -26.168 -8.360 -3.411 452 HB2 LYS 44 HB2 LYS 44 -27.371 -6.788 -5.697 453 HB3 LYS 44 HB1 LYS 44 -27.136 -8.529 -5.691 454 HG2 LYS 44 HG2 LYS 44 -28.857 -7.026 -3.729 455 HG3 LYS 44 HG1 LYS 44 -29.451 -7.844 -5.173 456 HD2 LYS 44 HD2 LYS 44 -27.937 -9.211 -2.951 457 HD3 LYS 44 HD1 LYS 44 -29.694 -9.165 -3.068 458 HE2 LYS 44 HE2 LYS 44 -27.844 -10.322 -5.148 459 HE3 LYS 44 HE1 LYS 44 -28.727 -11.258 -3.949 460 HZ1 LYS 44 HZ1 LYS 44 -30.796 -10.478 -4.899 461 HZ2 LYS 44 HZ2 LYS 44 -29.856 -11.227 -6.086 462 HZ3 LYS 44 HZ3 LYS 44 -29.958 -9.544 -6.034 463 H MET 45 HN MET 45 -23.992 -6.654 -3.187 464 HA MET 45 HA MET 45 -22.680 -6.579 -5.789 465 HB2 MET 45 HB2 MET 45 -22.595 -4.573 -4.408 466 HB3 MET 45 HB1 MET 45 -21.884 -5.485 -3.082 467 HG2 MET 45 HG2 MET 45 -19.829 -5.629 -4.111 468 HG3 MET 45 HG1 MET 45 -20.497 -5.368 -5.721 469 HE1 MET 45 HE1 MET 45 -21.552 -3.289 -2.622 470 HE2 MET 45 HE2 MET 45 -20.329 -2.020 -2.573 471 HE3 MET 45 HE3 MET 45 -19.880 -3.689 -2.225 472 H THR 46 HN THR 46 -20.705 -7.606 -6.196 473 HA THR 46 HA THR 46 -20.047 -9.778 -4.324 474 HB THR 46 HB THR 46 -19.245 -11.020 -6.374 475 HG1 THR 46 HG1 THR 46 -20.911 -9.707 -8.077 476 HG21 THR 46 HG21 THR 46 -22.183 -10.344 -6.212 477 HG22 THR 46 HG22 THR 46 -21.351 -11.601 -5.298 478 HG23 THR 46 HG23 THR 46 -21.502 -11.738 -7.049 479 H TYR 47 HN TYR 47 -17.772 -10.614 -4.681 480 HA TYR 47 HA TYR 47 -15.908 -8.715 -4.015 481 HB2 TYR 47 HB2 TYR 47 -15.471 -11.030 -3.593 482 HB3 TYR 47 HB1 TYR 47 -15.549 -11.421 -5.307 483 HD1 TYR 47 HD1 TYR 47 -13.685 -11.054 -6.751 484 HD2 TYR 47 HD2 TYR 47 -13.483 -9.898 -2.654 485 HE1 TYR 47 HE1 TYR 47 -11.262 -10.759 -6.966 486 HE2 TYR 47 HE2 TYR 47 -11.048 -9.598 -2.864 487 HH TYR 47 HH TYR 47 -9.194 -10.347 -4.295 488 H GLU 48 HN GLU 48 -16.442 -10.112 -7.241 489 HA GLU 48 HA GLU 48 -14.326 -8.702 -8.467 490 HB2 GLU 48 HB2 GLU 48 -16.765 -9.978 -9.697 491 HB3 GLU 48 HB1 GLU 48 -15.354 -9.427 -10.591 492 HG2 GLU 48 HG2 GLU 48 -13.972 -11.016 -9.294 493 HG3 GLU 48 HG1 GLU 48 -15.444 -11.616 -8.530 494 H GLN 49 HN GLN 49 -17.577 -7.821 -7.712 495 HA GLN 49 HA GLN 49 -17.733 -5.631 -9.554 496 HB2 GLN 49 HB2 GLN 49 -19.782 -6.634 -8.733 497 HB3 GLN 49 HB1 GLN 49 -19.326 -6.289 -7.072 498 HG2 GLN 49 HG2 GLN 49 -20.941 -4.678 -7.686 499 HG3 GLN 49 HG1 GLN 49 -19.379 -3.857 -7.656 500 HE21 GLN 49 HE21 GLN 49 -18.446 -3.189 -9.577 501 HE22 GLN 49 HE22 GLN 49 -19.350 -3.074 -11.050 502 H CYS 50 HN CYS 50 -16.718 -6.093 -6.217 503 HA CYS 50 HA CYS 50 -16.519 -3.346 -5.540 504 HB2 CYS 50 HB2 CYS 50 -14.818 -5.536 -4.371 505 HB3 CYS 50 HB1 CYS 50 -15.331 -4.039 -3.605 506 H VAL 51 HN VAL 51 -14.201 -5.698 -6.833 507 HA VAL 51 HA VAL 51 -11.950 -4.074 -6.320 508 HB VAL 51 HB VAL 51 -10.706 -5.635 -7.816 509 HG11 VAL 51 HG11 VAL 51 -12.415 -6.864 -5.660 510 HG12 VAL 51 HG12 VAL 51 -10.877 -6.028 -5.431 511 HG13 VAL 51 HG13 VAL 51 -10.930 -7.557 -6.311 512 HG21 VAL 51 HG21 VAL 51 -11.870 -7.666 -8.568 513 HG22 VAL 51 HG22 VAL 51 -12.479 -6.213 -9.359 514 HG23 VAL 51 HG23 VAL 51 -13.402 -6.959 -8.055 515 H THR 52 HN THR 52 -14.230 -3.891 -8.863 516 HA THR 52 HA THR 52 -12.345 -2.408 -10.520 517 HB THR 52 HB THR 52 -13.920 -3.889 -11.670 518 HG1 THR 52 HG1 THR 52 -14.358 -2.459 -13.269 519 HG21 THR 52 HG21 THR 52 -16.302 -3.337 -11.796 520 HG22 THR 52 HG22 THR 52 -16.066 -2.054 -10.610 521 HG23 THR 52 HG23 THR 52 -15.817 -3.738 -10.148 522 H LEU 53 HN LEU 53 -14.452 -1.855 -7.967 523 HA LEU 53 HA LEU 53 -14.897 0.962 -8.653 524 HB2 LEU 53 HB2 LEU 53 -16.228 -1.003 -6.899 525 HB3 LEU 53 HB1 LEU 53 -16.159 0.636 -6.286 526 HG LEU 53 HG LEU 53 -17.361 1.456 -8.231 527 HD11 LEU 53 HD11 LEU 53 -17.421 -1.415 -9.146 528 HD12 LEU 53 HD12 LEU 53 -16.514 -0.105 -9.902 529 HD13 LEU 53 HD13 LEU 53 -18.277 -0.068 -9.897 530 HD21 LEU 53 HD21 LEU 53 -19.510 0.352 -7.818 531 HD22 LEU 53 HD22 LEU 53 -18.649 0.691 -6.317 532 HD23 LEU 53 HD23 LEU 53 -18.674 -0.949 -6.967 533 H ILE 54 HN ILE 54 -13.300 -1.117 -6.323 534 HA ILE 54 HA ILE 54 -12.597 0.756 -4.397 535 HB ILE 54 HB ILE 54 -10.957 -1.625 -5.264 536 HG12 ILE 54 HG12 ILE 54 -13.283 -2.187 -4.611 537 HG13 ILE 54 HG11 ILE 54 -12.097 -2.832 -3.483 538 HG21 ILE 54 HG21 ILE 54 -10.069 -1.508 -2.945 539 HG22 ILE 54 HG22 ILE 54 -10.909 0.028 -2.744 540 HG23 ILE 54 HG23 ILE 54 -9.625 -0.125 -3.940 541 HD11 ILE 54 HD11 ILE 54 -12.554 -0.952 -1.972 542 HD12 ILE 54 HD12 ILE 54 -13.976 -1.947 -2.284 543 HD13 ILE 54 HD13 ILE 54 -13.796 -0.388 -3.088 544 HA PRO 55 HA PRO 55 -8.501 1.563 -7.186 545 HB2 PRO 55 HB2 PRO 55 -10.103 1.559 -9.708 546 HB3 PRO 55 HB1 PRO 55 -8.398 1.166 -9.458 547 HG2 PRO 55 HG2 PRO 55 -10.169 -0.777 -9.795 548 HG3 PRO 55 HG1 PRO 55 -8.875 -0.939 -8.591 549 HD2 PRO 55 HD2 PRO 55 -11.771 -0.344 -8.195 550 HD3 PRO 55 HD1 PRO 55 -10.668 -1.303 -7.192 551 H GLU 56 HN GLU 56 -11.789 2.662 -7.411 552 HA GLU 56 HA GLU 56 -11.151 5.305 -8.338 553 HB2 GLU 56 HB2 GLU 56 -13.629 4.306 -6.917 554 HB3 GLU 56 HB1 GLU 56 -13.469 5.858 -7.720 555 HG2 GLU 56 HG2 GLU 56 -13.438 3.139 -9.006 556 HG3 GLU 56 HG1 GLU 56 -14.702 4.361 -9.121 557 H SER 57 HN SER 57 -11.587 3.714 -5.247 558 HA SER 57 HA SER 57 -11.354 6.213 -3.792 559 HB2 SER 57 HB2 SER 57 -11.716 3.375 -2.817 560 HB3 SER 57 HB1 SER 57 -11.791 4.821 -1.810 561 HG SER 57 HG SER 57 -13.678 5.397 -2.725 562 H THR 58 HN THR 58 -9.381 3.478 -4.688 563 HA THR 58 HA THR 58 -7.362 3.641 -2.761 564 HB THR 58 HB THR 58 -5.830 2.726 -4.532 565 HG1 THR 58 HG1 THR 58 -6.468 2.646 -6.567 566 HG21 THR 58 HG21 THR 58 -8.502 1.351 -4.297 567 HG22 THR 58 HG22 THR 58 -7.177 1.224 -3.142 568 HG23 THR 58 HG23 THR 58 -6.986 0.586 -4.778 569 H LYS 59 HN LYS 59 -7.463 5.136 -5.973 570 HA LYS 59 HA LYS 59 -5.172 6.731 -5.660 571 HB2 LYS 59 HB2 LYS 59 -6.101 6.227 -7.844 572 HB3 LYS 59 HB1 LYS 59 -7.589 7.069 -7.445 573 HG2 LYS 59 HG2 LYS 59 -6.110 8.351 -8.937 574 HG3 LYS 59 HG1 LYS 59 -6.450 9.182 -7.417 575 HD2 LYS 59 HD2 LYS 59 -4.290 8.507 -6.536 576 HD3 LYS 59 HD1 LYS 59 -3.956 7.591 -8.010 577 HE2 LYS 59 HE2 LYS 59 -3.873 9.573 -9.317 578 HE3 LYS 59 HE1 LYS 59 -4.506 10.549 -7.992 579 HZ1 LYS 59 HZ1 LYS 59 -2.507 10.310 -6.795 580 HZ2 LYS 59 HZ2 LYS 59 -2.060 10.711 -8.380 581 HZ3 LYS 59 HZ3 LYS 59 -1.922 9.115 -7.844 582 H LYS 60 HN LYS 60 -8.548 7.277 -4.909 583 HA LYS 60 HA LYS 60 -8.442 10.034 -4.413 584 HB2 LYS 60 HB2 LYS 60 -10.538 8.773 -4.665 585 HB3 LYS 60 HB1 LYS 60 -10.217 7.934 -3.155 586 HG2 LYS 60 HG2 LYS 60 -10.275 10.146 -2.006 587 HG3 LYS 60 HG1 LYS 60 -10.805 10.857 -3.531 588 HD2 LYS 60 HD2 LYS 60 -12.230 8.624 -2.088 589 HD3 LYS 60 HD1 LYS 60 -12.675 10.330 -1.982 590 HE2 LYS 60 HE2 LYS 60 -13.069 10.355 -4.409 591 HE3 LYS 60 HE1 LYS 60 -12.653 8.643 -4.485 592 HZ1 LYS 60 HZ1 LYS 60 -14.515 8.171 -2.999 593 HZ2 LYS 60 HZ2 LYS 60 -15.037 8.941 -4.417 594 HZ3 LYS 60 HZ3 LYS 60 -14.925 9.815 -2.975 595 H CYS 61 HN CYS 61 -8.285 7.314 -2.110 596 HA CYS 61 HA CYS 61 -7.647 9.028 0.085 597 HB2 CYS 61 HB2 CYS 61 -7.565 6.026 -0.207 598 HB3 CYS 61 HB1 CYS 61 -7.263 6.876 1.305 599 H GLN 62 HN GLN 62 -5.805 7.490 -2.361 600 HA GLN 62 HA GLN 62 -3.323 7.249 -1.095 601 HB2 GLN 62 HB2 GLN 62 -3.678 6.294 -3.278 602 HB3 GLN 62 HB1 GLN 62 -4.014 7.877 -3.967 603 HG2 GLN 62 HG2 GLN 62 -1.704 8.551 -3.522 604 HG3 GLN 62 HG1 GLN 62 -1.372 6.949 -2.859 605 HE21 GLN 62 HE21 GLN 62 -0.220 8.377 -5.161 606 HE22 GLN 62 HE22 GLN 62 -0.428 7.321 -6.516 607 H ASP 63 HN ASP 63 -4.505 9.930 -3.140 608 HA ASP 63 HA ASP 63 -2.302 11.604 -2.602 609 HB2 ASP 63 HB2 ASP 63 -4.978 11.982 -3.849 610 HB3 ASP 63 HB1 ASP 63 -4.092 13.422 -3.355 611 H GLU 64 HN GLU 64 -5.077 10.881 -0.738 612 HA GLU 64 HA GLU 64 -5.211 13.181 0.892 613 HB2 GLU 64 HB2 GLU 64 -5.810 10.280 1.532 614 HB3 GLU 64 HB1 GLU 64 -6.202 11.628 2.587 615 HG2 GLU 64 HG2 GLU 64 -7.271 11.234 -0.197 616 HG3 GLU 64 HG1 GLU 64 -8.131 10.860 1.298 617 H LEU 65 HN LEU 65 -3.717 10.047 1.559 618 HA LEU 65 HA LEU 65 -2.348 11.121 3.856 619 HB2 LEU 65 HB2 LEU 65 -2.310 8.350 2.669 620 HB3 LEU 65 HB1 LEU 65 -1.673 8.806 4.239 621 HG LEU 65 HG LEU 65 -4.552 9.330 3.610 622 HD11 LEU 65 HD11 LEU 65 -4.263 7.028 3.002 623 HD12 LEU 65 HD12 LEU 65 -5.111 7.129 4.544 624 HD13 LEU 65 HD13 LEU 65 -3.401 6.699 4.503 625 HD21 LEU 65 HD21 LEU 65 -4.792 9.045 6.015 626 HD22 LEU 65 HD22 LEU 65 -3.576 10.268 5.645 627 HD23 LEU 65 HD23 LEU 65 -3.078 8.654 6.151 628 H TYR 66 HN TYR 66 -1.550 10.283 0.575 629 HA TYR 66 HA TYR 66 1.158 9.882 0.574 630 HB2 TYR 66 HB2 TYR 66 -0.151 9.821 -1.457 631 HB3 TYR 66 HB1 TYR 66 -0.496 11.539 -1.342 632 HD1 TYR 66 HD1 TYR 66 1.024 13.152 -2.209 633 HD2 TYR 66 HD2 TYR 66 2.169 9.066 -1.999 634 HE1 TYR 66 HE1 TYR 66 2.978 13.634 -3.620 635 HE2 TYR 66 HE2 TYR 66 4.125 9.533 -3.408 636 HH TYR 66 HH TYR 66 4.829 11.207 -5.078 637 H ALA 67 HN ALA 67 -0.515 12.943 1.023 638 HA ALA 67 HA ALA 67 1.701 14.656 0.795 639 HB1 ALA 67 HB1 ALA 67 0.325 16.311 1.894 640 HB2 ALA 67 HB2 ALA 67 -0.776 15.058 2.463 641 HB3 ALA 67 HB3 ALA 67 -0.647 15.400 0.738 642 H SER 68 HN SER 68 0.457 12.779 3.480 643 HA SER 68 HA SER 68 2.266 14.054 5.370 644 HB2 SER 68 HB2 SER 68 0.348 11.766 5.858 645 HB3 SER 68 HB1 SER 68 1.067 12.837 7.061 646 HG SER 68 HG SER 68 -0.077 14.562 5.795 647 H MET 69 HN MET 69 2.086 11.257 3.387 648 HA MET 69 HA MET 69 3.653 9.424 4.815 649 HB2 MET 69 HB2 MET 69 3.240 9.812 1.850 650 HB3 MET 69 HB1 MET 69 4.115 8.453 2.532 651 HG2 MET 69 HG2 MET 69 2.146 7.685 3.669 652 HG3 MET 69 HG1 MET 69 1.253 9.118 3.167 653 HE1 MET 69 HE1 MET 69 3.789 6.955 1.075 654 HE2 MET 69 HE2 MET 69 2.697 5.834 0.265 655 HE3 MET 69 HE3 MET 69 2.908 5.750 2.013 656 HA PRO 70 HA PRO 70 7.726 11.170 4.507 657 HB2 PRO 70 HB2 PRO 70 9.132 8.971 5.201 658 HB3 PRO 70 HB1 PRO 70 8.180 9.890 6.374 659 HG2 PRO 70 HG2 PRO 70 7.482 7.352 4.938 660 HG3 PRO 70 HG1 PRO 70 7.238 7.776 6.645 661 HD2 PRO 70 HD2 PRO 70 5.259 7.911 4.795 662 HD3 PRO 70 HD1 PRO 70 5.336 8.983 6.206 663 H ASP 71 HN ASP 71 9.946 10.365 3.539 664 HA ASP 71 HA ASP 71 9.613 10.172 0.765 665 HB2 ASP 71 HB2 ASP 71 11.646 11.076 1.887 666 HB3 ASP 71 HB1 ASP 71 12.089 9.430 2.334 667 H LYS 72 HN LYS 72 10.796 7.708 3.040 668 HA LYS 72 HA LYS 72 10.081 5.692 1.034 669 HB2 LYS 72 HB2 LYS 72 12.113 5.481 3.253 670 HB3 LYS 72 HB1 LYS 72 11.691 4.190 2.141 671 HG2 LYS 72 HG2 LYS 72 12.455 5.733 0.282 672 HG3 LYS 72 HG1 LYS 72 13.130 6.756 1.551 673 HD2 LYS 72 HD2 LYS 72 14.530 4.957 2.333 674 HD3 LYS 72 HD1 LYS 72 13.785 3.833 1.197 675 HE2 LYS 72 HE2 LYS 72 14.660 5.167 -0.669 676 HE3 LYS 72 HE1 LYS 72 15.431 6.255 0.482 677 HZ1 LYS 72 HZ1 LYS 72 16.010 3.349 0.276 678 HZ2 LYS 72 HZ2 LYS 72 16.814 4.472 1.251 679 HZ3 LYS 72 HZ3 LYS 72 16.950 4.564 -0.431 680 H ILE 73 HN ILE 73 9.314 3.648 1.856 681 HA ILE 73 HA ILE 73 7.754 3.964 4.336 682 HB ILE 73 HB ILE 73 6.976 2.463 1.829 683 HG12 ILE 73 HG12 ILE 73 6.846 4.903 1.542 684 HG13 ILE 73 HG11 ILE 73 5.245 4.172 1.547 685 HG21 ILE 73 HG21 ILE 73 4.818 2.130 2.930 686 HG22 ILE 73 HG22 ILE 73 5.423 2.946 4.372 687 HG23 ILE 73 HG23 ILE 73 6.129 1.411 3.865 688 HD11 ILE 73 HD11 ILE 73 5.250 6.240 2.794 689 HD12 ILE 73 HD12 ILE 73 6.539 5.637 3.833 690 HD13 ILE 73 HD13 ILE 73 4.948 4.878 3.873 691 H ASN 74 HN ASN 74 8.678 2.705 5.816 692 HA ASN 74 HA ASN 74 10.071 0.274 5.067 693 HB2 ASN 74 HB2 ASN 74 10.758 2.051 6.861 694 HB3 ASN 74 HB1 ASN 74 9.620 1.193 7.893 695 HD21 ASN 74 HD21 ASN 74 12.614 1.010 6.152 696 HD22 ASN 74 HD22 ASN 74 13.221 -0.404 6.950 697 H SER 75 HN SER 75 9.617 -1.586 6.891 698 HA SER 75 HA SER 75 7.167 -2.698 6.163 699 HB2 SER 75 HB2 SER 75 7.637 -4.294 8.104 700 HB3 SER 75 HB1 SER 75 8.883 -4.175 6.861 701 HG SER 75 HG SER 75 9.025 -3.590 9.505 702 H GLU 76 HN GLU 76 8.097 -1.177 9.239 703 HA GLU 76 HA GLU 76 5.585 -1.362 10.492 704 HB2 GLU 76 HB2 GLU 76 7.653 -0.851 11.709 705 HB3 GLU 76 HB1 GLU 76 7.786 0.684 10.863 706 HG2 GLU 76 HG2 GLU 76 5.659 1.394 11.904 707 HG3 GLU 76 HG1 GLU 76 5.643 -0.112 12.821 708 H THR 77 HN THR 77 7.021 1.072 8.406 709 HA THR 77 HA THR 77 5.077 3.085 8.720 710 HB THR 77 HB THR 77 6.644 2.685 6.187 711 HG1 THR 77 HG1 THR 77 7.657 3.558 8.715 712 HG21 THR 77 HG21 THR 77 6.859 5.125 6.318 713 HG22 THR 77 HG22 THR 77 5.962 5.119 7.835 714 HG23 THR 77 HG23 THR 77 5.169 4.628 6.341 715 H ALA 78 HN ALA 78 5.449 0.392 6.503 716 HA ALA 78 HA ALA 78 3.388 0.909 4.709 717 HB1 ALA 78 HB1 ALA 78 5.070 -0.816 4.365 718 HB2 ALA 78 HB2 ALA 78 3.447 -1.499 4.248 719 HB3 ALA 78 HB3 ALA 78 4.407 -1.747 5.707 720 H GLY 79 HN GLY 79 3.343 -0.790 7.818 721 HA2 GLY 79 HA2 GLY 79 0.627 -1.562 7.734 722 HA3 GLY 79 HA1 GLY 79 1.607 -1.410 9.187 723 H THR 80 HN THR 80 2.249 1.298 9.016 724 HA THR 80 HA THR 80 0.109 2.486 10.338 725 HB THR 80 HB THR 80 2.305 3.950 8.863 726 HG1 THR 80 HG1 THR 80 3.512 3.665 10.761 727 HG21 THR 80 HG21 THR 80 0.711 4.672 11.326 728 HG22 THR 80 HG22 THR 80 0.518 5.387 9.726 729 HG23 THR 80 HG23 THR 80 2.016 5.629 10.625 730 H TRP 81 HN TRP 81 1.173 2.952 6.957 731 HA TRP 81 HA TRP 81 -1.069 4.737 6.501 732 HB2 TRP 81 HB2 TRP 81 1.095 3.800 4.609 733 HB3 TRP 81 HB1 TRP 81 -0.106 5.042 4.253 734 HD1 TRP 81 HD1 TRP 81 3.283 4.612 5.690 735 HE1 TRP 81 HE1 TRP 81 4.093 6.811 6.767 736 HE3 TRP 81 HE3 TRP 81 -1.128 7.186 5.688 737 HZ2 TRP 81 HZ2 TRP 81 3.001 9.305 7.506 738 HZ3 TRP 81 HZ3 TRP 81 -1.163 9.471 6.592 739 HH2 TRP 81 HH2 TRP 81 0.860 10.507 7.487 740 H GLY 82 HN GLY 82 -0.215 1.426 5.870 741 HA2 GLY 82 HA2 GLY 82 -2.019 0.861 3.795 742 HA3 GLY 82 HA1 GLY 82 -1.415 -0.307 4.963 743 H ARG 83 HN ARG 83 -2.435 0.521 7.316 744 HA ARG 83 HA ARG 83 -5.134 -0.274 7.209 745 HB2 ARG 83 HB2 ARG 83 -5.241 0.414 9.582 746 HB3 ARG 83 HB1 ARG 83 -3.832 -0.578 9.236 747 HG2 ARG 83 HG2 ARG 83 -2.398 1.334 9.272 748 HG3 ARG 83 HG1 ARG 83 -3.781 2.423 9.389 749 HD2 ARG 83 HD2 ARG 83 -3.087 0.348 11.457 750 HD3 ARG 83 HD1 ARG 83 -2.576 2.034 11.539 751 HE ARG 83 HE ARG 83 -5.424 1.623 11.243 752 HH11 ARG 83 HH11 ARG 83 -2.761 2.009 13.476 753 HH12 ARG 83 HH12 ARG 83 -3.757 2.621 14.758 754 HH21 ARG 83 HH21 ARG 83 -6.739 2.436 12.919 755 HH22 ARG 83 HH22 ARG 83 -6.020 2.876 14.436 756 H SER 84 HN SER 84 -3.601 2.882 7.260 757 HA SER 84 HA SER 84 -5.913 4.420 7.734 758 HB2 SER 84 HB2 SER 84 -3.363 5.194 6.293 759 HB3 SER 84 HB1 SER 84 -4.566 6.317 6.925 760 HG SER 84 HG SER 84 -2.676 4.762 8.284 761 H LEU 85 HN LEU 85 -4.312 3.400 4.720 762 HA LEU 85 HA LEU 85 -6.153 4.592 2.949 763 HB2 LEU 85 HB2 LEU 85 -4.446 2.117 2.673 764 HB3 LEU 85 HB1 LEU 85 -5.419 2.761 1.364 765 HG LEU 85 HG LEU 85 -3.175 4.259 2.725 766 HD11 LEU 85 HD11 LEU 85 -2.350 2.323 1.482 767 HD12 LEU 85 HD12 LEU 85 -1.922 3.830 0.674 768 HD13 LEU 85 HD13 LEU 85 -3.251 2.847 0.061 769 HD21 LEU 85 HD21 LEU 85 -4.948 5.675 1.738 770 HD22 LEU 85 HD22 LEU 85 -4.704 4.864 0.193 771 HD23 LEU 85 HD23 LEU 85 -3.407 5.830 0.896 772 H GLY 86 HN GLY 86 -6.025 1.381 4.427 773 HA2 GLY 86 HA2 GLY 86 -8.221 0.254 3.141 774 HA3 GLY 86 HA1 GLY 86 -7.611 -0.240 4.709 775 H GLU 87 HN GLU 87 -8.149 1.912 6.305 776 HA GLU 87 HA GLU 87 -10.920 1.543 6.776 777 HB2 GLU 87 HB2 GLU 87 -10.632 3.170 8.591 778 HB3 GLU 87 HB1 GLU 87 -9.370 1.949 8.606 779 HG2 GLU 87 HG2 GLU 87 -7.853 3.544 7.503 780 HG3 GLU 87 HG1 GLU 87 -9.120 4.768 7.582 781 H CYS 88 HN CYS 88 -9.054 4.175 5.341 782 HA CYS 88 HA CYS 88 -11.161 6.025 5.091 783 HB2 CYS 88 HB2 CYS 88 -8.861 6.731 4.808 784 HB3 CYS 88 HB1 CYS 88 -8.657 5.647 3.437 785 H ILE 89 HN ILE 89 -9.849 3.659 2.787 786 HA ILE 89 HA ILE 89 -11.707 4.184 0.729 787 HB ILE 89 HB ILE 89 -10.087 1.704 1.313 788 HG12 ILE 89 HG12 ILE 89 -9.638 3.880 -0.738 789 HG13 ILE 89 HG11 ILE 89 -8.858 3.850 0.841 790 HG21 ILE 89 HG21 ILE 89 -10.530 1.067 -1.012 791 HG22 ILE 89 HG22 ILE 89 -11.611 2.449 -1.179 792 HG23 ILE 89 HG23 ILE 89 -12.015 1.147 -0.063 793 HD11 ILE 89 HD11 ILE 89 -7.361 2.991 -0.824 794 HD12 ILE 89 HD12 ILE 89 -8.563 1.810 -1.348 795 HD13 ILE 89 HD13 ILE 89 -7.844 1.686 0.259 796 H GLY 90 HN GLY 90 -11.669 1.831 3.374 797 HA2 GLY 90 HA2 GLY 90 -13.933 0.356 2.707 798 HA3 GLY 90 HA1 GLY 90 -13.364 0.635 4.345 799 H LYS 91 HN LYS 91 -13.666 3.518 4.157 800 HA LYS 91 HA LYS 91 -16.492 3.659 4.760 801 HB2 LYS 91 HB2 LYS 91 -14.283 5.705 4.902 802 HB3 LYS 91 HB1 LYS 91 -15.956 6.056 5.304 803 HG2 LYS 91 HG2 LYS 91 -15.886 4.381 7.079 804 HG3 LYS 91 HG1 LYS 91 -14.203 4.029 6.674 805 HD2 LYS 91 HD2 LYS 91 -14.281 5.525 8.567 806 HD3 LYS 91 HD1 LYS 91 -13.632 6.380 7.168 807 HE2 LYS 91 HE2 LYS 91 -15.903 7.318 6.770 808 HE3 LYS 91 HE1 LYS 91 -16.432 6.561 8.271 809 HZ1 LYS 91 HZ1 LYS 91 -14.752 7.870 9.446 810 HZ2 LYS 91 HZ2 LYS 91 -15.868 8.854 8.643 811 HZ3 LYS 91 HZ3 LYS 91 -14.322 8.629 7.997 812 H ASP 92 HN ASP 92 -14.243 4.989 2.380 813 HA ASP 92 HA ASP 92 -16.132 6.749 1.193 814 HB2 ASP 92 HB2 ASP 92 -13.690 7.056 0.973 815 HB3 ASP 92 HB1 ASP 92 -13.611 5.608 -0.027 816 H PHE 93 HN PHE 93 -14.994 3.512 0.360 817 HA PHE 93 HA PHE 93 -16.544 3.195 -1.974 818 HB2 PHE 93 HB2 PHE 93 -14.695 1.705 -1.499 819 HB3 PHE 93 HB1 PHE 93 -15.464 1.161 -0.013 820 HD1 PHE 93 HD1 PHE 93 -17.041 -0.579 -0.021 821 HD2 PHE 93 HD2 PHE 93 -15.708 1.098 -3.696 822 HE1 PHE 93 HE1 PHE 93 -18.119 -2.419 -1.246 823 HE2 PHE 93 HE2 PHE 93 -16.780 -0.740 -4.925 824 HZ PHE 93 HZ PHE 93 -17.984 -2.499 -3.704 825 H ALA 94 HN ALA 94 -17.196 2.656 1.430 826 HA ALA 94 HA ALA 94 -19.687 1.389 1.146 827 HB1 ALA 94 HB1 ALA 94 -20.088 2.042 3.464 828 HB2 ALA 94 HB2 ALA 94 -18.714 3.146 3.395 829 HB3 ALA 94 HB3 ALA 94 -18.456 1.408 3.256 830 H GLU 95 HN GLU 95 -18.850 4.798 1.709 831 HA GLU 95 HA GLU 95 -21.496 5.758 1.638 832 HB2 GLU 95 HB2 GLU 95 -18.939 7.240 1.024 833 HB3 GLU 95 HB1 GLU 95 -20.487 7.976 1.418 834 HG2 GLU 95 HG2 GLU 95 -20.412 6.947 3.630 835 HG3 GLU 95 HG1 GLU 95 -18.861 6.212 3.234 836 H LYS 96 HN LYS 96 -19.412 4.764 -0.896 837 HA LYS 96 HA LYS 96 -20.761 6.424 -2.856 838 HB2 LYS 96 HB2 LYS 96 -19.066 5.971 -4.318 839 HB3 LYS 96 HB1 LYS 96 -18.227 5.776 -2.799 840 HG2 LYS 96 HG2 LYS 96 -18.541 3.326 -3.001 841 HG3 LYS 96 HG1 LYS 96 -19.214 3.603 -4.608 842 HD2 LYS 96 HD2 LYS 96 -16.430 4.298 -3.673 843 HD3 LYS 96 HD1 LYS 96 -16.874 3.013 -4.796 844 HE2 LYS 96 HE2 LYS 96 -17.218 5.977 -5.251 845 HE3 LYS 96 HE1 LYS 96 -15.982 4.953 -5.977 846 HZ1 LYS 96 HZ1 LYS 96 -17.713 3.715 -7.109 847 HZ2 LYS 96 HZ2 LYS 96 -17.826 5.356 -7.487 848 HZ3 LYS 96 HZ3 LYS 96 -18.911 4.668 -6.389 849 H HIS 97 HN HIS 97 -20.311 2.933 -2.279 850 HA HIS 97 HA HIS 97 -22.531 2.547 -4.158 851 HB2 HIS 97 HB2 HIS 97 -20.147 1.606 -4.611 852 HB3 HIS 97 HB1 HIS 97 -20.653 0.334 -3.501 853 HD1 HIS 97 HD1 HIS 97 -20.984 -1.575 -5.138 854 HD2 HIS 97 HD2 HIS 97 -22.988 1.890 -6.264 855 HE1 HIS 97 HE1 HIS 97 -22.425 -2.228 -7.089 856 HE2 HIS 97 HE2 HIS 97 -23.531 -0.092 -7.832 857 H LEU 98 HN LEU 98 -21.274 1.439 -1.035 858 HA LEU 98 HA LEU 98 -23.287 -0.510 -0.612 859 HB2 LEU 98 HB2 LEU 98 -21.547 0.959 1.353 860 HB3 LEU 98 HB1 LEU 98 -22.643 -0.330 1.800 861 HG LEU 98 HG LEU 98 -20.237 -0.592 -0.013 862 HD11 LEU 98 HD11 LEU 98 -19.662 -0.331 2.340 863 HD12 LEU 98 HD12 LEU 98 -19.355 -1.981 1.801 864 HD13 LEU 98 HD13 LEU 98 -20.785 -1.621 2.768 865 HD21 LEU 98 HD21 LEU 98 -22.163 -2.701 0.956 866 HD22 LEU 98 HD22 LEU 98 -20.707 -2.975 -0.005 867 HD23 LEU 98 HD23 LEU 98 -22.063 -2.083 -0.692 868 H ILE 99 HN ILE 99 -23.082 2.912 0.036 869 HA ILE 99 HA ILE 99 -25.492 2.969 1.594 870 HB ILE 99 HB ILE 99 -23.864 5.192 0.377 871 HG12 ILE 99 HG12 ILE 99 -22.669 4.090 2.144 872 HG13 ILE 99 HG11 ILE 99 -23.294 5.603 2.778 873 HG21 ILE 99 HG21 ILE 99 -26.140 5.953 0.567 874 HG22 ILE 99 HG22 ILE 99 -25.174 6.693 1.843 875 HG23 ILE 99 HG23 ILE 99 -26.244 5.341 2.218 876 HD11 ILE 99 HD11 ILE 99 -24.412 2.859 3.268 877 HD12 ILE 99 HD12 ILE 99 -25.151 4.360 3.821 878 HD13 ILE 99 HD13 ILE 99 -23.563 3.887 4.422 879 HA PRO 100 HA PRO 100 -27.976 2.818 -2.151 880 HB2 PRO 100 HB2 PRO 100 -30.319 2.355 -0.930 881 HB3 PRO 100 HB1 PRO 100 -29.077 1.099 -1.035 882 HG2 PRO 100 HG2 PRO 100 -29.705 2.950 1.251 883 HG3 PRO 100 HG1 PRO 100 -29.443 1.194 1.281 884 HD2 PRO 100 HD2 PRO 100 -27.502 2.969 1.926 885 HD3 PRO 100 HD1 PRO 100 -27.142 1.406 1.155 886 H LYS 101 HN LYS 101 -27.734 5.125 0.180 887 HA LYS 101 HA LYS 101 -30.016 6.714 -0.716 888 HB2 LYS 101 HB2 LYS 101 -28.096 7.233 1.562 889 HB3 LYS 101 HB1 LYS 101 -29.580 8.114 1.228 890 HG2 LYS 101 HG2 LYS 101 -30.855 6.027 1.621 891 HG3 LYS 101 HG1 LYS 101 -29.342 5.231 2.069 892 HD2 LYS 101 HD2 LYS 101 -29.047 6.760 3.917 893 HD3 LYS 101 HD1 LYS 101 -30.470 7.677 3.428 894 HE2 LYS 101 HE2 LYS 101 -31.073 6.255 5.261 895 HE3 LYS 101 HE1 LYS 101 -31.841 5.647 3.796 896 HZ1 LYS 101 HZ1 LYS 101 -30.155 3.959 3.625 897 HZ2 LYS 101 HZ2 LYS 101 -30.888 3.873 5.141 898 HZ3 LYS 101 HZ3 LYS 101 -29.349 4.561 4.986 Start of MODEL 5 1 H1 MET -14 HT1 MET -14 7.924 1.728 -26.447 2 H2 MET -14 HT2 MET -14 7.443 2.258 -24.917 3 H3 MET -14 HT3 MET -14 7.019 0.712 -25.448 4 HA MET -14 HA MET -14 9.303 0.025 -25.459 5 HB2 MET -14 HB2 MET -14 9.826 2.818 -24.423 6 HB3 MET -14 HB1 MET -14 11.016 1.526 -24.461 7 HG2 MET -14 HG2 MET -14 9.674 2.788 -26.841 8 HG3 MET -14 HG1 MET -14 11.336 3.041 -26.316 9 HE1 MET -14 HE1 MET -14 13.247 1.253 -26.499 10 HE2 MET -14 HE2 MET -14 12.996 -0.411 -27.025 11 HE3 MET -14 HE3 MET -14 12.307 0.145 -25.499 12 H ALA -13 HN ALA -13 7.250 -0.688 -23.974 13 HA ALA -13 HA ALA -13 7.818 -0.182 -21.168 14 HB1 ALA -13 HB1 ALA -13 5.488 -0.334 -21.904 15 HB2 ALA -13 HB2 ALA -13 5.875 -1.592 -20.732 16 HB3 ALA -13 HB3 ALA -13 5.767 -1.987 -22.446 17 H HIS -12 HN HIS -12 8.694 -1.662 -19.764 18 HA HIS -12 HA HIS -12 9.401 -4.306 -20.695 19 HB2 HIS -12 HB2 HIS -12 11.826 -4.004 -20.319 20 HB3 HIS -12 HB1 HIS -12 11.234 -3.008 -21.641 21 HD1 HIS -12 HD1 HIS -12 13.062 -2.843 -18.484 22 HD2 HIS -12 HD2 HIS -12 10.980 -0.189 -20.913 23 HE1 HIS -12 HE1 HIS -12 13.787 -0.553 -17.757 24 HE2 HIS -12 HE2 HIS -12 12.433 1.041 -19.160 25 H HIS -11 HN HIS -11 9.688 -5.720 -19.055 26 HA HIS -11 HA HIS -11 9.947 -4.659 -16.333 27 HB2 HIS -11 HB2 HIS -11 7.532 -5.077 -16.791 28 HB3 HIS -11 HB1 HIS -11 7.917 -6.756 -17.144 29 HD1 HIS -11 HD1 HIS -11 8.073 -4.313 -14.246 30 HD2 HIS -11 HD2 HIS -11 7.869 -8.399 -14.971 31 HE1 HIS -11 HE1 HIS -11 7.782 -5.386 -11.991 32 HE2 HIS -11 HE2 HIS -11 7.478 -7.840 -12.475 33 H HIS -10 HN HIS -10 12.143 -5.383 -16.809 34 HA HIS -10 HA HIS -10 12.662 -8.183 -17.198 35 HB2 HIS -10 HB2 HIS -10 14.162 -6.444 -18.092 36 HB3 HIS -10 HB1 HIS -10 14.535 -5.921 -16.456 37 HD1 HIS -10 HD1 HIS -10 16.565 -6.931 -15.455 38 HD2 HIS -10 HD2 HIS -10 15.054 -9.235 -18.566 39 HE1 HIS -10 HE1 HIS -10 18.215 -8.798 -15.775 40 HE2 HIS -10 HE2 HIS -10 17.350 -10.099 -17.750 41 H HIS -9 HN HIS -9 11.283 -8.742 -15.279 42 HA HIS -9 HA HIS -9 13.040 -9.031 -12.956 43 HB2 HIS -9 HB2 HIS -9 10.326 -7.791 -12.975 44 HB3 HIS -9 HB1 HIS -9 10.767 -8.800 -11.602 45 HD1 HIS -9 HD1 HIS -9 11.925 -7.615 -9.761 46 HD2 HIS -9 HD2 HIS -9 12.347 -5.625 -13.388 47 HE1 HIS -9 HE1 HIS -9 13.189 -5.511 -9.235 48 HE2 HIS -9 HE2 HIS -9 13.597 -4.422 -11.470 49 H HIS -8 HN HIS -8 13.287 -11.103 -14.040 50 HA HIS -8 HA HIS -8 11.028 -12.930 -13.631 51 HB2 HIS -8 HB2 HIS -8 13.625 -13.228 -15.141 52 HB3 HIS -8 HB1 HIS -8 12.554 -14.583 -14.822 53 HD1 HIS -8 HD1 HIS -8 10.418 -14.761 -16.213 54 HD2 HIS -8 HD2 HIS -8 12.667 -11.365 -17.039 55 HE1 HIS -8 HE1 HIS -8 9.470 -13.822 -18.340 56 HE2 HIS -8 HE2 HIS -8 10.727 -11.674 -18.717 57 H HIS -7 HN HIS -7 11.545 -15.056 -12.666 58 HA HIS -7 HA HIS -7 12.229 -16.333 -10.917 59 HB2 HIS -7 HB2 HIS -7 14.816 -14.767 -11.058 60 HB3 HIS -7 HB1 HIS -7 14.578 -16.335 -10.298 61 HD1 HIS -7 HD1 HIS -7 15.502 -14.758 -13.445 62 HD2 HIS -7 HD2 HIS -7 14.051 -18.457 -12.239 63 HE1 HIS -7 HE1 HIS -7 15.893 -16.303 -15.387 64 HE2 HIS -7 HE2 HIS -7 15.174 -18.571 -14.558 65 H VAL -6 HN VAL -6 10.851 -13.840 -10.455 66 HA VAL -6 HA VAL -6 12.004 -12.891 -7.937 67 HB VAL -6 HB VAL -6 10.298 -11.088 -8.070 68 HG11 VAL -6 HG11 VAL -6 12.055 -11.380 -10.504 69 HG12 VAL -6 HG12 VAL -6 12.542 -10.728 -8.939 70 HG13 VAL -6 HG13 VAL -6 11.351 -9.874 -9.918 71 HG21 VAL -6 HG21 VAL -6 9.057 -10.756 -10.151 72 HG22 VAL -6 HG22 VAL -6 8.605 -12.272 -9.370 73 HG23 VAL -6 HG23 VAL -6 9.680 -12.286 -10.769 74 H ASP -5 HN ASP -5 10.447 -12.464 -6.142 75 HA ASP -5 HA ASP -5 8.351 -14.528 -6.028 76 HB2 ASP -5 HB2 ASP -5 10.324 -13.940 -3.808 77 HB3 ASP -5 HB1 ASP -5 9.032 -15.134 -3.765 78 H ASP -4 HN ASP -4 6.474 -13.617 -5.557 79 HA ASP -4 HA ASP -4 6.348 -10.901 -4.626 80 HB2 ASP -4 HB2 ASP -4 3.926 -11.111 -4.877 81 HB3 ASP -4 HB1 ASP -4 4.750 -11.723 -6.306 82 H ASP -3 HN ASP -3 5.877 -14.075 -3.203 83 HA ASP -3 HA ASP -3 5.153 -12.752 -0.680 84 HB2 ASP -3 HB2 ASP -3 4.266 -14.825 0.113 85 HB3 ASP -3 HB1 ASP -3 3.646 -14.590 -1.515 86 H ASP -2 HN ASP -2 7.774 -13.605 -2.253 87 HA ASP -2 HA ASP -2 9.943 -13.937 -1.751 88 HB2 ASP -2 HB2 ASP -2 8.920 -13.183 0.965 89 HB3 ASP -2 HB1 ASP -2 10.593 -13.686 0.741 90 H LYS -1 HN LYS -1 10.586 -15.900 -2.194 91 HA LYS -1 HA LYS -1 9.727 -18.116 -0.474 92 HB2 LYS -1 HB2 LYS -1 9.301 -18.200 -2.964 93 HB3 LYS -1 HB1 LYS -1 11.041 -18.284 -3.192 94 HG2 LYS -1 HG2 LYS -1 11.136 -20.383 -2.001 95 HG3 LYS -1 HG1 LYS -1 9.413 -20.286 -1.640 96 HD2 LYS -1 HD2 LYS -1 9.815 -21.808 -3.494 97 HD3 LYS -1 HD1 LYS -1 8.911 -20.394 -4.036 98 HE2 LYS -1 HE2 LYS -1 10.636 -20.985 -5.642 99 HE3 LYS -1 HE1 LYS -1 10.970 -19.417 -4.914 100 HZ1 LYS -1 HZ1 LYS -1 12.274 -21.996 -4.231 101 HZ2 LYS -1 HZ2 LYS -1 12.544 -20.544 -3.409 102 HZ3 LYS -1 HZ3 LYS -1 12.982 -20.687 -5.033 103 H MET 0 HN MET 0 11.906 -16.114 0.012 104 HA MET 0 HA MET 0 13.981 -18.062 0.700 105 HB2 MET 0 HB2 MET 0 14.474 -15.409 -0.665 106 HB3 MET 0 HB1 MET 0 15.731 -16.361 0.109 107 HG2 MET 0 HG2 MET 0 15.316 -18.184 -1.456 108 HG3 MET 0 HG1 MET 0 14.050 -17.230 -2.231 109 HE1 MET 0 HE1 MET 0 16.535 -18.548 -3.781 110 HE2 MET 0 HE2 MET 0 16.947 -17.235 -4.884 111 HE3 MET 0 HE3 MET 0 15.255 -17.630 -4.574 112 H GLU 1 HN GLU 1 15.439 -17.232 2.397 113 HA GLU 1 HA GLU 1 14.072 -15.336 4.165 114 HB2 GLU 1 HB2 GLU 1 16.272 -17.347 4.632 115 HB3 GLU 1 HB1 GLU 1 15.891 -16.102 5.809 116 HG2 GLU 1 HG2 GLU 1 14.799 -18.091 6.484 117 HG3 GLU 1 HG1 GLU 1 13.565 -16.986 5.889 118 H ASP 2 HN ASP 2 15.009 -14.079 2.039 119 HA ASP 2 HA ASP 2 17.790 -13.407 2.196 120 HB2 ASP 2 HB2 ASP 2 16.507 -13.504 0.050 121 HB3 ASP 2 HB1 ASP 2 15.625 -12.070 0.566 122 H THR 3 HN THR 3 18.733 -11.682 3.091 123 HA THR 3 HA THR 3 17.022 -9.528 4.123 124 HB THR 3 HB THR 3 19.404 -10.500 5.694 125 HG1 THR 3 HG1 THR 3 17.262 -11.956 5.245 126 HG21 THR 3 HG21 THR 3 18.202 -9.456 7.559 127 HG22 THR 3 HG22 THR 3 16.878 -9.033 6.474 128 HG23 THR 3 HG23 THR 3 18.468 -8.301 6.252 129 H ALA 4 HN ALA 4 18.554 -9.698 1.702 130 HA ALA 4 HA ALA 4 20.735 -7.791 2.263 131 HB1 ALA 4 HB1 ALA 4 21.797 -8.573 0.211 132 HB2 ALA 4 HB2 ALA 4 20.465 -9.694 -0.061 133 HB3 ALA 4 HB3 ALA 4 21.527 -9.910 1.329 134 H ASN 5 HN ASN 5 21.022 -6.055 0.792 135 HA ASN 5 HA ASN 5 20.397 -4.350 -0.570 136 HB2 ASN 5 HB2 ASN 5 18.512 -6.448 -1.642 137 HB3 ASN 5 HB1 ASN 5 18.532 -4.802 -2.262 138 HD21 ASN 5 HD21 ASN 5 19.158 -7.304 -3.610 139 HD22 ASN 5 HD22 ASN 5 20.774 -7.135 -4.204 140 HA PRO 6 HA PRO 6 17.355 -2.169 1.716 141 HB2 PRO 6 HB2 PRO 6 16.400 -0.451 -0.221 142 HB3 PRO 6 HB1 PRO 6 17.893 -0.204 0.689 143 HG2 PRO 6 HG2 PRO 6 17.507 -1.339 -2.052 144 HG3 PRO 6 HG1 PRO 6 18.750 -0.218 -1.468 145 HD2 PRO 6 HD2 PRO 6 19.278 -2.819 -1.822 146 HD3 PRO 6 HD1 PRO 6 19.981 -1.913 -0.466 147 H ASN 7 HN ASN 7 15.780 -3.678 2.162 148 HA ASN 7 HA ASN 7 13.818 -4.500 0.233 149 HB2 ASN 7 HB2 ASN 7 13.878 -4.792 3.246 150 HB3 ASN 7 HB1 ASN 7 12.661 -5.515 2.197 151 HD21 ASN 7 HD21 ASN 7 15.930 -5.659 3.334 152 HD22 ASN 7 HD22 ASN 7 16.329 -7.181 2.619 153 H GLU 8 HN GLU 8 14.283 -1.829 2.235 154 HA GLU 8 HA GLU 8 11.565 -1.098 2.673 155 HB2 GLU 8 HB2 GLU 8 13.441 -0.303 4.081 156 HB3 GLU 8 HB1 GLU 8 14.062 0.606 2.712 157 HG2 GLU 8 HG2 GLU 8 12.088 2.003 2.709 158 HG3 GLU 8 HG1 GLU 8 11.401 1.061 4.034 159 H MET 9 HN MET 9 10.229 -0.053 1.396 160 HA MET 9 HA MET 9 11.158 0.600 -1.310 161 HB2 MET 9 HB2 MET 9 8.694 0.458 -1.855 162 HB3 MET 9 HB1 MET 9 9.429 -1.045 -1.337 163 HG2 MET 9 HG2 MET 9 8.564 -0.430 0.997 164 HG3 MET 9 HG1 MET 9 7.542 0.722 0.149 165 HE1 MET 9 HE1 MET 9 8.759 -2.950 -0.776 166 HE2 MET 9 HE2 MET 9 7.358 -3.867 -0.222 167 HE3 MET 9 HE3 MET 9 8.342 -2.972 0.936 168 H THR 10 HN THR 10 10.176 2.509 -2.357 169 HA THR 10 HA THR 10 10.194 4.736 -0.535 170 HB THR 10 HB THR 10 9.854 6.113 -2.600 171 HG1 THR 10 HG1 THR 10 10.423 4.438 -4.500 172 HG21 THR 10 HG21 THR 10 12.068 5.621 -3.563 173 HG22 THR 10 HG22 THR 10 12.100 4.098 -2.676 174 HG23 THR 10 HG23 THR 10 12.098 5.628 -1.800 175 H LYS 11 HN LYS 11 8.469 6.403 -0.573 176 HA LYS 11 HA LYS 11 5.979 5.368 0.075 177 HB2 LYS 11 HB2 LYS 11 5.137 7.680 -0.107 178 HB3 LYS 11 HB1 LYS 11 6.661 7.594 0.767 179 HG2 LYS 11 HG2 LYS 11 7.801 8.234 -1.385 180 HG3 LYS 11 HG1 LYS 11 6.196 8.557 -2.043 181 HD2 LYS 11 HD2 LYS 11 7.402 9.872 0.392 182 HD3 LYS 11 HD1 LYS 11 7.271 10.597 -1.210 183 HE2 LYS 11 HE2 LYS 11 4.838 10.472 -1.076 184 HE3 LYS 11 HE1 LYS 11 4.957 9.704 0.505 185 HZ1 LYS 11 HZ1 LYS 11 4.484 12.103 0.619 186 HZ2 LYS 11 HZ2 LYS 11 5.977 12.422 -0.113 187 HZ3 LYS 11 HZ3 LYS 11 5.921 11.682 1.410 188 H ASP 12 HN ASP 12 7.184 6.521 -3.013 189 HA ASP 12 HA ASP 12 4.664 6.516 -4.334 190 HB2 ASP 12 HB2 ASP 12 6.435 7.934 -5.140 191 HB3 ASP 12 HB1 ASP 12 7.501 6.552 -5.374 192 H ALA 13 HN ALA 13 7.427 4.293 -4.305 193 HA ALA 13 HA ALA 13 6.331 2.481 -6.178 194 HB1 ALA 13 HB1 ALA 13 8.419 1.994 -4.065 195 HB2 ALA 13 HB2 ALA 13 8.720 2.598 -5.693 196 HB3 ALA 13 HB3 ALA 13 8.089 0.968 -5.462 197 H TRP 14 HN TRP 14 6.251 2.678 -2.653 198 HA TRP 14 HA TRP 14 4.964 0.217 -2.197 199 HB2 TRP 14 HB2 TRP 14 5.962 1.453 -0.361 200 HB3 TRP 14 HB1 TRP 14 4.840 2.790 -0.606 201 HD1 TRP 14 HD1 TRP 14 4.898 -0.857 0.639 202 HE1 TRP 14 HE1 TRP 14 2.850 -1.235 2.152 203 HE3 TRP 14 HE3 TRP 14 2.541 3.640 -0.036 204 HZ2 TRP 14 HZ2 TRP 14 0.558 0.189 2.963 205 HZ3 TRP 14 HZ3 TRP 14 0.426 4.046 1.150 206 HH2 TRP 14 HH2 TRP 14 -0.544 2.353 2.618 207 H LEU 15 HN LEU 15 3.652 3.500 -2.604 208 HA LEU 15 HA LEU 15 0.941 2.876 -2.481 209 HB2 LEU 15 HB2 LEU 15 2.405 4.968 -4.091 210 HB3 LEU 15 HB1 LEU 15 0.660 4.892 -3.987 211 HG LEU 15 HG LEU 15 2.470 5.235 -1.600 212 HD11 LEU 15 HD11 LEU 15 1.763 7.585 -1.637 213 HD12 LEU 15 HD12 LEU 15 0.959 7.305 -3.183 214 HD13 LEU 15 HD13 LEU 15 2.713 7.148 -3.058 215 HD21 LEU 15 HD21 LEU 15 -0.509 5.530 -1.959 216 HD22 LEU 15 HD22 LEU 15 0.384 5.957 -0.499 217 HD23 LEU 15 HD23 LEU 15 0.322 4.279 -1.036 218 H ASN 16 HN ASN 16 3.153 2.857 -5.239 219 HA ASN 16 HA ASN 16 1.256 2.272 -7.230 220 HB2 ASN 16 HB2 ASN 16 3.512 3.131 -7.693 221 HB3 ASN 16 HB1 ASN 16 4.213 1.608 -7.148 222 HD21 ASN 16 HD21 ASN 16 4.150 -0.170 -8.493 223 HD22 ASN 16 HD22 ASN 16 3.650 -0.081 -10.143 224 H SER 17 HN SER 17 3.104 0.209 -5.074 225 HA SER 17 HA SER 17 2.243 -2.217 -6.391 226 HB2 SER 17 HB2 SER 17 3.730 -1.833 -3.783 227 HB3 SER 17 HB1 SER 17 3.571 -3.344 -4.679 228 HG SER 17 HG SER 17 5.351 -1.355 -5.001 229 H MET 18 HN MET 18 1.125 -0.190 -3.861 230 HA MET 18 HA MET 18 -0.259 -2.326 -2.446 231 HB2 MET 18 HB2 MET 18 0.984 -0.580 -1.204 232 HB3 MET 18 HB1 MET 18 -0.106 0.634 -1.855 233 HG2 MET 18 HG2 MET 18 -0.776 0.146 0.361 234 HG3 MET 18 HG1 MET 18 -1.983 -0.530 -0.731 235 HE1 MET 18 HE1 MET 18 -2.954 -2.030 1.270 236 HE2 MET 18 HE2 MET 18 -1.747 -1.335 2.350 237 HE3 MET 18 HE3 MET 18 -1.947 -3.084 2.263 238 H THR 19 HN THR 19 -0.950 0.421 -4.503 239 HA THR 19 HA THR 19 -3.585 0.892 -3.859 240 HB THR 19 HB THR 19 -3.699 1.533 -6.444 241 HG1 THR 19 HG1 THR 19 -0.923 1.815 -5.960 242 HG21 THR 19 HG21 THR 19 -3.827 3.093 -4.564 243 HG22 THR 19 HG22 THR 19 -2.770 3.717 -5.828 244 HG23 THR 19 HG23 THR 19 -2.076 3.011 -4.368 245 HA PRO 20 HA PRO 20 -5.208 -2.190 -7.073 246 HB2 PRO 20 HB2 PRO 20 -3.627 -3.933 -8.322 247 HB3 PRO 20 HB1 PRO 20 -3.738 -2.243 -8.837 248 HG2 PRO 20 HG2 PRO 20 -1.634 -3.566 -7.157 249 HG3 PRO 20 HG1 PRO 20 -1.431 -2.451 -8.520 250 HD2 PRO 20 HD2 PRO 20 -1.327 -1.682 -5.899 251 HD3 PRO 20 HD1 PRO 20 -1.812 -0.606 -7.223 252 H LEU 21 HN LEU 21 -3.111 -3.015 -4.567 253 HA LEU 21 HA LEU 21 -4.168 -5.717 -4.256 254 HB2 LEU 21 HB2 LEU 21 -2.205 -4.127 -2.605 255 HB3 LEU 21 HB1 LEU 21 -2.723 -5.755 -2.213 256 HG LEU 21 HG LEU 21 -1.162 -4.923 -4.660 257 HD11 LEU 21 HD11 LEU 21 0.624 -6.265 -3.663 258 HD12 LEU 21 HD12 LEU 21 -0.387 -6.557 -2.247 259 HD13 LEU 21 HD13 LEU 21 0.160 -4.921 -2.619 260 HD21 LEU 21 HD21 LEU 21 -2.665 -6.736 -5.223 261 HD22 LEU 21 HD22 LEU 21 -2.149 -7.642 -3.802 262 HD23 LEU 21 HD23 LEU 21 -1.013 -7.341 -5.116 263 H LEU 22 HN LEU 22 -4.780 -2.516 -3.296 264 HA LEU 22 HA LEU 22 -5.877 -2.882 -0.753 265 HB2 LEU 22 HB2 LEU 22 -6.446 -0.801 -2.853 266 HB3 LEU 22 HB1 LEU 22 -7.112 -0.743 -1.233 267 HG LEU 22 HG LEU 22 -4.150 -0.789 -1.799 268 HD11 LEU 22 HD11 LEU 22 -4.126 1.584 -1.501 269 HD12 LEU 22 HD12 LEU 22 -5.856 1.609 -1.171 270 HD13 LEU 22 HD13 LEU 22 -5.274 1.203 -2.784 271 HD21 LEU 22 HD21 LEU 22 -3.985 0.016 0.498 272 HD22 LEU 22 HD22 LEU 22 -4.820 -1.535 0.433 273 HD23 LEU 22 HD23 LEU 22 -5.740 -0.047 0.657 274 HA PRO 23 HA PRO 23 -10.208 -3.228 -3.228 275 HB2 PRO 23 HB2 PRO 23 -8.953 -4.963 -5.323 276 HB3 PRO 23 HB1 PRO 23 -10.380 -3.925 -5.429 277 HG2 PRO 23 HG2 PRO 23 -8.123 -3.063 -6.461 278 HG3 PRO 23 HG1 PRO 23 -9.109 -1.971 -5.483 279 HD2 PRO 23 HD2 PRO 23 -6.613 -3.413 -4.731 280 HD3 PRO 23 HD1 PRO 23 -7.135 -1.764 -4.336 281 H ASP 24 HN ASP 24 -7.692 -5.727 -3.187 282 HA ASP 24 HA ASP 24 -9.452 -7.883 -2.704 283 HB2 ASP 24 HB2 ASP 24 -7.175 -8.209 -3.559 284 HB3 ASP 24 HB1 ASP 24 -6.512 -7.635 -2.030 285 H LEU 25 HN LEU 25 -7.494 -5.866 -0.531 286 HA LEU 25 HA LEU 25 -8.320 -7.258 1.825 287 HB2 LEU 25 HB2 LEU 25 -6.875 -4.664 1.355 288 HB3 LEU 25 HB1 LEU 25 -7.364 -5.149 2.964 289 HG LEU 25 HG LEU 25 -6.003 -7.250 2.644 290 HD11 LEU 25 HD11 LEU 25 -4.958 -5.738 0.256 291 HD12 LEU 25 HD12 LEU 25 -5.873 -7.246 0.216 292 HD13 LEU 25 HD13 LEU 25 -4.261 -7.211 0.930 293 HD21 LEU 25 HD21 LEU 25 -5.213 -5.369 3.969 294 HD22 LEU 25 HD22 LEU 25 -4.557 -4.610 2.519 295 HD23 LEU 25 HD23 LEU 25 -3.880 -6.132 3.100 296 H ILE 26 HN ILE 26 -9.374 -4.332 0.174 297 HA ILE 26 HA ILE 26 -11.027 -3.348 2.247 298 HB ILE 26 HB ILE 26 -11.336 -2.891 -0.723 299 HG12 ILE 26 HG12 ILE 26 -9.092 -2.278 0.032 300 HG13 ILE 26 HG11 ILE 26 -10.028 -0.842 -0.356 301 HG21 ILE 26 HG21 ILE 26 -13.315 -2.250 0.490 302 HG22 ILE 26 HG22 ILE 26 -12.452 -0.803 -0.029 303 HG23 ILE 26 HG23 ILE 26 -12.352 -1.334 1.649 304 HD11 ILE 26 HD11 ILE 26 -9.484 -1.907 2.402 305 HD12 ILE 26 HD12 ILE 26 -10.434 -0.471 2.022 306 HD13 ILE 26 HD13 ILE 26 -8.712 -0.516 1.643 307 H CYS 27 HN CYS 27 -11.872 -5.111 -0.739 308 HA CYS 27 HA CYS 27 -14.612 -5.279 -0.182 309 HB2 CYS 27 HB2 CYS 27 -12.933 -7.128 -1.884 310 HB3 CYS 27 HB1 CYS 27 -14.681 -6.948 -1.960 311 H LYS 28 HN LYS 28 -11.941 -7.469 0.587 312 HA LYS 28 HA LYS 28 -13.564 -9.555 1.588 313 HB2 LYS 28 HB2 LYS 28 -10.681 -8.827 1.991 314 HB3 LYS 28 HB1 LYS 28 -11.413 -10.174 2.853 315 HG2 LYS 28 HG2 LYS 28 -11.950 -11.269 0.776 316 HG3 LYS 28 HG1 LYS 28 -11.365 -9.879 -0.141 317 HD2 LYS 28 HD2 LYS 28 -9.120 -10.241 0.678 318 HD3 LYS 28 HD1 LYS 28 -9.679 -11.569 1.697 319 HE2 LYS 28 HE2 LYS 28 -10.195 -12.912 -0.188 320 HE3 LYS 28 HE1 LYS 28 -9.990 -11.554 -1.294 321 HZ1 LYS 28 HZ1 LYS 28 -8.101 -13.106 -1.286 322 HZ2 LYS 28 HZ2 LYS 28 -7.804 -12.729 0.334 323 HZ3 LYS 28 HZ3 LYS 28 -7.655 -11.531 -0.855 324 H GLY 29 HN GLY 29 -12.378 -6.589 2.998 325 HA2 GLY 29 HA2 GLY 29 -12.768 -7.183 5.714 326 HA3 GLY 29 HA1 GLY 29 -12.860 -5.577 5.005 327 H PHE 30 HN PHE 30 -15.005 -5.876 3.300 328 HA PHE 30 HA PHE 30 -17.202 -5.602 5.071 329 HB2 PHE 30 HB2 PHE 30 -17.113 -5.859 2.058 330 HB3 PHE 30 HB1 PHE 30 -18.562 -5.463 2.977 331 HD1 PHE 30 HD1 PHE 30 -18.499 -3.378 4.431 332 HD2 PHE 30 HD2 PHE 30 -15.652 -4.186 1.379 333 HE1 PHE 30 HE1 PHE 30 -17.904 -0.993 4.363 334 HE2 PHE 30 HE2 PHE 30 -15.054 -1.803 1.303 335 HZ PHE 30 HZ PHE 30 -16.180 -0.204 2.798 336 H ILE 31 HN ILE 31 -15.850 -8.270 3.368 337 HA ILE 31 HA ILE 31 -18.246 -9.876 3.531 338 HB ILE 31 HB ILE 31 -15.450 -10.694 2.719 339 HG12 ILE 31 HG12 ILE 31 -17.832 -9.938 1.008 340 HG13 ILE 31 HG11 ILE 31 -16.416 -8.927 1.275 341 HG21 ILE 31 HG21 ILE 31 -16.859 -12.569 3.426 342 HG22 ILE 31 HG22 ILE 31 -16.536 -12.618 1.692 343 HG23 ILE 31 HG23 ILE 31 -18.102 -12.062 2.281 344 HD11 ILE 31 HD11 ILE 31 -16.440 -11.612 -0.085 345 HD12 ILE 31 HD12 ILE 31 -15.017 -10.603 0.183 346 HD13 ILE 31 HD13 ILE 31 -16.312 -10.041 -0.876 347 H GLN 32 HN GLN 32 -15.095 -9.689 5.106 348 HA GLN 32 HA GLN 32 -15.329 -11.947 6.755 349 HB2 GLN 32 HB2 GLN 32 -13.804 -9.373 7.146 350 HB3 GLN 32 HB1 GLN 32 -13.645 -10.769 8.196 351 HG2 GLN 32 HG2 GLN 32 -12.892 -12.100 6.266 352 HG3 GLN 32 HG1 GLN 32 -12.981 -10.652 5.265 353 HE21 GLN 32 HE21 GLN 32 -11.955 -10.576 8.591 354 HE22 GLN 32 HE22 GLN 32 -10.297 -10.205 8.275 355 H ASP 33 HN ASP 33 -16.311 -8.576 7.275 356 HA ASP 33 HA ASP 33 -17.263 -9.106 9.927 357 HB2 ASP 33 HB2 ASP 33 -17.224 -6.753 8.082 358 HB3 ASP 33 HB1 ASP 33 -18.305 -6.751 9.452 359 HA PRO 34 HA PRO 34 -21.075 -10.882 8.341 360 HB2 PRO 34 HB2 PRO 34 -21.845 -10.664 11.192 361 HB3 PRO 34 HB1 PRO 34 -21.838 -12.079 10.134 362 HG2 PRO 34 HG2 PRO 34 -20.008 -11.775 12.057 363 HG3 PRO 34 HG1 PRO 34 -19.597 -12.502 10.494 364 HD2 PRO 34 HD2 PRO 34 -19.038 -9.748 11.511 365 HD3 PRO 34 HD1 PRO 34 -18.020 -10.818 10.523 366 H ASP 35 HN ASP 35 -20.800 -8.199 10.571 367 HA ASP 35 HA ASP 35 -23.381 -7.118 10.353 368 HB2 ASP 35 HB2 ASP 35 -20.791 -5.587 10.697 369 HB3 ASP 35 HB1 ASP 35 -22.403 -5.081 11.202 370 H LEU 36 HN LEU 36 -20.390 -6.400 8.624 371 HA LEU 36 HA LEU 36 -21.511 -4.415 6.958 372 HB2 LEU 36 HB2 LEU 36 -18.955 -5.993 6.945 373 HB3 LEU 36 HB1 LEU 36 -19.296 -4.737 5.776 374 HG LEU 36 HG LEU 36 -17.890 -4.290 7.954 375 HD11 LEU 36 HD11 LEU 36 -18.637 -1.900 7.822 376 HD12 LEU 36 HD12 LEU 36 -19.932 -2.446 6.751 377 HD13 LEU 36 HD13 LEU 36 -18.243 -2.630 6.266 378 HD21 LEU 36 HD21 LEU 36 -19.224 -3.120 9.658 379 HD22 LEU 36 HD22 LEU 36 -19.448 -4.868 9.617 380 HD23 LEU 36 HD23 LEU 36 -20.673 -3.807 8.921 381 H LYS 37 HN LYS 37 -20.912 -7.860 6.638 382 HA LYS 37 HA LYS 37 -21.264 -8.126 3.878 383 HB2 LYS 37 HB2 LYS 37 -20.414 -9.907 5.420 384 HB3 LYS 37 HB1 LYS 37 -22.058 -10.135 5.996 385 HG2 LYS 37 HG2 LYS 37 -21.607 -11.840 4.403 386 HG3 LYS 37 HG1 LYS 37 -22.718 -10.695 3.650 387 HD2 LYS 37 HD2 LYS 37 -20.720 -9.600 2.591 388 HD3 LYS 37 HD1 LYS 37 -19.750 -10.935 3.206 389 HE2 LYS 37 HE2 LYS 37 -22.107 -11.224 1.358 390 HE3 LYS 37 HE1 LYS 37 -20.419 -11.235 0.851 391 HZ1 LYS 37 HZ1 LYS 37 -21.670 -13.185 2.707 392 HZ2 LYS 37 HZ2 LYS 37 -20.062 -13.203 2.192 393 HZ3 LYS 37 HZ3 LYS 37 -21.306 -13.468 1.081 394 H LYS 38 HN LYS 38 -23.533 -7.611 6.431 395 HA LYS 38 HA LYS 38 -25.922 -8.417 5.260 396 HB2 LYS 38 HB2 LYS 38 -25.452 -5.975 6.972 397 HB3 LYS 38 HB1 LYS 38 -27.003 -6.760 6.694 398 HG2 LYS 38 HG2 LYS 38 -26.076 -8.808 7.756 399 HG3 LYS 38 HG1 LYS 38 -24.623 -7.875 8.144 400 HD2 LYS 38 HD2 LYS 38 -25.905 -6.353 9.495 401 HD3 LYS 38 HD1 LYS 38 -27.412 -7.137 9.016 402 HE2 LYS 38 HE2 LYS 38 -25.181 -8.515 10.489 403 HE3 LYS 38 HE1 LYS 38 -26.581 -7.791 11.277 404 HZ1 LYS 38 HZ1 LYS 38 -28.005 -9.295 10.017 405 HZ2 LYS 38 HZ2 LYS 38 -26.892 -10.156 10.958 406 HZ3 LYS 38 HZ3 LYS 38 -26.649 -10.002 9.293 407 H ARG 39 HN ARG 39 -24.254 -5.290 5.071 408 HA ARG 39 HA ARG 39 -26.235 -4.170 3.317 409 HB2 ARG 39 HB2 ARG 39 -24.883 -2.867 5.007 410 HB3 ARG 39 HB1 ARG 39 -23.490 -3.079 3.957 411 HG2 ARG 39 HG2 ARG 39 -24.503 -0.895 3.649 412 HG3 ARG 39 HG1 ARG 39 -24.629 -1.865 2.180 413 HD2 ARG 39 HD2 ARG 39 -26.705 -0.625 2.708 414 HD3 ARG 39 HD1 ARG 39 -26.938 -2.370 2.655 415 HE ARG 39 HE ARG 39 -26.389 -1.467 5.302 416 HH11 ARG 39 HH11 ARG 39 -28.933 -1.645 2.903 417 HH12 ARG 39 HH12 ARG 39 -30.211 -1.642 4.074 418 HH21 ARG 39 HH21 ARG 39 -28.059 -1.468 6.845 419 HH22 ARG 39 HH22 ARG 39 -29.713 -1.548 6.323 420 H PHE 40 HN PHE 40 -23.169 -5.741 3.038 421 HA PHE 40 HA PHE 40 -22.539 -5.154 0.362 422 HB2 PHE 40 HB2 PHE 40 -21.111 -6.279 2.166 423 HB3 PHE 40 HB1 PHE 40 -21.975 -7.758 1.780 424 HD1 PHE 40 HD1 PHE 40 -20.828 -9.216 0.459 425 HD2 PHE 40 HD2 PHE 40 -20.249 -5.043 -0.119 426 HE1 PHE 40 HE1 PHE 40 -19.187 -9.698 -1.306 427 HE2 PHE 40 HE2 PHE 40 -18.613 -5.512 -1.896 428 HZ PHE 40 HZ PHE 40 -18.079 -7.841 -2.493 429 H ASP 41 HN ASP 41 -24.602 -7.607 1.850 430 HA ASP 41 HA ASP 41 -25.296 -8.803 -0.680 431 HB2 ASP 41 HB2 ASP 41 -25.294 -10.200 1.315 432 HB3 ASP 41 HB1 ASP 41 -26.509 -9.170 2.067 433 H GLU 42 HN GLU 42 -26.632 -6.344 1.432 434 HA GLU 42 HA GLU 42 -29.235 -6.219 0.450 435 HB2 GLU 42 HB2 GLU 42 -27.432 -4.039 1.487 436 HB3 GLU 42 HB1 GLU 42 -29.116 -3.767 1.069 437 HG2 GLU 42 HG2 GLU 42 -28.104 -5.682 3.155 438 HG3 GLU 42 HG1 GLU 42 -28.848 -4.112 3.454 439 H ILE 43 HN ILE 43 -26.271 -4.778 -0.819 440 HA ILE 43 HA ILE 43 -27.735 -3.554 -3.016 441 HB ILE 43 HB ILE 43 -24.734 -3.609 -2.648 442 HG12 ILE 43 HG12 ILE 43 -25.703 -2.696 -0.606 443 HG13 ILE 43 HG11 ILE 43 -24.967 -1.407 -1.549 444 HG21 ILE 43 HG21 ILE 43 -24.804 -1.543 -3.968 445 HG22 ILE 43 HG22 ILE 43 -26.555 -1.702 -4.113 446 HG23 ILE 43 HG23 ILE 43 -25.498 -2.905 -4.850 447 HD11 ILE 43 HD11 ILE 43 -27.901 -2.015 -1.302 448 HD12 ILE 43 HD12 ILE 43 -27.219 -0.805 -2.388 449 HD13 ILE 43 HD13 ILE 43 -27.036 -0.624 -0.643 450 H LYS 44 HN LYS 44 -26.689 -6.536 -2.295 451 HA LYS 44 HA LYS 44 -26.182 -8.446 -3.387 452 HB2 LYS 44 HB2 LYS 44 -27.511 -7.019 -5.701 453 HB3 LYS 44 HB1 LYS 44 -27.180 -8.744 -5.632 454 HG2 LYS 44 HG2 LYS 44 -28.999 -7.234 -3.763 455 HG3 LYS 44 HG1 LYS 44 -29.517 -8.235 -5.120 456 HD2 LYS 44 HD2 LYS 44 -28.635 -10.209 -4.075 457 HD3 LYS 44 HD1 LYS 44 -27.888 -9.256 -2.794 458 HE2 LYS 44 HE2 LYS 44 -30.164 -8.513 -2.113 459 HE3 LYS 44 HE1 LYS 44 -30.836 -9.630 -3.299 460 HZ1 LYS 44 HZ1 LYS 44 -29.138 -10.374 -0.972 461 HZ2 LYS 44 HZ2 LYS 44 -29.765 -11.454 -2.117 462 HZ3 LYS 44 HZ3 LYS 44 -30.810 -10.604 -1.100 463 H MET 45 HN MET 45 -24.029 -6.906 -3.126 464 HA MET 45 HA MET 45 -22.753 -6.757 -5.763 465 HB2 MET 45 HB2 MET 45 -22.764 -4.698 -4.414 466 HB3 MET 45 HB1 MET 45 -21.901 -5.532 -3.131 467 HG2 MET 45 HG2 MET 45 -19.955 -5.747 -4.449 468 HG3 MET 45 HG1 MET 45 -20.808 -5.267 -5.914 469 HE1 MET 45 HE1 MET 45 -22.553 -2.790 -4.758 470 HE2 MET 45 HE2 MET 45 -21.757 -2.870 -6.329 471 HE3 MET 45 HE3 MET 45 -21.484 -1.485 -5.271 472 H THR 46 HN THR 46 -20.880 -7.837 -6.215 473 HA THR 46 HA THR 46 -20.123 -9.927 -4.296 474 HB THR 46 HB THR 46 -19.142 -11.081 -6.274 475 HG1 THR 46 HG1 THR 46 -20.052 -10.137 -8.355 476 HG21 THR 46 HG21 THR 46 -21.410 -11.628 -5.526 477 HG22 THR 46 HG22 THR 46 -21.273 -11.754 -7.280 478 HG23 THR 46 HG23 THR 46 -22.060 -10.352 -6.556 479 H TYR 47 HN TYR 47 -17.762 -10.610 -4.484 480 HA TYR 47 HA TYR 47 -16.009 -8.530 -3.891 481 HB2 TYR 47 HB2 TYR 47 -15.503 -10.800 -3.235 482 HB3 TYR 47 HB1 TYR 47 -15.463 -11.324 -4.912 483 HD1 TYR 47 HD1 TYR 47 -13.532 -10.887 -6.311 484 HD2 TYR 47 HD2 TYR 47 -13.619 -9.582 -2.260 485 HE1 TYR 47 HE1 TYR 47 -11.108 -10.508 -6.390 486 HE2 TYR 47 HE2 TYR 47 -11.188 -9.196 -2.334 487 HH TYR 47 HH TYR 47 -9.226 -9.971 -3.621 488 H GLU 48 HN GLU 48 -16.500 -10.276 -6.938 489 HA GLU 48 HA GLU 48 -14.514 -9.020 -8.449 490 HB2 GLU 48 HB2 GLU 48 -17.152 -10.196 -9.329 491 HB3 GLU 48 HB1 GLU 48 -15.852 -9.742 -10.422 492 HG2 GLU 48 HG2 GLU 48 -14.389 -11.383 -9.414 493 HG3 GLU 48 HG1 GLU 48 -15.636 -11.803 -8.240 494 H GLN 49 HN GLN 49 -17.865 -8.071 -7.839 495 HA GLN 49 HA GLN 49 -17.811 -5.887 -9.685 496 HB2 GLN 49 HB2 GLN 49 -19.915 -6.967 -9.009 497 HB3 GLN 49 HB1 GLN 49 -19.673 -6.410 -7.359 498 HG2 GLN 49 HG2 GLN 49 -21.247 -4.967 -8.439 499 HG3 GLN 49 HG1 GLN 49 -19.739 -4.083 -8.174 500 HE21 GLN 49 HE21 GLN 49 -20.209 -2.604 -9.794 501 HE22 GLN 49 HE22 GLN 49 -20.105 -3.009 -11.469 502 H CYS 50 HN CYS 50 -17.004 -6.318 -6.339 503 HA CYS 50 HA CYS 50 -17.006 -3.545 -5.668 504 HB2 CYS 50 HB2 CYS 50 -17.404 -5.136 -3.920 505 HB3 CYS 50 HB1 CYS 50 -15.904 -5.987 -4.273 506 H VAL 51 HN VAL 51 -14.470 -5.905 -6.496 507 HA VAL 51 HA VAL 51 -12.328 -4.164 -5.890 508 HB VAL 51 HB VAL 51 -10.928 -5.733 -7.285 509 HG11 VAL 51 HG11 VAL 51 -11.060 -5.958 -4.904 510 HG12 VAL 51 HG12 VAL 51 -11.099 -7.563 -5.640 511 HG13 VAL 51 HG13 VAL 51 -12.588 -6.835 -5.034 512 HG21 VAL 51 HG21 VAL 51 -13.531 -7.239 -7.451 513 HG22 VAL 51 HG22 VAL 51 -11.950 -7.880 -7.891 514 HG23 VAL 51 HG23 VAL 51 -12.638 -6.536 -8.800 515 H THR 52 HN THR 52 -14.432 -4.109 -8.559 516 HA THR 52 HA THR 52 -12.442 -2.821 -10.254 517 HB THR 52 HB THR 52 -14.081 -4.322 -11.328 518 HG1 THR 52 HG1 THR 52 -13.188 -2.341 -12.374 519 HG21 THR 52 HG21 THR 52 -16.006 -3.902 -9.887 520 HG22 THR 52 HG22 THR 52 -16.412 -3.641 -11.583 521 HG23 THR 52 HG23 THR 52 -16.128 -2.262 -10.522 522 H LEU 53 HN LEU 53 -14.560 -1.994 -7.790 523 HA LEU 53 HA LEU 53 -14.974 0.734 -8.769 524 HB2 LEU 53 HB2 LEU 53 -16.026 -0.449 -6.214 525 HB3 LEU 53 HB1 LEU 53 -16.600 0.978 -7.058 526 HG LEU 53 HG LEU 53 -16.876 -1.871 -7.987 527 HD11 LEU 53 HD11 LEU 53 -18.816 0.120 -6.854 528 HD12 LEU 53 HD12 LEU 53 -18.418 -1.491 -6.246 529 HD13 LEU 53 HD13 LEU 53 -19.322 -1.313 -7.749 530 HD21 LEU 53 HD21 LEU 53 -18.223 -0.974 -9.809 531 HD22 LEU 53 HD22 LEU 53 -16.560 -0.395 -9.884 532 HD23 LEU 53 HD23 LEU 53 -17.837 0.667 -9.287 533 H ILE 54 HN ILE 54 -13.376 -1.118 -6.293 534 HA ILE 54 HA ILE 54 -12.625 0.838 -4.497 535 HB ILE 54 HB ILE 54 -10.988 -1.573 -5.276 536 HG12 ILE 54 HG12 ILE 54 -13.277 -2.182 -4.645 537 HG13 ILE 54 HG11 ILE 54 -12.136 -2.687 -3.406 538 HG21 ILE 54 HG21 ILE 54 -9.674 -0.026 -3.980 539 HG22 ILE 54 HG22 ILE 54 -10.130 -1.376 -2.945 540 HG23 ILE 54 HG23 ILE 54 -10.976 0.161 -2.809 541 HD11 ILE 54 HD11 ILE 54 -14.107 -1.779 -2.384 542 HD12 ILE 54 HD12 ILE 54 -13.939 -0.287 -3.310 543 HD13 ILE 54 HD13 ILE 54 -12.740 -0.705 -2.084 544 HA PRO 55 HA PRO 55 -8.500 1.421 -7.287 545 HB2 PRO 55 HB2 PRO 55 -10.042 1.400 -9.843 546 HB3 PRO 55 HB1 PRO 55 -8.368 0.926 -9.529 547 HG2 PRO 55 HG2 PRO 55 -10.246 -0.927 -9.844 548 HG3 PRO 55 HG1 PRO 55 -8.975 -1.120 -8.620 549 HD2 PRO 55 HD2 PRO 55 -11.839 -0.368 -8.280 550 HD3 PRO 55 HD1 PRO 55 -10.796 -1.345 -7.232 551 H GLU 56 HN GLU 56 -11.720 2.679 -7.595 552 HA GLU 56 HA GLU 56 -10.955 5.288 -8.507 553 HB2 GLU 56 HB2 GLU 56 -13.215 4.503 -8.882 554 HB3 GLU 56 HB1 GLU 56 -13.455 4.245 -7.162 555 HG2 GLU 56 HG2 GLU 56 -14.618 6.220 -7.828 556 HG3 GLU 56 HG1 GLU 56 -13.260 6.676 -6.804 557 H SER 57 HN SER 57 -11.735 3.832 -5.371 558 HA SER 57 HA SER 57 -11.285 6.295 -3.953 559 HB2 SER 57 HB2 SER 57 -11.772 3.485 -2.957 560 HB3 SER 57 HB1 SER 57 -11.788 4.938 -1.961 561 HG SER 57 HG SER 57 -13.655 5.570 -2.858 562 H THR 58 HN THR 58 -9.387 3.537 -4.867 563 HA THR 58 HA THR 58 -7.398 3.553 -2.914 564 HB THR 58 HB THR 58 -5.856 2.670 -4.663 565 HG1 THR 58 HG1 THR 58 -6.404 2.701 -6.741 566 HG21 THR 58 HG21 THR 58 -8.592 1.409 -4.736 567 HG22 THR 58 HG22 THR 58 -7.393 1.162 -3.466 568 HG23 THR 58 HG23 THR 58 -7.062 0.614 -5.112 569 H LYS 59 HN LYS 59 -7.425 5.280 -6.023 570 HA LYS 59 HA LYS 59 -5.056 6.736 -5.568 571 HB2 LYS 59 HB2 LYS 59 -6.116 6.372 -7.794 572 HB3 LYS 59 HB1 LYS 59 -7.386 7.497 -7.337 573 HG2 LYS 59 HG2 LYS 59 -5.810 8.640 -8.715 574 HG3 LYS 59 HG1 LYS 59 -5.662 9.258 -7.069 575 HD2 LYS 59 HD2 LYS 59 -3.711 7.841 -6.704 576 HD3 LYS 59 HD1 LYS 59 -3.871 7.183 -8.333 577 HE2 LYS 59 HE2 LYS 59 -3.310 10.058 -7.614 578 HE3 LYS 59 HE1 LYS 59 -2.146 8.901 -8.252 579 HZ1 LYS 59 HZ1 LYS 59 -2.972 10.349 -9.988 580 HZ2 LYS 59 HZ2 LYS 59 -4.565 9.887 -9.665 581 HZ3 LYS 59 HZ3 LYS 59 -3.465 8.757 -10.278 582 H LYS 60 HN LYS 60 -8.450 7.459 -4.973 583 HA LYS 60 HA LYS 60 -8.313 10.105 -4.196 584 HB2 LYS 60 HB2 LYS 60 -10.469 9.235 -4.331 585 HB3 LYS 60 HB1 LYS 60 -10.063 7.811 -3.386 586 HG2 LYS 60 HG2 LYS 60 -9.951 9.157 -1.371 587 HG3 LYS 60 HG1 LYS 60 -10.316 10.609 -2.297 588 HD2 LYS 60 HD2 LYS 60 -12.122 8.200 -2.056 589 HD3 LYS 60 HD1 LYS 60 -12.281 9.675 -1.101 590 HE2 LYS 60 HE2 LYS 60 -12.604 10.952 -3.186 591 HE3 LYS 60 HE1 LYS 60 -12.510 9.446 -4.098 592 HZ1 LYS 60 HZ1 LYS 60 -14.459 8.648 -2.884 593 HZ2 LYS 60 HZ2 LYS 60 -14.798 10.077 -3.731 594 HZ3 LYS 60 HZ3 LYS 60 -14.558 10.124 -2.059 595 H CYS 61 HN CYS 61 -8.025 7.239 -2.100 596 HA CYS 61 HA CYS 61 -7.362 8.846 0.169 597 HB2 CYS 61 HB2 CYS 61 -7.245 5.854 -0.234 598 HB3 CYS 61 HB1 CYS 61 -7.057 6.677 1.313 599 H GLN 62 HN GLN 62 -5.569 7.408 -2.381 600 HA GLN 62 HA GLN 62 -3.054 7.232 -1.101 601 HB2 GLN 62 HB2 GLN 62 -3.512 6.151 -3.257 602 HB3 GLN 62 HB1 GLN 62 -3.701 7.726 -4.015 603 HG2 GLN 62 HG2 GLN 62 -1.156 7.408 -2.632 604 HG3 GLN 62 HG1 GLN 62 -1.403 6.246 -3.937 605 HE21 GLN 62 HE21 GLN 62 -0.988 9.590 -3.118 606 HE22 GLN 62 HE22 GLN 62 -0.732 10.159 -4.728 607 H ASP 63 HN ASP 63 -4.533 9.780 -3.105 608 HA ASP 63 HA ASP 63 -2.443 11.653 -2.731 609 HB2 ASP 63 HB2 ASP 63 -5.299 11.910 -3.626 610 HB3 ASP 63 HB1 ASP 63 -4.308 13.342 -3.363 611 H GLU 64 HN GLU 64 -5.063 10.688 -0.723 612 HA GLU 64 HA GLU 64 -5.231 12.924 0.978 613 HB2 GLU 64 HB2 GLU 64 -5.652 9.977 1.507 614 HB3 GLU 64 HB1 GLU 64 -5.987 11.232 2.692 615 HG2 GLU 64 HG2 GLU 64 -7.279 11.023 -0.015 616 HG3 GLU 64 HG1 GLU 64 -7.998 10.495 1.506 617 H LEU 65 HN LEU 65 -3.423 9.920 1.355 618 HA LEU 65 HA LEU 65 -2.146 10.925 3.742 619 HB2 LEU 65 HB2 LEU 65 -1.869 8.256 2.373 620 HB3 LEU 65 HB1 LEU 65 -1.369 8.651 4.008 621 HG LEU 65 HG LEU 65 -4.237 8.943 3.181 622 HD11 LEU 65 HD11 LEU 65 -4.626 6.684 4.077 623 HD12 LEU 65 HD12 LEU 65 -2.879 6.438 4.137 624 HD13 LEU 65 HD13 LEU 65 -3.683 6.694 2.588 625 HD21 LEU 65 HD21 LEU 65 -4.635 8.614 5.559 626 HD22 LEU 65 HD22 LEU 65 -3.523 9.957 5.289 627 HD23 LEU 65 HD23 LEU 65 -2.907 8.396 5.829 628 H TYR 66 HN TYR 66 -1.296 10.401 0.414 629 HA TYR 66 HA TYR 66 1.386 9.939 0.400 630 HB2 TYR 66 HB2 TYR 66 0.142 10.074 -1.646 631 HB3 TYR 66 HB1 TYR 66 -0.211 11.772 -1.392 632 HD1 TYR 66 HD1 TYR 66 1.355 13.466 -2.046 633 HD2 TYR 66 HD2 TYR 66 2.433 9.360 -2.280 634 HE1 TYR 66 HE1 TYR 66 3.328 14.067 -3.380 635 HE2 TYR 66 HE2 TYR 66 4.413 9.949 -3.613 636 HH TYR 66 HH TYR 66 5.525 13.153 -3.937 637 H ALA 67 HN ALA 67 -0.129 13.099 0.937 638 HA ALA 67 HA ALA 67 2.236 14.619 0.884 639 HB1 ALA 67 HB1 ALA 67 0.927 16.368 1.972 640 HB2 ALA 67 HB2 ALA 67 -0.344 15.199 2.330 641 HB3 ALA 67 HB3 ALA 67 0.025 15.617 0.656 642 H SER 68 HN SER 68 0.677 12.817 3.460 643 HA SER 68 HA SER 68 2.437 13.953 5.480 644 HB2 SER 68 HB2 SER 68 0.349 11.789 5.795 645 HB3 SER 68 HB1 SER 68 1.084 12.756 7.075 646 HG SER 68 HG SER 68 0.147 14.593 5.710 647 H MET 69 HN MET 69 2.305 11.276 3.389 648 HA MET 69 HA MET 69 3.694 9.351 4.927 649 HB2 MET 69 HB2 MET 69 3.375 9.695 1.945 650 HB3 MET 69 HB1 MET 69 4.154 8.307 2.685 651 HG2 MET 69 HG2 MET 69 2.092 7.722 3.816 652 HG3 MET 69 HG1 MET 69 1.304 9.150 3.147 653 HE1 MET 69 HE1 MET 69 2.750 5.569 0.624 654 HE2 MET 69 HE2 MET 69 2.863 5.639 2.382 655 HE3 MET 69 HE3 MET 69 3.853 6.710 1.392 656 HA PRO 70 HA PRO 70 7.836 10.949 4.643 657 HB2 PRO 70 HB2 PRO 70 9.160 8.687 5.315 658 HB3 PRO 70 HB1 PRO 70 8.279 9.657 6.499 659 HG2 PRO 70 HG2 PRO 70 7.436 7.150 5.093 660 HG3 PRO 70 HG1 PRO 70 7.251 7.590 6.804 661 HD2 PRO 70 HD2 PRO 70 5.228 7.809 5.016 662 HD3 PRO 70 HD1 PRO 70 5.408 8.911 6.396 663 H ASP 71 HN ASP 71 9.952 10.288 3.548 664 HA ASP 71 HA ASP 71 9.491 9.960 0.813 665 HB2 ASP 71 HB2 ASP 71 11.505 11.044 1.724 666 HB3 ASP 71 HB1 ASP 71 12.070 9.484 2.314 667 H LYS 72 HN LYS 72 10.720 7.609 3.179 668 HA LYS 72 HA LYS 72 10.098 5.520 1.216 669 HB2 LYS 72 HB2 LYS 72 12.281 5.472 3.296 670 HB3 LYS 72 HB1 LYS 72 11.888 4.156 2.200 671 HG2 LYS 72 HG2 LYS 72 12.356 5.793 0.314 672 HG3 LYS 72 HG1 LYS 72 13.064 6.836 1.546 673 HD2 LYS 72 HD2 LYS 72 14.665 5.121 2.134 674 HD3 LYS 72 HD1 LYS 72 13.914 3.994 1.002 675 HE2 LYS 72 HE2 LYS 72 14.473 5.565 -0.841 676 HE3 LYS 72 HE1 LYS 72 15.338 6.564 0.325 677 HZ1 LYS 72 HZ1 LYS 72 15.977 3.735 -0.315 678 HZ2 LYS 72 HZ2 LYS 72 16.824 4.724 0.762 679 HZ3 LYS 72 HZ3 LYS 72 16.824 5.082 -0.888 680 H ILE 73 HN ILE 73 9.614 3.397 2.151 681 HA ILE 73 HA ILE 73 7.937 3.702 4.558 682 HB ILE 73 HB ILE 73 7.172 2.340 1.965 683 HG12 ILE 73 HG12 ILE 73 7.068 4.796 1.826 684 HG13 ILE 73 HG11 ILE 73 5.465 4.075 1.751 685 HG21 ILE 73 HG21 ILE 73 5.559 2.685 4.486 686 HG22 ILE 73 HG22 ILE 73 6.294 1.181 3.931 687 HG23 ILE 73 HG23 ILE 73 5.009 1.935 2.987 688 HD11 ILE 73 HD11 ILE 73 5.460 6.068 3.123 689 HD12 ILE 73 HD12 ILE 73 6.710 5.381 4.159 690 HD13 ILE 73 HD13 ILE 73 5.110 4.644 4.103 691 H ASN 74 HN ASN 74 8.568 2.257 6.036 692 HA ASN 74 HA ASN 74 9.954 -0.169 5.173 693 HB2 ASN 74 HB2 ASN 74 10.746 1.450 7.056 694 HB3 ASN 74 HB1 ASN 74 9.528 0.643 8.039 695 HD21 ASN 74 HD21 ASN 74 12.562 0.356 6.422 696 HD22 ASN 74 HD22 ASN 74 13.023 -1.168 7.110 697 H SER 75 HN SER 75 9.388 -2.082 6.895 698 HA SER 75 HA SER 75 6.951 -3.090 6.045 699 HB2 SER 75 HB2 SER 75 8.472 -3.880 8.538 700 HB3 SER 75 HB1 SER 75 7.309 -4.877 7.660 701 HG SER 75 HG SER 75 9.754 -5.034 7.238 702 H GLU 76 HN GLU 76 7.724 -1.598 9.195 703 HA GLU 76 HA GLU 76 5.097 -1.867 10.240 704 HB2 GLU 76 HB2 GLU 76 7.032 -1.521 11.698 705 HB3 GLU 76 HB1 GLU 76 7.300 0.065 10.989 706 HG2 GLU 76 HG2 GLU 76 5.119 0.797 11.849 707 HG3 GLU 76 HG1 GLU 76 4.910 -0.781 12.608 708 H THR 77 HN THR 77 6.770 0.645 8.448 709 HA THR 77 HA THR 77 4.856 2.691 8.750 710 HB THR 77 HB THR 77 6.524 2.460 6.268 711 HG1 THR 77 HG1 THR 77 7.621 3.250 8.774 712 HG21 THR 77 HG21 THR 77 5.163 4.459 6.587 713 HG22 THR 77 HG22 THR 77 6.876 4.864 6.694 714 HG23 THR 77 HG23 THR 77 5.906 4.734 8.161 715 H ALA 78 HN ALA 78 5.300 0.100 6.428 716 HA ALA 78 HA ALA 78 3.427 0.762 4.492 717 HB1 ALA 78 HB1 ALA 78 4.188 -1.980 5.492 718 HB2 ALA 78 HB2 ALA 78 5.049 -1.050 4.266 719 HB3 ALA 78 HB3 ALA 78 3.409 -1.622 3.950 720 H GLY 79 HN GLY 79 2.965 -1.325 7.350 721 HA2 GLY 79 HA2 GLY 79 0.200 -1.713 6.986 722 HA3 GLY 79 HA1 GLY 79 1.065 -1.901 8.505 723 H THR 80 HN THR 80 2.017 0.785 8.638 724 HA THR 80 HA THR 80 -0.056 1.976 10.078 725 HB THR 80 HB THR 80 2.394 3.316 8.913 726 HG1 THR 80 HG1 THR 80 3.044 1.618 10.227 727 HG21 THR 80 HG21 THR 80 2.132 4.903 10.770 728 HG22 THR 80 HG22 THR 80 0.642 4.092 11.251 729 HG23 THR 80 HG23 THR 80 0.730 4.929 9.700 730 H TRP 81 HN TRP 81 1.083 2.614 6.762 731 HA TRP 81 HA TRP 81 -0.998 4.622 6.436 732 HB2 TRP 81 HB2 TRP 81 1.157 3.662 4.548 733 HB3 TRP 81 HB1 TRP 81 -0.009 4.930 4.164 734 HD1 TRP 81 HD1 TRP 81 3.301 4.401 5.796 735 HE1 TRP 81 HE1 TRP 81 4.106 6.593 6.891 736 HE3 TRP 81 HE3 TRP 81 -1.020 7.099 5.473 737 HZ2 TRP 81 HZ2 TRP 81 3.042 9.128 7.516 738 HZ3 TRP 81 HZ3 TRP 81 -1.043 9.401 6.339 739 HH2 TRP 81 HH2 TRP 81 0.947 10.391 7.342 740 H GLY 82 HN GLY 82 -0.326 1.327 5.521 741 HA2 GLY 82 HA2 GLY 82 -2.250 0.986 3.514 742 HA3 GLY 82 HA1 GLY 82 -1.672 -0.280 4.589 743 H ARG 83 HN ARG 83 -2.532 0.711 7.034 744 HA ARG 83 HA ARG 83 -5.262 -0.046 7.024 745 HB2 ARG 83 HB2 ARG 83 -5.243 0.470 9.399 746 HB3 ARG 83 HB1 ARG 83 -3.780 -0.398 8.962 747 HG2 ARG 83 HG2 ARG 83 -2.545 1.718 8.937 748 HG3 ARG 83 HG1 ARG 83 -4.018 2.570 9.408 749 HD2 ARG 83 HD2 ARG 83 -2.641 0.415 11.001 750 HD3 ARG 83 HD1 ARG 83 -2.552 2.146 11.321 751 HE ARG 83 HE ARG 83 -5.238 1.486 11.293 752 HH11 ARG 83 HH11 ARG 83 -2.400 0.679 13.169 753 HH12 ARG 83 HH12 ARG 83 -3.296 0.330 14.611 754 HH21 ARG 83 HH21 ARG 83 -6.423 1.051 13.186 755 HH22 ARG 83 HH22 ARG 83 -5.592 0.562 14.627 756 H SER 84 HN SER 84 -3.618 3.068 7.041 757 HA SER 84 HA SER 84 -5.872 4.683 7.545 758 HB2 SER 84 HB2 SER 84 -3.379 5.345 5.957 759 HB3 SER 84 HB1 SER 84 -4.516 6.513 6.631 760 HG SER 84 HG SER 84 -3.942 5.192 8.685 761 H LEU 85 HN LEU 85 -4.434 3.414 4.574 762 HA LEU 85 HA LEU 85 -6.242 4.599 2.769 763 HB2 LEU 85 HB2 LEU 85 -4.701 2.006 2.614 764 HB3 LEU 85 HB1 LEU 85 -5.639 2.655 1.284 765 HG LEU 85 HG LEU 85 -3.348 4.146 2.557 766 HD11 LEU 85 HD11 LEU 85 -2.535 2.046 1.610 767 HD12 LEU 85 HD12 LEU 85 -2.008 3.428 0.651 768 HD13 LEU 85 HD13 LEU 85 -3.339 2.419 0.087 769 HD21 LEU 85 HD21 LEU 85 -3.424 5.445 0.489 770 HD22 LEU 85 HD22 LEU 85 -4.964 5.520 1.343 771 HD23 LEU 85 HD23 LEU 85 -4.790 4.482 -0.072 772 H GLY 86 HN GLY 86 -6.267 1.453 4.411 773 HA2 GLY 86 HA2 GLY 86 -8.608 0.429 3.316 774 HA3 GLY 86 HA1 GLY 86 -7.968 -0.003 4.889 775 H GLU 87 HN GLU 87 -8.281 2.213 6.392 776 HA GLU 87 HA GLU 87 -11.029 2.109 7.013 777 HB2 GLU 87 HB2 GLU 87 -10.546 3.847 8.676 778 HB3 GLU 87 HB1 GLU 87 -9.346 2.565 8.714 779 HG2 GLU 87 HG2 GLU 87 -7.777 3.943 7.508 780 HG3 GLU 87 HG1 GLU 87 -8.983 5.218 7.341 781 H CYS 88 HN CYS 88 -9.192 4.253 4.997 782 HA CYS 88 HA CYS 88 -11.255 6.258 4.833 783 HB2 CYS 88 HB2 CYS 88 -8.971 6.977 4.591 784 HB3 CYS 88 HB1 CYS 88 -8.691 5.818 3.294 785 H ILE 89 HN ILE 89 -9.953 3.735 2.709 786 HA ILE 89 HA ILE 89 -11.644 4.307 0.514 787 HB ILE 89 HB ILE 89 -10.117 1.805 1.217 788 HG12 ILE 89 HG12 ILE 89 -9.530 3.924 -0.856 789 HG13 ILE 89 HG11 ILE 89 -8.835 3.923 0.763 790 HG21 ILE 89 HG21 ILE 89 -10.460 1.130 -1.112 791 HG22 ILE 89 HG22 ILE 89 -11.508 2.526 -1.356 792 HG23 ILE 89 HG23 ILE 89 -11.986 1.254 -0.234 793 HD11 ILE 89 HD11 ILE 89 -7.284 3.007 -0.842 794 HD12 ILE 89 HD12 ILE 89 -8.467 1.793 -1.328 795 HD13 ILE 89 HD13 ILE 89 -7.790 1.763 0.302 796 H GLY 90 HN GLY 90 -11.871 1.941 3.155 797 HA2 GLY 90 HA2 GLY 90 -14.122 0.560 2.135 798 HA3 GLY 90 HA1 GLY 90 -13.609 0.578 3.818 799 H LYS 91 HN LYS 91 -13.727 3.428 4.036 800 HA LYS 91 HA LYS 91 -16.400 3.775 4.813 801 HB2 LYS 91 HB2 LYS 91 -14.826 4.810 6.139 802 HB3 LYS 91 HB1 LYS 91 -13.843 5.295 4.765 803 HG2 LYS 91 HG2 LYS 91 -15.380 6.984 4.191 804 HG3 LYS 91 HG1 LYS 91 -16.490 6.447 5.446 805 HD2 LYS 91 HD2 LYS 91 -14.767 6.953 7.139 806 HD3 LYS 91 HD1 LYS 91 -13.731 7.574 5.854 807 HE2 LYS 91 HE2 LYS 91 -15.503 9.224 5.308 808 HE3 LYS 91 HE1 LYS 91 -16.407 8.652 6.709 809 HZ1 LYS 91 HZ1 LYS 91 -14.521 9.289 8.111 810 HZ2 LYS 91 HZ2 LYS 91 -15.153 10.614 7.274 811 HZ3 LYS 91 HZ3 LYS 91 -13.712 9.899 6.757 812 H ASP 92 HN ASP 92 -14.354 4.979 2.178 813 HA ASP 92 HA ASP 92 -16.327 6.739 1.113 814 HB2 ASP 92 HB2 ASP 92 -13.879 7.019 0.746 815 HB3 ASP 92 HB1 ASP 92 -13.901 5.586 -0.278 816 H PHE 93 HN PHE 93 -15.195 3.501 0.268 817 HA PHE 93 HA PHE 93 -16.851 3.090 -1.963 818 HB2 PHE 93 HB2 PHE 93 -15.002 1.601 -1.557 819 HB3 PHE 93 HB1 PHE 93 -15.658 1.133 0.009 820 HD1 PHE 93 HD1 PHE 93 -17.184 -0.633 0.202 821 HD2 PHE 93 HD2 PHE 93 -16.254 0.953 -3.635 822 HE1 PHE 93 HE1 PHE 93 -18.400 -2.491 -0.855 823 HE2 PHE 93 HE2 PHE 93 -17.463 -0.901 -4.695 824 HZ PHE 93 HZ PHE 93 -18.540 -2.626 -3.308 825 H ALA 94 HN ALA 94 -17.339 2.498 1.484 826 HA ALA 94 HA ALA 94 -19.830 1.265 1.377 827 HB1 ALA 94 HB1 ALA 94 -18.838 3.208 3.463 828 HB2 ALA 94 HB2 ALA 94 -18.502 1.476 3.432 829 HB3 ALA 94 HB3 ALA 94 -20.155 2.052 3.660 830 H GLU 95 HN GLU 95 -19.059 4.732 1.662 831 HA GLU 95 HA GLU 95 -21.719 5.622 1.509 832 HB2 GLU 95 HB2 GLU 95 -19.154 7.037 0.810 833 HB3 GLU 95 HB1 GLU 95 -20.724 7.821 0.930 834 HG2 GLU 95 HG2 GLU 95 -20.840 6.972 3.290 835 HG3 GLU 95 HG1 GLU 95 -19.150 6.506 3.113 836 H LYS 96 HN LYS 96 -19.414 4.753 -0.961 837 HA LYS 96 HA LYS 96 -20.675 5.965 -3.163 838 HB2 LYS 96 HB2 LYS 96 -18.843 3.605 -2.894 839 HB3 LYS 96 HB1 LYS 96 -19.574 3.987 -4.443 840 HG2 LYS 96 HG2 LYS 96 -18.557 6.237 -4.320 841 HG3 LYS 96 HG1 LYS 96 -17.745 5.747 -2.831 842 HD2 LYS 96 HD2 LYS 96 -16.544 4.012 -3.993 843 HD3 LYS 96 HD1 LYS 96 -17.452 4.314 -5.475 844 HE2 LYS 96 HE2 LYS 96 -15.592 6.270 -4.130 845 HE3 LYS 96 HE1 LYS 96 -15.201 5.294 -5.546 846 HZ1 LYS 96 HZ1 LYS 96 -15.839 7.470 -6.248 847 HZ2 LYS 96 HZ2 LYS 96 -17.276 7.408 -5.367 848 HZ3 LYS 96 HZ3 LYS 96 -17.065 6.401 -6.705 849 H HIS 97 HN HIS 97 -20.762 2.490 -2.297 850 HA HIS 97 HA HIS 97 -23.224 2.359 -3.902 851 HB2 HIS 97 HB2 HIS 97 -21.032 0.337 -3.527 852 HB3 HIS 97 HB1 HIS 97 -22.592 -0.071 -4.231 853 HD1 HIS 97 HD1 HIS 97 -23.008 0.608 -6.649 854 HD2 HIS 97 HD2 HIS 97 -19.423 2.059 -5.120 855 HE1 HIS 97 HE1 HIS 97 -21.766 1.563 -8.615 856 HE2 HIS 97 HE2 HIS 97 -19.703 2.614 -7.627 857 H LEU 98 HN LEU 98 -21.752 1.200 -0.892 858 HA LEU 98 HA LEU 98 -23.888 -0.583 -0.293 859 HB2 LEU 98 HB2 LEU 98 -21.865 0.654 1.567 860 HB3 LEU 98 HB1 LEU 98 -22.914 -0.693 1.958 861 HG LEU 98 HG LEU 98 -20.648 -0.672 -0.030 862 HD11 LEU 98 HD11 LEU 98 -21.110 -2.213 2.516 863 HD12 LEU 98 HD12 LEU 98 -19.980 -0.877 2.297 864 HD13 LEU 98 HD13 LEU 98 -19.727 -2.396 1.437 865 HD21 LEU 98 HD21 LEU 98 -22.644 -2.859 0.551 866 HD22 LEU 98 HD22 LEU 98 -21.179 -3.039 -0.414 867 HD23 LEU 98 HD23 LEU 98 -22.471 -1.974 -0.966 868 H ILE 99 HN ILE 99 -23.181 2.758 0.538 869 HA ILE 99 HA ILE 99 -25.770 3.016 1.843 870 HB ILE 99 HB ILE 99 -23.691 5.142 1.284 871 HG12 ILE 99 HG12 ILE 99 -24.284 3.529 3.776 872 HG13 ILE 99 HG11 ILE 99 -22.794 3.528 2.840 873 HG21 ILE 99 HG21 ILE 99 -26.164 5.203 3.009 874 HG22 ILE 99 HG22 ILE 99 -25.921 6.074 1.496 875 HG23 ILE 99 HG23 ILE 99 -24.954 6.481 2.913 876 HD11 ILE 99 HD11 ILE 99 -22.411 5.859 3.481 877 HD12 ILE 99 HD12 ILE 99 -22.505 4.782 4.872 878 HD13 ILE 99 HD13 ILE 99 -23.873 5.816 4.463 879 HA PRO 100 HA PRO 100 -27.404 3.862 -2.297 880 HB2 PRO 100 HB2 PRO 100 -29.986 4.210 -1.439 881 HB3 PRO 100 HB1 PRO 100 -29.269 2.638 -1.809 882 HG2 PRO 100 HG2 PRO 100 -29.649 3.973 0.839 883 HG3 PRO 100 HG1 PRO 100 -29.892 2.274 0.394 884 HD2 PRO 100 HD2 PRO 100 -27.695 3.092 1.708 885 HD3 PRO 100 HD1 PRO 100 -27.628 1.790 0.498 886 H LYS 101 HN LYS 101 -27.513 5.741 0.578 887 HA LYS 101 HA LYS 101 -28.525 8.112 -0.774 888 HB2 LYS 101 HB2 LYS 101 -27.555 7.861 2.077 889 HB3 LYS 101 HB1 LYS 101 -28.560 9.135 1.400 890 HG2 LYS 101 HG2 LYS 101 -30.366 7.523 1.056 891 HG3 LYS 101 HG1 LYS 101 -29.357 6.253 1.749 892 HD2 LYS 101 HD2 LYS 101 -29.233 7.577 3.847 893 HD3 LYS 101 HD1 LYS 101 -30.370 8.728 3.140 894 HE2 LYS 101 HE2 LYS 101 -30.885 5.797 3.632 895 HE3 LYS 101 HE1 LYS 101 -31.504 7.131 4.603 896 HZ1 LYS 101 HZ1 LYS 101 -32.725 7.916 2.669 897 HZ2 LYS 101 HZ2 LYS 101 -33.163 6.329 3.053 898 HZ3 LYS 101 HZ3 LYS 101 -32.134 6.629 1.745 Start of MODEL 6 1 H1 MET -14 HT1 MET -14 27.729 -14.973 12.451 2 H2 MET -14 HT2 MET -14 28.967 -15.326 11.360 3 H3 MET -14 HT3 MET -14 27.374 -15.741 10.986 4 HA MET -14 HA MET -14 28.038 -13.806 9.752 5 HB2 MET -14 HB2 MET -14 26.060 -13.212 11.963 6 HB3 MET -14 HB1 MET -14 26.244 -12.255 10.501 7 HG2 MET -14 HG2 MET -14 25.382 -15.135 10.642 8 HG3 MET -14 HG1 MET -14 24.345 -13.744 10.330 9 HE1 MET -14 HE1 MET -14 23.389 -14.860 8.119 10 HE2 MET -14 HE2 MET -14 24.371 -16.280 8.471 11 HE3 MET -14 HE3 MET -14 24.413 -15.557 6.864 12 H ALA -13 HN ALA -13 30.256 -13.399 10.389 13 HA ALA -13 HA ALA -13 30.426 -10.908 11.931 14 HB1 ALA -13 HB1 ALA -13 32.380 -13.200 12.133 15 HB2 ALA -13 HB2 ALA -13 31.232 -12.709 13.378 16 HB3 ALA -13 HB3 ALA -13 32.545 -11.628 12.914 17 H HIS -12 HN HIS -12 31.057 -9.400 10.541 18 HA HIS -12 HA HIS -12 32.146 -9.964 7.997 19 HB2 HIS -12 HB2 HIS -12 31.988 -7.379 9.547 20 HB3 HIS -12 HB1 HIS -12 32.564 -7.482 7.890 21 HD1 HIS -12 HD1 HIS -12 29.544 -7.073 9.861 22 HD2 HIS -12 HD2 HIS -12 30.492 -8.433 6.050 23 HE1 HIS -12 HE1 HIS -12 27.391 -7.000 8.561 24 HE2 HIS -12 HE2 HIS -12 28.034 -7.641 6.214 25 H HIS -11 HN HIS -11 33.577 -9.304 11.074 26 HA HIS -11 HA HIS -11 36.170 -8.597 10.136 27 HB2 HIS -11 HB2 HIS -11 35.224 -8.006 12.379 28 HB3 HIS -11 HB1 HIS -11 35.375 -9.694 12.843 29 HD1 HIS -11 HD1 HIS -11 37.361 -6.579 12.310 30 HD2 HIS -11 HD2 HIS -11 37.995 -10.547 13.395 31 HE1 HIS -11 HE1 HIS -11 39.687 -6.664 13.259 32 HE2 HIS -11 HE2 HIS -11 40.103 -9.099 13.750 33 H HIS -10 HN HIS -10 36.485 -10.314 8.567 34 HA HIS -10 HA HIS -10 37.147 -12.930 9.724 35 HB2 HIS -10 HB2 HIS -10 36.781 -12.027 6.866 36 HB3 HIS -10 HB1 HIS -10 37.429 -13.606 7.290 37 HD1 HIS -10 HD1 HIS -10 34.461 -12.331 6.119 38 HD2 HIS -10 HD2 HIS -10 35.364 -14.744 9.376 39 HE1 HIS -10 HE1 HIS -10 32.339 -13.556 6.657 40 HE2 HIS -10 HE2 HIS -10 32.864 -14.890 8.727 41 H HIS -9 HN HIS -9 38.626 -11.268 6.959 42 HA HIS -9 HA HIS -9 41.246 -11.932 8.084 43 HB2 HIS -9 HB2 HIS -9 40.712 -12.585 5.724 44 HB3 HIS -9 HB1 HIS -9 40.600 -10.874 5.321 45 HD1 HIS -9 HD1 HIS -9 42.803 -9.576 5.049 46 HD2 HIS -9 HD2 HIS -9 43.327 -13.525 6.224 47 HE1 HIS -9 HE1 HIS -9 45.264 -10.023 4.825 48 HE2 HIS -9 HE2 HIS -9 45.578 -12.346 5.744 49 H HIS -8 HN HIS -8 39.197 -9.248 7.323 50 HA HIS -8 HA HIS -8 41.221 -7.239 7.401 51 HB2 HIS -8 HB2 HIS -8 38.216 -7.100 7.658 52 HB3 HIS -8 HB1 HIS -8 39.243 -5.675 7.733 53 HD1 HIS -8 HD1 HIS -8 39.511 -4.522 5.566 54 HD2 HIS -8 HD2 HIS -8 38.704 -8.564 5.064 55 HE1 HIS -8 HE1 HIS -8 39.320 -4.869 3.088 56 HE2 HIS -8 HE2 HIS -8 39.041 -7.357 2.809 57 H HIS -7 HN HIS -7 42.395 -6.973 9.171 58 HA HIS -7 HA HIS -7 41.207 -7.454 11.785 59 HB2 HIS -7 HB2 HIS -7 43.504 -7.278 12.653 60 HB3 HIS -7 HB1 HIS -7 43.388 -8.458 11.357 61 HD1 HIS -7 HD1 HIS -7 44.619 -7.899 9.135 62 HD2 HIS -7 HD2 HIS -7 45.134 -5.085 12.145 63 HE1 HIS -7 HE1 HIS -7 46.490 -6.414 8.358 64 HE2 HIS -7 HE2 HIS -7 46.651 -4.611 10.105 65 H VAL -6 HN VAL -6 41.880 -4.855 9.725 66 HA VAL -6 HA VAL -6 41.229 -2.988 11.897 67 HB VAL -6 HB VAL -6 42.630 -1.256 10.681 68 HG11 VAL -6 HG11 VAL -6 43.999 -3.573 12.028 69 HG12 VAL -6 HG12 VAL -6 43.325 -2.145 12.808 70 HG13 VAL -6 HG13 VAL -6 44.731 -1.993 11.754 71 HG21 VAL -6 HG21 VAL -6 42.935 -2.473 8.591 72 HG22 VAL -6 HG22 VAL -6 43.850 -3.718 9.441 73 HG23 VAL -6 HG23 VAL -6 44.489 -2.078 9.325 74 H ASP -5 HN ASP -5 40.566 -0.816 10.933 75 HA ASP -5 HA ASP -5 39.085 0.418 9.760 76 HB2 ASP -5 HB2 ASP -5 39.972 -1.440 7.561 77 HB3 ASP -5 HB1 ASP -5 38.788 -0.167 7.289 78 H ASP -4 HN ASP -4 38.081 -1.655 11.370 79 HA ASP -4 HA ASP -4 35.912 -2.944 10.002 80 HB2 ASP -4 HB2 ASP -4 36.480 -2.503 12.934 81 HB3 ASP -4 HB1 ASP -4 35.057 -3.354 12.353 82 H ASP -3 HN ASP -3 36.279 -0.112 12.058 83 HA ASP -3 HA ASP -3 33.497 0.531 12.095 84 HB2 ASP -3 HB2 ASP -3 35.856 2.319 12.730 85 HB3 ASP -3 HB1 ASP -3 34.181 2.596 13.193 86 H ASP -2 HN ASP -2 32.339 1.819 10.773 87 HA ASP -2 HA ASP -2 33.721 3.594 8.916 88 HB2 ASP -2 HB2 ASP -2 32.695 2.764 6.944 89 HB3 ASP -2 HB1 ASP -2 33.320 1.342 7.770 90 H LYS -1 HN LYS -1 32.247 5.143 7.916 91 HA LYS -1 HA LYS -1 29.830 5.557 9.551 92 HB2 LYS -1 HB2 LYS -1 31.662 7.658 8.369 93 HB3 LYS -1 HB1 LYS -1 30.198 7.978 9.287 94 HG2 LYS -1 HG2 LYS -1 31.204 6.925 11.256 95 HG3 LYS -1 HG1 LYS -1 32.675 6.617 10.331 96 HD2 LYS -1 HD2 LYS -1 32.910 9.054 9.972 97 HD3 LYS -1 HD1 LYS -1 31.495 9.313 10.994 98 HE2 LYS -1 HE2 LYS -1 34.072 7.997 11.848 99 HE3 LYS -1 HE1 LYS -1 33.589 9.650 12.224 100 HZ1 LYS -1 HZ1 LYS -1 31.669 8.738 13.421 101 HZ2 LYS -1 HZ2 LYS -1 33.136 8.222 14.079 102 HZ3 LYS -1 HZ3 LYS -1 32.226 7.169 13.121 103 H MET 0 HN MET 0 30.190 4.159 6.990 104 HA MET 0 HA MET 0 28.994 5.947 5.027 105 HB2 MET 0 HB2 MET 0 29.870 3.061 4.820 106 HB3 MET 0 HB1 MET 0 29.223 4.008 3.488 107 HG2 MET 0 HG2 MET 0 31.101 5.512 3.589 108 HG3 MET 0 HG1 MET 0 31.727 4.680 5.013 109 HE1 MET 0 HE1 MET 0 33.449 5.261 2.349 110 HE2 MET 0 HE2 MET 0 34.315 3.730 2.228 111 HE3 MET 0 HE3 MET 0 34.076 4.484 3.804 112 H GLU 1 HN GLU 1 27.074 6.122 6.491 113 HA GLU 1 HA GLU 1 25.310 3.786 6.408 114 HB2 GLU 1 HB2 GLU 1 24.914 6.438 7.804 115 HB3 GLU 1 HB1 GLU 1 23.908 5.008 7.984 116 HG2 GLU 1 HG2 GLU 1 25.807 3.802 8.948 117 HG3 GLU 1 HG1 GLU 1 26.796 5.252 8.794 118 H ASP 2 HN ASP 2 25.742 4.809 3.943 119 HA ASP 2 HA ASP 2 23.660 6.694 3.252 120 HB2 ASP 2 HB2 ASP 2 24.482 6.471 0.965 121 HB3 ASP 2 HB1 ASP 2 25.827 6.739 2.067 122 H THR 3 HN THR 3 22.413 5.982 1.117 123 HA THR 3 HA THR 3 21.518 3.218 1.298 124 HB THR 3 HB THR 3 19.529 5.495 1.406 125 HG1 THR 3 HG1 THR 3 20.901 4.172 3.400 126 HG21 THR 3 HG21 THR 3 17.924 3.685 1.921 127 HG22 THR 3 HG22 THR 3 19.208 2.501 1.682 128 HG23 THR 3 HG23 THR 3 18.661 3.492 0.331 129 H ALA 4 HN ALA 4 22.853 3.481 -0.740 130 HA ALA 4 HA ALA 4 21.601 4.756 -2.979 131 HB1 ALA 4 HB1 ALA 4 24.001 4.303 -2.975 132 HB2 ALA 4 HB2 ALA 4 23.216 3.498 -4.332 133 HB3 ALA 4 HB3 ALA 4 23.684 2.571 -2.907 134 H ASN 5 HN ASN 5 21.781 1.474 -1.711 135 HA ASN 5 HA ASN 5 19.512 0.733 -3.428 136 HB2 ASN 5 HB2 ASN 5 21.328 -1.103 -1.860 137 HB3 ASN 5 HB1 ASN 5 20.099 -1.585 -3.020 138 HD21 ASN 5 HD21 ASN 5 20.468 -1.246 -5.223 139 HD22 ASN 5 HD22 ASN 5 22.064 -0.991 -5.842 140 HA PRO 6 HA PRO 6 17.259 1.267 0.384 141 HB2 PRO 6 HB2 PRO 6 14.796 0.940 -0.680 142 HB3 PRO 6 HB1 PRO 6 15.735 2.421 -0.904 143 HG2 PRO 6 HG2 PRO 6 15.351 0.119 -2.772 144 HG3 PRO 6 HG1 PRO 6 15.365 1.855 -3.124 145 HD2 PRO 6 HD2 PRO 6 17.502 0.205 -3.557 146 HD3 PRO 6 HD1 PRO 6 17.655 1.939 -3.216 147 H ASN 7 HN ASN 7 16.600 -0.124 1.914 148 HA ASN 7 HA ASN 7 16.557 -2.953 1.304 149 HB2 ASN 7 HB2 ASN 7 17.681 -2.097 3.341 150 HB3 ASN 7 HB1 ASN 7 16.130 -1.518 3.938 151 HD21 ASN 7 HD21 ASN 7 18.101 -4.308 3.310 152 HD22 ASN 7 HD22 ASN 7 17.154 -5.429 4.225 153 H GLU 8 HN GLU 8 14.356 -0.385 1.768 154 HA GLU 8 HA GLU 8 12.091 -2.259 1.767 155 HB2 GLU 8 HB2 GLU 8 10.787 -0.630 2.960 156 HB3 GLU 8 HB1 GLU 8 12.285 -0.897 3.841 157 HG2 GLU 8 HG2 GLU 8 11.923 1.364 1.920 158 HG3 GLU 8 HG1 GLU 8 11.485 1.490 3.620 159 H MET 9 HN MET 9 10.065 -0.612 1.073 160 HA MET 9 HA MET 9 10.802 0.218 -1.642 161 HB2 MET 9 HB2 MET 9 8.355 0.197 -2.074 162 HB3 MET 9 HB1 MET 9 8.961 -1.366 -1.551 163 HG2 MET 9 HG2 MET 9 7.830 0.516 0.462 164 HG3 MET 9 HG1 MET 9 6.744 -0.402 -0.580 165 HE1 MET 9 HE1 MET 9 6.363 -2.953 -0.461 166 HE2 MET 9 HE2 MET 9 7.429 -4.072 0.390 167 HE3 MET 9 HE3 MET 9 8.032 -3.161 -0.995 168 H THR 10 HN THR 10 10.022 2.281 -2.440 169 HA THR 10 HA THR 10 10.182 4.315 -0.400 170 HB THR 10 HB THR 10 9.962 5.910 -2.319 171 HG1 THR 10 HG1 THR 10 10.076 4.939 -4.437 172 HG21 THR 10 HG21 THR 10 12.050 3.750 -2.644 173 HG22 THR 10 HG22 THR 10 12.170 5.164 -1.597 174 HG23 THR 10 HG23 THR 10 12.127 5.365 -3.348 175 H LYS 11 HN LYS 11 8.574 6.121 -0.338 176 HA LYS 11 HA LYS 11 6.050 5.205 0.331 177 HB2 LYS 11 HB2 LYS 11 5.342 7.564 0.300 178 HB3 LYS 11 HB1 LYS 11 6.890 7.351 1.101 179 HG2 LYS 11 HG2 LYS 11 7.997 8.059 -1.025 180 HG3 LYS 11 HG1 LYS 11 6.397 8.447 -1.658 181 HD2 LYS 11 HD2 LYS 11 7.694 9.661 0.782 182 HD3 LYS 11 HD1 LYS 11 7.497 10.439 -0.788 183 HE2 LYS 11 HE2 LYS 11 5.050 10.277 -0.536 184 HE3 LYS 11 HE1 LYS 11 5.281 9.541 1.049 185 HZ1 LYS 11 HZ1 LYS 11 6.310 11.549 1.835 186 HZ2 LYS 11 HZ2 LYS 11 4.803 11.932 1.160 187 HZ3 LYS 11 HZ3 LYS 11 6.224 12.254 0.299 188 H ASP 12 HN ASP 12 7.149 6.563 -2.729 189 HA ASP 12 HA ASP 12 4.524 6.731 -3.839 190 HB2 ASP 12 HB2 ASP 12 6.548 8.167 -4.418 191 HB3 ASP 12 HB1 ASP 12 7.133 6.796 -5.352 192 H ALA 13 HN ALA 13 7.254 4.510 -4.155 193 HA ALA 13 HA ALA 13 6.112 2.904 -6.186 194 HB1 ALA 13 HB1 ALA 13 7.835 1.289 -5.631 195 HB2 ALA 13 HB2 ALA 13 8.190 2.160 -4.139 196 HB3 ALA 13 HB3 ALA 13 8.508 2.918 -5.699 197 H TRP 14 HN TRP 14 6.169 2.645 -2.650 198 HA TRP 14 HA TRP 14 4.807 0.232 -2.376 199 HB2 TRP 14 HB2 TRP 14 5.800 1.342 -0.452 200 HB3 TRP 14 HB1 TRP 14 4.694 2.700 -0.626 201 HD1 TRP 14 HD1 TRP 14 4.588 -1.072 0.261 202 HE1 TRP 14 HE1 TRP 14 2.583 -1.463 1.831 203 HE3 TRP 14 HE3 TRP 14 2.583 3.625 0.188 204 HZ2 TRP 14 HZ2 TRP 14 0.433 0.041 2.902 205 HZ3 TRP 14 HZ3 TRP 14 0.552 4.075 1.501 206 HH2 TRP 14 HH2 TRP 14 -0.498 2.317 2.839 207 H LEU 15 HN LEU 15 3.510 3.535 -2.488 208 HA LEU 15 HA LEU 15 0.801 2.909 -2.392 209 HB2 LEU 15 HB2 LEU 15 2.242 5.166 -3.786 210 HB3 LEU 15 HB1 LEU 15 0.500 5.092 -3.605 211 HG LEU 15 HG LEU 15 2.367 5.057 -1.249 212 HD11 LEU 15 HD11 LEU 15 2.819 7.096 -2.407 213 HD12 LEU 15 HD12 LEU 15 1.797 7.459 -1.014 214 HD13 LEU 15 HD13 LEU 15 1.098 7.406 -2.632 215 HD21 LEU 15 HD21 LEU 15 0.148 4.233 -0.783 216 HD22 LEU 15 HD22 LEU 15 -0.576 5.634 -1.568 217 HD23 LEU 15 HD23 LEU 15 0.334 5.835 -0.071 218 H ASN 16 HN ASN 16 2.996 3.094 -5.158 219 HA ASN 16 HA ASN 16 1.059 2.874 -7.182 220 HB2 ASN 16 HB2 ASN 16 3.363 3.614 -7.603 221 HB3 ASN 16 HB1 ASN 16 3.960 2.002 -7.224 222 HD21 ASN 16 HD21 ASN 16 3.774 0.382 -8.732 223 HD22 ASN 16 HD22 ASN 16 3.251 0.661 -10.356 224 H SER 17 HN SER 17 2.806 0.428 -5.348 225 HA SER 17 HA SER 17 1.679 -1.708 -6.963 226 HB2 SER 17 HB2 SER 17 4.050 -1.742 -6.127 227 HB3 SER 17 HB1 SER 17 3.414 -1.924 -4.493 228 HG SER 17 HG SER 17 3.267 -3.966 -4.893 229 H MET 18 HN MET 18 1.084 -0.103 -3.969 230 HA MET 18 HA MET 18 -0.330 -2.296 -2.734 231 HB2 MET 18 HB2 MET 18 1.011 -0.675 -1.430 232 HB3 MET 18 HB1 MET 18 -0.106 0.599 -1.896 233 HG2 MET 18 HG2 MET 18 -0.628 -0.096 0.312 234 HG3 MET 18 HG1 MET 18 -1.917 -0.646 -0.757 235 HE1 MET 18 HE1 MET 18 -2.704 -2.244 1.281 236 HE2 MET 18 HE2 MET 18 -1.328 -1.721 2.254 237 HE3 MET 18 HE3 MET 18 -1.646 -3.441 2.029 238 H THR 19 HN THR 19 -1.120 0.632 -4.480 239 HA THR 19 HA THR 19 -3.727 1.000 -3.654 240 HB THR 19 HB THR 19 -4.010 1.969 -6.087 241 HG1 THR 19 HG1 THR 19 -1.193 2.120 -5.881 242 HG21 THR 19 HG21 THR 19 -2.103 3.159 -4.071 243 HG22 THR 19 HG22 THR 19 -3.861 3.279 -4.010 244 HG23 THR 19 HG23 THR 19 -2.971 4.041 -5.327 245 HA PRO 20 HA PRO 20 -5.437 -1.738 -7.121 246 HB2 PRO 20 HB2 PRO 20 -3.882 -3.398 -8.521 247 HB3 PRO 20 HB1 PRO 20 -4.000 -1.677 -8.920 248 HG2 PRO 20 HG2 PRO 20 -1.869 -3.110 -7.374 249 HG3 PRO 20 HG1 PRO 20 -1.693 -1.902 -8.660 250 HD2 PRO 20 HD2 PRO 20 -1.530 -1.314 -5.998 251 HD3 PRO 20 HD1 PRO 20 -2.058 -0.151 -7.229 252 H LEU 21 HN LEU 21 -3.314 -2.724 -4.716 253 HA LEU 21 HA LEU 21 -4.337 -5.454 -4.550 254 HB2 LEU 21 HB2 LEU 21 -2.392 -3.931 -2.812 255 HB3 LEU 21 HB1 LEU 21 -2.838 -5.610 -2.571 256 HG LEU 21 HG LEU 21 -1.367 -4.493 -4.959 257 HD11 LEU 21 HD11 LEU 21 -0.030 -4.582 -2.910 258 HD12 LEU 21 HD12 LEU 21 0.523 -5.758 -4.102 259 HD13 LEU 21 HD13 LEU 21 -0.437 -6.287 -2.721 260 HD21 LEU 21 HD21 LEU 21 -2.207 -7.314 -4.298 261 HD22 LEU 21 HD22 LEU 21 -1.093 -6.868 -5.590 262 HD23 LEU 21 HD23 LEU 21 -2.772 -6.331 -5.649 263 H LEU 22 HN LEU 22 -5.016 -2.333 -3.437 264 HA LEU 22 HA LEU 22 -6.077 -2.892 -0.893 265 HB2 LEU 22 HB2 LEU 22 -6.619 -0.633 -2.805 266 HB3 LEU 22 HB1 LEU 22 -7.264 -0.701 -1.176 267 HG LEU 22 HG LEU 22 -4.313 -0.734 -1.809 268 HD11 LEU 22 HD11 LEU 22 -4.277 1.595 -1.178 269 HD12 LEU 22 HD12 LEU 22 -6.020 1.579 -0.915 270 HD13 LEU 22 HD13 LEU 22 -5.372 1.364 -2.540 271 HD21 LEU 22 HD21 LEU 22 -4.074 -0.177 0.561 272 HD22 LEU 22 HD22 LEU 22 -4.901 -1.719 0.347 273 HD23 LEU 22 HD23 LEU 22 -5.822 -0.274 0.765 274 HA PRO 23 HA PRO 23 -10.412 -3.030 -3.421 275 HB2 PRO 23 HB2 PRO 23 -9.132 -4.718 -5.536 276 HB3 PRO 23 HB1 PRO 23 -10.550 -3.672 -5.634 277 HG2 PRO 23 HG2 PRO 23 -8.266 -2.819 -6.608 278 HG3 PRO 23 HG1 PRO 23 -9.283 -1.726 -5.666 279 HD2 PRO 23 HD2 PRO 23 -6.780 -3.119 -4.869 280 HD3 PRO 23 HD1 PRO 23 -7.374 -1.507 -4.427 281 H ASP 24 HN ASP 24 -7.928 -5.532 -3.529 282 HA ASP 24 HA ASP 24 -9.570 -7.744 -2.990 283 HB2 ASP 24 HB2 ASP 24 -7.375 -8.115 -3.850 284 HB3 ASP 24 HB1 ASP 24 -6.632 -7.214 -2.534 285 H LEU 25 HN LEU 25 -7.638 -5.689 -0.838 286 HA LEU 25 HA LEU 25 -8.287 -7.108 1.537 287 HB2 LEU 25 HB2 LEU 25 -7.302 -4.270 1.219 288 HB3 LEU 25 HB1 LEU 25 -7.258 -5.216 2.691 289 HG LEU 25 HG LEU 25 -5.728 -5.886 0.179 290 HD11 LEU 25 HD11 LEU 25 -3.754 -5.158 1.442 291 HD12 LEU 25 HD12 LEU 25 -4.804 -4.617 2.752 292 HD13 LEU 25 HD13 LEU 25 -4.893 -3.838 1.172 293 HD21 LEU 25 HD21 LEU 25 -6.252 -7.848 1.506 294 HD22 LEU 25 HD22 LEU 25 -5.637 -7.057 2.956 295 HD23 LEU 25 HD23 LEU 25 -4.537 -7.461 1.638 296 H ILE 26 HN ILE 26 -9.508 -4.187 0.002 297 HA ILE 26 HA ILE 26 -11.114 -3.285 2.115 298 HB ILE 26 HB ILE 26 -11.496 -2.818 -0.845 299 HG12 ILE 26 HG12 ILE 26 -9.277 -2.132 -0.096 300 HG13 ILE 26 HG11 ILE 26 -10.265 -0.720 -0.448 301 HG21 ILE 26 HG21 ILE 26 -13.496 -2.264 0.394 302 HG22 ILE 26 HG22 ILE 26 -12.696 -0.790 -0.154 303 HG23 ILE 26 HG23 ILE 26 -12.554 -1.296 1.531 304 HD11 ILE 26 HD11 ILE 26 -10.661 -0.401 1.933 305 HD12 ILE 26 HD12 ILE 26 -8.939 -0.410 1.556 306 HD13 ILE 26 HD13 ILE 26 -9.686 -1.827 2.288 307 H CYS 27 HN CYS 27 -12.055 -5.135 -0.804 308 HA CYS 27 HA CYS 27 -14.786 -5.225 -0.131 309 HB2 CYS 27 HB2 CYS 27 -13.801 -5.702 -2.406 310 HB3 CYS 27 HB1 CYS 27 -13.335 -7.285 -1.792 311 H LYS 28 HN LYS 28 -12.121 -7.451 0.532 312 HA LYS 28 HA LYS 28 -13.673 -9.509 1.656 313 HB2 LYS 28 HB2 LYS 28 -10.794 -8.712 2.040 314 HB3 LYS 28 HB1 LYS 28 -11.498 -10.115 2.833 315 HG2 LYS 28 HG2 LYS 28 -11.986 -11.134 0.713 316 HG3 LYS 28 HG1 LYS 28 -11.450 -9.688 -0.144 317 HD2 LYS 28 HD2 LYS 28 -9.193 -10.008 0.621 318 HD3 LYS 28 HD1 LYS 28 -9.692 -11.356 1.645 319 HE2 LYS 28 HE2 LYS 28 -10.270 -12.670 -0.290 320 HE3 LYS 28 HE1 LYS 28 -9.948 -11.306 -1.359 321 HZ1 LYS 28 HZ1 LYS 28 -8.131 -12.955 -1.260 322 HZ2 LYS 28 HZ2 LYS 28 -7.903 -12.577 0.372 323 HZ3 LYS 28 HZ3 LYS 28 -7.647 -11.398 -0.817 324 H GLY 29 HN GLY 29 -12.375 -6.532 2.981 325 HA2 GLY 29 HA2 GLY 29 -12.850 -7.067 5.714 326 HA3 GLY 29 HA1 GLY 29 -12.738 -5.471 4.984 327 H PHE 30 HN PHE 30 -14.960 -6.179 3.109 328 HA PHE 30 HA PHE 30 -17.144 -5.535 4.913 329 HB2 PHE 30 HB2 PHE 30 -16.953 -5.573 1.900 330 HB3 PHE 30 HB1 PHE 30 -18.446 -5.235 2.768 331 HD1 PHE 30 HD1 PHE 30 -18.575 -3.228 4.237 332 HD2 PHE 30 HD2 PHE 30 -15.303 -3.911 1.611 333 HE1 PHE 30 HE1 PHE 30 -17.953 -0.854 4.401 334 HE2 PHE 30 HE2 PHE 30 -14.677 -1.539 1.774 335 HZ PHE 30 HZ PHE 30 -15.999 -0.008 3.169 336 H ILE 31 HN ILE 31 -15.844 -8.277 3.446 337 HA ILE 31 HA ILE 31 -18.387 -9.710 3.427 338 HB ILE 31 HB ILE 31 -15.634 -10.695 2.652 339 HG12 ILE 31 HG12 ILE 31 -17.935 -9.788 0.908 340 HG13 ILE 31 HG11 ILE 31 -16.467 -8.864 1.207 341 HG21 ILE 31 HG21 ILE 31 -18.361 -11.903 2.192 342 HG22 ILE 31 HG22 ILE 31 -17.143 -12.496 3.321 343 HG23 ILE 31 HG23 ILE 31 -16.835 -12.543 1.585 344 HD11 ILE 31 HD11 ILE 31 -16.621 -11.535 -0.171 345 HD12 ILE 31 HD12 ILE 31 -15.150 -10.607 0.123 346 HD13 ILE 31 HD13 ILE 31 -16.395 -9.970 -0.951 347 H GLN 32 HN GLN 32 -15.223 -9.782 5.002 348 HA GLN 32 HA GLN 32 -15.698 -12.091 6.553 349 HB2 GLN 32 HB2 GLN 32 -13.756 -9.820 6.931 350 HB3 GLN 32 HB1 GLN 32 -13.723 -11.310 7.864 351 HG2 GLN 32 HG2 GLN 32 -13.342 -12.581 5.816 352 HG3 GLN 32 HG1 GLN 32 -13.378 -11.089 4.881 353 HE21 GLN 32 HE21 GLN 32 -11.254 -13.065 5.181 354 HE22 GLN 32 HE22 GLN 32 -9.880 -12.199 5.776 355 H ASP 33 HN ASP 33 -16.150 -8.648 7.217 356 HA ASP 33 HA ASP 33 -16.854 -9.121 9.974 357 HB2 ASP 33 HB2 ASP 33 -15.800 -6.967 8.973 358 HB3 ASP 33 HB1 ASP 33 -17.442 -6.576 8.490 359 HA PRO 34 HA PRO 34 -21.054 -10.265 9.049 360 HB2 PRO 34 HB2 PRO 34 -21.557 -9.608 11.881 361 HB3 PRO 34 HB1 PRO 34 -21.766 -11.138 11.028 362 HG2 PRO 34 HG2 PRO 34 -19.779 -10.759 12.795 363 HG3 PRO 34 HG1 PRO 34 -19.581 -11.778 11.360 364 HD2 PRO 34 HD2 PRO 34 -18.610 -9.001 11.866 365 HD3 PRO 34 HD1 PRO 34 -17.821 -10.338 11.003 366 H ASP 35 HN ASP 35 -20.245 -7.351 10.850 367 HA ASP 35 HA ASP 35 -22.785 -6.080 10.683 368 HB2 ASP 35 HB2 ASP 35 -19.975 -5.023 11.061 369 HB3 ASP 35 HB1 ASP 35 -21.402 -3.982 11.073 370 H LEU 36 HN LEU 36 -19.990 -6.235 8.671 371 HA LEU 36 HA LEU 36 -20.809 -4.120 6.912 372 HB2 LEU 36 HB2 LEU 36 -18.556 -6.110 6.934 373 HB3 LEU 36 HB1 LEU 36 -18.728 -4.844 5.740 374 HG LEU 36 HG LEU 36 -17.156 -4.598 7.831 375 HD11 LEU 36 HD11 LEU 36 -17.320 -2.944 6.106 376 HD12 LEU 36 HD12 LEU 36 -17.467 -2.126 7.663 377 HD13 LEU 36 HD13 LEU 36 -18.910 -2.450 6.694 378 HD21 LEU 36 HD21 LEU 36 -18.635 -4.836 9.606 379 HD22 LEU 36 HD22 LEU 36 -19.744 -3.636 8.934 380 HD23 LEU 36 HD23 LEU 36 -18.162 -3.137 9.539 381 H LYS 37 HN LYS 37 -20.482 -7.622 6.899 382 HA LYS 37 HA LYS 37 -21.103 -8.154 4.230 383 HB2 LYS 37 HB2 LYS 37 -20.094 -9.795 5.734 384 HB3 LYS 37 HB1 LYS 37 -21.559 -9.836 6.699 385 HG2 LYS 37 HG2 LYS 37 -21.435 -11.785 5.290 386 HG3 LYS 37 HG1 LYS 37 -22.783 -10.767 4.790 387 HD2 LYS 37 HD2 LYS 37 -21.494 -9.907 2.935 388 HD3 LYS 37 HD1 LYS 37 -20.070 -10.798 3.474 389 HE2 LYS 37 HE2 LYS 37 -21.183 -11.934 1.621 390 HE3 LYS 37 HE1 LYS 37 -21.224 -12.907 3.090 391 HZ1 LYS 37 HZ1 LYS 37 -23.506 -12.139 3.460 392 HZ2 LYS 37 HZ2 LYS 37 -23.351 -12.957 1.988 393 HZ3 LYS 37 HZ3 LYS 37 -23.453 -11.272 2.007 394 H LYS 38 HN LYS 38 -23.155 -7.549 6.994 395 HA LYS 38 HA LYS 38 -25.529 -8.617 5.965 396 HB2 LYS 38 HB2 LYS 38 -26.668 -7.403 7.710 397 HB3 LYS 38 HB1 LYS 38 -25.162 -8.050 8.338 398 HG2 LYS 38 HG2 LYS 38 -25.154 -5.973 9.257 399 HG3 LYS 38 HG1 LYS 38 -24.240 -5.680 7.781 400 HD2 LYS 38 HD2 LYS 38 -26.258 -4.817 6.702 401 HD3 LYS 38 HD1 LYS 38 -27.181 -5.124 8.177 402 HE2 LYS 38 HE2 LYS 38 -24.793 -3.292 7.996 403 HE3 LYS 38 HE1 LYS 38 -26.467 -2.757 7.914 404 HZ1 LYS 38 HZ1 LYS 38 -25.253 -4.189 10.219 405 HZ2 LYS 38 HZ2 LYS 38 -26.826 -3.575 10.140 406 HZ3 LYS 38 HZ3 LYS 38 -25.508 -2.519 10.138 407 H ARG 39 HN ARG 39 -23.963 -5.537 5.415 408 HA ARG 39 HA ARG 39 -26.263 -4.532 3.928 409 HB2 ARG 39 HB2 ARG 39 -25.015 -2.972 5.352 410 HB3 ARG 39 HB1 ARG 39 -23.548 -3.298 4.443 411 HG2 ARG 39 HG2 ARG 39 -24.613 -1.162 3.839 412 HG3 ARG 39 HG1 ARG 39 -24.479 -2.271 2.475 413 HD2 ARG 39 HD2 ARG 39 -26.655 -1.120 2.557 414 HD3 ARG 39 HD1 ARG 39 -26.808 -2.871 2.683 415 HE ARG 39 HE ARG 39 -26.701 -1.690 5.259 416 HH11 ARG 39 HH11 ARG 39 -28.833 -2.073 2.509 417 HH12 ARG 39 HH12 ARG 39 -30.284 -2.000 3.459 418 HH21 ARG 39 HH21 ARG 39 -28.623 -1.595 6.513 419 HH22 ARG 39 HH22 ARG 39 -30.163 -1.732 5.720 420 H PHE 40 HN PHE 40 -23.043 -5.780 3.423 421 HA PHE 40 HA PHE 40 -22.667 -5.374 0.702 422 HB2 PHE 40 HB2 PHE 40 -21.020 -6.323 2.312 423 HB3 PHE 40 HB1 PHE 40 -21.941 -7.816 2.333 424 HD1 PHE 40 HD1 PHE 40 -21.553 -9.486 0.746 425 HD2 PHE 40 HD2 PHE 40 -19.963 -5.586 0.142 426 HE1 PHE 40 HE1 PHE 40 -20.196 -10.334 -1.122 427 HE2 PHE 40 HE2 PHE 40 -18.608 -6.425 -1.731 428 HZ PHE 40 HZ PHE 40 -18.721 -8.801 -2.364 429 H ASP 41 HN ASP 41 -24.509 -7.862 2.392 430 HA ASP 41 HA ASP 41 -25.177 -9.328 0.029 431 HB2 ASP 41 HB2 ASP 41 -25.089 -10.395 2.242 432 HB3 ASP 41 HB1 ASP 41 -26.436 -9.396 2.778 433 H GLU 42 HN GLU 42 -26.713 -6.770 1.875 434 HA GLU 42 HA GLU 42 -29.312 -6.969 0.862 435 HB2 GLU 42 HB2 GLU 42 -27.750 -4.600 1.878 436 HB3 GLU 42 HB1 GLU 42 -29.451 -4.515 1.454 437 HG2 GLU 42 HG2 GLU 42 -28.260 -6.301 3.558 438 HG3 GLU 42 HG1 GLU 42 -29.109 -4.785 3.853 439 H ILE 43 HN ILE 43 -26.457 -5.358 -0.410 440 HA ILE 43 HA ILE 43 -28.000 -4.140 -2.553 441 HB ILE 43 HB ILE 43 -24.998 -4.041 -2.233 442 HG12 ILE 43 HG12 ILE 43 -26.021 -3.331 -0.113 443 HG13 ILE 43 HG11 ILE 43 -25.288 -1.971 -0.951 444 HG21 ILE 43 HG21 ILE 43 -26.990 -2.195 -3.547 445 HG22 ILE 43 HG22 ILE 43 -25.822 -3.238 -4.359 446 HG23 ILE 43 HG23 ILE 43 -25.262 -1.873 -3.391 447 HD11 ILE 43 HD11 ILE 43 -27.411 -1.350 0.031 448 HD12 ILE 43 HD12 ILE 43 -28.222 -2.629 -0.873 449 HD13 ILE 43 HD13 ILE 43 -27.495 -1.269 -1.729 450 H LYS 44 HN LYS 44 -26.695 -7.085 -1.951 451 HA LYS 44 HA LYS 44 -26.154 -8.917 -3.166 452 HB2 LYS 44 HB2 LYS 44 -27.623 -7.375 -5.303 453 HB3 LYS 44 HB1 LYS 44 -27.079 -9.034 -5.503 454 HG2 LYS 44 HG2 LYS 44 -29.009 -8.077 -3.399 455 HG3 LYS 44 HG1 LYS 44 -29.450 -8.882 -4.904 456 HD2 LYS 44 HD2 LYS 44 -27.737 -10.063 -2.716 457 HD3 LYS 44 HD1 LYS 44 -29.436 -10.432 -3.000 458 HE2 LYS 44 HE2 LYS 44 -27.165 -10.953 -4.919 459 HE3 LYS 44 HE1 LYS 44 -27.981 -12.161 -3.929 460 HZ1 LYS 44 HZ1 LYS 44 -29.208 -10.554 -6.101 461 HZ2 LYS 44 HZ2 LYS 44 -30.047 -11.635 -5.107 462 HZ3 LYS 44 HZ3 LYS 44 -28.847 -12.205 -6.152 463 H MET 45 HN MET 45 -24.168 -6.975 -2.905 464 HA MET 45 HA MET 45 -22.920 -6.692 -5.514 465 HB2 MET 45 HB2 MET 45 -22.929 -4.792 -3.953 466 HB3 MET 45 HB1 MET 45 -22.032 -5.751 -2.783 467 HG2 MET 45 HG2 MET 45 -20.103 -5.792 -4.167 468 HG3 MET 45 HG1 MET 45 -20.990 -5.112 -5.530 469 HE1 MET 45 HE1 MET 45 -20.337 -2.704 -1.670 470 HE2 MET 45 HE2 MET 45 -19.981 -4.428 -1.802 471 HE3 MET 45 HE3 MET 45 -21.646 -3.859 -1.922 472 H THR 46 HN THR 46 -20.825 -7.499 -5.987 473 HA THR 46 HA THR 46 -20.057 -9.814 -4.340 474 HB THR 46 HB THR 46 -19.139 -10.791 -6.448 475 HG1 THR 46 HG1 THR 46 -20.710 -8.946 -7.893 476 HG21 THR 46 HG21 THR 46 -22.086 -10.136 -6.497 477 HG22 THR 46 HG22 THR 46 -21.336 -11.474 -5.626 478 HG23 THR 46 HG23 THR 46 -21.308 -11.444 -7.388 479 H TYR 47 HN TYR 47 -17.745 -10.407 -4.477 480 HA TYR 47 HA TYR 47 -15.968 -8.331 -3.921 481 HB2 TYR 47 HB2 TYR 47 -15.524 -10.611 -3.231 482 HB3 TYR 47 HB1 TYR 47 -15.480 -11.155 -4.901 483 HD1 TYR 47 HD1 TYR 47 -13.624 -9.475 -2.229 484 HD2 TYR 47 HD2 TYR 47 -13.533 -10.736 -6.295 485 HE1 TYR 47 HE1 TYR 47 -11.183 -9.165 -2.270 486 HE2 TYR 47 HE2 TYR 47 -11.098 -10.426 -6.345 487 HH TYR 47 HH TYR 47 -9.232 -9.976 -3.540 488 H GLU 48 HN GLU 48 -16.696 -10.008 -6.909 489 HA GLU 48 HA GLU 48 -14.657 -8.916 -8.510 490 HB2 GLU 48 HB2 GLU 48 -17.373 -10.011 -9.256 491 HB3 GLU 48 HB1 GLU 48 -16.079 -9.672 -10.399 492 HG2 GLU 48 HG2 GLU 48 -14.704 -11.368 -9.484 493 HG3 GLU 48 HG1 GLU 48 -15.772 -11.574 -8.097 494 H GLN 49 HN GLN 49 -17.699 -7.654 -7.440 495 HA GLN 49 HA GLN 49 -17.788 -5.538 -9.398 496 HB2 GLN 49 HB2 GLN 49 -19.845 -6.413 -8.359 497 HB3 GLN 49 HB1 GLN 49 -19.284 -5.861 -6.787 498 HG2 GLN 49 HG2 GLN 49 -20.882 -4.292 -7.592 499 HG3 GLN 49 HG1 GLN 49 -19.294 -3.535 -7.668 500 HE21 GLN 49 HE21 GLN 49 -20.423 -5.923 -9.958 501 HE22 GLN 49 HE22 GLN 49 -20.543 -4.853 -11.309 502 H CYS 50 HN CYS 50 -16.988 -5.844 -5.963 503 HA CYS 50 HA CYS 50 -16.422 -3.222 -5.335 504 HB2 CYS 50 HB2 CYS 50 -14.783 -5.556 -4.366 505 HB3 CYS 50 HB1 CYS 50 -15.085 -4.039 -3.533 506 H VAL 51 HN VAL 51 -14.301 -5.602 -6.881 507 HA VAL 51 HA VAL 51 -11.985 -3.992 -6.603 508 HB VAL 51 HB VAL 51 -10.903 -5.597 -8.175 509 HG11 VAL 51 HG11 VAL 51 -11.031 -7.509 -6.620 510 HG12 VAL 51 HG12 VAL 51 -12.401 -6.737 -5.821 511 HG13 VAL 51 HG13 VAL 51 -10.813 -5.964 -5.795 512 HG21 VAL 51 HG21 VAL 51 -12.135 -7.620 -8.796 513 HG22 VAL 51 HG22 VAL 51 -12.849 -6.177 -9.516 514 HG23 VAL 51 HG23 VAL 51 -13.608 -6.929 -8.112 515 H THR 52 HN THR 52 -14.536 -3.840 -8.854 516 HA THR 52 HA THR 52 -12.861 -2.430 -10.780 517 HB THR 52 HB THR 52 -14.809 -4.006 -11.427 518 HG1 THR 52 HG1 THR 52 -14.528 -1.388 -12.531 519 HG21 THR 52 HG21 THR 52 -16.385 -1.491 -10.905 520 HG22 THR 52 HG22 THR 52 -16.513 -2.983 -9.976 521 HG23 THR 52 HG23 THR 52 -16.987 -2.960 -11.675 522 H LEU 53 HN LEU 53 -14.539 -1.794 -7.970 523 HA LEU 53 HA LEU 53 -15.255 0.948 -8.707 524 HB2 LEU 53 HB2 LEU 53 -15.853 -0.550 -6.162 525 HB3 LEU 53 HB1 LEU 53 -16.536 0.986 -6.654 526 HG LEU 53 HG LEU 53 -17.036 -1.702 -7.916 527 HD11 LEU 53 HD11 LEU 53 -19.372 -1.241 -7.223 528 HD12 LEU 53 HD12 LEU 53 -18.791 0.181 -6.356 529 HD13 LEU 53 HD13 LEU 53 -18.255 -1.429 -5.872 530 HD21 LEU 53 HD21 LEU 53 -18.605 -0.550 -9.390 531 HD22 LEU 53 HD22 LEU 53 -16.945 -0.018 -9.649 532 HD23 LEU 53 HD23 LEU 53 -18.067 1.001 -8.746 533 H ILE 54 HN ILE 54 -13.439 -0.886 -6.311 534 HA ILE 54 HA ILE 54 -12.611 1.158 -4.656 535 HB ILE 54 HB ILE 54 -11.146 -1.396 -5.310 536 HG12 ILE 54 HG12 ILE 54 -13.422 -1.727 -4.443 537 HG13 ILE 54 HG11 ILE 54 -12.216 -2.237 -3.267 538 HG21 ILE 54 HG21 ILE 54 -10.118 -1.052 -3.049 539 HG22 ILE 54 HG22 ILE 54 -10.768 0.587 -3.076 540 HG23 ILE 54 HG23 ILE 54 -9.589 0.087 -4.284 541 HD11 ILE 54 HD11 ILE 54 -12.510 -0.097 -2.094 542 HD12 ILE 54 HD12 ILE 54 -13.985 -1.061 -2.160 543 HD13 ILE 54 HD13 ILE 54 -13.787 0.322 -3.236 544 HA PRO 55 HA PRO 55 -8.454 1.292 -7.478 545 HB2 PRO 55 HB2 PRO 55 -10.081 1.383 -9.986 546 HB3 PRO 55 HB1 PRO 55 -8.423 0.818 -9.740 547 HG2 PRO 55 HG2 PRO 55 -10.382 -0.940 -9.939 548 HG3 PRO 55 HG1 PRO 55 -9.114 -1.157 -8.715 549 HD2 PRO 55 HD2 PRO 55 -11.930 -0.225 -8.388 550 HD3 PRO 55 HD1 PRO 55 -10.939 -1.225 -7.310 551 H GLU 56 HN GLU 56 -11.501 3.032 -7.763 552 HA GLU 56 HA GLU 56 -10.056 5.379 -8.725 553 HB2 GLU 56 HB2 GLU 56 -12.153 6.476 -8.992 554 HB3 GLU 56 HB1 GLU 56 -12.304 4.859 -9.651 555 HG2 GLU 56 HG2 GLU 56 -13.539 4.137 -7.712 556 HG3 GLU 56 HG1 GLU 56 -13.294 5.707 -6.942 557 H SER 57 HN SER 57 -11.351 4.058 -5.815 558 HA SER 57 HA SER 57 -11.182 6.501 -4.304 559 HB2 SER 57 HB2 SER 57 -11.368 3.675 -3.254 560 HB3 SER 57 HB1 SER 57 -11.877 5.155 -2.448 561 HG SER 57 HG SER 57 -13.656 5.239 -3.655 562 H THR 58 HN THR 58 -9.159 3.800 -5.089 563 HA THR 58 HA THR 58 -7.289 3.897 -3.015 564 HB THR 58 HB THR 58 -5.729 2.795 -4.618 565 HG1 THR 58 HG1 THR 58 -6.441 2.427 -6.728 566 HG21 THR 58 HG21 THR 58 -8.545 1.715 -4.642 567 HG22 THR 58 HG22 THR 58 -7.348 1.452 -3.373 568 HG23 THR 58 HG23 THR 58 -7.084 0.788 -4.988 569 H LYS 59 HN LYS 59 -7.043 5.320 -6.270 570 HA LYS 59 HA LYS 59 -4.623 6.655 -5.886 571 HB2 LYS 59 HB2 LYS 59 -5.844 6.219 -8.065 572 HB3 LYS 59 HB1 LYS 59 -6.867 7.592 -7.676 573 HG2 LYS 59 HG2 LYS 59 -5.116 8.225 -9.229 574 HG3 LYS 59 HG1 LYS 59 -4.913 9.057 -7.688 575 HD2 LYS 59 HD2 LYS 59 -3.108 7.670 -7.062 576 HD3 LYS 59 HD1 LYS 59 -3.461 6.505 -8.338 577 HE2 LYS 59 HE2 LYS 59 -1.504 7.846 -8.896 578 HE3 LYS 59 HE1 LYS 59 -2.820 8.150 -10.026 579 HZ1 LYS 59 HZ1 LYS 59 -1.721 10.194 -9.365 580 HZ2 LYS 59 HZ2 LYS 59 -2.064 9.893 -7.739 581 HZ3 LYS 59 HZ3 LYS 59 -3.323 10.189 -8.825 582 H LYS 60 HN LYS 60 -7.926 7.627 -5.215 583 HA LYS 60 HA LYS 60 -7.461 10.327 -4.591 584 HB2 LYS 60 HB2 LYS 60 -9.701 9.564 -4.965 585 HB3 LYS 60 HB1 LYS 60 -9.580 8.386 -3.666 586 HG2 LYS 60 HG2 LYS 60 -9.401 10.238 -2.047 587 HG3 LYS 60 HG1 LYS 60 -9.622 11.382 -3.370 588 HD2 LYS 60 HD2 LYS 60 -11.598 9.216 -2.674 589 HD3 LYS 60 HD1 LYS 60 -11.694 10.867 -2.059 590 HE2 LYS 60 HE2 LYS 60 -11.689 10.117 -4.980 591 HE3 LYS 60 HE1 LYS 60 -13.136 10.455 -4.033 592 HZ1 LYS 60 HZ1 LYS 60 -10.916 12.368 -4.521 593 HZ2 LYS 60 HZ2 LYS 60 -12.323 12.688 -3.639 594 HZ3 LYS 60 HZ3 LYS 60 -12.418 12.382 -5.298 595 H CYS 61 HN CYS 61 -7.836 7.535 -2.388 596 HA CYS 61 HA CYS 61 -7.163 9.036 -0.078 597 HB2 CYS 61 HB2 CYS 61 -7.208 6.054 -0.545 598 HB3 CYS 61 HB1 CYS 61 -7.014 6.819 1.032 599 H GLN 62 HN GLN 62 -5.260 7.418 -2.457 600 HA GLN 62 HA GLN 62 -2.846 7.178 -1.055 601 HB2 GLN 62 HB2 GLN 62 -3.117 6.181 -3.237 602 HB3 GLN 62 HB1 GLN 62 -3.407 7.747 -3.971 603 HG2 GLN 62 HG2 GLN 62 -0.827 7.302 -2.572 604 HG3 GLN 62 HG1 GLN 62 -1.076 6.533 -4.139 605 HE21 GLN 62 HE21 GLN 62 -2.783 8.772 -5.071 606 HE22 GLN 62 HE22 GLN 62 -1.689 10.058 -5.433 607 H ASP 63 HN ASP 63 -4.121 9.840 -3.024 608 HA ASP 63 HA ASP 63 -2.012 11.642 -2.592 609 HB2 ASP 63 HB2 ASP 63 -3.609 11.980 -4.385 610 HB3 ASP 63 HB1 ASP 63 -4.924 12.154 -3.228 611 H GLU 64 HN GLU 64 -4.783 10.803 -0.691 612 HA GLU 64 HA GLU 64 -4.977 13.002 1.017 613 HB2 GLU 64 HB2 GLU 64 -5.513 10.067 1.509 614 HB3 GLU 64 HB1 GLU 64 -5.983 11.347 2.612 615 HG2 GLU 64 HG2 GLU 64 -6.920 11.075 -0.235 616 HG3 GLU 64 HG1 GLU 64 -7.841 10.618 1.196 617 H LEU 65 HN LEU 65 -3.251 9.963 1.499 618 HA LEU 65 HA LEU 65 -2.032 10.976 3.927 619 HB2 LEU 65 HB2 LEU 65 -1.793 8.270 2.621 620 HB3 LEU 65 HB1 LEU 65 -1.313 8.687 4.255 621 HG LEU 65 HG LEU 65 -4.160 9.057 3.410 622 HD11 LEU 65 HD11 LEU 65 -3.679 6.804 2.757 623 HD12 LEU 65 HD12 LEU 65 -4.630 6.788 4.242 624 HD13 LEU 65 HD13 LEU 65 -2.896 6.479 4.305 625 HD21 LEU 65 HD21 LEU 65 -2.824 8.428 6.037 626 HD22 LEU 65 HD22 LEU 65 -4.558 8.632 5.790 627 HD23 LEU 65 HD23 LEU 65 -3.466 9.992 5.536 628 H TYR 66 HN TYR 66 -1.143 10.345 0.637 629 HA TYR 66 HA TYR 66 1.500 9.759 0.620 630 HB2 TYR 66 HB2 TYR 66 0.221 9.964 -1.401 631 HB3 TYR 66 HB1 TYR 66 0.004 11.687 -1.156 632 HD1 TYR 66 HD1 TYR 66 1.461 13.187 -2.188 633 HD2 TYR 66 HD2 TYR 66 2.649 9.132 -1.736 634 HE1 TYR 66 HE1 TYR 66 3.425 13.607 -3.608 635 HE2 TYR 66 HE2 TYR 66 4.617 9.539 -3.146 636 HH TYR 66 HH TYR 66 5.298 11.111 -4.919 637 H ALA 67 HN ALA 67 0.184 13.001 1.205 638 HA ALA 67 HA ALA 67 2.708 14.301 1.046 639 HB1 ALA 67 HB1 ALA 67 1.549 16.250 1.927 640 HB2 ALA 67 HB2 ALA 67 0.158 15.246 2.338 641 HB3 ALA 67 HB3 ALA 67 0.611 15.476 0.649 642 H SER 68 HN SER 68 0.986 12.713 3.621 643 HA SER 68 HA SER 68 2.717 13.852 5.671 644 HB2 SER 68 HB2 SER 68 0.470 11.846 5.952 645 HB3 SER 68 HB1 SER 68 1.253 12.740 7.256 646 HG SER 68 HG SER 68 -0.058 14.321 6.873 647 H MET 69 HN MET 69 2.493 11.110 3.674 648 HA MET 69 HA MET 69 3.687 9.139 5.301 649 HB2 MET 69 HB2 MET 69 3.558 9.475 2.305 650 HB3 MET 69 HB1 MET 69 4.217 8.050 3.090 651 HG2 MET 69 HG2 MET 69 2.084 7.564 4.097 652 HG3 MET 69 HG1 MET 69 1.406 9.054 3.443 653 HE1 MET 69 HE1 MET 69 2.865 5.515 2.586 654 HE2 MET 69 HE2 MET 69 3.889 6.601 1.647 655 HE3 MET 69 HE3 MET 69 2.772 5.515 0.825 656 HA PRO 70 HA PRO 70 7.961 10.364 5.243 657 HB2 PRO 70 HB2 PRO 70 9.118 7.985 5.760 658 HB3 PRO 70 HB1 PRO 70 8.207 8.871 6.989 659 HG2 PRO 70 HG2 PRO 70 7.319 6.589 5.258 660 HG3 PRO 70 HG1 PRO 70 7.077 6.827 7.000 661 HD2 PRO 70 HD2 PRO 70 5.149 7.377 5.186 662 HD3 PRO 70 HD1 PRO 70 5.336 8.306 6.688 663 H ASP 71 HN ASP 71 10.102 9.555 4.208 664 HA ASP 71 HA ASP 71 9.733 9.569 1.423 665 HB2 ASP 71 HB2 ASP 71 11.780 10.383 2.605 666 HB3 ASP 71 HB1 ASP 71 12.222 8.703 2.899 667 H LYS 72 HN LYS 72 10.613 6.944 3.618 668 HA LYS 72 HA LYS 72 10.090 5.062 1.427 669 HB2 LYS 72 HB2 LYS 72 12.171 4.782 3.592 670 HB3 LYS 72 HB1 LYS 72 11.834 3.598 2.342 671 HG2 LYS 72 HG2 LYS 72 12.539 5.191 0.634 672 HG3 LYS 72 HG1 LYS 72 12.868 6.388 1.887 673 HD2 LYS 72 HD2 LYS 72 14.578 4.959 2.844 674 HD3 LYS 72 HD1 LYS 72 14.210 3.694 1.669 675 HE2 LYS 72 HE2 LYS 72 16.191 4.901 0.985 676 HE3 LYS 72 HE1 LYS 72 14.877 5.218 -0.144 677 HZ1 LYS 72 HZ1 LYS 72 14.498 7.349 0.905 678 HZ2 LYS 72 HZ2 LYS 72 16.124 7.224 0.434 679 HZ3 LYS 72 HZ3 LYS 72 15.700 7.031 2.058 680 H ILE 73 HN ILE 73 9.379 2.941 2.089 681 HA ILE 73 HA ILE 73 7.723 3.091 4.524 682 HB ILE 73 HB ILE 73 6.978 1.880 1.855 683 HG12 ILE 73 HG12 ILE 73 6.986 4.337 1.802 684 HG13 ILE 73 HG11 ILE 73 5.354 3.693 1.662 685 HG21 ILE 73 HG21 ILE 73 4.780 1.522 2.808 686 HG22 ILE 73 HG22 ILE 73 5.307 2.220 4.338 687 HG23 ILE 73 HG23 ILE 73 6.006 0.701 3.775 688 HD11 ILE 73 HD11 ILE 73 4.965 4.199 4.020 689 HD12 ILE 73 HD12 ILE 73 5.405 5.637 3.098 690 HD13 ILE 73 HD13 ILE 73 6.595 4.859 4.141 691 H ASN 74 HN ASN 74 8.402 1.588 5.926 692 HA ASN 74 HA ASN 74 9.526 -0.923 4.949 693 HB2 ASN 74 HB2 ASN 74 9.282 0.239 7.732 694 HB3 ASN 74 HB1 ASN 74 9.938 -1.356 7.396 695 HD21 ASN 74 HD21 ASN 74 10.458 2.055 7.195 696 HD22 ASN 74 HD22 ASN 74 12.129 1.985 6.761 697 H SER 75 HN SER 75 8.749 -2.851 6.589 698 HA SER 75 HA SER 75 6.119 -3.410 5.771 699 HB2 SER 75 HB2 SER 75 7.777 -4.706 7.945 700 HB3 SER 75 HB1 SER 75 6.288 -5.374 7.278 701 HG SER 75 HG SER 75 8.193 -4.655 5.405 702 H GLU 76 HN GLU 76 7.407 -2.294 8.872 703 HA GLU 76 HA GLU 76 4.987 -2.193 10.296 704 HB2 GLU 76 HB2 GLU 76 7.197 -1.950 11.354 705 HB3 GLU 76 HB1 GLU 76 7.422 -0.413 10.532 706 HG2 GLU 76 HG2 GLU 76 5.412 0.438 11.751 707 HG3 GLU 76 HG1 GLU 76 5.420 -1.062 12.680 708 H THR 77 HN THR 77 6.584 0.095 8.169 709 HA THR 77 HA THR 77 4.867 2.289 8.655 710 HB THR 77 HB THR 77 6.350 1.906 6.071 711 HG1 THR 77 HG1 THR 77 7.496 2.507 8.622 712 HG21 THR 77 HG21 THR 77 5.917 4.273 7.893 713 HG22 THR 77 HG22 THR 77 5.086 3.967 6.370 714 HG23 THR 77 HG23 THR 77 6.817 4.305 6.378 715 H ALA 78 HN ALA 78 4.970 -0.272 6.247 716 HA ALA 78 HA ALA 78 2.984 0.575 4.503 717 HB1 ALA 78 HB1 ALA 78 4.479 -1.288 4.038 718 HB2 ALA 78 HB2 ALA 78 2.794 -1.784 3.864 719 HB3 ALA 78 HB3 ALA 78 3.707 -2.240 5.304 720 H GLY 79 HN GLY 79 2.682 -1.526 7.358 721 HA2 GLY 79 HA2 GLY 79 -0.113 -1.859 7.185 722 HA3 GLY 79 HA1 GLY 79 0.858 -2.097 8.630 723 H THR 80 HN THR 80 1.877 0.580 8.733 724 HA THR 80 HA THR 80 -0.106 1.762 10.327 725 HB THR 80 HB THR 80 2.355 3.059 9.133 726 HG1 THR 80 HG1 THR 80 2.742 1.155 10.459 727 HG21 THR 80 HG21 THR 80 2.189 4.618 11.017 728 HG22 THR 80 HG22 THR 80 0.693 3.840 11.535 729 HG23 THR 80 HG23 THR 80 0.752 4.701 9.997 730 H TRP 81 HN TRP 81 0.915 2.428 6.990 731 HA TRP 81 HA TRP 81 -1.042 4.576 6.818 732 HB2 TRP 81 HB2 TRP 81 1.027 3.606 4.851 733 HB3 TRP 81 HB1 TRP 81 -0.103 4.927 4.529 734 HD1 TRP 81 HD1 TRP 81 3.145 4.168 6.274 735 HE1 TRP 81 HE1 TRP 81 4.043 6.303 7.402 736 HE3 TRP 81 HE3 TRP 81 -0.959 7.146 5.721 737 HZ2 TRP 81 HZ2 TRP 81 3.122 8.917 7.968 738 HZ3 TRP 81 HZ3 TRP 81 -0.879 9.446 6.580 739 HH2 TRP 81 HH2 TRP 81 1.121 10.315 7.683 740 H GLY 82 HN GLY 82 -0.554 1.329 5.539 741 HA2 GLY 82 HA2 GLY 82 -2.617 1.381 3.605 742 HA3 GLY 82 HA1 GLY 82 -1.986 -0.063 4.402 743 H ARG 83 HN ARG 83 -2.741 0.930 7.104 744 HA ARG 83 HA ARG 83 -5.433 0.005 7.145 745 HB2 ARG 83 HB2 ARG 83 -5.402 0.529 9.542 746 HB3 ARG 83 HB1 ARG 83 -3.950 -0.340 9.071 747 HG2 ARG 83 HG2 ARG 83 -2.705 1.759 9.040 748 HG3 ARG 83 HG1 ARG 83 -4.163 2.627 9.515 749 HD2 ARG 83 HD2 ARG 83 -4.229 1.247 11.586 750 HD3 ARG 83 HD1 ARG 83 -2.679 0.550 11.117 751 HE ARG 83 HE ARG 83 -2.447 3.340 11.081 752 HH11 ARG 83 HH11 ARG 83 -2.879 0.755 13.405 753 HH12 ARG 83 HH12 ARG 83 -2.092 1.619 14.690 754 HH21 ARG 83 HH21 ARG 83 -1.422 4.471 12.761 755 HH22 ARG 83 HH22 ARG 83 -1.276 3.735 14.328 756 H SER 84 HN SER 84 -3.961 3.218 7.547 757 HA SER 84 HA SER 84 -6.375 4.664 7.810 758 HB2 SER 84 HB2 SER 84 -3.700 5.586 6.706 759 HB3 SER 84 HB1 SER 84 -4.991 6.632 7.305 760 HG SER 84 HG SER 84 -4.647 5.130 9.296 761 H LEU 85 HN LEU 85 -4.353 3.791 5.111 762 HA LEU 85 HA LEU 85 -5.654 5.074 3.012 763 HB2 LEU 85 HB2 LEU 85 -3.405 3.963 3.053 764 HB3 LEU 85 HB1 LEU 85 -4.218 2.417 3.029 765 HG LEU 85 HG LEU 85 -5.041 2.820 0.817 766 HD11 LEU 85 HD11 LEU 85 -4.397 4.855 -0.428 767 HD12 LEU 85 HD12 LEU 85 -3.694 5.511 1.052 768 HD13 LEU 85 HD13 LEU 85 -5.431 5.222 0.952 769 HD21 LEU 85 HD21 LEU 85 -2.117 3.479 1.086 770 HD22 LEU 85 HD22 LEU 85 -2.904 2.939 -0.396 771 HD23 LEU 85 HD23 LEU 85 -2.827 1.867 1.002 772 H GLY 86 HN GLY 86 -6.106 1.820 4.370 773 HA2 GLY 86 HA2 GLY 86 -8.135 1.034 2.573 774 HA3 GLY 86 HA1 GLY 86 -7.775 0.279 4.115 775 H GLU 87 HN GLU 87 -8.358 2.308 5.914 776 HA GLU 87 HA GLU 87 -11.158 2.025 6.080 777 HB2 GLU 87 HB2 GLU 87 -11.046 3.534 8.011 778 HB3 GLU 87 HB1 GLU 87 -9.794 2.304 8.082 779 HG2 GLU 87 HG2 GLU 87 -8.132 3.889 7.369 780 HG3 GLU 87 HG1 GLU 87 -9.366 5.124 7.131 781 H CYS 88 HN CYS 88 -9.125 4.633 4.901 782 HA CYS 88 HA CYS 88 -11.078 6.604 4.557 783 HB2 CYS 88 HB2 CYS 88 -8.757 7.168 4.310 784 HB3 CYS 88 HB1 CYS 88 -8.548 5.999 3.008 785 H ILE 89 HN ILE 89 -9.996 4.025 2.390 786 HA ILE 89 HA ILE 89 -11.754 4.654 0.258 787 HB ILE 89 HB ILE 89 -10.369 2.064 0.964 788 HG12 ILE 89 HG12 ILE 89 -9.675 4.090 -1.168 789 HG13 ILE 89 HG11 ILE 89 -8.960 4.101 0.443 790 HG21 ILE 89 HG21 ILE 89 -12.325 1.669 -0.447 791 HG22 ILE 89 HG22 ILE 89 -10.825 1.370 -1.324 792 HG23 ILE 89 HG23 ILE 89 -11.729 2.855 -1.609 793 HD11 ILE 89 HD11 ILE 89 -8.063 1.864 0.048 794 HD12 ILE 89 HD12 ILE 89 -7.493 3.031 -1.147 795 HD13 ILE 89 HD13 ILE 89 -8.759 1.879 -1.573 796 H GLY 90 HN GLY 90 -11.944 2.450 3.009 797 HA2 GLY 90 HA2 GLY 90 -14.287 1.087 2.358 798 HA3 GLY 90 HA1 GLY 90 -13.719 1.390 3.990 799 H LYS 91 HN LYS 91 -13.850 4.295 3.657 800 HA LYS 91 HA LYS 91 -16.569 4.721 4.406 801 HB2 LYS 91 HB2 LYS 91 -14.373 6.677 3.706 802 HB3 LYS 91 HB1 LYS 91 -15.946 7.144 4.335 803 HG2 LYS 91 HG2 LYS 91 -15.495 5.895 6.385 804 HG3 LYS 91 HG1 LYS 91 -13.914 5.434 5.751 805 HD2 LYS 91 HD2 LYS 91 -13.640 7.298 7.246 806 HD3 LYS 91 HD1 LYS 91 -13.327 7.839 5.598 807 HE2 LYS 91 HE2 LYS 91 -14.658 9.480 6.794 808 HE3 LYS 91 HE1 LYS 91 -15.601 8.766 5.489 809 HZ1 LYS 91 HZ1 LYS 91 -15.765 7.993 8.350 810 HZ2 LYS 91 HZ2 LYS 91 -16.687 7.339 7.095 811 HZ3 LYS 91 HZ3 LYS 91 -16.882 8.959 7.529 812 H ASP 92 HN ASP 92 -14.641 5.491 1.551 813 HA ASP 92 HA ASP 92 -16.701 6.910 0.204 814 HB2 ASP 92 HB2 ASP 92 -14.327 7.254 -0.332 815 HB3 ASP 92 HB1 ASP 92 -14.213 5.598 -0.921 816 H PHE 93 HN PHE 93 -15.409 3.645 -0.107 817 HA PHE 93 HA PHE 93 -17.041 2.726 -2.165 818 HB2 PHE 93 HB2 PHE 93 -15.083 1.508 -1.366 819 HB3 PHE 93 HB1 PHE 93 -15.875 1.210 0.177 820 HD1 PHE 93 HD1 PHE 93 -16.107 0.518 -3.446 821 HD2 PHE 93 HD2 PHE 93 -17.239 -0.657 0.481 822 HE1 PHE 93 HE1 PHE 93 -17.036 -1.568 -4.344 823 HE2 PHE 93 HE2 PHE 93 -18.179 -2.750 -0.408 824 HZ PHE 93 HZ PHE 93 -18.067 -3.206 -2.827 825 H ALA 94 HN ALA 94 -17.600 2.759 1.332 826 HA ALA 94 HA ALA 94 -19.954 1.224 1.327 827 HB1 ALA 94 HB1 ALA 94 -20.366 2.143 3.547 828 HB2 ALA 94 HB2 ALA 94 -19.126 3.369 3.276 829 HB3 ALA 94 HB3 ALA 94 -18.677 1.665 3.360 830 H GLU 95 HN GLU 95 -19.522 4.755 1.404 831 HA GLU 95 HA GLU 95 -22.290 5.304 1.289 832 HB2 GLU 95 HB2 GLU 95 -19.945 7.066 0.579 833 HB3 GLU 95 HB1 GLU 95 -21.591 7.620 0.863 834 HG2 GLU 95 HG2 GLU 95 -21.465 6.761 3.158 835 HG3 GLU 95 HG1 GLU 95 -19.799 6.268 2.867 836 H LYS 96 HN LYS 96 -20.061 4.357 -1.097 837 HA LYS 96 HA LYS 96 -21.510 5.465 -3.320 838 HB2 LYS 96 HB2 LYS 96 -19.102 3.763 -2.977 839 HB3 LYS 96 HB1 LYS 96 -19.968 3.624 -4.500 840 HG2 LYS 96 HG2 LYS 96 -19.678 5.968 -4.941 841 HG3 LYS 96 HG1 LYS 96 -18.959 6.214 -3.350 842 HD2 LYS 96 HD2 LYS 96 -17.025 4.987 -3.926 843 HD3 LYS 96 HD1 LYS 96 -17.782 4.331 -5.377 844 HE2 LYS 96 HE2 LYS 96 -16.150 6.112 -5.875 845 HE3 LYS 96 HE1 LYS 96 -17.779 6.507 -6.416 846 HZ1 LYS 96 HZ1 LYS 96 -16.514 7.498 -3.913 847 HZ2 LYS 96 HZ2 LYS 96 -18.058 7.905 -4.478 848 HZ3 LYS 96 HZ3 LYS 96 -16.691 8.385 -5.344 849 H HIS 97 HN HIS 97 -20.809 2.052 -2.449 850 HA HIS 97 HA HIS 97 -23.148 1.376 -4.084 851 HB2 HIS 97 HB2 HIS 97 -20.696 0.489 -4.474 852 HB3 HIS 97 HB1 HIS 97 -21.178 -0.688 -3.261 853 HD1 HIS 97 HD1 HIS 97 -21.560 0.161 -6.817 854 HD2 HIS 97 HD2 HIS 97 -23.380 -2.367 -4.071 855 HE1 HIS 97 HE1 HIS 97 -22.871 -1.490 -8.186 856 HE2 HIS 97 HE2 HIS 97 -24.118 -2.877 -6.498 857 H LEU 98 HN LEU 98 -21.928 1.103 -0.823 858 HA LEU 98 HA LEU 98 -23.788 -0.996 -0.125 859 HB2 LEU 98 HB2 LEU 98 -22.097 0.776 1.634 860 HB3 LEU 98 HB1 LEU 98 -23.065 -0.565 2.205 861 HG LEU 98 HG LEU 98 -20.668 -0.754 0.378 862 HD11 LEU 98 HD11 LEU 98 -19.627 -1.878 2.274 863 HD12 LEU 98 HD12 LEU 98 -21.083 -1.617 3.237 864 HD13 LEU 98 HD13 LEU 98 -20.120 -0.239 2.704 865 HD21 LEU 98 HD21 LEU 98 -20.911 -3.156 0.575 866 HD22 LEU 98 HD22 LEU 98 -22.367 -2.457 -0.136 867 HD23 LEU 98 HD23 LEU 98 -22.362 -2.954 1.557 868 H ILE 99 HN ILE 99 -23.584 2.500 0.179 869 HA ILE 99 HA ILE 99 -26.260 2.583 1.331 870 HB ILE 99 HB ILE 99 -24.409 4.863 0.603 871 HG12 ILE 99 HG12 ILE 99 -25.057 3.553 3.255 872 HG13 ILE 99 HG11 ILE 99 -23.503 3.545 2.429 873 HG21 ILE 99 HG21 ILE 99 -25.945 6.255 1.907 874 HG22 ILE 99 HG22 ILE 99 -27.000 4.863 2.147 875 HG23 ILE 99 HG23 ILE 99 -26.760 5.516 0.527 876 HD11 ILE 99 HD11 ILE 99 -24.884 5.924 3.642 877 HD12 ILE 99 HD12 ILE 99 -23.380 5.992 2.728 878 HD13 ILE 99 HD13 ILE 99 -23.446 5.105 4.251 879 HA PRO 100 HA PRO 100 -27.715 2.969 -2.918 880 HB2 PRO 100 HB2 PRO 100 -30.223 2.145 -2.461 881 HB3 PRO 100 HB1 PRO 100 -28.870 1.012 -2.516 882 HG2 PRO 100 HG2 PRO 100 -30.303 2.138 -0.157 883 HG3 PRO 100 HG1 PRO 100 -29.683 0.500 -0.418 884 HD2 PRO 100 HD2 PRO 100 -28.406 2.457 1.063 885 HD3 PRO 100 HD1 PRO 100 -27.608 1.047 0.345 886 H LYS 101 HN LYS 101 -28.898 4.469 -0.016 887 HA LYS 101 HA LYS 101 -30.482 6.376 -1.604 888 HB2 LYS 101 HB2 LYS 101 -30.635 6.035 1.388 889 HB3 LYS 101 HB1 LYS 101 -31.797 6.812 0.326 890 HG2 LYS 101 HG2 LYS 101 -31.199 3.862 0.403 891 HG3 LYS 101 HG1 LYS 101 -32.587 4.649 1.148 892 HD2 LYS 101 HD2 LYS 101 -33.415 5.327 -1.019 893 HD3 LYS 101 HD1 LYS 101 -31.969 4.687 -1.805 894 HE2 LYS 101 HE2 LYS 101 -32.553 2.437 -1.094 895 HE3 LYS 101 HE1 LYS 101 -33.961 3.053 -0.236 896 HZ1 LYS 101 HZ1 LYS 101 -34.900 3.764 -2.333 897 HZ2 LYS 101 HZ2 LYS 101 -34.540 2.112 -2.392 898 HZ3 LYS 101 HZ3 LYS 101 -33.531 3.224 -3.168 Start of MODEL 7 1 H1 MET -14 HT1 MET -14 17.632 19.869 -22.231 2 H2 MET -14 HT2 MET -14 18.242 21.189 -21.377 3 H3 MET -14 HT3 MET -14 17.419 21.435 -22.833 4 HA MET -14 HA MET -14 16.015 22.013 -20.991 5 HB2 MET -14 HB2 MET -14 14.995 21.035 -23.009 6 HB3 MET -14 HB1 MET -14 15.187 19.429 -22.327 7 HG2 MET -14 HG2 MET -14 13.673 20.024 -20.504 8 HG3 MET -14 HG1 MET -14 13.472 21.630 -21.203 9 HE1 MET -14 HE1 MET -14 10.838 21.360 -21.221 10 HE2 MET -14 HE2 MET -14 11.011 19.768 -20.484 11 HE3 MET -14 HE3 MET -14 10.002 19.972 -21.917 12 H ALA -13 HN ALA -13 16.544 18.472 -20.923 13 HA ALA -13 HA ALA -13 16.246 18.620 -17.995 14 HB1 ALA -13 HB1 ALA -13 14.415 17.411 -19.081 15 HB2 ALA -13 HB2 ALA -13 15.380 16.345 -18.061 16 HB3 ALA -13 HB3 ALA -13 15.579 16.307 -19.813 17 H HIS -12 HN HIS -12 18.202 18.541 -17.116 18 HA HIS -12 HA HIS -12 20.292 16.894 -18.298 19 HB2 HIS -12 HB2 HIS -12 20.275 18.828 -15.976 20 HB3 HIS -12 HB1 HIS -12 21.671 17.837 -16.383 21 HD1 HIS -12 HD1 HIS -12 20.348 21.094 -16.963 22 HD2 HIS -12 HD2 HIS -12 22.445 18.335 -19.258 23 HE1 HIS -12 HE1 HIS -12 21.343 22.408 -18.858 24 HE2 HIS -12 HE2 HIS -12 22.701 20.740 -20.167 25 H HIS -11 HN HIS -11 20.807 14.917 -17.595 26 HA HIS -11 HA HIS -11 19.696 14.038 -15.025 27 HB2 HIS -11 HB2 HIS -11 19.082 11.867 -16.035 28 HB3 HIS -11 HB1 HIS -11 18.190 13.205 -16.741 29 HD1 HIS -11 HD1 HIS -11 20.386 10.398 -17.599 30 HD2 HIS -11 HD2 HIS -11 19.071 13.900 -19.407 31 HE1 HIS -11 HE1 HIS -11 20.891 10.124 -20.046 32 HE2 HIS -11 HE2 HIS -11 19.907 12.174 -21.138 33 H HIS -10 HN HIS -10 21.135 13.129 -13.749 34 HA HIS -10 HA HIS -10 23.332 11.582 -14.902 35 HB2 HIS -10 HB2 HIS -10 24.216 13.867 -14.510 36 HB3 HIS -10 HB1 HIS -10 23.736 13.752 -12.823 37 HD1 HIS -10 HD1 HIS -10 25.324 12.597 -11.243 38 HD2 HIS -10 HD2 HIS -10 26.419 12.163 -15.228 39 HE1 HIS -10 HE1 HIS -10 27.622 11.580 -11.204 40 HE2 HIS -10 HE2 HIS -10 28.332 11.500 -13.618 41 H HIS -9 HN HIS -9 21.764 9.955 -14.115 42 HA HIS -9 HA HIS -9 21.591 9.706 -11.209 43 HB2 HIS -9 HB2 HIS -9 20.306 8.114 -13.436 44 HB3 HIS -9 HB1 HIS -9 20.089 7.765 -11.726 45 HD1 HIS -9 HD1 HIS -9 18.148 8.883 -10.643 46 HD2 HIS -9 HD2 HIS -9 19.327 10.830 -14.122 47 HE1 HIS -9 HE1 HIS -9 16.441 10.687 -11.023 48 HE2 HIS -9 HE2 HIS -9 17.268 11.951 -13.035 49 H HIS -8 HN HIS -8 23.316 8.478 -13.893 50 HA HIS -8 HA HIS -8 24.413 6.261 -12.316 51 HB2 HIS -8 HB2 HIS -8 24.676 6.917 -15.260 52 HB3 HIS -8 HB1 HIS -8 25.470 5.562 -14.472 53 HD1 HIS -8 HD1 HIS -8 23.018 5.794 -16.738 54 HD2 HIS -8 HD2 HIS -8 22.924 4.321 -12.853 55 HE1 HIS -8 HE1 HIS -8 21.076 4.198 -16.666 56 HE2 HIS -8 HE2 HIS -8 21.080 3.266 -14.325 57 H HIS -7 HN HIS -7 26.828 5.922 -12.656 58 HA HIS -7 HA HIS -7 28.972 6.594 -12.380 59 HB2 HIS -7 HB2 HIS -7 27.946 8.823 -14.115 60 HB3 HIS -7 HB1 HIS -7 29.583 8.868 -13.473 61 HD1 HIS -7 HD1 HIS -7 31.263 7.927 -15.004 62 HD2 HIS -7 HD2 HIS -7 27.521 6.213 -15.583 63 HE1 HIS -7 HE1 HIS -7 31.539 6.346 -16.938 64 HE2 HIS -7 HE2 HIS -7 29.220 5.470 -17.387 65 H VAL -6 HN VAL -6 27.111 7.126 -10.310 66 HA VAL -6 HA VAL -6 27.920 9.696 -9.209 67 HB VAL -6 HB VAL -6 26.482 9.114 -7.284 68 HG11 VAL -6 HG11 VAL -6 25.536 10.319 -9.166 69 HG12 VAL -6 HG12 VAL -6 24.342 9.217 -8.482 70 HG13 VAL -6 HG13 VAL -6 25.171 8.798 -9.981 71 HG21 VAL -6 HG21 VAL -6 26.774 6.674 -7.362 72 HG22 VAL -6 HG22 VAL -6 25.829 6.619 -8.850 73 HG23 VAL -6 HG23 VAL -6 25.072 7.135 -7.344 74 H ASP -5 HN ASP -5 29.503 7.016 -9.606 75 HA ASP -5 HA ASP -5 30.553 6.535 -6.966 76 HB2 ASP -5 HB2 ASP -5 31.534 5.627 -9.685 77 HB3 ASP -5 HB1 ASP -5 32.184 5.078 -8.146 78 H ASP -4 HN ASP -4 31.045 8.781 -9.438 79 HA ASP -4 HA ASP -4 33.776 9.422 -8.637 80 HB2 ASP -4 HB2 ASP -4 33.071 9.478 -11.050 81 HB3 ASP -4 HB1 ASP -4 32.010 10.827 -10.657 82 H ASP -3 HN ASP -3 34.041 10.635 -6.899 83 HA ASP -3 HA ASP -3 33.674 12.045 -5.171 84 HB2 ASP -3 HB2 ASP -3 33.772 13.781 -6.921 85 HB3 ASP -3 HB1 ASP -3 32.035 13.625 -7.168 86 H ASP -2 HN ASP -2 32.533 10.407 -4.091 87 HA ASP -2 HA ASP -2 29.746 9.996 -4.273 88 HB2 ASP -2 HB2 ASP -2 31.717 9.411 -2.057 89 HB3 ASP -2 HB1 ASP -2 30.028 8.930 -1.993 90 H LYS -1 HN LYS -1 28.088 11.177 -3.521 91 HA LYS -1 HA LYS -1 28.611 13.122 -1.390 92 HB2 LYS -1 HB2 LYS -1 27.475 14.879 -2.621 93 HB3 LYS -1 HB1 LYS -1 28.829 14.280 -3.567 94 HG2 LYS -1 HG2 LYS -1 27.233 12.883 -4.861 95 HG3 LYS -1 HG1 LYS -1 25.913 13.647 -3.975 96 HD2 LYS -1 HD2 LYS -1 26.113 14.803 -6.039 97 HD3 LYS -1 HD1 LYS -1 26.789 15.859 -4.799 98 HE2 LYS -1 HE2 LYS -1 29.052 15.048 -5.414 99 HE3 LYS -1 HE1 LYS -1 28.324 14.116 -6.721 100 HZ1 LYS -1 HZ1 LYS -1 28.183 17.066 -6.433 101 HZ2 LYS -1 HZ2 LYS -1 27.527 16.161 -7.702 102 HZ3 LYS -1 HZ3 LYS -1 29.200 16.231 -7.495 103 H MET 0 HN MET 0 26.756 13.758 -0.231 104 HA MET 0 HA MET 0 24.719 13.571 0.722 105 HB2 MET 0 HB2 MET 0 24.016 12.500 -2.002 106 HB3 MET 0 HB1 MET 0 22.821 12.717 -0.725 107 HG2 MET 0 HG2 MET 0 24.527 14.873 -1.952 108 HG3 MET 0 HG1 MET 0 22.813 14.596 -2.257 109 HE1 MET 0 HE1 MET 0 22.983 17.956 -0.170 110 HE2 MET 0 HE2 MET 0 22.520 17.230 -1.709 111 HE3 MET 0 HE3 MET 0 24.225 17.382 -1.283 112 H GLU 1 HN GLU 1 24.426 10.652 -1.263 113 HA GLU 1 HA GLU 1 24.687 8.992 1.132 114 HB2 GLU 1 HB2 GLU 1 22.267 9.085 -0.671 115 HB3 GLU 1 HB1 GLU 1 22.604 7.737 0.403 116 HG2 GLU 1 HG2 GLU 1 22.328 10.566 1.369 117 HG3 GLU 1 HG1 GLU 1 20.968 9.451 1.241 118 H ASP 2 HN ASP 2 26.433 7.873 0.446 119 HA ASP 2 HA ASP 2 26.366 6.659 -2.224 120 HB2 ASP 2 HB2 ASP 2 28.701 6.249 -1.996 121 HB3 ASP 2 HB1 ASP 2 28.428 7.884 -1.406 122 H THR 3 HN THR 3 26.914 4.408 -2.457 123 HA THR 3 HA THR 3 26.317 2.245 -2.137 124 HB THR 3 HB THR 3 27.320 1.213 -0.053 125 HG1 THR 3 HG1 THR 3 28.428 3.828 0.319 126 HG21 THR 3 HG21 THR 3 28.518 1.296 -2.166 127 HG22 THR 3 HG22 THR 3 29.629 1.574 -0.823 128 HG23 THR 3 HG23 THR 3 29.075 2.930 -1.806 129 H ALA 4 HN ALA 4 24.124 3.777 -1.653 130 HA ALA 4 HA ALA 4 22.926 2.754 0.814 131 HB1 ALA 4 HB1 ALA 4 22.641 5.135 0.368 132 HB2 ALA 4 HB2 ALA 4 21.086 4.301 0.341 133 HB3 ALA 4 HB3 ALA 4 21.866 4.765 -1.172 134 H ASN 5 HN ASN 5 21.530 1.115 0.817 135 HA ASN 5 HA ASN 5 20.806 -0.047 -1.772 136 HB2 ASN 5 HB2 ASN 5 20.722 -1.269 0.989 137 HB3 ASN 5 HB1 ASN 5 20.327 -2.100 -0.508 138 HD21 ASN 5 HD21 ASN 5 22.478 -0.909 -2.039 139 HD22 ASN 5 HD22 ASN 5 23.941 -1.640 -1.478 140 HA PRO 6 HA PRO 6 16.574 1.178 -0.920 141 HB2 PRO 6 HB2 PRO 6 15.747 -0.372 -3.214 142 HB3 PRO 6 HB1 PRO 6 15.857 1.382 -3.062 143 HG2 PRO 6 HG2 PRO 6 17.486 -0.106 -4.678 144 HG3 PRO 6 HG1 PRO 6 17.946 1.457 -3.983 145 HD2 PRO 6 HD2 PRO 6 18.660 -1.306 -3.072 146 HD3 PRO 6 HD1 PRO 6 19.671 0.151 -3.156 147 H ASN 7 HN ASN 7 16.588 -0.236 0.971 148 HA ASN 7 HA ASN 7 16.057 -3.036 0.681 149 HB2 ASN 7 HB2 ASN 7 15.898 -1.276 3.134 150 HB3 ASN 7 HB1 ASN 7 15.851 -3.035 3.136 151 HD21 ASN 7 HD21 ASN 7 17.723 -1.250 4.427 152 HD22 ASN 7 HD22 ASN 7 19.289 -1.654 3.811 153 H GLU 8 HN GLU 8 14.144 -0.177 1.074 154 HA GLU 8 HA GLU 8 11.730 -1.855 1.160 155 HB2 GLU 8 HB2 GLU 8 10.608 -0.192 2.462 156 HB3 GLU 8 HB1 GLU 8 12.125 -0.577 3.263 157 HG2 GLU 8 HG2 GLU 8 11.742 1.776 1.453 158 HG3 GLU 8 HG1 GLU 8 11.520 1.843 3.199 159 H MET 9 HN MET 9 9.827 -0.041 0.607 160 HA MET 9 HA MET 9 10.574 0.893 -2.078 161 HB2 MET 9 HB2 MET 9 8.068 0.770 -2.506 162 HB3 MET 9 HB1 MET 9 8.897 -0.763 -2.316 163 HG2 MET 9 HG2 MET 9 8.146 -0.798 0.054 164 HG3 MET 9 HG1 MET 9 7.185 0.638 -0.287 165 HE1 MET 9 HE1 MET 9 7.879 -2.639 -2.447 166 HE2 MET 9 HE2 MET 9 6.438 -3.567 -2.037 167 HE3 MET 9 HE3 MET 9 7.625 -3.183 -0.791 168 H THR 10 HN THR 10 10.153 2.978 -2.660 169 HA THR 10 HA THR 10 10.018 4.872 -0.560 170 HB THR 10 HB THR 10 9.929 6.564 -2.390 171 HG1 THR 10 HG1 THR 10 10.100 5.744 -4.547 172 HG21 THR 10 HG21 THR 10 12.006 4.399 -2.732 173 HG22 THR 10 HG22 THR 10 12.078 5.726 -1.573 174 HG23 THR 10 HG23 THR 10 12.146 6.061 -3.302 175 H LYS 11 HN LYS 11 8.421 6.735 -0.567 176 HA LYS 11 HA LYS 11 5.877 5.778 -0.013 177 HB2 LYS 11 HB2 LYS 11 5.157 8.121 0.031 178 HB3 LYS 11 HB1 LYS 11 6.694 7.900 0.852 179 HG2 LYS 11 HG2 LYS 11 7.833 8.712 -1.210 180 HG3 LYS 11 HG1 LYS 11 6.244 9.070 -1.885 181 HD2 LYS 11 HD2 LYS 11 7.443 10.262 0.617 182 HD3 LYS 11 HD1 LYS 11 7.229 11.075 -0.933 183 HE2 LYS 11 HE2 LYS 11 4.788 10.784 -0.716 184 HE3 LYS 11 HE1 LYS 11 5.038 10.037 0.860 185 HZ1 LYS 11 HZ1 LYS 11 5.947 12.073 1.695 186 HZ2 LYS 11 HZ2 LYS 11 4.444 12.403 0.986 187 HZ3 LYS 11 HZ3 LYS 11 5.869 12.800 0.167 188 H ASP 12 HN ASP 12 7.174 6.962 -3.040 189 HA ASP 12 HA ASP 12 4.587 7.183 -4.293 190 HB2 ASP 12 HB2 ASP 12 6.627 8.607 -4.826 191 HB3 ASP 12 HB1 ASP 12 7.284 7.198 -5.650 192 H ALA 13 HN ALA 13 7.355 4.969 -4.464 193 HA ALA 13 HA ALA 13 6.218 3.328 -6.499 194 HB1 ALA 13 HB1 ALA 13 8.463 2.728 -4.582 195 HB2 ALA 13 HB2 ALA 13 8.629 3.481 -6.167 196 HB3 ALA 13 HB3 ALA 13 8.070 1.813 -6.038 197 H TRP 14 HN TRP 14 6.247 3.269 -2.993 198 HA TRP 14 HA TRP 14 5.233 0.714 -2.528 199 HB2 TRP 14 HB2 TRP 14 6.011 2.109 -0.716 200 HB3 TRP 14 HB1 TRP 14 4.767 3.310 -1.045 201 HD1 TRP 14 HD1 TRP 14 5.065 -0.330 0.238 202 HE1 TRP 14 HE1 TRP 14 3.111 -0.773 1.846 203 HE3 TRP 14 HE3 TRP 14 2.532 4.083 -0.315 204 HZ2 TRP 14 HZ2 TRP 14 0.816 0.564 2.775 205 HZ3 TRP 14 HZ3 TRP 14 0.469 4.416 0.984 206 HH2 TRP 14 HH2 TRP 14 -0.372 2.692 2.492 207 H LEU 15 HN LEU 15 3.509 3.770 -3.019 208 HA LEU 15 HA LEU 15 0.903 2.828 -2.877 209 HB2 LEU 15 HB2 LEU 15 2.080 5.047 -4.547 210 HB3 LEU 15 HB1 LEU 15 0.361 4.775 -4.360 211 HG LEU 15 HG LEU 15 2.201 5.350 -2.052 212 HD11 LEU 15 HD11 LEU 15 0.548 7.194 -3.754 213 HD12 LEU 15 HD12 LEU 15 2.279 7.276 -3.423 214 HD13 LEU 15 HD13 LEU 15 1.118 7.613 -2.141 215 HD21 LEU 15 HD21 LEU 15 0.069 5.903 -0.924 216 HD22 LEU 15 HD22 LEU 15 0.174 4.211 -1.406 217 HD23 LEU 15 HD23 LEU 15 -0.800 5.335 -2.350 218 H ASN 16 HN ASN 16 3.124 2.914 -5.630 219 HA ASN 16 HA ASN 16 1.305 2.250 -7.651 220 HB2 ASN 16 HB2 ASN 16 3.603 3.081 -8.048 221 HB3 ASN 16 HB1 ASN 16 4.242 1.537 -7.496 222 HD21 ASN 16 HD21 ASN 16 1.394 2.061 -9.522 223 HD22 ASN 16 HD22 ASN 16 2.030 1.273 -10.922 224 H SER 17 HN SER 17 3.129 0.212 -5.437 225 HA SER 17 HA SER 17 2.150 -2.207 -6.725 226 HB2 SER 17 HB2 SER 17 4.499 -2.058 -5.916 227 HB3 SER 17 HB1 SER 17 3.897 -1.891 -4.268 228 HG SER 17 HG SER 17 2.988 -3.964 -4.445 229 H MET 18 HN MET 18 1.436 -0.195 -4.003 230 HA MET 18 HA MET 18 0.118 -2.289 -2.503 231 HB2 MET 18 HB2 MET 18 1.458 -0.554 -1.381 232 HB3 MET 18 HB1 MET 18 0.329 0.669 -1.944 233 HG2 MET 18 HG2 MET 18 -0.172 0.186 0.321 234 HG3 MET 18 HG1 MET 18 -1.463 -0.485 -0.673 235 HE1 MET 18 HE1 MET 18 -1.244 -3.044 2.288 236 HE2 MET 18 HE2 MET 18 -2.308 -1.998 1.350 237 HE3 MET 18 HE3 MET 18 -1.046 -1.293 2.363 238 H THR 19 HN THR 19 -0.841 0.503 -4.445 239 HA THR 19 HA THR 19 -3.415 0.849 -3.501 240 HB THR 19 HB THR 19 -3.932 1.653 -5.911 241 HG1 THR 19 HG1 THR 19 -1.108 1.747 -6.102 242 HG21 THR 19 HG21 THR 19 -3.521 3.128 -4.011 243 HG22 THR 19 HG22 THR 19 -2.748 3.756 -5.467 244 HG23 THR 19 HG23 THR 19 -1.781 2.947 -4.234 245 HA PRO 20 HA PRO 20 -5.229 -2.210 -6.623 246 HB2 PRO 20 HB2 PRO 20 -3.732 -3.897 -8.029 247 HB3 PRO 20 HB1 PRO 20 -3.892 -2.196 -8.495 248 HG2 PRO 20 HG2 PRO 20 -1.662 -3.536 -7.004 249 HG3 PRO 20 HG1 PRO 20 -1.570 -2.394 -8.358 250 HD2 PRO 20 HD2 PRO 20 -1.282 -1.673 -5.733 251 HD3 PRO 20 HD1 PRO 20 -1.861 -0.577 -7.004 252 H LEU 21 HN LEU 21 -2.975 -2.993 -4.266 253 HA LEU 21 HA LEU 21 -3.900 -5.729 -3.904 254 HB2 LEU 21 HB2 LEU 21 -2.072 -3.998 -2.233 255 HB3 LEU 21 HB1 LEU 21 -2.454 -5.670 -1.877 256 HG LEU 21 HG LEU 21 -0.999 -4.695 -4.336 257 HD11 LEU 21 HD11 LEU 21 0.002 -6.167 -1.902 258 HD12 LEU 21 HD12 LEU 21 0.333 -4.481 -2.301 259 HD13 LEU 21 HD13 LEU 21 0.951 -5.770 -3.336 260 HD21 LEU 21 HD21 LEU 21 -2.311 -6.692 -4.794 261 HD22 LEU 21 HD22 LEU 21 -1.626 -7.485 -3.376 262 HD23 LEU 21 HD23 LEU 21 -0.592 -7.082 -4.746 263 H LEU 22 HN LEU 22 -4.674 -2.552 -2.951 264 HA LEU 22 HA LEU 22 -5.834 -3.051 -0.444 265 HB2 LEU 22 HB2 LEU 22 -6.334 -0.845 -2.431 266 HB3 LEU 22 HB1 LEU 22 -6.994 -0.868 -0.806 267 HG LEU 22 HG LEU 22 -4.039 -0.910 -1.427 268 HD11 LEU 22 HD11 LEU 22 -5.058 1.179 -2.186 269 HD12 LEU 22 HD12 LEU 22 -4.020 1.428 -0.785 270 HD13 LEU 22 HD13 LEU 22 -5.771 1.407 -0.587 271 HD21 LEU 22 HD21 LEU 22 -4.586 -1.876 0.728 272 HD22 LEU 22 HD22 LEU 22 -5.574 -0.472 1.134 273 HD23 LEU 22 HD23 LEU 22 -3.828 -0.300 0.948 274 HA PRO 23 HA PRO 23 -10.085 -3.304 -3.041 275 HB2 PRO 23 HB2 PRO 23 -8.842 -4.855 -5.262 276 HB3 PRO 23 HB1 PRO 23 -10.215 -3.750 -5.286 277 HG2 PRO 23 HG2 PRO 23 -7.873 -2.972 -6.225 278 HG3 PRO 23 HG1 PRO 23 -8.883 -1.870 -5.284 279 HD2 PRO 23 HD2 PRO 23 -6.430 -3.338 -4.461 280 HD3 PRO 23 HD1 PRO 23 -6.996 -1.723 -4.003 281 H ASP 24 HN ASP 24 -7.483 -5.654 -3.149 282 HA ASP 24 HA ASP 24 -9.087 -7.973 -2.936 283 HB2 ASP 24 HB2 ASP 24 -6.733 -7.909 -3.772 284 HB3 ASP 24 HB1 ASP 24 -6.188 -7.590 -2.130 285 H LEU 25 HN LEU 25 -7.565 -5.838 -0.610 286 HA LEU 25 HA LEU 25 -8.195 -7.548 1.639 287 HB2 LEU 25 HB2 LEU 25 -7.088 -4.741 1.611 288 HB3 LEU 25 HB1 LEU 25 -7.102 -5.840 2.977 289 HG LEU 25 HG LEU 25 -5.542 -6.258 0.424 290 HD11 LEU 25 HD11 LEU 25 -4.662 -4.405 1.733 291 HD12 LEU 25 HD12 LEU 25 -3.577 -5.793 1.799 292 HD13 LEU 25 HD13 LEU 25 -4.622 -5.424 3.172 293 HD21 LEU 25 HD21 LEU 25 -6.192 -8.359 1.454 294 HD22 LEU 25 HD22 LEU 25 -5.573 -7.808 3.011 295 HD23 LEU 25 HD23 LEU 25 -4.464 -8.078 1.666 296 H ILE 26 HN ILE 26 -9.331 -4.495 0.263 297 HA ILE 26 HA ILE 26 -10.883 -3.597 2.402 298 HB ILE 26 HB ILE 26 -11.433 -3.160 -0.536 299 HG12 ILE 26 HG12 ILE 26 -9.172 -2.444 0.115 300 HG13 ILE 26 HG11 ILE 26 -10.196 -1.068 -0.276 301 HG21 ILE 26 HG21 ILE 26 -13.360 -2.611 0.817 302 HG22 ILE 26 HG22 ILE 26 -12.611 -1.135 0.214 303 HG23 ILE 26 HG23 ILE 26 -12.362 -1.629 1.889 304 HD11 ILE 26 HD11 ILE 26 -9.483 -2.020 2.485 305 HD12 ILE 26 HD12 ILE 26 -10.532 -0.651 2.106 306 HD13 ILE 26 HD13 ILE 26 -8.826 -0.611 1.653 307 H CYS 27 HN CYS 27 -11.902 -5.544 -0.410 308 HA CYS 27 HA CYS 27 -14.634 -5.551 0.229 309 HB2 CYS 27 HB2 CYS 27 -13.544 -6.219 -1.987 310 HB3 CYS 27 HB1 CYS 27 -13.247 -7.788 -1.244 311 H LYS 28 HN LYS 28 -11.999 -7.624 1.250 312 HA LYS 28 HA LYS 28 -13.454 -9.751 2.309 313 HB2 LYS 28 HB2 LYS 28 -10.790 -8.565 3.045 314 HB3 LYS 28 HB1 LYS 28 -11.446 -9.956 3.896 315 HG2 LYS 28 HG2 LYS 28 -10.938 -9.836 0.932 316 HG3 LYS 28 HG1 LYS 28 -9.858 -10.568 2.119 317 HD2 LYS 28 HD2 LYS 28 -11.756 -12.062 2.791 318 HD3 LYS 28 HD1 LYS 28 -12.664 -11.421 1.423 319 HE2 LYS 28 HE2 LYS 28 -11.030 -12.267 -0.126 320 HE3 LYS 28 HE1 LYS 28 -9.980 -12.772 1.197 321 HZ1 LYS 28 HZ1 LYS 28 -12.675 -13.871 0.610 322 HZ2 LYS 28 HZ2 LYS 28 -11.678 -14.352 1.885 323 HZ3 LYS 28 HZ3 LYS 28 -11.205 -14.637 0.288 324 H GLY 29 HN GLY 29 -12.602 -6.635 3.737 325 HA2 GLY 29 HA2 GLY 29 -13.402 -7.176 6.370 326 HA3 GLY 29 HA1 GLY 29 -13.344 -5.583 5.635 327 H PHE 30 HN PHE 30 -15.272 -6.198 3.564 328 HA PHE 30 HA PHE 30 -17.643 -5.701 5.137 329 HB2 PHE 30 HB2 PHE 30 -17.218 -5.760 2.139 330 HB3 PHE 30 HB1 PHE 30 -18.722 -5.299 2.928 331 HD1 PHE 30 HD1 PHE 30 -18.865 -3.228 4.211 332 HD2 PHE 30 HD2 PHE 30 -15.344 -4.266 2.066 333 HE1 PHE 30 HE1 PHE 30 -18.072 -0.906 4.396 334 HE2 PHE 30 HE2 PHE 30 -14.548 -1.946 2.246 335 HZ PHE 30 HZ PHE 30 -15.913 -0.263 3.414 336 H ILE 31 HN ILE 31 -16.135 -8.390 3.784 337 HA ILE 31 HA ILE 31 -18.596 -9.938 3.580 338 HB ILE 31 HB ILE 31 -15.722 -10.765 3.140 339 HG12 ILE 31 HG12 ILE 31 -17.916 -10.162 1.149 340 HG13 ILE 31 HG11 ILE 31 -16.562 -9.102 1.517 341 HG21 ILE 31 HG21 ILE 31 -18.292 -12.236 2.567 342 HG22 ILE 31 HG22 ILE 31 -17.096 -12.653 3.793 343 HG23 ILE 31 HG23 ILE 31 -16.681 -12.767 2.083 344 HD11 ILE 31 HD11 ILE 31 -16.368 -11.849 0.312 345 HD12 ILE 31 HD12 ILE 31 -15.013 -10.782 0.682 346 HD13 ILE 31 HD13 ILE 31 -16.193 -10.317 -0.546 347 H GLN 32 HN GLN 32 -15.678 -9.682 5.519 348 HA GLN 32 HA GLN 32 -16.110 -11.971 7.111 349 HB2 GLN 32 HB2 GLN 32 -14.484 -9.487 7.633 350 HB3 GLN 32 HB1 GLN 32 -14.419 -10.939 8.620 351 HG2 GLN 32 HG2 GLN 32 -13.651 -12.212 6.685 352 HG3 GLN 32 HG1 GLN 32 -13.693 -10.748 5.705 353 HE21 GLN 32 HE21 GLN 32 -12.055 -12.467 8.226 354 HE22 GLN 32 HE22 GLN 32 -10.636 -11.480 8.261 355 H ASP 33 HN ASP 33 -16.976 -8.571 7.540 356 HA ASP 33 HA ASP 33 -18.106 -9.135 10.163 357 HB2 ASP 33 HB2 ASP 33 -16.882 -6.943 9.415 358 HB3 ASP 33 HB1 ASP 33 -18.444 -6.524 8.727 359 HA PRO 34 HA PRO 34 -22.015 -10.347 8.311 360 HB2 PRO 34 HB2 PRO 34 -22.909 -9.889 11.105 361 HB3 PRO 34 HB1 PRO 34 -23.123 -11.306 10.074 362 HG2 PRO 34 HG2 PRO 34 -21.358 -11.305 12.073 363 HG3 PRO 34 HG1 PRO 34 -21.016 -12.130 10.541 364 HD2 PRO 34 HD2 PRO 34 -19.968 -9.541 11.581 365 HD3 PRO 34 HD1 PRO 34 -19.162 -10.773 10.591 366 H ASP 35 HN ASP 35 -21.610 -7.630 10.509 367 HA ASP 35 HA ASP 35 -24.031 -6.275 10.025 368 HB2 ASP 35 HB2 ASP 35 -22.455 -5.707 11.857 369 HB3 ASP 35 HB1 ASP 35 -21.305 -5.106 10.648 370 H LEU 36 HN LEU 36 -20.923 -6.206 8.469 371 HA LEU 36 HA LEU 36 -21.528 -4.067 6.677 372 HB2 LEU 36 HB2 LEU 36 -19.303 -6.082 6.903 373 HB3 LEU 36 HB1 LEU 36 -19.327 -4.800 5.715 374 HG LEU 36 HG LEU 36 -18.021 -4.595 7.991 375 HD11 LEU 36 HD11 LEU 36 -19.587 -2.417 6.649 376 HD12 LEU 36 HD12 LEU 36 -17.943 -2.939 6.259 377 HD13 LEU 36 HD13 LEU 36 -18.272 -2.120 7.787 378 HD21 LEU 36 HD21 LEU 36 -19.717 -4.810 9.572 379 HD22 LEU 36 HD22 LEU 36 -20.732 -3.620 8.751 380 HD23 LEU 36 HD23 LEU 36 -19.245 -3.110 9.554 381 H LYS 37 HN LYS 37 -21.220 -7.566 6.546 382 HA LYS 37 HA LYS 37 -21.584 -7.964 3.803 383 HB2 LYS 37 HB2 LYS 37 -20.724 -9.697 5.286 384 HB3 LYS 37 HB1 LYS 37 -22.254 -9.759 6.143 385 HG2 LYS 37 HG2 LYS 37 -22.138 -11.645 4.700 386 HG3 LYS 37 HG1 LYS 37 -23.332 -10.530 4.039 387 HD2 LYS 37 HD2 LYS 37 -21.668 -9.706 2.435 388 HD3 LYS 37 HD1 LYS 37 -20.481 -10.838 3.092 389 HE2 LYS 37 HE2 LYS 37 -21.981 -12.704 2.478 390 HE3 LYS 37 HE1 LYS 37 -23.087 -11.545 1.750 391 HZ1 LYS 37 HZ1 LYS 37 -21.637 -12.623 0.124 392 HZ2 LYS 37 HZ2 LYS 37 -20.277 -11.976 0.889 393 HZ3 LYS 37 HZ3 LYS 37 -21.405 -10.951 0.155 394 H LYS 38 HN LYS 38 -23.885 -7.448 6.398 395 HA LYS 38 HA LYS 38 -26.137 -8.393 4.966 396 HB2 LYS 38 HB2 LYS 38 -27.456 -7.616 6.766 397 HB3 LYS 38 HB1 LYS 38 -25.946 -8.175 7.462 398 HG2 LYS 38 HG2 LYS 38 -26.320 -6.266 8.643 399 HG3 LYS 38 HG1 LYS 38 -25.265 -5.679 7.363 400 HD2 LYS 38 HD2 LYS 38 -27.055 -4.663 6.215 401 HD3 LYS 38 HD1 LYS 38 -28.263 -5.545 7.152 402 HE2 LYS 38 HE2 LYS 38 -28.078 -3.183 7.831 403 HE3 LYS 38 HE1 LYS 38 -27.693 -4.296 9.139 404 HZ1 LYS 38 HZ1 LYS 38 -26.113 -2.529 9.128 405 HZ2 LYS 38 HZ2 LYS 38 -25.768 -2.754 7.490 406 HZ3 LYS 38 HZ3 LYS 38 -25.315 -3.932 8.616 407 H ARG 39 HN ARG 39 -24.430 -5.383 4.980 408 HA ARG 39 HA ARG 39 -26.525 -4.043 3.451 409 HB2 ARG 39 HB2 ARG 39 -25.214 -2.745 5.082 410 HB3 ARG 39 HB1 ARG 39 -23.739 -3.127 4.210 411 HG2 ARG 39 HG2 ARG 39 -24.452 -0.883 3.691 412 HG3 ARG 39 HG1 ARG 39 -24.592 -1.904 2.258 413 HD2 ARG 39 HD2 ARG 39 -26.534 -0.431 2.522 414 HD3 ARG 39 HD1 ARG 39 -26.982 -2.132 2.629 415 HE ARG 39 HE ARG 39 -26.464 -0.926 5.185 416 HH11 ARG 39 HH11 ARG 39 -28.878 -1.376 2.691 417 HH12 ARG 39 HH12 ARG 39 -30.219 -1.234 3.780 418 HH21 ARG 39 HH21 ARG 39 -28.236 -0.722 6.628 419 HH22 ARG 39 HH22 ARG 39 -29.853 -0.868 6.019 420 H PHE 40 HN PHE 40 -23.431 -5.552 3.081 421 HA PHE 40 HA PHE 40 -22.777 -4.950 0.442 422 HB2 PHE 40 HB2 PHE 40 -21.398 -6.105 2.222 423 HB3 PHE 40 HB1 PHE 40 -22.314 -7.564 1.884 424 HD1 PHE 40 HD1 PHE 40 -21.395 -9.091 0.459 425 HD2 PHE 40 HD2 PHE 40 -20.300 -5.001 0.082 426 HE1 PHE 40 HE1 PHE 40 -19.752 -9.696 -1.266 427 HE2 PHE 40 HE2 PHE 40 -18.662 -5.597 -1.652 428 HZ PHE 40 HZ PHE 40 -18.384 -7.947 -2.326 429 H ASP 41 HN ASP 41 -24.912 -7.400 1.803 430 HA ASP 41 HA ASP 41 -25.467 -8.664 -0.708 431 HB2 ASP 41 HB2 ASP 41 -25.634 -9.999 1.284 432 HB3 ASP 41 HB1 ASP 41 -26.788 -8.878 1.998 433 H GLU 42 HN GLU 42 -26.964 -6.112 1.182 434 HA GLU 42 HA GLU 42 -29.477 -6.076 -0.066 435 HB2 GLU 42 HB2 GLU 42 -27.893 -3.825 1.171 436 HB3 GLU 42 HB1 GLU 42 -29.569 -3.686 0.662 437 HG2 GLU 42 HG2 GLU 42 -28.533 -5.587 2.750 438 HG3 GLU 42 HG1 GLU 42 -29.350 -4.058 3.068 439 H ILE 43 HN ILE 43 -26.390 -4.769 -1.034 440 HA ILE 43 HA ILE 43 -27.576 -3.393 -3.318 441 HB ILE 43 HB ILE 43 -24.640 -3.599 -2.625 442 HG12 ILE 43 HG12 ILE 43 -25.812 -2.678 -0.696 443 HG13 ILE 43 HG11 ILE 43 -24.895 -1.415 -1.506 444 HG21 ILE 43 HG21 ILE 43 -26.195 -1.609 -4.275 445 HG22 ILE 43 HG22 ILE 43 -25.067 -2.825 -4.879 446 HG23 ILE 43 HG23 ILE 43 -24.478 -1.488 -3.887 447 HD11 ILE 43 HD11 ILE 43 -27.060 -0.595 -0.816 448 HD12 ILE 43 HD12 ILE 43 -27.858 -1.874 -1.729 449 HD13 ILE 43 HD13 ILE 43 -26.949 -0.623 -2.575 450 H LYS 44 HN LYS 44 -26.696 -6.426 -2.549 451 HA LYS 44 HA LYS 44 -26.032 -8.315 -3.591 452 HB2 LYS 44 HB2 LYS 44 -27.352 -6.881 -5.895 453 HB3 LYS 44 HB1 LYS 44 -26.817 -8.554 -5.975 454 HG2 LYS 44 HG2 LYS 44 -28.860 -7.453 -4.054 455 HG3 LYS 44 HG1 LYS 44 -29.202 -8.400 -5.503 456 HD2 LYS 44 HD2 LYS 44 -28.052 -10.309 -4.581 457 HD3 LYS 44 HD1 LYS 44 -27.541 -9.370 -3.179 458 HE2 LYS 44 HE2 LYS 44 -29.937 -9.056 -2.596 459 HE3 LYS 44 HE1 LYS 44 -30.357 -10.142 -3.920 460 HZ1 LYS 44 HZ1 LYS 44 -30.274 -11.273 -1.765 461 HZ2 LYS 44 HZ2 LYS 44 -28.636 -10.868 -1.604 462 HZ3 LYS 44 HZ3 LYS 44 -29.137 -11.903 -2.848 463 H MET 45 HN MET 45 -24.007 -6.620 -3.206 464 HA MET 45 HA MET 45 -22.482 -6.450 -5.682 465 HB2 MET 45 HB2 MET 45 -22.526 -4.488 -4.229 466 HB3 MET 45 HB1 MET 45 -21.901 -5.443 -2.891 467 HG2 MET 45 HG2 MET 45 -19.785 -5.633 -3.861 468 HG3 MET 45 HG1 MET 45 -20.373 -5.144 -5.450 469 HE1 MET 45 HE1 MET 45 -20.460 -2.131 -1.981 470 HE2 MET 45 HE2 MET 45 -20.161 -3.849 -1.719 471 HE3 MET 45 HE3 MET 45 -21.720 -3.312 -2.344 472 H THR 46 HN THR 46 -20.450 -7.455 -5.919 473 HA THR 46 HA THR 46 -20.056 -9.731 -4.104 474 HB THR 46 HB THR 46 -19.122 -10.940 -6.084 475 HG1 THR 46 HG1 THR 46 -20.375 -9.530 -7.989 476 HG21 THR 46 HG21 THR 46 -21.988 -10.023 -6.330 477 HG22 THR 46 HG22 THR 46 -21.409 -11.359 -5.334 478 HG23 THR 46 HG23 THR 46 -21.299 -11.457 -7.091 479 H TYR 47 HN TYR 47 -17.816 -10.638 -4.216 480 HA TYR 47 HA TYR 47 -15.867 -8.785 -3.477 481 HB2 TYR 47 HB2 TYR 47 -15.889 -11.237 -2.977 482 HB3 TYR 47 HB1 TYR 47 -15.453 -11.548 -4.649 483 HD1 TYR 47 HD1 TYR 47 -13.190 -11.118 -5.446 484 HD2 TYR 47 HD2 TYR 47 -14.280 -10.378 -1.403 485 HE1 TYR 47 HE1 TYR 47 -10.810 -11.043 -4.820 486 HE2 TYR 47 HE2 TYR 47 -11.913 -10.288 -0.772 487 HH TYR 47 HH TYR 47 -9.373 -10.193 -3.075 488 H GLU 48 HN GLU 48 -16.370 -10.448 -6.557 489 HA GLU 48 HA GLU 48 -14.162 -9.304 -7.898 490 HB2 GLU 48 HB2 GLU 48 -16.716 -10.359 -9.120 491 HB3 GLU 48 HB1 GLU 48 -15.155 -10.195 -9.913 492 HG2 GLU 48 HG2 GLU 48 -14.204 -11.889 -8.487 493 HG3 GLU 48 HG1 GLU 48 -15.711 -12.011 -7.582 494 H GLN 49 HN GLN 49 -17.292 -8.107 -7.134 495 HA GLN 49 HA GLN 49 -17.327 -6.045 -9.138 496 HB2 GLN 49 HB2 GLN 49 -19.386 -7.005 -8.082 497 HB3 GLN 49 HB1 GLN 49 -18.921 -6.233 -6.574 498 HG2 GLN 49 HG2 GLN 49 -20.576 -4.892 -7.644 499 HG3 GLN 49 HG1 GLN 49 -19.033 -4.041 -7.717 500 HE21 GLN 49 HE21 GLN 49 -21.458 -5.747 -9.522 501 HE22 GLN 49 HE22 GLN 49 -20.914 -5.265 -11.093 502 H CYS 50 HN CYS 50 -16.524 -6.288 -5.706 503 HA CYS 50 HA CYS 50 -16.119 -3.622 -5.082 504 HB2 CYS 50 HB2 CYS 50 -14.451 -5.930 -4.078 505 HB3 CYS 50 HB1 CYS 50 -14.680 -4.378 -3.285 506 H VAL 51 HN VAL 51 -13.873 -5.910 -6.594 507 HA VAL 51 HA VAL 51 -11.622 -4.240 -6.244 508 HB VAL 51 HB VAL 51 -10.460 -5.742 -7.853 509 HG11 VAL 51 HG11 VAL 51 -11.975 -7.020 -5.581 510 HG12 VAL 51 HG12 VAL 51 -10.420 -6.188 -5.483 511 HG13 VAL 51 HG13 VAL 51 -10.555 -7.711 -6.368 512 HG21 VAL 51 HG21 VAL 51 -13.118 -7.166 -7.906 513 HG22 VAL 51 HG22 VAL 51 -11.608 -7.774 -8.588 514 HG23 VAL 51 HG23 VAL 51 -12.361 -6.327 -9.260 515 H THR 52 HN THR 52 -14.125 -4.040 -8.556 516 HA THR 52 HA THR 52 -12.434 -2.492 -10.358 517 HB THR 52 HB THR 52 -14.289 -4.064 -11.181 518 HG1 THR 52 HG1 THR 52 -13.799 -1.424 -12.025 519 HG21 THR 52 HG21 THR 52 -16.066 -3.281 -9.683 520 HG22 THR 52 HG22 THR 52 -16.517 -3.109 -11.379 521 HG23 THR 52 HG23 THR 52 -16.006 -1.698 -10.457 522 H LEU 53 HN LEU 53 -14.210 -2.021 -7.566 523 HA LEU 53 HA LEU 53 -14.969 0.734 -8.219 524 HB2 LEU 53 HB2 LEU 53 -15.614 -0.783 -5.702 525 HB3 LEU 53 HB1 LEU 53 -16.387 0.668 -6.307 526 HG LEU 53 HG LEU 53 -16.559 -2.055 -7.587 527 HD11 LEU 53 HD11 LEU 53 -17.764 -2.027 -5.504 528 HD12 LEU 53 HD12 LEU 53 -18.909 -1.981 -6.843 529 HD13 LEU 53 HD13 LEU 53 -18.549 -0.510 -5.940 530 HD21 LEU 53 HD21 LEU 53 -16.728 -0.289 -9.230 531 HD22 LEU 53 HD22 LEU 53 -17.951 0.530 -8.258 532 HD23 LEU 53 HD23 LEU 53 -18.301 -1.043 -8.978 533 H ILE 54 HN ILE 54 -13.084 -1.184 -5.970 534 HA ILE 54 HA ILE 54 -12.337 0.804 -4.178 535 HB ILE 54 HB ILE 54 -10.783 -1.668 -4.930 536 HG12 ILE 54 HG12 ILE 54 -13.047 -2.173 -4.161 537 HG13 ILE 54 HG11 ILE 54 -11.871 -2.642 -2.938 538 HG21 ILE 54 HG21 ILE 54 -10.569 0.189 -2.568 539 HG22 ILE 54 HG22 ILE 54 -9.334 -0.147 -3.779 540 HG23 ILE 54 HG23 ILE 54 -9.818 -1.402 -2.641 541 HD11 ILE 54 HD11 ILE 54 -13.746 -1.609 -1.879 542 HD12 ILE 54 HD12 ILE 54 -13.612 -0.198 -2.927 543 HD13 ILE 54 HD13 ILE 54 -12.352 -0.537 -1.743 544 HA PRO 55 HA PRO 55 -8.287 1.377 -7.054 545 HB2 PRO 55 HB2 PRO 55 -9.922 1.292 -9.555 546 HB3 PRO 55 HB1 PRO 55 -8.221 0.879 -9.310 547 HG2 PRO 55 HG2 PRO 55 -10.022 -1.047 -9.531 548 HG3 PRO 55 HG1 PRO 55 -8.723 -1.168 -8.328 549 HD2 PRO 55 HD2 PRO 55 -11.608 -0.493 -7.946 550 HD3 PRO 55 HD1 PRO 55 -10.522 -1.432 -6.904 551 H GLU 56 HN GLU 56 -11.567 2.517 -7.415 552 HA GLU 56 HA GLU 56 -10.767 5.130 -8.348 553 HB2 GLU 56 HB2 GLU 56 -13.426 4.093 -7.355 554 HB3 GLU 56 HB1 GLU 56 -13.167 5.692 -8.039 555 HG2 GLU 56 HG2 GLU 56 -12.799 3.062 -9.453 556 HG3 GLU 56 HG1 GLU 56 -14.116 4.212 -9.690 557 H SER 57 HN SER 57 -11.342 3.546 -5.329 558 HA SER 57 HA SER 57 -11.459 6.041 -3.846 559 HB2 SER 57 HB2 SER 57 -11.421 3.205 -2.805 560 HB3 SER 57 HB1 SER 57 -11.919 4.653 -1.931 561 HG SER 57 HG SER 57 -13.792 4.658 -2.942 562 H THR 58 HN THR 58 -9.232 3.456 -4.616 563 HA THR 58 HA THR 58 -7.267 3.898 -2.677 564 HB THR 58 HB THR 58 -5.660 2.927 -4.327 565 HG1 THR 58 HG1 THR 58 -6.232 3.322 -6.341 566 HG21 THR 58 HG21 THR 58 -6.738 0.734 -4.513 567 HG22 THR 58 HG22 THR 58 -8.289 1.470 -4.099 568 HG23 THR 58 HG23 THR 58 -6.982 1.442 -2.915 569 H LYS 59 HN LYS 59 -7.774 5.385 -5.836 570 HA LYS 59 HA LYS 59 -5.441 6.963 -5.875 571 HB2 LYS 59 HB2 LYS 59 -6.935 6.411 -7.832 572 HB3 LYS 59 HB1 LYS 59 -8.073 7.598 -7.214 573 HG2 LYS 59 HG2 LYS 59 -6.767 8.585 -8.967 574 HG3 LYS 59 HG1 LYS 59 -6.325 9.331 -7.429 575 HD2 LYS 59 HD2 LYS 59 -4.344 7.931 -7.294 576 HD3 LYS 59 HD1 LYS 59 -4.801 7.109 -8.786 577 HE2 LYS 59 HE2 LYS 59 -4.147 10.040 -8.518 578 HE3 LYS 59 HE1 LYS 59 -3.069 8.802 -9.158 579 HZ1 LYS 59 HZ1 LYS 59 -5.671 9.623 -10.325 580 HZ2 LYS 59 HZ2 LYS 59 -4.681 8.389 -10.925 581 HZ3 LYS 59 HZ3 LYS 59 -4.140 9.989 -10.941 582 H LYS 60 HN LYS 60 -8.690 7.550 -4.672 583 HA LYS 60 HA LYS 60 -8.401 10.292 -4.112 584 HB2 LYS 60 HB2 LYS 60 -10.594 9.269 -4.253 585 HB3 LYS 60 HB1 LYS 60 -10.226 8.206 -2.902 586 HG2 LYS 60 HG2 LYS 60 -10.105 10.133 -1.409 587 HG3 LYS 60 HG1 LYS 60 -10.460 11.205 -2.763 588 HD2 LYS 60 HD2 LYS 60 -12.280 9.004 -1.790 589 HD3 LYS 60 HD1 LYS 60 -12.439 10.706 -1.349 590 HE2 LYS 60 HE2 LYS 60 -12.696 11.258 -3.748 591 HE3 LYS 60 HE1 LYS 60 -12.640 9.537 -4.124 592 HZ1 LYS 60 HZ1 LYS 60 -14.909 10.342 -4.010 593 HZ2 LYS 60 HZ2 LYS 60 -14.674 10.869 -2.420 594 HZ3 LYS 60 HZ3 LYS 60 -14.622 9.213 -2.777 595 H CYS 61 HN CYS 61 -8.248 7.467 -1.944 596 HA CYS 61 HA CYS 61 -7.442 9.013 0.304 597 HB2 CYS 61 HB2 CYS 61 -7.348 6.033 -0.176 598 HB3 CYS 61 HB1 CYS 61 -7.073 6.811 1.380 599 H GLN 62 HN GLN 62 -5.732 7.584 -2.313 600 HA GLN 62 HA GLN 62 -3.193 7.228 -1.234 601 HB2 GLN 62 HB2 GLN 62 -3.689 6.526 -3.488 602 HB3 GLN 62 HB1 GLN 62 -4.032 8.180 -3.976 603 HG2 GLN 62 HG2 GLN 62 -1.698 8.776 -3.623 604 HG3 GLN 62 HG1 GLN 62 -1.353 7.124 -3.114 605 HE21 GLN 62 HE21 GLN 62 -0.289 8.714 -5.341 606 HE22 GLN 62 HE22 GLN 62 -0.595 7.786 -6.766 607 H ASP 63 HN ASP 63 -4.507 10.109 -2.840 608 HA ASP 63 HA ASP 63 -2.320 11.795 -2.420 609 HB2 ASP 63 HB2 ASP 63 -4.044 12.368 -4.009 610 HB3 ASP 63 HB1 ASP 63 -5.259 12.428 -2.738 611 H GLU 64 HN GLU 64 -5.073 11.038 -0.398 612 HA GLU 64 HA GLU 64 -4.980 13.030 1.510 613 HB2 GLU 64 HB2 GLU 64 -5.636 10.090 1.766 614 HB3 GLU 64 HB1 GLU 64 -5.859 11.239 3.076 615 HG2 GLU 64 HG2 GLU 64 -7.161 11.462 0.374 616 HG3 GLU 64 HG1 GLU 64 -7.926 10.793 1.816 617 H LEU 65 HN LEU 65 -3.404 9.882 1.657 618 HA LEU 65 HA LEU 65 -1.989 10.686 4.048 619 HB2 LEU 65 HB2 LEU 65 -2.064 8.035 2.624 620 HB3 LEU 65 HB1 LEU 65 -1.396 8.337 4.217 621 HG LEU 65 HG LEU 65 -4.273 8.952 3.633 622 HD11 LEU 65 HD11 LEU 65 -4.017 6.673 2.967 623 HD12 LEU 65 HD12 LEU 65 -4.842 6.736 4.524 624 HD13 LEU 65 HD13 LEU 65 -3.135 6.293 4.447 625 HD21 LEU 65 HD21 LEU 65 -4.515 8.604 6.032 626 HD22 LEU 65 HD22 LEU 65 -3.300 9.836 5.689 627 HD23 LEU 65 HD23 LEU 65 -2.801 8.209 6.156 628 H TYR 66 HN TYR 66 -1.306 10.125 0.664 629 HA TYR 66 HA TYR 66 1.436 9.754 0.660 630 HB2 TYR 66 HB2 TYR 66 0.126 9.745 -1.397 631 HB3 TYR 66 HB1 TYR 66 -0.215 11.461 -1.217 632 HD1 TYR 66 HD1 TYR 66 2.472 9.007 -1.904 633 HD2 TYR 66 HD2 TYR 66 1.325 13.101 -1.986 634 HE1 TYR 66 HE1 TYR 66 4.473 9.533 -3.226 635 HE2 TYR 66 HE2 TYR 66 3.327 13.639 -3.308 636 HH TYR 66 HH TYR 66 5.216 11.307 -4.823 637 H ALA 67 HN ALA 67 -0.366 12.749 1.089 638 HA ALA 67 HA ALA 67 1.851 14.497 1.028 639 HB1 ALA 67 HB1 ALA 67 0.345 16.141 1.984 640 HB2 ALA 67 HB2 ALA 67 -0.799 14.872 2.417 641 HB3 ALA 67 HB3 ALA 67 -0.474 15.225 0.720 642 H SER 68 HN SER 68 0.694 12.334 3.434 643 HA SER 68 HA SER 68 2.191 13.724 5.541 644 HB2 SER 68 HB2 SER 68 0.161 11.494 5.793 645 HB3 SER 68 HB1 SER 68 0.885 12.403 7.120 646 HG SER 68 HG SER 68 -0.173 14.118 5.358 647 H MET 69 HN MET 69 2.394 11.065 3.440 648 HA MET 69 HA MET 69 3.753 9.245 5.168 649 HB2 MET 69 HB2 MET 69 3.442 9.380 2.177 650 HB3 MET 69 HB1 MET 69 4.372 8.123 2.971 651 HG2 MET 69 HG2 MET 69 2.241 7.679 4.323 652 HG3 MET 69 HG1 MET 69 1.430 8.636 3.085 653 HE1 MET 69 HE1 MET 69 2.311 6.516 -0.143 654 HE2 MET 69 HE2 MET 69 3.058 7.966 0.528 655 HE3 MET 69 HE3 MET 69 1.301 7.836 0.443 656 HA PRO 70 HA PRO 70 7.872 10.847 4.942 657 HB2 PRO 70 HB2 PRO 70 9.253 8.588 5.495 658 HB3 PRO 70 HB1 PRO 70 8.313 9.444 6.724 659 HG2 PRO 70 HG2 PRO 70 7.560 7.030 5.108 660 HG3 PRO 70 HG1 PRO 70 7.357 7.314 6.847 661 HD2 PRO 70 HD2 PRO 70 5.331 7.630 5.095 662 HD3 PRO 70 HD1 PRO 70 5.495 8.646 6.541 663 H ASP 71 HN ASP 71 10.098 10.049 3.958 664 HA ASP 71 HA ASP 71 9.808 10.091 1.173 665 HB2 ASP 71 HB2 ASP 71 11.846 10.818 2.440 666 HB3 ASP 71 HB1 ASP 71 12.231 9.119 2.702 667 H LYS 72 HN LYS 72 10.676 7.413 3.326 668 HA LYS 72 HA LYS 72 10.100 5.561 1.117 669 HB2 LYS 72 HB2 LYS 72 12.100 5.168 3.340 670 HB3 LYS 72 HB1 LYS 72 11.779 4.049 2.026 671 HG2 LYS 72 HG2 LYS 72 12.629 5.635 0.420 672 HG3 LYS 72 HG1 LYS 72 12.863 6.834 1.691 673 HD2 LYS 72 HD2 LYS 72 14.439 5.251 2.796 674 HD3 LYS 72 HD1 LYS 72 14.289 4.196 1.389 675 HE2 LYS 72 HE2 LYS 72 16.282 5.602 1.246 676 HE3 LYS 72 HE1 LYS 72 15.138 5.963 -0.047 677 HZ1 LYS 72 HZ1 LYS 72 14.424 7.918 1.096 678 HZ2 LYS 72 HZ2 LYS 72 16.119 7.952 1.028 679 HZ3 LYS 72 HZ3 LYS 72 15.343 7.527 2.466 680 H ILE 73 HN ILE 73 9.119 3.588 1.642 681 HA ILE 73 HA ILE 73 7.669 3.654 4.205 682 HB ILE 73 HB ILE 73 6.782 2.419 1.591 683 HG12 ILE 73 HG12 ILE 73 6.790 4.893 1.528 684 HG13 ILE 73 HG11 ILE 73 5.160 4.233 1.455 685 HG21 ILE 73 HG21 ILE 73 5.913 1.249 3.543 686 HG22 ILE 73 HG22 ILE 73 4.628 2.122 2.710 687 HG23 ILE 73 HG23 ILE 73 5.311 2.773 4.200 688 HD11 ILE 73 HD11 ILE 73 5.259 6.185 2.889 689 HD12 ILE 73 HD12 ILE 73 6.485 5.406 3.890 690 HD13 ILE 73 HD13 ILE 73 4.850 4.744 3.822 691 H ASN 74 HN ASN 74 8.570 2.237 5.543 692 HA ASN 74 HA ASN 74 9.806 -0.193 4.532 693 HB2 ASN 74 HB2 ASN 74 9.675 1.039 7.288 694 HB3 ASN 74 HB1 ASN 74 10.446 -0.507 6.952 695 HD21 ASN 74 HD21 ASN 74 12.340 -0.569 5.781 696 HD22 ASN 74 HD22 ASN 74 13.300 0.842 5.493 697 H SER 75 HN SER 75 9.391 -2.111 6.304 698 HA SER 75 HA SER 75 6.911 -3.153 5.600 699 HB2 SER 75 HB2 SER 75 8.610 -3.914 7.984 700 HB3 SER 75 HB1 SER 75 7.374 -4.919 7.227 701 HG SER 75 HG SER 75 8.973 -4.186 5.291 702 H GLU 76 HN GLU 76 7.876 -1.729 8.729 703 HA GLU 76 HA GLU 76 5.324 -1.978 9.925 704 HB2 GLU 76 HB2 GLU 76 7.446 -1.630 11.183 705 HB3 GLU 76 HB1 GLU 76 7.496 0.020 10.577 706 HG2 GLU 76 HG2 GLU 76 5.283 0.399 11.673 707 HG3 GLU 76 HG1 GLU 76 5.448 -1.191 12.414 708 H THR 77 HN THR 77 6.867 0.502 8.005 709 HA THR 77 HA THR 77 4.997 2.573 8.445 710 HB THR 77 HB THR 77 6.513 2.300 5.870 711 HG1 THR 77 HG1 THR 77 7.659 2.929 8.414 712 HG21 THR 77 HG21 THR 77 5.930 4.591 7.750 713 HG22 THR 77 HG22 THR 77 5.220 4.314 6.160 714 HG23 THR 77 HG23 THR 77 6.929 4.719 6.302 715 H ALA 78 HN ALA 78 5.331 0.046 6.019 716 HA ALA 78 HA ALA 78 3.260 0.737 4.292 717 HB1 ALA 78 HB1 ALA 78 4.286 -2.006 5.007 718 HB2 ALA 78 HB2 ALA 78 4.949 -0.937 3.771 719 HB3 ALA 78 HB3 ALA 78 3.326 -1.603 3.583 720 H GLY 79 HN GLY 79 3.204 -1.446 7.103 721 HA2 GLY 79 HA2 GLY 79 0.471 -2.092 6.953 722 HA3 GLY 79 HA1 GLY 79 1.459 -2.180 8.405 723 H THR 80 HN THR 80 2.158 0.524 8.605 724 HA THR 80 HA THR 80 0.021 1.528 10.098 725 HB THR 80 HB THR 80 2.323 3.105 8.930 726 HG1 THR 80 HG1 THR 80 3.125 1.360 10.130 727 HG21 THR 80 HG21 THR 80 1.990 4.577 10.857 728 HG22 THR 80 HG22 THR 80 0.615 3.599 11.372 729 HG23 THR 80 HG23 THR 80 0.537 4.502 9.859 730 H TRP 81 HN TRP 81 1.207 2.534 6.886 731 HA TRP 81 HA TRP 81 -0.962 4.417 6.610 732 HB2 TRP 81 HB2 TRP 81 1.238 3.589 4.710 733 HB3 TRP 81 HB1 TRP 81 0.053 4.851 4.369 734 HD1 TRP 81 HD1 TRP 81 3.311 4.262 6.118 735 HE1 TRP 81 HE1 TRP 81 4.080 6.422 7.297 736 HE3 TRP 81 HE3 TRP 81 -0.971 6.991 5.655 737 HZ2 TRP 81 HZ2 TRP 81 3.005 8.949 7.933 738 HZ3 TRP 81 HZ3 TRP 81 -1.026 9.272 6.568 739 HH2 TRP 81 HH2 TRP 81 0.923 10.230 7.690 740 H GLY 82 HN GLY 82 -0.240 1.177 5.566 741 HA2 GLY 82 HA2 GLY 82 -2.128 0.930 3.500 742 HA3 GLY 82 HA1 GLY 82 -1.521 -0.390 4.491 743 H ARG 83 HN ARG 83 -2.437 0.220 6.978 744 HA ARG 83 HA ARG 83 -5.168 -0.510 6.838 745 HB2 ARG 83 HB2 ARG 83 -5.184 -0.353 9.249 746 HB3 ARG 83 HB1 ARG 83 -3.680 -1.101 8.733 747 HG2 ARG 83 HG2 ARG 83 -2.498 0.986 9.068 748 HG3 ARG 83 HG1 ARG 83 -4.003 1.782 9.526 749 HD2 ARG 83 HD2 ARG 83 -4.217 0.228 11.421 750 HD3 ARG 83 HD1 ARG 83 -2.677 -0.501 10.974 751 HE ARG 83 HE ARG 83 -2.462 2.320 11.354 752 HH11 ARG 83 HH11 ARG 83 -2.591 -0.745 13.041 753 HH12 ARG 83 HH12 ARG 83 -1.755 -0.152 14.441 754 HH21 ARG 83 HH21 ARG 83 -1.341 3.094 13.171 755 HH22 ARG 83 HH22 ARG 83 -1.029 2.034 14.508 756 H SER 84 HN SER 84 -3.532 2.548 7.050 757 HA SER 84 HA SER 84 -5.775 4.114 7.818 758 HB2 SER 84 HB2 SER 84 -3.283 4.940 6.307 759 HB3 SER 84 HB1 SER 84 -4.416 6.029 7.110 760 HG SER 84 HG SER 84 -2.693 4.104 8.294 761 H LEU 85 HN LEU 85 -4.282 3.343 4.681 762 HA LEU 85 HA LEU 85 -6.169 4.623 3.046 763 HB2 LEU 85 HB2 LEU 85 -4.513 2.138 2.594 764 HB3 LEU 85 HB1 LEU 85 -5.515 2.858 1.350 765 HG LEU 85 HG LEU 85 -3.302 4.383 2.718 766 HD11 LEU 85 HD11 LEU 85 -2.421 2.346 1.611 767 HD12 LEU 85 HD12 LEU 85 -1.874 3.845 0.861 768 HD13 LEU 85 HD13 LEU 85 -3.150 2.895 0.104 769 HD21 LEU 85 HD21 LEU 85 -5.028 5.702 1.554 770 HD22 LEU 85 HD22 LEU 85 -4.721 4.781 0.081 771 HD23 LEU 85 HD23 LEU 85 -3.459 5.813 0.755 772 H GLY 86 HN GLY 86 -6.080 1.379 4.437 773 HA2 GLY 86 HA2 GLY 86 -8.320 0.290 3.223 774 HA3 GLY 86 HA1 GLY 86 -7.712 -0.181 4.795 775 H GLU 87 HN GLU 87 -8.203 2.013 6.351 776 HA GLU 87 HA GLU 87 -10.999 1.735 6.774 777 HB2 GLU 87 HB2 GLU 87 -10.696 3.368 8.595 778 HB3 GLU 87 HB1 GLU 87 -9.530 2.056 8.664 779 HG2 GLU 87 HG2 GLU 87 -7.824 3.494 7.716 780 HG3 GLU 87 HG1 GLU 87 -8.993 4.807 7.572 781 H CYS 88 HN CYS 88 -9.002 4.238 5.325 782 HA CYS 88 HA CYS 88 -11.007 6.215 5.096 783 HB2 CYS 88 HB2 CYS 88 -8.678 6.812 4.845 784 HB3 CYS 88 HB1 CYS 88 -8.501 5.717 3.476 785 H ILE 89 HN ILE 89 -9.826 3.755 2.836 786 HA ILE 89 HA ILE 89 -11.540 4.393 0.699 787 HB ILE 89 HB ILE 89 -10.154 1.818 1.434 788 HG12 ILE 89 HG12 ILE 89 -9.551 3.811 -0.758 789 HG13 ILE 89 HG11 ILE 89 -8.786 3.849 0.827 790 HG21 ILE 89 HG21 ILE 89 -10.627 1.062 -0.849 791 HG22 ILE 89 HG22 ILE 89 -11.621 2.494 -1.110 792 HG23 ILE 89 HG23 ILE 89 -12.104 1.293 0.086 793 HD11 ILE 89 HD11 ILE 89 -8.618 1.605 -1.167 794 HD12 ILE 89 HD12 ILE 89 -7.866 1.625 0.429 795 HD13 ILE 89 HD13 ILE 89 -7.358 2.783 -0.801 796 H GLY 90 HN GLY 90 -11.879 2.137 3.408 797 HA2 GLY 90 HA2 GLY 90 -14.255 0.902 2.614 798 HA3 GLY 90 HA1 GLY 90 -13.730 1.101 4.277 799 H LYS 91 HN LYS 91 -13.691 4.018 4.078 800 HA LYS 91 HA LYS 91 -16.405 4.532 4.800 801 HB2 LYS 91 HB2 LYS 91 -14.047 6.376 4.388 802 HB3 LYS 91 HB1 LYS 91 -15.609 6.901 5.004 803 HG2 LYS 91 HG2 LYS 91 -15.369 5.470 6.935 804 HG3 LYS 91 HG1 LYS 91 -13.852 4.831 6.302 805 HD2 LYS 91 HD2 LYS 91 -13.388 6.493 7.990 806 HD3 LYS 91 HD1 LYS 91 -12.889 7.103 6.413 807 HE2 LYS 91 HE2 LYS 91 -14.925 8.425 6.263 808 HE3 LYS 91 HE1 LYS 91 -15.479 7.774 7.805 809 HZ1 LYS 91 HZ1 LYS 91 -13.580 8.808 8.880 810 HZ2 LYS 91 HZ2 LYS 91 -14.508 9.964 8.070 811 HZ3 LYS 91 HZ3 LYS 91 -13.050 9.433 7.400 812 H ASP 92 HN ASP 92 -14.355 5.320 2.048 813 HA ASP 92 HA ASP 92 -16.298 6.880 0.666 814 HB2 ASP 92 HB2 ASP 92 -13.912 7.103 0.171 815 HB3 ASP 92 HB1 ASP 92 -13.848 5.426 -0.361 816 H PHE 93 HN PHE 93 -15.198 3.546 0.437 817 HA PHE 93 HA PHE 93 -16.753 2.702 -1.713 818 HB2 PHE 93 HB2 PHE 93 -14.900 1.403 -0.799 819 HB3 PHE 93 HB1 PHE 93 -15.790 1.151 0.697 820 HD1 PHE 93 HD1 PHE 93 -17.312 -0.620 0.916 821 HD2 PHE 93 HD2 PHE 93 -15.750 0.374 -2.914 822 HE1 PHE 93 HE1 PHE 93 -18.247 -2.704 -0.000 823 HE2 PHE 93 HE2 PHE 93 -16.674 -1.708 -3.835 824 HZ PHE 93 HZ PHE 93 -17.921 -3.249 -2.380 825 H ALA 94 HN ALA 94 -17.499 2.798 1.739 826 HA ALA 94 HA ALA 94 -19.954 1.456 1.623 827 HB1 ALA 94 HB1 ALA 94 -18.786 1.904 3.724 828 HB2 ALA 94 HB2 ALA 94 -20.451 2.486 3.767 829 HB3 ALA 94 HB3 ALA 94 -19.124 3.626 3.543 830 H GLU 95 HN GLU 95 -19.349 4.972 1.714 831 HA GLU 95 HA GLU 95 -22.071 5.621 1.321 832 HB2 GLU 95 HB2 GLU 95 -19.607 7.310 0.907 833 HB3 GLU 95 HB1 GLU 95 -21.256 7.918 0.974 834 HG2 GLU 95 HG2 GLU 95 -21.448 7.025 3.268 835 HG3 GLU 95 HG1 GLU 95 -19.755 6.550 3.189 836 H LYS 96 HN LYS 96 -19.551 4.790 -0.889 837 HA LYS 96 HA LYS 96 -20.777 6.133 -3.117 838 HB2 LYS 96 HB2 LYS 96 -18.928 5.596 -4.341 839 HB3 LYS 96 HB1 LYS 96 -18.254 5.547 -2.726 840 HG2 LYS 96 HG2 LYS 96 -18.530 3.081 -2.757 841 HG3 LYS 96 HG1 LYS 96 -19.019 3.212 -4.445 842 HD2 LYS 96 HD2 LYS 96 -16.355 3.956 -3.245 843 HD3 LYS 96 HD1 LYS 96 -16.692 2.659 -4.392 844 HE2 LYS 96 HE2 LYS 96 -17.326 4.333 -6.075 845 HE3 LYS 96 HE1 LYS 96 -16.960 5.617 -4.925 846 HZ1 LYS 96 HZ1 LYS 96 -14.655 4.704 -4.845 847 HZ2 LYS 96 HZ2 LYS 96 -15.100 5.382 -6.330 848 HZ3 LYS 96 HZ3 LYS 96 -15.063 3.699 -6.149 849 H HIS 97 HN HIS 97 -20.366 2.728 -2.163 850 HA HIS 97 HA HIS 97 -22.341 2.107 -4.240 851 HB2 HIS 97 HB2 HIS 97 -19.858 1.199 -4.241 852 HB3 HIS 97 HB1 HIS 97 -20.575 -0.038 -3.215 853 HD1 HIS 97 HD1 HIS 97 -20.536 1.232 -6.720 854 HD2 HIS 97 HD2 HIS 97 -22.424 -1.745 -4.513 855 HE1 HIS 97 HE1 HIS 97 -21.595 -0.298 -8.412 856 HE2 HIS 97 HE2 HIS 97 -22.739 -2.090 -7.060 857 H LEU 98 HN LEU 98 -21.423 1.333 -0.902 858 HA LEU 98 HA LEU 98 -23.491 -0.592 -0.525 859 HB2 LEU 98 HB2 LEU 98 -21.874 0.992 1.462 860 HB3 LEU 98 HB1 LEU 98 -23.042 -0.225 1.926 861 HG LEU 98 HG LEU 98 -20.536 -0.721 0.314 862 HD11 LEU 98 HD11 LEU 98 -20.076 -0.233 2.657 863 HD12 LEU 98 HD12 LEU 98 -19.789 -1.936 2.296 864 HD13 LEU 98 HD13 LEU 98 -21.256 -1.450 3.148 865 HD21 LEU 98 HD21 LEU 98 -22.593 -2.652 1.375 866 HD22 LEU 98 HD22 LEU 98 -21.082 -3.078 0.568 867 HD23 LEU 98 HD23 LEU 98 -22.347 -2.230 -0.321 868 H ILE 99 HN ILE 99 -23.255 2.871 -0.036 869 HA ILE 99 HA ILE 99 -26.012 3.012 0.893 870 HB ILE 99 HB ILE 99 -24.089 5.241 0.200 871 HG12 ILE 99 HG12 ILE 99 -23.276 3.936 2.094 872 HG13 ILE 99 HG11 ILE 99 -23.854 5.504 2.641 873 HG21 ILE 99 HG21 ILE 99 -26.736 5.314 1.642 874 HG22 ILE 99 HG22 ILE 99 -26.409 5.944 0.027 875 HG23 ILE 99 HG23 ILE 99 -25.642 6.681 1.434 876 HD11 ILE 99 HD11 ILE 99 -24.518 3.768 4.175 877 HD12 ILE 99 HD12 ILE 99 -25.322 2.891 2.874 878 HD13 ILE 99 HD13 ILE 99 -25.937 4.460 3.391 879 HA PRO 100 HA PRO 100 -27.087 3.168 -3.484 880 HB2 PRO 100 HB2 PRO 100 -29.659 2.470 -3.212 881 HB3 PRO 100 HB1 PRO 100 -28.358 1.289 -3.025 882 HG2 PRO 100 HG2 PRO 100 -29.947 2.706 -0.926 883 HG3 PRO 100 HG1 PRO 100 -29.421 1.015 -0.982 884 HD2 PRO 100 HD2 PRO 100 -28.152 2.997 0.455 885 HD3 PRO 100 HD1 PRO 100 -27.370 1.506 -0.105 886 H LYS 101 HN LYS 101 -28.335 4.955 -0.842 887 HA LYS 101 HA LYS 101 -29.945 6.681 -2.547 888 HB2 LYS 101 HB2 LYS 101 -30.539 7.778 -0.327 889 HB3 LYS 101 HB1 LYS 101 -31.088 6.125 -0.555 890 HG2 LYS 101 HG2 LYS 101 -29.250 5.307 0.828 891 HG3 LYS 101 HG1 LYS 101 -28.659 6.957 1.024 892 HD2 LYS 101 HD2 LYS 101 -29.908 6.300 2.987 893 HD3 LYS 101 HD1 LYS 101 -30.786 7.560 2.121 894 HE2 LYS 101 HE2 LYS 101 -32.265 5.899 1.152 895 HE3 LYS 101 HE1 LYS 101 -31.350 4.603 1.918 896 HZ1 LYS 101 HZ1 LYS 101 -32.840 6.729 3.363 897 HZ2 LYS 101 HZ2 LYS 101 -32.006 5.441 4.074 898 HZ3 LYS 101 HZ3 LYS 101 -33.377 5.142 3.135 Start of MODEL 8 1 H1 MET -14 HT1 MET -14 30.586 -34.019 12.086 2 H2 MET -14 HT2 MET -14 29.170 -34.103 11.165 3 H3 MET -14 HT3 MET -14 30.213 -32.787 10.992 4 HA MET -14 HA MET -14 30.891 -35.583 10.333 5 HB2 MET -14 HB2 MET -14 29.227 -34.682 8.778 6 HB3 MET -14 HB1 MET -14 30.214 -33.250 8.527 7 HG2 MET -14 HG2 MET -14 31.965 -34.627 7.529 8 HG3 MET -14 HG1 MET -14 30.981 -36.066 7.786 9 HE1 MET -14 HE1 MET -14 28.006 -35.543 5.337 10 HE2 MET -14 HE2 MET -14 28.053 -35.131 7.051 11 HE3 MET -14 HE3 MET -14 28.789 -36.629 6.485 12 H ALA -13 HN ALA -13 32.981 -35.864 10.638 13 HA ALA -13 HA ALA -13 34.849 -33.725 10.858 14 HB1 ALA -13 HB1 ALA -13 36.528 -35.476 11.074 15 HB2 ALA -13 HB2 ALA -13 35.354 -36.681 10.541 16 HB3 ALA -13 HB3 ALA -13 35.117 -35.837 12.070 17 H HIS -12 HN HIS -12 36.510 -33.135 9.461 18 HA HIS -12 HA HIS -12 37.380 -32.536 7.455 19 HB2 HIS -12 HB2 HIS -12 36.672 -35.397 6.776 20 HB3 HIS -12 HB1 HIS -12 37.580 -34.341 5.704 21 HD1 HIS -12 HD1 HIS -12 40.056 -34.202 6.073 22 HD2 HIS -12 HD2 HIS -12 38.063 -36.005 9.246 23 HE1 HIS -12 HE1 HIS -12 41.853 -35.095 7.581 24 HE2 HIS -12 HE2 HIS -12 40.626 -36.313 9.412 25 H HIS -11 HN HIS -11 35.455 -31.113 7.421 26 HA HIS -11 HA HIS -11 33.661 -31.831 5.199 27 HB2 HIS -11 HB2 HIS -11 31.942 -30.410 6.190 28 HB3 HIS -11 HB1 HIS -11 32.450 -31.639 7.337 29 HD1 HIS -11 HD1 HIS -11 32.374 -27.955 6.796 30 HD2 HIS -11 HD2 HIS -11 33.817 -30.655 9.608 31 HE1 HIS -11 HE1 HIS -11 32.966 -26.577 8.814 32 HE2 HIS -11 HE2 HIS -11 33.729 -28.243 10.541 33 H HIS -10 HN HIS -10 33.629 -30.541 3.471 34 HA HIS -10 HA HIS -10 34.925 -27.917 3.714 35 HB2 HIS -10 HB2 HIS -10 35.783 -28.178 1.401 36 HB3 HIS -10 HB1 HIS -10 36.468 -29.344 2.520 37 HD1 HIS -10 HD1 HIS -10 35.875 -31.837 2.148 38 HD2 HIS -10 HD2 HIS -10 34.223 -29.250 -0.660 39 HE1 HIS -10 HE1 HIS -10 35.065 -33.301 0.271 40 HE2 HIS -10 HE2 HIS -10 34.026 -31.723 -1.397 41 H HIS -9 HN HIS -9 33.617 -26.299 3.268 42 HA HIS -9 HA HIS -9 31.053 -26.866 2.043 43 HB2 HIS -9 HB2 HIS -9 30.427 -24.595 2.678 44 HB3 HIS -9 HB1 HIS -9 31.130 -25.444 4.045 45 HD1 HIS -9 HD1 HIS -9 33.339 -24.534 5.000 46 HD2 HIS -9 HD2 HIS -9 31.918 -22.417 1.713 47 HE1 HIS -9 HE1 HIS -9 34.699 -22.420 4.913 48 HE2 HIS -9 HE2 HIS -9 33.682 -21.070 3.044 49 H HIS -8 HN HIS -8 34.080 -25.906 0.985 50 HA HIS -8 HA HIS -8 33.143 -24.381 -1.292 51 HB2 HIS -8 HB2 HIS -8 35.862 -25.418 -0.495 52 HB3 HIS -8 HB1 HIS -8 35.573 -24.644 -2.047 53 HD1 HIS -8 HD1 HIS -8 37.297 -23.677 0.607 54 HD2 HIS -8 HD2 HIS -8 33.772 -22.112 -0.947 55 HE1 HIS -8 HE1 HIS -8 37.205 -21.295 1.403 56 HE2 HIS -8 HE2 HIS -8 35.138 -20.328 0.333 57 H HIS -7 HN HIS -7 31.628 -26.178 -1.847 58 HA HIS -7 HA HIS -7 32.897 -28.414 -3.227 59 HB2 HIS -7 HB2 HIS -7 30.913 -28.851 -1.812 60 HB3 HIS -7 HB1 HIS -7 29.961 -27.780 -2.833 61 HD1 HIS -7 HD1 HIS -7 31.427 -31.205 -2.706 62 HD2 HIS -7 HD2 HIS -7 29.228 -28.855 -5.336 63 HE1 HIS -7 HE1 HIS -7 30.593 -32.776 -4.481 64 HE2 HIS -7 HE2 HIS -7 29.436 -31.297 -6.157 65 H VAL -6 HN VAL -6 30.732 -25.701 -3.896 66 HA VAL -6 HA VAL -6 31.736 -25.603 -6.623 67 HB VAL -6 HB VAL -6 29.813 -27.005 -6.925 68 HG11 VAL -6 HG11 VAL -6 27.558 -26.332 -6.251 69 HG12 VAL -6 HG12 VAL -6 28.228 -24.914 -5.444 70 HG13 VAL -6 HG13 VAL -6 28.629 -26.529 -4.863 71 HG21 VAL -6 HG21 VAL -6 29.198 -24.170 -7.745 72 HG22 VAL -6 HG22 VAL -6 28.416 -25.606 -8.400 73 HG23 VAL -6 HG23 VAL -6 30.141 -25.351 -8.654 74 H ASP -5 HN ASP -5 29.768 -24.145 -4.082 75 HA ASP -5 HA ASP -5 29.888 -21.543 -5.377 76 HB2 ASP -5 HB2 ASP -5 28.620 -22.405 -2.767 77 HB3 ASP -5 HB1 ASP -5 28.534 -20.778 -3.432 78 H ASP -4 HN ASP -4 32.089 -21.071 -5.283 79 HA ASP -4 HA ASP -4 33.443 -21.077 -2.729 80 HB2 ASP -4 HB2 ASP -4 35.397 -20.407 -3.885 81 HB3 ASP -4 HB1 ASP -4 34.577 -21.520 -4.972 82 H ASP -3 HN ASP -3 31.279 -19.075 -4.235 83 HA ASP -3 HA ASP -3 32.068 -16.845 -2.487 84 HB2 ASP -3 HB2 ASP -3 31.254 -15.246 -4.108 85 HB3 ASP -3 HB1 ASP -3 32.431 -16.287 -4.899 86 H ASP -2 HN ASP -2 30.362 -15.753 -1.469 87 HA ASP -2 HA ASP -2 27.773 -17.156 -1.594 88 HB2 ASP -2 HB2 ASP -2 29.130 -15.903 0.805 89 HB3 ASP -2 HB1 ASP -2 27.470 -16.484 0.803 90 H LYS -1 HN LYS -1 25.995 -15.659 -0.607 91 HA LYS -1 HA LYS -1 26.388 -12.934 -1.603 92 HB2 LYS -1 HB2 LYS -1 24.083 -13.086 -2.644 93 HB3 LYS -1 HB1 LYS -1 25.364 -13.966 -3.462 94 HG2 LYS -1 HG2 LYS -1 24.578 -16.052 -2.582 95 HG3 LYS -1 HG1 LYS -1 23.401 -15.229 -1.557 96 HD2 LYS -1 HD2 LYS -1 22.325 -16.171 -3.533 97 HD3 LYS -1 HD1 LYS -1 22.239 -14.410 -3.552 98 HE2 LYS -1 HE2 LYS -1 24.218 -14.392 -5.056 99 HE3 LYS -1 HE1 LYS -1 24.137 -16.152 -5.116 100 HZ1 LYS -1 HZ1 LYS -1 21.930 -15.982 -6.069 101 HZ2 LYS -1 HZ2 LYS -1 23.045 -15.139 -7.017 102 HZ3 LYS -1 HZ3 LYS -1 21.995 -14.295 -5.996 103 H MET 0 HN MET 0 26.570 -12.865 0.840 104 HA MET 0 HA MET 0 24.093 -12.952 2.304 105 HB2 MET 0 HB2 MET 0 26.283 -13.416 3.371 106 HB3 MET 0 HB1 MET 0 26.765 -11.754 3.077 107 HG2 MET 0 HG2 MET 0 24.343 -12.436 4.709 108 HG3 MET 0 HG1 MET 0 25.953 -12.364 5.415 109 HE1 MET 0 HE1 MET 0 24.224 -9.077 6.697 110 HE2 MET 0 HE2 MET 0 25.074 -10.548 7.170 111 HE3 MET 0 HE3 MET 0 23.472 -10.651 6.441 112 H GLU 1 HN GLU 1 26.238 -10.441 1.034 113 HA GLU 1 HA GLU 1 24.479 -8.305 1.802 114 HB2 GLU 1 HB2 GLU 1 26.975 -8.097 1.568 115 HB3 GLU 1 HB1 GLU 1 26.771 -8.253 -0.171 116 HG2 GLU 1 HG2 GLU 1 27.032 -5.938 0.422 117 HG3 GLU 1 HG1 GLU 1 25.397 -6.219 -0.176 118 H ASP 2 HN ASP 2 22.483 -8.682 0.852 119 HA ASP 2 HA ASP 2 22.374 -8.976 -2.056 120 HB2 ASP 2 HB2 ASP 2 20.955 -10.469 -0.672 121 HB3 ASP 2 HB1 ASP 2 20.115 -9.055 -0.042 122 H THR 3 HN THR 3 22.362 -7.189 -3.200 123 HA THR 3 HA THR 3 20.998 -4.820 -2.113 124 HB THR 3 HB THR 3 22.912 -4.800 -4.448 125 HG1 THR 3 HG1 THR 3 23.491 -4.667 -1.650 126 HG21 THR 3 HG21 THR 3 22.127 -2.711 -2.406 127 HG22 THR 3 HG22 THR 3 21.550 -2.793 -4.071 128 HG23 THR 3 HG23 THR 3 23.253 -2.475 -3.742 129 H ALA 4 HN ALA 4 20.469 -7.377 -4.047 130 HA ALA 4 HA ALA 4 19.366 -6.237 -6.391 131 HB1 ALA 4 HB1 ALA 4 20.072 -8.569 -6.286 132 HB2 ALA 4 HB2 ALA 4 18.378 -8.443 -6.758 133 HB3 ALA 4 HB3 ALA 4 18.803 -8.910 -5.113 134 H ASN 5 HN ASN 5 17.821 -7.529 -3.432 135 HA ASN 5 HA ASN 5 15.405 -6.025 -4.198 136 HB2 ASN 5 HB2 ASN 5 15.710 -8.424 -2.400 137 HB3 ASN 5 HB1 ASN 5 14.234 -7.481 -2.495 138 HD21 ASN 5 HD21 ASN 5 12.997 -9.133 -3.283 139 HD22 ASN 5 HD22 ASN 5 13.179 -9.771 -4.881 140 HA PRO 6 HA PRO 6 16.430 -3.440 -0.719 141 HB2 PRO 6 HB2 PRO 6 14.570 -1.559 -1.186 142 HB3 PRO 6 HB1 PRO 6 16.008 -1.712 -2.203 143 HG2 PRO 6 HG2 PRO 6 13.212 -2.612 -2.728 144 HG3 PRO 6 HG1 PRO 6 14.393 -1.904 -3.844 145 HD2 PRO 6 HD2 PRO 6 13.837 -4.614 -3.627 146 HD3 PRO 6 HD1 PRO 6 15.323 -3.930 -4.311 147 H ASN 7 HN ASN 7 15.728 -3.498 1.349 148 HA ASN 7 HA ASN 7 13.314 -4.938 1.972 149 HB2 ASN 7 HB2 ASN 7 13.978 -4.763 4.273 150 HB3 ASN 7 HB1 ASN 7 15.425 -5.101 3.331 151 HD21 ASN 7 HD21 ASN 7 15.150 -3.884 5.966 152 HD22 ASN 7 HD22 ASN 7 15.897 -2.328 5.855 153 H GLU 8 HN GLU 8 13.957 -1.796 1.167 154 HA GLU 8 HA GLU 8 11.450 -0.883 2.374 155 HB2 GLU 8 HB2 GLU 8 13.275 0.012 3.736 156 HB3 GLU 8 HB1 GLU 8 14.047 0.667 2.299 157 HG2 GLU 8 HG2 GLU 8 12.194 2.187 1.964 158 HG3 GLU 8 HG1 GLU 8 11.355 1.499 3.353 159 H MET 9 HN MET 9 10.166 0.203 1.023 160 HA MET 9 HA MET 9 11.155 0.727 -1.698 161 HB2 MET 9 HB2 MET 9 8.718 0.749 -2.305 162 HB3 MET 9 HB1 MET 9 9.292 -0.796 -1.694 163 HG2 MET 9 HG2 MET 9 7.996 1.190 0.128 164 HG3 MET 9 HG1 MET 9 7.027 0.116 -0.880 165 HE1 MET 9 HE1 MET 9 6.918 -2.492 -0.600 166 HE2 MET 9 HE2 MET 9 7.976 -3.412 0.470 167 HE3 MET 9 HE3 MET 9 8.649 -2.573 -0.926 168 H THR 10 HN THR 10 10.187 2.693 -2.765 169 HA THR 10 HA THR 10 10.261 4.937 -0.950 170 HB THR 10 HB THR 10 9.855 6.270 -3.093 171 HG1 THR 10 HG1 THR 10 10.687 4.074 -4.578 172 HG21 THR 10 HG21 THR 10 12.081 6.026 -2.153 173 HG22 THR 10 HG22 THR 10 12.159 5.909 -3.910 174 HG23 THR 10 HG23 THR 10 12.261 4.451 -2.922 175 H LYS 11 HN LYS 11 8.564 6.622 -0.963 176 HA LYS 11 HA LYS 11 6.073 5.576 -0.317 177 HB2 LYS 11 HB2 LYS 11 5.241 7.882 -0.359 178 HB3 LYS 11 HB1 LYS 11 6.801 7.777 0.442 179 HG2 LYS 11 HG2 LYS 11 7.844 8.536 -1.712 180 HG3 LYS 11 HG1 LYS 11 6.213 8.844 -2.306 181 HD2 LYS 11 HD2 LYS 11 7.520 10.115 0.101 182 HD3 LYS 11 HD1 LYS 11 7.198 10.893 -1.447 183 HE2 LYS 11 HE2 LYS 11 4.783 10.568 -1.086 184 HE3 LYS 11 HE1 LYS 11 5.132 9.836 0.478 185 HZ1 LYS 11 HZ1 LYS 11 4.503 12.200 0.622 186 HZ2 LYS 11 HZ2 LYS 11 5.878 12.608 -0.273 187 HZ3 LYS 11 HZ3 LYS 11 6.045 11.897 1.251 188 H ASP 12 HN ASP 12 7.182 6.955 -3.376 189 HA ASP 12 HA ASP 12 4.661 6.938 -4.657 190 HB2 ASP 12 HB2 ASP 12 6.394 8.359 -5.502 191 HB3 ASP 12 HB1 ASP 12 7.476 6.993 -5.743 192 H ALA 13 HN ALA 13 7.400 4.684 -4.743 193 HA ALA 13 HA ALA 13 6.230 2.915 -6.611 194 HB1 ALA 13 HB1 ALA 13 7.989 1.379 -5.997 195 HB2 ALA 13 HB2 ALA 13 8.356 2.336 -4.561 196 HB3 ALA 13 HB3 ALA 13 8.637 3.009 -6.166 197 H TRP 14 HN TRP 14 6.253 3.037 -3.079 198 HA TRP 14 HA TRP 14 4.941 0.594 -2.619 199 HB2 TRP 14 HB2 TRP 14 6.028 1.902 -0.829 200 HB3 TRP 14 HB1 TRP 14 4.796 3.149 -1.000 201 HD1 TRP 14 HD1 TRP 14 5.163 -0.517 0.146 202 HE1 TRP 14 HE1 TRP 14 3.249 -1.047 1.782 203 HE3 TRP 14 HE3 TRP 14 2.529 3.848 -0.252 204 HZ2 TRP 14 HZ2 TRP 14 0.942 0.228 2.787 205 HZ3 TRP 14 HZ3 TRP 14 0.483 4.115 1.086 206 HH2 TRP 14 HH2 TRP 14 -0.294 2.339 2.573 207 H LEU 15 HN LEU 15 3.716 3.889 -3.048 208 HA LEU 15 HA LEU 15 0.989 3.330 -2.798 209 HB2 LEU 15 HB2 LEU 15 2.439 5.445 -4.364 210 HB3 LEU 15 HB1 LEU 15 0.702 5.414 -4.173 211 HG LEU 15 HG LEU 15 2.680 5.633 -1.908 212 HD11 LEU 15 HD11 LEU 15 2.764 7.625 -3.250 213 HD12 LEU 15 HD12 LEU 15 1.889 7.961 -1.754 214 HD13 LEU 15 HD13 LEU 15 1.003 7.734 -3.261 215 HD21 LEU 15 HD21 LEU 15 0.664 4.610 -1.139 216 HD22 LEU 15 HD22 LEU 15 -0.326 5.785 -1.997 217 HD23 LEU 15 HD23 LEU 15 0.647 6.293 -0.618 218 H ASN 16 HN ASN 16 3.185 2.912 -5.439 219 HA ASN 16 HA ASN 16 1.127 2.500 -7.408 220 HB2 ASN 16 HB2 ASN 16 3.387 3.409 -7.914 221 HB3 ASN 16 HB1 ASN 16 4.080 1.839 -7.516 222 HD21 ASN 16 HD21 ASN 16 2.222 3.657 -9.809 223 HD22 ASN 16 HD22 ASN 16 2.300 2.501 -11.095 224 H SER 17 HN SER 17 2.854 0.589 -5.113 225 HA SER 17 HA SER 17 2.236 -1.918 -6.452 226 HB2 SER 17 HB2 SER 17 3.734 -1.374 -3.883 227 HB3 SER 17 HB1 SER 17 3.602 -2.942 -4.683 228 HG SER 17 HG SER 17 4.708 -0.616 -5.887 229 H MET 18 HN MET 18 1.050 -0.022 -3.760 230 HA MET 18 HA MET 18 -0.162 -2.369 -2.514 231 HB2 MET 18 HB2 MET 18 -0.069 -1.267 -0.545 232 HB3 MET 18 HB1 MET 18 1.063 -0.221 -1.388 233 HG2 MET 18 HG2 MET 18 -1.890 0.309 -1.194 234 HG3 MET 18 HG1 MET 18 -0.689 0.973 -0.085 235 HE1 MET 18 HE1 MET 18 -2.844 2.603 -1.975 236 HE2 MET 18 HE2 MET 18 -1.850 3.965 -2.493 237 HE3 MET 18 HE3 MET 18 -1.801 3.425 -0.816 238 H THR 19 HN THR 19 -1.004 0.326 -4.442 239 HA THR 19 HA THR 19 -3.593 0.882 -3.747 240 HB THR 19 HB THR 19 -3.704 1.132 -6.463 241 HG1 THR 19 HG1 THR 19 -1.054 1.868 -6.002 242 HG21 THR 19 HG21 THR 19 -2.341 2.999 -4.523 243 HG22 THR 19 HG22 THR 19 -4.075 2.912 -4.827 244 HG23 THR 19 HG23 THR 19 -2.984 3.441 -6.104 245 HA PRO 20 HA PRO 20 -5.340 -2.524 -6.560 246 HB2 PRO 20 HB2 PRO 20 -3.784 -4.323 -7.760 247 HB3 PRO 20 HB1 PRO 20 -3.962 -2.679 -8.390 248 HG2 PRO 20 HG2 PRO 20 -1.735 -3.827 -6.736 249 HG3 PRO 20 HG1 PRO 20 -1.634 -2.812 -8.186 250 HD2 PRO 20 HD2 PRO 20 -1.420 -1.863 -5.630 251 HD3 PRO 20 HD1 PRO 20 -1.976 -0.891 -7.004 252 H LEU 21 HN LEU 21 -3.139 -3.067 -4.086 253 HA LEU 21 HA LEU 21 -3.942 -5.829 -3.603 254 HB2 LEU 21 HB2 LEU 21 -2.114 -3.993 -2.052 255 HB3 LEU 21 HB1 LEU 21 -2.406 -5.679 -1.667 256 HG LEU 21 HG LEU 21 -1.083 -4.645 -4.177 257 HD11 LEU 21 HD11 LEU 21 0.929 -5.682 -3.253 258 HD12 LEU 21 HD12 LEU 21 0.040 -6.095 -1.788 259 HD13 LEU 21 HD13 LEU 21 0.317 -4.405 -2.204 260 HD21 LEU 21 HD21 LEU 21 -1.588 -7.467 -3.235 261 HD22 LEU 21 HD22 LEU 21 -0.599 -7.015 -4.623 262 HD23 LEU 21 HD23 LEU 21 -2.329 -6.679 -4.629 263 H LEU 22 HN LEU 22 -4.845 -2.674 -2.778 264 HA LEU 22 HA LEU 22 -5.874 -3.128 -0.180 265 HB2 LEU 22 HB2 LEU 22 -6.554 -0.976 -2.180 266 HB3 LEU 22 HB1 LEU 22 -7.006 -0.962 -0.489 267 HG LEU 22 HG LEU 22 -4.161 -0.943 -1.503 268 HD11 LEU 22 HD11 LEU 22 -4.124 1.393 -0.831 269 HD12 LEU 22 HD12 LEU 22 -5.829 1.308 -0.397 270 HD13 LEU 22 HD13 LEU 22 -5.337 1.119 -2.079 271 HD21 LEU 22 HD21 LEU 22 -3.606 -0.365 0.814 272 HD22 LEU 22 HD22 LEU 22 -4.375 -1.947 0.701 273 HD23 LEU 22 HD23 LEU 22 -5.301 -0.554 1.263 274 HA PRO 23 HA PRO 23 -10.171 -3.242 -2.847 275 HB2 PRO 23 HB2 PRO 23 -8.817 -5.129 -4.750 276 HB3 PRO 23 HB1 PRO 23 -10.251 -4.126 -4.996 277 HG2 PRO 23 HG2 PRO 23 -7.970 -3.249 -5.928 278 HG3 PRO 23 HG1 PRO 23 -9.014 -2.140 -5.029 279 HD2 PRO 23 HD2 PRO 23 -6.525 -3.505 -4.139 280 HD3 PRO 23 HD1 PRO 23 -7.121 -1.878 -3.767 281 H ASP 24 HN ASP 24 -7.926 -6.007 -2.560 282 HA ASP 24 HA ASP 24 -9.944 -7.899 -1.971 283 HB2 ASP 24 HB2 ASP 24 -7.752 -8.660 -2.663 284 HB3 ASP 24 HB1 ASP 24 -7.005 -7.911 -1.252 285 H LEU 25 HN LEU 25 -7.646 -6.246 0.170 286 HA LEU 25 HA LEU 25 -8.581 -7.217 2.595 287 HB2 LEU 25 HB2 LEU 25 -6.465 -5.961 2.222 288 HB3 LEU 25 HB1 LEU 25 -7.401 -4.491 2.063 289 HG LEU 25 HG LEU 25 -8.212 -4.837 4.411 290 HD11 LEU 25 HD11 LEU 25 -6.083 -6.972 4.420 291 HD12 LEU 25 HD12 LEU 25 -7.820 -7.230 4.583 292 HD13 LEU 25 HD13 LEU 25 -6.935 -6.363 5.838 293 HD21 LEU 25 HD21 LEU 25 -5.231 -4.586 4.018 294 HD22 LEU 25 HD22 LEU 25 -6.132 -4.070 5.444 295 HD23 LEU 25 HD23 LEU 25 -6.409 -3.280 3.892 296 H ILE 26 HN ILE 26 -9.690 -4.525 0.645 297 HA ILE 26 HA ILE 26 -11.383 -3.410 2.634 298 HB ILE 26 HB ILE 26 -11.603 -3.082 -0.359 299 HG12 ILE 26 HG12 ILE 26 -9.370 -2.455 0.368 300 HG13 ILE 26 HG11 ILE 26 -10.291 -1.007 -0.015 301 HG21 ILE 26 HG21 ILE 26 -13.594 -2.374 0.832 302 HG22 ILE 26 HG22 ILE 26 -12.727 -0.978 0.196 303 HG23 ILE 26 HG23 ILE 26 -12.619 -1.376 1.911 304 HD11 ILE 26 HD11 ILE 26 -10.678 -0.635 2.373 305 HD12 ILE 26 HD12 ILE 26 -8.961 -0.688 1.976 306 HD13 ILE 26 HD13 ILE 26 -9.730 -2.077 2.741 307 H CYS 27 HN CYS 27 -12.143 -5.298 -0.315 308 HA CYS 27 HA CYS 27 -14.905 -5.438 0.189 309 HB2 CYS 27 HB2 CYS 27 -13.803 -5.941 -2.022 310 HB3 CYS 27 HB1 CYS 27 -13.304 -7.488 -1.351 311 H LYS 28 HN LYS 28 -12.253 -7.622 1.052 312 HA LYS 28 HA LYS 28 -13.797 -9.738 2.027 313 HB2 LYS 28 HB2 LYS 28 -11.049 -8.789 2.823 314 HB3 LYS 28 HB1 LYS 28 -11.766 -10.270 3.434 315 HG2 LYS 28 HG2 LYS 28 -11.302 -9.678 0.523 316 HG3 LYS 28 HG1 LYS 28 -10.200 -10.598 1.546 317 HD2 LYS 28 HD2 LYS 28 -11.950 -12.244 1.969 318 HD3 LYS 28 HD1 LYS 28 -13.074 -11.313 0.977 319 HE2 LYS 28 HE2 LYS 28 -12.123 -13.203 -0.251 320 HE3 LYS 28 HE1 LYS 28 -11.683 -11.655 -0.971 321 HZ1 LYS 28 HZ1 LYS 28 -9.511 -11.812 -0.119 322 HZ2 LYS 28 HZ2 LYS 28 -9.851 -13.335 -0.774 323 HZ3 LYS 28 HZ3 LYS 28 -9.908 -13.107 0.900 324 H GLY 29 HN GLY 29 -12.828 -6.712 3.522 325 HA2 GLY 29 HA2 GLY 29 -13.488 -7.339 6.188 326 HA3 GLY 29 HA1 GLY 29 -13.429 -5.721 5.502 327 H PHE 30 HN PHE 30 -15.428 -6.130 3.508 328 HA PHE 30 HA PHE 30 -17.763 -5.735 5.148 329 HB2 PHE 30 HB2 PHE 30 -17.393 -5.713 2.146 330 HB3 PHE 30 HB1 PHE 30 -18.902 -5.318 2.963 331 HD1 PHE 30 HD1 PHE 30 -18.835 -3.392 4.664 332 HD2 PHE 30 HD2 PHE 30 -15.819 -4.054 1.739 333 HE1 PHE 30 HE1 PHE 30 -18.108 -1.054 4.894 334 HE2 PHE 30 HE2 PHE 30 -15.086 -1.716 1.966 335 HZ PHE 30 HZ PHE 30 -16.229 -0.214 3.543 336 H ILE 31 HN ILE 31 -16.327 -8.357 3.508 337 HA ILE 31 HA ILE 31 -18.779 -9.882 3.278 338 HB ILE 31 HB ILE 31 -15.911 -10.734 2.838 339 HG12 ILE 31 HG12 ILE 31 -18.067 -10.029 0.836 340 HG13 ILE 31 HG11 ILE 31 -16.723 -8.981 1.281 341 HG21 ILE 31 HG21 ILE 31 -17.339 -12.628 3.383 342 HG22 ILE 31 HG22 ILE 31 -16.870 -12.671 1.682 343 HG23 ILE 31 HG23 ILE 31 -18.488 -12.137 2.138 344 HD11 ILE 31 HD11 ILE 31 -16.298 -10.100 -0.825 345 HD12 ILE 31 HD12 ILE 31 -16.506 -11.670 -0.052 346 HD13 ILE 31 HD13 ILE 31 -15.153 -10.636 0.405 347 H GLN 32 HN GLN 32 -15.865 -9.848 5.273 348 HA GLN 32 HA GLN 32 -16.470 -12.177 6.757 349 HB2 GLN 32 HB2 GLN 32 -14.657 -9.845 7.356 350 HB3 GLN 32 HB1 GLN 32 -14.738 -11.301 8.340 351 HG2 GLN 32 HG2 GLN 32 -14.088 -12.625 6.366 352 HG3 GLN 32 HG1 GLN 32 -13.920 -11.128 5.449 353 HE21 GLN 32 HE21 GLN 32 -11.744 -11.517 5.073 354 HE22 GLN 32 HE22 GLN 32 -10.549 -11.320 6.305 355 H ASP 33 HN ASP 33 -17.095 -8.745 7.349 356 HA ASP 33 HA ASP 33 -18.221 -9.201 9.946 357 HB2 ASP 33 HB2 ASP 33 -17.233 -7.015 9.251 358 HB3 ASP 33 HB1 ASP 33 -18.582 -6.802 8.144 359 HA PRO 34 HA PRO 34 -21.928 -11.041 8.356 360 HB2 PRO 34 HB2 PRO 34 -22.975 -10.428 11.053 361 HB3 PRO 34 HB1 PRO 34 -22.862 -11.978 10.216 362 HG2 PRO 34 HG2 PRO 34 -21.231 -11.349 12.244 363 HG3 PRO 34 HG1 PRO 34 -20.682 -12.323 10.869 364 HD2 PRO 34 HD2 PRO 34 -20.158 -9.461 11.499 365 HD3 PRO 34 HD1 PRO 34 -19.101 -10.668 10.739 366 H ASP 35 HN ASP 35 -22.028 -8.044 10.234 367 HA ASP 35 HA ASP 35 -24.684 -7.389 9.371 368 HB2 ASP 35 HB2 ASP 35 -22.578 -5.939 10.929 369 HB3 ASP 35 HB1 ASP 35 -24.002 -5.081 10.345 370 H LEU 36 HN LEU 36 -21.423 -6.521 8.393 371 HA LEU 36 HA LEU 36 -22.280 -4.596 6.467 372 HB2 LEU 36 HB2 LEU 36 -19.694 -6.132 6.702 373 HB3 LEU 36 HB1 LEU 36 -19.966 -4.835 5.559 374 HG LEU 36 HG LEU 36 -19.958 -4.582 8.569 375 HD11 LEU 36 HD11 LEU 36 -17.937 -3.269 8.233 376 HD12 LEU 36 HD12 LEU 36 -18.014 -3.577 6.499 377 HD13 LEU 36 HD13 LEU 36 -17.739 -4.911 7.621 378 HD21 LEU 36 HD21 LEU 36 -20.109 -2.159 8.141 379 HD22 LEU 36 HD22 LEU 36 -21.548 -3.032 7.613 380 HD23 LEU 36 HD23 LEU 36 -20.357 -2.496 6.427 381 H LYS 37 HN LYS 37 -21.674 -8.035 6.450 382 HA LYS 37 HA LYS 37 -21.714 -8.458 3.682 383 HB2 LYS 37 HB2 LYS 37 -20.979 -10.160 5.299 384 HB3 LYS 37 HB1 LYS 37 -22.621 -10.301 5.905 385 HG2 LYS 37 HG2 LYS 37 -22.116 -12.152 4.451 386 HG3 LYS 37 HG1 LYS 37 -23.344 -11.128 3.707 387 HD2 LYS 37 HD2 LYS 37 -21.638 -10.091 2.300 388 HD3 LYS 37 HD1 LYS 37 -20.396 -11.082 3.066 389 HE2 LYS 37 HE2 LYS 37 -21.057 -11.999 0.902 390 HE3 LYS 37 HE1 LYS 37 -21.458 -13.100 2.218 391 HZ1 LYS 37 HZ1 LYS 37 -23.748 -12.273 2.122 392 HZ2 LYS 37 HZ2 LYS 37 -23.271 -12.973 0.662 393 HZ3 LYS 37 HZ3 LYS 37 -23.345 -11.294 0.805 394 H LYS 38 HN LYS 38 -24.223 -7.842 5.962 395 HA LYS 38 HA LYS 38 -26.463 -8.692 4.493 396 HB2 LYS 38 HB2 LYS 38 -26.305 -6.293 6.321 397 HB3 LYS 38 HB1 LYS 38 -27.747 -7.210 5.900 398 HG2 LYS 38 HG2 LYS 38 -26.796 -9.173 7.039 399 HG3 LYS 38 HG1 LYS 38 -25.398 -8.190 7.498 400 HD2 LYS 38 HD2 LYS 38 -26.794 -6.728 8.801 401 HD3 LYS 38 HD1 LYS 38 -28.249 -7.555 8.242 402 HE2 LYS 38 HE2 LYS 38 -27.610 -9.568 9.386 403 HE3 LYS 38 HE1 LYS 38 -26.049 -8.876 9.819 404 HZ1 LYS 38 HZ1 LYS 38 -27.679 -8.848 11.643 405 HZ2 LYS 38 HZ2 LYS 38 -28.662 -7.811 10.735 406 HZ3 LYS 38 HZ3 LYS 38 -27.124 -7.301 11.235 407 H ARG 39 HN ARG 39 -24.773 -5.579 4.637 408 HA ARG 39 HA ARG 39 -26.534 -4.300 2.776 409 HB2 ARG 39 HB2 ARG 39 -25.213 -3.119 4.558 410 HB3 ARG 39 HB1 ARG 39 -23.760 -3.445 3.627 411 HG2 ARG 39 HG2 ARG 39 -24.531 -1.183 3.261 412 HG3 ARG 39 HG1 ARG 39 -24.650 -2.125 1.774 413 HD2 ARG 39 HD2 ARG 39 -26.629 -0.706 2.152 414 HD3 ARG 39 HD1 ARG 39 -27.033 -2.421 2.119 415 HE ARG 39 HE ARG 39 -26.537 -1.367 4.756 416 HH11 ARG 39 HH11 ARG 39 -28.956 -1.833 2.272 417 HH12 ARG 39 HH12 ARG 39 -30.281 -1.888 3.390 418 HH21 ARG 39 HH21 ARG 39 -28.276 -1.424 6.236 419 HH22 ARG 39 HH22 ARG 39 -29.892 -1.646 5.649 420 H PHE 40 HN PHE 40 -23.463 -5.914 2.683 421 HA PHE 40 HA PHE 40 -22.632 -5.457 0.070 422 HB2 PHE 40 HB2 PHE 40 -21.400 -6.632 1.922 423 HB3 PHE 40 HB1 PHE 40 -22.422 -8.031 1.638 424 HD1 PHE 40 HD1 PHE 40 -20.074 -5.765 -0.139 425 HD2 PHE 40 HD2 PHE 40 -21.709 -9.677 0.203 426 HE1 PHE 40 HE1 PHE 40 -18.462 -6.581 -1.803 427 HE2 PHE 40 HE2 PHE 40 -20.101 -10.499 -1.465 428 HZ PHE 40 HZ PHE 40 -18.474 -8.951 -2.469 429 H ASP 41 HN ASP 41 -24.962 -7.750 1.381 430 HA ASP 41 HA ASP 41 -25.457 -9.018 -1.152 431 HB2 ASP 41 HB2 ASP 41 -25.675 -10.238 0.989 432 HB3 ASP 41 HB1 ASP 41 -27.020 -9.191 1.431 433 H GLU 42 HN GLU 42 -27.010 -6.544 0.821 434 HA GLU 42 HA GLU 42 -29.443 -6.356 -0.542 435 HB2 GLU 42 HB2 GLU 42 -27.893 -4.155 0.833 436 HB3 GLU 42 HB1 GLU 42 -29.588 -4.077 0.383 437 HG2 GLU 42 HG2 GLU 42 -28.425 -6.061 2.320 438 HG3 GLU 42 HG1 GLU 42 -29.210 -4.553 2.777 439 H ILE 43 HN ILE 43 -26.299 -4.938 -1.258 440 HA ILE 43 HA ILE 43 -27.361 -3.335 -3.424 441 HB ILE 43 HB ILE 43 -24.455 -3.865 -2.776 442 HG12 ILE 43 HG12 ILE 43 -25.567 -2.993 -0.782 443 HG13 ILE 43 HG11 ILE 43 -24.507 -1.779 -1.481 444 HG21 ILE 43 HG21 ILE 43 -24.838 -2.878 -4.969 445 HG22 ILE 43 HG22 ILE 43 -24.071 -1.716 -3.886 446 HG23 ILE 43 HG23 ILE 43 -25.795 -1.591 -4.236 447 HD11 ILE 43 HD11 ILE 43 -26.587 -0.792 -0.730 448 HD12 ILE 43 HD12 ILE 43 -27.499 -1.887 -1.771 449 HD13 ILE 43 HD13 ILE 43 -26.437 -0.671 -2.483 450 H LYS 44 HN LYS 44 -26.677 -6.512 -3.007 451 HA LYS 44 HA LYS 44 -26.251 -8.309 -4.311 452 HB2 LYS 44 HB2 LYS 44 -27.180 -6.464 -6.519 453 HB3 LYS 44 HB1 LYS 44 -27.027 -8.210 -6.649 454 HG2 LYS 44 HG2 LYS 44 -28.890 -6.739 -4.797 455 HG3 LYS 44 HG1 LYS 44 -29.338 -7.542 -6.303 456 HD2 LYS 44 HD2 LYS 44 -28.671 -9.688 -5.394 457 HD3 LYS 44 HD1 LYS 44 -28.119 -8.911 -3.909 458 HE2 LYS 44 HE2 LYS 44 -30.303 -9.918 -3.584 459 HE3 LYS 44 HE1 LYS 44 -30.399 -8.164 -3.452 460 HZ1 LYS 44 HZ1 LYS 44 -31.220 -8.095 -5.736 461 HZ2 LYS 44 HZ2 LYS 44 -32.227 -9.019 -4.747 462 HZ3 LYS 44 HZ3 LYS 44 -31.165 -9.782 -5.821 463 H MET 45 HN MET 45 -24.062 -6.888 -3.636 464 HA MET 45 HA MET 45 -22.453 -6.654 -6.080 465 HB2 MET 45 HB2 MET 45 -22.565 -4.653 -4.664 466 HB3 MET 45 HB1 MET 45 -21.976 -5.586 -3.295 467 HG2 MET 45 HG2 MET 45 -19.838 -5.828 -4.240 468 HG3 MET 45 HG1 MET 45 -20.392 -5.281 -5.822 469 HE1 MET 45 HE1 MET 45 -20.383 -2.395 -2.233 470 HE2 MET 45 HE2 MET 45 -20.034 -4.117 -2.043 471 HE3 MET 45 HE3 MET 45 -21.634 -3.593 -2.567 472 H THR 46 HN THR 46 -20.526 -7.775 -6.282 473 HA THR 46 HA THR 46 -20.013 -9.819 -4.230 474 HB THR 46 HB THR 46 -19.045 -11.177 -6.132 475 HG1 THR 46 HG1 THR 46 -19.520 -10.563 -8.207 476 HG21 THR 46 HG21 THR 46 -21.227 -11.698 -5.170 477 HG22 THR 46 HG22 THR 46 -21.230 -11.977 -6.912 478 HG23 THR 46 HG23 THR 46 -21.987 -10.529 -6.249 479 H TYR 47 HN TYR 47 -17.706 -10.657 -4.347 480 HA TYR 47 HA TYR 47 -15.878 -8.674 -3.733 481 HB2 TYR 47 HB2 TYR 47 -15.552 -10.987 -3.076 482 HB3 TYR 47 HB1 TYR 47 -15.397 -11.484 -4.755 483 HD1 TYR 47 HD1 TYR 47 -13.728 -9.770 -1.957 484 HD2 TYR 47 HD2 TYR 47 -13.348 -11.175 -5.961 485 HE1 TYR 47 HE1 TYR 47 -11.292 -9.465 -1.834 486 HE2 TYR 47 HE2 TYR 47 -10.914 -10.875 -5.842 487 HH TYR 47 HH TYR 47 -9.271 -10.297 -2.909 488 H GLU 48 HN GLU 48 -16.282 -10.387 -6.833 489 HA GLU 48 HA GLU 48 -14.150 -9.167 -8.188 490 HB2 GLU 48 HB2 GLU 48 -16.731 -10.302 -9.257 491 HB3 GLU 48 HB1 GLU 48 -15.387 -9.800 -10.267 492 HG2 GLU 48 HG2 GLU 48 -13.957 -11.456 -9.123 493 HG3 GLU 48 HG1 GLU 48 -15.372 -12.002 -8.223 494 H GLN 49 HN GLN 49 -17.346 -8.009 -7.465 495 HA GLN 49 HA GLN 49 -17.208 -5.873 -9.399 496 HB2 GLN 49 HB2 GLN 49 -19.369 -6.902 -8.756 497 HB3 GLN 49 HB1 GLN 49 -19.161 -6.275 -7.127 498 HG2 GLN 49 HG2 GLN 49 -20.682 -4.906 -8.478 499 HG3 GLN 49 HG1 GLN 49 -19.263 -4.008 -7.941 500 HE21 GLN 49 HE21 GLN 49 -19.515 -2.496 -9.585 501 HE22 GLN 49 HE22 GLN 49 -19.117 -2.849 -11.228 502 H CYS 50 HN CYS 50 -16.660 -6.317 -5.958 503 HA CYS 50 HA CYS 50 -16.403 -3.654 -5.172 504 HB2 CYS 50 HB2 CYS 50 -14.705 -5.945 -4.179 505 HB3 CYS 50 HB1 CYS 50 -15.061 -4.447 -3.330 506 H VAL 51 HN VAL 51 -13.977 -5.883 -6.494 507 HA VAL 51 HA VAL 51 -11.803 -4.183 -5.944 508 HB VAL 51 HB VAL 51 -10.470 -5.685 -7.395 509 HG11 VAL 51 HG11 VAL 51 -12.277 -6.988 -5.363 510 HG12 VAL 51 HG12 VAL 51 -10.719 -6.213 -5.061 511 HG13 VAL 51 HG13 VAL 51 -10.797 -7.706 -5.997 512 HG21 VAL 51 HG21 VAL 51 -12.151 -6.233 -9.063 513 HG22 VAL 51 HG22 VAL 51 -13.116 -7.066 -7.844 514 HG23 VAL 51 HG23 VAL 51 -11.537 -7.702 -8.306 515 H THR 52 HN THR 52 -14.042 -4.078 -8.544 516 HA THR 52 HA THR 52 -12.181 -2.540 -10.174 517 HB THR 52 HB THR 52 -13.704 -4.106 -11.321 518 HG1 THR 52 HG1 THR 52 -14.639 -1.629 -12.202 519 HG21 THR 52 HG21 THR 52 -15.897 -2.258 -10.393 520 HG22 THR 52 HG22 THR 52 -15.656 -3.925 -9.875 521 HG23 THR 52 HG23 THR 52 -16.082 -3.575 -11.550 522 H LEU 53 HN LEU 53 -14.337 -2.015 -7.653 523 HA LEU 53 HA LEU 53 -14.920 0.738 -8.463 524 HB2 LEU 53 HB2 LEU 53 -15.926 -0.642 -6.007 525 HB3 LEU 53 HB1 LEU 53 -16.577 0.787 -6.778 526 HG LEU 53 HG LEU 53 -16.679 -2.024 -7.844 527 HD11 LEU 53 HD11 LEU 53 -19.104 -1.771 -7.552 528 HD12 LEU 53 HD12 LEU 53 -18.834 -0.198 -6.803 529 HD13 LEU 53 HD13 LEU 53 -18.230 -1.660 -6.025 530 HD21 LEU 53 HD21 LEU 53 -17.777 0.505 -9.052 531 HD22 LEU 53 HD22 LEU 53 -18.030 -1.133 -9.655 532 HD23 LEU 53 HD23 LEU 53 -16.412 -0.433 -9.662 533 H ILE 54 HN ILE 54 -13.227 -1.169 -6.100 534 HA ILE 54 HA ILE 54 -12.654 0.718 -4.157 535 HB ILE 54 HB ILE 54 -10.849 -1.546 -5.018 536 HG12 ILE 54 HG12 ILE 54 -13.144 -2.290 -4.477 537 HG13 ILE 54 HG11 ILE 54 -11.978 -2.853 -3.288 538 HG21 ILE 54 HG21 ILE 54 -9.658 -0.024 -3.604 539 HG22 ILE 54 HG22 ILE 54 -10.093 -1.425 -2.635 540 HG23 ILE 54 HG23 ILE 54 -11.007 0.071 -2.479 541 HD11 ILE 54 HD11 ILE 54 -13.886 -0.556 -2.986 542 HD12 ILE 54 HD12 ILE 54 -12.656 -1.009 -1.807 543 HD13 ILE 54 HD13 ILE 54 -13.972 -2.122 -2.182 544 HA PRO 55 HA PRO 55 -8.487 1.633 -6.827 545 HB2 PRO 55 HB2 PRO 55 -10.065 1.804 -9.362 546 HB3 PRO 55 HB1 PRO 55 -8.361 1.393 -9.120 547 HG2 PRO 55 HG2 PRO 55 -10.131 -0.521 -9.579 548 HG3 PRO 55 HG1 PRO 55 -8.848 -0.752 -8.375 549 HD2 PRO 55 HD2 PRO 55 -11.749 -0.198 -7.976 550 HD3 PRO 55 HD1 PRO 55 -10.643 -1.187 -7.003 551 H GLU 56 HN GLU 56 -11.739 2.862 -7.096 552 HA GLU 56 HA GLU 56 -11.055 5.516 -7.858 553 HB2 GLU 56 HB2 GLU 56 -13.341 4.604 -8.087 554 HB3 GLU 56 HB1 GLU 56 -13.475 4.517 -6.338 555 HG2 GLU 56 HG2 GLU 56 -14.649 6.448 -7.114 556 HG3 GLU 56 HG1 GLU 56 -13.214 6.972 -6.233 557 H SER 57 HN SER 57 -11.519 3.870 -4.759 558 HA SER 57 HA SER 57 -10.963 6.288 -3.272 559 HB2 SER 57 HB2 SER 57 -12.579 4.506 -2.463 560 HB3 SER 57 HB1 SER 57 -11.178 3.481 -2.178 561 HG SER 57 HG SER 57 -11.806 5.961 -0.967 562 H THR 58 HN THR 58 -9.249 3.411 -4.352 563 HA THR 58 HA THR 58 -7.030 3.596 -2.633 564 HB THR 58 HB THR 58 -5.762 2.320 -4.282 565 HG1 THR 58 HG1 THR 58 -6.240 2.411 -6.339 566 HG21 THR 58 HG21 THR 58 -7.218 0.379 -4.532 567 HG22 THR 58 HG22 THR 58 -8.618 1.385 -4.152 568 HG23 THR 58 HG23 THR 58 -7.385 1.096 -2.925 569 H LYS 59 HN LYS 59 -7.697 5.061 -5.773 570 HA LYS 59 HA LYS 59 -5.249 6.467 -6.008 571 HB2 LYS 59 HB2 LYS 59 -6.974 5.952 -7.826 572 HB3 LYS 59 HB1 LYS 59 -7.898 7.304 -7.189 573 HG2 LYS 59 HG2 LYS 59 -6.631 8.034 -9.085 574 HG3 LYS 59 HG1 LYS 59 -5.966 8.780 -7.629 575 HD2 LYS 59 HD2 LYS 59 -4.152 7.208 -7.583 576 HD3 LYS 59 HD1 LYS 59 -4.866 6.281 -8.904 577 HE2 LYS 59 HE2 LYS 59 -4.545 8.155 -10.417 578 HE3 LYS 59 HE1 LYS 59 -3.897 9.131 -9.100 579 HZ1 LYS 59 HZ1 LYS 59 -2.683 6.599 -10.062 580 HZ2 LYS 59 HZ2 LYS 59 -2.032 7.663 -8.923 581 HZ3 LYS 59 HZ3 LYS 59 -2.177 8.140 -10.538 582 H LYS 60 HN LYS 60 -8.438 7.316 -4.798 583 HA LYS 60 HA LYS 60 -8.022 10.012 -4.213 584 HB2 LYS 60 HB2 LYS 60 -10.226 8.994 -4.271 585 HB3 LYS 60 HB1 LYS 60 -9.825 7.968 -2.903 586 HG2 LYS 60 HG2 LYS 60 -9.622 9.987 -1.497 587 HG3 LYS 60 HG1 LYS 60 -10.133 10.961 -2.878 588 HD2 LYS 60 HD2 LYS 60 -11.740 8.742 -1.610 589 HD3 LYS 60 HD1 LYS 60 -12.001 10.471 -1.352 590 HE2 LYS 60 HE2 LYS 60 -12.454 10.744 -3.746 591 HE3 LYS 60 HE1 LYS 60 -12.209 9.016 -3.986 592 HZ1 LYS 60 HZ1 LYS 60 -14.549 9.563 -3.833 593 HZ2 LYS 60 HZ2 LYS 60 -14.324 10.242 -2.303 594 HZ3 LYS 60 HZ3 LYS 60 -14.089 8.578 -2.534 595 H CYS 61 HN CYS 61 -7.979 7.259 -1.941 596 HA CYS 61 HA CYS 61 -7.087 8.839 0.233 597 HB2 CYS 61 HB2 CYS 61 -7.090 5.842 -0.131 598 HB3 CYS 61 HB1 CYS 61 -6.810 6.674 1.398 599 H GLN 62 HN GLN 62 -5.413 7.169 -2.298 600 HA GLN 62 HA GLN 62 -2.848 7.039 -1.180 601 HB2 GLN 62 HB2 GLN 62 -3.301 5.991 -3.301 602 HB3 GLN 62 HB1 GLN 62 -3.752 7.524 -4.022 603 HG2 GLN 62 HG2 GLN 62 -1.008 7.244 -2.930 604 HG3 GLN 62 HG1 GLN 62 -1.396 6.412 -4.434 605 HE21 GLN 62 HE21 GLN 62 -3.307 8.501 -5.242 606 HE22 GLN 62 HE22 GLN 62 -2.346 9.846 -5.746 607 H ASP 63 HN ASP 63 -4.423 9.620 -3.036 608 HA ASP 63 HA ASP 63 -2.286 11.458 -2.864 609 HB2 ASP 63 HB2 ASP 63 -4.026 11.653 -4.568 610 HB3 ASP 63 HB1 ASP 63 -5.237 11.945 -3.325 611 H GLU 64 HN GLU 64 -4.967 10.718 -0.788 612 HA GLU 64 HA GLU 64 -5.038 12.973 0.856 613 HB2 GLU 64 HB2 GLU 64 -5.516 10.062 1.551 614 HB3 GLU 64 HB1 GLU 64 -5.973 11.425 2.560 615 HG2 GLU 64 HG2 GLU 64 -7.012 10.901 -0.214 616 HG3 GLU 64 HG1 GLU 64 -7.859 10.523 1.284 617 H LEU 65 HN LEU 65 -3.391 9.908 1.379 618 HA LEU 65 HA LEU 65 -2.045 10.931 3.708 619 HB2 LEU 65 HB2 LEU 65 -1.856 8.237 2.376 620 HB3 LEU 65 HB1 LEU 65 -1.299 8.641 3.989 621 HG LEU 65 HG LEU 65 -4.187 8.957 3.212 622 HD11 LEU 65 HD11 LEU 65 -4.596 6.763 4.219 623 HD12 LEU 65 HD12 LEU 65 -2.853 6.493 4.301 624 HD13 LEU 65 HD13 LEU 65 -3.651 6.673 2.736 625 HD21 LEU 65 HD21 LEU 65 -4.539 8.745 5.620 626 HD22 LEU 65 HD22 LEU 65 -3.450 10.081 5.247 627 HD23 LEU 65 HD23 LEU 65 -2.803 8.560 5.862 628 H TYR 66 HN TYR 66 -1.254 10.295 0.375 629 HA TYR 66 HA TYR 66 1.462 9.992 0.327 630 HB2 TYR 66 HB2 TYR 66 0.266 9.969 -1.723 631 HB3 TYR 66 HB1 TYR 66 -0.342 11.597 -1.481 632 HD1 TYR 66 HD1 TYR 66 2.760 9.667 -2.163 633 HD2 TYR 66 HD2 TYR 66 0.820 13.447 -2.354 634 HE1 TYR 66 HE1 TYR 66 4.617 10.544 -3.510 635 HE2 TYR 66 HE2 TYR 66 2.675 14.334 -3.700 636 HH TYR 66 HH TYR 66 5.065 13.848 -4.086 637 H ALA 67 HN ALA 67 -0.293 12.984 0.908 638 HA ALA 67 HA ALA 67 1.962 14.698 0.690 639 HB1 ALA 67 HB1 ALA 67 -0.333 15.470 0.345 640 HB2 ALA 67 HB2 ALA 67 0.495 16.417 1.579 641 HB3 ALA 67 HB3 ALA 67 -0.680 15.190 2.050 642 H SER 68 HN SER 68 0.918 12.606 3.170 643 HA SER 68 HA SER 68 2.505 14.067 5.176 644 HB2 SER 68 HB2 SER 68 0.430 11.903 5.608 645 HB3 SER 68 HB1 SER 68 1.244 12.838 6.863 646 HG SER 68 HG SER 68 -0.215 14.312 6.603 647 H MET 69 HN MET 69 2.397 11.291 3.218 648 HA MET 69 HA MET 69 3.807 9.432 4.797 649 HB2 MET 69 HB2 MET 69 3.508 9.726 1.811 650 HB3 MET 69 HB1 MET 69 4.309 8.360 2.571 651 HG2 MET 69 HG2 MET 69 2.270 7.723 3.678 652 HG3 MET 69 HG1 MET 69 1.454 9.160 3.063 653 HE1 MET 69 HE1 MET 69 3.121 5.734 2.126 654 HE2 MET 69 HE2 MET 69 4.013 6.884 1.129 655 HE3 MET 69 HE3 MET 69 2.930 5.717 0.374 656 HA PRO 70 HA PRO 70 7.970 10.982 4.503 657 HB2 PRO 70 HB2 PRO 70 9.301 8.699 5.083 658 HB3 PRO 70 HB1 PRO 70 8.429 9.625 6.309 659 HG2 PRO 70 HG2 PRO 70 7.568 7.169 4.825 660 HG3 PRO 70 HG1 PRO 70 7.399 7.550 6.551 661 HD2 PRO 70 HD2 PRO 70 5.361 7.832 4.791 662 HD3 PRO 70 HD1 PRO 70 5.555 8.884 6.208 663 H ASP 71 HN ASP 71 10.099 10.293 3.387 664 HA ASP 71 HA ASP 71 9.630 10.129 0.633 665 HB2 ASP 71 HB2 ASP 71 11.682 11.091 1.632 666 HB3 ASP 71 HB1 ASP 71 12.195 9.470 2.091 667 H LYS 72 HN LYS 72 10.879 7.663 2.862 668 HA LYS 72 HA LYS 72 10.149 5.655 0.853 669 HB2 LYS 72 HB2 LYS 72 12.423 5.538 2.836 670 HB3 LYS 72 HB1 LYS 72 11.965 4.243 1.740 671 HG2 LYS 72 HG2 LYS 72 12.379 5.877 -0.147 672 HG3 LYS 72 HG1 LYS 72 13.121 6.926 1.057 673 HD2 LYS 72 HD2 LYS 72 14.748 5.217 1.597 674 HD3 LYS 72 HD1 LYS 72 13.973 4.090 0.483 675 HE2 LYS 72 HE2 LYS 72 14.541 5.497 -1.397 676 HE3 LYS 72 HE1 LYS 72 15.202 6.724 -0.319 677 HZ1 LYS 72 HZ1 LYS 72 16.269 3.972 -0.627 678 HZ2 LYS 72 HZ2 LYS 72 16.920 5.185 0.353 679 HZ3 LYS 72 HZ3 LYS 72 16.932 5.357 -1.328 680 H ILE 73 HN ILE 73 9.666 3.515 1.763 681 HA ILE 73 HA ILE 73 8.075 3.828 4.221 682 HB ILE 73 HB ILE 73 7.301 2.458 1.641 683 HG12 ILE 73 HG12 ILE 73 7.129 4.915 1.589 684 HG13 ILE 73 HG11 ILE 73 5.548 4.146 1.499 685 HG21 ILE 73 HG21 ILE 73 5.158 1.978 2.707 686 HG22 ILE 73 HG22 ILE 73 5.744 2.677 4.216 687 HG23 ILE 73 HG23 ILE 73 6.487 1.209 3.577 688 HD11 ILE 73 HD11 ILE 73 5.190 4.626 3.869 689 HD12 ILE 73 HD12 ILE 73 5.496 6.093 2.938 690 HD13 ILE 73 HD13 ILE 73 6.770 5.404 3.943 691 H ASN 74 HN ASN 74 8.869 2.498 5.722 692 HA ASN 74 HA ASN 74 10.188 0.010 5.073 693 HB2 ASN 74 HB2 ASN 74 10.938 1.355 6.993 694 HB3 ASN 74 HB1 ASN 74 9.351 1.208 7.736 695 HD21 ASN 74 HD21 ASN 74 12.351 -0.367 7.044 696 HD22 ASN 74 HD22 ASN 74 12.099 -1.747 8.058 697 H SER 75 HN SER 75 9.377 -2.086 6.136 698 HA SER 75 HA SER 75 6.822 -2.722 5.253 699 HB2 SER 75 HB2 SER 75 8.451 -4.072 7.416 700 HB3 SER 75 HB1 SER 75 7.056 -4.783 6.603 701 HG SER 75 HG SER 75 8.778 -3.868 4.764 702 H GLU 76 HN GLU 76 7.891 -1.737 8.483 703 HA GLU 76 HA GLU 76 5.396 -2.002 9.776 704 HB2 GLU 76 HB2 GLU 76 7.475 -1.774 11.014 705 HB3 GLU 76 HB1 GLU 76 7.733 -0.173 10.337 706 HG2 GLU 76 HG2 GLU 76 5.708 0.612 11.491 707 HG3 GLU 76 HG1 GLU 76 5.530 -0.986 12.216 708 H THR 77 HN THR 77 6.952 0.684 8.111 709 HA THR 77 HA THR 77 5.004 2.651 8.602 710 HB THR 77 HB THR 77 6.646 2.566 6.084 711 HG1 THR 77 HG1 THR 77 7.596 3.093 8.726 712 HG21 THR 77 HG21 THR 77 6.873 4.957 6.509 713 HG22 THR 77 HG22 THR 77 5.997 4.784 8.028 714 HG23 THR 77 HG23 THR 77 5.172 4.497 6.498 715 H ALA 78 HN ALA 78 5.430 0.221 6.125 716 HA ALA 78 HA ALA 78 3.386 0.924 4.357 717 HB1 ALA 78 HB1 ALA 78 3.502 -1.409 3.618 718 HB2 ALA 78 HB2 ALA 78 4.446 -1.811 5.052 719 HB3 ALA 78 HB3 ALA 78 5.109 -0.718 3.839 720 H GLY 79 HN GLY 79 3.343 -0.947 7.342 721 HA2 GLY 79 HA2 GLY 79 0.599 -1.703 7.156 722 HA3 GLY 79 HA1 GLY 79 1.585 -1.721 8.613 723 H THR 80 HN THR 80 2.328 0.952 8.704 724 HA THR 80 HA THR 80 0.254 2.134 10.116 725 HB THR 80 HB THR 80 2.490 3.578 8.680 726 HG1 THR 80 HG1 THR 80 2.476 1.872 10.853 727 HG21 THR 80 HG21 THR 80 2.260 5.224 10.488 728 HG22 THR 80 HG22 THR 80 0.892 4.318 11.133 729 HG23 THR 80 HG23 THR 80 0.775 5.080 9.548 730 H TRP 81 HN TRP 81 1.329 2.881 6.793 731 HA TRP 81 HA TRP 81 -0.892 4.686 6.426 732 HB2 TRP 81 HB2 TRP 81 1.240 3.754 4.495 733 HB3 TRP 81 HB1 TRP 81 0.050 5.011 4.157 734 HD1 TRP 81 HD1 TRP 81 3.402 4.485 5.716 735 HE1 TRP 81 HE1 TRP 81 4.239 6.674 6.784 736 HE3 TRP 81 HE3 TRP 81 -0.908 7.206 5.458 737 HZ2 TRP 81 HZ2 TRP 81 3.210 9.223 7.415 738 HZ3 TRP 81 HZ3 TRP 81 -0.902 9.511 6.309 739 HH2 TRP 81 HH2 TRP 81 1.115 10.499 7.272 740 H GLY 82 HN GLY 82 -0.099 1.394 5.604 741 HA2 GLY 82 HA2 GLY 82 -1.977 0.928 3.582 742 HA3 GLY 82 HA1 GLY 82 -1.370 -0.287 4.700 743 H ARG 83 HN ARG 83 -2.321 0.548 7.110 744 HA ARG 83 HA ARG 83 -5.052 -0.216 6.974 745 HB2 ARG 83 HB2 ARG 83 -5.095 0.140 9.391 746 HB3 ARG 83 HB1 ARG 83 -3.664 -0.761 8.911 747 HG2 ARG 83 HG2 ARG 83 -2.291 1.202 9.153 748 HG3 ARG 83 HG1 ARG 83 -3.713 2.192 9.494 749 HD2 ARG 83 HD2 ARG 83 -2.715 -0.110 11.163 750 HD3 ARG 83 HD1 ARG 83 -2.522 1.601 11.545 751 HE ARG 83 HE ARG 83 -5.035 1.659 11.577 752 HH11 ARG 83 HH11 ARG 83 -3.261 -1.273 12.315 753 HH12 ARG 83 HH12 ARG 83 -4.532 -1.938 13.286 754 HH21 ARG 83 HH21 ARG 83 -6.689 0.795 12.850 755 HH22 ARG 83 HH22 ARG 83 -6.489 -0.758 13.599 756 H SER 84 HN SER 84 -3.413 2.865 7.152 757 HA SER 84 HA SER 84 -5.648 4.457 7.824 758 HB2 SER 84 HB2 SER 84 -3.168 5.197 6.248 759 HB3 SER 84 HB1 SER 84 -4.304 6.338 6.967 760 HG SER 84 HG SER 84 -2.482 4.594 8.241 761 H LEU 85 HN LEU 85 -4.342 3.287 4.770 762 HA LEU 85 HA LEU 85 -6.233 4.581 3.093 763 HB2 LEU 85 HB2 LEU 85 -4.672 2.024 2.702 764 HB3 LEU 85 HB1 LEU 85 -5.593 2.827 1.445 765 HG LEU 85 HG LEU 85 -3.409 4.309 2.864 766 HD11 LEU 85 HD11 LEU 85 -1.821 3.523 1.210 767 HD12 LEU 85 HD12 LEU 85 -3.044 2.454 0.520 768 HD13 LEU 85 HD13 LEU 85 -2.447 2.173 2.154 769 HD21 LEU 85 HD21 LEU 85 -3.271 5.467 0.704 770 HD22 LEU 85 HD22 LEU 85 -4.899 5.553 1.377 771 HD23 LEU 85 HD23 LEU 85 -4.546 4.426 0.067 772 H GLY 86 HN GLY 86 -6.085 1.404 4.635 773 HA2 GLY 86 HA2 GLY 86 -8.367 0.252 3.548 774 HA3 GLY 86 HA1 GLY 86 -7.700 -0.145 5.121 775 H GLU 87 HN GLU 87 -8.106 2.162 6.545 776 HA GLU 87 HA GLU 87 -10.862 1.957 7.166 777 HB2 GLU 87 HB2 GLU 87 -10.442 3.794 8.762 778 HB3 GLU 87 HB1 GLU 87 -9.254 2.507 8.893 779 HG2 GLU 87 HG2 GLU 87 -7.639 3.830 7.670 780 HG3 GLU 87 HG1 GLU 87 -8.834 5.102 7.429 781 H CYS 88 HN CYS 88 -8.981 4.333 5.369 782 HA CYS 88 HA CYS 88 -11.027 6.257 5.085 783 HB2 CYS 88 HB2 CYS 88 -8.711 6.848 4.721 784 HB3 CYS 88 HB1 CYS 88 -8.580 5.685 3.404 785 H ILE 89 HN ILE 89 -9.867 3.722 2.888 786 HA ILE 89 HA ILE 89 -11.726 4.157 0.810 787 HB ILE 89 HB ILE 89 -10.268 1.636 1.629 788 HG12 ILE 89 HG12 ILE 89 -9.659 3.636 -0.559 789 HG13 ILE 89 HG11 ILE 89 -8.860 3.610 1.010 790 HG21 ILE 89 HG21 ILE 89 -12.175 1.037 0.305 791 HG22 ILE 89 HG22 ILE 89 -10.726 0.896 -0.693 792 HG23 ILE 89 HG23 ILE 89 -11.798 2.283 -0.880 793 HD11 ILE 89 HD11 ILE 89 -8.797 1.404 -1.035 794 HD12 ILE 89 HD12 ILE 89 -7.981 1.394 0.528 795 HD13 ILE 89 HD13 ILE 89 -7.506 2.560 -0.708 796 H GLY 90 HN GLY 90 -11.838 2.089 3.699 797 HA2 GLY 90 HA2 GLY 90 -14.199 0.698 3.101 798 HA3 GLY 90 HA1 GLY 90 -13.589 1.007 4.716 799 H LYS 91 HN LYS 91 -13.711 3.938 4.246 800 HA LYS 91 HA LYS 91 -16.480 4.324 4.997 801 HB2 LYS 91 HB2 LYS 91 -14.270 6.343 4.602 802 HB3 LYS 91 HB1 LYS 91 -15.831 6.657 5.342 803 HG2 LYS 91 HG2 LYS 91 -15.293 5.187 7.181 804 HG3 LYS 91 HG1 LYS 91 -13.755 4.768 6.420 805 HD2 LYS 91 HD2 LYS 91 -13.188 7.220 6.492 806 HD3 LYS 91 HD1 LYS 91 -14.613 7.437 7.509 807 HE2 LYS 91 HE2 LYS 91 -13.691 5.856 9.128 808 HE3 LYS 91 HE1 LYS 91 -12.269 5.643 8.110 809 HZ1 LYS 91 HZ1 LYS 91 -11.827 7.194 9.892 810 HZ2 LYS 91 HZ2 LYS 91 -13.112 8.175 9.409 811 HZ3 LYS 91 HZ3 LYS 91 -11.766 7.996 8.406 812 H ASP 92 HN ASP 92 -14.321 5.121 2.357 813 HA ASP 92 HA ASP 92 -16.139 6.841 0.996 814 HB2 ASP 92 HB2 ASP 92 -13.658 6.940 0.777 815 HB3 ASP 92 HB1 ASP 92 -13.711 5.414 -0.100 816 H PHE 93 HN PHE 93 -15.140 3.484 0.579 817 HA PHE 93 HA PHE 93 -16.706 2.963 -1.719 818 HB2 PHE 93 HB2 PHE 93 -14.831 1.542 -1.118 819 HB3 PHE 93 HB1 PHE 93 -15.600 1.109 0.402 820 HD1 PHE 93 HD1 PHE 93 -15.874 0.787 -3.269 821 HD2 PHE 93 HD2 PHE 93 -17.108 -0.678 0.531 822 HE1 PHE 93 HE1 PHE 93 -16.916 -1.156 -4.358 823 HE2 PHE 93 HE2 PHE 93 -18.157 -2.622 -0.552 824 HZ PHE 93 HZ PHE 93 -18.053 -2.862 -3.001 825 H ALA 94 HN ALA 94 -17.351 2.776 1.729 826 HA ALA 94 HA ALA 94 -19.747 1.307 1.591 827 HB1 ALA 94 HB1 ALA 94 -20.202 2.156 3.831 828 HB2 ALA 94 HB2 ALA 94 -18.905 3.338 3.653 829 HB3 ALA 94 HB3 ALA 94 -18.530 1.615 3.680 830 H GLU 95 HN GLU 95 -19.286 4.836 1.978 831 HA GLU 95 HA GLU 95 -22.055 5.355 1.731 832 HB2 GLU 95 HB2 GLU 95 -19.699 7.217 1.495 833 HB3 GLU 95 HB1 GLU 95 -21.380 7.732 1.586 834 HG2 GLU 95 HG2 GLU 95 -21.525 6.511 3.770 835 HG3 GLU 95 HG1 GLU 95 -19.779 6.308 3.685 836 H LYS 96 HN LYS 96 -19.647 4.775 -0.628 837 HA LYS 96 HA LYS 96 -20.967 6.297 -2.685 838 HB2 LYS 96 HB2 LYS 96 -19.211 5.783 -4.075 839 HB3 LYS 96 HB1 LYS 96 -18.438 5.674 -2.510 840 HG2 LYS 96 HG2 LYS 96 -18.550 3.276 -2.562 841 HG3 LYS 96 HG1 LYS 96 -19.448 3.327 -4.078 842 HD2 LYS 96 HD2 LYS 96 -16.614 4.259 -3.637 843 HD3 LYS 96 HD1 LYS 96 -17.120 2.809 -4.507 844 HE2 LYS 96 HE2 LYS 96 -18.394 4.336 -6.064 845 HE3 LYS 96 HE1 LYS 96 -17.569 5.683 -5.282 846 HZ1 LYS 96 HZ1 LYS 96 -16.259 3.437 -6.713 847 HZ2 LYS 96 HZ2 LYS 96 -15.453 4.706 -5.934 848 HZ3 LYS 96 HZ3 LYS 96 -16.423 5.020 -7.285 849 H HIS 97 HN HIS 97 -20.536 2.832 -1.978 850 HA HIS 97 HA HIS 97 -22.619 2.338 -3.988 851 HB2 HIS 97 HB2 HIS 97 -20.174 1.386 -4.185 852 HB3 HIS 97 HB1 HIS 97 -20.820 0.146 -3.118 853 HD1 HIS 97 HD1 HIS 97 -20.913 -1.750 -4.813 854 HD2 HIS 97 HD2 HIS 97 -22.924 1.664 -6.069 855 HE1 HIS 97 HE1 HIS 97 -22.178 -2.428 -6.871 856 HE2 HIS 97 HE2 HIS 97 -23.544 -0.408 -7.487 857 H LEU 98 HN LEU 98 -21.525 1.328 -0.757 858 HA LEU 98 HA LEU 98 -23.627 -0.564 -0.401 859 HB2 LEU 98 HB2 LEU 98 -21.958 0.865 1.657 860 HB3 LEU 98 HB1 LEU 98 -23.063 -0.452 2.000 861 HG LEU 98 HG LEU 98 -20.529 -0.606 0.363 862 HD11 LEU 98 HD11 LEU 98 -20.148 -0.482 2.752 863 HD12 LEU 98 HD12 LEU 98 -19.806 -2.110 2.162 864 HD13 LEU 98 HD13 LEU 98 -21.310 -1.780 3.024 865 HD21 LEU 98 HD21 LEU 98 -20.962 -2.985 0.177 866 HD22 LEU 98 HD22 LEU 98 -22.275 -2.067 -0.562 867 HD23 LEU 98 HD23 LEU 98 -22.496 -2.794 1.029 868 H ILE 99 HN ILE 99 -23.231 2.830 0.290 869 HA ILE 99 HA ILE 99 -25.909 3.000 1.400 870 HB ILE 99 HB ILE 99 -23.901 5.172 0.789 871 HG12 ILE 99 HG12 ILE 99 -23.126 3.704 2.565 872 HG13 ILE 99 HG11 ILE 99 -23.623 5.246 3.246 873 HG21 ILE 99 HG21 ILE 99 -26.558 5.279 2.201 874 HG22 ILE 99 HG22 ILE 99 -26.091 6.119 0.722 875 HG23 ILE 99 HG23 ILE 99 -25.353 6.564 2.258 876 HD11 ILE 99 HD11 ILE 99 -24.352 3.446 4.661 877 HD12 ILE 99 HD12 ILE 99 -25.189 2.683 3.309 878 HD13 ILE 99 HD13 ILE 99 -25.751 4.234 3.933 879 HA PRO 100 HA PRO 100 -27.312 3.457 -2.853 880 HB2 PRO 100 HB2 PRO 100 -29.927 3.043 -2.300 881 HB3 PRO 100 HB1 PRO 100 -28.760 1.724 -2.435 882 HG2 PRO 100 HG2 PRO 100 -29.911 3.002 0.002 883 HG3 PRO 100 HG1 PRO 100 -29.524 1.299 -0.297 884 HD2 PRO 100 HD2 PRO 100 -27.951 3.015 1.160 885 HD3 PRO 100 HD1 PRO 100 -27.340 1.563 0.339 886 H LYS 101 HN LYS 101 -27.390 5.470 -0.367 887 HA LYS 101 HA LYS 101 -29.376 7.325 -1.421 888 HB2 LYS 101 HB2 LYS 101 -27.709 7.555 1.090 889 HB3 LYS 101 HB1 LYS 101 -29.107 8.529 0.658 890 HG2 LYS 101 HG2 LYS 101 -30.519 6.523 0.777 891 HG3 LYS 101 HG1 LYS 101 -29.110 5.581 1.269 892 HD2 LYS 101 HD2 LYS 101 -28.883 6.910 3.276 893 HD3 LYS 101 HD1 LYS 101 -30.206 7.959 2.768 894 HE2 LYS 101 HE2 LYS 101 -30.424 5.011 3.364 895 HE3 LYS 101 HE1 LYS 101 -30.931 6.315 4.437 896 HZ1 LYS 101 HZ1 LYS 101 -32.803 5.415 3.231 897 HZ2 LYS 101 HZ2 LYS 101 -32.056 5.734 1.748 898 HZ3 LYS 101 HZ3 LYS 101 -32.525 7.011 2.750 Start of MODEL 9 1 H1 MET -14 HT1 MET -14 38.689 30.428 8.388 2 H2 MET -14 HT2 MET -14 39.905 30.841 9.484 3 H3 MET -14 HT3 MET -14 38.308 31.306 9.782 4 HA MET -14 HA MET -14 39.325 28.528 9.711 5 HB2 MET -14 HB2 MET -14 39.014 28.473 12.081 6 HB3 MET -14 HB1 MET -14 39.965 29.904 11.723 7 HG2 MET -14 HG2 MET -14 37.008 29.869 12.277 8 HG3 MET -14 HG1 MET -14 38.261 30.308 13.431 9 HE1 MET -14 HE1 MET -14 37.115 32.629 13.960 10 HE2 MET -14 HE2 MET -14 35.801 32.160 12.881 11 HE3 MET -14 HE3 MET -14 36.558 33.743 12.710 12 H ALA -13 HN ALA -13 37.746 26.939 10.266 13 HA ALA -13 HA ALA -13 35.144 27.550 9.169 14 HB1 ALA -13 HB1 ALA -13 36.259 25.476 8.549 15 HB2 ALA -13 HB2 ALA -13 34.741 25.140 9.385 16 HB3 ALA -13 HB3 ALA -13 36.275 24.965 10.237 17 H HIS -12 HN HIS -12 33.912 28.705 10.547 18 HA HIS -12 HA HIS -12 33.781 28.061 13.364 19 HB2 HIS -12 HB2 HIS -12 33.629 30.402 12.579 20 HB3 HIS -12 HB1 HIS -12 32.145 30.012 11.720 21 HD1 HIS -12 HD1 HIS -12 29.993 30.032 13.046 22 HD2 HIS -12 HD2 HIS -12 33.372 30.424 15.432 23 HE1 HIS -12 HE1 HIS -12 29.140 30.641 15.329 24 HE2 HIS -12 HE2 HIS -12 31.189 30.705 16.791 25 H HIS -11 HN HIS -11 32.655 26.340 14.004 26 HA HIS -11 HA HIS -11 30.433 25.388 12.355 27 HB2 HIS -11 HB2 HIS -11 32.035 24.103 14.557 28 HB3 HIS -11 HB1 HIS -11 30.567 23.381 13.925 29 HD1 HIS -11 HD1 HIS -11 30.829 21.899 11.957 30 HD2 HIS -11 HD2 HIS -11 34.124 24.371 12.516 31 HE1 HIS -11 HE1 HIS -11 32.547 21.121 10.294 32 HE2 HIS -11 HE2 HIS -11 34.593 22.503 10.789 33 H HIS -10 HN HIS -10 28.667 26.580 12.887 34 HA HIS -10 HA HIS -10 27.865 26.567 15.722 35 HB2 HIS -10 HB2 HIS -10 28.107 28.819 14.670 36 HB3 HIS -10 HB1 HIS -10 26.853 28.378 13.517 37 HD1 HIS -10 HD1 HIS -10 24.779 29.576 14.138 38 HD2 HIS -10 HD2 HIS -10 26.831 28.216 17.487 39 HE1 HIS -10 HE1 HIS -10 23.358 30.211 16.108 40 HE2 HIS -10 HE2 HIS -10 24.722 29.569 18.123 41 H HIS -9 HN HIS -9 27.188 25.384 12.597 42 HA HIS -9 HA HIS -9 24.425 24.698 13.238 43 HB2 HIS -9 HB2 HIS -9 26.090 24.521 10.746 44 HB3 HIS -9 HB1 HIS -9 24.599 23.599 10.886 45 HD1 HIS -9 HD1 HIS -9 22.578 24.766 10.089 46 HD2 HIS -9 HD2 HIS -9 25.566 27.436 11.184 47 HE1 HIS -9 HE1 HIS -9 21.693 27.042 9.504 48 HE2 HIS -9 HE2 HIS -9 23.583 28.624 10.027 49 H HIS -8 HN HIS -8 24.488 23.131 14.766 50 HA HIS -8 HA HIS -8 25.946 20.666 14.076 51 HB2 HIS -8 HB2 HIS -8 25.891 20.118 16.496 52 HB3 HIS -8 HB1 HIS -8 26.787 21.589 16.151 53 HD1 HIS -8 HD1 HIS -8 23.794 20.308 17.937 54 HD2 HIS -8 HD2 HIS -8 25.588 23.964 17.105 55 HE1 HIS -8 HE1 HIS -8 22.692 21.969 19.471 56 HE2 HIS -8 HE2 HIS -8 23.737 24.187 18.897 57 H HIS -7 HN HIS -7 23.336 21.506 13.137 58 HA HIS -7 HA HIS -7 21.407 19.828 14.487 59 HB2 HIS -7 HB2 HIS -7 20.837 22.017 13.345 60 HB3 HIS -7 HB1 HIS -7 21.133 21.212 11.810 61 HD1 HIS -7 HD1 HIS -7 19.284 19.756 10.870 62 HD2 HIS -7 HD2 HIS -7 18.528 21.088 14.743 63 HE1 HIS -7 HE1 HIS -7 16.872 19.200 11.327 64 HE2 HIS -7 HE2 HIS -7 16.404 20.134 13.616 65 H VAL -6 HN VAL -6 21.882 17.711 14.305 66 HA VAL -6 HA VAL -6 23.047 16.691 11.861 67 HB VAL -6 HB VAL -6 23.092 14.498 13.154 68 HG11 VAL -6 HG11 VAL -6 24.530 16.914 14.254 69 HG12 VAL -6 HG12 VAL -6 25.051 15.910 12.901 70 HG13 VAL -6 HG13 VAL -6 25.001 15.237 14.531 71 HG21 VAL -6 HG21 VAL -6 21.325 15.088 14.774 72 HG22 VAL -6 HG22 VAL -6 22.380 16.329 15.450 73 HG23 VAL -6 HG23 VAL -6 22.832 14.628 15.565 74 H ASP -5 HN ASP -5 20.954 17.318 10.761 75 HA ASP -5 HA ASP -5 18.874 15.286 10.982 76 HB2 ASP -5 HB2 ASP -5 17.732 16.611 9.200 77 HB3 ASP -5 HB1 ASP -5 18.089 17.544 10.648 78 H ASP -4 HN ASP -4 21.799 15.302 9.721 79 HA ASP -4 HA ASP -4 21.235 14.129 7.142 80 HB2 ASP -4 HB2 ASP -4 23.728 13.786 7.082 81 HB3 ASP -4 HB1 ASP -4 23.223 15.459 7.275 82 H ASP -3 HN ASP -3 20.040 12.294 7.553 83 HA ASP -3 HA ASP -3 21.211 10.274 9.328 84 HB2 ASP -3 HB2 ASP -3 19.064 9.192 9.328 85 HB3 ASP -3 HB1 ASP -3 18.797 10.910 9.596 86 H ASP -2 HN ASP -2 20.882 11.036 6.024 87 HA ASP -2 HA ASP -2 20.898 8.342 5.029 88 HB2 ASP -2 HB2 ASP -2 21.532 10.930 3.590 89 HB3 ASP -2 HB1 ASP -2 21.289 9.369 2.821 90 H LYS -1 HN LYS -1 22.598 7.131 5.548 91 HA LYS -1 HA LYS -1 25.274 8.194 4.940 92 HB2 LYS -1 HB2 LYS -1 24.548 6.439 7.295 93 HB3 LYS -1 HB1 LYS -1 26.170 6.968 6.876 94 HG2 LYS -1 HG2 LYS -1 23.895 8.775 7.676 95 HG3 LYS -1 HG1 LYS -1 25.218 8.260 8.723 96 HD2 LYS -1 HD2 LYS -1 26.825 9.380 7.273 97 HD3 LYS -1 HD1 LYS -1 25.527 9.849 6.175 98 HE2 LYS -1 HE2 LYS -1 24.498 11.173 7.952 99 HE3 LYS -1 HE1 LYS -1 25.784 10.694 9.057 100 HZ1 LYS -1 HZ1 LYS -1 26.090 12.923 8.067 101 HZ2 LYS -1 HZ2 LYS -1 26.235 12.200 6.538 102 HZ3 LYS -1 HZ3 LYS -1 27.374 11.866 7.739 103 H MET 0 HN MET 0 23.468 6.585 3.341 104 HA MET 0 HA MET 0 25.093 4.143 3.097 105 HB2 MET 0 HB2 MET 0 22.102 4.389 2.715 106 HB3 MET 0 HB1 MET 0 23.045 2.966 2.300 107 HG2 MET 0 HG2 MET 0 23.661 2.672 4.631 108 HG3 MET 0 HG1 MET 0 22.764 4.126 5.061 109 HE1 MET 0 HE1 MET 0 21.744 1.293 2.475 110 HE2 MET 0 HE2 MET 0 20.827 0.221 3.533 111 HE3 MET 0 HE3 MET 0 22.558 0.438 3.786 112 H GLU 1 HN GLU 1 25.999 6.136 1.696 113 HA GLU 1 HA GLU 1 24.708 6.430 -0.864 114 HB2 GLU 1 HB2 GLU 1 26.210 8.146 0.361 115 HB3 GLU 1 HB1 GLU 1 27.556 7.202 -0.256 116 HG2 GLU 1 HG2 GLU 1 27.161 9.065 -1.707 117 HG3 GLU 1 HG1 GLU 1 26.721 7.579 -2.546 118 H ASP 2 HN ASP 2 27.211 4.488 0.562 119 HA ASP 2 HA ASP 2 27.515 3.043 -1.986 120 HB2 ASP 2 HB2 ASP 2 29.385 3.315 0.363 121 HB3 ASP 2 HB1 ASP 2 29.560 2.021 -0.817 122 H THR 3 HN THR 3 27.269 0.806 -1.985 123 HA THR 3 HA THR 3 26.347 -1.184 -1.388 124 HB THR 3 HB THR 3 26.971 -0.415 1.472 125 HG1 THR 3 HG1 THR 3 28.639 -0.894 -0.665 126 HG21 THR 3 HG21 THR 3 25.653 -2.462 1.214 127 HG22 THR 3 HG22 THR 3 27.286 -2.835 1.766 128 HG23 THR 3 HG23 THR 3 26.844 -3.095 0.079 129 H ALA 4 HN ALA 4 24.418 0.214 -2.074 130 HA ALA 4 HA ALA 4 22.543 0.581 0.162 131 HB1 ALA 4 HB1 ALA 4 21.393 2.221 -1.211 132 HB2 ALA 4 HB2 ALA 4 22.509 1.914 -2.541 133 HB3 ALA 4 HB3 ALA 4 23.098 2.644 -1.047 134 H ASN 5 HN ASN 5 21.309 -1.153 0.319 135 HA ASN 5 HA ASN 5 20.195 -2.353 -2.114 136 HB2 ASN 5 HB2 ASN 5 19.527 -4.235 -0.660 137 HB3 ASN 5 HB1 ASN 5 21.258 -3.948 -0.600 138 HD21 ASN 5 HD21 ASN 5 19.356 -5.235 1.282 139 HD22 ASN 5 HD22 ASN 5 19.619 -4.440 2.796 140 HA PRO 6 HA PRO 6 16.365 -0.308 -1.165 141 HB2 PRO 6 HB2 PRO 6 14.795 -1.518 -2.936 142 HB3 PRO 6 HB1 PRO 6 16.037 -0.369 -3.435 143 HG2 PRO 6 HG2 PRO 6 16.121 -3.366 -3.453 144 HG3 PRO 6 HG1 PRO 6 16.656 -2.228 -4.703 145 HD2 PRO 6 HD2 PRO 6 18.368 -3.402 -2.942 146 HD3 PRO 6 HD1 PRO 6 18.646 -1.794 -3.635 147 H ASN 7 HN ASN 7 16.743 -1.783 0.908 148 HA ASN 7 HA ASN 7 14.864 -3.945 1.185 149 HB2 ASN 7 HB2 ASN 7 16.830 -3.990 2.575 150 HB3 ASN 7 HB1 ASN 7 16.501 -2.372 3.189 151 HD21 ASN 7 HD21 ASN 7 15.037 -2.094 4.814 152 HD22 ASN 7 HD22 ASN 7 14.332 -3.408 5.691 153 H GLU 8 HN GLU 8 14.961 -0.519 1.810 154 HA GLU 8 HA GLU 8 12.224 -0.567 2.849 155 HB2 GLU 8 HB2 GLU 8 13.908 0.723 4.108 156 HB3 GLU 8 HB1 GLU 8 14.237 1.691 2.680 157 HG2 GLU 8 HG2 GLU 8 12.069 2.672 2.763 158 HG3 GLU 8 HG1 GLU 8 11.560 1.566 4.037 159 H MET 9 HN MET 9 10.539 0.291 1.698 160 HA MET 9 HA MET 9 11.132 0.711 -1.146 161 HB2 MET 9 HB2 MET 9 8.739 0.132 -1.500 162 HB3 MET 9 HB1 MET 9 9.646 -1.149 -0.713 163 HG2 MET 9 HG2 MET 9 8.733 -0.294 1.474 164 HG3 MET 9 HG1 MET 9 7.667 0.739 0.525 165 HE1 MET 9 HE1 MET 9 8.893 -2.994 -0.095 166 HE2 MET 9 HE2 MET 9 7.544 -3.868 0.631 167 HE3 MET 9 HE3 MET 9 8.581 -2.856 1.636 168 H THR 10 HN THR 10 10.490 2.528 -2.220 169 HA THR 10 HA THR 10 10.272 4.857 -0.633 170 HB THR 10 HB THR 10 9.929 6.001 -2.887 171 HG1 THR 10 HG1 THR 10 10.670 4.412 -4.616 172 HG21 THR 10 HG21 THR 10 12.330 4.225 -2.445 173 HG22 THR 10 HG22 THR 10 12.113 5.871 -1.856 174 HG23 THR 10 HG23 THR 10 12.269 5.569 -3.583 175 H LYS 11 HN LYS 11 8.589 6.490 -0.711 176 HA LYS 11 HA LYS 11 6.114 5.481 -0.002 177 HB2 LYS 11 HB2 LYS 11 5.277 7.788 -0.168 178 HB3 LYS 11 HB1 LYS 11 6.833 7.710 0.643 179 HG2 LYS 11 HG2 LYS 11 7.874 8.324 -1.572 180 HG3 LYS 11 HG1 LYS 11 6.242 8.669 -2.142 181 HD2 LYS 11 HD2 LYS 11 7.653 9.978 0.181 182 HD3 LYS 11 HD1 LYS 11 7.320 10.709 -1.388 183 HE2 LYS 11 HE2 LYS 11 4.899 10.465 -0.943 184 HE3 LYS 11 HE1 LYS 11 5.285 9.820 0.652 185 HZ1 LYS 11 HZ1 LYS 11 6.036 12.522 -0.319 186 HZ2 LYS 11 HZ2 LYS 11 6.337 11.903 1.223 187 HZ3 LYS 11 HZ3 LYS 11 4.745 12.188 0.722 188 H ASP 12 HN ASP 12 7.193 6.647 -3.160 189 HA ASP 12 HA ASP 12 4.616 6.505 -4.366 190 HB2 ASP 12 HB2 ASP 12 6.399 7.948 -5.263 191 HB3 ASP 12 HB1 ASP 12 7.344 6.520 -5.671 192 H ALA 13 HN ALA 13 7.422 4.349 -4.294 193 HA ALA 13 HA ALA 13 6.388 2.438 -6.103 194 HB1 ALA 13 HB1 ALA 13 8.133 0.968 -5.259 195 HB2 ALA 13 HB2 ALA 13 8.420 2.071 -3.912 196 HB3 ALA 13 HB3 ALA 13 8.764 2.588 -5.562 197 H TRP 14 HN TRP 14 6.340 2.704 -2.576 198 HA TRP 14 HA TRP 14 5.009 0.299 -2.046 199 HB2 TRP 14 HB2 TRP 14 6.029 1.619 -0.263 200 HB3 TRP 14 HB1 TRP 14 4.885 2.928 -0.546 201 HD1 TRP 14 HD1 TRP 14 5.016 -0.660 0.841 202 HE1 TRP 14 HE1 TRP 14 2.980 -1.006 2.376 203 HE3 TRP 14 HE3 TRP 14 2.586 3.749 -0.031 204 HZ2 TRP 14 HZ2 TRP 14 0.659 0.406 3.121 205 HZ3 TRP 14 HZ3 TRP 14 0.464 4.174 1.131 206 HH2 TRP 14 HH2 TRP 14 -0.477 2.534 2.676 207 H LEU 15 HN LEU 15 3.715 3.586 -2.479 208 HA LEU 15 HA LEU 15 1.003 3.020 -2.374 209 HB2 LEU 15 HB2 LEU 15 2.552 5.056 -3.958 210 HB3 LEU 15 HB1 LEU 15 0.802 4.995 -3.988 211 HG LEU 15 HG LEU 15 2.456 5.405 -1.498 212 HD11 LEU 15 HD11 LEU 15 2.729 7.299 -2.954 213 HD12 LEU 15 HD12 LEU 15 1.647 7.735 -1.630 214 HD13 LEU 15 HD13 LEU 15 0.990 7.386 -3.229 215 HD21 LEU 15 HD21 LEU 15 0.273 6.112 -0.545 216 HD22 LEU 15 HD22 LEU 15 0.329 4.407 -0.987 217 HD23 LEU 15 HD23 LEU 15 -0.510 5.558 -2.024 218 H ASN 16 HN ASN 16 3.210 2.889 -5.118 219 HA ASN 16 HA ASN 16 1.365 2.356 -7.150 220 HB2 ASN 16 HB2 ASN 16 3.696 3.015 -7.548 221 HB3 ASN 16 HB1 ASN 16 4.253 1.476 -6.900 222 HD21 ASN 16 HD21 ASN 16 5.240 0.741 -8.705 223 HD22 ASN 16 HD22 ASN 16 4.407 0.352 -10.171 224 H SER 17 HN SER 17 3.087 0.203 -4.967 225 HA SER 17 HA SER 17 2.068 -2.164 -6.269 226 HB2 SER 17 HB2 SER 17 3.748 -1.807 -3.782 227 HB3 SER 17 HB1 SER 17 3.406 -3.351 -4.564 228 HG SER 17 HG SER 17 4.586 -2.726 -6.322 229 H MET 18 HN MET 18 1.183 -0.174 -3.583 230 HA MET 18 HA MET 18 -0.212 -2.300 -2.192 231 HB2 MET 18 HB2 MET 18 0.984 -0.706 -0.842 232 HB3 MET 18 HB1 MET 18 0.135 0.636 -1.591 233 HG2 MET 18 HG2 MET 18 -0.996 0.498 0.373 234 HG3 MET 18 HG1 MET 18 -1.980 -0.571 -0.621 235 HE1 MET 18 HE1 MET 18 -0.325 -3.392 -0.666 236 HE2 MET 18 HE2 MET 18 -2.052 -3.106 -0.467 237 HE3 MET 18 HE3 MET 18 -1.182 -4.104 0.700 238 H THR 19 HN THR 19 -1.016 0.552 -4.090 239 HA THR 19 HA THR 19 -3.629 0.910 -3.299 240 HB THR 19 HB THR 19 -3.910 1.799 -5.760 241 HG1 THR 19 HG1 THR 19 -1.079 1.901 -5.517 242 HG21 THR 19 HG21 THR 19 -2.051 3.037 -3.726 243 HG22 THR 19 HG22 THR 19 -3.809 3.188 -3.755 244 HG23 THR 19 HG23 THR 19 -2.842 3.895 -5.050 245 HA PRO 20 HA PRO 20 -5.347 -1.876 -6.727 246 HB2 PRO 20 HB2 PRO 20 -3.801 -3.506 -8.170 247 HB3 PRO 20 HB1 PRO 20 -3.950 -1.785 -8.548 248 HG2 PRO 20 HG2 PRO 20 -1.759 -3.217 -7.094 249 HG3 PRO 20 HG1 PRO 20 -1.639 -1.951 -8.329 250 HD2 PRO 20 HD2 PRO 20 -1.434 -1.501 -5.631 251 HD3 PRO 20 HD1 PRO 20 -1.946 -0.278 -6.809 252 H LEU 21 HN LEU 21 -3.193 -2.954 -4.364 253 HA LEU 21 HA LEU 21 -4.233 -5.684 -4.364 254 HB2 LEU 21 HB2 LEU 21 -2.190 -4.334 -2.599 255 HB3 LEU 21 HB1 LEU 21 -2.689 -6.006 -2.434 256 HG LEU 21 HG LEU 21 -1.233 -4.791 -4.781 257 HD11 LEU 21 HD11 LEU 21 0.576 -6.276 -4.105 258 HD12 LEU 21 HD12 LEU 21 -0.385 -6.838 -2.738 259 HD13 LEU 21 HD13 LEU 21 0.154 -5.161 -2.806 260 HD21 LEU 21 HD21 LEU 21 -2.789 -6.460 -5.584 261 HD22 LEU 21 HD22 LEU 21 -2.237 -7.601 -4.359 262 HD23 LEU 21 HD23 LEU 21 -1.145 -7.095 -5.648 263 H LEU 22 HN LEU 22 -4.910 -2.659 -3.046 264 HA LEU 22 HA LEU 22 -5.924 -3.429 -0.514 265 HB2 LEU 22 HB2 LEU 22 -6.429 -0.993 -2.213 266 HB3 LEU 22 HB1 LEU 22 -7.065 -1.195 -0.593 267 HG LEU 22 HG LEU 22 -4.120 -1.221 -1.250 268 HD11 LEU 22 HD11 LEU 22 -5.818 1.026 -0.177 269 HD12 LEU 22 HD12 LEU 22 -5.082 0.956 -1.779 270 HD13 LEU 22 HD13 LEU 22 -4.062 1.040 -0.341 271 HD21 LEU 22 HD21 LEU 22 -4.691 -2.397 0.801 272 HD22 LEU 22 HD22 LEU 22 -5.617 -1.006 1.360 273 HD23 LEU 22 HD23 LEU 22 -3.869 -0.882 1.168 274 HA PRO 23 HA PRO 23 -10.255 -3.186 -3.073 275 HB2 PRO 23 HB2 PRO 23 -9.011 -4.746 -5.308 276 HB3 PRO 23 HB1 PRO 23 -10.385 -3.636 -5.345 277 HG2 PRO 23 HG2 PRO 23 -8.028 -2.815 -6.213 278 HG3 PRO 23 HG1 PRO 23 -9.038 -1.755 -5.222 279 HD2 PRO 23 HD2 PRO 23 -6.595 -3.257 -4.467 280 HD3 PRO 23 HD1 PRO 23 -7.180 -1.680 -3.907 281 H ASP 24 HN ASP 24 -7.829 -5.719 -3.244 282 HA ASP 24 HA ASP 24 -9.482 -7.961 -3.083 283 HB2 ASP 24 HB2 ASP 24 -7.131 -8.107 -3.679 284 HB3 ASP 24 HB1 ASP 24 -6.660 -7.542 -2.081 285 H LEU 25 HN LEU 25 -7.786 -6.223 -0.461 286 HA LEU 25 HA LEU 25 -8.970 -7.871 1.559 287 HB2 LEU 25 HB2 LEU 25 -7.413 -5.296 1.752 288 HB3 LEU 25 HB1 LEU 25 -7.978 -6.196 3.142 289 HG LEU 25 HG LEU 25 -5.785 -6.873 2.999 290 HD11 LEU 25 HD11 LEU 25 -7.268 -8.826 2.999 291 HD12 LEU 25 HD12 LEU 25 -5.723 -9.152 2.216 292 HD13 LEU 25 HD13 LEU 25 -7.168 -8.886 1.241 293 HD21 LEU 25 HD21 LEU 25 -6.039 -6.965 0.002 294 HD22 LEU 25 HD22 LEU 25 -4.588 -7.347 0.928 295 HD23 LEU 25 HD23 LEU 25 -5.237 -5.708 0.945 296 H ILE 26 HN ILE 26 -9.701 -4.757 0.136 297 HA ILE 26 HA ILE 26 -11.413 -3.760 2.113 298 HB ILE 26 HB ILE 26 -11.607 -3.309 -0.869 299 HG12 ILE 26 HG12 ILE 26 -9.419 -2.665 0.005 300 HG13 ILE 26 HG11 ILE 26 -10.355 -1.233 -0.410 301 HG21 ILE 26 HG21 ILE 26 -13.665 -2.696 0.248 302 HG22 ILE 26 HG22 ILE 26 -12.799 -1.244 -0.256 303 HG23 ILE 26 HG23 ILE 26 -12.770 -1.746 1.435 304 HD11 ILE 26 HD11 ILE 26 -10.899 -0.921 1.956 305 HD12 ILE 26 HD12 ILE 26 -9.162 -0.909 1.659 306 HD13 ILE 26 HD13 ILE 26 -9.926 -2.336 2.354 307 H CYS 27 HN CYS 27 -12.268 -5.565 -0.857 308 HA CYS 27 HA CYS 27 -15.025 -5.635 -0.333 309 HB2 CYS 27 HB2 CYS 27 -13.962 -6.170 -2.538 310 HB3 CYS 27 HB1 CYS 27 -13.459 -7.717 -1.865 311 H LYS 28 HN LYS 28 -12.432 -7.890 0.479 312 HA LYS 28 HA LYS 28 -14.001 -9.946 1.528 313 HB2 LYS 28 HB2 LYS 28 -11.208 -9.071 2.279 314 HB3 LYS 28 HB1 LYS 28 -11.950 -10.575 2.808 315 HG2 LYS 28 HG2 LYS 28 -12.085 -11.366 0.543 316 HG3 LYS 28 HG1 LYS 28 -11.503 -9.814 -0.067 317 HD2 LYS 28 HD2 LYS 28 -9.377 -10.157 1.092 318 HD3 LYS 28 HD1 LYS 28 -9.962 -11.707 1.701 319 HE2 LYS 28 HE2 LYS 28 -10.124 -12.573 -0.547 320 HE3 LYS 28 HE1 LYS 28 -9.682 -11.005 -1.215 321 HZ1 LYS 28 HZ1 LYS 28 -7.853 -12.684 -1.100 322 HZ2 LYS 28 HZ2 LYS 28 -7.899 -12.540 0.585 323 HZ3 LYS 28 HZ3 LYS 28 -7.505 -11.195 -0.372 324 H GLY 29 HN GLY 29 -12.846 -6.946 2.936 325 HA2 GLY 29 HA2 GLY 29 -13.386 -7.492 5.640 326 HA3 GLY 29 HA1 GLY 29 -13.312 -5.893 4.916 327 H PHE 30 HN PHE 30 -15.486 -6.436 3.033 328 HA PHE 30 HA PHE 30 -17.673 -5.858 4.838 329 HB2 PHE 30 HB2 PHE 30 -17.507 -5.929 1.821 330 HB3 PHE 30 HB1 PHE 30 -18.975 -5.530 2.709 331 HD1 PHE 30 HD1 PHE 30 -19.030 -3.492 4.129 332 HD2 PHE 30 HD2 PHE 30 -15.790 -4.340 1.509 333 HE1 PHE 30 HE1 PHE 30 -18.317 -1.143 4.259 334 HE2 PHE 30 HE2 PHE 30 -15.071 -1.992 1.633 335 HZ PHE 30 HZ PHE 30 -16.333 -0.390 3.010 336 H ILE 31 HN ILE 31 -16.375 -8.606 3.418 337 HA ILE 31 HA ILE 31 -18.915 -10.051 3.413 338 HB ILE 31 HB ILE 31 -16.161 -11.034 2.649 339 HG12 ILE 31 HG12 ILE 31 -18.444 -10.138 0.880 340 HG13 ILE 31 HG11 ILE 31 -16.991 -9.196 1.199 341 HG21 ILE 31 HG21 ILE 31 -18.891 -12.229 2.191 342 HG22 ILE 31 HG22 ILE 31 -17.668 -12.828 3.311 343 HG23 ILE 31 HG23 ILE 31 -17.371 -12.875 1.574 344 HD11 ILE 31 HD11 ILE 31 -17.119 -11.857 -0.201 345 HD12 ILE 31 HD12 ILE 31 -15.642 -10.964 0.161 346 HD13 ILE 31 HD13 ILE 31 -16.833 -10.283 -0.948 347 H GLN 32 HN GLN 32 -15.711 -10.139 4.897 348 HA GLN 32 HA GLN 32 -16.166 -12.388 6.539 349 HB2 GLN 32 HB2 GLN 32 -14.198 -10.115 6.788 350 HB3 GLN 32 HB1 GLN 32 -14.154 -11.568 7.776 351 HG2 GLN 32 HG2 GLN 32 -13.871 -12.907 5.728 352 HG3 GLN 32 HG1 GLN 32 -13.824 -11.418 4.789 353 HE21 GLN 32 HE21 GLN 32 -12.145 -13.412 7.094 354 HE22 GLN 32 HE22 GLN 32 -10.599 -12.651 6.929 355 H ASP 33 HN ASP 33 -16.544 -8.926 7.080 356 HA ASP 33 HA ASP 33 -17.134 -9.203 9.871 357 HB2 ASP 33 HB2 ASP 33 -16.179 -7.127 8.831 358 HB3 ASP 33 HB1 ASP 33 -17.741 -6.853 8.074 359 HA PRO 34 HA PRO 34 -21.284 -10.654 9.236 360 HB2 PRO 34 HB2 PRO 34 -21.697 -9.916 12.054 361 HB3 PRO 34 HB1 PRO 34 -21.822 -11.494 11.277 362 HG2 PRO 34 HG2 PRO 34 -19.792 -10.865 12.931 363 HG3 PRO 34 HG1 PRO 34 -19.588 -11.957 11.551 364 HD2 PRO 34 HD2 PRO 34 -18.778 -9.102 11.851 365 HD3 PRO 34 HD1 PRO 34 -17.958 -10.432 11.009 366 H ASP 35 HN ASP 35 -20.565 -7.595 10.819 367 HA ASP 35 HA ASP 35 -23.237 -6.580 10.647 368 HB2 ASP 35 HB2 ASP 35 -20.580 -5.223 11.119 369 HB3 ASP 35 HB1 ASP 35 -22.107 -4.353 11.087 370 H LEU 36 HN LEU 36 -20.351 -6.397 8.669 371 HA LEU 36 HA LEU 36 -21.493 -4.437 6.901 372 HB2 LEU 36 HB2 LEU 36 -18.957 -6.054 6.681 373 HB3 LEU 36 HB1 LEU 36 -19.422 -4.777 5.578 374 HG LEU 36 HG LEU 36 -18.762 -4.465 8.506 375 HD11 LEU 36 HD11 LEU 36 -16.815 -4.822 7.104 376 HD12 LEU 36 HD12 LEU 36 -16.875 -3.153 7.668 377 HD13 LEU 36 HD13 LEU 36 -17.344 -3.541 6.014 378 HD21 LEU 36 HD21 LEU 36 -20.524 -2.914 7.909 379 HD22 LEU 36 HD22 LEU 36 -19.628 -2.406 6.477 380 HD23 LEU 36 HD23 LEU 36 -18.999 -2.047 8.085 381 H LYS 37 HN LYS 37 -21.122 -7.912 6.964 382 HA LYS 37 HA LYS 37 -21.592 -8.426 4.250 383 HB2 LYS 37 HB2 LYS 37 -20.796 -10.132 5.856 384 HB3 LYS 37 HB1 LYS 37 -22.375 -10.132 6.626 385 HG2 LYS 37 HG2 LYS 37 -22.131 -12.040 5.148 386 HG3 LYS 37 HG1 LYS 37 -23.391 -10.954 4.564 387 HD2 LYS 37 HD2 LYS 37 -21.762 -9.980 2.974 388 HD3 LYS 37 HD1 LYS 37 -20.564 -11.155 3.518 389 HE2 LYS 37 HE2 LYS 37 -23.216 -11.793 2.232 390 HE3 LYS 37 HE1 LYS 37 -21.644 -11.863 1.441 391 HZ1 LYS 37 HZ1 LYS 37 -22.387 -14.046 2.157 392 HZ2 LYS 37 HZ2 LYS 37 -22.477 -13.519 3.758 393 HZ3 LYS 37 HZ3 LYS 37 -20.979 -13.598 2.977 394 H LYS 38 HN LYS 38 -23.695 -7.518 6.833 395 HA LYS 38 HA LYS 38 -26.195 -8.183 5.800 396 HB2 LYS 38 HB2 LYS 38 -25.476 -5.658 7.302 397 HB3 LYS 38 HB1 LYS 38 -27.068 -6.403 7.206 398 HG2 LYS 38 HG2 LYS 38 -24.626 -7.532 8.556 399 HG3 LYS 38 HG1 LYS 38 -26.052 -6.856 9.346 400 HD2 LYS 38 HD2 LYS 38 -27.434 -8.636 8.373 401 HD3 LYS 38 HD1 LYS 38 -26.002 -9.316 7.599 402 HE2 LYS 38 HE2 LYS 38 -24.994 -9.669 9.814 403 HE3 LYS 38 HE1 LYS 38 -26.451 -9.026 10.568 404 HZ1 LYS 38 HZ1 LYS 38 -26.423 -11.451 10.536 405 HZ2 LYS 38 HZ2 LYS 38 -26.335 -11.443 8.852 406 HZ3 LYS 38 HZ3 LYS 38 -27.715 -10.844 9.626 407 H ARG 39 HN ARG 39 -24.221 -5.280 5.312 408 HA ARG 39 HA ARG 39 -26.090 -4.015 3.557 409 HB2 ARG 39 HB2 ARG 39 -24.386 -2.806 4.949 410 HB3 ARG 39 HB1 ARG 39 -23.136 -3.451 3.895 411 HG2 ARG 39 HG2 ARG 39 -23.529 -1.281 3.129 412 HG3 ARG 39 HG1 ARG 39 -24.376 -2.328 1.987 413 HD2 ARG 39 HD2 ARG 39 -25.817 -0.496 2.507 414 HD3 ARG 39 HD1 ARG 39 -26.463 -1.932 3.301 415 HE ARG 39 HE ARG 39 -24.793 -0.658 5.125 416 HH11 ARG 39 HH11 ARG 39 -27.815 -0.056 3.468 417 HH12 ARG 39 HH12 ARG 39 -28.416 1.022 4.688 418 HH21 ARG 39 HH21 ARG 39 -25.570 0.762 6.729 419 HH22 ARG 39 HH22 ARG 39 -27.139 1.480 6.550 420 H PHE 40 HN PHE 40 -23.165 -5.905 3.211 421 HA PHE 40 HA PHE 40 -22.701 -5.683 0.477 422 HB2 PHE 40 HB2 PHE 40 -21.281 -6.773 2.295 423 HB3 PHE 40 HB1 PHE 40 -22.298 -8.192 2.099 424 HD1 PHE 40 HD1 PHE 40 -20.087 -5.897 0.193 425 HD2 PHE 40 HD2 PHE 40 -21.769 -9.792 0.516 426 HE1 PHE 40 HE1 PHE 40 -18.634 -6.671 -1.633 427 HE2 PHE 40 HE2 PHE 40 -20.319 -10.574 -1.311 428 HZ PHE 40 HZ PHE 40 -18.748 -9.014 -2.389 429 H ASP 41 HN ASP 41 -24.795 -7.884 2.272 430 HA ASP 41 HA ASP 41 -25.689 -9.341 -0.013 431 HB2 ASP 41 HB2 ASP 41 -25.819 -10.409 2.125 432 HB3 ASP 41 HB1 ASP 41 -26.763 -9.083 2.797 433 H GLU 42 HN GLU 42 -26.964 -6.616 1.837 434 HA GLU 42 HA GLU 42 -29.483 -6.399 0.672 435 HB2 GLU 42 HB2 GLU 42 -27.623 -4.381 1.891 436 HB3 GLU 42 HB1 GLU 42 -29.176 -3.902 1.228 437 HG2 GLU 42 HG2 GLU 42 -28.816 -5.976 3.372 438 HG3 GLU 42 HG1 GLU 42 -29.216 -4.283 3.666 439 H ILE 43 HN ILE 43 -26.365 -5.362 -0.511 440 HA ILE 43 HA ILE 43 -27.608 -3.833 -2.663 441 HB ILE 43 HB ILE 43 -24.662 -4.170 -2.077 442 HG12 ILE 43 HG12 ILE 43 -25.743 -3.224 -0.122 443 HG13 ILE 43 HG11 ILE 43 -24.838 -1.967 -0.953 444 HG21 ILE 43 HG21 ILE 43 -25.128 -3.364 -4.325 445 HG22 ILE 43 HG22 ILE 43 -24.420 -2.084 -3.340 446 HG23 ILE 43 HG23 ILE 43 -26.152 -2.088 -3.667 447 HD11 ILE 43 HD11 ILE 43 -26.933 -1.074 -0.228 448 HD12 ILE 43 HD12 ILE 43 -27.813 -2.391 -1.001 449 HD13 ILE 43 HD13 ILE 43 -26.960 -1.203 -1.988 450 H LYS 44 HN LYS 44 -26.762 -6.957 -2.113 451 HA LYS 44 HA LYS 44 -26.390 -8.810 -3.370 452 HB2 LYS 44 HB2 LYS 44 -27.522 -7.054 -5.555 453 HB3 LYS 44 HB1 LYS 44 -27.255 -8.781 -5.707 454 HG2 LYS 44 HG2 LYS 44 -29.115 -7.463 -3.741 455 HG3 LYS 44 HG1 LYS 44 -29.593 -8.237 -5.252 456 HD2 LYS 44 HD2 LYS 44 -28.270 -9.579 -2.896 457 HD3 LYS 44 HD1 LYS 44 -29.967 -9.718 -3.351 458 HE2 LYS 44 HE2 LYS 44 -27.600 -10.642 -4.977 459 HE3 LYS 44 HE1 LYS 44 -28.706 -11.673 -4.075 460 HZ1 LYS 44 HZ1 LYS 44 -29.251 -11.645 -6.417 461 HZ2 LYS 44 HZ2 LYS 44 -29.432 -9.966 -6.395 462 HZ3 LYS 44 HZ3 LYS 44 -30.504 -10.942 -5.523 463 H MET 45 HN MET 45 -24.145 -7.371 -2.913 464 HA MET 45 HA MET 45 -22.810 -6.926 -5.470 465 HB2 MET 45 HB2 MET 45 -22.682 -5.167 -3.772 466 HB3 MET 45 HB1 MET 45 -21.938 -6.294 -2.647 467 HG2 MET 45 HG2 MET 45 -19.988 -6.469 -4.037 468 HG3 MET 45 HG1 MET 45 -20.745 -5.478 -5.284 469 HE1 MET 45 HE1 MET 45 -22.194 -3.214 -3.549 470 HE2 MET 45 HE2 MET 45 -21.285 -2.946 -5.036 471 HE3 MET 45 HE3 MET 45 -20.933 -1.982 -3.602 472 H THR 46 HN THR 46 -20.857 -7.911 -6.018 473 HA THR 46 HA THR 46 -20.120 -10.267 -4.418 474 HB THR 46 HB THR 46 -19.329 -11.267 -6.594 475 HG1 THR 46 HG1 THR 46 -20.087 -10.345 -8.499 476 HG21 THR 46 HG21 THR 46 -22.276 -10.670 -6.330 477 HG22 THR 46 HG22 THR 46 -21.409 -12.003 -5.568 478 HG23 THR 46 HG23 THR 46 -21.582 -11.950 -7.322 479 H TYR 47 HN TYR 47 -17.806 -10.937 -4.727 480 HA TYR 47 HA TYR 47 -16.085 -8.898 -3.990 481 HB2 TYR 47 HB2 TYR 47 -15.541 -11.195 -3.508 482 HB3 TYR 47 HB1 TYR 47 -15.458 -11.587 -5.220 483 HD1 TYR 47 HD1 TYR 47 -13.717 -9.959 -2.413 484 HD2 TYR 47 HD2 TYR 47 -13.529 -11.008 -6.540 485 HE1 TYR 47 HE1 TYR 47 -11.309 -9.450 -2.436 486 HE2 TYR 47 HE2 TYR 47 -11.129 -10.504 -6.568 487 HH TYR 47 HH TYR 47 -9.291 -10.070 -3.775 488 H GLU 48 HN GLU 48 -16.461 -10.345 -7.216 489 HA GLU 48 HA GLU 48 -14.387 -8.941 -8.468 490 HB2 GLU 48 HB2 GLU 48 -16.936 -10.030 -9.668 491 HB3 GLU 48 HB1 GLU 48 -15.522 -9.527 -10.583 492 HG2 GLU 48 HG2 GLU 48 -14.195 -11.262 -9.534 493 HG3 GLU 48 HG1 GLU 48 -15.577 -11.749 -8.556 494 H GLN 49 HN GLN 49 -17.671 -8.024 -7.747 495 HA GLN 49 HA GLN 49 -17.766 -5.764 -9.482 496 HB2 GLN 49 HB2 GLN 49 -19.795 -6.873 -8.622 497 HB3 GLN 49 HB1 GLN 49 -19.373 -6.370 -6.991 498 HG2 GLN 49 HG2 GLN 49 -21.056 -4.903 -7.815 499 HG3 GLN 49 HG1 GLN 49 -19.537 -4.011 -7.735 500 HE21 GLN 49 HE21 GLN 49 -21.867 -5.516 -9.840 501 HE22 GLN 49 HE22 GLN 49 -21.378 -4.710 -11.288 502 H CYS 50 HN CYS 50 -16.939 -6.261 -6.086 503 HA CYS 50 HA CYS 50 -16.739 -3.596 -5.293 504 HB2 CYS 50 HB2 CYS 50 -14.910 -5.766 -4.300 505 HB3 CYS 50 HB1 CYS 50 -15.497 -4.360 -3.424 506 H VAL 51 HN VAL 51 -14.239 -5.756 -6.630 507 HA VAL 51 HA VAL 51 -12.120 -3.976 -6.081 508 HB VAL 51 HB VAL 51 -10.761 -5.415 -7.621 509 HG11 VAL 51 HG11 VAL 51 -12.343 -6.779 -5.446 510 HG12 VAL 51 HG12 VAL 51 -10.868 -5.828 -5.236 511 HG13 VAL 51 HG13 VAL 51 -10.817 -7.356 -6.119 512 HG21 VAL 51 HG21 VAL 51 -13.329 -6.989 -7.809 513 HG22 VAL 51 HG22 VAL 51 -11.749 -7.511 -8.396 514 HG23 VAL 51 HG23 VAL 51 -12.544 -6.118 -9.129 515 H THR 52 HN THR 52 -14.398 -3.871 -8.624 516 HA THR 52 HA THR 52 -12.567 -2.373 -10.329 517 HB THR 52 HB THR 52 -14.121 -3.935 -11.420 518 HG1 THR 52 HG1 THR 52 -15.083 -1.426 -12.227 519 HG21 THR 52 HG21 THR 52 -16.297 -2.107 -10.420 520 HG22 THR 52 HG22 THR 52 -16.016 -3.770 -9.902 521 HG23 THR 52 HG23 THR 52 -16.509 -3.433 -11.562 522 H LEU 53 HN LEU 53 -14.666 -1.814 -7.762 523 HA LEU 53 HA LEU 53 -15.249 0.943 -8.567 524 HB2 LEU 53 HB2 LEU 53 -16.243 -0.403 -6.080 525 HB3 LEU 53 HB1 LEU 53 -16.935 0.967 -6.928 526 HG LEU 53 HG LEU 53 -16.900 -1.873 -7.925 527 HD11 LEU 53 HD11 LEU 53 -19.359 -1.726 -7.596 528 HD12 LEU 53 HD12 LEU 53 -19.108 -0.198 -6.753 529 HD13 LEU 53 HD13 LEU 53 -18.432 -1.689 -6.098 530 HD21 LEU 53 HD21 LEU 53 -18.241 0.552 -9.091 531 HD22 LEU 53 HD22 LEU 53 -18.340 -1.100 -9.700 532 HD23 LEU 53 HD23 LEU 53 -16.802 -0.238 -9.736 533 H ILE 54 HN ILE 54 -13.094 -0.850 -6.723 534 HA ILE 54 HA ILE 54 -12.723 0.955 -4.539 535 HB ILE 54 HB ILE 54 -11.001 -1.354 -5.431 536 HG12 ILE 54 HG12 ILE 54 -13.271 -2.020 -4.770 537 HG13 ILE 54 HG11 ILE 54 -12.085 -2.569 -3.592 538 HG21 ILE 54 HG21 ILE 54 -9.705 0.192 -4.106 539 HG22 ILE 54 HG22 ILE 54 -10.072 -1.236 -3.141 540 HG23 ILE 54 HG23 ILE 54 -10.973 0.256 -2.885 541 HD11 ILE 54 HD11 ILE 54 -13.939 -0.222 -3.337 542 HD12 ILE 54 HD12 ILE 54 -12.662 -0.617 -2.188 543 HD13 ILE 54 HD13 ILE 54 -14.000 -1.740 -2.439 544 HA PRO 55 HA PRO 55 -8.484 1.795 -7.108 545 HB2 PRO 55 HB2 PRO 55 -9.951 1.996 -9.705 546 HB3 PRO 55 HB1 PRO 55 -8.279 1.516 -9.389 547 HG2 PRO 55 HG2 PRO 55 -10.110 -0.327 -9.913 548 HG3 PRO 55 HG1 PRO 55 -8.887 -0.605 -8.658 549 HD2 PRO 55 HD2 PRO 55 -11.773 0.091 -8.374 550 HD3 PRO 55 HD1 PRO 55 -10.759 -0.957 -7.367 551 H GLU 56 HN GLU 56 -11.683 3.089 -7.433 552 HA GLU 56 HA GLU 56 -10.947 5.713 -8.222 553 HB2 GLU 56 HB2 GLU 56 -13.264 4.648 -8.300 554 HB3 GLU 56 HB1 GLU 56 -13.367 4.990 -6.579 555 HG2 GLU 56 HG2 GLU 56 -14.479 6.702 -7.891 556 HG3 GLU 56 HG1 GLU 56 -13.094 7.364 -7.023 557 H SER 57 HN SER 57 -11.455 4.165 -5.064 558 HA SER 57 HA SER 57 -10.926 6.647 -3.664 559 HB2 SER 57 HB2 SER 57 -12.586 4.962 -2.811 560 HB3 SER 57 HB1 SER 57 -11.242 3.884 -2.478 561 HG SER 57 HG SER 57 -10.404 5.581 -1.115 562 H THR 58 HN THR 58 -9.176 3.845 -4.700 563 HA THR 58 HA THR 58 -7.094 3.828 -2.829 564 HB THR 58 HB THR 58 -5.704 2.756 -4.586 565 HG1 THR 58 HG1 THR 58 -6.375 2.674 -6.649 566 HG21 THR 58 HG21 THR 58 -7.219 1.376 -3.279 567 HG22 THR 58 HG22 THR 58 -7.145 0.791 -4.941 568 HG23 THR 58 HG23 THR 58 -8.534 1.731 -4.397 569 H LYS 59 HN LYS 59 -7.331 5.536 -5.941 570 HA LYS 59 HA LYS 59 -4.856 6.900 -5.637 571 HB2 LYS 59 HB2 LYS 59 -7.247 7.524 -7.371 572 HB3 LYS 59 HB1 LYS 59 -5.703 8.356 -7.476 573 HG2 LYS 59 HG2 LYS 59 -6.189 5.432 -7.999 574 HG3 LYS 59 HG1 LYS 59 -5.901 6.682 -9.209 575 HD2 LYS 59 HD2 LYS 59 -3.687 7.087 -7.916 576 HD3 LYS 59 HD1 LYS 59 -3.997 5.488 -7.230 577 HE2 LYS 59 HE2 LYS 59 -4.085 4.514 -9.448 578 HE3 LYS 59 HE1 LYS 59 -3.865 6.102 -10.180 579 HZ1 LYS 59 HZ1 LYS 59 -1.795 4.932 -10.177 580 HZ2 LYS 59 HZ2 LYS 59 -1.895 4.632 -8.518 581 HZ3 LYS 59 HZ3 LYS 59 -1.680 6.213 -9.078 582 H LYS 60 HN LYS 60 -8.166 7.638 -4.730 583 HA LYS 60 HA LYS 60 -7.830 10.353 -4.084 584 HB2 LYS 60 HB2 LYS 60 -10.044 9.255 -4.223 585 HB3 LYS 60 HB1 LYS 60 -9.675 8.342 -2.764 586 HG2 LYS 60 HG2 LYS 60 -9.331 10.644 -1.667 587 HG3 LYS 60 HG1 LYS 60 -10.189 11.278 -3.070 588 HD2 LYS 60 HD2 LYS 60 -11.835 10.962 -1.416 589 HD3 LYS 60 HD1 LYS 60 -12.014 9.602 -2.525 590 HE2 LYS 60 HE2 LYS 60 -10.938 8.120 -1.024 591 HE3 LYS 60 HE1 LYS 60 -10.391 9.444 0.001 592 HZ1 LYS 60 HZ1 LYS 60 -12.306 8.241 0.923 593 HZ2 LYS 60 HZ2 LYS 60 -13.240 8.699 -0.416 594 HZ3 LYS 60 HZ3 LYS 60 -12.645 9.874 0.652 595 H CYS 61 HN CYS 61 -7.965 7.573 -1.883 596 HA CYS 61 HA CYS 61 -7.048 8.939 0.387 597 HB2 CYS 61 HB2 CYS 61 -6.854 5.986 -0.251 598 HB3 CYS 61 HB1 CYS 61 -6.720 6.707 1.353 599 H GLN 62 HN GLN 62 -5.350 7.444 -2.255 600 HA GLN 62 HA GLN 62 -2.770 7.327 -1.191 601 HB2 GLN 62 HB2 GLN 62 -3.288 6.341 -3.338 602 HB3 GLN 62 HB1 GLN 62 -3.715 7.911 -4.003 603 HG2 GLN 62 HG2 GLN 62 -1.416 8.643 -3.817 604 HG3 GLN 62 HG1 GLN 62 -0.969 7.101 -3.083 605 HE21 GLN 62 HE21 GLN 62 -0.911 5.262 -4.365 606 HE22 GLN 62 HE22 GLN 62 -0.850 5.340 -6.090 607 H ASP 63 HN ASP 63 -4.258 9.924 -3.126 608 HA ASP 63 HA ASP 63 -2.166 11.772 -2.837 609 HB2 ASP 63 HB2 ASP 63 -3.888 11.994 -4.555 610 HB3 ASP 63 HB1 ASP 63 -5.113 12.260 -3.320 611 H GLU 64 HN GLU 64 -4.845 10.965 -0.782 612 HA GLU 64 HA GLU 64 -4.893 13.217 0.897 613 HB2 GLU 64 HB2 GLU 64 -5.508 10.312 1.505 614 HB3 GLU 64 HB1 GLU 64 -5.903 11.659 2.563 615 HG2 GLU 64 HG2 GLU 64 -6.989 11.177 -0.201 616 HG3 GLU 64 HG1 GLU 64 -7.857 10.992 1.322 617 H LEU 65 HN LEU 65 -3.347 10.084 1.374 618 HA LEU 65 HA LEU 65 -2.017 11.029 3.752 619 HB2 LEU 65 HB2 LEU 65 -1.900 8.336 2.408 620 HB3 LEU 65 HB1 LEU 65 -1.356 8.717 4.030 621 HG LEU 65 HG LEU 65 -4.209 9.169 3.246 622 HD11 LEU 65 HD11 LEU 65 -3.788 6.885 2.661 623 HD12 LEU 65 HD12 LEU 65 -4.734 6.951 4.146 624 HD13 LEU 65 HD13 LEU 65 -3.008 6.591 4.215 625 HD21 LEU 65 HD21 LEU 65 -4.585 8.878 5.633 626 HD22 LEU 65 HD22 LEU 65 -3.403 10.151 5.331 627 HD23 LEU 65 HD23 LEU 65 -2.868 8.561 5.873 628 H TYR 66 HN TYR 66 -1.185 10.389 0.430 629 HA TYR 66 HA TYR 66 1.521 9.967 0.453 630 HB2 TYR 66 HB2 TYR 66 0.349 9.963 -1.617 631 HB3 TYR 66 HB1 TYR 66 -0.179 11.624 -1.409 632 HD1 TYR 66 HD1 TYR 66 2.802 9.510 -2.070 633 HD2 TYR 66 HD2 TYR 66 1.111 13.411 -2.240 634 HE1 TYR 66 HE1 TYR 66 4.715 10.277 -3.414 635 HE2 TYR 66 HE2 TYR 66 3.018 14.185 -3.582 636 HH TYR 66 HH TYR 66 5.322 13.589 -4.012 637 H ALA 67 HN ALA 67 -0.135 13.029 0.973 638 HA ALA 67 HA ALA 67 2.154 14.684 0.822 639 HB1 ALA 67 HB1 ALA 67 -0.141 15.512 0.563 640 HB2 ALA 67 HB2 ALA 67 0.756 16.406 1.790 641 HB3 ALA 67 HB3 ALA 67 -0.434 15.197 2.273 642 H SER 68 HN SER 68 0.796 12.761 3.391 643 HA SER 68 HA SER 68 2.537 14.040 5.366 644 HB2 SER 68 HB2 SER 68 0.386 11.950 5.769 645 HB3 SER 68 HB1 SER 68 1.226 12.846 7.036 646 HG SER 68 HG SER 68 0.320 14.736 5.610 647 H MET 69 HN MET 69 2.434 11.358 3.316 648 HA MET 69 HA MET 69 3.834 9.446 4.869 649 HB2 MET 69 HB2 MET 69 3.562 9.816 1.886 650 HB3 MET 69 HB1 MET 69 4.368 8.441 2.622 651 HG2 MET 69 HG2 MET 69 2.304 7.779 3.705 652 HG3 MET 69 HG1 MET 69 1.488 9.196 3.046 653 HE1 MET 69 HE1 MET 69 3.049 5.673 0.514 654 HE2 MET 69 HE2 MET 69 3.123 5.731 2.274 655 HE3 MET 69 HE3 MET 69 4.119 6.822 1.313 656 HA PRO 70 HA PRO 70 7.943 11.149 4.603 657 HB2 PRO 70 HB2 PRO 70 9.340 8.950 5.325 658 HB3 PRO 70 HB1 PRO 70 8.397 9.892 6.487 659 HG2 PRO 70 HG2 PRO 70 7.698 7.333 5.109 660 HG3 PRO 70 HG1 PRO 70 7.434 7.803 6.799 661 HD2 PRO 70 HD2 PRO 70 5.482 7.892 4.897 662 HD3 PRO 70 HD1 PRO 70 5.521 8.971 6.304 663 H ASP 71 HN ASP 71 10.120 10.421 3.590 664 HA ASP 71 HA ASP 71 9.736 10.224 0.836 665 HB2 ASP 71 HB2 ASP 71 11.783 11.127 1.985 666 HB3 ASP 71 HB1 ASP 71 12.266 9.464 2.306 667 H LYS 72 HN LYS 72 10.928 7.754 3.083 668 HA LYS 72 HA LYS 72 10.147 5.740 1.100 669 HB2 LYS 72 HB2 LYS 72 12.468 5.546 3.023 670 HB3 LYS 72 HB1 LYS 72 12.005 4.350 1.821 671 HG2 LYS 72 HG2 LYS 72 12.503 5.934 0.040 672 HG3 LYS 72 HG1 LYS 72 12.954 7.143 1.237 673 HD2 LYS 72 HD2 LYS 72 14.768 5.706 2.015 674 HD3 LYS 72 HD1 LYS 72 14.309 4.479 0.832 675 HE2 LYS 72 HE2 LYS 72 16.205 5.817 0.050 676 HE3 LYS 72 HE1 LYS 72 14.794 6.021 -0.986 677 HZ1 LYS 72 HZ1 LYS 72 15.893 8.129 -0.520 678 HZ2 LYS 72 HZ2 LYS 72 15.654 7.913 1.138 679 HZ3 LYS 72 HZ3 LYS 72 14.319 8.120 0.112 680 H ILE 73 HN ILE 73 9.565 3.662 1.999 681 HA ILE 73 HA ILE 73 8.119 4.022 4.542 682 HB ILE 73 HB ILE 73 7.252 2.552 2.045 683 HG12 ILE 73 HG12 ILE 73 7.093 4.989 1.831 684 HG13 ILE 73 HG11 ILE 73 5.496 4.249 1.887 685 HG21 ILE 73 HG21 ILE 73 6.480 1.419 4.069 686 HG22 ILE 73 HG22 ILE 73 5.139 2.153 3.191 687 HG23 ILE 73 HG23 ILE 73 5.768 2.927 4.644 688 HD11 ILE 73 HD11 ILE 73 6.884 5.658 4.152 689 HD12 ILE 73 HD12 ILE 73 5.301 4.887 4.241 690 HD13 ILE 73 HD13 ILE 73 5.546 6.280 3.188 691 H ASN 74 HN ASN 74 8.945 2.719 6.048 692 HA ASN 74 HA ASN 74 10.279 0.241 5.356 693 HB2 ASN 74 HB2 ASN 74 11.089 1.758 7.183 694 HB3 ASN 74 HB1 ASN 74 9.634 1.373 8.094 695 HD21 ASN 74 HD21 ASN 74 10.903 0.559 9.774 696 HD22 ASN 74 HD22 ASN 74 11.665 -0.989 9.667 697 H SER 75 HN SER 75 9.617 -1.755 6.802 698 HA SER 75 HA SER 75 7.139 -2.610 5.873 699 HB2 SER 75 HB2 SER 75 9.039 -4.077 6.634 700 HB3 SER 75 HB1 SER 75 8.557 -3.736 8.295 701 HG SER 75 HG SER 75 7.314 -5.415 7.989 702 H GLU 76 HN GLU 76 7.995 -1.530 9.168 703 HA GLU 76 HA GLU 76 5.427 -1.745 10.277 704 HB2 GLU 76 HB2 GLU 76 7.398 -1.431 11.665 705 HB3 GLU 76 HB1 GLU 76 7.672 0.157 10.962 706 HG2 GLU 76 HG2 GLU 76 5.508 0.900 11.905 707 HG3 GLU 76 HG1 GLU 76 5.357 -0.670 12.693 708 H THR 77 HN THR 77 7.006 0.908 8.571 709 HA THR 77 HA THR 77 5.017 2.859 9.018 710 HB THR 77 HB THR 77 6.837 2.768 6.611 711 HG1 THR 77 HG1 THR 77 7.445 3.275 9.338 712 HG21 THR 77 HG21 THR 77 5.205 4.600 6.701 713 HG22 THR 77 HG22 THR 77 6.853 5.201 6.883 714 HG23 THR 77 HG23 THR 77 5.805 5.056 8.296 715 H ALA 78 HN ALA 78 5.487 0.378 6.613 716 HA ALA 78 HA ALA 78 3.577 1.135 4.717 717 HB1 ALA 78 HB1 ALA 78 5.253 -0.590 4.324 718 HB2 ALA 78 HB2 ALA 78 3.630 -1.211 4.023 719 HB3 ALA 78 HB3 ALA 78 4.474 -1.632 5.515 720 H GLY 79 HN GLY 79 3.286 -0.887 7.617 721 HA2 GLY 79 HA2 GLY 79 0.572 -1.566 7.302 722 HA3 GLY 79 HA1 GLY 79 1.446 -1.539 8.828 723 H THR 80 HN THR 80 2.142 1.217 8.761 724 HA THR 80 HA THR 80 -0.021 2.399 10.050 725 HB THR 80 HB THR 80 2.179 3.886 8.606 726 HG1 THR 80 HG1 THR 80 3.387 3.586 10.508 727 HG21 THR 80 HG21 THR 80 0.392 5.300 9.490 728 HG22 THR 80 HG22 THR 80 1.884 5.526 10.405 729 HG23 THR 80 HG23 THR 80 0.577 4.552 11.078 730 H TRP 81 HN TRP 81 1.189 3.008 6.755 731 HA TRP 81 HA TRP 81 -1.030 4.753 6.188 732 HB2 TRP 81 HB2 TRP 81 1.173 3.730 4.384 733 HB3 TRP 81 HB1 TRP 81 0.030 5.013 3.981 734 HD1 TRP 81 HD1 TRP 81 3.373 4.503 5.469 735 HE1 TRP 81 HE1 TRP 81 4.211 6.667 6.585 736 HE3 TRP 81 HE3 TRP 81 -0.992 7.155 5.475 737 HZ2 TRP 81 HZ2 TRP 81 3.159 9.167 7.361 738 HZ3 TRP 81 HZ3 TRP 81 -0.994 9.423 6.420 739 HH2 TRP 81 HH2 TRP 81 1.039 10.408 7.347 740 H GLY 82 HN GLY 82 -0.154 1.441 5.551 741 HA2 GLY 82 HA2 GLY 82 -1.924 0.863 3.460 742 HA3 GLY 82 HA1 GLY 82 -1.323 -0.300 4.631 743 H ARG 83 HN ARG 83 -2.421 0.564 6.981 744 HA ARG 83 HA ARG 83 -5.111 -0.300 6.716 745 HB2 ARG 83 HB2 ARG 83 -5.335 0.161 9.106 746 HB3 ARG 83 HB1 ARG 83 -3.858 -0.726 8.768 747 HG2 ARG 83 HG2 ARG 83 -2.507 1.074 9.269 748 HG3 ARG 83 HG1 ARG 83 -3.796 2.248 8.988 749 HD2 ARG 83 HD2 ARG 83 -3.782 0.263 11.252 750 HD3 ARG 83 HD1 ARG 83 -3.207 1.924 11.392 751 HE ARG 83 HE ARG 83 -5.719 2.184 10.381 752 HH11 ARG 83 HH11 ARG 83 -4.417 0.559 13.198 753 HH12 ARG 83 HH12 ARG 83 -5.834 0.834 14.159 754 HH21 ARG 83 HH21 ARG 83 -7.566 2.542 11.621 755 HH22 ARG 83 HH22 ARG 83 -7.636 1.965 13.260 756 H SER 84 HN SER 84 -3.597 2.855 7.018 757 HA SER 84 HA SER 84 -5.927 4.355 7.482 758 HB2 SER 84 HB2 SER 84 -3.351 5.186 6.124 759 HB3 SER 84 HB1 SER 84 -4.588 6.289 6.728 760 HG SER 84 HG SER 84 -2.688 4.809 8.112 761 H LEU 85 HN LEU 85 -4.281 3.433 4.469 762 HA LEU 85 HA LEU 85 -6.095 4.626 2.683 763 HB2 LEU 85 HB2 LEU 85 -4.442 2.111 2.420 764 HB3 LEU 85 HB1 LEU 85 -5.358 2.812 1.102 765 HG LEU 85 HG LEU 85 -3.141 4.274 2.538 766 HD11 LEU 85 HD11 LEU 85 -1.734 3.716 0.647 767 HD12 LEU 85 HD12 LEU 85 -3.041 2.782 -0.079 768 HD13 LEU 85 HD13 LEU 85 -2.302 2.240 1.428 769 HD21 LEU 85 HD21 LEU 85 -4.793 5.678 1.371 770 HD22 LEU 85 HD22 LEU 85 -4.498 4.767 -0.109 771 HD23 LEU 85 HD23 LEU 85 -3.208 5.737 0.600 772 H GLY 86 HN GLY 86 -6.018 1.407 4.152 773 HA2 GLY 86 HA2 GLY 86 -8.183 0.276 2.825 774 HA3 GLY 86 HA1 GLY 86 -7.614 -0.208 4.412 775 H GLU 87 HN GLU 87 -8.224 1.779 6.072 776 HA GLU 87 HA GLU 87 -11.010 1.458 6.390 777 HB2 GLU 87 HB2 GLU 87 -10.787 3.070 8.265 778 HB3 GLU 87 HB1 GLU 87 -9.623 1.757 8.329 779 HG2 GLU 87 HG2 GLU 87 -7.921 3.270 7.372 780 HG3 GLU 87 HG1 GLU 87 -9.098 4.580 7.433 781 H CYS 88 HN CYS 88 -9.084 4.069 5.048 782 HA CYS 88 HA CYS 88 -11.143 5.984 4.831 783 HB2 CYS 88 HB2 CYS 88 -8.867 6.694 4.583 784 HB3 CYS 88 HB1 CYS 88 -8.593 5.554 3.267 785 H ILE 89 HN ILE 89 -9.822 3.707 2.455 786 HA ILE 89 HA ILE 89 -11.590 4.241 0.345 787 HB ILE 89 HB ILE 89 -10.083 1.741 1.102 788 HG12 ILE 89 HG12 ILE 89 -9.555 3.762 -1.085 789 HG13 ILE 89 HG11 ILE 89 -8.798 3.825 0.506 790 HG21 ILE 89 HG21 ILE 89 -12.020 1.146 -0.240 791 HG22 ILE 89 HG22 ILE 89 -10.521 0.927 -1.147 792 HG23 ILE 89 HG23 ILE 89 -11.548 2.327 -1.460 793 HD11 ILE 89 HD11 ILE 89 -7.305 2.823 -1.084 794 HD12 ILE 89 HD12 ILE 89 -8.521 1.625 -1.528 795 HD13 ILE 89 HD13 ILE 89 -7.818 1.613 0.090 796 H GLY 90 HN GLY 90 -11.772 1.813 2.953 797 HA2 GLY 90 HA2 GLY 90 -14.058 0.466 2.116 798 HA3 GLY 90 HA1 GLY 90 -13.551 0.627 3.790 799 H LYS 91 HN LYS 91 -13.781 3.455 3.948 800 HA LYS 91 HA LYS 91 -16.577 3.650 4.525 801 HB2 LYS 91 HB2 LYS 91 -14.399 5.745 4.558 802 HB3 LYS 91 HB1 LYS 91 -16.037 6.004 5.141 803 HG2 LYS 91 HG2 LYS 91 -15.707 4.254 6.819 804 HG3 LYS 91 HG1 LYS 91 -14.055 4.029 6.244 805 HD2 LYS 91 HD2 LYS 91 -13.573 6.380 6.794 806 HD3 LYS 91 HD1 LYS 91 -15.210 6.548 7.431 807 HE2 LYS 91 HE2 LYS 91 -14.735 4.801 9.083 808 HE3 LYS 91 HE1 LYS 91 -13.094 4.660 8.455 809 HZ1 LYS 91 HZ1 LYS 91 -13.115 6.045 10.404 810 HZ2 LYS 91 HZ2 LYS 91 -14.284 7.061 9.727 811 HZ3 LYS 91 HZ3 LYS 91 -12.735 6.992 9.055 812 H ASP 92 HN ASP 92 -14.439 4.873 2.020 813 HA ASP 92 HA ASP 92 -16.331 6.644 0.839 814 HB2 ASP 92 HB2 ASP 92 -13.834 6.759 0.520 815 HB3 ASP 92 HB1 ASP 92 -13.956 5.326 -0.498 816 H PHE 93 HN PHE 93 -15.204 3.393 0.111 817 HA PHE 93 HA PHE 93 -16.803 2.868 -2.117 818 HB2 PHE 93 HB2 PHE 93 -14.949 1.435 -1.550 819 HB3 PHE 93 HB1 PHE 93 -15.671 1.034 0.003 820 HD1 PHE 93 HD1 PHE 93 -16.138 0.680 -3.655 821 HD2 PHE 93 HD2 PHE 93 -17.088 -0.797 0.221 822 HE1 PHE 93 HE1 PHE 93 -17.205 -1.287 -4.664 823 HE2 PHE 93 HE2 PHE 93 -18.161 -2.766 -0.789 824 HZ PHE 93 HZ PHE 93 -18.214 -3.011 -3.234 825 H ALA 94 HN ALA 94 -17.415 2.424 1.335 826 HA ALA 94 HA ALA 94 -19.884 1.127 1.127 827 HB1 ALA 94 HB1 ALA 94 -18.937 2.993 3.299 828 HB2 ALA 94 HB2 ALA 94 -18.637 1.256 3.223 829 HB3 ALA 94 HB3 ALA 94 -20.282 1.859 3.423 830 H GLU 95 HN GLU 95 -19.220 4.599 1.634 831 HA GLU 95 HA GLU 95 -21.948 5.312 1.497 832 HB2 GLU 95 HB2 GLU 95 -19.479 7.007 1.166 833 HB3 GLU 95 HB1 GLU 95 -21.112 7.633 1.367 834 HG2 GLU 95 HG2 GLU 95 -21.232 6.420 3.534 835 HG3 GLU 95 HG1 GLU 95 -19.528 6.017 3.339 836 H LYS 96 HN LYS 96 -19.535 4.857 -0.968 837 HA LYS 96 HA LYS 96 -20.885 6.472 -2.909 838 HB2 LYS 96 HB2 LYS 96 -19.169 5.950 -4.387 839 HB3 LYS 96 HB1 LYS 96 -18.385 5.827 -2.829 840 HG2 LYS 96 HG2 LYS 96 -18.536 3.417 -2.895 841 HG3 LYS 96 HG1 LYS 96 -19.373 3.505 -4.443 842 HD2 LYS 96 HD2 LYS 96 -16.581 4.526 -3.929 843 HD3 LYS 96 HD1 LYS 96 -16.969 2.976 -4.679 844 HE2 LYS 96 HE2 LYS 96 -18.164 4.176 -6.470 845 HE3 LYS 96 HE1 LYS 96 -17.696 5.706 -5.731 846 HZ1 LYS 96 HZ1 LYS 96 -15.368 5.079 -6.066 847 HZ2 LYS 96 HZ2 LYS 96 -16.218 5.179 -7.523 848 HZ3 LYS 96 HZ3 LYS 96 -15.858 3.665 -6.858 849 H HIS 97 HN HIS 97 -20.546 2.964 -2.436 850 HA HIS 97 HA HIS 97 -22.638 2.637 -4.475 851 HB2 HIS 97 HB2 HIS 97 -20.194 1.672 -4.700 852 HB3 HIS 97 HB1 HIS 97 -20.876 0.370 -3.730 853 HD1 HIS 97 HD1 HIS 97 -20.718 1.660 -7.151 854 HD2 HIS 97 HD2 HIS 97 -23.121 -0.963 -5.003 855 HE1 HIS 97 HE1 HIS 97 -21.961 0.321 -8.872 856 HE2 HIS 97 HE2 HIS 97 -23.555 -1.110 -7.548 857 H LEU 98 HN LEU 98 -21.563 1.411 -1.313 858 HA LEU 98 HA LEU 98 -23.686 -0.487 -1.129 859 HB2 LEU 98 HB2 LEU 98 -21.949 0.683 1.042 860 HB3 LEU 98 HB1 LEU 98 -23.042 -0.668 1.254 861 HG LEU 98 HG LEU 98 -20.598 -0.643 -0.522 862 HD11 LEU 98 HD11 LEU 98 -20.087 -0.692 1.876 863 HD12 LEU 98 HD12 LEU 98 -19.690 -2.219 1.091 864 HD13 LEU 98 HD13 LEU 98 -21.151 -2.084 2.068 865 HD21 LEU 98 HD21 LEU 98 -22.543 -2.860 0.108 866 HD22 LEU 98 HD22 LEU 98 -21.036 -3.036 -0.793 867 HD23 LEU 98 HD23 LEU 98 -22.349 -2.058 -1.451 868 H ILE 99 HN ILE 99 -23.227 2.819 -0.066 869 HA ILE 99 HA ILE 99 -25.944 2.916 0.986 870 HB ILE 99 HB ILE 99 -23.885 5.118 0.743 871 HG12 ILE 99 HG12 ILE 99 -23.157 3.388 2.299 872 HG13 ILE 99 HG11 ILE 99 -23.629 4.834 3.179 873 HG21 ILE 99 HG21 ILE 99 -26.538 5.045 2.175 874 HG22 ILE 99 HG22 ILE 99 -26.120 6.030 0.773 875 HG23 ILE 99 HG23 ILE 99 -25.341 6.331 2.325 876 HD11 ILE 99 HD11 ILE 99 -25.264 2.331 2.867 877 HD12 ILE 99 HD12 ILE 99 -25.781 3.790 3.713 878 HD13 ILE 99 HD13 ILE 99 -24.409 2.858 4.317 879 HA PRO 100 HA PRO 100 -27.112 4.063 -3.229 880 HB2 PRO 100 HB2 PRO 100 -29.742 3.572 -2.959 881 HB3 PRO 100 HB1 PRO 100 -28.564 2.268 -3.143 882 HG2 PRO 100 HG2 PRO 100 -29.889 3.290 -0.664 883 HG3 PRO 100 HG1 PRO 100 -29.566 1.617 -1.150 884 HD2 PRO 100 HD2 PRO 100 -28.017 3.014 0.624 885 HD3 PRO 100 HD1 PRO 100 -27.411 1.680 -0.379 886 H LYS 101 HN LYS 101 -27.472 5.593 -0.376 887 HA LYS 101 HA LYS 101 -29.411 7.587 -1.233 888 HB2 LYS 101 HB2 LYS 101 -27.864 7.469 1.361 889 HB3 LYS 101 HB1 LYS 101 -29.309 8.415 1.025 890 HG2 LYS 101 HG2 LYS 101 -30.599 6.350 0.783 891 HG3 LYS 101 HG1 LYS 101 -29.148 5.408 1.136 892 HD2 LYS 101 HD2 LYS 101 -29.009 6.467 3.341 893 HD3 LYS 101 HD1 LYS 101 -30.469 7.393 2.986 894 HE2 LYS 101 HE2 LYS 101 -31.757 5.347 2.804 895 HE3 LYS 101 HE1 LYS 101 -30.303 4.383 3.054 896 HZ1 LYS 101 HZ1 LYS 101 -31.628 4.583 5.072 897 HZ2 LYS 101 HZ2 LYS 101 -31.470 6.264 5.033 898 HZ3 LYS 101 HZ3 LYS 101 -30.107 5.293 5.271 Start of MODEL 10 1 H1 MET -14 HT1 MET -14 2.611 -23.283 -15.790 2 H2 MET -14 HT2 MET -14 1.694 -22.296 -16.807 3 H3 MET -14 HT3 MET -14 2.427 -23.687 -17.420 4 HA MET -14 HA MET -14 1.043 -25.074 -16.043 5 HB2 MET -14 HB2 MET -14 -0.245 -22.448 -15.258 6 HB3 MET -14 HB1 MET -14 -0.883 -24.037 -14.865 7 HG2 MET -14 HG2 MET -14 0.201 -23.228 -12.932 8 HG3 MET -14 HG1 MET -14 1.241 -24.477 -13.613 9 HE1 MET -14 HE1 MET -14 3.802 -21.950 -12.054 10 HE2 MET -14 HE2 MET -14 3.240 -23.621 -12.084 11 HE3 MET -14 HE3 MET -14 2.210 -22.356 -11.415 12 H ALA -13 HN ALA -13 1.098 -25.169 -18.501 13 HA ALA -13 HA ALA -13 -0.001 -25.474 -20.452 14 HB1 ALA -13 HB1 ALA -13 -2.500 -24.758 -18.927 15 HB2 ALA -13 HB2 ALA -13 -1.820 -26.377 -19.081 16 HB3 ALA -13 HB3 ALA -13 -2.426 -25.534 -20.507 17 H HIS -12 HN HIS -12 -1.460 -24.292 -22.094 18 HA HIS -12 HA HIS -12 -1.589 -22.520 -23.502 19 HB2 HIS -12 HB2 HIS -12 -1.926 -21.028 -20.896 20 HB3 HIS -12 HB1 HIS -12 -2.141 -20.291 -22.478 21 HD1 HIS -12 HD1 HIS -12 -4.207 -21.219 -19.957 22 HD2 HIS -12 HD2 HIS -12 -4.057 -22.413 -23.934 23 HE1 HIS -12 HE1 HIS -12 -6.503 -22.097 -20.484 24 HE2 HIS -12 HE2 HIS -12 -6.361 -22.902 -22.870 25 H HIS -11 HN HIS -11 0.649 -23.001 -24.022 26 HA HIS -11 HA HIS -11 2.787 -22.415 -24.500 27 HB2 HIS -11 HB2 HIS -11 1.838 -19.723 -23.507 28 HB3 HIS -11 HB1 HIS -11 3.466 -19.994 -24.112 29 HD1 HIS -11 HD1 HIS -11 3.792 -19.877 -26.588 30 HD2 HIS -11 HD2 HIS -11 -0.215 -20.126 -25.524 31 HE1 HIS -11 HE1 HIS -11 2.505 -19.507 -28.714 32 HE2 HIS -11 HE2 HIS -11 0.090 -19.472 -28.006 33 H HIS -10 HN HIS -10 4.668 -20.890 -23.153 34 HA HIS -10 HA HIS -10 6.144 -21.010 -21.439 35 HB2 HIS -10 HB2 HIS -10 3.546 -21.146 -19.925 36 HB3 HIS -10 HB1 HIS -10 5.096 -21.196 -19.094 37 HD1 HIS -10 HD1 HIS -10 2.597 -18.872 -20.095 38 HD2 HIS -10 HD2 HIS -10 6.743 -18.817 -19.914 39 HE1 HIS -10 HE1 HIS -10 3.240 -16.443 -20.106 40 HE2 HIS -10 HE2 HIS -10 5.747 -16.436 -19.823 41 H HIS -9 HN HIS -9 6.384 -23.211 -22.699 42 HA HIS -9 HA HIS -9 6.463 -25.260 -20.595 43 HB2 HIS -9 HB2 HIS -9 6.091 -27.020 -22.250 44 HB3 HIS -9 HB1 HIS -9 4.740 -25.898 -22.217 45 HD1 HIS -9 HD1 HIS -9 7.651 -26.947 -24.361 46 HD2 HIS -9 HD2 HIS -9 4.220 -24.610 -24.602 47 HE1 HIS -9 HE1 HIS -9 7.396 -26.369 -26.794 48 HE2 HIS -9 HE2 HIS -9 5.433 -24.792 -26.880 49 H HIS -8 HN HIS -8 8.326 -23.201 -22.066 50 HA HIS -8 HA HIS -8 10.503 -25.075 -22.674 51 HB2 HIS -8 HB2 HIS -8 10.317 -22.075 -23.016 52 HB3 HIS -8 HB1 HIS -8 11.748 -23.026 -23.388 53 HD1 HIS -8 HD1 HIS -8 8.823 -21.642 -24.923 54 HD2 HIS -8 HD2 HIS -8 11.137 -25.054 -25.488 55 HE1 HIS -8 HE1 HIS -8 8.295 -22.452 -27.253 56 HE2 HIS -8 HE2 HIS -8 9.754 -24.474 -27.595 57 H HIS -7 HN HIS -7 9.222 -23.234 -20.191 58 HA HIS -7 HA HIS -7 9.844 -22.783 -18.066 59 HB2 HIS -7 HB2 HIS -7 12.265 -24.427 -18.786 60 HB3 HIS -7 HB1 HIS -7 12.061 -23.684 -17.203 61 HD1 HIS -7 HD1 HIS -7 11.158 -26.655 -19.142 62 HD2 HIS -7 HD2 HIS -7 9.735 -24.681 -15.770 63 HE1 HIS -7 HE1 HIS -7 9.634 -28.289 -17.989 64 HE2 HIS -7 HE2 HIS -7 8.834 -27.099 -15.921 65 H VAL -6 HN VAL -6 12.362 -22.269 -20.471 66 HA VAL -6 HA VAL -6 13.139 -19.792 -19.122 67 HB VAL -6 HB VAL -6 14.998 -19.714 -20.749 68 HG11 VAL -6 HG11 VAL -6 16.242 -21.634 -19.849 69 HG12 VAL -6 HG12 VAL -6 14.731 -22.314 -19.245 70 HG13 VAL -6 HG13 VAL -6 15.330 -20.788 -18.598 71 HG21 VAL -6 HG21 VAL -6 13.907 -20.877 -22.602 72 HG22 VAL -6 HG22 VAL -6 13.926 -22.379 -21.678 73 HG23 VAL -6 HG23 VAL -6 15.443 -21.639 -22.190 74 H ASP -5 HN ASP -5 10.597 -20.271 -20.672 75 HA ASP -5 HA ASP -5 10.588 -18.827 -23.066 76 HB2 ASP -5 HB2 ASP -5 8.447 -19.037 -20.938 77 HB3 ASP -5 HB1 ASP -5 8.188 -18.308 -22.516 78 H ASP -4 HN ASP -4 10.363 -17.792 -19.724 79 HA ASP -4 HA ASP -4 10.910 -15.029 -20.593 80 HB2 ASP -4 HB2 ASP -4 9.780 -15.934 -17.932 81 HB3 ASP -4 HB1 ASP -4 10.018 -14.272 -18.451 82 H ASP -3 HN ASP -3 13.127 -15.438 -20.798 83 HA ASP -3 HA ASP -3 14.550 -16.715 -18.628 84 HB2 ASP -3 HB2 ASP -3 16.503 -16.607 -20.073 85 HB3 ASP -3 HB1 ASP -3 15.125 -17.237 -20.967 86 H ASP -2 HN ASP -2 13.408 -13.739 -18.840 87 HA ASP -2 HA ASP -2 15.643 -12.121 -18.174 88 HB2 ASP -2 HB2 ASP -2 12.704 -11.766 -17.544 89 HB3 ASP -2 HB1 ASP -2 13.933 -10.556 -17.205 90 H LYS -1 HN LYS -1 16.913 -12.612 -16.498 91 HA LYS -1 HA LYS -1 15.679 -13.709 -14.078 92 HB2 LYS -1 HB2 LYS -1 18.573 -13.714 -14.965 93 HB3 LYS -1 HB1 LYS -1 17.962 -14.443 -13.489 94 HG2 LYS -1 HG2 LYS -1 17.279 -15.274 -16.302 95 HG3 LYS -1 HG1 LYS -1 18.333 -16.132 -15.178 96 HD2 LYS -1 HD2 LYS -1 16.422 -16.426 -13.652 97 HD3 LYS -1 HD1 LYS -1 15.383 -15.617 -14.823 98 HE2 LYS -1 HE2 LYS -1 15.123 -18.008 -15.024 99 HE3 LYS -1 HE1 LYS -1 15.915 -17.376 -16.467 100 HZ1 LYS -1 HZ1 LYS -1 16.927 -19.435 -15.613 101 HZ2 LYS -1 HZ2 LYS -1 17.341 -18.630 -14.186 102 HZ3 LYS -1 HZ3 LYS -1 18.020 -18.145 -15.657 103 H MET 0 HN MET 0 16.567 -12.962 -12.017 104 HA MET 0 HA MET 0 17.101 -11.356 -10.508 105 HB2 MET 0 HB2 MET 0 18.723 -10.495 -12.868 106 HB3 MET 0 HB1 MET 0 18.624 -9.445 -11.457 107 HG2 MET 0 HG2 MET 0 19.598 -12.293 -11.481 108 HG3 MET 0 HG1 MET 0 20.607 -10.850 -11.386 109 HE1 MET 0 HE1 MET 0 21.865 -11.431 -9.198 110 HE2 MET 0 HE2 MET 0 21.117 -13.024 -9.310 111 HE3 MET 0 HE3 MET 0 21.089 -12.143 -7.784 112 H GLU 1 HN GLU 1 14.844 -11.059 -12.603 113 HA GLU 1 HA GLU 1 14.387 -8.176 -12.400 114 HB2 GLU 1 HB2 GLU 1 14.028 -9.389 -14.571 115 HB3 GLU 1 HB1 GLU 1 12.718 -10.272 -13.804 116 HG2 GLU 1 HG2 GLU 1 11.834 -8.471 -15.130 117 HG3 GLU 1 HG1 GLU 1 11.533 -8.160 -13.422 118 H ASP 2 HN ASP 2 13.373 -11.210 -11.110 119 HA ASP 2 HA ASP 2 10.960 -10.260 -9.875 120 HB2 ASP 2 HB2 ASP 2 11.463 -12.675 -10.504 121 HB3 ASP 2 HB1 ASP 2 12.548 -12.719 -9.122 122 H THR 3 HN THR 3 10.649 -9.987 -7.602 123 HA THR 3 HA THR 3 11.144 -9.184 -5.534 124 HB THR 3 HB THR 3 13.993 -10.123 -5.889 125 HG1 THR 3 HG1 THR 3 11.853 -11.640 -6.197 126 HG21 THR 3 HG21 THR 3 13.836 -10.549 -3.479 127 HG22 THR 3 HG22 THR 3 12.164 -9.987 -3.485 128 HG23 THR 3 HG23 THR 3 13.474 -8.863 -3.849 129 H ALA 4 HN ALA 4 11.088 -7.420 -7.523 130 HA ALA 4 HA ALA 4 13.518 -5.866 -7.681 131 HB1 ALA 4 HB1 ALA 4 10.786 -5.354 -8.853 132 HB2 ALA 4 HB2 ALA 4 12.128 -6.157 -9.666 133 HB3 ALA 4 HB3 ALA 4 12.254 -4.455 -9.226 134 H ASN 5 HN ASN 5 13.590 -5.427 -5.363 135 HA ASN 5 HA ASN 5 12.508 -2.818 -4.852 136 HB2 ASN 5 HB2 ASN 5 11.347 -3.310 -2.802 137 HB3 ASN 5 HB1 ASN 5 10.681 -4.350 -4.054 138 HD21 ASN 5 HD21 ASN 5 11.087 -6.567 -3.978 139 HD22 ASN 5 HD22 ASN 5 11.695 -7.338 -2.552 140 HA PRO 6 HA PRO 6 16.416 -2.818 -2.743 141 HB2 PRO 6 HB2 PRO 6 16.012 -0.201 -1.712 142 HB3 PRO 6 HB1 PRO 6 16.845 -0.646 -3.199 143 HG2 PRO 6 HG2 PRO 6 14.454 0.766 -3.055 144 HG3 PRO 6 HG1 PRO 6 15.068 -0.073 -4.489 145 HD2 PRO 6 HD2 PRO 6 13.021 -0.961 -2.499 146 HD3 PRO 6 HD1 PRO 6 13.078 -1.210 -4.257 147 H ASN 7 HN ASN 7 14.438 -4.140 -1.256 148 HA ASN 7 HA ASN 7 13.876 -4.807 0.836 149 HB2 ASN 7 HB2 ASN 7 16.131 -2.958 1.591 150 HB3 ASN 7 HB1 ASN 7 15.160 -3.772 2.811 151 HD21 ASN 7 HD21 ASN 7 16.874 -4.966 3.570 152 HD22 ASN 7 HD22 ASN 7 17.559 -6.281 2.679 153 H GLU 8 HN GLU 8 14.532 -1.321 1.036 154 HA GLU 8 HA GLU 8 11.826 -0.973 2.128 155 HB2 GLU 8 HB2 GLU 8 13.736 -0.157 3.522 156 HB3 GLU 8 HB1 GLU 8 14.148 0.955 2.226 157 HG2 GLU 8 HG2 GLU 8 12.091 2.138 2.505 158 HG3 GLU 8 HG1 GLU 8 11.516 0.944 3.670 159 H MET 9 HN MET 9 10.377 0.117 0.984 160 HA MET 9 HA MET 9 11.179 0.940 -1.710 161 HB2 MET 9 HB2 MET 9 8.678 0.820 -2.133 162 HB3 MET 9 HB1 MET 9 9.464 -0.706 -1.767 163 HG2 MET 9 HG2 MET 9 8.136 0.901 0.378 164 HG3 MET 9 HG1 MET 9 7.208 -0.182 -0.659 165 HE1 MET 9 HE1 MET 9 7.549 -2.791 -0.748 166 HE2 MET 9 HE2 MET 9 8.743 -3.673 0.204 167 HE3 MET 9 HE3 MET 9 9.268 -2.612 -1.103 168 H THR 10 HN THR 10 10.083 2.855 -2.629 169 HA THR 10 HA THR 10 10.154 5.004 -0.702 170 HB THR 10 HB THR 10 9.729 6.451 -2.735 171 HG1 THR 10 HG1 THR 10 10.089 5.320 -4.764 172 HG21 THR 10 HG21 THR 10 12.103 4.582 -2.831 173 HG22 THR 10 HG22 THR 10 11.986 6.063 -1.880 174 HG23 THR 10 HG23 THR 10 11.988 6.144 -3.642 175 H LYS 11 HN LYS 11 8.432 6.693 -0.718 176 HA LYS 11 HA LYS 11 5.981 5.633 0.013 177 HB2 LYS 11 HB2 LYS 11 5.114 7.952 -0.145 178 HB3 LYS 11 HB1 LYS 11 6.643 7.844 0.716 179 HG2 LYS 11 HG2 LYS 11 7.753 8.494 -1.469 180 HG3 LYS 11 HG1 LYS 11 6.139 8.893 -2.052 181 HD2 LYS 11 HD2 LYS 11 7.531 10.091 0.340 182 HD3 LYS 11 HD1 LYS 11 7.256 10.881 -1.212 183 HE2 LYS 11 HE2 LYS 11 4.823 10.699 -0.837 184 HE3 LYS 11 HE1 LYS 11 5.143 9.968 0.735 185 HZ1 LYS 11 HZ1 LYS 11 6.189 11.977 1.472 186 HZ2 LYS 11 HZ2 LYS 11 4.658 12.363 0.856 187 HZ3 LYS 11 HZ3 LYS 11 6.045 12.681 -0.062 188 H ASP 12 HN ASP 12 7.001 6.871 -3.134 189 HA ASP 12 HA ASP 12 4.397 6.752 -4.302 190 HB2 ASP 12 HB2 ASP 12 6.152 8.274 -5.117 191 HB3 ASP 12 HB1 ASP 12 7.115 6.891 -5.618 192 H ALA 13 HN ALA 13 7.256 4.663 -4.394 193 HA ALA 13 HA ALA 13 6.188 2.851 -6.304 194 HB1 ALA 13 HB1 ALA 13 8.429 2.486 -4.327 195 HB2 ALA 13 HB2 ALA 13 8.579 3.090 -5.978 196 HB3 ALA 13 HB3 ALA 13 8.075 1.423 -5.689 197 H TRP 14 HN TRP 14 6.307 2.931 -2.777 198 HA TRP 14 HA TRP 14 5.205 0.397 -2.303 199 HB2 TRP 14 HB2 TRP 14 6.161 1.688 -0.484 200 HB3 TRP 14 HB1 TRP 14 4.949 2.951 -0.698 201 HD1 TRP 14 HD1 TRP 14 5.249 -0.700 0.508 202 HE1 TRP 14 HE1 TRP 14 3.277 -1.193 2.086 203 HE3 TRP 14 HE3 TRP 14 2.661 3.674 -0.035 204 HZ2 TRP 14 HZ2 TRP 14 0.941 0.109 2.992 205 HZ3 TRP 14 HZ3 TRP 14 0.567 3.972 1.217 206 HH2 TRP 14 HH2 TRP 14 -0.274 2.222 2.701 207 H LEU 15 HN LEU 15 3.659 3.569 -2.682 208 HA LEU 15 HA LEU 15 1.005 2.770 -2.415 209 HB2 LEU 15 HB2 LEU 15 2.265 4.953 -4.071 210 HB3 LEU 15 HB1 LEU 15 0.529 4.757 -3.920 211 HG LEU 15 HG LEU 15 2.366 5.194 -1.569 212 HD11 LEU 15 HD11 LEU 15 2.529 7.138 -2.952 213 HD12 LEU 15 HD12 LEU 15 1.475 7.512 -1.587 214 HD13 LEU 15 HD13 LEU 15 0.783 7.187 -3.175 215 HD21 LEU 15 HD21 LEU 15 -0.630 5.307 -1.889 216 HD22 LEU 15 HD22 LEU 15 0.243 5.837 -0.454 217 HD23 LEU 15 HD23 LEU 15 0.298 4.144 -0.945 218 H ASN 16 HN ASN 16 3.055 2.916 -5.307 219 HA ASN 16 HA ASN 16 1.164 2.176 -7.215 220 HB2 ASN 16 HB2 ASN 16 3.407 3.005 -7.770 221 HB3 ASN 16 HB1 ASN 16 4.121 1.520 -7.150 222 HD21 ASN 16 HD21 ASN 16 5.041 0.883 -9.056 223 HD22 ASN 16 HD22 ASN 16 4.127 0.381 -10.435 224 H SER 17 HN SER 17 3.107 0.191 -5.063 225 HA SER 17 HA SER 17 2.236 -2.262 -6.337 226 HB2 SER 17 HB2 SER 17 3.980 -1.795 -3.907 227 HB3 SER 17 HB1 SER 17 3.744 -3.344 -4.720 228 HG SER 17 HG SER 17 4.979 -1.001 -5.750 229 H MET 18 HN MET 18 1.380 -0.320 -3.617 230 HA MET 18 HA MET 18 0.115 -2.478 -2.153 231 HB2 MET 18 HB2 MET 18 1.348 -0.710 -0.973 232 HB3 MET 18 HB1 MET 18 0.229 0.491 -1.602 233 HG2 MET 18 HG2 MET 18 -0.389 0.046 0.627 234 HG3 MET 18 HG1 MET 18 -1.601 -0.708 -0.406 235 HE1 MET 18 HE1 MET 18 -1.385 -3.146 2.676 236 HE2 MET 18 HE2 MET 18 -2.460 -2.171 1.676 237 HE3 MET 18 HE3 MET 18 -1.247 -1.387 2.688 238 H THR 19 HN THR 19 -0.848 0.319 -4.066 239 HA THR 19 HA THR 19 -3.455 0.598 -3.233 240 HB THR 19 HB THR 19 -3.860 1.445 -5.661 241 HG1 THR 19 HG1 THR 19 -1.042 1.641 -5.677 242 HG21 THR 19 HG21 THR 19 -2.742 3.552 -5.084 243 HG22 THR 19 HG22 THR 19 -1.843 2.724 -3.815 244 HG23 THR 19 HG23 THR 19 -3.596 2.874 -3.699 245 HA PRO 20 HA PRO 20 -5.112 -2.380 -6.517 246 HB2 PRO 20 HB2 PRO 20 -3.553 -4.052 -7.878 247 HB3 PRO 20 HB1 PRO 20 -3.673 -2.340 -8.316 248 HG2 PRO 20 HG2 PRO 20 -1.534 -3.739 -6.749 249 HG3 PRO 20 HG1 PRO 20 -1.366 -2.548 -8.053 250 HD2 PRO 20 HD2 PRO 20 -1.223 -1.938 -5.379 251 HD3 PRO 20 HD1 PRO 20 -1.693 -0.783 -6.639 252 H LEU 21 HN LEU 21 -3.099 -3.190 -3.996 253 HA LEU 21 HA LEU 21 -4.055 -5.947 -3.783 254 HB2 LEU 21 HB2 LEU 21 -2.318 -4.350 -1.897 255 HB3 LEU 21 HB1 LEU 21 -2.671 -6.061 -1.771 256 HG LEU 21 HG LEU 21 -1.066 -4.731 -3.952 257 HD11 LEU 21 HD11 LEU 21 -0.262 -6.603 -1.729 258 HD12 LEU 21 HD12 LEU 21 0.099 -4.878 -1.818 259 HD13 LEU 21 HD13 LEU 21 0.796 -5.986 -2.999 260 HD21 LEU 21 HD21 LEU 21 -0.613 -7.040 -4.701 261 HD22 LEU 21 HD22 LEU 21 -2.307 -6.586 -4.875 262 HD23 LEU 21 HD23 LEU 21 -1.806 -7.627 -3.544 263 H LEU 22 HN LEU 22 -4.857 -2.804 -2.871 264 HA LEU 22 HA LEU 22 -6.073 -3.309 -0.369 265 HB2 LEU 22 HB2 LEU 22 -6.427 -1.036 -2.314 266 HB3 LEU 22 HB1 LEU 22 -7.122 -1.073 -0.706 267 HG LEU 22 HG LEU 22 -4.158 -1.195 -1.273 268 HD11 LEU 22 HD11 LEU 22 -5.113 0.950 -1.966 269 HD12 LEU 22 HD12 LEU 22 -4.082 1.117 -0.547 270 HD13 LEU 22 HD13 LEU 22 -5.836 1.140 -0.367 271 HD21 LEU 22 HD21 LEU 22 -4.756 -2.223 0.834 272 HD22 LEU 22 HD22 LEU 22 -5.724 -0.816 1.276 273 HD23 LEU 22 HD23 LEU 22 -3.973 -0.670 1.127 274 HA PRO 23 HA PRO 23 -10.198 -3.187 -3.223 275 HB2 PRO 23 HB2 PRO 23 -8.827 -4.924 -5.245 276 HB3 PRO 23 HB1 PRO 23 -10.219 -3.855 -5.444 277 HG2 PRO 23 HG2 PRO 23 -7.895 -2.982 -6.230 278 HG3 PRO 23 HG1 PRO 23 -8.917 -1.921 -5.259 279 HD2 PRO 23 HD2 PRO 23 -6.519 -3.488 -4.414 280 HD3 PRO 23 HD1 PRO 23 -7.026 -1.853 -3.955 281 H ASP 24 HN ASP 24 -7.930 -5.918 -3.037 282 HA ASP 24 HA ASP 24 -9.923 -7.875 -2.569 283 HB2 ASP 24 HB2 ASP 24 -7.664 -8.529 -3.252 284 HB3 ASP 24 HB1 ASP 24 -7.002 -7.872 -1.752 285 H LEU 25 HN LEU 25 -7.654 -6.300 -0.336 286 HA LEU 25 HA LEU 25 -8.618 -7.426 2.013 287 HB2 LEU 25 HB2 LEU 25 -7.302 -4.738 1.630 288 HB3 LEU 25 HB1 LEU 25 -7.440 -5.599 3.148 289 HG LEU 25 HG LEU 25 -5.882 -6.555 0.749 290 HD11 LEU 25 HD11 LEU 25 -4.936 -5.403 3.369 291 HD12 LEU 25 HD12 LEU 25 -4.856 -4.608 1.796 292 HD13 LEU 25 HD13 LEU 25 -3.908 -6.064 2.097 293 HD21 LEU 25 HD21 LEU 25 -5.013 -8.254 2.289 294 HD22 LEU 25 HD22 LEU 25 -6.755 -8.401 2.066 295 HD23 LEU 25 HD23 LEU 25 -6.114 -7.676 3.539 296 H ILE 26 HN ILE 26 -9.613 -4.489 0.333 297 HA ILE 26 HA ILE 26 -11.250 -3.477 2.407 298 HB ILE 26 HB ILE 26 -11.587 -3.007 -0.558 299 HG12 ILE 26 HG12 ILE 26 -9.311 -2.451 0.147 300 HG13 ILE 26 HG11 ILE 26 -10.223 -0.988 -0.208 301 HG21 ILE 26 HG21 ILE 26 -13.521 -2.340 0.727 302 HG22 ILE 26 HG22 ILE 26 -12.655 -0.909 0.166 303 HG23 ILE 26 HG23 ILE 26 -12.502 -1.432 1.843 304 HD11 ILE 26 HD11 ILE 26 -9.653 -2.089 2.532 305 HD12 ILE 26 HD12 ILE 26 -10.558 -0.617 2.176 306 HD13 ILE 26 HD13 ILE 26 -8.846 -0.722 1.764 307 H CYS 27 HN CYS 27 -12.128 -5.256 -0.580 308 HA CYS 27 HA CYS 27 -14.869 -5.437 0.064 309 HB2 CYS 27 HB2 CYS 27 -13.847 -5.851 -2.228 310 HB3 CYS 27 HB1 CYS 27 -13.362 -7.433 -1.631 311 H LYS 28 HN LYS 28 -12.123 -7.577 0.665 312 HA LYS 28 HA LYS 28 -13.483 -9.738 1.770 313 HB2 LYS 28 HB2 LYS 28 -10.770 -8.588 2.424 314 HB3 LYS 28 HB1 LYS 28 -11.360 -10.090 3.110 315 HG2 LYS 28 HG2 LYS 28 -11.136 -9.616 0.157 316 HG3 LYS 28 HG1 LYS 28 -9.826 -10.284 1.130 317 HD2 LYS 28 HD2 LYS 28 -11.326 -12.113 1.831 318 HD3 LYS 28 HD1 LYS 28 -12.581 -11.459 0.774 319 HE2 LYS 28 HE2 LYS 28 -11.351 -13.304 -0.282 320 HE3 LYS 28 HE1 LYS 28 -11.168 -11.784 -1.158 321 HZ1 LYS 28 HZ1 LYS 28 -9.169 -12.766 0.801 322 HZ2 LYS 28 HZ2 LYS 28 -8.992 -11.505 -0.321 323 HZ3 LYS 28 HZ3 LYS 28 -9.087 -13.106 -0.853 324 H GLY 29 HN GLY 29 -12.458 -6.678 3.198 325 HA2 GLY 29 HA2 GLY 29 -13.051 -7.264 5.883 326 HA3 GLY 29 HA1 GLY 29 -12.972 -5.656 5.180 327 H PHE 30 HN PHE 30 -15.139 -6.345 3.233 328 HA PHE 30 HA PHE 30 -17.367 -5.831 5.035 329 HB2 PHE 30 HB2 PHE 30 -17.161 -5.801 2.019 330 HB3 PHE 30 HB1 PHE 30 -18.655 -5.490 2.897 331 HD1 PHE 30 HD1 PHE 30 -15.471 -4.147 1.829 332 HD2 PHE 30 HD2 PHE 30 -18.848 -3.487 4.326 333 HE1 PHE 30 HE1 PHE 30 -14.846 -1.781 2.044 334 HE2 PHE 30 HE2 PHE 30 -18.229 -1.117 4.544 335 HZ PHE 30 HZ PHE 30 -16.223 -0.261 3.404 336 H ILE 31 HN ILE 31 -16.025 -8.438 3.263 337 HA ILE 31 HA ILE 31 -18.471 -9.999 3.264 338 HB ILE 31 HB ILE 31 -15.659 -10.788 2.484 339 HG12 ILE 31 HG12 ILE 31 -18.043 -10.055 0.765 340 HG13 ILE 31 HG11 ILE 31 -16.637 -9.034 1.051 341 HG21 ILE 31 HG21 ILE 31 -16.703 -12.726 1.413 342 HG22 ILE 31 HG22 ILE 31 -18.272 -12.232 2.051 343 HG23 ILE 31 HG23 ILE 31 -16.984 -12.716 3.155 344 HD11 ILE 31 HD11 ILE 31 -16.524 -10.133 -1.114 345 HD12 ILE 31 HD12 ILE 31 -16.611 -11.709 -0.327 346 HD13 ILE 31 HD13 ILE 31 -15.215 -10.664 -0.059 347 H GLN 32 HN GLN 32 -15.376 -9.907 4.933 348 HA GLN 32 HA GLN 32 -15.897 -12.277 6.476 349 HB2 GLN 32 HB2 GLN 32 -13.731 -10.192 6.731 350 HB3 GLN 32 HB1 GLN 32 -13.761 -11.734 7.572 351 HG2 GLN 32 HG2 GLN 32 -13.689 -12.896 5.424 352 HG3 GLN 32 HG1 GLN 32 -13.629 -11.346 4.594 353 HE21 GLN 32 HE21 GLN 32 -11.868 -13.636 6.515 354 HE22 GLN 32 HE22 GLN 32 -10.309 -12.925 6.290 355 H ASP 33 HN ASP 33 -16.763 -9.034 6.734 356 HA ASP 33 HA ASP 33 -17.174 -9.183 9.630 357 HB2 ASP 33 HB2 ASP 33 -16.302 -7.068 8.570 358 HB3 ASP 33 HB1 ASP 33 -17.850 -6.907 7.757 359 HA PRO 34 HA PRO 34 -21.137 -10.933 8.841 360 HB2 PRO 34 HB2 PRO 34 -22.160 -10.711 11.324 361 HB3 PRO 34 HB1 PRO 34 -20.949 -11.907 10.886 362 HG2 PRO 34 HG2 PRO 34 -20.582 -9.273 12.227 363 HG3 PRO 34 HG1 PRO 34 -19.863 -10.841 12.636 364 HD2 PRO 34 HD2 PRO 34 -18.501 -8.969 11.269 365 HD3 PRO 34 HD1 PRO 34 -18.297 -10.699 10.942 366 H ASP 35 HN ASP 35 -20.934 -7.976 10.683 367 HA ASP 35 HA ASP 35 -23.632 -7.178 10.260 368 HB2 ASP 35 HB2 ASP 35 -21.187 -5.648 11.130 369 HB3 ASP 35 HB1 ASP 35 -22.772 -4.897 10.983 370 H LEU 36 HN LEU 36 -20.608 -6.504 8.596 371 HA LEU 36 HA LEU 36 -21.784 -4.586 6.825 372 HB2 LEU 36 HB2 LEU 36 -19.181 -6.097 6.616 373 HB3 LEU 36 HB1 LEU 36 -19.658 -4.782 5.566 374 HG LEU 36 HG LEU 36 -19.114 -4.590 8.529 375 HD11 LEU 36 HD11 LEU 36 -17.601 -3.514 6.156 376 HD12 LEU 36 HD12 LEU 36 -17.100 -4.848 7.194 377 HD13 LEU 36 HD13 LEU 36 -17.214 -3.217 7.850 378 HD21 LEU 36 HD21 LEU 36 -19.395 -2.163 8.198 379 HD22 LEU 36 HD22 LEU 36 -20.886 -3.059 7.913 380 HD23 LEU 36 HD23 LEU 36 -19.938 -2.468 6.548 381 H LYS 37 HN LYS 37 -21.215 -8.023 6.771 382 HA LYS 37 HA LYS 37 -21.578 -8.478 4.036 383 HB2 LYS 37 HB2 LYS 37 -20.732 -10.148 5.689 384 HB3 LYS 37 HB1 LYS 37 -22.364 -10.305 6.316 385 HG2 LYS 37 HG2 LYS 37 -21.779 -12.134 4.816 386 HG3 LYS 37 HG1 LYS 37 -23.126 -11.185 4.189 387 HD2 LYS 37 HD2 LYS 37 -21.744 -10.123 2.583 388 HD3 LYS 37 HD1 LYS 37 -20.274 -10.724 3.349 389 HE2 LYS 37 HE2 LYS 37 -20.820 -11.953 1.293 390 HE3 LYS 37 HE1 LYS 37 -20.829 -12.991 2.716 391 HZ1 LYS 37 HZ1 LYS 37 -23.218 -11.858 1.366 392 HZ2 LYS 37 HZ2 LYS 37 -23.250 -12.805 2.767 393 HZ3 LYS 37 HZ3 LYS 37 -22.706 -13.469 1.310 394 H LYS 38 HN LYS 38 -23.812 -7.758 6.570 395 HA LYS 38 HA LYS 38 -26.222 -8.559 5.384 396 HB2 LYS 38 HB2 LYS 38 -25.764 -6.124 7.114 397 HB3 LYS 38 HB1 LYS 38 -27.282 -6.983 6.885 398 HG2 LYS 38 HG2 LYS 38 -24.816 -7.978 8.281 399 HG3 LYS 38 HG1 LYS 38 -26.358 -7.545 9.019 400 HD2 LYS 38 HD2 LYS 38 -25.861 -9.843 7.126 401 HD3 LYS 38 HD1 LYS 38 -26.160 -9.962 8.858 402 HE2 LYS 38 HE2 LYS 38 -28.097 -8.935 6.783 403 HE3 LYS 38 HE1 LYS 38 -28.161 -10.507 7.573 404 HZ1 LYS 38 HZ1 LYS 38 -28.404 -9.301 9.709 405 HZ2 LYS 38 HZ2 LYS 38 -29.695 -9.071 8.646 406 HZ3 LYS 38 HZ3 LYS 38 -28.540 -7.854 8.845 407 H ARG 39 HN ARG 39 -24.416 -5.515 5.194 408 HA ARG 39 HA ARG 39 -26.334 -4.239 3.492 409 HB2 ARG 39 HB2 ARG 39 -24.813 -3.005 5.034 410 HB3 ARG 39 HB1 ARG 39 -23.452 -3.491 4.038 411 HG2 ARG 39 HG2 ARG 39 -24.086 -1.222 3.533 412 HG3 ARG 39 HG1 ARG 39 -24.416 -2.259 2.145 413 HD2 ARG 39 HD2 ARG 39 -26.236 -0.678 2.545 414 HD3 ARG 39 HD1 ARG 39 -26.770 -2.344 2.747 415 HE ARG 39 HE ARG 39 -26.132 -1.627 5.264 416 HH11 ARG 39 HH11 ARG 39 -28.088 -0.075 2.815 417 HH12 ARG 39 HH12 ARG 39 -29.172 0.651 3.959 418 HH21 ARG 39 HH21 ARG 39 -27.551 -0.669 6.774 419 HH22 ARG 39 HH22 ARG 39 -28.855 0.325 6.209 420 H PHE 40 HN PHE 40 -23.336 -5.973 3.112 421 HA PHE 40 HA PHE 40 -22.850 -5.613 0.386 422 HB2 PHE 40 HB2 PHE 40 -21.397 -6.723 2.159 423 HB3 PHE 40 HB1 PHE 40 -22.392 -8.153 1.952 424 HD1 PHE 40 HD1 PHE 40 -21.856 -9.724 0.339 425 HD2 PHE 40 HD2 PHE 40 -20.199 -5.815 0.081 426 HE1 PHE 40 HE1 PHE 40 -20.386 -10.474 -1.483 427 HE2 PHE 40 HE2 PHE 40 -18.728 -6.556 -1.746 428 HZ PHE 40 HZ PHE 40 -18.819 -8.888 -2.529 429 H ASP 41 HN ASP 41 -24.949 -7.825 2.124 430 HA ASP 41 HA ASP 41 -25.816 -9.319 -0.148 431 HB2 ASP 41 HB2 ASP 41 -25.901 -10.191 2.164 432 HB3 ASP 41 HB1 ASP 41 -27.111 -8.980 2.569 433 H GLU 42 HN GLU 42 -27.136 -6.602 1.691 434 HA GLU 42 HA GLU 42 -29.632 -6.385 0.491 435 HB2 GLU 42 HB2 GLU 42 -27.824 -4.236 1.602 436 HB3 GLU 42 HB1 GLU 42 -29.502 -3.975 1.158 437 HG2 GLU 42 HG2 GLU 42 -28.592 -5.959 3.224 438 HG3 GLU 42 HG1 GLU 42 -29.135 -4.320 3.581 439 H ILE 43 HN ILE 43 -26.496 -5.310 -0.658 440 HA ILE 43 HA ILE 43 -27.744 -3.795 -2.820 441 HB ILE 43 HB ILE 43 -24.790 -4.133 -2.277 442 HG12 ILE 43 HG12 ILE 43 -25.871 -3.156 -0.308 443 HG13 ILE 43 HG11 ILE 43 -24.894 -1.955 -1.143 444 HG21 ILE 43 HG21 ILE 43 -25.301 -3.352 -4.519 445 HG22 ILE 43 HG22 ILE 43 -24.580 -2.054 -3.566 446 HG23 ILE 43 HG23 ILE 43 -26.318 -2.072 -3.858 447 HD11 ILE 43 HD11 ILE 43 -26.960 -0.967 -0.416 448 HD12 ILE 43 HD12 ILE 43 -27.887 -2.219 -1.243 449 HD13 ILE 43 HD13 ILE 43 -26.944 -1.059 -2.178 450 H LYS 44 HN LYS 44 -26.776 -6.918 -2.240 451 HA LYS 44 HA LYS 44 -26.353 -8.763 -3.484 452 HB2 LYS 44 HB2 LYS 44 -27.646 -7.076 -5.631 453 HB3 LYS 44 HB1 LYS 44 -27.209 -8.757 -5.861 454 HG2 LYS 44 HG2 LYS 44 -29.475 -8.827 -5.357 455 HG3 LYS 44 HG1 LYS 44 -28.692 -9.239 -3.834 456 HD2 LYS 44 HD2 LYS 44 -30.501 -7.690 -3.430 457 HD3 LYS 44 HD1 LYS 44 -28.960 -6.900 -3.097 458 HE2 LYS 44 HE2 LYS 44 -30.476 -5.418 -4.312 459 HE3 LYS 44 HE1 LYS 44 -29.047 -5.793 -5.268 460 HZ1 LYS 44 HZ1 LYS 44 -31.679 -7.131 -5.567 461 HZ2 LYS 44 HZ2 LYS 44 -30.315 -7.375 -6.538 462 HZ3 LYS 44 HZ3 LYS 44 -31.113 -5.883 -6.558 463 H MET 45 HN MET 45 -24.276 -6.879 -3.165 464 HA MET 45 HA MET 45 -22.953 -6.573 -5.727 465 HB2 MET 45 HB2 MET 45 -22.938 -4.729 -4.119 466 HB3 MET 45 HB1 MET 45 -22.138 -5.751 -2.936 467 HG2 MET 45 HG2 MET 45 -20.143 -5.814 -4.220 468 HG3 MET 45 HG1 MET 45 -20.934 -5.050 -5.596 469 HE1 MET 45 HE1 MET 45 -20.002 -4.566 -1.817 470 HE2 MET 45 HE2 MET 45 -21.656 -3.963 -1.921 471 HE3 MET 45 HE3 MET 45 -20.329 -2.847 -1.601 472 H THR 46 HN THR 46 -20.794 -7.368 -6.127 473 HA THR 46 HA THR 46 -20.163 -9.791 -4.579 474 HB THR 46 HB THR 46 -19.198 -10.720 -6.668 475 HG1 THR 46 HG1 THR 46 -20.444 -9.215 -8.471 476 HG21 THR 46 HG21 THR 46 -21.484 -11.312 -6.027 477 HG22 THR 46 HG22 THR 46 -21.325 -11.220 -7.781 478 HG23 THR 46 HG23 THR 46 -22.096 -9.904 -6.896 479 H TYR 47 HN TYR 47 -17.843 -10.439 -4.732 480 HA TYR 47 HA TYR 47 -16.077 -8.419 -3.946 481 HB2 TYR 47 HB2 TYR 47 -15.650 -10.734 -3.397 482 HB3 TYR 47 HB1 TYR 47 -15.563 -11.172 -5.098 483 HD1 TYR 47 HD1 TYR 47 -13.761 -9.710 -2.268 484 HD2 TYR 47 HD2 TYR 47 -13.602 -10.616 -6.428 485 HE1 TYR 47 HE1 TYR 47 -11.324 -9.383 -2.248 486 HE2 TYR 47 HE2 TYR 47 -11.173 -10.289 -6.415 487 HH TYR 47 HH TYR 47 -9.366 -10.013 -3.522 488 H GLU 48 HN GLU 48 -16.637 -9.874 -7.123 489 HA GLU 48 HA GLU 48 -14.499 -8.639 -8.465 490 HB2 GLU 48 HB2 GLU 48 -17.130 -9.668 -9.521 491 HB3 GLU 48 HB1 GLU 48 -15.795 -9.148 -10.538 492 HG2 GLU 48 HG2 GLU 48 -14.379 -10.878 -9.451 493 HG3 GLU 48 HG1 GLU 48 -15.821 -11.455 -8.613 494 H GLN 49 HN GLN 49 -17.679 -7.512 -7.615 495 HA GLN 49 HA GLN 49 -17.666 -5.214 -9.307 496 HB2 GLN 49 HB2 GLN 49 -19.747 -6.103 -8.345 497 HB3 GLN 49 HB1 GLN 49 -19.162 -5.742 -6.728 498 HG2 GLN 49 HG2 GLN 49 -20.691 -4.034 -7.318 499 HG3 GLN 49 HG1 GLN 49 -19.077 -3.332 -7.388 500 HE21 GLN 49 HE21 GLN 49 -21.841 -4.352 -9.203 501 HE22 GLN 49 HE22 GLN 49 -21.389 -3.604 -10.696 502 H CYS 50 HN CYS 50 -16.832 -5.834 -5.930 503 HA CYS 50 HA CYS 50 -16.227 -3.275 -5.087 504 HB2 CYS 50 HB2 CYS 50 -14.712 -5.757 -4.292 505 HB3 CYS 50 HB1 CYS 50 -14.891 -4.281 -3.355 506 H VAL 51 HN VAL 51 -14.113 -5.590 -6.776 507 HA VAL 51 HA VAL 51 -11.785 -4.040 -6.314 508 HB VAL 51 HB VAL 51 -10.676 -5.519 -7.995 509 HG11 VAL 51 HG11 VAL 51 -10.822 -7.539 -6.587 510 HG12 VAL 51 HG12 VAL 51 -12.217 -6.840 -5.764 511 HG13 VAL 51 HG13 VAL 51 -10.638 -6.062 -5.640 512 HG21 VAL 51 HG21 VAL 51 -11.911 -7.501 -8.766 513 HG22 VAL 51 HG22 VAL 51 -12.576 -6.005 -9.420 514 HG23 VAL 51 HG23 VAL 51 -13.393 -6.824 -8.090 515 H THR 52 HN THR 52 -14.273 -3.649 -8.609 516 HA THR 52 HA THR 52 -12.529 -2.073 -10.337 517 HB THR 52 HB THR 52 -14.523 -3.545 -11.151 518 HG1 THR 52 HG1 THR 52 -13.402 -2.255 -12.594 519 HG21 THR 52 HG21 THR 52 -15.976 -0.999 -10.449 520 HG22 THR 52 HG22 THR 52 -16.229 -2.572 -9.694 521 HG23 THR 52 HG23 THR 52 -16.629 -2.335 -11.395 522 H LEU 53 HN LEU 53 -14.380 -1.711 -7.549 523 HA LEU 53 HA LEU 53 -14.997 1.109 -8.011 524 HB2 LEU 53 HB2 LEU 53 -15.702 -0.610 -5.637 525 HB3 LEU 53 HB1 LEU 53 -16.356 0.971 -6.020 526 HG LEU 53 HG LEU 53 -16.814 -1.577 -7.561 527 HD11 LEU 53 HD11 LEU 53 -18.602 0.093 -5.813 528 HD12 LEU 53 HD12 LEU 53 -18.087 -1.573 -5.545 529 HD13 LEU 53 HD13 LEU 53 -19.175 -1.189 -6.877 530 HD21 LEU 53 HD21 LEU 53 -16.709 0.277 -9.095 531 HD22 LEU 53 HD22 LEU 53 -17.826 1.205 -8.092 532 HD23 LEU 53 HD23 LEU 53 -18.379 -0.258 -8.909 533 H ILE 54 HN ILE 54 -12.975 -0.977 -6.079 534 HA ILE 54 HA ILE 54 -12.272 0.918 -4.119 535 HB ILE 54 HB ILE 54 -10.773 -1.562 -4.949 536 HG12 ILE 54 HG12 ILE 54 -13.021 -2.078 -4.203 537 HG13 ILE 54 HG11 ILE 54 -11.887 -2.530 -2.936 538 HG21 ILE 54 HG21 ILE 54 -9.258 -0.175 -3.754 539 HG22 ILE 54 HG22 ILE 54 -9.847 -1.375 -2.603 540 HG23 ILE 54 HG23 ILE 54 -10.489 0.265 -2.575 541 HD11 ILE 54 HD11 ILE 54 -13.637 -0.095 -3.012 542 HD12 ILE 54 HD12 ILE 54 -12.402 -0.402 -1.792 543 HD13 ILE 54 HD13 ILE 54 -13.784 -1.489 -1.942 544 HA PRO 55 HA PRO 55 -8.212 1.546 -6.969 545 HB2 PRO 55 HB2 PRO 55 -9.813 1.540 -9.485 546 HB3 PRO 55 HB1 PRO 55 -8.129 1.080 -9.224 547 HG2 PRO 55 HG2 PRO 55 -9.985 -0.789 -9.524 548 HG3 PRO 55 HG1 PRO 55 -8.696 -0.985 -8.322 549 HD2 PRO 55 HD2 PRO 55 -11.562 -0.251 -7.928 550 HD3 PRO 55 HD1 PRO 55 -10.503 -1.248 -6.914 551 H GLU 56 HN GLU 56 -11.461 2.693 -7.189 552 HA GLU 56 HA GLU 56 -10.859 5.320 -8.146 553 HB2 GLU 56 HB2 GLU 56 -13.226 4.291 -6.570 554 HB3 GLU 56 HB1 GLU 56 -13.135 5.870 -7.335 555 HG2 GLU 56 HG2 GLU 56 -13.010 3.232 -8.778 556 HG3 GLU 56 HG1 GLU 56 -14.444 4.248 -8.631 557 H SER 57 HN SER 57 -11.419 3.884 -4.951 558 HA SER 57 HA SER 57 -10.956 6.378 -3.590 559 HB2 SER 57 HB2 SER 57 -12.528 4.568 -2.747 560 HB3 SER 57 HB1 SER 57 -11.098 3.631 -2.345 561 HG SER 57 HG SER 57 -12.112 5.951 -1.187 562 H THR 58 HN THR 58 -9.089 3.555 -4.490 563 HA THR 58 HA THR 58 -6.974 3.773 -2.685 564 HB THR 58 HB THR 58 -5.539 2.714 -4.411 565 HG1 THR 58 HG1 THR 58 -6.077 3.093 -6.406 566 HG21 THR 58 HG21 THR 58 -6.782 0.632 -4.623 567 HG22 THR 58 HG22 THR 58 -8.277 1.472 -4.204 568 HG23 THR 58 HG23 THR 58 -6.989 1.320 -3.010 569 H LYS 59 HN LYS 59 -7.416 5.321 -5.845 570 HA LYS 59 HA LYS 59 -5.005 6.802 -5.767 571 HB2 LYS 59 HB2 LYS 59 -6.365 6.293 -7.821 572 HB3 LYS 59 HB1 LYS 59 -7.533 7.484 -7.273 573 HG2 LYS 59 HG2 LYS 59 -6.137 8.510 -8.908 574 HG3 LYS 59 HG1 LYS 59 -5.731 9.195 -7.334 575 HD2 LYS 59 HD2 LYS 59 -3.696 8.754 -8.538 576 HD3 LYS 59 HD1 LYS 59 -3.817 7.621 -7.195 577 HE2 LYS 59 HE2 LYS 59 -3.053 6.476 -9.195 578 HE3 LYS 59 HE1 LYS 59 -4.654 5.902 -8.740 579 HZ1 LYS 59 HZ1 LYS 59 -4.077 7.892 -10.865 580 HZ2 LYS 59 HZ2 LYS 59 -5.613 7.328 -10.434 581 HZ3 LYS 59 HZ3 LYS 59 -4.486 6.269 -11.116 582 H LYS 60 HN LYS 60 -8.318 7.487 -4.794 583 HA LYS 60 HA LYS 60 -8.045 10.205 -4.185 584 HB2 LYS 60 HB2 LYS 60 -10.230 9.195 -4.314 585 HB3 LYS 60 HB1 LYS 60 -9.849 8.083 -3.009 586 HG2 LYS 60 HG2 LYS 60 -9.708 9.982 -1.455 587 HG3 LYS 60 HG1 LYS 60 -10.145 11.068 -2.771 588 HD2 LYS 60 HD2 LYS 60 -11.857 8.771 -1.833 589 HD3 LYS 60 HD1 LYS 60 -12.049 10.436 -1.279 590 HE2 LYS 60 HE2 LYS 60 -12.254 9.509 -4.139 591 HE3 LYS 60 HE1 LYS 60 -13.621 9.847 -3.081 592 HZ1 LYS 60 HZ1 LYS 60 -13.182 11.719 -4.510 593 HZ2 LYS 60 HZ2 LYS 60 -11.577 11.804 -3.984 594 HZ3 LYS 60 HZ3 LYS 60 -12.837 12.145 -2.913 595 H CYS 61 HN CYS 61 -7.947 7.422 -1.963 596 HA CYS 61 HA CYS 61 -7.105 8.984 0.251 597 HB2 CYS 61 HB2 CYS 61 -7.014 5.994 -0.179 598 HB3 CYS 61 HB1 CYS 61 -6.808 6.808 1.371 599 H GLN 62 HN GLN 62 -5.419 7.347 -2.300 600 HA GLN 62 HA GLN 62 -2.864 7.127 -1.215 601 HB2 GLN 62 HB2 GLN 62 -3.449 6.219 -3.405 602 HB3 GLN 62 HB1 GLN 62 -3.689 7.840 -4.036 603 HG2 GLN 62 HG2 GLN 62 -1.339 8.327 -3.766 604 HG3 GLN 62 HG1 GLN 62 -1.075 6.740 -3.041 605 HE21 GLN 62 HE21 GLN 62 0.084 7.942 -5.449 606 HE22 GLN 62 HE22 GLN 62 -0.279 6.852 -6.741 607 H ASP 63 HN ASP 63 -4.204 9.807 -3.141 608 HA ASP 63 HA ASP 63 -2.009 11.528 -2.814 609 HB2 ASP 63 HB2 ASP 63 -3.726 11.827 -4.558 610 HB3 ASP 63 HB1 ASP 63 -4.901 12.258 -3.319 611 H GLU 64 HN GLU 64 -4.779 10.892 -0.809 612 HA GLU 64 HA GLU 64 -4.777 13.161 0.831 613 HB2 GLU 64 HB2 GLU 64 -5.471 10.285 1.493 614 HB3 GLU 64 HB1 GLU 64 -5.820 11.659 2.532 615 HG2 GLU 64 HG2 GLU 64 -6.930 11.179 -0.223 616 HG3 GLU 64 HG1 GLU 64 -7.795 11.030 1.307 617 H LEU 65 HN LEU 65 -3.295 10.021 1.342 618 HA LEU 65 HA LEU 65 -1.966 10.949 3.725 619 HB2 LEU 65 HB2 LEU 65 -1.881 8.251 2.384 620 HB3 LEU 65 HB1 LEU 65 -1.395 8.623 4.031 621 HG LEU 65 HG LEU 65 -4.208 9.077 3.062 622 HD11 LEU 65 HD11 LEU 65 -4.805 6.953 4.083 623 HD12 LEU 65 HD12 LEU 65 -3.096 6.603 4.358 624 HD13 LEU 65 HD13 LEU 65 -3.718 6.747 2.713 625 HD21 LEU 65 HD21 LEU 65 -4.731 8.994 5.440 626 HD22 LEU 65 HD22 LEU 65 -3.535 10.244 5.099 627 HD23 LEU 65 HD23 LEU 65 -3.032 8.713 5.813 628 H TYR 66 HN TYR 66 -1.149 10.230 0.410 629 HA TYR 66 HA TYR 66 1.590 9.894 0.487 630 HB2 TYR 66 HB2 TYR 66 0.367 9.684 -1.568 631 HB3 TYR 66 HB1 TYR 66 -0.136 11.364 -1.512 632 HD1 TYR 66 HD1 TYR 66 1.236 13.076 -2.423 633 HD2 TYR 66 HD2 TYR 66 2.755 9.122 -2.042 634 HE1 TYR 66 HE1 TYR 66 3.147 13.677 -3.846 635 HE2 TYR 66 HE2 TYR 66 4.673 9.716 -3.457 636 HH TYR 66 HH TYR 66 5.395 12.952 -4.323 637 H ALA 67 HN ALA 67 -0.253 12.861 0.844 638 HA ALA 67 HA ALA 67 1.942 14.644 0.636 639 HB1 ALA 67 HB1 ALA 67 -0.707 15.054 2.015 640 HB2 ALA 67 HB2 ALA 67 -0.379 15.355 0.309 641 HB3 ALA 67 HB3 ALA 67 0.429 16.318 1.546 642 H SER 68 HN SER 68 0.853 12.587 3.171 643 HA SER 68 HA SER 68 2.426 14.082 5.159 644 HB2 SER 68 HB2 SER 68 0.418 11.873 5.650 645 HB3 SER 68 HB1 SER 68 1.140 12.943 6.855 646 HG SER 68 HG SER 68 0.114 14.697 5.626 647 H MET 69 HN MET 69 2.245 11.143 3.374 648 HA MET 69 HA MET 69 3.686 9.371 4.963 649 HB2 MET 69 HB2 MET 69 3.472 9.629 1.965 650 HB3 MET 69 HB1 MET 69 4.287 8.290 2.755 651 HG2 MET 69 HG2 MET 69 2.258 7.570 3.781 652 HG3 MET 69 HG1 MET 69 1.410 9.013 3.230 653 HE1 MET 69 HE1 MET 69 2.904 5.666 0.435 654 HE2 MET 69 HE2 MET 69 3.027 5.597 2.193 655 HE3 MET 69 HE3 MET 69 3.984 6.769 1.285 656 HA PRO 70 HA PRO 70 7.868 10.882 4.844 657 HB2 PRO 70 HB2 PRO 70 9.160 8.544 5.344 658 HB3 PRO 70 HB1 PRO 70 8.299 9.448 6.595 659 HG2 PRO 70 HG2 PRO 70 7.396 7.075 5.005 660 HG3 PRO 70 HG1 PRO 70 7.227 7.387 6.745 661 HD2 PRO 70 HD2 PRO 70 5.193 7.782 5.018 662 HD3 PRO 70 HD1 PRO 70 5.431 8.809 6.446 663 H ASP 71 HN ASP 71 10.012 10.251 3.744 664 HA ASP 71 HA ASP 71 9.609 10.181 0.979 665 HB2 ASP 71 HB2 ASP 71 11.659 11.073 2.089 666 HB3 ASP 71 HB1 ASP 71 12.149 9.413 2.430 667 H LYS 72 HN LYS 72 10.763 7.635 3.153 668 HA LYS 72 HA LYS 72 10.095 5.695 1.056 669 HB2 LYS 72 HB2 LYS 72 12.199 5.443 3.199 670 HB3 LYS 72 HB1 LYS 72 11.811 4.220 2.001 671 HG2 LYS 72 HG2 LYS 72 12.487 5.821 0.232 672 HG3 LYS 72 HG1 LYS 72 13.002 6.936 1.498 673 HD2 LYS 72 HD2 LYS 72 14.590 5.301 2.327 674 HD3 LYS 72 HD1 LYS 72 14.046 4.130 1.126 675 HE2 LYS 72 HE2 LYS 72 14.805 5.626 -0.660 676 HE3 LYS 72 HE1 LYS 72 15.364 6.780 0.551 677 HZ1 LYS 72 HZ1 LYS 72 17.181 5.432 -0.254 678 HZ2 LYS 72 HZ2 LYS 72 16.371 4.014 0.185 679 HZ3 LYS 72 HZ3 LYS 72 16.892 5.091 1.378 680 H ILE 73 HN ILE 73 9.575 3.515 1.923 681 HA ILE 73 HA ILE 73 7.915 3.780 4.339 682 HB ILE 73 HB ILE 73 7.180 2.421 1.743 683 HG12 ILE 73 HG12 ILE 73 6.955 4.874 1.709 684 HG13 ILE 73 HG11 ILE 73 5.389 4.077 1.620 685 HG21 ILE 73 HG21 ILE 73 5.028 1.922 2.825 686 HG22 ILE 73 HG22 ILE 73 5.654 2.571 4.342 687 HG23 ILE 73 HG23 ILE 73 6.376 1.125 3.635 688 HD11 ILE 73 HD11 ILE 73 6.602 5.336 4.068 689 HD12 ILE 73 HD12 ILE 73 5.039 4.524 3.998 690 HD13 ILE 73 HD13 ILE 73 5.305 6.006 3.080 691 H ASN 74 HN ASN 74 8.842 2.520 5.795 692 HA ASN 74 HA ASN 74 10.247 0.106 5.080 693 HB2 ASN 74 HB2 ASN 74 10.962 1.671 6.912 694 HB3 ASN 74 HB1 ASN 74 9.551 1.159 7.833 695 HD21 ASN 74 HD21 ASN 74 12.650 0.254 6.575 696 HD22 ASN 74 HD22 ASN 74 12.858 -1.165 7.550 697 H SER 75 HN SER 75 9.690 -1.963 6.338 698 HA SER 75 HA SER 75 7.253 -2.921 5.487 699 HB2 SER 75 HB2 SER 75 7.693 -4.747 7.271 700 HB3 SER 75 HB1 SER 75 8.882 -4.526 5.985 701 HG SER 75 HG SER 75 9.233 -4.333 8.622 702 H GLU 76 HN GLU 76 8.083 -1.818 8.772 703 HA GLU 76 HA GLU 76 5.504 -2.269 9.854 704 HB2 GLU 76 HB2 GLU 76 7.493 -2.056 11.263 705 HB3 GLU 76 HB1 GLU 76 7.683 -0.382 10.761 706 HG2 GLU 76 HG2 GLU 76 5.560 0.182 11.813 707 HG3 GLU 76 HG1 GLU 76 5.356 -1.496 12.309 708 H THR 77 HN THR 77 7.022 0.492 8.297 709 HA THR 77 HA THR 77 5.058 2.432 8.887 710 HB THR 77 HB THR 77 6.726 2.411 6.370 711 HG1 THR 77 HG1 THR 77 8.253 3.590 7.910 712 HG21 THR 77 HG21 THR 77 5.123 4.244 6.628 713 HG22 THR 77 HG22 THR 77 6.780 4.836 6.737 714 HG23 THR 77 HG23 THR 77 5.815 4.637 8.201 715 H ALA 78 HN ALA 78 5.405 0.009 6.405 716 HA ALA 78 HA ALA 78 3.456 0.811 4.581 717 HB1 ALA 78 HB1 ALA 78 4.329 -1.973 5.344 718 HB2 ALA 78 HB2 ALA 78 5.065 -0.946 4.115 719 HB3 ALA 78 HB3 ALA 78 3.424 -1.551 3.891 720 H GLY 79 HN GLY 79 3.182 -1.181 7.499 721 HA2 GLY 79 HA2 GLY 79 0.438 -1.818 7.169 722 HA3 GLY 79 HA1 GLY 79 1.346 -1.917 8.670 723 H THR 80 HN THR 80 2.111 0.887 8.621 724 HA THR 80 HA THR 80 -0.011 1.983 10.097 725 HB THR 80 HB THR 80 2.229 3.507 8.753 726 HG1 THR 80 HG1 THR 80 2.211 1.697 10.852 727 HG21 THR 80 HG21 THR 80 1.963 5.051 10.645 728 HG22 THR 80 HG22 THR 80 0.623 4.077 11.250 729 HG23 THR 80 HG23 THR 80 0.473 4.922 9.708 730 H TRP 81 HN TRP 81 1.145 2.755 6.813 731 HA TRP 81 HA TRP 81 -1.071 4.553 6.402 732 HB2 TRP 81 HB2 TRP 81 1.096 3.627 4.508 733 HB3 TRP 81 HB1 TRP 81 -0.086 4.888 4.156 734 HD1 TRP 81 HD1 TRP 81 3.252 4.367 5.738 735 HE1 TRP 81 HE1 TRP 81 4.064 6.554 6.837 736 HE3 TRP 81 HE3 TRP 81 -1.088 7.051 5.497 737 HZ2 TRP 81 HZ2 TRP 81 3.002 9.081 7.497 738 HZ3 TRP 81 HZ3 TRP 81 -1.108 9.345 6.384 739 HH2 TRP 81 HH2 TRP 81 0.896 10.338 7.365 740 H GLY 82 HN GLY 82 -0.293 1.253 5.660 741 HA2 GLY 82 HA2 GLY 82 -2.168 0.779 3.619 742 HA3 GLY 82 HA1 GLY 82 -1.544 -0.430 4.732 743 H ARG 83 HN ARG 83 -2.485 0.563 7.152 744 HA ARG 83 HA ARG 83 -5.198 -0.273 7.089 745 HB2 ARG 83 HB2 ARG 83 -5.231 0.077 9.444 746 HB3 ARG 83 HB1 ARG 83 -3.623 -0.514 9.059 747 HG2 ARG 83 HG2 ARG 83 -2.774 1.790 9.143 748 HG3 ARG 83 HG1 ARG 83 -4.388 2.347 9.586 749 HD2 ARG 83 HD2 ARG 83 -4.274 0.852 11.580 750 HD3 ARG 83 HD1 ARG 83 -2.595 0.511 11.161 751 HE ARG 83 HE ARG 83 -3.579 3.227 11.775 752 HH11 ARG 83 HH11 ARG 83 -1.183 0.688 12.094 753 HH12 ARG 83 HH12 ARG 83 -0.117 1.642 13.070 754 HH21 ARG 83 HH21 ARG 83 -2.179 4.486 13.060 755 HH22 ARG 83 HH22 ARG 83 -0.685 3.809 13.628 756 H SER 84 HN SER 84 -3.591 2.847 7.138 757 HA SER 84 HA SER 84 -5.858 4.433 7.687 758 HB2 SER 84 HB2 SER 84 -3.501 5.224 7.885 759 HB3 SER 84 HB1 SER 84 -3.382 5.214 6.126 760 HG SER 84 HG SER 84 -4.201 7.179 7.601 761 H LEU 85 HN LEU 85 -4.342 3.395 4.649 762 HA LEU 85 HA LEU 85 -6.177 4.603 2.898 763 HB2 LEU 85 HB2 LEU 85 -4.568 2.062 2.622 764 HB3 LEU 85 HB1 LEU 85 -5.501 2.765 1.315 765 HG LEU 85 HG LEU 85 -3.271 4.244 2.711 766 HD11 LEU 85 HD11 LEU 85 -2.424 2.176 1.665 767 HD12 LEU 85 HD12 LEU 85 -1.837 3.635 0.868 768 HD13 LEU 85 HD13 LEU 85 -3.131 2.689 0.133 769 HD21 LEU 85 HD21 LEU 85 -4.618 4.665 0.042 770 HD22 LEU 85 HD22 LEU 85 -3.329 5.654 0.730 771 HD23 LEU 85 HD23 LEU 85 -4.916 5.615 1.497 772 H GLY 86 HN GLY 86 -6.174 1.473 4.528 773 HA2 GLY 86 HA2 GLY 86 -8.413 0.347 3.302 774 HA3 GLY 86 HA1 GLY 86 -7.819 -0.071 4.898 775 H GLU 87 HN GLU 87 -8.271 2.156 6.373 776 HA GLU 87 HA GLU 87 -11.063 1.958 6.832 777 HB2 GLU 87 HB2 GLU 87 -10.644 3.757 8.535 778 HB3 GLU 87 HB1 GLU 87 -9.640 2.325 8.706 779 HG2 GLU 87 HG2 GLU 87 -7.826 3.535 7.511 780 HG3 GLU 87 HG1 GLU 87 -8.835 4.978 7.551 781 H CYS 88 HN CYS 88 -9.057 4.294 5.172 782 HA CYS 88 HA CYS 88 -11.021 6.321 4.895 783 HB2 CYS 88 HB2 CYS 88 -8.645 6.792 4.612 784 HB3 CYS 88 HB1 CYS 88 -8.566 5.691 3.240 785 H ILE 89 HN ILE 89 -9.824 3.860 2.627 786 HA ILE 89 HA ILE 89 -11.619 4.310 0.524 787 HB ILE 89 HB ILE 89 -10.237 1.778 1.422 788 HG12 ILE 89 HG12 ILE 89 -9.604 3.668 -0.854 789 HG13 ILE 89 HG11 ILE 89 -8.816 3.724 0.720 790 HG21 ILE 89 HG21 ILE 89 -11.707 2.327 -1.149 791 HG22 ILE 89 HG22 ILE 89 -12.191 1.200 0.115 792 HG23 ILE 89 HG23 ILE 89 -10.723 0.904 -0.816 793 HD11 ILE 89 HD11 ILE 89 -8.743 1.430 -1.222 794 HD12 ILE 89 HD12 ILE 89 -7.975 1.461 0.365 795 HD13 ILE 89 HD13 ILE 89 -7.441 2.573 -0.896 796 H GLY 90 HN GLY 90 -11.896 2.242 3.395 797 HA2 GLY 90 HA2 GLY 90 -14.222 0.857 2.729 798 HA3 GLY 90 HA1 GLY 90 -13.702 1.221 4.364 799 H LYS 91 HN LYS 91 -13.827 4.115 3.915 800 HA LYS 91 HA LYS 91 -16.599 4.511 4.563 801 HB2 LYS 91 HB2 LYS 91 -14.377 6.504 4.072 802 HB3 LYS 91 HB1 LYS 91 -15.963 6.900 4.709 803 HG2 LYS 91 HG2 LYS 91 -15.542 5.634 6.703 804 HG3 LYS 91 HG1 LYS 91 -14.013 5.043 6.047 805 HD2 LYS 91 HD2 LYS 91 -13.569 6.838 7.595 806 HD3 LYS 91 HD1 LYS 91 -13.196 7.374 5.955 807 HE2 LYS 91 HE2 LYS 91 -14.376 9.102 7.225 808 HE3 LYS 91 HE1 LYS 91 -15.314 8.559 5.838 809 HZ1 LYS 91 HZ1 LYS 91 -16.616 8.825 7.913 810 HZ2 LYS 91 HZ2 LYS 91 -15.730 7.563 8.601 811 HZ3 LYS 91 HZ3 LYS 91 -16.708 7.273 7.253 812 H ASP 92 HN ASP 92 -14.459 5.314 1.880 813 HA ASP 92 HA ASP 92 -16.402 6.856 0.469 814 HB2 ASP 92 HB2 ASP 92 -14.034 7.287 0.158 815 HB3 ASP 92 HB1 ASP 92 -13.781 5.646 -0.428 816 H PHE 93 HN PHE 93 -15.190 3.560 0.227 817 HA PHE 93 HA PHE 93 -16.644 2.754 -2.035 818 HB2 PHE 93 HB2 PHE 93 -14.843 1.392 -1.211 819 HB3 PHE 93 HB1 PHE 93 -15.631 1.197 0.350 820 HD1 PHE 93 HD1 PHE 93 -15.859 0.331 -3.232 821 HD2 PHE 93 HD2 PHE 93 -17.167 -0.539 0.721 822 HE1 PHE 93 HE1 PHE 93 -16.899 -1.743 -4.034 823 HE2 PHE 93 HE2 PHE 93 -18.214 -2.617 -0.076 824 HZ PHE 93 HZ PHE 93 -18.075 -3.221 -2.459 825 H ALA 94 HN ALA 94 -17.480 2.831 1.391 826 HA ALA 94 HA ALA 94 -19.928 1.470 1.230 827 HB1 ALA 94 HB1 ALA 94 -20.484 2.564 3.348 828 HB2 ALA 94 HB2 ALA 94 -19.121 3.665 3.139 829 HB3 ALA 94 HB3 ALA 94 -18.836 1.938 3.362 830 H GLU 95 HN GLU 95 -19.234 4.957 1.157 831 HA GLU 95 HA GLU 95 -21.868 5.779 0.696 832 HB2 GLU 95 HB2 GLU 95 -19.260 7.118 -0.001 833 HB3 GLU 95 HB1 GLU 95 -20.835 7.900 -0.097 834 HG2 GLU 95 HG2 GLU 95 -21.141 7.411 2.325 835 HG3 GLU 95 HG1 GLU 95 -19.476 6.842 2.362 836 H LYS 96 HN LYS 96 -19.427 4.577 -1.481 837 HA LYS 96 HA LYS 96 -20.614 5.477 -3.887 838 HB2 LYS 96 HB2 LYS 96 -18.697 3.246 -3.268 839 HB3 LYS 96 HB1 LYS 96 -19.308 3.508 -4.893 840 HG2 LYS 96 HG2 LYS 96 -18.395 5.815 -4.798 841 HG3 LYS 96 HG1 LYS 96 -17.669 5.408 -3.239 842 HD2 LYS 96 HD2 LYS 96 -16.398 3.612 -4.282 843 HD3 LYS 96 HD1 LYS 96 -17.150 3.970 -5.839 844 HE2 LYS 96 HE2 LYS 96 -15.390 5.830 -4.251 845 HE3 LYS 96 HE1 LYS 96 -14.911 4.925 -5.685 846 HZ1 LYS 96 HZ1 LYS 96 -16.940 7.082 -5.545 847 HZ2 LYS 96 HZ2 LYS 96 -16.647 6.144 -6.920 848 HZ3 LYS 96 HZ3 LYS 96 -15.436 7.151 -6.312 849 H HIS 97 HN HIS 97 -20.576 2.163 -2.528 850 HA HIS 97 HA HIS 97 -22.830 1.607 -4.338 851 HB2 HIS 97 HB2 HIS 97 -20.360 0.429 -4.286 852 HB3 HIS 97 HB1 HIS 97 -21.334 -0.705 -3.358 853 HD1 HIS 97 HD1 HIS 97 -21.258 0.957 -6.758 854 HD2 HIS 97 HD2 HIS 97 -22.937 -2.341 -4.863 855 HE1 HIS 97 HE1 HIS 97 -22.311 -0.409 -8.585 856 HE2 HIS 97 HE2 HIS 97 -23.431 -2.333 -7.400 857 H LEU 98 HN LEU 98 -21.712 1.235 -1.026 858 HA LEU 98 HA LEU 98 -23.734 -0.662 -0.314 859 HB2 LEU 98 HB2 LEU 98 -22.007 1.091 1.432 860 HB3 LEU 98 HB1 LEU 98 -23.053 -0.181 2.023 861 HG LEU 98 HG LEU 98 -20.631 -0.553 0.260 862 HD11 LEU 98 HD11 LEU 98 -19.701 -1.683 2.210 863 HD12 LEU 98 HD12 LEU 98 -21.155 -1.303 3.130 864 HD13 LEU 98 HD13 LEU 98 -20.100 -0.005 2.577 865 HD21 LEU 98 HD21 LEU 98 -21.015 -2.944 0.558 866 HD22 LEU 98 HD22 LEU 98 -22.371 -2.182 -0.276 867 HD23 LEU 98 HD23 LEU 98 -22.509 -2.601 1.431 868 H ILE 99 HN ILE 99 -23.453 2.817 -0.257 869 HA ILE 99 HA ILE 99 -26.024 3.121 1.074 870 HB ILE 99 HB ILE 99 -24.167 5.206 -0.065 871 HG12 ILE 99 HG12 ILE 99 -23.123 4.087 1.796 872 HG13 ILE 99 HG11 ILE 99 -23.689 5.657 2.336 873 HG21 ILE 99 HG21 ILE 99 -25.497 6.806 1.225 874 HG22 ILE 99 HG22 ILE 99 -26.600 5.512 1.689 875 HG23 ILE 99 HG23 ILE 99 -26.467 5.995 -0.000 876 HD11 ILE 99 HD11 ILE 99 -25.642 4.593 3.361 877 HD12 ILE 99 HD12 ILE 99 -24.122 3.992 4.019 878 HD13 ILE 99 HD13 ILE 99 -25.025 3.018 2.860 879 HA PRO 100 HA PRO 100 -27.870 3.078 -3.055 880 HB2 PRO 100 HB2 PRO 100 -30.361 2.490 -2.279 881 HB3 PRO 100 HB1 PRO 100 -29.083 1.269 -2.268 882 HG2 PRO 100 HG2 PRO 100 -30.211 2.860 0.003 883 HG3 PRO 100 HG1 PRO 100 -29.770 1.144 -0.051 884 HD2 PRO 100 HD2 PRO 100 -28.181 3.119 1.020 885 HD3 PRO 100 HD1 PRO 100 -27.571 1.574 0.393 886 H LYS 101 HN LYS 101 -28.035 5.295 -0.644 887 HA LYS 101 HA LYS 101 -30.300 6.796 -1.686 888 HB2 LYS 101 HB2 LYS 101 -28.507 7.349 0.685 889 HB3 LYS 101 HB1 LYS 101 -29.958 8.248 0.266 890 HG2 LYS 101 HG2 LYS 101 -29.860 5.334 1.018 891 HG3 LYS 101 HG1 LYS 101 -30.368 6.659 2.071 892 HD2 LYS 101 HD2 LYS 101 -32.225 7.164 0.610 893 HD3 LYS 101 HD1 LYS 101 -31.687 5.948 -0.547 894 HE2 LYS 101 HE2 LYS 101 -33.550 5.138 0.805 895 HE3 LYS 101 HE1 LYS 101 -32.090 4.192 1.082 896 HZ1 LYS 101 HZ1 LYS 101 -33.295 4.744 3.135 897 HZ2 LYS 101 HZ2 LYS 101 -33.030 6.386 2.845 898 HZ3 LYS 101 HZ3 LYS 101 -31.720 5.354 3.127
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