NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
7824 | 1l3g | 4254 | cing | recoord | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H SER 2 H SER 2 -4.389 -4.966 9.353 2 HA SER 2 HA SER 2 -6.553 -3.719 10.766 3 1HB SER 2 2HB SER 2 -4.989 -4.874 12.543 4 2HB SER 2 1HB SER 2 -3.950 -3.481 12.256 5 HG SER 2 HG SER 2 -5.312 -2.288 13.321 6 H ASN 3 H ASN 3 -3.473 -2.330 11.450 7 HA ASN 3 HA ASN 3 -3.980 -0.144 9.542 8 1HB ASN 3 2HB ASN 3 -1.552 0.299 10.791 9 2HB ASN 3 1HB ASN 3 -3.118 0.817 11.415 10 1HD2 ASN 3 1HD2 ASN 3 -1.706 -2.492 11.212 11 2HD2 ASN 3 2HD2 ASN 3 -1.819 -2.803 12.878 12 H GLN 4 H GLN 4 -2.647 -3.126 9.165 13 HA GLN 4 HA GLN 4 -0.111 -2.706 7.948 14 1HB GLN 4 2HB GLN 4 -2.288 -4.736 7.948 15 2HB GLN 4 1HB GLN 4 -1.109 -4.853 6.642 16 1HG GLN 4 2HG GLN 4 0.052 -4.379 9.317 17 2HG GLN 4 1HG GLN 4 -0.747 -5.940 9.122 18 1HE2 GLN 4 1HE2 GLN 4 -0.188 -6.501 6.411 19 2HE2 GLN 4 2HE2 GLN 4 1.489 -6.663 6.207 20 H ILE 5 H ILE 5 -0.160 -0.886 6.537 21 HA ILE 5 HA ILE 5 -1.918 -1.150 4.118 22 HB ILE 5 HB ILE 5 -1.060 1.050 5.892 23 1HG1 ILE 5 2HG1 ILE 5 -3.347 0.637 3.938 24 2HG1 ILE 5 1HG1 ILE 5 -3.400 0.355 5.679 25 1HG2 ILE 5 1HG2 ILE 5 -0.710 2.702 4.272 26 2HG2 ILE 5 2HG2 ILE 5 -1.452 1.742 2.992 27 3HG2 ILE 5 3HG2 ILE 5 0.156 1.327 3.586 28 1HD1 ILE 5 1HD1 ILE 5 -3.253 2.963 4.191 29 2HD1 ILE 5 2HD1 ILE 5 -2.628 2.856 5.837 30 3HD1 ILE 5 3HD1 ILE 5 -4.324 2.496 5.513 31 H TYR 6 H TYR 6 -0.518 -2.328 2.748 32 HA TYR 6 HA TYR 6 2.282 -1.391 2.410 33 1HB TYR 6 2HB TYR 6 0.685 -3.725 1.301 34 2HB TYR 6 1HB TYR 6 2.410 -3.472 1.027 35 HD1 TYR 6 1HD TYR 6 2.996 -2.291 3.811 36 HD2 TYR 6 2HD TYR 6 0.873 -5.799 2.532 37 HE1 TYR 6 1HE TYR 6 3.505 -3.388 5.976 38 HE2 TYR 6 2HE TYR 6 1.381 -6.896 4.697 39 HH TYR 6 HH TYR 6 2.580 -5.193 7.383 40 H SER 7 H SER 7 3.077 -0.914 0.216 41 HA SER 7 HA SER 7 0.948 0.291 -1.512 42 1HB SER 7 2HB SER 7 2.330 2.074 -1.355 43 2HB SER 7 1HB SER 7 3.517 1.113 -0.477 44 HG SER 7 HG SER 7 3.733 2.040 -2.899 45 H ALA 8 H ALA 8 0.888 -0.258 -3.715 46 HA ALA 8 HA ALA 8 2.990 -2.047 -4.816 47 1HB ALA 8 1HB ALA 8 1.372 -3.519 -3.713 48 2HB ALA 8 2HB ALA 8 1.214 -3.687 -5.461 49 3HB ALA 8 3HB ALA 8 0.042 -2.727 -4.558 50 H ARG 9 H ARG 9 2.831 -2.208 -7.179 51 HA ARG 9 HA ARG 9 1.018 -0.174 -8.431 52 1HB ARG 9 2HB ARG 9 2.843 1.016 -9.026 53 2HB ARG 9 1HB ARG 9 3.828 -0.087 -8.064 54 1HG ARG 9 2HG ARG 9 4.748 -0.926 -9.934 55 2HG ARG 9 1HG ARG 9 3.151 -1.389 -10.525 56 1HD ARG 9 2HD ARG 9 2.913 0.539 -11.801 57 2HD ARG 9 1HD ARG 9 3.972 1.492 -10.742 58 HE ARG 9 HE ARG 9 5.575 -0.565 -11.801 59 1HH1 ARG 9 1HH1 ARG 9 3.680 2.095 -12.908 60 1HH2 ARG 9 1HH2 ARG 9 6.868 -0.201 -13.618 61 2HH2 ARG 9 2HH2 ARG 9 6.467 1.085 -14.708 62 H TYR 10 H TYR 10 -0.259 -1.269 -9.871 63 HA TYR 10 HA TYR 10 1.012 -3.299 -11.648 64 1HB TYR 10 2HB TYR 10 -1.364 -3.653 -9.806 65 2HB TYR 10 1HB TYR 10 -1.048 -4.741 -11.157 66 HD1 TYR 10 1HD TYR 10 -0.643 -4.479 -7.756 67 HD2 TYR 10 2HD TYR 10 1.673 -5.313 -11.277 68 HE1 TYR 10 1HE TYR 10 1.009 -5.713 -6.378 69 HE2 TYR 10 2HE TYR 10 3.324 -6.547 -9.899 70 HH TYR 10 HH TYR 10 2.880 -7.798 -7.184 71 H SER 11 H SER 11 -0.367 -3.754 -13.562 72 HA SER 11 HA SER 11 -1.711 -3.023 -15.364 73 1HB SER 11 2HB SER 11 -3.805 -3.127 -14.526 74 2HB SER 11 1HB SER 11 -3.151 -2.915 -12.904 75 HG SER 11 HG SER 11 -4.143 -1.064 -12.985 76 H GLY 12 H GLY 12 0.496 -1.257 -14.372 77 1HA GLY 12 2HA GLY 12 1.317 0.852 -15.017 78 2HA GLY 12 1HA GLY 12 -0.179 1.098 -15.919 79 H VAL 13 H VAL 13 -1.294 0.269 -13.000 80 HA VAL 13 HA VAL 13 -1.173 3.073 -11.933 81 HB VAL 13 HB VAL 13 -3.597 1.532 -11.349 82 1HG1 VAL 13 1HG1 VAL 13 -3.308 4.106 -12.904 83 2HG1 VAL 13 2HG1 VAL 13 -3.129 4.054 -11.151 84 3HG1 VAL 13 3HG1 VAL 13 -4.658 3.588 -11.895 85 1HG2 VAL 13 1HG2 VAL 13 -2.498 1.424 -14.038 86 2HG2 VAL 13 2HG2 VAL 13 -4.044 2.274 -14.021 87 3HG2 VAL 13 3HG2 VAL 13 -3.934 0.631 -13.391 88 H ASP 14 H ASP 14 -0.684 3.196 -9.753 89 HA ASP 14 HA ASP 14 0.004 0.733 -8.323 90 1HB ASP 14 2HB ASP 14 1.452 2.579 -8.019 91 2HB ASP 14 1HB ASP 14 0.111 3.705 -7.810 92 H VAL 15 H VAL 15 -0.938 0.144 -6.250 93 HA VAL 15 HA VAL 15 -3.578 1.368 -5.594 94 HB VAL 15 HB VAL 15 -4.623 -0.842 -5.641 95 1HG1 VAL 15 1HG1 VAL 15 -3.544 -1.295 -8.210 96 2HG1 VAL 15 2HG1 VAL 15 -3.437 0.445 -7.944 97 3HG1 VAL 15 3HG1 VAL 15 -4.993 -0.374 -7.812 98 1HG2 VAL 15 1HG2 VAL 15 -3.312 -2.803 -6.445 99 2HG2 VAL 15 2HG2 VAL 15 -2.685 -2.165 -4.925 100 3HG2 VAL 15 3HG2 VAL 15 -1.856 -1.806 -6.441 101 H TYR 16 H TYR 16 -4.407 0.132 -3.485 102 HA TYR 16 HA TYR 16 -2.063 -0.051 -1.630 103 1HB TYR 16 2HB TYR 16 -5.002 0.540 -1.139 104 2HB TYR 16 1HB TYR 16 -3.720 0.623 0.070 105 HD1 TYR 16 1HD TYR 16 -2.160 2.465 0.129 106 HD2 TYR 16 2HD TYR 16 -5.066 2.155 -3.019 107 HE1 TYR 16 1HE TYR 16 -1.657 4.792 -0.566 108 HE2 TYR 16 2HE TYR 16 -4.562 4.481 -3.715 109 HH TYR 16 HH TYR 16 -2.178 6.453 -1.938 110 H GLU 17 H GLU 17 -1.770 -1.961 -0.483 111 HA GLU 17 HA GLU 17 -3.859 -4.087 -0.836 112 1HB GLU 17 2HB GLU 17 -1.332 -5.225 -0.267 113 2HB GLU 17 1HB GLU 17 -2.173 -5.224 -1.817 114 1HG GLU 17 2HG GLU 17 -1.212 -2.863 -2.149 115 2HG GLU 17 1HG GLU 17 -0.142 -3.235 -0.797 116 H PHE 18 H PHE 18 -4.919 -4.010 1.146 117 HA PHE 18 HA PHE 18 -3.215 -4.342 3.592 118 1HB PHE 18 2HB PHE 18 -4.456 -2.094 3.106 119 2HB PHE 18 1HB PHE 18 -5.911 -2.991 3.547 120 HD1 PHE 18 1HD PHE 18 -4.914 -4.798 5.649 121 HD2 PHE 18 2HD PHE 18 -4.042 -0.655 4.925 122 HE1 PHE 18 1HE PHE 18 -4.377 -4.491 8.051 123 HE2 PHE 18 2HE PHE 18 -3.506 -0.347 7.328 124 HZ PHE 18 HZ PHE 18 -3.675 -2.265 8.890 125 H ILE 19 H ILE 19 -3.987 -5.895 5.087 126 HA ILE 19 HA ILE 19 -5.845 -7.896 4.033 127 HB ILE 19 HB ILE 19 -4.778 -7.779 6.845 128 1HG1 ILE 19 2HG1 ILE 19 -3.089 -7.108 4.876 129 2HG1 ILE 19 1HG1 ILE 19 -2.585 -8.141 6.215 130 1HG2 ILE 19 1HG2 ILE 19 -6.221 -9.661 5.676 131 2HG2 ILE 19 2HG2 ILE 19 -4.873 -10.101 6.726 132 3HG2 ILE 19 3HG2 ILE 19 -4.670 -10.122 4.973 133 1HD1 ILE 19 1HD1 ILE 19 -1.881 -9.303 4.269 134 2HD1 ILE 19 2HD1 ILE 19 -3.392 -8.965 3.425 135 3HD1 ILE 19 3HD1 ILE 19 -3.367 -10.116 4.762 136 H HIS 20 H HIS 20 -8.006 -8.054 4.536 137 HA HIS 20 HA HIS 20 -9.062 -6.702 6.958 138 1HB HIS 20 2HB HIS 20 -9.507 -5.928 4.096 139 2HB HIS 20 1HB HIS 20 -10.851 -5.756 5.225 140 HD1 HIS 20 1HD HIS 20 -7.220 -4.678 4.848 141 HD2 HIS 20 2HD HIS 20 -10.684 -3.509 6.853 142 HE1 HIS 20 1HE HIS 20 -6.688 -2.470 5.969 143 H SER 21 H SER 21 -11.762 -6.945 5.448 144 HA SER 21 HA SER 21 -12.560 -9.490 6.494 145 1HB SER 21 2HB SER 21 -13.670 -7.200 5.181 146 2HB SER 21 1HB SER 21 -14.245 -8.636 4.340 147 HG SER 21 HG SER 21 -14.310 -9.113 6.950 148 H THR 22 H THR 22 -11.603 -8.421 3.239 149 HA THR 22 HA THR 22 -11.845 -11.202 2.204 150 HB THR 22 HB THR 22 -11.436 -8.442 1.042 151 HG1 THR 22 1HG THR 22 -13.263 -10.360 0.160 152 1HG2 THR 22 1HG2 THR 22 -11.674 -10.434 -1.008 153 2HG2 THR 22 2HG2 THR 22 -10.302 -10.840 0.024 154 3HG2 THR 22 3HG2 THR 22 -10.378 -9.262 -0.760 155 H GLY 23 H GLY 23 -9.655 -9.633 3.987 156 1HA GLY 23 2HA GLY 23 -7.417 -10.413 4.404 157 2HA GLY 23 1HA GLY 23 -7.385 -11.107 2.780 158 H SER 24 H SER 24 -6.061 -10.017 1.422 159 HA SER 24 HA SER 24 -5.089 -7.339 2.039 160 1HB SER 24 2HB SER 24 -4.815 -9.003 -0.481 161 2HB SER 24 1HB SER 24 -3.746 -7.708 0.049 162 HG SER 24 HG SER 24 -2.943 -8.985 1.591 163 H ILE 25 H ILE 25 -5.883 -5.422 1.244 164 HA ILE 25 HA ILE 25 -8.095 -5.577 -0.775 165 HB ILE 25 HB ILE 25 -7.497 -3.495 1.352 166 1HG1 ILE 25 2HG1 ILE 25 -9.886 -4.846 1.938 167 2HG1 ILE 25 1HG1 ILE 25 -8.747 -6.118 1.489 168 1HG2 ILE 25 1HG2 ILE 25 -9.429 -2.414 0.694 169 2HG2 ILE 25 2HG2 ILE 25 -10.172 -3.890 0.082 170 3HG2 ILE 25 3HG2 ILE 25 -8.928 -3.073 -0.863 171 1HD1 ILE 25 1HD1 ILE 25 -8.857 -4.594 3.925 172 2HD1 ILE 25 2HD1 ILE 25 -7.323 -4.277 3.114 173 3HD1 ILE 25 3HD1 ILE 25 -7.785 -5.932 3.513 174 H MET 26 H MET 26 -7.666 -4.605 -2.716 175 HA MET 26 HA MET 26 -5.229 -2.904 -2.946 176 1HB MET 26 2HB MET 26 -5.588 -4.962 -4.347 177 2HB MET 26 1HB MET 26 -6.993 -4.173 -5.064 178 1HG MET 26 2HG MET 26 -5.718 -2.692 -6.274 179 2HG MET 26 1HG MET 26 -4.446 -2.629 -5.053 180 1HE MET 26 1HE MET 26 -4.383 -4.079 -8.888 181 2HE MET 26 2HE MET 26 -2.945 -3.300 -8.231 182 3HE MET 26 3HE MET 26 -4.531 -2.588 -7.946 183 H LYS 27 H LYS 27 -5.472 -1.050 -4.577 184 HA LYS 27 HA LYS 27 -8.198 0.120 -4.712 185 1HB LYS 27 2HB LYS 27 -5.984 0.928 -2.923 186 2HB LYS 27 1HB LYS 27 -6.760 2.255 -3.787 187 1HG LYS 27 2HG LYS 27 -8.839 1.859 -2.805 188 2HG LYS 27 1HG LYS 27 -8.458 0.175 -2.442 189 1HD LYS 27 2HD LYS 27 -6.925 2.420 -1.139 190 2HD LYS 27 1HD LYS 27 -8.462 1.866 -0.474 191 1HE LYS 27 2HE LYS 27 -6.074 0.753 0.206 192 2HE LYS 27 1HE LYS 27 -7.591 -0.169 0.193 193 1HZ LYS 27 1HZ LYS 27 -6.268 -1.409 -1.214 194 2HZ LYS 27 2HZ LYS 27 -7.074 -0.399 -2.316 195 H ARG 28 H ARG 28 -8.374 1.680 -6.394 196 HA ARG 28 HA ARG 28 -6.292 1.560 -8.453 197 1HB ARG 28 2HB ARG 28 -8.953 1.676 -8.524 198 2HB ARG 28 1HB ARG 28 -8.646 3.412 -8.533 199 1HG ARG 28 2HG ARG 28 -8.300 3.237 -10.754 200 2HG ARG 28 1HG ARG 28 -6.811 2.374 -10.369 201 1HD ARG 28 2HD ARG 28 -7.686 0.522 -11.335 202 2HD ARG 28 1HD ARG 28 -8.954 0.510 -10.093 203 HE ARG 28 HE ARG 28 -9.442 2.493 -12.172 204 1HH1 ARG 28 1HH1 ARG 28 -9.722 -0.808 -11.220 205 1HH2 ARG 28 1HH2 ARG 28 -11.215 2.096 -13.515 206 2HH2 ARG 28 2HH2 ARG 28 -11.928 0.517 -13.544 207 H LYS 29 H LYS 29 -4.615 2.995 -8.560 208 HA LYS 29 HA LYS 29 -4.237 5.161 -6.743 209 1HB LYS 29 2HB LYS 29 -2.419 4.033 -7.873 210 2HB LYS 29 1HB LYS 29 -3.062 4.489 -9.451 211 1HG LYS 29 2HG LYS 29 -2.641 6.837 -9.010 212 2HG LYS 29 1HG LYS 29 -2.165 6.480 -7.348 213 1HD LYS 29 2HD LYS 29 -0.131 5.561 -7.978 214 2HD LYS 29 1HD LYS 29 -0.718 5.097 -9.576 215 1HE LYS 29 2HE LYS 29 0.914 7.186 -9.291 216 2HE LYS 29 1HE LYS 29 -0.427 7.252 -10.452 217 1HZ LYS 29 1HZ LYS 29 -0.527 8.169 -7.626 218 2HZ LYS 29 2HZ LYS 29 -1.832 8.189 -8.713 219 H LYS 30 H LYS 30 -5.414 5.107 -10.111 220 HA LYS 30 HA LYS 30 -5.542 7.828 -10.707 221 1HB LYS 30 2HB LYS 30 -7.585 5.644 -11.235 222 2HB LYS 30 1HB LYS 30 -7.464 7.156 -12.137 223 1HG LYS 30 2HG LYS 30 -5.398 4.946 -11.979 224 2HG LYS 30 1HG LYS 30 -6.291 5.474 -13.405 225 1HD LYS 30 2HD LYS 30 -4.281 7.132 -11.851 226 2HD LYS 30 1HD LYS 30 -4.022 6.409 -13.439 227 1HE LYS 30 2HE LYS 30 -5.962 8.626 -12.713 228 2HE LYS 30 1HE LYS 30 -4.634 8.680 -13.890 229 1HZ LYS 30 1HZ LYS 30 -6.168 6.473 -14.541 230 2HZ LYS 30 2HZ LYS 30 -7.279 7.726 -14.253 231 H ASP 31 H ASP 31 -8.287 5.988 -9.305 232 HA ASP 31 HA ASP 31 -9.190 8.541 -8.009 233 1HB ASP 31 2HB ASP 31 -10.454 7.033 -9.887 234 2HB ASP 31 1HB ASP 31 -11.065 6.275 -8.416 235 H ASP 32 H ASP 32 -7.424 6.089 -7.099 236 HA ASP 32 HA ASP 32 -7.215 4.754 -5.147 237 1HB ASP 32 2HB ASP 32 -8.815 6.936 -3.830 238 2HB ASP 32 1HB ASP 32 -7.352 6.135 -3.255 239 H TRP 33 H TRP 33 -9.121 3.508 -6.464 240 HA TRP 33 HA TRP 33 -11.747 3.577 -5.187 241 1HB TRP 33 2HB TRP 33 -10.492 1.516 -7.026 242 2HB TRP 33 1HB TRP 33 -12.215 1.806 -6.783 243 HD1 TRP 33 HD TRP 33 -9.259 4.187 -7.593 244 HE1 TRP 33 1HE TRP 33 -9.948 5.662 -9.588 245 HE3 TRP 33 3HE TRP 33 -13.909 2.292 -8.521 246 HZ2 TRP 33 2HZ TRP 33 -12.181 5.998 -11.346 247 HZ3 TRP 33 3HZ TRP 33 -15.295 3.208 -10.360 248 HH2 TRP 33 HH TRP 33 -14.438 5.057 -11.772 249 H VAL 34 H VAL 34 -12.658 1.700 -4.028 250 HA VAL 34 HA VAL 34 -10.564 0.132 -2.553 251 HB VAL 34 HB VAL 34 -11.865 1.954 -1.343 252 1HG1 VAL 34 1HG1 VAL 34 -14.016 1.623 -2.478 253 2HG1 VAL 34 2HG1 VAL 34 -14.206 1.385 -0.740 254 3HG1 VAL 34 3HG1 VAL 34 -14.129 -0.009 -1.818 255 1HG2 VAL 34 1HG2 VAL 34 -12.689 0.134 0.455 256 2HG2 VAL 34 2HG2 VAL 34 -10.979 0.485 0.196 257 3HG2 VAL 34 3HG2 VAL 34 -11.716 -0.922 -0.569 258 H ASN 35 H ASN 35 -10.964 -2.096 -2.301 259 HA ASN 35 HA ASN 35 -12.632 -3.415 -4.229 260 1HB ASN 35 2HB ASN 35 -10.586 -4.360 -3.249 261 2HB ASN 35 1HB ASN 35 -11.336 -4.366 -1.653 262 1HD2 ASN 35 1HD2 ASN 35 -11.022 -6.773 -1.659 263 2HD2 ASN 35 2HD2 ASN 35 -12.110 -7.753 -2.516 264 H ALA 36 H ALA 36 -14.841 -2.907 -4.030 265 HA ALA 36 HA ALA 36 -16.426 -2.434 -1.821 266 1HB ALA 36 1HB ALA 36 -17.101 -2.497 -4.229 267 2HB ALA 36 2HB ALA 36 -18.248 -3.340 -3.187 268 3HB ALA 36 3HB ALA 36 -17.095 -4.260 -4.154 269 H THR 37 H THR 37 -15.011 -5.535 -2.750 270 HA THR 37 HA THR 37 -16.630 -7.269 -1.161 271 HB THR 37 HB THR 37 -13.655 -7.496 -1.700 272 HG1 THR 37 1HG THR 37 -15.840 -8.168 -3.377 273 1HG2 THR 37 1HG2 THR 37 -14.737 -9.192 -0.213 274 2HG2 THR 37 2HG2 THR 37 -14.106 -9.885 -1.707 275 3HG2 THR 37 3HG2 THR 37 -15.837 -9.591 -1.532 276 H HIS 38 H HIS 38 -13.582 -5.572 -0.378 277 HA HIS 38 HA HIS 38 -13.355 -6.460 2.330 278 1HB HIS 38 2HB HIS 38 -11.445 -5.338 1.797 279 2HB HIS 38 1HB HIS 38 -12.261 -4.410 0.537 280 HD1 HIS 38 1HD HIS 38 -13.672 -2.282 1.396 281 HD2 HIS 38 2HD HIS 38 -11.029 -3.929 4.167 282 HE1 HIS 38 1HE HIS 38 -13.370 -0.549 3.217 283 H ILE 39 H ILE 39 -15.324 -4.031 0.772 284 HA ILE 39 HA ILE 39 -16.227 -2.834 3.324 285 HB ILE 39 HB ILE 39 -16.407 -2.332 0.392 286 1HG1 ILE 39 2HG1 ILE 39 -16.379 0.068 1.742 287 2HG1 ILE 39 1HG1 ILE 39 -15.530 -0.997 2.864 288 1HG2 ILE 39 1HG2 ILE 39 -18.251 -0.598 1.789 289 2HG2 ILE 39 2HG2 ILE 39 -18.752 -2.282 1.954 290 3HG2 ILE 39 3HG2 ILE 39 -18.526 -1.581 0.351 291 1HD1 ILE 39 1HD1 ILE 39 -14.597 -1.597 0.238 292 2HD1 ILE 39 2HD1 ILE 39 -13.693 -0.881 1.573 293 3HD1 ILE 39 3HD1 ILE 39 -14.550 0.155 0.431 294 H LEU 40 H LEU 40 -17.650 -4.584 0.547 295 HA LEU 40 HA LEU 40 -20.151 -5.064 2.060 296 1HB LEU 40 2HB LEU 40 -19.154 -5.168 -0.728 297 2HB LEU 40 1HB LEU 40 -20.368 -6.383 -0.325 298 HG LEU 40 HG LEU 40 -21.049 -3.920 -1.133 299 1HD1 LEU 40 1HD1 LEU 40 -22.356 -6.068 -0.085 300 2HD1 LEU 40 2HD1 LEU 40 -23.158 -4.564 -0.538 301 3HD1 LEU 40 3HD1 LEU 40 -22.703 -4.849 1.142 302 1HD2 LEU 40 1HD2 LEU 40 -21.349 -3.509 1.804 303 2HD2 LEU 40 2HD2 LEU 40 -21.133 -2.320 0.519 304 3HD2 LEU 40 3HD2 LEU 40 -19.746 -3.226 1.122 305 H LYS 41 H LYS 41 -17.589 -6.999 0.466 306 HA LYS 41 HA LYS 41 -18.548 -9.559 1.348 307 1HB LYS 41 2HB LYS 41 -16.998 -9.279 -0.504 308 2HB LYS 41 1HB LYS 41 -15.815 -8.505 0.552 309 1HG LYS 41 2HG LYS 41 -16.798 -11.253 1.243 310 2HG LYS 41 1HG LYS 41 -15.590 -11.072 -0.030 311 1HD LYS 41 2HD LYS 41 -13.959 -10.672 1.472 312 2HD LYS 41 1HD LYS 41 -14.927 -9.435 2.276 313 1HE LYS 41 2HE LYS 41 -15.961 -11.018 3.715 314 2HE LYS 41 1HE LYS 41 -15.455 -12.386 2.705 315 1HZ LYS 41 1HZ LYS 41 -13.629 -12.482 3.951 316 2HZ LYS 41 2HZ LYS 41 -13.149 -11.008 3.256 317 H ALA 42 H ALA 42 -16.670 -7.057 2.897 318 HA ALA 42 HA ALA 42 -15.471 -8.669 4.977 319 1HB ALA 42 1HB ALA 42 -14.832 -6.344 4.177 320 2HB ALA 42 2HB ALA 42 -14.942 -6.510 5.929 321 3HB ALA 42 3HB ALA 42 -16.250 -5.738 5.032 322 H ALA 43 H ALA 43 -18.661 -7.450 4.438 323 HA ALA 43 HA ALA 43 -19.416 -8.159 7.257 324 1HB ALA 43 1HB ALA 43 -20.133 -5.941 5.388 325 2HB ALA 43 2HB ALA 43 -19.862 -5.893 7.129 326 3HB ALA 43 3HB ALA 43 -21.385 -6.512 6.491 327 H ASN 44 H ASN 44 -19.692 -9.113 4.032 328 HA ASN 44 HA ASN 44 -22.197 -10.636 4.668 329 1HB ASN 44 2HB ASN 44 -22.562 -10.249 2.082 330 2HB ASN 44 1HB ASN 44 -22.980 -8.973 3.226 331 1HD2 ASN 44 1HD2 ASN 44 -19.919 -10.080 1.640 332 2HD2 ASN 44 2HD2 ASN 44 -19.435 -8.522 1.169 333 H PHE 45 H PHE 45 -18.985 -10.921 4.053 334 HA PHE 45 HA PHE 45 -17.647 -12.712 3.284 335 1HB PHE 45 2HB PHE 45 -20.198 -14.313 3.170 336 2HB PHE 45 1HB PHE 45 -18.596 -14.827 3.700 337 HD1 PHE 45 1HD PHE 45 -21.668 -14.454 4.984 338 HD2 PHE 45 2HD PHE 45 -17.742 -12.814 5.579 339 HE1 PHE 45 1HE PHE 45 -22.259 -13.888 7.325 340 HE2 PHE 45 2HE PHE 45 -18.333 -12.249 7.920 341 HZ PHE 45 HZ PHE 45 -20.591 -12.786 8.793 342 H ALA 46 H ALA 46 -17.196 -13.945 1.298 343 HA ALA 46 HA ALA 46 -18.571 -12.778 -1.055 344 1HB ALA 46 1HB ALA 46 -16.246 -12.688 -1.263 345 2HB ALA 46 2HB ALA 46 -16.599 -14.190 -2.118 346 3HB ALA 46 3HB ALA 46 -16.014 -14.238 -0.454 347 H LYS 47 H LYS 47 -20.538 -13.940 -1.078 348 HA LYS 47 HA LYS 47 -20.295 -16.792 -1.948 349 1HB LYS 47 2HB LYS 47 -21.523 -15.655 0.440 350 2HB LYS 47 1HB LYS 47 -22.708 -16.532 -0.529 351 1HG LYS 47 2HG LYS 47 -20.352 -18.106 -0.522 352 2HG LYS 47 1HG LYS 47 -20.619 -17.593 1.144 353 1HD LYS 47 2HD LYS 47 -23.091 -18.403 -0.202 354 2HD LYS 47 1HD LYS 47 -21.904 -19.705 -0.109 355 1HE LYS 47 2HE LYS 47 -21.963 -18.288 2.409 356 2HE LYS 47 1HE LYS 47 -23.602 -18.814 1.972 357 1HZ LYS 47 1HZ LYS 47 -21.235 -20.410 2.520 358 2HZ LYS 47 2HZ LYS 47 -22.875 -20.791 2.741 359 H ALA 48 H ALA 48 -22.997 -17.227 -2.509 360 HA ALA 48 HA ALA 48 -23.420 -15.949 -4.987 361 1HB ALA 48 1HB ALA 48 -25.927 -16.517 -4.276 362 2HB ALA 48 2HB ALA 48 -25.124 -17.312 -2.921 363 3HB ALA 48 3HB ALA 48 -24.770 -17.814 -4.574 364 H LYS 49 H LYS 49 -23.990 -14.853 -1.731 365 HA LYS 49 HA LYS 49 -25.764 -12.649 -2.326 366 1HB LYS 49 2HB LYS 49 -24.160 -13.739 -0.105 367 2HB LYS 49 1HB LYS 49 -24.329 -11.984 -0.059 368 1HG LYS 49 2HG LYS 49 -26.858 -13.198 -0.749 369 2HG LYS 49 1HG LYS 49 -26.241 -13.896 0.750 370 1HD LYS 49 2HD LYS 49 -27.628 -11.844 1.122 371 2HD LYS 49 1HD LYS 49 -25.979 -11.684 1.729 372 1HE LYS 49 2HE LYS 49 -25.341 -10.509 -0.381 373 2HE LYS 49 1HE LYS 49 -27.035 -10.595 -0.905 374 1HZ LYS 49 1HZ LYS 49 -27.682 -9.086 0.612 375 2HZ LYS 49 2HZ LYS 49 -26.615 -9.655 1.804 376 H ARG 50 H ARG 50 -22.218 -12.847 -1.756 377 HA ARG 50 HA ARG 50 -21.631 -10.110 -2.300 378 1HB ARG 50 2HB ARG 50 -20.294 -12.287 -1.413 379 2HB ARG 50 1HB ARG 50 -19.699 -12.241 -3.074 380 1HG ARG 50 2HG ARG 50 -18.230 -10.921 -1.616 381 2HG ARG 50 1HG ARG 50 -19.057 -9.865 -2.762 382 1HD ARG 50 2HD ARG 50 -18.992 -9.238 -0.180 383 2HD ARG 50 1HD ARG 50 -20.478 -8.976 -1.116 384 HE ARG 50 HE ARG 50 -19.995 -11.451 0.505 385 1HH1 ARG 50 1HH1 ARG 50 -21.968 -8.969 -0.849 386 1HH2 ARG 50 1HH2 ARG 50 -21.901 -12.255 1.417 387 2HH2 ARG 50 2HH2 ARG 50 -23.398 -11.434 1.127 388 H THR 51 H THR 51 -22.294 -12.824 -4.428 389 HA THR 51 HA THR 51 -21.119 -11.742 -6.832 390 HB THR 51 HB THR 51 -22.532 -14.038 -5.941 391 HG1 THR 51 1HG THR 51 -21.343 -14.828 -7.477 392 1HG2 THR 51 1HG2 THR 51 -23.775 -13.575 -8.525 393 2HG2 THR 51 2HG2 THR 51 -24.301 -12.378 -7.340 394 3HG2 THR 51 3HG2 THR 51 -24.512 -14.099 -7.011 395 H ARG 52 H ARG 52 -24.303 -11.488 -5.290 396 HA ARG 52 HA ARG 52 -25.283 -9.704 -7.460 397 1HB ARG 52 2HB ARG 52 -26.373 -11.409 -5.312 398 2HB ARG 52 1HB ARG 52 -27.232 -9.881 -5.514 399 1HG ARG 52 2HG ARG 52 -27.198 -10.440 -8.047 400 2HG ARG 52 1HG ARG 52 -26.818 -12.083 -7.531 401 1HD ARG 52 2HD ARG 52 -29.308 -11.596 -7.842 402 2HD ARG 52 1HD ARG 52 -28.869 -12.225 -6.242 403 HE ARG 52 HE ARG 52 -29.418 -9.352 -6.847 404 1HH1 ARG 52 1HH1 ARG 52 -28.853 -11.983 -4.694 405 1HH2 ARG 52 1HH2 ARG 52 -30.014 -8.178 -5.010 406 2HH2 ARG 52 2HH2 ARG 52 -29.964 -8.942 -3.456 407 H ILE 53 H ILE 53 -25.334 -9.605 -3.880 408 HA ILE 53 HA ILE 53 -25.796 -6.897 -3.467 409 HB ILE 53 HB ILE 53 -23.991 -8.882 -2.061 410 1HG1 ILE 53 2HG1 ILE 53 -26.091 -9.661 -1.604 411 2HG1 ILE 53 1HG1 ILE 53 -26.102 -8.352 -0.421 412 1HG2 ILE 53 1HG2 ILE 53 -24.960 -6.633 -0.460 413 2HG2 ILE 53 2HG2 ILE 53 -23.858 -6.124 -1.740 414 3HG2 ILE 53 3HG2 ILE 53 -23.340 -7.325 -0.555 415 1HD1 ILE 53 1HD1 ILE 53 -27.245 -8.309 -3.223 416 2HD1 ILE 53 2HD1 ILE 53 -27.037 -6.856 -2.246 417 3HD1 ILE 53 3HD1 ILE 53 -28.121 -8.136 -1.703 418 H LEU 54 H LEU 54 -22.645 -8.445 -4.158 419 HA LEU 54 HA LEU 54 -21.102 -5.998 -4.042 420 1HB LEU 54 2HB LEU 54 -20.182 -8.291 -3.838 421 2HB LEU 54 1HB LEU 54 -20.652 -8.624 -5.506 422 HG LEU 54 HG LEU 54 -18.855 -7.533 -6.337 423 1HD1 LEU 54 1HD1 LEU 54 -18.875 -5.286 -6.182 424 2HD1 LEU 54 2HD1 LEU 54 -18.404 -5.361 -4.484 425 3HD1 LEU 54 3HD1 LEU 54 -20.109 -5.430 -4.931 426 1HD2 LEU 54 1HD2 LEU 54 -17.797 -7.128 -3.552 427 2HD2 LEU 54 2HD2 LEU 54 -16.944 -7.674 -4.995 428 3HD2 LEU 54 3HD2 LEU 54 -18.046 -8.766 -4.157 429 H GLU 55 H GLU 55 -22.136 -7.973 -6.831 430 HA GLU 55 HA GLU 55 -21.472 -6.173 -8.901 431 1HB GLU 55 2HB GLU 55 -22.900 -8.603 -8.511 432 2HB GLU 55 1HB GLU 55 -23.940 -7.546 -9.466 433 1HG GLU 55 2HG GLU 55 -22.553 -7.599 -11.272 434 2HG GLU 55 1HG GLU 55 -21.097 -7.557 -10.276 435 H LYS 56 H LYS 56 -24.519 -6.426 -7.045 436 HA LYS 56 HA LYS 56 -25.830 -4.241 -8.432 437 1HB LYS 56 2HB LYS 56 -26.296 -5.513 -5.712 438 2HB LYS 56 1HB LYS 56 -27.457 -4.514 -6.586 439 1HG LYS 56 2HG LYS 56 -26.318 -7.162 -7.532 440 2HG LYS 56 1HG LYS 56 -27.960 -6.888 -6.946 441 1HD LYS 56 2HD LYS 56 -27.372 -4.970 -9.005 442 2HD LYS 56 1HD LYS 56 -26.999 -6.589 -9.601 443 1HE LYS 56 2HE LYS 56 -29.264 -7.349 -8.843 444 2HE LYS 56 1HE LYS 56 -29.635 -5.672 -8.398 445 1HZ LYS 56 1HZ LYS 56 -28.692 -5.237 -10.793 446 2HZ LYS 56 2HZ LYS 56 -29.205 -6.836 -11.053 447 H GLU 57 H GLU 57 -23.807 -4.518 -5.544 448 HA GLU 57 HA GLU 57 -24.267 -1.736 -4.715 449 1HB GLU 57 2HB GLU 57 -23.786 -3.047 -2.882 450 2HB GLU 57 1HB GLU 57 -22.778 -4.154 -3.816 451 1HG GLU 57 2HG GLU 57 -21.126 -3.080 -2.616 452 2HG GLU 57 1HG GLU 57 -21.224 -1.987 -3.998 453 H VAL 58 H VAL 58 -21.611 -3.614 -6.194 454 HA VAL 58 HA VAL 58 -19.991 -1.175 -6.580 455 HB VAL 58 HB VAL 58 -19.360 -3.710 -6.022 456 1HG1 VAL 58 1HG1 VAL 58 -18.447 -4.617 -8.303 457 2HG1 VAL 58 2HG1 VAL 58 -19.678 -3.572 -9.011 458 3HG1 VAL 58 3HG1 VAL 58 -20.147 -4.863 -7.904 459 1HG2 VAL 58 1HG2 VAL 58 -17.904 -1.657 -7.672 460 2HG2 VAL 58 2HG2 VAL 58 -17.141 -3.211 -7.332 461 3HG2 VAL 58 3HG2 VAL 58 -17.611 -2.150 -6.004 462 H LEU 59 H LEU 59 -21.552 -3.658 -8.643 463 HA LEU 59 HA LEU 59 -20.987 -2.897 -11.199 464 1HB LEU 59 2HB LEU 59 -22.654 -4.599 -10.475 465 2HB LEU 59 1HB LEU 59 -23.776 -3.301 -10.063 466 HG LEU 59 HG LEU 59 -22.616 -3.767 -12.826 467 1HD1 LEU 59 1HD1 LEU 59 -24.671 -4.760 -13.434 468 2HD1 LEU 59 2HD1 LEU 59 -25.486 -4.170 -11.986 469 3HD1 LEU 59 3HD1 LEU 59 -24.309 -5.479 -11.864 470 1HD2 LEU 59 1HD2 LEU 59 -25.048 -2.169 -12.564 471 2HD2 LEU 59 2HD2 LEU 59 -23.546 -1.788 -13.407 472 3HD2 LEU 59 3HD2 LEU 59 -23.694 -1.463 -11.680 473 H LYS 60 H LYS 60 -23.302 -1.185 -9.083 474 HA LYS 60 HA LYS 60 -23.586 1.003 -11.055 475 1HB LYS 60 2HB LYS 60 -25.146 -0.206 -9.050 476 2HB LYS 60 1HB LYS 60 -24.776 1.403 -8.430 477 1HG LYS 60 2HG LYS 60 -25.705 2.466 -10.361 478 2HG LYS 60 1HG LYS 60 -25.795 0.939 -11.240 479 1HD LYS 60 2HD LYS 60 -27.988 1.809 -10.218 480 2HD LYS 60 1HD LYS 60 -27.563 0.132 -9.870 481 1HE LYS 60 2HE LYS 60 -26.854 0.651 -7.660 482 2HE LYS 60 1HE LYS 60 -26.777 2.390 -8.011 483 1HZ LYS 60 1HZ LYS 60 -28.957 2.613 -7.693 484 2HZ LYS 60 2HZ LYS 60 -29.324 1.256 -8.647 485 H GLU 61 H GLU 61 -21.867 0.259 -8.107 486 HA GLU 61 HA GLU 61 -21.029 3.106 -7.781 487 1HB GLU 61 2HB GLU 61 -21.208 2.551 -5.606 488 2HB GLU 61 1HB GLU 61 -21.649 0.907 -6.068 489 1HG GLU 61 2HG GLU 61 -19.510 0.103 -5.782 490 2HG GLU 61 1HG GLU 61 -18.762 1.640 -6.220 491 H THR 62 H THR 62 -19.551 3.135 -9.591 492 HA THR 62 HA THR 62 -17.604 2.318 -10.813 493 HB THR 62 HB THR 62 -15.757 3.019 -8.924 494 HG1 THR 62 1HG THR 62 -18.310 3.834 -8.096 495 1HG2 THR 62 1HG2 THR 62 -15.845 5.197 -9.885 496 2HG2 THR 62 2HG2 THR 62 -17.566 5.049 -10.239 497 3HG2 THR 62 3HG2 THR 62 -16.394 4.100 -11.152 498 H HIS 63 H HIS 63 -18.340 -0.091 -10.422 499 HA HIS 63 HA HIS 63 -16.616 -1.483 -8.432 500 1HB HIS 63 2HB HIS 63 -18.088 -3.393 -8.992 501 2HB HIS 63 1HB HIS 63 -19.040 -1.969 -8.570 502 HD1 HIS 63 1HD HIS 63 -19.733 -0.451 -10.792 503 HD2 HIS 63 2HD HIS 63 -18.815 -4.467 -11.430 504 HE1 HIS 63 1HE HIS 63 -20.703 -1.057 -13.052 505 H GLU 64 H GLU 64 -14.615 -2.063 -9.204 506 HA GLU 64 HA GLU 64 -14.371 -2.790 -12.103 507 1HB GLU 64 2HB GLU 64 -12.584 -1.519 -10.041 508 2HB GLU 64 1HB GLU 64 -11.877 -2.296 -11.457 509 1HG GLU 64 2HG GLU 64 -12.170 -0.045 -12.126 510 2HG GLU 64 1HG GLU 64 -13.551 -0.886 -12.831 511 H LYS 65 H LYS 65 -13.891 -4.907 -12.541 512 HA LYS 65 HA LYS 65 -13.230 -6.729 -10.292 513 1HB LYS 65 2HB LYS 65 -13.809 -7.277 -13.222 514 2HB LYS 65 1HB LYS 65 -13.852 -8.449 -11.903 515 1HG LYS 65 2HG LYS 65 -15.672 -6.044 -12.221 516 2HG LYS 65 1HG LYS 65 -16.130 -7.735 -12.430 517 1HD LYS 65 2HD LYS 65 -15.475 -6.250 -9.904 518 2HD LYS 65 1HD LYS 65 -16.815 -7.349 -10.236 519 1HE LYS 65 2HE LYS 65 -13.897 -8.151 -9.929 520 2HE LYS 65 1HE LYS 65 -15.201 -8.475 -8.769 521 1HZ LYS 65 1HZ LYS 65 -16.405 -9.508 -10.732 522 2HZ LYS 65 2HZ LYS 65 -15.104 -10.390 -10.091 523 H VAL 66 H VAL 66 -11.112 -7.273 -9.934 524 HA VAL 66 HA VAL 66 -9.060 -6.584 -11.946 525 HB VAL 66 HB VAL 66 -7.683 -6.522 -10.112 526 1HG1 VAL 66 1HG1 VAL 66 -10.394 -6.693 -8.760 527 2HG1 VAL 66 2HG1 VAL 66 -9.668 -5.234 -9.435 528 3HG1 VAL 66 3HG1 VAL 66 -8.934 -6.018 -8.037 529 1HG2 VAL 66 1HG2 VAL 66 -8.402 -8.270 -8.146 530 2HG2 VAL 66 2HG2 VAL 66 -7.285 -8.674 -9.449 531 3HG2 VAL 66 3HG2 VAL 66 -8.985 -9.128 -9.571 532 H GLN 67 H GLN 67 -8.366 -8.087 -13.406 533 HA GLN 67 HA GLN 67 -8.285 -10.959 -12.600 534 1HB GLN 67 2HB GLN 67 -10.136 -9.667 -14.404 535 2HB GLN 67 1HB GLN 67 -9.153 -10.829 -15.294 536 1HG GLN 67 2HG GLN 67 -10.105 -12.608 -14.256 537 2HG GLN 67 1HG GLN 67 -10.084 -11.814 -12.682 538 1HE2 GLN 67 1HE2 GLN 67 -11.631 -9.509 -13.227 539 2HE2 GLN 67 2HE2 GLN 67 -13.212 -9.982 -13.628 540 H GLY 68 H GLY 68 -6.721 -12.180 -13.838 541 1HA GLY 68 2HA GLY 68 -4.991 -12.429 -15.488 542 2HA GLY 68 1HA GLY 68 -5.090 -10.698 -15.816 543 H GLY 69 H GLY 69 -5.118 -10.935 -12.540 544 1HA GLY 69 2HA GLY 69 -3.298 -11.209 -10.944 545 2HA GLY 69 1HA GLY 69 -2.154 -11.074 -12.282 546 H PHE 70 H PHE 70 -4.412 -8.782 -12.905 547 HA PHE 70 HA PHE 70 -2.733 -6.657 -11.646 548 1HB PHE 70 2HB PHE 70 -4.220 -7.075 -14.144 549 2HB PHE 70 1HB PHE 70 -4.504 -5.488 -13.431 550 HD1 PHE 70 1HD PHE 70 -1.452 -6.412 -12.145 551 HD2 PHE 70 2HD PHE 70 -3.215 -5.221 -15.876 552 HE1 PHE 70 1HE PHE 70 0.767 -5.652 -12.949 553 HE2 PHE 70 2HE PHE 70 -0.996 -4.460 -16.681 554 HZ PHE 70 HZ PHE 70 0.995 -4.675 -15.218 555 H GLY 71 H GLY 71 -3.603 -6.162 -9.636 556 1HA GLY 71 2HA GLY 71 -5.170 -5.080 -8.222 557 2HA GLY 71 1HA GLY 71 -6.319 -5.064 -9.561 558 H LYS 72 H LYS 72 -4.743 -8.054 -8.748 559 HA LYS 72 HA LYS 72 -7.280 -9.377 -8.269 560 1HB LYS 72 2HB LYS 72 -5.653 -10.754 -9.206 561 2HB LYS 72 1HB LYS 72 -4.356 -10.037 -8.248 562 1HG LYS 72 2HG LYS 72 -6.553 -11.742 -7.050 563 2HG LYS 72 1HG LYS 72 -4.996 -12.392 -7.565 564 1HD LYS 72 2HD LYS 72 -5.447 -10.249 -5.467 565 2HD LYS 72 1HD LYS 72 -4.898 -11.900 -5.180 566 1HE LYS 72 2HE LYS 72 -2.944 -11.321 -6.790 567 2HE LYS 72 1HE LYS 72 -3.405 -9.631 -6.502 568 1HZ LYS 72 1HZ LYS 72 -1.894 -11.195 -4.831 569 2HZ LYS 72 2HZ LYS 72 -3.426 -11.172 -4.100 570 H TYR 73 H TYR 73 -5.375 -7.406 -6.345 571 HA TYR 73 HA TYR 73 -5.877 -8.800 -3.791 572 1HB TYR 73 2HB TYR 73 -4.480 -6.325 -4.772 573 2HB TYR 73 1HB TYR 73 -4.893 -6.444 -3.060 574 HD1 TYR 73 1HD TYR 73 -2.374 -7.095 -5.383 575 HD2 TYR 73 2HD TYR 73 -4.372 -8.905 -2.039 576 HE1 TYR 73 1HE TYR 73 -0.416 -8.571 -5.011 577 HE2 TYR 73 2HE TYR 73 -2.413 -10.381 -1.667 578 HH TYR 73 HH TYR 73 -0.066 -10.914 -3.904 579 H GLN 74 H GLN 74 -7.229 -6.257 -5.792 580 HA GLN 74 HA GLN 74 -9.079 -5.372 -3.642 581 1HB GLN 74 2HB GLN 74 -9.768 -3.847 -5.663 582 2HB GLN 74 1HB GLN 74 -8.205 -3.579 -4.890 583 1HG GLN 74 2HG GLN 74 -7.237 -3.892 -6.900 584 2HG GLN 74 1HG GLN 74 -7.753 -5.576 -6.823 585 1HE2 GLN 74 1HE2 GLN 74 -10.573 -5.232 -7.063 586 2HE2 GLN 74 2HE2 GLN 74 -10.914 -4.602 -8.601 587 H GLY 75 H GLY 75 -9.212 -6.781 -6.932 588 1HA GLY 75 2HA GLY 75 -10.821 -8.226 -7.865 589 2HA GLY 75 1HA GLY 75 -11.526 -8.393 -6.256 590 H THR 76 H THR 76 -12.746 -6.394 -5.486 591 HA THR 76 HA THR 76 -14.159 -5.070 -7.778 592 HB THR 76 HB THR 76 -15.270 -6.151 -5.164 593 HG1 THR 76 1HG THR 76 -15.242 -7.048 -7.830 594 1HG2 THR 76 1HG2 THR 76 -17.247 -5.134 -5.636 595 2HG2 THR 76 2HG2 THR 76 -17.081 -5.406 -7.371 596 3HG2 THR 76 3HG2 THR 76 -16.254 -4.048 -6.608 597 H TRP 77 H TRP 77 -12.298 -3.466 -7.061 598 HA TRP 77 HA TRP 77 -12.661 -2.039 -4.552 599 1HB TRP 77 2HB TRP 77 -11.109 -0.414 -5.966 600 2HB TRP 77 1HB TRP 77 -10.489 -1.960 -5.388 601 HD1 TRP 77 HD TRP 77 -12.962 -2.468 -8.076 602 HE1 TRP 77 1HE TRP 77 -11.786 -3.011 -10.304 603 HE3 TRP 77 3HE TRP 77 -8.159 -1.233 -6.859 604 HZ2 TRP 77 2HZ TRP 77 -9.154 -2.929 -11.424 605 HZ3 TRP 77 3HZ TRP 77 -6.339 -1.475 -8.524 606 HH2 TRP 77 HH TRP 77 -6.830 -2.320 -10.803 607 H VAL 78 H VAL 78 -13.270 0.261 -4.443 608 HA VAL 78 HA VAL 78 -15.030 1.201 -6.672 609 HB VAL 78 HB VAL 78 -16.440 1.974 -4.507 610 1HG1 VAL 78 1HG1 VAL 78 -17.832 0.732 -5.780 611 2HG1 VAL 78 2HG1 VAL 78 -17.295 -0.660 -4.841 612 3HG1 VAL 78 3HG1 VAL 78 -16.506 -0.271 -6.370 613 1HG2 VAL 78 1HG2 VAL 78 -15.619 -0.739 -3.580 614 2HG2 VAL 78 2HG2 VAL 78 -16.172 0.649 -2.642 615 3HG2 VAL 78 3HG2 VAL 78 -14.511 0.591 -3.236 616 HA PRO 79 HA PRO 79 -13.299 5.185 -6.169 617 1HB PRO 79 2HB PRO 79 -15.983 6.299 -5.532 618 2HB PRO 79 1HB PRO 79 -14.863 6.737 -6.836 619 1HG PRO 79 2HG PRO 79 -17.103 5.319 -7.274 620 2HG PRO 79 1HG PRO 79 -15.630 5.105 -8.231 621 1HD PRO 79 2HD PRO 79 -16.802 3.341 -6.165 622 2HD PRO 79 1HD PRO 79 -15.773 2.935 -7.556 623 H LEU 80 H LEU 80 -12.128 5.453 -4.286 624 HA LEU 80 HA LEU 80 -12.879 4.885 -1.660 625 1HB LEU 80 2HB LEU 80 -10.616 5.508 -2.596 626 2HB LEU 80 1HB LEU 80 -11.136 7.194 -2.575 627 HG LEU 80 HG LEU 80 -11.377 5.537 -0.080 628 1HD1 LEU 80 1HD1 LEU 80 -8.950 7.133 -0.167 629 2HD1 LEU 80 2HD1 LEU 80 -8.938 5.891 -1.419 630 3HD1 LEU 80 3HD1 LEU 80 -9.152 5.436 0.271 631 1HD2 LEU 80 1HD2 LEU 80 -12.391 7.806 -0.234 632 2HD2 LEU 80 2HD2 LEU 80 -10.800 8.473 -0.602 633 3HD2 LEU 80 3HD2 LEU 80 -11.106 7.740 0.973 634 H ASN 81 H ASN 81 -13.552 7.820 -3.540 635 HA ASN 81 HA ASN 81 -14.491 9.468 -1.390 636 1HB ASN 81 2HB ASN 81 -15.524 9.446 -4.234 637 2HB ASN 81 1HB ASN 81 -15.301 10.835 -3.170 638 1HD2 ASN 81 1HD2 ASN 81 -13.962 11.639 -5.116 639 2HD2 ASN 81 2HD2 ASN 81 -12.333 11.167 -5.191 640 H ILE 82 H ILE 82 -16.078 7.054 -3.448 641 HA ILE 82 HA ILE 82 -18.651 7.461 -1.995 642 HB ILE 82 HB ILE 82 -19.595 6.246 -3.847 643 1HG1 ILE 82 2HG1 ILE 82 -17.796 5.382 -5.596 644 2HG1 ILE 82 1HG1 ILE 82 -16.764 5.311 -4.168 645 1HG2 ILE 82 1HG2 ILE 82 -18.645 8.602 -4.252 646 2HG2 ILE 82 2HG2 ILE 82 -18.974 7.623 -5.682 647 3HG2 ILE 82 3HG2 ILE 82 -17.321 7.796 -5.093 648 1HD1 ILE 82 1HD1 ILE 82 -17.982 3.166 -4.601 649 2HD1 ILE 82 2HD1 ILE 82 -19.503 4.026 -4.358 650 3HD1 ILE 82 3HD1 ILE 82 -18.355 3.868 -3.028 651 H ALA 83 H ALA 83 -16.041 5.152 -2.502 652 HA ALA 83 HA ALA 83 -17.242 2.814 -1.397 653 1HB ALA 83 1HB ALA 83 -15.149 2.007 -1.793 654 2HB ALA 83 2HB ALA 83 -14.393 3.260 -0.810 655 3HB ALA 83 3HB ALA 83 -14.823 3.595 -2.487 656 H LYS 84 H LYS 84 -15.018 5.138 0.222 657 HA LYS 84 HA LYS 84 -15.278 4.129 2.844 658 1HB LYS 84 2HB LYS 84 -14.296 6.212 3.466 659 2HB LYS 84 1HB LYS 84 -13.731 5.920 1.821 660 1HG LYS 84 2HG LYS 84 -15.607 7.330 0.969 661 2HG LYS 84 1HG LYS 84 -16.050 7.694 2.636 662 1HD LYS 84 2HD LYS 84 -13.909 8.822 1.004 663 2HD LYS 84 1HD LYS 84 -14.601 9.421 2.512 664 1HE LYS 84 2HE LYS 84 -13.091 7.053 3.106 665 2HE LYS 84 1HE LYS 84 -12.073 8.154 2.156 666 1HZ LYS 84 1HZ LYS 84 -12.100 8.641 4.588 667 2HZ LYS 84 2HZ LYS 84 -12.591 9.944 3.614 668 H GLN 85 H GLN 85 -17.463 6.168 0.976 669 HA GLN 85 HA GLN 85 -19.081 7.062 3.207 670 1HB GLN 85 2HB GLN 85 -18.974 8.203 1.037 671 2HB GLN 85 1HB GLN 85 -19.616 6.769 0.236 672 1HG GLN 85 2HG GLN 85 -21.565 7.071 2.020 673 2HG GLN 85 1HG GLN 85 -21.017 8.748 1.984 674 1HE2 GLN 85 1HE2 GLN 85 -21.253 9.943 -0.037 675 2HE2 GLN 85 2HE2 GLN 85 -22.227 9.362 -1.299 676 H LEU 86 H LEU 86 -19.162 4.285 1.008 677 HA LEU 86 HA LEU 86 -21.723 3.301 2.058 678 1HB LEU 86 2HB LEU 86 -20.468 3.087 -0.295 679 2HB LEU 86 1HB LEU 86 -19.840 1.628 0.471 680 HG LEU 86 HG LEU 86 -21.791 0.565 0.134 681 1HD1 LEU 86 1HD1 LEU 86 -22.409 2.030 2.257 682 2HD1 LEU 86 2HD1 LEU 86 -23.650 1.101 1.416 683 3HD1 LEU 86 3HD1 LEU 86 -23.488 2.831 1.115 684 1HD2 LEU 86 1HD2 LEU 86 -23.216 1.383 -1.533 685 2HD2 LEU 86 2HD2 LEU 86 -21.748 2.316 -1.827 686 3HD2 LEU 86 3HD2 LEU 86 -23.097 3.045 -0.955 687 H ALA 87 H ALA 87 -18.271 2.592 2.445 688 HA ALA 87 HA ALA 87 -18.574 0.180 3.987 689 1HB ALA 87 1HB ALA 87 -16.468 2.230 3.418 690 2HB ALA 87 2HB ALA 87 -16.450 0.496 3.101 691 3HB ALA 87 3HB ALA 87 -16.182 1.096 4.737 692 H GLU 88 H GLU 88 -18.012 3.580 4.946 693 HA GLU 88 HA GLU 88 -17.956 3.292 7.741 694 1HB GLU 88 2HB GLU 88 -17.851 5.536 7.536 695 2HB GLU 88 1HB GLU 88 -18.072 5.302 5.808 696 1HG GLU 88 2HG GLU 88 -20.455 5.540 5.989 697 2HG GLU 88 1HG GLU 88 -20.384 5.475 7.750 698 H LYS 89 H LYS 89 -20.575 2.955 5.513 699 HA LYS 89 HA LYS 89 -22.793 3.380 7.315 700 1HB LYS 89 2HB LYS 89 -22.443 3.029 4.640 701 2HB LYS 89 1HB LYS 89 -23.018 1.423 5.089 702 1HG LYS 89 2HG LYS 89 -25.059 2.254 5.929 703 2HG LYS 89 1HG LYS 89 -24.440 3.901 6.051 704 1HD LYS 89 2HD LYS 89 -25.012 2.378 3.491 705 2HD LYS 89 1HD LYS 89 -25.924 3.751 4.121 706 1HE LYS 89 2HE LYS 89 -23.676 5.042 4.032 707 2HE LYS 89 1HE LYS 89 -23.130 3.728 2.971 708 1HZ LYS 89 1HZ LYS 89 -24.664 4.231 1.384 709 2HZ LYS 89 2HZ LYS 89 -25.780 4.876 2.491 710 H PHE 90 H PHE 90 -22.930 0.282 5.880 711 HA PHE 90 HA PHE 90 -22.667 -1.001 8.574 712 1HB PHE 90 2HB PHE 90 -24.499 -1.202 6.267 713 2HB PHE 90 1HB PHE 90 -24.007 -2.758 6.935 714 HD1 PHE 90 1HD PHE 90 -23.685 -2.251 9.773 715 HD2 PHE 90 2HD PHE 90 -26.653 -0.734 7.062 716 HE1 PHE 90 1HE PHE 90 -25.255 -1.936 11.667 717 HE2 PHE 90 2HE PHE 90 -28.222 -0.418 8.957 718 HZ PHE 90 HZ PHE 90 -27.524 -1.019 11.259 719 H SER 91 H SER 91 -20.717 -0.465 6.102 720 HA SER 91 HA SER 91 -19.960 -3.118 5.229 721 1HB SER 91 2HB SER 91 -18.363 -0.549 5.175 722 2HB SER 91 1HB SER 91 -18.219 -1.918 4.077 723 HG SER 91 HG SER 91 -20.358 -0.079 4.352 724 H VAL 92 H VAL 92 -17.169 -1.438 6.041 725 HA VAL 92 HA VAL 92 -16.729 -3.123 8.478 726 HB VAL 92 HB VAL 92 -14.874 -2.281 6.227 727 1HG1 VAL 92 1HG1 VAL 92 -14.080 -2.607 8.785 728 2HG1 VAL 92 2HG1 VAL 92 -13.085 -3.095 7.414 729 3HG1 VAL 92 3HG1 VAL 92 -14.063 -4.291 8.265 730 1HG2 VAL 92 1HG2 VAL 92 -15.215 -4.344 5.323 731 2HG2 VAL 92 2HG2 VAL 92 -16.705 -4.321 6.266 732 3HG2 VAL 92 3HG2 VAL 92 -15.272 -5.128 6.902 733 H TYR 93 H TYR 93 -17.515 -0.133 7.835 734 HA TYR 93 HA TYR 93 -15.754 1.836 8.371 735 1HB TYR 93 2HB TYR 93 -17.515 2.943 9.492 736 2HB TYR 93 1HB TYR 93 -18.353 1.725 8.531 737 HD1 TYR 93 1HD TYR 93 -20.128 0.772 9.694 738 HD2 TYR 93 2HD TYR 93 -16.490 1.672 11.793 739 HE1 TYR 93 1HE TYR 93 -21.079 -0.210 11.764 740 HE2 TYR 93 2HE TYR 93 -17.440 0.690 13.862 741 HH TYR 93 HH TYR 93 -19.267 -1.075 14.387 742 H ASP 94 H ASP 94 -16.479 -0.797 10.607 743 HA ASP 94 HA ASP 94 -14.849 0.408 12.761 744 1HB ASP 94 2HB ASP 94 -16.780 -0.711 13.514 745 2HB ASP 94 1HB ASP 94 -16.564 -2.040 12.373 746 H GLN 95 H GLN 95 -14.809 -2.686 10.938 747 HA GLN 95 HA GLN 95 -12.237 -3.541 11.813 748 1HB GLN 95 2HB GLN 95 -14.320 -4.317 10.023 749 2HB GLN 95 1HB GLN 95 -12.796 -4.412 9.140 750 1HG GLN 95 2HG GLN 95 -11.852 -5.676 11.137 751 2HG GLN 95 1HG GLN 95 -13.504 -5.776 11.747 752 1HE2 GLN 95 1HE2 GLN 95 -15.137 -6.787 10.155 753 2HE2 GLN 95 2HE2 GLN 95 -14.577 -8.034 9.148 754 H LEU 96 H LEU 96 -13.168 -1.175 9.412 755 HA LEU 96 HA LEU 96 -10.535 -1.190 8.083 756 1HB LEU 96 2HB LEU 96 -12.504 1.002 7.693 757 2HB LEU 96 1HB LEU 96 -11.644 0.040 6.491 758 HG LEU 96 HG LEU 96 -13.529 -1.530 8.106 759 1HD1 LEU 96 1HD1 LEU 96 -14.856 0.501 8.043 760 2HD1 LEU 96 2HD1 LEU 96 -15.523 -0.632 6.869 761 3HD1 LEU 96 3HD1 LEU 96 -14.522 0.714 6.324 762 1HD2 LEU 96 1HD2 LEU 96 -13.861 -1.320 5.187 763 2HD2 LEU 96 2HD2 LEU 96 -13.587 -2.747 6.185 764 3HD2 LEU 96 3HD2 LEU 96 -12.224 -1.745 5.687 765 H LYS 97 H LYS 97 -10.964 -0.411 11.051 766 HA LYS 97 HA LYS 97 -10.618 2.360 11.467 767 1HB LYS 97 2HB LYS 97 -9.453 -0.065 12.874 768 2HB LYS 97 1HB LYS 97 -9.445 1.565 13.551 769 1HG LYS 97 2HG LYS 97 -12.072 1.300 12.833 770 2HG LYS 97 1HG LYS 97 -11.672 -0.355 13.293 771 1HD LYS 97 2HD LYS 97 -10.469 1.123 15.291 772 2HD LYS 97 1HD LYS 97 -11.948 2.034 14.977 773 1HE LYS 97 2HE LYS 97 -12.707 0.458 16.540 774 2HE LYS 97 1HE LYS 97 -13.055 -0.385 15.018 775 1HZ LYS 97 1HZ LYS 97 -10.602 -0.658 16.672 776 2HZ LYS 97 2HZ LYS 97 -11.797 -1.842 16.435 777 HA PRO 98 HA PRO 98 -5.868 1.599 11.032 778 1HB PRO 98 2HB PRO 98 -5.196 -0.731 9.691 779 2HB PRO 98 1HB PRO 98 -5.228 -0.567 11.457 780 1HG PRO 98 2HG PRO 98 -7.217 -1.796 9.634 781 2HG PRO 98 1HG PRO 98 -6.755 -2.252 11.280 782 1HD PRO 98 2HD PRO 98 -9.059 -0.931 10.675 783 2HD PRO 98 1HD PRO 98 -8.227 -0.789 12.239 784 H LEU 99 H LEU 99 -7.428 -0.226 8.357 785 HA LEU 99 HA LEU 99 -6.051 0.744 6.166 786 1HB LEU 99 2HB LEU 99 -8.017 -0.874 6.317 787 2HB LEU 99 1HB LEU 99 -9.070 0.541 6.318 788 HG LEU 99 HG LEU 99 -8.978 0.015 4.042 789 1HD1 LEU 99 1HD1 LEU 99 -6.504 1.656 3.928 790 2HD1 LEU 99 2HD1 LEU 99 -7.852 2.343 4.834 791 3HD1 LEU 99 3HD1 LEU 99 -8.059 1.910 3.137 792 1HD2 LEU 99 1HD2 LEU 99 -6.622 -1.366 4.817 793 2HD2 LEU 99 2HD2 LEU 99 -6.161 -0.269 3.516 794 3HD2 LEU 99 3HD2 LEU 99 -7.450 -1.445 3.262 795 H PHE 100 H PHE 100 -8.572 2.447 8.006 796 HA PHE 100 HA PHE 100 -8.507 4.777 6.204 797 1HB PHE 100 2HB PHE 100 -9.939 3.933 8.715 798 2HB PHE 100 1HB PHE 100 -10.034 5.606 8.165 799 HD1 PHE 100 1HD PHE 100 -10.409 5.779 5.472 800 HD2 PHE 100 2HD PHE 100 -11.640 2.523 7.991 801 HE1 PHE 100 1HE PHE 100 -12.125 5.133 3.802 802 HE2 PHE 100 2HE PHE 100 -13.355 1.879 6.320 803 HZ PHE 100 HZ PHE 100 -13.598 3.184 4.225 804 H ASP 101 H ASP 101 -6.956 3.727 9.148 805 HA ASP 101 HA ASP 101 -6.213 6.342 10.149 806 1HB ASP 101 2HB ASP 101 -5.471 3.471 10.594 807 2HB ASP 101 1HB ASP 101 -4.437 4.723 11.284 808 H PHE 102 H PHE 102 -4.646 3.959 8.020 809 HA PHE 102 HA PHE 102 -2.984 4.406 6.359 810 1HB PHE 102 2HB PHE 102 -4.033 6.733 6.499 811 2HB PHE 102 1HB PHE 102 -2.780 7.127 7.676 812 HD1 PHE 102 1HD PHE 102 -0.413 5.778 6.680 813 HD2 PHE 102 2HD PHE 102 -3.495 7.820 4.493 814 HE1 PHE 102 1HE PHE 102 1.186 6.214 4.835 815 HE2 PHE 102 2HE PHE 102 -1.896 8.256 2.648 816 HZ PHE 102 HZ PHE 102 0.443 7.453 2.818 817 H THR 103 H THR 103 -0.994 3.489 6.678 818 HA THR 103 HA THR 103 0.255 3.511 9.327 819 HB THR 103 HB THR 103 1.980 2.386 7.414 820 HG1 THR 103 1HG THR 103 0.745 2.037 5.771 821 1HG2 THR 103 1HG2 THR 103 0.287 1.584 9.605 822 2HG2 THR 103 2HG2 THR 103 1.766 0.824 9.014 823 3HG2 THR 103 3HG2 THR 103 0.207 0.379 8.318 824 H GLN 104 H GLN 104 0.935 5.699 9.676 825 HA GLN 104 HA GLN 104 2.667 7.015 7.675 826 1HB GLN 104 2HB GLN 104 1.283 7.675 10.242 827 2HB GLN 104 1HB GLN 104 2.671 8.663 9.785 828 1HG GLN 104 2HG GLN 104 0.950 8.216 7.498 829 2HG GLN 104 1HG GLN 104 0.035 8.917 8.833 830 1HE2 GLN 104 1HE2 GLN 104 -0.087 11.106 8.160 831 2HE2 GLN 104 2HE2 GLN 104 1.275 12.075 7.865 832 H THR 105 H THR 105 4.899 7.315 7.942 833 HA THR 105 HA THR 105 6.362 5.432 9.556 834 HB THR 105 HB THR 105 6.930 7.797 7.805 835 HG1 THR 105 1HG THR 105 6.851 5.193 7.577 836 1HG2 THR 105 1HG2 THR 105 8.681 6.770 9.964 837 2HG2 THR 105 2HG2 THR 105 8.671 8.347 9.175 838 3HG2 THR 105 3HG2 THR 105 9.446 6.972 8.388 839 H ASP 106 H ASP 106 6.287 5.628 11.781 840 HA ASP 106 HA ASP 106 5.856 8.031 13.251 841 1HB ASP 106 2HB ASP 106 5.620 6.342 14.737 842 2HB ASP 106 1HB ASP 106 6.494 5.234 13.679 843 H GLY 107 H GLY 107 8.139 8.016 11.171 844 1HA GLY 107 2HA GLY 107 9.998 9.550 11.156 845 2HA GLY 107 1HA GLY 107 10.082 9.424 12.914 846 H SER 108 H SER 108 9.707 6.342 12.220 847 HA SER 108 HA SER 108 12.615 5.797 12.269 848 1HB SER 108 2HB SER 108 11.571 3.409 12.542 849 2HB SER 108 1HB SER 108 11.389 4.570 13.854 850 HG SER 108 HG SER 108 9.335 4.217 13.574 851 H ALA 109 H ALA 109 13.726 4.880 10.550 852 HA ALA 109 HA ALA 109 13.228 5.099 7.917 853 1HB ALA 109 1HB ALA 109 14.947 3.641 9.462 854 2HB ALA 109 2HB ALA 109 14.917 3.569 7.700 855 3HB ALA 109 3HB ALA 109 14.062 2.352 8.646 856 H SER 110 H SER 110 11.421 4.705 6.704 857 HA SER 110 HA SER 110 9.432 2.710 7.555 858 1HB SER 110 2HB SER 110 9.455 5.141 6.202 859 2HB SER 110 1HB SER 110 9.118 3.971 4.929 860 HG SER 110 HG SER 110 7.246 4.771 6.106 861 HA PRO 111 HA PRO 111 11.256 -0.509 5.113 862 1HB PRO 111 2HB PRO 111 9.020 -2.154 5.137 863 2HB PRO 111 1HB PRO 111 10.229 -2.081 6.432 864 1HG PRO 111 2HG PRO 111 7.538 -0.846 6.284 865 2HG PRO 111 1HG PRO 111 8.415 -1.488 7.681 866 1HD PRO 111 2HD PRO 111 8.151 1.173 7.168 867 2HD PRO 111 1HD PRO 111 9.531 0.477 8.048 868 HA PRO 112 HA PRO 112 9.796 0.197 1.040 869 1HB PRO 112 2HB PRO 112 10.074 -2.337 -0.059 870 2HB PRO 112 1HB PRO 112 11.405 -1.183 0.157 871 1HG PRO 112 2HG PRO 112 10.661 -3.542 1.794 872 2HG PRO 112 1HG PRO 112 12.259 -2.874 1.429 873 1HD PRO 112 2HD PRO 112 11.009 -2.539 3.822 874 2HD PRO 112 1HD PRO 112 12.169 -1.371 3.153 875 HA PRO 113 HA PRO 113 5.555 -0.832 0.698 876 1HB PRO 113 2HB PRO 113 5.966 -1.570 -2.147 877 2HB PRO 113 1HB PRO 113 4.928 -0.312 -1.450 878 1HG PRO 113 2HG PRO 113 7.213 0.253 -2.749 879 2HG PRO 113 1HG PRO 113 6.597 1.239 -1.416 880 1HD PRO 113 2HD PRO 113 8.870 -0.661 -1.458 881 2HD PRO 113 1HD PRO 113 8.625 0.797 -0.473 882 H ALA 114 H ALA 114 4.335 -2.764 -0.954 883 HA ALA 114 HA ALA 114 4.225 -5.117 0.343 884 1HB ALA 114 1HB ALA 114 4.615 -5.798 -2.419 885 2HB ALA 114 2HB ALA 114 3.847 -4.212 -2.337 886 3HB ALA 114 3HB ALA 114 3.092 -5.598 -1.551 887 HA PRO 115 HA PRO 115 8.019 -7.298 0.446 888 1HB PRO 115 2HB PRO 115 7.366 -9.781 -0.612 889 2HB PRO 115 1HB PRO 115 7.021 -9.274 1.053 890 1HG PRO 115 2HG PRO 115 5.219 -9.400 -1.298 891 2HG PRO 115 1HG PRO 115 4.871 -9.689 0.414 892 1HD PRO 115 2HD PRO 115 4.162 -7.412 -0.895 893 2HD PRO 115 1HD PRO 115 4.505 -7.473 0.849 894 H LYS 116 H LYS 116 9.760 -7.049 -0.904 895 HA LYS 116 HA LYS 116 9.412 -6.700 -3.774 896 1HB LYS 116 2HB LYS 116 11.213 -5.963 -1.790 897 2HB LYS 116 1HB LYS 116 12.129 -7.121 -2.755 898 1HG LYS 116 2HG LYS 116 11.540 -5.862 -4.806 899 2HG LYS 116 1HG LYS 116 10.670 -4.685 -3.821 900 1HD LYS 116 2HD LYS 116 12.841 -4.330 -2.541 901 2HD LYS 116 1HD LYS 116 13.637 -5.275 -3.799 902 1HE LYS 116 2HE LYS 116 12.852 -3.682 -5.516 903 2HE LYS 116 1HE LYS 116 12.041 -2.727 -4.257 904 1HZ LYS 116 1HZ LYS 116 14.928 -3.426 -4.207 905 2HZ LYS 116 2HZ LYS 116 14.328 -1.945 -4.785 906 H HIS 117 H HIS 117 9.040 -8.506 -5.024 907 HA HIS 117 HA HIS 117 10.694 -10.950 -4.465 908 1HB HIS 117 2HB HIS 117 8.661 -12.061 -5.636 909 2HB HIS 117 1HB HIS 117 8.426 -11.461 -3.994 910 HD1 HIS 117 1HD HIS 117 7.423 -8.906 -3.880 911 HD2 HIS 117 2HD HIS 117 6.883 -10.973 -7.459 912 HE1 HIS 117 1HE HIS 117 5.586 -7.696 -5.135 913 H HIS 118 H HIS 118 11.825 -11.793 -6.218 914 HA HIS 118 HA HIS 118 11.861 -10.173 -8.700 915 1HB HIS 118 2HB HIS 118 13.873 -10.985 -7.306 916 2HB HIS 118 1HB HIS 118 13.545 -12.580 -7.983 917 HD1 HIS 118 1HD HIS 118 14.384 -9.047 -9.097 918 HD2 HIS 118 2HD HIS 118 14.458 -12.937 -10.597 919 HE1 HIS 118 1HE HIS 118 15.563 -8.930 -11.335 920 H HIS 119 H HIS 119 10.886 -10.872 -10.569 921 HA HIS 119 HA HIS 119 9.225 -13.224 -10.627 922 1HB HIS 119 2HB HIS 119 9.073 -12.565 -13.066 923 2HB HIS 119 1HB HIS 119 8.740 -11.247 -11.943 924 HD1 HIS 119 1HD HIS 119 9.534 -9.906 -14.274 925 HD2 HIS 119 2HD HIS 119 12.488 -11.763 -11.994 926 HE1 HIS 119 1HE HIS 119 11.733 -8.852 -14.956 927 H ALA 120 H ALA 120 9.667 -15.274 -11.449 928 HA ALA 120 HA ALA 120 12.492 -15.958 -11.937 929 1HB ALA 120 1HB ALA 120 10.910 -17.283 -10.511 930 2HB ALA 120 2HB ALA 120 11.623 -18.239 -11.812 931 3HB ALA 120 3HB ALA 120 9.968 -17.645 -11.958 932 H SER 121 H SER 121 12.975 -17.419 -13.863 933 HA SER 121 HA SER 121 11.641 -16.315 -16.297 934 1HB SER 121 2HB SER 121 13.757 -17.165 -17.370 935 2HB SER 121 1HB SER 121 14.039 -15.974 -16.104 936 HG SER 121 HG SER 121 13.945 -18.710 -15.467 937 H LYS 122 H LYS 122 9.930 -17.688 -16.799 938 HA LYS 122 HA LYS 122 10.356 -20.634 -16.622 939 1HB LYS 122 2HB LYS 122 7.910 -18.892 -17.072 940 2HB LYS 122 1HB LYS 122 7.876 -20.649 -16.913 941 1HG LYS 122 2HG LYS 122 8.382 -20.595 -14.652 942 2HG LYS 122 1HG LYS 122 9.239 -19.058 -14.776 943 1HD LYS 122 2HD LYS 122 6.481 -18.696 -15.539 944 2HD LYS 122 1HD LYS 122 6.566 -19.462 -13.952 945 1HE LYS 122 2HE LYS 122 7.970 -16.894 -14.777 946 2HE LYS 122 1HE LYS 122 6.617 -17.040 -13.637 947 1HZ LYS 122 1HZ LYS 122 8.367 -17.165 -12.193 948 2HZ LYS 122 2HZ LYS 122 9.407 -17.890 -13.324 949 H VAL 123 H VAL 123 11.648 -20.917 -18.546 950 HA VAL 123 HA VAL 123 10.681 -19.908 -21.131 951 HB VAL 123 HB VAL 123 13.035 -20.010 -20.812 952 1HG1 VAL 123 1HG1 VAL 123 13.317 -22.880 -20.298 953 2HG1 VAL 123 2HG1 VAL 123 12.430 -22.042 -19.024 954 3HG1 VAL 123 3HG1 VAL 123 14.055 -21.514 -19.462 955 1HG2 VAL 123 1HG2 VAL 123 12.581 -22.621 -22.245 956 2HG2 VAL 123 2HG2 VAL 123 13.737 -21.343 -22.618 957 3HG2 VAL 123 3HG2 VAL 123 12.022 -21.108 -22.958 958 H ASP 124 H ASP 124 9.379 -21.047 -22.527 959 HA ASP 124 HA ASP 124 8.159 -23.546 -21.706 960 1HB ASP 124 2HB ASP 124 7.808 -22.964 -24.494 961 2HB ASP 124 1HB ASP 124 6.659 -22.722 -23.178 Start of MODEL 2 1 H SER 2 H SER 2 -3.423 -5.054 10.154 2 HA SER 2 HA SER 2 -6.027 -4.607 10.904 3 1HB SER 2 2HB SER 2 -4.131 -3.555 13.028 4 2HB SER 2 1HB SER 2 -5.865 -3.254 12.983 5 HG SER 2 HG SER 2 -5.078 -5.900 12.772 6 H ASN 3 H ASN 3 -3.484 -2.285 11.814 7 HA ASN 3 HA ASN 3 -4.534 -0.378 9.809 8 1HB ASN 3 2HB ASN 3 -4.113 0.769 11.753 9 2HB ASN 3 1HB ASN 3 -2.868 -0.370 12.269 10 1HD2 ASN 3 1HD2 ASN 3 -0.711 0.258 11.946 11 2HD2 ASN 3 2HD2 ASN 3 -0.230 1.595 11.016 12 H GLN 4 H GLN 4 -2.593 -2.905 9.442 13 HA GLN 4 HA GLN 4 -0.113 -1.921 8.418 14 1HB GLN 4 2HB GLN 4 -1.690 -4.367 8.516 15 2HB GLN 4 1HB GLN 4 -0.826 -4.225 6.986 16 1HG GLN 4 2HG GLN 4 1.287 -3.941 8.130 17 2HG GLN 4 1HG GLN 4 0.479 -3.849 9.694 18 1HE2 GLN 4 1HE2 GLN 4 -1.454 -6.044 8.892 19 2HE2 GLN 4 2HE2 GLN 4 -0.554 -7.480 9.001 20 H ILE 5 H ILE 5 -0.437 -0.128 7.012 21 HA ILE 5 HA ILE 5 -2.054 -0.649 4.544 22 HB ILE 5 HB ILE 5 -1.398 1.708 6.254 23 1HG1 ILE 5 2HG1 ILE 5 -3.818 2.171 5.156 24 2HG1 ILE 5 1HG1 ILE 5 -3.751 0.419 4.957 25 1HG2 ILE 5 1HG2 ILE 5 -1.451 1.719 3.269 26 2HG2 ILE 5 2HG2 ILE 5 -0.571 2.767 4.380 27 3HG2 ILE 5 3HG2 ILE 5 -2.292 3.028 4.100 28 1HD1 ILE 5 1HD1 ILE 5 -4.772 0.978 7.116 29 2HD1 ILE 5 2HD1 ILE 5 -3.355 1.931 7.557 30 3HD1 ILE 5 3HD1 ILE 5 -3.219 0.182 7.370 31 H TYR 6 H TYR 6 -0.405 -1.715 3.314 32 HA TYR 6 HA TYR 6 2.217 -0.385 2.974 33 1HB TYR 6 2HB TYR 6 0.937 -2.932 1.937 34 2HB TYR 6 1HB TYR 6 2.584 -2.443 1.537 35 HD1 TYR 6 1HD TYR 6 0.401 -2.709 4.586 36 HD2 TYR 6 2HD TYR 6 4.284 -3.325 2.854 37 HE1 TYR 6 1HE TYR 6 1.207 -3.659 6.730 38 HE2 TYR 6 2HE TYR 6 5.089 -4.275 4.999 39 HH TYR 6 HH TYR 6 4.498 -4.158 7.397 40 H SER 7 H SER 7 2.990 0.119 0.755 41 HA SER 7 HA SER 7 0.766 1.158 -0.952 42 1HB SER 7 2HB SER 7 2.846 2.451 0.116 43 2HB SER 7 1HB SER 7 3.654 1.849 -1.328 44 HG SER 7 HG SER 7 2.084 3.933 -1.133 45 H ALA 8 H ALA 8 0.527 0.400 -3.042 46 HA ALA 8 HA ALA 8 2.706 -1.221 -4.266 47 1HB ALA 8 1HB ALA 8 0.126 -2.480 -4.641 48 2HB ALA 8 2HB ALA 8 0.457 -2.278 -2.920 49 3HB ALA 8 3HB ALA 8 1.594 -3.161 -3.940 50 H ARG 9 H ARG 9 2.469 -1.373 -6.599 51 HA ARG 9 HA ARG 9 0.221 0.124 -7.838 52 1HB ARG 9 2HB ARG 9 1.883 1.821 -7.318 53 2HB ARG 9 1HB ARG 9 3.163 0.840 -8.028 54 1HG ARG 9 2HG ARG 9 0.769 1.705 -9.648 55 2HG ARG 9 1HG ARG 9 2.190 2.736 -9.484 56 1HD ARG 9 2HD ARG 9 2.019 -0.017 -10.734 57 2HD ARG 9 1HD ARG 9 2.640 1.483 -11.450 58 HE ARG 9 HE ARG 9 4.212 1.111 -9.190 59 1HH1 ARG 9 1HH1 ARG 9 3.346 -0.727 -11.975 60 1HH2 ARG 9 1HH2 ARG 9 6.169 -0.018 -9.243 61 2HH2 ARG 9 2HH2 ARG 9 6.439 -1.198 -10.482 62 H TYR 10 H TYR 10 -0.388 -0.962 -9.665 63 HA TYR 10 HA TYR 10 1.673 -2.408 -11.259 64 1HB TYR 10 2HB TYR 10 -0.927 -3.650 -10.315 65 2HB TYR 10 1HB TYR 10 0.404 -4.461 -11.140 66 HD1 TYR 10 1HD TYR 10 2.316 -5.245 -9.944 67 HD2 TYR 10 2HD TYR 10 -0.583 -2.751 -7.988 68 HE1 TYR 10 1HE TYR 10 3.388 -5.715 -7.758 69 HE2 TYR 10 2HE TYR 10 0.489 -3.221 -5.802 70 HH TYR 10 HH TYR 10 2.044 -5.378 -4.944 71 H SER 11 H SER 11 0.582 -3.251 -13.349 72 HA SER 11 HA SER 11 -0.607 -2.752 -15.324 73 1HB SER 11 2HB SER 11 -2.749 -3.137 -14.734 74 2HB SER 11 1HB SER 11 -2.347 -2.766 -13.060 75 HG SER 11 HG SER 11 -3.823 -1.262 -13.596 76 H GLY 12 H GLY 12 1.279 -0.729 -14.448 77 1HA GLY 12 2HA GLY 12 1.849 1.441 -15.143 78 2HA GLY 12 1HA GLY 12 0.321 1.498 -16.021 79 H VAL 13 H VAL 13 -0.721 0.678 -13.084 80 HA VAL 13 HA VAL 13 -0.778 3.507 -12.079 81 HB VAL 13 HB VAL 13 -2.987 1.453 -12.386 82 1HG1 VAL 13 1HG1 VAL 13 -4.447 2.897 -11.182 83 2HG1 VAL 13 2HG1 VAL 13 -3.268 4.208 -11.175 84 3HG1 VAL 13 3HG1 VAL 13 -2.998 2.774 -10.185 85 1HG2 VAL 13 1HG2 VAL 13 -4.005 3.210 -13.782 86 2HG2 VAL 13 2HG2 VAL 13 -2.405 2.788 -14.392 87 3HG2 VAL 13 3HG2 VAL 13 -2.632 4.270 -13.463 88 H ASP 14 H ASP 14 -0.424 3.701 -9.863 89 HA ASP 14 HA ASP 14 0.403 1.323 -8.383 90 1HB ASP 14 2HB ASP 14 1.235 2.912 -6.860 91 2HB ASP 14 1HB ASP 14 1.282 3.791 -8.389 92 H VAL 15 H VAL 15 -0.528 0.821 -6.221 93 HA VAL 15 HA VAL 15 -3.320 1.718 -5.751 94 HB VAL 15 HB VAL 15 -3.864 -0.822 -5.562 95 1HG1 VAL 15 1HG1 VAL 15 -4.981 -0.329 -7.451 96 2HG1 VAL 15 2HG1 VAL 15 -3.502 -0.549 -8.387 97 3HG1 VAL 15 3HG1 VAL 15 -3.902 1.038 -7.729 98 1HG2 VAL 15 1HG2 VAL 15 -1.834 -1.940 -5.726 99 2HG2 VAL 15 2HG2 VAL 15 -1.170 -0.780 -6.877 100 3HG2 VAL 15 3HG2 VAL 15 -2.349 -1.979 -7.412 101 H TYR 16 H TYR 16 -4.109 0.404 -3.657 102 HA TYR 16 HA TYR 16 -1.811 0.378 -1.727 103 1HB TYR 16 2HB TYR 16 -4.736 0.904 -1.142 104 2HB TYR 16 1HB TYR 16 -3.345 1.302 -0.134 105 HD1 TYR 16 1HD TYR 16 -2.951 3.591 -0.040 106 HD2 TYR 16 2HD TYR 16 -4.236 1.840 -3.745 107 HE1 TYR 16 1HE TYR 16 -2.783 5.806 -1.144 108 HE2 TYR 16 2HE TYR 16 -4.069 4.055 -4.850 109 HH TYR 16 HH TYR 16 -2.823 6.195 -4.495 110 H GLU 17 H GLU 17 -1.666 -1.442 -0.359 111 HA GLU 17 HA GLU 17 -3.706 -3.593 -0.836 112 1HB GLU 17 2HB GLU 17 -1.714 -5.106 -0.368 113 2HB GLU 17 1HB GLU 17 -1.593 -4.151 -1.845 114 1HG GLU 17 2HG GLU 17 -0.401 -2.395 -0.331 115 2HG GLU 17 1HG GLU 17 -0.176 -3.748 0.779 116 H PHE 18 H PHE 18 -4.857 -4.064 0.970 117 HA PHE 18 HA PHE 18 -3.505 -3.875 3.636 118 1HB PHE 18 2HB PHE 18 -6.340 -2.988 3.037 119 2HB PHE 18 1HB PHE 18 -5.406 -2.683 4.501 120 HD1 PHE 18 1HD PHE 18 -6.059 -1.639 1.068 121 HD2 PHE 18 2HD PHE 18 -3.459 -1.124 4.448 122 HE1 PHE 18 1HE PHE 18 -5.178 0.453 0.071 123 HE2 PHE 18 2HE PHE 18 -2.578 0.968 3.451 124 HZ PHE 18 HZ PHE 18 -3.437 1.758 1.263 125 H ILE 19 H ILE 19 -4.045 -5.586 5.008 126 HA ILE 19 HA ILE 19 -5.510 -7.845 3.847 127 HB ILE 19 HB ILE 19 -3.719 -7.228 6.107 128 1HG1 ILE 19 2HG1 ILE 19 -3.104 -8.524 4.060 129 2HG1 ILE 19 1HG1 ILE 19 -2.848 -9.443 5.543 130 1HG2 ILE 19 1HG2 ILE 19 -4.960 -9.711 6.784 131 2HG2 ILE 19 2HG2 ILE 19 -6.224 -8.486 6.671 132 3HG2 ILE 19 3HG2 ILE 19 -4.857 -8.244 7.759 133 1HD1 ILE 19 1HD1 ILE 19 -4.483 -10.948 5.046 134 2HD1 ILE 19 2HD1 ILE 19 -4.240 -10.385 3.392 135 3HD1 ILE 19 3HD1 ILE 19 -5.546 -9.714 4.368 136 H HIS 20 H HIS 20 -7.642 -8.301 4.215 137 HA HIS 20 HA HIS 20 -8.978 -7.255 6.654 138 1HB HIS 20 2HB HIS 20 -9.014 -5.607 4.645 139 2HB HIS 20 1HB HIS 20 -10.142 -6.749 3.914 140 HD1 HIS 20 1HD HIS 20 -9.794 -4.388 6.830 141 HD2 HIS 20 2HD HIS 20 -12.715 -6.802 5.093 142 HE1 HIS 20 1HE HIS 20 -11.986 -3.769 7.937 143 H SER 21 H SER 21 -11.580 -7.795 5.143 144 HA SER 21 HA SER 21 -11.974 -10.514 5.957 145 1HB SER 21 2HB SER 21 -14.041 -10.132 4.384 146 2HB SER 21 1HB SER 21 -13.879 -9.144 5.833 147 HG SER 21 HG SER 21 -14.101 -8.286 3.401 148 H THR 22 H THR 22 -11.187 -9.032 2.825 149 HA THR 22 HA THR 22 -11.155 -11.698 1.509 150 HB THR 22 HB THR 22 -12.165 -9.481 0.603 151 HG1 THR 22 1HG THR 22 -10.326 -11.072 -0.843 152 1HG2 THR 22 1HG2 THR 22 -9.557 -8.611 1.107 153 2HG2 THR 22 2HG2 THR 22 -10.791 -7.744 0.192 154 3HG2 THR 22 3HG2 THR 22 -9.635 -8.778 -0.647 155 H GLY 23 H GLY 23 -9.121 -10.321 3.522 156 1HA GLY 23 2HA GLY 23 -6.825 -10.968 3.821 157 2HA GLY 23 1HA GLY 23 -6.727 -11.324 2.094 158 H SER 24 H SER 24 -5.521 -9.875 0.989 159 HA SER 24 HA SER 24 -4.979 -7.209 2.150 160 1HB SER 24 2HB SER 24 -3.265 -8.813 1.162 161 2HB SER 24 1HB SER 24 -3.971 -8.469 -0.415 162 HG SER 24 HG SER 24 -3.564 -6.164 0.830 163 H ILE 25 H ILE 25 -5.561 -5.259 1.123 164 HA ILE 25 HA ILE 25 -7.564 -5.518 -1.096 165 HB ILE 25 HB ILE 25 -7.323 -3.900 1.397 166 1HG1 ILE 25 2HG1 ILE 25 -9.677 -4.937 -0.216 167 2HG1 ILE 25 1HG1 ILE 25 -8.929 -5.778 1.141 168 1HG2 ILE 25 1HG2 ILE 25 -7.650 -1.922 0.367 169 2HG2 ILE 25 2HG2 ILE 25 -9.215 -2.535 -0.166 170 3HG2 ILE 25 3HG2 ILE 25 -7.800 -2.706 -1.206 171 1HD1 ILE 25 1HD1 ILE 25 -9.490 -3.112 1.983 172 2HD1 ILE 25 2HD1 ILE 25 -10.213 -4.609 2.569 173 3HD1 ILE 25 3HD1 ILE 25 -10.944 -3.747 1.215 174 H MET 26 H MET 26 -6.862 -4.672 -3.019 175 HA MET 26 HA MET 26 -4.531 -2.810 -2.995 176 1HB MET 26 2HB MET 26 -5.834 -4.610 -5.049 177 2HB MET 26 1HB MET 26 -4.549 -3.476 -5.465 178 1HG MET 26 2HG MET 26 -3.517 -4.733 -3.240 179 2HG MET 26 1HG MET 26 -4.390 -6.041 -4.037 180 1HE MET 26 1HE MET 26 -0.807 -3.632 -5.520 181 2HE MET 26 2HE MET 26 -1.168 -4.079 -3.854 182 3HE MET 26 3HE MET 26 -2.224 -2.955 -4.706 183 H LYS 27 H LYS 27 -4.916 -0.671 -3.382 184 HA LYS 27 HA LYS 27 -7.589 0.177 -4.361 185 1HB LYS 27 2HB LYS 27 -5.375 1.230 -2.732 186 2HB LYS 27 1HB LYS 27 -6.074 2.426 -3.823 187 1HG LYS 27 2HG LYS 27 -8.039 2.499 -2.685 188 2HG LYS 27 1HG LYS 27 -8.060 0.754 -2.427 189 1HD LYS 27 2HD LYS 27 -7.598 1.295 -0.265 190 2HD LYS 27 1HD LYS 27 -5.948 1.496 -0.854 191 1HE LYS 27 2HE LYS 27 -6.343 3.553 0.226 192 2HE LYS 27 1HE LYS 27 -6.774 3.937 -1.452 193 1HZ LYS 27 1HZ LYS 27 -8.490 3.599 0.859 194 2HZ LYS 27 2HZ LYS 27 -8.746 4.499 -0.560 195 H ARG 28 H ARG 28 -7.883 1.149 -6.368 196 HA ARG 28 HA ARG 28 -5.746 0.907 -8.346 197 1HB ARG 28 2HB ARG 28 -8.482 0.817 -8.336 198 2HB ARG 28 1HB ARG 28 -8.198 2.439 -8.970 199 1HG ARG 28 2HG ARG 28 -6.526 1.366 -10.580 200 2HG ARG 28 1HG ARG 28 -7.197 -0.188 -10.084 201 1HD ARG 28 2HD ARG 28 -9.479 0.650 -10.739 202 2HD ARG 28 1HD ARG 28 -8.698 2.101 -11.400 203 HE ARG 28 HE ARG 28 -7.908 -0.639 -12.313 204 1HH1 ARG 28 1HH1 ARG 28 -8.829 2.644 -12.826 205 1HH2 ARG 28 1HH2 ARG 28 -7.579 -0.735 -14.547 206 2HH2 ARG 28 2HH2 ARG 28 -7.875 0.672 -15.514 207 H LYS 29 H LYS 29 -4.130 2.424 -8.271 208 HA LYS 29 HA LYS 29 -4.293 5.043 -7.177 209 1HB LYS 29 2HB LYS 29 -2.196 3.926 -7.543 210 2HB LYS 29 1HB LYS 29 -2.525 3.757 -9.268 211 1HG LYS 29 2HG LYS 29 -2.301 6.441 -7.887 212 2HG LYS 29 1HG LYS 29 -0.934 5.641 -8.662 213 1HD LYS 29 2HD LYS 29 -3.471 5.946 -10.220 214 2HD LYS 29 1HD LYS 29 -2.438 7.361 -10.014 215 1HE LYS 29 2HE LYS 29 -1.532 4.679 -11.128 216 2HE LYS 29 1HE LYS 29 -1.819 6.151 -12.078 217 1HZ LYS 29 1HZ LYS 29 0.448 5.472 -10.525 218 2HZ LYS 29 2HZ LYS 29 -0.261 6.888 -9.909 219 H LYS 30 H LYS 30 -5.074 3.817 -10.388 220 HA LYS 30 HA LYS 30 -5.068 6.048 -12.019 221 1HB LYS 30 2HB LYS 30 -6.925 3.723 -11.634 222 2HB LYS 30 1HB LYS 30 -7.360 4.967 -12.806 223 1HG LYS 30 2HG LYS 30 -4.590 4.345 -13.157 224 2HG LYS 30 1HG LYS 30 -5.494 2.831 -13.124 225 1HD LYS 30 2HD LYS 30 -5.525 3.535 -15.402 226 2HD LYS 30 1HD LYS 30 -7.120 3.938 -14.765 227 1HE LYS 30 2HE LYS 30 -6.779 6.108 -15.309 228 2HE LYS 30 1HE LYS 30 -5.359 6.149 -14.244 229 1HZ LYS 30 1HZ LYS 30 -5.481 5.320 -17.089 230 2HZ LYS 30 2HZ LYS 30 -4.539 6.556 -16.401 231 H ASP 31 H ASP 31 -7.866 5.141 -9.980 232 HA ASP 31 HA ASP 31 -8.619 8.046 -9.906 233 1HB ASP 31 2HB ASP 31 -10.027 5.568 -10.505 234 2HB ASP 31 1HB ASP 31 -10.820 6.449 -9.199 235 H ASP 32 H ASP 32 -8.900 5.007 -8.038 236 HA ASP 32 HA ASP 32 -7.785 5.205 -5.701 237 1HB ASP 32 2HB ASP 32 -7.843 7.588 -5.619 238 2HB ASP 32 1HB ASP 32 -9.571 7.633 -5.971 239 H TRP 33 H TRP 33 -9.596 3.435 -6.861 240 HA TRP 33 HA TRP 33 -12.064 3.465 -5.208 241 1HB TRP 33 2HB TRP 33 -11.483 1.230 -7.055 242 2HB TRP 33 1HB TRP 33 -12.922 2.242 -6.938 243 HD1 TRP 33 HD TRP 33 -9.241 2.666 -8.075 244 HE1 TRP 33 1HE TRP 33 -9.217 4.210 -10.139 245 HE3 TRP 33 3HE TRP 33 -14.223 3.725 -8.443 246 HZ2 TRP 33 2HZ TRP 33 -11.066 5.697 -11.736 247 HZ3 TRP 33 3HZ TRP 33 -15.064 5.206 -10.243 248 HH2 TRP 33 HH TRP 33 -13.493 6.193 -11.889 249 H VAL 34 H VAL 34 -12.646 1.485 -3.991 250 HA VAL 34 HA VAL 34 -10.233 -0.032 -3.047 251 HB VAL 34 HB VAL 34 -11.625 1.758 -1.620 252 1HG1 VAL 34 1HG1 VAL 34 -13.264 0.431 -0.196 253 2HG1 VAL 34 2HG1 VAL 34 -13.172 -0.838 -1.417 254 3HG1 VAL 34 3HG1 VAL 34 -13.795 0.755 -1.847 255 1HG2 VAL 34 1HG2 VAL 34 -10.068 -0.634 -1.019 256 2HG2 VAL 34 2HG2 VAL 34 -11.214 -0.265 0.269 257 3HG2 VAL 34 3HG2 VAL 34 -10.035 0.946 -0.234 258 H ASN 35 H ASN 35 -10.673 -2.269 -2.410 259 HA ASN 35 HA ASN 35 -12.434 -3.684 -4.190 260 1HB ASN 35 2HB ASN 35 -11.758 -5.321 -1.995 261 2HB ASN 35 1HB ASN 35 -10.892 -5.198 -3.527 262 1HD2 ASN 35 1HD2 ASN 35 -8.809 -5.457 -2.392 263 2HD2 ASN 35 2HD2 ASN 35 -8.154 -4.179 -1.487 264 H ALA 36 H ALA 36 -14.628 -3.109 -3.901 265 HA ALA 36 HA ALA 36 -16.065 -2.542 -1.598 266 1HB ALA 36 1HB ALA 36 -17.424 -2.430 -3.426 267 2HB ALA 36 2HB ALA 36 -17.801 -4.111 -3.046 268 3HB ALA 36 3HB ALA 36 -16.569 -3.732 -4.251 269 H THR 37 H THR 37 -14.695 -5.634 -2.516 270 HA THR 37 HA THR 37 -16.316 -7.394 -0.969 271 HB THR 37 HB THR 37 -13.323 -7.585 -1.403 272 HG1 THR 37 1HG THR 37 -15.276 -8.471 -3.224 273 1HG2 THR 37 1HG2 THR 37 -15.586 -9.517 -0.962 274 2HG2 THR 37 2HG2 THR 37 -14.026 -9.433 -0.143 275 3HG2 THR 37 3HG2 THR 37 -14.121 -10.036 -1.798 276 H HIS 38 H HIS 38 -13.405 -5.524 -0.095 277 HA HIS 38 HA HIS 38 -13.238 -6.473 2.626 278 1HB HIS 38 2HB HIS 38 -11.291 -5.384 2.203 279 2HB HIS 38 1HB HIS 38 -12.007 -4.519 0.842 280 HD1 HIS 38 1HD HIS 38 -11.998 -2.061 1.194 281 HD2 HIS 38 2HD HIS 38 -12.423 -4.108 4.800 282 HE1 HIS 38 1HE HIS 38 -12.152 -0.297 3.005 283 H ILE 39 H ILE 39 -15.108 -4.015 0.991 284 HA ILE 39 HA ILE 39 -16.043 -2.767 3.505 285 HB ILE 39 HB ILE 39 -16.134 -2.300 0.567 286 1HG1 ILE 39 2HG1 ILE 39 -16.161 0.117 1.908 287 2HG1 ILE 39 1HG1 ILE 39 -15.329 -0.944 3.047 288 1HG2 ILE 39 1HG2 ILE 39 -17.987 -0.567 1.005 289 2HG2 ILE 39 2HG2 ILE 39 -18.342 -1.495 2.462 290 3HG2 ILE 39 3HG2 ILE 39 -18.483 -2.255 0.877 291 1HD1 ILE 39 1HD1 ILE 39 -13.952 -1.729 1.001 292 2HD1 ILE 39 2HD1 ILE 39 -13.593 -0.135 1.664 293 3HD1 ILE 39 3HD1 ILE 39 -14.571 -0.283 0.203 294 H LEU 40 H LEU 40 -17.480 -4.456 0.701 295 HA LEU 40 HA LEU 40 -19.986 -4.936 2.208 296 1HB LEU 40 2HB LEU 40 -19.113 -4.668 -0.520 297 2HB LEU 40 1HB LEU 40 -19.918 -6.227 -0.333 298 HG LEU 40 HG LEU 40 -21.258 -3.914 -0.781 299 1HD1 LEU 40 1HD1 LEU 40 -23.057 -5.285 -0.585 300 2HD1 LEU 40 2HD1 LEU 40 -22.692 -5.666 1.098 301 3HD1 LEU 40 3HD1 LEU 40 -21.877 -6.538 -0.200 302 1HD2 LEU 40 1HD2 LEU 40 -21.954 -2.850 1.168 303 2HD2 LEU 40 2HD2 LEU 40 -20.301 -3.277 1.609 304 3HD2 LEU 40 3HD2 LEU 40 -21.649 -4.266 2.172 305 H LYS 41 H LYS 41 -17.482 -6.864 0.522 306 HA LYS 41 HA LYS 41 -18.458 -9.428 1.391 307 1HB LYS 41 2HB LYS 41 -16.985 -9.107 -0.532 308 2HB LYS 41 1HB LYS 41 -15.731 -8.429 0.508 309 1HG LYS 41 2HG LYS 41 -16.579 -10.997 1.526 310 2HG LYS 41 1HG LYS 41 -16.096 -11.145 -0.164 311 1HD LYS 41 2HD LYS 41 -14.247 -9.422 1.227 312 2HD LYS 41 1HD LYS 41 -14.398 -10.954 2.089 313 1HE LYS 41 2HE LYS 41 -14.270 -11.415 -0.778 314 2HE LYS 41 1HE LYS 41 -12.857 -10.499 -0.216 315 1HZ LYS 41 1HZ LYS 41 -12.614 -12.938 0.058 316 2HZ LYS 41 2HZ LYS 41 -12.496 -12.082 1.521 317 H ALA 42 H ALA 42 -16.464 -6.982 2.887 318 HA ALA 42 HA ALA 42 -15.180 -8.633 4.874 319 1HB ALA 42 1HB ALA 42 -15.866 -5.705 4.572 320 2HB ALA 42 2HB ALA 42 -14.287 -6.478 4.427 321 3HB ALA 42 3HB ALA 42 -15.042 -6.305 6.011 322 H ALA 43 H ALA 43 -18.383 -7.299 4.557 323 HA ALA 43 HA ALA 43 -19.010 -8.164 7.364 324 1HB ALA 43 1HB ALA 43 -20.193 -6.010 5.584 325 2HB ALA 43 2HB ALA 43 -19.198 -5.759 7.019 326 3HB ALA 43 3HB ALA 43 -20.820 -6.432 7.177 327 H ASN 44 H ASN 44 -19.318 -9.203 4.253 328 HA ASN 44 HA ASN 44 -21.804 -10.703 4.905 329 1HB ASN 44 2HB ASN 44 -22.839 -10.013 2.807 330 2HB ASN 44 1HB ASN 44 -22.381 -8.571 3.715 331 1HD2 ASN 44 1HD2 ASN 44 -21.526 -7.044 2.302 332 2HD2 ASN 44 2HD2 ASN 44 -20.486 -7.388 1.006 333 H PHE 45 H PHE 45 -18.738 -11.075 4.250 334 HA PHE 45 HA PHE 45 -17.427 -12.631 3.031 335 1HB PHE 45 2HB PHE 45 -19.816 -14.400 2.861 336 2HB PHE 45 1HB PHE 45 -18.214 -14.740 3.517 337 HD1 PHE 45 1HD PHE 45 -21.421 -14.724 4.528 338 HD2 PHE 45 2HD PHE 45 -17.745 -12.730 5.509 339 HE1 PHE 45 1HE PHE 45 -22.265 -14.295 6.820 340 HE2 PHE 45 2HE PHE 45 -18.589 -12.300 7.800 341 HZ PHE 45 HZ PHE 45 -20.848 -13.084 8.456 342 H ALA 46 H ALA 46 -17.146 -13.603 0.883 343 HA ALA 46 HA ALA 46 -18.824 -12.266 -1.169 344 1HB ALA 46 1HB ALA 46 -16.096 -12.915 -0.807 345 2HB ALA 46 2HB ALA 46 -16.826 -12.160 -2.224 346 3HB ALA 46 3HB ALA 46 -16.651 -13.914 -2.151 347 H LYS 47 H LYS 47 -20.709 -13.560 -1.121 348 HA LYS 47 HA LYS 47 -20.385 -16.291 -2.305 349 1HB LYS 47 2HB LYS 47 -22.602 -15.673 -0.385 350 2HB LYS 47 1HB LYS 47 -21.767 -17.201 -0.667 351 1HG LYS 47 2HG LYS 47 -19.691 -15.811 0.280 352 2HG LYS 47 1HG LYS 47 -20.981 -14.906 1.073 353 1HD LYS 47 2HD LYS 47 -20.685 -16.558 2.652 354 2HD LYS 47 1HD LYS 47 -21.857 -17.374 1.616 355 1HE LYS 47 2HE LYS 47 -18.850 -17.750 1.671 356 2HE LYS 47 1HE LYS 47 -20.114 -18.975 1.894 357 1HZ LYS 47 1HZ LYS 47 -19.283 -19.067 -0.361 358 2HZ LYS 47 2HZ LYS 47 -20.885 -18.501 -0.370 359 H ALA 48 H ALA 48 -23.091 -16.828 -2.722 360 HA ALA 48 HA ALA 48 -23.758 -15.364 -5.038 361 1HB ALA 48 1HB ALA 48 -25.019 -17.220 -3.148 362 2HB ALA 48 2HB ALA 48 -25.186 -17.137 -4.902 363 3HB ALA 48 3HB ALA 48 -26.184 -16.111 -3.870 364 H LYS 49 H LYS 49 -24.175 -14.606 -1.658 365 HA LYS 49 HA LYS 49 -26.086 -12.457 -1.940 366 1HB LYS 49 2HB LYS 49 -24.387 -13.723 0.070 367 2HB LYS 49 1HB LYS 49 -24.451 -11.973 0.284 368 1HG LYS 49 2HG LYS 49 -26.869 -12.005 0.365 369 2HG LYS 49 1HG LYS 49 -26.906 -13.715 -0.065 370 1HD LYS 49 2HD LYS 49 -25.570 -14.167 2.044 371 2HD LYS 49 1HD LYS 49 -25.855 -12.486 2.495 372 1HE LYS 49 2HE LYS 49 -28.356 -13.672 1.682 373 2HE LYS 49 1HE LYS 49 -27.597 -14.681 2.929 374 1HZ LYS 49 1HZ LYS 49 -28.923 -12.387 3.432 375 2HZ LYS 49 2HZ LYS 49 -27.747 -13.064 4.454 376 H ARG 50 H ARG 50 -22.509 -12.512 -1.587 377 HA ARG 50 HA ARG 50 -22.095 -9.707 -1.899 378 1HB ARG 50 2HB ARG 50 -20.262 -10.872 -1.085 379 2HB ARG 50 1HB ARG 50 -20.527 -12.241 -2.166 380 1HG ARG 50 2HG ARG 50 -19.815 -9.609 -3.392 381 2HG ARG 50 1HG ARG 50 -18.536 -10.520 -2.588 382 1HD ARG 50 2HD ARG 50 -18.879 -12.430 -4.020 383 2HD ARG 50 1HD ARG 50 -20.364 -11.726 -4.693 384 HE ARG 50 HE ARG 50 -18.359 -9.807 -5.107 385 1HH1 ARG 50 1HH1 ARG 50 -19.010 -13.088 -5.941 386 1HH2 ARG 50 1HH2 ARG 50 -17.246 -9.689 -7.071 387 2HH2 ARG 50 2HH2 ARG 50 -17.160 -11.089 -8.087 388 H THR 51 H THR 51 -22.699 -12.262 -4.237 389 HA THR 51 HA THR 51 -21.728 -10.883 -6.579 390 HB THR 51 HB THR 51 -23.476 -13.206 -5.888 391 HG1 THR 51 1HG THR 51 -21.998 -14.136 -7.439 392 1HG2 THR 51 1HG2 THR 51 -24.402 -11.587 -7.855 393 2HG2 THR 51 2HG2 THR 51 -24.591 -13.341 -7.875 394 3HG2 THR 51 3HG2 THR 51 -23.278 -12.585 -8.779 395 H ARG 52 H ARG 52 -24.809 -10.943 -4.836 396 HA ARG 52 HA ARG 52 -26.108 -9.195 -6.844 397 1HB ARG 52 2HB ARG 52 -26.833 -10.979 -4.643 398 2HB ARG 52 1HB ARG 52 -27.732 -9.462 -4.586 399 1HG ARG 52 2HG ARG 52 -29.059 -10.218 -6.235 400 2HG ARG 52 1HG ARG 52 -27.659 -10.270 -7.306 401 1HD ARG 52 2HD ARG 52 -27.674 -12.533 -7.270 402 2HD ARG 52 1HD ARG 52 -27.607 -12.536 -5.497 403 HE ARG 52 HE ARG 52 -29.880 -13.179 -5.694 404 1HH1 ARG 52 1HH1 ARG 52 -29.021 -10.677 -7.906 405 1HH2 ARG 52 1HH2 ARG 52 -32.008 -12.845 -6.381 406 2HH2 ARG 52 2HH2 ARG 52 -32.337 -11.638 -7.579 407 H ILE 53 H ILE 53 -25.996 -8.977 -3.281 408 HA ILE 53 HA ILE 53 -26.401 -6.244 -2.981 409 HB ILE 53 HB ILE 53 -24.358 -7.831 -1.406 410 1HG1 ILE 53 2HG1 ILE 53 -27.379 -7.945 -1.147 411 2HG1 ILE 53 1HG1 ILE 53 -26.397 -9.209 -1.887 412 1HG2 ILE 53 1HG2 ILE 53 -25.620 -6.563 0.466 413 2HG2 ILE 53 2HG2 ILE 53 -26.267 -5.565 -0.836 414 3HG2 ILE 53 3HG2 ILE 53 -24.527 -5.631 -0.557 415 1HD1 ILE 53 1HD1 ILE 53 -25.789 -10.031 0.125 416 2HD1 ILE 53 2HD1 ILE 53 -27.021 -8.983 0.828 417 3HD1 ILE 53 3HD1 ILE 53 -25.351 -8.429 0.718 418 H LEU 54 H LEU 54 -23.264 -7.878 -3.547 419 HA LEU 54 HA LEU 54 -21.694 -5.447 -3.573 420 1HB LEU 54 2HB LEU 54 -21.266 -8.176 -3.574 421 2HB LEU 54 1HB LEU 54 -20.786 -7.725 -5.210 422 HG LEU 54 HG LEU 54 -19.731 -5.740 -3.481 423 1HD1 LEU 54 1HD1 LEU 54 -19.973 -7.238 -1.593 424 2HD1 LEU 54 2HD1 LEU 54 -18.269 -7.208 -2.048 425 3HD1 LEU 54 3HD1 LEU 54 -19.282 -8.577 -2.509 426 1HD2 LEU 54 1HD2 LEU 54 -18.627 -6.334 -5.510 427 2HD2 LEU 54 2HD2 LEU 54 -18.569 -8.040 -5.066 428 3HD2 LEU 54 3HD2 LEU 54 -17.549 -6.875 -4.223 429 H GLU 55 H GLU 55 -22.737 -7.589 -6.228 430 HA GLU 55 HA GLU 55 -21.990 -6.017 -8.424 431 1HB GLU 55 2HB GLU 55 -24.040 -8.071 -7.789 432 2HB GLU 55 1HB GLU 55 -24.264 -7.182 -9.291 433 1HG GLU 55 2HG GLU 55 -21.490 -7.925 -8.999 434 2HG GLU 55 1HG GLU 55 -22.514 -9.354 -8.840 435 H LYS 56 H LYS 56 -25.085 -5.919 -6.618 436 HA LYS 56 HA LYS 56 -26.181 -3.733 -8.189 437 1HB LYS 56 2HB LYS 56 -27.797 -5.011 -7.103 438 2HB LYS 56 1HB LYS 56 -26.800 -5.228 -5.663 439 1HG LYS 56 2HG LYS 56 -27.319 -2.432 -5.973 440 2HG LYS 56 1HG LYS 56 -28.853 -3.294 -6.102 441 1HD LYS 56 2HD LYS 56 -27.206 -4.396 -3.975 442 2HD LYS 56 1HD LYS 56 -27.492 -2.671 -3.735 443 1HE LYS 56 2HE LYS 56 -29.928 -3.987 -4.616 444 2HE LYS 56 1HE LYS 56 -29.293 -4.745 -3.142 445 1HZ LYS 56 1HZ LYS 56 -28.833 -2.122 -2.711 446 2HZ LYS 56 2HZ LYS 56 -30.320 -2.076 -3.532 447 H GLU 57 H GLU 57 -24.857 -3.919 -4.869 448 HA GLU 57 HA GLU 57 -24.880 -1.147 -4.277 449 1HB GLU 57 2HB GLU 57 -24.416 -2.931 -2.651 450 2HB GLU 57 1HB GLU 57 -22.930 -3.348 -3.506 451 1HG GLU 57 2HG GLU 57 -22.452 -1.937 -1.535 452 2HG GLU 57 1HG GLU 57 -22.019 -1.107 -3.030 453 H VAL 58 H VAL 58 -22.314 -3.138 -5.774 454 HA VAL 58 HA VAL 58 -20.687 -0.761 -6.384 455 HB VAL 58 HB VAL 58 -20.053 -3.255 -5.734 456 1HG1 VAL 58 1HG1 VAL 58 -21.208 -4.334 -7.583 457 2HG1 VAL 58 2HG1 VAL 58 -19.471 -4.536 -7.811 458 3HG1 VAL 58 3HG1 VAL 58 -20.349 -3.329 -8.751 459 1HG2 VAL 58 1HG2 VAL 58 -18.132 -2.059 -5.965 460 2HG2 VAL 58 2HG2 VAL 58 -18.744 -1.182 -7.367 461 3HG2 VAL 58 3HG2 VAL 58 -18.050 -2.790 -7.568 462 H LEU 59 H LEU 59 -22.528 -3.239 -8.215 463 HA LEU 59 HA LEU 59 -22.060 -2.651 -10.843 464 1HB LEU 59 2HB LEU 59 -23.764 -4.206 -10.363 465 2HB LEU 59 1HB LEU 59 -24.609 -3.086 -9.293 466 HG LEU 59 HG LEU 59 -25.684 -3.460 -11.579 467 1HD1 LEU 59 1HD1 LEU 59 -25.270 -0.623 -11.714 468 2HD1 LEU 59 2HD1 LEU 59 -25.327 -1.107 -10.019 469 3HD1 LEU 59 3HD1 LEU 59 -26.670 -1.497 -11.091 470 1HD2 LEU 59 1HD2 LEU 59 -24.259 -1.561 -13.065 471 2HD2 LEU 59 2HD2 LEU 59 -24.281 -3.303 -13.342 472 3HD2 LEU 59 3HD2 LEU 59 -23.014 -2.585 -12.348 473 H LYS 60 H LYS 60 -24.127 -0.689 -8.689 474 HA LYS 60 HA LYS 60 -24.660 1.367 -10.666 475 1HB LYS 60 2HB LYS 60 -25.721 2.458 -8.812 476 2HB LYS 60 1HB LYS 60 -25.948 0.730 -8.533 477 1HG LYS 60 2HG LYS 60 -24.042 0.692 -7.001 478 2HG LYS 60 1HG LYS 60 -23.721 2.396 -7.324 479 1HD LYS 60 2HD LYS 60 -25.940 1.151 -5.746 480 2HD LYS 60 1HD LYS 60 -24.969 2.577 -5.378 481 1HE LYS 60 2HE LYS 60 -26.137 3.860 -7.120 482 2HE LYS 60 1HE LYS 60 -27.087 2.423 -7.557 483 1HZ LYS 60 1HZ LYS 60 -28.344 2.590 -5.724 484 2HZ LYS 60 2HZ LYS 60 -27.033 3.018 -4.731 485 H GLU 61 H GLU 61 -21.925 0.524 -8.859 486 HA GLU 61 HA GLU 61 -20.792 3.296 -9.025 487 1HB GLU 61 2HB GLU 61 -20.658 1.039 -7.128 488 2HB GLU 61 1HB GLU 61 -19.100 1.799 -7.455 489 1HG GLU 61 2HG GLU 61 -19.862 3.150 -5.730 490 2HG GLU 61 1HG GLU 61 -20.490 4.031 -7.123 491 H THR 62 H THR 62 -18.073 2.144 -8.672 492 HA THR 62 HA THR 62 -17.615 1.373 -11.513 493 HB THR 62 HB THR 62 -15.496 2.017 -9.476 494 HG1 THR 62 1HG THR 62 -16.110 4.254 -10.561 495 1HG2 THR 62 1HG2 THR 62 -14.865 3.353 -11.730 496 2HG2 THR 62 2HG2 THR 62 -15.850 2.067 -12.427 497 3HG2 THR 62 3HG2 THR 62 -14.425 1.665 -11.470 498 H HIS 63 H HIS 63 -18.658 -0.793 -10.308 499 HA HIS 63 HA HIS 63 -16.765 -2.444 -8.860 500 1HB HIS 63 2HB HIS 63 -18.761 -3.444 -8.510 501 2HB HIS 63 1HB HIS 63 -19.497 -2.478 -9.787 502 HD1 HIS 63 1HD HIS 63 -18.712 -5.891 -8.965 503 HD2 HIS 63 2HD HIS 63 -18.825 -3.685 -12.500 504 HE1 HIS 63 1HE HIS 63 -18.835 -7.572 -10.854 505 H GLU 64 H GLU 64 -15.045 -3.523 -9.750 506 HA GLU 64 HA GLU 64 -15.231 -4.407 -12.603 507 1HB GLU 64 2HB GLU 64 -13.280 -2.584 -11.245 508 2HB GLU 64 1HB GLU 64 -12.680 -3.644 -12.521 509 1HG GLU 64 2HG GLU 64 -13.391 -2.049 -13.962 510 2HG GLU 64 1HG GLU 64 -15.017 -2.636 -13.611 511 H LYS 65 H LYS 65 -14.010 -6.313 -13.043 512 HA LYS 65 HA LYS 65 -13.181 -7.839 -10.621 513 1HB LYS 65 2HB LYS 65 -14.002 -8.458 -13.453 514 2HB LYS 65 1HB LYS 65 -13.148 -9.672 -12.500 515 1HG LYS 65 2HG LYS 65 -15.342 -10.185 -11.948 516 2HG LYS 65 1HG LYS 65 -14.957 -9.031 -10.671 517 1HD LYS 65 2HD LYS 65 -16.792 -7.907 -11.378 518 2HD LYS 65 1HD LYS 65 -15.777 -7.381 -12.722 519 1HE LYS 65 2HE LYS 65 -16.591 -9.140 -14.145 520 2HE LYS 65 1HE LYS 65 -17.393 -9.950 -12.784 521 1HZ LYS 65 1HZ LYS 65 -19.154 -8.662 -13.117 522 2HZ LYS 65 2HZ LYS 65 -18.211 -7.290 -12.775 523 H VAL 66 H VAL 66 -11.009 -7.969 -10.181 524 HA VAL 66 HA VAL 66 -9.051 -7.085 -12.208 525 HB VAL 66 HB VAL 66 -7.600 -7.722 -10.037 526 1HG1 VAL 66 1HG1 VAL 66 -8.460 -5.388 -9.136 527 2HG1 VAL 66 2HG1 VAL 66 -9.330 -5.354 -10.670 528 3HG1 VAL 66 3HG1 VAL 66 -7.571 -5.480 -10.656 529 1HG2 VAL 66 1HG2 VAL 66 -8.787 -7.997 -8.101 530 2HG2 VAL 66 2HG2 VAL 66 -10.048 -8.566 -9.197 531 3HG2 VAL 66 3HG2 VAL 66 -10.070 -6.901 -8.616 532 H GLN 67 H GLN 67 -7.809 -8.492 -13.389 533 HA GLN 67 HA GLN 67 -7.473 -11.296 -12.426 534 1HB GLN 67 2HB GLN 67 -8.105 -10.811 -15.307 535 2HB GLN 67 1HB GLN 67 -8.513 -12.194 -14.291 536 1HG GLN 67 2HG GLN 67 -9.739 -9.565 -13.589 537 2HG GLN 67 1HG GLN 67 -10.359 -10.398 -15.015 538 1HE2 GLN 67 1HE2 GLN 67 -11.085 -10.062 -11.849 539 2HE2 GLN 67 2HE2 GLN 67 -11.705 -11.603 -11.506 540 H GLY 68 H GLY 68 -5.580 -12.322 -13.345 541 1HA GLY 68 2HA GLY 68 -3.592 -12.373 -14.695 542 2HA GLY 68 1HA GLY 68 -3.870 -10.683 -15.121 543 H GLY 69 H GLY 69 -4.406 -10.674 -11.926 544 1HA GLY 69 2HA GLY 69 -2.886 -10.636 -10.024 545 2HA GLY 69 1HA GLY 69 -1.534 -10.518 -11.152 546 H PHE 70 H PHE 70 -3.894 -8.510 -12.312 547 HA PHE 70 HA PHE 70 -2.519 -6.128 -11.176 548 1HB PHE 70 2HB PHE 70 -3.367 -5.026 -13.115 549 2HB PHE 70 1HB PHE 70 -2.915 -6.638 -13.670 550 HD1 PHE 70 1HD PHE 70 -4.529 -8.119 -14.577 551 HD2 PHE 70 2HD PHE 70 -5.797 -4.581 -12.497 552 HE1 PHE 70 1HE PHE 70 -6.863 -8.522 -15.315 553 HE2 PHE 70 2HE PHE 70 -8.130 -4.984 -13.234 554 HZ PHE 70 HZ PHE 70 -8.663 -6.954 -14.643 555 H GLY 71 H GLY 71 -3.598 -6.206 -9.063 556 1HA GLY 71 2HA GLY 71 -5.229 -5.208 -7.659 557 2HA GLY 71 1HA GLY 71 -6.187 -4.830 -9.092 558 H LYS 72 H LYS 72 -5.017 -8.076 -8.678 559 HA LYS 72 HA LYS 72 -7.708 -9.158 -8.738 560 1HB LYS 72 2HB LYS 72 -6.318 -10.729 -9.618 561 2HB LYS 72 1HB LYS 72 -4.911 -10.044 -8.804 562 1HG LYS 72 2HG LYS 72 -7.000 -11.745 -7.416 563 2HG LYS 72 1HG LYS 72 -5.479 -12.376 -8.048 564 1HD LYS 72 2HD LYS 72 -5.734 -10.174 -5.976 565 2HD LYS 72 1HD LYS 72 -5.301 -11.850 -5.635 566 1HE LYS 72 2HE LYS 72 -3.170 -11.609 -6.477 567 2HE LYS 72 1HE LYS 72 -3.684 -10.448 -7.718 568 1HZ LYS 72 1HZ LYS 72 -4.273 -9.322 -5.250 569 2HZ LYS 72 2HZ LYS 72 -2.687 -9.920 -5.128 570 H TYR 73 H TYR 73 -5.752 -7.904 -6.262 571 HA TYR 73 HA TYR 73 -6.731 -9.613 -4.092 572 1HB TYR 73 2HB TYR 73 -4.950 -7.279 -4.521 573 2HB TYR 73 1HB TYR 73 -5.738 -7.337 -2.945 574 HD1 TYR 73 1HD TYR 73 -2.822 -7.594 -3.076 575 HD2 TYR 73 2HD TYR 73 -5.866 -10.591 -3.517 576 HE1 TYR 73 1HE TYR 73 -1.217 -9.334 -2.334 577 HE2 TYR 73 2HE TYR 73 -4.262 -12.331 -2.776 578 HH TYR 73 HH TYR 73 -1.020 -11.937 -2.725 579 H GLN 74 H GLN 74 -7.674 -6.662 -5.731 580 HA GLN 74 HA GLN 74 -9.711 -6.012 -3.667 581 1HB GLN 74 2HB GLN 74 -9.326 -4.595 -6.291 582 2HB GLN 74 1HB GLN 74 -9.750 -3.919 -4.718 583 1HG GLN 74 2HG GLN 74 -7.583 -3.617 -4.165 584 2HG GLN 74 1HG GLN 74 -7.161 -5.257 -4.654 585 1HE2 GLN 74 1HE2 GLN 74 -7.923 -5.096 -7.422 586 2HE2 GLN 74 2HE2 GLN 74 -6.878 -4.005 -8.196 587 H GLY 75 H GLY 75 -9.530 -6.835 -7.146 588 1HA GLY 75 2HA GLY 75 -11.099 -7.971 -8.483 589 2HA GLY 75 1HA GLY 75 -12.006 -8.337 -7.013 590 H THR 76 H THR 76 -13.599 -6.856 -6.296 591 HA THR 76 HA THR 76 -14.545 -4.988 -8.419 592 HB THR 76 HB THR 76 -16.483 -5.139 -6.468 593 HG1 THR 76 1HG THR 76 -14.891 -6.758 -5.552 594 1HG2 THR 76 1HG2 THR 76 -16.646 -5.547 -8.953 595 2HG2 THR 76 2HG2 THR 76 -17.610 -6.651 -7.972 596 3HG2 THR 76 3HG2 THR 76 -16.078 -7.190 -8.659 597 H TRP 77 H TRP 77 -12.658 -3.528 -7.593 598 HA TRP 77 HA TRP 77 -12.968 -2.257 -4.988 599 1HB TRP 77 2HB TRP 77 -11.341 -0.613 -6.347 600 2HB TRP 77 1HB TRP 77 -10.785 -2.177 -5.752 601 HD1 TRP 77 HD TRP 77 -13.208 -2.317 -8.605 602 HE1 TRP 77 1HE TRP 77 -11.977 -3.001 -10.765 603 HE3 TRP 77 3HE TRP 77 -8.370 -1.926 -7.023 604 HZ2 TRP 77 2HZ TRP 77 -9.294 -3.336 -11.697 605 HZ3 TRP 77 3HZ TRP 77 -6.498 -2.432 -8.564 606 HH2 TRP 77 HH TRP 77 -6.952 -3.136 -10.898 607 H VAL 78 H VAL 78 -13.421 0.098 -4.772 608 HA VAL 78 HA VAL 78 -15.117 1.239 -6.950 609 HB VAL 78 HB VAL 78 -16.551 1.931 -4.778 610 1HG1 VAL 78 1HG1 VAL 78 -18.085 0.195 -5.373 611 2HG1 VAL 78 2HG1 VAL 78 -16.787 -0.845 -5.960 612 3HG1 VAL 78 3HG1 VAL 78 -17.225 0.609 -6.856 613 1HG2 VAL 78 1HG2 VAL 78 -15.809 -0.857 -3.996 614 2HG2 VAL 78 2HG2 VAL 78 -16.404 0.468 -2.995 615 3HG2 VAL 78 3HG2 VAL 78 -14.719 0.445 -3.517 616 HA PRO 79 HA PRO 79 -13.226 5.088 -6.105 617 1HB PRO 79 2HB PRO 79 -15.481 6.695 -5.565 618 2HB PRO 79 1HB PRO 79 -14.760 6.408 -7.159 619 1HG PRO 79 2HG PRO 79 -17.149 5.191 -5.921 620 2HG PRO 79 1HG PRO 79 -16.778 5.482 -7.627 621 1HD PRO 79 2HD PRO 79 -16.698 3.020 -6.496 622 2HD PRO 79 1HD PRO 79 -15.658 3.492 -7.859 623 H LEU 80 H LEU 80 -12.140 5.178 -4.159 624 HA LEU 80 HA LEU 80 -13.054 4.506 -1.611 625 1HB LEU 80 2HB LEU 80 -10.804 4.880 -1.586 626 2HB LEU 80 1HB LEU 80 -10.908 6.130 -2.827 627 HG LEU 80 HG LEU 80 -12.074 6.793 -0.171 628 1HD1 LEU 80 1HD1 LEU 80 -10.048 7.072 0.956 629 2HD1 LEU 80 2HD1 LEU 80 -9.105 7.080 -0.534 630 3HD1 LEU 80 3HD1 LEU 80 -9.760 5.565 0.088 631 1HD2 LEU 80 1HD2 LEU 80 -11.572 8.963 -0.822 632 2HD2 LEU 80 2HD2 LEU 80 -11.753 8.204 -2.403 633 3HD2 LEU 80 3HD2 LEU 80 -10.144 8.470 -1.731 634 H ASN 81 H ASN 81 -13.584 7.508 -3.392 635 HA ASN 81 HA ASN 81 -14.468 9.119 -1.170 636 1HB ASN 81 2HB ASN 81 -14.439 9.153 -4.127 637 2HB ASN 81 1HB ASN 81 -15.748 10.084 -3.401 638 1HD2 ASN 81 1HD2 ASN 81 -14.119 11.788 -4.563 639 2HD2 ASN 81 2HD2 ASN 81 -12.990 12.489 -3.509 640 H ILE 82 H ILE 82 -16.093 6.884 -3.386 641 HA ILE 82 HA ILE 82 -18.704 7.386 -2.035 642 HB ILE 82 HB ILE 82 -18.079 5.615 -4.413 643 1HG1 ILE 82 2HG1 ILE 82 -18.126 8.577 -4.169 644 2HG1 ILE 82 1HG1 ILE 82 -17.297 7.558 -5.346 645 1HG2 ILE 82 1HG2 ILE 82 -20.571 7.195 -4.238 646 2HG2 ILE 82 2HG2 ILE 82 -20.393 5.956 -2.994 647 3HG2 ILE 82 3HG2 ILE 82 -20.337 5.509 -4.699 648 1HD1 ILE 82 1HD1 ILE 82 -20.235 8.297 -5.310 649 2HD1 ILE 82 2HD1 ILE 82 -19.554 7.065 -6.373 650 3HD1 ILE 82 3HD1 ILE 82 -19.036 8.744 -6.524 651 H ALA 83 H ALA 83 -16.273 4.883 -2.635 652 HA ALA 83 HA ALA 83 -17.689 2.644 -1.559 653 1HB ALA 83 1HB ALA 83 -15.759 2.109 -2.739 654 2HB ALA 83 2HB ALA 83 -15.139 2.014 -1.091 655 3HB ALA 83 3HB ALA 83 -14.850 3.459 -2.060 656 H LYS 84 H LYS 84 -15.157 4.661 0.019 657 HA LYS 84 HA LYS 84 -15.436 3.607 2.625 658 1HB LYS 84 2HB LYS 84 -13.586 5.005 2.067 659 2HB LYS 84 1HB LYS 84 -14.641 6.300 1.501 660 1HG LYS 84 2HG LYS 84 -15.551 6.197 3.990 661 2HG LYS 84 1HG LYS 84 -13.963 5.499 4.304 662 1HD LYS 84 2HD LYS 84 -14.038 8.005 4.548 663 2HD LYS 84 1HD LYS 84 -12.855 7.438 3.370 664 1HE LYS 84 2HE LYS 84 -14.357 7.952 1.524 665 2HE LYS 84 1HE LYS 84 -15.658 8.374 2.656 666 1HZ LYS 84 1HZ LYS 84 -13.736 9.871 3.641 667 2HZ LYS 84 2HZ LYS 84 -13.199 9.827 2.029 668 H GLN 85 H GLN 85 -17.396 6.000 0.913 669 HA GLN 85 HA GLN 85 -18.803 6.976 3.250 670 1HB GLN 85 2HB GLN 85 -18.652 8.261 1.196 671 2HB GLN 85 1HB GLN 85 -19.390 6.950 0.276 672 1HG GLN 85 2HG GLN 85 -21.289 7.321 2.179 673 2HG GLN 85 1HG GLN 85 -20.658 8.963 2.044 674 1HE2 GLN 85 1HE2 GLN 85 -21.262 6.337 -0.369 675 2HE2 GLN 85 2HE2 GLN 85 -22.157 7.320 -1.425 676 H LEU 86 H LEU 86 -19.215 4.267 1.048 677 HA LEU 86 HA LEU 86 -21.910 3.629 2.070 678 1HB LEU 86 2HB LEU 86 -21.069 3.360 -0.314 679 2HB LEU 86 1HB LEU 86 -20.084 2.024 0.279 680 HG LEU 86 HG LEU 86 -22.128 0.905 1.123 681 1HD1 LEU 86 1HD1 LEU 86 -23.560 3.190 -0.267 682 2HD1 LEU 86 2HD1 LEU 86 -23.458 2.967 1.479 683 3HD1 LEU 86 3HD1 LEU 86 -24.330 1.796 0.489 684 1HD2 LEU 86 1HD2 LEU 86 -23.058 1.320 -1.590 685 2HD2 LEU 86 2HD2 LEU 86 -22.273 -0.098 -0.893 686 3HD2 LEU 86 3HD2 LEU 86 -21.298 1.214 -1.555 687 H ALA 87 H ALA 87 -18.598 2.337 2.275 688 HA ALA 87 HA ALA 87 -19.423 0.141 4.050 689 1HB ALA 87 1HB ALA 87 -16.706 1.183 3.184 690 2HB ALA 87 2HB ALA 87 -17.633 -0.063 2.349 691 3HB ALA 87 3HB ALA 87 -17.008 -0.368 3.969 692 H GLU 88 H GLU 88 -17.132 2.888 4.407 693 HA GLU 88 HA GLU 88 -16.445 2.817 7.028 694 1HB GLU 88 2HB GLU 88 -15.885 4.980 6.634 695 2HB GLU 88 1HB GLU 88 -16.496 4.670 5.017 696 1HG GLU 88 2HG GLU 88 -18.707 5.257 6.757 697 2HG GLU 88 1HG GLU 88 -17.497 6.531 6.908 698 H LYS 89 H LYS 89 -19.703 3.248 5.835 699 HA LYS 89 HA LYS 89 -20.868 4.344 8.243 700 1HB LYS 89 2HB LYS 89 -21.928 4.477 6.041 701 2HB LYS 89 1HB LYS 89 -21.972 2.717 5.928 702 1HG LYS 89 2HG LYS 89 -23.499 2.583 7.818 703 2HG LYS 89 1HG LYS 89 -23.379 4.323 8.080 704 1HD LYS 89 2HD LYS 89 -25.071 2.863 6.225 705 2HD LYS 89 1HD LYS 89 -25.140 4.563 6.692 706 1HE LYS 89 2HE LYS 89 -23.154 4.933 5.109 707 2HE LYS 89 1HE LYS 89 -23.493 3.308 4.481 708 1HZ LYS 89 1HZ LYS 89 -25.537 5.446 4.750 709 2HZ LYS 89 2HZ LYS 89 -24.721 5.097 3.301 710 H PHE 90 H PHE 90 -22.323 1.413 7.195 711 HA PHE 90 HA PHE 90 -21.590 0.104 9.790 712 1HB PHE 90 2HB PHE 90 -23.939 -0.432 7.949 713 2HB PHE 90 1HB PHE 90 -23.756 -0.952 9.625 714 HD1 PHE 90 1HD PHE 90 -26.185 0.433 9.096 715 HD2 PHE 90 2HD PHE 90 -22.279 2.086 9.773 716 HE1 PHE 90 1HE PHE 90 -27.216 2.553 9.866 717 HE2 PHE 90 2HE PHE 90 -23.309 4.206 10.543 718 HZ PHE 90 HZ PHE 90 -25.778 4.440 10.590 719 H SER 91 H SER 91 -20.678 0.039 6.637 720 HA SER 91 HA SER 91 -20.838 -2.762 5.972 721 1HB SER 91 2HB SER 91 -18.843 -0.718 4.985 722 2HB SER 91 1HB SER 91 -19.491 -2.102 4.109 723 HG SER 91 HG SER 91 -21.016 -0.815 3.481 724 H VAL 92 H VAL 92 -17.707 -1.111 6.156 725 HA VAL 92 HA VAL 92 -16.741 -3.306 7.956 726 HB VAL 92 HB VAL 92 -15.493 -1.873 5.596 727 1HG1 VAL 92 1HG1 VAL 92 -14.252 -3.428 7.838 728 2HG1 VAL 92 2HG1 VAL 92 -13.628 -2.023 6.974 729 3HG1 VAL 92 3HG1 VAL 92 -13.591 -3.614 6.214 730 1HG2 VAL 92 1HG2 VAL 92 -16.365 -3.674 4.542 731 2HG2 VAL 92 2HG2 VAL 92 -16.787 -4.446 6.070 732 3HG2 VAL 92 3HG2 VAL 92 -15.166 -4.639 5.403 733 H TYR 93 H TYR 93 -17.636 -0.245 8.152 734 HA TYR 93 HA TYR 93 -15.655 1.499 8.917 735 1HB TYR 93 2HB TYR 93 -17.780 2.326 9.254 736 2HB TYR 93 1HB TYR 93 -18.376 0.807 9.919 737 HD1 TYR 93 1HD TYR 93 -16.547 0.196 12.082 738 HD2 TYR 93 2HD TYR 93 -18.122 4.000 10.857 739 HE1 TYR 93 1HE TYR 93 -16.216 1.071 14.378 740 HE2 TYR 93 2HE TYR 93 -17.792 4.876 13.153 741 HH TYR 93 HH TYR 93 -16.066 3.041 15.589 742 H ASP 94 H ASP 94 -16.547 -1.473 10.540 743 HA ASP 94 HA ASP 94 -14.860 -0.878 12.902 744 1HB ASP 94 2HB ASP 94 -16.726 -3.071 12.002 745 2HB ASP 94 1HB ASP 94 -15.677 -3.306 13.401 746 H GLN 95 H GLN 95 -15.046 -3.542 10.506 747 HA GLN 95 HA GLN 95 -12.560 -4.749 11.076 748 1HB GLN 95 2HB GLN 95 -14.662 -4.901 9.180 749 2HB GLN 95 1HB GLN 95 -13.162 -4.803 8.258 750 1HG GLN 95 2HG GLN 95 -12.740 -6.959 8.731 751 2HG GLN 95 1HG GLN 95 -12.699 -6.562 10.449 752 1HE2 GLN 95 1HE2 GLN 95 -15.604 -5.659 10.338 753 2HE2 GLN 95 2HE2 GLN 95 -16.502 -7.100 10.303 754 H LEU 96 H LEU 96 -13.238 -2.395 8.443 755 HA LEU 96 HA LEU 96 -10.420 -2.043 7.832 756 1HB LEU 96 2HB LEU 96 -11.370 -0.195 6.403 757 2HB LEU 96 1HB LEU 96 -12.146 -1.759 6.153 758 HG LEU 96 HG LEU 96 -13.657 -0.727 8.192 759 1HD1 LEU 96 1HD1 LEU 96 -13.105 1.480 8.333 760 2HD1 LEU 96 2HD1 LEU 96 -14.104 1.633 6.888 761 3HD1 LEU 96 3HD1 LEU 96 -12.352 1.493 6.738 762 1HD2 LEU 96 1HD2 LEU 96 -14.130 -1.674 5.738 763 2HD2 LEU 96 2HD2 LEU 96 -14.391 0.036 5.394 764 3HD2 LEU 96 3HD2 LEU 96 -15.360 -0.774 6.625 765 H LYS 97 H LYS 97 -11.223 -1.479 10.671 766 HA LYS 97 HA LYS 97 -11.359 1.284 11.269 767 1HB LYS 97 2HB LYS 97 -10.503 -1.240 12.559 768 2HB LYS 97 1HB LYS 97 -9.826 0.223 13.275 769 1HG LYS 97 2HG LYS 97 -12.776 -0.253 12.756 770 2HG LYS 97 1HG LYS 97 -11.987 -0.400 14.327 771 1HD LYS 97 2HD LYS 97 -12.418 2.083 12.670 772 2HD LYS 97 1HD LYS 97 -12.868 1.790 14.350 773 1HE LYS 97 2HE LYS 97 -10.505 1.788 15.019 774 2HE LYS 97 1HE LYS 97 -10.013 2.002 13.326 775 1HZ LYS 97 1HZ LYS 97 -11.135 3.925 15.164 776 2HZ LYS 97 2HZ LYS 97 -11.885 3.914 13.640 777 HA PRO 98 HA PRO 98 -6.513 1.271 11.415 778 1HB PRO 98 2HB PRO 98 -5.853 -1.165 9.873 779 2HB PRO 98 1HB PRO 98 -5.178 -0.593 11.409 780 1HG PRO 98 2HG PRO 98 -6.836 -2.710 11.243 781 2HG PRO 98 1HG PRO 98 -6.765 -1.648 12.656 782 1HD PRO 98 2HD PRO 98 -8.823 -1.814 10.523 783 2HD PRO 98 1HD PRO 98 -8.996 -1.383 12.240 784 H LEU 99 H LEU 99 -7.599 -0.571 8.526 785 HA LEU 99 HA LEU 99 -6.157 0.760 6.538 786 1HB LEU 99 2HB LEU 99 -7.525 -1.156 6.057 787 2HB LEU 99 1HB LEU 99 -8.979 -0.339 6.631 788 HG LEU 99 HG LEU 99 -8.650 -0.459 4.083 789 1HD1 LEU 99 1HD1 LEU 99 -9.714 1.647 3.788 790 2HD1 LEU 99 2HD1 LEU 99 -8.884 2.348 5.178 791 3HD1 LEU 99 3HD1 LEU 99 -10.150 1.144 5.422 792 1HD2 LEU 99 1HD2 LEU 99 -6.972 0.760 3.075 793 2HD2 LEU 99 2HD2 LEU 99 -6.147 0.377 4.585 794 3HD2 LEU 99 3HD2 LEU 99 -6.913 1.951 4.375 795 H PHE 100 H PHE 100 -9.091 1.822 8.221 796 HA PHE 100 HA PHE 100 -9.601 4.130 6.549 797 1HB PHE 100 2HB PHE 100 -10.532 2.902 9.071 798 2HB PHE 100 1HB PHE 100 -10.716 4.655 9.005 799 HD1 PHE 100 1HD PHE 100 -10.652 3.520 5.705 800 HD2 PHE 100 2HD PHE 100 -13.227 3.639 9.141 801 HE1 PHE 100 1HE PHE 100 -12.630 3.257 4.233 802 HE2 PHE 100 2HE PHE 100 -15.205 3.376 7.668 803 HZ PHE 100 HZ PHE 100 -14.907 3.185 5.214 804 H ASP 101 H ASP 101 -7.874 3.631 9.630 805 HA ASP 101 HA ASP 101 -7.135 6.465 9.849 806 1HB ASP 101 2HB ASP 101 -6.009 4.085 11.345 807 2HB ASP 101 1HB ASP 101 -6.156 5.749 11.912 808 H PHE 102 H PHE 102 -5.538 3.404 8.991 809 HA PHE 102 HA PHE 102 -3.031 3.382 8.656 810 1HB PHE 102 2HB PHE 102 -3.137 3.019 6.267 811 2HB PHE 102 1HB PHE 102 -4.674 2.489 6.952 812 HD1 PHE 102 1HD PHE 102 -3.397 4.119 4.234 813 HD2 PHE 102 2HD PHE 102 -6.309 4.734 7.331 814 HE1 PHE 102 1HE PHE 102 -4.602 5.728 2.781 815 HE2 PHE 102 2HE PHE 102 -7.514 6.343 5.877 816 HZ PHE 102 HZ PHE 102 -6.661 6.839 3.602 817 H THR 103 H THR 103 -1.209 4.570 7.913 818 HA THR 103 HA THR 103 -1.415 7.467 8.156 819 HB THR 103 HB THR 103 1.064 7.249 7.639 820 HG1 THR 103 1HG THR 103 1.845 5.150 7.446 821 1HG2 THR 103 1HG2 THR 103 1.061 5.309 9.670 822 2HG2 THR 103 2HG2 THR 103 -0.453 6.192 9.870 823 3HG2 THR 103 3HG2 THR 103 1.082 7.060 9.880 824 H GLN 104 H GLN 104 -2.639 8.260 6.400 825 HA GLN 104 HA GLN 104 -1.929 7.501 3.634 826 1HB GLN 104 2HB GLN 104 -4.265 7.795 4.329 827 2HB GLN 104 1HB GLN 104 -3.921 9.448 4.841 828 1HG GLN 104 2HG GLN 104 -4.955 8.988 2.453 829 2HG GLN 104 1HG GLN 104 -3.717 10.227 2.659 830 1HE2 GLN 104 1HE2 GLN 104 -2.383 10.078 0.840 831 2HE2 GLN 104 2HE2 GLN 104 -1.730 8.633 0.235 832 H THR 105 H THR 105 -0.772 8.821 2.228 833 HA THR 105 HA THR 105 1.012 10.803 3.228 834 HB THR 105 HB THR 105 1.127 9.392 1.112 835 HG1 THR 105 1HG THR 105 1.708 12.082 1.380 836 1HG2 THR 105 1HG2 THR 105 -0.749 9.573 -0.157 837 2HG2 THR 105 2HG2 THR 105 0.037 11.017 -0.798 838 3HG2 THR 105 3HG2 THR 105 -1.151 11.162 0.498 839 H ASP 106 H ASP 106 0.383 12.773 4.030 840 HA ASP 106 HA ASP 106 -2.154 14.019 3.362 841 1HB ASP 106 2HB ASP 106 0.302 14.643 4.971 842 2HB ASP 106 1HB ASP 106 -0.857 15.935 4.655 843 H GLY 107 H GLY 107 -0.005 13.542 1.190 844 1HA GLY 107 2HA GLY 107 0.147 14.761 -0.885 845 2HA GLY 107 1HA GLY 107 -0.258 16.241 -0.013 846 H SER 108 H SER 108 1.831 15.107 2.063 847 HA SER 108 HA SER 108 4.005 16.801 1.289 848 1HB SER 108 2HB SER 108 3.167 15.573 3.545 849 2HB SER 108 1HB SER 108 4.465 14.473 3.089 850 HG SER 108 HG SER 108 4.550 17.184 3.795 851 H ALA 109 H ALA 109 6.299 15.922 0.966 852 HA ALA 109 HA ALA 109 6.854 14.692 -1.360 853 1HB ALA 109 1HB ALA 109 8.076 14.342 1.373 854 2HB ALA 109 2HB ALA 109 8.670 15.298 0.014 855 3HB ALA 109 3HB ALA 109 8.786 13.538 -0.026 856 H SER 110 H SER 110 7.119 12.499 -2.142 857 HA SER 110 HA SER 110 5.073 10.645 -1.223 858 1HB SER 110 2HB SER 110 6.107 11.127 -3.582 859 2HB SER 110 1HB SER 110 7.354 9.989 -3.079 860 HG SER 110 HG SER 110 5.511 9.050 -4.189 861 HA PRO 111 HA PRO 111 8.118 9.137 1.816 862 1HB PRO 111 2HB PRO 111 6.184 7.928 3.378 863 2HB PRO 111 1HB PRO 111 6.691 9.618 3.555 864 1HG PRO 111 2HG PRO 111 4.285 8.492 2.235 865 2HG PRO 111 1HG PRO 111 4.479 10.000 3.140 866 1HD PRO 111 2HD PRO 111 4.347 9.879 0.419 867 2HD PRO 111 1HD PRO 111 5.202 11.159 1.309 868 HA PRO 112 HA PRO 112 8.433 5.069 0.191 869 1HB PRO 112 2HB PRO 112 9.554 3.787 2.382 870 2HB PRO 112 1HB PRO 112 10.463 4.774 1.223 871 1HG PRO 112 2HG PRO 112 9.487 5.461 3.938 872 2HG PRO 112 1HG PRO 112 10.957 5.978 3.097 873 1HD PRO 112 2HD PRO 112 8.770 7.568 3.407 874 2HD PRO 112 1HD PRO 112 9.901 7.713 2.044 875 HA PRO 113 HA PRO 113 4.630 3.229 1.510 876 1HB PRO 113 2HB PRO 113 5.748 0.773 0.268 877 2HB PRO 113 1HB PRO 113 4.244 1.638 -0.103 878 1HG PRO 113 2HG PRO 113 6.393 1.718 -1.716 879 2HG PRO 113 1HG PRO 113 5.265 3.071 -1.553 880 1HD PRO 113 2HD PRO 113 8.015 2.774 -0.491 881 2HD PRO 113 1HD PRO 113 7.131 4.241 -0.967 882 H ALA 114 H ALA 114 5.522 0.098 1.598 883 HA ALA 114 HA ALA 114 5.350 -0.341 4.341 884 1HB ALA 114 1HB ALA 114 6.295 -1.714 1.950 885 2HB ALA 114 2HB ALA 114 5.440 -2.373 3.345 886 3HB ALA 114 3HB ALA 114 7.197 -2.217 3.380 887 HA PRO 115 HA PRO 115 8.997 0.877 6.431 888 1HB PRO 115 2HB PRO 115 9.718 -1.934 7.057 889 2HB PRO 115 1HB PRO 115 9.368 -0.590 8.160 890 1HG PRO 115 2HG PRO 115 7.650 -2.617 7.768 891 2HG PRO 115 1HG PRO 115 7.120 -0.968 8.128 892 1HD PRO 115 2HD PRO 115 7.044 -2.454 5.563 893 2HD PRO 115 1HD PRO 115 5.964 -1.180 6.171 894 H LYS 116 H LYS 116 10.788 1.536 5.305 895 HA LYS 116 HA LYS 116 12.003 -0.232 3.271 896 1HB LYS 116 2HB LYS 116 11.887 1.909 2.439 897 2HB LYS 116 1HB LYS 116 11.986 2.642 4.040 898 1HG LYS 116 2HG LYS 116 14.364 2.273 4.146 899 2HG LYS 116 1HG LYS 116 14.330 1.288 2.684 900 1HD LYS 116 2HD LYS 116 13.208 4.021 2.422 901 2HD LYS 116 1HD LYS 116 14.951 3.926 2.674 902 1HE LYS 116 2HE LYS 116 13.826 2.018 0.685 903 2HE LYS 116 1HE LYS 116 13.846 3.730 0.215 904 1HZ LYS 116 1HZ LYS 116 16.164 3.856 0.891 905 2HZ LYS 116 2HZ LYS 116 16.152 2.213 1.319 906 H HIS 117 H HIS 117 14.047 -1.161 3.483 907 HA HIS 117 HA HIS 117 15.243 -1.173 6.186 908 1HB HIS 117 2HB HIS 117 15.574 -2.693 3.601 909 2HB HIS 117 1HB HIS 117 16.743 -2.881 4.907 910 HD1 HIS 117 1HD HIS 117 16.179 -4.913 6.226 911 HD2 HIS 117 2HD HIS 117 12.745 -2.885 5.013 912 HE1 HIS 117 1HE HIS 117 14.216 -6.179 7.204 913 H HIS 118 H HIS 118 17.438 -0.537 6.578 914 HA HIS 118 HA HIS 118 18.404 1.821 5.429 915 1HB HIS 118 2HB HIS 118 19.897 -0.524 6.649 916 2HB HIS 118 1HB HIS 118 20.574 1.092 6.444 917 HD1 HIS 118 1HD HIS 118 19.881 -0.434 9.228 918 HD2 HIS 118 2HD HIS 118 17.716 2.656 7.457 919 HE1 HIS 118 1HE HIS 118 18.558 0.670 11.085 920 H HIS 119 H HIS 119 19.124 2.238 3.381 921 HA HIS 119 HA HIS 119 20.045 -0.035 1.684 922 1HB HIS 119 2HB HIS 119 18.185 1.609 1.063 923 2HB HIS 119 1HB HIS 119 19.447 2.831 0.909 924 HD1 HIS 119 1HD HIS 119 19.799 -0.795 -0.130 925 HD2 HIS 119 2HD HIS 119 19.531 2.975 -1.890 926 HE1 HIS 119 1HE HIS 119 20.285 -1.118 -2.595 927 H ALA 120 H ALA 120 22.242 -0.273 2.289 928 HA ALA 120 HA ALA 120 24.147 1.622 2.977 929 1HB ALA 120 1HB ALA 120 24.514 -0.801 2.891 930 2HB ALA 120 2HB ALA 120 25.756 0.015 1.941 931 3HB ALA 120 3HB ALA 120 24.402 -0.776 1.133 932 H SER 121 H SER 121 25.956 2.509 1.534 933 HA SER 121 HA SER 121 24.772 3.599 -0.991 934 1HB SER 121 2HB SER 121 25.452 5.042 1.056 935 2HB SER 121 1HB SER 121 27.111 4.699 0.575 936 HG SER 121 HG SER 121 26.527 6.549 -0.473 937 H LYS 122 H LYS 122 26.064 3.527 -2.895 938 HA LYS 122 HA LYS 122 28.101 1.414 -2.951 939 1HB LYS 122 2HB LYS 122 26.855 1.332 -4.877 940 2HB LYS 122 1HB LYS 122 26.489 3.057 -4.827 941 1HG LYS 122 2HG LYS 122 28.608 3.638 -5.751 942 2HG LYS 122 1HG LYS 122 29.249 2.016 -5.486 943 1HD LYS 122 2HD LYS 122 26.810 2.040 -7.117 944 2HD LYS 122 1HD LYS 122 28.149 2.921 -7.855 945 1HE LYS 122 2HE LYS 122 29.355 1.015 -8.218 946 2HE LYS 122 1HE LYS 122 28.899 0.321 -6.648 947 1HZ LYS 122 1HZ LYS 122 27.115 0.562 -9.016 948 2HZ LYS 122 2HZ LYS 122 27.835 -0.876 -8.470 949 H VAL 123 H VAL 123 30.281 1.802 -3.828 950 HA VAL 123 HA VAL 123 31.634 4.036 -2.638 951 HB VAL 123 HB VAL 123 32.339 1.613 -3.528 952 1HG1 VAL 123 1HG1 VAL 123 33.827 2.112 -5.601 953 2HG1 VAL 123 2HG1 VAL 123 32.774 3.509 -5.831 954 3HG1 VAL 123 3HG1 VAL 123 32.097 1.881 -5.856 955 1HG2 VAL 123 1HG2 VAL 123 33.718 4.020 -2.739 956 2HG2 VAL 123 2HG2 VAL 123 34.681 3.160 -3.939 957 3HG2 VAL 123 3HG2 VAL 123 34.184 2.342 -2.456 958 H ASP 124 H ASP 124 31.633 6.118 -3.382 959 HA ASP 124 HA ASP 124 30.766 6.711 -6.142 960 1HB ASP 124 2HB ASP 124 31.303 8.207 -3.590 961 2HB ASP 124 1HB ASP 124 31.201 9.101 -5.108 Start of MODEL 3 1 H SER 2 H SER 2 0.853 -6.100 8.357 2 HA SER 2 HA SER 2 -1.260 -6.538 7.096 3 1HB SER 2 2HB SER 2 -2.180 -7.377 9.742 4 2HB SER 2 1HB SER 2 -1.672 -8.363 8.375 5 HG SER 2 HG SER 2 0.521 -7.336 9.150 6 H ASN 3 H ASN 3 -1.701 -4.790 10.180 7 HA ASN 3 HA ASN 3 -4.495 -4.149 9.637 8 1HB ASN 3 2HB ASN 3 -4.319 -3.848 11.867 9 2HB ASN 3 1HB ASN 3 -2.564 -3.996 11.763 10 1HD2 ASN 3 1HD2 ASN 3 -3.324 -2.193 13.629 11 2HD2 ASN 3 2HD2 ASN 3 -3.159 -0.596 13.077 12 H GLN 4 H GLN 4 -1.382 -2.629 9.015 13 HA GLN 4 HA GLN 4 -2.392 0.039 8.523 14 1HB GLN 4 2HB GLN 4 0.112 -1.390 7.574 15 2HB GLN 4 1HB GLN 4 -0.125 0.358 7.617 16 1HG GLN 4 2HG GLN 4 -0.333 0.321 10.039 17 2HG GLN 4 1HG GLN 4 -0.264 -1.442 10.053 18 1HE2 GLN 4 1HE2 GLN 4 1.728 -1.558 11.276 19 2HE2 GLN 4 2HE2 GLN 4 3.212 -1.052 10.628 20 H ILE 5 H ILE 5 -1.650 0.880 6.119 21 HA ILE 5 HA ILE 5 -3.184 -0.832 4.192 22 HB ILE 5 HB ILE 5 -3.599 1.752 5.094 23 1HG1 ILE 5 2HG1 ILE 5 -5.277 1.860 3.355 24 2HG1 ILE 5 1HG1 ILE 5 -4.400 0.689 2.370 25 1HG2 ILE 5 1HG2 ILE 5 -2.009 1.771 2.530 26 2HG2 ILE 5 2HG2 ILE 5 -1.795 2.776 3.963 27 3HG2 ILE 5 3HG2 ILE 5 -3.169 3.050 2.893 28 1HD1 ILE 5 1HD1 ILE 5 -5.892 -0.760 3.349 29 2HD1 ILE 5 2HD1 ILE 5 -6.089 0.248 4.783 30 3HD1 ILE 5 3HD1 ILE 5 -4.659 -0.772 4.612 31 H TYR 6 H TYR 6 -1.357 -1.995 3.361 32 HA TYR 6 HA TYR 6 1.145 -0.824 2.616 33 1HB TYR 6 2HB TYR 6 -0.390 -3.263 1.668 34 2HB TYR 6 1HB TYR 6 1.294 -2.947 1.249 35 HD1 TYR 6 1HD TYR 6 1.543 -1.477 4.146 36 HD2 TYR 6 2HD TYR 6 0.479 -5.398 2.750 37 HE1 TYR 6 1HE TYR 6 2.264 -2.445 6.312 38 HE2 TYR 6 2HE TYR 6 1.201 -6.365 4.917 39 HH TYR 6 HH TYR 6 1.590 -5.733 7.171 40 H SER 7 H SER 7 1.907 -0.565 0.319 41 HA SER 7 HA SER 7 -0.287 0.519 -1.420 42 1HB SER 7 2HB SER 7 1.156 2.253 -0.541 43 2HB SER 7 1HB SER 7 2.598 1.346 -0.986 44 HG SER 7 HG SER 7 0.942 2.925 -2.512 45 H ALA 8 H ALA 8 -0.132 0.079 -3.675 46 HA ALA 8 HA ALA 8 2.075 -1.647 -4.649 47 1HB ALA 8 1HB ALA 8 0.548 -3.420 -5.288 48 2HB ALA 8 2HB ALA 8 -0.846 -2.451 -4.808 49 3HB ALA 8 3HB ALA 8 0.266 -3.063 -3.583 50 H ARG 9 H ARG 9 1.998 -1.828 -7.048 51 HA ARG 9 HA ARG 9 0.113 0.028 -8.414 52 1HB ARG 9 2HB ARG 9 1.723 1.566 -8.904 53 2HB ARG 9 1HB ARG 9 2.600 0.839 -7.557 54 1HG ARG 9 2HG ARG 9 4.143 -0.086 -8.926 55 2HG ARG 9 1HG ARG 9 2.910 -0.672 -10.044 56 1HD ARG 9 2HD ARG 9 4.084 0.915 -11.347 57 2HD ARG 9 1HD ARG 9 2.715 1.864 -10.733 58 HE ARG 9 HE ARG 9 5.288 1.806 -9.214 59 1HH1 ARG 9 1HH1 ARG 9 2.747 3.420 -10.894 60 1HH2 ARG 9 1HH2 ARG 9 5.954 3.862 -8.559 61 2HH2 ARG 9 2HH2 ARG 9 5.062 5.254 -9.077 62 H TYR 10 H TYR 10 -0.648 -1.094 -10.156 63 HA TYR 10 HA TYR 10 1.252 -2.745 -11.752 64 1HB TYR 10 2HB TYR 10 -1.140 -3.613 -10.176 65 2HB TYR 10 1HB TYR 10 -0.823 -4.423 -11.710 66 HD1 TYR 10 1HD TYR 10 0.433 -6.368 -11.562 67 HD2 TYR 10 2HD TYR 10 1.192 -3.176 -8.789 68 HE1 TYR 10 1HE TYR 10 2.206 -7.726 -10.484 69 HE2 TYR 10 2HE TYR 10 2.966 -4.535 -7.712 70 HH TYR 10 HH TYR 10 3.982 -6.508 -7.643 71 H SER 11 H SER 11 0.055 -3.524 -13.814 72 HA SER 11 HA SER 11 -1.102 -2.951 -15.789 73 1HB SER 11 2HB SER 11 -3.251 -3.133 -15.125 74 2HB SER 11 1HB SER 11 -2.805 -2.656 -13.490 75 HG SER 11 HG SER 11 -2.974 -0.711 -15.507 76 H GLY 12 H GLY 12 0.984 -1.107 -14.888 77 1HA GLY 12 2HA GLY 12 1.795 0.975 -15.623 78 2HA GLY 12 1HA GLY 12 0.311 1.159 -16.556 79 H VAL 13 H VAL 13 -0.926 0.515 -13.673 80 HA VAL 13 HA VAL 13 -0.790 3.366 -12.739 81 HB VAL 13 HB VAL 13 -3.245 2.384 -11.952 82 1HG1 VAL 13 1HG1 VAL 13 -3.759 3.481 -14.437 83 2HG1 VAL 13 2HG1 VAL 13 -2.173 4.146 -14.042 84 3HG1 VAL 13 3HG1 VAL 13 -3.533 4.399 -12.948 85 1HG2 VAL 13 1HG2 VAL 13 -3.401 0.393 -13.104 86 2HG2 VAL 13 2HG2 VAL 13 -2.271 0.909 -14.356 87 3HG2 VAL 13 3HG2 VAL 13 -3.940 1.478 -14.386 88 H ASP 14 H ASP 14 -0.284 3.589 -10.565 89 HA ASP 14 HA ASP 14 0.349 1.199 -9.014 90 1HB ASP 14 2HB ASP 14 1.806 3.041 -8.776 91 2HB ASP 14 1HB ASP 14 0.472 4.188 -8.641 92 H VAL 15 H VAL 15 -0.612 0.694 -6.943 93 HA VAL 15 HA VAL 15 -3.219 1.976 -6.296 94 HB VAL 15 HB VAL 15 -4.037 -0.520 -6.103 95 1HG1 VAL 15 1HG1 VAL 15 -5.245 0.017 -7.936 96 2HG1 VAL 15 2HG1 VAL 15 -3.809 0.040 -8.960 97 3HG1 VAL 15 3HG1 VAL 15 -4.260 1.475 -8.039 98 1HG2 VAL 15 1HG2 VAL 15 -1.425 -0.952 -6.942 99 2HG2 VAL 15 2HG2 VAL 15 -2.358 -1.132 -8.428 100 3HG2 VAL 15 3HG2 VAL 15 -2.735 -2.131 -7.025 101 H TYR 16 H TYR 16 -4.074 0.729 -4.184 102 HA TYR 16 HA TYR 16 -1.703 0.348 -2.385 103 1HB TYR 16 2HB TYR 16 -2.838 1.613 -0.799 104 2HB TYR 16 1HB TYR 16 -3.475 2.342 -2.273 105 HD1 TYR 16 1HD TYR 16 -4.232 -0.964 -0.687 106 HD2 TYR 16 2HD TYR 16 -5.708 2.908 -1.817 107 HE1 TYR 16 1HE TYR 16 -6.527 -1.651 -0.041 108 HE2 TYR 16 2HE TYR 16 -8.003 2.223 -1.170 109 HH TYR 16 HH TYR 16 -9.077 0.571 0.311 110 H GLU 17 H GLU 17 -1.648 -1.581 -1.242 111 HA GLU 17 HA GLU 17 -4.069 -3.346 -1.432 112 1HB GLU 17 2HB GLU 17 -1.757 -4.899 -1.006 113 2HB GLU 17 1HB GLU 17 -2.644 -4.722 -2.521 114 1HG GLU 17 2HG GLU 17 -1.195 -3.101 -3.344 115 2HG GLU 17 1HG GLU 17 -0.689 -2.589 -1.733 116 H PHE 18 H PHE 18 -4.990 -3.205 0.608 117 HA PHE 18 HA PHE 18 -3.164 -3.503 2.972 118 1HB PHE 18 2HB PHE 18 -5.980 -2.444 3.069 119 2HB PHE 18 1HB PHE 18 -4.623 -2.077 4.135 120 HD1 PHE 18 1HD PHE 18 -2.456 -1.245 2.532 121 HD2 PHE 18 2HD PHE 18 -6.645 -0.593 1.836 122 HE1 PHE 18 1HE PHE 18 -1.918 0.754 1.165 123 HE2 PHE 18 2HE PHE 18 -6.107 1.404 0.467 124 HZ PHE 18 HZ PHE 18 -3.743 2.077 0.131 125 H ILE 19 H ILE 19 -3.775 -5.071 4.550 126 HA ILE 19 HA ILE 19 -5.444 -7.267 3.562 127 HB ILE 19 HB ILE 19 -3.308 -6.852 5.363 128 1HG1 ILE 19 2HG1 ILE 19 -3.408 -9.351 5.534 129 2HG1 ILE 19 1HG1 ILE 19 -4.976 -9.307 4.726 130 1HG2 ILE 19 1HG2 ILE 19 -4.022 -7.565 7.474 131 2HG2 ILE 19 2HG2 ILE 19 -5.508 -8.274 6.840 132 3HG2 ILE 19 3HG2 ILE 19 -5.353 -6.522 6.974 133 1HD1 ILE 19 1HD1 ILE 19 -2.492 -9.442 3.468 134 2HD1 ILE 19 2HD1 ILE 19 -2.965 -7.752 3.293 135 3HD1 ILE 19 3HD1 ILE 19 -4.025 -9.030 2.697 136 H HIS 20 H HIS 20 -7.558 -7.688 4.187 137 HA HIS 20 HA HIS 20 -8.686 -6.297 6.554 138 1HB HIS 20 2HB HIS 20 -8.961 -5.444 3.818 139 2HB HIS 20 1HB HIS 20 -10.538 -5.954 4.424 140 HD1 HIS 20 1HD HIS 20 -8.018 -3.263 4.703 141 HD2 HIS 20 2HD HIS 20 -11.381 -4.515 6.826 142 HE1 HIS 20 1HE HIS 20 -8.638 -1.358 6.252 143 H SER 21 H SER 21 -11.401 -6.900 5.314 144 HA SER 21 HA SER 21 -11.798 -9.512 6.466 145 1HB SER 21 2HB SER 21 -13.485 -7.896 4.526 146 2HB SER 21 1HB SER 21 -14.066 -9.210 5.545 147 HG SER 21 HG SER 21 -14.478 -7.342 6.640 148 H THR 22 H THR 22 -11.167 -8.352 3.195 149 HA THR 22 HA THR 22 -11.546 -11.073 2.057 150 HB THR 22 HB THR 22 -12.477 -9.378 0.707 151 HG1 THR 22 1HG THR 22 -10.264 -9.017 -0.705 152 1HG2 THR 22 1HG2 THR 22 -9.967 -7.743 1.168 153 2HG2 THR 22 2HG2 THR 22 -11.490 -7.512 2.028 154 3HG2 THR 22 3HG2 THR 22 -11.405 -7.225 0.290 155 H GLY 23 H GLY 23 -9.231 -9.944 3.875 156 1HA GLY 23 2HA GLY 23 -7.017 -10.878 4.035 157 2HA GLY 23 1HA GLY 23 -7.077 -11.246 2.309 158 H SER 24 H SER 24 -6.201 -9.768 0.887 159 HA SER 24 HA SER 24 -5.034 -7.295 2.075 160 1HB SER 24 2HB SER 24 -3.487 -8.745 0.935 161 2HB SER 24 1HB SER 24 -4.567 -8.912 -0.445 162 HG SER 24 HG SER 24 -4.294 -6.434 -0.400 163 H ILE 25 H ILE 25 -5.593 -5.251 1.264 164 HA ILE 25 HA ILE 25 -7.886 -5.195 -0.668 165 HB ILE 25 HB ILE 25 -7.025 -3.465 1.659 166 1HG1 ILE 25 2HG1 ILE 25 -9.449 -5.141 0.973 167 2HG1 ILE 25 1HG1 ILE 25 -8.358 -5.322 2.348 168 1HG2 ILE 25 1HG2 ILE 25 -8.080 -2.462 -0.701 169 2HG2 ILE 25 2HG2 ILE 25 -8.188 -1.685 0.879 170 3HG2 ILE 25 3HG2 ILE 25 -9.510 -2.701 0.305 171 1HD1 ILE 25 1HD1 ILE 25 -9.160 -3.295 3.357 172 2HD1 ILE 25 2HD1 ILE 25 -10.583 -4.226 2.888 173 3HD1 ILE 25 3HD1 ILE 25 -10.060 -2.858 1.905 174 H MET 26 H MET 26 -7.377 -4.356 -2.647 175 HA MET 26 HA MET 26 -4.888 -2.739 -2.929 176 1HB MET 26 2HB MET 26 -6.492 -4.632 -4.538 177 2HB MET 26 1HB MET 26 -5.831 -3.272 -5.446 178 1HG MET 26 2HG MET 26 -3.595 -3.809 -4.826 179 2HG MET 26 1HG MET 26 -4.134 -4.920 -3.566 180 1HE MET 26 1HE MET 26 -2.755 -4.254 -6.494 181 2HE MET 26 2HE MET 26 -3.702 -4.900 -7.833 182 3HE MET 26 3HE MET 26 -2.389 -5.855 -7.150 183 H LYS 27 H LYS 27 -5.077 -0.935 -4.628 184 HA LYS 27 HA LYS 27 -7.763 0.316 -4.802 185 1HB LYS 27 2HB LYS 27 -7.105 1.240 -2.750 186 2HB LYS 27 1HB LYS 27 -5.403 1.291 -3.210 187 1HG LYS 27 2HG LYS 27 -6.617 2.903 -5.113 188 2HG LYS 27 1HG LYS 27 -7.503 3.286 -3.636 189 1HD LYS 27 2HD LYS 27 -4.589 3.072 -3.264 190 2HD LYS 27 1HD LYS 27 -5.085 4.390 -4.327 191 1HE LYS 27 2HE LYS 27 -5.961 5.584 -2.598 192 2HE LYS 27 1HE LYS 27 -6.754 4.152 -1.910 193 1HZ LYS 27 1HZ LYS 27 -4.246 5.305 -1.219 194 2HZ LYS 27 2HZ LYS 27 -4.050 3.686 -1.692 195 H ARG 28 H ARG 28 -7.882 1.847 -6.521 196 HA ARG 28 HA ARG 28 -5.736 1.628 -8.533 197 1HB ARG 28 2HB ARG 28 -8.436 1.677 -8.639 198 2HB ARG 28 1HB ARG 28 -8.109 3.394 -8.885 199 1HG ARG 28 2HG ARG 28 -7.049 3.048 -10.903 200 2HG ARG 28 1HG ARG 28 -6.473 1.445 -10.445 201 1HD ARG 28 2HD ARG 28 -8.156 0.703 -11.812 202 2HD ARG 28 1HD ARG 28 -9.210 1.087 -10.436 203 HE ARG 28 HE ARG 28 -9.683 3.254 -11.464 204 1HH1 ARG 28 1HH1 ARG 28 -7.739 1.070 -13.290 205 1HH2 ARG 28 1HH2 ARG 28 -10.028 4.339 -13.417 206 2HH2 ARG 28 2HH2 ARG 28 -9.289 3.742 -14.865 207 H LYS 29 H LYS 29 -4.238 3.229 -8.918 208 HA LYS 29 HA LYS 29 -3.938 5.462 -7.126 209 1HB LYS 29 2HB LYS 29 -1.978 4.632 -8.100 210 2HB LYS 29 1HB LYS 29 -2.714 4.498 -9.697 211 1HG LYS 29 2HG LYS 29 -2.432 6.747 -10.171 212 2HG LYS 29 1HG LYS 29 -2.484 7.218 -8.472 213 1HD LYS 29 2HD LYS 29 -0.257 6.162 -8.136 214 2HD LYS 29 1HD LYS 29 -0.200 5.783 -9.858 215 1HE LYS 29 2HE LYS 29 0.513 7.877 -10.342 216 2HE LYS 29 1HE LYS 29 -0.853 8.587 -9.459 217 1HZ LYS 29 1HZ LYS 29 1.690 7.579 -8.302 218 2HZ LYS 29 2HZ LYS 29 0.341 8.036 -7.376 219 H LYS 30 H LYS 30 -5.260 5.153 -10.415 220 HA LYS 30 HA LYS 30 -5.547 7.934 -10.996 221 1HB LYS 30 2HB LYS 30 -7.324 5.625 -11.838 222 2HB LYS 30 1HB LYS 30 -7.037 7.121 -12.728 223 1HG LYS 30 2HG LYS 30 -4.644 5.504 -11.993 224 2HG LYS 30 1HG LYS 30 -5.684 4.863 -13.265 225 1HD LYS 30 2HD LYS 30 -4.113 6.222 -14.410 226 2HD LYS 30 1HD LYS 30 -5.568 7.215 -14.307 227 1HE LYS 30 2HE LYS 30 -4.231 8.803 -13.370 228 2HE LYS 30 1HE LYS 30 -4.210 7.773 -11.925 229 1HZ LYS 30 1HZ LYS 30 -1.990 7.818 -12.416 230 2HZ LYS 30 2HZ LYS 30 -2.453 6.469 -13.340 231 H ASP 31 H ASP 31 -8.016 5.623 -9.788 232 HA ASP 31 HA ASP 31 -9.515 7.976 -8.682 233 1HB ASP 31 2HB ASP 31 -10.215 5.578 -10.232 234 2HB ASP 31 1HB ASP 31 -11.267 5.841 -8.841 235 H ASP 32 H ASP 32 -7.484 5.594 -7.700 236 HA ASP 32 HA ASP 32 -7.259 4.307 -5.712 237 1HB ASP 32 2HB ASP 32 -8.627 6.631 -4.395 238 2HB ASP 32 1HB ASP 32 -7.135 5.811 -3.935 239 H TRP 33 H TRP 33 -9.262 3.018 -6.733 240 HA TRP 33 HA TRP 33 -11.769 3.353 -5.205 241 1HB TRP 33 2HB TRP 33 -11.096 1.084 -7.065 242 2HB TRP 33 1HB TRP 33 -12.645 1.892 -6.822 243 HD1 TRP 33 HD TRP 33 -9.114 2.838 -8.106 244 HE1 TRP 33 1HE TRP 33 -9.395 4.487 -10.068 245 HE3 TRP 33 3HE TRP 33 -14.199 3.296 -8.152 246 HZ2 TRP 33 2HZ TRP 33 -11.498 5.823 -11.472 247 HZ3 TRP 33 3HZ TRP 33 -15.315 4.762 -9.810 248 HH2 TRP 33 HH TRP 33 -13.972 6.025 -11.468 249 H VAL 34 H VAL 34 -12.662 1.519 -3.954 250 HA VAL 34 HA VAL 34 -10.498 -0.129 -2.690 251 HB VAL 34 HB VAL 34 -13.208 0.549 -1.537 252 1HG1 VAL 34 1HG1 VAL 34 -11.361 -1.157 -0.626 253 2HG1 VAL 34 2HG1 VAL 34 -12.312 -0.155 0.469 254 3HG1 VAL 34 3HG1 VAL 34 -10.675 0.329 0.028 255 1HG2 VAL 34 1HG2 VAL 34 -10.897 2.200 -0.717 256 2HG2 VAL 34 2HG2 VAL 34 -12.573 2.672 -0.999 257 3HG2 VAL 34 3HG2 VAL 34 -11.466 2.496 -2.360 258 H ASN 35 H ASN 35 -10.892 -2.367 -2.411 259 HA ASN 35 HA ASN 35 -12.571 -3.684 -4.327 260 1HB ASN 35 2HB ASN 35 -11.986 -5.466 -2.236 261 2HB ASN 35 1HB ASN 35 -11.016 -5.199 -3.684 262 1HD2 ASN 35 1HD2 ASN 35 -10.070 -5.756 -0.879 263 2HD2 ASN 35 2HD2 ASN 35 -9.067 -4.448 -0.476 264 H ALA 36 H ALA 36 -14.778 -3.136 -4.104 265 HA ALA 36 HA ALA 36 -16.378 -2.648 -1.945 266 1HB ALA 36 1HB ALA 36 -18.175 -3.701 -3.248 267 2HB ALA 36 2HB ALA 36 -16.987 -4.617 -4.175 268 3HB ALA 36 3HB ALA 36 -17.065 -2.862 -4.332 269 H THR 37 H THR 37 -14.892 -5.759 -2.705 270 HA THR 37 HA THR 37 -16.450 -7.455 -1.032 271 HB THR 37 HB THR 37 -13.461 -7.600 -1.521 272 HG1 THR 37 1HG THR 37 -13.875 -8.146 -3.528 273 1HG2 THR 37 1HG2 THR 37 -15.625 -9.685 -1.131 274 2HG2 THR 37 2HG2 THR 37 -14.330 -9.293 0.001 275 3HG2 THR 37 3HG2 THR 37 -13.951 -10.047 -1.549 276 H HIS 38 H HIS 38 -13.523 -5.539 -0.297 277 HA HIS 38 HA HIS 38 -13.335 -6.316 2.470 278 1HB HIS 38 2HB HIS 38 -11.409 -5.210 2.011 279 2HB HIS 38 1HB HIS 38 -12.119 -4.485 0.568 280 HD1 HIS 38 1HD HIS 38 -13.984 -2.466 1.307 281 HD2 HIS 38 2HD HIS 38 -10.785 -3.268 3.858 282 HE1 HIS 38 1HE HIS 38 -13.721 -0.428 2.789 283 H ILE 39 H ILE 39 -15.224 -3.947 0.718 284 HA ILE 39 HA ILE 39 -16.171 -2.603 3.177 285 HB ILE 39 HB ILE 39 -16.300 -2.262 0.214 286 1HG1 ILE 39 2HG1 ILE 39 -16.230 0.196 1.554 287 2HG1 ILE 39 1HG1 ILE 39 -15.278 -0.889 2.568 288 1HG2 ILE 39 1HG2 ILE 39 -18.131 -0.637 0.391 289 2HG2 ILE 39 2HG2 ILE 39 -18.309 -1.007 2.107 290 3HG2 ILE 39 3HG2 ILE 39 -18.681 -2.234 0.896 291 1HD1 ILE 39 1HD1 ILE 39 -13.581 -0.859 1.091 292 2HD1 ILE 39 2HD1 ILE 39 -14.465 0.351 0.162 293 3HD1 ILE 39 3HD1 ILE 39 -14.660 -1.361 -0.210 294 H LEU 40 H LEU 40 -17.642 -4.347 0.412 295 HA LEU 40 HA LEU 40 -20.127 -4.786 1.960 296 1HB LEU 40 2HB LEU 40 -19.342 -4.477 -0.750 297 2HB LEU 40 1HB LEU 40 -19.993 -6.110 -0.600 298 HG LEU 40 HG LEU 40 -21.830 -4.742 0.849 299 1HD1 LEU 40 1HD1 LEU 40 -22.352 -2.651 -0.362 300 2HD1 LEU 40 2HD1 LEU 40 -20.906 -2.865 -1.350 301 3HD1 LEU 40 3HD1 LEU 40 -20.755 -2.571 0.383 302 1HD2 LEU 40 1HD2 LEU 40 -21.591 -5.670 -1.948 303 2HD2 LEU 40 2HD2 LEU 40 -22.882 -4.501 -1.668 304 3HD2 LEU 40 3HD2 LEU 40 -22.845 -6.008 -0.754 305 H LYS 41 H LYS 41 -17.660 -6.784 0.288 306 HA LYS 41 HA LYS 41 -18.680 -9.314 1.204 307 1HB LYS 41 2HB LYS 41 -17.069 -8.734 -0.714 308 2HB LYS 41 1HB LYS 41 -15.813 -8.625 0.519 309 1HG LYS 41 2HG LYS 41 -17.190 -11.028 1.047 310 2HG LYS 41 1HG LYS 41 -16.951 -10.986 -0.701 311 1HD LYS 41 2HD LYS 41 -14.658 -11.061 -0.530 312 2HD LYS 41 1HD LYS 41 -14.638 -10.193 1.005 313 1HE LYS 41 2HE LYS 41 -14.708 -12.124 2.207 314 2HE LYS 41 1HE LYS 41 -15.977 -12.811 1.173 315 1HZ LYS 41 1HZ LYS 41 -13.714 -12.554 -0.404 316 2HZ LYS 41 2HZ LYS 41 -13.183 -13.246 1.053 317 H ALA 42 H ALA 42 -16.639 -6.884 2.657 318 HA ALA 42 HA ALA 42 -15.425 -8.549 4.691 319 1HB ALA 42 1HB ALA 42 -15.412 -6.033 5.713 320 2HB ALA 42 2HB ALA 42 -15.757 -5.671 4.022 321 3HB ALA 42 3HB ALA 42 -14.295 -6.559 4.453 322 H ALA 43 H ALA 43 -18.549 -7.102 4.290 323 HA ALA 43 HA ALA 43 -19.245 -7.838 7.117 324 1HB ALA 43 1HB ALA 43 -19.735 -5.447 5.420 325 2HB ALA 43 2HB ALA 43 -19.516 -5.557 7.167 326 3HB ALA 43 3HB ALA 43 -21.075 -5.957 6.447 327 H ASN 44 H ASN 44 -19.739 -8.613 3.879 328 HA ASN 44 HA ASN 44 -22.388 -9.859 4.537 329 1HB ASN 44 2HB ASN 44 -23.309 -8.972 2.609 330 2HB ASN 44 1HB ASN 44 -22.130 -7.707 2.960 331 1HD2 ASN 44 1HD2 ASN 44 -20.914 -7.161 1.153 332 2HD2 ASN 44 2HD2 ASN 44 -20.480 -8.227 -0.095 333 H PHE 45 H PHE 45 -19.274 -10.574 3.982 334 HA PHE 45 HA PHE 45 -18.151 -12.466 3.110 335 1HB PHE 45 2HB PHE 45 -21.010 -13.409 3.457 336 2HB PHE 45 1HB PHE 45 -19.684 -14.500 3.055 337 HD1 PHE 45 1HD PHE 45 -20.094 -11.593 5.402 338 HD2 PHE 45 2HD PHE 45 -18.943 -15.701 4.903 339 HE1 PHE 45 1HE PHE 45 -19.458 -11.705 7.797 340 HE2 PHE 45 2HE PHE 45 -18.307 -15.814 7.298 341 HZ PHE 45 HZ PHE 45 -18.565 -13.815 8.744 342 H ALA 46 H ALA 46 -17.769 -13.552 1.075 343 HA ALA 46 HA ALA 46 -19.198 -12.305 -1.209 344 1HB ALA 46 1HB ALA 46 -17.189 -13.908 -2.207 345 2HB ALA 46 2HB ALA 46 -16.571 -13.506 -0.605 346 3HB ALA 46 3HB ALA 46 -16.981 -12.220 -1.739 347 H LYS 47 H LYS 47 -21.158 -13.481 -1.212 348 HA LYS 47 HA LYS 47 -20.919 -16.310 -2.155 349 1HB LYS 47 2HB LYS 47 -21.808 -15.490 0.349 350 2HB LYS 47 1HB LYS 47 -23.306 -15.675 -0.564 351 1HG LYS 47 2HG LYS 47 -22.838 -17.951 -1.075 352 2HG LYS 47 1HG LYS 47 -21.155 -17.797 -0.573 353 1HD LYS 47 2HD LYS 47 -21.750 -17.631 1.730 354 2HD LYS 47 1HD LYS 47 -23.453 -17.379 1.346 355 1HE LYS 47 2HE LYS 47 -22.820 -19.811 0.101 356 2HE LYS 47 1HE LYS 47 -22.016 -19.888 1.681 357 1HZ LYS 47 1HZ LYS 47 -23.981 -20.081 2.668 358 2HZ LYS 47 2HZ LYS 47 -24.513 -18.626 1.969 359 H ALA 48 H ALA 48 -23.624 -16.736 -2.703 360 HA ALA 48 HA ALA 48 -24.063 -15.416 -5.155 361 1HB ALA 48 1HB ALA 48 -25.699 -16.878 -3.122 362 2HB ALA 48 2HB ALA 48 -25.452 -17.246 -4.830 363 3HB ALA 48 3HB ALA 48 -26.581 -15.976 -4.355 364 H LYS 49 H LYS 49 -24.626 -14.382 -1.874 365 HA LYS 49 HA LYS 49 -26.399 -12.165 -2.425 366 1HB LYS 49 2HB LYS 49 -24.885 -13.356 -0.227 367 2HB LYS 49 1HB LYS 49 -24.873 -11.594 -0.149 368 1HG LYS 49 2HG LYS 49 -26.948 -11.688 0.720 369 2HG LYS 49 1HG LYS 49 -27.511 -12.292 -0.837 370 1HD LYS 49 2HD LYS 49 -26.841 -14.612 -0.066 371 2HD LYS 49 1HD LYS 49 -26.577 -13.923 1.537 372 1HE LYS 49 2HE LYS 49 -29.137 -14.428 0.095 373 2HE LYS 49 1HE LYS 49 -28.795 -14.455 1.836 374 1HZ LYS 49 1HZ LYS 49 -30.031 -12.425 0.585 375 2HZ LYS 49 2HZ LYS 49 -29.162 -12.262 2.036 376 H ARG 50 H ARG 50 -22.853 -12.377 -1.861 377 HA ARG 50 HA ARG 50 -22.265 -9.629 -2.342 378 1HB ARG 50 2HB ARG 50 -20.362 -10.577 -1.560 379 2HB ARG 50 1HB ARG 50 -20.917 -12.188 -2.012 380 1HG ARG 50 2HG ARG 50 -19.210 -12.091 -3.518 381 2HG ARG 50 1HG ARG 50 -20.353 -11.139 -4.466 382 1HD ARG 50 2HD ARG 50 -18.984 -9.343 -4.319 383 2HD ARG 50 1HD ARG 50 -19.072 -9.412 -2.547 384 HE ARG 50 HE ARG 50 -16.878 -10.268 -2.682 385 1HH1 ARG 50 1HH1 ARG 50 -18.858 -11.392 -5.271 386 1HH2 ARG 50 1HH2 ARG 50 -15.279 -11.630 -3.518 387 2HH2 ARG 50 2HH2 ARG 50 -15.616 -12.574 -4.930 388 H THR 51 H THR 51 -22.912 -12.301 -4.529 389 HA THR 51 HA THR 51 -21.758 -11.142 -6.912 390 HB THR 51 HB THR 51 -24.078 -13.074 -6.565 391 HG1 THR 51 1HG THR 51 -21.461 -13.892 -7.053 392 1HG2 THR 51 1HG2 THR 51 -22.071 -13.060 -8.805 393 2HG2 THR 51 2HG2 THR 51 -23.474 -11.993 -8.864 394 3HG2 THR 51 3HG2 THR 51 -23.698 -13.740 -8.778 395 H ARG 52 H ARG 52 -24.929 -10.964 -5.339 396 HA ARG 52 HA ARG 52 -26.009 -9.234 -7.493 397 1HB ARG 52 2HB ARG 52 -27.256 -11.105 -6.282 398 2HB ARG 52 1HB ARG 52 -27.242 -10.073 -4.851 399 1HG ARG 52 2HG ARG 52 -29.200 -9.272 -5.692 400 2HG ARG 52 1HG ARG 52 -28.151 -8.329 -6.751 401 1HD ARG 52 2HD ARG 52 -29.151 -9.370 -8.503 402 2HD ARG 52 1HD ARG 52 -28.358 -10.868 -7.972 403 HE ARG 52 HE ARG 52 -30.931 -10.039 -6.705 404 1HH1 ARG 52 1HH1 ARG 52 -28.968 -12.214 -8.523 405 1HH2 ARG 52 1HH2 ARG 52 -32.429 -11.729 -6.594 406 2HH2 ARG 52 2HH2 ARG 52 -32.065 -13.243 -7.353 407 H ILE 53 H ILE 53 -26.063 -8.960 -3.928 408 HA ILE 53 HA ILE 53 -26.419 -6.216 -3.675 409 HB ILE 53 HB ILE 53 -25.041 -8.367 -2.131 410 1HG1 ILE 53 2HG1 ILE 53 -27.135 -6.319 -1.343 411 2HG1 ILE 53 1HG1 ILE 53 -27.518 -7.881 -2.067 412 1HG2 ILE 53 1HG2 ILE 53 -23.798 -7.021 -0.797 413 2HG2 ILE 53 2HG2 ILE 53 -25.048 -5.779 -0.745 414 3HG2 ILE 53 3HG2 ILE 53 -23.922 -5.841 -2.101 415 1HD1 ILE 53 1HD1 ILE 53 -25.667 -8.196 0.145 416 2HD1 ILE 53 2HD1 ILE 53 -27.247 -8.940 -0.097 417 3HD1 ILE 53 3HD1 ILE 53 -27.127 -7.353 0.662 418 H LEU 54 H LEU 54 -23.324 -7.936 -4.166 419 HA LEU 54 HA LEU 54 -21.672 -5.558 -4.120 420 1HB LEU 54 2HB LEU 54 -21.103 -8.084 -3.863 421 2HB LEU 54 1HB LEU 54 -21.097 -8.113 -5.627 422 HG LEU 54 HG LEU 54 -19.606 -5.829 -4.680 423 1HD1 LEU 54 1HD1 LEU 54 -18.261 -6.657 -3.063 424 2HD1 LEU 54 2HD1 LEU 54 -18.023 -8.170 -3.938 425 3HD1 LEU 54 3HD1 LEU 54 -19.432 -7.965 -2.898 426 1HD2 LEU 54 1HD2 LEU 54 -17.852 -6.869 -6.076 427 2HD2 LEU 54 2HD2 LEU 54 -19.409 -6.892 -6.905 428 3HD2 LEU 54 3HD2 LEU 54 -18.792 -8.361 -6.146 429 H GLU 55 H GLU 55 -22.680 -7.643 -6.835 430 HA GLU 55 HA GLU 55 -21.857 -5.932 -8.947 431 1HB GLU 55 2HB GLU 55 -23.473 -8.316 -8.504 432 2HB GLU 55 1HB GLU 55 -24.125 -7.331 -9.813 433 1HG GLU 55 2HG GLU 55 -21.800 -7.236 -10.791 434 2HG GLU 55 1HG GLU 55 -21.305 -8.412 -9.573 435 H LYS 56 H LYS 56 -25.054 -6.212 -7.357 436 HA LYS 56 HA LYS 56 -26.276 -4.105 -8.931 437 1HB LYS 56 2HB LYS 56 -27.322 -6.065 -7.617 438 2HB LYS 56 1HB LYS 56 -27.092 -5.066 -6.182 439 1HG LYS 56 2HG LYS 56 -29.367 -4.819 -7.219 440 2HG LYS 56 1HG LYS 56 -28.471 -3.303 -7.118 441 1HD LYS 56 2HD LYS 56 -27.766 -3.552 -9.465 442 2HD LYS 56 1HD LYS 56 -28.651 -5.075 -9.573 443 1HE LYS 56 2HE LYS 56 -29.836 -2.321 -9.079 444 2HE LYS 56 1HE LYS 56 -30.086 -3.355 -10.499 445 1HZ LYS 56 1HZ LYS 56 -31.902 -3.851 -9.158 446 2HZ LYS 56 2HZ LYS 56 -30.998 -3.784 -7.722 447 H GLU 57 H GLU 57 -24.394 -4.206 -5.970 448 HA GLU 57 HA GLU 57 -25.065 -1.400 -5.290 449 1HB GLU 57 2HB GLU 57 -24.841 -3.286 -3.624 450 2HB GLU 57 1HB GLU 57 -23.122 -3.351 -4.015 451 1HG GLU 57 2HG GLU 57 -23.625 -1.960 -1.988 452 2HG GLU 57 1HG GLU 57 -22.812 -1.059 -3.270 453 H VAL 58 H VAL 58 -22.254 -3.340 -6.337 454 HA VAL 58 HA VAL 58 -20.722 -0.809 -6.764 455 HB VAL 58 HB VAL 58 -19.095 -3.063 -7.179 456 1HG1 VAL 58 1HG1 VAL 58 -18.004 -1.504 -5.934 457 2HG1 VAL 58 2HG1 VAL 58 -18.675 -2.377 -4.557 458 3HG1 VAL 58 3HG1 VAL 58 -19.491 -0.940 -5.171 459 1HG2 VAL 58 1HG2 VAL 58 -19.740 -4.062 -4.750 460 2HG2 VAL 58 2HG2 VAL 58 -20.378 -4.728 -6.253 461 3HG2 VAL 58 3HG2 VAL 58 -21.348 -3.598 -5.309 462 H LEU 59 H LEU 59 -21.678 -3.846 -8.401 463 HA LEU 59 HA LEU 59 -20.471 -3.818 -10.827 464 1HB LEU 59 2HB LEU 59 -22.574 -5.075 -9.925 465 2HB LEU 59 1HB LEU 59 -23.485 -3.790 -10.719 466 HG LEU 59 HG LEU 59 -21.338 -5.301 -12.199 467 1HD1 LEU 59 1HD1 LEU 59 -22.586 -7.177 -12.011 468 2HD1 LEU 59 2HD1 LEU 59 -23.774 -6.357 -13.025 469 3HD1 LEU 59 3HD1 LEU 59 -23.924 -6.299 -11.269 470 1HD2 LEU 59 1HD2 LEU 59 -23.495 -3.357 -12.791 471 2HD2 LEU 59 2HD2 LEU 59 -23.329 -4.674 -13.953 472 3HD2 LEU 59 3HD2 LEU 59 -21.958 -3.618 -13.616 473 H LYS 60 H LYS 60 -23.108 -1.562 -9.955 474 HA LYS 60 HA LYS 60 -22.675 -0.018 -12.445 475 1HB LYS 60 2HB LYS 60 -24.889 0.280 -12.088 476 2HB LYS 60 1HB LYS 60 -24.762 -0.496 -10.509 477 1HG LYS 60 2HG LYS 60 -23.854 2.349 -10.880 478 2HG LYS 60 1HG LYS 60 -25.558 1.984 -10.612 479 1HD LYS 60 2HD LYS 60 -23.928 0.493 -8.752 480 2HD LYS 60 1HD LYS 60 -23.540 2.211 -8.651 481 1HE LYS 60 2HE LYS 60 -25.605 1.138 -7.288 482 2HE LYS 60 1HE LYS 60 -25.676 2.788 -7.938 483 1HZ LYS 60 1HZ LYS 60 -26.693 0.299 -9.191 484 2HZ LYS 60 2HZ LYS 60 -27.581 1.681 -8.758 485 H GLU 61 H GLU 61 -22.006 0.148 -9.001 486 HA GLU 61 HA GLU 61 -21.275 2.960 -8.939 487 1HB GLU 61 2HB GLU 61 -21.705 0.813 -7.163 488 2HB GLU 61 1HB GLU 61 -20.022 1.290 -6.924 489 1HG GLU 61 2HG GLU 61 -22.115 3.429 -7.101 490 2HG GLU 61 1HG GLU 61 -21.959 2.516 -5.600 491 H THR 62 H THR 62 -19.097 0.254 -8.161 492 HA THR 62 HA THR 62 -17.151 1.105 -10.217 493 HB THR 62 HB THR 62 -16.180 1.082 -7.386 494 HG1 THR 62 1HG THR 62 -18.230 2.502 -8.008 495 1HG2 THR 62 1HG2 THR 62 -15.337 3.285 -9.033 496 2HG2 THR 62 2HG2 THR 62 -15.192 1.784 -9.946 497 3HG2 THR 62 3HG2 THR 62 -14.372 1.955 -8.395 498 H HIS 63 H HIS 63 -18.710 -1.337 -8.988 499 HA HIS 63 HA HIS 63 -16.794 -3.193 -7.955 500 1HB HIS 63 2HB HIS 63 -18.741 -4.318 -7.756 501 2HB HIS 63 1HB HIS 63 -19.538 -3.069 -8.711 502 HD1 HIS 63 1HD HIS 63 -19.046 -6.571 -8.755 503 HD2 HIS 63 2HD HIS 63 -18.842 -3.621 -11.695 504 HE1 HIS 63 1HE HIS 63 -19.280 -7.759 -10.980 505 H GLU 64 H GLU 64 -14.997 -3.885 -9.050 506 HA GLU 64 HA GLU 64 -15.282 -4.521 -11.965 507 1HB GLU 64 2HB GLU 64 -13.496 -2.662 -10.516 508 2HB GLU 64 1HB GLU 64 -12.685 -3.693 -11.694 509 1HG GLU 64 2HG GLU 64 -13.888 -2.822 -13.491 510 2HG GLU 64 1HG GLU 64 -15.232 -2.308 -12.471 511 H LYS 65 H LYS 65 -14.090 -6.363 -12.631 512 HA LYS 65 HA LYS 65 -13.136 -8.109 -10.424 513 1HB LYS 65 2HB LYS 65 -14.119 -8.385 -13.233 514 2HB LYS 65 1HB LYS 65 -13.039 -9.641 -12.625 515 1HG LYS 65 2HG LYS 65 -15.525 -10.060 -12.251 516 2HG LYS 65 1HG LYS 65 -14.514 -10.154 -10.808 517 1HD LYS 65 2HD LYS 65 -15.085 -7.571 -10.638 518 2HD LYS 65 1HD LYS 65 -16.481 -8.042 -11.607 519 1HE LYS 65 2HE LYS 65 -15.769 -8.839 -8.801 520 2HE LYS 65 1HE LYS 65 -17.355 -8.439 -9.491 521 1HZ LYS 65 1HZ LYS 65 -16.498 -10.560 -10.970 522 2HZ LYS 65 2HZ LYS 65 -16.012 -10.968 -9.394 523 H VAL 66 H VAL 66 -10.960 -8.185 -10.012 524 HA VAL 66 HA VAL 66 -9.046 -7.086 -11.979 525 HB VAL 66 HB VAL 66 -7.520 -7.779 -9.926 526 1HG1 VAL 66 1HG1 VAL 66 -8.646 -5.466 -10.729 527 2HG1 VAL 66 2HG1 VAL 66 -7.715 -5.595 -9.237 528 3HG1 VAL 66 3HG1 VAL 66 -9.476 -5.660 -9.185 529 1HG2 VAL 66 1HG2 VAL 66 -8.578 -8.618 -8.117 530 2HG2 VAL 66 2HG2 VAL 66 -10.000 -8.830 -9.139 531 3HG2 VAL 66 3HG2 VAL 66 -9.811 -7.359 -8.184 532 H GLN 67 H GLN 67 -7.984 -8.408 -13.400 533 HA GLN 67 HA GLN 67 -7.476 -11.249 -12.615 534 1HB GLN 67 2HB GLN 67 -8.124 -11.726 -15.084 535 2HB GLN 67 1HB GLN 67 -9.432 -11.393 -13.948 536 1HG GLN 67 2HG GLN 67 -8.366 -8.936 -15.084 537 2HG GLN 67 1HG GLN 67 -8.933 -10.035 -16.342 538 1HE2 GLN 67 1HE2 GLN 67 -10.198 -9.594 -13.001 539 2HE2 GLN 67 2HE2 GLN 67 -11.763 -9.156 -13.492 540 H GLY 68 H GLY 68 -5.665 -12.196 -13.806 541 1HA GLY 68 2HA GLY 68 -3.758 -12.091 -15.259 542 2HA GLY 68 1HA GLY 68 -4.067 -10.371 -15.499 543 H GLY 69 H GLY 69 -4.416 -10.599 -12.311 544 1HA GLY 69 2HA GLY 69 -2.804 -10.730 -10.490 545 2HA GLY 69 1HA GLY 69 -1.507 -10.558 -11.674 546 H PHE 70 H PHE 70 -4.007 -8.447 -12.426 547 HA PHE 70 HA PHE 70 -2.483 -6.171 -11.236 548 1HB PHE 70 2HB PHE 70 -4.460 -6.459 -13.518 549 2HB PHE 70 1HB PHE 70 -3.812 -4.905 -12.991 550 HD1 PHE 70 1HD PHE 70 -3.420 -6.163 -15.759 551 HD2 PHE 70 2HD PHE 70 -1.068 -6.293 -12.167 552 HE1 PHE 70 1HE PHE 70 -1.378 -6.553 -17.111 553 HE2 PHE 70 2HE PHE 70 0.975 -6.683 -13.519 554 HZ PHE 70 HZ PHE 70 0.820 -6.812 -15.991 555 H GLY 71 H GLY 71 -3.464 -6.272 -9.101 556 1HA GLY 71 2HA GLY 71 -5.043 -5.320 -7.603 557 2HA GLY 71 1HA GLY 71 -6.084 -4.954 -8.980 558 H LYS 72 H LYS 72 -4.806 -8.174 -8.652 559 HA LYS 72 HA LYS 72 -7.467 -9.328 -8.597 560 1HB LYS 72 2HB LYS 72 -6.169 -10.979 -9.438 561 2HB LYS 72 1HB LYS 72 -4.712 -10.102 -8.966 562 1HG LYS 72 2HG LYS 72 -6.323 -12.029 -7.273 563 2HG LYS 72 1HG LYS 72 -4.658 -12.221 -7.825 564 1HD LYS 72 2HD LYS 72 -4.967 -9.714 -6.409 565 2HD LYS 72 1HD LYS 72 -5.508 -11.060 -5.406 566 1HE LYS 72 2HE LYS 72 -3.270 -11.251 -4.923 567 2HE LYS 72 1HE LYS 72 -3.207 -12.099 -6.481 568 1HZ LYS 72 1HZ LYS 72 -3.213 -9.195 -6.602 569 2HZ LYS 72 2HZ LYS 72 -1.800 -9.896 -5.974 570 H TYR 73 H TYR 73 -5.537 -7.951 -6.209 571 HA TYR 73 HA TYR 73 -6.345 -9.728 -4.004 572 1HB TYR 73 2HB TYR 73 -4.624 -7.357 -4.493 573 2HB TYR 73 1HB TYR 73 -5.336 -7.450 -2.882 574 HD1 TYR 73 1HD TYR 73 -2.496 -8.277 -4.652 575 HD2 TYR 73 2HD TYR 73 -5.355 -10.072 -1.994 576 HE1 TYR 73 1HE TYR 73 -0.824 -9.993 -4.012 577 HE2 TYR 73 2HE TYR 73 -3.682 -11.787 -1.354 578 HH TYR 73 HH TYR 73 -0.766 -11.651 -1.492 579 H GLN 74 H GLN 74 -7.391 -6.773 -5.576 580 HA GLN 74 HA GLN 74 -9.352 -6.171 -3.428 581 1HB GLN 74 2HB GLN 74 -9.548 -4.080 -4.536 582 2HB GLN 74 1HB GLN 74 -7.847 -4.506 -4.723 583 1HG GLN 74 2HG GLN 74 -9.233 -5.717 -6.882 584 2HG GLN 74 1HG GLN 74 -9.812 -4.055 -6.772 585 1HE2 GLN 74 1HE2 GLN 74 -6.550 -5.164 -5.823 586 2HE2 GLN 74 2HE2 GLN 74 -5.725 -4.270 -7.008 587 H GLY 75 H GLY 75 -9.266 -7.074 -6.883 588 1HA GLY 75 2HA GLY 75 -10.886 -8.220 -8.152 589 2HA GLY 75 1HA GLY 75 -11.784 -8.497 -6.657 590 H THR 76 H THR 76 -13.320 -6.939 -5.982 591 HA THR 76 HA THR 76 -14.193 -5.084 -8.155 592 HB THR 76 HB THR 76 -16.072 -5.303 -6.023 593 HG1 THR 76 1HG THR 76 -15.906 -7.853 -6.722 594 1HG2 THR 76 1HG2 THR 76 -17.179 -5.237 -7.997 595 2HG2 THR 76 2HG2 THR 76 -16.951 -6.985 -8.022 596 3HG2 THR 76 3HG2 THR 76 -15.822 -5.937 -8.880 597 H TRP 77 H TRP 77 -12.361 -3.605 -7.359 598 HA TRP 77 HA TRP 77 -12.598 -2.378 -4.730 599 1HB TRP 77 2HB TRP 77 -10.996 -0.716 -6.015 600 2HB TRP 77 1HB TRP 77 -10.443 -2.346 -5.630 601 HD1 TRP 77 HD TRP 77 -12.985 -2.563 -8.254 602 HE1 TRP 77 1HE TRP 77 -11.899 -2.857 -10.574 603 HE3 TRP 77 3HE TRP 77 -8.147 -1.391 -7.118 604 HZ2 TRP 77 2HZ TRP 77 -9.318 -2.624 -11.788 605 HZ3 TRP 77 3HZ TRP 77 -6.397 -1.433 -8.872 606 HH2 TRP 77 HH TRP 77 -6.976 -2.048 -11.203 607 H VAL 78 H VAL 78 -13.054 -0.040 -4.451 608 HA VAL 78 HA VAL 78 -14.870 1.116 -6.528 609 HB VAL 78 HB VAL 78 -15.771 1.674 -3.838 610 1HG1 VAL 78 1HG1 VAL 78 -17.063 1.733 -6.013 611 2HG1 VAL 78 2HG1 VAL 78 -17.867 0.856 -4.710 612 3HG1 VAL 78 3HG1 VAL 78 -17.046 -0.031 -5.993 613 1HG2 VAL 78 1HG2 VAL 78 -16.521 -0.887 -3.640 614 2HG2 VAL 78 2HG2 VAL 78 -15.015 -0.311 -2.927 615 3HG2 VAL 78 3HG2 VAL 78 -14.993 -1.138 -4.484 616 HA PRO 79 HA PRO 79 -12.853 4.950 -5.928 617 1HB PRO 79 2HB PRO 79 -15.455 6.184 -5.176 618 2HB PRO 79 1HB PRO 79 -14.335 6.625 -6.479 619 1HG PRO 79 2HG PRO 79 -16.658 5.354 -6.940 620 2HG PRO 79 1HG PRO 79 -15.217 5.110 -7.938 621 1HD PRO 79 2HD PRO 79 -16.454 3.306 -5.949 622 2HD PRO 79 1HD PRO 79 -15.456 2.921 -7.368 623 H LEU 80 H LEU 80 -11.624 5.100 -4.067 624 HA LEU 80 HA LEU 80 -12.334 4.439 -1.453 625 1HB LEU 80 2HB LEU 80 -10.120 4.914 -1.439 626 2HB LEU 80 1HB LEU 80 -10.276 5.942 -2.864 627 HG LEU 80 HG LEU 80 -11.270 6.948 -0.218 628 1HD1 LEU 80 1HD1 LEU 80 -8.955 7.972 0.067 629 2HD1 LEU 80 2HD1 LEU 80 -8.391 6.822 -1.146 630 3HD1 LEU 80 3HD1 LEU 80 -9.058 6.239 0.380 631 1HD2 LEU 80 1HD2 LEU 80 -9.870 8.875 -1.757 632 2HD2 LEU 80 2HD2 LEU 80 -11.613 8.752 -1.525 633 3HD2 LEU 80 3HD2 LEU 80 -10.847 7.943 -2.891 634 H ASN 81 H ASN 81 -12.922 7.486 -3.173 635 HA ASN 81 HA ASN 81 -13.747 9.061 -0.924 636 1HB ASN 81 2HB ASN 81 -15.129 10.107 -2.986 637 2HB ASN 81 1HB ASN 81 -13.383 10.311 -2.838 638 1HD2 ASN 81 1HD2 ASN 81 -13.857 10.498 -5.373 639 2HD2 ASN 81 2HD2 ASN 81 -13.703 9.047 -6.241 640 H ILE 82 H ILE 82 -15.454 6.789 -3.037 641 HA ILE 82 HA ILE 82 -17.995 7.245 -1.544 642 HB ILE 82 HB ILE 82 -17.569 7.100 -4.158 643 1HG1 ILE 82 2HG1 ILE 82 -19.792 6.455 -2.413 644 2HG1 ILE 82 1HG1 ILE 82 -19.813 7.265 -3.980 645 1HG2 ILE 82 1HG2 ILE 82 -17.762 4.870 -5.055 646 2HG2 ILE 82 2HG2 ILE 82 -18.009 4.188 -3.448 647 3HG2 ILE 82 3HG2 ILE 82 -16.437 4.853 -3.892 648 1HD1 ILE 82 1HD1 ILE 82 -19.657 4.262 -3.596 649 2HD1 ILE 82 2HD1 ILE 82 -19.788 5.114 -5.135 650 3HD1 ILE 82 3HD1 ILE 82 -21.130 5.148 -3.989 651 H ALA 83 H ALA 83 -15.514 4.819 -2.205 652 HA ALA 83 HA ALA 83 -16.812 2.521 -1.123 653 1HB ALA 83 1HB ALA 83 -14.500 1.677 -0.969 654 2HB ALA 83 2HB ALA 83 -13.882 3.322 -1.121 655 3HB ALA 83 3HB ALA 83 -14.726 2.568 -2.475 656 H LYS 84 H LYS 84 -14.400 4.665 0.473 657 HA LYS 84 HA LYS 84 -14.606 3.580 3.071 658 1HB LYS 84 2HB LYS 84 -13.041 5.359 1.982 659 2HB LYS 84 1HB LYS 84 -14.263 6.522 2.498 660 1HG LYS 84 2HG LYS 84 -13.955 6.001 4.789 661 2HG LYS 84 1HG LYS 84 -13.101 4.503 4.417 662 1HD LYS 84 2HD LYS 84 -11.786 6.795 3.201 663 2HD LYS 84 1HD LYS 84 -11.930 6.989 4.949 664 1HE LYS 84 2HE LYS 84 -10.955 4.693 5.240 665 2HE LYS 84 1HE LYS 84 -10.684 4.635 3.486 666 1HZ LYS 84 1HZ LYS 84 -9.706 7.029 4.015 667 2HZ LYS 84 2HZ LYS 84 -9.383 6.288 5.509 668 H GLN 85 H GLN 85 -16.743 5.796 1.362 669 HA GLN 85 HA GLN 85 -18.223 6.690 3.694 670 1HB GLN 85 2HB GLN 85 -18.478 8.111 1.891 671 2HB GLN 85 1HB GLN 85 -18.407 6.796 0.717 672 1HG GLN 85 2HG GLN 85 -20.664 6.199 1.067 673 2HG GLN 85 1HG GLN 85 -20.750 7.078 2.594 674 1HE2 GLN 85 1HE2 GLN 85 -19.091 9.265 0.966 675 2HE2 GLN 85 2HE2 GLN 85 -20.325 10.123 0.175 676 H LEU 86 H LEU 86 -18.543 4.016 1.390 677 HA LEU 86 HA LEU 86 -21.162 3.173 2.360 678 1HB LEU 86 2HB LEU 86 -19.446 2.705 0.187 679 2HB LEU 86 1HB LEU 86 -19.590 1.151 1.009 680 HG LEU 86 HG LEU 86 -22.181 2.332 0.956 681 1HD1 LEU 86 1HD1 LEU 86 -21.567 3.733 -0.887 682 2HD1 LEU 86 2HD1 LEU 86 -22.439 2.367 -1.580 683 3HD1 LEU 86 3HD1 LEU 86 -20.678 2.427 -1.669 684 1HD2 LEU 86 1HD2 LEU 86 -22.217 0.301 -0.893 685 2HD2 LEU 86 2HD2 LEU 86 -22.330 0.062 0.851 686 3HD2 LEU 86 3HD2 LEU 86 -20.772 -0.094 0.038 687 H ALA 87 H ALA 87 -17.817 1.951 2.739 688 HA ALA 87 HA ALA 87 -18.448 -0.241 4.462 689 1HB ALA 87 1HB ALA 87 -16.317 -0.215 3.463 690 2HB ALA 87 2HB ALA 87 -15.957 0.232 5.131 691 3HB ALA 87 3HB ALA 87 -16.041 1.476 3.884 692 H GLU 88 H GLU 88 -17.484 3.121 5.188 693 HA GLU 88 HA GLU 88 -17.346 3.025 7.986 694 1HB GLU 88 2HB GLU 88 -17.092 5.242 7.634 695 2HB GLU 88 1HB GLU 88 -17.349 4.895 5.929 696 1HG GLU 88 2HG GLU 88 -19.504 5.673 5.950 697 2HG GLU 88 1HG GLU 88 -19.795 5.115 7.599 698 H LYS 89 H LYS 89 -20.094 2.761 5.896 699 HA LYS 89 HA LYS 89 -22.172 3.503 7.763 700 1HB LYS 89 2HB LYS 89 -22.103 3.108 5.150 701 2HB LYS 89 1HB LYS 89 -22.498 1.446 5.592 702 1HG LYS 89 2HG LYS 89 -24.497 2.955 5.138 703 2HG LYS 89 1HG LYS 89 -24.515 2.125 6.695 704 1HD LYS 89 2HD LYS 89 -25.120 4.495 6.975 705 2HD LYS 89 1HD LYS 89 -23.588 4.147 7.778 706 1HE LYS 89 2HE LYS 89 -23.962 6.214 5.997 707 2HE LYS 89 1HE LYS 89 -22.389 5.463 6.328 708 1HZ LYS 89 1HZ LYS 89 -23.978 5.298 3.978 709 2HZ LYS 89 2HZ LYS 89 -22.390 4.754 4.234 710 H PHE 90 H PHE 90 -22.648 0.344 6.562 711 HA PHE 90 HA PHE 90 -22.348 -0.779 9.324 712 1HB PHE 90 2HB PHE 90 -24.102 -1.463 6.946 713 2HB PHE 90 1HB PHE 90 -24.027 -2.450 8.406 714 HD1 PHE 90 1HD PHE 90 -26.477 -1.995 8.744 715 HD2 PHE 90 2HD PHE 90 -23.531 1.132 8.773 716 HE1 PHE 90 1HE PHE 90 -28.095 -0.481 9.856 717 HE2 PHE 90 2HE PHE 90 -25.150 2.646 9.884 718 HZ PHE 90 HZ PHE 90 -27.433 1.840 10.426 719 H SER 91 H SER 91 -20.474 -0.566 6.759 720 HA SER 91 HA SER 91 -19.973 -3.318 6.017 721 1HB SER 91 2HB SER 91 -19.521 -1.394 4.564 722 2HB SER 91 1HB SER 91 -18.367 -0.763 5.735 723 HG SER 91 HG SER 91 -18.188 -2.986 4.033 724 H VAL 92 H VAL 92 -17.060 -1.713 6.711 725 HA VAL 92 HA VAL 92 -16.616 -3.415 9.134 726 HB VAL 92 HB VAL 92 -14.420 -2.510 7.310 727 1HG1 VAL 92 1HG1 VAL 92 -13.844 -3.806 9.280 728 2HG1 VAL 92 2HG1 VAL 92 -13.612 -4.824 7.859 729 3HG1 VAL 92 3HG1 VAL 92 -15.040 -5.034 8.871 730 1HG2 VAL 92 1HG2 VAL 92 -16.608 -4.458 6.628 731 2HG2 VAL 92 2HG2 VAL 92 -14.972 -4.742 6.033 732 3HG2 VAL 92 3HG2 VAL 92 -15.825 -3.261 5.595 733 H TYR 93 H TYR 93 -17.355 -0.399 8.544 734 HA TYR 93 HA TYR 93 -15.529 1.519 9.074 735 1HB TYR 93 2HB TYR 93 -17.500 2.527 9.528 736 2HB TYR 93 1HB TYR 93 -18.257 0.962 9.826 737 HD1 TYR 93 1HD TYR 93 -15.695 3.127 11.525 738 HD2 TYR 93 2HD TYR 93 -19.245 0.740 11.915 739 HE1 TYR 93 1HE TYR 93 -15.760 3.619 13.956 740 HE2 TYR 93 2HE TYR 93 -19.309 1.231 14.345 741 HH TYR 93 HH TYR 93 -17.279 3.636 15.786 742 H ASP 94 H ASP 94 -16.304 -1.123 11.280 743 HA ASP 94 HA ASP 94 -14.583 -0.018 13.418 744 1HB ASP 94 2HB ASP 94 -16.703 -1.992 13.071 745 2HB ASP 94 1HB ASP 94 -15.371 -2.634 14.032 746 H GLN 95 H GLN 95 -14.712 -3.054 11.504 747 HA GLN 95 HA GLN 95 -12.171 -4.058 12.300 748 1HB GLN 95 2HB GLN 95 -14.307 -4.652 10.492 749 2HB GLN 95 1HB GLN 95 -12.788 -4.797 9.607 750 1HG GLN 95 2HG GLN 95 -12.161 -6.643 10.760 751 2HG GLN 95 1HG GLN 95 -12.675 -5.956 12.301 752 1HE2 GLN 95 1HE2 GLN 95 -15.397 -5.511 10.643 753 2HE2 GLN 95 2HE2 GLN 95 -16.173 -7.005 10.862 754 H LEU 96 H LEU 96 -13.052 -1.590 9.974 755 HA LEU 96 HA LEU 96 -10.402 -1.613 8.669 756 1HB LEU 96 2HB LEU 96 -12.516 0.507 8.368 757 2HB LEU 96 1HB LEU 96 -11.432 -0.157 7.146 758 HG LEU 96 HG LEU 96 -13.556 -1.841 8.479 759 1HD1 LEU 96 1HD1 LEU 96 -14.464 -1.289 5.925 760 2HD1 LEU 96 2HD1 LEU 96 -13.843 0.272 6.464 761 3HD1 LEU 96 3HD1 LEU 96 -15.083 -0.557 7.406 762 1HD2 LEU 96 1HD2 LEU 96 -11.662 -2.088 6.173 763 2HD2 LEU 96 2HD2 LEU 96 -13.225 -2.896 6.054 764 3HD2 LEU 96 3HD2 LEU 96 -12.126 -3.293 7.374 765 H LYS 97 H LYS 97 -10.768 -0.959 11.619 766 HA LYS 97 HA LYS 97 -10.516 1.774 12.218 767 1HB LYS 97 2HB LYS 97 -9.898 -0.818 13.387 768 2HB LYS 97 1HB LYS 97 -8.717 0.397 13.878 769 1HG LYS 97 2HG LYS 97 -10.850 1.890 14.274 770 2HG LYS 97 1HG LYS 97 -11.680 0.335 14.360 771 1HD LYS 97 2HD LYS 97 -10.938 1.079 16.600 772 2HD LYS 97 1HD LYS 97 -10.125 -0.410 16.117 773 1HE LYS 97 2HE LYS 97 -8.083 0.591 16.139 774 2HE LYS 97 1HE LYS 97 -8.687 2.003 15.249 775 1HZ LYS 97 1HZ LYS 97 -8.847 3.110 17.152 776 2HZ LYS 97 2HZ LYS 97 -9.915 1.940 17.767 777 HA PRO 98 HA PRO 98 -5.746 1.302 11.530 778 1HB PRO 98 2HB PRO 98 -5.084 -0.787 9.814 779 2HB PRO 98 1HB PRO 98 -4.965 -0.855 11.581 780 1HG PRO 98 2HG PRO 98 -7.049 -1.949 9.783 781 2HG PRO 98 1HG PRO 98 -6.434 -2.578 11.317 782 1HD PRO 98 2HD PRO 98 -8.835 -1.328 11.072 783 2HD PRO 98 1HD PRO 98 -7.873 -1.309 12.566 784 H LEU 99 H LEU 99 -7.327 -0.223 8.683 785 HA LEU 99 HA LEU 99 -6.108 1.359 6.687 786 1HB LEU 99 2HB LEU 99 -7.344 -0.572 6.067 787 2HB LEU 99 1HB LEU 99 -8.770 -0.044 6.961 788 HG LEU 99 HG LEU 99 -7.653 1.210 4.437 789 1HD1 LEU 99 1HD1 LEU 99 -8.952 -0.431 3.543 790 2HD1 LEU 99 2HD1 LEU 99 -10.295 0.612 4.013 791 3HD1 LEU 99 3HD1 LEU 99 -9.801 -0.716 5.063 792 1HD2 LEU 99 1HD2 LEU 99 -8.619 3.114 5.180 793 2HD2 LEU 99 2HD2 LEU 99 -9.331 2.286 6.565 794 3HD2 LEU 99 3HD2 LEU 99 -10.170 2.291 5.014 795 H PHE 100 H PHE 100 -9.040 1.976 8.609 796 HA PHE 100 HA PHE 100 -9.587 4.523 7.254 797 1HB PHE 100 2HB PHE 100 -10.718 2.923 9.545 798 2HB PHE 100 1HB PHE 100 -11.266 4.575 9.259 799 HD1 PHE 100 1HD PHE 100 -13.250 4.705 8.056 800 HD2 PHE 100 2HD PHE 100 -10.431 1.605 7.110 801 HE1 PHE 100 1HE PHE 100 -14.743 3.898 6.247 802 HE2 PHE 100 2HE PHE 100 -11.924 0.798 5.301 803 HZ PHE 100 HZ PHE 100 -14.080 1.945 4.870 804 H ASP 101 H ASP 101 -7.772 3.410 10.008 805 HA ASP 101 HA ASP 101 -7.698 5.982 11.398 806 1HB ASP 101 2HB ASP 101 -6.222 3.346 11.578 807 2HB ASP 101 1HB ASP 101 -5.844 4.702 12.640 808 H PHE 102 H PHE 102 -6.067 4.598 8.703 809 HA PHE 102 HA PHE 102 -4.657 6.846 7.884 810 1HB PHE 102 2HB PHE 102 -3.388 7.119 9.791 811 2HB PHE 102 1HB PHE 102 -3.431 5.400 10.187 812 HD1 PHE 102 1HD PHE 102 -1.933 3.800 9.014 813 HD2 PHE 102 2HD PHE 102 -1.668 8.039 8.374 814 HE1 PHE 102 1HE PHE 102 0.302 3.504 7.982 815 HE2 PHE 102 2HE PHE 102 0.567 7.743 7.341 816 HZ PHE 102 HZ PHE 102 1.552 5.476 7.146 817 H THR 103 H THR 103 -4.421 6.147 5.795 818 HA THR 103 HA THR 103 -2.933 3.604 5.324 819 HB THR 103 HB THR 103 -5.716 4.297 4.711 820 HG1 THR 103 1HG THR 103 -5.693 2.349 5.459 821 1HG2 THR 103 1HG2 THR 103 -3.997 4.372 2.516 822 2HG2 THR 103 2HG2 THR 103 -5.746 4.144 2.463 823 3HG2 THR 103 3HG2 THR 103 -4.673 2.743 2.479 824 H GLN 104 H GLN 104 -3.531 6.855 4.616 825 HA GLN 104 HA GLN 104 -2.103 6.770 2.001 826 1HB GLN 104 2HB GLN 104 -2.851 9.243 2.077 827 2HB GLN 104 1HB GLN 104 -4.125 8.029 1.958 828 1HG GLN 104 2HG GLN 104 -3.414 8.523 4.731 829 2HG GLN 104 1HG GLN 104 -3.895 10.016 3.923 830 1HE2 GLN 104 1HE2 GLN 104 -5.856 9.766 5.447 831 2HE2 GLN 104 2HE2 GLN 104 -7.150 8.810 4.905 832 H THR 105 H THR 105 -0.355 8.429 1.691 833 HA THR 105 HA THR 105 1.679 8.285 3.672 834 HB THR 105 HB THR 105 1.505 8.995 1.073 835 HG1 THR 105 1HG THR 105 3.580 9.000 1.332 836 1HG2 THR 105 1HG2 THR 105 2.352 11.546 1.339 837 2HG2 THR 105 2HG2 THR 105 1.201 11.477 2.673 838 3HG2 THR 105 3HG2 THR 105 0.668 11.123 1.029 839 H ASP 106 H ASP 106 2.153 9.599 5.424 840 HA ASP 106 HA ASP 106 0.150 11.642 6.189 841 1HB ASP 106 2HB ASP 106 1.504 9.682 7.521 842 2HB ASP 106 1HB ASP 106 2.523 11.078 7.873 843 H GLY 107 H GLY 107 2.847 11.691 4.298 844 1HA GLY 107 2HA GLY 107 3.827 13.719 3.446 845 2HA GLY 107 1HA GLY 107 3.362 14.541 4.937 846 H SER 108 H SER 108 4.434 11.924 6.284 847 HA SER 108 HA SER 108 7.180 12.970 6.664 848 1HB SER 108 2HB SER 108 5.416 10.904 7.997 849 2HB SER 108 1HB SER 108 7.102 11.125 8.456 850 HG SER 108 HG SER 108 6.324 12.657 9.670 851 H ALA 109 H ALA 109 8.966 11.242 6.766 852 HA ALA 109 HA ALA 109 9.664 10.060 4.435 853 1HB ALA 109 1HB ALA 109 11.074 9.865 6.353 854 2HB ALA 109 2HB ALA 109 10.669 8.206 5.913 855 3HB ALA 109 3HB ALA 109 9.842 8.989 7.260 856 H SER 110 H SER 110 8.456 8.857 3.015 857 HA SER 110 HA SER 110 6.233 7.175 3.979 858 1HB SER 110 2HB SER 110 6.347 6.817 1.299 859 2HB SER 110 1HB SER 110 5.606 8.233 2.040 860 HG SER 110 HG SER 110 8.238 7.947 1.020 861 HA PRO 111 HA PRO 111 9.164 3.757 4.101 862 1HB PRO 111 2HB PRO 111 7.367 2.021 5.273 863 2HB PRO 111 1HB PRO 111 8.365 3.174 6.179 864 1HG PRO 111 2HG PRO 111 5.505 3.343 5.411 865 2HG PRO 111 1HG PRO 111 6.321 3.922 6.869 866 1HD PRO 111 2HD PRO 111 5.556 5.546 4.812 867 2HD PRO 111 1HD PRO 111 6.907 5.909 5.908 868 HA PRO 112 HA PRO 112 7.940 1.234 0.729 869 1HB PRO 112 2HB PRO 112 8.109 -1.361 1.705 870 2HB PRO 112 1HB PRO 112 9.496 -0.396 1.166 871 1HG PRO 112 2HG PRO 112 8.540 -0.961 3.913 872 2HG PRO 112 1HG PRO 112 10.188 -0.739 3.311 873 1HD PRO 112 2HD PRO 112 8.835 1.162 4.714 874 2HD PRO 112 1HD PRO 112 10.100 1.537 3.521 875 HA PRO 113 HA PRO 113 3.649 0.376 1.086 876 1HB PRO 113 2HB PRO 113 3.367 -1.441 -0.986 877 2HB PRO 113 1HB PRO 113 3.452 0.318 -1.202 878 1HG PRO 113 2HG PRO 113 5.551 -1.739 -1.594 879 2HG PRO 113 1HG PRO 113 5.260 -0.234 -2.479 880 1HD PRO 113 2HD PRO 113 7.241 -0.533 -0.636 881 2HD PRO 113 1HD PRO 113 6.463 1.023 -0.996 882 H ALA 114 H ALA 114 5.409 -2.620 0.230 883 HA ALA 114 HA ALA 114 3.650 -4.397 1.628 884 1HB ALA 114 1HB ALA 114 5.740 -4.575 -0.125 885 2HB ALA 114 2HB ALA 114 5.084 -5.954 0.757 886 3HB ALA 114 3HB ALA 114 6.511 -5.116 1.365 887 HA PRO 115 HA PRO 115 4.801 -4.348 5.849 888 1HB PRO 115 2HB PRO 115 5.940 -7.085 5.701 889 2HB PRO 115 1HB PRO 115 4.598 -6.476 6.689 890 1HG PRO 115 2HG PRO 115 4.216 -8.060 4.552 891 2HG PRO 115 1HG PRO 115 3.053 -6.822 5.047 892 1HD PRO 115 2HD PRO 115 4.945 -6.824 2.765 893 2HD PRO 115 1HD PRO 115 3.359 -6.038 2.927 894 H LYS 116 H LYS 116 6.682 -4.138 7.251 895 HA LYS 116 HA LYS 116 8.972 -2.987 6.435 896 1HB LYS 116 2HB LYS 116 9.120 -5.317 8.353 897 2HB LYS 116 1HB LYS 116 9.957 -3.769 8.450 898 1HG LYS 116 2HG LYS 116 7.086 -3.374 8.350 899 2HG LYS 116 1HG LYS 116 7.526 -4.439 9.686 900 1HD LYS 116 2HD LYS 116 8.963 -1.831 9.158 901 2HD LYS 116 1HD LYS 116 7.545 -1.933 10.201 902 1HE LYS 116 2HE LYS 116 10.288 -2.623 10.820 903 2HE LYS 116 1HE LYS 116 8.881 -2.608 11.902 904 1HZ LYS 116 1HZ LYS 116 8.267 -4.763 11.238 905 2HZ LYS 116 2HZ LYS 116 9.342 -4.763 9.922 906 H HIS 117 H HIS 117 9.970 -3.542 4.490 907 HA HIS 117 HA HIS 117 11.046 -6.337 4.283 908 1HB HIS 117 2HB HIS 117 9.487 -6.309 2.582 909 2HB HIS 117 1HB HIS 117 9.559 -4.556 2.409 910 HD1 HIS 117 1HD HIS 117 9.773 -5.297 -0.238 911 HD2 HIS 117 2HD HIS 117 13.079 -6.018 2.197 912 HE1 HIS 117 1HE HIS 117 11.745 -5.636 -1.790 913 H HIS 118 H HIS 118 13.256 -6.358 4.210 914 HA HIS 118 HA HIS 118 14.935 -4.106 4.355 915 1HB HIS 118 2HB HIS 118 15.202 -6.797 4.498 916 2HB HIS 118 1HB HIS 118 15.920 -6.514 2.912 917 HD1 HIS 118 1HD HIS 118 18.157 -7.295 4.336 918 HD2 HIS 118 2HD HIS 118 16.608 -3.514 5.164 919 HE1 HIS 118 1HE HIS 118 19.997 -6.009 5.509 920 H HIS 119 H HIS 119 15.514 -2.594 2.846 921 HA HIS 119 HA HIS 119 14.499 -2.625 0.153 922 1HB HIS 119 2HB HIS 119 15.332 -0.736 1.822 923 2HB HIS 119 1HB HIS 119 16.873 -0.999 1.005 924 HD1 HIS 119 1HD HIS 119 16.592 1.415 -0.076 925 HD2 HIS 119 2HD HIS 119 13.722 -1.375 -1.242 926 HE1 HIS 119 1HE HIS 119 15.445 2.378 -2.118 927 H ALA 120 H ALA 120 15.730 -2.837 -1.828 928 HA ALA 120 HA ALA 120 17.652 -4.990 -1.842 929 1HB ALA 120 1HB ALA 120 16.788 -4.962 -3.931 930 2HB ALA 120 2HB ALA 120 17.760 -3.528 -4.263 931 3HB ALA 120 3HB ALA 120 16.111 -3.356 -3.664 932 H SER 121 H SER 121 19.915 -4.862 -2.356 933 HA SER 121 HA SER 121 21.154 -2.208 -1.724 934 1HB SER 121 2HB SER 121 22.822 -3.426 -0.638 935 2HB SER 121 1HB SER 121 21.432 -4.478 -0.387 936 HG SER 121 HG SER 121 23.131 -4.699 -2.640 937 H LYS 122 H LYS 122 22.431 -1.258 -3.285 938 HA LYS 122 HA LYS 122 22.968 -2.839 -5.776 939 1HB LYS 122 2HB LYS 122 21.436 -0.855 -5.882 940 2HB LYS 122 1HB LYS 122 22.773 0.159 -5.339 941 1HG LYS 122 2HG LYS 122 24.055 -0.940 -7.356 942 2HG LYS 122 1HG LYS 122 22.429 -1.275 -7.955 943 1HD LYS 122 2HD LYS 122 22.418 1.408 -7.034 944 2HD LYS 122 1HD LYS 122 23.879 1.210 -8.001 945 1HE LYS 122 2HE LYS 122 22.645 0.522 -9.923 946 2HE LYS 122 1HE LYS 122 21.172 0.250 -8.970 947 1HZ LYS 122 1HZ LYS 122 20.801 2.355 -9.794 948 2HZ LYS 122 2HZ LYS 122 21.532 2.717 -8.304 949 H VAL 123 H VAL 123 25.090 -2.824 -6.606 950 HA VAL 123 HA VAL 123 27.178 -1.688 -4.783 951 HB VAL 123 HB VAL 123 27.669 -3.926 -4.877 952 1HG1 VAL 123 1HG1 VAL 123 26.545 -4.130 -7.680 953 2HG1 VAL 123 2HG1 VAL 123 25.542 -4.283 -6.238 954 3HG1 VAL 123 3HG1 VAL 123 26.838 -5.440 -6.538 955 1HG2 VAL 123 1HG2 VAL 123 29.190 -2.432 -6.651 956 2HG2 VAL 123 2HG2 VAL 123 28.714 -3.828 -7.617 957 3HG2 VAL 123 3HG2 VAL 123 29.577 -4.061 -6.096 958 H ASP 124 H ASP 124 28.809 -0.380 -5.681 959 HA ASP 124 HA ASP 124 28.205 1.083 -8.090 960 1HB ASP 124 2HB ASP 124 29.885 1.253 -5.846 961 2HB ASP 124 1HB ASP 124 30.983 1.175 -7.224 Start of MODEL 4 1 H SER 2 H SER 2 0.133 -5.504 11.598 2 HA SER 2 HA SER 2 0.331 -5.336 9.245 3 1HB SER 2 2HB SER 2 -0.721 -8.088 9.781 4 2HB SER 2 1HB SER 2 -0.726 -7.511 8.117 5 HG SER 2 HG SER 2 1.445 -7.321 8.169 6 H ASN 3 H ASN 3 -2.072 -4.343 10.743 7 HA ASN 3 HA ASN 3 -4.296 -4.723 8.819 8 1HB ASN 3 2HB ASN 3 -4.254 -2.885 11.208 9 2HB ASN 3 1HB ASN 3 -5.608 -3.799 10.542 10 1HD2 ASN 3 1HD2 ASN 3 -5.322 -4.196 13.200 11 2HD2 ASN 3 2HD2 ASN 3 -4.573 -5.679 13.545 12 H GLN 4 H GLN 4 -1.595 -2.774 8.983 13 HA GLN 4 HA GLN 4 -2.577 -0.152 8.431 14 1HB GLN 4 2HB GLN 4 -0.112 -1.658 8.444 15 2HB GLN 4 1HB GLN 4 -0.157 -0.599 7.034 16 1HG GLN 4 2HG GLN 4 -0.284 1.338 8.318 17 2HG GLN 4 1HG GLN 4 -0.983 0.496 9.702 18 1HE2 GLN 4 1HE2 GLN 4 1.115 -1.708 9.421 19 2HE2 GLN 4 2HE2 GLN 4 2.528 -1.035 10.079 20 H ILE 5 H ILE 5 -1.797 0.772 6.079 21 HA ILE 5 HA ILE 5 -3.298 -0.861 4.061 22 HB ILE 5 HB ILE 5 -3.561 1.776 5.018 23 1HG1 ILE 5 2HG1 ILE 5 -4.677 0.219 2.687 24 2HG1 ILE 5 1HG1 ILE 5 -5.468 0.651 4.204 25 1HG2 ILE 5 1HG2 ILE 5 -1.857 2.712 3.701 26 2HG2 ILE 5 2HG2 ILE 5 -3.289 2.936 2.696 27 3HG2 ILE 5 3HG2 ILE 5 -2.169 1.619 2.352 28 1HD1 ILE 5 1HD1 ILE 5 -5.188 2.214 1.722 29 2HD1 ILE 5 2HD1 ILE 5 -4.829 3.120 3.192 30 3HD1 ILE 5 3HD1 ILE 5 -6.397 2.337 3.000 31 H TYR 6 H TYR 6 -1.368 -2.045 3.397 32 HA TYR 6 HA TYR 6 1.130 -0.874 2.694 33 1HB TYR 6 2HB TYR 6 -0.389 -3.328 1.773 34 2HB TYR 6 1HB TYR 6 1.277 -3.005 1.289 35 HD1 TYR 6 1HD TYR 6 -0.528 -2.475 4.532 36 HD2 TYR 6 2HD TYR 6 2.683 -4.453 2.475 37 HE1 TYR 6 1HE TYR 6 0.281 -3.402 6.685 38 HE2 TYR 6 2HE TYR 6 3.491 -5.379 4.628 39 HH TYR 6 HH TYR 6 3.124 -5.553 6.807 40 H SER 7 H SER 7 1.969 -0.664 0.409 41 HA SER 7 HA SER 7 -0.151 0.451 -1.399 42 1HB SER 7 2HB SER 7 2.514 1.351 -0.466 43 2HB SER 7 1HB SER 7 2.179 1.630 -2.172 44 HG SER 7 HG SER 7 1.380 3.372 -1.076 45 H ALA 8 H ALA 8 0.047 -0.029 -3.639 46 HA ALA 8 HA ALA 8 2.250 -1.803 -4.539 47 1HB ALA 8 1HB ALA 8 0.348 -3.336 -5.450 48 2HB ALA 8 2HB ALA 8 -0.669 -2.521 -4.262 49 3HB ALA 8 3HB ALA 8 0.742 -3.438 -3.734 50 H ARG 9 H ARG 9 2.223 -2.016 -6.941 51 HA ARG 9 HA ARG 9 0.430 -0.090 -8.348 52 1HB ARG 9 2HB ARG 9 2.161 1.382 -8.287 53 2HB ARG 9 1HB ARG 9 3.306 0.136 -7.787 54 1HG ARG 9 2HG ARG 9 4.003 -0.238 -9.913 55 2HG ARG 9 1HG ARG 9 2.361 -0.171 -10.556 56 1HD ARG 9 2HD ARG 9 2.741 2.450 -9.873 57 2HD ARG 9 1HD ARG 9 4.382 1.981 -10.355 58 HE ARG 9 HE ARG 9 2.017 1.401 -12.098 59 1HH1 ARG 9 1HH1 ARG 9 5.222 2.523 -11.508 60 1HH2 ARG 9 1HH2 ARG 9 2.459 1.761 -14.286 61 2HH2 ARG 9 2HH2 ARG 9 4.011 2.371 -14.753 62 H TYR 10 H TYR 10 -0.391 -1.131 -10.112 63 HA TYR 10 HA TYR 10 1.358 -2.998 -11.641 64 1HB TYR 10 2HB TYR 10 -1.202 -3.578 -10.175 65 2HB TYR 10 1HB TYR 10 -0.816 -4.491 -11.634 66 HD1 TYR 10 1HD TYR 10 -0.971 -5.451 -8.643 67 HD2 TYR 10 2HD TYR 10 2.258 -4.309 -11.235 68 HE1 TYR 10 1HE TYR 10 0.581 -6.880 -7.340 69 HE2 TYR 10 2HE TYR 10 3.810 -5.737 -9.931 70 HH TYR 10 HH TYR 10 2.635 -7.843 -7.348 71 H SER 11 H SER 11 0.259 -3.594 -13.761 72 HA SER 11 HA SER 11 -0.769 -2.916 -15.775 73 1HB SER 11 2HB SER 11 -2.936 -3.108 -15.165 74 2HB SER 11 1HB SER 11 -2.575 -2.550 -13.534 75 HG SER 11 HG SER 11 -2.606 -0.401 -14.399 76 H GLY 12 H GLY 12 1.330 -1.166 -14.721 77 1HA GLY 12 2HA GLY 12 2.229 0.916 -15.343 78 2HA GLY 12 1HA GLY 12 0.797 1.172 -16.338 79 H VAL 13 H VAL 13 -0.495 0.435 -13.461 80 HA VAL 13 HA VAL 13 -0.430 3.282 -12.506 81 HB VAL 13 HB VAL 13 -2.559 1.536 -13.408 82 1HG1 VAL 13 1HG1 VAL 13 -3.731 1.105 -11.534 83 2HG1 VAL 13 2HG1 VAL 13 -3.637 2.794 -11.037 84 3HG1 VAL 13 3HG1 VAL 13 -2.350 1.672 -10.596 85 1HG2 VAL 13 1HG2 VAL 13 -2.578 4.389 -12.371 86 2HG2 VAL 13 2HG2 VAL 13 -3.818 3.641 -13.378 87 3HG2 VAL 13 3HG2 VAL 13 -2.204 3.922 -14.030 88 H ASP 14 H ASP 14 0.100 3.508 -10.341 89 HA ASP 14 HA ASP 14 0.788 1.126 -8.796 90 1HB ASP 14 2HB ASP 14 2.248 2.802 -8.271 91 2HB ASP 14 1HB ASP 14 1.092 4.065 -8.696 92 H VAL 15 H VAL 15 -0.210 0.484 -6.829 93 HA VAL 15 HA VAL 15 -2.776 1.791 -6.063 94 HB VAL 15 HB VAL 15 -3.606 -0.727 -5.988 95 1HG1 VAL 15 1HG1 VAL 15 -4.601 -0.414 -8.155 96 2HG1 VAL 15 2HG1 VAL 15 -3.291 0.649 -8.668 97 3HG1 VAL 15 3HG1 VAL 15 -4.434 1.189 -7.438 98 1HG2 VAL 15 1HG2 VAL 15 -1.870 -1.014 -8.395 99 2HG2 VAL 15 2HG2 VAL 15 -2.468 -2.249 -7.288 100 3HG2 VAL 15 3HG2 VAL 15 -1.098 -1.240 -6.826 101 H TYR 16 H TYR 16 -3.625 0.459 -4.008 102 HA TYR 16 HA TYR 16 -1.240 -0.106 -2.276 103 1HB TYR 16 2HB TYR 16 -3.814 0.705 -1.056 104 2HB TYR 16 1HB TYR 16 -2.179 1.272 -0.708 105 HD1 TYR 16 1HD TYR 16 -1.685 3.471 -1.270 106 HD2 TYR 16 2HD TYR 16 -4.637 1.344 -3.551 107 HE1 TYR 16 1HE TYR 16 -2.095 5.503 -2.633 108 HE2 TYR 16 2HE TYR 16 -5.048 3.375 -4.914 109 HH TYR 16 HH TYR 16 -3.111 5.779 -5.256 110 H GLU 17 H GLU 17 -1.452 -1.896 -0.817 111 HA GLU 17 HA GLU 17 -3.848 -3.642 -1.288 112 1HB GLU 17 2HB GLU 17 -1.446 -5.098 -0.608 113 2HB GLU 17 1HB GLU 17 -2.428 -5.215 -2.069 114 1HG GLU 17 2HG GLU 17 -1.258 -3.035 -2.807 115 2HG GLU 17 1HG GLU 17 -0.095 -3.380 -1.527 116 H PHE 18 H PHE 18 -4.949 -3.762 0.626 117 HA PHE 18 HA PHE 18 -3.352 -4.013 3.155 118 1HB PHE 18 2HB PHE 18 -6.082 -2.769 3.069 119 2HB PHE 18 1HB PHE 18 -4.744 -2.440 4.170 120 HD1 PHE 18 1HD PHE 18 -6.512 -1.249 1.355 121 HD2 PHE 18 2HD PHE 18 -2.556 -1.478 3.011 122 HE1 PHE 18 1HE PHE 18 -5.807 0.656 -0.069 123 HE2 PHE 18 2HE PHE 18 -1.850 0.426 1.588 124 HZ PHE 18 HZ PHE 18 -3.476 1.493 0.049 125 H ILE 19 H ILE 19 -4.125 -5.583 4.613 126 HA ILE 19 HA ILE 19 -5.912 -7.627 3.523 127 HB ILE 19 HB ILE 19 -4.618 -7.244 6.246 128 1HG1 ILE 19 2HG1 ILE 19 -3.386 -7.612 3.798 129 2HG1 ILE 19 1HG1 ILE 19 -2.692 -8.056 5.357 130 1HG2 ILE 19 1HG2 ILE 19 -6.568 -8.861 6.112 131 2HG2 ILE 19 2HG2 ILE 19 -5.038 -9.589 6.602 132 3HG2 ILE 19 3HG2 ILE 19 -5.623 -9.793 4.951 133 1HD1 ILE 19 1HD1 ILE 19 -3.338 -9.791 3.226 134 2HD1 ILE 19 2HD1 ILE 19 -4.539 -10.098 4.481 135 3HD1 ILE 19 3HD1 ILE 19 -2.821 -10.245 4.850 136 H HIS 20 H HIS 20 -8.070 -7.923 4.051 137 HA HIS 20 HA HIS 20 -9.230 -6.440 6.349 138 1HB HIS 20 2HB HIS 20 -9.295 -4.878 4.459 139 2HB HIS 20 1HB HIS 20 -10.053 -6.106 3.444 140 HD1 HIS 20 1HD HIS 20 -12.542 -6.032 3.389 141 HD2 HIS 20 2HD HIS 20 -11.041 -4.308 6.875 142 HE1 HIS 20 1HE HIS 20 -14.538 -5.141 4.664 143 H SER 21 H SER 21 -11.910 -6.916 4.937 144 HA SER 21 HA SER 21 -12.519 -9.474 6.109 145 1HB SER 21 2HB SER 21 -14.012 -7.947 3.954 146 2HB SER 21 1HB SER 21 -14.697 -9.074 5.120 147 HG SER 21 HG SER 21 -14.283 -7.631 6.742 148 H THR 22 H THR 22 -11.698 -8.413 2.832 149 HA THR 22 HA THR 22 -11.993 -11.183 1.786 150 HB THR 22 HB THR 22 -12.917 -9.430 0.423 151 HG1 THR 22 1HG THR 22 -11.525 -11.004 -0.628 152 1HG2 THR 22 1HG2 THR 22 -10.964 -7.855 1.634 153 2HG2 THR 22 2HG2 THR 22 -12.101 -7.329 0.392 154 3HG2 THR 22 3HG2 THR 22 -10.492 -7.888 -0.065 155 H GLY 23 H GLY 23 -9.765 -9.789 3.599 156 1HA GLY 23 2HA GLY 23 -7.541 -10.639 3.937 157 2HA GLY 23 1HA GLY 23 -7.533 -11.211 2.266 158 H SER 24 H SER 24 -6.229 -10.042 0.958 159 HA SER 24 HA SER 24 -5.205 -7.426 1.777 160 1HB SER 24 2HB SER 24 -4.096 -9.422 0.491 161 2HB SER 24 1HB SER 24 -4.865 -8.711 -0.925 162 HG SER 24 HG SER 24 -3.830 -6.711 -0.276 163 H ILE 25 H ILE 25 -5.897 -5.447 1.027 164 HA ILE 25 HA ILE 25 -8.095 -5.441 -1.017 165 HB ILE 25 HB ILE 25 -7.481 -3.391 1.131 166 1HG1 ILE 25 2HG1 ILE 25 -8.155 -4.958 2.619 167 2HG1 ILE 25 1HG1 ILE 25 -9.757 -4.807 1.894 168 1HG2 ILE 25 1HG2 ILE 25 -8.911 -2.454 -0.514 169 2HG2 ILE 25 2HG2 ILE 25 -10.003 -2.998 0.759 170 3HG2 ILE 25 3HG2 ILE 25 -9.810 -3.959 -0.707 171 1HD1 ILE 25 1HD1 ILE 25 -8.584 -6.476 0.105 172 2HD1 ILE 25 2HD1 ILE 25 -9.492 -7.044 1.507 173 3HD1 ILE 25 3HD1 ILE 25 -7.732 -6.950 1.575 174 H MET 26 H MET 26 -7.558 -4.435 -2.920 175 HA MET 26 HA MET 26 -5.269 -2.495 -2.874 176 1HB MET 26 2HB MET 26 -5.775 -4.935 -4.330 177 2HB MET 26 1HB MET 26 -5.622 -3.591 -5.461 178 1HG MET 26 2HG MET 26 -3.569 -3.021 -3.791 179 2HG MET 26 1HG MET 26 -3.593 -4.779 -3.650 180 1HE MET 26 1HE MET 26 -4.794 -5.706 -6.174 181 2HE MET 26 2HE MET 26 -3.270 -6.462 -5.718 182 3HE MET 26 3HE MET 26 -3.507 -5.902 -7.371 183 H LYS 27 H LYS 27 -5.849 -0.461 -3.484 184 HA LYS 27 HA LYS 27 -8.420 -0.089 -4.970 185 1HB LYS 27 2HB LYS 27 -8.325 2.170 -3.979 186 2HB LYS 27 1HB LYS 27 -8.152 0.940 -2.727 187 1HG LYS 27 2HG LYS 27 -5.756 1.241 -2.664 188 2HG LYS 27 1HG LYS 27 -5.806 2.308 -4.067 189 1HD LYS 27 2HD LYS 27 -7.113 3.953 -2.801 190 2HD LYS 27 1HD LYS 27 -7.136 2.878 -1.402 191 1HE LYS 27 2HE LYS 27 -4.568 2.946 -1.492 192 2HE LYS 27 1HE LYS 27 -4.759 4.318 -2.603 193 1HZ LYS 27 1HZ LYS 27 -6.164 5.411 -0.985 194 2HZ LYS 27 2HZ LYS 27 -6.023 4.095 0.080 195 H ARG 28 H ARG 28 -8.370 1.840 -6.515 196 HA ARG 28 HA ARG 28 -6.005 1.612 -8.268 197 1HB ARG 28 2HB ARG 28 -8.620 1.690 -8.764 198 2HB ARG 28 1HB ARG 28 -8.333 3.431 -8.764 199 1HG ARG 28 2HG ARG 28 -6.632 3.204 -10.485 200 2HG ARG 28 1HG ARG 28 -6.748 1.445 -10.418 201 1HD ARG 28 2HD ARG 28 -9.384 2.236 -10.847 202 2HD ARG 28 1HD ARG 28 -8.440 3.344 -11.864 203 HE ARG 28 HE ARG 28 -8.250 0.362 -11.998 204 1HH1 ARG 28 1HH1 ARG 28 -7.759 3.544 -13.233 205 1HH2 ARG 28 1HH2 ARG 28 -7.562 -0.366 -14.024 206 2HH2 ARG 28 2HH2 ARG 28 -7.118 0.788 -15.238 207 H LYS 29 H LYS 29 -4.420 3.170 -8.385 208 HA LYS 29 HA LYS 29 -4.235 5.302 -6.487 209 1HB LYS 29 2HB LYS 29 -2.276 4.331 -7.462 210 2HB LYS 29 1HB LYS 29 -2.855 4.647 -9.097 211 1HG LYS 29 2HG LYS 29 -2.033 6.719 -7.043 212 2HG LYS 29 1HG LYS 29 -1.171 6.311 -8.526 213 1HD LYS 29 2HD LYS 29 -3.521 6.888 -9.636 214 2HD LYS 29 1HD LYS 29 -3.708 7.855 -8.172 215 1HE LYS 29 2HE LYS 29 -1.289 8.716 -8.750 216 2HE LYS 29 1HE LYS 29 -1.691 8.155 -10.385 217 1HZ LYS 29 1HZ LYS 29 -3.867 9.352 -10.078 218 2HZ LYS 29 2HZ LYS 29 -2.505 10.353 -10.240 219 H LYS 30 H LYS 30 -5.369 5.199 -9.849 220 HA LYS 30 HA LYS 30 -5.534 8.002 -10.341 221 1HB LYS 30 2HB LYS 30 -6.871 5.501 -11.333 222 2HB LYS 30 1HB LYS 30 -7.477 7.065 -11.877 223 1HG LYS 30 2HG LYS 30 -4.604 7.074 -12.011 224 2HG LYS 30 1HG LYS 30 -5.219 5.651 -12.854 225 1HD LYS 30 2HD LYS 30 -5.082 8.182 -13.936 226 2HD LYS 30 1HD LYS 30 -6.135 6.893 -14.518 227 1HE LYS 30 2HE LYS 30 -7.949 7.686 -13.044 228 2HE LYS 30 1HE LYS 30 -6.894 8.978 -12.440 229 1HZ LYS 30 1HZ LYS 30 -7.935 8.583 -15.179 230 2HZ LYS 30 2HZ LYS 30 -8.027 9.970 -14.202 231 H ASP 31 H ASP 31 -8.153 5.769 -9.316 232 HA ASP 31 HA ASP 31 -9.570 8.143 -8.147 233 1HB ASP 31 2HB ASP 31 -11.179 7.416 -9.571 234 2HB ASP 31 1HB ASP 31 -10.323 5.902 -9.871 235 H ASP 32 H ASP 32 -7.656 5.691 -7.181 236 HA ASP 32 HA ASP 32 -7.528 4.329 -5.238 237 1HB ASP 32 2HB ASP 32 -9.018 6.614 -3.959 238 2HB ASP 32 1HB ASP 32 -7.617 5.730 -3.351 239 H TRP 33 H TRP 33 -9.425 3.059 -6.447 240 HA TRP 33 HA TRP 33 -12.050 3.285 -5.124 241 1HB TRP 33 2HB TRP 33 -11.190 1.059 -6.949 242 2HB TRP 33 1HB TRP 33 -12.747 1.883 -6.861 243 HD1 TRP 33 HD TRP 33 -9.087 2.812 -7.743 244 HE1 TRP 33 1HE TRP 33 -9.140 4.484 -9.704 245 HE3 TRP 33 3HE TRP 33 -14.135 3.305 -8.346 246 HZ2 TRP 33 2HZ TRP 33 -11.069 5.851 -11.315 247 HZ3 TRP 33 3HZ TRP 33 -15.051 4.797 -10.101 248 HH2 TRP 33 HH TRP 33 -13.526 6.069 -11.584 249 H VAL 34 H VAL 34 -13.003 1.413 -3.990 250 HA VAL 34 HA VAL 34 -10.924 -0.279 -2.637 251 HB VAL 34 HB VAL 34 -12.872 1.547 -1.674 252 1HG1 VAL 34 1HG1 VAL 34 -13.907 -1.127 -1.782 253 2HG1 VAL 34 2HG1 VAL 34 -14.663 0.313 -1.100 254 3HG1 VAL 34 3HG1 VAL 34 -13.626 -0.698 -0.095 255 1HG2 VAL 34 1HG2 VAL 34 -10.755 -0.241 -0.639 256 2HG2 VAL 34 2HG2 VAL 34 -11.989 0.204 0.540 257 3HG2 VAL 34 3HG2 VAL 34 -11.064 1.459 -0.286 258 H ASN 35 H ASN 35 -11.391 -2.507 -2.418 259 HA ASN 35 HA ASN 35 -13.069 -3.735 -4.395 260 1HB ASN 35 2HB ASN 35 -11.193 -4.933 -3.591 261 2HB ASN 35 1HB ASN 35 -11.614 -4.627 -1.905 262 1HD2 ASN 35 1HD2 ASN 35 -11.170 -7.283 -2.651 263 2HD2 ASN 35 2HD2 ASN 35 -12.642 -8.128 -2.687 264 H ALA 36 H ALA 36 -15.264 -3.147 -4.207 265 HA ALA 36 HA ALA 36 -16.918 -2.627 -2.115 266 1HB ALA 36 1HB ALA 36 -17.174 -4.235 -4.617 267 2HB ALA 36 2HB ALA 36 -18.018 -2.762 -4.142 268 3HB ALA 36 3HB ALA 36 -18.515 -4.317 -3.475 269 H THR 37 H THR 37 -15.366 -5.735 -2.702 270 HA THR 37 HA THR 37 -16.976 -7.400 -1.041 271 HB THR 37 HB THR 37 -13.970 -7.498 -1.445 272 HG1 THR 37 1HG THR 37 -16.102 -8.380 -3.092 273 1HG2 THR 37 1HG2 THR 37 -16.042 -9.673 -1.036 274 2HG2 THR 37 2HG2 THR 37 -14.918 -9.095 0.193 275 3HG2 THR 37 3HG2 THR 37 -14.308 -9.921 -1.241 276 H HIS 38 H HIS 38 -14.050 -5.495 -0.251 277 HA HIS 38 HA HIS 38 -13.958 -6.142 2.536 278 1HB HIS 38 2HB HIS 38 -12.059 -4.982 2.089 279 2HB HIS 38 1HB HIS 38 -12.763 -4.297 0.625 280 HD1 HIS 38 1HD HIS 38 -11.039 -2.619 2.673 281 HD2 HIS 38 2HD HIS 38 -15.205 -2.723 2.565 282 HE1 HIS 38 1HE HIS 38 -11.837 -0.486 3.781 283 H ILE 39 H ILE 39 -15.856 -3.878 0.657 284 HA ILE 39 HA ILE 39 -16.960 -2.525 3.047 285 HB ILE 39 HB ILE 39 -16.953 -2.237 0.077 286 1HG1 ILE 39 2HG1 ILE 39 -17.072 0.241 1.392 287 2HG1 ILE 39 1HG1 ILE 39 -16.108 -0.791 2.449 288 1HG2 ILE 39 1HG2 ILE 39 -19.368 -1.998 1.601 289 2HG2 ILE 39 2HG2 ILE 39 -19.113 -1.656 -0.111 290 3HG2 ILE 39 3HG2 ILE 39 -18.863 -0.388 1.089 291 1HD1 ILE 39 1HD1 ILE 39 -14.592 -1.337 0.652 292 2HD1 ILE 39 2HD1 ILE 39 -14.766 0.418 0.686 293 3HD1 ILE 39 3HD1 ILE 39 -15.624 -0.530 -0.529 294 H LEU 40 H LEU 40 -18.219 -4.391 0.262 295 HA LEU 40 HA LEU 40 -20.763 -4.892 1.692 296 1HB LEU 40 2HB LEU 40 -19.727 -4.834 -1.032 297 2HB LEU 40 1HB LEU 40 -20.687 -6.285 -0.741 298 HG LEU 40 HG LEU 40 -22.092 -4.399 -1.533 299 1HD1 LEU 40 1HD1 LEU 40 -23.808 -5.060 -0.193 300 2HD1 LEU 40 2HD1 LEU 40 -22.959 -4.594 1.281 301 3HD1 LEU 40 3HD1 LEU 40 -22.612 -6.145 0.516 302 1HD2 LEU 40 1HD2 LEU 40 -21.627 -2.327 -0.778 303 2HD2 LEU 40 2HD2 LEU 40 -20.503 -2.982 0.414 304 3HD2 LEU 40 3HD2 LEU 40 -22.213 -2.812 0.813 305 H LYS 41 H LYS 41 -18.110 -6.810 0.222 306 HA LYS 41 HA LYS 41 -19.063 -9.366 1.134 307 1HB LYS 41 2HB LYS 41 -17.309 -8.675 -0.663 308 2HB LYS 41 1HB LYS 41 -16.172 -8.617 0.686 309 1HG LYS 41 2HG LYS 41 -17.735 -11.036 0.841 310 2HG LYS 41 1HG LYS 41 -16.999 -10.905 -0.757 311 1HD LYS 41 2HD LYS 41 -14.797 -10.634 0.207 312 2HD LYS 41 1HD LYS 41 -15.472 -10.534 1.834 313 1HE LYS 41 2HE LYS 41 -16.445 -12.888 1.387 314 2HE LYS 41 1HE LYS 41 -15.312 -12.950 0.022 315 1HZ LYS 41 1HZ LYS 41 -14.767 -12.939 2.873 316 2HZ LYS 41 2HZ LYS 41 -13.855 -13.591 1.597 317 H ALA 42 H ALA 42 -17.260 -6.799 2.660 318 HA ALA 42 HA ALA 42 -16.194 -8.405 4.851 319 1HB ALA 42 1HB ALA 42 -16.595 -5.433 4.385 320 2HB ALA 42 2HB ALA 42 -15.114 -6.352 4.120 321 3HB ALA 42 3HB ALA 42 -15.713 -6.099 5.759 322 H ALA 43 H ALA 43 -19.204 -6.806 4.152 323 HA ALA 43 HA ALA 43 -20.080 -7.103 7.000 324 1HB ALA 43 1HB ALA 43 -21.385 -5.586 4.725 325 2HB ALA 43 2HB ALA 43 -20.158 -4.877 5.774 326 3HB ALA 43 3HB ALA 43 -21.699 -5.403 6.451 327 H ASN 44 H ASN 44 -20.202 -8.775 4.114 328 HA ASN 44 HA ASN 44 -22.662 -10.212 4.982 329 1HB ASN 44 2HB ASN 44 -22.338 -9.568 2.092 330 2HB ASN 44 1HB ASN 44 -23.815 -9.761 3.032 331 1HD2 ASN 44 1HD2 ASN 44 -20.935 -7.569 3.141 332 2HD2 ASN 44 2HD2 ASN 44 -21.846 -6.154 3.359 333 H PHE 45 H PHE 45 -19.511 -10.491 4.340 334 HA PHE 45 HA PHE 45 -18.142 -12.324 3.734 335 1HB PHE 45 2HB PHE 45 -20.370 -13.267 5.004 336 2HB PHE 45 1HB PHE 45 -20.479 -14.124 3.466 337 HD1 PHE 45 1HD PHE 45 -18.478 -13.620 6.517 338 HD2 PHE 45 2HD PHE 45 -18.760 -15.717 2.778 339 HE1 PHE 45 1HE PHE 45 -16.704 -15.186 7.260 340 HE2 PHE 45 2HE PHE 45 -16.987 -17.282 3.521 341 HZ PHE 45 HZ PHE 45 -15.958 -17.017 5.762 342 H ALA 46 H ALA 46 -17.625 -13.670 1.832 343 HA ALA 46 HA ALA 46 -18.816 -12.574 -0.638 344 1HB ALA 46 1HB ALA 46 -16.398 -14.105 0.216 345 2HB ALA 46 2HB ALA 46 -16.517 -12.693 -0.835 346 3HB ALA 46 3HB ALA 46 -16.916 -14.293 -1.460 347 H LYS 47 H LYS 47 -20.800 -13.541 -0.969 348 HA LYS 47 HA LYS 47 -20.784 -16.448 -1.603 349 1HB LYS 47 2HB LYS 47 -21.513 -16.292 0.721 350 2HB LYS 47 1HB LYS 47 -22.650 -15.006 0.312 351 1HG LYS 47 2HG LYS 47 -24.173 -16.454 -0.593 352 2HG LYS 47 1HG LYS 47 -22.927 -17.526 -1.232 353 1HD LYS 47 2HD LYS 47 -22.979 -17.442 1.699 354 2HD LYS 47 1HD LYS 47 -24.479 -18.045 0.996 355 1HE LYS 47 2HE LYS 47 -23.387 -19.836 -0.103 356 2HE LYS 47 1HE LYS 47 -21.791 -19.077 0.066 357 1HZ LYS 47 1HZ LYS 47 -21.590 -19.780 2.167 358 2HZ LYS 47 2HZ LYS 47 -23.200 -19.404 2.556 359 H ALA 48 H ALA 48 -23.487 -16.696 -2.260 360 HA ALA 48 HA ALA 48 -23.714 -15.477 -4.794 361 1HB ALA 48 1HB ALA 48 -26.086 -16.110 -4.595 362 2HB ALA 48 2HB ALA 48 -25.930 -16.210 -2.842 363 3HB ALA 48 3HB ALA 48 -25.083 -17.366 -3.871 364 H LYS 49 H LYS 49 -24.273 -14.224 -1.606 365 HA LYS 49 HA LYS 49 -25.874 -11.920 -2.311 366 1HB LYS 49 2HB LYS 49 -24.620 -13.146 -0.024 367 2HB LYS 49 1HB LYS 49 -24.229 -11.426 -0.038 368 1HG LYS 49 2HG LYS 49 -26.266 -11.179 0.945 369 2HG LYS 49 1HG LYS 49 -26.888 -11.378 -0.694 370 1HD LYS 49 2HD LYS 49 -26.333 -13.780 1.037 371 2HD LYS 49 1HD LYS 49 -27.856 -12.902 1.179 372 1HE LYS 49 2HE LYS 49 -28.178 -13.188 -1.308 373 2HE LYS 49 1HE LYS 49 -26.753 -14.246 -1.310 374 1HZ LYS 49 1HZ LYS 49 -29.357 -14.915 -0.567 375 2HZ LYS 49 2HZ LYS 49 -27.967 -15.887 -0.471 376 H ARG 50 H ARG 50 -22.368 -12.348 -1.642 377 HA ARG 50 HA ARG 50 -21.569 -9.687 -2.303 378 1HB ARG 50 2HB ARG 50 -20.415 -12.320 -1.769 379 2HB ARG 50 1HB ARG 50 -19.463 -11.407 -2.939 380 1HG ARG 50 2HG ARG 50 -20.276 -10.528 -0.157 381 2HG ARG 50 1HG ARG 50 -18.641 -10.835 -0.745 382 1HD ARG 50 2HD ARG 50 -18.476 -8.722 -1.547 383 2HD ARG 50 1HD ARG 50 -20.002 -8.893 -2.437 384 HE ARG 50 HE ARG 50 -19.854 -7.365 -0.146 385 1HH1 ARG 50 1HH1 ARG 50 -21.345 -10.352 -1.011 386 1HH2 ARG 50 1HH2 ARG 50 -21.572 -7.103 1.298 387 2HH2 ARG 50 2HH2 ARG 50 -22.796 -8.325 1.399 388 H THR 51 H THR 51 -22.315 -12.484 -4.298 389 HA THR 51 HA THR 51 -21.000 -11.643 -6.711 390 HB THR 51 HB THR 51 -23.483 -13.320 -6.206 391 HG1 THR 51 1HG THR 51 -21.364 -14.731 -6.880 392 1HG2 THR 51 1HG2 THR 51 -21.676 -13.619 -8.580 393 2HG2 THR 51 2HG2 THR 51 -22.921 -12.369 -8.599 394 3HG2 THR 51 3HG2 THR 51 -23.374 -14.063 -8.407 395 H ARG 52 H ARG 52 -24.191 -10.976 -5.312 396 HA ARG 52 HA ARG 52 -24.929 -9.297 -7.657 397 1HB ARG 52 2HB ARG 52 -26.242 -10.781 -5.507 398 2HB ARG 52 1HB ARG 52 -26.913 -9.161 -5.694 399 1HG ARG 52 2HG ARG 52 -27.031 -11.475 -7.532 400 2HG ARG 52 1HG ARG 52 -28.158 -10.132 -7.338 401 1HD ARG 52 2HD ARG 52 -27.229 -9.756 -9.487 402 2HD ARG 52 1HD ARG 52 -26.255 -8.702 -8.443 403 HE ARG 52 HE ARG 52 -24.738 -10.858 -8.272 404 1HH1 ARG 52 1HH1 ARG 52 -26.561 -9.750 -10.980 405 1HH2 ARG 52 1HH2 ARG 52 -23.345 -11.792 -9.787 406 2HH2 ARG 52 2HH2 ARG 52 -23.680 -11.615 -11.477 407 H ILE 53 H ILE 53 -25.029 -8.906 -4.098 408 HA ILE 53 HA ILE 53 -25.306 -6.152 -3.901 409 HB ILE 53 HB ILE 53 -23.772 -8.220 -2.339 410 1HG1 ILE 53 2HG1 ILE 53 -25.817 -6.686 -0.965 411 2HG1 ILE 53 1HG1 ILE 53 -26.448 -7.352 -2.472 412 1HG2 ILE 53 1HG2 ILE 53 -22.581 -6.023 -2.125 413 2HG2 ILE 53 2HG2 ILE 53 -23.290 -6.581 -0.610 414 3HG2 ILE 53 3HG2 ILE 53 -24.085 -5.312 -1.540 415 1HD1 ILE 53 1HD1 ILE 53 -26.556 -9.400 -1.551 416 2HD1 ILE 53 2HD1 ILE 53 -26.003 -8.720 -0.021 417 3HD1 ILE 53 3HD1 ILE 53 -24.832 -9.346 -1.181 418 H LEU 54 H LEU 54 -22.246 -7.938 -4.411 419 HA LEU 54 HA LEU 54 -20.566 -5.580 -4.488 420 1HB LEU 54 2HB LEU 54 -20.386 -8.462 -5.348 421 2HB LEU 54 1HB LEU 54 -19.099 -7.338 -5.779 422 HG LEU 54 HG LEU 54 -20.099 -7.587 -2.941 423 1HD1 LEU 54 1HD1 LEU 54 -19.345 -9.773 -3.252 424 2HD1 LEU 54 2HD1 LEU 54 -17.857 -8.964 -2.760 425 3HD1 LEU 54 3HD1 LEU 54 -18.157 -9.297 -4.466 426 1HD2 LEU 54 1HD2 LEU 54 -17.448 -6.938 -2.879 427 2HD2 LEU 54 2HD2 LEU 54 -18.749 -5.746 -2.893 428 3HD2 LEU 54 3HD2 LEU 54 -17.936 -6.182 -4.396 429 H GLU 55 H GLU 55 -21.682 -7.741 -7.100 430 HA GLU 55 HA GLU 55 -20.919 -6.000 -9.256 431 1HB GLU 55 2HB GLU 55 -21.509 -7.861 -10.404 432 2HB GLU 55 1HB GLU 55 -21.944 -8.583 -8.855 433 1HG GLU 55 2HG GLU 55 -24.104 -8.603 -9.482 434 2HG GLU 55 1HG GLU 55 -24.071 -6.845 -9.613 435 H LYS 56 H LYS 56 -24.124 -6.645 -7.777 436 HA LYS 56 HA LYS 56 -25.518 -4.663 -9.349 437 1HB LYS 56 2HB LYS 56 -27.188 -5.850 -8.399 438 2HB LYS 56 1HB LYS 56 -26.024 -6.650 -7.343 439 1HG LYS 56 2HG LYS 56 -26.505 -3.931 -6.458 440 2HG LYS 56 1HG LYS 56 -28.019 -4.830 -6.565 441 1HD LYS 56 2HD LYS 56 -26.250 -6.654 -5.427 442 2HD LYS 56 1HD LYS 56 -25.826 -5.123 -4.659 443 1HE LYS 56 2HE LYS 56 -28.468 -4.882 -4.438 444 2HE LYS 56 1HE LYS 56 -28.398 -6.654 -4.527 445 1HZ LYS 56 1HZ LYS 56 -27.225 -4.847 -2.535 446 2HZ LYS 56 2HZ LYS 56 -27.982 -6.352 -2.313 447 H GLU 57 H GLU 57 -23.881 -4.607 -6.206 448 HA GLU 57 HA GLU 57 -24.723 -1.812 -5.706 449 1HB GLU 57 2HB GLU 57 -24.274 -3.973 -4.119 450 2HB GLU 57 1HB GLU 57 -22.697 -3.188 -4.021 451 1HG GLU 57 2HG GLU 57 -23.506 -1.439 -2.815 452 2HG GLU 57 1HG GLU 57 -24.985 -1.344 -3.772 453 H VAL 58 H VAL 58 -21.764 -3.667 -6.422 454 HA VAL 58 HA VAL 58 -20.203 -1.144 -6.623 455 HB VAL 58 HB VAL 58 -19.008 -3.800 -7.177 456 1HG1 VAL 58 1HG1 VAL 58 -17.206 -2.918 -5.905 457 2HG1 VAL 58 2HG1 VAL 58 -18.243 -1.732 -5.114 458 3HG1 VAL 58 3HG1 VAL 58 -17.828 -1.543 -6.817 459 1HG2 VAL 58 1HG2 VAL 58 -20.908 -3.840 -5.255 460 2HG2 VAL 58 2HG2 VAL 58 -19.546 -3.246 -4.306 461 3HG2 VAL 58 3HG2 VAL 58 -19.426 -4.790 -5.147 462 H LEU 59 H LEU 59 -20.930 -4.047 -8.603 463 HA LEU 59 HA LEU 59 -19.687 -3.633 -10.977 464 1HB LEU 59 2HB LEU 59 -21.660 -5.193 -10.279 465 2HB LEU 59 1HB LEU 59 -22.689 -3.929 -10.955 466 HG LEU 59 HG LEU 59 -21.005 -5.892 -12.333 467 1HD1 LEU 59 1HD1 LEU 59 -23.445 -5.603 -12.663 468 2HD1 LEU 59 2HD1 LEU 59 -22.556 -5.358 -14.166 469 3HD1 LEU 59 3HD1 LEU 59 -23.161 -3.969 -13.264 470 1HD2 LEU 59 1HD2 LEU 59 -20.762 -2.939 -12.946 471 2HD2 LEU 59 2HD2 LEU 59 -20.461 -4.177 -14.166 472 3HD2 LEU 59 3HD2 LEU 59 -19.463 -4.111 -12.714 473 H LYS 60 H LYS 60 -22.567 -1.777 -9.949 474 HA LYS 60 HA LYS 60 -22.262 0.068 -12.245 475 1HB LYS 60 2HB LYS 60 -24.370 -0.961 -10.772 476 2HB LYS 60 1HB LYS 60 -24.218 0.677 -10.136 477 1HG LYS 60 2HG LYS 60 -25.660 0.147 -12.330 478 2HG LYS 60 1HG LYS 60 -24.771 1.659 -12.145 479 1HD LYS 60 2HD LYS 60 -23.121 1.035 -13.635 480 2HD LYS 60 1HD LYS 60 -23.311 -0.684 -13.289 481 1HE LYS 60 2HE LYS 60 -25.338 -0.806 -14.596 482 2HE LYS 60 1HE LYS 60 -25.387 0.960 -14.777 483 1HZ LYS 60 1HZ LYS 60 -23.897 -0.930 -16.276 484 2HZ LYS 60 2HZ LYS 60 -24.076 0.738 -16.541 485 H GLU 61 H GLU 61 -21.682 -0.064 -8.782 486 HA GLU 61 HA GLU 61 -21.040 2.835 -8.665 487 1HB GLU 61 2HB GLU 61 -20.757 0.843 -6.427 488 2HB GLU 61 1HB GLU 61 -21.234 2.539 -6.345 489 1HG GLU 61 2HG GLU 61 -22.918 0.432 -7.715 490 2HG GLU 61 1HG GLU 61 -23.120 0.859 -6.016 491 H THR 62 H THR 62 -19.228 1.709 -10.343 492 HA THR 62 HA THR 62 -16.872 1.647 -10.621 493 HB THR 62 HB THR 62 -15.848 1.903 -8.050 494 HG1 THR 62 1HG THR 62 -17.533 3.795 -7.625 495 1HG2 THR 62 1HG2 THR 62 -15.593 3.250 -10.299 496 2HG2 THR 62 2HG2 THR 62 -15.245 4.035 -8.759 497 3HG2 THR 62 3HG2 THR 62 -16.790 4.315 -9.563 498 H HIS 63 H HIS 63 -18.218 -0.781 -10.472 499 HA HIS 63 HA HIS 63 -16.546 -2.474 -8.652 500 1HB HIS 63 2HB HIS 63 -18.789 -2.915 -8.189 501 2HB HIS 63 1HB HIS 63 -19.291 -2.631 -9.855 502 HD1 HIS 63 1HD HIS 63 -17.747 -4.512 -11.505 503 HD2 HIS 63 2HD HIS 63 -19.074 -5.614 -7.710 504 HE1 HIS 63 1HE HIS 63 -17.773 -7.044 -11.463 505 H GLU 64 H GLU 64 -14.974 -3.698 -9.635 506 HA GLU 64 HA GLU 64 -15.368 -4.550 -12.470 507 1HB GLU 64 2HB GLU 64 -13.429 -2.626 -11.333 508 2HB GLU 64 1HB GLU 64 -12.731 -3.825 -12.421 509 1HG GLU 64 2HG GLU 64 -14.701 -1.659 -12.999 510 2HG GLU 64 1HG GLU 64 -13.370 -2.260 -13.988 511 H LYS 65 H LYS 65 -14.060 -6.408 -13.032 512 HA LYS 65 HA LYS 65 -13.247 -8.032 -10.680 513 1HB LYS 65 2HB LYS 65 -14.803 -8.842 -12.493 514 2HB LYS 65 1HB LYS 65 -13.456 -8.732 -13.627 515 1HG LYS 65 2HG LYS 65 -12.342 -10.528 -12.695 516 2HG LYS 65 1HG LYS 65 -13.023 -10.254 -11.091 517 1HD LYS 65 2HD LYS 65 -15.295 -10.859 -12.320 518 2HD LYS 65 1HD LYS 65 -14.211 -11.689 -13.435 519 1HE LYS 65 2HE LYS 65 -13.445 -12.236 -10.686 520 2HE LYS 65 1HE LYS 65 -15.136 -12.689 -10.978 521 1HZ LYS 65 1HZ LYS 65 -14.561 -14.224 -12.499 522 2HZ LYS 65 2HZ LYS 65 -13.295 -13.287 -13.135 523 H VAL 66 H VAL 66 -11.095 -8.070 -10.132 524 HA VAL 66 HA VAL 66 -9.080 -7.037 -12.030 525 HB VAL 66 HB VAL 66 -7.688 -7.664 -9.838 526 1HG1 VAL 66 1HG1 VAL 66 -9.269 -5.389 -10.711 527 2HG1 VAL 66 2HG1 VAL 66 -7.698 -5.411 -9.909 528 3HG1 VAL 66 3HG1 VAL 66 -9.178 -5.457 -8.951 529 1HG2 VAL 66 1HG2 VAL 66 -8.903 -8.304 -8.040 530 2HG2 VAL 66 2HG2 VAL 66 -10.220 -8.622 -9.168 531 3HG2 VAL 66 3HG2 VAL 66 -10.125 -7.067 -8.339 532 H GLN 67 H GLN 67 -7.825 -8.369 -13.267 533 HA GLN 67 HA GLN 67 -7.335 -11.169 -12.358 534 1HB GLN 67 2HB GLN 67 -8.621 -10.198 -14.915 535 2HB GLN 67 1HB GLN 67 -7.842 -11.779 -14.826 536 1HG GLN 67 2HG GLN 67 -9.546 -12.665 -13.631 537 2HG GLN 67 1HG GLN 67 -9.624 -11.267 -12.559 538 1HE2 GLN 67 1HE2 GLN 67 -10.877 -9.352 -13.363 539 2HE2 GLN 67 2HE2 GLN 67 -12.112 -9.584 -14.503 540 H GLY 68 H GLY 68 -5.451 -12.126 -13.454 541 1HA GLY 68 2HA GLY 68 -3.448 -12.030 -14.747 542 2HA GLY 68 1HA GLY 68 -3.821 -10.355 -15.155 543 H GLY 69 H GLY 69 -4.343 -10.371 -11.969 544 1HA GLY 69 2HA GLY 69 -2.825 -10.267 -10.067 545 2HA GLY 69 1HA GLY 69 -1.480 -10.090 -11.195 546 H PHE 70 H PHE 70 -4.075 -8.208 -12.211 547 HA PHE 70 HA PHE 70 -2.745 -5.758 -11.139 548 1HB PHE 70 2HB PHE 70 -3.321 -4.821 -13.153 549 2HB PHE 70 1HB PHE 70 -3.441 -6.506 -13.659 550 HD1 PHE 70 1HD PHE 70 -5.393 -3.607 -12.384 551 HD2 PHE 70 2HD PHE 70 -5.542 -7.494 -14.206 552 HE1 PHE 70 1HE PHE 70 -7.813 -3.302 -12.836 553 HE2 PHE 70 2HE PHE 70 -7.962 -7.189 -14.657 554 HZ PHE 70 HZ PHE 70 -9.097 -5.094 -13.972 555 H GLY 71 H GLY 71 -3.877 -6.177 -9.000 556 1HA GLY 71 2HA GLY 71 -5.510 -5.133 -7.588 557 2HA GLY 71 1HA GLY 71 -6.503 -4.817 -9.012 558 H LYS 72 H LYS 72 -5.153 -7.996 -8.581 559 HA LYS 72 HA LYS 72 -7.782 -9.220 -8.612 560 1HB LYS 72 2HB LYS 72 -6.175 -10.573 -9.572 561 2HB LYS 72 1HB LYS 72 -4.913 -10.026 -8.465 562 1HG LYS 72 2HG LYS 72 -7.216 -11.826 -7.660 563 2HG LYS 72 1HG LYS 72 -5.602 -12.406 -8.077 564 1HD LYS 72 2HD LYS 72 -5.232 -10.315 -6.207 565 2HD LYS 72 1HD LYS 72 -6.534 -11.324 -5.572 566 1HE LYS 72 2HE LYS 72 -5.088 -13.343 -5.938 567 2HE LYS 72 1HE LYS 72 -3.765 -12.256 -6.408 568 1HZ LYS 72 1HZ LYS 72 -5.281 -11.997 -3.869 569 2HZ LYS 72 2HZ LYS 72 -3.866 -11.169 -4.314 570 H TYR 73 H TYR 73 -5.902 -7.821 -6.162 571 HA TYR 73 HA TYR 73 -6.811 -9.561 -3.973 572 1HB TYR 73 2HB TYR 73 -5.005 -7.282 -4.449 573 2HB TYR 73 1HB TYR 73 -5.848 -7.195 -2.903 574 HD1 TYR 73 1HD TYR 73 -3.078 -7.471 -2.562 575 HD2 TYR 73 2HD TYR 73 -5.905 -10.546 -3.565 576 HE1 TYR 73 1HE TYR 73 -1.546 -9.184 -1.628 577 HE2 TYR 73 2HE TYR 73 -4.374 -12.258 -2.632 578 HH TYR 73 HH TYR 73 -1.211 -11.792 -2.081 579 H GLN 74 H GLN 74 -7.819 -6.645 -5.631 580 HA GLN 74 HA GLN 74 -9.829 -5.992 -3.543 581 1HB GLN 74 2HB GLN 74 -10.225 -4.082 -5.231 582 2HB GLN 74 1HB GLN 74 -8.645 -4.130 -4.446 583 1HG GLN 74 2HG GLN 74 -7.742 -4.130 -6.514 584 2HG GLN 74 1HG GLN 74 -8.343 -5.781 -6.676 585 1HE2 GLN 74 1HE2 GLN 74 -11.102 -5.397 -6.910 586 2HE2 GLN 74 2HE2 GLN 74 -11.441 -4.474 -8.294 587 H GLY 75 H GLY 75 -9.705 -6.857 -7.016 588 1HA GLY 75 2HA GLY 75 -11.292 -8.022 -8.310 589 2HA GLY 75 1HA GLY 75 -12.168 -8.379 -6.818 590 H THR 76 H THR 76 -13.753 -6.903 -6.085 591 HA THR 76 HA THR 76 -14.723 -5.020 -8.190 592 HB THR 76 HB THR 76 -16.799 -5.172 -6.636 593 HG1 THR 76 1HG THR 76 -15.727 -6.032 -4.852 594 1HG2 THR 76 1HG2 THR 76 -17.551 -7.097 -7.777 595 2HG2 THR 76 2HG2 THR 76 -15.939 -7.813 -7.808 596 3HG2 THR 76 3HG2 THR 76 -16.311 -6.432 -8.840 597 H TRP 77 H TRP 77 -12.830 -3.589 -7.323 598 HA TRP 77 HA TRP 77 -13.133 -2.376 -4.695 599 1HB TRP 77 2HB TRP 77 -11.451 -0.743 -5.870 600 2HB TRP 77 1HB TRP 77 -10.953 -2.407 -5.565 601 HD1 TRP 77 HD TRP 77 -13.417 -2.591 -8.202 602 HE1 TRP 77 1HE TRP 77 -12.318 -2.724 -10.530 603 HE3 TRP 77 3HE TRP 77 -8.653 -1.188 -7.010 604 HZ2 TRP 77 2HZ TRP 77 -9.756 -2.291 -11.728 605 HZ3 TRP 77 3HZ TRP 77 -6.906 -1.056 -8.762 606 HH2 TRP 77 HH TRP 77 -7.451 -1.606 -11.117 607 H VAL 78 H VAL 78 -13.559 -0.037 -4.413 608 HA VAL 78 HA VAL 78 -15.237 1.207 -6.548 609 HB VAL 78 HB VAL 78 -16.451 1.760 -4.056 610 1HG1 VAL 78 1HG1 VAL 78 -17.065 0.478 -6.607 611 2HG1 VAL 78 2HG1 VAL 78 -18.094 1.479 -5.582 612 3HG1 VAL 78 3HG1 VAL 78 -17.954 -0.252 -5.270 613 1HG2 VAL 78 1HG2 VAL 78 -16.200 -1.226 -4.339 614 2HG2 VAL 78 2HG2 VAL 78 -16.692 -0.284 -2.932 615 3HG2 VAL 78 3HG2 VAL 78 -14.997 -0.326 -3.415 616 HA PRO 79 HA PRO 79 -13.209 4.985 -5.667 617 1HB PRO 79 2HB PRO 79 -15.851 6.181 -4.971 618 2HB PRO 79 1HB PRO 79 -14.650 6.719 -6.161 619 1HG PRO 79 2HG PRO 79 -16.934 5.487 -6.866 620 2HG PRO 79 1HG PRO 79 -15.431 5.325 -7.786 621 1HD PRO 79 2HD PRO 79 -16.794 3.356 -6.067 622 2HD PRO 79 1HD PRO 79 -15.653 3.100 -7.405 623 H LEU 80 H LEU 80 -12.064 5.016 -3.746 624 HA LEU 80 HA LEU 80 -12.896 4.206 -1.211 625 1HB LEU 80 2HB LEU 80 -10.806 4.939 -0.660 626 2HB LEU 80 1HB LEU 80 -10.653 5.271 -2.385 627 HG LEU 80 HG LEU 80 -11.791 7.280 -0.430 628 1HD1 LEU 80 1HD1 LEU 80 -9.552 8.371 -0.556 629 2HD1 LEU 80 2HD1 LEU 80 -8.945 6.966 -1.431 630 3HD1 LEU 80 3HD1 LEU 80 -9.489 6.797 0.237 631 1HD2 LEU 80 1HD2 LEU 80 -11.836 8.732 -2.214 632 2HD2 LEU 80 2HD2 LEU 80 -12.001 7.226 -3.117 633 3HD2 LEU 80 3HD2 LEU 80 -10.423 8.001 -2.976 634 H ASN 81 H ASN 81 -13.345 7.384 -2.742 635 HA ASN 81 HA ASN 81 -14.245 8.832 -0.454 636 1HB ASN 81 2HB ASN 81 -13.665 9.473 -2.955 637 2HB ASN 81 1HB ASN 81 -15.394 9.227 -3.204 638 1HD2 ASN 81 1HD2 ASN 81 -14.794 10.209 0.001 639 2HD2 ASN 81 2HD2 ASN 81 -15.132 11.862 -0.185 640 H ILE 82 H ILE 82 -15.843 6.535 -2.581 641 HA ILE 82 HA ILE 82 -18.433 6.968 -1.146 642 HB ILE 82 HB ILE 82 -18.249 7.148 -3.665 643 1HG1 ILE 82 2HG1 ILE 82 -19.964 4.855 -2.660 644 2HG1 ILE 82 1HG1 ILE 82 -20.373 6.561 -2.474 645 1HG2 ILE 82 1HG2 ILE 82 -17.809 4.154 -3.463 646 2HG2 ILE 82 2HG2 ILE 82 -16.552 5.318 -3.882 647 3HG2 ILE 82 3HG2 ILE 82 -17.942 5.099 -4.946 648 1HD1 ILE 82 1HD1 ILE 82 -21.486 5.573 -4.454 649 2HD1 ILE 82 2HD1 ILE 82 -19.908 5.156 -5.121 650 3HD1 ILE 82 3HD1 ILE 82 -20.359 6.848 -4.914 651 H ALA 83 H ALA 83 -15.949 4.587 -1.951 652 HA ALA 83 HA ALA 83 -17.287 2.230 -1.040 653 1HB ALA 83 1HB ALA 83 -15.358 1.540 -2.007 654 2HB ALA 83 2HB ALA 83 -14.536 1.986 -0.513 655 3HB ALA 83 3HB ALA 83 -14.643 3.144 -1.839 656 H LYS 84 H LYS 84 -14.807 4.195 0.682 657 HA LYS 84 HA LYS 84 -15.173 2.931 3.216 658 1HB LYS 84 2HB LYS 84 -13.664 4.567 3.926 659 2HB LYS 84 1HB LYS 84 -13.371 4.576 2.186 660 1HG LYS 84 2HG LYS 84 -15.372 6.352 2.246 661 2HG LYS 84 1HG LYS 84 -14.763 6.597 3.884 662 1HD LYS 84 2HD LYS 84 -12.697 6.447 1.765 663 2HD LYS 84 1HD LYS 84 -13.744 7.865 1.708 664 1HE LYS 84 2HE LYS 84 -13.005 7.405 4.446 665 2HE LYS 84 1HE LYS 84 -11.535 7.426 3.451 666 1HZ LYS 84 1HZ LYS 84 -12.260 9.457 2.417 667 2HZ LYS 84 2HZ LYS 84 -13.725 9.428 3.276 668 H GLN 85 H GLN 85 -16.880 5.583 1.625 669 HA GLN 85 HA GLN 85 -18.241 6.598 3.949 670 1HB GLN 85 2HB GLN 85 -18.035 7.852 1.875 671 2HB GLN 85 1HB GLN 85 -18.878 6.586 0.984 672 1HG GLN 85 2HG GLN 85 -20.822 7.002 2.652 673 2HG GLN 85 1HG GLN 85 -19.995 8.518 3.008 674 1HE2 GLN 85 1HE2 GLN 85 -21.183 6.622 0.176 675 2HE2 GLN 85 2HE2 GLN 85 -21.592 7.985 -0.749 676 H LEU 86 H LEU 86 -18.805 3.883 1.800 677 HA LEU 86 HA LEU 86 -21.531 3.404 2.835 678 1HB LEU 86 2HB LEU 86 -20.256 2.938 0.475 679 2HB LEU 86 1HB LEU 86 -20.094 1.362 1.251 680 HG LEU 86 HG LEU 86 -22.765 2.429 1.630 681 1HD1 LEU 86 1HD1 LEU 86 -22.419 1.695 -1.212 682 2HD1 LEU 86 2HD1 LEU 86 -21.746 3.264 -0.767 683 3HD1 LEU 86 3HD1 LEU 86 -23.453 2.925 -0.483 684 1HD2 LEU 86 1HD2 LEU 86 -22.632 0.109 -0.060 685 2HD2 LEU 86 2HD2 LEU 86 -23.104 0.201 1.637 686 3HD2 LEU 86 3HD2 LEU 86 -21.411 -0.040 1.204 687 H ALA 87 H ALA 87 -18.268 2.034 3.112 688 HA ALA 87 HA ALA 87 -19.202 -0.061 4.979 689 1HB ALA 87 1HB ALA 87 -16.352 0.180 4.791 690 2HB ALA 87 2HB ALA 87 -17.031 0.408 3.179 691 3HB ALA 87 3HB ALA 87 -17.385 -1.063 4.086 692 H GLU 88 H GLU 88 -16.642 2.470 5.130 693 HA GLU 88 HA GLU 88 -15.886 2.554 7.692 694 1HB GLU 88 2HB GLU 88 -15.257 4.661 7.144 695 2HB GLU 88 1HB GLU 88 -15.993 4.308 5.587 696 1HG GLU 88 2HG GLU 88 -17.818 5.622 5.996 697 2HG GLU 88 1HG GLU 88 -17.862 5.196 7.708 698 H LYS 89 H LYS 89 -19.193 3.081 6.646 699 HA LYS 89 HA LYS 89 -20.145 4.301 9.095 700 1HB LYS 89 2HB LYS 89 -21.146 4.186 6.690 701 2HB LYS 89 1HB LYS 89 -21.747 2.601 7.180 702 1HG LYS 89 2HG LYS 89 -22.609 3.906 9.299 703 2HG LYS 89 1HG LYS 89 -22.480 5.311 8.241 704 1HD LYS 89 2HD LYS 89 -24.458 4.754 7.327 705 2HD LYS 89 1HD LYS 89 -23.717 3.277 6.710 706 1HE LYS 89 2HE LYS 89 -24.635 1.971 8.365 707 2HE LYS 89 1HE LYS 89 -24.502 3.253 9.586 708 1HZ LYS 89 1HZ LYS 89 -26.187 4.422 7.962 709 2HZ LYS 89 2HZ LYS 89 -26.583 2.818 7.573 710 H PHE 90 H PHE 90 -21.826 1.461 8.156 711 HA PHE 90 HA PHE 90 -21.012 0.109 10.708 712 1HB PHE 90 2HB PHE 90 -23.533 -0.075 9.024 713 2HB PHE 90 1HB PHE 90 -23.268 -0.904 10.558 714 HD1 PHE 90 1HD PHE 90 -25.567 0.628 10.719 715 HD2 PHE 90 2HD PHE 90 -21.516 2.045 10.888 716 HE1 PHE 90 1HE PHE 90 -26.325 2.648 11.943 717 HE2 PHE 90 2HE PHE 90 -22.273 4.066 12.111 718 HZ PHE 90 HZ PHE 90 -24.677 4.366 12.638 719 H SER 91 H SER 91 -20.356 -0.030 7.486 720 HA SER 91 HA SER 91 -20.697 -2.887 7.008 721 1HB SER 91 2HB SER 91 -18.865 -1.337 5.308 722 2HB SER 91 1HB SER 91 -20.309 -2.242 4.865 723 HG SER 91 HG SER 91 -21.291 -0.395 4.811 724 H VAL 92 H VAL 92 -17.689 -0.991 6.674 725 HA VAL 92 HA VAL 92 -16.244 -3.238 8.048 726 HB VAL 92 HB VAL 92 -14.390 -1.960 6.488 727 1HG1 VAL 92 1HG1 VAL 92 -14.728 -3.812 4.903 728 2HG1 VAL 92 2HG1 VAL 92 -16.319 -4.124 5.595 729 3HG1 VAL 92 3HG1 VAL 92 -14.870 -4.388 6.565 730 1HG2 VAL 92 1HG2 VAL 92 -15.301 -0.892 4.700 731 2HG2 VAL 92 2HG2 VAL 92 -16.746 -0.767 5.704 732 3HG2 VAL 92 3HG2 VAL 92 -16.594 -2.081 4.537 733 H TYR 93 H TYR 93 -17.186 -0.051 8.382 734 HA TYR 93 HA TYR 93 -15.268 1.635 9.195 735 1HB TYR 93 2HB TYR 93 -17.612 1.996 9.668 736 2HB TYR 93 1HB TYR 93 -17.636 0.657 10.811 737 HD1 TYR 93 1HD TYR 93 -14.657 2.740 10.708 738 HD2 TYR 93 2HD TYR 93 -18.504 2.243 12.554 739 HE1 TYR 93 1HE TYR 93 -13.981 4.278 12.532 740 HE2 TYR 93 2HE TYR 93 -17.828 3.782 14.377 741 HH TYR 93 HH TYR 93 -15.590 5.886 14.269 742 H ASP 94 H ASP 94 -15.811 -1.513 10.677 743 HA ASP 94 HA ASP 94 -13.908 -0.978 12.876 744 1HB ASP 94 2HB ASP 94 -14.708 -3.025 13.716 745 2HB ASP 94 1HB ASP 94 -16.103 -2.413 12.827 746 H GLN 95 H GLN 95 -14.127 -3.476 10.304 747 HA GLN 95 HA GLN 95 -11.446 -4.391 10.505 748 1HB GLN 95 2HB GLN 95 -13.770 -4.731 8.871 749 2HB GLN 95 1HB GLN 95 -12.384 -4.512 7.801 750 1HG GLN 95 2HG GLN 95 -12.393 -6.833 8.210 751 2HG GLN 95 1HG GLN 95 -11.190 -6.221 9.347 752 1HE2 GLN 95 1HE2 GLN 95 -14.632 -7.212 9.133 753 2HE2 GLN 95 2HE2 GLN 95 -14.782 -7.604 10.778 754 H LEU 96 H LEU 96 -12.797 -1.541 8.995 755 HA LEU 96 HA LEU 96 -10.392 -0.982 7.391 756 1HB LEU 96 2HB LEU 96 -12.524 1.035 7.958 757 2HB LEU 96 1HB LEU 96 -11.746 0.630 6.428 758 HG LEU 96 HG LEU 96 -13.301 -1.578 7.602 759 1HD1 LEU 96 1HD1 LEU 96 -15.482 -0.581 6.897 760 2HD1 LEU 96 2HD1 LEU 96 -14.664 0.964 6.661 761 3HD1 LEU 96 3HD1 LEU 96 -14.765 0.257 8.274 762 1HD2 LEU 96 1HD2 LEU 96 -13.984 -0.558 4.938 763 2HD2 LEU 96 2HD2 LEU 96 -13.417 -2.159 5.413 764 3HD2 LEU 96 3HD2 LEU 96 -12.258 -0.860 5.135 765 H LYS 97 H LYS 97 -10.182 -1.179 10.398 766 HA LYS 97 HA LYS 97 -9.997 1.304 11.704 767 1HB LYS 97 2HB LYS 97 -9.514 -0.380 13.164 768 2HB LYS 97 1HB LYS 97 -8.831 -1.398 11.893 769 1HG LYS 97 2HG LYS 97 -6.705 -0.541 12.154 770 2HG LYS 97 1HG LYS 97 -7.292 1.033 12.692 771 1HD LYS 97 2HD LYS 97 -7.941 -1.241 14.476 772 2HD LYS 97 1HD LYS 97 -6.230 -0.824 14.372 773 1HE LYS 97 2HE LYS 97 -8.348 1.291 14.834 774 2HE LYS 97 1HE LYS 97 -7.573 0.423 16.174 775 1HZ LYS 97 1HZ LYS 97 -6.308 2.125 14.111 776 2HZ LYS 97 2HZ LYS 97 -5.408 0.973 14.978 777 HA PRO 98 HA PRO 98 -5.481 1.708 10.070 778 1HB PRO 98 2HB PRO 98 -4.866 0.074 7.916 779 2HB PRO 98 1HB PRO 98 -4.464 -0.302 9.602 780 1HG PRO 98 2HG PRO 98 -6.667 -1.334 7.907 781 2HG PRO 98 1HG PRO 98 -5.745 -2.142 9.183 782 1HD PRO 98 2HD PRO 98 -8.287 -1.213 9.514 783 2HD PRO 98 1HD PRO 98 -7.115 -1.373 10.841 784 H LEU 99 H LEU 99 -7.356 0.443 7.276 785 HA LEU 99 HA LEU 99 -6.787 2.309 5.327 786 1HB LEU 99 2HB LEU 99 -9.615 1.464 6.009 787 2HB LEU 99 1HB LEU 99 -8.921 1.725 4.408 788 HG LEU 99 HG LEU 99 -7.751 -0.361 6.231 789 1HD1 LEU 99 1HD1 LEU 99 -9.495 -1.618 4.386 790 2HD1 LEU 99 2HD1 LEU 99 -10.435 -0.359 5.186 791 3HD1 LEU 99 3HD1 LEU 99 -9.629 -1.598 6.145 792 1HD2 LEU 99 1HD2 LEU 99 -6.402 -0.370 4.397 793 2HD2 LEU 99 2HD2 LEU 99 -7.592 0.470 3.404 794 3HD2 LEU 99 3HD2 LEU 99 -7.715 -1.272 3.643 795 H PHE 100 H PHE 100 -9.069 2.716 8.029 796 HA PHE 100 HA PHE 100 -9.576 5.536 7.298 797 1HB PHE 100 2HB PHE 100 -10.563 3.546 9.337 798 2HB PHE 100 1HB PHE 100 -10.937 5.259 9.520 799 HD1 PHE 100 1HD PHE 100 -12.786 2.753 8.850 800 HD2 PHE 100 2HD PHE 100 -11.040 5.919 6.531 801 HE1 PHE 100 1HE PHE 100 -14.609 2.536 7.182 802 HE2 PHE 100 2HE PHE 100 -12.862 5.702 4.863 803 HZ PHE 100 HZ PHE 100 -14.647 4.012 5.189 804 H ASP 101 H ASP 101 -7.554 3.637 9.393 805 HA ASP 101 HA ASP 101 -6.966 5.503 11.460 806 1HB ASP 101 2HB ASP 101 -5.456 3.273 10.083 807 2HB ASP 101 1HB ASP 101 -4.761 4.153 11.445 808 H PHE 102 H PHE 102 -6.104 5.451 8.096 809 HA PHE 102 HA PHE 102 -4.739 8.051 8.397 810 1HB PHE 102 2HB PHE 102 -3.308 5.624 8.466 811 2HB PHE 102 1HB PHE 102 -3.038 6.284 6.853 812 HD1 PHE 102 1HD PHE 102 -3.753 8.275 9.901 813 HD2 PHE 102 2HD PHE 102 -0.759 6.998 7.099 814 HE1 PHE 102 1HE PHE 102 -2.167 9.932 10.843 815 HE2 PHE 102 2HE PHE 102 0.828 8.655 8.041 816 HZ PHE 102 HZ PHE 102 0.125 10.122 9.913 817 H THR 103 H THR 103 -5.878 9.133 6.839 818 HA THR 103 HA THR 103 -5.878 8.004 4.071 819 HB THR 103 HB THR 103 -8.322 9.417 4.999 820 HG1 THR 103 1HG THR 103 -7.996 6.717 5.687 821 1HG2 THR 103 1HG2 THR 103 -9.143 8.388 3.177 822 2HG2 THR 103 2HG2 THR 103 -8.658 6.809 3.796 823 3HG2 THR 103 3HG2 THR 103 -7.519 7.776 2.858 824 H GLN 104 H GLN 104 -4.306 10.174 5.369 825 HA GLN 104 HA GLN 104 -5.435 12.581 3.995 826 1HB GLN 104 2HB GLN 104 -4.362 12.089 6.549 827 2HB GLN 104 1HB GLN 104 -3.128 13.017 5.697 828 1HG GLN 104 2HG GLN 104 -5.316 14.114 6.947 829 2HG GLN 104 1HG GLN 104 -4.399 14.899 5.660 830 1HE2 GLN 104 1HE2 GLN 104 -5.867 15.765 4.187 831 2HE2 GLN 104 2HE2 GLN 104 -7.256 14.972 3.618 832 H THR 105 H THR 105 -4.583 12.723 1.944 833 HA THR 105 HA THR 105 -1.690 12.042 1.560 834 HB THR 105 HB THR 105 -2.561 10.850 -0.155 835 HG1 THR 105 1HG THR 105 -2.244 13.166 -1.055 836 1HG2 THR 105 1HG2 THR 105 -4.767 11.254 1.251 837 2HG2 THR 105 2HG2 THR 105 -4.849 10.542 -0.360 838 3HG2 THR 105 3HG2 THR 105 -5.206 12.254 -0.134 839 H ASP 106 H ASP 106 -0.342 13.776 1.229 840 HA ASP 106 HA ASP 106 -1.514 16.458 0.797 841 1HB ASP 106 2HB ASP 106 1.008 17.015 1.068 842 2HB ASP 106 1HB ASP 106 0.168 16.339 2.463 843 H GLY 107 H GLY 107 -0.622 13.961 -1.201 844 1HA GLY 107 2HA GLY 107 -0.481 14.025 -3.575 845 2HA GLY 107 1HA GLY 107 -0.322 15.780 -3.492 846 H SER 108 H SER 108 1.825 15.078 -1.292 847 HA SER 108 HA SER 108 4.141 15.592 -2.814 848 1HB SER 108 2HB SER 108 3.460 15.301 -0.179 849 2HB SER 108 1HB SER 108 4.448 13.865 -0.431 850 HG SER 108 HG SER 108 5.729 15.647 0.158 851 H ALA 109 H ALA 109 6.024 14.007 -3.076 852 HA ALA 109 HA ALA 109 5.769 12.047 -4.899 853 1HB ALA 109 1HB ALA 109 7.893 12.588 -3.878 854 2HB ALA 109 2HB ALA 109 7.642 10.855 -3.664 855 3HB ALA 109 3HB ALA 109 7.360 11.959 -2.318 856 H SER 110 H SER 110 5.732 9.575 -4.634 857 HA SER 110 HA SER 110 3.267 8.769 -3.346 858 1HB SER 110 2HB SER 110 4.708 7.897 -5.428 859 2HB SER 110 1HB SER 110 5.362 6.815 -4.203 860 HG SER 110 HG SER 110 3.527 5.906 -5.164 861 HA PRO 111 HA PRO 111 4.945 8.056 0.689 862 1HB PRO 111 2HB PRO 111 2.870 6.414 1.547 863 2HB PRO 111 1HB PRO 111 2.842 8.187 1.597 864 1HG PRO 111 2HG PRO 111 1.587 6.330 -0.342 865 2HG PRO 111 1HG PRO 111 1.026 7.900 0.249 866 1HD PRO 111 2HD PRO 111 2.119 7.537 -2.212 867 2HD PRO 111 1HD PRO 111 2.229 9.066 -1.312 868 HA PRO 112 HA PRO 112 6.985 4.198 0.093 869 1HB PRO 112 2HB PRO 112 7.730 3.763 2.729 870 2HB PRO 112 1HB PRO 112 8.599 4.822 1.602 871 1HG PRO 112 2HG PRO 112 6.690 5.517 3.762 872 2HG PRO 112 1HG PRO 112 8.117 6.392 3.187 873 1HD PRO 112 2HD PRO 112 5.566 7.117 2.575 874 2HD PRO 112 1HD PRO 112 6.958 7.451 1.522 875 HA PRO 113 HA PRO 113 3.875 1.198 0.923 876 1HB PRO 113 2HB PRO 113 6.105 -0.754 1.104 877 2HB PRO 113 1HB PRO 113 4.712 -0.736 0.005 878 1HG PRO 113 2HG PRO 113 7.197 -0.123 -0.810 879 2HG PRO 113 1HG PRO 113 5.751 0.618 -1.510 880 1HD PRO 113 2HD PRO 113 7.747 1.774 0.354 881 2HD PRO 113 1HD PRO 113 6.754 2.571 -0.888 882 H ALA 114 H ALA 114 4.640 -1.211 2.467 883 HA ALA 114 HA ALA 114 4.102 -0.244 5.130 884 1HB ALA 114 1HB ALA 114 5.210 -2.934 4.288 885 2HB ALA 114 2HB ALA 114 3.525 -2.479 4.042 886 3HB ALA 114 3HB ALA 114 4.181 -2.585 5.676 887 HA PRO 115 HA PRO 115 8.396 0.827 5.898 888 1HB PRO 115 2HB PRO 115 7.887 1.697 8.485 889 2HB PRO 115 1HB PRO 115 7.733 2.708 7.036 890 1HG PRO 115 2HG PRO 115 5.634 1.339 8.619 891 2HG PRO 115 1HG PRO 115 5.576 2.883 7.758 892 1HD PRO 115 2HD PRO 115 4.422 0.606 6.821 893 2HD PRO 115 1HD PRO 115 5.025 1.902 5.765 894 H LYS 116 H LYS 116 9.904 -0.634 6.620 895 HA LYS 116 HA LYS 116 9.251 -3.092 7.889 896 1HB LYS 116 2HB LYS 116 11.583 -1.569 7.019 897 2HB LYS 116 1HB LYS 116 11.927 -2.509 8.471 898 1HG LYS 116 2HG LYS 116 12.379 -3.847 6.457 899 2HG LYS 116 1HG LYS 116 11.030 -4.533 7.364 900 1HD LYS 116 2HD LYS 116 10.192 -2.512 5.410 901 2HD LYS 116 1HD LYS 116 10.982 -3.905 4.671 902 1HE LYS 116 2HE LYS 116 9.441 -5.399 6.008 903 2HE LYS 116 1HE LYS 116 8.563 -3.939 6.508 904 1HZ LYS 116 1HZ LYS 116 8.598 -3.395 4.009 905 2HZ LYS 116 2HZ LYS 116 8.904 -5.052 3.796 906 H HIS 117 H HIS 117 7.872 -2.304 9.719 907 HA HIS 117 HA HIS 117 9.548 -1.462 12.064 908 1HB HIS 117 2HB HIS 117 8.215 0.355 12.178 909 2HB HIS 117 1HB HIS 117 7.323 -0.204 10.764 910 HD1 HIS 117 1HD HIS 117 5.452 -2.161 11.384 911 HD2 HIS 117 2HD HIS 117 6.673 0.364 14.468 912 HE1 HIS 117 1HE HIS 117 3.693 -2.342 13.196 913 H HIS 118 H HIS 118 8.891 -2.392 14.101 914 HA HIS 118 HA HIS 118 8.162 -5.089 14.165 915 1HB HIS 118 2HB HIS 118 7.845 -4.706 16.532 916 2HB HIS 118 1HB HIS 118 9.111 -3.604 15.988 917 HD1 HIS 118 1HD HIS 118 5.804 -2.563 14.841 918 HD2 HIS 118 2HD HIS 118 8.110 -1.959 18.262 919 HE1 HIS 118 1HE HIS 118 4.784 -0.587 16.053 920 H HIS 119 H HIS 119 6.135 -6.146 14.759 921 HA HIS 119 HA HIS 119 3.781 -4.872 13.519 922 1HB HIS 119 2HB HIS 119 4.820 -7.427 13.720 923 2HB HIS 119 1HB HIS 119 3.488 -7.466 14.875 924 HD1 HIS 119 1HD HIS 119 2.365 -9.116 13.033 925 HD2 HIS 119 2HD HIS 119 2.753 -5.118 11.919 926 HE1 HIS 119 1HE HIS 119 0.825 -8.771 11.052 927 H ALA 120 H ALA 120 2.999 -3.288 14.961 928 HA ALA 120 HA ALA 120 2.769 -3.784 17.832 929 1HB ALA 120 1HB ALA 120 3.057 -1.539 17.352 930 2HB ALA 120 2HB ALA 120 1.293 -1.585 17.391 931 3HB ALA 120 3HB ALA 120 2.143 -1.641 15.846 932 H SER 121 H SER 121 0.796 -4.133 18.977 933 HA SER 121 HA SER 121 -1.440 -5.203 17.294 934 1HB SER 121 2HB SER 121 -0.246 -5.842 19.972 935 2HB SER 121 1HB SER 121 -1.933 -6.250 19.675 936 HG SER 121 HG SER 121 0.118 -6.924 17.851 937 H LYS 122 H LYS 122 -3.430 -4.208 17.454 938 HA LYS 122 HA LYS 122 -3.666 -1.810 19.166 939 1HB LYS 122 2HB LYS 122 -5.578 -3.073 17.175 940 2HB LYS 122 1HB LYS 122 -5.652 -1.424 17.797 941 1HG LYS 122 2HG LYS 122 -3.791 -2.614 15.790 942 2HG LYS 122 1HG LYS 122 -4.526 -1.010 15.828 943 1HD LYS 122 2HD LYS 122 -3.023 -0.351 17.662 944 2HD LYS 122 1HD LYS 122 -2.296 -1.958 17.652 945 1HE LYS 122 2HE LYS 122 -0.802 -1.080 16.168 946 2HE LYS 122 1HE LYS 122 -2.124 -1.165 14.986 947 1HZ LYS 122 1HZ LYS 122 -1.195 1.104 15.253 948 2HZ LYS 122 2HZ LYS 122 -2.851 1.010 15.617 949 H VAL 123 H VAL 123 -5.519 -1.538 20.614 950 HA VAL 123 HA VAL 123 -6.059 -3.824 22.278 951 HB VAL 123 HB VAL 123 -7.028 -0.991 22.007 952 1HG1 VAL 123 1HG1 VAL 123 -8.819 -2.869 22.770 953 2HG1 VAL 123 2HG1 VAL 123 -8.787 -1.243 23.455 954 3HG1 VAL 123 3HG1 VAL 123 -8.021 -2.578 24.316 955 1HG2 VAL 123 1HG2 VAL 123 -5.037 -1.043 23.208 956 2HG2 VAL 123 2HG2 VAL 123 -5.374 -2.630 23.896 957 3HG2 VAL 123 3HG2 VAL 123 -6.206 -1.206 24.519 958 H ASP 124 H ASP 124 -7.870 -5.177 22.327 959 HA ASP 124 HA ASP 124 -9.446 -5.467 19.918 960 1HB ASP 124 2HB ASP 124 -8.693 -7.221 21.620 961 2HB ASP 124 1HB ASP 124 -9.978 -6.619 22.668 Start of MODEL 5 1 H SER 2 H SER 2 0.527 -7.830 8.657 2 HA SER 2 HA SER 2 0.463 -5.323 9.794 3 1HB SER 2 2HB SER 2 0.786 -4.529 7.383 4 2HB SER 2 1HB SER 2 1.858 -5.824 7.908 5 HG SER 2 HG SER 2 1.021 -7.005 6.398 6 H ASN 3 H ASN 3 -1.321 -4.188 10.469 7 HA ASN 3 HA ASN 3 -3.890 -4.423 9.030 8 1HB ASN 3 2HB ASN 3 -4.302 -2.633 11.017 9 2HB ASN 3 1HB ASN 3 -4.281 -4.375 11.299 10 1HD2 ASN 3 1HD2 ASN 3 -1.322 -2.622 10.474 11 2HD2 ASN 3 2HD2 ASN 3 -0.594 -2.773 12.000 12 H GLN 4 H GLN 4 -1.129 -2.508 8.758 13 HA GLN 4 HA GLN 4 -2.310 0.085 8.253 14 1HB GLN 4 2HB GLN 4 0.313 -1.272 7.584 15 2HB GLN 4 1HB GLN 4 -0.007 0.419 7.196 16 1HG GLN 4 2HG GLN 4 0.258 1.074 9.346 17 2HG GLN 4 1HG GLN 4 -0.703 -0.272 9.959 18 1HE2 GLN 4 1HE2 GLN 4 0.420 -2.300 10.438 19 2HE2 GLN 4 2HE2 GLN 4 2.112 -2.359 10.572 20 H ILE 5 H ILE 5 -1.581 0.993 5.869 21 HA ILE 5 HA ILE 5 -2.905 -0.833 3.890 22 HB ILE 5 HB ILE 5 -3.097 2.041 4.594 23 1HG1 ILE 5 2HG1 ILE 5 -5.105 0.525 2.977 24 2HG1 ILE 5 1HG1 ILE 5 -4.826 0.001 4.639 25 1HG2 ILE 5 1HG2 ILE 5 -2.050 2.291 2.421 26 2HG2 ILE 5 2HG2 ILE 5 -3.773 2.621 2.240 27 3HG2 ILE 5 3HG2 ILE 5 -3.112 1.071 1.721 28 1HD1 ILE 5 1HD1 ILE 5 -6.644 1.675 4.521 29 2HD1 ILE 5 2HD1 ILE 5 -5.526 2.827 3.789 30 3HD1 ILE 5 3HD1 ILE 5 -5.272 2.283 5.447 31 H TYR 6 H TYR 6 -0.847 -1.781 3.249 32 HA TYR 6 HA TYR 6 1.491 -0.323 2.528 33 1HB TYR 6 2HB TYR 6 0.274 -2.988 1.831 34 2HB TYR 6 1HB TYR 6 1.783 -2.481 1.073 35 HD1 TYR 6 1HD TYR 6 2.054 -4.835 2.617 36 HD2 TYR 6 2HD TYR 6 1.923 -0.772 4.004 37 HE1 TYR 6 1HE TYR 6 3.302 -5.492 4.657 38 HE2 TYR 6 2HE TYR 6 3.171 -1.428 6.044 39 HH TYR 6 HH TYR 6 4.227 -3.068 7.102 40 H SER 7 H SER 7 2.312 -0.117 0.230 41 HA SER 7 HA SER 7 0.103 0.806 -1.577 42 1HB SER 7 2HB SER 7 2.014 2.304 -0.524 43 2HB SER 7 1HB SER 7 2.985 1.616 -1.823 44 HG SER 7 HG SER 7 2.033 3.432 -2.639 45 H ALA 8 H ALA 8 0.149 0.111 -3.755 46 HA ALA 8 HA ALA 8 2.396 -1.606 -4.663 47 1HB ALA 8 1HB ALA 8 -0.492 -2.529 -4.598 48 2HB ALA 8 2HB ALA 8 0.710 -2.988 -3.393 49 3HB ALA 8 3HB ALA 8 0.910 -3.485 -5.074 50 H ARG 9 H ARG 9 2.299 -1.986 -7.003 51 HA ARG 9 HA ARG 9 0.297 -0.352 -8.497 52 1HB ARG 9 2HB ARG 9 1.885 1.092 -9.284 53 2HB ARG 9 1HB ARG 9 2.796 0.576 -7.863 54 1HG ARG 9 2HG ARG 9 4.116 -0.924 -9.093 55 2HG ARG 9 1HG ARG 9 2.952 -1.011 -10.415 56 1HD ARG 9 2HD ARG 9 5.165 0.860 -10.035 57 2HD ARG 9 1HD ARG 9 4.185 0.567 -11.485 58 HE ARG 9 HE ARG 9 2.802 2.376 -10.849 59 1HH1 ARG 9 1HH1 ARG 9 4.727 1.224 -8.231 60 1HH2 ARG 9 1HH2 ARG 9 2.167 4.034 -9.448 61 2HH2 ARG 9 2HH2 ARG 9 2.798 4.079 -7.837 62 H TYR 10 H TYR 10 -0.518 -1.642 -10.103 63 HA TYR 10 HA TYR 10 1.312 -3.587 -11.445 64 1HB TYR 10 2HB TYR 10 -1.504 -4.241 -10.548 65 2HB TYR 10 1HB TYR 10 -0.253 -5.362 -11.087 66 HD1 TYR 10 1HD TYR 10 -0.605 -2.627 -8.530 67 HD2 TYR 10 2HD TYR 10 0.784 -6.593 -9.416 68 HE1 TYR 10 1HE TYR 10 0.186 -2.871 -6.193 69 HE2 TYR 10 2HE TYR 10 1.575 -6.838 -7.079 70 HH TYR 10 HH TYR 10 2.275 -5.331 -5.208 71 H SER 11 H SER 11 0.474 -4.269 -13.571 72 HA SER 11 HA SER 11 -0.440 -3.737 -15.686 73 1HB SER 11 2HB SER 11 -2.518 -4.485 -15.093 74 2HB SER 11 1HB SER 11 -2.519 -3.568 -13.589 75 HG SER 11 HG SER 11 -3.124 -2.696 -16.214 76 H GLY 12 H GLY 12 1.153 -1.640 -14.403 77 1HA GLY 12 2HA GLY 12 1.705 0.587 -14.951 78 2HA GLY 12 1HA GLY 12 0.324 0.606 -16.049 79 H VAL 13 H VAL 13 -1.148 -0.438 -13.428 80 HA VAL 13 HA VAL 13 -2.070 2.253 -12.656 81 HB VAL 13 HB VAL 13 -2.964 -0.406 -11.540 82 1HG1 VAL 13 1HG1 VAL 13 -4.767 1.826 -12.374 83 2HG1 VAL 13 2HG1 VAL 13 -3.792 2.056 -10.922 84 3HG1 VAL 13 3HG1 VAL 13 -4.922 0.705 -11.022 85 1HG2 VAL 13 1HG2 VAL 13 -3.236 0.675 -14.314 86 2HG2 VAL 13 2HG2 VAL 13 -4.645 -0.112 -13.602 87 3HG2 VAL 13 3HG2 VAL 13 -3.130 -0.999 -13.769 88 H ASP 14 H ASP 14 -2.041 3.006 -10.459 89 HA ASP 14 HA ASP 14 0.097 1.759 -8.767 90 1HB ASP 14 2HB ASP 14 0.678 3.983 -9.377 91 2HB ASP 14 1HB ASP 14 -0.975 4.560 -9.155 92 H VAL 15 H VAL 15 -0.691 0.698 -6.977 93 HA VAL 15 HA VAL 15 -3.097 1.799 -5.607 94 HB VAL 15 HB VAL 15 -3.887 -0.681 -5.569 95 1HG1 VAL 15 1HG1 VAL 15 -5.289 -0.195 -7.339 96 2HG1 VAL 15 2HG1 VAL 15 -3.975 0.409 -8.349 97 3HG1 VAL 15 3HG1 VAL 15 -4.627 1.415 -7.054 98 1HG2 VAL 15 1HG2 VAL 15 -1.655 -0.686 -7.572 99 2HG2 VAL 15 2HG2 VAL 15 -3.071 -1.691 -7.883 100 3HG2 VAL 15 3HG2 VAL 15 -2.120 -1.934 -6.417 101 H TYR 16 H TYR 16 -3.495 0.315 -3.564 102 HA TYR 16 HA TYR 16 -0.842 -0.382 -2.346 103 1HB TYR 16 2HB TYR 16 -3.051 0.539 -0.603 104 2HB TYR 16 1HB TYR 16 -1.347 0.994 -0.586 105 HD1 TYR 16 1HD TYR 16 -0.496 2.551 -2.446 106 HD2 TYR 16 2HD TYR 16 -4.662 1.952 -1.590 107 HE1 TYR 16 1HE TYR 16 -1.044 4.655 -3.639 108 HE2 TYR 16 2HE TYR 16 -5.210 4.056 -2.782 109 HH TYR 16 HH TYR 16 -3.645 6.339 -3.294 110 H GLU 17 H GLU 17 -0.911 -2.209 -0.891 111 HA GLU 17 HA GLU 17 -3.430 -3.829 -1.086 112 1HB GLU 17 2HB GLU 17 -0.523 -4.403 -1.422 113 2HB GLU 17 1HB GLU 17 -1.507 -5.667 -0.683 114 1HG GLU 17 2HG GLU 17 -2.972 -5.759 -2.579 115 2HG GLU 17 1HG GLU 17 -2.273 -4.293 -3.269 116 H PHE 18 H PHE 18 -4.407 -3.971 0.876 117 HA PHE 18 HA PHE 18 -2.679 -4.115 3.328 118 1HB PHE 18 2HB PHE 18 -5.129 -3.065 4.095 119 2HB PHE 18 1HB PHE 18 -3.677 -2.119 3.772 120 HD1 PHE 18 1HD PHE 18 -7.017 -2.155 3.087 121 HD2 PHE 18 2HD PHE 18 -3.270 -2.051 0.990 122 HE1 PHE 18 1HE PHE 18 -8.136 -1.104 1.138 123 HE2 PHE 18 2HE PHE 18 -4.389 -1.001 -0.958 124 HZ PHE 18 HZ PHE 18 -6.822 -0.527 -0.884 125 H ILE 19 H ILE 19 -3.386 -5.614 4.921 126 HA ILE 19 HA ILE 19 -5.098 -7.791 3.954 127 HB ILE 19 HB ILE 19 -4.098 -7.495 6.771 128 1HG1 ILE 19 2HG1 ILE 19 -2.291 -6.613 5.301 129 2HG1 ILE 19 1HG1 ILE 19 -1.841 -8.141 6.058 130 1HG2 ILE 19 1HG2 ILE 19 -3.423 -9.929 5.377 131 2HG2 ILE 19 2HG2 ILE 19 -5.132 -9.564 5.138 132 3HG2 ILE 19 3HG2 ILE 19 -4.483 -9.714 6.770 133 1HD1 ILE 19 1HD1 ILE 19 -3.067 -7.977 3.297 134 2HD1 ILE 19 2HD1 ILE 19 -2.292 -9.371 4.048 135 3HD1 ILE 19 3HD1 ILE 19 -1.326 -7.974 3.574 136 H HIS 20 H HIS 20 -7.253 -8.037 4.431 137 HA HIS 20 HA HIS 20 -8.414 -6.654 6.787 138 1HB HIS 20 2HB HIS 20 -8.404 -5.524 4.227 139 2HB HIS 20 1HB HIS 20 -10.012 -6.233 4.379 140 HD1 HIS 20 1HD HIS 20 -11.276 -5.582 6.742 141 HD2 HIS 20 2HD HIS 20 -8.171 -3.087 5.513 142 HE1 HIS 20 1HE HIS 20 -11.549 -3.414 8.023 143 H SER 21 H SER 21 -11.077 -7.103 5.263 144 HA SER 21 HA SER 21 -11.735 -9.659 6.386 145 1HB SER 21 2HB SER 21 -12.968 -7.806 4.339 146 2HB SER 21 1HB SER 21 -13.752 -9.315 4.799 147 HG SER 21 HG SER 21 -12.935 -8.026 6.995 148 H THR 22 H THR 22 -10.839 -8.627 3.102 149 HA THR 22 HA THR 22 -10.917 -11.443 2.146 150 HB THR 22 HB THR 22 -11.799 -10.170 0.456 151 HG1 THR 22 1HG THR 22 -9.975 -10.780 -0.579 152 1HG2 THR 22 1HG2 THR 22 -11.319 -7.746 0.197 153 2HG2 THR 22 2HG2 THR 22 -10.152 -7.858 1.515 154 3HG2 THR 22 3HG2 THR 22 -11.864 -8.146 1.826 155 H GLY 23 H GLY 23 -8.824 -9.750 3.907 156 1HA GLY 23 2HA GLY 23 -6.548 -10.404 4.332 157 2HA GLY 23 1HA GLY 23 -6.473 -11.100 2.711 158 H SER 24 H SER 24 -5.229 -9.941 1.332 159 HA SER 24 HA SER 24 -4.349 -7.239 1.957 160 1HB SER 24 2HB SER 24 -2.934 -7.582 0.091 161 2HB SER 24 1HB SER 24 -3.174 -9.207 0.729 162 HG SER 24 HG SER 24 -4.777 -9.520 -0.835 163 H ILE 25 H ILE 25 -5.234 -5.338 1.227 164 HA ILE 25 HA ILE 25 -7.483 -5.520 -0.750 165 HB ILE 25 HB ILE 25 -6.951 -3.368 1.312 166 1HG1 ILE 25 2HG1 ILE 25 -7.186 -5.772 2.236 167 2HG1 ILE 25 1HG1 ILE 25 -8.278 -4.548 2.888 168 1HG2 ILE 25 1HG2 ILE 25 -8.938 -3.849 -0.742 169 2HG2 ILE 25 2HG2 ILE 25 -8.719 -2.428 0.279 170 3HG2 ILE 25 3HG2 ILE 25 -9.698 -3.779 0.848 171 1HD1 ILE 25 1HD1 ILE 25 -10.036 -5.263 1.323 172 2HD1 ILE 25 2HD1 ILE 25 -9.499 -6.622 2.310 173 3HD1 ILE 25 3HD1 ILE 25 -8.948 -6.472 0.641 174 H MET 26 H MET 26 -7.060 -4.535 -2.695 175 HA MET 26 HA MET 26 -4.904 -2.449 -2.762 176 1HB MET 26 2HB MET 26 -4.745 -4.826 -3.903 177 2HB MET 26 1HB MET 26 -5.770 -4.081 -5.131 178 1HG MET 26 2HG MET 26 -3.978 -2.125 -4.940 179 2HG MET 26 1HG MET 26 -2.949 -3.439 -4.371 180 1HE MET 26 1HE MET 26 -1.628 -5.100 -6.409 181 2HE MET 26 2HE MET 26 -3.007 -6.057 -6.946 182 3HE MET 26 3HE MET 26 -2.888 -5.563 -5.258 183 H LYS 27 H LYS 27 -5.650 -0.448 -3.284 184 HA LYS 27 HA LYS 27 -8.358 -0.177 -4.492 185 1HB LYS 27 2HB LYS 27 -7.697 2.311 -3.858 186 2HB LYS 27 1HB LYS 27 -8.164 1.168 -2.599 187 1HG LYS 27 2HG LYS 27 -5.352 0.880 -3.163 188 2HG LYS 27 1HG LYS 27 -5.716 2.571 -2.817 189 1HD LYS 27 2HD LYS 27 -7.150 0.840 -0.993 190 2HD LYS 27 1HD LYS 27 -5.421 0.492 -0.943 191 1HE LYS 27 2HE LYS 27 -4.882 2.773 -0.411 192 2HE LYS 27 1HE LYS 27 -6.537 3.309 -0.764 193 1HZ LYS 27 1HZ LYS 27 -7.377 2.252 1.085 194 2HZ LYS 27 2HZ LYS 27 -6.075 1.167 1.203 195 H ARG 28 H ARG 28 -8.656 1.322 -6.304 196 HA ARG 28 HA ARG 28 -6.483 1.147 -8.281 197 1HB ARG 28 2HB ARG 28 -9.360 1.479 -8.168 198 2HB ARG 28 1HB ARG 28 -8.646 2.691 -9.233 199 1HG ARG 28 2HG ARG 28 -9.156 0.671 -10.515 200 2HG ARG 28 1HG ARG 28 -7.408 0.883 -10.413 201 1HD ARG 28 2HD ARG 28 -8.600 -1.472 -9.840 202 2HD ARG 28 1HD ARG 28 -7.135 -0.933 -8.994 203 HE ARG 28 HE ARG 28 -9.484 0.180 -7.744 204 1HH1 ARG 28 1HH1 ARG 28 -7.631 -2.698 -8.148 205 1HH2 ARG 28 1HH2 ARG 28 -10.098 -0.680 -5.745 206 2HH2 ARG 28 2HH2 ARG 28 -9.491 -2.227 -5.260 207 H LYS 29 H LYS 29 -5.094 2.819 -8.757 208 HA LYS 29 HA LYS 29 -4.999 5.200 -7.152 209 1HB LYS 29 2HB LYS 29 -3.396 3.775 -8.940 210 2HB LYS 29 1HB LYS 29 -3.618 5.353 -9.697 211 1HG LYS 29 2HG LYS 29 -2.716 4.913 -6.835 212 2HG LYS 29 1HG LYS 29 -1.647 5.318 -8.180 213 1HD LYS 29 2HD LYS 29 -3.353 7.315 -8.516 214 2HD LYS 29 1HD LYS 29 -3.698 7.021 -6.812 215 1HE LYS 29 2HE LYS 29 -1.237 8.111 -8.075 216 2HE LYS 29 1HE LYS 29 -1.902 8.404 -6.456 217 1HZ LYS 29 1HZ LYS 29 -0.005 6.433 -7.296 218 2HZ LYS 29 2HZ LYS 29 -0.408 6.940 -5.725 219 H LYS 30 H LYS 30 -6.234 4.542 -10.419 220 HA LYS 30 HA LYS 30 -6.636 7.063 -11.481 221 1HB LYS 30 2HB LYS 30 -8.251 4.529 -11.409 222 2HB LYS 30 1HB LYS 30 -8.908 5.942 -12.235 223 1HG LYS 30 2HG LYS 30 -6.609 6.068 -13.420 224 2HG LYS 30 1HG LYS 30 -6.384 4.412 -12.855 225 1HD LYS 30 2HD LYS 30 -8.958 5.103 -14.217 226 2HD LYS 30 1HD LYS 30 -7.513 4.903 -15.211 227 1HE LYS 30 2HE LYS 30 -7.533 2.646 -14.942 228 2HE LYS 30 1HE LYS 30 -7.805 2.785 -13.193 229 1HZ LYS 30 1HZ LYS 30 -9.687 1.963 -14.880 230 2HZ LYS 30 2HZ LYS 30 -10.036 2.791 -13.439 231 H ASP 31 H ASP 31 -9.234 5.460 -9.605 232 HA ASP 31 HA ASP 31 -10.039 8.174 -8.608 233 1HB ASP 31 2HB ASP 31 -11.526 6.866 -10.226 234 2HB ASP 31 1HB ASP 31 -11.764 5.705 -8.919 235 H ASP 32 H ASP 32 -8.124 6.135 -7.402 236 HA ASP 32 HA ASP 32 -7.778 5.036 -5.322 237 1HB ASP 32 2HB ASP 32 -7.696 7.436 -4.809 238 2HB ASP 32 1HB ASP 32 -9.449 7.473 -4.623 239 H TRP 33 H TRP 33 -9.555 3.442 -6.392 240 HA TRP 33 HA TRP 33 -12.037 3.409 -4.743 241 1HB TRP 33 2HB TRP 33 -11.712 1.314 -6.743 242 2HB TRP 33 1HB TRP 33 -12.951 2.563 -6.634 243 HD1 TRP 33 HD TRP 33 -9.153 2.617 -7.432 244 HE1 TRP 33 1HE TRP 33 -8.801 4.095 -9.515 245 HE3 TRP 33 3HE TRP 33 -13.989 3.940 -8.403 246 HZ2 TRP 33 2HZ TRP 33 -10.364 5.633 -11.351 247 HZ3 TRP 33 3HZ TRP 33 -14.529 5.409 -10.323 248 HH2 TRP 33 HH TRP 33 -12.725 6.257 -11.798 249 H VAL 34 H VAL 34 -12.650 1.384 -3.682 250 HA VAL 34 HA VAL 34 -10.290 -0.325 -2.963 251 HB VAL 34 HB VAL 34 -12.117 1.263 -1.433 252 1HG1 VAL 34 1HG1 VAL 34 -12.825 -0.520 0.199 253 2HG1 VAL 34 2HG1 VAL 34 -12.312 -1.728 -0.979 254 3HG1 VAL 34 3HG1 VAL 34 -13.634 -0.624 -1.365 255 1HG2 VAL 34 1HG2 VAL 34 -9.723 1.010 -0.970 256 2HG2 VAL 34 2HG2 VAL 34 -9.946 -0.710 -0.649 257 3HG2 VAL 34 3HG2 VAL 34 -10.655 0.489 0.434 258 H ASN 35 H ASN 35 -10.750 -2.601 -2.655 259 HA ASN 35 HA ASN 35 -12.537 -3.787 -4.529 260 1HB ASN 35 2HB ASN 35 -10.633 -4.989 -3.734 261 2HB ASN 35 1HB ASN 35 -11.094 -4.745 -2.048 262 1HD2 ASN 35 1HD2 ASN 35 -13.766 -5.460 -4.108 263 2HD2 ASN 35 2HD2 ASN 35 -13.929 -7.098 -3.696 264 H ALA 36 H ALA 36 -14.720 -3.174 -4.293 265 HA ALA 36 HA ALA 36 -16.289 -2.622 -2.129 266 1HB ALA 36 1HB ALA 36 -17.961 -2.983 -3.633 267 2HB ALA 36 2HB ALA 36 -17.487 -4.663 -3.883 268 3HB ALA 36 3HB ALA 36 -16.660 -3.374 -4.757 269 H THR 37 H THR 37 -14.860 -5.762 -2.838 270 HA THR 37 HA THR 37 -16.481 -7.418 -1.178 271 HB THR 37 HB THR 37 -13.491 -7.602 -1.658 272 HG1 THR 37 1HG THR 37 -15.688 -8.357 -3.282 273 1HG2 THR 37 1HG2 THR 37 -15.672 -9.529 -0.900 274 2HG2 THR 37 2HG2 THR 37 -14.079 -9.318 -0.175 275 3HG2 THR 37 3HG2 THR 37 -14.236 -10.103 -1.745 276 H HIS 38 H HIS 38 -13.558 -5.514 -0.434 277 HA HIS 38 HA HIS 38 -13.371 -6.266 2.338 278 1HB HIS 38 2HB HIS 38 -11.456 -5.250 1.480 279 2HB HIS 38 1HB HIS 38 -12.380 -4.080 0.538 280 HD1 HIS 38 1HD HIS 38 -12.663 -1.805 1.550 281 HD2 HIS 38 2HD HIS 38 -11.545 -4.638 4.396 282 HE1 HIS 38 1HE HIS 38 -12.267 -0.536 3.707 283 H ILE 39 H ILE 39 -15.319 -3.978 0.562 284 HA ILE 39 HA ILE 39 -16.285 -2.598 2.995 285 HB ILE 39 HB ILE 39 -16.390 -2.322 0.034 286 1HG1 ILE 39 2HG1 ILE 39 -16.461 0.175 1.168 287 2HG1 ILE 39 1HG1 ILE 39 -15.668 -0.764 2.433 288 1HG2 ILE 39 1HG2 ILE 39 -18.817 -2.384 1.206 289 2HG2 ILE 39 2HG2 ILE 39 -18.437 -1.305 -0.136 290 3HG2 ILE 39 3HG2 ILE 39 -18.392 -0.702 1.520 291 1HD1 ILE 39 1HD1 ILE 39 -13.839 -0.176 1.121 292 2HD1 ILE 39 2HD1 ILE 39 -14.767 -0.233 -0.378 293 3HD1 ILE 39 3HD1 ILE 39 -14.271 -1.732 0.410 294 H LEU 40 H LEU 40 -17.653 -4.545 0.324 295 HA LEU 40 HA LEU 40 -20.163 -4.962 1.842 296 1HB LEU 40 2HB LEU 40 -19.118 -5.571 -0.925 297 2HB LEU 40 1HB LEU 40 -20.637 -6.267 -0.358 298 HG LEU 40 HG LEU 40 -21.116 -3.743 0.345 299 1HD1 LEU 40 1HD1 LEU 40 -20.104 -2.130 -1.085 300 2HD1 LEU 40 2HD1 LEU 40 -19.413 -3.375 -2.126 301 3HD1 LEU 40 3HD1 LEU 40 -18.773 -3.128 -0.501 302 1HD2 LEU 40 1HD2 LEU 40 -22.485 -3.590 -1.566 303 2HD2 LEU 40 2HD2 LEU 40 -22.245 -5.328 -1.391 304 3HD2 LEU 40 3HD2 LEU 40 -21.313 -4.425 -2.585 305 H LYS 41 H LYS 41 -17.572 -6.959 0.376 306 HA LYS 41 HA LYS 41 -18.502 -9.469 1.430 307 1HB LYS 41 2HB LYS 41 -16.956 -9.897 -0.184 308 2HB LYS 41 1HB LYS 41 -16.186 -8.323 0.031 309 1HG LYS 41 2HG LYS 41 -14.500 -9.323 1.132 310 2HG LYS 41 1HG LYS 41 -15.643 -9.840 2.372 311 1HD LYS 41 2HD LYS 41 -15.540 -11.975 1.664 312 2HD LYS 41 1HD LYS 41 -15.903 -11.492 0.007 313 1HE LYS 41 2HE LYS 41 -13.695 -11.503 -0.612 314 2HE LYS 41 1HE LYS 41 -13.153 -10.867 0.954 315 1HZ LYS 41 1HZ LYS 41 -13.313 -13.562 0.117 316 2HZ LYS 41 2HZ LYS 41 -12.698 -12.937 1.572 317 H ALA 42 H ALA 42 -16.634 -6.850 2.785 318 HA ALA 42 HA ALA 42 -15.390 -8.296 4.955 319 1HB ALA 42 1HB ALA 42 -14.822 -6.007 3.998 320 2HB ALA 42 2HB ALA 42 -14.893 -6.075 5.759 321 3HB ALA 42 3HB ALA 42 -16.238 -5.387 4.847 322 H ALA 43 H ALA 43 -18.601 -7.109 4.384 323 HA ALA 43 HA ALA 43 -19.324 -7.635 7.249 324 1HB ALA 43 1HB ALA 43 -20.227 -5.698 5.142 325 2HB ALA 43 2HB ALA 43 -19.834 -5.397 6.835 326 3HB ALA 43 3HB ALA 43 -21.361 -6.168 6.408 327 H ASN 44 H ASN 44 -19.494 -8.988 4.191 328 HA ASN 44 HA ASN 44 -21.824 -10.662 5.007 329 1HB ASN 44 2HB ASN 44 -23.102 -10.046 3.185 330 2HB ASN 44 1HB ASN 44 -22.202 -8.544 3.397 331 1HD2 ASN 44 1HD2 ASN 44 -20.659 -7.967 1.776 332 2HD2 ASN 44 2HD2 ASN 44 -20.405 -8.888 0.373 333 H PHE 45 H PHE 45 -18.843 -10.233 3.275 334 HA PHE 45 HA PHE 45 -17.329 -11.993 2.651 335 1HB PHE 45 2HB PHE 45 -19.844 -13.602 3.190 336 2HB PHE 45 1HB PHE 45 -18.316 -14.328 2.694 337 HD1 PHE 45 1HD PHE 45 -18.541 -15.575 4.940 338 HD2 PHE 45 2HD PHE 45 -17.932 -11.335 4.635 339 HE1 PHE 45 1HE PHE 45 -17.749 -15.520 7.289 340 HE2 PHE 45 2HE PHE 45 -17.139 -11.279 6.984 341 HZ PHE 45 HZ PHE 45 -17.047 -13.372 8.311 342 H ALA 46 H ALA 46 -17.115 -13.401 0.634 343 HA ALA 46 HA ALA 46 -18.695 -12.182 -1.564 344 1HB ALA 46 1HB ALA 46 -16.062 -12.635 -1.238 345 2HB ALA 46 2HB ALA 46 -16.818 -12.634 -2.832 346 3HB ALA 46 3HB ALA 46 -16.502 -14.160 -2.006 347 H LYS 47 H LYS 47 -20.675 -13.318 -1.387 348 HA LYS 47 HA LYS 47 -20.553 -16.186 -2.238 349 1HB LYS 47 2HB LYS 47 -21.116 -16.265 0.071 350 2HB LYS 47 1HB LYS 47 -22.128 -14.824 -0.045 351 1HG LYS 47 2HG LYS 47 -23.808 -16.007 -1.297 352 2HG LYS 47 1HG LYS 47 -22.759 -17.412 -1.486 353 1HD LYS 47 2HD LYS 47 -22.902 -17.958 0.830 354 2HD LYS 47 1HD LYS 47 -23.610 -16.393 1.230 355 1HE LYS 47 2HE LYS 47 -24.926 -18.832 0.237 356 2HE LYS 47 1HE LYS 47 -25.634 -17.422 1.051 357 1HZ LYS 47 1HZ LYS 47 -25.028 -17.797 -1.809 358 2HZ LYS 47 2HZ LYS 47 -26.445 -17.201 -1.086 359 H ALA 48 H ALA 48 -23.288 -16.563 -2.647 360 HA ALA 48 HA ALA 48 -23.806 -15.339 -5.135 361 1HB ALA 48 1HB ALA 48 -26.304 -15.775 -4.078 362 2HB ALA 48 2HB ALA 48 -25.307 -16.765 -3.011 363 3HB ALA 48 3HB ALA 48 -25.290 -17.051 -4.752 364 H LYS 49 H LYS 49 -24.185 -14.147 -1.881 365 HA LYS 49 HA LYS 49 -25.934 -11.919 -2.439 366 1HB LYS 49 2HB LYS 49 -24.255 -13.004 -0.284 367 2HB LYS 49 1HB LYS 49 -24.319 -11.241 -0.284 368 1HG LYS 49 2HG LYS 49 -26.384 -11.303 0.600 369 2HG LYS 49 1HG LYS 49 -26.957 -12.234 -0.786 370 1HD LYS 49 2HD LYS 49 -26.193 -14.318 0.289 371 2HD LYS 49 1HD LYS 49 -25.612 -13.393 1.675 372 1HE LYS 49 2HE LYS 49 -27.733 -13.044 2.499 373 2HE LYS 49 1HE LYS 49 -28.454 -12.952 0.880 374 1HZ LYS 49 1HZ LYS 49 -27.826 -15.383 0.678 375 2HZ LYS 49 2HZ LYS 49 -27.588 -15.367 2.359 376 H ARG 50 H ARG 50 -22.367 -12.180 -2.061 377 HA ARG 50 HA ARG 50 -21.752 -9.478 -2.723 378 1HB ARG 50 2HB ARG 50 -20.437 -11.790 -1.966 379 2HB ARG 50 1HB ARG 50 -19.841 -11.533 -3.606 380 1HG ARG 50 2HG ARG 50 -18.374 -10.105 -2.617 381 2HG ARG 50 1HG ARG 50 -19.741 -8.990 -2.590 382 1HD ARG 50 2HD ARG 50 -18.592 -10.629 -0.351 383 2HD ARG 50 1HD ARG 50 -19.190 -8.957 -0.332 384 HE ARG 50 HE ARG 50 -20.813 -11.311 0.107 385 1HH1 ARG 50 1HH1 ARG 50 -20.707 -8.189 -1.354 386 1HH2 ARG 50 1HH2 ARG 50 -23.047 -11.000 0.249 387 2HH2 ARG 50 2HH2 ARG 50 -23.742 -9.530 -0.345 388 H THR 51 H THR 51 -22.566 -12.245 -4.731 389 HA THR 51 HA THR 51 -21.527 -11.258 -7.228 390 HB THR 51 HB THR 51 -23.652 -12.829 -7.892 391 HG1 THR 51 1HG THR 51 -23.988 -14.271 -6.221 392 1HG2 THR 51 1HG2 THR 51 -21.377 -13.382 -8.465 393 2HG2 THR 51 2HG2 THR 51 -22.058 -14.763 -7.603 394 3HG2 THR 51 3HG2 THR 51 -20.965 -13.656 -6.771 395 H ARG 52 H ARG 52 -24.608 -10.861 -5.517 396 HA ARG 52 HA ARG 52 -25.663 -9.121 -7.685 397 1HB ARG 52 2HB ARG 52 -26.858 -10.998 -6.253 398 2HB ARG 52 1HB ARG 52 -27.022 -9.702 -5.067 399 1HG ARG 52 2HG ARG 52 -28.239 -8.327 -6.613 400 2HG ARG 52 1HG ARG 52 -27.875 -9.410 -7.956 401 1HD ARG 52 2HD ARG 52 -29.730 -9.901 -5.613 402 2HD ARG 52 1HD ARG 52 -30.089 -10.013 -7.348 403 HE ARG 52 HE ARG 52 -27.997 -11.823 -6.274 404 1HH1 ARG 52 1HH1 ARG 52 -31.188 -11.260 -7.453 405 1HH2 ARG 52 1HH2 ARG 52 -28.387 -14.006 -6.710 406 2HH2 ARG 52 2HH2 ARG 52 -29.916 -14.484 -7.370 407 H ILE 53 H ILE 53 -25.395 -8.919 -4.120 408 HA ILE 53 HA ILE 53 -25.824 -6.203 -3.727 409 HB ILE 53 HB ILE 53 -23.539 -7.631 -2.374 410 1HG1 ILE 53 2HG1 ILE 53 -26.134 -8.745 -2.842 411 2HG1 ILE 53 1HG1 ILE 53 -24.832 -9.400 -1.848 412 1HG2 ILE 53 1HG2 ILE 53 -25.860 -6.020 -1.275 413 2HG2 ILE 53 2HG2 ILE 53 -24.294 -5.326 -1.691 414 3HG2 ILE 53 3HG2 ILE 53 -24.412 -6.526 -0.405 415 1HD1 ILE 53 1HD1 ILE 53 -26.386 -9.126 -0.183 416 2HD1 ILE 53 2HD1 ILE 53 -27.229 -7.835 -1.039 417 3HD1 ILE 53 3HD1 ILE 53 -25.732 -7.488 -0.174 418 H LEU 54 H LEU 54 -22.707 -7.737 -4.607 419 HA LEU 54 HA LEU 54 -21.232 -5.253 -4.781 420 1HB LEU 54 2HB LEU 54 -20.908 -8.089 -5.750 421 2HB LEU 54 1HB LEU 54 -19.751 -6.850 -6.235 422 HG LEU 54 HG LEU 54 -19.080 -6.438 -4.003 423 1HD1 LEU 54 1HD1 LEU 54 -21.546 -6.499 -3.219 424 2HD1 LEU 54 2HD1 LEU 54 -20.314 -7.023 -2.072 425 3HD1 LEU 54 3HD1 LEU 54 -21.274 -8.219 -2.943 426 1HD2 LEU 54 1HD2 LEU 54 -18.413 -8.633 -3.171 427 2HD2 LEU 54 2HD2 LEU 54 -18.312 -8.634 -4.932 428 3HD2 LEU 54 3HD2 LEU 54 -19.674 -9.412 -4.127 429 H GLU 55 H GLU 55 -22.452 -7.436 -7.327 430 HA GLU 55 HA GLU 55 -21.958 -5.839 -9.584 431 1HB GLU 55 2HB GLU 55 -23.355 -8.189 -8.888 432 2HB GLU 55 1HB GLU 55 -24.525 -7.180 -9.740 433 1HG GLU 55 2HG GLU 55 -23.559 -8.078 -11.602 434 2HG GLU 55 1HG GLU 55 -22.336 -6.837 -11.320 435 H LYS 56 H LYS 56 -24.871 -5.833 -7.496 436 HA LYS 56 HA LYS 56 -26.161 -3.675 -8.955 437 1HB LYS 56 2HB LYS 56 -27.819 -3.908 -7.261 438 2HB LYS 56 1HB LYS 56 -27.139 -5.528 -7.429 439 1HG LYS 56 2HG LYS 56 -26.186 -5.481 -5.362 440 2HG LYS 56 1HG LYS 56 -25.725 -3.784 -5.508 441 1HD LYS 56 2HD LYS 56 -28.634 -4.428 -5.267 442 2HD LYS 56 1HD LYS 56 -27.636 -4.545 -3.817 443 1HE LYS 56 2HE LYS 56 -27.048 -2.112 -5.322 444 2HE LYS 56 1HE LYS 56 -28.750 -2.194 -4.825 445 1HZ LYS 56 1HZ LYS 56 -27.926 -1.527 -2.851 446 2HZ LYS 56 2HZ LYS 56 -27.535 -3.169 -2.662 447 H GLU 57 H GLU 57 -24.120 -3.896 -6.060 448 HA GLU 57 HA GLU 57 -24.377 -1.086 -5.350 449 1HB GLU 57 2HB GLU 57 -23.312 -1.867 -3.505 450 2HB GLU 57 1HB GLU 57 -23.381 -3.464 -4.251 451 1HG GLU 57 2HG GLU 57 -21.096 -3.284 -3.949 452 2HG GLU 57 1HG GLU 57 -21.238 -2.554 -5.549 453 H VAL 58 H VAL 58 -21.847 -3.040 -6.962 454 HA VAL 58 HA VAL 58 -20.309 -0.618 -7.643 455 HB VAL 58 HB VAL 58 -19.276 -2.867 -8.968 456 1HG1 VAL 58 1HG1 VAL 58 -18.280 -0.997 -7.398 457 2HG1 VAL 58 2HG1 VAL 58 -17.473 -2.560 -7.525 458 3HG1 VAL 58 3HG1 VAL 58 -18.510 -2.212 -6.141 459 1HG2 VAL 58 1HG2 VAL 58 -19.247 -4.424 -6.854 460 2HG2 VAL 58 2HG2 VAL 58 -20.627 -4.485 -7.950 461 3HG2 VAL 58 3HG2 VAL 58 -20.740 -3.582 -6.439 462 H LEU 59 H LEU 59 -22.139 -3.166 -9.379 463 HA LEU 59 HA LEU 59 -21.723 -2.525 -12.031 464 1HB LEU 59 2HB LEU 59 -23.262 -4.261 -11.189 465 2HB LEU 59 1HB LEU 59 -24.382 -3.010 -10.646 466 HG LEU 59 HG LEU 59 -25.030 -3.965 -12.856 467 1HD1 LEU 59 1HD1 LEU 59 -25.267 -1.775 -14.012 468 2HD1 LEU 59 2HD1 LEU 59 -24.100 -1.075 -12.889 469 3HD1 LEU 59 3HD1 LEU 59 -25.656 -1.656 -12.296 470 1HD2 LEU 59 1HD2 LEU 59 -22.468 -2.657 -13.825 471 2HD2 LEU 59 2HD2 LEU 59 -23.628 -3.560 -14.801 472 3HD2 LEU 59 3HD2 LEU 59 -22.659 -4.395 -13.587 473 H LYS 60 H LYS 60 -23.965 -0.807 -9.825 474 HA LYS 60 HA LYS 60 -24.704 1.205 -11.788 475 1HB LYS 60 2HB LYS 60 -26.203 1.658 -10.142 476 2HB LYS 60 1HB LYS 60 -25.473 0.343 -9.219 477 1HG LYS 60 2HG LYS 60 -23.755 2.010 -8.391 478 2HG LYS 60 1HG LYS 60 -24.733 3.277 -9.132 479 1HD LYS 60 2HD LYS 60 -26.680 2.077 -7.766 480 2HD LYS 60 1HD LYS 60 -25.329 1.570 -6.752 481 1HE LYS 60 2HE LYS 60 -26.384 3.763 -6.038 482 2HE LYS 60 1HE LYS 60 -24.653 3.895 -6.411 483 1HZ LYS 60 1HZ LYS 60 -25.983 4.124 -8.821 484 2HZ LYS 60 2HZ LYS 60 -26.849 5.107 -7.739 485 H GLU 61 H GLU 61 -21.952 0.596 -9.918 486 HA GLU 61 HA GLU 61 -21.021 3.443 -10.105 487 1HB GLU 61 2HB GLU 61 -20.660 1.176 -8.201 488 2HB GLU 61 1HB GLU 61 -19.271 2.239 -8.437 489 1HG GLU 61 2HG GLU 61 -22.065 3.154 -7.694 490 2HG GLU 61 1HG GLU 61 -20.704 3.030 -6.580 491 H THR 62 H THR 62 -18.261 2.841 -9.846 492 HA THR 62 HA THR 62 -17.721 1.635 -12.525 493 HB THR 62 HB THR 62 -15.695 3.143 -10.923 494 HG1 THR 62 1HG THR 62 -17.675 4.279 -10.654 495 1HG2 THR 62 1HG2 THR 62 -14.873 3.738 -13.008 496 2HG2 THR 62 2HG2 THR 62 -16.462 3.662 -13.771 497 3HG2 THR 62 3HG2 THR 62 -15.598 2.175 -13.383 498 H HIS 63 H HIS 63 -18.199 -0.271 -10.566 499 HA HIS 63 HA HIS 63 -15.949 -1.100 -9.014 500 1HB HIS 63 2HB HIS 63 -17.200 -3.162 -8.834 501 2HB HIS 63 1HB HIS 63 -18.371 -1.845 -8.902 502 HD1 HIS 63 1HD HIS 63 -18.894 -1.256 -11.689 503 HD2 HIS 63 2HD HIS 63 -18.025 -5.165 -10.530 504 HE1 HIS 63 1HE HIS 63 -19.789 -2.761 -13.518 505 H GLU 64 H GLU 64 -14.063 -2.106 -9.626 506 HA GLU 64 HA GLU 64 -13.851 -3.054 -12.465 507 1HB GLU 64 2HB GLU 64 -12.056 -1.597 -10.553 508 2HB GLU 64 1HB GLU 64 -11.321 -2.598 -11.806 509 1HG GLU 64 2HG GLU 64 -13.307 -0.348 -12.259 510 2HG GLU 64 1HG GLU 64 -11.580 -0.296 -12.618 511 H LYS 65 H LYS 65 -13.443 -5.220 -12.702 512 HA LYS 65 HA LYS 65 -12.862 -6.859 -10.303 513 1HB LYS 65 2HB LYS 65 -13.797 -8.556 -11.563 514 2HB LYS 65 1HB LYS 65 -14.496 -7.185 -12.426 515 1HG LYS 65 2HG LYS 65 -11.810 -8.316 -13.207 516 2HG LYS 65 1HG LYS 65 -13.309 -8.999 -13.837 517 1HD LYS 65 2HD LYS 65 -13.755 -6.335 -14.232 518 2HD LYS 65 1HD LYS 65 -12.007 -6.418 -14.458 519 1HE LYS 65 2HE LYS 65 -13.683 -8.514 -15.794 520 2HE LYS 65 1HE LYS 65 -13.647 -6.887 -16.503 521 1HZ LYS 65 1HZ LYS 65 -11.190 -6.967 -16.290 522 2HZ LYS 65 2HZ LYS 65 -11.312 -8.599 -15.836 523 H VAL 66 H VAL 66 -10.697 -7.039 -9.779 524 HA VAL 66 HA VAL 66 -8.647 -6.808 -11.901 525 HB VAL 66 HB VAL 66 -8.591 -7.006 -8.878 526 1HG1 VAL 66 1HG1 VAL 66 -6.420 -6.965 -10.941 527 2HG1 VAL 66 2HG1 VAL 66 -6.488 -7.831 -9.407 528 3HG1 VAL 66 3HG1 VAL 66 -6.163 -6.099 -9.428 529 1HG2 VAL 66 1HG2 VAL 66 -8.277 -4.675 -8.889 530 2HG2 VAL 66 2HG2 VAL 66 -9.461 -4.909 -10.175 531 3HG2 VAL 66 3HG2 VAL 66 -7.762 -4.659 -10.576 532 H GLN 67 H GLN 67 -7.639 -8.571 -12.757 533 HA GLN 67 HA GLN 67 -7.545 -11.109 -11.193 534 1HB GLN 67 2HB GLN 67 -9.412 -10.578 -13.183 535 2HB GLN 67 1HB GLN 67 -8.152 -11.465 -14.042 536 1HG GLN 67 2HG GLN 67 -9.771 -13.050 -13.135 537 2HG GLN 67 1HG GLN 67 -8.241 -13.226 -12.276 538 1HE2 GLN 67 1HE2 GLN 67 -10.419 -10.483 -11.705 539 2HE2 GLN 67 2HE2 GLN 67 -10.864 -10.940 -10.132 540 H GLY 68 H GLY 68 -5.855 -12.573 -12.021 541 1HA GLY 68 2HA GLY 68 -3.956 -13.076 -13.417 542 2HA GLY 68 1HA GLY 68 -4.019 -11.432 -14.051 543 H GLY 69 H GLY 69 -4.401 -11.151 -10.776 544 1HA GLY 69 2HA GLY 69 -2.742 -11.131 -8.991 545 2HA GLY 69 1HA GLY 69 -1.475 -11.160 -10.217 546 H PHE 70 H PHE 70 -3.730 -9.017 -11.330 547 HA PHE 70 HA PHE 70 -2.161 -6.712 -10.257 548 1HB PHE 70 2HB PHE 70 -2.289 -6.008 -12.402 549 2HB PHE 70 1HB PHE 70 -3.091 -7.527 -12.799 550 HD1 PHE 70 1HD PHE 70 -3.758 -4.096 -11.468 551 HD2 PHE 70 2HD PHE 70 -5.346 -7.546 -13.474 552 HE1 PHE 70 1HE PHE 70 -5.870 -2.871 -11.903 553 HE2 PHE 70 2HE PHE 70 -7.458 -6.321 -13.908 554 HZ PHE 70 HZ PHE 70 -7.721 -3.983 -13.122 555 H GLY 71 H GLY 71 -3.624 -7.201 -8.213 556 1HA GLY 71 2HA GLY 71 -5.169 -5.931 -6.879 557 2HA GLY 71 1HA GLY 71 -5.916 -5.329 -8.361 558 H LYS 72 H LYS 72 -5.229 -8.727 -8.066 559 HA LYS 72 HA LYS 72 -8.010 -9.433 -8.489 560 1HB LYS 72 2HB LYS 72 -6.976 -11.349 -9.113 561 2HB LYS 72 1HB LYS 72 -5.444 -10.593 -8.675 562 1HG LYS 72 2HG LYS 72 -7.244 -12.119 -6.770 563 2HG LYS 72 1HG LYS 72 -5.761 -12.746 -7.492 564 1HD LYS 72 2HD LYS 72 -6.102 -10.640 -5.387 565 2HD LYS 72 1HD LYS 72 -4.942 -11.965 -5.464 566 1HE LYS 72 2HE LYS 72 -4.500 -10.257 -7.731 567 2HE LYS 72 1HE LYS 72 -4.521 -9.264 -6.259 568 1HZ LYS 72 1HZ LYS 72 -2.586 -10.135 -5.653 569 2HZ LYS 72 2HZ LYS 72 -3.238 -11.703 -5.708 570 H TYR 73 H TYR 73 -6.103 -8.741 -5.712 571 HA TYR 73 HA TYR 73 -7.590 -10.361 -3.798 572 1HB TYR 73 2HB TYR 73 -5.640 -8.057 -3.732 573 2HB TYR 73 1HB TYR 73 -6.428 -8.598 -2.249 574 HD1 TYR 73 1HD TYR 73 -3.396 -8.773 -3.363 575 HD2 TYR 73 2HD TYR 73 -6.649 -11.536 -2.873 576 HE1 TYR 73 1HE TYR 73 -1.779 -10.645 -3.184 577 HE2 TYR 73 2HE TYR 73 -5.031 -13.408 -2.694 578 HH TYR 73 HH TYR 73 -1.969 -13.126 -1.972 579 H GLN 74 H GLN 74 -7.990 -7.286 -5.382 580 HA GLN 74 HA GLN 74 -10.080 -6.384 -3.476 581 1HB GLN 74 2HB GLN 74 -8.926 -5.177 -6.013 582 2HB GLN 74 1HB GLN 74 -9.982 -4.345 -4.872 583 1HG GLN 74 2HG GLN 74 -7.442 -3.951 -4.628 584 2HG GLN 74 1HG GLN 74 -8.340 -4.359 -3.165 585 1HE2 GLN 74 1HE2 GLN 74 -6.417 -5.932 -5.777 586 2HE2 GLN 74 2HE2 GLN 74 -5.822 -7.178 -4.790 587 H GLY 75 H GLY 75 -9.739 -7.231 -6.940 588 1HA GLY 75 2HA GLY 75 -11.336 -8.225 -8.367 589 2HA GLY 75 1HA GLY 75 -12.429 -8.351 -6.988 590 H THR 76 H THR 76 -13.597 -6.373 -6.349 591 HA THR 76 HA THR 76 -14.083 -4.592 -8.710 592 HB THR 76 HB THR 76 -16.190 -4.328 -6.914 593 HG1 THR 76 1HG THR 76 -16.065 -7.034 -7.052 594 1HG2 THR 76 1HG2 THR 76 -16.776 -4.567 -9.144 595 2HG2 THR 76 2HG2 THR 76 -17.197 -6.167 -8.534 596 3HG2 THR 76 3HG2 THR 76 -15.678 -5.923 -9.395 597 H TRP 77 H TRP 77 -12.958 -2.690 -8.392 598 HA TRP 77 HA TRP 77 -12.419 -1.661 -5.695 599 1HB TRP 77 2HB TRP 77 -11.967 -0.064 -8.174 600 2HB TRP 77 1HB TRP 77 -10.886 -0.341 -6.808 601 HD1 TRP 77 HD TRP 77 -10.797 -3.449 -6.742 602 HE1 TRP 77 1HE TRP 77 -9.646 -4.771 -8.633 603 HE3 TRP 77 3HE TRP 77 -10.928 0.045 -10.464 604 HZ2 TRP 77 2HZ TRP 77 -8.882 -4.395 -11.365 605 HZ3 TRP 77 3HZ TRP 77 -9.982 -0.463 -12.698 606 HH2 TRP 77 HH TRP 77 -8.960 -2.675 -13.152 607 H VAL 78 H VAL 78 -13.420 0.123 -4.749 608 HA VAL 78 HA VAL 78 -15.673 1.388 -6.278 609 HB VAL 78 HB VAL 78 -16.366 1.517 -3.607 610 1HG1 VAL 78 1HG1 VAL 78 -17.778 0.836 -5.550 611 2HG1 VAL 78 2HG1 VAL 78 -17.983 -0.229 -4.160 612 3HG1 VAL 78 3HG1 VAL 78 -16.997 -0.746 -5.528 613 1HG2 VAL 78 1HG2 VAL 78 -15.885 -0.606 -2.588 614 2HG2 VAL 78 2HG2 VAL 78 -14.347 0.021 -3.179 615 3HG2 VAL 78 3HG2 VAL 78 -15.191 -1.237 -4.082 616 HA PRO 79 HA PRO 79 -13.770 5.267 -5.504 617 1HB PRO 79 2HB PRO 79 -16.489 6.208 -4.730 618 2HB PRO 79 1HB PRO 79 -15.386 6.847 -5.964 619 1HG PRO 79 2HG PRO 79 -17.570 5.409 -6.586 620 2HG PRO 79 1HG PRO 79 -16.090 5.373 -7.555 621 1HD PRO 79 2HD PRO 79 -17.204 3.314 -5.754 622 2HD PRO 79 1HD PRO 79 -16.127 3.136 -7.155 623 H LEU 80 H LEU 80 -12.589 5.388 -3.614 624 HA LEU 80 HA LEU 80 -13.280 4.489 -1.065 625 1HB LEU 80 2HB LEU 80 -11.372 6.356 -2.303 626 2HB LEU 80 1HB LEU 80 -11.686 6.696 -0.600 627 HG LEU 80 HG LEU 80 -10.999 4.522 0.071 628 1HD1 LEU 80 1HD1 LEU 80 -12.176 3.243 -1.652 629 2HD1 LEU 80 2HD1 LEU 80 -10.487 2.740 -1.592 630 3HD1 LEU 80 3HD1 LEU 80 -11.044 3.812 -2.878 631 1HD2 LEU 80 1HD2 LEU 80 -9.196 6.152 -0.799 632 2HD2 LEU 80 2HD2 LEU 80 -9.118 5.111 -2.220 633 3HD2 LEU 80 3HD2 LEU 80 -8.729 4.460 -0.628 634 H ASN 81 H ASN 81 -14.061 7.609 -2.569 635 HA ASN 81 HA ASN 81 -15.054 8.938 -0.232 636 1HB ASN 81 2HB ASN 81 -14.468 9.911 -2.489 637 2HB ASN 81 1HB ASN 81 -15.956 9.201 -3.118 638 1HD2 ASN 81 1HD2 ASN 81 -16.289 10.147 0.158 639 2HD2 ASN 81 2HD2 ASN 81 -17.079 11.625 -0.108 640 H ILE 82 H ILE 82 -16.511 6.643 -2.491 641 HA ILE 82 HA ILE 82 -19.105 6.832 -1.013 642 HB ILE 82 HB ILE 82 -18.549 6.930 -3.674 643 1HG1 ILE 82 2HG1 ILE 82 -20.917 6.043 -2.077 644 2HG1 ILE 82 1HG1 ILE 82 -20.736 7.450 -3.125 645 1HG2 ILE 82 1HG2 ILE 82 -17.918 4.324 -3.092 646 2HG2 ILE 82 2HG2 ILE 82 -18.425 4.894 -4.682 647 3HG2 ILE 82 3HG2 ILE 82 -19.605 4.175 -3.587 648 1HD1 ILE 82 1HD1 ILE 82 -21.166 6.233 -5.062 649 2HD1 ILE 82 2HD1 ILE 82 -22.211 5.406 -3.907 650 3HD1 ILE 82 3HD1 ILE 82 -20.650 4.709 -4.340 651 H ALA 83 H ALA 83 -16.525 4.626 -2.017 652 HA ALA 83 HA ALA 83 -17.713 2.175 -1.138 653 1HB ALA 83 1HB ALA 83 -15.331 3.109 -2.302 654 2HB ALA 83 2HB ALA 83 -15.758 1.425 -1.998 655 3HB ALA 83 3HB ALA 83 -14.827 2.328 -0.803 656 H LYS 84 H LYS 84 -15.209 4.175 0.514 657 HA LYS 84 HA LYS 84 -15.364 2.790 3.006 658 1HB LYS 84 2HB LYS 84 -14.083 5.077 1.800 659 2HB LYS 84 1HB LYS 84 -14.636 5.501 3.421 660 1HG LYS 84 2HG LYS 84 -13.271 3.941 4.448 661 2HG LYS 84 1HG LYS 84 -13.265 2.869 3.047 662 1HD LYS 84 2HD LYS 84 -11.663 4.163 1.906 663 2HD LYS 84 1HD LYS 84 -11.964 5.583 2.908 664 1HE LYS 84 2HE LYS 84 -10.838 3.017 4.064 665 2HE LYS 84 1HE LYS 84 -9.803 4.314 3.433 666 1HZ LYS 84 1HZ LYS 84 -11.920 4.632 5.496 667 2HZ LYS 84 2HZ LYS 84 -10.955 5.883 4.873 668 H GLN 85 H GLN 85 -17.228 5.488 1.673 669 HA GLN 85 HA GLN 85 -18.492 6.280 4.142 670 1HB GLN 85 2HB GLN 85 -18.429 7.760 2.243 671 2HB GLN 85 1HB GLN 85 -19.179 6.547 1.204 672 1HG GLN 85 2HG GLN 85 -21.081 6.693 3.093 673 2HG GLN 85 1HG GLN 85 -20.424 8.323 3.246 674 1HE2 GLN 85 1HE2 GLN 85 -19.678 7.799 0.163 675 2HE2 GLN 85 2HE2 GLN 85 -21.111 8.269 -0.616 676 H LEU 86 H LEU 86 -19.070 3.725 1.826 677 HA LEU 86 HA LEU 86 -21.783 3.139 2.804 678 1HB LEU 86 2HB LEU 86 -20.653 2.814 0.449 679 2HB LEU 86 1HB LEU 86 -20.071 1.309 1.159 680 HG LEU 86 HG LEU 86 -22.889 1.726 1.739 681 1HD1 LEU 86 1HD1 LEU 86 -22.114 1.461 -1.182 682 2HD1 LEU 86 2HD1 LEU 86 -22.744 2.938 -0.453 683 3HD1 LEU 86 3HD1 LEU 86 -23.750 1.491 -0.523 684 1HD2 LEU 86 1HD2 LEU 86 -21.016 -0.364 1.120 685 2HD2 LEU 86 2HD2 LEU 86 -22.407 -0.513 0.047 686 3HD2 LEU 86 3HD2 LEU 86 -22.638 -0.512 1.796 687 H ALA 87 H ALA 87 -18.544 1.656 2.994 688 HA ALA 87 HA ALA 87 -19.487 -0.380 4.909 689 1HB ALA 87 1HB ALA 87 -17.540 -0.223 2.971 690 2HB ALA 87 2HB ALA 87 -17.581 -1.443 4.244 691 3HB ALA 87 3HB ALA 87 -16.599 0.009 4.445 692 H GLU 88 H GLU 88 -16.855 2.080 4.985 693 HA GLU 88 HA GLU 88 -16.038 2.111 7.544 694 1HB GLU 88 2HB GLU 88 -15.296 4.174 6.976 695 2HB GLU 88 1HB GLU 88 -16.065 3.850 5.430 696 1HG GLU 88 2HG GLU 88 -17.906 5.172 5.903 697 2HG GLU 88 1HG GLU 88 -17.757 4.932 7.644 698 H LYS 89 H LYS 89 -19.328 2.818 6.553 699 HA LYS 89 HA LYS 89 -20.172 4.145 8.981 700 1HB LYS 89 2HB LYS 89 -21.224 3.238 6.452 701 2HB LYS 89 1HB LYS 89 -22.312 2.743 7.748 702 1HG LYS 89 2HG LYS 89 -21.378 5.535 7.068 703 2HG LYS 89 1HG LYS 89 -23.033 4.928 7.138 704 1HD LYS 89 2HD LYS 89 -22.870 4.642 9.555 705 2HD LYS 89 1HD LYS 89 -21.173 5.125 9.525 706 1HE LYS 89 2HE LYS 89 -21.681 7.354 9.325 707 2HE LYS 89 1HE LYS 89 -23.082 7.041 8.282 708 1HZ LYS 89 1HZ LYS 89 -23.408 5.886 10.866 709 2HZ LYS 89 2HZ LYS 89 -23.154 7.561 10.979 710 H PHE 90 H PHE 90 -21.960 1.315 8.142 711 HA PHE 90 HA PHE 90 -21.224 0.073 10.769 712 1HB PHE 90 2HB PHE 90 -23.461 -0.140 11.041 713 2HB PHE 90 1HB PHE 90 -23.663 0.824 9.578 714 HD1 PHE 90 1HD PHE 90 -23.922 -0.278 7.367 715 HD2 PHE 90 2HD PHE 90 -23.756 -2.535 11.019 716 HE1 PHE 90 1HE PHE 90 -24.833 -2.260 6.185 717 HE2 PHE 90 2HE PHE 90 -24.667 -4.515 9.837 718 HZ PHE 90 HZ PHE 90 -25.206 -4.377 7.420 719 H SER 91 H SER 91 -20.588 -0.231 7.527 720 HA SER 91 HA SER 91 -20.902 -3.095 7.175 721 1HB SER 91 2HB SER 91 -20.665 -0.979 5.538 722 2HB SER 91 1HB SER 91 -18.977 -1.480 5.572 723 HG SER 91 HG SER 91 -19.696 -3.580 4.978 724 H VAL 92 H VAL 92 -17.848 -1.264 6.910 725 HA VAL 92 HA VAL 92 -16.525 -3.433 8.508 726 HB VAL 92 HB VAL 92 -14.726 -2.004 6.788 727 1HG1 VAL 92 1HG1 VAL 92 -14.115 -4.192 7.200 728 2HG1 VAL 92 2HG1 VAL 92 -14.917 -4.413 5.646 729 3HG1 VAL 92 3HG1 VAL 92 -15.777 -4.778 7.142 730 1HG2 VAL 92 1HG2 VAL 92 -15.766 -1.886 4.751 731 2HG2 VAL 92 2HG2 VAL 92 -17.219 -1.738 5.740 732 3HG2 VAL 92 3HG2 VAL 92 -16.766 -3.304 5.067 733 H TYR 93 H TYR 93 -17.515 -0.314 8.710 734 HA TYR 93 HA TYR 93 -15.624 1.481 9.413 735 1HB TYR 93 2HB TYR 93 -17.190 2.323 10.979 736 2HB TYR 93 1HB TYR 93 -18.179 1.384 9.862 737 HD1 TYR 93 1HD TYR 93 -18.361 -1.213 10.487 738 HD2 TYR 93 2HD TYR 93 -17.473 1.945 13.261 739 HE1 TYR 93 1HE TYR 93 -19.124 -2.646 12.363 740 HE2 TYR 93 2HE TYR 93 -18.237 0.512 15.135 741 HH TYR 93 HH TYR 93 -20.060 -1.715 15.122 742 H ASP 94 H ASP 94 -16.126 -1.587 11.053 743 HA ASP 94 HA ASP 94 -14.242 -0.895 13.232 744 1HB ASP 94 2HB ASP 94 -16.428 -2.669 12.778 745 2HB ASP 94 1HB ASP 94 -15.012 -3.659 13.134 746 H GLN 95 H GLN 95 -14.484 -3.550 10.829 747 HA GLN 95 HA GLN 95 -11.879 -4.587 11.149 748 1HB GLN 95 2HB GLN 95 -14.143 -4.844 9.431 749 2HB GLN 95 1HB GLN 95 -12.706 -4.741 8.411 750 1HG GLN 95 2HG GLN 95 -11.934 -6.763 9.091 751 2HG GLN 95 1HG GLN 95 -12.357 -6.455 10.776 752 1HE2 GLN 95 1HE2 GLN 95 -15.215 -5.769 9.594 753 2HE2 GLN 95 2HE2 GLN 95 -15.927 -7.304 9.453 754 H LEU 96 H LEU 96 -12.978 -1.826 9.199 755 HA LEU 96 HA LEU 96 -10.311 -1.507 7.971 756 1HB LEU 96 2HB LEU 96 -12.378 0.602 7.737 757 2HB LEU 96 1HB LEU 96 -11.456 -0.211 6.474 758 HG LEU 96 HG LEU 96 -13.812 -1.377 7.985 759 1HD1 LEU 96 1HD1 LEU 96 -13.634 0.294 5.671 760 2HD1 LEU 96 2HD1 LEU 96 -15.072 -0.456 6.365 761 3HD1 LEU 96 3HD1 LEU 96 -14.131 -1.315 5.146 762 1HD2 LEU 96 1HD2 LEU 96 -12.796 -3.339 7.441 763 2HD2 LEU 96 2HD2 LEU 96 -11.685 -2.554 6.319 764 3HD2 LEU 96 3HD2 LEU 96 -13.315 -2.975 5.796 765 H LYS 97 H LYS 97 -10.568 -1.222 10.931 766 HA LYS 97 HA LYS 97 -10.644 1.443 11.843 767 1HB LYS 97 2HB LYS 97 -10.132 -1.045 12.864 768 2HB LYS 97 1HB LYS 97 -8.533 -0.305 12.960 769 1HG LYS 97 2HG LYS 97 -9.548 1.651 14.127 770 2HG LYS 97 1HG LYS 97 -11.103 0.820 14.111 771 1HD LYS 97 2HD LYS 97 -9.413 0.625 16.187 772 2HD LYS 97 1HD LYS 97 -10.459 -0.711 15.705 773 1HE LYS 97 2HE LYS 97 -8.586 -1.574 14.253 774 2HE LYS 97 1HE LYS 97 -7.541 -0.321 14.954 775 1HZ LYS 97 1HZ LYS 97 -8.612 -1.258 17.161 776 2HZ LYS 97 2HZ LYS 97 -8.730 -2.672 16.227 777 HA PRO 98 HA PRO 98 -5.920 1.779 10.985 778 1HB PRO 98 2HB PRO 98 -4.862 -0.222 9.385 779 2HB PRO 98 1HB PRO 98 -4.795 -0.218 11.157 780 1HG PRO 98 2HG PRO 98 -6.606 -1.700 9.337 781 2HG PRO 98 1HG PRO 98 -5.929 -2.181 10.899 782 1HD PRO 98 2HD PRO 98 -8.504 -1.361 10.568 783 2HD PRO 98 1HD PRO 98 -7.599 -1.161 12.084 784 H LEU 99 H LEU 99 -7.195 -0.133 8.221 785 HA LEU 99 HA LEU 99 -6.260 1.282 6.060 786 1HB LEU 99 2HB LEU 99 -7.777 -0.687 6.030 787 2HB LEU 99 1HB LEU 99 -9.116 0.355 6.513 788 HG LEU 99 HG LEU 99 -7.569 0.381 3.921 789 1HD1 LEU 99 1HD1 LEU 99 -10.372 0.746 3.634 790 2HD1 LEU 99 2HD1 LEU 99 -10.141 -0.547 4.812 791 3HD1 LEU 99 3HD1 LEU 99 -9.422 -0.678 3.207 792 1HD2 LEU 99 1HD2 LEU 99 -7.626 2.668 4.211 793 2HD2 LEU 99 2HD2 LEU 99 -8.988 2.597 5.330 794 3HD2 LEU 99 3HD2 LEU 99 -9.263 2.440 3.594 795 H PHE 100 H PHE 100 -8.991 2.250 8.140 796 HA PHE 100 HA PHE 100 -9.598 4.658 6.629 797 1HB PHE 100 2HB PHE 100 -10.307 3.489 9.317 798 2HB PHE 100 1HB PHE 100 -10.854 5.104 8.868 799 HD1 PHE 100 1HD PHE 100 -10.382 2.953 6.048 800 HD2 PHE 100 2HD PHE 100 -13.184 3.994 9.133 801 HE1 PHE 100 1HE PHE 100 -12.221 1.960 4.714 802 HE2 PHE 100 2HE PHE 100 -15.022 3.001 7.799 803 HZ PHE 100 HZ PHE 100 -14.542 1.983 5.589 804 H ASP 101 H ASP 101 -7.612 3.888 9.466 805 HA ASP 101 HA ASP 101 -7.065 6.567 10.316 806 1HB ASP 101 2HB ASP 101 -5.305 4.098 10.464 807 2HB ASP 101 1HB ASP 101 -5.267 5.485 11.554 808 H PHE 102 H PHE 102 -5.659 4.537 7.791 809 HA PHE 102 HA PHE 102 -4.262 5.176 5.980 810 1HB PHE 102 2HB PHE 102 -5.637 7.437 6.768 811 2HB PHE 102 1HB PHE 102 -3.956 7.956 6.896 812 HD1 PHE 102 1HD PHE 102 -3.535 9.281 4.999 813 HD2 PHE 102 2HD PHE 102 -5.560 5.520 4.552 814 HE1 PHE 102 1HE PHE 102 -3.417 9.512 2.532 815 HE2 PHE 102 2HE PHE 102 -5.442 5.750 2.085 816 HZ PHE 102 HZ PHE 102 -4.370 7.746 1.076 817 H THR 103 H THR 103 -2.073 4.801 5.913 818 HA THR 103 HA THR 103 -0.492 5.062 8.380 819 HB THR 103 HB THR 103 0.716 4.291 5.769 820 HG1 THR 103 1HG THR 103 -0.819 2.959 5.317 821 1HG2 THR 103 1HG2 THR 103 1.652 2.499 7.135 822 2HG2 THR 103 2HG2 THR 103 0.591 2.933 8.475 823 3HG2 THR 103 3HG2 THR 103 1.865 4.040 7.964 824 H GLN 104 H GLN 104 -0.526 7.473 8.452 825 HA GLN 104 HA GLN 104 0.882 8.919 6.295 826 1HB GLN 104 2HB GLN 104 0.346 10.859 7.805 827 2HB GLN 104 1HB GLN 104 -1.070 9.899 7.376 828 1HG GLN 104 2HG GLN 104 -1.181 8.882 9.493 829 2HG GLN 104 1HG GLN 104 0.493 9.284 9.875 830 1HE2 GLN 104 1HE2 GLN 104 -1.453 11.771 8.373 831 2HE2 GLN 104 2HE2 GLN 104 -1.671 12.717 9.766 832 H THR 105 H THR 105 2.808 10.236 6.794 833 HA THR 105 HA THR 105 4.853 8.792 8.204 834 HB THR 105 HB THR 105 5.793 10.136 6.613 835 HG1 THR 105 1HG THR 105 6.778 11.056 8.325 836 1HG2 THR 105 1HG2 THR 105 3.229 11.551 6.932 837 2HG2 THR 105 2HG2 THR 105 4.130 11.169 5.465 838 3HG2 THR 105 3HG2 THR 105 4.568 12.582 6.425 839 H ASP 106 H ASP 106 5.880 9.325 10.206 840 HA ASP 106 HA ASP 106 4.115 10.490 12.232 841 1HB ASP 106 2HB ASP 106 6.970 9.456 12.300 842 2HB ASP 106 1HB ASP 106 5.981 9.798 13.720 843 H GLY 107 H GLY 107 5.403 12.193 10.000 844 1HA GLY 107 2HA GLY 107 5.800 14.568 10.142 845 2HA GLY 107 1HA GLY 107 6.323 14.353 11.814 846 H SER 108 H SER 108 7.859 11.888 10.608 847 HA SER 108 HA SER 108 10.360 13.403 10.140 848 1HB SER 108 2HB SER 108 11.277 11.026 10.251 849 2HB SER 108 1HB SER 108 10.427 11.568 11.696 850 HG SER 108 HG SER 108 9.015 10.056 11.362 851 H ALA 109 H ALA 109 11.797 12.548 8.302 852 HA ALA 109 HA ALA 109 11.010 13.031 5.774 853 1HB ALA 109 1HB ALA 109 12.741 11.558 5.061 854 2HB ALA 109 2HB ALA 109 12.452 10.447 6.400 855 3HB ALA 109 3HB ALA 109 13.196 12.017 6.701 856 H SER 110 H SER 110 9.729 12.079 4.147 857 HA SER 110 HA SER 110 7.589 10.317 4.969 858 1HB SER 110 2HB SER 110 6.990 11.736 3.244 859 2HB SER 110 1HB SER 110 8.585 11.667 2.499 860 HG SER 110 HG SER 110 6.396 9.953 2.253 861 HA PRO 111 HA PRO 111 10.368 6.765 4.383 862 1HB PRO 111 2HB PRO 111 8.699 5.053 5.779 863 2HB PRO 111 1HB PRO 111 9.966 6.043 6.528 864 1HG PRO 111 2HG PRO 111 7.038 6.491 6.411 865 2HG PRO 111 1HG PRO 111 8.192 6.882 7.694 866 1HD PRO 111 2HD PRO 111 7.162 8.734 5.982 867 2HD PRO 111 1HD PRO 111 8.755 8.890 6.754 868 HA PRO 112 HA PRO 112 8.203 5.070 0.953 869 1HB PRO 112 2HB PRO 112 9.370 2.557 0.903 870 2HB PRO 112 1HB PRO 112 10.124 4.024 0.248 871 1HG PRO 112 2HG PRO 112 10.624 2.626 2.815 872 2HG PRO 112 1HG PRO 112 11.747 3.499 1.762 873 1HD PRO 112 2HD PRO 112 10.765 4.520 4.090 874 2HD PRO 112 1HD PRO 112 11.268 5.524 2.712 875 HA PRO 113 HA PRO 113 4.837 2.894 2.785 876 1HB PRO 113 2HB PRO 113 3.808 1.809 0.439 877 2HB PRO 113 1HB PRO 113 3.478 3.451 1.024 878 1HG PRO 113 2HG PRO 113 5.358 2.532 -1.075 879 2HG PRO 113 1HG PRO 113 4.421 4.029 -0.971 880 1HD PRO 113 2HD PRO 113 7.087 3.904 -0.468 881 2HD PRO 113 1HD PRO 113 6.005 5.089 0.298 882 H ALA 114 H ALA 114 4.397 0.545 0.528 883 HA ALA 114 HA ALA 114 5.059 -1.670 2.101 884 1HB ALA 114 1HB ALA 114 5.456 -2.554 -0.468 885 2HB ALA 114 2HB ALA 114 4.573 -1.054 -0.747 886 3HB ALA 114 3HB ALA 114 3.869 -2.317 0.263 887 HA PRO 115 HA PRO 115 9.397 -2.275 2.018 888 1HB PRO 115 2HB PRO 115 9.680 -4.851 1.022 889 2HB PRO 115 1HB PRO 115 9.243 -4.463 2.697 890 1HG PRO 115 2HG PRO 115 7.520 -5.325 0.444 891 2HG PRO 115 1HG PRO 115 7.383 -5.674 2.174 892 1HD PRO 115 2HD PRO 115 5.810 -3.869 0.881 893 2HD PRO 115 1HD PRO 115 6.227 -3.747 2.605 894 H LYS 116 H LYS 116 11.248 -2.253 0.577 895 HA LYS 116 HA LYS 116 11.246 -1.017 -1.803 896 1HB LYS 116 2HB LYS 116 12.770 -3.500 -0.980 897 2HB LYS 116 1HB LYS 116 13.181 -2.579 -2.429 898 1HG LYS 116 2HG LYS 116 14.336 -1.119 -1.171 899 2HG LYS 116 1HG LYS 116 12.862 -0.723 -0.286 900 1HD LYS 116 2HD LYS 116 13.959 -1.585 1.508 901 2HD LYS 116 1HD LYS 116 13.521 -3.146 0.814 902 1HE LYS 116 2HE LYS 116 15.706 -2.959 -0.554 903 2HE LYS 116 1HE LYS 116 16.153 -1.674 0.587 904 1HZ LYS 116 1HZ LYS 116 15.187 -3.505 2.253 905 2HZ LYS 116 2HZ LYS 116 15.817 -4.526 1.051 906 H HIS 117 H HIS 117 11.165 -1.658 -4.077 907 HA HIS 117 HA HIS 117 8.922 -3.357 -4.734 908 1HB HIS 117 2HB HIS 117 9.831 -2.864 -7.086 909 2HB HIS 117 1HB HIS 117 9.427 -1.460 -6.098 910 HD1 HIS 117 1HD HIS 117 12.275 -3.198 -7.724 911 HD2 HIS 117 2HD HIS 117 11.738 -0.094 -4.994 912 HE1 HIS 117 1HE HIS 117 14.500 -1.998 -7.557 913 H HIS 118 H HIS 118 8.999 -5.357 -5.950 914 HA HIS 118 HA HIS 118 10.702 -7.377 -5.067 915 1HB HIS 118 2HB HIS 118 10.013 -7.839 -7.814 916 2HB HIS 118 1HB HIS 118 9.230 -8.485 -6.371 917 HD1 HIS 118 1HD HIS 118 8.598 -6.318 -9.193 918 HD2 HIS 118 2HD HIS 118 7.286 -6.460 -5.238 919 HE1 HIS 118 1HE HIS 118 6.497 -4.907 -9.083 920 H HIS 119 H HIS 119 12.508 -8.476 -6.161 921 HA HIS 119 HA HIS 119 14.311 -6.536 -7.537 922 1HB HIS 119 2HB HIS 119 15.307 -9.190 -6.717 923 2HB HIS 119 1HB HIS 119 15.958 -7.590 -6.362 924 HD1 HIS 119 1HD HIS 119 15.867 -7.091 -3.931 925 HD2 HIS 119 2HD HIS 119 12.638 -9.446 -5.119 926 HE1 HIS 119 1HE HIS 119 14.473 -7.494 -1.856 927 H ALA 120 H ALA 120 15.361 -7.145 -9.509 928 HA ALA 120 HA ALA 120 13.845 -8.566 -11.433 929 1HB ALA 120 1HB ALA 120 16.663 -7.596 -11.126 930 2HB ALA 120 2HB ALA 120 15.436 -7.106 -12.294 931 3HB ALA 120 3HB ALA 120 16.286 -8.637 -12.498 932 H SER 121 H SER 121 13.793 -10.730 -12.033 933 HA SER 121 HA SER 121 15.385 -12.629 -10.357 934 1HB SER 121 2HB SER 121 12.666 -12.424 -11.275 935 2HB SER 121 1HB SER 121 13.367 -13.914 -11.898 936 HG SER 121 HG SER 121 12.978 -13.063 -9.252 937 H LYS 122 H LYS 122 17.313 -12.887 -11.533 938 HA LYS 122 HA LYS 122 17.135 -13.432 -14.456 939 1HB LYS 122 2HB LYS 122 19.249 -12.640 -12.472 940 2HB LYS 122 1HB LYS 122 19.735 -13.357 -14.009 941 1HG LYS 122 2HG LYS 122 19.671 -11.140 -14.643 942 2HG LYS 122 1HG LYS 122 17.993 -11.574 -14.966 943 1HD LYS 122 2HD LYS 122 17.479 -10.847 -12.575 944 2HD LYS 122 1HD LYS 122 19.100 -10.152 -12.538 945 1HE LYS 122 2HE LYS 122 16.856 -9.419 -14.452 946 2HE LYS 122 1HE LYS 122 17.584 -8.382 -13.209 947 1HZ LYS 122 1HZ LYS 122 19.274 -9.676 -15.250 948 2HZ LYS 122 2HZ LYS 122 18.471 -8.224 -15.612 949 H VAL 123 H VAL 123 16.439 -15.612 -14.554 950 HA VAL 123 HA VAL 123 17.978 -17.635 -12.991 951 HB VAL 123 HB VAL 123 15.268 -17.259 -13.902 952 1HG1 VAL 123 1HG1 VAL 123 16.786 -19.580 -15.040 953 2HG1 VAL 123 2HG1 VAL 123 15.487 -18.631 -15.764 954 3HG1 VAL 123 3HG1 VAL 123 15.117 -19.830 -14.525 955 1HG2 VAL 123 1HG2 VAL 123 15.562 -17.920 -11.674 956 2HG2 VAL 123 2HG2 VAL 123 16.783 -19.123 -12.091 957 3HG2 VAL 123 3HG2 VAL 123 15.082 -19.436 -12.440 958 H ASP 124 H ASP 124 19.727 -18.464 -14.067 959 HA ASP 124 HA ASP 124 19.795 -18.440 -17.033 960 1HB ASP 124 2HB ASP 124 21.616 -18.011 -14.973 961 2HB ASP 124 1HB ASP 124 22.047 -19.613 -15.573 Start of MODEL 6 1 H SER 2 H SER 2 1.245 -4.898 8.306 2 HA SER 2 HA SER 2 0.081 -7.561 7.551 3 1HB SER 2 2HB SER 2 -0.034 -6.987 10.374 4 2HB SER 2 1HB SER 2 0.808 -8.300 9.556 5 HG SER 2 HG SER 2 2.610 -7.224 9.723 6 H ASN 3 H ASN 3 -0.769 -5.351 10.195 7 HA ASN 3 HA ASN 3 -3.593 -5.419 9.366 8 1HB ASN 3 2HB ASN 3 -1.946 -4.753 11.716 9 2HB ASN 3 1HB ASN 3 -3.349 -3.703 11.513 10 1HD2 ASN 3 1HD2 ASN 3 -5.339 -4.539 12.202 11 2HD2 ASN 3 2HD2 ASN 3 -5.621 -6.171 12.570 12 H GLN 4 H GLN 4 -0.879 -3.186 9.262 13 HA GLN 4 HA GLN 4 -2.294 -0.736 8.870 14 1HB GLN 4 2HB GLN 4 0.294 -1.553 9.119 15 2HB GLN 4 1HB GLN 4 0.238 -1.192 7.394 16 1HG GLN 4 2HG GLN 4 0.844 0.865 8.405 17 2HG GLN 4 1HG GLN 4 -0.882 1.028 8.079 18 1HE2 GLN 4 1HE2 GLN 4 0.716 -0.807 10.726 19 2HE2 GLN 4 2HE2 GLN 4 -0.017 0.069 11.981 20 H ILE 5 H ILE 5 -1.816 0.403 6.538 21 HA ILE 5 HA ILE 5 -3.207 -1.337 4.542 22 HB ILE 5 HB ILE 5 -3.634 1.244 5.549 23 1HG1 ILE 5 2HG1 ILE 5 -4.717 -0.499 3.398 24 2HG1 ILE 5 1HG1 ILE 5 -5.551 0.273 4.748 25 1HG2 ILE 5 1HG2 ILE 5 -3.480 2.524 3.302 26 2HG2 ILE 5 2HG2 ILE 5 -2.325 1.278 2.831 27 3HG2 ILE 5 3HG2 ILE 5 -1.992 2.307 4.224 28 1HD1 ILE 5 1HD1 ILE 5 -4.682 2.412 3.184 29 2HD1 ILE 5 2HD1 ILE 5 -6.326 1.777 3.254 30 3HD1 ILE 5 3HD1 ILE 5 -5.215 1.211 2.007 31 H TYR 6 H TYR 6 -1.247 -2.381 3.750 32 HA TYR 6 HA TYR 6 1.137 -1.071 2.942 33 1HB TYR 6 2HB TYR 6 -0.337 -3.558 2.057 34 2HB TYR 6 1HB TYR 6 1.240 -3.131 1.391 35 HD1 TYR 6 1HD TYR 6 0.292 -5.525 3.288 36 HD2 TYR 6 2HD TYR 6 2.371 -1.817 3.900 37 HE1 TYR 6 1HE TYR 6 1.400 -6.477 5.292 38 HE2 TYR 6 2HE TYR 6 3.478 -2.768 5.904 39 HH TYR 6 HH TYR 6 3.075 -6.170 6.784 40 H SER 7 H SER 7 1.828 -0.469 0.756 41 HA SER 7 HA SER 7 -0.452 0.433 -0.973 42 1HB SER 7 2HB SER 7 2.208 1.574 -0.177 43 2HB SER 7 1HB SER 7 1.497 2.056 -1.715 44 HG SER 7 HG SER 7 -0.348 2.070 0.256 45 H ALA 8 H ALA 8 -0.268 0.065 -3.226 46 HA ALA 8 HA ALA 8 2.155 -1.319 -4.251 47 1HB ALA 8 1HB ALA 8 0.957 -3.220 -3.616 48 2HB ALA 8 2HB ALA 8 0.364 -2.990 -5.261 49 3HB ALA 8 3HB ALA 8 -0.604 -2.447 -3.890 50 H ARG 9 H ARG 9 2.210 -1.314 -6.621 51 HA ARG 9 HA ARG 9 0.107 0.300 -7.980 52 1HB ARG 9 2HB ARG 9 1.533 2.044 -8.458 53 2HB ARG 9 1HB ARG 9 2.313 1.496 -6.974 54 1HG ARG 9 2HG ARG 9 4.141 1.498 -8.392 55 2HG ARG 9 1HG ARG 9 3.561 -0.148 -8.657 56 1HD ARG 9 2HD ARG 9 3.119 0.302 -10.834 57 2HD ARG 9 1HD ARG 9 2.172 1.736 -10.392 58 HE ARG 9 HE ARG 9 5.124 1.959 -10.221 59 1HH1 ARG 9 1HH1 ARG 9 2.134 2.631 -11.800 60 1HH2 ARG 9 1HH2 ARG 9 5.968 3.678 -11.423 61 2HH2 ARG 9 2HH2 ARG 9 4.938 4.543 -12.514 62 H TYR 10 H TYR 10 -0.435 -0.865 -9.773 63 HA TYR 10 HA TYR 10 1.735 -2.115 -11.391 64 1HB TYR 10 2HB TYR 10 0.180 -4.170 -11.488 65 2HB TYR 10 1HB TYR 10 1.045 -3.902 -9.975 66 HD1 TYR 10 1HD TYR 10 -1.733 -1.731 -11.021 67 HD2 TYR 10 2HD TYR 10 -0.602 -5.110 -8.621 68 HE1 TYR 10 1HE TYR 10 -3.893 -1.592 -9.809 69 HE2 TYR 10 2HE TYR 10 -2.762 -4.972 -7.409 70 HH TYR 10 HH TYR 10 -4.564 -3.642 -7.012 71 H SER 11 H SER 11 0.712 -2.977 -13.514 72 HA SER 11 HA SER 11 -0.488 -2.499 -15.490 73 1HB SER 11 2HB SER 11 -2.585 -3.056 -14.868 74 2HB SER 11 1HB SER 11 -2.258 -2.549 -13.213 75 HG SER 11 HG SER 11 -2.873 -0.485 -13.743 76 H GLY 12 H GLY 12 1.281 -0.412 -14.480 77 1HA GLY 12 2HA GLY 12 1.781 1.799 -15.111 78 2HA GLY 12 1HA GLY 12 0.290 1.808 -16.051 79 H VAL 13 H VAL 13 -0.852 0.864 -13.207 80 HA VAL 13 HA VAL 13 -1.126 3.664 -12.153 81 HB VAL 13 HB VAL 13 -3.095 1.455 -12.702 82 1HG1 VAL 13 1HG1 VAL 13 -3.007 2.826 -10.254 83 2HG1 VAL 13 2HG1 VAL 13 -4.376 1.925 -10.906 84 3HG1 VAL 13 3HG1 VAL 13 -4.241 3.659 -11.197 85 1HG2 VAL 13 1HG2 VAL 13 -4.384 3.366 -13.625 86 2HG2 VAL 13 2HG2 VAL 13 -2.787 3.244 -14.364 87 3HG2 VAL 13 3HG2 VAL 13 -3.095 4.462 -13.126 88 H ASP 14 H ASP 14 -0.586 3.858 -9.996 89 HA ASP 14 HA ASP 14 0.287 1.495 -8.515 90 1HB ASP 14 2HB ASP 14 1.393 3.072 -7.285 91 2HB ASP 14 1HB ASP 14 0.955 4.143 -8.616 92 H VAL 15 H VAL 15 -0.557 1.010 -6.327 93 HA VAL 15 HA VAL 15 -3.308 1.953 -5.725 94 HB VAL 15 HB VAL 15 -4.042 -0.460 -5.612 95 1HG1 VAL 15 1HG1 VAL 15 -3.113 -0.202 -8.399 96 2HG1 VAL 15 2HG1 VAL 15 -3.916 1.236 -7.769 97 3HG1 VAL 15 3HG1 VAL 15 -4.755 -0.314 -7.766 98 1HG2 VAL 15 1HG2 VAL 15 -2.589 -2.078 -6.886 99 2HG2 VAL 15 2HG2 VAL 15 -1.880 -1.532 -5.366 100 3HG2 VAL 15 3HG2 VAL 15 -1.321 -0.852 -6.895 101 H TYR 16 H TYR 16 -4.021 0.646 -3.601 102 HA TYR 16 HA TYR 16 -1.638 0.582 -1.780 103 1HB TYR 16 2HB TYR 16 -4.469 1.025 -0.880 104 2HB TYR 16 1HB TYR 16 -2.973 1.655 -0.190 105 HD1 TYR 16 1HD TYR 16 -1.543 3.071 -2.064 106 HD2 TYR 16 2HD TYR 16 -5.812 2.609 -1.923 107 HE1 TYR 16 1HE TYR 16 -1.812 5.156 -3.378 108 HE2 TYR 16 2HE TYR 16 -6.081 4.695 -3.237 109 HH TYR 16 HH TYR 16 -3.479 6.202 -4.844 110 H GLU 17 H GLU 17 -1.540 -1.175 -0.281 111 HA GLU 17 HA GLU 17 -3.515 -3.378 -0.797 112 1HB GLU 17 2HB GLU 17 -0.707 -3.812 0.177 113 2HB GLU 17 1HB GLU 17 -1.717 -4.871 -0.808 114 1HG GLU 17 2HG GLU 17 -1.572 -3.003 -2.599 115 2HG GLU 17 1HG GLU 17 -0.215 -2.396 -1.651 116 H PHE 18 H PHE 18 -4.731 -3.838 0.986 117 HA PHE 18 HA PHE 18 -3.474 -3.557 3.687 118 1HB PHE 18 2HB PHE 18 -6.289 -2.879 3.672 119 2HB PHE 18 1HB PHE 18 -4.922 -1.895 4.194 120 HD1 PHE 18 1HD PHE 18 -3.339 -1.455 1.841 121 HD2 PHE 18 2HD PHE 18 -7.615 -1.641 2.201 122 HE1 PHE 18 1HE PHE 18 -3.571 -0.052 -0.191 123 HE2 PHE 18 2HE PHE 18 -7.847 -0.238 0.169 124 HZ PHE 18 HZ PHE 18 -5.825 0.556 -1.027 125 H ILE 19 H ILE 19 -4.018 -5.258 5.063 126 HA ILE 19 HA ILE 19 -5.489 -7.528 3.913 127 HB ILE 19 HB ILE 19 -4.378 -7.181 6.709 128 1HG1 ILE 19 2HG1 ILE 19 -2.563 -6.519 5.320 129 2HG1 ILE 19 1HG1 ILE 19 -2.284 -8.231 5.633 130 1HG2 ILE 19 1HG2 ILE 19 -5.494 -9.236 6.597 131 2HG2 ILE 19 2HG2 ILE 19 -3.847 -9.687 6.155 132 3HG2 ILE 19 3HG2 ILE 19 -5.072 -9.484 4.902 133 1HD1 ILE 19 1HD1 ILE 19 -3.941 -8.205 3.383 134 2HD1 ILE 19 2HD1 ILE 19 -2.205 -8.518 3.397 135 3HD1 ILE 19 3HD1 ILE 19 -2.805 -6.885 3.104 136 H HIS 20 H HIS 20 -7.617 -7.975 4.310 137 HA HIS 20 HA HIS 20 -8.916 -6.919 6.765 138 1HB HIS 20 2HB HIS 20 -9.732 -6.287 3.911 139 2HB HIS 20 1HB HIS 20 -10.720 -5.920 5.325 140 HD1 HIS 20 1HD HIS 20 -10.401 -3.598 6.147 141 HD2 HIS 20 2HD HIS 20 -6.932 -5.065 4.361 142 HE1 HIS 20 1HE HIS 20 -8.694 -1.731 6.259 143 H SER 21 H SER 21 -11.534 -7.469 5.256 144 HA SER 21 HA SER 21 -11.938 -10.170 6.120 145 1HB SER 21 2HB SER 21 -13.993 -9.813 4.517 146 2HB SER 21 1HB SER 21 -13.841 -8.808 5.955 147 HG SER 21 HG SER 21 -12.763 -7.263 4.586 148 H THR 22 H THR 22 -11.160 -8.758 2.952 149 HA THR 22 HA THR 22 -11.092 -11.460 1.710 150 HB THR 22 HB THR 22 -11.443 -8.662 0.897 151 HG1 THR 22 1HG THR 22 -11.935 -10.737 -0.842 152 1HG2 THR 22 1HG2 THR 22 -9.761 -10.468 -0.861 153 2HG2 THR 22 2HG2 THR 22 -9.143 -9.075 0.026 154 3HG2 THR 22 3HG2 THR 22 -10.326 -8.846 -1.261 155 H GLY 23 H GLY 23 -9.075 -9.962 3.667 156 1HA GLY 23 2HA GLY 23 -6.766 -10.554 3.982 157 2HA GLY 23 1HA GLY 23 -6.668 -10.978 2.271 158 H SER 24 H SER 24 -5.477 -9.556 1.111 159 HA SER 24 HA SER 24 -4.982 -6.837 2.157 160 1HB SER 24 2HB SER 24 -2.999 -7.465 1.253 161 2HB SER 24 1HB SER 24 -3.750 -8.801 0.386 162 HG SER 24 HG SER 24 -3.324 -6.143 -0.400 163 H ILE 25 H ILE 25 -5.686 -4.947 1.129 164 HA ILE 25 HA ILE 25 -7.661 -5.323 -1.097 165 HB ILE 25 HB ILE 25 -7.434 -3.347 1.189 166 1HG1 ILE 25 2HG1 ILE 25 -9.953 -4.775 0.648 167 2HG1 ILE 25 1HG1 ILE 25 -8.605 -5.838 1.055 168 1HG2 ILE 25 1HG2 ILE 25 -8.684 -3.056 -1.429 169 2HG2 ILE 25 2HG2 ILE 25 -8.456 -1.852 -0.160 170 3HG2 ILE 25 3HG2 ILE 25 -9.860 -2.919 -0.123 171 1HD1 ILE 25 1HD1 ILE 25 -9.489 -3.437 2.682 172 2HD1 ILE 25 2HD1 ILE 25 -8.167 -4.530 3.091 173 3HD1 ILE 25 3HD1 ILE 25 -9.829 -5.120 3.084 174 H MET 26 H MET 26 -7.009 -4.453 -3.021 175 HA MET 26 HA MET 26 -4.825 -2.406 -2.986 176 1HB MET 26 2HB MET 26 -4.870 -4.784 -4.194 177 2HB MET 26 1HB MET 26 -5.721 -3.867 -5.438 178 1HG MET 26 2HG MET 26 -3.809 -2.893 -6.122 179 2HG MET 26 1HG MET 26 -3.419 -2.389 -4.479 180 1HE MET 26 1HE MET 26 -0.203 -4.134 -5.832 181 2HE MET 26 2HE MET 26 -1.040 -2.615 -5.522 182 3HE MET 26 3HE MET 26 -1.425 -3.545 -6.967 183 H LYS 27 H LYS 27 -5.423 -0.347 -3.486 184 HA LYS 27 HA LYS 27 -8.091 0.138 -4.709 185 1HB LYS 27 2HB LYS 27 -6.142 1.552 -2.972 186 2HB LYS 27 1HB LYS 27 -7.071 2.574 -4.070 187 1HG LYS 27 2HG LYS 27 -8.790 2.458 -2.623 188 2HG LYS 27 1HG LYS 27 -8.922 0.739 -3.001 189 1HD LYS 27 2HD LYS 27 -7.651 0.097 -1.146 190 2HD LYS 27 1HD LYS 27 -6.874 1.675 -1.009 191 1HE LYS 27 2HE LYS 27 -9.500 2.365 -0.647 192 2HE LYS 27 1HE LYS 27 -9.454 0.758 0.106 193 1HZ LYS 27 1HZ LYS 27 -7.366 1.476 1.225 194 2HZ LYS 27 2HZ LYS 27 -7.649 3.052 0.657 195 H ARG 28 H ARG 28 -8.320 1.394 -6.624 196 HA ARG 28 HA ARG 28 -6.094 1.222 -8.520 197 1HB ARG 28 2HB ARG 28 -8.983 2.020 -8.495 198 2HB ARG 28 1HB ARG 28 -7.986 2.538 -9.855 199 1HG ARG 28 2HG ARG 28 -7.316 0.210 -10.273 200 2HG ARG 28 1HG ARG 28 -8.276 -0.324 -8.893 201 1HD ARG 28 2HD ARG 28 -9.821 -0.676 -10.596 202 2HD ARG 28 1HD ARG 28 -10.197 1.017 -10.215 203 HE ARG 28 HE ARG 28 -8.094 1.179 -12.025 204 1HH1 ARG 28 1HH1 ARG 28 -11.207 -0.299 -11.919 205 1HH2 ARG 28 1HH2 ARG 28 -8.421 1.348 -14.255 206 2HH2 ARG 28 2HH2 ARG 28 -9.893 0.756 -14.949 207 H LYS 29 H LYS 29 -4.732 2.893 -9.090 208 HA LYS 29 HA LYS 29 -4.580 5.283 -7.499 209 1HB LYS 29 2HB LYS 29 -2.600 4.408 -8.458 210 2HB LYS 29 1HB LYS 29 -3.335 4.281 -10.057 211 1HG LYS 29 2HG LYS 29 -3.325 7.009 -8.928 212 2HG LYS 29 1HG LYS 29 -1.724 6.350 -9.267 213 1HD LYS 29 2HD LYS 29 -2.019 6.601 -11.485 214 2HD LYS 29 1HD LYS 29 -3.553 5.734 -11.427 215 1HE LYS 29 2HE LYS 29 -4.480 7.754 -11.961 216 2HE LYS 29 1HE LYS 29 -4.195 8.164 -10.258 217 1HZ LYS 29 1HZ LYS 29 -1.759 8.384 -11.577 218 2HZ LYS 29 2HZ LYS 29 -2.898 9.191 -12.546 219 H LYS 30 H LYS 30 -5.632 4.737 -10.879 220 HA LYS 30 HA LYS 30 -6.166 7.306 -11.750 221 1HB LYS 30 2HB LYS 30 -7.593 4.667 -12.030 222 2HB LYS 30 1HB LYS 30 -8.231 6.103 -12.832 223 1HG LYS 30 2HG LYS 30 -5.426 4.996 -13.156 224 2HG LYS 30 1HG LYS 30 -6.726 4.874 -14.341 225 1HD LYS 30 2HD LYS 30 -6.785 7.519 -14.016 226 2HD LYS 30 1HD LYS 30 -5.106 7.256 -13.543 227 1HE LYS 30 2HE LYS 30 -4.908 5.857 -15.717 228 2HE LYS 30 1HE LYS 30 -6.419 6.655 -16.198 229 1HZ LYS 30 1HZ LYS 30 -4.518 8.441 -14.998 230 2HZ LYS 30 2HZ LYS 30 -3.938 7.739 -16.432 231 H ASP 31 H ASP 31 -8.682 5.307 -10.158 232 HA ASP 31 HA ASP 31 -9.871 7.851 -9.093 233 1HB ASP 31 2HB ASP 31 -11.805 7.118 -10.000 234 2HB ASP 31 1HB ASP 31 -10.901 5.793 -10.733 235 H ASP 32 H ASP 32 -7.841 5.783 -7.934 236 HA ASP 32 HA ASP 32 -7.534 4.602 -5.892 237 1HB ASP 32 2HB ASP 32 -8.844 6.178 -4.095 238 2HB ASP 32 1HB ASP 32 -7.310 6.627 -4.841 239 H TRP 33 H TRP 33 -9.307 3.064 -7.084 240 HA TRP 33 HA TRP 33 -11.926 2.993 -5.778 241 1HB TRP 33 2HB TRP 33 -10.663 0.752 -7.342 242 2HB TRP 33 1HB TRP 33 -12.346 1.274 -7.325 243 HD1 TRP 33 HD TRP 33 -10.095 4.188 -7.590 244 HE1 TRP 33 1HE TRP 33 -10.006 5.047 -10.016 245 HE3 TRP 33 3HE TRP 33 -12.346 0.284 -9.993 246 HZ2 TRP 33 2HZ TRP 33 -10.789 4.197 -12.632 247 HZ3 TRP 33 3HZ TRP 33 -12.663 0.336 -12.450 248 HH2 TRP 33 HH TRP 33 -11.887 2.286 -13.771 249 H VAL 34 H VAL 34 -12.637 1.118 -4.467 250 HA VAL 34 HA VAL 34 -10.377 -0.173 -2.971 251 HB VAL 34 HB VAL 34 -11.222 1.041 -1.248 252 1HG1 VAL 34 1HG1 VAL 34 -13.778 1.401 -2.843 253 2HG1 VAL 34 2HG1 VAL 34 -12.386 2.482 -2.916 254 3HG1 VAL 34 3HG1 VAL 34 -13.299 2.321 -1.416 255 1HG2 VAL 34 1HG2 VAL 34 -12.279 -0.649 -0.168 256 2HG2 VAL 34 2HG2 VAL 34 -13.014 -1.244 -1.656 257 3HG2 VAL 34 3HG2 VAL 34 -13.776 0.070 -0.760 258 H ASN 35 H ASN 35 -10.742 -2.380 -2.363 259 HA ASN 35 HA ASN 35 -12.377 -3.941 -4.149 260 1HB ASN 35 2HB ASN 35 -11.693 -5.750 -2.442 261 2HB ASN 35 1HB ASN 35 -10.383 -4.883 -3.245 262 1HD2 ASN 35 1HD2 ASN 35 -12.382 -3.416 -0.699 263 2HD2 ASN 35 2HD2 ASN 35 -11.143 -3.320 0.457 264 H ALA 36 H ALA 36 -14.595 -3.425 -3.951 265 HA ALA 36 HA ALA 36 -16.109 -2.843 -1.689 266 1HB ALA 36 1HB ALA 36 -16.506 -3.530 -4.372 267 2HB ALA 36 2HB ALA 36 -17.753 -3.005 -3.240 268 3HB ALA 36 3HB ALA 36 -17.445 -4.726 -3.477 269 H THR 37 H THR 37 -14.704 -5.939 -2.576 270 HA THR 37 HA THR 37 -16.343 -7.687 -1.026 271 HB THR 37 HB THR 37 -13.358 -7.811 -1.575 272 HG1 THR 37 1HG THR 37 -14.376 -7.571 -3.504 273 1HG2 THR 37 1HG2 THR 37 -13.448 -10.049 -1.031 274 2HG2 THR 37 2HG2 THR 37 -15.147 -10.198 -1.480 275 3HG2 THR 37 3HG2 THR 37 -14.702 -9.447 0.053 276 H HIS 38 H HIS 38 -13.410 -5.849 -0.160 277 HA HIS 38 HA HIS 38 -13.275 -6.766 2.575 278 1HB HIS 38 2HB HIS 38 -12.326 -4.154 1.350 279 2HB HIS 38 1HB HIS 38 -11.666 -4.949 2.779 280 HD1 HIS 38 1HD HIS 38 -12.070 -5.556 -0.956 281 HD2 HIS 38 2HD HIS 38 -9.688 -6.822 2.223 282 HE1 HIS 38 1HE HIS 38 -10.260 -7.020 -1.955 283 H ILE 39 H ILE 39 -15.077 -4.278 0.900 284 HA ILE 39 HA ILE 39 -16.011 -3.002 3.402 285 HB ILE 39 HB ILE 39 -16.105 -2.548 0.452 286 1HG1 ILE 39 2HG1 ILE 39 -15.965 -0.130 1.793 287 2HG1 ILE 39 1HG1 ILE 39 -15.150 -1.237 2.899 288 1HG2 ILE 39 1HG2 ILE 39 -18.427 -2.341 0.781 289 2HG2 ILE 39 2HG2 ILE 39 -17.839 -0.691 0.982 290 3HG2 ILE 39 3HG2 ILE 39 -18.230 -1.666 2.398 291 1HD1 ILE 39 1HD1 ILE 39 -13.722 -0.112 1.050 292 2HD1 ILE 39 2HD1 ILE 39 -14.513 -1.241 -0.048 293 3HD1 ILE 39 3HD1 ILE 39 -13.537 -1.849 1.289 294 H LEU 40 H LEU 40 -17.442 -4.683 0.588 295 HA LEU 40 HA LEU 40 -19.984 -5.087 2.055 296 1HB LEU 40 2HB LEU 40 -18.976 -5.061 -0.698 297 2HB LEU 40 1HB LEU 40 -20.086 -6.400 -0.398 298 HG LEU 40 HG LEU 40 -21.413 -4.512 -1.099 299 1HD1 LEU 40 1HD1 LEU 40 -22.599 -5.651 0.573 300 2HD1 LEU 40 2HD1 LEU 40 -22.606 -3.992 1.170 301 3HD1 LEU 40 3HD1 LEU 40 -21.472 -5.165 1.839 302 1HD2 LEU 40 1HD2 LEU 40 -19.650 -3.057 0.848 303 2HD2 LEU 40 2HD2 LEU 40 -21.274 -2.442 0.541 304 3HD2 LEU 40 3HD2 LEU 40 -20.123 -2.595 -0.787 305 H LYS 41 H LYS 41 -17.521 -7.115 0.413 306 HA LYS 41 HA LYS 41 -18.573 -9.628 1.354 307 1HB LYS 41 2HB LYS 41 -16.120 -8.551 0.048 308 2HB LYS 41 1HB LYS 41 -15.969 -10.128 0.824 309 1HG LYS 41 2HG LYS 41 -16.639 -10.568 -1.431 310 2HG LYS 41 1HG LYS 41 -18.079 -10.807 -0.439 311 1HD LYS 41 2HD LYS 41 -17.399 -8.271 -1.960 312 2HD LYS 41 1HD LYS 41 -18.594 -9.470 -2.455 313 1HE LYS 41 2HE LYS 41 -19.049 -8.660 0.301 314 2HE LYS 41 1HE LYS 41 -19.068 -7.260 -0.790 315 1HZ LYS 41 1HZ LYS 41 -21.058 -7.941 -1.473 316 2HZ LYS 41 2HZ LYS 41 -20.310 -9.302 -2.161 317 H ALA 42 H ALA 42 -16.489 -7.205 2.750 318 HA ALA 42 HA ALA 42 -15.221 -8.817 4.774 319 1HB ALA 42 1HB ALA 42 -14.979 -6.495 5.842 320 2HB ALA 42 2HB ALA 42 -15.901 -5.880 4.470 321 3HB ALA 42 3HB ALA 42 -14.341 -6.659 4.205 322 H ALA 43 H ALA 43 -18.389 -7.387 4.453 323 HA ALA 43 HA ALA 43 -19.070 -8.347 7.215 324 1HB ALA 43 1HB ALA 43 -20.866 -6.346 6.654 325 2HB ALA 43 2HB ALA 43 -19.427 -5.773 5.809 326 3HB ALA 43 3HB ALA 43 -19.359 -6.105 7.540 327 H ASN 44 H ASN 44 -19.456 -9.124 4.079 328 HA ASN 44 HA ASN 44 -22.210 -10.191 4.550 329 1HB ASN 44 2HB ASN 44 -22.882 -9.407 2.350 330 2HB ASN 44 1HB ASN 44 -22.204 -8.038 3.233 331 1HD2 ASN 44 1HD2 ASN 44 -21.304 -6.858 1.474 332 2HD2 ASN 44 2HD2 ASN 44 -20.097 -7.477 0.455 333 H PHE 45 H PHE 45 -19.196 -11.124 4.223 334 HA PHE 45 HA PHE 45 -18.060 -12.911 3.141 335 1HB PHE 45 2HB PHE 45 -20.885 -13.789 3.743 336 2HB PHE 45 1HB PHE 45 -19.715 -14.920 3.064 337 HD1 PHE 45 1HD PHE 45 -21.135 -14.149 6.033 338 HD2 PHE 45 2HD PHE 45 -17.212 -14.347 4.295 339 HE1 PHE 45 1HE PHE 45 -20.155 -14.488 8.285 340 HE2 PHE 45 2HE PHE 45 -16.232 -14.687 6.547 341 HZ PHE 45 HZ PHE 45 -17.703 -14.758 8.542 342 H ALA 46 H ALA 46 -17.687 -13.833 1.069 343 HA ALA 46 HA ALA 46 -19.138 -12.576 -1.150 344 1HB ALA 46 1HB ALA 46 -17.288 -13.273 -2.387 345 2HB ALA 46 2HB ALA 46 -17.102 -14.760 -1.455 346 3HB ALA 46 3HB ALA 46 -16.587 -13.218 -0.769 347 H LYS 47 H LYS 47 -21.224 -13.505 -1.077 348 HA LYS 47 HA LYS 47 -21.373 -16.306 -2.091 349 1HB LYS 47 2HB LYS 47 -22.466 -15.117 0.424 350 2HB LYS 47 1HB LYS 47 -23.499 -16.259 -0.437 351 1HG LYS 47 2HG LYS 47 -22.287 -17.987 0.333 352 2HG LYS 47 1HG LYS 47 -20.820 -17.297 -0.359 353 1HD LYS 47 2HD LYS 47 -20.625 -15.819 1.651 354 2HD LYS 47 1HD LYS 47 -22.010 -16.655 2.354 355 1HE LYS 47 2HE LYS 47 -19.209 -17.578 2.063 356 2HE LYS 47 1HE LYS 47 -20.448 -18.077 3.231 357 1HZ LYS 47 1HZ LYS 47 -21.482 -19.448 1.657 358 2HZ LYS 47 2HZ LYS 47 -20.632 -18.760 0.357 359 H ALA 48 H ALA 48 -24.150 -16.461 -2.323 360 HA ALA 48 HA ALA 48 -24.751 -14.967 -4.637 361 1HB ALA 48 1HB ALA 48 -27.002 -15.715 -4.244 362 2HB ALA 48 2HB ALA 48 -26.751 -15.764 -2.499 363 3HB ALA 48 3HB ALA 48 -25.966 -16.954 -3.537 364 H LYS 49 H LYS 49 -24.745 -14.064 -1.285 365 HA LYS 49 HA LYS 49 -26.389 -11.693 -1.460 366 1HB LYS 49 2HB LYS 49 -24.544 -13.046 0.408 367 2HB LYS 49 1HB LYS 49 -24.588 -11.292 0.587 368 1HG LYS 49 2HG LYS 49 -26.607 -13.273 1.305 369 2HG LYS 49 1HG LYS 49 -26.472 -11.584 1.796 370 1HD LYS 49 2HD LYS 49 -28.534 -11.858 0.540 371 2HD LYS 49 1HD LYS 49 -27.404 -10.920 -0.436 372 1HE LYS 49 2HE LYS 49 -27.985 -12.466 -2.047 373 2HE LYS 49 1HE LYS 49 -26.748 -13.445 -1.233 374 1HZ LYS 49 1HZ LYS 49 -28.843 -13.825 0.371 375 2HZ LYS 49 2HZ LYS 49 -29.644 -13.658 -1.118 376 H ARG 50 H ARG 50 -22.824 -12.189 -1.447 377 HA ARG 50 HA ARG 50 -22.109 -9.473 -1.951 378 1HB ARG 50 2HB ARG 50 -20.355 -10.826 -1.259 379 2HB ARG 50 1HB ARG 50 -20.891 -12.192 -2.237 380 1HG ARG 50 2HG ARG 50 -19.656 -9.645 -3.327 381 2HG ARG 50 1HG ARG 50 -18.813 -11.183 -3.141 382 1HD ARG 50 2HD ARG 50 -20.739 -12.171 -4.594 383 2HD ARG 50 1HD ARG 50 -21.042 -10.483 -5.052 384 HE ARG 50 HE ARG 50 -19.061 -10.575 -6.326 385 1HH1 ARG 50 1HH1 ARG 50 -19.040 -12.885 -3.767 386 1HH2 ARG 50 1HH2 ARG 50 -17.058 -11.439 -6.917 387 2HH2 ARG 50 2HH2 ARG 50 -16.383 -12.739 -5.992 388 H THR 51 H THR 51 -23.260 -12.023 -4.074 389 HA THR 51 HA THR 51 -22.370 -10.906 -6.575 390 HB THR 51 HB THR 51 -24.770 -12.637 -5.880 391 HG1 THR 51 1HG THR 51 -22.202 -13.429 -6.762 392 1HG2 THR 51 1HG2 THR 51 -24.702 -13.357 -8.180 393 2HG2 THR 51 2HG2 THR 51 -23.223 -12.441 -8.476 394 3HG2 THR 51 3HG2 THR 51 -24.741 -11.593 -8.177 395 H ARG 52 H ARG 52 -25.257 -10.446 -4.566 396 HA ARG 52 HA ARG 52 -26.428 -8.560 -6.537 397 1HB ARG 52 2HB ARG 52 -27.340 -10.342 -4.521 398 2HB ARG 52 1HB ARG 52 -27.778 -8.718 -3.989 399 1HG ARG 52 2HG ARG 52 -28.916 -8.276 -6.087 400 2HG ARG 52 1HG ARG 52 -28.361 -9.812 -6.755 401 1HD ARG 52 2HD ARG 52 -30.338 -10.654 -5.995 402 2HD ARG 52 1HD ARG 52 -29.606 -10.566 -4.380 403 HE ARG 52 HE ARG 52 -31.220 -8.346 -5.584 404 1HH1 ARG 52 1HH1 ARG 52 -29.942 -10.171 -2.953 405 1HH2 ARG 52 1HH2 ARG 52 -32.329 -7.153 -4.018 406 2HH2 ARG 52 2HH2 ARG 52 -32.138 -7.557 -2.345 407 H ILE 53 H ILE 53 -25.818 -8.442 -3.015 408 HA ILE 53 HA ILE 53 -25.951 -5.701 -2.578 409 HB ILE 53 HB ILE 53 -25.442 -7.709 -1.014 410 1HG1 ILE 53 2HG1 ILE 53 -23.768 -5.254 -0.466 411 2HG1 ILE 53 1HG1 ILE 53 -25.530 -5.182 -0.454 412 1HG2 ILE 53 1HG2 ILE 53 -22.849 -7.574 -0.496 413 2HG2 ILE 53 2HG2 ILE 53 -22.756 -7.067 -2.183 414 3HG2 ILE 53 3HG2 ILE 53 -23.449 -8.635 -1.770 415 1HD1 ILE 53 1HD1 ILE 53 -25.229 -7.340 1.096 416 2HD1 ILE 53 2HD1 ILE 53 -25.179 -5.708 1.763 417 3HD1 ILE 53 3HD1 ILE 53 -23.678 -6.572 1.429 418 H LEU 54 H LEU 54 -23.028 -7.511 -3.610 419 HA LEU 54 HA LEU 54 -21.370 -5.169 -3.938 420 1HB LEU 54 2HB LEU 54 -21.059 -7.896 -3.909 421 2HB LEU 54 1HB LEU 54 -20.868 -7.544 -5.627 422 HG LEU 54 HG LEU 54 -19.431 -5.557 -4.170 423 1HD1 LEU 54 1HD1 LEU 54 -17.723 -7.320 -3.230 424 2HD1 LEU 54 2HD1 LEU 54 -19.134 -8.375 -3.172 425 3HD1 LEU 54 3HD1 LEU 54 -19.123 -6.866 -2.259 426 1HD2 LEU 54 1HD2 LEU 54 -17.963 -5.985 -5.840 427 2HD2 LEU 54 2HD2 LEU 54 -19.162 -7.128 -6.445 428 3HD2 LEU 54 3HD2 LEU 54 -17.852 -7.691 -5.407 429 H GLU 55 H GLU 55 -22.931 -7.281 -6.348 430 HA GLU 55 HA GLU 55 -22.422 -5.802 -8.677 431 1HB GLU 55 2HB GLU 55 -23.924 -7.278 -9.595 432 2HB GLU 55 1HB GLU 55 -23.771 -8.051 -8.020 433 1HG GLU 55 2HG GLU 55 -26.115 -7.835 -8.385 434 2HG GLU 55 1HG GLU 55 -25.697 -6.543 -7.258 435 H LYS 56 H LYS 56 -25.248 -5.465 -6.485 436 HA LYS 56 HA LYS 56 -26.354 -3.198 -7.912 437 1HB LYS 56 2HB LYS 56 -27.277 -4.956 -6.103 438 2HB LYS 56 1HB LYS 56 -26.834 -3.656 -4.996 439 1HG LYS 56 2HG LYS 56 -29.210 -3.530 -5.844 440 2HG LYS 56 1HG LYS 56 -28.247 -2.084 -6.160 441 1HD LYS 56 2HD LYS 56 -28.907 -2.330 -8.314 442 2HD LYS 56 1HD LYS 56 -27.725 -3.638 -8.380 443 1HE LYS 56 2HE LYS 56 -29.536 -4.909 -8.987 444 2HE LYS 56 1HE LYS 56 -29.887 -4.911 -7.247 445 1HZ LYS 56 1HZ LYS 56 -31.084 -3.309 -9.381 446 2HZ LYS 56 2HZ LYS 56 -31.802 -3.964 -7.987 447 H GLU 57 H GLU 57 -24.276 -3.576 -5.059 448 HA GLU 57 HA GLU 57 -24.100 -0.740 -4.467 449 1HB GLU 57 2HB GLU 57 -23.566 -3.013 -3.136 450 2HB GLU 57 1HB GLU 57 -21.943 -2.678 -3.739 451 1HG GLU 57 2HG GLU 57 -21.783 -1.367 -1.883 452 2HG GLU 57 1HG GLU 57 -22.680 -0.203 -2.859 453 H VAL 58 H VAL 58 -21.841 -3.068 -5.992 454 HA VAL 58 HA VAL 58 -20.040 -0.932 -6.876 455 HB VAL 58 HB VAL 58 -19.642 -3.451 -6.191 456 1HG1 VAL 58 1HG1 VAL 58 -21.006 -4.601 -7.741 457 2HG1 VAL 58 2HG1 VAL 58 -19.382 -4.768 -8.408 458 3HG1 VAL 58 3HG1 VAL 58 -20.494 -3.578 -9.083 459 1HG2 VAL 58 1HG2 VAL 58 -18.275 -2.096 -8.538 460 2HG2 VAL 58 2HG2 VAL 58 -17.611 -3.471 -7.656 461 3HG2 VAL 58 3HG2 VAL 58 -17.845 -1.929 -6.835 462 H LEU 59 H LEU 59 -22.231 -3.263 -8.519 463 HA LEU 59 HA LEU 59 -21.884 -2.630 -11.182 464 1HB LEU 59 2HB LEU 59 -23.550 -4.210 -10.187 465 2HB LEU 59 1HB LEU 59 -24.546 -2.826 -9.733 466 HG LEU 59 HG LEU 59 -24.960 -4.107 -12.025 467 1HD1 LEU 59 1HD1 LEU 59 -26.309 -2.233 -11.365 468 2HD1 LEU 59 2HD1 LEU 59 -25.712 -1.873 -12.984 469 3HD1 LEU 59 3HD1 LEU 59 -24.965 -1.112 -11.580 470 1HD2 LEU 59 1HD2 LEU 59 -23.034 -1.960 -12.919 471 2HD2 LEU 59 2HD2 LEU 59 -23.698 -3.298 -13.856 472 3HD2 LEU 59 3HD2 LEU 59 -22.484 -3.607 -12.615 473 H LYS 60 H LYS 60 -23.828 -0.745 -8.846 474 HA LYS 60 HA LYS 60 -24.507 1.356 -10.726 475 1HB LYS 60 2HB LYS 60 -24.582 0.896 -7.757 476 2HB LYS 60 1HB LYS 60 -24.896 2.516 -8.380 477 1HG LYS 60 2HG LYS 60 -27.031 1.823 -8.664 478 2HG LYS 60 1HG LYS 60 -26.419 0.905 -10.040 479 1HD LYS 60 2HD LYS 60 -25.827 -0.906 -8.251 480 2HD LYS 60 1HD LYS 60 -26.992 -0.046 -7.244 481 1HE LYS 60 2HE LYS 60 -27.889 -0.614 -10.020 482 2HE LYS 60 1HE LYS 60 -27.722 -2.024 -8.954 483 1HZ LYS 60 1HZ LYS 60 -29.800 -1.278 -8.366 484 2HZ LYS 60 2HZ LYS 60 -28.844 -0.435 -7.244 485 H GLU 61 H GLU 61 -21.678 0.505 -9.037 486 HA GLU 61 HA GLU 61 -20.543 3.270 -9.304 487 1HB GLU 61 2HB GLU 61 -20.473 1.171 -7.298 488 2HB GLU 61 1HB GLU 61 -18.837 1.607 -7.796 489 1HG GLU 61 2HG GLU 61 -18.960 3.641 -6.810 490 2HG GLU 61 1HG GLU 61 -20.588 3.932 -7.423 491 H THR 62 H THR 62 -17.829 1.976 -8.986 492 HA THR 62 HA THR 62 -17.492 1.184 -11.846 493 HB THR 62 HB THR 62 -15.205 1.795 -10.031 494 HG1 THR 62 1HG THR 62 -16.877 3.835 -11.045 495 1HG2 THR 62 1HG2 THR 62 -14.580 1.494 -12.270 496 2HG2 THR 62 2HG2 THR 62 -14.715 3.248 -12.141 497 3HG2 THR 62 3HG2 THR 62 -16.017 2.315 -12.880 498 H HIS 63 H HIS 63 -18.498 -0.919 -10.440 499 HA HIS 63 HA HIS 63 -16.651 -2.551 -8.995 500 1HB HIS 63 2HB HIS 63 -18.558 -3.755 -8.845 501 2HB HIS 63 1HB HIS 63 -19.313 -2.615 -9.961 502 HD1 HIS 63 1HD HIS 63 -17.060 -5.695 -10.159 503 HD2 HIS 63 2HD HIS 63 -20.074 -3.805 -12.331 504 HE1 HIS 63 1HE HIS 63 -17.549 -7.183 -12.150 505 H GLU 64 H GLU 64 -14.783 -3.445 -9.782 506 HA GLU 64 HA GLU 64 -14.738 -4.349 -12.642 507 1HB GLU 64 2HB GLU 64 -12.925 -2.545 -11.072 508 2HB GLU 64 1HB GLU 64 -12.229 -3.543 -12.350 509 1HG GLU 64 2HG GLU 64 -14.582 -1.662 -12.716 510 2HG GLU 64 1HG GLU 64 -12.919 -1.298 -13.182 511 H LYS 65 H LYS 65 -13.596 -6.288 -12.980 512 HA LYS 65 HA LYS 65 -12.815 -7.784 -10.526 513 1HB LYS 65 2HB LYS 65 -13.451 -8.468 -13.404 514 2HB LYS 65 1HB LYS 65 -12.763 -9.663 -12.304 515 1HG LYS 65 2HG LYS 65 -14.677 -9.038 -10.701 516 2HG LYS 65 1HG LYS 65 -15.417 -8.238 -12.088 517 1HD LYS 65 2HD LYS 65 -14.764 -10.629 -13.202 518 2HD LYS 65 1HD LYS 65 -15.072 -11.129 -11.539 519 1HE LYS 65 2HE LYS 65 -17.316 -10.658 -11.677 520 2HE LYS 65 1HE LYS 65 -17.055 -9.251 -12.728 521 1HZ LYS 65 1HZ LYS 65 -17.978 -11.512 -13.686 522 2HZ LYS 65 2HZ LYS 65 -16.924 -10.533 -14.588 523 H VAL 66 H VAL 66 -10.644 -8.001 -10.046 524 HA VAL 66 HA VAL 66 -8.644 -7.014 -11.980 525 HB VAL 66 HB VAL 66 -7.263 -7.810 -9.793 526 1HG1 VAL 66 1HG1 VAL 66 -7.571 -5.530 -8.946 527 2HG1 VAL 66 2HG1 VAL 66 -9.027 -5.346 -9.923 528 3HG1 VAL 66 3HG1 VAL 66 -7.455 -5.506 -10.705 529 1HG2 VAL 66 1HG2 VAL 66 -9.813 -8.541 -9.093 530 2HG2 VAL 66 2HG2 VAL 66 -9.710 -6.923 -8.399 531 3HG2 VAL 66 3HG2 VAL 66 -8.538 -8.158 -7.937 532 H GLN 67 H GLN 67 -7.406 -8.354 -13.228 533 HA GLN 67 HA GLN 67 -7.045 -11.200 -12.405 534 1HB GLN 67 2HB GLN 67 -7.691 -10.547 -15.257 535 2HB GLN 67 1HB GLN 67 -8.036 -12.016 -14.343 536 1HG GLN 67 2HG GLN 67 -9.368 -9.389 -13.675 537 2HG GLN 67 1HG GLN 67 -10.035 -10.482 -14.888 538 1HE2 GLN 67 1HE2 GLN 67 -10.845 -9.708 -11.950 539 2HE2 GLN 67 2HE2 GLN 67 -11.144 -11.218 -11.233 540 H GLY 68 H GLY 68 -5.104 -12.127 -13.278 541 1HA GLY 68 2HA GLY 68 -3.107 -12.106 -14.621 542 2HA GLY 68 1HA GLY 68 -3.424 -10.417 -15.019 543 H GLY 69 H GLY 69 -3.982 -10.502 -11.820 544 1HA GLY 69 2HA GLY 69 -2.467 -10.465 -9.912 545 2HA GLY 69 1HA GLY 69 -1.119 -10.271 -11.032 546 H PHE 70 H PHE 70 -3.576 -8.310 -12.110 547 HA PHE 70 HA PHE 70 -2.290 -5.924 -10.864 548 1HB PHE 70 2HB PHE 70 -4.303 -5.825 -13.081 549 2HB PHE 70 1HB PHE 70 -2.856 -4.844 -12.845 550 HD1 PHE 70 1HD PHE 70 -0.573 -6.210 -12.879 551 HD2 PHE 70 2HD PHE 70 -4.243 -7.516 -14.688 552 HE1 PHE 70 1HE PHE 70 0.702 -7.726 -14.370 553 HE2 PHE 70 2HE PHE 70 -2.969 -9.033 -16.179 554 HZ PHE 70 HZ PHE 70 -0.496 -9.137 -16.020 555 H GLY 71 H GLY 71 -3.552 -6.377 -8.813 556 1HA GLY 71 2HA GLY 71 -5.260 -5.334 -7.483 557 2HA GLY 71 1HA GLY 71 -6.178 -5.015 -8.957 558 H LYS 72 H LYS 72 -4.822 -8.181 -8.481 559 HA LYS 72 HA LYS 72 -7.430 -9.435 -8.668 560 1HB LYS 72 2HB LYS 72 -5.958 -10.982 -9.423 561 2HB LYS 72 1HB LYS 72 -4.604 -10.114 -8.699 562 1HG LYS 72 2HG LYS 72 -6.475 -11.947 -7.171 563 2HG LYS 72 1HG LYS 72 -4.885 -12.419 -7.770 564 1HD LYS 72 2HD LYS 72 -5.191 -9.976 -6.036 565 2HD LYS 72 1HD LYS 72 -5.085 -11.580 -5.309 566 1HE LYS 72 2HE LYS 72 -2.874 -10.177 -5.758 567 2HE LYS 72 1HE LYS 72 -2.890 -11.923 -6.076 568 1HZ LYS 72 1HZ LYS 72 -2.120 -10.390 -7.957 569 2HZ LYS 72 2HZ LYS 72 -3.259 -11.592 -8.336 570 H TYR 73 H TYR 73 -5.593 -8.147 -6.080 571 HA TYR 73 HA TYR 73 -6.671 -9.898 -3.989 572 1HB TYR 73 2HB TYR 73 -4.709 -7.789 -4.335 573 2HB TYR 73 1HB TYR 73 -5.720 -7.452 -2.930 574 HD1 TYR 73 1HD TYR 73 -5.552 -8.751 -0.935 575 HD2 TYR 73 2HD TYR 73 -3.535 -10.013 -4.512 576 HE1 TYR 73 1HE TYR 73 -4.326 -10.471 0.363 577 HE2 TYR 73 2HE TYR 73 -2.309 -11.734 -3.213 578 HH TYR 73 HH TYR 73 -1.988 -12.652 -1.226 579 H GLN 74 H GLN 74 -7.595 -6.994 -5.679 580 HA GLN 74 HA GLN 74 -9.655 -6.284 -3.660 581 1HB GLN 74 2HB GLN 74 -8.919 -5.048 -6.335 582 2HB GLN 74 1HB GLN 74 -9.907 -4.304 -5.078 583 1HG GLN 74 2HG GLN 74 -7.336 -3.726 -5.254 584 2HG GLN 74 1HG GLN 74 -8.090 -3.940 -3.673 585 1HE2 GLN 74 1HE2 GLN 74 -5.680 -5.200 -5.837 586 2HE2 GLN 74 2HE2 GLN 74 -5.219 -6.528 -4.884 587 H GLY 75 H GLY 75 -9.436 -7.246 -7.102 588 1HA GLY 75 2HA GLY 75 -10.991 -8.445 -8.404 589 2HA GLY 75 1HA GLY 75 -11.918 -8.741 -6.929 590 H THR 76 H THR 76 -13.514 -7.230 -6.303 591 HA THR 76 HA THR 76 -14.397 -5.413 -8.497 592 HB THR 76 HB THR 76 -16.119 -5.781 -6.146 593 HG1 THR 76 1HG THR 76 -16.499 -8.026 -6.818 594 1HG2 THR 76 1HG2 THR 76 -16.281 -5.516 -9.011 595 2HG2 THR 76 2HG2 THR 76 -17.559 -5.330 -7.810 596 3HG2 THR 76 3HG2 THR 76 -17.212 -6.920 -8.490 597 H TRP 77 H TRP 77 -12.507 -3.966 -7.685 598 HA TRP 77 HA TRP 77 -12.793 -2.644 -5.110 599 1HB TRP 77 2HB TRP 77 -11.133 -1.058 -6.477 600 2HB TRP 77 1HB TRP 77 -10.614 -2.641 -5.897 601 HD1 TRP 77 HD TRP 77 -13.070 -2.788 -8.698 602 HE1 TRP 77 1HE TRP 77 -11.881 -3.461 -10.884 603 HE3 TRP 77 3HE TRP 77 -8.202 -2.324 -7.231 604 HZ2 TRP 77 2HZ TRP 77 -9.216 -3.762 -11.878 605 HZ3 TRP 77 3HZ TRP 77 -6.360 -2.807 -8.816 606 HH2 TRP 77 HH TRP 77 -6.859 -3.525 -11.136 607 H VAL 78 H VAL 78 -13.196 -0.291 -4.918 608 HA VAL 78 HA VAL 78 -14.857 0.885 -7.102 609 HB VAL 78 HB VAL 78 -16.059 1.526 -4.612 610 1HG1 VAL 78 1HG1 VAL 78 -17.135 1.226 -6.856 611 2HG1 VAL 78 2HG1 VAL 78 -17.972 0.365 -5.565 612 3HG1 VAL 78 3HG1 VAL 78 -16.927 -0.516 -6.680 613 1HG2 VAL 78 1HG2 VAL 78 -14.873 -1.175 -4.695 614 2HG2 VAL 78 2HG2 VAL 78 -16.591 -1.152 -4.300 615 3HG2 VAL 78 3HG2 VAL 78 -15.448 -0.242 -3.313 616 HA PRO 79 HA PRO 79 -12.892 4.686 -6.183 617 1HB PRO 79 2HB PRO 79 -15.085 6.373 -5.697 618 2HB PRO 79 1HB PRO 79 -14.385 6.020 -7.287 619 1HG PRO 79 2HG PRO 79 -16.805 4.911 -6.000 620 2HG PRO 79 1HG PRO 79 -16.455 5.180 -7.713 621 1HD PRO 79 2HD PRO 79 -16.436 2.722 -6.567 622 2HD PRO 79 1HD PRO 79 -15.408 3.153 -7.953 623 H LEU 80 H LEU 80 -11.845 4.705 -4.203 624 HA LEU 80 HA LEU 80 -12.860 4.068 -1.683 625 1HB LEU 80 2HB LEU 80 -10.706 4.540 -1.192 626 2HB LEU 80 1HB LEU 80 -10.520 5.131 -2.844 627 HG LEU 80 HG LEU 80 -11.876 7.106 -1.222 628 1HD1 LEU 80 1HD1 LEU 80 -10.038 5.620 0.262 629 2HD1 LEU 80 2HD1 LEU 80 -10.620 7.240 0.650 630 3HD1 LEU 80 3HD1 LEU 80 -9.122 7.034 -0.258 631 1HD2 LEU 80 1HD2 LEU 80 -10.498 8.524 -2.402 632 2HD2 LEU 80 2HD2 LEU 80 -10.310 7.094 -3.417 633 3HD2 LEU 80 3HD2 LEU 80 -9.088 7.482 -2.207 634 H ASN 81 H ASN 81 -13.219 7.083 -3.479 635 HA ASN 81 HA ASN 81 -14.035 8.776 -1.308 636 1HB ASN 81 2HB ASN 81 -14.858 10.184 -3.127 637 2HB ASN 81 1HB ASN 81 -13.337 9.445 -3.630 638 1HD2 ASN 81 1HD2 ASN 81 -14.758 10.178 -5.771 639 2HD2 ASN 81 2HD2 ASN 81 -15.597 8.883 -6.479 640 H ILE 82 H ILE 82 -15.721 6.423 -3.310 641 HA ILE 82 HA ILE 82 -18.292 7.047 -1.908 642 HB ILE 82 HB ILE 82 -17.620 5.517 -4.446 643 1HG1 ILE 82 2HG1 ILE 82 -18.376 8.318 -3.809 644 2HG1 ILE 82 1HG1 ILE 82 -17.447 7.685 -5.169 645 1HG2 ILE 82 1HG2 ILE 82 -19.904 5.093 -4.739 646 2HG2 ILE 82 2HG2 ILE 82 -20.384 6.362 -3.611 647 3HG2 ILE 82 3HG2 ILE 82 -19.706 4.850 -3.003 648 1HD1 ILE 82 1HD1 ILE 82 -20.388 7.093 -4.964 649 2HD1 ILE 82 2HD1 ILE 82 -19.363 7.147 -6.398 650 3HD1 ILE 82 3HD1 ILE 82 -19.847 8.646 -5.603 651 H ALA 83 H ALA 83 -15.905 4.540 -2.581 652 HA ALA 83 HA ALA 83 -17.338 2.290 -1.534 653 1HB ALA 83 1HB ALA 83 -15.466 1.475 -2.519 654 2HB ALA 83 2HB ALA 83 -14.600 1.927 -1.050 655 3HB ALA 83 3HB ALA 83 -14.662 3.042 -2.416 656 H LYS 84 H LYS 84 -14.738 4.238 0.039 657 HA LYS 84 HA LYS 84 -14.984 3.127 2.620 658 1HB LYS 84 2HB LYS 84 -13.776 5.118 3.296 659 2HB LYS 84 1HB LYS 84 -13.220 4.679 1.681 660 1HG LYS 84 2HG LYS 84 -13.700 6.819 1.116 661 2HG LYS 84 1HG LYS 84 -15.388 6.306 1.147 662 1HD LYS 84 2HD LYS 84 -15.812 7.357 3.130 663 2HD LYS 84 1HD LYS 84 -14.212 6.997 3.779 664 1HE LYS 84 2HE LYS 84 -13.210 8.822 2.605 665 2HE LYS 84 1HE LYS 84 -14.640 9.035 1.575 666 1HZ LYS 84 1HZ LYS 84 -14.965 9.127 4.491 667 2HZ LYS 84 2HZ LYS 84 -14.332 10.494 3.706 668 H GLN 85 H GLN 85 -16.901 5.660 1.041 669 HA GLN 85 HA GLN 85 -18.279 6.526 3.436 670 1HB GLN 85 2HB GLN 85 -18.594 8.105 1.823 671 2HB GLN 85 1HB GLN 85 -18.318 6.944 0.524 672 1HG GLN 85 2HG GLN 85 -20.640 6.025 1.006 673 2HG GLN 85 1HG GLN 85 -20.886 7.425 2.051 674 1HE2 GLN 85 1HE2 GLN 85 -19.091 9.049 0.127 675 2HE2 GLN 85 2HE2 GLN 85 -20.125 9.426 -1.166 676 H LEU 86 H LEU 86 -18.722 3.927 1.126 677 HA LEU 86 HA LEU 86 -21.443 3.288 2.058 678 1HB LEU 86 2HB LEU 86 -20.824 2.976 -0.273 679 2HB LEU 86 1HB LEU 86 -19.460 1.964 0.194 680 HG LEU 86 HG LEU 86 -22.119 1.125 1.214 681 1HD1 LEU 86 1HD1 LEU 86 -22.332 1.890 -1.274 682 2HD1 LEU 86 2HD1 LEU 86 -22.947 0.299 -0.823 683 3HD1 LEU 86 3HD1 LEU 86 -21.382 0.445 -1.626 684 1HD2 LEU 86 1HD2 LEU 86 -20.907 -1.043 0.100 685 2HD2 LEU 86 2HD2 LEU 86 -20.587 -0.489 1.744 686 3HD2 LEU 86 3HD2 LEU 86 -19.502 -0.030 0.431 687 H ALA 87 H ALA 87 -18.169 1.902 2.290 688 HA ALA 87 HA ALA 87 -19.078 -0.240 4.096 689 1HB ALA 87 1HB ALA 87 -16.881 -1.063 3.784 690 2HB ALA 87 2HB ALA 87 -16.239 0.543 3.441 691 3HB ALA 87 3HB ALA 87 -17.252 -0.274 2.251 692 H GLU 88 H GLU 88 -16.608 2.365 4.380 693 HA GLU 88 HA GLU 88 -15.878 2.289 6.979 694 1HB GLU 88 2HB GLU 88 -15.222 4.418 6.556 695 2HB GLU 88 1HB GLU 88 -15.884 4.127 4.955 696 1HG GLU 88 2HG GLU 88 -17.925 5.206 5.469 697 2HG GLU 88 1HG GLU 88 -17.626 5.124 7.206 698 H LYS 89 H LYS 89 -19.137 2.907 5.862 699 HA LYS 89 HA LYS 89 -20.175 4.065 8.298 700 1HB LYS 89 2HB LYS 89 -21.026 3.356 5.678 701 2HB LYS 89 1HB LYS 89 -22.111 2.540 6.804 702 1HG LYS 89 2HG LYS 89 -23.040 4.489 7.510 703 2HG LYS 89 1HG LYS 89 -21.488 5.327 7.534 704 1HD LYS 89 2HD LYS 89 -22.268 6.416 5.702 705 2HD LYS 89 1HD LYS 89 -21.873 4.928 4.842 706 1HE LYS 89 2HE LYS 89 -24.209 5.614 4.373 707 2HE LYS 89 1HE LYS 89 -24.185 4.090 5.282 708 1HZ LYS 89 1HZ LYS 89 -24.003 6.241 7.080 709 2HZ LYS 89 2HZ LYS 89 -25.331 6.515 6.058 710 H PHE 90 H PHE 90 -21.813 1.217 7.270 711 HA PHE 90 HA PHE 90 -21.125 -0.119 9.862 712 1HB PHE 90 2HB PHE 90 -23.538 0.651 8.728 713 2HB PHE 90 1HB PHE 90 -23.453 -1.069 8.347 714 HD1 PHE 90 1HD PHE 90 -21.461 -1.214 10.977 715 HD2 PHE 90 2HD PHE 90 -25.536 -0.116 10.182 716 HE1 PHE 90 1HE PHE 90 -22.066 -1.766 13.318 717 HE2 PHE 90 2HE PHE 90 -26.143 -0.668 12.523 718 HZ PHE 90 HZ PHE 90 -24.407 -1.494 14.091 719 H SER 91 H SER 91 -20.340 -0.256 6.648 720 HA SER 91 HA SER 91 -20.578 -3.089 6.112 721 1HB SER 91 2HB SER 91 -18.568 -1.307 4.793 722 2HB SER 91 1HB SER 91 -19.652 -2.491 4.068 723 HG SER 91 HG SER 91 -20.962 -0.895 3.731 724 H VAL 92 H VAL 92 -17.518 -1.250 6.196 725 HA VAL 92 HA VAL 92 -16.322 -3.505 7.774 726 HB VAL 92 HB VAL 92 -14.254 -2.302 6.431 727 1HG1 VAL 92 1HG1 VAL 92 -15.823 -4.308 4.890 728 2HG1 VAL 92 2HG1 VAL 92 -15.351 -4.763 6.527 729 3HG1 VAL 92 3HG1 VAL 92 -14.119 -4.321 5.344 730 1HG2 VAL 92 1HG2 VAL 92 -15.646 -0.764 5.203 731 2HG2 VAL 92 2HG2 VAL 92 -16.776 -2.048 4.772 732 3HG2 VAL 92 3HG2 VAL 92 -15.157 -2.030 4.075 733 H TYR 93 H TYR 93 -17.427 -0.517 8.231 734 HA TYR 93 HA TYR 93 -15.579 1.287 9.118 735 1HB TYR 93 2HB TYR 93 -17.337 2.109 10.349 736 2HB TYR 93 1HB TYR 93 -18.232 0.869 9.470 737 HD1 TYR 93 1HD TYR 93 -16.573 1.700 12.673 738 HD2 TYR 93 2HD TYR 93 -19.003 -1.143 10.560 739 HE1 TYR 93 1HE TYR 93 -17.096 0.557 14.811 740 HE2 TYR 93 2HE TYR 93 -19.526 -2.285 12.698 741 HH TYR 93 HH TYR 93 -19.586 -1.714 15.118 742 H ASP 94 H ASP 94 -16.165 -1.880 10.522 743 HA ASP 94 HA ASP 94 -14.430 -1.328 12.857 744 1HB ASP 94 2HB ASP 94 -15.337 -3.316 13.683 745 2HB ASP 94 1HB ASP 94 -16.635 -2.772 12.619 746 H GLN 95 H GLN 95 -14.495 -3.810 10.266 747 HA GLN 95 HA GLN 95 -11.937 -4.890 10.633 748 1HB GLN 95 2HB GLN 95 -13.925 -4.601 8.475 749 2HB GLN 95 1HB GLN 95 -12.288 -4.946 7.919 750 1HG GLN 95 2HG GLN 95 -12.512 -7.097 8.533 751 2HG GLN 95 1HG GLN 95 -12.853 -6.602 10.191 752 1HE2 GLN 95 1HE2 GLN 95 -14.920 -7.110 10.930 753 2HE2 GLN 95 2HE2 GLN 95 -16.258 -7.429 9.936 754 H LEU 96 H LEU 96 -12.830 -2.130 8.523 755 HA LEU 96 HA LEU 96 -10.035 -1.567 7.858 756 1HB LEU 96 2HB LEU 96 -12.104 0.491 7.409 757 2HB LEU 96 1HB LEU 96 -11.020 -0.281 6.251 758 HG LEU 96 HG LEU 96 -13.748 -1.087 7.121 759 1HD1 LEU 96 1HD1 LEU 96 -13.098 -0.154 4.854 760 2HD1 LEU 96 2HD1 LEU 96 -13.946 -1.700 4.802 761 3HD1 LEU 96 3HD1 LEU 96 -12.197 -1.646 4.579 762 1HD2 LEU 96 1HD2 LEU 96 -12.588 -3.415 6.034 763 2HD2 LEU 96 2HD2 LEU 96 -13.157 -3.190 7.687 764 3HD2 LEU 96 3HD2 LEU 96 -11.470 -2.873 7.284 765 H LYS 97 H LYS 97 -10.605 -1.519 10.724 766 HA LYS 97 HA LYS 97 -11.066 1.011 11.861 767 1HB LYS 97 2HB LYS 97 -9.844 -1.535 12.546 768 2HB LYS 97 1HB LYS 97 -8.988 -0.203 13.321 769 1HG LYS 97 2HG LYS 97 -11.361 0.663 13.944 770 2HG LYS 97 1HG LYS 97 -11.885 -0.983 13.584 771 1HD LYS 97 2HD LYS 97 -10.237 -1.861 15.202 772 2HD LYS 97 1HD LYS 97 -9.727 -0.213 15.571 773 1HE LYS 97 2HE LYS 97 -11.815 -1.633 16.820 774 2HE LYS 97 1HE LYS 97 -11.496 0.107 16.964 775 1HZ LYS 97 1HZ LYS 97 -12.619 -0.038 14.540 776 2HZ LYS 97 2HZ LYS 97 -13.457 -1.279 15.341 777 HA PRO 98 HA PRO 98 -6.424 2.072 11.449 778 1HB PRO 98 2HB PRO 98 -4.842 0.335 10.020 779 2HB PRO 98 1HB PRO 98 -5.075 0.229 11.775 780 1HG PRO 98 2HG PRO 98 -6.305 -1.375 9.605 781 2HG PRO 98 1HG PRO 98 -5.827 -1.858 11.238 782 1HD PRO 98 2HD PRO 98 -8.413 -1.366 10.472 783 2HD PRO 98 1HD PRO 98 -7.822 -1.230 12.143 784 H LEU 99 H LEU 99 -7.001 0.057 8.531 785 HA LEU 99 HA LEU 99 -6.043 1.705 6.534 786 1HB LEU 99 2HB LEU 99 -7.022 0.020 5.391 787 2HB LEU 99 1HB LEU 99 -7.916 -0.440 6.841 788 HG LEU 99 HG LEU 99 -9.658 1.217 6.304 789 1HD1 LEU 99 1HD1 LEU 99 -7.666 1.928 4.202 790 2HD1 LEU 99 2HD1 LEU 99 -8.756 2.971 5.115 791 3HD1 LEU 99 3HD1 LEU 99 -9.370 2.027 3.758 792 1HD2 LEU 99 1HD2 LEU 99 -10.390 0.149 4.077 793 2HD2 LEU 99 2HD2 LEU 99 -10.112 -0.948 5.429 794 3HD2 LEU 99 3HD2 LEU 99 -8.893 -0.780 4.167 795 H PHE 100 H PHE 100 -9.226 1.986 8.129 796 HA PHE 100 HA PHE 100 -9.987 4.358 6.601 797 1HB PHE 100 2HB PHE 100 -11.036 2.678 8.847 798 2HB PHE 100 1HB PHE 100 -11.714 4.293 8.643 799 HD1 PHE 100 1HD PHE 100 -11.090 4.214 5.526 800 HD2 PHE 100 2HD PHE 100 -13.209 1.644 8.238 801 HE1 PHE 100 1HE PHE 100 -12.492 3.391 3.653 802 HE2 PHE 100 2HE PHE 100 -14.610 0.821 6.365 803 HZ PHE 100 HZ PHE 100 -14.252 1.696 4.072 804 H ASP 101 H ASP 101 -8.364 3.685 9.642 805 HA ASP 101 HA ASP 101 -8.676 6.287 10.847 806 1HB ASP 101 2HB ASP 101 -6.741 3.976 11.125 807 2HB ASP 101 1HB ASP 101 -6.619 5.418 12.135 808 H PHE 102 H PHE 102 -6.743 5.125 8.234 809 HA PHE 102 HA PHE 102 -5.770 7.632 7.414 810 1HB PHE 102 2HB PHE 102 -4.723 7.615 9.670 811 2HB PHE 102 1HB PHE 102 -3.843 6.150 9.233 812 HD1 PHE 102 1HD PHE 102 -1.694 6.372 8.359 813 HD2 PHE 102 2HD PHE 102 -4.485 9.607 7.914 814 HE1 PHE 102 1HE PHE 102 0.071 7.749 7.292 815 HE2 PHE 102 2HE PHE 102 -2.720 10.983 6.846 816 HZ PHE 102 HZ PHE 102 -0.442 10.055 6.536 817 H THR 103 H THR 103 -5.530 7.025 5.295 818 HA THR 103 HA THR 103 -3.653 4.797 4.684 819 HB THR 103 HB THR 103 -6.552 4.998 4.184 820 HG1 THR 103 1HG THR 103 -6.371 2.947 4.635 821 1HG2 THR 103 1HG2 THR 103 -4.587 4.481 1.974 822 2HG2 THR 103 2HG2 THR 103 -6.104 5.380 1.927 823 3HG2 THR 103 3HG2 THR 103 -6.125 3.617 1.993 824 H GLN 104 H GLN 104 -5.029 7.841 3.974 825 HA GLN 104 HA GLN 104 -3.508 8.051 1.404 826 1HB GLN 104 2HB GLN 104 -5.051 10.133 1.238 827 2HB GLN 104 1HB GLN 104 -5.805 8.546 1.088 828 1HG GLN 104 2HG GLN 104 -6.615 8.602 3.324 829 2HG GLN 104 1HG GLN 104 -5.573 9.961 3.748 830 1HE2 GLN 104 1HE2 GLN 104 -6.432 12.049 3.462 831 2HE2 GLN 104 2HE2 GLN 104 -7.896 12.378 2.669 832 H THR 105 H THR 105 -2.378 10.152 1.053 833 HA THR 105 HA THR 105 -1.061 11.075 3.551 834 HB THR 105 HB THR 105 0.734 11.363 2.174 835 HG1 THR 105 1HG THR 105 -1.125 12.415 0.314 836 1HG2 THR 105 1HG2 THR 105 -1.154 9.529 0.903 837 2HG2 THR 105 2HG2 THR 105 0.580 9.349 1.163 838 3HG2 THR 105 3HG2 THR 105 -0.014 10.231 -0.246 839 H ASP 106 H ASP 106 -0.849 13.388 3.974 840 HA ASP 106 HA ASP 106 -3.223 14.917 3.744 841 1HB ASP 106 2HB ASP 106 -2.012 16.256 5.116 842 2HB ASP 106 1HB ASP 106 -0.714 15.072 4.954 843 H GLY 107 H GLY 107 -1.963 13.860 1.124 844 1HA GLY 107 2HA GLY 107 -2.306 14.688 -1.090 845 2HA GLY 107 1HA GLY 107 -2.494 16.312 -0.427 846 H SER 108 H SER 108 0.092 15.538 1.187 847 HA SER 108 HA SER 108 1.940 16.695 -0.814 848 1HB SER 108 2HB SER 108 3.109 17.390 1.057 849 2HB SER 108 1HB SER 108 1.527 17.165 1.799 850 HG SER 108 HG SER 108 3.673 15.302 1.707 851 H ALA 109 H ALA 109 3.942 15.632 -1.390 852 HA ALA 109 HA ALA 109 4.053 13.069 -2.224 853 1HB ALA 109 1HB ALA 109 6.320 13.421 -2.306 854 2HB ALA 109 2HB ALA 109 6.413 13.838 -0.595 855 3HB ALA 109 3HB ALA 109 5.873 15.040 -1.768 856 H SER 110 H SER 110 3.308 11.232 -1.226 857 HA SER 110 HA SER 110 3.938 10.854 1.683 858 1HB SER 110 2HB SER 110 1.512 11.073 0.579 859 2HB SER 110 1HB SER 110 1.771 9.359 0.265 860 HG SER 110 HG SER 110 1.980 10.677 2.776 861 HA PRO 111 HA PRO 111 6.579 7.627 0.074 862 1HB PRO 111 2HB PRO 111 6.675 6.823 2.922 863 2HB PRO 111 1HB PRO 111 8.003 7.276 1.837 864 1HG PRO 111 2HG PRO 111 7.137 8.874 3.824 865 2HG PRO 111 1HG PRO 111 7.819 9.496 2.314 866 1HD PRO 111 2HD PRO 111 4.995 9.428 3.221 867 2HD PRO 111 1HD PRO 111 5.824 10.594 2.166 868 HA PRO 112 HA PRO 112 3.616 4.390 -0.286 869 1HB PRO 112 2HB PRO 112 5.951 2.556 -0.375 870 2HB PRO 112 1HB PRO 112 4.674 2.812 -1.579 871 1HG PRO 112 2HG PRO 112 7.178 3.726 -1.915 872 2HG PRO 112 1HG PRO 112 5.758 4.561 -2.560 873 1HD PRO 112 2HD PRO 112 7.474 5.273 -0.252 874 2HD PRO 112 1HD PRO 112 6.541 6.322 -1.341 875 HA PRO 113 HA PRO 113 3.243 3.072 3.911 876 1HB PRO 113 2HB PRO 113 1.578 0.880 3.316 877 2HB PRO 113 1HB PRO 113 1.040 2.527 3.690 878 1HG PRO 113 2HG PRO 113 1.313 1.176 1.074 879 2HG PRO 113 1HG PRO 113 0.192 2.447 1.583 880 1HD PRO 113 2HD PRO 113 2.307 2.922 -0.034 881 2HD PRO 113 1HD PRO 113 1.675 4.133 1.104 882 H ALA 114 H ALA 114 3.389 0.369 1.567 883 HA ALA 114 HA ALA 114 4.685 -1.492 3.288 884 1HB ALA 114 1HB ALA 114 4.307 -2.737 1.441 885 2HB ALA 114 2HB ALA 114 5.470 -1.781 0.522 886 3HB ALA 114 3HB ALA 114 3.784 -1.273 0.609 887 HA PRO 115 HA PRO 115 8.916 -0.369 3.422 888 1HB PRO 115 2HB PRO 115 10.211 -2.619 2.415 889 2HB PRO 115 1HB PRO 115 9.628 -2.447 4.080 890 1HG PRO 115 2HG PRO 115 8.424 -3.898 1.796 891 2HG PRO 115 1HG PRO 115 8.384 -4.274 3.524 892 1HD PRO 115 2HD PRO 115 6.272 -3.218 2.174 893 2HD PRO 115 1HD PRO 115 6.563 -2.940 3.905 894 H LYS 116 H LYS 116 9.915 1.047 2.031 895 HA LYS 116 HA LYS 116 9.596 0.699 -0.889 896 1HB LYS 116 2HB LYS 116 9.163 2.868 0.094 897 2HB LYS 116 1HB LYS 116 10.723 2.858 0.918 898 1HG LYS 116 2HG LYS 116 11.742 3.717 -0.894 899 2HG LYS 116 1HG LYS 116 11.112 2.418 -1.907 900 1HD LYS 116 2HD LYS 116 9.441 3.712 -2.730 901 2HD LYS 116 1HD LYS 116 9.084 4.409 -1.150 902 1HE LYS 116 2HE LYS 116 10.734 5.493 -3.315 903 2HE LYS 116 1HE LYS 116 10.081 6.314 -1.884 904 1HZ LYS 116 1HZ LYS 116 12.462 6.231 -1.701 905 2HZ LYS 116 2HZ LYS 116 12.476 4.557 -1.984 906 H HIS 117 H HIS 117 11.491 0.798 -2.315 907 HA HIS 117 HA HIS 117 13.937 -0.371 -1.038 908 1HB HIS 117 2HB HIS 117 13.757 -1.890 -2.699 909 2HB HIS 117 1HB HIS 117 12.275 -1.096 -3.229 910 HD1 HIS 117 1HD HIS 117 15.607 -1.875 -4.369 911 HD2 HIS 117 2HD HIS 117 12.943 1.267 -5.012 912 HE1 HIS 117 1HE HIS 117 16.396 -0.684 -6.461 913 H HIS 118 H HIS 118 15.697 0.967 -0.990 914 HA HIS 118 HA HIS 118 15.696 3.545 -2.352 915 1HB HIS 118 2HB HIS 118 18.142 2.304 -1.153 916 2HB HIS 118 1HB HIS 118 17.516 3.942 -0.967 917 HD1 HIS 118 1HD HIS 118 18.187 2.734 1.632 918 HD2 HIS 118 2HD HIS 118 14.508 1.979 -0.179 919 HE1 HIS 118 1HE HIS 118 16.620 1.986 3.476 920 H HIS 119 H HIS 119 16.927 4.124 -4.181 921 HA HIS 119 HA HIS 119 17.587 2.038 -6.070 922 1HB HIS 119 2HB HIS 119 17.038 4.744 -6.086 923 2HB HIS 119 1HB HIS 119 18.759 4.709 -6.468 924 HD1 HIS 119 1HD HIS 119 16.705 5.505 -8.642 925 HD2 HIS 119 2HD HIS 119 18.116 1.619 -8.097 926 HE1 HIS 119 1HE HIS 119 16.373 4.306 -10.848 927 H ALA 120 H ALA 120 19.236 0.698 -5.185 928 HA ALA 120 HA ALA 120 21.761 1.934 -4.254 929 1HB ALA 120 1HB ALA 120 20.490 -0.075 -3.239 930 2HB ALA 120 2HB ALA 120 22.230 -0.260 -3.459 931 3HB ALA 120 3HB ALA 120 21.113 -0.998 -4.607 932 H SER 121 H SER 121 23.836 1.225 -5.248 933 HA SER 121 HA SER 121 23.640 1.124 -8.189 934 1HB SER 121 2HB SER 121 25.216 2.546 -6.718 935 2HB SER 121 1HB SER 121 26.114 1.055 -6.448 936 HG SER 121 HG SER 121 26.999 2.043 -8.222 937 H LYS 122 H LYS 122 23.085 -0.975 -8.832 938 HA LYS 122 HA LYS 122 24.680 -3.226 -7.675 939 1HB LYS 122 2HB LYS 122 21.911 -2.767 -8.394 940 2HB LYS 122 1HB LYS 122 22.539 -4.175 -9.251 941 1HG LYS 122 2HG LYS 122 22.805 -3.729 -6.264 942 2HG LYS 122 1HG LYS 122 21.582 -4.753 -7.015 943 1HD LYS 122 2HD LYS 122 24.330 -5.380 -6.408 944 2HD LYS 122 1HD LYS 122 23.064 -6.446 -7.018 945 1HE LYS 122 2HE LYS 122 23.518 -5.681 -9.326 946 2HE LYS 122 1HE LYS 122 24.797 -4.613 -8.716 947 1HZ LYS 122 1HZ LYS 122 24.944 -7.374 -9.228 948 2HZ LYS 122 2HZ LYS 122 26.169 -6.339 -8.668 949 H VAL 123 H VAL 123 26.533 -2.966 -9.079 950 HA VAL 123 HA VAL 123 26.331 -2.730 -11.949 951 HB VAL 123 HB VAL 123 28.720 -3.105 -11.842 952 1HG1 VAL 123 1HG1 VAL 123 27.498 -1.609 -9.534 953 2HG1 VAL 123 2HG1 VAL 123 28.298 -0.971 -10.971 954 3HG1 VAL 123 3HG1 VAL 123 29.252 -1.714 -9.688 955 1HG2 VAL 123 1HG2 VAL 123 29.670 -3.864 -9.563 956 2HG2 VAL 123 2HG2 VAL 123 28.917 -5.100 -10.570 957 3HG2 VAL 123 3HG2 VAL 123 28.033 -4.413 -9.206 958 H ASP 124 H ASP 124 25.176 -4.355 -12.998 959 HA ASP 124 HA ASP 124 25.523 -7.182 -12.198 960 1HB ASP 124 2HB ASP 124 23.867 -7.294 -14.271 961 2HB ASP 124 1HB ASP 124 23.305 -6.687 -12.713 Start of MODEL 7 1 H SER 2 H SER 2 1.554 -4.997 8.308 2 HA SER 2 HA SER 2 0.248 -7.578 7.832 3 1HB SER 2 2HB SER 2 0.044 -5.823 10.282 4 2HB SER 2 1HB SER 2 0.030 -7.582 10.195 5 HG SER 2 HG SER 2 2.147 -5.794 10.152 6 H ASN 3 H ASN 3 -1.462 -5.529 9.974 7 HA ASN 3 HA ASN 3 -3.860 -5.662 8.251 8 1HB ASN 3 2HB ASN 3 -3.759 -4.320 10.927 9 2HB ASN 3 1HB ASN 3 -4.995 -5.386 10.258 10 1HD2 ASN 3 1HD2 ASN 3 -4.936 -6.854 12.100 11 2HD2 ASN 3 2HD2 ASN 3 -3.605 -7.867 12.387 12 H GLN 4 H GLN 4 -1.308 -3.584 8.392 13 HA GLN 4 HA GLN 4 -2.634 -1.006 8.525 14 1HB GLN 4 2HB GLN 4 -0.457 -0.441 8.709 15 2HB GLN 4 1HB GLN 4 -0.016 -2.121 8.400 16 1HG GLN 4 2HG GLN 4 -0.520 -1.414 5.880 17 2HG GLN 4 1HG GLN 4 -0.129 0.189 6.505 18 1HE2 GLN 4 1HE2 GLN 4 1.649 -1.504 8.554 19 2HE2 GLN 4 2HE2 GLN 4 3.082 -1.721 7.673 20 H ILE 5 H ILE 5 -1.970 0.444 6.396 21 HA ILE 5 HA ILE 5 -3.320 -0.916 4.091 22 HB ILE 5 HB ILE 5 -3.763 1.500 5.512 23 1HG1 ILE 5 2HG1 ILE 5 -4.944 -0.091 3.363 24 2HG1 ILE 5 1HG1 ILE 5 -5.739 0.821 4.646 25 1HG2 ILE 5 1HG2 ILE 5 -3.636 3.123 3.581 26 2HG2 ILE 5 2HG2 ILE 5 -2.678 1.923 2.714 27 3HG2 ILE 5 3HG2 ILE 5 -2.067 2.625 4.212 28 1HD1 ILE 5 1HD1 ILE 5 -4.466 2.452 2.527 29 2HD1 ILE 5 2HD1 ILE 5 -6.015 2.673 3.341 30 3HD1 ILE 5 3HD1 ILE 5 -5.870 1.512 2.022 31 H TYR 6 H TYR 6 -1.323 -1.787 3.212 32 HA TYR 6 HA TYR 6 0.999 -0.106 2.733 33 1HB TYR 6 2HB TYR 6 0.890 -2.420 1.042 34 2HB TYR 6 1HB TYR 6 1.856 -2.178 2.497 35 HD1 TYR 6 1HD TYR 6 -0.157 -4.503 1.175 36 HD2 TYR 6 2HD TYR 6 -0.062 -1.971 4.644 37 HE1 TYR 6 1HE TYR 6 -1.588 -6.120 2.395 38 HE2 TYR 6 2HE TYR 6 -1.494 -3.588 5.863 39 HH TYR 6 HH TYR 6 -1.884 -6.604 5.142 40 H SER 7 H SER 7 1.847 0.230 0.481 41 HA SER 7 HA SER 7 -0.374 0.881 -1.433 42 1HB SER 7 2HB SER 7 1.421 2.550 -0.147 43 2HB SER 7 1HB SER 7 2.185 2.302 -1.714 44 HG SER 7 HG SER 7 0.807 3.827 -2.248 45 H ALA 8 H ALA 8 0.069 0.450 -3.680 46 HA ALA 8 HA ALA 8 2.632 -0.891 -4.359 47 1HB ALA 8 1HB ALA 8 1.588 -2.867 -3.859 48 2HB ALA 8 2HB ALA 8 0.839 -2.642 -5.440 49 3HB ALA 8 3HB ALA 8 -0.021 -2.156 -3.980 50 H ARG 9 H ARG 9 2.908 -1.099 -6.704 51 HA ARG 9 HA ARG 9 1.081 0.697 -8.269 52 1HB ARG 9 2HB ARG 9 2.968 1.897 -8.595 53 2HB ARG 9 1HB ARG 9 3.933 0.675 -7.767 54 1HG ARG 9 2HG ARG 9 4.829 0.116 -9.755 55 2HG ARG 9 1HG ARG 9 3.236 -0.453 -10.258 56 1HD ARG 9 2HD ARG 9 4.560 2.189 -10.810 57 2HD ARG 9 1HD ARG 9 3.615 1.156 -11.901 58 HE ARG 9 HE ARG 9 1.579 1.886 -10.732 59 1HH1 ARG 9 1HH1 ARG 9 4.534 3.459 -9.913 60 1HH2 ARG 9 1HH2 ARG 9 0.549 3.666 -9.792 61 2HH2 ARG 9 2HH2 ARG 9 1.503 4.946 -9.122 62 H TYR 10 H TYR 10 -0.172 -0.737 -9.457 63 HA TYR 10 HA TYR 10 1.280 -2.661 -11.216 64 1HB TYR 10 2HB TYR 10 -0.555 -3.203 -8.968 65 2HB TYR 10 1HB TYR 10 -0.959 -4.065 -10.453 66 HD1 TYR 10 1HD TYR 10 2.496 -3.195 -10.309 67 HD2 TYR 10 2HD TYR 10 -0.355 -6.099 -8.934 68 HE1 TYR 10 1HE TYR 10 4.338 -4.801 -9.880 69 HE2 TYR 10 2HE TYR 10 1.488 -7.704 -8.505 70 HH TYR 10 HH TYR 10 4.531 -6.953 -8.145 71 H SER 11 H SER 11 -0.175 -3.437 -12.999 72 HA SER 11 HA SER 11 -1.687 -2.978 -14.756 73 1HB SER 11 2HB SER 11 -3.775 -3.052 -13.872 74 2HB SER 11 1HB SER 11 -2.992 -2.989 -12.295 75 HG SER 11 HG SER 11 -3.316 -0.829 -12.217 76 H GLY 12 H GLY 12 0.403 -0.958 -14.103 77 1HA GLY 12 2HA GLY 12 0.973 1.153 -14.970 78 2HA GLY 12 1HA GLY 12 -0.611 1.204 -15.743 79 H VAL 13 H VAL 13 -1.447 0.542 -12.707 80 HA VAL 13 HA VAL 13 -1.352 3.397 -11.793 81 HB VAL 13 HB VAL 13 -3.783 2.068 -11.015 82 1HG1 VAL 13 1HG1 VAL 13 -3.474 4.208 -13.125 83 2HG1 VAL 13 2HG1 VAL 13 -3.207 4.553 -11.416 84 3HG1 VAL 13 3HG1 VAL 13 -4.787 3.994 -11.966 85 1HG2 VAL 13 1HG2 VAL 13 -2.875 0.908 -13.314 86 2HG2 VAL 13 2HG2 VAL 13 -3.786 2.268 -13.969 87 3HG2 VAL 13 3HG2 VAL 13 -4.583 1.097 -12.920 88 H ASP 14 H ASP 14 -0.978 3.630 -9.576 89 HA ASP 14 HA ASP 14 -0.144 1.252 -8.088 90 1HB ASP 14 2HB ASP 14 1.186 3.130 -7.702 91 2HB ASP 14 1HB ASP 14 -0.192 4.230 -7.727 92 H VAL 15 H VAL 15 -1.010 0.808 -5.893 93 HA VAL 15 HA VAL 15 -3.764 1.767 -5.341 94 HB VAL 15 HB VAL 15 -4.408 -0.722 -5.137 95 1HG1 VAL 15 1HG1 VAL 15 -5.319 -0.577 -7.226 96 2HG1 VAL 15 2HG1 VAL 15 -3.765 -0.240 -7.989 97 3HG1 VAL 15 3HG1 VAL 15 -4.651 1.055 -7.184 98 1HG2 VAL 15 1HG2 VAL 15 -1.734 -0.870 -6.526 99 2HG2 VAL 15 2HG2 VAL 15 -2.966 -2.102 -6.802 100 3HG2 VAL 15 3HG2 VAL 15 -2.329 -1.840 -5.179 101 H TYR 16 H TYR 16 -4.510 0.485 -3.213 102 HA TYR 16 HA TYR 16 -2.176 0.526 -1.336 103 1HB TYR 16 2HB TYR 16 -5.134 0.785 -0.721 104 2HB TYR 16 1HB TYR 16 -3.779 1.247 0.309 105 HD1 TYR 16 1HD TYR 16 -5.811 3.257 -0.168 106 HD2 TYR 16 2HD TYR 16 -2.453 2.166 -2.614 107 HE1 TYR 16 1HE TYR 16 -5.811 5.522 -1.179 108 HE2 TYR 16 2HE TYR 16 -2.453 4.430 -3.625 109 HH TYR 16 HH TYR 16 -3.285 6.792 -2.840 110 H GLU 17 H GLU 17 -1.805 -1.348 -0.095 111 HA GLU 17 HA GLU 17 -3.702 -3.625 -0.576 112 1HB GLU 17 2HB GLU 17 -1.102 -4.519 0.178 113 2HB GLU 17 1HB GLU 17 -1.886 -4.679 -1.394 114 1HG GLU 17 2HG GLU 17 -1.003 -1.968 -1.087 115 2HG GLU 17 1HG GLU 17 0.344 -3.045 -0.718 116 H PHE 18 H PHE 18 -4.813 -4.048 1.271 117 HA PHE 18 HA PHE 18 -3.306 -4.077 3.859 118 1HB PHE 18 2HB PHE 18 -4.516 -2.049 3.953 119 2HB PHE 18 1HB PHE 18 -5.900 -2.735 3.102 120 HD1 PHE 18 1HD PHE 18 -3.989 -4.231 5.929 121 HD2 PHE 18 2HD PHE 18 -7.673 -2.430 4.653 122 HE1 PHE 18 1HE PHE 18 -5.031 -4.828 8.099 123 HE2 PHE 18 2HE PHE 18 -8.716 -3.025 6.823 124 HZ PHE 18 HZ PHE 18 -7.395 -4.225 8.545 125 H ILE 19 H ILE 19 -3.814 -5.872 5.139 126 HA ILE 19 HA ILE 19 -5.383 -8.017 3.915 127 HB ILE 19 HB ILE 19 -4.169 -7.789 6.687 128 1HG1 ILE 19 2HG1 ILE 19 -2.777 -7.389 4.384 129 2HG1 ILE 19 1HG1 ILE 19 -2.082 -8.148 5.818 130 1HG2 ILE 19 1HG2 ILE 19 -4.118 -10.187 6.640 131 2HG2 ILE 19 2HG2 ILE 19 -4.555 -10.225 4.931 132 3HG2 ILE 19 3HG2 ILE 19 -5.740 -9.715 6.132 133 1HD1 ILE 19 1HD1 ILE 19 -3.569 -9.845 3.839 134 2HD1 ILE 19 2HD1 ILE 19 -2.266 -10.298 4.937 135 3HD1 ILE 19 3HD1 ILE 19 -1.911 -9.362 3.485 136 H HIS 20 H HIS 20 -7.500 -8.518 4.371 137 HA HIS 20 HA HIS 20 -8.747 -7.501 6.865 138 1HB HIS 20 2HB HIS 20 -8.854 -6.084 4.472 139 2HB HIS 20 1HB HIS 20 -10.384 -6.963 4.498 140 HD1 HIS 20 1HD HIS 20 -10.332 -3.887 4.916 141 HD2 HIS 20 2HD HIS 20 -10.275 -6.661 8.027 142 HE1 HIS 20 1HE HIS 20 -11.193 -2.679 6.970 143 H SER 21 H SER 21 -11.392 -8.004 5.368 144 HA SER 21 HA SER 21 -11.798 -10.721 6.190 145 1HB SER 21 2HB SER 21 -13.239 -8.647 4.571 146 2HB SER 21 1HB SER 21 -13.855 -10.297 4.563 147 HG SER 21 HG SER 21 -13.226 -9.620 7.062 148 H THR 22 H THR 22 -11.084 -9.240 3.036 149 HA THR 22 HA THR 22 -11.029 -11.917 1.740 150 HB THR 22 HB THR 22 -11.983 -9.522 0.938 151 HG1 THR 22 1HG THR 22 -12.003 -10.418 -1.071 152 1HG2 THR 22 1HG2 THR 22 -9.743 -8.473 1.026 153 2HG2 THR 22 2HG2 THR 22 -10.394 -8.475 -0.612 154 3HG2 THR 22 3HG2 THR 22 -9.158 -9.647 -0.151 155 H GLY 23 H GLY 23 -8.977 -10.429 3.679 156 1HA GLY 23 2HA GLY 23 -6.659 -11.019 3.938 157 2HA GLY 23 1HA GLY 23 -6.599 -11.426 2.221 158 H SER 24 H SER 24 -5.464 -9.983 1.028 159 HA SER 24 HA SER 24 -4.882 -7.300 2.104 160 1HB SER 24 2HB SER 24 -3.189 -8.789 1.032 161 2HB SER 24 1HB SER 24 -4.088 -8.683 -0.479 162 HG SER 24 HG SER 24 -3.158 -6.837 -0.811 163 H ILE 25 H ILE 25 -5.675 -5.379 1.237 164 HA ILE 25 HA ILE 25 -7.768 -5.646 -0.896 165 HB ILE 25 HB ILE 25 -7.446 -3.954 1.579 166 1HG1 ILE 25 2HG1 ILE 25 -9.315 -5.061 2.292 167 2HG1 ILE 25 1HG1 ILE 25 -10.055 -5.044 0.692 168 1HG2 ILE 25 1HG2 ILE 25 -8.200 -2.164 0.415 169 2HG2 ILE 25 2HG2 ILE 25 -9.742 -3.018 0.348 170 3HG2 ILE 25 3HG2 ILE 25 -8.604 -3.146 -0.994 171 1HD1 ILE 25 1HD1 ILE 25 -9.460 -7.199 0.449 172 2HD1 ILE 25 2HD1 ILE 25 -8.569 -7.163 1.972 173 3HD1 ILE 25 3HD1 ILE 25 -7.771 -6.690 0.471 174 H MET 26 H MET 26 -7.234 -4.649 -2.798 175 HA MET 26 HA MET 26 -5.168 -2.473 -2.719 176 1HB MET 26 2HB MET 26 -5.431 -4.958 -4.177 177 2HB MET 26 1HB MET 26 -5.354 -3.601 -5.303 178 1HG MET 26 2HG MET 26 -3.421 -2.968 -3.414 179 2HG MET 26 1HG MET 26 -3.257 -4.715 -3.593 180 1HE MET 26 1HE MET 26 -3.652 -5.059 -7.300 181 2HE MET 26 2HE MET 26 -4.451 -3.490 -7.350 182 3HE MET 26 3HE MET 26 -4.868 -4.643 -6.085 183 H LYS 27 H LYS 27 -5.931 -0.504 -3.358 184 HA LYS 27 HA LYS 27 -8.505 -0.397 -4.879 185 1HB LYS 27 2HB LYS 27 -8.095 2.117 -4.003 186 2HB LYS 27 1HB LYS 27 -8.813 0.875 -2.978 187 1HG LYS 27 2HG LYS 27 -6.359 0.308 -2.328 188 2HG LYS 27 1HG LYS 27 -5.982 1.903 -2.982 189 1HD LYS 27 2HD LYS 27 -6.421 1.995 -0.541 190 2HD LYS 27 1HD LYS 27 -7.602 2.936 -1.454 191 1HE LYS 27 2HE LYS 27 -9.037 0.761 -1.427 192 2HE LYS 27 1HE LYS 27 -7.973 0.269 -0.094 193 1HZ LYS 27 1HZ LYS 27 -8.510 2.883 0.427 194 2HZ LYS 27 2HZ LYS 27 -10.001 2.300 -0.140 195 H ARG 28 H ARG 28 -8.632 1.453 -6.490 196 HA ARG 28 HA ARG 28 -6.279 1.407 -8.246 197 1HB ARG 28 2HB ARG 28 -9.129 1.935 -8.357 198 2HB ARG 28 1HB ARG 28 -8.235 3.211 -9.183 199 1HG ARG 28 2HG ARG 28 -8.208 0.247 -9.746 200 2HG ARG 28 1HG ARG 28 -8.580 1.569 -10.854 201 1HD ARG 28 2HD ARG 28 -6.299 2.231 -11.008 202 2HD ARG 28 1HD ARG 28 -5.847 1.280 -9.579 203 HE ARG 28 HE ARG 28 -5.650 -0.573 -11.020 204 1HH1 ARG 28 1HH1 ARG 28 -7.905 1.740 -12.227 205 1HH2 ARG 28 1HH2 ARG 28 -6.105 -1.762 -12.887 206 2HH2 ARG 28 2HH2 ARG 28 -7.243 -1.143 -14.036 207 H LYS 29 H LYS 29 -4.720 2.974 -8.273 208 HA LYS 29 HA LYS 29 -4.700 5.161 -6.401 209 1HB LYS 29 2HB LYS 29 -2.532 4.903 -6.969 210 2HB LYS 29 1HB LYS 29 -2.996 3.855 -8.310 211 1HG LYS 29 2HG LYS 29 -3.120 5.649 -9.831 212 2HG LYS 29 1HG LYS 29 -3.232 6.850 -8.544 213 1HD LYS 29 2HD LYS 29 -0.977 6.950 -8.273 214 2HD LYS 29 1HD LYS 29 -0.785 5.206 -8.458 215 1HE LYS 29 2HE LYS 29 -0.121 7.146 -10.371 216 2HE LYS 29 1HE LYS 29 -0.285 5.404 -10.671 217 1HZ LYS 29 1HZ LYS 29 -2.040 7.521 -11.420 218 2HZ LYS 29 2HZ LYS 29 -2.054 5.893 -11.906 219 H LYS 30 H LYS 30 -5.212 5.034 -9.939 220 HA LYS 30 HA LYS 30 -5.400 7.714 -10.610 221 1HB LYS 30 2HB LYS 30 -7.363 6.771 -12.108 222 2HB LYS 30 1HB LYS 30 -5.720 6.171 -12.335 223 1HG LYS 30 2HG LYS 30 -6.160 4.190 -11.093 224 2HG LYS 30 1HG LYS 30 -7.664 4.842 -10.441 225 1HD LYS 30 2HD LYS 30 -8.735 3.833 -12.148 226 2HD LYS 30 1HD LYS 30 -7.963 4.997 -13.225 227 1HE LYS 30 2HE LYS 30 -6.170 3.508 -13.727 228 2HE LYS 30 1HE LYS 30 -6.575 2.444 -12.366 229 1HZ LYS 30 1HZ LYS 30 -8.471 3.030 -14.568 230 2HZ LYS 30 2HZ LYS 30 -7.420 1.697 -14.600 231 H ASP 31 H ASP 31 -8.162 5.756 -9.410 232 HA ASP 31 HA ASP 31 -9.459 8.323 -8.548 233 1HB ASP 31 2HB ASP 31 -10.293 6.183 -10.212 234 2HB ASP 31 1HB ASP 31 -11.240 6.059 -8.730 235 H ASP 32 H ASP 32 -7.675 5.962 -7.245 236 HA ASP 32 HA ASP 32 -7.516 5.020 -5.084 237 1HB ASP 32 2HB ASP 32 -8.277 6.504 -3.358 238 2HB ASP 32 1HB ASP 32 -7.833 7.532 -4.721 239 H TRP 33 H TRP 33 -9.286 3.627 -6.722 240 HA TRP 33 HA TRP 33 -11.904 3.319 -5.460 241 1HB TRP 33 2HB TRP 33 -10.550 1.367 -7.318 242 2HB TRP 33 1HB TRP 33 -12.258 1.798 -7.229 243 HD1 TRP 33 HD TRP 33 -8.898 3.542 -8.045 244 HE1 TRP 33 1HE TRP 33 -9.327 5.263 -9.917 245 HE3 TRP 33 3HE TRP 33 -13.945 3.001 -8.603 246 HZ2 TRP 33 2HZ TRP 33 -11.520 6.278 -11.446 247 HZ3 TRP 33 3HZ TRP 33 -15.177 4.357 -10.271 248 HH2 TRP 33 HH TRP 33 -13.974 5.994 -11.692 249 H VAL 34 H VAL 34 -12.590 1.276 -4.413 250 HA VAL 34 HA VAL 34 -10.325 -0.235 -3.156 251 HB VAL 34 HB VAL 34 -11.228 1.405 -1.596 252 1HG1 VAL 34 1HG1 VAL 34 -13.788 0.443 -2.754 253 2HG1 VAL 34 2HG1 VAL 34 -13.344 2.052 -2.184 254 3HG1 VAL 34 3HG1 VAL 34 -13.809 0.804 -1.028 255 1HG2 VAL 34 1HG2 VAL 34 -10.877 -1.159 -0.992 256 2HG2 VAL 34 2HG2 VAL 34 -12.621 -1.105 -0.735 257 3HG2 VAL 34 3HG2 VAL 34 -11.560 -0.042 0.190 258 H ASN 35 H ASN 35 -10.756 -2.465 -2.804 259 HA ASN 35 HA ASN 35 -12.556 -3.777 -4.598 260 1HB ASN 35 2HB ASN 35 -10.942 -5.251 -3.969 261 2HB ASN 35 1HB ASN 35 -10.660 -4.411 -2.444 262 1HD2 ASN 35 1HD2 ASN 35 -10.610 -7.006 -1.972 263 2HD2 ASN 35 2HD2 ASN 35 -12.081 -7.619 -1.387 264 H ALA 36 H ALA 36 -14.740 -3.161 -4.307 265 HA ALA 36 HA ALA 36 -16.193 -2.606 -2.028 266 1HB ALA 36 1HB ALA 36 -17.995 -2.924 -3.422 267 2HB ALA 36 2HB ALA 36 -17.434 -4.511 -3.950 268 3HB ALA 36 3HB ALA 36 -16.729 -3.050 -4.642 269 H THR 37 H THR 37 -14.856 -5.726 -2.924 270 HA THR 37 HA THR 37 -16.508 -7.420 -1.307 271 HB THR 37 HB THR 37 -13.563 -7.654 -2.015 272 HG1 THR 37 1HG THR 37 -15.932 -7.995 -3.439 273 1HG2 THR 37 1HG2 THR 37 -14.139 -10.121 -1.940 274 2HG2 THR 37 2HG2 THR 37 -15.676 -9.663 -1.207 275 3HG2 THR 37 3HG2 THR 37 -14.162 -9.306 -0.377 276 H HIS 38 H HIS 38 -13.333 -5.926 -0.607 277 HA HIS 38 HA HIS 38 -13.118 -6.754 2.109 278 1HB HIS 38 2HB HIS 38 -11.203 -5.824 1.101 279 2HB HIS 38 1HB HIS 38 -12.102 -4.460 0.437 280 HD1 HIS 38 1HD HIS 38 -10.245 -2.935 1.641 281 HD2 HIS 38 2HD HIS 38 -12.762 -5.055 4.200 282 HE1 HIS 38 1HE HIS 38 -9.995 -1.878 3.928 283 H ILE 39 H ILE 39 -14.956 -4.212 0.560 284 HA ILE 39 HA ILE 39 -15.737 -2.949 3.121 285 HB ILE 39 HB ILE 39 -15.981 -2.458 0.181 286 1HG1 ILE 39 2HG1 ILE 39 -15.685 -0.067 1.565 287 2HG1 ILE 39 1HG1 ILE 39 -14.807 -1.227 2.563 288 1HG2 ILE 39 1HG2 ILE 39 -18.079 -1.844 2.168 289 2HG2 ILE 39 2HG2 ILE 39 -18.184 -1.939 0.410 290 3HG2 ILE 39 3HG2 ILE 39 -17.572 -0.475 1.181 291 1HD1 ILE 39 1HD1 ILE 39 -13.710 -2.035 0.394 292 2HD1 ILE 39 2HD1 ILE 39 -13.217 -0.443 0.970 293 3HD1 ILE 39 3HD1 ILE 39 -14.369 -0.582 -0.357 294 H LEU 40 H LEU 40 -17.276 -4.654 0.390 295 HA LEU 40 HA LEU 40 -19.803 -4.951 1.908 296 1HB LEU 40 2HB LEU 40 -18.834 -5.602 -0.885 297 2HB LEU 40 1HB LEU 40 -20.433 -6.080 -0.315 298 HG LEU 40 HG LEU 40 -21.187 -4.024 -0.822 299 1HD1 LEU 40 1HD1 LEU 40 -19.751 -2.118 0.533 300 2HD1 LEU 40 2HD1 LEU 40 -19.398 -3.566 1.478 301 3HD1 LEU 40 3HD1 LEU 40 -21.068 -3.058 1.234 302 1HD2 LEU 40 1HD2 LEU 40 -19.223 -3.988 -2.420 303 2HD2 LEU 40 2HD2 LEU 40 -18.323 -3.101 -1.189 304 3HD2 LEU 40 3HD2 LEU 40 -19.771 -2.393 -1.904 305 H LYS 41 H LYS 41 -17.396 -7.082 0.317 306 HA LYS 41 HA LYS 41 -18.491 -9.544 1.333 307 1HB LYS 41 2HB LYS 41 -17.079 -9.879 -0.458 308 2HB LYS 41 1HB LYS 41 -16.013 -8.554 0.009 309 1HG LYS 41 2HG LYS 41 -14.958 -10.815 0.272 310 2HG LYS 41 1HG LYS 41 -15.027 -9.897 1.775 311 1HD LYS 41 2HD LYS 41 -16.570 -11.299 2.724 312 2HD LYS 41 1HD LYS 41 -17.373 -11.623 1.186 313 1HE LYS 41 2HE LYS 41 -16.248 -13.667 1.918 314 2HE LYS 41 1HE LYS 41 -15.360 -13.015 0.525 315 1HZ LYS 41 1HZ LYS 41 -13.601 -12.553 1.789 316 2HZ LYS 41 2HZ LYS 41 -14.549 -11.818 2.991 317 H ALA 42 H ALA 42 -16.376 -7.115 2.669 318 HA ALA 42 HA ALA 42 -15.119 -8.670 4.732 319 1HB ALA 42 1HB ALA 42 -14.386 -6.437 3.980 320 2HB ALA 42 2HB ALA 42 -14.724 -6.414 5.710 321 3HB ALA 42 3HB ALA 42 -15.890 -5.735 4.575 322 H ALA 43 H ALA 43 -18.299 -7.243 4.403 323 HA ALA 43 HA ALA 43 -18.932 -8.055 7.223 324 1HB ALA 43 1HB ALA 43 -19.074 -5.587 6.048 325 2HB ALA 43 2HB ALA 43 -20.067 -6.081 7.420 326 3HB ALA 43 3HB ALA 43 -20.712 -6.183 5.781 327 H ASN 44 H ASN 44 -19.255 -9.190 4.166 328 HA ASN 44 HA ASN 44 -21.919 -10.414 4.783 329 1HB ASN 44 2HB ASN 44 -22.621 -9.982 2.523 330 2HB ASN 44 1HB ASN 44 -21.957 -8.468 3.137 331 1HD2 ASN 44 1HD2 ASN 44 -21.117 -7.611 1.170 332 2HD2 ASN 44 2HD2 ASN 44 -19.909 -8.381 0.260 333 H PHE 45 H PHE 45 -18.904 -10.615 2.884 334 HA PHE 45 HA PHE 45 -17.601 -12.674 2.728 335 1HB PHE 45 2HB PHE 45 -19.324 -13.508 4.460 336 2HB PHE 45 1HB PHE 45 -20.255 -14.084 3.077 337 HD1 PHE 45 1HD PHE 45 -19.274 -15.782 1.526 338 HD2 PHE 45 2HD PHE 45 -17.323 -14.623 5.172 339 HE1 PHE 45 1HE PHE 45 -17.839 -17.800 1.399 340 HE2 PHE 45 2HE PHE 45 -15.888 -16.641 5.046 341 HZ PHE 45 HZ PHE 45 -16.145 -18.229 3.160 342 H ALA 46 H ALA 46 -17.321 -14.045 0.824 343 HA ALA 46 HA ALA 46 -18.723 -13.039 -1.535 344 1HB ALA 46 1HB ALA 46 -16.906 -13.937 -2.604 345 2HB ALA 46 2HB ALA 46 -17.003 -15.449 -1.702 346 3HB ALA 46 3HB ALA 46 -16.243 -14.035 -0.973 347 H LYS 47 H LYS 47 -20.885 -13.719 -1.269 348 HA LYS 47 HA LYS 47 -21.381 -16.569 -1.958 349 1HB LYS 47 2HB LYS 47 -22.476 -15.033 0.422 350 2HB LYS 47 1HB LYS 47 -23.185 -16.542 -0.154 351 1HG LYS 47 2HG LYS 47 -21.358 -17.813 0.501 352 2HG LYS 47 1HG LYS 47 -20.236 -16.458 0.365 353 1HD LYS 47 2HD LYS 47 -20.828 -15.582 2.439 354 2HD LYS 47 1HD LYS 47 -22.418 -16.345 2.421 355 1HE LYS 47 2HE LYS 47 -21.370 -18.561 2.749 356 2HE LYS 47 1HE LYS 47 -19.769 -17.795 2.774 357 1HZ LYS 47 1HZ LYS 47 -21.414 -16.326 4.464 358 2HZ LYS 47 2HZ LYS 47 -21.662 -17.958 4.861 359 H ALA 48 H ALA 48 -24.174 -16.464 -1.942 360 HA ALA 48 HA ALA 48 -24.841 -15.056 -4.298 361 1HB ALA 48 1HB ALA 48 -26.152 -16.489 -2.132 362 2HB ALA 48 2HB ALA 48 -26.652 -16.345 -3.818 363 3HB ALA 48 3HB ALA 48 -27.135 -15.118 -2.647 364 H LYS 49 H LYS 49 -24.453 -13.987 -1.021 365 HA LYS 49 HA LYS 49 -25.871 -11.472 -1.198 366 1HB LYS 49 2HB LYS 49 -24.117 -12.959 0.613 367 2HB LYS 49 1HB LYS 49 -23.789 -11.226 0.650 368 1HG LYS 49 2HG LYS 49 -26.652 -12.041 0.678 369 2HG LYS 49 1HG LYS 49 -25.724 -12.357 2.145 370 1HD LYS 49 2HD LYS 49 -25.467 -9.671 0.844 371 2HD LYS 49 1HD LYS 49 -26.919 -10.016 1.783 372 1HE LYS 49 2HE LYS 49 -24.555 -10.921 3.210 373 2HE LYS 49 1HE LYS 49 -24.440 -9.193 2.817 374 1HZ LYS 49 1HZ LYS 49 -25.739 -9.809 4.901 375 2HZ LYS 49 2HZ LYS 49 -26.940 -10.392 3.850 376 H ARG 50 H ARG 50 -22.388 -12.338 -1.455 377 HA ARG 50 HA ARG 50 -21.436 -9.744 -2.140 378 1HB ARG 50 2HB ARG 50 -20.480 -12.372 -1.799 379 2HB ARG 50 1HB ARG 50 -20.004 -11.912 -3.435 380 1HG ARG 50 2HG ARG 50 -18.424 -11.298 -1.445 381 2HG ARG 50 1HG ARG 50 -18.731 -10.090 -2.692 382 1HD ARG 50 2HD ARG 50 -20.831 -9.717 -0.889 383 2HD ARG 50 1HD ARG 50 -19.416 -10.005 0.143 384 HE ARG 50 HE ARG 50 -18.859 -7.790 -0.494 385 1HH1 ARG 50 1HH1 ARG 50 -20.029 -9.669 -3.137 386 1HH2 ARG 50 1HH2 ARG 50 -18.363 -6.213 -2.034 387 2HH2 ARG 50 2HH2 ARG 50 -18.712 -6.511 -3.704 388 H THR 51 H THR 51 -23.058 -12.210 -4.051 389 HA THR 51 HA THR 51 -22.294 -11.245 -6.660 390 HB THR 51 HB THR 51 -23.344 -13.479 -5.933 391 HG1 THR 51 1HG THR 51 -23.531 -13.549 -8.007 392 1HG2 THR 51 1HG2 THR 51 -25.287 -11.876 -4.878 393 2HG2 THR 51 2HG2 THR 51 -25.517 -13.579 -5.271 394 3HG2 THR 51 3HG2 THR 51 -26.023 -12.335 -6.414 395 H ARG 52 H ARG 52 -24.945 -10.506 -4.420 396 HA ARG 52 HA ARG 52 -26.071 -8.494 -6.299 397 1HB ARG 52 2HB ARG 52 -26.929 -10.122 -4.038 398 2HB ARG 52 1HB ARG 52 -27.399 -8.435 -3.825 399 1HG ARG 52 2HG ARG 52 -28.423 -8.440 -6.076 400 2HG ARG 52 1HG ARG 52 -27.972 -10.134 -6.271 401 1HD ARG 52 2HD ARG 52 -29.720 -10.848 -4.999 402 2HD ARG 52 1HD ARG 52 -29.435 -9.600 -3.770 403 HE ARG 52 HE ARG 52 -30.806 -9.023 -6.372 404 1HH1 ARG 52 1HH1 ARG 52 -30.282 -8.617 -2.988 405 1HH2 ARG 52 1HH2 ARG 52 -32.436 -7.474 -6.149 406 2HH2 ARG 52 2HH2 ARG 52 -32.747 -6.782 -4.593 407 H ILE 53 H ILE 53 -25.002 -8.603 -2.891 408 HA ILE 53 HA ILE 53 -24.938 -5.893 -2.259 409 HB ILE 53 HB ILE 53 -23.751 -8.353 -1.373 410 1HG1 ILE 53 2HG1 ILE 53 -23.777 -5.769 0.178 411 2HG1 ILE 53 1HG1 ILE 53 -25.289 -6.578 -0.232 412 1HG2 ILE 53 1HG2 ILE 53 -21.611 -7.479 -2.150 413 2HG2 ILE 53 2HG2 ILE 53 -21.658 -7.407 -0.389 414 3HG2 ILE 53 3HG2 ILE 53 -21.911 -5.943 -1.338 415 1HD1 ILE 53 1HD1 ILE 53 -24.884 -8.347 1.173 416 2HD1 ILE 53 2HD1 ILE 53 -23.913 -7.141 2.016 417 3HD1 ILE 53 3HD1 ILE 53 -23.141 -8.284 0.919 418 H LEU 54 H LEU 54 -22.259 -7.730 -3.790 419 HA LEU 54 HA LEU 54 -20.625 -5.407 -4.314 420 1HB LEU 54 2HB LEU 54 -19.503 -7.462 -4.310 421 2HB LEU 54 1HB LEU 54 -20.786 -8.274 -5.208 422 HG LEU 54 HG LEU 54 -18.744 -7.890 -6.591 423 1HD1 LEU 54 1HD1 LEU 54 -21.242 -7.800 -7.410 424 2HD1 LEU 54 2HD1 LEU 54 -19.949 -7.315 -8.507 425 3HD1 LEU 54 3HD1 LEU 54 -20.897 -6.090 -7.664 426 1HD2 LEU 54 1HD2 LEU 54 -18.740 -5.288 -7.315 427 2HD2 LEU 54 2HD2 LEU 54 -17.729 -5.910 -6.011 428 3HD2 LEU 54 3HD2 LEU 54 -19.259 -5.116 -5.639 429 H GLU 55 H GLU 55 -22.557 -7.448 -6.521 430 HA GLU 55 HA GLU 55 -22.370 -5.880 -8.853 431 1HB GLU 55 2HB GLU 55 -23.726 -8.139 -7.938 432 2HB GLU 55 1HB GLU 55 -25.020 -7.034 -8.403 433 1HG GLU 55 2HG GLU 55 -23.035 -6.850 -10.420 434 2HG GLU 55 1HG GLU 55 -23.275 -8.569 -10.103 435 H LYS 56 H LYS 56 -24.929 -5.728 -6.338 436 HA LYS 56 HA LYS 56 -26.265 -3.440 -7.470 437 1HB LYS 56 2HB LYS 56 -27.624 -3.671 -5.591 438 2HB LYS 56 1HB LYS 56 -26.894 -5.276 -5.649 439 1HG LYS 56 2HG LYS 56 -25.875 -4.952 -3.668 440 2HG LYS 56 1HG LYS 56 -25.169 -3.435 -4.229 441 1HD LYS 56 2HD LYS 56 -26.706 -2.205 -3.121 442 2HD LYS 56 1HD LYS 56 -28.035 -3.189 -3.734 443 1HE LYS 56 2HE LYS 56 -27.957 -4.664 -1.926 444 2HE LYS 56 1HE LYS 56 -26.249 -4.317 -1.591 445 1HZ LYS 56 1HZ LYS 56 -27.897 -1.977 -1.496 446 2HZ LYS 56 2HZ LYS 56 -28.372 -3.138 -0.351 447 H GLU 57 H GLU 57 -23.615 -3.826 -5.162 448 HA GLU 57 HA GLU 57 -23.537 -0.947 -4.526 449 1HB GLU 57 2HB GLU 57 -22.110 -3.467 -3.740 450 2HB GLU 57 1HB GLU 57 -21.330 -1.920 -3.407 451 1HG GLU 57 2HG GLU 57 -22.868 -1.332 -1.819 452 2HG GLU 57 1HG GLU 57 -24.201 -2.109 -2.675 453 H VAL 58 H VAL 58 -21.410 -3.323 -6.159 454 HA VAL 58 HA VAL 58 -19.614 -1.239 -7.161 455 HB VAL 58 HB VAL 58 -19.480 -3.933 -6.628 456 1HG1 VAL 58 1HG1 VAL 58 -20.597 -4.747 -8.534 457 2HG1 VAL 58 2HG1 VAL 58 -18.899 -4.835 -9.000 458 3HG1 VAL 58 3HG1 VAL 58 -19.904 -3.509 -9.581 459 1HG2 VAL 58 1HG2 VAL 58 -17.398 -3.007 -6.647 460 2HG2 VAL 58 2HG2 VAL 58 -17.797 -1.906 -7.966 461 3HG2 VAL 58 3HG2 VAL 58 -17.350 -3.576 -8.317 462 H LEU 59 H LEU 59 -22.075 -3.415 -8.604 463 HA LEU 59 HA LEU 59 -21.894 -2.794 -11.299 464 1HB LEU 59 2HB LEU 59 -23.525 -4.320 -10.173 465 2HB LEU 59 1HB LEU 59 -24.428 -2.906 -9.628 466 HG LEU 59 HG LEU 59 -25.309 -3.977 -11.752 467 1HD1 LEU 59 1HD1 LEU 59 -25.359 -1.420 -10.983 468 2HD1 LEU 59 2HD1 LEU 59 -26.007 -1.921 -12.545 469 3HD1 LEU 59 3HD1 LEU 59 -24.393 -1.218 -12.445 470 1HD2 LEU 59 1HD2 LEU 59 -23.691 -2.848 -13.685 471 2HD2 LEU 59 2HD2 LEU 59 -23.679 -4.550 -13.225 472 3HD2 LEU 59 3HD2 LEU 59 -22.519 -3.434 -12.505 473 H LYS 60 H LYS 60 -23.561 -0.855 -8.800 474 HA LYS 60 HA LYS 60 -24.118 1.318 -10.708 475 1HB LYS 60 2HB LYS 60 -25.736 0.788 -8.989 476 2HB LYS 60 1HB LYS 60 -24.506 0.905 -7.732 477 1HG LYS 60 2HG LYS 60 -25.311 3.029 -7.502 478 2HG LYS 60 1HG LYS 60 -24.262 3.357 -8.881 479 1HD LYS 60 2HD LYS 60 -26.991 2.309 -9.468 480 2HD LYS 60 1HD LYS 60 -26.870 3.978 -8.910 481 1HE LYS 60 2HE LYS 60 -25.945 2.771 -11.468 482 2HE LYS 60 1HE LYS 60 -26.478 4.430 -11.127 483 1HZ LYS 60 1HZ LYS 60 -24.419 5.068 -10.573 484 2HZ LYS 60 2HZ LYS 60 -23.896 3.678 -11.398 485 H GLU 61 H GLU 61 -21.752 0.480 -8.266 486 HA GLU 61 HA GLU 61 -20.499 3.189 -8.484 487 1HB GLU 61 2HB GLU 61 -21.179 1.779 -6.303 488 2HB GLU 61 1HB GLU 61 -19.582 1.080 -6.574 489 1HG GLU 61 2HG GLU 61 -18.774 3.533 -6.794 490 2HG GLU 61 1HG GLU 61 -20.304 3.955 -6.023 491 H THR 62 H THR 62 -18.684 3.345 -9.738 492 HA THR 62 HA THR 62 -17.509 1.818 -11.528 493 HB THR 62 HB THR 62 -16.139 3.206 -9.217 494 HG1 THR 62 1HG THR 62 -16.106 3.992 -11.900 495 1HG2 THR 62 1HG2 THR 62 -14.321 3.110 -11.311 496 2HG2 THR 62 2HG2 THR 62 -14.989 1.478 -11.273 497 3HG2 THR 62 3HG2 THR 62 -14.236 2.158 -9.829 498 H HIS 63 H HIS 63 -18.206 -0.429 -10.984 499 HA HIS 63 HA HIS 63 -16.509 -1.799 -8.945 500 1HB HIS 63 2HB HIS 63 -18.197 -3.644 -9.396 501 2HB HIS 63 1HB HIS 63 -18.893 -2.155 -8.757 502 HD1 HIS 63 1HD HIS 63 -19.945 -0.492 -10.618 503 HD2 HIS 63 2HD HIS 63 -19.217 -4.401 -11.871 504 HE1 HIS 63 1HE HIS 63 -21.269 -0.819 -12.752 505 H GLU 64 H GLU 64 -14.773 -2.983 -9.670 506 HA GLU 64 HA GLU 64 -14.843 -4.032 -12.476 507 1HB GLU 64 2HB GLU 64 -12.890 -2.236 -11.079 508 2HB GLU 64 1HB GLU 64 -12.281 -3.362 -12.293 509 1HG GLU 64 2HG GLU 64 -13.103 -2.112 -13.981 510 2HG GLU 64 1HG GLU 64 -14.689 -2.017 -13.217 511 H LYS 65 H LYS 65 -13.781 -6.032 -12.737 512 HA LYS 65 HA LYS 65 -13.048 -7.436 -10.210 513 1HB LYS 65 2HB LYS 65 -14.770 -8.416 -11.655 514 2HB LYS 65 1HB LYS 65 -13.671 -8.365 -13.034 515 1HG LYS 65 2HG LYS 65 -12.176 -9.953 -11.973 516 2HG LYS 65 1HG LYS 65 -13.126 -9.914 -10.487 517 1HD LYS 65 2HD LYS 65 -15.105 -10.707 -11.907 518 2HD LYS 65 1HD LYS 65 -13.925 -11.044 -13.175 519 1HE LYS 65 2HE LYS 65 -14.243 -12.368 -10.491 520 2HE LYS 65 1HE LYS 65 -13.956 -13.107 -12.078 521 1HZ LYS 65 1HZ LYS 65 -11.807 -11.632 -11.946 522 2HZ LYS 65 2HZ LYS 65 -12.059 -11.790 -10.274 523 H VAL 66 H VAL 66 -10.897 -7.879 -9.808 524 HA VAL 66 HA VAL 66 -8.886 -7.123 -11.834 525 HB VAL 66 HB VAL 66 -7.356 -7.417 -9.927 526 1HG1 VAL 66 1HG1 VAL 66 -9.616 -6.143 -8.523 527 2HG1 VAL 66 2HG1 VAL 66 -9.337 -5.529 -10.152 528 3HG1 VAL 66 3HG1 VAL 66 -8.042 -5.477 -8.956 529 1HG2 VAL 66 1HG2 VAL 66 -8.960 -9.411 -9.119 530 2HG2 VAL 66 2HG2 VAL 66 -9.624 -8.121 -8.117 531 3HG2 VAL 66 3HG2 VAL 66 -7.916 -8.544 -7.991 532 H GLN 67 H GLN 67 -7.979 -8.617 -13.177 533 HA GLN 67 HA GLN 67 -7.703 -11.437 -12.242 534 1HB GLN 67 2HB GLN 67 -9.022 -10.449 -14.791 535 2HB GLN 67 1HB GLN 67 -8.616 -12.139 -14.485 536 1HG GLN 67 2HG GLN 67 -10.768 -10.465 -13.306 537 2HG GLN 67 1HG GLN 67 -10.746 -12.196 -13.644 538 1HE2 GLN 67 1HE2 GLN 67 -11.415 -10.643 -11.076 539 2HE2 GLN 67 2HE2 GLN 67 -10.428 -11.354 -9.893 540 H GLY 68 H GLY 68 -6.006 -12.584 -13.387 541 1HA GLY 68 2HA GLY 68 -4.197 -12.744 -14.965 542 2HA GLY 68 1HA GLY 68 -4.396 -11.029 -15.328 543 H GLY 69 H GLY 69 -4.564 -11.080 -12.088 544 1HA GLY 69 2HA GLY 69 -2.832 -11.207 -10.378 545 2HA GLY 69 1HA GLY 69 -1.617 -11.131 -11.655 546 H PHE 70 H PHE 70 -3.832 -8.930 -12.599 547 HA PHE 70 HA PHE 70 -2.285 -6.696 -11.374 548 1HB PHE 70 2HB PHE 70 -4.317 -6.277 -13.509 549 2HB PHE 70 1HB PHE 70 -2.686 -5.619 -13.369 550 HD1 PHE 70 1HD PHE 70 -0.705 -7.081 -13.894 551 HD2 PHE 70 2HD PHE 70 -4.743 -8.292 -14.719 552 HE1 PHE 70 1HE PHE 70 0.135 -8.831 -15.438 553 HE2 PHE 70 2HE PHE 70 -3.903 -10.041 -16.264 554 HZ PHE 70 HZ PHE 70 -1.464 -10.310 -16.623 555 H GLY 71 H GLY 71 -3.457 -6.804 -9.293 556 1HA GLY 71 2HA GLY 71 -5.042 -5.562 -7.982 557 2HA GLY 71 1HA GLY 71 -6.022 -5.332 -9.430 558 H LYS 72 H LYS 72 -4.790 -8.506 -8.729 559 HA LYS 72 HA LYS 72 -7.457 -9.641 -8.673 560 1HB LYS 72 2HB LYS 72 -5.949 -11.177 -9.466 561 2HB LYS 72 1HB LYS 72 -4.622 -10.501 -8.521 562 1HG LYS 72 2HG LYS 72 -6.845 -12.284 -7.484 563 2HG LYS 72 1HG LYS 72 -5.149 -12.726 -7.673 564 1HD LYS 72 2HD LYS 72 -4.979 -10.438 -6.147 565 2HD LYS 72 1HD LYS 72 -6.452 -11.187 -5.531 566 1HE LYS 72 2HE LYS 72 -4.332 -11.942 -4.354 567 2HE LYS 72 1HE LYS 72 -5.263 -13.270 -5.076 568 1HZ LYS 72 1HZ LYS 72 -2.756 -13.081 -5.611 569 2HZ LYS 72 2HZ LYS 72 -3.841 -13.414 -6.874 570 H TYR 73 H TYR 73 -5.527 -8.122 -6.323 571 HA TYR 73 HA TYR 73 -6.528 -9.648 -4.019 572 1HB TYR 73 2HB TYR 73 -4.468 -7.767 -4.643 573 2HB TYR 73 1HB TYR 73 -5.460 -7.060 -3.367 574 HD1 TYR 73 1HD TYR 73 -2.516 -8.403 -3.428 575 HD2 TYR 73 2HD TYR 73 -6.402 -9.589 -2.036 576 HE1 TYR 73 1HE TYR 73 -1.460 -9.913 -1.768 577 HE2 TYR 73 2HE TYR 73 -5.347 -11.099 -0.375 578 HH TYR 73 HH TYR 73 -3.444 -11.819 0.503 579 H GLN 74 H GLN 74 -7.417 -6.840 -5.911 580 HA GLN 74 HA GLN 74 -9.401 -5.943 -3.888 581 1HB GLN 74 2HB GLN 74 -8.877 -4.835 -6.653 582 2HB GLN 74 1HB GLN 74 -9.513 -3.985 -5.244 583 1HG GLN 74 2HG GLN 74 -7.091 -3.484 -5.739 584 2HG GLN 74 1HG GLN 74 -7.379 -4.117 -4.118 585 1HE2 GLN 74 1HE2 GLN 74 -6.228 -5.055 -7.372 586 2HE2 GLN 74 2HE2 GLN 74 -5.361 -6.416 -6.848 587 H GLY 75 H GLY 75 -9.313 -7.070 -7.287 588 1HA GLY 75 2HA GLY 75 -10.941 -8.273 -8.491 589 2HA GLY 75 1HA GLY 75 -11.818 -8.496 -6.975 590 H THR 76 H THR 76 -13.381 -6.957 -6.364 591 HA THR 76 HA THR 76 -14.258 -5.151 -8.578 592 HB THR 76 HB THR 76 -15.758 -6.046 -6.102 593 HG1 THR 76 1HG THR 76 -15.691 -7.246 -8.671 594 1HG2 THR 76 1HG2 THR 76 -16.376 -4.539 -8.565 595 2HG2 THR 76 2HG2 THR 76 -17.168 -4.498 -6.991 596 3HG2 THR 76 3HG2 THR 76 -17.554 -5.780 -8.138 597 H TRP 77 H TRP 77 -12.423 -3.665 -7.740 598 HA TRP 77 HA TRP 77 -12.764 -2.380 -5.151 599 1HB TRP 77 2HB TRP 77 -11.155 -0.724 -6.560 600 2HB TRP 77 1HB TRP 77 -10.581 -2.234 -5.856 601 HD1 TRP 77 HD TRP 77 -12.910 -2.475 -8.813 602 HE1 TRP 77 1HE TRP 77 -11.599 -3.304 -10.872 603 HE3 TRP 77 3HE TRP 77 -8.146 -2.186 -7.000 604 HZ2 TRP 77 2HZ TRP 77 -8.888 -3.782 -11.647 605 HZ3 TRP 77 3HZ TRP 77 -6.220 -2.833 -8.418 606 HH2 TRP 77 HH TRP 77 -6.585 -3.631 -10.737 607 H VAL 78 H VAL 78 -13.221 -0.022 -4.953 608 HA VAL 78 HA VAL 78 -14.918 1.100 -7.139 609 HB VAL 78 HB VAL 78 -16.279 1.764 -4.835 610 1HG1 VAL 78 1HG1 VAL 78 -17.319 0.968 -6.888 611 2HG1 VAL 78 2HG1 VAL 78 -17.869 -0.039 -5.548 612 3HG1 VAL 78 3HG1 VAL 78 -16.632 -0.638 -6.653 613 1HG2 VAL 78 1HG2 VAL 78 -16.517 -0.524 -3.702 614 2HG2 VAL 78 2HG2 VAL 78 -15.024 0.354 -3.370 615 3HG2 VAL 78 3HG2 VAL 78 -15.026 -0.974 -4.531 616 HA PRO 79 HA PRO 79 -13.069 4.980 -6.320 617 1HB PRO 79 2HB PRO 79 -15.741 6.140 -5.706 618 2HB PRO 79 1HB PRO 79 -14.558 6.627 -6.935 619 1HG PRO 79 2HG PRO 79 -16.819 5.317 -7.554 620 2HG PRO 79 1HG PRO 79 -15.315 5.112 -8.464 621 1HD PRO 79 2HD PRO 79 -16.630 3.266 -6.560 622 2HD PRO 79 1HD PRO 79 -15.564 2.910 -7.936 623 H LEU 80 H LEU 80 -11.961 5.101 -4.381 624 HA LEU 80 HA LEU 80 -12.831 4.386 -1.828 625 1HB LEU 80 2HB LEU 80 -10.609 4.845 -1.738 626 2HB LEU 80 1HB LEU 80 -10.718 5.994 -3.072 627 HG LEU 80 HG LEU 80 -12.000 7.399 -1.141 628 1HD1 LEU 80 1HD1 LEU 80 -10.879 5.234 0.256 629 2HD1 LEU 80 2HD1 LEU 80 -11.525 6.718 0.954 630 3HD1 LEU 80 3HD1 LEU 80 -9.806 6.596 0.579 631 1HD2 LEU 80 1HD2 LEU 80 -10.266 8.815 -1.498 632 2HD2 LEU 80 2HD2 LEU 80 -9.619 7.563 -2.558 633 3HD2 LEU 80 3HD2 LEU 80 -9.091 7.655 -0.878 634 H ASN 81 H ASN 81 -13.416 7.410 -3.568 635 HA ASN 81 HA ASN 81 -14.348 8.961 -1.326 636 1HB ASN 81 2HB ASN 81 -13.923 9.214 -4.112 637 2HB ASN 81 1HB ASN 81 -15.623 9.602 -3.846 638 1HD2 ASN 81 1HD2 ASN 81 -13.030 10.148 -1.455 639 2HD2 ASN 81 2HD2 ASN 81 -13.145 11.841 -1.473 640 H ILE 82 H ILE 82 -15.914 6.729 -3.584 641 HA ILE 82 HA ILE 82 -18.536 7.142 -2.218 642 HB ILE 82 HB ILE 82 -17.804 5.552 -4.701 643 1HG1 ILE 82 2HG1 ILE 82 -18.031 8.432 -4.232 644 2HG1 ILE 82 1HG1 ILE 82 -17.415 7.573 -5.645 645 1HG2 ILE 82 1HG2 ILE 82 -19.960 4.931 -3.735 646 2HG2 ILE 82 2HG2 ILE 82 -20.231 5.870 -5.203 647 3HG2 ILE 82 3HG2 ILE 82 -20.429 6.627 -3.623 648 1HD1 ILE 82 1HD1 ILE 82 -20.316 7.315 -5.342 649 2HD1 ILE 82 2HD1 ILE 82 -19.373 7.787 -6.757 650 3HD1 ILE 82 3HD1 ILE 82 -19.796 8.989 -5.538 651 H ALA 83 H ALA 83 -16.070 4.700 -2.940 652 HA ALA 83 HA ALA 83 -17.451 2.411 -1.914 653 1HB ALA 83 1HB ALA 83 -14.582 3.234 -2.347 654 2HB ALA 83 2HB ALA 83 -15.535 2.050 -3.242 655 3HB ALA 83 3HB ALA 83 -14.962 1.673 -1.616 656 H LYS 84 H LYS 84 -14.870 4.373 -0.334 657 HA LYS 84 HA LYS 84 -15.120 3.207 2.240 658 1HB LYS 84 2HB LYS 84 -13.604 5.138 0.950 659 2HB LYS 84 1HB LYS 84 -14.473 6.070 2.170 660 1HG LYS 84 2HG LYS 84 -13.579 4.806 3.949 661 2HG LYS 84 1HG LYS 84 -13.104 3.482 2.885 662 1HD LYS 84 2HD LYS 84 -11.159 4.499 2.271 663 2HD LYS 84 1HD LYS 84 -11.895 6.102 2.237 664 1HE LYS 84 2HE LYS 84 -11.985 5.529 4.924 665 2HE LYS 84 1HE LYS 84 -10.464 4.753 4.436 666 1HZ LYS 84 1HZ LYS 84 -9.669 6.845 4.554 667 2HZ LYS 84 2HZ LYS 84 -10.375 7.010 3.018 668 H GLN 85 H GLN 85 -16.986 5.768 0.668 669 HA GLN 85 HA GLN 85 -18.304 6.716 3.063 670 1HB GLN 85 2HB GLN 85 -18.070 7.974 0.937 671 2HB GLN 85 1HB GLN 85 -19.110 6.795 0.140 672 1HG GLN 85 2HG GLN 85 -20.312 7.827 2.590 673 2HG GLN 85 1HG GLN 85 -19.961 9.111 1.432 674 1HE2 GLN 85 1HE2 GLN 85 -20.304 7.496 -0.976 675 2HE2 GLN 85 2HE2 GLN 85 -21.957 7.132 -1.106 676 H LEU 86 H LEU 86 -18.840 4.068 0.833 677 HA LEU 86 HA LEU 86 -21.558 3.522 1.854 678 1HB LEU 86 2HB LEU 86 -20.203 3.110 -0.509 679 2HB LEU 86 1HB LEU 86 -20.171 1.506 0.226 680 HG LEU 86 HG LEU 86 -22.742 3.044 0.237 681 1HD1 LEU 86 1HD1 LEU 86 -22.385 1.243 -2.060 682 2HD1 LEU 86 2HD1 LEU 86 -21.387 2.695 -2.138 683 3HD1 LEU 86 3HD1 LEU 86 -23.139 2.835 -1.987 684 1HD2 LEU 86 1HD2 LEU 86 -21.928 0.542 1.108 685 2HD2 LEU 86 2HD2 LEU 86 -22.691 0.190 -0.443 686 3HD2 LEU 86 3HD2 LEU 86 -23.599 1.025 0.817 687 H ALA 87 H ALA 87 -18.294 2.120 2.012 688 HA ALA 87 HA ALA 87 -19.173 -0.027 3.831 689 1HB ALA 87 1HB ALA 87 -17.334 -0.974 2.923 690 2HB ALA 87 2HB ALA 87 -16.321 0.297 3.610 691 3HB ALA 87 3HB ALA 87 -17.049 0.512 2.018 692 H GLU 88 H GLU 88 -16.676 2.555 4.060 693 HA GLU 88 HA GLU 88 -15.909 2.495 6.647 694 1HB GLU 88 2HB GLU 88 -15.225 4.607 6.187 695 2HB GLU 88 1HB GLU 88 -15.928 4.315 4.604 696 1HG GLU 88 2HG GLU 88 -17.756 5.635 5.016 697 2HG GLU 88 1HG GLU 88 -17.812 5.195 6.723 698 H LYS 89 H LYS 89 -19.182 3.150 5.585 699 HA LYS 89 HA LYS 89 -20.149 4.352 8.027 700 1HB LYS 89 2HB LYS 89 -21.579 4.679 6.239 701 2HB LYS 89 1HB LYS 89 -21.234 3.095 5.546 702 1HG LYS 89 2HG LYS 89 -22.984 2.150 6.610 703 2HG LYS 89 1HG LYS 89 -22.519 2.871 8.151 704 1HD LYS 89 2HD LYS 89 -24.175 4.123 5.951 705 2HD LYS 89 1HD LYS 89 -24.662 3.791 7.613 706 1HE LYS 89 2HE LYS 89 -24.173 6.094 7.693 707 2HE LYS 89 1HE LYS 89 -22.634 5.380 8.213 708 1HZ LYS 89 1HZ LYS 89 -23.036 5.549 5.346 709 2HZ LYS 89 2HZ LYS 89 -22.850 7.042 6.133 710 H PHE 90 H PHE 90 -21.818 1.487 7.075 711 HA PHE 90 HA PHE 90 -21.089 0.204 9.682 712 1HB PHE 90 2HB PHE 90 -23.515 0.966 8.640 713 2HB PHE 90 1HB PHE 90 -23.446 -0.733 8.171 714 HD1 PHE 90 1HD PHE 90 -23.810 -2.449 9.758 715 HD2 PHE 90 2HD PHE 90 -23.072 1.568 11.085 716 HE1 PHE 90 1HE PHE 90 -24.364 -3.115 12.081 717 HE2 PHE 90 2HE PHE 90 -23.626 0.904 13.408 718 HZ PHE 90 HZ PHE 90 -24.272 -1.438 13.908 719 H SER 91 H SER 91 -20.308 0.013 6.482 720 HA SER 91 HA SER 91 -20.564 -2.827 5.982 721 1HB SER 91 2HB SER 91 -18.612 -0.936 4.682 722 2HB SER 91 1HB SER 91 -19.483 -2.282 3.952 723 HG SER 91 HG SER 91 -20.440 0.256 4.747 724 H VAL 92 H VAL 92 -17.500 -0.993 6.056 725 HA VAL 92 HA VAL 92 -16.305 -3.248 7.632 726 HB VAL 92 HB VAL 92 -14.345 -1.774 6.184 727 1HG1 VAL 92 1HG1 VAL 92 -15.631 -4.493 5.835 728 2HG1 VAL 92 2HG1 VAL 92 -14.111 -4.118 6.647 729 3HG1 VAL 92 3HG1 VAL 92 -14.237 -3.963 4.895 730 1HG2 VAL 92 1HG2 VAL 92 -16.387 -0.980 4.887 731 2HG2 VAL 92 2HG2 VAL 92 -16.635 -2.660 4.409 732 3HG2 VAL 92 3HG2 VAL 92 -15.166 -1.812 3.925 733 H TYR 93 H TYR 93 -17.405 -0.262 8.126 734 HA TYR 93 HA TYR 93 -15.510 1.509 9.018 735 1HB TYR 93 2HB TYR 93 -17.387 2.389 9.916 736 2HB TYR 93 1HB TYR 93 -18.223 0.885 9.528 737 HD1 TYR 93 1HD TYR 93 -19.339 -0.099 11.311 738 HD2 TYR 93 2HD TYR 93 -15.681 2.028 12.050 739 HE1 TYR 93 1HE TYR 93 -19.523 -0.623 13.729 740 HE2 TYR 93 2HE TYR 93 -15.864 1.503 14.467 741 HH TYR 93 HH TYR 93 -18.578 0.571 15.943 742 H ASP 94 H ASP 94 -16.225 -1.636 10.432 743 HA ASP 94 HA ASP 94 -14.483 -1.135 12.774 744 1HB ASP 94 2HB ASP 94 -16.325 -2.421 13.362 745 2HB ASP 94 1HB ASP 94 -16.387 -3.229 11.795 746 H GLN 95 H GLN 95 -14.620 -3.599 10.167 747 HA GLN 95 HA GLN 95 -12.103 -4.785 10.589 748 1HB GLN 95 2HB GLN 95 -14.156 -4.602 8.547 749 2HB GLN 95 1HB GLN 95 -12.556 -4.717 7.817 750 1HG GLN 95 2HG GLN 95 -12.734 -6.946 8.173 751 2HG GLN 95 1HG GLN 95 -12.425 -6.567 9.868 752 1HE2 GLN 95 1HE2 GLN 95 -14.993 -5.185 10.303 753 2HE2 GLN 95 2HE2 GLN 95 -16.197 -6.382 10.294 754 H LEU 96 H LEU 96 -12.830 -2.241 8.164 755 HA LEU 96 HA LEU 96 -10.006 -1.705 7.685 756 1HB LEU 96 2HB LEU 96 -12.587 -0.292 6.947 757 2HB LEU 96 1HB LEU 96 -11.005 0.155 6.310 758 HG LEU 96 HG LEU 96 -10.790 -2.302 5.584 759 1HD1 LEU 96 1HD1 LEU 96 -13.339 -2.358 6.901 760 2HD1 LEU 96 2HD1 LEU 96 -12.463 -3.695 6.155 761 3HD1 LEU 96 3HD1 LEU 96 -13.579 -2.725 5.193 762 1HD2 LEU 96 1HD2 LEU 96 -12.776 -0.362 4.384 763 2HD2 LEU 96 2HD2 LEU 96 -12.337 -1.869 3.580 764 3HD2 LEU 96 3HD2 LEU 96 -11.106 -0.647 3.895 765 H LYS 97 H LYS 97 -10.895 -1.383 10.501 766 HA LYS 97 HA LYS 97 -11.295 1.311 11.276 767 1HB LYS 97 2HB LYS 97 -10.325 -1.226 12.422 768 2HB LYS 97 1HB LYS 97 -9.705 0.207 13.242 769 1HG LYS 97 2HG LYS 97 -11.808 0.900 13.923 770 2HG LYS 97 1HG LYS 97 -12.620 0.110 12.570 771 1HD LYS 97 2HD LYS 97 -11.834 -2.106 13.670 772 2HD LYS 97 1HD LYS 97 -11.577 -1.125 15.113 773 1HE LYS 97 2HE LYS 97 -14.151 -0.472 13.986 774 2HE LYS 97 1HE LYS 97 -14.033 -2.227 14.224 775 1HZ LYS 97 1HZ LYS 97 -13.101 -1.765 16.453 776 2HZ LYS 97 2HZ LYS 97 -13.427 -0.114 16.223 777 HA PRO 98 HA PRO 98 -6.470 1.594 11.267 778 1HB PRO 98 2HB PRO 98 -5.230 -0.141 9.521 779 2HB PRO 98 1HB PRO 98 -5.457 -0.474 11.249 780 1HG PRO 98 2HG PRO 98 -6.969 -1.491 8.910 781 2HG PRO 98 1HG PRO 98 -6.577 -2.290 10.439 782 1HD PRO 98 2HD PRO 98 -9.038 -1.246 9.837 783 2HD PRO 98 1HD PRO 98 -8.422 -1.463 11.490 784 H LEU 99 H LEU 99 -7.455 0.247 8.081 785 HA LEU 99 HA LEU 99 -6.169 2.135 6.432 786 1HB LEU 99 2HB LEU 99 -7.138 0.723 4.963 787 2HB LEU 99 1HB LEU 99 -8.120 0.049 6.265 788 HG LEU 99 HG LEU 99 -9.630 2.122 5.940 789 1HD1 LEU 99 1HD1 LEU 99 -9.499 2.817 3.429 790 2HD1 LEU 99 2HD1 LEU 99 -7.839 2.228 3.519 791 3HD1 LEU 99 3HD1 LEU 99 -8.364 3.549 4.564 792 1HD2 LEU 99 1HD2 LEU 99 -9.771 -0.412 4.994 793 2HD2 LEU 99 2HD2 LEU 99 -9.754 0.473 3.468 794 3HD2 LEU 99 3HD2 LEU 99 -11.007 0.802 4.666 795 H PHE 100 H PHE 100 -9.225 2.389 8.190 796 HA PHE 100 HA PHE 100 -9.869 4.991 6.930 797 1HB PHE 100 2HB PHE 100 -11.177 3.202 8.997 798 2HB PHE 100 1HB PHE 100 -11.865 4.743 8.485 799 HD1 PHE 100 1HD PHE 100 -10.176 3.714 5.693 800 HD2 PHE 100 2HD PHE 100 -13.634 2.633 8.000 801 HE1 PHE 100 1HE PHE 100 -11.161 2.615 3.700 802 HE2 PHE 100 2HE PHE 100 -14.619 1.532 6.008 803 HZ PHE 100 HZ PHE 100 -13.382 1.523 3.858 804 H ASP 101 H ASP 101 -8.403 3.717 9.829 805 HA ASP 101 HA ASP 101 -8.668 6.266 11.306 806 1HB ASP 101 2HB ASP 101 -7.729 3.467 11.797 807 2HB ASP 101 1HB ASP 101 -7.124 4.740 12.859 808 H PHE 102 H PHE 102 -6.505 4.879 9.048 809 HA PHE 102 HA PHE 102 -4.183 6.440 10.086 810 1HB PHE 102 2HB PHE 102 -3.263 4.448 9.492 811 2HB PHE 102 1HB PHE 102 -4.657 4.008 8.506 812 HD1 PHE 102 1HD PHE 102 -3.770 3.353 6.423 813 HD2 PHE 102 2HD PHE 102 -2.411 6.988 8.268 814 HE1 PHE 102 1HE PHE 102 -2.499 3.920 4.370 815 HE2 PHE 102 2HE PHE 102 -1.141 7.555 6.214 816 HZ PHE 102 HZ PHE 102 -1.185 6.022 4.265 817 H THR 103 H THR 103 -4.163 8.517 9.323 818 HA THR 103 HA THR 103 -4.542 8.943 6.401 819 HB THR 103 HB THR 103 -6.570 9.413 8.055 820 HG1 THR 103 1HG THR 103 -6.625 9.922 5.877 821 1HG2 THR 103 1HG2 THR 103 -4.586 11.195 9.001 822 2HG2 THR 103 2HG2 THR 103 -6.275 11.110 9.497 823 3HG2 THR 103 3HG2 THR 103 -5.796 12.183 8.183 824 H GLN 104 H GLN 104 -3.594 10.332 9.480 825 HA GLN 104 HA GLN 104 -1.582 12.059 8.088 826 1HB GLN 104 2HB GLN 104 -3.227 12.216 10.584 827 2HB GLN 104 1HB GLN 104 -1.671 13.045 10.568 828 1HG GLN 104 2HG GLN 104 -2.295 14.358 8.654 829 2HG GLN 104 1HG GLN 104 -3.750 13.394 8.396 830 1HE2 GLN 104 1HE2 GLN 104 -5.599 13.813 9.758 831 2HE2 GLN 104 2HE2 GLN 104 -5.657 15.130 10.826 832 H THR 105 H THR 105 0.543 12.263 9.214 833 HA THR 105 HA THR 105 1.488 9.631 10.165 834 HB THR 105 HB THR 105 3.232 12.048 10.030 835 HG1 THR 105 1HG THR 105 2.092 10.820 7.743 836 1HG2 THR 105 1HG2 THR 105 3.471 9.294 8.793 837 2HG2 THR 105 2HG2 THR 105 4.047 9.701 10.409 838 3HG2 THR 105 3HG2 THR 105 4.759 10.481 8.996 839 H ASP 106 H ASP 106 1.829 9.181 12.311 840 HA ASP 106 HA ASP 106 0.911 10.552 14.500 841 1HB ASP 106 2HB ASP 106 2.891 8.519 13.908 842 2HB ASP 106 1HB ASP 106 3.391 9.478 15.302 843 H GLY 107 H GLY 107 2.433 12.354 12.497 844 1HA GLY 107 2HA GLY 107 3.284 14.552 12.971 845 2HA GLY 107 1HA GLY 107 3.743 13.998 14.582 846 H SER 108 H SER 108 4.827 11.509 12.983 847 HA SER 108 HA SER 108 7.563 12.606 12.738 848 1HB SER 108 2HB SER 108 8.052 10.522 13.465 849 2HB SER 108 1HB SER 108 6.322 10.193 13.534 850 HG SER 108 HG SER 108 7.691 10.066 11.081 851 H ALA 109 H ALA 109 8.804 12.387 10.778 852 HA ALA 109 HA ALA 109 7.928 13.186 8.366 853 1HB ALA 109 1HB ALA 109 9.982 11.322 9.320 854 2HB ALA 109 2HB ALA 109 10.118 12.624 8.138 855 3HB ALA 109 3HB ALA 109 9.534 11.036 7.640 856 H SER 110 H SER 110 6.418 12.545 6.862 857 HA SER 110 HA SER 110 4.999 9.978 7.286 858 1HB SER 110 2HB SER 110 3.459 11.653 6.897 859 2HB SER 110 1HB SER 110 4.574 12.584 5.901 860 HG SER 110 HG SER 110 3.399 11.761 4.346 861 HA PRO 111 HA PRO 111 7.868 8.696 3.945 862 1HB PRO 111 2HB PRO 111 8.090 6.110 4.831 863 2HB PRO 111 1HB PRO 111 9.113 7.433 5.425 864 1HG PRO 111 2HG PRO 111 6.761 6.144 6.693 865 2HG PRO 111 1HG PRO 111 8.230 6.796 7.432 866 1HD PRO 111 2HD PRO 111 5.799 8.078 7.416 867 2HD PRO 111 1HD PRO 111 7.366 8.897 7.586 868 HA PRO 112 HA PRO 112 4.955 6.765 1.300 869 1HB PRO 112 2HB PRO 112 6.831 4.540 0.737 870 2HB PRO 112 1HB PRO 112 6.139 5.735 -0.375 871 1HG PRO 112 2HG PRO 112 8.714 5.798 0.404 872 2HG PRO 112 1HG PRO 112 7.792 7.255 0.012 873 1HD PRO 112 2HD PRO 112 8.633 6.212 2.656 874 2HD PRO 112 1HD PRO 112 8.366 7.887 2.126 875 HA PRO 113 HA PRO 113 2.803 3.717 3.600 876 1HB PRO 113 2HB PRO 113 2.117 2.399 1.029 877 2HB PRO 113 1HB PRO 113 1.044 3.064 2.274 878 1HG PRO 113 2HG PRO 113 1.452 4.281 -0.090 879 2HG PRO 113 1HG PRO 113 1.111 5.169 1.402 880 1HD PRO 113 2HD PRO 113 3.656 4.892 -0.084 881 2HD PRO 113 1HD PRO 113 3.087 6.211 0.962 882 H ALA 114 H ALA 114 3.199 1.465 1.000 883 HA ALA 114 HA ALA 114 4.326 -0.623 2.462 884 1HB ALA 114 1HB ALA 114 4.232 0.244 -0.385 885 2HB ALA 114 2HB ALA 114 3.656 -1.252 0.351 886 3HB ALA 114 3HB ALA 114 5.373 -1.043 0.004 887 HA PRO 115 HA PRO 115 8.406 0.561 3.575 888 1HB PRO 115 2HB PRO 115 9.192 -2.221 2.891 889 2HB PRO 115 1HB PRO 115 9.338 -1.358 4.433 890 1HG PRO 115 2HG PRO 115 7.510 -3.282 4.026 891 2HG PRO 115 1HG PRO 115 7.225 -1.901 5.095 892 1HD PRO 115 2HD PRO 115 6.126 -2.453 2.399 893 2HD PRO 115 1HD PRO 115 5.418 -1.542 3.752 894 H LYS 116 H LYS 116 10.013 1.504 2.344 895 HA LYS 116 HA LYS 116 10.085 1.708 -0.401 896 1HB LYS 116 2HB LYS 116 11.602 2.550 1.690 897 2HB LYS 116 1HB LYS 116 12.724 1.422 0.930 898 1HG LYS 116 2HG LYS 116 12.766 3.873 0.109 899 2HG LYS 116 1HG LYS 116 12.716 2.605 -1.116 900 1HD LYS 116 2HD LYS 116 10.384 2.922 -1.495 901 2HD LYS 116 1HD LYS 116 10.207 3.904 -0.040 902 1HE LYS 116 2HE LYS 116 11.482 5.715 -1.020 903 2HE LYS 116 1HE LYS 116 11.912 4.715 -2.421 904 1HZ LYS 116 1HZ LYS 116 9.465 6.107 -1.874 905 2HZ LYS 116 2HZ LYS 116 10.035 5.460 -3.337 906 H HIS 117 H HIS 117 9.471 -0.462 -1.216 907 HA HIS 117 HA HIS 117 11.820 -2.324 -1.364 908 1HB HIS 117 2HB HIS 117 10.291 -4.136 -1.175 909 2HB HIS 117 1HB HIS 117 9.725 -2.960 0.012 910 HD1 HIS 117 1HD HIS 117 7.746 -1.312 -0.891 911 HD2 HIS 117 2HD HIS 117 8.381 -4.809 -3.070 912 HE1 HIS 117 1HE HIS 117 5.673 -1.662 -2.305 913 H HIS 118 H HIS 118 12.561 -2.518 -3.438 914 HA HIS 118 HA HIS 118 11.465 -1.257 -5.708 915 1HB HIS 118 2HB HIS 118 13.286 -3.626 -5.262 916 2HB HIS 118 1HB HIS 118 12.918 -3.054 -6.889 917 HD1 HIS 118 1HD HIS 118 14.971 -2.303 -3.914 918 HD2 HIS 118 2HD HIS 118 13.777 -0.293 -7.365 919 HE1 HIS 118 1HE HIS 118 16.477 -0.277 -4.120 920 H HIS 119 H HIS 119 9.985 -1.920 -7.288 921 HA HIS 119 HA HIS 119 7.986 -3.866 -6.605 922 1HB HIS 119 2HB HIS 119 8.205 -3.236 -9.441 923 2HB HIS 119 1HB HIS 119 6.949 -2.770 -8.294 924 HD1 HIS 119 1HD HIS 119 10.394 -1.684 -9.464 925 HD2 HIS 119 2HD HIS 119 7.126 -0.134 -7.392 926 HE1 HIS 119 1HE HIS 119 10.858 0.784 -9.138 927 H ALA 120 H ALA 120 8.553 -6.026 -6.492 928 HA ALA 120 HA ALA 120 10.560 -7.529 -7.469 929 1HB ALA 120 1HB ALA 120 9.081 -9.051 -6.694 930 2HB ALA 120 2HB ALA 120 8.234 -8.957 -8.239 931 3HB ALA 120 3HB ALA 120 7.754 -7.909 -6.905 932 H SER 121 H SER 121 11.448 -8.066 -9.446 933 HA SER 121 HA SER 121 10.190 -6.922 -11.883 934 1HB SER 121 2HB SER 121 12.813 -8.351 -11.867 935 2HB SER 121 1HB SER 121 12.358 -6.860 -12.686 936 HG SER 121 HG SER 121 12.680 -5.745 -10.862 937 H LYS 122 H LYS 122 8.585 -8.406 -12.519 938 HA LYS 122 HA LYS 122 9.348 -11.285 -12.735 939 1HB LYS 122 2HB LYS 122 7.040 -9.815 -11.960 940 2HB LYS 122 1HB LYS 122 6.626 -10.673 -13.444 941 1HG LYS 122 2HG LYS 122 6.262 -12.453 -12.083 942 2HG LYS 122 1HG LYS 122 8.020 -12.591 -12.052 943 1HD LYS 122 2HD LYS 122 7.763 -10.759 -10.130 944 2HD LYS 122 1HD LYS 122 6.168 -11.496 -9.981 945 1HE LYS 122 2HE LYS 122 8.107 -12.518 -8.569 946 2HE LYS 122 1HE LYS 122 7.087 -13.642 -9.490 947 1HZ LYS 122 1HZ LYS 122 9.764 -13.479 -9.740 948 2HZ LYS 122 2HZ LYS 122 9.248 -12.462 -11.000 949 H VAL 123 H VAL 123 10.621 -11.139 -14.685 950 HA VAL 123 HA VAL 123 9.431 -9.949 -17.106 951 HB VAL 123 HB VAL 123 11.931 -11.634 -16.848 952 1HG1 VAL 123 1HG1 VAL 123 12.497 -10.768 -18.880 953 2HG1 VAL 123 2HG1 VAL 123 11.831 -9.180 -18.497 954 3HG1 VAL 123 3HG1 VAL 123 10.763 -10.480 -19.029 955 1HG2 VAL 123 1HG2 VAL 123 11.714 -8.651 -16.346 956 2HG2 VAL 123 2HG2 VAL 123 13.149 -9.663 -16.168 957 3HG2 VAL 123 3HG2 VAL 123 11.794 -9.850 -15.055 958 H ASP 124 H ASP 124 8.732 -11.174 -18.917 959 HA ASP 124 HA ASP 124 7.588 -13.773 -18.380 960 1HB ASP 124 2HB ASP 124 6.716 -12.040 -19.955 961 2HB ASP 124 1HB ASP 124 8.109 -12.329 -20.999 Start of MODEL 8 1 H SER 2 H SER 2 -4.805 -6.927 11.559 2 HA SER 2 HA SER 2 -3.901 -6.662 8.709 3 1HB SER 2 2HB SER 2 -6.294 -7.010 8.117 4 2HB SER 2 1HB SER 2 -5.621 -8.398 8.966 5 HG SER 2 HG SER 2 -7.620 -6.692 9.691 6 H ASN 3 H ASN 3 -3.866 -4.814 11.150 7 HA ASN 3 HA ASN 3 -5.828 -2.725 10.407 8 1HB ASN 3 2HB ASN 3 -3.750 -2.126 12.400 9 2HB ASN 3 1HB ASN 3 -5.506 -2.089 12.567 10 1HD2 ASN 3 1HD2 ASN 3 -4.253 -3.171 14.725 11 2HD2 ASN 3 2HD2 ASN 3 -4.370 -4.864 14.734 12 H GLN 4 H GLN 4 -3.150 -3.634 8.915 13 HA GLN 4 HA GLN 4 -2.030 -0.868 8.609 14 1HB GLN 4 2HB GLN 4 -0.902 -3.660 8.354 15 2HB GLN 4 1HB GLN 4 -0.059 -2.264 7.684 16 1HG GLN 4 2HG GLN 4 -0.690 -1.377 10.207 17 2HG GLN 4 1HG GLN 4 -0.376 -3.090 10.492 18 1HE2 GLN 4 1HE2 GLN 4 1.793 -3.575 10.835 19 2HE2 GLN 4 2HE2 GLN 4 3.101 -2.658 10.263 20 H ILE 5 H ILE 5 -2.050 0.034 6.552 21 HA ILE 5 HA ILE 5 -3.352 -1.574 4.392 22 HB ILE 5 HB ILE 5 -4.445 0.507 5.159 23 1HG1 ILE 5 2HG1 ILE 5 -3.264 0.340 2.400 24 2HG1 ILE 5 1HG1 ILE 5 -4.942 0.145 2.906 25 1HG2 ILE 5 1HG2 ILE 5 -2.991 2.613 4.285 26 2HG2 ILE 5 2HG2 ILE 5 -1.683 1.531 4.765 27 3HG2 ILE 5 3HG2 ILE 5 -2.904 2.014 5.942 28 1HD1 ILE 5 1HD1 ILE 5 -3.747 2.479 1.878 29 2HD1 ILE 5 2HD1 ILE 5 -3.991 2.788 3.597 30 3HD1 ILE 5 3HD1 ILE 5 -5.358 2.333 2.581 31 H TYR 6 H TYR 6 -1.369 -2.625 3.674 32 HA TYR 6 HA TYR 6 1.073 -1.281 3.064 33 1HB TYR 6 2HB TYR 6 -0.298 -3.760 1.982 34 2HB TYR 6 1HB TYR 6 1.358 -3.321 1.563 35 HD1 TYR 6 1HD TYR 6 -0.277 -2.738 4.845 36 HD2 TYR 6 2HD TYR 6 2.542 -5.108 2.634 37 HE1 TYR 6 1HE TYR 6 0.528 -3.752 6.959 38 HE2 TYR 6 2HE TYR 6 3.347 -6.123 4.750 39 HH TYR 6 HH TYR 6 2.981 -6.327 6.945 40 H SER 7 H SER 7 1.857 -0.484 1.022 41 HA SER 7 HA SER 7 -0.319 0.347 -0.863 42 1HB SER 7 2HB SER 7 0.625 2.336 -0.258 43 2HB SER 7 1HB SER 7 2.100 1.562 0.314 44 HG SER 7 HG SER 7 1.355 2.163 -2.358 45 H ALA 8 H ALA 8 -0.015 0.003 -3.099 46 HA ALA 8 HA ALA 8 2.492 -1.282 -4.037 47 1HB ALA 8 1HB ALA 8 0.154 -2.738 -4.974 48 2HB ALA 8 2HB ALA 8 0.223 -2.729 -3.212 49 3HB ALA 8 3HB ALA 8 1.584 -3.354 -4.144 50 H ARG 9 H ARG 9 2.568 -1.332 -6.434 51 HA ARG 9 HA ARG 9 0.473 0.302 -7.793 52 1HB ARG 9 2HB ARG 9 2.085 1.934 -7.180 53 2HB ARG 9 1HB ARG 9 3.432 0.851 -7.535 54 1HG ARG 9 2HG ARG 9 1.867 1.099 -9.909 55 2HG ARG 9 1HG ARG 9 2.166 2.724 -9.287 56 1HD ARG 9 2HD ARG 9 4.289 0.605 -9.801 57 2HD ARG 9 1HD ARG 9 4.015 2.068 -10.769 58 HE ARG 9 HE ARG 9 4.578 2.332 -7.851 59 1HH1 ARG 9 1HH1 ARG 9 5.317 2.870 -11.176 60 1HH2 ARG 9 1HH2 ARG 9 6.172 3.872 -7.407 61 2HH2 ARG 9 2HH2 ARG 9 7.025 4.619 -8.717 62 H TYR 10 H TYR 10 -0.145 -0.884 -9.548 63 HA TYR 10 HA TYR 10 1.954 -2.204 -11.202 64 1HB TYR 10 2HB TYR 10 -0.573 -3.563 -10.219 65 2HB TYR 10 1HB TYR 10 0.740 -4.306 -11.133 66 HD1 TYR 10 1HD TYR 10 0.158 -2.379 -7.965 67 HD2 TYR 10 2HD TYR 10 2.427 -5.425 -9.973 68 HE1 TYR 10 1HE TYR 10 1.350 -2.888 -5.849 69 HE2 TYR 10 2HE TYR 10 3.617 -5.933 -7.858 70 HH TYR 10 HH TYR 10 4.129 -4.422 -5.628 71 H SER 11 H SER 11 0.864 -3.057 -13.292 72 HA SER 11 HA SER 11 -0.372 -2.574 -15.243 73 1HB SER 11 2HB SER 11 -2.483 -3.058 -14.614 74 2HB SER 11 1HB SER 11 -2.079 -2.662 -12.947 75 HG SER 11 HG SER 11 -2.593 -0.518 -13.377 76 H GLY 12 H GLY 12 1.422 -0.468 -14.218 77 1HA GLY 12 2HA GLY 12 1.920 1.737 -14.864 78 2HA GLY 12 1HA GLY 12 0.445 1.725 -15.830 79 H VAL 13 H VAL 13 -0.732 0.812 -12.987 80 HA VAL 13 HA VAL 13 -1.041 3.624 -11.975 81 HB VAL 13 HB VAL 13 -3.023 1.374 -12.393 82 1HG1 VAL 13 1HG1 VAL 13 -3.841 3.974 -11.162 83 2HG1 VAL 13 2HG1 VAL 13 -3.087 2.767 -10.120 84 3HG1 VAL 13 3HG1 VAL 13 -4.568 2.376 -10.993 85 1HG2 VAL 13 1HG2 VAL 13 -2.475 2.975 -14.266 86 2HG2 VAL 13 2HG2 VAL 13 -3.073 4.284 -13.247 87 3HG2 VAL 13 3HG2 VAL 13 -4.168 3.004 -13.772 88 H ASP 14 H ASP 14 -0.614 3.848 -9.789 89 HA ASP 14 HA ASP 14 0.281 1.517 -8.274 90 1HB ASP 14 2HB ASP 14 1.520 3.412 -7.797 91 2HB ASP 14 1HB ASP 14 0.134 4.487 -7.983 92 H VAL 15 H VAL 15 -0.631 0.969 -6.141 93 HA VAL 15 HA VAL 15 -3.427 1.831 -5.622 94 HB VAL 15 HB VAL 15 -3.911 0.009 -7.005 95 1HG1 VAL 15 1HG1 VAL 15 -1.359 -1.173 -5.894 96 2HG1 VAL 15 2HG1 VAL 15 -1.722 -0.737 -7.564 97 3HG1 VAL 15 3HG1 VAL 15 -2.505 -2.136 -6.828 98 1HG2 VAL 15 1HG2 VAL 15 -3.572 -0.960 -4.165 99 2HG2 VAL 15 2HG2 VAL 15 -4.226 -2.017 -5.417 100 3HG2 VAL 15 3HG2 VAL 15 -5.060 -0.518 -5.004 101 H TYR 16 H TYR 16 -4.171 0.485 -3.533 102 HA TYR 16 HA TYR 16 -1.844 0.464 -1.638 103 1HB TYR 16 2HB TYR 16 -4.639 0.811 -0.677 104 2HB TYR 16 1HB TYR 16 -3.169 1.643 -0.171 105 HD1 TYR 16 1HD TYR 16 -2.039 2.967 -2.331 106 HD2 TYR 16 2HD TYR 16 -6.213 2.201 -1.671 107 HE1 TYR 16 1HE TYR 16 -2.621 4.888 -3.786 108 HE2 TYR 16 2HE TYR 16 -6.796 4.122 -3.126 109 HH TYR 16 HH TYR 16 -4.887 6.506 -3.874 110 H GLU 17 H GLU 17 -1.743 -1.303 -0.169 111 HA GLU 17 HA GLU 17 -3.694 -3.521 -0.704 112 1HB GLU 17 2HB GLU 17 -1.735 -4.999 -0.219 113 2HB GLU 17 1HB GLU 17 -1.451 -3.933 -1.597 114 1HG GLU 17 2HG GLU 17 0.168 -2.754 -0.513 115 2HG GLU 17 1HG GLU 17 -0.692 -2.801 1.025 116 H PHE 18 H PHE 18 -4.922 -3.977 1.075 117 HA PHE 18 HA PHE 18 -3.676 -3.700 3.781 118 1HB PHE 18 2HB PHE 18 -4.988 -1.701 3.364 119 2HB PHE 18 1HB PHE 18 -6.343 -2.662 2.774 120 HD1 PHE 18 1HD PHE 18 -5.278 -0.837 5.500 121 HD2 PHE 18 2HD PHE 18 -6.947 -4.681 4.560 122 HE1 PHE 18 1HE PHE 18 -6.158 -1.020 7.811 123 HE2 PHE 18 2HE PHE 18 -7.827 -4.865 6.872 124 HZ PHE 18 HZ PHE 18 -7.432 -3.034 8.498 125 H ILE 19 H ILE 19 -4.226 -5.402 5.154 126 HA ILE 19 HA ILE 19 -5.679 -7.677 3.996 127 HB ILE 19 HB ILE 19 -4.274 -7.096 6.617 128 1HG1 ILE 19 2HG1 ILE 19 -2.448 -8.119 5.676 129 2HG1 ILE 19 1HG1 ILE 19 -3.433 -9.234 4.728 130 1HG2 ILE 19 1HG2 ILE 19 -5.158 -8.959 7.523 131 2HG2 ILE 19 2HG2 ILE 19 -4.725 -9.903 6.097 132 3HG2 ILE 19 3HG2 ILE 19 -6.265 -9.046 6.153 133 1HD1 ILE 19 1HD1 ILE 19 -2.471 -6.510 4.045 134 2HD1 ILE 19 2HD1 ILE 19 -4.118 -6.898 3.544 135 3HD1 ILE 19 3HD1 ILE 19 -2.771 -7.896 2.994 136 H HIS 20 H HIS 20 -7.823 -8.102 4.347 137 HA HIS 20 HA HIS 20 -9.152 -7.074 6.794 138 1HB HIS 20 2HB HIS 20 -9.559 -6.156 3.976 139 2HB HIS 20 1HB HIS 20 -10.979 -6.271 5.015 140 HD1 HIS 20 1HD HIS 20 -8.938 -3.731 3.971 141 HD2 HIS 20 2HD HIS 20 -9.846 -5.083 7.808 142 HE1 HIS 20 1HE HIS 20 -8.440 -1.810 5.543 143 H SER 21 H SER 21 -11.732 -7.568 5.150 144 HA SER 21 HA SER 21 -12.232 -10.253 6.002 145 1HB SER 21 2HB SER 21 -14.180 -9.073 5.687 146 2HB SER 21 1HB SER 21 -13.510 -8.136 4.354 147 HG SER 21 HG SER 21 -14.133 -9.634 2.981 148 H THR 22 H THR 22 -11.297 -8.892 2.845 149 HA THR 22 HA THR 22 -11.148 -11.622 1.669 150 HB THR 22 HB THR 22 -10.295 -9.419 -0.016 151 HG1 THR 22 1HG THR 22 -12.469 -9.043 1.684 152 1HG2 THR 22 1HG2 THR 22 -11.787 -11.776 -0.184 153 2HG2 THR 22 2HG2 THR 22 -11.494 -10.629 -1.491 154 3HG2 THR 22 3HG2 THR 22 -12.953 -10.494 -0.511 155 H GLY 23 H GLY 23 -9.240 -10.034 3.672 156 1HA GLY 23 2HA GLY 23 -6.942 -10.587 4.114 157 2HA GLY 23 1HA GLY 23 -6.760 -11.070 2.424 158 H SER 24 H SER 24 -5.510 -9.677 1.292 159 HA SER 24 HA SER 24 -5.050 -6.938 2.264 160 1HB SER 24 2HB SER 24 -3.177 -7.077 0.915 161 2HB SER 24 1HB SER 24 -3.498 -8.798 1.106 162 HG SER 24 HG SER 24 -3.218 -8.027 -1.107 163 H ILE 25 H ILE 25 -5.784 -5.063 1.236 164 HA ILE 25 HA ILE 25 -7.761 -5.462 -0.983 165 HB ILE 25 HB ILE 25 -7.565 -3.727 1.445 166 1HG1 ILE 25 2HG1 ILE 25 -9.191 -5.821 0.537 167 2HG1 ILE 25 1HG1 ILE 25 -9.489 -4.802 1.944 168 1HG2 ILE 25 1HG2 ILE 25 -7.653 -2.198 -0.583 169 2HG2 ILE 25 2HG2 ILE 25 -9.008 -2.033 0.535 170 3HG2 ILE 25 3HG2 ILE 25 -9.211 -2.930 -0.970 171 1HD1 ILE 25 1HD1 ILE 25 -11.136 -3.639 0.902 172 2HD1 ILE 25 2HD1 ILE 25 -11.168 -4.996 -0.225 173 3HD1 ILE 25 3HD1 ILE 25 -10.236 -3.549 -0.613 174 H MET 26 H MET 26 -7.068 -4.660 -2.938 175 HA MET 26 HA MET 26 -4.874 -2.629 -2.936 176 1HB MET 26 2HB MET 26 -5.545 -5.007 -4.421 177 2HB MET 26 1HB MET 26 -5.436 -3.639 -5.528 178 1HG MET 26 2HG MET 26 -3.239 -4.787 -5.176 179 2HG MET 26 1HG MET 26 -3.212 -3.088 -4.706 180 1HE MET 26 1HE MET 26 -1.306 -5.195 -4.210 181 2HE MET 26 2HE MET 26 -1.972 -6.566 -3.327 182 3HE MET 26 3HE MET 26 -0.918 -5.422 -2.500 183 H LYS 27 H LYS 27 -5.443 -0.557 -3.410 184 HA LYS 27 HA LYS 27 -8.052 -0.070 -4.804 185 1HB LYS 27 2HB LYS 27 -6.357 1.465 -2.825 186 2HB LYS 27 1HB LYS 27 -7.676 2.237 -3.708 187 1HG LYS 27 2HG LYS 27 -9.291 0.702 -2.784 188 2HG LYS 27 1HG LYS 27 -8.017 -0.289 -2.072 189 1HD LYS 27 2HD LYS 27 -8.628 0.971 -0.225 190 2HD LYS 27 1HD LYS 27 -7.362 1.999 -0.896 191 1HE LYS 27 2HE LYS 27 -10.226 2.356 -1.780 192 2HE LYS 27 1HE LYS 27 -9.633 3.124 -0.293 193 1HZ LYS 27 1HZ LYS 27 -9.322 4.437 -2.416 194 2HZ LYS 27 2HZ LYS 27 -7.934 4.222 -1.461 195 H ARG 28 H ARG 28 -8.088 1.702 -6.384 196 HA ARG 28 HA ARG 28 -5.630 1.794 -8.015 197 1HB ARG 28 2HB ARG 28 -8.412 1.817 -8.418 198 2HB ARG 28 1HB ARG 28 -7.872 3.429 -8.890 199 1HG ARG 28 2HG ARG 28 -6.905 2.639 -10.766 200 2HG ARG 28 1HG ARG 28 -6.045 1.389 -9.865 201 1HD ARG 28 2HD ARG 28 -7.421 -0.092 -10.913 202 2HD ARG 28 1HD ARG 28 -8.700 0.514 -9.844 203 HE ARG 28 HE ARG 28 -8.277 1.320 -12.654 204 1HH1 ARG 28 1HH1 ARG 28 -9.748 1.863 -9.584 205 1HH2 ARG 28 1HH2 ARG 28 -9.932 2.603 -13.503 206 2HH2 ARG 28 2HH2 ARG 28 -11.127 3.268 -12.439 207 H LYS 29 H LYS 29 -4.287 3.570 -8.135 208 HA LYS 29 HA LYS 29 -4.473 5.699 -6.202 209 1HB LYS 29 2HB LYS 29 -2.865 5.448 -8.759 210 2HB LYS 29 1HB LYS 29 -2.505 6.533 -7.416 211 1HG LYS 29 2HG LYS 29 -2.858 3.696 -6.666 212 2HG LYS 29 1HG LYS 29 -1.445 4.031 -7.669 213 1HD LYS 29 2HD LYS 29 -2.120 5.615 -5.178 214 2HD LYS 29 1HD LYS 29 -1.045 4.217 -5.171 215 1HE LYS 29 2HE LYS 29 0.450 5.322 -6.781 216 2HE LYS 29 1HE LYS 29 -0.641 6.721 -6.848 217 1HZ LYS 29 1HZ LYS 29 1.026 7.183 -5.222 218 2HZ LYS 29 2HZ LYS 29 -0.420 6.864 -4.391 219 H LYS 30 H LYS 30 -5.224 5.497 -9.677 220 HA LYS 30 HA LYS 30 -5.673 8.156 -10.351 221 1HB LYS 30 2HB LYS 30 -7.085 5.571 -11.013 222 2HB LYS 30 1HB LYS 30 -7.569 7.088 -11.773 223 1HG LYS 30 2HG LYS 30 -5.011 7.354 -12.271 224 2HG LYS 30 1HG LYS 30 -4.961 5.610 -12.005 225 1HD LYS 30 2HD LYS 30 -5.319 6.230 -14.407 226 2HD LYS 30 1HD LYS 30 -6.623 5.245 -13.740 227 1HE LYS 30 2HE LYS 30 -8.066 7.150 -13.501 228 2HE LYS 30 1HE LYS 30 -6.734 8.277 -13.823 229 1HZ LYS 30 1HZ LYS 30 -8.388 7.036 -15.692 230 2HZ LYS 30 2HZ LYS 30 -7.041 8.025 -15.994 231 H ASP 31 H ASP 31 -8.301 6.001 -9.191 232 HA ASP 31 HA ASP 31 -9.641 8.436 -8.058 233 1HB ASP 31 2HB ASP 31 -10.480 6.630 -9.967 234 2HB ASP 31 1HB ASP 31 -11.222 5.990 -8.501 235 H ASP 32 H ASP 32 -7.719 6.114 -6.967 236 HA ASP 32 HA ASP 32 -7.497 4.953 -4.916 237 1HB ASP 32 2HB ASP 32 -9.560 6.801 -3.783 238 2HB ASP 32 1HB ASP 32 -7.977 6.366 -3.139 239 H TRP 33 H TRP 33 -9.182 3.545 -6.537 240 HA TRP 33 HA TRP 33 -11.821 3.136 -5.354 241 1HB TRP 33 2HB TRP 33 -10.330 1.256 -7.187 242 2HB TRP 33 1HB TRP 33 -12.062 1.586 -7.129 243 HD1 TRP 33 HD TRP 33 -8.794 3.526 -7.876 244 HE1 TRP 33 1HE TRP 33 -9.287 5.229 -9.748 245 HE3 TRP 33 3HE TRP 33 -13.790 2.695 -8.531 246 HZ2 TRP 33 2HZ TRP 33 -11.508 6.121 -11.316 247 HZ3 TRP 33 3HZ TRP 33 -15.068 3.984 -10.218 248 HH2 TRP 33 HH TRP 33 -13.935 5.694 -11.609 249 H VAL 34 H VAL 34 -12.473 1.068 -4.341 250 HA VAL 34 HA VAL 34 -10.206 -0.412 -3.054 251 HB VAL 34 HB VAL 34 -11.712 1.453 -1.799 252 1HG1 VAL 34 1HG1 VAL 34 -13.259 -1.129 -1.779 253 2HG1 VAL 34 2HG1 VAL 34 -13.855 0.520 -1.979 254 3HG1 VAL 34 3HG1 VAL 34 -13.334 -0.042 -0.392 255 1HG2 VAL 34 1HG2 VAL 34 -10.920 0.517 0.234 256 2HG2 VAL 34 2HG2 VAL 34 -9.763 -0.031 -0.980 257 3HG2 VAL 34 3HG2 VAL 34 -11.014 -1.129 -0.393 258 H ASN 35 H ASN 35 -10.629 -2.645 -2.711 259 HA ASN 35 HA ASN 35 -12.409 -3.964 -4.511 260 1HB ASN 35 2HB ASN 35 -10.654 -5.291 -3.815 261 2HB ASN 35 1HB ASN 35 -10.680 -4.640 -2.175 262 1HD2 ASN 35 1HD2 ASN 35 -10.665 -7.510 -2.898 263 2HD2 ASN 35 2HD2 ASN 35 -12.098 -8.169 -2.271 264 H ALA 36 H ALA 36 -14.589 -3.341 -4.263 265 HA ALA 36 HA ALA 36 -16.088 -2.782 -2.011 266 1HB ALA 36 1HB ALA 36 -17.065 -2.659 -4.179 267 2HB ALA 36 2HB ALA 36 -17.960 -3.939 -3.361 268 3HB ALA 36 3HB ALA 36 -16.699 -4.349 -4.524 269 H THR 37 H THR 37 -14.753 -5.906 -2.896 270 HA THR 37 HA THR 37 -16.454 -7.608 -1.351 271 HB THR 37 HB THR 37 -13.479 -7.848 -1.909 272 HG1 THR 37 1HG THR 37 -15.656 -7.846 -3.530 273 1HG2 THR 37 1HG2 THR 37 -14.214 -9.525 -0.344 274 2HG2 THR 37 2HG2 THR 37 -14.074 -10.304 -1.921 275 3HG2 THR 37 3HG2 THR 37 -15.661 -9.854 -1.296 276 H HIS 38 H HIS 38 -13.404 -5.956 -0.508 277 HA HIS 38 HA HIS 38 -13.277 -6.858 2.215 278 1HB HIS 38 2HB HIS 38 -12.184 -4.558 0.602 279 2HB HIS 38 1HB HIS 38 -11.904 -4.618 2.343 280 HD1 HIS 38 1HD HIS 38 -10.860 -6.167 -0.863 281 HD2 HIS 38 2HD HIS 38 -10.376 -6.937 3.206 282 HE1 HIS 38 1HE HIS 38 -9.006 -7.882 -0.673 283 H ILE 39 H ILE 39 -15.064 -4.337 0.586 284 HA ILE 39 HA ILE 39 -15.966 -3.072 3.106 285 HB ILE 39 HB ILE 39 -16.077 -2.592 0.160 286 1HG1 ILE 39 2HG1 ILE 39 -15.889 -0.183 1.482 287 2HG1 ILE 39 1HG1 ILE 39 -15.121 -1.290 2.622 288 1HG2 ILE 39 1HG2 ILE 39 -18.353 -2.186 1.914 289 2HG2 ILE 39 2HG2 ILE 39 -18.235 -1.951 0.170 290 3HG2 ILE 39 3HG2 ILE 39 -17.771 -0.652 1.269 291 1HD1 ILE 39 1HD1 ILE 39 -14.426 -1.108 -0.323 292 2HD1 ILE 39 2HD1 ILE 39 -13.610 -2.097 0.888 293 3HD1 ILE 39 3HD1 ILE 39 -13.507 -0.338 0.970 294 H LEU 40 H LEU 40 -17.390 -4.773 0.306 295 HA LEU 40 HA LEU 40 -19.955 -5.131 1.745 296 1HB LEU 40 2HB LEU 40 -18.893 -5.228 -1.002 297 2HB LEU 40 1HB LEU 40 -20.090 -6.479 -0.662 298 HG LEU 40 HG LEU 40 -20.771 -3.983 -1.434 299 1HD1 LEU 40 1HD1 LEU 40 -22.238 -5.690 0.602 300 2HD1 LEU 40 2HD1 LEU 40 -22.309 -5.879 -1.151 301 3HD1 LEU 40 3HD1 LEU 40 -22.977 -4.433 -0.391 302 1HD2 LEU 40 1HD2 LEU 40 -19.764 -2.889 0.502 303 2HD2 LEU 40 2HD2 LEU 40 -20.656 -3.945 1.599 304 3HD2 LEU 40 3HD2 LEU 40 -21.519 -2.760 0.618 305 H LYS 41 H LYS 41 -17.488 -7.208 0.174 306 HA LYS 41 HA LYS 41 -18.563 -9.698 1.142 307 1HB LYS 41 2HB LYS 41 -17.107 -9.732 -0.733 308 2HB LYS 41 1HB LYS 41 -15.907 -8.725 0.079 309 1HG LYS 41 2HG LYS 41 -14.861 -10.569 0.823 310 2HG LYS 41 1HG LYS 41 -16.324 -11.048 1.684 311 1HD LYS 41 2HD LYS 41 -16.487 -12.789 0.263 312 2HD LYS 41 1HD LYS 41 -16.858 -11.623 -1.009 313 1HE LYS 41 2HE LYS 41 -14.981 -12.536 -1.986 314 2HE LYS 41 1HE LYS 41 -14.137 -11.400 -0.914 315 1HZ LYS 41 1HZ LYS 41 -15.015 -13.971 0.186 316 2HZ LYS 41 2HZ LYS 41 -13.636 -13.960 -0.805 317 H ALA 42 H ALA 42 -16.511 -7.255 2.540 318 HA ALA 42 HA ALA 42 -15.286 -8.834 4.619 319 1HB ALA 42 1HB ALA 42 -14.807 -6.613 5.572 320 2HB ALA 42 2HB ALA 42 -16.014 -5.886 4.511 321 3HB ALA 42 3HB ALA 42 -14.548 -6.590 3.828 322 H ALA 43 H ALA 43 -18.447 -7.404 4.217 323 HA ALA 43 HA ALA 43 -19.150 -8.242 7.014 324 1HB ALA 43 1HB ALA 43 -19.055 -5.737 6.302 325 2HB ALA 43 2HB ALA 43 -20.478 -6.297 7.180 326 3HB ALA 43 3HB ALA 43 -20.547 -6.090 5.430 327 H ASN 44 H ASN 44 -19.437 -9.345 3.999 328 HA ASN 44 HA ASN 44 -22.100 -10.541 4.529 329 1HB ASN 44 2HB ASN 44 -22.095 -9.699 1.808 330 2HB ASN 44 1HB ASN 44 -23.142 -9.131 3.110 331 1HD2 ASN 44 1HD2 ASN 44 -21.819 -7.563 0.869 332 2HD2 ASN 44 2HD2 ASN 44 -20.934 -6.346 1.655 333 H PHE 45 H PHE 45 -19.073 -11.231 4.007 334 HA PHE 45 HA PHE 45 -17.860 -12.820 2.698 335 1HB PHE 45 2HB PHE 45 -20.509 -14.152 3.356 336 2HB PHE 45 1HB PHE 45 -19.036 -15.012 2.907 337 HD1 PHE 45 1HD PHE 45 -19.834 -12.139 5.194 338 HD2 PHE 45 2HD PHE 45 -17.983 -15.988 4.736 339 HE1 PHE 45 1HE PHE 45 -19.059 -12.046 7.548 340 HE2 PHE 45 2HE PHE 45 -17.209 -15.895 7.090 341 HZ PHE 45 HZ PHE 45 -17.747 -13.924 8.497 342 H ALA 46 H ALA 46 -17.803 -14.001 0.626 343 HA ALA 46 HA ALA 46 -19.482 -12.702 -1.420 344 1HB ALA 46 1HB ALA 46 -17.668 -13.143 -2.716 345 2HB ALA 46 2HB ALA 46 -17.642 -14.840 -2.236 346 3HB ALA 46 3HB ALA 46 -16.871 -13.624 -1.219 347 H LYS 47 H LYS 47 -21.538 -13.636 -1.090 348 HA LYS 47 HA LYS 47 -21.791 -16.460 -2.035 349 1HB LYS 47 2HB LYS 47 -22.113 -15.570 0.605 350 2HB LYS 47 1HB LYS 47 -23.759 -15.679 -0.020 351 1HG LYS 47 2HG LYS 47 -23.693 -17.918 0.172 352 2HG LYS 47 1HG LYS 47 -22.315 -17.974 -0.926 353 1HD LYS 47 2HD LYS 47 -21.453 -17.028 1.658 354 2HD LYS 47 1HD LYS 47 -22.322 -18.552 1.843 355 1HE LYS 47 2HE LYS 47 -20.658 -18.838 -0.448 356 2HE LYS 47 1HE LYS 47 -19.657 -18.151 0.846 357 1HZ LYS 47 1HZ LYS 47 -20.210 -19.863 2.298 358 2HZ LYS 47 2HZ LYS 47 -21.561 -20.344 1.387 359 H ALA 48 H ALA 48 -24.582 -16.588 -2.039 360 HA ALA 48 HA ALA 48 -25.352 -15.161 -4.345 361 1HB ALA 48 1HB ALA 48 -26.735 -16.943 -3.631 362 2HB ALA 48 2HB ALA 48 -27.710 -15.524 -3.248 363 3HB ALA 48 3HB ALA 48 -26.803 -16.341 -1.975 364 H LYS 49 H LYS 49 -25.152 -14.167 -1.007 365 HA LYS 49 HA LYS 49 -26.734 -11.756 -1.190 366 1HB LYS 49 2HB LYS 49 -25.035 -13.194 0.674 367 2HB LYS 49 1HB LYS 49 -24.686 -11.466 0.734 368 1HG LYS 49 2HG LYS 49 -27.438 -12.717 0.984 369 2HG LYS 49 1HG LYS 49 -26.489 -12.050 2.314 370 1HD LYS 49 2HD LYS 49 -26.587 -9.833 1.371 371 2HD LYS 49 1HD LYS 49 -27.313 -10.442 -0.117 372 1HE LYS 49 2HE LYS 49 -28.565 -10.085 2.590 373 2HE LYS 49 1HE LYS 49 -29.240 -9.745 0.984 374 1HZ LYS 49 1HZ LYS 49 -29.161 -12.168 0.550 375 2HZ LYS 49 2HZ LYS 49 -28.717 -12.418 2.170 376 H ARG 50 H ARG 50 -23.190 -12.358 -1.307 377 HA ARG 50 HA ARG 50 -22.405 -9.682 -1.889 378 1HB ARG 50 2HB ARG 50 -21.301 -12.330 -1.709 379 2HB ARG 50 1HB ARG 50 -20.667 -11.551 -3.158 380 1HG ARG 50 2HG ARG 50 -19.226 -11.037 -1.246 381 2HG ARG 50 1HG ARG 50 -20.039 -9.570 -1.793 382 1HD ARG 50 2HD ARG 50 -21.462 -11.167 0.285 383 2HD ARG 50 1HD ARG 50 -20.011 -10.288 0.805 384 HE ARG 50 HE ARG 50 -21.067 -8.245 -0.287 385 1HH1 ARG 50 1HH1 ARG 50 -22.920 -10.981 0.695 386 1HH2 ARG 50 1HH2 ARG 50 -22.980 -7.062 -0.064 387 2HH2 ARG 50 2HH2 ARG 50 -24.428 -7.869 0.440 388 H THR 51 H THR 51 -23.742 -12.213 -3.928 389 HA THR 51 HA THR 51 -22.923 -11.134 -6.473 390 HB THR 51 HB THR 51 -24.729 -13.176 -5.355 391 HG1 THR 51 1HG THR 51 -23.851 -13.647 -7.822 392 1HG2 THR 51 1HG2 THR 51 -26.525 -12.882 -6.670 393 2HG2 THR 51 2HG2 THR 51 -25.496 -12.865 -8.103 394 3HG2 THR 51 3HG2 THR 51 -25.832 -11.364 -7.240 395 H ARG 52 H ARG 52 -25.729 -10.626 -4.360 396 HA ARG 52 HA ARG 52 -26.958 -8.735 -6.282 397 1HB ARG 52 2HB ARG 52 -27.740 -10.400 -4.071 398 2HB ARG 52 1HB ARG 52 -28.202 -8.736 -3.712 399 1HG ARG 52 2HG ARG 52 -29.771 -10.354 -5.161 400 2HG ARG 52 1HG ARG 52 -29.683 -8.619 -5.471 401 1HD ARG 52 2HD ARG 52 -28.552 -8.901 -7.448 402 2HD ARG 52 1HD ARG 52 -27.627 -10.287 -6.835 403 HE ARG 52 HE ARG 52 -29.632 -11.685 -7.177 404 1HH1 ARG 52 1HH1 ARG 52 -29.669 -8.472 -8.426 405 1HH2 ARG 52 1HH2 ARG 52 -31.308 -12.107 -8.635 406 2HH2 ARG 52 2HH2 ARG 52 -31.879 -10.839 -9.666 407 H ILE 53 H ILE 53 -26.207 -8.522 -2.797 408 HA ILE 53 HA ILE 53 -26.183 -5.758 -2.476 409 HB ILE 53 HB ILE 53 -24.004 -7.432 -1.258 410 1HG1 ILE 53 2HG1 ILE 53 -25.894 -8.980 -1.442 411 2HG1 ILE 53 1HG1 ILE 53 -25.716 -8.466 0.236 412 1HG2 ILE 53 1HG2 ILE 53 -25.467 -6.250 0.739 413 2HG2 ILE 53 2HG2 ILE 53 -25.668 -5.094 -0.579 414 3HG2 ILE 53 3HG2 ILE 53 -24.051 -5.524 -0.022 415 1HD1 ILE 53 1HD1 ILE 53 -27.873 -7.815 0.178 416 2HD1 ILE 53 2HD1 ILE 53 -27.963 -8.087 -1.562 417 3HD1 ILE 53 3HD1 ILE 53 -27.388 -6.540 -0.939 418 H LEU 54 H LEU 54 -23.354 -7.766 -3.425 419 HA LEU 54 HA LEU 54 -21.610 -5.515 -3.914 420 1HB LEU 54 2HB LEU 54 -21.461 -8.287 -3.765 421 2HB LEU 54 1HB LEU 54 -21.130 -7.958 -5.467 422 HG LEU 54 HG LEU 54 -19.753 -6.088 -3.697 423 1HD1 LEU 54 1HD1 LEU 54 -18.206 -7.622 -2.685 424 2HD1 LEU 54 2HD1 LEU 54 -18.899 -8.990 -3.557 425 3HD1 LEU 54 3HD1 LEU 54 -19.823 -8.198 -2.281 426 1HD2 LEU 54 1HD2 LEU 54 -19.456 -6.834 -6.229 427 2HD2 LEU 54 2HD2 LEU 54 -18.412 -8.061 -5.511 428 3HD2 LEU 54 3HD2 LEU 54 -18.060 -6.350 -5.266 429 H GLU 55 H GLU 55 -23.231 -7.736 -6.191 430 HA GLU 55 HA GLU 55 -22.682 -6.385 -8.597 431 1HB GLU 55 2HB GLU 55 -23.904 -8.631 -7.995 432 2HB GLU 55 1HB GLU 55 -25.357 -7.636 -8.053 433 1HG GLU 55 2HG GLU 55 -24.768 -6.905 -10.339 434 2HG GLU 55 1HG GLU 55 -23.323 -7.917 -10.284 435 H LYS 56 H LYS 56 -25.554 -5.971 -6.485 436 HA LYS 56 HA LYS 56 -26.591 -3.734 -8.027 437 1HB LYS 56 2HB LYS 56 -28.365 -3.978 -6.586 438 2HB LYS 56 1HB LYS 56 -27.566 -5.503 -6.201 439 1HG LYS 56 2HG LYS 56 -26.284 -4.271 -4.402 440 2HG LYS 56 1HG LYS 56 -27.329 -2.882 -4.703 441 1HD LYS 56 2HD LYS 56 -28.150 -5.629 -3.732 442 2HD LYS 56 1HD LYS 56 -28.312 -4.095 -2.878 443 1HE LYS 56 2HE LYS 56 -30.431 -4.064 -3.731 444 2HE LYS 56 1HE LYS 56 -29.656 -3.621 -5.265 445 1HZ LYS 56 1HZ LYS 56 -29.850 -5.696 -6.073 446 2HZ LYS 56 2HZ LYS 56 -29.538 -6.433 -4.575 447 H GLU 57 H GLU 57 -24.620 -4.087 -5.099 448 HA GLU 57 HA GLU 57 -24.579 -1.252 -4.459 449 1HB GLU 57 2HB GLU 57 -22.803 -3.599 -3.705 450 2HB GLU 57 1HB GLU 57 -22.756 -2.020 -2.922 451 1HG GLU 57 2HG GLU 57 -25.230 -3.763 -3.088 452 2HG GLU 57 1HG GLU 57 -24.159 -3.691 -1.688 453 H VAL 58 H VAL 58 -22.144 -3.479 -5.868 454 HA VAL 58 HA VAL 58 -20.403 -1.251 -6.644 455 HB VAL 58 HB VAL 58 -20.138 -3.943 -6.067 456 1HG1 VAL 58 1HG1 VAL 58 -20.770 -4.881 -8.101 457 2HG1 VAL 58 2HG1 VAL 58 -19.039 -4.661 -8.361 458 3HG1 VAL 58 3HG1 VAL 58 -20.185 -3.502 -9.034 459 1HG2 VAL 58 1HG2 VAL 58 -18.368 -2.313 -5.786 460 2HG2 VAL 58 2HG2 VAL 58 -18.272 -2.050 -7.528 461 3HG2 VAL 58 3HG2 VAL 58 -17.761 -3.591 -6.840 462 H LEU 59 H LEU 59 -22.353 -3.703 -8.399 463 HA LEU 59 HA LEU 59 -21.877 -3.059 -11.041 464 1HB LEU 59 2HB LEU 59 -23.517 -4.727 -10.110 465 2HB LEU 59 1HB LEU 59 -24.626 -3.390 -9.797 466 HG LEU 59 HG LEU 59 -24.837 -4.725 -12.045 467 1HD1 LEU 59 1HD1 LEU 59 -24.876 -2.052 -12.989 468 2HD1 LEU 59 2HD1 LEU 59 -25.285 -1.984 -11.275 469 3HD1 LEU 59 3HD1 LEU 59 -26.235 -2.989 -12.369 470 1HD2 LEU 59 1HD2 LEU 59 -23.292 -4.313 -13.697 471 2HD2 LEU 59 2HD2 LEU 59 -22.225 -4.087 -12.311 472 3HD2 LEU 59 3HD2 LEU 59 -22.944 -2.688 -13.108 473 H LYS 60 H LYS 60 -24.083 -1.290 -8.849 474 HA LYS 60 HA LYS 60 -24.752 0.757 -10.797 475 1HB LYS 60 2HB LYS 60 -26.327 0.872 -9.161 476 2HB LYS 60 1HB LYS 60 -25.286 0.027 -8.014 477 1HG LYS 60 2HG LYS 60 -24.974 1.983 -6.945 478 2HG LYS 60 1HG LYS 60 -24.123 2.573 -8.372 479 1HD LYS 60 2HD LYS 60 -25.782 4.144 -8.373 480 2HD LYS 60 1HD LYS 60 -26.686 2.877 -9.200 481 1HE LYS 60 2HE LYS 60 -27.661 2.133 -7.075 482 2HE LYS 60 1HE LYS 60 -26.701 3.339 -6.194 483 1HZ LYS 60 1HZ LYS 60 -28.118 4.935 -6.769 484 2HZ LYS 60 2HZ LYS 60 -28.020 4.518 -8.412 485 H GLU 61 H GLU 61 -21.982 0.069 -8.990 486 HA GLU 61 HA GLU 61 -21.039 2.915 -9.085 487 1HB GLU 61 2HB GLU 61 -20.034 0.528 -7.497 488 2HB GLU 61 1HB GLU 61 -19.495 2.198 -7.315 489 1HG GLU 61 2HG GLU 61 -21.932 2.786 -6.818 490 2HG GLU 61 1HG GLU 61 -22.221 1.051 -6.680 491 H THR 62 H THR 62 -18.251 1.993 -8.770 492 HA THR 62 HA THR 62 -17.752 1.232 -11.611 493 HB THR 62 HB THR 62 -16.349 2.991 -11.361 494 HG1 THR 62 1HG THR 62 -14.998 1.532 -9.360 495 1HG2 THR 62 1HG2 THR 62 -17.522 3.931 -9.537 496 2HG2 THR 62 2HG2 THR 62 -15.848 3.861 -8.982 497 3HG2 THR 62 3HG2 THR 62 -17.009 2.649 -8.439 498 H HIS 63 H HIS 63 -18.534 -0.960 -10.115 499 HA HIS 63 HA HIS 63 -16.449 -2.347 -8.722 500 1HB HIS 63 2HB HIS 63 -18.450 -3.384 -8.363 501 2HB HIS 63 1HB HIS 63 -19.098 -2.867 -9.920 502 HD1 HIS 63 1HD HIS 63 -17.627 -4.181 -12.015 503 HD2 HIS 63 2HD HIS 63 -18.147 -6.119 -8.362 504 HE1 HIS 63 1HE HIS 63 -17.265 -6.649 -12.456 505 H GLU 64 H GLU 64 -14.606 -3.265 -9.554 506 HA GLU 64 HA GLU 64 -14.595 -4.027 -12.457 507 1HB GLU 64 2HB GLU 64 -12.800 -2.296 -10.808 508 2HB GLU 64 1HB GLU 64 -12.055 -3.278 -12.071 509 1HG GLU 64 2HG GLU 64 -14.495 -1.955 -12.990 510 2HG GLU 64 1HG GLU 64 -13.274 -0.806 -12.444 511 H LYS 65 H LYS 65 -13.582 -5.989 -12.902 512 HA LYS 65 HA LYS 65 -12.779 -7.640 -10.565 513 1HB LYS 65 2HB LYS 65 -13.573 -8.084 -13.437 514 2HB LYS 65 1HB LYS 65 -12.753 -9.367 -12.548 515 1HG LYS 65 2HG LYS 65 -15.454 -8.154 -12.059 516 2HG LYS 65 1HG LYS 65 -14.982 -9.854 -12.079 517 1HD LYS 65 2HD LYS 65 -13.466 -8.999 -10.014 518 2HD LYS 65 1HD LYS 65 -14.812 -7.868 -9.874 519 1HE LYS 65 2HE LYS 65 -16.244 -9.494 -9.161 520 2HE LYS 65 1HE LYS 65 -15.641 -10.665 -10.351 521 1HZ LYS 65 1HZ LYS 65 -13.655 -9.938 -8.425 522 2HZ LYS 65 2HZ LYS 65 -15.018 -10.635 -7.690 523 H VAL 66 H VAL 66 -10.615 -7.577 -10.061 524 HA VAL 66 HA VAL 66 -8.627 -6.827 -12.113 525 HB VAL 66 HB VAL 66 -8.904 -6.198 -9.536 526 1HG1 VAL 66 1HG1 VAL 66 -6.780 -8.100 -8.971 527 2HG1 VAL 66 2HG1 VAL 66 -8.279 -8.927 -9.393 528 3HG1 VAL 66 3HG1 VAL 66 -8.254 -7.773 -8.059 529 1HG2 VAL 66 1HG2 VAL 66 -6.078 -6.768 -10.294 530 2HG2 VAL 66 2HG2 VAL 66 -6.805 -5.269 -9.717 531 3HG2 VAL 66 3HG2 VAL 66 -7.010 -5.757 -11.399 532 H GLN 67 H GLN 67 -7.495 -8.345 -13.250 533 HA GLN 67 HA GLN 67 -7.014 -11.022 -12.020 534 1HB GLN 67 2HB GLN 67 -7.618 -11.792 -14.503 535 2HB GLN 67 1HB GLN 67 -8.881 -11.567 -13.292 536 1HG GLN 67 2HG GLN 67 -8.345 -9.023 -14.463 537 2HG GLN 67 1HG GLN 67 -8.548 -10.185 -15.775 538 1HE2 GLN 67 1HE2 GLN 67 -10.362 -8.013 -14.242 539 2HE2 GLN 67 2HE2 GLN 67 -11.844 -8.832 -14.130 540 H GLY 68 H GLY 68 -5.251 -12.190 -13.161 541 1HA GLY 68 2HA GLY 68 -3.377 -12.273 -14.670 542 2HA GLY 68 1HA GLY 68 -3.625 -10.566 -15.032 543 H GLY 69 H GLY 69 -3.913 -10.688 -11.786 544 1HA GLY 69 2HA GLY 69 -2.232 -10.762 -10.023 545 2HA GLY 69 1HA GLY 69 -0.983 -10.599 -11.258 546 H PHE 70 H PHE 70 -3.304 -8.493 -12.200 547 HA PHE 70 HA PHE 70 -1.883 -6.211 -10.911 548 1HB PHE 70 2HB PHE 70 -3.918 -5.880 -13.068 549 2HB PHE 70 1HB PHE 70 -2.354 -5.089 -12.875 550 HD1 PHE 70 1HD PHE 70 -0.365 -7.066 -12.740 551 HD2 PHE 70 2HD PHE 70 -4.023 -7.186 -14.989 552 HE1 PHE 70 1HE PHE 70 0.653 -8.693 -14.310 553 HE2 PHE 70 2HE PHE 70 -3.004 -8.813 -16.559 554 HZ PHE 70 HZ PHE 70 -0.666 -9.567 -16.219 555 H GLY 71 H GLY 71 -3.019 -6.273 -8.854 556 1HA GLY 71 2HA GLY 71 -4.690 -5.234 -7.510 557 2HA GLY 71 1HA GLY 71 -5.651 -4.960 -8.964 558 H LYS 72 H LYS 72 -4.340 -8.129 -8.394 559 HA LYS 72 HA LYS 72 -6.975 -9.341 -8.439 560 1HB LYS 72 2HB LYS 72 -5.734 -11.350 -8.466 561 2HB LYS 72 1HB LYS 72 -4.615 -10.193 -9.187 562 1HG LYS 72 2HG LYS 72 -3.367 -11.410 -7.537 563 2HG LYS 72 1HG LYS 72 -3.680 -9.814 -6.855 564 1HD LYS 72 2HD LYS 72 -4.128 -11.610 -5.207 565 2HD LYS 72 1HD LYS 72 -5.592 -10.707 -5.596 566 1HE LYS 72 2HE LYS 72 -6.518 -12.471 -6.812 567 2HE LYS 72 1HE LYS 72 -4.933 -13.175 -7.186 568 1HZ LYS 72 1HZ LYS 72 -6.574 -13.885 -5.097 569 2HZ LYS 72 2HZ LYS 72 -4.944 -14.322 -5.294 570 H TYR 73 H TYR 73 -5.248 -7.780 -6.019 571 HA TYR 73 HA TYR 73 -6.153 -9.463 -3.777 572 1HB TYR 73 2HB TYR 73 -4.839 -6.727 -3.963 573 2HB TYR 73 1HB TYR 73 -5.055 -7.642 -2.470 574 HD1 TYR 73 1HD TYR 73 -3.603 -9.448 -1.893 575 HD2 TYR 73 2HD TYR 73 -3.401 -7.674 -5.801 576 HE1 TYR 73 1HE TYR 73 -1.515 -10.703 -2.354 577 HE2 TYR 73 2HE TYR 73 -1.312 -8.930 -6.262 578 HH TYR 73 HH TYR 73 0.617 -10.095 -4.231 579 H GLN 74 H GLN 74 -7.151 -6.609 -5.561 580 HA GLN 74 HA GLN 74 -9.265 -5.957 -3.576 581 1HB GLN 74 2HB GLN 74 -9.266 -4.458 -6.067 582 2HB GLN 74 1HB GLN 74 -8.960 -3.883 -4.428 583 1HG GLN 74 2HG GLN 74 -6.802 -3.621 -5.021 584 2HG GLN 74 1HG GLN 74 -6.685 -5.379 -5.092 585 1HE2 GLN 74 1HE2 GLN 74 -8.817 -5.129 -7.410 586 2HE2 GLN 74 2HE2 GLN 74 -7.853 -4.768 -8.759 587 H GLY 75 H GLY 75 -8.968 -6.875 -7.028 588 1HA GLY 75 2HA GLY 75 -10.468 -8.096 -8.371 589 2HA GLY 75 1HA GLY 75 -11.393 -8.461 -6.913 590 H THR 76 H THR 76 -13.052 -7.027 -6.263 591 HA THR 76 HA THR 76 -13.999 -5.209 -8.434 592 HB THR 76 HB THR 76 -15.839 -5.596 -6.251 593 HG1 THR 76 1HG THR 76 -15.783 -7.717 -5.984 594 1HG2 THR 76 1HG2 THR 76 -17.009 -6.925 -8.154 595 2HG2 THR 76 2HG2 THR 76 -15.657 -6.384 -9.151 596 3HG2 THR 76 3HG2 THR 76 -16.724 -5.201 -8.392 597 H TRP 77 H TRP 77 -12.207 -3.680 -7.558 598 HA TRP 77 HA TRP 77 -12.608 -2.446 -4.954 599 1HB TRP 77 2HB TRP 77 -10.999 -0.741 -6.187 600 2HB TRP 77 1HB TRP 77 -10.416 -2.344 -5.736 601 HD1 TRP 77 HD TRP 77 -12.818 -2.625 -8.504 602 HE1 TRP 77 1HE TRP 77 -11.592 -2.961 -10.748 603 HE3 TRP 77 3HE TRP 77 -8.054 -1.446 -7.095 604 HZ2 TRP 77 2HZ TRP 77 -8.944 -2.755 -11.805 605 HZ3 TRP 77 3HZ TRP 77 -6.201 -1.524 -8.738 606 HH2 TRP 77 HH TRP 77 -6.639 -2.176 -11.089 607 H VAL 78 H VAL 78 -13.136 -0.116 -4.716 608 HA VAL 78 HA VAL 78 -14.842 1.013 -6.891 609 HB VAL 78 HB VAL 78 -16.351 1.607 -4.760 610 1HG1 VAL 78 1HG1 VAL 78 -17.643 -0.492 -5.236 611 2HG1 VAL 78 2HG1 VAL 78 -16.282 -1.058 -6.205 612 3HG1 VAL 78 3HG1 VAL 78 -17.172 0.384 -6.693 613 1HG2 VAL 78 1HG2 VAL 78 -16.164 0.167 -2.960 614 2HG2 VAL 78 2HG2 VAL 78 -14.469 0.231 -3.448 615 3HG2 VAL 78 3HG2 VAL 78 -15.478 -1.132 -3.937 616 HA PRO 79 HA PRO 79 -13.020 4.893 -6.009 617 1HB PRO 79 2HB PRO 79 -15.728 6.007 -5.462 618 2HB PRO 79 1HB PRO 79 -14.509 6.538 -6.637 619 1HG PRO 79 2HG PRO 79 -16.724 5.203 -7.362 620 2HG PRO 79 1HG PRO 79 -15.185 5.044 -8.222 621 1HD PRO 79 2HD PRO 79 -16.539 3.127 -6.424 622 2HD PRO 79 1HD PRO 79 -15.392 2.829 -7.748 623 H LEU 80 H LEU 80 -11.963 4.967 -4.035 624 HA LEU 80 HA LEU 80 -12.925 4.232 -1.517 625 1HB LEU 80 2HB LEU 80 -10.645 4.597 -1.601 626 2HB LEU 80 1HB LEU 80 -10.810 6.036 -2.607 627 HG LEU 80 HG LEU 80 -12.056 6.870 -0.333 628 1HD1 LEU 80 1HD1 LEU 80 -9.762 5.834 1.067 629 2HD1 LEU 80 2HD1 LEU 80 -10.694 4.492 0.402 630 3HD1 LEU 80 3HD1 LEU 80 -11.470 5.660 1.472 631 1HD2 LEU 80 1HD2 LEU 80 -9.139 6.988 -1.136 632 2HD2 LEU 80 2HD2 LEU 80 -9.791 7.928 0.207 633 3HD2 LEU 80 3HD2 LEU 80 -10.391 8.195 -1.431 634 H ASN 81 H ASN 81 -13.395 7.287 -3.238 635 HA ASN 81 HA ASN 81 -14.320 8.869 -1.030 636 1HB ASN 81 2HB ASN 81 -14.628 8.863 -4.027 637 2HB ASN 81 1HB ASN 81 -15.513 10.040 -3.055 638 1HD2 ASN 81 1HD2 ASN 81 -14.050 11.662 -4.211 639 2HD2 ASN 81 2HD2 ASN 81 -12.500 11.936 -3.575 640 H ILE 82 H ILE 82 -15.880 6.506 -3.122 641 HA ILE 82 HA ILE 82 -18.494 6.996 -1.747 642 HB ILE 82 HB ILE 82 -19.472 6.039 -3.709 643 1HG1 ILE 82 2HG1 ILE 82 -17.971 4.985 -5.469 644 2HG1 ILE 82 1HG1 ILE 82 -16.671 5.032 -4.277 645 1HG2 ILE 82 1HG2 ILE 82 -18.014 7.208 -5.586 646 2HG2 ILE 82 2HG2 ILE 82 -17.139 7.858 -4.199 647 3HG2 ILE 82 3HG2 ILE 82 -18.863 8.179 -4.383 648 1HD1 ILE 82 1HD1 ILE 82 -18.364 2.928 -4.543 649 2HD1 ILE 82 2HD1 ILE 82 -19.234 3.875 -3.336 650 3HD1 ILE 82 3HD1 ILE 82 -17.579 3.352 -3.021 651 H ALA 83 H ALA 83 -16.023 4.579 -2.478 652 HA ALA 83 HA ALA 83 -17.398 2.265 -1.495 653 1HB ALA 83 1HB ALA 83 -14.700 1.861 -1.039 654 2HB ALA 83 2HB ALA 83 -14.692 3.132 -2.263 655 3HB ALA 83 3HB ALA 83 -15.511 1.604 -2.585 656 H LYS 84 H LYS 84 -14.842 4.230 0.130 657 HA LYS 84 HA LYS 84 -15.159 3.026 2.692 658 1HB LYS 84 2HB LYS 84 -13.196 4.246 2.352 659 2HB LYS 84 1HB LYS 84 -14.046 5.578 1.565 660 1HG LYS 84 2HG LYS 84 -15.194 5.712 4.001 661 2HG LYS 84 1HG LYS 84 -13.625 5.049 4.461 662 1HD LYS 84 2HD LYS 84 -12.568 6.897 3.066 663 2HD LYS 84 1HD LYS 84 -14.175 7.620 2.963 664 1HE LYS 84 2HE LYS 84 -14.296 7.809 5.399 665 2HE LYS 84 1HE LYS 84 -12.737 6.978 5.564 666 1HZ LYS 84 1HZ LYS 84 -13.272 9.697 4.818 667 2HZ LYS 84 2HZ LYS 84 -11.821 8.988 5.343 668 H GLN 85 H GLN 85 -16.891 5.677 1.113 669 HA GLN 85 HA GLN 85 -18.200 6.655 3.504 670 1HB GLN 85 2HB GLN 85 -18.147 8.165 1.722 671 2HB GLN 85 1HB GLN 85 -18.488 6.914 0.525 672 1HG GLN 85 2HG GLN 85 -20.668 7.122 2.421 673 2HG GLN 85 1HG GLN 85 -20.340 8.689 1.681 674 1HE2 GLN 85 1HE2 GLN 85 -19.797 8.320 -0.885 675 2HE2 GLN 85 2HE2 GLN 85 -20.951 7.368 -1.688 676 H LEU 86 H LEU 86 -18.774 4.021 1.293 677 HA LEU 86 HA LEU 86 -21.547 3.597 2.238 678 1HB LEU 86 2HB LEU 86 -20.759 3.290 -0.139 679 2HB LEU 86 1HB LEU 86 -19.786 1.934 0.426 680 HG LEU 86 HG LEU 86 -21.576 0.578 0.329 681 1HD1 LEU 86 1HD1 LEU 86 -22.028 2.009 2.617 682 2HD1 LEU 86 2HD1 LEU 86 -23.024 0.655 2.085 683 3HD1 LEU 86 3HD1 LEU 86 -23.520 2.309 1.727 684 1HD2 LEU 86 1HD2 LEU 86 -23.839 1.935 -0.341 685 2HD2 LEU 86 2HD2 LEU 86 -22.603 1.472 -1.510 686 3HD2 LEU 86 3HD2 LEU 86 -22.612 3.101 -0.835 687 H ALA 87 H ALA 87 -18.354 2.047 2.426 688 HA ALA 87 HA ALA 87 -19.354 -0.053 4.235 689 1HB ALA 87 1HB ALA 87 -17.712 -0.859 2.805 690 2HB ALA 87 2HB ALA 87 -16.711 -0.414 4.188 691 3HB ALA 87 3HB ALA 87 -16.828 0.667 2.800 692 H GLU 88 H GLU 88 -16.725 2.400 4.479 693 HA GLU 88 HA GLU 88 -15.965 2.307 7.061 694 1HB GLU 88 2HB GLU 88 -15.206 4.393 6.608 695 2HB GLU 88 1HB GLU 88 -15.929 4.139 5.027 696 1HG GLU 88 2HG GLU 88 -17.966 5.242 5.692 697 2HG GLU 88 1HG GLU 88 -17.442 5.306 7.374 698 H LYS 89 H LYS 89 -19.208 3.090 6.003 699 HA LYS 89 HA LYS 89 -20.138 4.309 8.449 700 1HB LYS 89 2HB LYS 89 -21.322 4.589 6.361 701 2HB LYS 89 1HB LYS 89 -21.464 2.844 6.149 702 1HG LYS 89 2HG LYS 89 -22.921 2.682 8.099 703 2HG LYS 89 1HG LYS 89 -22.712 4.403 8.430 704 1HD LYS 89 2HD LYS 89 -24.724 3.281 6.871 705 2HD LYS 89 1HD LYS 89 -24.264 4.984 6.894 706 1HE LYS 89 2HE LYS 89 -22.455 4.316 5.154 707 2HE LYS 89 1HE LYS 89 -23.418 2.840 4.942 708 1HZ LYS 89 1HZ LYS 89 -24.335 4.396 3.454 709 2HZ LYS 89 2HZ LYS 89 -25.397 4.378 4.779 710 H PHE 90 H PHE 90 -21.931 1.532 7.490 711 HA PHE 90 HA PHE 90 -21.235 0.188 10.079 712 1HB PHE 90 2HB PHE 90 -23.617 1.112 9.235 713 2HB PHE 90 1HB PHE 90 -23.672 -0.487 8.494 714 HD1 PHE 90 1HD PHE 90 -25.317 0.736 10.912 715 HD2 PHE 90 2HD PHE 90 -21.919 -1.872 10.612 716 HE1 PHE 90 1HE PHE 90 -25.890 -0.262 13.109 717 HE2 PHE 90 2HE PHE 90 -22.490 -2.871 12.809 718 HZ PHE 90 HZ PHE 90 -24.477 -2.066 14.058 719 H SER 91 H SER 91 -20.607 -0.017 6.822 720 HA SER 91 HA SER 91 -21.032 -2.781 6.226 721 1HB SER 91 2HB SER 91 -20.569 -0.822 4.678 722 2HB SER 91 1HB SER 91 -18.880 -0.941 5.161 723 HG SER 91 HG SER 91 -20.471 -2.727 3.689 724 H VAL 92 H VAL 92 -17.718 -1.673 6.051 725 HA VAL 92 HA VAL 92 -16.915 -3.789 8.016 726 HB VAL 92 HB VAL 92 -15.392 -2.873 5.563 727 1HG1 VAL 92 1HG1 VAL 92 -14.468 -5.250 5.863 728 2HG1 VAL 92 2HG1 VAL 92 -15.254 -5.239 7.442 729 3HG1 VAL 92 3HG1 VAL 92 -13.990 -4.063 7.078 730 1HG2 VAL 92 1HG2 VAL 92 -17.812 -3.903 5.245 731 2HG2 VAL 92 2HG2 VAL 92 -16.985 -5.415 5.619 732 3HG2 VAL 92 3HG2 VAL 92 -16.474 -4.449 4.235 733 H TYR 93 H TYR 93 -17.255 -0.638 7.926 734 HA TYR 93 HA TYR 93 -15.055 0.914 8.078 735 1HB TYR 93 2HB TYR 93 -16.744 2.050 9.092 736 2HB TYR 93 1HB TYR 93 -17.457 0.567 9.728 737 HD1 TYR 93 1HD TYR 93 -17.220 0.005 12.002 738 HD2 TYR 93 2HD TYR 93 -14.620 2.946 10.258 739 HE1 TYR 93 1HE TYR 93 -16.295 0.518 14.245 740 HE2 TYR 93 2HE TYR 93 -13.696 3.460 12.501 741 HH TYR 93 HH TYR 93 -13.492 2.067 14.766 742 H ASP 94 H ASP 94 -15.864 -1.075 10.963 743 HA ASP 94 HA ASP 94 -13.546 -0.836 12.426 744 1HB ASP 94 2HB ASP 94 -15.753 -2.613 12.197 745 2HB ASP 94 1HB ASP 94 -14.306 -3.611 12.339 746 H GLN 95 H GLN 95 -14.010 -3.478 10.037 747 HA GLN 95 HA GLN 95 -11.404 -4.508 10.030 748 1HB GLN 95 2HB GLN 95 -13.799 -4.644 8.492 749 2HB GLN 95 1HB GLN 95 -12.459 -4.453 7.362 750 1HG GLN 95 2HG GLN 95 -11.634 -6.518 7.810 751 2HG GLN 95 1HG GLN 95 -11.905 -6.345 9.544 752 1HE2 GLN 95 1HE2 GLN 95 -12.933 -8.100 6.879 753 2HE2 GLN 95 2HE2 GLN 95 -14.467 -8.562 7.438 754 H LEU 96 H LEU 96 -12.689 -1.807 8.068 755 HA LEU 96 HA LEU 96 -10.112 -1.306 6.782 756 1HB LEU 96 2HB LEU 96 -12.219 0.779 6.839 757 2HB LEU 96 1HB LEU 96 -11.397 0.050 5.458 758 HG LEU 96 HG LEU 96 -13.843 -0.869 6.912 759 1HD1 LEU 96 1HD1 LEU 96 -14.541 -0.156 4.867 760 2HD1 LEU 96 2HD1 LEU 96 -13.954 -1.722 4.310 761 3HD1 LEU 96 3HD1 LEU 96 -12.930 -0.294 4.163 762 1HD2 LEU 96 1HD2 LEU 96 -12.849 -2.907 7.235 763 2HD2 LEU 96 2HD2 LEU 96 -11.585 -2.591 6.046 764 3HD2 LEU 96 3HD2 LEU 96 -13.186 -3.109 5.515 765 H LYS 97 H LYS 97 -10.100 -1.223 9.746 766 HA LYS 97 HA LYS 97 -10.168 1.359 10.870 767 1HB LYS 97 2HB LYS 97 -8.874 -1.245 11.352 768 2HB LYS 97 1HB LYS 97 -8.017 0.120 12.069 769 1HG LYS 97 2HG LYS 97 -9.730 0.612 13.521 770 2HG LYS 97 1HG LYS 97 -10.977 0.066 12.399 771 1HD LYS 97 2HD LYS 97 -11.095 -1.840 13.596 772 2HD LYS 97 1HD LYS 97 -9.486 -2.235 12.990 773 1HE LYS 97 2HE LYS 97 -10.195 -0.830 15.582 774 2HE LYS 97 1HE LYS 97 -9.268 -2.329 15.367 775 1HZ LYS 97 1HZ LYS 97 -7.424 -1.169 15.006 776 2HZ LYS 97 2HZ LYS 97 -8.174 -0.246 13.792 777 HA PRO 98 HA PRO 98 -5.553 1.947 9.620 778 1HB PRO 98 2HB PRO 98 -5.043 -0.177 7.647 779 2HB PRO 98 1HB PRO 98 -4.100 0.265 9.080 780 1HG PRO 98 2HG PRO 98 -5.551 -2.011 8.905 781 2HG PRO 98 1HG PRO 98 -5.227 -1.174 10.431 782 1HD PRO 98 2HD PRO 98 -7.722 -1.259 8.819 783 2HD PRO 98 1HD PRO 98 -7.509 -1.144 10.580 784 H LEU 99 H LEU 99 -7.049 0.234 6.842 785 HA LEU 99 HA LEU 99 -6.396 1.992 4.781 786 1HB LEU 99 2HB LEU 99 -7.585 -0.148 4.526 787 2HB LEU 99 1HB LEU 99 -9.007 0.532 5.319 788 HG LEU 99 HG LEU 99 -7.850 1.854 2.873 789 1HD1 LEU 99 1HD1 LEU 99 -10.150 0.066 2.444 790 2HD1 LEU 99 2HD1 LEU 99 -8.649 -0.779 2.821 791 3HD1 LEU 99 3HD1 LEU 99 -8.721 0.318 1.443 792 1HD2 LEU 99 1HD2 LEU 99 -10.232 2.067 4.579 793 2HD2 LEU 99 2HD2 LEU 99 -10.612 2.014 2.857 794 3HD2 LEU 99 3HD2 LEU 99 -9.528 3.256 3.483 795 H PHE 100 H PHE 100 -9.187 2.232 7.007 796 HA PHE 100 HA PHE 100 -10.345 4.597 5.930 797 1HB PHE 100 2HB PHE 100 -10.323 3.095 8.508 798 2HB PHE 100 1HB PHE 100 -10.954 4.742 8.555 799 HD1 PHE 100 1HD PHE 100 -11.350 3.575 5.284 800 HD2 PHE 100 2HD PHE 100 -13.037 3.145 9.212 801 HE1 PHE 100 1HE PHE 100 -13.479 2.790 4.284 802 HE2 PHE 100 2HE PHE 100 -15.166 2.360 8.210 803 HZ PHE 100 HZ PHE 100 -15.387 2.182 5.746 804 H ASP 101 H ASP 101 -7.845 4.174 8.452 805 HA ASP 101 HA ASP 101 -7.517 6.931 9.123 806 1HB ASP 101 2HB ASP 101 -5.592 6.143 10.247 807 2HB ASP 101 1HB ASP 101 -6.619 4.710 10.168 808 H PHE 102 H PHE 102 -6.478 5.046 6.378 809 HA PHE 102 HA PHE 102 -5.803 7.289 4.761 810 1HB PHE 102 2HB PHE 102 -3.964 6.870 6.775 811 2HB PHE 102 1HB PHE 102 -3.236 6.003 5.423 812 HD1 PHE 102 1HD PHE 102 -2.141 7.174 3.692 813 HD2 PHE 102 2HD PHE 102 -4.755 9.285 6.368 814 HE1 PHE 102 1HE PHE 102 -1.417 9.328 2.698 815 HE2 PHE 102 2HE PHE 102 -4.031 11.439 5.374 816 HZ PHE 102 HZ PHE 102 -2.362 11.460 3.540 817 H THR 103 H THR 103 -6.394 6.287 2.860 818 HA THR 103 HA THR 103 -4.993 3.755 2.133 819 HB THR 103 HB THR 103 -7.316 3.424 3.165 820 HG1 THR 103 1HG THR 103 -7.336 2.572 0.500 821 1HG2 THR 103 1HG2 THR 103 -9.221 3.913 1.676 822 2HG2 THR 103 2HG2 THR 103 -8.125 4.678 0.525 823 3HG2 THR 103 3HG2 THR 103 -8.369 5.392 2.119 824 H GLN 104 H GLN 104 -5.498 6.856 1.347 825 HA GLN 104 HA GLN 104 -5.800 6.357 -1.590 826 1HB GLN 104 2HB GLN 104 -7.444 7.875 -0.850 827 2HB GLN 104 1HB GLN 104 -6.341 8.658 0.282 828 1HG GLN 104 2HG GLN 104 -5.111 8.995 -2.201 829 2HG GLN 104 1HG GLN 104 -6.825 9.253 -2.531 830 1HE2 GLN 104 1HE2 GLN 104 -5.769 9.922 0.721 831 2HE2 GLN 104 2HE2 GLN 104 -5.777 11.615 0.593 832 H THR 105 H THR 105 -4.376 7.690 -3.003 833 HA THR 105 HA THR 105 -1.626 7.830 -1.906 834 HB THR 105 HB THR 105 -1.848 6.698 -3.988 835 HG1 THR 105 1HG THR 105 -0.709 8.048 -5.386 836 1HG2 THR 105 1HG2 THR 105 -4.110 8.316 -4.281 837 2HG2 THR 105 2HG2 THR 105 -3.536 7.100 -5.422 838 3HG2 THR 105 3HG2 THR 105 -3.052 8.786 -5.611 839 H ASP 106 H ASP 106 -0.325 9.786 -2.213 840 HA ASP 106 HA ASP 106 -1.906 12.258 -1.847 841 1HB ASP 106 2HB ASP 106 0.940 12.642 -1.901 842 2HB ASP 106 1HB ASP 106 -0.139 12.685 -0.507 843 H GLY 107 H GLY 107 -0.510 10.587 -4.443 844 1HA GLY 107 2HA GLY 107 -0.577 11.294 -6.727 845 2HA GLY 107 1HA GLY 107 -0.810 12.955 -6.179 846 H SER 108 H SER 108 1.551 12.218 -4.227 847 HA SER 108 HA SER 108 3.625 13.434 -5.879 848 1HB SER 108 2HB SER 108 3.096 13.594 -3.324 849 2HB SER 108 1HB SER 108 4.013 12.096 -3.205 850 HG SER 108 HG SER 108 4.909 14.597 -3.436 851 H ALA 109 H ALA 109 5.850 12.346 -5.980 852 HA ALA 109 HA ALA 109 6.115 10.181 -7.552 853 1HB ALA 109 1HB ALA 109 7.655 11.425 -5.442 854 2HB ALA 109 2HB ALA 109 8.232 10.668 -6.927 855 3HB ALA 109 3HB ALA 109 7.979 9.692 -5.480 856 H SER 110 H SER 110 6.665 7.825 -7.010 857 HA SER 110 HA SER 110 4.471 6.637 -5.504 858 1HB SER 110 2HB SER 110 6.942 5.549 -6.883 859 2HB SER 110 1HB SER 110 5.666 4.533 -6.220 860 HG SER 110 HG SER 110 5.690 5.445 -8.583 861 HA PRO 111 HA PRO 111 7.116 7.023 -1.812 862 1HB PRO 111 2HB PRO 111 4.985 6.666 -0.080 863 2HB PRO 111 1HB PRO 111 5.502 8.239 -0.718 864 1HG PRO 111 2HG PRO 111 3.249 6.505 -1.558 865 2HG PRO 111 1HG PRO 111 3.366 8.270 -1.521 866 1HD PRO 111 2HD PRO 111 3.554 6.796 -3.805 867 2HD PRO 111 1HD PRO 111 4.332 8.380 -3.590 868 HA PRO 112 HA PRO 112 7.563 2.781 -0.811 869 1HB PRO 112 2HB PRO 112 7.724 2.825 1.959 870 2HB PRO 112 1HB PRO 112 9.064 3.227 0.869 871 1HG PRO 112 2HG PRO 112 7.252 5.022 2.380 872 2HG PRO 112 1HG PRO 112 8.961 5.222 1.970 873 1HD PRO 112 2HD PRO 112 6.951 6.533 0.688 874 2HD PRO 112 1HD PRO 112 8.500 6.123 -0.082 875 HA PRO 113 HA PRO 113 3.657 0.988 0.035 876 1HB PRO 113 2HB PRO 113 5.023 -1.088 1.657 877 2HB PRO 113 1HB PRO 113 4.028 -1.272 0.201 878 1HG PRO 113 2HG PRO 113 6.699 -1.566 0.168 879 2HG PRO 113 1HG PRO 113 5.788 -0.935 -1.211 880 1HD PRO 113 2HD PRO 113 7.523 0.502 0.717 881 2HD PRO 113 1HD PRO 113 7.180 0.859 -0.990 882 H ALA 114 H ALA 114 4.220 -0.705 2.806 883 HA ALA 114 HA ALA 114 2.525 0.681 4.520 884 1HB ALA 114 1HB ALA 114 4.871 -0.474 5.855 885 2HB ALA 114 2HB ALA 114 4.209 -1.520 4.598 886 3HB ALA 114 3HB ALA 114 3.183 -0.979 5.927 887 HA PRO 115 HA PRO 115 5.099 4.395 4.850 888 1HB PRO 115 2HB PRO 115 3.078 5.846 6.080 889 2HB PRO 115 1HB PRO 115 3.309 5.734 4.326 890 1HG PRO 115 2HG PRO 115 1.385 4.312 6.074 891 2HG PRO 115 1HG PRO 115 1.201 4.871 4.406 892 1HD PRO 115 2HD PRO 115 1.620 2.267 5.078 893 2HD PRO 115 1HD PRO 115 2.131 2.974 3.529 894 H LYS 116 H LYS 116 6.120 5.325 6.703 895 HA LYS 116 HA LYS 116 6.221 3.694 9.077 896 1HB LYS 116 2HB LYS 116 7.133 6.531 9.103 897 2HB LYS 116 1HB LYS 116 8.005 5.069 9.567 898 1HG LYS 116 2HG LYS 116 7.561 4.727 6.842 899 2HG LYS 116 1HG LYS 116 7.937 6.444 6.990 900 1HD LYS 116 2HD LYS 116 9.637 4.067 7.673 901 2HD LYS 116 1HD LYS 116 10.075 5.541 6.806 902 1HE LYS 116 2HE LYS 116 9.202 6.150 9.518 903 2HE LYS 116 1HE LYS 116 10.576 5.026 9.513 904 1HZ LYS 116 1HZ LYS 116 11.914 6.508 8.484 905 2HZ LYS 116 2HZ LYS 116 10.657 7.189 7.566 906 H HIS 117 H HIS 117 5.524 4.295 11.234 907 HA HIS 117 HA HIS 117 2.926 5.622 11.316 908 1HB HIS 117 2HB HIS 117 3.562 3.633 12.659 909 2HB HIS 117 1HB HIS 117 4.776 4.600 13.497 910 HD1 HIS 117 1HD HIS 117 1.908 3.262 14.548 911 HD2 HIS 117 2HD HIS 117 2.891 7.285 14.061 912 HE1 HIS 117 1HE HIS 117 0.339 4.569 16.046 913 H HIS 118 H HIS 118 2.522 7.729 11.938 914 HA HIS 118 HA HIS 118 4.671 9.645 12.111 915 1HB HIS 118 2HB HIS 118 1.833 9.546 11.851 916 2HB HIS 118 1HB HIS 118 2.199 10.613 13.208 917 HD1 HIS 118 1HD HIS 118 1.108 12.044 10.842 918 HD2 HIS 118 2HD HIS 118 5.178 11.207 11.175 919 HE1 HIS 118 1HE HIS 118 2.302 13.686 9.329 920 H HIS 119 H HIS 119 5.281 10.906 13.989 921 HA HIS 119 HA HIS 119 5.446 9.382 16.457 922 1HB HIS 119 2HB HIS 119 6.440 11.890 15.269 923 2HB HIS 119 1HB HIS 119 6.232 11.962 17.019 924 HD1 HIS 119 1HD HIS 119 6.825 8.564 16.587 925 HD2 HIS 119 2HD HIS 119 9.319 11.887 16.257 926 HE1 HIS 119 1HE HIS 119 9.194 7.708 16.841 927 H ALA 120 H ALA 120 4.506 10.010 18.510 928 HA ALA 120 HA ALA 120 1.865 10.416 18.838 929 1HB ALA 120 1HB ALA 120 4.170 11.728 20.298 930 2HB ALA 120 2HB ALA 120 3.315 10.249 20.735 931 3HB ALA 120 3HB ALA 120 2.512 11.812 20.893 932 H SER 121 H SER 121 0.574 12.447 19.392 933 HA SER 121 HA SER 121 1.096 14.525 17.323 934 1HB SER 121 2HB SER 121 -1.143 13.102 18.257 935 2HB SER 121 1HB SER 121 -1.372 14.746 18.844 936 HG SER 121 HG SER 121 -1.327 15.491 16.796 937 H LYS 122 H LYS 122 2.795 15.629 18.580 938 HA LYS 122 HA LYS 122 2.070 16.785 21.196 939 1HB LYS 122 2HB LYS 122 4.340 15.890 20.539 940 2HB LYS 122 1HB LYS 122 4.486 17.244 19.418 941 1HG LYS 122 2HG LYS 122 4.990 18.690 21.079 942 2HG LYS 122 1HG LYS 122 3.670 18.101 22.090 943 1HD LYS 122 2HD LYS 122 5.154 16.042 22.527 944 2HD LYS 122 1HD LYS 122 6.471 17.001 21.853 945 1HE LYS 122 2HE LYS 122 5.498 17.081 24.514 946 2HE LYS 122 1HE LYS 122 6.674 18.188 23.776 947 1HZ LYS 122 1HZ LYS 122 4.781 19.448 24.521 948 2HZ LYS 122 2HZ LYS 122 3.713 18.432 23.679 949 H VAL 123 H VAL 123 0.371 18.277 20.716 950 HA VAL 123 HA VAL 123 0.472 20.186 18.556 951 HB VAL 123 HB VAL 123 -1.483 19.279 20.008 952 1HG1 VAL 123 1HG1 VAL 123 -0.177 21.297 21.799 953 2HG1 VAL 123 2HG1 VAL 123 -0.926 19.756 22.214 954 3HG1 VAL 123 3HG1 VAL 123 -1.934 21.150 21.826 955 1HG2 VAL 123 1HG2 VAL 123 -1.347 21.312 18.298 956 2HG2 VAL 123 2HG2 VAL 123 -1.614 22.263 19.760 957 3HG2 VAL 123 3HG2 VAL 123 -2.794 21.047 19.271 958 H ASP 124 H ASP 124 1.148 22.366 18.599 959 HA ASP 124 HA ASP 124 3.315 23.078 20.343 960 1HB ASP 124 2HB ASP 124 3.301 24.099 18.239 961 2HB ASP 124 1HB ASP 124 1.568 24.427 18.303 Start of MODEL 9 1 H SER 2 H SER 2 -3.680 0.908 11.116 2 HA SER 2 HA SER 2 -1.733 1.247 9.818 3 1HB SER 2 2HB SER 2 -0.709 2.957 10.885 4 2HB SER 2 1HB SER 2 -1.517 2.484 12.376 5 HG SER 2 HG SER 2 0.483 0.787 11.884 6 H ASN 3 H ASN 3 -2.243 -1.448 11.202 7 HA ASN 3 HA ASN 3 0.506 -2.473 11.613 8 1HB ASN 3 2HB ASN 3 -2.299 -3.587 11.838 9 2HB ASN 3 1HB ASN 3 -0.866 -4.588 12.076 10 1HD2 ASN 3 1HD2 ASN 3 -2.390 -4.425 14.308 11 2HD2 ASN 3 2HD2 ASN 3 -1.742 -3.342 15.441 12 H GLN 4 H GLN 4 -2.213 -2.864 9.353 13 HA GLN 4 HA GLN 4 -0.360 -4.381 7.534 14 1HB GLN 4 2HB GLN 4 -3.345 -4.460 8.015 15 2HB GLN 4 1HB GLN 4 -2.610 -5.204 6.594 16 1HG GLN 4 2HG GLN 4 -2.198 -7.023 7.857 17 2HG GLN 4 1HG GLN 4 -1.039 -6.053 8.765 18 1HE2 GLN 4 1HE2 GLN 4 -3.977 -7.786 9.032 19 2HE2 GLN 4 2HE2 GLN 4 -4.459 -7.195 10.548 20 H ILE 5 H ILE 5 0.447 -2.447 6.477 21 HA ILE 5 HA ILE 5 -1.598 -1.087 4.758 22 HB ILE 5 HB ILE 5 0.252 -0.063 6.732 23 1HG1 ILE 5 2HG1 ILE 5 -1.102 2.036 5.421 24 2HG1 ILE 5 1HG1 ILE 5 -2.185 0.647 5.331 25 1HG2 ILE 5 1HG2 ILE 5 0.758 0.610 3.852 26 2HG2 ILE 5 2HG2 ILE 5 1.912 0.417 5.171 27 3HG2 ILE 5 3HG2 ILE 5 0.929 1.878 5.066 28 1HD1 ILE 5 1HD1 ILE 5 -2.546 1.951 7.409 29 2HD1 ILE 5 2HD1 ILE 5 -0.866 1.667 7.865 30 3HD1 ILE 5 3HD1 ILE 5 -1.991 0.313 7.756 31 H TYR 6 H TYR 6 -1.066 -2.584 3.004 32 HA TYR 6 HA TYR 6 1.750 -2.401 2.006 33 1HB TYR 6 2HB TYR 6 -0.516 -4.368 1.768 34 2HB TYR 6 1HB TYR 6 0.791 -4.386 0.584 35 HD1 TYR 6 1HD TYR 6 -0.060 -4.829 4.154 36 HD2 TYR 6 2HD TYR 6 3.039 -5.056 1.187 37 HE1 TYR 6 1HE TYR 6 1.382 -6.058 5.754 38 HE2 TYR 6 2HE TYR 6 4.480 -6.287 2.787 39 HH TYR 6 HH TYR 6 4.447 -6.312 5.646 40 H SER 7 H SER 7 2.146 -1.615 -0.069 41 HA SER 7 HA SER 7 -0.217 -0.500 -1.548 42 1HB SER 7 2HB SER 7 2.644 0.459 -1.236 43 2HB SER 7 1HB SER 7 1.475 1.204 -2.324 44 HG SER 7 HG SER 7 1.165 2.328 -0.521 45 H ALA 8 H ALA 8 -0.194 -0.756 -3.844 46 HA ALA 8 HA ALA 8 2.017 -2.417 -4.984 47 1HB ALA 8 1HB ALA 8 -0.032 -3.721 -4.157 48 2HB ALA 8 2HB ALA 8 0.431 -3.994 -5.836 49 3HB ALA 8 3HB ALA 8 -0.928 -2.934 -5.457 50 H ARG 9 H ARG 9 2.396 -2.015 -7.196 51 HA ARG 9 HA ARG 9 0.702 0.113 -8.466 52 1HB ARG 9 2HB ARG 9 2.567 1.386 -8.612 53 2HB ARG 9 1HB ARG 9 3.387 0.194 -7.602 54 1HG ARG 9 2HG ARG 9 4.642 0.507 -9.678 55 2HG ARG 9 1HG ARG 9 3.944 -1.113 -9.647 56 1HD ARG 9 2HD ARG 9 3.283 -0.471 -11.778 57 2HD ARG 9 1HD ARG 9 1.915 0.191 -10.860 58 HE ARG 9 HE ARG 9 2.756 2.355 -11.293 59 1HH1 ARG 9 1HH1 ARG 9 5.165 -0.076 -11.711 60 1HH2 ARG 9 1HH2 ARG 9 4.308 3.807 -12.066 61 2HH2 ARG 9 2HH2 ARG 9 5.878 3.224 -12.506 62 H TYR 10 H TYR 10 -0.414 -1.101 -9.998 63 HA TYR 10 HA TYR 10 1.235 -2.558 -12.011 64 1HB TYR 10 2HB TYR 10 -1.301 -3.740 -10.886 65 2HB TYR 10 1HB TYR 10 0.016 -4.559 -11.727 66 HD1 TYR 10 1HD TYR 10 2.411 -3.596 -10.385 67 HD2 TYR 10 2HD TYR 10 -1.411 -4.635 -8.722 68 HE1 TYR 10 1HE TYR 10 3.493 -4.095 -8.209 69 HE2 TYR 10 2HE TYR 10 -0.329 -5.134 -6.548 70 HH TYR 10 HH TYR 10 2.659 -5.792 -6.090 71 H SER 11 H SER 11 -0.264 -3.195 -13.920 72 HA SER 11 HA SER 11 -1.723 -2.477 -15.633 73 1HB SER 11 2HB SER 11 -3.732 -2.786 -14.649 74 2HB SER 11 1HB SER 11 -3.047 -2.408 -13.071 75 HG SER 11 HG SER 11 -3.924 -0.509 -13.202 76 H GLY 12 H GLY 12 0.432 -0.628 -14.595 77 1HA GLY 12 2HA GLY 12 1.148 1.530 -15.200 78 2HA GLY 12 1HA GLY 12 -0.358 1.718 -16.098 79 H VAL 13 H VAL 13 -1.303 0.772 -13.099 80 HA VAL 13 HA VAL 13 -1.432 3.597 -12.090 81 HB VAL 13 HB VAL 13 -3.605 1.638 -11.508 82 1HG1 VAL 13 1HG1 VAL 13 -4.844 3.539 -11.213 83 2HG1 VAL 13 2HG1 VAL 13 -4.100 4.358 -12.586 84 3HG1 VAL 13 3HG1 VAL 13 -3.257 4.288 -11.039 85 1HG2 VAL 13 1HG2 VAL 13 -4.393 2.790 -13.915 86 2HG2 VAL 13 2HG2 VAL 13 -3.892 1.114 -13.693 87 3HG2 VAL 13 3HG2 VAL 13 -2.718 2.324 -14.212 88 H ASP 14 H ASP 14 -0.751 3.821 -9.981 89 HA ASP 14 HA ASP 14 0.188 1.466 -8.510 90 1HB ASP 14 2HB ASP 14 0.730 3.363 -6.839 91 2HB ASP 14 1HB ASP 14 1.523 3.434 -8.413 92 H VAL 15 H VAL 15 -0.576 0.920 -6.346 93 HA VAL 15 HA VAL 15 -3.192 2.053 -5.504 94 HB VAL 15 HB VAL 15 -4.214 -0.175 -5.514 95 1HG1 VAL 15 1HG1 VAL 15 -4.201 1.240 -7.609 96 2HG1 VAL 15 2HG1 VAL 15 -4.387 -0.489 -7.902 97 3HG1 VAL 15 3HG1 VAL 15 -2.826 0.287 -8.168 98 1HG2 VAL 15 1HG2 VAL 15 -2.889 -2.043 -6.634 99 2HG2 VAL 15 2HG2 VAL 15 -2.334 -1.583 -5.025 100 3HG2 VAL 15 3HG2 VAL 15 -1.462 -1.023 -6.452 101 H TYR 16 H TYR 16 -3.859 0.723 -3.388 102 HA TYR 16 HA TYR 16 -1.378 0.265 -1.763 103 1HB TYR 16 2HB TYR 16 -3.864 1.214 -0.447 104 2HB TYR 16 1HB TYR 16 -2.196 1.726 -0.192 105 HD1 TYR 16 1HD TYR 16 -4.904 3.363 -0.690 106 HD2 TYR 16 2HD TYR 16 -1.509 2.309 -3.099 107 HE1 TYR 16 1HE TYR 16 -5.297 5.355 -2.115 108 HE2 TYR 16 2HE TYR 16 -1.900 4.301 -4.524 109 HH TYR 16 HH TYR 16 -3.881 5.773 -5.118 110 H GLU 17 H GLU 17 -1.443 -1.603 -0.467 111 HA GLU 17 HA GLU 17 -3.969 -3.215 -0.622 112 1HB GLU 17 2HB GLU 17 -2.521 -5.159 -0.755 113 2HB GLU 17 1HB GLU 17 -1.972 -3.983 -1.951 114 1HG GLU 17 2HG GLU 17 -0.684 -3.431 0.558 115 2HG GLU 17 1HG GLU 17 -0.465 -5.137 0.163 116 H PHE 18 H PHE 18 -4.917 -3.208 1.368 117 HA PHE 18 HA PHE 18 -3.150 -3.457 3.782 118 1HB PHE 18 2HB PHE 18 -5.852 -2.110 3.434 119 2HB PHE 18 1HB PHE 18 -4.927 -2.169 4.935 120 HD1 PHE 18 1HD PHE 18 -4.148 -0.002 5.372 121 HD2 PHE 18 2HD PHE 18 -3.848 -1.594 1.394 122 HE1 PHE 18 1HE PHE 18 -2.870 2.003 4.666 123 HE2 PHE 18 2HE PHE 18 -2.570 0.411 0.688 124 HZ PHE 18 HZ PHE 18 -2.081 2.209 2.324 125 H ILE 19 H ILE 19 -3.946 -4.911 5.432 126 HA ILE 19 HA ILE 19 -5.530 -7.147 4.406 127 HB ILE 19 HB ILE 19 -3.785 -6.460 6.656 128 1HG1 ILE 19 2HG1 ILE 19 -2.956 -8.607 6.265 129 2HG1 ILE 19 1HG1 ILE 19 -4.533 -9.238 5.789 130 1HG2 ILE 19 1HG2 ILE 19 -6.425 -7.232 7.336 131 2HG2 ILE 19 2HG2 ILE 19 -5.027 -7.139 8.406 132 3HG2 ILE 19 3HG2 ILE 19 -5.409 -8.652 7.586 133 1HD1 ILE 19 1HD1 ILE 19 -3.617 -9.053 3.691 134 2HD1 ILE 19 2HD1 ILE 19 -2.516 -7.762 4.173 135 3HD1 ILE 19 3HD1 ILE 19 -4.210 -7.400 3.848 136 H HIS 20 H HIS 20 -7.692 -7.470 4.716 137 HA HIS 20 HA HIS 20 -9.104 -6.055 6.913 138 1HB HIS 20 2HB HIS 20 -9.173 -5.417 4.029 139 2HB HIS 20 1HB HIS 20 -10.764 -5.575 4.775 140 HD1 HIS 20 1HD HIS 20 -9.618 -4.542 7.639 141 HD2 HIS 20 2HD HIS 20 -9.398 -2.558 3.978 142 HE1 HIS 20 1HE HIS 20 -9.338 -2.081 8.173 143 H SER 21 H SER 21 -11.642 -6.674 5.314 144 HA SER 21 HA SER 21 -12.212 -9.249 6.440 145 1HB SER 21 2HB SER 21 -13.513 -7.132 5.041 146 2HB SER 21 1HB SER 21 -13.883 -8.625 4.183 147 HG SER 21 HG SER 21 -14.347 -9.475 6.372 148 H THR 22 H THR 22 -11.214 -8.205 3.192 149 HA THR 22 HA THR 22 -11.184 -11.025 2.241 150 HB THR 22 HB THR 22 -10.479 -8.469 0.769 151 HG1 THR 22 1HG THR 22 -12.787 -8.804 0.082 152 1HG2 THR 22 1HG2 THR 22 -11.534 -9.957 -1.105 153 2HG2 THR 22 2HG2 THR 22 -11.208 -11.284 0.009 154 3HG2 THR 22 3HG2 THR 22 -9.882 -10.283 -0.581 155 H GLY 23 H GLY 23 -9.209 -9.370 4.129 156 1HA GLY 23 2HA GLY 23 -6.942 -9.996 4.634 157 2HA GLY 23 1HA GLY 23 -6.779 -10.626 2.992 158 H SER 24 H SER 24 -5.536 -9.381 1.686 159 HA SER 24 HA SER 24 -4.845 -6.633 2.465 160 1HB SER 24 2HB SER 24 -3.130 -8.103 1.613 161 2HB SER 24 1HB SER 24 -4.098 -8.498 0.196 162 HG SER 24 HG SER 24 -3.591 -5.808 0.648 163 H ILE 25 H ILE 25 -5.608 -4.776 1.465 164 HA ILE 25 HA ILE 25 -7.639 -5.151 -0.711 165 HB ILE 25 HB ILE 25 -7.355 -3.298 1.649 166 1HG1 ILE 25 2HG1 ILE 25 -9.350 -5.266 0.574 167 2HG1 ILE 25 1HG1 ILE 25 -8.733 -5.087 2.218 168 1HG2 ILE 25 1HG2 ILE 25 -9.613 -2.562 0.051 169 2HG2 ILE 25 2HG2 ILE 25 -8.174 -2.494 -0.967 170 3HG2 ILE 25 3HG2 ILE 25 -8.241 -1.560 0.528 171 1HD1 ILE 25 1HD1 ILE 25 -11.048 -3.819 0.955 172 2HD1 ILE 25 2HD1 ILE 25 -9.979 -2.652 1.734 173 3HD1 ILE 25 3HD1 ILE 25 -10.658 -3.987 2.666 174 H MET 26 H MET 26 -7.023 -4.310 -2.663 175 HA MET 26 HA MET 26 -4.902 -2.184 -2.671 176 1HB MET 26 2HB MET 26 -4.433 -4.543 -3.565 177 2HB MET 26 1HB MET 26 -5.557 -4.159 -4.868 178 1HG MET 26 2HG MET 26 -4.139 -2.050 -5.249 179 2HG MET 26 1HG MET 26 -2.932 -2.815 -4.214 180 1HE MET 26 1HE MET 26 -3.310 -2.277 -7.962 181 2HE MET 26 2HE MET 26 -4.872 -2.548 -7.195 182 3HE MET 26 3HE MET 26 -4.281 -3.690 -8.398 183 H LYS 27 H LYS 27 -5.607 -0.242 -3.442 184 HA LYS 27 HA LYS 27 -8.117 -0.175 -5.073 185 1HB LYS 27 2HB LYS 27 -8.455 1.128 -3.175 186 2HB LYS 27 1HB LYS 27 -6.760 1.606 -3.079 187 1HG LYS 27 2HG LYS 27 -7.085 2.972 -5.156 188 2HG LYS 27 1HG LYS 27 -8.805 2.588 -5.089 189 1HD LYS 27 2HD LYS 27 -7.411 4.650 -3.694 190 2HD LYS 27 1HD LYS 27 -9.127 4.252 -3.613 191 1HE LYS 27 2HE LYS 27 -8.607 2.504 -1.897 192 2HE LYS 27 1HE LYS 27 -6.916 3.039 -1.918 193 1HZ LYS 27 1HZ LYS 27 -8.584 5.293 -1.779 194 2HZ LYS 27 2HZ LYS 27 -7.451 4.752 -0.635 195 H ARG 28 H ARG 28 -8.144 1.655 -6.728 196 HA ARG 28 HA ARG 28 -5.638 1.578 -8.303 197 1HB ARG 28 2HB ARG 28 -8.168 1.249 -9.016 198 2HB ARG 28 1HB ARG 28 -8.155 3.012 -9.092 199 1HG ARG 28 2HG ARG 28 -7.213 2.853 -11.131 200 2HG ARG 28 1HG ARG 28 -5.777 2.186 -10.357 201 1HD ARG 28 2HD ARG 28 -6.195 0.140 -11.237 202 2HD ARG 28 1HD ARG 28 -7.847 0.156 -10.587 203 HE ARG 28 HE ARG 28 -8.618 1.064 -12.651 204 1HH1 ARG 28 1HH1 ARG 28 -5.181 1.025 -12.384 205 1HH2 ARG 28 1HH2 ARG 28 -8.289 1.606 -14.821 206 2HH2 ARG 28 2HH2 ARG 28 -6.672 1.769 -15.424 207 H LYS 29 H LYS 29 -4.340 3.383 -8.635 208 HA LYS 29 HA LYS 29 -4.505 5.615 -6.831 209 1HB LYS 29 2HB LYS 29 -2.678 4.434 -8.554 210 2HB LYS 29 1HB LYS 29 -2.959 6.022 -9.268 211 1HG LYS 29 2HG LYS 29 -2.723 6.227 -6.387 212 2HG LYS 29 1HG LYS 29 -1.302 5.436 -7.073 213 1HD LYS 29 2HD LYS 29 -0.718 7.690 -7.258 214 2HD LYS 29 1HD LYS 29 -1.422 7.373 -8.844 215 1HE LYS 29 2HE LYS 29 -3.196 8.755 -8.456 216 2HE LYS 29 1HE LYS 29 -3.391 8.176 -6.788 217 1HZ LYS 29 1HZ LYS 29 -1.101 9.855 -7.640 218 2HZ LYS 29 2HZ LYS 29 -1.604 9.499 -6.056 219 H LYS 30 H LYS 30 -5.503 5.148 -10.201 220 HA LYS 30 HA LYS 30 -6.014 7.834 -10.936 221 1HB LYS 30 2HB LYS 30 -7.574 5.325 -11.635 222 2HB LYS 30 1HB LYS 30 -7.485 6.800 -12.599 223 1HG LYS 30 2HG LYS 30 -5.191 4.930 -11.940 224 2HG LYS 30 1HG LYS 30 -5.930 5.174 -13.524 225 1HD LYS 30 2HD LYS 30 -5.222 7.745 -12.598 226 2HD LYS 30 1HD LYS 30 -3.840 6.707 -12.249 227 1HE LYS 30 2HE LYS 30 -4.416 7.839 -14.728 228 2HE LYS 30 1HE LYS 30 -3.338 6.454 -14.463 229 1HZ LYS 30 1HZ LYS 30 -4.957 5.657 -15.932 230 2HZ LYS 30 2HZ LYS 30 -6.226 6.432 -15.112 231 H ASP 31 H ASP 31 -8.429 5.462 -9.738 232 HA ASP 31 HA ASP 31 -10.022 7.780 -8.690 233 1HB ASP 31 2HB ASP 31 -10.701 5.964 -10.593 234 2HB ASP 31 1HB ASP 31 -11.274 5.126 -9.150 235 H ASP 32 H ASP 32 -7.904 5.632 -7.557 236 HA ASP 32 HA ASP 32 -7.674 4.377 -5.550 237 1HB ASP 32 2HB ASP 32 -8.784 7.068 -5.142 238 2HB ASP 32 1HB ASP 32 -9.068 5.985 -3.780 239 H TRP 33 H TRP 33 -9.395 2.850 -6.738 240 HA TRP 33 HA TRP 33 -12.060 2.845 -5.481 241 1HB TRP 33 2HB TRP 33 -10.988 0.580 -7.109 242 2HB TRP 33 1HB TRP 33 -12.561 1.373 -7.193 243 HD1 TRP 33 HD TRP 33 -8.869 2.319 -7.895 244 HE1 TRP 33 1HE TRP 33 -8.818 3.826 -9.985 245 HE3 TRP 33 3HE TRP 33 -13.870 2.630 -8.880 246 HZ2 TRP 33 2HZ TRP 33 -10.655 5.009 -11.831 247 HZ3 TRP 33 3HZ TRP 33 -14.691 3.952 -10.810 248 HH2 TRP 33 HH TRP 33 -13.091 5.140 -12.285 249 H VAL 34 H VAL 34 -12.830 0.944 -4.261 250 HA VAL 34 HA VAL 34 -10.618 -0.490 -2.824 251 HB VAL 34 HB VAL 34 -12.485 1.344 -1.874 252 1HG1 VAL 34 1HG1 VAL 34 -13.371 -1.066 -0.460 253 2HG1 VAL 34 2HG1 VAL 34 -13.882 -1.034 -2.148 254 3HG1 VAL 34 3HG1 VAL 34 -14.320 0.291 -1.069 255 1HG2 VAL 34 1HG2 VAL 34 -11.347 1.042 0.102 256 2HG2 VAL 34 2HG2 VAL 34 -10.258 0.137 -0.949 257 3HG2 VAL 34 3HG2 VAL 34 -11.460 -0.716 0.019 258 H ASN 35 H ASN 35 -11.001 -2.717 -2.372 259 HA ASN 35 HA ASN 35 -12.607 -4.183 -4.240 260 1HB ASN 35 2HB ASN 35 -12.012 -6.070 -2.613 261 2HB ASN 35 1HB ASN 35 -10.648 -5.155 -3.258 262 1HD2 ASN 35 1HD2 ASN 35 -11.709 -6.443 -0.415 263 2HD2 ASN 35 2HD2 ASN 35 -11.033 -5.337 0.681 264 H ALA 36 H ALA 36 -14.827 -3.718 -4.141 265 HA ALA 36 HA ALA 36 -16.518 -3.071 -2.094 266 1HB ALA 36 1HB ALA 36 -18.112 -3.701 -3.601 267 2HB ALA 36 2HB ALA 36 -17.486 -5.346 -3.710 268 3HB ALA 36 3HB ALA 36 -16.739 -4.055 -4.650 269 H THR 37 H THR 37 -14.829 -6.133 -2.430 270 HA THR 37 HA THR 37 -16.411 -7.765 -0.708 271 HB THR 37 HB THR 37 -13.392 -7.761 -0.976 272 HG1 THR 37 1HG THR 37 -14.948 -9.274 -2.684 273 1HG2 THR 37 1HG2 THR 37 -13.581 -10.122 -0.599 274 2HG2 THR 37 2HG2 THR 37 -15.336 -10.068 -0.762 275 3HG2 THR 37 3HG2 THR 37 -14.560 -9.334 0.640 276 H HIS 38 H HIS 38 -13.592 -5.686 0.030 277 HA HIS 38 HA HIS 38 -13.582 -6.139 2.862 278 1HB HIS 38 2HB HIS 38 -11.696 -4.955 2.442 279 2HB HIS 38 1HB HIS 38 -12.314 -4.469 0.864 280 HD1 HIS 38 1HD HIS 38 -12.084 -1.981 0.783 281 HD2 HIS 38 2HD HIS 38 -13.593 -3.271 4.449 282 HE1 HIS 38 1HE HIS 38 -12.652 0.107 2.099 283 H ILE 39 H ILE 39 -15.444 -4.039 0.762 284 HA ILE 39 HA ILE 39 -16.636 -2.537 3.017 285 HB ILE 39 HB ILE 39 -16.573 -2.469 0.028 286 1HG1 ILE 39 2HG1 ILE 39 -16.675 0.098 1.178 287 2HG1 ILE 39 1HG1 ILE 39 -15.708 -0.873 2.289 288 1HG2 ILE 39 1HG2 ILE 39 -18.951 -2.418 0.356 289 2HG2 ILE 39 2HG2 ILE 39 -18.437 -0.750 0.103 290 3HG2 ILE 39 3HG2 ILE 39 -18.799 -1.326 1.731 291 1HD1 ILE 39 1HD1 ILE 39 -15.224 -0.975 -0.684 292 2HD1 ILE 39 2HD1 ILE 39 -14.131 -1.427 0.624 293 3HD1 ILE 39 3HD1 ILE 39 -14.482 0.274 0.315 294 H LEU 40 H LEU 40 -17.793 -4.607 0.333 295 HA LEU 40 HA LEU 40 -20.377 -5.031 1.715 296 1HB LEU 40 2HB LEU 40 -19.206 -5.277 -0.978 297 2HB LEU 40 1HB LEU 40 -20.336 -6.570 -0.573 298 HG LEU 40 HG LEU 40 -21.284 -3.921 0.252 299 1HD1 LEU 40 1HD1 LEU 40 -21.573 -2.925 -1.853 300 2HD1 LEU 40 2HD1 LEU 40 -21.282 -4.436 -2.714 301 3HD1 LEU 40 3HD1 LEU 40 -19.938 -3.577 -1.962 302 1HD2 LEU 40 1HD2 LEU 40 -22.292 -6.462 -0.493 303 2HD2 LEU 40 2HD2 LEU 40 -22.907 -5.316 -1.683 304 3HD2 LEU 40 3HD2 LEU 40 -23.218 -5.057 0.035 305 H LYS 41 H LYS 41 -17.686 -7.034 0.443 306 HA LYS 41 HA LYS 41 -18.647 -9.522 1.519 307 1HB LYS 41 2HB LYS 41 -16.004 -8.421 0.561 308 2HB LYS 41 1HB LYS 41 -16.125 -10.068 1.179 309 1HG LYS 41 2HG LYS 41 -16.505 -9.508 -1.411 310 2HG LYS 41 1HG LYS 41 -17.401 -10.791 -0.598 311 1HD LYS 41 2HD LYS 41 -19.360 -9.578 -0.540 312 2HD LYS 41 1HD LYS 41 -18.521 -8.028 -0.454 313 1HE LYS 41 2HE LYS 41 -17.725 -8.758 -2.912 314 2HE LYS 41 1HE LYS 41 -19.263 -9.644 -2.853 315 1HZ LYS 41 1HZ LYS 41 -20.392 -7.649 -2.184 316 2HZ LYS 41 2HZ LYS 41 -18.933 -6.783 -2.120 317 H ALA 42 H ALA 42 -16.856 -6.851 2.886 318 HA ALA 42 HA ALA 42 -15.745 -8.254 5.164 319 1HB ALA 42 1HB ALA 42 -16.453 -5.332 4.733 320 2HB ALA 42 2HB ALA 42 -14.937 -6.090 4.245 321 3HB ALA 42 3HB ALA 42 -15.342 -5.951 5.955 322 H ALA 43 H ALA 43 -18.870 -6.905 4.402 323 HA ALA 43 HA ALA 43 -19.767 -7.446 7.217 324 1HB ALA 43 1HB ALA 43 -21.449 -5.662 5.640 325 2HB ALA 43 2HB ALA 43 -19.783 -5.086 5.707 326 3HB ALA 43 3HB ALA 43 -20.678 -5.373 7.199 327 H ASN 44 H ASN 44 -19.934 -8.591 4.084 328 HA ASN 44 HA ASN 44 -22.545 -9.932 4.653 329 1HB ASN 44 2HB ASN 44 -23.485 -9.158 2.688 330 2HB ASN 44 1HB ASN 44 -22.405 -7.803 3.024 331 1HD2 ASN 44 1HD2 ASN 44 -21.557 -7.200 1.013 332 2HD2 ASN 44 2HD2 ASN 44 -20.871 -8.277 -0.106 333 H PHE 45 H PHE 45 -19.416 -10.495 4.321 334 HA PHE 45 HA PHE 45 -18.121 -12.308 3.525 335 1HB PHE 45 2HB PHE 45 -20.280 -13.229 4.791 336 2HB PHE 45 1HB PHE 45 -20.681 -13.826 3.181 337 HD1 PHE 45 1HD PHE 45 -19.971 -15.983 2.690 338 HD2 PHE 45 2HD PHE 45 -17.634 -13.572 5.368 339 HE1 PHE 45 1HE PHE 45 -18.377 -17.858 2.986 340 HE2 PHE 45 2HE PHE 45 -16.039 -15.449 5.664 341 HZ PHE 45 HZ PHE 45 -16.410 -17.592 4.474 342 H ALA 46 H ALA 46 -17.479 -13.276 1.525 343 HA ALA 46 HA ALA 46 -18.827 -12.155 -0.862 344 1HB ALA 46 1HB ALA 46 -16.248 -12.386 -0.162 345 2HB ALA 46 2HB ALA 46 -16.752 -12.444 -1.852 346 3HB ALA 46 3HB ALA 46 -16.430 -13.941 -0.977 347 H LYS 47 H LYS 47 -20.711 -13.449 -1.003 348 HA LYS 47 HA LYS 47 -20.227 -16.264 -1.893 349 1HB LYS 47 2HB LYS 47 -21.959 -15.138 0.265 350 2HB LYS 47 1HB LYS 47 -22.632 -16.460 -0.690 351 1HG LYS 47 2HG LYS 47 -20.656 -17.842 -0.195 352 2HG LYS 47 1HG LYS 47 -19.960 -16.520 0.744 353 1HD LYS 47 2HD LYS 47 -21.778 -16.618 2.344 354 2HD LYS 47 1HD LYS 47 -22.635 -17.804 1.359 355 1HE LYS 47 2HE LYS 47 -19.922 -18.700 1.915 356 2HE LYS 47 1HE LYS 47 -20.819 -18.385 3.414 357 1HZ LYS 47 1HZ LYS 47 -22.264 -20.022 2.990 358 2HZ LYS 47 2HZ LYS 47 -22.394 -19.622 1.345 359 H ALA 48 H ALA 48 -22.845 -16.866 -2.642 360 HA ALA 48 HA ALA 48 -23.171 -15.611 -5.145 361 1HB ALA 48 1HB ALA 48 -25.319 -16.688 -5.135 362 2HB ALA 48 2HB ALA 48 -25.433 -16.593 -3.378 363 3HB ALA 48 3HB ALA 48 -24.286 -17.702 -4.129 364 H LYS 49 H LYS 49 -24.011 -14.547 -1.942 365 HA LYS 49 HA LYS 49 -25.896 -12.475 -2.647 366 1HB LYS 49 2HB LYS 49 -24.376 -13.469 -0.340 367 2HB LYS 49 1HB LYS 49 -24.585 -11.718 -0.314 368 1HG LYS 49 2HG LYS 49 -26.487 -12.678 0.812 369 2HG LYS 49 1HG LYS 49 -27.046 -12.098 -0.758 370 1HD LYS 49 2HD LYS 49 -26.176 -14.956 -0.265 371 2HD LYS 49 1HD LYS 49 -27.852 -14.420 -0.139 372 1HE LYS 49 2HE LYS 49 -27.660 -13.542 -2.511 373 2HE LYS 49 1HE LYS 49 -26.087 -14.359 -2.608 374 1HZ LYS 49 1HZ LYS 49 -27.243 -16.401 -1.808 375 2HZ LYS 49 2HZ LYS 49 -28.722 -15.593 -2.020 376 H ARG 50 H ARG 50 -22.385 -12.405 -1.868 377 HA ARG 50 HA ARG 50 -21.971 -9.639 -2.422 378 1HB ARG 50 2HB ARG 50 -19.950 -10.299 -1.655 379 2HB ARG 50 1HB ARG 50 -20.504 -11.973 -1.716 380 1HG ARG 50 2HG ARG 50 -19.791 -10.876 -4.349 381 2HG ARG 50 1HG ARG 50 -18.436 -10.945 -3.220 382 1HD ARG 50 2HD ARG 50 -18.508 -13.266 -3.063 383 2HD ARG 50 1HD ARG 50 -20.239 -13.339 -3.452 384 HE ARG 50 HE ARG 50 -19.642 -12.768 -5.799 385 1HH1 ARG 50 1HH1 ARG 50 -17.140 -13.679 -3.609 386 1HH2 ARG 50 1HH2 ARG 50 -18.204 -13.349 -7.442 387 2HH2 ARG 50 2HH2 ARG 50 -16.630 -13.941 -7.029 388 H THR 51 H THR 51 -22.239 -12.435 -4.536 389 HA THR 51 HA THR 51 -21.034 -11.285 -6.885 390 HB THR 51 HB THR 51 -22.948 -13.510 -6.225 391 HG1 THR 51 1HG THR 51 -21.120 -14.504 -6.274 392 1HG2 THR 51 1HG2 THR 51 -23.920 -13.254 -8.258 393 2HG2 THR 51 2HG2 THR 51 -22.404 -13.899 -8.889 394 3HG2 THR 51 3HG2 THR 51 -22.661 -12.155 -8.821 395 H ARG 52 H ARG 52 -24.311 -11.240 -5.533 396 HA ARG 52 HA ARG 52 -25.307 -9.630 -7.828 397 1HB ARG 52 2HB ARG 52 -26.346 -11.504 -5.931 398 2HB ARG 52 1HB ARG 52 -27.197 -9.976 -5.698 399 1HG ARG 52 2HG ARG 52 -28.487 -10.690 -7.431 400 2HG ARG 52 1HG ARG 52 -27.141 -10.137 -8.428 401 1HD ARG 52 2HD ARG 52 -26.185 -12.565 -7.907 402 2HD ARG 52 1HD ARG 52 -27.905 -12.934 -7.669 403 HE ARG 52 HE ARG 52 -27.402 -11.360 -10.076 404 1HH1 ARG 52 1HH1 ARG 52 -27.511 -14.494 -8.643 405 1HH2 ARG 52 1HH2 ARG 52 -27.813 -12.410 -12.035 406 2HH2 ARG 52 2HH2 ARG 52 -27.998 -14.133 -12.056 407 H ILE 53 H ILE 53 -25.567 -9.375 -4.265 408 HA ILE 53 HA ILE 53 -26.261 -6.695 -4.018 409 HB ILE 53 HB ILE 53 -25.284 -6.870 -1.802 410 1HG1 ILE 53 2HG1 ILE 53 -23.648 -9.109 -3.032 411 2HG1 ILE 53 1HG1 ILE 53 -23.040 -7.582 -2.392 412 1HG2 ILE 53 1HG2 ILE 53 -26.966 -8.328 -1.436 413 2HG2 ILE 53 2HG2 ILE 53 -25.793 -9.623 -1.681 414 3HG2 ILE 53 3HG2 ILE 53 -26.767 -9.047 -3.034 415 1HD1 ILE 53 1HD1 ILE 53 -23.446 -8.199 -0.170 416 2HD1 ILE 53 2HD1 ILE 53 -22.921 -9.723 -0.889 417 3HD1 ILE 53 3HD1 ILE 53 -24.638 -9.417 -0.625 418 H LEU 54 H LEU 54 -22.953 -8.013 -4.392 419 HA LEU 54 HA LEU 54 -21.628 -5.438 -4.327 420 1HB LEU 54 2HB LEU 54 -20.720 -7.837 -3.990 421 2HB LEU 54 1HB LEU 54 -20.696 -7.941 -5.751 422 HG LEU 54 HG LEU 54 -19.448 -5.551 -4.449 423 1HD1 LEU 54 1HD1 LEU 54 -18.593 -8.334 -4.082 424 2HD1 LEU 54 2HD1 LEU 54 -18.070 -6.878 -3.235 425 3HD1 LEU 54 3HD1 LEU 54 -17.340 -7.309 -4.782 426 1HD2 LEU 54 1HD2 LEU 54 -17.919 -6.726 -6.544 427 2HD2 LEU 54 2HD2 LEU 54 -18.854 -5.232 -6.600 428 3HD2 LEU 54 3HD2 LEU 54 -19.608 -6.761 -7.050 429 H GLU 55 H GLU 55 -22.249 -7.666 -7.048 430 HA GLU 55 HA GLU 55 -21.564 -5.922 -9.165 431 1HB GLU 55 2HB GLU 55 -22.604 -8.488 -8.788 432 2HB GLU 55 1HB GLU 55 -23.844 -7.659 -9.728 433 1HG GLU 55 2HG GLU 55 -21.941 -8.828 -11.034 434 2HG GLU 55 1HG GLU 55 -22.352 -7.175 -11.495 435 H LYS 56 H LYS 56 -24.748 -6.427 -7.612 436 HA LYS 56 HA LYS 56 -26.123 -4.476 -9.258 437 1HB LYS 56 2HB LYS 56 -27.588 -5.981 -8.316 438 2HB LYS 56 1HB LYS 56 -26.616 -6.164 -6.856 439 1HG LYS 56 2HG LYS 56 -27.335 -3.645 -6.455 440 2HG LYS 56 1HG LYS 56 -28.673 -4.089 -7.515 441 1HD LYS 56 2HD LYS 56 -28.237 -6.182 -5.579 442 2HD LYS 56 1HD LYS 56 -28.426 -4.635 -4.751 443 1HE LYS 56 2HE LYS 56 -30.347 -4.905 -6.929 444 2HE LYS 56 1HE LYS 56 -30.511 -6.212 -5.740 445 1HZ LYS 56 1HZ LYS 56 -30.248 -3.337 -5.036 446 2HZ LYS 56 2HZ LYS 56 -31.730 -4.162 -5.114 447 H GLU 57 H GLU 57 -24.349 -4.360 -6.214 448 HA GLU 57 HA GLU 57 -25.230 -1.596 -5.639 449 1HB GLU 57 2HB GLU 57 -24.998 -2.865 -3.697 450 2HB GLU 57 1HB GLU 57 -23.614 -3.759 -4.328 451 1HG GLU 57 2HG GLU 57 -23.506 -1.589 -2.577 452 2HG GLU 57 1HG GLU 57 -22.151 -2.261 -3.484 453 H VAL 58 H VAL 58 -22.206 -3.316 -6.480 454 HA VAL 58 HA VAL 58 -20.803 -0.733 -6.850 455 HB VAL 58 HB VAL 58 -19.126 -2.044 -6.107 456 1HG1 VAL 58 1HG1 VAL 58 -21.287 -3.535 -5.503 457 2HG1 VAL 58 2HG1 VAL 58 -19.643 -4.067 -5.155 458 3HG1 VAL 58 3HG1 VAL 58 -20.472 -4.651 -6.597 459 1HG2 VAL 58 1HG2 VAL 58 -17.982 -2.818 -7.886 460 2HG2 VAL 58 2HG2 VAL 58 -19.456 -2.760 -8.853 461 3HG2 VAL 58 3HG2 VAL 58 -19.044 -4.224 -7.961 462 H LEU 59 H LEU 59 -21.581 -3.659 -8.777 463 HA LEU 59 HA LEU 59 -20.539 -3.192 -11.240 464 1HB LEU 59 2HB LEU 59 -22.350 -4.855 -10.414 465 2HB LEU 59 1HB LEU 59 -23.513 -3.634 -10.935 466 HG LEU 59 HG LEU 59 -21.445 -5.042 -12.642 467 1HD1 LEU 59 1HD1 LEU 59 -23.782 -5.318 -13.933 468 2HD1 LEU 59 2HD1 LEU 59 -24.404 -5.155 -12.290 469 3HD1 LEU 59 3HD1 LEU 59 -23.270 -6.447 -12.678 470 1HD2 LEU 59 1HD2 LEU 59 -21.373 -2.917 -13.577 471 2HD2 LEU 59 2HD2 LEU 59 -23.011 -2.520 -13.056 472 3HD2 LEU 59 3HD2 LEU 59 -22.758 -3.589 -14.437 473 H LYS 60 H LYS 60 -23.407 -1.464 -9.979 474 HA LYS 60 HA LYS 60 -23.366 0.389 -12.289 475 1HB LYS 60 2HB LYS 60 -25.526 0.920 -11.577 476 2HB LYS 60 1HB LYS 60 -25.375 -0.727 -10.966 477 1HG LYS 60 2HG LYS 60 -25.083 -0.031 -8.765 478 2HG LYS 60 1HG LYS 60 -24.474 1.555 -9.240 479 1HD LYS 60 2HD LYS 60 -26.540 2.415 -9.041 480 2HD LYS 60 1HD LYS 60 -27.125 1.293 -10.268 481 1HE LYS 60 2HE LYS 60 -28.409 0.454 -8.567 482 2HE LYS 60 1HE LYS 60 -26.909 -0.345 -8.054 483 1HZ LYS 60 1HZ LYS 60 -28.171 1.297 -6.456 484 2HZ LYS 60 2HZ LYS 60 -26.473 1.242 -6.494 485 H GLU 61 H GLU 61 -22.501 0.295 -8.884 486 HA GLU 61 HA GLU 61 -22.050 3.215 -8.758 487 1HB GLU 61 2HB GLU 61 -22.221 0.882 -6.940 488 2HB GLU 61 1HB GLU 61 -21.094 2.142 -6.435 489 1HG GLU 61 2HG GLU 61 -24.064 2.266 -6.747 490 2HG GLU 61 1HG GLU 61 -23.035 2.982 -5.506 491 H THR 62 H THR 62 -20.346 3.129 -10.498 492 HA THR 62 HA THR 62 -18.104 2.711 -11.255 493 HB THR 62 HB THR 62 -17.503 3.797 -8.511 494 HG1 THR 62 1HG THR 62 -19.064 4.926 -10.557 495 1HG2 THR 62 1HG2 THR 62 -16.321 5.430 -10.314 496 2HG2 THR 62 2HG2 THR 62 -16.382 3.938 -11.253 497 3HG2 THR 62 3HG2 THR 62 -15.556 3.966 -9.696 498 H HIS 63 H HIS 63 -18.614 0.230 -10.761 499 HA HIS 63 HA HIS 63 -17.323 -0.913 -8.407 500 1HB HIS 63 2HB HIS 63 -18.063 -2.972 -9.364 501 2HB HIS 63 1HB HIS 63 -19.292 -1.790 -9.816 502 HD1 HIS 63 1HD HIS 63 -17.527 -0.432 -12.096 503 HD2 HIS 63 2HD HIS 63 -18.303 -4.512 -11.726 504 HE1 HIS 63 1HE HIS 63 -17.213 -1.433 -14.402 505 H GLU 64 H GLU 64 -15.542 -2.615 -8.764 506 HA GLU 64 HA GLU 64 -13.687 -1.882 -10.987 507 1HB GLU 64 2HB GLU 64 -13.002 -2.034 -8.032 508 2HB GLU 64 1HB GLU 64 -11.867 -1.677 -9.334 509 1HG GLU 64 2HG GLU 64 -14.215 -0.005 -8.415 510 2HG GLU 64 1HG GLU 64 -12.507 0.440 -8.421 511 H LYS 65 H LYS 65 -12.935 -3.726 -11.930 512 HA LYS 65 HA LYS 65 -13.060 -6.281 -10.360 513 1HB LYS 65 2HB LYS 65 -14.214 -5.500 -12.785 514 2HB LYS 65 1HB LYS 65 -12.838 -6.495 -13.264 515 1HG LYS 65 2HG LYS 65 -13.628 -8.238 -11.622 516 2HG LYS 65 1HG LYS 65 -15.083 -7.271 -11.384 517 1HD LYS 65 2HD LYS 65 -15.890 -7.706 -13.510 518 2HD LYS 65 1HD LYS 65 -14.279 -7.953 -14.184 519 1HE LYS 65 2HE LYS 65 -15.773 -10.058 -13.855 520 2HE LYS 65 1HE LYS 65 -14.108 -10.144 -13.244 521 1HZ LYS 65 1HZ LYS 65 -15.649 -8.884 -11.299 522 2HZ LYS 65 2HZ LYS 65 -16.515 -10.266 -11.778 523 H VAL 66 H VAL 66 -10.875 -6.215 -9.523 524 HA VAL 66 HA VAL 66 -8.650 -5.749 -11.402 525 HB VAL 66 HB VAL 66 -7.490 -6.428 -9.084 526 1HG1 VAL 66 1HG1 VAL 66 -8.788 -3.918 -10.039 527 2HG1 VAL 66 2HG1 VAL 66 -7.087 -4.248 -9.713 528 3HG1 VAL 66 3HG1 VAL 66 -8.199 -3.943 -8.378 529 1HG2 VAL 66 1HG2 VAL 66 -9.781 -7.142 -8.209 530 2HG2 VAL 66 2HG2 VAL 66 -10.211 -5.431 -8.205 531 3HG2 VAL 66 3HG2 VAL 66 -8.894 -6.013 -7.185 532 H GLN 67 H GLN 67 -8.103 -7.467 -12.700 533 HA GLN 67 HA GLN 67 -7.718 -10.127 -11.402 534 1HB GLN 67 2HB GLN 67 -8.763 -10.700 -13.914 535 2HB GLN 67 1HB GLN 67 -9.657 -10.772 -12.394 536 1HG GLN 67 2HG GLN 67 -9.361 -8.140 -13.810 537 2HG GLN 67 1HG GLN 67 -10.574 -9.294 -14.364 538 1HE2 GLN 67 1HE2 GLN 67 -10.032 -9.733 -11.043 539 2HE2 GLN 67 2HE2 GLN 67 -11.333 -8.814 -10.457 540 H GLY 68 H GLY 68 -6.352 -11.565 -12.809 541 1HA GLY 68 2HA GLY 68 -4.688 -11.936 -14.470 542 2HA GLY 68 1HA GLY 68 -4.898 -10.271 -15.014 543 H GLY 69 H GLY 69 -4.515 -10.684 -11.620 544 1HA GLY 69 2HA GLY 69 -2.506 -10.599 -10.293 545 2HA GLY 69 1HA GLY 69 -1.584 -10.260 -11.759 546 H PHE 70 H PHE 70 -4.034 -8.282 -12.239 547 HA PHE 70 HA PHE 70 -2.683 -6.003 -10.858 548 1HB PHE 70 2HB PHE 70 -3.063 -4.907 -12.811 549 2HB PHE 70 1HB PHE 70 -3.479 -6.486 -13.479 550 HD1 PHE 70 1HD PHE 70 -5.090 -3.884 -11.293 551 HD2 PHE 70 2HD PHE 70 -5.520 -6.619 -14.577 552 HE1 PHE 70 1HE PHE 70 -7.433 -3.136 -11.609 553 HE2 PHE 70 2HE PHE 70 -7.864 -5.871 -14.893 554 HZ PHE 70 HZ PHE 70 -8.820 -4.130 -13.408 555 H GLY 71 H GLY 71 -3.775 -6.269 -8.790 556 1HA GLY 71 2HA GLY 71 -5.497 -5.313 -7.412 557 2HA GLY 71 1HA GLY 71 -6.543 -5.218 -8.830 558 H LYS 72 H LYS 72 -4.798 -8.169 -8.194 559 HA LYS 72 HA LYS 72 -7.250 -9.715 -8.119 560 1HB LYS 72 2HB LYS 72 -5.610 -11.105 -8.853 561 2HB LYS 72 1HB LYS 72 -4.346 -10.086 -8.163 562 1HG LYS 72 2HG LYS 72 -6.051 -12.032 -6.580 563 2HG LYS 72 1HG LYS 72 -4.402 -12.349 -7.122 564 1HD LYS 72 2HD LYS 72 -5.341 -10.279 -5.128 565 2HD LYS 72 1HD LYS 72 -4.172 -11.577 -4.883 566 1HE LYS 72 2HE LYS 72 -3.782 -9.181 -6.715 567 2HE LYS 72 1HE LYS 72 -2.986 -9.435 -5.150 568 1HZ LYS 72 1HZ LYS 72 -1.486 -10.322 -6.677 569 2HZ LYS 72 2HZ LYS 72 -2.329 -11.689 -6.123 570 H TYR 73 H TYR 73 -5.472 -7.981 -5.767 571 HA TYR 73 HA TYR 73 -6.233 -9.628 -3.463 572 1HB TYR 73 2HB TYR 73 -4.771 -7.105 -4.070 573 2HB TYR 73 1HB TYR 73 -5.495 -7.214 -2.464 574 HD1 TYR 73 1HD TYR 73 -5.308 -10.132 -1.950 575 HD2 TYR 73 2HD TYR 73 -2.460 -7.417 -3.673 576 HE1 TYR 73 1HE TYR 73 -3.455 -11.607 -1.213 577 HE2 TYR 73 2HE TYR 73 -0.607 -8.892 -2.935 578 HH TYR 73 HH TYR 73 -0.784 -11.066 -0.666 579 H GLN 74 H GLN 74 -7.560 -7.002 -5.344 580 HA GLN 74 HA GLN 74 -9.608 -6.366 -3.289 581 1HB GLN 74 2HB GLN 74 -9.300 -5.257 -6.089 582 2HB GLN 74 1HB GLN 74 -10.051 -4.483 -4.693 583 1HG GLN 74 2HG GLN 74 -7.658 -3.733 -5.338 584 2HG GLN 74 1HG GLN 74 -7.973 -4.095 -3.640 585 1HE2 GLN 74 1HE2 GLN 74 -6.587 -5.504 -6.627 586 2HE2 GLN 74 2HE2 GLN 74 -5.592 -6.622 -5.826 587 H GLY 75 H GLY 75 -9.429 -7.564 -6.663 588 1HA GLY 75 2HA GLY 75 -10.895 -9.023 -7.796 589 2HA GLY 75 1HA GLY 75 -11.713 -9.312 -6.259 590 H THR 76 H THR 76 -12.940 -7.247 -5.458 591 HA THR 76 HA THR 76 -14.336 -5.987 -7.798 592 HB THR 76 HB THR 76 -16.255 -6.099 -5.900 593 HG1 THR 76 1HG THR 76 -14.514 -7.263 -4.631 594 1HG2 THR 76 1HG2 THR 76 -15.534 -7.584 -8.240 595 2HG2 THR 76 2HG2 THR 76 -17.142 -7.294 -7.580 596 3HG2 THR 76 3HG2 THR 76 -16.214 -8.699 -7.055 597 H TRP 77 H TRP 77 -12.394 -4.437 -7.001 598 HA TRP 77 HA TRP 77 -12.891 -2.898 -4.585 599 1HB TRP 77 2HB TRP 77 -11.110 -1.431 -5.692 600 2HB TRP 77 1HB TRP 77 -10.653 -3.109 -5.400 601 HD1 TRP 77 HD TRP 77 -12.829 -3.709 -8.040 602 HE1 TRP 77 1HE TRP 77 -11.711 -3.626 -10.362 603 HE3 TRP 77 3HE TRP 77 -8.539 -1.204 -6.862 604 HZ2 TRP 77 2HZ TRP 77 -9.313 -2.628 -11.560 605 HZ3 TRP 77 3HZ TRP 77 -6.858 -0.700 -8.611 606 HH2 TRP 77 HH TRP 77 -7.238 -1.408 -10.957 607 H VAL 78 H VAL 78 -13.334 -0.545 -4.638 608 HA VAL 78 HA VAL 78 -14.887 0.397 -7.007 609 HB VAL 78 HB VAL 78 -16.341 1.267 -4.808 610 1HG1 VAL 78 1HG1 VAL 78 -17.835 -0.775 -5.495 611 2HG1 VAL 78 2HG1 VAL 78 -16.621 -1.012 -6.751 612 3HG1 VAL 78 3HG1 VAL 78 -17.528 0.499 -6.675 613 1HG2 VAL 78 1HG2 VAL 78 -16.529 -0.458 -3.232 614 2HG2 VAL 78 2HG2 VAL 78 -14.798 -0.454 -3.568 615 3HG2 VAL 78 3HG2 VAL 78 -15.839 -1.660 -4.322 616 HA PRO 79 HA PRO 79 -13.055 4.314 -6.321 617 1HB PRO 79 2HB PRO 79 -15.316 5.958 -5.953 618 2HB PRO 79 1HB PRO 79 -14.550 5.573 -7.504 619 1HG PRO 79 2HG PRO 79 -16.982 4.442 -6.271 620 2HG PRO 79 1HG PRO 79 -16.558 4.629 -7.979 621 1HD PRO 79 2HD PRO 79 -16.525 2.237 -6.699 622 2HD PRO 79 1HD PRO 79 -15.446 2.624 -8.058 623 H LEU 80 H LEU 80 -12.037 4.462 -4.325 624 HA LEU 80 HA LEU 80 -13.079 3.943 -1.792 625 1HB LEU 80 2HB LEU 80 -11.117 5.035 -1.014 626 2HB LEU 80 1HB LEU 80 -10.694 4.476 -2.633 627 HG LEU 80 HG LEU 80 -9.959 6.747 -2.518 628 1HD1 LEU 80 1HD1 LEU 80 -12.161 7.772 -3.880 629 2HD1 LEU 80 2HD1 LEU 80 -12.275 6.034 -4.150 630 3HD1 LEU 80 3HD1 LEU 80 -10.809 6.903 -4.606 631 1HD2 LEU 80 1HD2 LEU 80 -11.090 7.555 -0.576 632 2HD2 LEU 80 2HD2 LEU 80 -12.677 7.239 -1.281 633 3HD2 LEU 80 3HD2 LEU 80 -11.678 8.551 -1.909 634 H ASN 81 H ASN 81 -13.386 6.909 -3.707 635 HA ASN 81 HA ASN 81 -14.313 8.675 -1.669 636 1HB ASN 81 2HB ASN 81 -13.631 9.096 -4.114 637 2HB ASN 81 1HB ASN 81 -15.261 8.577 -4.542 638 1HD2 ASN 81 1HD2 ASN 81 -17.029 9.768 -3.063 639 2HD2 ASN 81 2HD2 ASN 81 -16.792 11.439 -2.878 640 H ILE 82 H ILE 82 -15.882 6.097 -3.449 641 HA ILE 82 HA ILE 82 -18.470 6.715 -2.064 642 HB ILE 82 HB ILE 82 -17.754 6.193 -4.772 643 1HG1 ILE 82 2HG1 ILE 82 -20.595 5.984 -4.271 644 2HG1 ILE 82 1HG1 ILE 82 -19.896 7.240 -3.249 645 1HG2 ILE 82 1HG2 ILE 82 -17.897 3.776 -4.040 646 2HG2 ILE 82 2HG2 ILE 82 -19.034 4.219 -5.314 647 3HG2 ILE 82 3HG2 ILE 82 -19.593 4.061 -3.649 648 1HD1 ILE 82 1HD1 ILE 82 -20.639 8.040 -5.532 649 2HD1 ILE 82 2HD1 ILE 82 -19.366 7.033 -6.223 650 3HD1 ILE 82 3HD1 ILE 82 -18.949 8.371 -5.154 651 H ALA 83 H ALA 83 -15.992 4.313 -2.727 652 HA ALA 83 HA ALA 83 -17.326 1.990 -1.716 653 1HB ALA 83 1HB ALA 83 -14.808 2.773 -2.748 654 2HB ALA 83 2HB ALA 83 -15.354 1.129 -2.415 655 3HB ALA 83 3HB ALA 83 -14.483 2.035 -1.179 656 H LYS 84 H LYS 84 -14.872 4.070 -0.081 657 HA LYS 84 HA LYS 84 -15.202 2.940 2.506 658 1HB LYS 84 2HB LYS 84 -13.423 4.322 2.686 659 2HB LYS 84 1HB LYS 84 -13.872 5.136 1.187 660 1HG LYS 84 2HG LYS 84 -15.314 6.664 2.343 661 2HG LYS 84 1HG LYS 84 -15.202 5.736 3.838 662 1HD LYS 84 2HD LYS 84 -13.149 6.590 4.374 663 2HD LYS 84 1HD LYS 84 -12.625 6.658 2.691 664 1HE LYS 84 2HE LYS 84 -13.628 8.804 4.297 665 2HE LYS 84 1HE LYS 84 -13.164 8.857 2.584 666 1HZ LYS 84 1HZ LYS 84 -15.548 9.398 3.007 667 2HZ LYS 84 2HZ LYS 84 -15.766 7.804 3.555 668 H GLN 85 H GLN 85 -17.007 5.468 0.811 669 HA GLN 85 HA GLN 85 -18.449 6.460 3.104 670 1HB GLN 85 2HB GLN 85 -18.441 7.858 1.227 671 2HB GLN 85 1HB GLN 85 -18.706 6.519 0.110 672 1HG GLN 85 2HG GLN 85 -20.968 6.445 1.704 673 2HG GLN 85 1HG GLN 85 -20.665 8.174 1.528 674 1HE2 GLN 85 1HE2 GLN 85 -19.670 8.398 -1.047 675 2HE2 GLN 85 2HE2 GLN 85 -20.806 7.830 -2.174 676 H LEU 86 H LEU 86 -18.837 3.696 0.992 677 HA LEU 86 HA LEU 86 -21.590 3.141 1.897 678 1HB LEU 86 2HB LEU 86 -20.391 2.709 -0.405 679 2HB LEU 86 1HB LEU 86 -19.815 1.249 0.398 680 HG LEU 86 HG LEU 86 -22.282 0.862 1.053 681 1HD1 LEU 86 1HD1 LEU 86 -23.125 3.081 0.488 682 2HD1 LEU 86 2HD1 LEU 86 -23.891 1.888 -0.561 683 3HD1 LEU 86 3HD1 LEU 86 -22.581 2.894 -1.179 684 1HD2 LEU 86 1HD2 LEU 86 -22.548 -0.498 -0.819 685 2HD2 LEU 86 2HD2 LEU 86 -20.813 -0.192 -0.879 686 3HD2 LEU 86 3HD2 LEU 86 -21.905 0.721 -1.920 687 H ALA 87 H ALA 87 -18.319 1.793 2.324 688 HA ALA 87 HA ALA 87 -19.285 -0.228 4.238 689 1HB ALA 87 1HB ALA 87 -17.090 0.165 2.497 690 2HB ALA 87 2HB ALA 87 -17.371 -1.218 3.555 691 3HB ALA 87 3HB ALA 87 -16.418 0.151 4.128 692 H GLU 88 H GLU 88 -16.819 2.389 4.422 693 HA GLU 88 HA GLU 88 -16.186 2.537 7.031 694 1HB GLU 88 2HB GLU 88 -15.532 4.623 6.444 695 2HB GLU 88 1HB GLU 88 -16.198 4.229 4.866 696 1HG GLU 88 2HG GLU 88 -18.213 5.361 5.289 697 2HG GLU 88 1HG GLU 88 -17.976 5.320 7.035 698 H LYS 89 H LYS 89 -19.431 2.988 5.789 699 HA LYS 89 HA LYS 89 -20.549 4.310 8.105 700 1HB LYS 89 2HB LYS 89 -21.349 3.850 5.588 701 2HB LYS 89 1HB LYS 89 -22.135 2.472 6.360 702 1HG LYS 89 2HG LYS 89 -23.755 3.817 7.146 703 2HG LYS 89 1HG LYS 89 -22.550 4.781 8.002 704 1HD LYS 89 2HD LYS 89 -22.142 6.104 5.968 705 2HD LYS 89 1HD LYS 89 -23.323 5.130 5.090 706 1HE LYS 89 2HE LYS 89 -24.242 6.385 7.642 707 2HE LYS 89 1HE LYS 89 -24.021 7.451 6.239 708 1HZ LYS 89 1HZ LYS 89 -26.066 5.563 6.690 709 2HZ LYS 89 2HZ LYS 89 -25.882 6.629 5.381 710 H PHE 90 H PHE 90 -22.064 1.336 7.223 711 HA PHE 90 HA PHE 90 -21.460 0.225 9.941 712 1HB PHE 90 2HB PHE 90 -23.624 -1.004 9.520 713 2HB PHE 90 1HB PHE 90 -23.799 0.752 9.532 714 HD1 PHE 90 1HD PHE 90 -24.677 1.884 7.661 715 HD2 PHE 90 2HD PHE 90 -23.289 -2.160 7.243 716 HE1 PHE 90 1HE PHE 90 -25.586 1.810 5.354 717 HE2 PHE 90 2HE PHE 90 -24.198 -2.233 4.936 718 HZ PHE 90 HZ PHE 90 -25.347 -0.249 3.992 719 H SER 91 H SER 91 -20.461 -0.114 6.815 720 HA SER 91 HA SER 91 -20.610 -2.966 6.410 721 1HB SER 91 2HB SER 91 -20.308 -1.222 4.656 722 2HB SER 91 1HB SER 91 -18.705 -0.881 5.303 723 HG SER 91 HG SER 91 -18.929 -3.504 4.951 724 H VAL 92 H VAL 92 -17.518 -1.231 6.585 725 HA VAL 92 HA VAL 92 -16.554 -3.309 8.522 726 HB VAL 92 HB VAL 92 -14.970 -1.804 6.420 727 1HG1 VAL 92 1HG1 VAL 92 -14.385 -3.793 8.497 728 2HG1 VAL 92 2HG1 VAL 92 -13.282 -2.747 7.603 729 3HG1 VAL 92 3HG1 VAL 92 -13.813 -4.274 6.899 730 1HG2 VAL 92 1HG2 VAL 92 -16.748 -4.175 6.226 731 2HG2 VAL 92 2HG2 VAL 92 -15.171 -4.332 5.453 732 3HG2 VAL 92 3HG2 VAL 92 -16.262 -3.030 4.977 733 H TYR 93 H TYR 93 -17.554 -0.262 8.541 734 HA TYR 93 HA TYR 93 -15.819 1.647 9.297 735 1HB TYR 93 2HB TYR 93 -17.679 2.468 10.294 736 2HB TYR 93 1HB TYR 93 -18.447 0.920 9.942 737 HD1 TYR 93 1HD TYR 93 -16.088 2.442 12.436 738 HD2 TYR 93 2HD TYR 93 -19.303 -0.315 11.722 739 HE1 TYR 93 1HE TYR 93 -16.196 1.939 14.862 740 HE2 TYR 93 2HE TYR 93 -19.411 -0.818 14.148 741 HH TYR 93 HH TYR 93 -18.781 0.356 16.296 742 H ASP 94 H ASP 94 -16.167 -1.426 10.966 743 HA ASP 94 HA ASP 94 -14.392 -0.580 13.185 744 1HB ASP 94 2HB ASP 94 -16.515 -2.336 12.881 745 2HB ASP 94 1HB ASP 94 -15.118 -3.414 12.915 746 H GLN 95 H GLN 95 -14.416 -3.306 10.852 747 HA GLN 95 HA GLN 95 -11.700 -4.066 11.222 748 1HB GLN 95 2HB GLN 95 -13.965 -4.704 9.595 749 2HB GLN 95 1HB GLN 95 -12.559 -4.558 8.540 750 1HG GLN 95 2HG GLN 95 -11.302 -6.089 10.044 751 2HG GLN 95 1HG GLN 95 -12.753 -6.280 11.029 752 1HE2 GLN 95 1HE2 GLN 95 -14.666 -6.339 8.835 753 2HE2 GLN 95 2HE2 GLN 95 -14.423 -7.789 7.987 754 H LEU 96 H LEU 96 -13.158 -1.563 9.200 755 HA LEU 96 HA LEU 96 -10.726 -1.092 7.643 756 1HB LEU 96 2HB LEU 96 -12.915 0.922 7.920 757 2HB LEU 96 1HB LEU 96 -12.096 0.353 6.465 758 HG LEU 96 HG LEU 96 -13.810 -1.562 8.011 759 1HD1 LEU 96 1HD1 LEU 96 -14.957 0.205 5.854 760 2HD1 LEU 96 2HD1 LEU 96 -15.028 0.684 7.549 761 3HD1 LEU 96 3HD1 LEU 96 -15.812 -0.805 7.019 762 1HD2 LEU 96 1HD2 LEU 96 -13.024 -2.777 6.258 763 2HD2 LEU 96 2HD2 LEU 96 -12.524 -1.334 5.376 764 3HD2 LEU 96 3HD2 LEU 96 -14.198 -1.882 5.293 765 H LYS 97 H LYS 97 -10.709 -0.845 10.722 766 HA LYS 97 HA LYS 97 -10.419 1.951 11.372 767 1HB LYS 97 2HB LYS 97 -10.789 -0.122 12.865 768 2HB LYS 97 1HB LYS 97 -9.055 -0.399 12.704 769 1HG LYS 97 2HG LYS 97 -8.598 1.843 13.610 770 2HG LYS 97 1HG LYS 97 -10.331 2.146 13.749 771 1HD LYS 97 2HD LYS 97 -8.566 0.636 15.524 772 2HD LYS 97 1HD LYS 97 -10.177 1.284 15.833 773 1HE LYS 97 2HE LYS 97 -11.112 -0.760 15.543 774 2HE LYS 97 1HE LYS 97 -10.303 -0.955 13.975 775 1HZ LYS 97 1HZ LYS 97 -9.021 -2.436 15.032 776 2HZ LYS 97 2HZ LYS 97 -8.262 -1.095 15.747 777 HA PRO 98 HA PRO 98 -5.730 0.982 10.767 778 1HB PRO 98 2HB PRO 98 -5.192 -1.256 9.241 779 2HB PRO 98 1HB PRO 98 -5.222 -1.250 11.015 780 1HG PRO 98 2HG PRO 98 -7.272 -2.196 9.092 781 2HG PRO 98 1HG PRO 98 -6.836 -2.831 10.685 782 1HD PRO 98 2HD PRO 98 -9.062 -1.322 10.211 783 2HD PRO 98 1HD PRO 98 -8.234 -1.395 11.781 784 H LEU 99 H LEU 99 -7.773 -0.273 8.105 785 HA LEU 99 HA LEU 99 -6.265 0.749 5.924 786 1HB LEU 99 2HB LEU 99 -8.051 -0.840 5.616 787 2HB LEU 99 1HB LEU 99 -9.220 0.240 6.378 788 HG LEU 99 HG LEU 99 -9.072 1.806 4.546 789 1HD1 LEU 99 1HD1 LEU 99 -7.431 0.378 2.682 790 2HD1 LEU 99 2HD1 LEU 99 -6.521 0.581 4.178 791 3HD1 LEU 99 3HD1 LEU 99 -7.177 1.992 3.347 792 1HD2 LEU 99 1HD2 LEU 99 -10.312 -0.523 4.333 793 2HD2 LEU 99 2HD2 LEU 99 -9.091 -0.822 3.096 794 3HD2 LEU 99 3HD2 LEU 99 -10.191 0.547 2.936 795 H PHE 100 H PHE 100 -8.647 2.290 8.042 796 HA PHE 100 HA PHE 100 -8.713 4.772 6.469 797 1HB PHE 100 2HB PHE 100 -9.839 3.781 9.091 798 2HB PHE 100 1HB PHE 100 -10.027 5.462 8.594 799 HD1 PHE 100 1HD PHE 100 -12.545 4.640 8.781 800 HD2 PHE 100 2HD PHE 100 -9.780 3.394 5.740 801 HE1 PHE 100 1HE PHE 100 -14.443 3.996 7.320 802 HE2 PHE 100 2HE PHE 100 -11.677 2.749 4.279 803 HZ PHE 100 HZ PHE 100 -14.009 3.051 5.069 804 H ASP 101 H ASP 101 -6.859 3.425 9.092 805 HA ASP 101 HA ASP 101 -5.925 5.950 10.202 806 1HB ASP 101 2HB ASP 101 -5.068 3.050 10.362 807 2HB ASP 101 1HB ASP 101 -4.250 4.327 11.262 808 H PHE 102 H PHE 102 -4.431 3.468 8.082 809 HA PHE 102 HA PHE 102 -2.372 3.626 6.868 810 1HB PHE 102 2HB PHE 102 -4.063 4.409 5.342 811 2HB PHE 102 1HB PHE 102 -4.119 5.989 6.126 812 HD1 PHE 102 1HD PHE 102 -2.620 7.722 5.508 813 HD2 PHE 102 2HD PHE 102 -1.930 3.705 4.155 814 HE1 PHE 102 1HE PHE 102 -0.833 8.539 3.995 815 HE2 PHE 102 2HE PHE 102 -0.143 4.521 2.642 816 HZ PHE 102 HZ PHE 102 0.405 6.938 2.562 817 H THR 103 H THR 103 -0.330 4.751 6.701 818 HA THR 103 HA THR 103 0.206 6.582 8.951 819 HB THR 103 HB THR 103 2.366 6.043 7.052 820 HG1 THR 103 1HG THR 103 2.334 3.779 7.450 821 1HG2 THR 103 1HG2 THR 103 2.996 6.620 9.239 822 2HG2 THR 103 2HG2 THR 103 3.208 4.869 9.218 823 3HG2 THR 103 3HG2 THR 103 1.775 5.575 9.966 824 H GLN 104 H GLN 104 -0.986 8.472 8.138 825 HA GLN 104 HA GLN 104 -0.058 9.686 5.603 826 1HB GLN 104 2HB GLN 104 -2.460 9.513 6.842 827 2HB GLN 104 1HB GLN 104 -1.921 11.079 7.452 828 1HG GLN 104 2HG GLN 104 -1.832 10.364 4.514 829 2HG GLN 104 1HG GLN 104 -3.233 11.133 5.260 830 1HE2 GLN 104 1HE2 GLN 104 -0.741 12.008 3.404 831 2HE2 GLN 104 2HE2 GLN 104 -0.361 13.529 4.056 832 H THR 105 H THR 105 1.705 11.010 5.651 833 HA THR 105 HA THR 105 2.719 12.121 8.172 834 HB THR 105 HB THR 105 3.775 12.954 5.516 835 HG1 THR 105 1HG THR 105 3.642 10.284 6.431 836 1HG2 THR 105 1HG2 THR 105 5.350 13.471 7.074 837 2HG2 THR 105 2HG2 THR 105 5.793 11.771 6.917 838 3HG2 THR 105 3HG2 THR 105 4.734 12.290 8.229 839 H ASP 106 H ASP 106 3.078 14.475 8.440 840 HA ASP 106 HA ASP 106 0.802 16.094 8.024 841 1HB ASP 106 2HB ASP 106 2.535 17.951 8.443 842 2HB ASP 106 1HB ASP 106 2.446 16.677 9.659 843 H GLY 107 H GLY 107 2.039 14.727 5.541 844 1HA GLY 107 2HA GLY 107 1.646 15.404 3.256 845 2HA GLY 107 1HA GLY 107 1.747 17.090 3.767 846 H SER 108 H SER 108 4.092 14.718 4.816 847 HA SER 108 HA SER 108 6.286 16.302 3.713 848 1HB SER 108 2HB SER 108 6.245 13.572 5.038 849 2HB SER 108 1HB SER 108 7.639 14.639 4.887 850 HG SER 108 HG SER 108 6.972 15.557 6.643 851 H ALA 109 H ALA 109 8.038 15.119 2.421 852 HA ALA 109 HA ALA 109 7.490 14.461 -0.122 853 1HB ALA 109 1HB ALA 109 9.257 12.714 1.617 854 2HB ALA 109 2HB ALA 109 9.701 14.341 1.103 855 3HB ALA 109 3HB ALA 109 9.473 13.069 -0.098 856 H SER 110 H SER 110 7.383 12.214 -1.214 857 HA SER 110 HA SER 110 4.975 10.852 -0.354 858 1HB SER 110 2HB SER 110 5.159 9.867 -2.439 859 2HB SER 110 1HB SER 110 6.248 11.228 -2.687 860 HG SER 110 HG SER 110 7.826 9.585 -1.674 861 HA PRO 111 HA PRO 111 7.378 8.347 2.544 862 1HB PRO 111 2HB PRO 111 5.110 7.234 3.687 863 2HB PRO 111 1HB PRO 111 5.850 8.760 4.208 864 1HG PRO 111 2HG PRO 111 3.466 8.296 2.507 865 2HG PRO 111 1HG PRO 111 3.794 9.588 3.671 866 1HD PRO 111 2HD PRO 111 3.950 9.919 0.971 867 2HD PRO 111 1HD PRO 111 4.901 10.869 2.134 868 HA PRO 112 HA PRO 112 7.284 4.650 0.152 869 1HB PRO 112 2HB PRO 112 8.375 2.944 2.045 870 2HB PRO 112 1HB PRO 112 9.321 4.042 1.021 871 1HG PRO 112 2HG PRO 112 8.500 4.333 3.856 872 2HG PRO 112 1HG PRO 112 9.979 4.869 3.045 873 1HD PRO 112 2HD PRO 112 7.939 6.545 3.713 874 2HD PRO 112 1HD PRO 112 9.040 6.834 2.348 875 HA PRO 113 HA PRO 113 3.389 2.945 1.410 876 1HB PRO 113 2HB PRO 113 4.126 0.725 -0.412 877 2HB PRO 113 1HB PRO 113 2.723 1.808 -0.469 878 1HG PRO 113 2HG PRO 113 4.767 1.996 -2.205 879 2HG PRO 113 1HG PRO 113 3.826 3.397 -1.674 880 1HD PRO 113 2HD PRO 113 6.572 2.571 -0.910 881 2HD PRO 113 1HD PRO 113 5.866 4.199 -1.031 882 H ALA 114 H ALA 114 3.702 -0.170 0.862 883 HA ALA 114 HA ALA 114 3.808 -1.149 3.446 884 1HB ALA 114 1HB ALA 114 4.969 -2.319 0.896 885 2HB ALA 114 2HB ALA 114 3.308 -2.488 1.464 886 3HB ALA 114 3HB ALA 114 4.626 -3.253 2.352 887 HA PRO 115 HA PRO 115 7.800 -0.935 5.218 888 1HB PRO 115 2HB PRO 115 8.143 -3.884 5.099 889 2HB PRO 115 1HB PRO 115 8.147 -2.806 6.508 890 1HG PRO 115 2HG PRO 115 6.091 -4.443 5.950 891 2HG PRO 115 1HG PRO 115 5.879 -2.873 6.738 892 1HD PRO 115 2HD PRO 115 5.247 -3.686 3.960 893 2HD PRO 115 1HD PRO 115 4.485 -2.449 4.984 894 H LYS 116 H LYS 116 9.563 -0.275 4.050 895 HA LYS 116 HA LYS 116 10.213 -0.907 1.415 896 1HB LYS 116 2HB LYS 116 11.172 0.904 2.824 897 2HB LYS 116 1HB LYS 116 12.098 -0.302 3.718 898 1HG LYS 116 2HG LYS 116 13.051 1.020 1.533 899 2HG LYS 116 1HG LYS 116 13.612 -0.575 2.034 900 1HD LYS 116 2HD LYS 116 11.983 -1.644 0.547 901 2HD LYS 116 1HD LYS 116 11.354 -0.065 0.076 902 1HE LYS 116 2HE LYS 116 13.167 -1.261 -1.441 903 2HE LYS 116 1HE LYS 116 13.294 0.485 -1.140 904 1HZ LYS 116 1HZ LYS 116 15.358 -0.194 -0.465 905 2HZ LYS 116 2HZ LYS 116 14.822 -1.720 0.051 906 H HIS 117 H HIS 117 11.029 -2.719 0.428 907 HA HIS 117 HA HIS 117 12.363 -4.782 2.153 908 1HB HIS 117 2HB HIS 117 10.520 -6.000 1.627 909 2HB HIS 117 1HB HIS 117 10.023 -4.848 0.386 910 HD1 HIS 117 1HD HIS 117 10.915 -5.226 -2.031 911 HD2 HIS 117 2HD HIS 117 12.099 -8.166 0.676 912 HE1 HIS 117 1HE HIS 117 11.860 -7.130 -3.409 913 H HIS 118 H HIS 118 14.433 -5.161 1.472 914 HA HIS 118 HA HIS 118 15.436 -4.049 -1.034 915 1HB HIS 118 2HB HIS 118 17.380 -4.253 0.111 916 2HB HIS 118 1HB HIS 118 16.416 -4.839 1.468 917 HD1 HIS 118 1HD HIS 118 18.636 -6.009 -1.317 918 HD2 HIS 118 2HD HIS 118 16.439 -7.677 1.809 919 HE1 HIS 118 1HE HIS 118 19.374 -8.424 -1.132 920 H HIS 119 H HIS 119 15.535 -5.118 -2.980 921 HA HIS 119 HA HIS 119 14.353 -7.684 -3.391 922 1HB HIS 119 2HB HIS 119 15.230 -7.367 -5.667 923 2HB HIS 119 1HB HIS 119 14.593 -5.843 -5.049 924 HD1 HIS 119 1HD HIS 119 17.983 -7.603 -4.810 925 HD2 HIS 119 2HD HIS 119 16.389 -3.836 -5.607 926 HE1 HIS 119 1HE HIS 119 19.952 -6.070 -5.244 927 H ALA 120 H ALA 120 15.399 -9.669 -4.039 928 HA ALA 120 HA ALA 120 17.202 -10.928 -2.517 929 1HB ALA 120 1HB ALA 120 17.884 -12.196 -4.533 930 2HB ALA 120 2HB ALA 120 17.263 -10.897 -5.552 931 3HB ALA 120 3HB ALA 120 16.156 -11.843 -4.556 932 H SER 121 H SER 121 19.576 -11.428 -2.862 933 HA SER 121 HA SER 121 21.094 -8.897 -3.417 934 1HB SER 121 2HB SER 121 21.893 -9.244 -1.334 935 2HB SER 121 1HB SER 121 20.953 -10.728 -1.209 936 HG SER 121 HG SER 121 22.971 -11.240 -2.811 937 H LYS 122 H LYS 122 22.247 -9.040 -5.310 938 HA LYS 122 HA LYS 122 23.153 -11.748 -6.217 939 1HB LYS 122 2HB LYS 122 22.180 -9.242 -7.480 940 2HB LYS 122 1HB LYS 122 23.469 -10.081 -8.345 941 1HG LYS 122 2HG LYS 122 21.986 -12.211 -7.877 942 2HG LYS 122 1HG LYS 122 20.694 -11.023 -7.704 943 1HD LYS 122 2HD LYS 122 20.517 -11.004 -9.950 944 2HD LYS 122 1HD LYS 122 22.106 -10.238 -10.003 945 1HE LYS 122 2HE LYS 122 23.069 -12.635 -9.827 946 2HE LYS 122 1HE LYS 122 21.437 -13.174 -10.267 947 1HZ LYS 122 1HZ LYS 122 21.544 -11.521 -12.122 948 2HZ LYS 122 2HZ LYS 122 23.197 -11.326 -11.780 949 H VAL 123 H VAL 123 25.106 -11.759 -4.926 950 HA VAL 123 HA VAL 123 27.129 -9.677 -5.687 951 HB VAL 123 HB VAL 123 27.995 -11.132 -3.440 952 1HG1 VAL 123 1HG1 VAL 123 27.118 -8.941 -2.282 953 2HG1 VAL 123 2HG1 VAL 123 26.763 -8.435 -3.934 954 3HG1 VAL 123 3HG1 VAL 123 28.417 -8.834 -3.470 955 1HG2 VAL 123 1HG2 VAL 123 25.695 -10.448 -2.127 956 2HG2 VAL 123 2HG2 VAL 123 26.064 -12.082 -2.678 957 3HG2 VAL 123 3HG2 VAL 123 25.046 -11.029 -3.660 958 H ASP 124 H ASP 124 28.180 -10.642 -7.458 959 HA ASP 124 HA ASP 124 28.893 -13.511 -7.354 960 1HB ASP 124 2HB ASP 124 28.452 -13.107 -9.542 961 2HB ASP 124 1HB ASP 124 28.572 -11.362 -9.312 Start of MODEL 10 1 H SER 2 H SER 2 -7.715 -3.256 4.514 2 HA SER 2 HA SER 2 -9.162 -2.271 6.576 3 1HB SER 2 2HB SER 2 -9.882 -4.428 6.734 4 2HB SER 2 1HB SER 2 -8.731 -4.743 5.439 5 HG SER 2 HG SER 2 -8.622 -5.364 8.129 6 H ASN 3 H ASN 3 -6.337 -4.350 7.341 7 HA ASN 3 HA ASN 3 -6.184 -3.192 10.047 8 1HB ASN 3 2HB ASN 3 -5.821 -5.527 9.894 9 2HB ASN 3 1HB ASN 3 -4.784 -5.358 8.477 10 1HD2 ASN 3 1HD2 ASN 3 -3.249 -6.698 9.928 11 2HD2 ASN 3 2HD2 ASN 3 -2.257 -5.843 11.008 12 H GLN 4 H GLN 4 -3.830 -3.594 7.363 13 HA GLN 4 HA GLN 4 -2.434 -1.133 8.359 14 1HB GLN 4 2HB GLN 4 -1.274 -3.263 6.565 15 2HB GLN 4 1HB GLN 4 -0.429 -2.168 7.660 16 1HG GLN 4 2HG GLN 4 -2.334 -3.722 9.157 17 2HG GLN 4 1HG GLN 4 -1.315 -4.805 8.207 18 1HE2 GLN 4 1HE2 GLN 4 -0.230 -5.492 10.237 19 2HE2 GLN 4 2HE2 GLN 4 0.924 -4.483 10.968 20 H ILE 5 H ILE 5 -1.385 0.163 6.582 21 HA ILE 5 HA ILE 5 -2.992 0.052 4.049 22 HB ILE 5 HB ILE 5 -2.697 2.057 6.081 23 1HG1 ILE 5 2HG1 ILE 5 -4.120 1.862 3.418 24 2HG1 ILE 5 1HG1 ILE 5 -4.804 1.666 5.033 25 1HG2 ILE 5 1HG2 ILE 5 -2.027 3.251 3.424 26 2HG2 ILE 5 2HG2 ILE 5 -0.715 2.538 4.363 27 3HG2 ILE 5 3HG2 ILE 5 -1.675 3.851 5.044 28 1HD1 ILE 5 1HD1 ILE 5 -5.334 3.889 4.001 29 2HD1 ILE 5 2HD1 ILE 5 -3.608 4.251 3.995 30 3HD1 ILE 5 3HD1 ILE 5 -4.455 4.020 5.525 31 H TYR 6 H TYR 6 -1.739 -0.159 2.231 32 HA TYR 6 HA TYR 6 1.082 0.806 2.293 33 1HB TYR 6 2HB TYR 6 0.057 -1.967 1.625 34 2HB TYR 6 1HB TYR 6 1.685 -1.420 1.227 35 HD1 TYR 6 1HD TYR 6 3.284 -2.228 2.706 36 HD2 TYR 6 2HD TYR 6 -0.570 -1.082 4.216 37 HE1 TYR 6 1HE TYR 6 4.028 -2.761 5.011 38 HE2 TYR 6 2HE TYR 6 0.174 -1.614 6.521 39 HH TYR 6 HH TYR 6 2.003 -2.035 7.810 40 H SER 7 H SER 7 2.009 0.803 0.013 41 HA SER 7 HA SER 7 -0.140 1.526 -1.938 42 1HB SER 7 2HB SER 7 1.176 3.363 -2.055 43 2HB SER 7 1HB SER 7 2.444 2.581 -1.115 44 HG SER 7 HG SER 7 3.420 2.001 -2.908 45 H ALA 8 H ALA 8 -0.292 0.402 -3.861 46 HA ALA 8 HA ALA 8 1.920 -1.464 -4.611 47 1HB ALA 8 1HB ALA 8 0.545 -3.030 -3.636 48 2HB ALA 8 2HB ALA 8 -0.273 -2.940 -5.195 49 3HB ALA 8 3HB ALA 8 -0.892 -2.027 -3.820 50 H ARG 9 H ARG 9 2.106 -1.752 -6.874 51 HA ARG 9 HA ARG 9 0.101 -0.338 -8.592 52 1HB ARG 9 2HB ARG 9 1.678 1.137 -9.310 53 2HB ARG 9 1HB ARG 9 2.582 0.652 -7.875 54 1HG ARG 9 2HG ARG 9 4.171 0.209 -9.493 55 2HG ARG 9 1HG ARG 9 3.338 -1.346 -9.469 56 1HD ARG 9 2HD ARG 9 1.778 -0.128 -11.271 57 2HD ARG 9 1HD ARG 9 3.264 0.805 -11.544 58 HE ARG 9 HE ARG 9 3.640 -2.110 -11.365 59 1HH1 ARG 9 1HH1 ARG 9 3.127 0.692 -13.308 60 1HH2 ARG 9 1HH2 ARG 9 4.484 -3.062 -13.234 61 2HH2 ARG 9 2HH2 ARG 9 4.539 -2.151 -14.706 62 H TYR 10 H TYR 10 -0.474 -1.590 -10.338 63 HA TYR 10 HA TYR 10 1.441 -3.640 -11.349 64 1HB TYR 10 2HB TYR 10 -1.333 -4.057 -10.221 65 2HB TYR 10 1HB TYR 10 -0.589 -5.233 -11.305 66 HD1 TYR 10 1HD TYR 10 -0.335 -3.575 -8.008 67 HD2 TYR 10 2HD TYR 10 1.275 -6.602 -10.596 68 HE1 TYR 10 1HE TYR 10 0.951 -4.516 -6.108 69 HE2 TYR 10 2HE TYR 10 2.561 -7.543 -8.696 70 HH TYR 10 HH TYR 10 3.489 -6.499 -6.411 71 H SER 11 H SER 11 1.065 -4.185 -13.556 72 HA SER 11 HA SER 11 0.345 -3.775 -15.768 73 1HB SER 11 2HB SER 11 -1.737 -4.653 -15.549 74 2HB SER 11 1HB SER 11 -1.953 -3.921 -13.961 75 HG SER 11 HG SER 11 -3.407 -2.957 -15.322 76 H GLY 12 H GLY 12 1.658 -1.573 -14.511 77 1HA GLY 12 2HA GLY 12 2.037 0.696 -15.016 78 2HA GLY 12 1HA GLY 12 0.710 0.603 -16.175 79 H VAL 13 H VAL 13 -0.824 -0.566 -13.670 80 HA VAL 13 HA VAL 13 -1.987 2.031 -12.919 81 HB VAL 13 HB VAL 13 -2.660 -0.834 -12.906 82 1HG1 VAL 13 1HG1 VAL 13 -3.938 -0.936 -10.960 83 2HG1 VAL 13 2HG1 VAL 13 -4.069 0.819 -10.834 84 3HG1 VAL 13 3HG1 VAL 13 -2.558 0.015 -10.407 85 1HG2 VAL 13 1HG2 VAL 13 -4.291 0.062 -14.174 86 2HG2 VAL 13 2HG2 VAL 13 -3.711 1.683 -13.786 87 3HG2 VAL 13 3HG2 VAL 13 -4.916 0.907 -12.757 88 H ASP 14 H ASP 14 -2.163 2.743 -10.715 89 HA ASP 14 HA ASP 14 -0.035 1.656 -8.904 90 1HB ASP 14 2HB ASP 14 -0.872 4.295 -9.790 91 2HB ASP 14 1HB ASP 14 -0.927 4.183 -8.031 92 H VAL 15 H VAL 15 -0.866 0.525 -7.165 93 HA VAL 15 HA VAL 15 -3.538 1.372 -6.106 94 HB VAL 15 HB VAL 15 -4.360 -0.550 -6.952 95 1HG1 VAL 15 1HG1 VAL 15 -2.919 -0.822 -8.736 96 2HG1 VAL 15 2HG1 VAL 15 -2.530 -2.286 -7.833 97 3HG1 VAL 15 3HG1 VAL 15 -1.487 -0.870 -7.707 98 1HG2 VAL 15 1HG2 VAL 15 -3.706 -2.665 -5.856 99 2HG2 VAL 15 2HG2 VAL 15 -3.881 -1.371 -4.670 100 3HG2 VAL 15 3HG2 VAL 15 -2.274 -1.879 -5.191 101 H TYR 16 H TYR 16 -3.930 0.326 -3.908 102 HA TYR 16 HA TYR 16 -1.378 0.250 -2.334 103 1HB TYR 16 2HB TYR 16 -4.098 0.873 -1.209 104 2HB TYR 16 1HB TYR 16 -2.519 1.453 -0.676 105 HD1 TYR 16 1HD TYR 16 -1.543 2.062 -3.578 106 HD2 TYR 16 2HD TYR 16 -5.079 3.110 -1.376 107 HE1 TYR 16 1HE TYR 16 -1.813 4.092 -4.977 108 HE2 TYR 16 2HE TYR 16 -5.348 5.141 -2.775 109 HH TYR 16 HH TYR 16 -3.045 5.882 -5.398 110 H GLU 17 H GLU 17 -1.262 -1.387 -0.659 111 HA GLU 17 HA GLU 17 -3.296 -3.573 -0.976 112 1HB GLU 17 2HB GLU 17 -0.827 -4.531 0.074 113 2HB GLU 17 1HB GLU 17 -1.511 -4.838 -1.523 114 1HG GLU 17 2HG GLU 17 0.237 -3.681 -2.361 115 2HG GLU 17 1HG GLU 17 -0.531 -2.234 -1.704 116 H PHE 18 H PHE 18 -4.505 -3.827 0.837 117 HA PHE 18 HA PHE 18 -3.196 -3.463 3.505 118 1HB PHE 18 2HB PHE 18 -5.989 -2.711 3.504 119 2HB PHE 18 1HB PHE 18 -4.588 -1.732 3.939 120 HD1 PHE 18 1HD PHE 18 -7.319 -1.506 2.008 121 HD2 PHE 18 2HD PHE 18 -3.051 -1.488 1.516 122 HE1 PHE 18 1HE PHE 18 -7.567 -0.217 -0.096 123 HE2 PHE 18 2HE PHE 18 -3.299 -0.198 -0.587 124 HZ PHE 18 HZ PHE 18 -5.557 0.437 -1.394 125 H ILE 19 H ILE 19 -3.792 -5.062 4.986 126 HA ILE 19 HA ILE 19 -5.237 -7.393 3.968 127 HB ILE 19 HB ILE 19 -3.313 -6.773 5.923 128 1HG1 ILE 19 2HG1 ILE 19 -3.625 -8.826 4.431 129 2HG1 ILE 19 1HG1 ILE 19 -3.083 -9.152 6.077 130 1HG2 ILE 19 1HG2 ILE 19 -4.182 -7.256 8.010 131 2HG2 ILE 19 2HG2 ILE 19 -5.484 -8.248 7.354 132 3HG2 ILE 19 3HG2 ILE 19 -5.592 -6.489 7.282 133 1HD1 ILE 19 1HD1 ILE 19 -5.995 -9.211 5.254 134 2HD1 ILE 19 2HD1 ILE 19 -5.298 -9.782 6.769 135 3HD1 ILE 19 3HD1 ILE 19 -4.966 -10.643 5.267 136 H HIS 20 H HIS 20 -7.369 -7.857 4.293 137 HA HIS 20 HA HIS 20 -8.851 -6.525 6.505 138 1HB HIS 20 2HB HIS 20 -8.789 -5.317 4.124 139 2HB HIS 20 1HB HIS 20 -10.046 -6.500 3.759 140 HD1 HIS 20 1HD HIS 20 -11.643 -6.637 6.294 141 HD2 HIS 20 2HD HIS 20 -10.174 -3.027 4.813 142 HE1 HIS 20 1HE HIS 20 -13.079 -4.811 7.304 143 H SER 21 H SER 21 -11.381 -7.370 5.090 144 HA SER 21 HA SER 21 -11.655 -9.994 6.222 145 1HB SER 21 2HB SER 21 -13.216 -8.324 4.240 146 2HB SER 21 1HB SER 21 -13.782 -9.906 4.767 147 HG SER 21 HG SER 21 -14.287 -9.084 6.641 148 H THR 22 H THR 22 -10.879 -8.830 2.969 149 HA THR 22 HA THR 22 -10.803 -11.614 1.919 150 HB THR 22 HB THR 22 -11.096 -8.866 0.898 151 HG1 THR 22 1HG THR 22 -12.734 -10.317 0.642 152 1HG2 THR 22 1HG2 THR 22 -9.870 -9.056 -1.088 153 2HG2 THR 22 2HG2 THR 22 -9.706 -10.805 -0.932 154 3HG2 THR 22 3HG2 THR 22 -8.765 -9.735 0.107 155 H GLY 23 H GLY 23 -8.809 -9.996 3.794 156 1HA GLY 23 2HA GLY 23 -6.502 -10.565 4.173 157 2HA GLY 23 1HA GLY 23 -6.384 -11.095 2.492 158 H SER 24 H SER 24 -5.286 -9.722 1.183 159 HA SER 24 HA SER 24 -4.676 -6.988 2.101 160 1HB SER 24 2HB SER 24 -3.807 -8.871 -0.071 161 2HB SER 24 1HB SER 24 -3.427 -7.157 -0.222 162 HG SER 24 HG SER 24 -2.258 -7.256 1.634 163 H ILE 25 H ILE 25 -5.514 -5.122 1.170 164 HA ILE 25 HA ILE 25 -7.621 -5.497 -0.933 165 HB ILE 25 HB ILE 25 -7.326 -3.168 0.968 166 1HG1 ILE 25 2HG1 ILE 25 -7.379 -4.938 2.517 167 2HG1 ILE 25 1HG1 ILE 25 -9.087 -4.539 2.326 168 1HG2 ILE 25 1HG2 ILE 25 -9.026 -2.611 -0.477 169 2HG2 ILE 25 2HG2 ILE 25 -9.965 -3.577 0.659 170 3HG2 ILE 25 3HG2 ILE 25 -9.402 -4.293 -0.851 171 1HD1 ILE 25 1HD1 ILE 25 -8.486 -7.026 2.189 172 2HD1 ILE 25 2HD1 ILE 25 -7.730 -6.650 0.641 173 3HD1 ILE 25 3HD1 ILE 25 -9.459 -6.385 0.865 174 H MET 26 H MET 26 -7.076 -4.630 -2.909 175 HA MET 26 HA MET 26 -4.943 -2.529 -2.969 176 1HB MET 26 2HB MET 26 -5.599 -4.942 -4.503 177 2HB MET 26 1HB MET 26 -5.256 -3.546 -5.526 178 1HG MET 26 2HG MET 26 -3.148 -3.170 -4.243 179 2HG MET 26 1HG MET 26 -3.475 -4.646 -3.333 180 1HE MET 26 1HE MET 26 -0.818 -4.113 -6.312 181 2HE MET 26 2HE MET 26 -0.540 -5.372 -5.112 182 3HE MET 26 3HE MET 26 -1.146 -3.799 -4.602 183 H LYS 27 H LYS 27 -5.634 -0.514 -3.500 184 HA LYS 27 HA LYS 27 -8.242 -0.227 -4.952 185 1HB LYS 27 2HB LYS 27 -8.598 1.012 -3.075 186 2HB LYS 27 1HB LYS 27 -6.874 1.107 -2.709 187 1HG LYS 27 2HG LYS 27 -6.717 2.763 -4.669 188 2HG LYS 27 1HG LYS 27 -8.478 2.840 -4.593 189 1HD LYS 27 2HD LYS 27 -6.508 4.089 -2.854 190 2HD LYS 27 1HD LYS 27 -8.241 4.396 -2.978 191 1HE LYS 27 2HE LYS 27 -7.299 1.892 -1.599 192 2HE LYS 27 1HE LYS 27 -7.284 3.436 -0.723 193 1HZ LYS 27 1HZ LYS 27 -9.511 3.575 -0.743 194 2HZ LYS 27 2HZ LYS 27 -9.648 2.959 -2.320 195 H ARG 28 H ARG 28 -8.329 1.697 -6.447 196 HA ARG 28 HA ARG 28 -5.924 1.771 -8.149 197 1HB ARG 28 2HB ARG 28 -8.705 1.902 -8.467 198 2HB ARG 28 1HB ARG 28 -8.138 3.523 -8.870 199 1HG ARG 28 2HG ARG 28 -6.339 2.316 -10.294 200 2HG ARG 28 1HG ARG 28 -7.378 0.899 -10.145 201 1HD ARG 28 2HD ARG 28 -9.279 2.215 -11.079 202 2HD ARG 28 1HD ARG 28 -8.183 3.594 -11.300 203 HE ARG 28 HE ARG 28 -6.858 2.195 -12.854 204 1HH1 ARG 28 1HH1 ARG 28 -9.927 1.023 -11.807 205 1HH2 ARG 28 1HH2 ARG 28 -7.069 0.751 -14.582 206 2HH2 ARG 28 2HH2 ARG 28 -8.484 -0.241 -14.696 207 H LYS 29 H LYS 29 -4.455 3.429 -8.116 208 HA LYS 29 HA LYS 29 -4.572 5.534 -6.155 209 1HB LYS 29 2HB LYS 29 -2.453 4.765 -6.859 210 2HB LYS 29 1HB LYS 29 -2.886 4.875 -8.565 211 1HG LYS 29 2HG LYS 29 -3.225 7.453 -7.895 212 2HG LYS 29 1HG LYS 29 -2.011 7.020 -6.691 213 1HD LYS 29 2HD LYS 29 -0.883 5.868 -8.840 214 2HD LYS 29 1HD LYS 29 -1.773 7.153 -9.657 215 1HE LYS 29 2HE LYS 29 -0.573 8.343 -7.372 216 2HE LYS 29 1HE LYS 29 0.680 7.369 -8.168 217 1HZ LYS 29 1HZ LYS 29 0.401 9.632 -9.133 218 2HZ LYS 29 2HZ LYS 29 0.179 8.376 -10.253 219 H LYS 30 H LYS 30 -5.212 5.447 -9.660 220 HA LYS 30 HA LYS 30 -5.457 8.132 -10.311 221 1HB LYS 30 2HB LYS 30 -7.687 6.371 -11.170 222 2HB LYS 30 1HB LYS 30 -6.540 7.287 -12.148 223 1HG LYS 30 2HG LYS 30 -4.879 5.453 -11.000 224 2HG LYS 30 1HG LYS 30 -6.364 4.511 -11.142 225 1HD LYS 30 2HD LYS 30 -5.565 4.128 -13.254 226 2HD LYS 30 1HD LYS 30 -6.341 5.678 -13.579 227 1HE LYS 30 2HE LYS 30 -3.421 5.063 -13.229 228 2HE LYS 30 1HE LYS 30 -4.212 6.135 -14.402 229 1HZ LYS 30 1HZ LYS 30 -3.050 7.252 -12.460 230 2HZ LYS 30 2HZ LYS 30 -4.307 6.651 -11.489 231 H ASP 31 H ASP 31 -8.189 6.150 -9.082 232 HA ASP 31 HA ASP 31 -9.411 8.686 -8.038 233 1HB ASP 31 2HB ASP 31 -10.339 6.783 -9.853 234 2HB ASP 31 1HB ASP 31 -11.157 6.361 -8.348 235 H ASP 32 H ASP 32 -7.588 6.321 -6.880 236 HA ASP 32 HA ASP 32 -7.391 5.243 -4.783 237 1HB ASP 32 2HB ASP 32 -9.439 7.270 -3.875 238 2HB ASP 32 1HB ASP 32 -8.047 6.647 -2.988 239 H TRP 33 H TRP 33 -9.118 3.869 -6.432 240 HA TRP 33 HA TRP 33 -11.741 3.490 -5.187 241 1HB TRP 33 2HB TRP 33 -10.336 1.670 -7.149 242 2HB TRP 33 1HB TRP 33 -12.064 1.984 -6.998 243 HD1 TRP 33 HD TRP 33 -8.856 4.014 -7.779 244 HE1 TRP 33 1HE TRP 33 -9.444 5.774 -9.569 245 HE3 TRP 33 3HE TRP 33 -13.849 3.085 -8.325 246 HZ2 TRP 33 2HZ TRP 33 -11.730 6.670 -11.039 247 HZ3 TRP 33 3HZ TRP 33 -15.205 4.405 -9.924 248 HH2 TRP 33 HH TRP 33 -14.153 6.194 -11.281 249 H VAL 34 H VAL 34 -12.404 1.406 -4.227 250 HA VAL 34 HA VAL 34 -10.129 -0.155 -3.051 251 HB VAL 34 HB VAL 34 -11.260 1.609 -1.571 252 1HG1 VAL 34 1HG1 VAL 34 -13.470 1.346 -0.910 253 2HG1 VAL 34 2HG1 VAL 34 -13.474 -0.385 -1.250 254 3HG1 VAL 34 3HG1 VAL 34 -13.566 0.774 -2.576 255 1HG2 VAL 34 1HG2 VAL 34 -10.079 0.106 -0.279 256 2HG2 VAL 34 2HG2 VAL 34 -10.898 -1.293 -0.973 257 3HG2 VAL 34 3HG2 VAL 34 -11.708 -0.312 0.249 258 H ASN 35 H ASN 35 -10.558 -2.392 -2.792 259 HA ASN 35 HA ASN 35 -12.411 -3.620 -4.594 260 1HB ASN 35 2HB ASN 35 -10.511 -4.859 -3.986 261 2HB ASN 35 1HB ASN 35 -10.696 -4.477 -2.274 262 1HD2 ASN 35 1HD2 ASN 35 -10.392 -7.172 -2.995 263 2HD2 ASN 35 2HD2 ASN 35 -11.862 -7.991 -2.779 264 H ALA 36 H ALA 36 -14.580 -3.027 -4.215 265 HA ALA 36 HA ALA 36 -16.035 -2.515 -1.973 266 1HB ALA 36 1HB ALA 36 -17.805 -2.967 -3.348 267 2HB ALA 36 2HB ALA 36 -17.250 -4.609 -3.673 268 3HB ALA 36 3HB ALA 36 -16.558 -3.253 -4.562 269 H THR 37 H THR 37 -14.447 -5.553 -2.644 270 HA THR 37 HA THR 37 -15.969 -7.281 -0.940 271 HB THR 37 HB THR 37 -12.992 -7.331 -1.524 272 HG1 THR 37 1HG THR 37 -13.477 -7.900 -3.489 273 1HG2 THR 37 1HG2 THR 37 -15.044 -9.453 -0.851 274 2HG2 THR 37 2HG2 THR 37 -13.636 -8.988 0.104 275 3HG2 THR 37 3HG2 THR 37 -13.421 -9.818 -1.438 276 H HIS 38 H HIS 38 -12.924 -5.503 -0.289 277 HA HIS 38 HA HIS 38 -12.735 -6.120 2.484 278 1HB HIS 38 2HB HIS 38 -10.838 -4.986 1.976 279 2HB HIS 38 1HB HIS 38 -11.577 -4.329 0.516 280 HD1 HIS 38 1HD HIS 38 -9.903 -2.981 3.159 281 HD2 HIS 38 2HD HIS 38 -13.783 -2.305 1.795 282 HE1 HIS 38 1HE HIS 38 -10.591 -0.713 4.051 283 H ILE 39 H ILE 39 -14.648 -3.774 0.713 284 HA ILE 39 HA ILE 39 -15.612 -2.435 3.171 285 HB ILE 39 HB ILE 39 -15.804 -2.112 0.195 286 1HG1 ILE 39 2HG1 ILE 39 -15.552 0.341 1.555 287 2HG1 ILE 39 1HG1 ILE 39 -14.562 -0.802 2.463 288 1HG2 ILE 39 1HG2 ILE 39 -17.882 -1.260 0.224 289 2HG2 ILE 39 2HG2 ILE 39 -17.418 -0.126 1.493 290 3HG2 ILE 39 3HG2 ILE 39 -18.031 -1.724 1.920 291 1HD1 ILE 39 1HD1 ILE 39 -13.020 -0.916 0.818 292 2HD1 ILE 39 2HD1 ILE 39 -13.822 0.485 0.106 293 3HD1 ILE 39 3HD1 ILE 39 -14.257 -1.141 -0.420 294 H LEU 40 H LEU 40 -16.978 -4.302 0.440 295 HA LEU 40 HA LEU 40 -19.525 -4.686 1.899 296 1HB LEU 40 2HB LEU 40 -18.495 -4.765 -0.832 297 2HB LEU 40 1HB LEU 40 -19.522 -6.156 -0.481 298 HG LEU 40 HG LEU 40 -20.580 -3.609 0.546 299 1HD1 LEU 40 1HD1 LEU 40 -20.640 -4.043 -2.443 300 2HD1 LEU 40 2HD1 LEU 40 -19.422 -3.021 -1.679 301 3HD1 LEU 40 3HD1 LEU 40 -21.132 -2.612 -1.536 302 1HD2 LEU 40 1HD2 LEU 40 -22.356 -4.872 -1.238 303 2HD2 LEU 40 2HD2 LEU 40 -22.349 -5.010 0.521 304 3HD2 LEU 40 3HD2 LEU 40 -21.468 -6.182 -0.459 305 H LYS 41 H LYS 41 -16.985 -6.750 0.424 306 HA LYS 41 HA LYS 41 -17.998 -9.225 1.493 307 1HB LYS 41 2HB LYS 41 -16.545 -9.452 -0.316 308 2HB LYS 41 1HB LYS 41 -15.462 -8.188 0.270 309 1HG LYS 41 2HG LYS 41 -14.322 -10.283 0.583 310 2HG LYS 41 1HG LYS 41 -14.847 -9.742 2.177 311 1HD LYS 41 2HD LYS 41 -16.964 -11.154 1.765 312 2HD LYS 41 1HD LYS 41 -16.059 -11.895 0.444 313 1HE LYS 41 2HE LYS 41 -15.975 -12.811 3.015 314 2HE LYS 41 1HE LYS 41 -14.631 -13.005 1.874 315 1HZ LYS 41 1HZ LYS 41 -13.833 -10.791 2.585 316 2HZ LYS 41 2HZ LYS 41 -15.033 -10.768 3.786 317 H ALA 42 H ALA 42 -15.988 -6.679 2.788 318 HA ALA 42 HA ALA 42 -14.725 -8.125 4.926 319 1HB ALA 42 1HB ALA 42 -14.601 -5.754 5.885 320 2HB ALA 42 2HB ALA 42 -15.537 -5.238 4.482 321 3HB ALA 42 3HB ALA 42 -13.939 -5.952 4.262 322 H ALA 43 H ALA 43 -17.943 -6.867 4.459 323 HA ALA 43 HA ALA 43 -18.708 -7.908 7.157 324 1HB ALA 43 1HB ALA 43 -19.714 -5.882 7.735 325 2HB ALA 43 2HB ALA 43 -19.923 -5.394 6.053 326 3HB ALA 43 3HB ALA 43 -18.330 -5.311 6.805 327 H ASN 44 H ASN 44 -19.027 -8.789 4.226 328 HA ASN 44 HA ASN 44 -21.936 -9.361 4.421 329 1HB ASN 44 2HB ASN 44 -22.457 -8.314 2.389 330 2HB ASN 44 1HB ASN 44 -21.277 -7.197 3.076 331 1HD2 ASN 44 1HD2 ASN 44 -20.244 -6.467 1.160 332 2HD2 ASN 44 2HD2 ASN 44 -19.441 -7.498 0.078 333 H PHE 45 H PHE 45 -18.967 -10.594 4.157 334 HA PHE 45 HA PHE 45 -18.026 -12.519 3.132 335 1HB PHE 45 2HB PHE 45 -20.750 -12.950 4.110 336 2HB PHE 45 1HB PHE 45 -20.296 -14.115 2.865 337 HD1 PHE 45 1HD PHE 45 -17.685 -12.549 4.887 338 HD2 PHE 45 2HD PHE 45 -20.291 -15.948 4.545 339 HE1 PHE 45 1HE PHE 45 -16.300 -13.777 6.538 340 HE2 PHE 45 2HE PHE 45 -18.906 -17.175 6.196 341 HZ PHE 45 HZ PHE 45 -16.911 -16.089 7.192 342 H ALA 46 H ALA 46 -17.596 -13.296 1.052 343 HA ALA 46 HA ALA 46 -19.165 -12.091 -1.157 344 1HB ALA 46 1HB ALA 46 -17.113 -13.495 -2.290 345 2HB ALA 46 2HB ALA 46 -16.464 -13.216 -0.674 346 3HB ALA 46 3HB ALA 46 -16.947 -11.849 -1.678 347 H LYS 47 H LYS 47 -21.055 -13.377 -1.148 348 HA LYS 47 HA LYS 47 -20.674 -16.167 -2.164 349 1HB LYS 47 2HB LYS 47 -22.641 -15.151 -0.080 350 2HB LYS 47 1HB LYS 47 -22.613 -16.793 -0.723 351 1HG LYS 47 2HG LYS 47 -19.962 -16.164 0.105 352 2HG LYS 47 1HG LYS 47 -21.048 -15.698 1.415 353 1HD LYS 47 2HD LYS 47 -20.150 -18.200 1.182 354 2HD LYS 47 1HD LYS 47 -21.780 -17.860 1.766 355 1HE LYS 47 2HE LYS 47 -21.624 -17.974 -1.167 356 2HE LYS 47 1HE LYS 47 -21.195 -19.506 -0.378 357 1HZ LYS 47 1HZ LYS 47 -23.255 -18.637 1.120 358 2HZ LYS 47 2HZ LYS 47 -23.399 -19.756 -0.150 359 H ALA 48 H ALA 48 -23.359 -16.737 -2.673 360 HA ALA 48 HA ALA 48 -23.914 -15.409 -5.096 361 1HB ALA 48 1HB ALA 48 -26.049 -16.483 -4.920 362 2HB ALA 48 2HB ALA 48 -26.014 -16.419 -3.158 363 3HB ALA 48 3HB ALA 48 -24.942 -17.522 -4.021 364 H LYS 49 H LYS 49 -24.458 -14.441 -1.793 365 HA LYS 49 HA LYS 49 -26.373 -12.332 -2.273 366 1HB LYS 49 2HB LYS 49 -24.791 -13.482 -0.131 367 2HB LYS 49 1HB LYS 49 -24.745 -11.721 -0.045 368 1HG LYS 49 2HG LYS 49 -26.837 -13.405 0.811 369 2HG LYS 49 1HG LYS 49 -26.871 -11.645 0.697 370 1HD LYS 49 2HD LYS 49 -27.951 -11.657 -1.352 371 2HD LYS 49 1HD LYS 49 -27.306 -13.237 -1.800 372 1HE LYS 49 2HE LYS 49 -29.703 -12.575 -0.142 373 2HE LYS 49 1HE LYS 49 -29.448 -13.918 -1.273 374 1HZ LYS 49 1HZ LYS 49 -29.379 -14.408 1.244 375 2HZ LYS 49 2HZ LYS 49 -28.175 -15.080 0.252 376 H ARG 50 H ARG 50 -22.807 -12.328 -1.811 377 HA ARG 50 HA ARG 50 -22.403 -9.548 -2.306 378 1HB ARG 50 2HB ARG 50 -20.912 -11.948 -1.859 379 2HB ARG 50 1HB ARG 50 -20.207 -11.128 -3.253 380 1HG ARG 50 2HG ARG 50 -19.869 -10.469 -0.518 381 2HG ARG 50 1HG ARG 50 -19.276 -9.575 -1.918 382 1HD ARG 50 2HD ARG 50 -20.713 -8.166 -0.415 383 2HD ARG 50 1HD ARG 50 -21.402 -8.327 -2.043 384 HE ARG 50 HE ARG 50 -22.576 -10.430 -0.865 385 1HH1 ARG 50 1HH1 ARG 50 -21.952 -7.257 0.327 386 1HH2 ARG 50 1HH2 ARG 50 -24.370 -10.429 0.511 387 2HH2 ARG 50 2HH2 ARG 50 -24.690 -9.037 1.491 388 H THR 51 H THR 51 -22.939 -12.258 -4.475 389 HA THR 51 HA THR 51 -21.926 -11.046 -6.889 390 HB THR 51 HB THR 51 -23.137 -13.457 -6.008 391 HG1 THR 51 1HG THR 51 -22.573 -14.001 -8.279 392 1HG2 THR 51 1HG2 THR 51 -25.303 -12.969 -6.697 393 2HG2 THR 51 2HG2 THR 51 -24.635 -13.688 -8.164 394 3HG2 THR 51 3HG2 THR 51 -24.760 -11.934 -8.018 395 H ARG 52 H ARG 52 -25.056 -11.010 -5.225 396 HA ARG 52 HA ARG 52 -26.285 -9.361 -7.360 397 1HB ARG 52 2HB ARG 52 -27.107 -11.184 -5.314 398 2HB ARG 52 1HB ARG 52 -27.876 -9.630 -4.989 399 1HG ARG 52 2HG ARG 52 -29.408 -10.302 -6.527 400 2HG ARG 52 1HG ARG 52 -28.183 -9.834 -7.707 401 1HD ARG 52 2HD ARG 52 -29.066 -12.167 -8.069 402 2HD ARG 52 1HD ARG 52 -27.317 -12.133 -7.765 403 HE ARG 52 HE ARG 52 -27.706 -13.134 -5.649 404 1HH1 ARG 52 1HH1 ARG 52 -30.592 -11.926 -7.097 405 1HH2 ARG 52 1HH2 ARG 52 -29.059 -14.065 -4.095 406 2HH2 ARG 52 2HH2 ARG 52 -30.773 -13.845 -4.214 407 H ILE 53 H ILE 53 -26.207 -9.034 -3.799 408 HA ILE 53 HA ILE 53 -26.704 -6.309 -3.570 409 HB ILE 53 HB ILE 53 -25.833 -6.553 -1.397 410 1HG1 ILE 53 2HG1 ILE 53 -24.047 -8.514 -1.107 411 2HG1 ILE 53 1HG1 ILE 53 -23.737 -8.158 -2.806 412 1HG2 ILE 53 1HG2 ILE 53 -26.798 -8.518 -0.711 413 2HG2 ILE 53 2HG2 ILE 53 -25.929 -9.482 -1.906 414 3HG2 ILE 53 3HG2 ILE 53 -27.351 -8.554 -2.386 415 1HD1 ILE 53 1HD1 ILE 53 -23.500 -5.729 -2.174 416 2HD1 ILE 53 2HD1 ILE 53 -22.259 -6.775 -1.484 417 3HD1 ILE 53 3HD1 ILE 53 -23.600 -6.218 -0.483 418 H LEU 54 H LEU 54 -23.512 -7.844 -4.112 419 HA LEU 54 HA LEU 54 -22.031 -5.361 -4.219 420 1HB LEU 54 2HB LEU 54 -21.184 -7.730 -3.832 421 2HB LEU 54 1HB LEU 54 -21.413 -8.012 -5.558 422 HG LEU 54 HG LEU 54 -19.884 -5.578 -4.769 423 1HD1 LEU 54 1HD1 LEU 54 -18.342 -6.714 -3.583 424 2HD1 LEU 54 2HD1 LEU 54 -17.978 -7.637 -5.041 425 3HD1 LEU 54 3HD1 LEU 54 -19.170 -8.241 -3.889 426 1HD2 LEU 54 1HD2 LEU 54 -18.943 -5.835 -6.878 427 2HD2 LEU 54 2HD2 LEU 54 -20.512 -6.595 -7.142 428 3HD2 LEU 54 3HD2 LEU 54 -19.089 -7.591 -6.842 429 H GLU 55 H GLU 55 -23.000 -7.607 -6.817 430 HA GLU 55 HA GLU 55 -22.318 -6.049 -9.051 431 1HB GLU 55 2HB GLU 55 -23.420 -7.718 -10.150 432 2HB GLU 55 1HB GLU 55 -23.567 -8.436 -8.548 433 1HG GLU 55 2HG GLU 55 -25.747 -8.264 -9.820 434 2HG GLU 55 1HG GLU 55 -25.759 -7.483 -8.238 435 H LYS 56 H LYS 56 -25.389 -6.006 -7.206 436 HA LYS 56 HA LYS 56 -26.560 -3.885 -8.818 437 1HB LYS 56 2HB LYS 56 -28.308 -4.824 -7.720 438 2HB LYS 56 1HB LYS 56 -27.220 -5.631 -6.590 439 1HG LYS 56 2HG LYS 56 -27.030 -3.079 -5.687 440 2HG LYS 56 1HG LYS 56 -28.685 -3.070 -6.298 441 1HD LYS 56 2HD LYS 56 -29.203 -5.072 -4.959 442 2HD LYS 56 1HD LYS 56 -27.546 -5.103 -4.356 443 1HE LYS 56 2HE LYS 56 -28.129 -3.657 -2.716 444 2HE LYS 56 1HE LYS 56 -28.595 -2.462 -3.944 445 1HZ LYS 56 1HZ LYS 56 -30.604 -4.176 -4.163 446 2HZ LYS 56 2HZ LYS 56 -30.646 -2.849 -3.101 447 H GLU 57 H GLU 57 -24.625 -4.070 -5.882 448 HA GLU 57 HA GLU 57 -24.942 -1.245 -5.187 449 1HB GLU 57 2HB GLU 57 -24.022 -3.626 -4.006 450 2HB GLU 57 1HB GLU 57 -22.590 -2.605 -4.135 451 1HG GLU 57 2HG GLU 57 -25.081 -2.185 -2.548 452 2HG GLU 57 1HG GLU 57 -23.409 -1.808 -2.134 453 H VAL 58 H VAL 58 -22.309 -3.257 -6.541 454 HA VAL 58 HA VAL 58 -20.715 -0.881 -7.225 455 HB VAL 58 HB VAL 58 -19.711 -3.247 -8.424 456 1HG1 VAL 58 1HG1 VAL 58 -18.749 -2.683 -5.717 457 2HG1 VAL 58 2HG1 VAL 58 -18.870 -1.231 -6.711 458 3HG1 VAL 58 3HG1 VAL 58 -17.889 -2.592 -7.253 459 1HG2 VAL 58 1HG2 VAL 58 -21.207 -3.697 -5.853 460 2HG2 VAL 58 2HG2 VAL 58 -19.734 -4.612 -6.177 461 3HG2 VAL 58 3HG2 VAL 58 -21.107 -4.734 -7.276 462 H LEU 59 H LEU 59 -22.373 -3.513 -9.031 463 HA LEU 59 HA LEU 59 -21.849 -2.896 -11.658 464 1HB LEU 59 2HB LEU 59 -23.432 -4.626 -10.830 465 2HB LEU 59 1HB LEU 59 -24.595 -3.355 -10.442 466 HG LEU 59 HG LEU 59 -25.000 -4.475 -12.667 467 1HD1 LEU 59 1HD1 LEU 59 -24.303 -1.681 -13.367 468 2HD1 LEU 59 2HD1 LEU 59 -25.312 -1.871 -11.933 469 3HD1 LEU 59 3HD1 LEU 59 -25.852 -2.517 -13.482 470 1HD2 LEU 59 1HD2 LEU 59 -22.447 -3.009 -13.410 471 2HD2 LEU 59 2HD2 LEU 59 -23.480 -3.923 -14.509 472 3HD2 LEU 59 3HD2 LEU 59 -22.589 -4.758 -13.238 473 H LYS 60 H LYS 60 -24.214 -1.183 -9.594 474 HA LYS 60 HA LYS 60 -24.884 0.805 -11.602 475 1HB LYS 60 2HB LYS 60 -25.435 0.159 -8.775 476 2HB LYS 60 1HB LYS 60 -25.464 1.886 -9.129 477 1HG LYS 60 2HG LYS 60 -26.982 1.358 -11.088 478 2HG LYS 60 1HG LYS 60 -27.091 -0.289 -10.465 479 1HD LYS 60 2HD LYS 60 -27.611 1.953 -8.560 480 2HD LYS 60 1HD LYS 60 -28.857 1.579 -9.752 481 1HE LYS 60 2HE LYS 60 -28.524 0.263 -7.328 482 2HE LYS 60 1HE LYS 60 -29.404 -0.389 -8.724 483 1HZ LYS 60 1HZ LYS 60 -27.234 -1.550 -7.681 484 2HZ LYS 60 2HZ LYS 60 -27.695 -1.709 -9.307 485 H GLU 61 H GLU 61 -22.177 0.238 -9.671 486 HA GLU 61 HA GLU 61 -21.305 3.106 -9.788 487 1HB GLU 61 2HB GLU 61 -21.508 1.578 -7.623 488 2HB GLU 61 1HB GLU 61 -19.944 0.975 -8.173 489 1HG GLU 61 2HG GLU 61 -19.607 2.848 -6.634 490 2HG GLU 61 1HG GLU 61 -19.103 3.316 -8.258 491 H THR 62 H THR 62 -18.524 2.473 -9.435 492 HA THR 62 HA THR 62 -17.903 1.472 -12.176 493 HB THR 62 HB THR 62 -16.182 2.960 -10.169 494 HG1 THR 62 1HG THR 62 -16.840 4.644 -11.917 495 1HG2 THR 62 1HG2 THR 62 -15.622 1.740 -12.663 496 2HG2 THR 62 2HG2 THR 62 -14.570 2.800 -11.724 497 3HG2 THR 62 3HG2 THR 62 -15.642 3.481 -12.947 498 H HIS 63 H HIS 63 -18.519 -0.562 -10.317 499 HA HIS 63 HA HIS 63 -16.225 -1.591 -8.910 500 1HB HIS 63 2HB HIS 63 -17.689 -3.312 -8.402 501 2HB HIS 63 1HB HIS 63 -18.857 -2.105 -8.942 502 HD1 HIS 63 1HD HIS 63 -16.802 -4.959 -10.425 503 HD2 HIS 63 2HD HIS 63 -20.411 -2.969 -11.060 504 HE1 HIS 63 1HE HIS 63 -17.977 -6.185 -12.306 505 H GLU 64 H GLU 64 -14.566 -2.927 -9.652 506 HA GLU 64 HA GLU 64 -14.722 -3.880 -12.491 507 1HB GLU 64 2HB GLU 64 -12.838 -2.049 -11.113 508 2HB GLU 64 1HB GLU 64 -12.096 -3.247 -12.177 509 1HG GLU 64 2HG GLU 64 -14.076 -1.082 -12.868 510 2HG GLU 64 1HG GLU 64 -12.529 -1.450 -13.632 511 H LYS 65 H LYS 65 -13.736 -5.891 -12.850 512 HA LYS 65 HA LYS 65 -12.925 -7.403 -10.414 513 1HB LYS 65 2HB LYS 65 -13.499 -8.312 -13.255 514 2HB LYS 65 1HB LYS 65 -13.378 -9.343 -11.829 515 1HG LYS 65 2HG LYS 65 -15.339 -7.085 -11.771 516 2HG LYS 65 1HG LYS 65 -15.745 -8.516 -12.720 517 1HD LYS 65 2HD LYS 65 -14.760 -9.583 -10.356 518 2HD LYS 65 1HD LYS 65 -15.672 -8.174 -9.814 519 1HE LYS 65 2HE LYS 65 -17.684 -8.951 -10.868 520 2HE LYS 65 1HE LYS 65 -16.804 -10.212 -11.756 521 1HZ LYS 65 1HZ LYS 65 -16.214 -10.350 -8.991 522 2HZ LYS 65 2HZ LYS 65 -16.885 -11.544 -9.995 523 H VAL 66 H VAL 66 -10.793 -8.016 -10.133 524 HA VAL 66 HA VAL 66 -8.911 -7.528 -12.423 525 HB VAL 66 HB VAL 66 -7.612 -7.478 -9.874 526 1HG1 VAL 66 1HG1 VAL 66 -8.316 -5.437 -11.990 527 2HG1 VAL 66 2HG1 VAL 66 -6.757 -6.205 -11.692 528 3HG1 VAL 66 3HG1 VAL 66 -7.382 -5.008 -10.557 529 1HG2 VAL 66 1HG2 VAL 66 -8.925 -6.186 -8.508 530 2HG2 VAL 66 2HG2 VAL 66 -10.232 -6.949 -9.414 531 3HG2 VAL 66 3HG2 VAL 66 -9.673 -5.337 -9.860 532 H GLN 67 H GLN 67 -7.875 -9.349 -13.107 533 HA GLN 67 HA GLN 67 -7.292 -11.517 -11.141 534 1HB GLN 67 2HB GLN 67 -8.087 -13.031 -13.167 535 2HB GLN 67 1HB GLN 67 -9.273 -12.356 -12.049 536 1HG GLN 67 2HG GLN 67 -8.438 -10.861 -14.533 537 2HG GLN 67 1HG GLN 67 -9.726 -12.065 -14.577 538 1HE2 GLN 67 1HE2 GLN 67 -10.174 -11.113 -11.563 539 2HE2 GLN 67 2HE2 GLN 67 -11.166 -9.752 -11.770 540 H GLY 68 H GLY 68 -5.870 -13.245 -12.373 541 1HA GLY 68 2HA GLY 68 -4.051 -13.742 -13.811 542 2HA GLY 68 1HA GLY 68 -4.291 -12.184 -14.603 543 H GLY 69 H GLY 69 -4.270 -11.581 -11.349 544 1HA GLY 69 2HA GLY 69 -2.404 -11.270 -9.814 545 2HA GLY 69 1HA GLY 69 -1.305 -11.350 -11.192 546 H PHE 70 H PHE 70 -3.510 -9.535 -12.537 547 HA PHE 70 HA PHE 70 -2.206 -6.999 -11.690 548 1HB PHE 70 2HB PHE 70 -2.195 -6.882 -13.958 549 2HB PHE 70 1HB PHE 70 -3.384 -8.177 -14.100 550 HD1 PHE 70 1HD PHE 70 -4.842 -7.211 -15.738 551 HD2 PHE 70 2HD PHE 70 -3.828 -5.031 -12.178 552 HE1 PHE 70 1HE PHE 70 -6.601 -5.541 -16.259 553 HE2 PHE 70 2HE PHE 70 -5.587 -3.363 -12.698 554 HZ PHE 70 HZ PHE 70 -6.973 -3.617 -14.738 555 H GLY 71 H GLY 71 -3.358 -6.510 -9.746 556 1HA GLY 71 2HA GLY 71 -5.094 -5.281 -8.689 557 2HA GLY 71 1HA GLY 71 -6.044 -5.403 -10.172 558 H LYS 72 H LYS 72 -4.714 -8.375 -9.144 559 HA LYS 72 HA LYS 72 -7.339 -9.524 -8.683 560 1HB LYS 72 2HB LYS 72 -5.964 -11.190 -9.405 561 2HB LYS 72 1HB LYS 72 -4.518 -10.328 -8.879 562 1HG LYS 72 2HG LYS 72 -6.389 -11.891 -7.074 563 2HG LYS 72 1HG LYS 72 -4.797 -12.427 -7.611 564 1HD LYS 72 2HD LYS 72 -5.505 -10.236 -5.684 565 2HD LYS 72 1HD LYS 72 -4.287 -11.503 -5.532 566 1HE LYS 72 2HE LYS 72 -3.584 -9.983 -7.831 567 2HE LYS 72 1HE LYS 72 -3.940 -8.828 -6.531 568 1HZ LYS 72 1HZ LYS 72 -2.315 -9.658 -5.209 569 2HZ LYS 72 2HZ LYS 72 -1.620 -10.079 -6.699 570 H TYR 73 H TYR 73 -5.176 -7.760 -6.744 571 HA TYR 73 HA TYR 73 -5.855 -9.020 -4.185 572 1HB TYR 73 2HB TYR 73 -4.044 -7.031 -5.281 573 2HB TYR 73 1HB TYR 73 -4.828 -6.412 -3.828 574 HD1 TYR 73 1HD TYR 73 -5.288 -9.180 -2.542 575 HD2 TYR 73 2HD TYR 73 -1.842 -7.332 -4.317 576 HE1 TYR 73 1HE TYR 73 -3.809 -10.594 -1.141 577 HE2 TYR 73 2HE TYR 73 -0.362 -8.746 -2.917 578 HH TYR 73 HH TYR 73 -0.571 -9.969 -0.679 579 H GLN 74 H GLN 74 -7.076 -6.482 -6.262 580 HA GLN 74 HA GLN 74 -8.852 -5.410 -4.135 581 1HB GLN 74 2HB GLN 74 -9.473 -3.908 -6.163 582 2HB GLN 74 1HB GLN 74 -7.845 -3.756 -5.501 583 1HG GLN 74 2HG GLN 74 -8.041 -5.867 -7.516 584 2HG GLN 74 1HG GLN 74 -8.462 -4.279 -8.156 585 1HE2 GLN 74 1HE2 GLN 74 -5.831 -6.242 -6.922 586 2HE2 GLN 74 2HE2 GLN 74 -4.604 -5.096 -7.165 587 H GLY 75 H GLY 75 -9.107 -6.927 -7.371 588 1HA GLY 75 2HA GLY 75 -10.792 -8.327 -8.230 589 2HA GLY 75 1HA GLY 75 -11.459 -8.429 -6.600 590 H THR 76 H THR 76 -12.636 -6.421 -5.851 591 HA THR 76 HA THR 76 -14.027 -5.068 -8.139 592 HB THR 76 HB THR 76 -15.322 -5.823 -5.517 593 HG1 THR 76 1HG THR 76 -15.963 -7.741 -6.532 594 1HG2 THR 76 1HG2 THR 76 -16.562 -5.679 -8.259 595 2HG2 THR 76 2HG2 THR 76 -16.323 -4.222 -7.294 596 3HG2 THR 76 3HG2 THR 76 -17.345 -5.525 -6.686 597 H TRP 77 H TRP 77 -12.211 -3.433 -7.496 598 HA TRP 77 HA TRP 77 -12.477 -2.051 -4.949 599 1HB TRP 77 2HB TRP 77 -11.014 -0.377 -6.398 600 2HB TRP 77 1HB TRP 77 -10.346 -1.922 -5.872 601 HD1 TRP 77 HD TRP 77 -12.912 -2.436 -8.468 602 HE1 TRP 77 1HE TRP 77 -11.813 -2.912 -10.751 603 HE3 TRP 77 3HE TRP 77 -8.093 -1.114 -7.419 604 HZ2 TRP 77 2HZ TRP 77 -9.232 -2.752 -11.972 605 HZ3 TRP 77 3HZ TRP 77 -6.335 -1.285 -9.158 606 HH2 TRP 77 HH TRP 77 -6.898 -2.101 -11.431 607 H VAL 78 H VAL 78 -13.186 0.191 -4.730 608 HA VAL 78 HA VAL 78 -14.955 1.217 -6.905 609 HB VAL 78 HB VAL 78 -16.156 1.603 -4.311 610 1HG1 VAL 78 1HG1 VAL 78 -17.703 -0.211 -5.724 611 2HG1 VAL 78 2HG1 VAL 78 -16.813 0.626 -6.996 612 3HG1 VAL 78 3HG1 VAL 78 -17.805 1.544 -5.863 613 1HG2 VAL 78 1HG2 VAL 78 -15.076 -0.332 -3.461 614 2HG2 VAL 78 2HG2 VAL 78 -15.220 -1.187 -4.996 615 3HG2 VAL 78 3HG2 VAL 78 -16.650 -0.916 -4.001 616 HA PRO 79 HA PRO 79 -13.481 5.222 -5.934 617 1HB PRO 79 2HB PRO 79 -16.222 6.146 -5.259 618 2HB PRO 79 1HB PRO 79 -15.109 6.745 -6.502 619 1HG PRO 79 2HG PRO 79 -17.280 5.275 -7.093 620 2HG PRO 79 1HG PRO 79 -15.791 5.215 -8.047 621 1HD PRO 79 2HD PRO 79 -16.894 3.225 -6.151 622 2HD PRO 79 1HD PRO 79 -15.856 2.987 -7.574 623 H LEU 80 H LEU 80 -12.357 5.193 -3.983 624 HA LEU 80 HA LEU 80 -13.235 4.390 -1.459 625 1HB LEU 80 2HB LEU 80 -10.927 4.843 -1.897 626 2HB LEU 80 1HB LEU 80 -11.276 6.502 -2.384 627 HG LEU 80 HG LEU 80 -10.314 6.122 -0.009 628 1HD1 LEU 80 1HD1 LEU 80 -12.924 7.645 -0.270 629 2HD1 LEU 80 2HD1 LEU 80 -11.373 8.232 -0.872 630 3HD1 LEU 80 3HD1 LEU 80 -11.611 7.983 0.858 631 1HD2 LEU 80 1HD2 LEU 80 -13.195 5.594 0.691 632 2HD2 LEU 80 2HD2 LEU 80 -11.751 5.322 1.666 633 3HD2 LEU 80 3HD2 LEU 80 -12.118 4.249 0.316 634 H ASN 81 H ASN 81 -13.770 7.494 -3.076 635 HA ASN 81 HA ASN 81 -14.684 9.008 -0.829 636 1HB ASN 81 2HB ASN 81 -15.690 9.179 -3.681 637 2HB ASN 81 1HB ASN 81 -15.499 10.496 -2.523 638 1HD2 ASN 81 1HD2 ASN 81 -14.090 11.508 -4.261 639 2HD2 ASN 81 2HD2 ASN 81 -12.470 11.017 -4.379 640 H ILE 82 H ILE 82 -16.234 6.593 -2.851 641 HA ILE 82 HA ILE 82 -18.809 7.005 -1.369 642 HB ILE 82 HB ILE 82 -18.014 6.170 -4.126 643 1HG1 ILE 82 2HG1 ILE 82 -20.400 7.665 -2.990 644 2HG1 ILE 82 1HG1 ILE 82 -18.930 8.421 -3.609 645 1HG2 ILE 82 1HG2 ILE 82 -20.469 5.145 -2.673 646 2HG2 ILE 82 2HG2 ILE 82 -19.178 4.174 -3.380 647 3HG2 ILE 82 3HG2 ILE 82 -20.263 5.091 -4.424 648 1HD1 ILE 82 1HD1 ILE 82 -20.834 8.329 -5.270 649 2HD1 ILE 82 2HD1 ILE 82 -20.674 6.572 -5.255 650 3HD1 ILE 82 3HD1 ILE 82 -19.340 7.574 -5.828 651 H ALA 83 H ALA 83 -16.321 4.689 -2.313 652 HA ALA 83 HA ALA 83 -17.581 2.287 -1.407 653 1HB ALA 83 1HB ALA 83 -15.342 2.903 -2.740 654 2HB ALA 83 2HB ALA 83 -15.497 1.377 -1.868 655 3HB ALA 83 3HB ALA 83 -14.634 2.730 -1.135 656 H LYS 84 H LYS 84 -15.090 4.286 0.258 657 HA LYS 84 HA LYS 84 -15.331 2.955 2.779 658 1HB LYS 84 2HB LYS 84 -13.889 4.684 3.513 659 2HB LYS 84 1HB LYS 84 -13.538 4.557 1.788 660 1HG LYS 84 2HG LYS 84 -15.327 6.367 1.453 661 2HG LYS 84 1HG LYS 84 -15.234 6.624 3.196 662 1HD LYS 84 2HD LYS 84 -12.563 6.538 2.321 663 2HD LYS 84 1HD LYS 84 -13.413 7.516 1.124 664 1HE LYS 84 2HE LYS 84 -14.495 8.562 3.369 665 2HE LYS 84 1HE LYS 84 -12.909 8.080 4.003 666 1HZ LYS 84 1HZ LYS 84 -13.336 9.609 1.490 667 2HZ LYS 84 2HZ LYS 84 -11.839 9.201 2.181 668 H GLN 85 H GLN 85 -17.124 5.628 1.318 669 HA GLN 85 HA GLN 85 -18.418 6.536 3.735 670 1HB GLN 85 2HB GLN 85 -18.365 7.999 1.871 671 2HB GLN 85 1HB GLN 85 -18.915 6.742 0.764 672 1HG GLN 85 2HG GLN 85 -21.119 6.722 1.880 673 2HG GLN 85 1HG GLN 85 -20.572 7.990 2.978 674 1HE2 GLN 85 1HE2 GLN 85 -19.835 7.777 -0.520 675 2HE2 GLN 85 2HE2 GLN 85 -20.645 9.209 -0.939 676 H LEU 86 H LEU 86 -18.970 3.887 1.531 677 HA LEU 86 HA LEU 86 -21.715 3.388 2.500 678 1HB LEU 86 2HB LEU 86 -20.458 2.979 0.156 679 2HB LEU 86 1HB LEU 86 -20.173 1.409 0.906 680 HG LEU 86 HG LEU 86 -22.877 2.737 0.576 681 1HD1 LEU 86 1HD1 LEU 86 -21.288 0.890 -1.076 682 2HD1 LEU 86 2HD1 LEU 86 -22.674 1.887 -1.520 683 3HD1 LEU 86 3HD1 LEU 86 -22.925 0.322 -0.746 684 1HD2 LEU 86 1HD2 LEU 86 -23.379 1.395 2.343 685 2HD2 LEU 86 2HD2 LEU 86 -21.887 0.470 2.177 686 3HD2 LEU 86 3HD2 LEU 86 -23.282 0.080 1.171 687 H ALA 87 H ALA 87 -18.491 1.885 2.724 688 HA ALA 87 HA ALA 87 -19.451 -0.178 4.595 689 1HB ALA 87 1HB ALA 87 -16.663 -0.180 4.526 690 2HB ALA 87 2HB ALA 87 -17.119 0.432 2.936 691 3HB ALA 87 3HB ALA 87 -17.719 -1.133 3.483 692 H GLU 88 H GLU 88 -16.892 2.347 4.789 693 HA GLU 88 HA GLU 88 -16.149 2.342 7.381 694 1HB GLU 88 2HB GLU 88 -15.399 4.398 6.832 695 2HB GLU 88 1HB GLU 88 -16.209 4.149 5.292 696 1HG GLU 88 2HG GLU 88 -17.894 5.090 7.559 697 2HG GLU 88 1HG GLU 88 -16.764 6.254 6.867 698 H LYS 89 H LYS 89 -19.409 2.990 6.284 699 HA LYS 89 HA LYS 89 -20.387 4.258 8.692 700 1HB LYS 89 2HB LYS 89 -21.366 4.184 6.316 701 2HB LYS 89 1HB LYS 89 -21.927 2.559 6.715 702 1HG LYS 89 2HG LYS 89 -23.363 4.828 7.206 703 2HG LYS 89 1HG LYS 89 -23.555 3.326 8.110 704 1HD LYS 89 2HD LYS 89 -21.562 4.282 9.546 705 2HD LYS 89 1HD LYS 89 -22.096 5.829 8.889 706 1HE LYS 89 2HE LYS 89 -23.700 3.877 10.565 707 2HE LYS 89 1HE LYS 89 -23.339 5.579 10.914 708 1HZ LYS 89 1HZ LYS 89 -25.590 5.200 9.944 709 2HZ LYS 89 2HZ LYS 89 -24.836 4.672 8.516 710 H PHE 90 H PHE 90 -22.070 1.396 7.759 711 HA PHE 90 HA PHE 90 -21.414 0.148 10.404 712 1HB PHE 90 2HB PHE 90 -23.784 0.958 9.618 713 2HB PHE 90 1HB PHE 90 -23.774 -0.520 8.655 714 HD1 PHE 90 1HD PHE 90 -21.802 -0.668 11.664 715 HD2 PHE 90 2HD PHE 90 -25.773 -1.184 10.111 716 HE1 PHE 90 1HE PHE 90 -22.416 -1.985 13.675 717 HE2 PHE 90 2HE PHE 90 -26.388 -2.501 12.121 718 HZ PHE 90 HZ PHE 90 -24.710 -2.902 13.902 719 H SER 91 H SER 91 -20.638 -0.120 7.185 720 HA SER 91 HA SER 91 -20.889 -2.965 6.754 721 1HB SER 91 2HB SER 91 -20.010 -2.418 4.691 722 2HB SER 91 1HB SER 91 -20.502 -0.808 5.207 723 HG SER 91 HG SER 91 -18.023 -1.815 4.770 724 H VAL 92 H VAL 92 -17.797 -1.191 6.766 725 HA VAL 92 HA VAL 92 -16.648 -3.401 8.441 726 HB VAL 92 HB VAL 92 -14.656 -2.031 6.935 727 1HG1 VAL 92 1HG1 VAL 92 -14.427 -4.227 5.846 728 2HG1 VAL 92 2HG1 VAL 92 -16.004 -4.709 6.471 729 3HG1 VAL 92 3HG1 VAL 92 -14.665 -4.421 7.583 730 1HG2 VAL 92 1HG2 VAL 92 -15.507 -2.246 4.655 731 2HG2 VAL 92 2HG2 VAL 92 -16.578 -1.187 5.573 732 3HG2 VAL 92 3HG2 VAL 92 -17.047 -2.858 5.259 733 H TYR 93 H TYR 93 -17.691 -0.382 8.819 734 HA TYR 93 HA TYR 93 -15.772 1.395 9.639 735 1HB TYR 93 2HB TYR 93 -17.641 2.331 10.495 736 2HB TYR 93 1HB TYR 93 -18.492 0.816 10.190 737 HD1 TYR 93 1HD TYR 93 -18.396 -1.020 11.955 738 HD2 TYR 93 2HD TYR 93 -17.126 3.014 12.707 739 HE1 TYR 93 1HE TYR 93 -18.565 -1.423 14.396 740 HE2 TYR 93 2HE TYR 93 -17.296 2.612 15.148 741 HH TYR 93 HH TYR 93 -18.798 -0.219 16.444 742 H ASP 94 H ASP 94 -16.517 -1.685 11.167 743 HA ASP 94 HA ASP 94 -14.773 -1.114 13.491 744 1HB ASP 94 2HB ASP 94 -16.101 -2.685 14.434 745 2HB ASP 94 1HB ASP 94 -17.025 -2.698 12.931 746 H GLN 95 H GLN 95 -14.945 -3.741 11.052 747 HA GLN 95 HA GLN 95 -12.388 -4.845 11.533 748 1HB GLN 95 2HB GLN 95 -13.175 -4.899 8.737 749 2HB GLN 95 1HB GLN 95 -13.142 -6.219 9.906 750 1HG GLN 95 2HG GLN 95 -15.300 -5.031 10.854 751 2HG GLN 95 1HG GLN 95 -15.386 -4.349 9.229 752 1HE2 GLN 95 1HE2 GLN 95 -15.386 -5.979 7.389 753 2HE2 GLN 95 2HE2 GLN 95 -16.060 -7.512 7.667 754 H LEU 96 H LEU 96 -13.331 -2.279 9.220 755 HA LEU 96 HA LEU 96 -10.559 -1.914 8.326 756 1HB LEU 96 2HB LEU 96 -11.894 0.166 7.291 757 2HB LEU 96 1HB LEU 96 -12.074 -1.463 6.636 758 HG LEU 96 HG LEU 96 -14.037 -1.811 8.133 759 1HD1 LEU 96 1HD1 LEU 96 -13.564 -0.295 9.929 760 2HD1 LEU 96 2HD1 LEU 96 -15.015 0.317 9.133 761 3HD1 LEU 96 3HD1 LEU 96 -13.453 1.077 8.826 762 1HD2 LEU 96 1HD2 LEU 96 -14.319 -0.997 5.800 763 2HD2 LEU 96 2HD2 LEU 96 -14.230 0.664 6.386 764 3HD2 LEU 96 3HD2 LEU 96 -15.573 -0.371 6.869 765 H LYS 97 H LYS 97 -11.123 -1.492 11.222 766 HA LYS 97 HA LYS 97 -11.286 1.280 11.890 767 1HB LYS 97 2HB LYS 97 -11.454 0.080 13.811 768 2HB LYS 97 1HB LYS 97 -10.596 -1.294 13.110 769 1HG LYS 97 2HG LYS 97 -8.455 -0.290 13.571 770 2HG LYS 97 1HG LYS 97 -9.210 1.232 14.044 771 1HD LYS 97 2HD LYS 97 -8.704 -1.118 15.653 772 2HD LYS 97 1HD LYS 97 -9.273 0.471 16.163 773 1HE LYS 97 2HE LYS 97 -11.571 -0.118 15.742 774 2HE LYS 97 1HE LYS 97 -11.094 -1.619 14.923 775 1HZ LYS 97 1HZ LYS 97 -10.001 -1.205 17.586 776 2HZ LYS 97 2HZ LYS 97 -11.670 -1.511 17.519 777 HA PRO 98 HA PRO 98 -6.455 1.212 11.988 778 1HB PRO 98 2HB PRO 98 -5.764 -1.225 10.478 779 2HB PRO 98 1HB PRO 98 -5.152 -0.666 12.045 780 1HG PRO 98 2HG PRO 98 -6.816 -2.778 11.780 781 2HG PRO 98 1HG PRO 98 -6.780 -1.742 13.215 782 1HD PRO 98 2HD PRO 98 -8.768 -1.842 11.009 783 2HD PRO 98 1HD PRO 98 -8.996 -1.462 12.732 784 H LEU 99 H LEU 99 -7.495 -0.652 9.094 785 HA LEU 99 HA LEU 99 -6.004 0.646 7.124 786 1HB LEU 99 2HB LEU 99 -7.904 -1.257 7.201 787 2HB LEU 99 1HB LEU 99 -8.880 0.071 6.577 788 HG LEU 99 HG LEU 99 -7.878 -1.212 4.728 789 1HD1 LEU 99 1HD1 LEU 99 -8.181 1.024 4.103 790 2HD1 LEU 99 2HD1 LEU 99 -6.463 0.784 3.783 791 3HD1 LEU 99 3HD1 LEU 99 -6.980 1.611 5.253 792 1HD2 LEU 99 1HD2 LEU 99 -5.459 -0.818 6.402 793 2HD2 LEU 99 2HD2 LEU 99 -5.220 -0.646 4.663 794 3HD2 LEU 99 3HD2 LEU 99 -5.873 -2.147 5.319 795 H PHE 100 H PHE 100 -8.917 1.794 8.771 796 HA PHE 100 HA PHE 100 -9.234 4.113 6.994 797 1HB PHE 100 2HB PHE 100 -10.617 2.756 9.207 798 2HB PHE 100 1HB PHE 100 -10.770 4.512 9.257 799 HD1 PHE 100 1HD PHE 100 -11.347 1.490 7.183 800 HD2 PHE 100 2HD PHE 100 -12.041 5.708 7.606 801 HE1 PHE 100 1HE PHE 100 -13.025 1.398 5.359 802 HE2 PHE 100 2HE PHE 100 -13.720 5.615 5.783 803 HZ PHE 100 HZ PHE 100 -14.211 3.460 4.659 804 H ASP 101 H ASP 101 -7.799 3.415 10.149 805 HA ASP 101 HA ASP 101 -7.318 6.280 10.704 806 1HB ASP 101 2HB ASP 101 -6.943 3.640 12.100 807 2HB ASP 101 1HB ASP 101 -6.135 5.082 12.719 808 H PHE 102 H PHE 102 -5.341 3.330 10.188 809 HA PHE 102 HA PHE 102 -3.365 3.562 8.641 810 1HB PHE 102 2HB PHE 102 -3.155 6.146 10.226 811 2HB PHE 102 1HB PHE 102 -2.054 5.645 8.943 812 HD1 PHE 102 1HD PHE 102 -3.886 8.174 9.072 813 HD2 PHE 102 2HD PHE 102 -4.315 4.307 7.253 814 HE1 PHE 102 1HE PHE 102 -5.416 9.141 7.377 815 HE2 PHE 102 2HE PHE 102 -5.845 5.274 5.558 816 HZ PHE 102 HZ PHE 102 -6.396 7.691 5.620 817 H THR 103 H THR 103 -2.058 1.979 9.492 818 HA THR 103 HA THR 103 -1.535 1.774 12.353 819 HB THR 103 HB THR 103 -1.790 -0.209 11.006 820 HG1 THR 103 1HG THR 103 0.543 -0.990 11.162 821 1HG2 THR 103 1HG2 THR 103 0.639 0.423 9.375 822 2HG2 THR 103 2HG2 THR 103 -0.896 1.169 8.931 823 3HG2 THR 103 3HG2 THR 103 -0.748 -0.588 8.970 824 H GLN 104 H GLN 104 -0.024 3.044 13.341 825 HA GLN 104 HA GLN 104 2.171 4.267 11.787 826 1HB GLN 104 2HB GLN 104 0.997 5.649 13.362 827 2HB GLN 104 1HB GLN 104 1.154 4.438 14.635 828 1HG GLN 104 2HG GLN 104 3.774 4.830 13.964 829 2HG GLN 104 1HG GLN 104 3.110 6.442 13.694 830 1HE2 GLN 104 1HE2 GLN 104 1.109 6.500 15.718 831 2HE2 GLN 104 2HE2 GLN 104 1.866 6.435 17.236 832 H THR 105 H THR 105 4.430 4.080 12.610 833 HA THR 105 HA THR 105 5.102 1.290 13.236 834 HB THR 105 HB THR 105 6.522 3.834 12.505 835 HG1 THR 105 1HG THR 105 6.851 1.229 11.483 836 1HG2 THR 105 1HG2 THR 105 8.324 1.574 12.857 837 2HG2 THR 105 2HG2 THR 105 7.594 2.070 14.383 838 3HG2 THR 105 3HG2 THR 105 8.495 3.238 13.417 839 H ASP 106 H ASP 106 5.853 0.540 15.213 840 HA ASP 106 HA ASP 106 5.215 1.722 17.657 841 1HB ASP 106 2HB ASP 106 7.084 -0.346 16.642 842 2HB ASP 106 1HB ASP 106 7.429 0.255 18.264 843 H GLY 107 H GLY 107 6.746 3.541 15.694 844 1HA GLY 107 2HA GLY 107 7.918 5.557 16.315 845 2HA GLY 107 1HA GLY 107 8.506 4.736 17.762 846 H SER 108 H SER 108 9.035 2.384 15.730 847 HA SER 108 HA SER 108 11.843 3.151 15.255 848 1HB SER 108 2HB SER 108 10.588 0.866 16.006 849 2HB SER 108 1HB SER 108 10.699 0.587 14.270 850 HG SER 108 HG SER 108 13.014 1.555 14.979 851 H ALA 109 H ALA 109 12.660 3.702 13.241 852 HA ALA 109 HA ALA 109 11.240 4.712 11.127 853 1HB ALA 109 1HB ALA 109 13.525 2.936 10.420 854 2HB ALA 109 2HB ALA 109 13.833 4.170 11.641 855 3HB ALA 109 3HB ALA 109 13.269 4.637 10.037 856 H SER 110 H SER 110 9.502 3.812 10.086 857 HA SER 110 HA SER 110 9.634 0.899 9.372 858 1HB SER 110 2HB SER 110 7.386 2.774 10.130 859 2HB SER 110 1HB SER 110 7.075 1.224 9.355 860 HG SER 110 HG SER 110 8.629 0.501 11.165 861 HA PRO 111 HA PRO 111 9.861 2.704 5.274 862 1HB PRO 111 2HB PRO 111 9.885 0.239 3.994 863 2HB PRO 111 1HB PRO 111 11.326 1.065 4.616 864 1HG PRO 111 2HG PRO 111 9.778 -1.175 5.785 865 2HG PRO 111 1HG PRO 111 11.513 -0.839 5.859 866 1HD PRO 111 2HD PRO 111 9.811 -0.396 7.936 867 2HD PRO 111 1HD PRO 111 11.302 0.537 7.676 868 HA PRO 112 HA PRO 112 5.412 1.970 4.841 869 1HB PRO 112 2HB PRO 112 4.811 4.499 4.035 870 2HB PRO 112 1HB PRO 112 5.054 4.076 5.741 871 1HG PRO 112 2HG PRO 112 6.851 5.502 3.876 872 2HG PRO 112 1HG PRO 112 6.671 5.672 5.626 873 1HD PRO 112 2HD PRO 112 8.707 4.278 4.306 874 2HD PRO 112 1HD PRO 112 8.305 4.163 6.033 875 HA PRO 113 HA PRO 113 5.895 1.198 0.482 876 1HB PRO 113 2HB PRO 113 3.308 0.324 0.067 877 2HB PRO 113 1HB PRO 113 4.608 -0.695 0.716 878 1HG PRO 113 2HG PRO 113 2.398 0.682 2.133 879 2HG PRO 113 1HG PRO 113 3.161 -0.878 2.472 880 1HD PRO 113 2HD PRO 113 3.663 1.389 3.901 881 2HD PRO 113 1HD PRO 113 4.835 0.065 3.714 882 H ALA 114 H ALA 114 2.603 2.374 1.267 883 HA ALA 114 HA ALA 114 1.769 3.751 -0.849 884 1HB ALA 114 1HB ALA 114 2.091 4.986 1.905 885 2HB ALA 114 2HB ALA 114 0.805 3.879 1.428 886 3HB ALA 114 3HB ALA 114 0.909 5.478 0.693 887 HA PRO 115 HA PRO 115 5.213 6.099 -2.391 888 1HB PRO 115 2HB PRO 115 3.044 7.625 -3.735 889 2HB PRO 115 1HB PRO 115 4.449 6.804 -4.442 890 1HG PRO 115 2HG PRO 115 1.957 5.819 -4.630 891 2HG PRO 115 1HG PRO 115 3.392 4.788 -4.545 892 1HD PRO 115 2HD PRO 115 1.334 5.322 -2.487 893 2HD PRO 115 1HD PRO 115 2.359 3.891 -2.727 894 H LYS 116 H LYS 116 5.823 8.458 -2.410 895 HA LYS 116 HA LYS 116 4.800 9.795 0.024 896 1HB LYS 116 2HB LYS 116 7.142 10.003 -1.841 897 2HB LYS 116 1HB LYS 116 6.750 11.388 -0.822 898 1HG LYS 116 2HG LYS 116 8.327 10.019 0.390 899 2HG LYS 116 1HG LYS 116 6.751 9.825 1.159 900 1HD LYS 116 2HD LYS 116 6.435 7.781 -0.360 901 2HD LYS 116 1HD LYS 116 8.162 7.907 -0.702 902 1HE LYS 116 2HE LYS 116 7.962 6.371 1.142 903 2HE LYS 116 1HE LYS 116 8.506 7.904 1.853 904 1HZ LYS 116 1HZ LYS 116 5.629 7.437 1.491 905 2HZ LYS 116 2HZ LYS 116 6.427 8.390 2.647 906 H HIS 117 H HIS 117 2.706 10.527 -0.742 907 HA HIS 117 HA HIS 117 2.772 12.516 -2.977 908 1HB HIS 117 2HB HIS 117 0.629 11.798 -3.448 909 2HB HIS 117 1HB HIS 117 1.219 10.344 -2.641 910 HD1 HIS 117 1HD HIS 117 0.505 10.003 -0.126 911 HD2 HIS 117 2HD HIS 117 -1.340 13.226 -2.022 912 HE1 HIS 117 1HE HIS 117 -1.431 10.692 1.354 913 H HIS 118 H HIS 118 2.494 14.656 -2.462 914 HA HIS 118 HA HIS 118 1.938 15.383 0.361 915 1HB HIS 118 2HB HIS 118 2.736 16.983 -2.096 916 2HB HIS 118 1HB HIS 118 2.676 17.615 -0.450 917 HD1 HIS 118 1HD HIS 118 5.311 17.291 -2.271 918 HD2 HIS 118 2HD HIS 118 4.133 14.780 0.842 919 HE1 HIS 118 1HE HIS 118 7.407 16.125 -1.458 920 H HIS 119 H HIS 119 0.253 16.955 0.870 921 HA HIS 119 HA HIS 119 -2.253 16.504 -0.461 922 1HB HIS 119 2HB HIS 119 -3.078 18.018 1.190 923 2HB HIS 119 1HB HIS 119 -1.705 17.217 1.953 924 HD1 HIS 119 1HD HIS 119 -3.033 20.447 1.715 925 HD2 HIS 119 2HD HIS 119 0.814 18.941 1.159 926 HE1 HIS 119 1HE HIS 119 -1.453 22.409 1.967 927 H ALA 120 H ALA 120 -2.702 17.286 -2.485 928 HA ALA 120 HA ALA 120 -1.316 19.290 -3.898 929 1HB ALA 120 1HB ALA 120 -3.032 17.552 -4.666 930 2HB ALA 120 2HB ALA 120 -3.165 19.141 -5.420 931 3HB ALA 120 3HB ALA 120 -4.274 18.682 -4.128 932 H SER 121 H SER 121 -1.584 21.534 -4.084 933 HA SER 121 HA SER 121 -3.394 22.810 -2.061 934 1HB SER 121 2HB SER 121 -1.355 23.631 -1.449 935 2HB SER 121 1HB SER 121 -0.621 23.190 -2.988 936 HG SER 121 HG SER 121 -2.167 25.056 -3.687 937 H LYS 122 H LYS 122 -5.254 23.097 -3.372 938 HA LYS 122 HA LYS 122 -4.879 24.610 -5.930 939 1HB LYS 122 2HB LYS 122 -6.977 22.744 -4.815 940 2HB LYS 122 1HB LYS 122 -7.316 23.767 -6.211 941 1HG LYS 122 2HG LYS 122 -5.396 22.798 -7.406 942 2HG LYS 122 1HG LYS 122 -5.026 21.790 -6.007 943 1HD LYS 122 2HD LYS 122 -6.344 20.245 -7.024 944 2HD LYS 122 1HD LYS 122 -7.683 21.221 -6.418 945 1HE LYS 122 2HE LYS 122 -8.140 22.121 -8.493 946 2HE LYS 122 1HE LYS 122 -6.440 22.078 -8.998 947 1HZ LYS 122 1HZ LYS 122 -8.096 19.653 -8.554 948 2HZ LYS 122 2HZ LYS 122 -7.851 20.356 -10.081 949 H VAL 123 H VAL 123 -5.241 26.780 -5.686 950 HA VAL 123 HA VAL 123 -6.576 27.942 -3.404 951 HB VAL 123 HB VAL 123 -4.885 28.737 -5.437 952 1HG1 VAL 123 1HG1 VAL 123 -6.365 30.754 -6.315 953 2HG1 VAL 123 2HG1 VAL 123 -7.688 29.628 -6.013 954 3HG1 VAL 123 3HG1 VAL 123 -6.399 29.194 -7.137 955 1HG2 VAL 123 1HG2 VAL 123 -5.684 31.127 -4.411 956 2HG2 VAL 123 2HG2 VAL 123 -4.625 30.009 -3.553 957 3HG2 VAL 123 3HG2 VAL 123 -6.353 30.027 -3.207 958 H ASP 124 H ASP 124 -8.744 28.357 -3.132 959 HA ASP 124 HA ASP 124 -10.685 27.387 -5.063 960 1HB ASP 124 2HB ASP 124 -11.986 28.980 -3.181 961 2HB ASP 124 1HB ASP 124 -11.663 27.253 -3.020 Start of MODEL 11 1 H SER 2 H SER 2 0.276 -8.496 10.765 2 HA SER 2 HA SER 2 1.540 -5.959 10.377 3 1HB SER 2 2HB SER 2 2.877 -6.403 8.612 4 2HB SER 2 1HB SER 2 2.364 -8.088 8.643 5 HG SER 2 HG SER 2 1.301 -7.662 6.892 6 H ASN 3 H ASN 3 -0.770 -5.678 11.111 7 HA ASN 3 HA ASN 3 -2.845 -6.182 9.052 8 1HB ASN 3 2HB ASN 3 -3.955 -4.822 11.217 9 2HB ASN 3 1HB ASN 3 -3.901 -6.574 11.023 10 1HD2 ASN 3 1HD2 ASN 3 -3.770 -5.311 13.615 11 2HD2 ASN 3 2HD2 ASN 3 -2.233 -5.616 14.268 12 H GLN 4 H GLN 4 -0.560 -3.931 9.238 13 HA GLN 4 HA GLN 4 -1.988 -1.422 9.259 14 1HB GLN 4 2HB GLN 4 0.370 -1.189 7.739 15 2HB GLN 4 1HB GLN 4 0.198 -0.888 9.469 16 1HG GLN 4 2HG GLN 4 0.707 -3.220 9.968 17 2HG GLN 4 1HG GLN 4 0.763 -3.606 8.249 18 1HE2 GLN 4 1HE2 GLN 4 2.094 -0.826 7.829 19 2HE2 GLN 4 2HE2 GLN 4 3.715 -1.096 8.252 20 H ILE 5 H ILE 5 -1.503 -0.028 7.056 21 HA ILE 5 HA ILE 5 -2.991 -1.483 4.915 22 HB ILE 5 HB ILE 5 -3.885 0.625 5.917 23 1HG1 ILE 5 2HG1 ILE 5 -3.683 -0.071 3.218 24 2HG1 ILE 5 1HG1 ILE 5 -4.799 1.108 3.907 25 1HG2 ILE 5 1HG2 ILE 5 -1.909 1.821 6.492 26 2HG2 ILE 5 2HG2 ILE 5 -2.638 2.743 5.177 27 3HG2 ILE 5 3HG2 ILE 5 -1.262 1.688 4.856 28 1HD1 ILE 5 1HD1 ILE 5 -1.977 1.774 3.029 29 2HD1 ILE 5 2HD1 ILE 5 -3.227 2.911 3.534 30 3HD1 ILE 5 3HD1 ILE 5 -3.404 2.020 2.022 31 H TYR 6 H TYR 6 -1.110 -2.574 4.004 32 HA TYR 6 HA TYR 6 1.308 -1.214 3.248 33 1HB TYR 6 2HB TYR 6 1.823 -3.391 2.962 34 2HB TYR 6 1HB TYR 6 0.127 -3.814 3.186 35 HD1 TYR 6 1HD TYR 6 -0.424 -5.372 1.532 36 HD2 TYR 6 2HD TYR 6 1.841 -1.881 0.468 37 HE1 TYR 6 1HE TYR 6 -0.580 -6.001 -0.862 38 HE2 TYR 6 2HE TYR 6 1.681 -2.510 -1.927 39 HH TYR 6 HH TYR 6 -0.183 -4.062 -3.299 40 H SER 7 H SER 7 1.963 -0.567 1.098 41 HA SER 7 HA SER 7 -0.338 0.202 -0.667 42 1HB SER 7 2HB SER 7 1.924 1.594 0.486 43 2HB SER 7 1HB SER 7 1.963 1.720 -1.270 44 HG SER 7 HG SER 7 -0.519 2.035 -0.088 45 H ALA 8 H ALA 8 -0.105 -0.122 -2.924 46 HA ALA 8 HA ALA 8 2.377 -1.385 -3.949 47 1HB ALA 8 1HB ALA 8 1.270 -3.400 -4.587 48 2HB ALA 8 2HB ALA 8 -0.323 -2.704 -4.290 49 3HB ALA 8 3HB ALA 8 0.737 -3.093 -2.934 50 H ARG 9 H ARG 9 2.353 -1.470 -6.348 51 HA ARG 9 HA ARG 9 0.192 0.120 -7.654 52 1HB ARG 9 2HB ARG 9 1.741 1.824 -7.207 53 2HB ARG 9 1HB ARG 9 3.124 0.745 -7.401 54 1HG ARG 9 2HG ARG 9 1.305 1.372 -9.723 55 2HG ARG 9 1HG ARG 9 2.648 2.438 -9.304 56 1HD ARG 9 2HD ARG 9 4.192 0.453 -9.445 57 2HD ARG 9 1HD ARG 9 2.824 -0.501 -10.053 58 HE ARG 9 HE ARG 9 2.746 1.691 -11.683 59 1HH1 ARG 9 1HH1 ARG 9 5.273 -0.407 -10.636 60 1HH2 ARG 9 1HH2 ARG 9 3.937 1.922 -13.591 61 2HH2 ARG 9 2HH2 ARG 9 5.439 1.079 -13.765 62 H TYR 10 H TYR 10 -0.399 -0.919 -9.522 63 HA TYR 10 HA TYR 10 1.672 -2.411 -11.065 64 1HB TYR 10 2HB TYR 10 -0.917 -3.478 -9.906 65 2HB TYR 10 1HB TYR 10 -0.022 -4.316 -11.175 66 HD1 TYR 10 1HD TYR 10 -0.564 -5.423 -8.380 67 HD2 TYR 10 2HD TYR 10 2.718 -3.171 -9.998 68 HE1 TYR 10 1HE TYR 10 0.949 -6.401 -6.675 69 HE2 TYR 10 2HE TYR 10 4.230 -4.150 -8.292 70 HH TYR 10 HH TYR 10 3.443 -6.838 -6.467 71 H SER 11 H SER 11 0.829 -3.011 -13.254 72 HA SER 11 HA SER 11 -0.222 -2.430 -15.284 73 1HB SER 11 2HB SER 11 -2.331 -3.091 -14.829 74 2HB SER 11 1HB SER 11 -2.163 -2.607 -13.144 75 HG SER 11 HG SER 11 -2.912 -0.626 -13.629 76 H GLY 12 H GLY 12 1.448 -0.360 -14.136 77 1HA GLY 12 2HA GLY 12 1.902 1.892 -14.619 78 2HA GLY 12 1HA GLY 12 0.450 1.906 -15.617 79 H VAL 13 H VAL 13 -0.767 0.802 -12.856 80 HA VAL 13 HA VAL 13 -1.203 3.556 -11.739 81 HB VAL 13 HB VAL 13 -3.063 1.190 -12.112 82 1HG1 VAL 13 1HG1 VAL 13 -3.548 3.847 -10.728 83 2HG1 VAL 13 2HG1 VAL 13 -3.522 2.262 -9.954 84 3HG1 VAL 13 3HG1 VAL 13 -4.797 2.660 -11.105 85 1HG2 VAL 13 1HG2 VAL 13 -4.255 2.663 -13.615 86 2HG2 VAL 13 2HG2 VAL 13 -2.554 2.701 -14.078 87 3HG2 VAL 13 3HG2 VAL 13 -3.246 4.033 -13.153 88 H ASP 14 H ASP 14 -0.633 3.745 -9.601 89 HA ASP 14 HA ASP 14 0.275 1.394 -8.115 90 1HB ASP 14 2HB ASP 14 1.570 3.195 -7.549 91 2HB ASP 14 1HB ASP 14 0.287 4.351 -7.910 92 H VAL 15 H VAL 15 -0.582 0.962 -5.890 93 HA VAL 15 HA VAL 15 -3.378 1.828 -5.396 94 HB VAL 15 HB VAL 15 -2.500 -1.057 -5.759 95 1HG1 VAL 15 1HG1 VAL 15 -4.921 0.257 -4.653 96 2HG1 VAL 15 2HG1 VAL 15 -4.245 -1.336 -4.304 97 3HG1 VAL 15 3HG1 VAL 15 -5.210 -1.086 -5.760 98 1HG2 VAL 15 1HG2 VAL 15 -3.383 -0.992 -7.876 99 2HG2 VAL 15 2HG2 VAL 15 -2.967 0.717 -7.753 100 3HG2 VAL 15 3HG2 VAL 15 -4.618 0.188 -7.436 101 H TYR 16 H TYR 16 -4.124 0.543 -3.272 102 HA TYR 16 HA TYR 16 -1.807 0.546 -1.367 103 1HB TYR 16 2HB TYR 16 -4.702 1.136 -0.712 104 2HB TYR 16 1HB TYR 16 -3.264 1.584 0.206 105 HD1 TYR 16 1HD TYR 16 -1.486 3.012 -1.237 106 HD2 TYR 16 2HD TYR 16 -5.714 2.810 -1.972 107 HE1 TYR 16 1HE TYR 16 -1.378 5.172 -2.455 108 HE2 TYR 16 2HE TYR 16 -5.606 4.968 -3.189 109 HH TYR 16 HH TYR 16 -4.255 6.871 -3.438 110 H GLU 17 H GLU 17 -1.612 -1.342 -0.134 111 HA GLU 17 HA GLU 17 -3.811 -3.360 -0.447 112 1HB GLU 17 2HB GLU 17 -0.830 -3.445 -0.605 113 2HB GLU 17 1HB GLU 17 -1.658 -4.871 0.024 114 1HG GLU 17 2HG GLU 17 -2.660 -3.590 -2.499 115 2HG GLU 17 1HG GLU 17 -1.242 -4.638 -2.568 116 H PHE 18 H PHE 18 -4.849 -3.685 1.452 117 HA PHE 18 HA PHE 18 -3.244 -3.658 3.986 118 1HB PHE 18 2HB PHE 18 -4.554 -1.627 3.854 119 2HB PHE 18 1HB PHE 18 -5.988 -2.526 3.355 120 HD1 PHE 18 1HD PHE 18 -7.332 -3.746 4.951 121 HD2 PHE 18 2HD PHE 18 -3.700 -1.802 6.172 122 HE1 PHE 18 1HE PHE 18 -7.957 -4.070 7.329 123 HE2 PHE 18 2HE PHE 18 -4.327 -2.126 8.550 124 HZ PHE 18 HZ PHE 18 -6.455 -3.261 9.128 125 H ILE 19 H ILE 19 -3.755 -5.360 5.419 126 HA ILE 19 HA ILE 19 -5.209 -7.636 4.300 127 HB ILE 19 HB ILE 19 -4.093 -7.183 7.085 128 1HG1 ILE 19 2HG1 ILE 19 -2.591 -6.799 4.917 129 2HG1 ILE 19 1HG1 ILE 19 -1.961 -7.673 6.313 130 1HG2 ILE 19 1HG2 ILE 19 -4.704 -9.643 5.425 131 2HG2 ILE 19 2HG2 ILE 19 -5.431 -9.182 6.965 132 3HG2 ILE 19 3HG2 ILE 19 -3.742 -9.687 6.902 133 1HD1 ILE 19 1HD1 ILE 19 -2.690 -8.682 3.626 134 2HD1 ILE 19 2HD1 ILE 19 -3.183 -9.703 4.978 135 3HD1 ILE 19 3HD1 ILE 19 -1.483 -9.281 4.765 136 H HIS 20 H HIS 20 -7.324 -8.138 4.671 137 HA HIS 20 HA HIS 20 -8.703 -7.082 7.081 138 1HB HIS 20 2HB HIS 20 -8.927 -5.330 5.380 139 2HB HIS 20 1HB HIS 20 -9.502 -6.516 4.207 140 HD1 HIS 20 1HD HIS 20 -10.718 -6.954 7.673 141 HD2 HIS 20 2HD HIS 20 -12.033 -5.060 4.199 142 HE1 HIS 20 1HE HIS 20 -13.165 -6.411 8.035 143 H SER 21 H SER 21 -11.288 -7.722 5.590 144 HA SER 21 HA SER 21 -11.579 -10.452 6.421 145 1HB SER 21 2HB SER 21 -13.701 -10.192 4.980 146 2HB SER 21 1HB SER 21 -13.494 -9.032 6.291 147 HG SER 21 HG SER 21 -12.393 -7.728 4.582 148 H THR 22 H THR 22 -10.883 -8.945 3.281 149 HA THR 22 HA THR 22 -10.743 -11.611 1.970 150 HB THR 22 HB THR 22 -11.611 -10.324 0.321 151 HG1 THR 22 1HG THR 22 -10.153 -9.242 -0.866 152 1HG2 THR 22 1HG2 THR 22 -10.827 -8.030 2.128 153 2HG2 THR 22 2HG2 THR 22 -12.434 -8.715 1.886 154 3HG2 THR 22 3HG2 THR 22 -11.665 -7.793 0.594 155 H GLY 23 H GLY 23 -8.748 -10.095 3.942 156 1HA GLY 23 2HA GLY 23 -6.419 -10.631 4.214 157 2HA GLY 23 1HA GLY 23 -6.332 -11.009 2.492 158 H SER 24 H SER 24 -5.231 -9.522 1.328 159 HA SER 24 HA SER 24 -4.789 -6.817 2.449 160 1HB SER 24 2HB SER 24 -3.700 -7.772 -0.169 161 2HB SER 24 1HB SER 24 -2.909 -6.830 1.092 162 HG SER 24 HG SER 24 -3.675 -9.272 1.986 163 H ILE 25 H ILE 25 -5.425 -4.914 1.371 164 HA ILE 25 HA ILE 25 -7.412 -5.291 -0.845 165 HB ILE 25 HB ILE 25 -7.226 -3.052 1.190 166 1HG1 ILE 25 2HG1 ILE 25 -9.188 -5.338 1.307 167 2HG1 ILE 25 1HG1 ILE 25 -7.607 -5.471 2.079 168 1HG2 ILE 25 1HG2 ILE 25 -9.857 -3.628 0.201 169 2HG2 ILE 25 2HG2 ILE 25 -8.764 -3.458 -1.172 170 3HG2 ILE 25 3HG2 ILE 25 -8.912 -2.152 0.003 171 1HD1 ILE 25 1HD1 ILE 25 -9.843 -3.545 2.695 172 2HD1 ILE 25 2HD1 ILE 25 -8.180 -3.180 3.159 173 3HD1 ILE 25 3HD1 ILE 25 -8.978 -4.618 3.796 174 H MET 26 H MET 26 -6.780 -4.400 -2.757 175 HA MET 26 HA MET 26 -4.606 -2.337 -2.717 176 1HB MET 26 2HB MET 26 -3.760 -4.059 -3.984 177 2HB MET 26 1HB MET 26 -5.360 -4.652 -4.427 178 1HG MET 26 2HG MET 26 -5.627 -2.694 -5.948 179 2HG MET 26 1HG MET 26 -3.977 -2.204 -5.561 180 1HE MET 26 1HE MET 26 -3.822 -3.534 -9.207 181 2HE MET 26 2HE MET 26 -4.065 -2.141 -8.157 182 3HE MET 26 3HE MET 26 -5.430 -3.178 -8.560 183 H LYS 27 H LYS 27 -5.205 -0.301 -3.322 184 HA LYS 27 HA LYS 27 -7.878 0.125 -4.545 185 1HB LYS 27 2HB LYS 27 -5.825 1.713 -3.044 186 2HB LYS 27 1HB LYS 27 -6.985 2.582 -4.051 187 1HG LYS 27 2HG LYS 27 -8.207 2.481 -2.098 188 2HG LYS 27 1HG LYS 27 -8.705 0.949 -2.817 189 1HD LYS 27 2HD LYS 27 -7.817 -0.175 -1.086 190 2HD LYS 27 1HD LYS 27 -6.237 0.535 -1.419 191 1HE LYS 27 2HE LYS 27 -7.902 2.539 -0.194 192 2HE LYS 27 1HE LYS 27 -7.918 1.073 0.807 193 1HZ LYS 27 1HZ LYS 27 -5.499 0.967 0.601 194 2HZ LYS 27 2HZ LYS 27 -5.502 2.413 -0.290 195 H ARG 28 H ARG 28 -8.129 1.218 -6.550 196 HA ARG 28 HA ARG 28 -5.916 0.922 -8.444 197 1HB ARG 28 2HB ARG 28 -7.908 0.459 -9.481 198 2HB ARG 28 1HB ARG 28 -8.819 1.541 -8.429 199 1HG ARG 28 2HG ARG 28 -8.911 2.766 -10.383 200 2HG ARG 28 1HG ARG 28 -7.400 3.394 -9.725 201 1HD ARG 28 2HD ARG 28 -6.260 2.588 -11.507 202 2HD ARG 28 1HD ARG 28 -6.879 0.955 -11.193 203 HE ARG 28 HE ARG 28 -8.662 2.933 -12.532 204 1HH1 ARG 28 1HH1 ARG 28 -6.813 0.023 -12.496 205 1HH2 ARG 28 1HH2 ARG 28 -9.617 2.121 -14.414 206 2HH2 ARG 28 2HH2 ARG 28 -9.123 0.577 -15.023 207 H LYS 29 H LYS 29 -4.335 2.468 -8.476 208 HA LYS 29 HA LYS 29 -4.504 5.102 -7.425 209 1HB LYS 29 2HB LYS 29 -2.670 3.403 -8.791 210 2HB LYS 29 1HB LYS 29 -2.655 4.974 -9.592 211 1HG LYS 29 2HG LYS 29 -2.730 5.493 -6.809 212 2HG LYS 29 1HG LYS 29 -1.510 4.242 -7.053 213 1HD LYS 29 2HD LYS 29 -0.123 5.637 -8.204 214 2HD LYS 29 1HD LYS 29 -1.458 6.441 -9.030 215 1HE LYS 29 2HE LYS 29 -1.984 7.488 -6.700 216 2HE LYS 29 1HE LYS 29 -0.320 7.018 -6.295 217 1HZ LYS 29 1HZ LYS 29 -0.147 9.140 -7.267 218 2HZ LYS 29 2HZ LYS 29 0.310 8.058 -8.494 219 H LYS 30 H LYS 30 -5.353 3.807 -10.585 220 HA LYS 30 HA LYS 30 -5.418 5.991 -12.272 221 1HB LYS 30 2HB LYS 30 -7.341 3.729 -11.753 222 2HB LYS 30 1HB LYS 30 -7.673 4.902 -13.029 223 1HG LYS 30 2HG LYS 30 -5.202 3.164 -12.768 224 2HG LYS 30 1HG LYS 30 -6.463 3.025 -13.994 225 1HD LYS 30 2HD LYS 30 -5.549 5.726 -14.006 226 2HD LYS 30 1HD LYS 30 -4.126 4.681 -14.038 227 1HE LYS 30 2HE LYS 30 -4.543 4.574 -16.289 228 2HE LYS 30 1HE LYS 30 -5.802 3.412 -15.827 229 1HZ LYS 30 1HZ LYS 30 -7.438 4.968 -15.963 230 2HZ LYS 30 2HZ LYS 30 -6.409 6.263 -15.574 231 H ASP 31 H ASP 31 -8.298 5.120 -10.334 232 HA ASP 31 HA ASP 31 -8.968 8.040 -10.203 233 1HB ASP 31 2HB ASP 31 -10.394 5.932 -11.194 234 2HB ASP 31 1HB ASP 31 -10.976 5.965 -9.529 235 H ASP 32 H ASP 32 -9.218 5.012 -8.311 236 HA ASP 32 HA ASP 32 -8.076 5.251 -5.989 237 1HB ASP 32 2HB ASP 32 -8.229 7.655 -5.986 238 2HB ASP 32 1HB ASP 32 -9.979 7.602 -6.193 239 H TRP 33 H TRP 33 -9.854 3.435 -7.137 240 HA TRP 33 HA TRP 33 -12.287 3.396 -5.427 241 1HB TRP 33 2HB TRP 33 -11.682 1.227 -7.363 242 2HB TRP 33 1HB TRP 33 -13.174 2.137 -7.129 243 HD1 TRP 33 HD TRP 33 -9.664 2.580 -8.666 244 HE1 TRP 33 1HE TRP 33 -9.835 4.286 -10.591 245 HE3 TRP 33 3HE TRP 33 -14.562 3.943 -8.199 246 HZ2 TRP 33 2HZ TRP 33 -11.793 6.003 -11.776 247 HZ3 TRP 33 3HZ TRP 33 -15.553 5.614 -9.736 248 HH2 TRP 33 HH TRP 33 -14.177 6.645 -11.522 249 H VAL 34 H VAL 34 -12.798 1.371 -4.242 250 HA VAL 34 HA VAL 34 -10.333 -0.136 -3.428 251 HB VAL 34 HB VAL 34 -11.502 1.611 -1.862 252 1HG1 VAL 34 1HG1 VAL 34 -13.233 -0.663 -1.032 253 2HG1 VAL 34 2HG1 VAL 34 -13.735 0.227 -2.470 254 3HG1 VAL 34 3HG1 VAL 34 -13.532 1.073 -0.936 255 1HG2 VAL 34 1HG2 VAL 34 -10.037 -0.737 -1.427 256 2HG2 VAL 34 2HG2 VAL 34 -11.386 -0.841 -0.295 257 3HG2 VAL 34 3HG2 VAL 34 -10.310 0.556 -0.259 258 H ASN 35 H ASN 35 -10.729 -2.390 -2.846 259 HA ASN 35 HA ASN 35 -12.555 -3.779 -4.558 260 1HB ASN 35 2HB ASN 35 -11.719 -5.219 -2.157 261 2HB ASN 35 1HB ASN 35 -11.275 -5.507 -3.840 262 1HD2 ASN 35 1HD2 ASN 35 -9.243 -5.780 -1.968 263 2HD2 ASN 35 2HD2 ASN 35 -8.169 -4.468 -2.067 264 H ALA 36 H ALA 36 -14.739 -3.199 -4.230 265 HA ALA 36 HA ALA 36 -16.135 -2.616 -1.908 266 1HB ALA 36 1HB ALA 36 -16.847 -4.215 -4.376 267 2HB ALA 36 2HB ALA 36 -17.219 -2.526 -4.028 268 3HB ALA 36 3HB ALA 36 -18.055 -3.812 -3.156 269 H THR 37 H THR 37 -14.788 -5.719 -2.828 270 HA THR 37 HA THR 37 -16.380 -7.449 -1.206 271 HB THR 37 HB THR 37 -13.418 -7.625 -1.843 272 HG1 THR 37 1HG THR 37 -15.486 -8.741 -3.381 273 1HG2 THR 37 1HG2 THR 37 -13.942 -10.083 -1.846 274 2HG2 THR 37 2HG2 THR 37 -15.552 -9.689 -1.244 275 3HG2 THR 37 3HG2 THR 37 -14.130 -9.319 -0.268 276 H HIS 38 H HIS 38 -13.364 -5.679 -0.489 277 HA HIS 38 HA HIS 38 -13.090 -6.554 2.230 278 1HB HIS 38 2HB HIS 38 -12.035 -4.483 0.404 279 2HB HIS 38 1HB HIS 38 -11.985 -4.034 2.109 280 HD1 HIS 38 1HD HIS 38 -10.764 -6.716 -0.268 281 HD2 HIS 38 2HD HIS 38 -10.079 -5.416 3.633 282 HE1 HIS 38 1HE HIS 38 -8.744 -7.994 0.568 283 H ILE 39 H ILE 39 -15.030 -4.103 0.661 284 HA ILE 39 HA ILE 39 -15.879 -2.863 3.210 285 HB ILE 39 HB ILE 39 -16.089 -2.392 0.274 286 1HG1 ILE 39 2HG1 ILE 39 -16.000 0.022 1.607 287 2HG1 ILE 39 1HG1 ILE 39 -15.140 -1.051 2.712 288 1HG2 ILE 39 1HG2 ILE 39 -17.888 -0.637 0.792 289 2HG2 ILE 39 2HG2 ILE 39 -18.175 -1.536 2.282 290 3HG2 ILE 39 3HG2 ILE 39 -18.421 -2.317 0.720 291 1HD1 ILE 39 1HD1 ILE 39 -13.721 -1.820 0.818 292 2HD1 ILE 39 2HD1 ILE 39 -13.560 -0.089 1.110 293 3HD1 ILE 39 3HD1 ILE 39 -14.542 -0.668 -0.237 294 H LEU 40 H LEU 40 -17.368 -4.601 0.465 295 HA LEU 40 HA LEU 40 -19.851 -5.043 2.019 296 1HB LEU 40 2HB LEU 40 -19.072 -4.766 -0.703 297 2HB LEU 40 1HB LEU 40 -19.723 -6.396 -0.521 298 HG LEU 40 HG LEU 40 -21.602 -5.010 -1.013 299 1HD1 LEU 40 1HD1 LEU 40 -21.271 -5.706 1.894 300 2HD1 LEU 40 2HD1 LEU 40 -22.307 -6.461 0.683 301 3HD1 LEU 40 3HD1 LEU 40 -22.736 -4.886 1.350 302 1HD2 LEU 40 1HD2 LEU 40 -20.159 -3.102 0.764 303 2HD2 LEU 40 2HD2 LEU 40 -21.921 -3.036 0.793 304 3HD2 LEU 40 3HD2 LEU 40 -21.055 -2.793 -0.723 305 H LYS 41 H LYS 41 -17.376 -7.020 0.340 306 HA LYS 41 HA LYS 41 -18.333 -9.556 1.315 307 1HB LYS 41 2HB LYS 41 -16.930 -9.810 -0.489 308 2HB LYS 41 1HB LYS 41 -15.952 -8.408 -0.049 309 1HG LYS 41 2HG LYS 41 -14.445 -9.704 1.010 310 2HG LYS 41 1HG LYS 41 -15.710 -10.502 1.946 311 1HD LYS 41 2HD LYS 41 -16.035 -12.170 0.328 312 2HD LYS 41 1HD LYS 41 -15.293 -11.207 -0.951 313 1HE LYS 41 2HE LYS 41 -13.877 -13.147 0.008 314 2HE LYS 41 1HE LYS 41 -13.089 -11.559 -0.065 315 1HZ LYS 41 1HZ LYS 41 -14.702 -12.210 2.294 316 2HZ LYS 41 2HZ LYS 41 -13.162 -12.913 2.167 317 H ALA 42 H ALA 42 -16.309 -7.060 2.673 318 HA ALA 42 HA ALA 42 -14.991 -8.645 4.699 319 1HB ALA 42 1HB ALA 42 -14.689 -6.318 5.706 320 2HB ALA 42 2HB ALA 42 -15.674 -5.708 4.376 321 3HB ALA 42 3HB ALA 42 -14.130 -6.492 4.043 322 H ALA 43 H ALA 43 -18.168 -7.223 4.404 323 HA ALA 43 HA ALA 43 -18.767 -8.048 7.230 324 1HB ALA 43 1HB ALA 43 -18.807 -5.641 6.986 325 2HB ALA 43 2HB ALA 43 -20.480 -6.188 7.083 326 3HB ALA 43 3HB ALA 43 -19.783 -5.758 5.522 327 H ASN 44 H ASN 44 -19.179 -9.104 4.183 328 HA ASN 44 HA ASN 44 -21.755 -10.411 4.843 329 1HB ASN 44 2HB ASN 44 -22.702 -9.635 2.647 330 2HB ASN 44 1HB ASN 44 -22.418 -8.319 3.786 331 1HD2 ASN 44 1HD2 ASN 44 -19.690 -9.866 2.173 332 2HD2 ASN 44 2HD2 ASN 44 -19.320 -8.563 1.150 333 H PHE 45 H PHE 45 -18.748 -10.951 4.073 334 HA PHE 45 HA PHE 45 -17.576 -12.515 2.719 335 1HB PHE 45 2HB PHE 45 -19.507 -13.641 4.262 336 2HB PHE 45 1HB PHE 45 -20.035 -14.186 2.671 337 HD1 PHE 45 1HD PHE 45 -16.754 -13.737 2.041 338 HD2 PHE 45 2HD PHE 45 -19.242 -16.269 4.461 339 HE1 PHE 45 1HE PHE 45 -14.983 -15.475 2.046 340 HE2 PHE 45 2HE PHE 45 -17.471 -18.005 4.466 341 HZ PHE 45 HZ PHE 45 -15.341 -17.608 3.259 342 H ALA 46 H ALA 46 -17.432 -13.375 0.532 343 HA ALA 46 HA ALA 46 -19.233 -11.987 -1.373 344 1HB ALA 46 1HB ALA 46 -16.740 -13.676 -1.785 345 2HB ALA 46 2HB ALA 46 -16.740 -11.928 -1.549 346 3HB ALA 46 3HB ALA 46 -17.492 -12.624 -2.984 347 H LYS 47 H LYS 47 -21.134 -13.255 -1.219 348 HA LYS 47 HA LYS 47 -20.913 -15.993 -2.417 349 1HB LYS 47 2HB LYS 47 -21.949 -16.857 -0.589 350 2HB LYS 47 1HB LYS 47 -21.620 -15.316 0.204 351 1HG LYS 47 2HG LYS 47 -23.764 -14.504 -0.174 352 2HG LYS 47 1HG LYS 47 -24.020 -15.542 -1.577 353 1HD LYS 47 2HD LYS 47 -24.571 -17.389 -0.286 354 2HD LYS 47 1HD LYS 47 -23.632 -16.830 1.099 355 1HE LYS 47 2HE LYS 47 -25.602 -16.114 1.980 356 2HE LYS 47 1HE LYS 47 -25.594 -14.851 0.732 357 1HZ LYS 47 1HZ LYS 47 -27.282 -17.090 0.916 358 2HZ LYS 47 2HZ LYS 47 -27.272 -15.874 -0.271 359 H ALA 48 H ALA 48 -23.634 -16.485 -2.740 360 HA ALA 48 HA ALA 48 -24.354 -15.047 -5.054 361 1HB ALA 48 1HB ALA 48 -26.641 -15.810 -3.404 362 2HB ALA 48 2HB ALA 48 -25.400 -17.062 -3.399 363 3HB ALA 48 3HB ALA 48 -26.091 -16.512 -4.925 364 H LYS 49 H LYS 49 -24.609 -14.217 -1.684 365 HA LYS 49 HA LYS 49 -26.514 -12.058 -1.913 366 1HB LYS 49 2HB LYS 49 -24.670 -13.265 0.031 367 2HB LYS 49 1HB LYS 49 -24.822 -11.517 0.227 368 1HG LYS 49 2HG LYS 49 -27.306 -11.775 0.224 369 2HG LYS 49 1HG LYS 49 -27.094 -13.525 0.162 370 1HD LYS 49 2HD LYS 49 -25.790 -13.417 2.278 371 2HD LYS 49 1HD LYS 49 -26.101 -11.682 2.356 372 1HE LYS 49 2HE LYS 49 -28.205 -13.878 2.393 373 2HE LYS 49 1HE LYS 49 -27.754 -12.823 3.748 374 1HZ LYS 49 1HZ LYS 49 -29.635 -11.851 2.682 375 2HZ LYS 49 2HZ LYS 49 -28.924 -11.999 1.146 376 H ARG 50 H ARG 50 -22.921 -12.125 -1.723 377 HA ARG 50 HA ARG 50 -22.519 -9.329 -2.138 378 1HB ARG 50 2HB ARG 50 -21.021 -11.822 -2.033 379 2HB ARG 50 1HB ARG 50 -20.351 -10.730 -3.246 380 1HG ARG 50 2HG ARG 50 -19.253 -10.140 -1.221 381 2HG ARG 50 1HG ARG 50 -20.492 -8.904 -1.446 382 1HD ARG 50 2HD ARG 50 -21.410 -11.293 0.041 383 2HD ARG 50 1HD ARG 50 -20.186 -10.315 0.875 384 HE ARG 50 HE ARG 50 -21.739 -8.325 0.169 385 1HH1 ARG 50 1HH1 ARG 50 -22.719 -11.542 0.931 386 1HH2 ARG 50 1HH2 ARG 50 -23.790 -7.696 0.881 387 2HH2 ARG 50 2HH2 ARG 50 -24.900 -8.897 1.451 388 H THR 51 H THR 51 -23.244 -11.950 -4.359 389 HA THR 51 HA THR 51 -22.363 -10.677 -6.789 390 HB THR 51 HB THR 51 -23.519 -13.099 -5.925 391 HG1 THR 51 1HG THR 51 -23.371 -12.963 -8.588 392 1HG2 THR 51 1HG2 THR 51 -25.518 -11.428 -7.113 393 2HG2 THR 51 2HG2 THR 51 -25.670 -13.097 -6.564 394 3HG2 THR 51 3HG2 THR 51 -25.164 -12.755 -8.219 395 H ARG 52 H ARG 52 -25.380 -10.615 -4.927 396 HA ARG 52 HA ARG 52 -26.710 -8.895 -6.938 397 1HB ARG 52 2HB ARG 52 -27.915 -10.688 -5.733 398 2HB ARG 52 1HB ARG 52 -27.532 -9.913 -4.195 399 1HG ARG 52 2HG ARG 52 -28.753 -7.878 -4.951 400 2HG ARG 52 1HG ARG 52 -29.202 -8.726 -6.431 401 1HD ARG 52 2HD ARG 52 -30.383 -10.445 -5.101 402 2HD ARG 52 1HD ARG 52 -29.938 -9.591 -3.610 403 HE ARG 52 HE ARG 52 -31.251 -7.647 -4.442 404 1HH1 ARG 52 1HH1 ARG 52 -31.577 -10.693 -6.022 405 1HH2 ARG 52 1HH2 ARG 52 -33.263 -7.139 -5.339 406 2HH2 ARG 52 2HH2 ARG 52 -34.074 -8.306 -6.329 407 H ILE 53 H ILE 53 -26.398 -8.581 -3.395 408 HA ILE 53 HA ILE 53 -26.755 -5.837 -3.138 409 HB ILE 53 HB ILE 53 -24.906 -7.768 -1.710 410 1HG1 ILE 53 2HG1 ILE 53 -27.312 -8.273 -1.593 411 2HG1 ILE 53 1HG1 ILE 53 -26.727 -7.723 -0.021 412 1HG2 ILE 53 1HG2 ILE 53 -25.759 -5.479 -0.141 413 2HG2 ILE 53 2HG2 ILE 53 -24.833 -4.963 -1.551 414 3HG2 ILE 53 3HG2 ILE 53 -24.130 -6.103 -0.403 415 1HD1 ILE 53 1HD1 ILE 53 -28.873 -6.649 -1.475 416 2HD1 ILE 53 2HD1 ILE 53 -27.568 -5.478 -1.660 417 3HD1 ILE 53 3HD1 ILE 53 -28.111 -5.944 -0.049 418 H LEU 54 H LEU 54 -23.649 -7.505 -3.796 419 HA LEU 54 HA LEU 54 -22.088 -5.076 -3.991 420 1HB LEU 54 2HB LEU 54 -21.692 -7.837 -3.958 421 2HB LEU 54 1HB LEU 54 -21.183 -7.364 -5.580 422 HG LEU 54 HG LEU 54 -19.243 -7.150 -4.200 423 1HD1 LEU 54 1HD1 LEU 54 -20.573 -4.444 -4.531 424 2HD1 LEU 54 2HD1 LEU 54 -19.561 -5.264 -5.719 425 3HD1 LEU 54 3HD1 LEU 54 -18.856 -4.683 -4.210 426 1HD2 LEU 54 1HD2 LEU 54 -21.009 -6.867 -2.127 427 2HD2 LEU 54 2HD2 LEU 54 -20.403 -5.218 -2.285 428 3HD2 LEU 54 3HD2 LEU 54 -19.280 -6.547 -2.000 429 H GLU 55 H GLU 55 -23.211 -7.325 -6.526 430 HA GLU 55 HA GLU 55 -22.548 -5.816 -8.796 431 1HB GLU 55 2HB GLU 55 -23.836 -7.396 -9.884 432 2HB GLU 55 1HB GLU 55 -23.696 -8.187 -8.318 433 1HG GLU 55 2HG GLU 55 -25.972 -8.248 -8.418 434 2HG GLU 55 1HG GLU 55 -25.851 -6.574 -7.879 435 H LYS 56 H LYS 56 -25.595 -5.680 -6.904 436 HA LYS 56 HA LYS 56 -26.740 -3.557 -8.526 437 1HB LYS 56 2HB LYS 56 -28.513 -4.316 -7.337 438 2HB LYS 56 1HB LYS 56 -27.431 -5.278 -6.328 439 1HG LYS 56 2HG LYS 56 -28.440 -3.859 -4.760 440 2HG LYS 56 1HG LYS 56 -26.941 -3.005 -5.130 441 1HD LYS 56 2HD LYS 56 -28.184 -1.221 -5.715 442 2HD LYS 56 1HD LYS 56 -28.778 -2.159 -7.085 443 1HE LYS 56 2HE LYS 56 -30.843 -2.132 -6.157 444 2HE LYS 56 1HE LYS 56 -30.204 -3.044 -4.775 445 1HZ LYS 56 1HZ LYS 56 -31.141 -0.612 -4.480 446 2HZ LYS 56 2HZ LYS 56 -29.810 -1.163 -3.580 447 H GLU 57 H GLU 57 -24.521 -3.715 -5.865 448 HA GLU 57 HA GLU 57 -24.826 -0.864 -5.148 449 1HB GLU 57 2HB GLU 57 -24.310 -2.804 -3.566 450 2HB GLU 57 1HB GLU 57 -22.712 -2.870 -4.308 451 1HG GLU 57 2HG GLU 57 -23.656 -0.199 -3.390 452 2HG GLU 57 1HG GLU 57 -23.221 -1.363 -2.139 453 H VAL 58 H VAL 58 -22.331 -2.998 -6.566 454 HA VAL 58 HA VAL 58 -20.761 -0.648 -7.450 455 HB VAL 58 HB VAL 58 -19.922 -3.335 -8.266 456 1HG1 VAL 58 1HG1 VAL 58 -18.832 -0.847 -7.253 457 2HG1 VAL 58 2HG1 VAL 58 -18.015 -2.141 -8.128 458 3HG1 VAL 58 3HG1 VAL 58 -18.166 -2.222 -6.373 459 1HG2 VAL 58 1HG2 VAL 58 -19.369 -3.867 -5.778 460 2HG2 VAL 58 2HG2 VAL 58 -21.001 -4.201 -6.357 461 3HG2 VAL 58 3HG2 VAL 58 -20.682 -2.748 -5.408 462 H LEU 59 H LEU 59 -22.732 -3.282 -8.823 463 HA LEU 59 HA LEU 59 -22.104 -3.184 -11.529 464 1HB LEU 59 2HB LEU 59 -23.828 -4.613 -10.473 465 2HB LEU 59 1HB LEU 59 -24.859 -3.198 -10.251 466 HG LEU 59 HG LEU 59 -25.381 -4.606 -12.305 467 1HD1 LEU 59 1HD1 LEU 59 -26.038 -2.717 -13.503 468 2HD1 LEU 59 2HD1 LEU 59 -24.540 -1.853 -13.156 469 3HD1 LEU 59 3HD1 LEU 59 -25.767 -2.027 -11.902 470 1HD2 LEU 59 1HD2 LEU 59 -22.554 -3.908 -12.774 471 2HD2 LEU 59 2HD2 LEU 59 -23.604 -3.612 -14.160 472 3HD2 LEU 59 3HD2 LEU 59 -23.514 -5.224 -13.451 473 H LYS 60 H LYS 60 -24.278 -0.944 -9.779 474 HA LYS 60 HA LYS 60 -24.686 0.770 -12.109 475 1HB LYS 60 2HB LYS 60 -25.958 0.327 -9.737 476 2HB LYS 60 1HB LYS 60 -25.068 1.799 -9.346 477 1HG LYS 60 2HG LYS 60 -26.307 3.083 -10.765 478 2HG LYS 60 1HG LYS 60 -26.410 1.810 -11.982 479 1HD LYS 60 2HD LYS 60 -27.858 0.878 -9.735 480 2HD LYS 60 1HD LYS 60 -28.355 2.553 -9.989 481 1HE LYS 60 2HE LYS 60 -28.237 1.459 -12.573 482 2HE LYS 60 1HE LYS 60 -29.007 0.207 -11.578 483 1HZ LYS 60 1HZ LYS 60 -29.774 3.067 -11.787 484 2HZ LYS 60 2HZ LYS 60 -30.706 1.718 -12.227 485 H GLU 61 H GLU 61 -22.145 0.201 -10.018 486 HA GLU 61 HA GLU 61 -21.015 2.963 -10.344 487 1HB GLU 61 2HB GLU 61 -20.931 0.829 -8.274 488 2HB GLU 61 1HB GLU 61 -19.435 1.733 -8.512 489 1HG GLU 61 2HG GLU 61 -20.938 3.843 -8.396 490 2HG GLU 61 1HG GLU 61 -22.143 2.769 -7.687 491 H THR 62 H THR 62 -18.323 1.904 -9.699 492 HA THR 62 HA THR 62 -17.651 0.866 -12.410 493 HB THR 62 HB THR 62 -15.791 2.157 -12.163 494 HG1 THR 62 1HG THR 62 -15.521 0.552 -10.075 495 1HG2 THR 62 1HG2 THR 62 -17.796 3.076 -10.226 496 2HG2 THR 62 2HG2 THR 62 -16.897 3.993 -11.435 497 3HG2 THR 62 3HG2 THR 62 -16.164 3.639 -9.869 498 H HIS 63 H HIS 63 -18.809 -1.001 -10.535 499 HA HIS 63 HA HIS 63 -16.885 -2.526 -9.070 500 1HB HIS 63 2HB HIS 63 -18.717 -3.855 -8.687 501 2HB HIS 63 1HB HIS 63 -19.581 -2.506 -9.424 502 HD1 HIS 63 1HD HIS 63 -19.092 -2.838 -12.351 503 HD2 HIS 63 2HD HIS 63 -19.769 -6.118 -9.867 504 HE1 HIS 63 1HE HIS 63 -19.892 -4.719 -13.849 505 H GLU 64 H GLU 64 -15.303 -3.910 -9.800 506 HA GLU 64 HA GLU 64 -15.585 -5.196 -12.467 507 1HB GLU 64 2HB GLU 64 -13.604 -3.098 -11.631 508 2HB GLU 64 1HB GLU 64 -13.105 -4.334 -12.787 509 1HG GLU 64 2HG GLU 64 -15.714 -3.332 -13.506 510 2HG GLU 64 1HG GLU 64 -14.587 -1.986 -13.328 511 H LYS 65 H LYS 65 -13.937 -6.917 -12.762 512 HA LYS 65 HA LYS 65 -13.052 -8.046 -10.139 513 1HB LYS 65 2HB LYS 65 -12.825 -9.768 -12.472 514 2HB LYS 65 1HB LYS 65 -13.803 -9.993 -11.021 515 1HG LYS 65 2HG LYS 65 -14.562 -8.220 -13.363 516 2HG LYS 65 1HG LYS 65 -15.200 -9.839 -13.073 517 1HD LYS 65 2HD LYS 65 -15.394 -8.123 -10.713 518 2HD LYS 65 1HD LYS 65 -16.284 -7.480 -12.094 519 1HE LYS 65 2HE LYS 65 -16.567 -10.272 -10.925 520 2HE LYS 65 1HE LYS 65 -17.770 -8.969 -10.856 521 1HZ LYS 65 1HZ LYS 65 -18.159 -10.512 -12.723 522 2HZ LYS 65 2HZ LYS 65 -17.862 -8.923 -13.245 523 H VAL 66 H VAL 66 -10.855 -8.268 -9.748 524 HA VAL 66 HA VAL 66 -8.974 -7.212 -11.768 525 HB VAL 66 HB VAL 66 -7.393 -7.525 -9.794 526 1HG1 VAL 66 1HG1 VAL 66 -9.826 -5.816 -9.889 527 2HG1 VAL 66 2HG1 VAL 66 -8.126 -5.351 -9.810 528 3HG1 VAL 66 3HG1 VAL 66 -8.967 -5.870 -8.349 529 1HG2 VAL 66 1HG2 VAL 66 -9.813 -7.937 -8.088 530 2HG2 VAL 66 2HG2 VAL 66 -8.140 -8.409 -7.792 531 3HG2 VAL 66 3HG2 VAL 66 -9.137 -9.348 -8.903 532 H GLN 67 H GLN 67 -7.825 -8.547 -13.099 533 HA GLN 67 HA GLN 67 -7.230 -11.332 -12.198 534 1HB GLN 67 2HB GLN 67 -7.906 -12.016 -14.574 535 2HB GLN 67 1HB GLN 67 -9.229 -11.539 -13.509 536 1HG GLN 67 2HG GLN 67 -8.391 -9.135 -14.644 537 2HG GLN 67 1HG GLN 67 -8.301 -10.287 -15.978 538 1HE2 GLN 67 1HE2 GLN 67 -10.579 -9.750 -13.214 539 2HE2 GLN 67 2HE2 GLN 67 -11.979 -9.836 -14.169 540 H GLY 68 H GLY 68 -5.371 -12.246 -13.322 541 1HA GLY 68 2HA GLY 68 -3.475 -12.137 -14.790 542 2HA GLY 68 1HA GLY 68 -3.873 -10.455 -15.140 543 H GLY 69 H GLY 69 -4.198 -10.536 -11.930 544 1HA GLY 69 2HA GLY 69 -2.567 -10.469 -10.121 545 2HA GLY 69 1HA GLY 69 -1.293 -10.268 -11.326 546 H PHE 70 H PHE 70 -3.785 -8.338 -12.315 547 HA PHE 70 HA PHE 70 -2.501 -5.936 -11.090 548 1HB PHE 70 2HB PHE 70 -2.838 -4.994 -13.136 549 2HB PHE 70 1HB PHE 70 -3.124 -6.647 -13.681 550 HD1 PHE 70 1HD PHE 70 -5.330 -7.422 -14.235 551 HD2 PHE 70 2HD PHE 70 -4.760 -3.529 -12.511 552 HE1 PHE 70 1HE PHE 70 -7.681 -6.842 -14.770 553 HE2 PHE 70 2HE PHE 70 -7.112 -2.949 -13.045 554 HZ PHE 70 HZ PHE 70 -8.572 -4.605 -14.175 555 H GLY 71 H GLY 71 -3.668 -5.963 -9.063 556 1HA GLY 71 2HA GLY 71 -5.427 -4.993 -7.787 557 2HA GLY 71 1HA GLY 71 -6.377 -4.834 -9.264 558 H LYS 72 H LYS 72 -4.885 -7.891 -8.562 559 HA LYS 72 HA LYS 72 -7.438 -9.266 -8.594 560 1HB LYS 72 2HB LYS 72 -5.828 -10.706 -9.324 561 2HB LYS 72 1HB LYS 72 -4.551 -9.840 -8.468 562 1HG LYS 72 2HG LYS 72 -6.547 -11.697 -7.139 563 2HG LYS 72 1HG LYS 72 -4.908 -12.159 -7.597 564 1HD LYS 72 2HD LYS 72 -5.371 -9.737 -5.869 565 2HD LYS 72 1HD LYS 72 -5.339 -11.348 -5.153 566 1HE LYS 72 2HE LYS 72 -3.122 -10.744 -7.040 567 2HE LYS 72 1HE LYS 72 -3.094 -9.869 -5.497 568 1HZ LYS 72 1HZ LYS 72 -3.009 -11.794 -4.288 569 2HZ LYS 72 2HZ LYS 72 -2.135 -12.285 -5.659 570 H TYR 73 H TYR 73 -5.777 -7.563 -6.197 571 HA TYR 73 HA TYR 73 -6.683 -9.212 -3.926 572 1HB TYR 73 2HB TYR 73 -5.345 -6.495 -4.179 573 2HB TYR 73 1HB TYR 73 -5.606 -7.339 -2.653 574 HD1 TYR 73 1HD TYR 73 -3.320 -6.818 -5.291 575 HD2 TYR 73 2HD TYR 73 -4.754 -9.859 -2.617 576 HE1 TYR 73 1HE TYR 73 -1.237 -8.115 -5.648 577 HE2 TYR 73 2HE TYR 73 -2.670 -11.156 -2.975 578 HH TYR 73 HH TYR 73 -0.795 -11.019 -5.288 579 H GLN 74 H GLN 74 -7.716 -6.432 -5.796 580 HA GLN 74 HA GLN 74 -9.786 -5.700 -3.792 581 1HB GLN 74 2HB GLN 74 -9.266 -4.513 -6.527 582 2HB GLN 74 1HB GLN 74 -10.014 -3.734 -5.132 583 1HG GLN 74 2HG GLN 74 -7.480 -3.261 -5.709 584 2HG GLN 74 1HG GLN 74 -7.987 -3.449 -4.030 585 1HE2 GLN 74 1HE2 GLN 74 -6.162 -4.940 -6.640 586 2HE2 GLN 74 2HE2 GLN 74 -5.546 -6.229 -5.725 587 H GLY 75 H GLY 75 -9.580 -6.763 -7.211 588 1HA GLY 75 2HA GLY 75 -11.124 -8.037 -8.454 589 2HA GLY 75 1HA GLY 75 -12.003 -8.335 -6.951 590 H THR 76 H THR 76 -13.660 -6.907 -6.337 591 HA THR 76 HA THR 76 -14.651 -5.146 -8.531 592 HB THR 76 HB THR 76 -16.124 -5.883 -6.009 593 HG1 THR 76 1HG THR 76 -15.848 -7.511 -8.313 594 1HG2 THR 76 1HG2 THR 76 -17.614 -4.656 -7.211 595 2HG2 THR 76 2HG2 THR 76 -17.821 -6.142 -8.137 596 3HG2 THR 76 3HG2 THR 76 -16.729 -4.886 -8.719 597 H TRP 77 H TRP 77 -12.814 -3.615 -7.755 598 HA TRP 77 HA TRP 77 -13.124 -2.286 -5.188 599 1HB TRP 77 2HB TRP 77 -11.558 -0.643 -6.633 600 2HB TRP 77 1HB TRP 77 -10.960 -2.162 -5.968 601 HD1 TRP 77 HD TRP 77 -13.399 -2.411 -8.824 602 HE1 TRP 77 1HE TRP 77 -12.166 -3.203 -10.946 603 HE3 TRP 77 3HE TRP 77 -8.565 -2.043 -7.223 604 HZ2 TRP 77 2HZ TRP 77 -9.482 -3.625 -11.844 605 HZ3 TRP 77 3HZ TRP 77 -6.691 -2.646 -8.730 606 HH2 TRP 77 HH TRP 77 -7.143 -3.436 -11.035 607 H VAL 78 H VAL 78 -13.605 0.055 -5.013 608 HA VAL 78 HA VAL 78 -15.337 1.159 -7.176 609 HB VAL 78 HB VAL 78 -16.497 1.747 -4.632 610 1HG1 VAL 78 1HG1 VAL 78 -17.826 -0.344 -6.173 611 2HG1 VAL 78 2HG1 VAL 78 -17.273 0.978 -7.201 612 3HG1 VAL 78 3HG1 VAL 78 -18.352 1.308 -5.845 613 1HG2 VAL 78 1HG2 VAL 78 -16.556 -1.206 -4.923 614 2HG2 VAL 78 2HG2 VAL 78 -16.565 -0.219 -3.461 615 3HG2 VAL 78 3HG2 VAL 78 -15.048 -0.531 -4.306 616 HA PRO 79 HA PRO 79 -13.478 5.031 -6.336 617 1HB PRO 79 2HB PRO 79 -15.732 6.610 -5.704 618 2HB PRO 79 1HB PRO 79 -15.048 6.362 -7.320 619 1HG PRO 79 2HG PRO 79 -17.398 5.103 -6.055 620 2HG PRO 79 1HG PRO 79 -17.064 5.421 -7.763 621 1HD PRO 79 2HD PRO 79 -16.942 2.943 -6.668 622 2HD PRO 79 1HD PRO 79 -15.938 3.443 -8.047 623 H LEU 80 H LEU 80 -12.337 5.167 -4.424 624 HA LEU 80 HA LEU 80 -13.138 4.406 -1.864 625 1HB LEU 80 2HB LEU 80 -11.088 6.087 -3.131 626 2HB LEU 80 1HB LEU 80 -11.416 6.534 -1.457 627 HG LEU 80 HG LEU 80 -11.326 3.865 -1.159 628 1HD1 LEU 80 1HD1 LEU 80 -9.316 4.419 -3.359 629 2HD1 LEU 80 2HD1 LEU 80 -10.859 3.607 -3.630 630 3HD1 LEU 80 3HD1 LEU 80 -9.647 2.870 -2.582 631 1HD2 LEU 80 1HD2 LEU 80 -9.403 6.077 -0.921 632 2HD2 LEU 80 2HD2 LEU 80 -8.638 4.493 -1.038 633 3HD2 LEU 80 3HD2 LEU 80 -9.810 4.813 0.240 634 H ASN 81 H ASN 81 -13.781 7.464 -3.532 635 HA ASN 81 HA ASN 81 -14.628 9.030 -1.305 636 1HB ASN 81 2HB ASN 81 -14.593 9.100 -4.175 637 2HB ASN 81 1HB ASN 81 -16.193 9.600 -3.627 638 1HD2 ASN 81 1HD2 ASN 81 -16.362 11.759 -3.000 639 2HD2 ASN 81 2HD2 ASN 81 -15.054 12.751 -2.569 640 H ILE 82 H ILE 82 -16.216 6.499 -3.147 641 HA ILE 82 HA ILE 82 -18.721 6.899 -1.552 642 HB ILE 82 HB ILE 82 -19.800 5.721 -3.404 643 1HG1 ILE 82 2HG1 ILE 82 -18.519 4.865 -5.292 644 2HG1 ILE 82 1HG1 ILE 82 -17.018 5.467 -4.591 645 1HG2 ILE 82 1HG2 ILE 82 -18.161 7.378 -5.131 646 2HG2 ILE 82 2HG2 ILE 82 -18.493 8.204 -3.608 647 3HG2 ILE 82 3HG2 ILE 82 -19.827 7.627 -4.607 648 1HD1 ILE 82 1HD1 ILE 82 -18.489 3.791 -2.714 649 2HD1 ILE 82 2HD1 ILE 82 -16.815 3.662 -3.255 650 3HD1 ILE 82 3HD1 ILE 82 -18.107 2.928 -4.204 651 H ALA 83 H ALA 83 -16.139 4.677 -2.399 652 HA ALA 83 HA ALA 83 -17.284 2.251 -1.393 653 1HB ALA 83 1HB ALA 83 -14.390 2.604 -1.047 654 2HB ALA 83 2HB ALA 83 -14.958 3.111 -2.638 655 3HB ALA 83 3HB ALA 83 -15.261 1.467 -2.076 656 H LYS 84 H LYS 84 -14.856 4.412 0.182 657 HA LYS 84 HA LYS 84 -14.963 3.189 2.735 658 1HB LYS 84 2HB LYS 84 -13.671 5.041 3.369 659 2HB LYS 84 1HB LYS 84 -13.429 5.013 1.621 660 1HG LYS 84 2HG LYS 84 -15.002 6.765 1.269 661 2HG LYS 84 1HG LYS 84 -15.643 6.618 2.905 662 1HD LYS 84 2HD LYS 84 -14.025 7.940 3.773 663 2HD LYS 84 1HD LYS 84 -12.757 7.132 2.850 664 1HE LYS 84 2HE LYS 84 -13.923 8.436 0.818 665 2HE LYS 84 1HE LYS 84 -14.371 9.542 2.132 666 1HZ LYS 84 1HZ LYS 84 -11.765 8.742 2.621 667 2HZ LYS 84 2HZ LYS 84 -11.823 9.130 0.968 668 H GLN 85 H GLN 85 -17.055 5.647 1.265 669 HA GLN 85 HA GLN 85 -18.412 6.408 3.699 670 1HB GLN 85 2HB GLN 85 -18.552 7.894 1.872 671 2HB GLN 85 1HB GLN 85 -18.914 6.599 0.732 672 1HG GLN 85 2HG GLN 85 -21.032 6.324 2.373 673 2HG GLN 85 1HG GLN 85 -20.730 8.048 2.590 674 1HE2 GLN 85 1HE2 GLN 85 -20.493 5.873 -0.288 675 2HE2 GLN 85 2HE2 GLN 85 -21.471 6.844 -1.280 676 H LEU 86 H LEU 86 -18.780 3.782 1.402 677 HA LEU 86 HA LEU 86 -21.424 2.984 2.419 678 1HB LEU 86 2HB LEU 86 -20.732 2.726 0.059 679 2HB LEU 86 1HB LEU 86 -19.431 1.652 0.569 680 HG LEU 86 HG LEU 86 -20.859 -0.081 0.482 681 1HD1 LEU 86 1HD1 LEU 86 -21.286 0.071 2.788 682 2HD1 LEU 86 2HD1 LEU 86 -22.908 0.055 2.094 683 3HD1 LEU 86 3HD1 LEU 86 -22.187 1.578 2.617 684 1HD2 LEU 86 1HD2 LEU 86 -22.461 0.381 -1.035 685 2HD2 LEU 86 2HD2 LEU 86 -22.414 2.092 -0.612 686 3HD2 LEU 86 3HD2 LEU 86 -23.471 0.993 0.274 687 H ALA 87 H ALA 87 -18.064 1.819 2.599 688 HA ALA 87 HA ALA 87 -18.806 -0.355 4.448 689 1HB ALA 87 1HB ALA 87 -17.119 -0.722 2.738 690 2HB ALA 87 2HB ALA 87 -16.321 -0.758 4.310 691 3HB ALA 87 3HB ALA 87 -16.199 0.677 3.292 692 H GLU 88 H GLU 88 -16.461 2.369 4.625 693 HA GLU 88 HA GLU 88 -15.656 2.392 7.195 694 1HB GLU 88 2HB GLU 88 -15.135 4.544 6.706 695 2HB GLU 88 1HB GLU 88 -15.852 4.191 5.140 696 1HG GLU 88 2HG GLU 88 -17.937 5.146 5.752 697 2HG GLU 88 1HG GLU 88 -17.524 5.141 7.467 698 H LYS 89 H LYS 89 -18.984 2.818 6.183 699 HA LYS 89 HA LYS 89 -19.993 3.943 8.646 700 1HB LYS 89 2HB LYS 89 -21.372 4.175 6.761 701 2HB LYS 89 1HB LYS 89 -21.088 2.516 6.232 702 1HG LYS 89 2HG LYS 89 -22.241 2.101 8.678 703 2HG LYS 89 1HG LYS 89 -23.072 3.565 8.151 704 1HD LYS 89 2HD LYS 89 -22.769 1.450 6.094 705 2HD LYS 89 1HD LYS 89 -23.856 1.068 7.429 706 1HE LYS 89 2HE LYS 89 -25.435 2.511 6.666 707 2HE LYS 89 1HE LYS 89 -24.237 3.799 6.428 708 1HZ LYS 89 1HZ LYS 89 -25.381 2.268 4.455 709 2HZ LYS 89 2HZ LYS 89 -24.022 3.274 4.290 710 H PHE 90 H PHE 90 -21.518 1.006 7.706 711 HA PHE 90 HA PHE 90 -20.656 -0.269 10.279 712 1HB PHE 90 2HB PHE 90 -23.136 0.411 9.412 713 2HB PHE 90 1HB PHE 90 -23.029 -1.227 8.765 714 HD1 PHE 90 1HD PHE 90 -21.412 -2.642 10.730 715 HD2 PHE 90 2HD PHE 90 -24.478 0.304 11.337 716 HE1 PHE 90 1HE PHE 90 -21.851 -3.565 12.990 717 HE2 PHE 90 2HE PHE 90 -24.918 -0.619 13.597 718 HZ PHE 90 HZ PHE 90 -23.604 -2.554 14.423 719 H SER 91 H SER 91 -19.941 -0.389 7.069 720 HA SER 91 HA SER 91 -20.092 -3.240 6.552 721 1HB SER 91 2HB SER 91 -19.917 -1.039 5.036 722 2HB SER 91 1HB SER 91 -18.201 -1.427 5.121 723 HG SER 91 HG SER 91 -18.817 -2.667 3.489 724 H VAL 92 H VAL 92 -17.124 -1.242 6.523 725 HA VAL 92 HA VAL 92 -15.754 -3.445 8.032 726 HB VAL 92 HB VAL 92 -14.250 -1.592 6.250 727 1HG1 VAL 92 1HG1 VAL 92 -13.159 -3.459 7.428 728 2HG1 VAL 92 2HG1 VAL 92 -13.099 -3.708 5.683 729 3HG1 VAL 92 3HG1 VAL 92 -14.266 -4.598 6.661 730 1HG2 VAL 92 1HG2 VAL 92 -14.979 -2.622 4.216 731 2HG2 VAL 92 2HG2 VAL 92 -16.449 -2.155 5.070 732 3HG2 VAL 92 3HG2 VAL 92 -15.917 -3.836 5.087 733 H TYR 93 H TYR 93 -16.963 -0.475 8.510 734 HA TYR 93 HA TYR 93 -15.094 1.352 9.356 735 1HB TYR 93 2HB TYR 93 -17.096 2.159 10.027 736 2HB TYR 93 1HB TYR 93 -17.789 0.537 10.061 737 HD1 TYR 93 1HD TYR 93 -18.148 -0.596 12.110 738 HD2 TYR 93 2HD TYR 93 -15.700 2.932 12.014 739 HE1 TYR 93 1HE TYR 93 -18.083 -0.574 14.589 740 HE2 TYR 93 2HE TYR 93 -15.636 2.955 14.494 741 HH TYR 93 HH TYR 93 -16.903 2.117 16.371 742 H ASP 94 H ASP 94 -15.757 -1.773 10.837 743 HA ASP 94 HA ASP 94 -14.034 -1.193 13.172 744 1HB ASP 94 2HB ASP 94 -14.712 -3.881 13.178 745 2HB ASP 94 1HB ASP 94 -15.648 -2.595 13.941 746 H GLN 95 H GLN 95 -14.110 -3.729 10.632 747 HA GLN 95 HA GLN 95 -11.512 -4.769 11.116 748 1HB GLN 95 2HB GLN 95 -13.677 -5.049 9.284 749 2HB GLN 95 1HB GLN 95 -12.198 -4.890 8.334 750 1HG GLN 95 2HG GLN 95 -11.524 -6.959 8.908 751 2HG GLN 95 1HG GLN 95 -11.761 -6.615 10.621 752 1HE2 GLN 95 1HE2 GLN 95 -13.670 -7.416 11.626 753 2HE2 GLN 95 2HE2 GLN 95 -14.853 -8.310 10.800 754 H LEU 96 H LEU 96 -12.565 -2.191 8.870 755 HA LEU 96 HA LEU 96 -9.791 -1.701 7.999 756 1HB LEU 96 2HB LEU 96 -12.159 0.057 7.415 757 2HB LEU 96 1HB LEU 96 -10.819 -0.389 6.357 758 HG LEU 96 HG LEU 96 -13.187 -2.076 7.178 759 1HD1 LEU 96 1HD1 LEU 96 -13.208 -0.530 5.138 760 2HD1 LEU 96 2HD1 LEU 96 -13.581 -2.226 4.827 761 3HD1 LEU 96 3HD1 LEU 96 -11.980 -1.590 4.447 762 1HD2 LEU 96 1HD2 LEU 96 -10.466 -2.930 6.798 763 2HD2 LEU 96 2HD2 LEU 96 -11.447 -3.527 5.459 764 3HD2 LEU 96 3HD2 LEU 96 -11.890 -3.918 7.121 765 H LYS 97 H LYS 97 -10.577 -1.248 10.876 766 HA LYS 97 HA LYS 97 -10.941 1.454 11.564 767 1HB LYS 97 2HB LYS 97 -10.083 -1.010 12.752 768 2HB LYS 97 1HB LYS 97 -9.002 0.272 13.300 769 1HG LYS 97 2HG LYS 97 -11.744 1.200 13.303 770 2HG LYS 97 1HG LYS 97 -11.592 -0.276 14.258 771 1HD LYS 97 2HD LYS 97 -10.037 0.680 15.728 772 2HD LYS 97 1HD LYS 97 -9.582 1.938 14.579 773 1HE LYS 97 2HE LYS 97 -11.614 3.148 14.940 774 2HE LYS 97 1HE LYS 97 -12.356 1.780 15.794 775 1HZ LYS 97 1HZ LYS 97 -11.394 3.521 17.285 776 2HZ LYS 97 2HZ LYS 97 -10.772 1.961 17.538 777 HA PRO 98 HA PRO 98 -6.129 2.007 11.435 778 1HB PRO 98 2HB PRO 98 -5.266 -0.252 9.738 779 2HB PRO 98 1HB PRO 98 -4.594 0.315 11.278 780 1HG PRO 98 2HG PRO 98 -5.998 -1.977 11.044 781 2HG PRO 98 1HG PRO 98 -5.972 -1.001 12.520 782 1HD PRO 98 2HD PRO 98 -8.112 -1.282 10.480 783 2HD PRO 98 1HD PRO 98 -8.239 -0.981 12.227 784 H LEU 99 H LEU 99 -7.021 0.135 8.504 785 HA LEU 99 HA LEU 99 -5.908 1.749 6.529 786 1HB LEU 99 2HB LEU 99 -7.000 -0.363 6.076 787 2HB LEU 99 1HB LEU 99 -8.549 0.263 6.641 788 HG LEU 99 HG LEU 99 -9.001 1.179 4.631 789 1HD1 LEU 99 1HD1 LEU 99 -6.600 2.268 3.603 790 2HD1 LEU 99 2HD1 LEU 99 -6.573 2.566 5.341 791 3HD1 LEU 99 3HD1 LEU 99 -7.929 3.140 4.369 792 1HD2 LEU 99 1HD2 LEU 99 -7.257 -0.942 4.202 793 2HD2 LEU 99 2HD2 LEU 99 -6.573 0.350 3.216 794 3HD2 LEU 99 3HD2 LEU 99 -8.243 -0.160 2.967 795 H PHE 100 H PHE 100 -8.983 2.251 8.253 796 HA PHE 100 HA PHE 100 -9.674 4.631 6.688 797 1HB PHE 100 2HB PHE 100 -10.888 2.791 8.500 798 2HB PHE 100 1HB PHE 100 -11.079 4.407 9.183 799 HD1 PHE 100 1HD PHE 100 -12.370 2.070 6.838 800 HD2 PHE 100 2HD PHE 100 -11.832 6.280 7.500 801 HE1 PHE 100 1HE PHE 100 -14.159 2.559 5.192 802 HE2 PHE 100 2HE PHE 100 -13.620 6.768 5.853 803 HZ PHE 100 HZ PHE 100 -14.783 4.907 4.698 804 H ASP 101 H ASP 101 -7.976 3.916 9.676 805 HA ASP 101 HA ASP 101 -8.119 6.561 10.836 806 1HB ASP 101 2HB ASP 101 -6.440 4.080 11.151 807 2HB ASP 101 1HB ASP 101 -6.008 5.550 12.027 808 H PHE 102 H PHE 102 -6.168 5.111 8.331 809 HA PHE 102 HA PHE 102 -4.682 6.209 6.828 810 1HB PHE 102 2HB PHE 102 -6.237 8.179 7.721 811 2HB PHE 102 1HB PHE 102 -4.759 8.655 8.557 812 HD1 PHE 102 1HD PHE 102 -2.837 9.479 7.353 813 HD2 PHE 102 2HD PHE 102 -6.293 8.043 5.244 814 HE1 PHE 102 1HE PHE 102 -1.953 10.445 5.247 815 HE2 PHE 102 2HE PHE 102 -5.409 9.010 3.137 816 HZ PHE 102 HZ PHE 102 -3.239 10.211 3.139 817 H THR 103 H THR 103 -2.591 5.525 7.021 818 HA THR 103 HA THR 103 -1.236 5.405 9.600 819 HB THR 103 HB THR 103 0.599 4.501 8.145 820 HG1 THR 103 1HG THR 103 -0.368 4.208 5.874 821 1HG2 THR 103 1HG2 THR 103 -1.852 3.383 8.751 822 2HG2 THR 103 2HG2 THR 103 -0.472 2.509 8.085 823 3HG2 THR 103 3HG2 THR 103 -1.729 3.123 7.011 824 H GLN 104 H GLN 104 -0.963 7.583 10.312 825 HA GLN 104 HA GLN 104 0.676 9.378 8.566 826 1HB GLN 104 2HB GLN 104 -1.657 9.859 9.778 827 2HB GLN 104 1HB GLN 104 -0.597 10.223 11.140 828 1HG GLN 104 2HG GLN 104 0.725 11.595 9.272 829 2HG GLN 104 1HG GLN 104 -0.870 11.634 8.521 830 1HE2 GLN 104 1HE2 GLN 104 -1.718 11.383 11.641 831 2HE2 GLN 104 2HE2 GLN 104 -1.752 13.016 12.100 832 H THR 105 H THR 105 2.440 10.593 9.713 833 HA THR 105 HA THR 105 3.780 8.827 11.707 834 HB THR 105 HB THR 105 5.726 9.560 10.724 835 HG1 THR 105 1HG THR 105 5.603 11.813 9.715 836 1HG2 THR 105 1HG2 THR 105 3.980 10.639 8.528 837 2HG2 THR 105 2HG2 THR 105 3.955 8.920 8.917 838 3HG2 THR 105 3HG2 THR 105 5.458 9.686 8.401 839 H ASP 106 H ASP 106 3.166 9.428 13.766 840 HA ASP 106 HA ASP 106 2.297 11.977 14.640 841 1HB ASP 106 2HB ASP 106 3.021 9.400 15.705 842 2HB ASP 106 1HB ASP 106 3.687 10.661 16.744 843 H GLY 107 H GLY 107 4.917 11.895 13.024 844 1HA GLY 107 2HA GLY 107 6.596 13.624 13.026 845 2HA GLY 107 1HA GLY 107 6.373 13.803 14.768 846 H SER 108 H SER 108 6.397 10.664 14.713 847 HA SER 108 HA SER 108 9.310 10.464 15.211 848 1HB SER 108 2HB SER 108 6.808 8.991 15.874 849 2HB SER 108 1HB SER 108 8.280 8.029 15.780 850 HG SER 108 HG SER 108 9.204 9.335 17.327 851 H ALA 109 H ALA 109 10.691 9.164 13.955 852 HA ALA 109 HA ALA 109 10.580 8.796 11.291 853 1HB ALA 109 1HB ALA 109 11.783 6.577 11.711 854 2HB ALA 109 2HB ALA 109 11.406 6.803 13.418 855 3HB ALA 109 3HB ALA 109 12.430 7.969 12.581 856 H SER 110 H SER 110 8.873 8.174 10.011 857 HA SER 110 HA SER 110 7.132 5.927 10.959 858 1HB SER 110 2HB SER 110 5.805 7.837 10.665 859 2HB SER 110 1HB SER 110 6.754 8.403 9.294 860 HG SER 110 HG SER 110 4.717 7.503 8.687 861 HA PRO 111 HA PRO 111 9.300 3.849 7.598 862 1HB PRO 111 2HB PRO 111 8.293 1.363 8.247 863 2HB PRO 111 1HB PRO 111 9.733 2.074 9.000 864 1HG PRO 111 2HG PRO 111 6.957 1.885 10.031 865 2HG PRO 111 1HG PRO 111 8.497 1.788 10.899 866 1HD PRO 111 2HD PRO 111 6.893 3.997 10.900 867 2HD PRO 111 1HD PRO 111 8.654 4.054 11.135 868 HA PRO 112 HA PRO 112 6.011 3.935 4.671 869 1HB PRO 112 2HB PRO 112 7.496 1.798 3.249 870 2HB PRO 112 1HB PRO 112 7.045 3.418 2.688 871 1HG PRO 112 2HG PRO 112 9.572 2.759 3.333 872 2HG PRO 112 1HG PRO 112 8.918 4.389 3.553 873 1HD PRO 112 2HD PRO 112 9.500 2.301 5.577 874 2HD PRO 112 1HD PRO 112 9.538 4.072 5.726 875 HA PRO 113 HA PRO 113 3.221 0.677 5.540 876 1HB PRO 113 2HB PRO 113 2.871 0.239 2.615 877 2HB PRO 113 1HB PRO 113 1.656 0.618 3.851 878 1HG PRO 113 2HG PRO 113 2.511 2.436 2.072 879 2HG PRO 113 1HG PRO 113 2.017 2.866 3.714 880 1HD PRO 113 2HD PRO 113 4.726 2.763 2.533 881 2HD PRO 113 1HD PRO 113 4.110 3.744 3.881 882 H ALA 114 H ALA 114 3.326 -1.151 2.781 883 HA ALA 114 HA ALA 114 4.255 -3.532 3.692 884 1HB ALA 114 1HB ALA 114 4.382 -4.050 1.465 885 2HB ALA 114 2HB ALA 114 5.493 -2.724 1.124 886 3HB ALA 114 3HB ALA 114 3.761 -2.414 1.247 887 HA PRO 115 HA PRO 115 8.269 -2.795 5.408 888 1HB PRO 115 2HB PRO 115 8.672 -5.679 4.819 889 2HB PRO 115 1HB PRO 115 8.797 -4.817 6.364 890 1HG PRO 115 2HG PRO 115 6.733 -6.434 5.775 891 2HG PRO 115 1HG PRO 115 6.568 -5.005 6.807 892 1HD PRO 115 2HD PRO 115 5.662 -5.429 4.021 893 2HD PRO 115 1HD PRO 115 4.992 -4.378 5.287 894 H LYS 116 H LYS 116 9.722 -1.780 4.067 895 HA LYS 116 HA LYS 116 10.238 -2.732 1.342 896 1HB LYS 116 2HB LYS 116 10.242 -0.323 2.629 897 2HB LYS 116 1HB LYS 116 11.969 -0.683 2.604 898 1HG LYS 116 2HG LYS 116 10.592 0.463 0.524 899 2HG LYS 116 1HG LYS 116 12.116 -0.411 0.354 900 1HD LYS 116 2HD LYS 116 10.841 -2.514 -0.014 901 2HD LYS 116 1HD LYS 116 9.338 -1.596 0.078 902 1HE LYS 116 2HE LYS 116 10.021 -1.932 -2.284 903 2HE LYS 116 1HE LYS 116 10.095 -0.210 -1.856 904 1HZ LYS 116 1HZ LYS 116 12.296 -0.197 -2.084 905 2HZ LYS 116 2HZ LYS 116 12.179 -1.739 -2.788 906 H HIS 117 H HIS 117 12.396 -3.352 0.593 907 HA HIS 117 HA HIS 117 13.769 -5.180 2.374 908 1HB HIS 117 2HB HIS 117 14.863 -5.795 0.420 909 2HB HIS 117 1HB HIS 117 13.441 -5.007 -0.265 910 HD1 HIS 117 1HD HIS 117 14.332 -2.050 0.329 911 HD2 HIS 117 2HD HIS 117 16.720 -4.932 -1.506 912 HE1 HIS 117 1HE HIS 117 16.076 -0.790 -1.007 913 H HIS 118 H HIS 118 15.361 -4.650 3.817 914 HA HIS 118 HA HIS 118 16.322 -2.002 4.246 915 1HB HIS 118 2HB HIS 118 16.396 -4.463 5.493 916 2HB HIS 118 1HB HIS 118 18.086 -4.222 5.049 917 HD1 HIS 118 1HD HIS 118 16.588 -0.984 5.459 918 HD2 HIS 118 2HD HIS 118 18.134 -3.838 8.074 919 HE1 HIS 118 1HE HIS 118 17.052 0.220 7.639 920 H HIS 119 H HIS 119 18.223 -0.963 3.557 921 HA HIS 119 HA HIS 119 19.373 -1.757 1.030 922 1HB HIS 119 2HB HIS 119 20.334 0.338 1.161 923 2HB HIS 119 1HB HIS 119 19.105 0.541 2.410 924 HD1 HIS 119 1HD HIS 119 22.633 0.914 1.913 925 HD2 HIS 119 2HD HIS 119 20.263 -0.349 5.102 926 HE1 HIS 119 1HE HIS 119 24.071 1.097 3.991 927 H ALA 120 H ALA 120 20.742 -3.501 0.883 928 HA ALA 120 HA ALA 120 22.064 -4.946 2.804 929 1HB ALA 120 1HB ALA 120 22.056 -5.434 0.395 930 2HB ALA 120 2HB ALA 120 23.712 -5.449 1.002 931 3HB ALA 120 3HB ALA 120 23.117 -4.056 0.098 932 H SER 121 H SER 121 24.379 -4.917 3.511 933 HA SER 121 HA SER 121 25.214 -2.153 4.221 934 1HB SER 121 2HB SER 121 25.299 -3.416 6.139 935 2HB SER 121 1HB SER 121 25.527 -4.921 5.253 936 HG SER 121 HG SER 121 27.367 -3.180 6.300 937 H LYS 122 H LYS 122 26.319 -1.378 2.379 938 HA LYS 122 HA LYS 122 28.244 -3.026 0.922 939 1HB LYS 122 2HB LYS 122 26.717 -0.950 0.264 940 2HB LYS 122 1HB LYS 122 28.129 -0.032 0.789 941 1HG LYS 122 2HG LYS 122 28.577 -0.376 -1.486 942 2HG LYS 122 1HG LYS 122 29.460 -1.699 -0.724 943 1HD LYS 122 2HD LYS 122 27.093 -2.923 -1.020 944 2HD LYS 122 1HD LYS 122 26.965 -1.776 -2.354 945 1HE LYS 122 2HE LYS 122 28.106 -4.121 -2.770 946 2HE LYS 122 1HE LYS 122 28.849 -2.666 -3.462 947 1HZ LYS 122 1HZ LYS 122 30.101 -4.370 -1.780 948 2HZ LYS 122 2HZ LYS 122 30.550 -2.750 -2.026 949 H VAL 123 H VAL 123 30.402 -3.227 1.406 950 HA VAL 123 HA VAL 123 31.530 -1.428 3.522 951 HB VAL 123 HB VAL 123 33.161 -3.679 3.206 952 1HG1 VAL 123 1HG1 VAL 123 32.035 -4.401 5.344 953 2HG1 VAL 123 2HG1 VAL 123 30.867 -3.102 5.102 954 3HG1 VAL 123 3HG1 VAL 123 32.572 -2.721 5.349 955 1HG2 VAL 123 1HG2 VAL 123 31.650 -4.879 1.826 956 2HG2 VAL 123 2HG2 VAL 123 30.245 -4.312 2.728 957 3HG2 VAL 123 3HG2 VAL 123 31.336 -5.495 3.448 958 H ASP 124 H ASP 124 33.524 -0.414 3.109 959 HA ASP 124 HA ASP 124 34.245 0.303 0.481 960 1HB ASP 124 2HB ASP 124 35.840 1.517 1.593 961 2HB ASP 124 1HB ASP 124 34.960 0.978 3.023 Start of MODEL 12 1 H SER 2 H SER 2 0.915 -6.585 6.839 2 HA SER 2 HA SER 2 -0.138 -7.744 8.683 3 1HB SER 2 2HB SER 2 0.688 -5.162 10.033 4 2HB SER 2 1HB SER 2 -0.229 -6.418 10.859 5 HG SER 2 HG SER 2 2.297 -6.726 9.589 6 H ASN 3 H ASN 3 -1.448 -5.147 10.292 7 HA ASN 3 HA ASN 3 -4.001 -5.400 8.820 8 1HB ASN 3 2HB ASN 3 -3.109 -4.964 11.487 9 2HB ASN 3 1HB ASN 3 -4.030 -3.536 11.012 10 1HD2 ASN 3 1HD2 ASN 3 -4.838 -6.515 9.391 11 2HD2 ASN 3 2HD2 ASN 3 -6.283 -6.816 10.229 12 H GLN 4 H GLN 4 -1.286 -3.364 8.747 13 HA GLN 4 HA GLN 4 -2.548 -0.807 8.286 14 1HB GLN 4 2HB GLN 4 0.076 -2.039 8.339 15 2HB GLN 4 1HB GLN 4 -0.056 -0.935 6.969 16 1HG GLN 4 2HG GLN 4 -0.289 -0.348 9.903 17 2HG GLN 4 1HG GLN 4 0.603 0.528 8.658 18 1HE2 GLN 4 1HE2 GLN 4 -1.583 1.452 10.613 19 2HE2 GLN 4 2HE2 GLN 4 -2.740 2.196 9.618 20 H ILE 5 H ILE 5 -1.805 0.223 5.963 21 HA ILE 5 HA ILE 5 -3.029 -1.563 3.887 22 HB ILE 5 HB ILE 5 -3.344 1.239 4.732 23 1HG1 ILE 5 2HG1 ILE 5 -5.550 0.886 3.615 24 2HG1 ILE 5 1HG1 ILE 5 -4.986 -0.691 3.061 25 1HG2 ILE 5 1HG2 ILE 5 -2.481 0.596 1.995 26 2HG2 ILE 5 2HG2 ILE 5 -2.536 2.153 2.819 27 3HG2 ILE 5 3HG2 ILE 5 -3.992 1.502 2.065 28 1HD1 ILE 5 1HD1 ILE 5 -6.359 -0.749 5.189 29 2HD1 ILE 5 2HD1 ILE 5 -5.041 0.118 5.978 30 3HD1 ILE 5 3HD1 ILE 5 -4.765 -1.494 5.318 31 H TYR 6 H TYR 6 -0.949 -2.462 3.252 32 HA TYR 6 HA TYR 6 1.385 -0.946 2.637 33 1HB TYR 6 2HB TYR 6 0.860 -3.302 0.962 34 2HB TYR 6 1HB TYR 6 2.148 -3.028 2.135 35 HD1 TYR 6 1HD TYR 6 1.144 -2.793 4.677 36 HD2 TYR 6 2HD TYR 6 -0.574 -5.064 1.461 37 HE1 TYR 6 1HE TYR 6 -0.042 -4.223 6.319 38 HE2 TYR 6 2HE TYR 6 -1.760 -6.494 3.103 39 HH TYR 6 HH TYR 6 -1.686 -5.766 6.562 40 H SER 7 H SER 7 2.251 -0.638 0.367 41 HA SER 7 HA SER 7 0.055 0.220 -1.492 42 1HB SER 7 2HB SER 7 1.300 2.075 -0.504 43 2HB SER 7 1HB SER 7 2.829 1.332 -0.962 44 HG SER 7 HG SER 7 2.595 2.214 -2.845 45 H ALA 8 H ALA 8 0.388 -0.204 -3.738 46 HA ALA 8 HA ALA 8 2.807 -1.743 -4.533 47 1HB ALA 8 1HB ALA 8 1.213 -3.401 -3.716 48 2HB ALA 8 2HB ALA 8 1.294 -3.514 -5.474 49 3HB ALA 8 3HB ALA 8 -0.069 -2.700 -4.703 50 H ARG 9 H ARG 9 3.041 -1.819 -6.891 51 HA ARG 9 HA ARG 9 1.208 0.029 -8.373 52 1HB ARG 9 2HB ARG 9 3.033 1.417 -8.005 53 2HB ARG 9 1HB ARG 9 4.171 0.072 -7.963 54 1HG ARG 9 2HG ARG 9 4.671 0.463 -10.120 55 2HG ARG 9 1HG ARG 9 3.005 0.077 -10.550 56 1HD ARG 9 2HD ARG 9 2.783 2.244 -11.193 57 2HD ARG 9 1HD ARG 9 2.902 2.684 -9.477 58 HE ARG 9 HE ARG 9 5.000 3.581 -10.084 59 1HH1 ARG 9 1HH1 ARG 9 4.321 0.644 -11.758 60 1HH2 ARG 9 1HH2 ARG 9 7.027 3.500 -11.078 61 2HH2 ARG 9 2HH2 ARG 9 7.405 2.186 -12.141 62 H TYR 10 H TYR 10 0.299 -1.211 -9.959 63 HA TYR 10 HA TYR 10 2.093 -2.899 -11.636 64 1HB TYR 10 2HB TYR 10 -0.553 -3.872 -10.533 65 2HB TYR 10 1HB TYR 10 0.700 -4.824 -11.329 66 HD1 TYR 10 1HD TYR 10 3.129 -4.536 -10.169 67 HD2 TYR 10 2HD TYR 10 -0.660 -4.016 -8.214 68 HE1 TYR 10 1HE TYR 10 4.204 -4.959 -7.975 69 HE2 TYR 10 2HE TYR 10 0.415 -4.438 -6.019 70 HH TYR 10 HH TYR 10 3.903 -5.160 -5.791 71 H SER 11 H SER 11 0.954 -3.539 -13.693 72 HA SER 11 HA SER 11 -0.294 -2.942 -15.609 73 1HB SER 11 2HB SER 11 -2.237 -1.946 -13.507 74 2HB SER 11 1HB SER 11 -2.627 -2.495 -15.134 75 HG SER 11 HG SER 11 -1.432 -4.066 -13.087 76 H GLY 12 H GLY 12 1.569 -0.937 -14.379 77 1HA GLY 12 2HA GLY 12 2.189 1.266 -14.925 78 2HA GLY 12 1HA GLY 12 0.779 1.342 -15.981 79 H VAL 13 H VAL 13 -0.567 0.359 -13.222 80 HA VAL 13 HA VAL 13 -0.929 3.156 -12.190 81 HB VAL 13 HB VAL 13 -3.010 1.002 -11.979 82 1HG1 VAL 13 1HG1 VAL 13 -3.742 2.943 -10.930 83 2HG1 VAL 13 2HG1 VAL 13 -4.357 3.204 -12.563 84 3HG1 VAL 13 3HG1 VAL 13 -2.869 3.996 -12.043 85 1HG2 VAL 13 1HG2 VAL 13 -3.775 2.169 -14.271 86 2HG2 VAL 13 2HG2 VAL 13 -2.755 0.730 -14.256 87 3HG2 VAL 13 3HG2 VAL 13 -2.030 2.323 -14.470 88 H ASP 14 H ASP 14 -0.420 3.384 -10.034 89 HA ASP 14 HA ASP 14 0.400 1.052 -8.476 90 1HB ASP 14 2HB ASP 14 0.503 3.134 -6.767 91 2HB ASP 14 1HB ASP 14 1.724 2.880 -8.013 92 H VAL 15 H VAL 15 -0.545 0.481 -6.406 93 HA VAL 15 HA VAL 15 -3.255 1.532 -5.792 94 HB VAL 15 HB VAL 15 -4.346 -0.413 -6.351 95 1HG1 VAL 15 1HG1 VAL 15 -3.304 -1.508 -8.324 96 2HG1 VAL 15 2HG1 VAL 15 -1.783 -0.695 -7.951 97 3HG1 VAL 15 3HG1 VAL 15 -3.199 0.250 -8.414 98 1HG2 VAL 15 1HG2 VAL 15 -3.306 -1.821 -4.701 99 2HG2 VAL 15 2HG2 VAL 15 -1.774 -1.814 -5.574 100 3HG2 VAL 15 3HG2 VAL 15 -3.166 -2.666 -6.244 101 H TYR 16 H TYR 16 -4.055 0.156 -3.735 102 HA TYR 16 HA TYR 16 -1.689 -0.209 -1.923 103 1HB TYR 16 2HB TYR 16 -4.200 0.517 -0.633 104 2HB TYR 16 1HB TYR 16 -2.637 1.327 -0.550 105 HD1 TYR 16 1HD TYR 16 -5.750 2.247 -1.053 106 HD2 TYR 16 2HD TYR 16 -2.154 1.997 -3.388 107 HE1 TYR 16 1HE TYR 16 -6.597 4.035 -2.549 108 HE2 TYR 16 2HE TYR 16 -3.000 3.785 -4.884 109 HH TYR 16 HH TYR 16 -6.050 4.659 -5.158 110 H GLU 17 H GLU 17 -1.713 -2.128 -0.729 111 HA GLU 17 HA GLU 17 -4.156 -3.851 -1.021 112 1HB GLU 17 2HB GLU 17 -2.762 -5.589 -1.581 113 2HB GLU 17 1HB GLU 17 -1.693 -4.273 -2.068 114 1HG GLU 17 2HG GLU 17 -0.493 -4.363 0.006 115 2HG GLU 17 1HG GLU 17 -1.691 -5.441 0.724 116 H PHE 18 H PHE 18 -5.176 -3.983 0.926 117 HA PHE 18 HA PHE 18 -3.490 -4.187 3.402 118 1HB PHE 18 2HB PHE 18 -6.059 -3.237 4.060 119 2HB PHE 18 1HB PHE 18 -4.571 -2.291 4.000 120 HD1 PHE 18 1HD PHE 18 -3.858 -2.086 1.243 121 HD2 PHE 18 2HD PHE 18 -7.782 -2.085 2.990 122 HE1 PHE 18 1HE PHE 18 -4.729 -0.836 -0.715 123 HE2 PHE 18 2HE PHE 18 -8.653 -0.836 1.033 124 HZ PHE 18 HZ PHE 18 -7.127 -0.211 -0.819 125 H ILE 19 H ILE 19 -4.241 -5.710 4.976 126 HA ILE 19 HA ILE 19 -5.843 -7.920 3.895 127 HB ILE 19 HB ILE 19 -5.146 -8.992 5.982 128 1HG1 ILE 19 2HG1 ILE 19 -5.074 -7.691 7.827 129 2HG1 ILE 19 1HG1 ILE 19 -3.532 -7.071 7.236 130 1HG2 ILE 19 1HG2 ILE 19 -2.634 -7.602 5.591 131 2HG2 ILE 19 2HG2 ILE 19 -3.417 -7.914 4.041 132 3HG2 ILE 19 3HG2 ILE 19 -3.071 -9.250 5.141 133 1HD1 ILE 19 1HD1 ILE 19 -4.454 -5.052 6.878 134 2HD1 ILE 19 2HD1 ILE 19 -5.978 -5.650 7.535 135 3HD1 ILE 19 3HD1 ILE 19 -5.655 -5.773 5.806 136 H HIS 20 H HIS 20 -8.008 -8.208 4.287 137 HA HIS 20 HA HIS 20 -9.259 -6.965 6.674 138 1HB HIS 20 2HB HIS 20 -9.885 -6.341 3.776 139 2HB HIS 20 1HB HIS 20 -11.007 -5.976 5.087 140 HD1 HIS 20 1HD HIS 20 -10.668 -3.780 6.228 141 HD2 HIS 20 2HD HIS 20 -7.221 -5.030 4.245 142 HE1 HIS 20 1HE HIS 20 -8.990 -1.897 6.453 143 H SER 21 H SER 21 -11.866 -7.408 5.030 144 HA SER 21 HA SER 21 -12.510 -10.011 6.040 145 1HB SER 21 2HB SER 21 -14.578 -9.639 4.848 146 2HB SER 21 1HB SER 21 -14.036 -8.066 5.428 147 HG SER 21 HG SER 21 -14.595 -8.706 2.978 148 H THR 22 H THR 22 -11.514 -8.864 2.821 149 HA THR 22 HA THR 22 -11.473 -11.656 1.793 150 HB THR 22 HB THR 22 -11.589 -8.888 0.732 151 HG1 THR 22 1HG THR 22 -12.526 -10.589 -0.962 152 1HG2 THR 22 1HG2 THR 22 -10.750 -10.070 -1.529 153 2HG2 THR 22 2HG2 THR 22 -9.761 -10.961 -0.373 154 3HG2 THR 22 3HG2 THR 22 -9.651 -9.202 -0.457 155 H GLY 23 H GLY 23 -9.501 -10.005 3.697 156 1HA GLY 23 2HA GLY 23 -7.222 -10.612 4.171 157 2HA GLY 23 1HA GLY 23 -7.066 -11.214 2.518 158 H SER 24 H SER 24 -5.769 -9.949 1.292 159 HA SER 24 HA SER 24 -5.070 -7.231 2.080 160 1HB SER 24 2HB SER 24 -4.057 -9.322 0.485 161 2HB SER 24 1HB SER 24 -4.361 -7.990 -0.628 162 HG SER 24 HG SER 24 -2.905 -6.796 0.385 163 H ILE 25 H ILE 25 -5.954 -5.338 1.294 164 HA ILE 25 HA ILE 25 -8.103 -5.588 -0.782 165 HB ILE 25 HB ILE 25 -7.625 -3.562 1.429 166 1HG1 ILE 25 2HG1 ILE 25 -9.718 -5.742 1.145 167 2HG1 ILE 25 1HG1 ILE 25 -8.312 -5.826 2.207 168 1HG2 ILE 25 1HG2 ILE 25 -10.278 -3.441 0.538 169 2HG2 ILE 25 2HG2 ILE 25 -9.316 -3.537 -0.937 170 3HG2 ILE 25 3HG2 ILE 25 -9.013 -2.250 0.230 171 1HD1 ILE 25 1HD1 ILE 25 -10.242 -3.517 2.375 172 2HD1 ILE 25 2HD1 ILE 25 -9.104 -4.091 3.594 173 3HD1 ILE 25 3HD1 ILE 25 -10.555 -5.026 3.233 174 H MET 26 H MET 26 -7.607 -4.665 -2.737 175 HA MET 26 HA MET 26 -5.318 -2.764 -2.879 176 1HB MET 26 2HB MET 26 -6.495 -4.886 -4.500 177 2HB MET 26 1HB MET 26 -6.196 -3.427 -5.445 178 1HG MET 26 2HG MET 26 -3.867 -3.379 -4.676 179 2HG MET 26 1HG MET 26 -4.153 -4.801 -3.674 180 1HE MET 26 1HE MET 26 -1.736 -5.386 -6.497 181 2HE MET 26 2HE MET 26 -2.182 -6.700 -5.412 182 3HE MET 26 3HE MET 26 -2.040 -5.061 -4.785 183 H LYS 27 H LYS 27 -5.616 -0.970 -4.561 184 HA LYS 27 HA LYS 27 -8.417 -0.038 -4.889 185 1HB LYS 27 2HB LYS 27 -6.317 1.094 -3.087 186 2HB LYS 27 1HB LYS 27 -7.368 2.232 -3.929 187 1HG LYS 27 2HG LYS 27 -9.230 0.482 -3.073 188 2HG LYS 27 1HG LYS 27 -8.031 0.267 -1.799 189 1HD LYS 27 2HD LYS 27 -8.658 3.067 -2.596 190 2HD LYS 27 1HD LYS 27 -9.897 2.198 -1.690 191 1HE LYS 27 2HE LYS 27 -8.639 2.145 0.232 192 2HE LYS 27 1HE LYS 27 -7.113 1.955 -0.657 193 1HZ LYS 27 1HZ LYS 27 -6.820 4.146 -0.701 194 2HZ LYS 27 2HZ LYS 27 -8.385 4.412 -1.306 195 H ARG 28 H ARG 28 -8.621 1.447 -6.628 196 HA ARG 28 HA ARG 28 -6.451 1.436 -8.584 197 1HB ARG 28 2HB ARG 28 -9.277 1.839 -8.447 198 2HB ARG 28 1HB ARG 28 -8.571 3.267 -9.204 199 1HG ARG 28 2HG ARG 28 -8.977 0.672 -10.349 200 2HG ARG 28 1HG ARG 28 -8.307 2.112 -11.116 201 1HD ARG 28 2HD ARG 28 -6.067 1.554 -10.220 202 2HD ARG 28 1HD ARG 28 -6.740 0.095 -9.466 203 HE ARG 28 HE ARG 28 -7.544 0.012 -12.158 204 1HH1 ARG 28 1HH1 ARG 28 -4.629 0.091 -10.319 205 1HH2 ARG 28 1HH2 ARG 28 -6.366 -1.164 -13.687 206 2HH2 ARG 28 2HH2 ARG 28 -4.697 -1.519 -13.389 207 H LYS 29 H LYS 29 -4.805 2.914 -8.558 208 HA LYS 29 HA LYS 29 -4.669 5.166 -6.810 209 1HB LYS 29 2HB LYS 29 -2.962 3.731 -8.322 210 2HB LYS 29 1HB LYS 29 -3.132 5.156 -9.346 211 1HG LYS 29 2HG LYS 29 -2.392 5.198 -6.406 212 2HG LYS 29 1HG LYS 29 -1.260 5.412 -7.742 213 1HD LYS 29 2HD LYS 29 -1.855 7.572 -8.021 214 2HD LYS 29 1HD LYS 29 -3.575 7.177 -7.973 215 1HE LYS 29 2HE LYS 29 -2.682 6.797 -5.333 216 2HE LYS 29 1HE LYS 29 -1.918 8.305 -5.872 217 1HZ LYS 29 1HZ LYS 29 -4.536 8.016 -5.132 218 2HZ LYS 29 2HZ LYS 29 -3.880 9.327 -5.991 219 H LYS 30 H LYS 30 -5.428 4.960 -10.297 220 HA LYS 30 HA LYS 30 -5.681 7.720 -10.858 221 1HB LYS 30 2HB LYS 30 -6.789 5.146 -11.904 222 2HB LYS 30 1HB LYS 30 -7.490 6.649 -12.506 223 1HG LYS 30 2HG LYS 30 -4.508 6.133 -12.462 224 2HG LYS 30 1HG LYS 30 -5.526 5.756 -13.853 225 1HD LYS 30 2HD LYS 30 -5.803 7.951 -14.411 226 2HD LYS 30 1HD LYS 30 -5.871 8.474 -12.728 227 1HE LYS 30 2HE LYS 30 -3.337 7.666 -14.203 228 2HE LYS 30 1HE LYS 30 -3.817 9.329 -13.811 229 1HZ LYS 30 1HZ LYS 30 -4.082 7.671 -11.538 230 2HZ LYS 30 2HZ LYS 30 -2.503 7.539 -12.150 231 H ASP 31 H ASP 31 -8.303 5.439 -9.963 232 HA ASP 31 HA ASP 31 -9.970 7.796 -9.172 233 1HB ASP 31 2HB ASP 31 -10.386 5.312 -10.594 234 2HB ASP 31 1HB ASP 31 -11.473 5.401 -9.207 235 H ASP 32 H ASP 32 -7.880 5.757 -7.728 236 HA ASP 32 HA ASP 32 -7.724 4.761 -5.575 237 1HB ASP 32 2HB ASP 32 -9.482 7.023 -4.686 238 2HB ASP 32 1HB ASP 32 -7.956 6.462 -4.002 239 H TRP 33 H TRP 33 -9.512 3.192 -6.706 240 HA TRP 33 HA TRP 33 -12.146 3.352 -5.378 241 1HB TRP 33 2HB TRP 33 -11.362 0.942 -6.899 242 2HB TRP 33 1HB TRP 33 -12.770 1.985 -7.099 243 HD1 TRP 33 HD TRP 33 -10.431 4.515 -7.224 244 HE1 TRP 33 1HE TRP 33 -9.504 4.988 -9.581 245 HE3 TRP 33 3HE TRP 33 -11.747 0.179 -9.578 246 HZ2 TRP 33 2HZ TRP 33 -9.340 3.700 -12.130 247 HZ3 TRP 33 3HZ TRP 33 -11.194 -0.172 -11.968 248 HH2 TRP 33 HH TRP 33 -9.993 1.582 -13.246 249 H VAL 34 H VAL 34 -12.941 1.508 -4.074 250 HA VAL 34 HA VAL 34 -10.722 0.106 -2.621 251 HB VAL 34 HB VAL 34 -13.416 0.483 -1.407 252 1HG1 VAL 34 1HG1 VAL 34 -11.014 1.380 0.012 253 2HG1 VAL 34 2HG1 VAL 34 -10.899 -0.288 -0.545 254 3HG1 VAL 34 3HG1 VAL 34 -12.232 0.203 0.502 255 1HG2 VAL 34 1HG2 VAL 34 -13.348 2.660 -2.253 256 2HG2 VAL 34 2HG2 VAL 34 -11.586 2.723 -2.224 257 3HG2 VAL 34 3HG2 VAL 34 -12.499 2.853 -0.720 258 H ASN 35 H ASN 35 -11.065 -2.127 -2.145 259 HA ASN 35 HA ASN 35 -12.584 -3.649 -4.037 260 1HB ASN 35 2HB ASN 35 -10.745 -4.732 -3.090 261 2HB ASN 35 1HB ASN 35 -11.105 -4.133 -1.470 262 1HD2 ASN 35 1HD2 ASN 35 -11.631 -6.764 -3.685 263 2HD2 ASN 35 2HD2 ASN 35 -12.663 -7.669 -2.687 264 H ALA 36 H ALA 36 -14.815 -3.151 -3.996 265 HA ALA 36 HA ALA 36 -16.505 -2.610 -1.858 266 1HB ALA 36 1HB ALA 36 -17.968 -4.309 -3.516 267 2HB ALA 36 2HB ALA 36 -16.672 -3.722 -4.560 268 3HB ALA 36 3HB ALA 36 -17.746 -2.576 -3.756 269 H THR 37 H THR 37 -15.066 -5.720 -2.707 270 HA THR 37 HA THR 37 -16.779 -7.438 -1.197 271 HB THR 37 HB THR 37 -13.788 -7.667 -1.659 272 HG1 THR 37 1HG THR 37 -15.518 -7.275 -3.465 273 1HG2 THR 37 1HG2 THR 37 -14.362 -10.112 -1.729 274 2HG2 THR 37 2HG2 THR 37 -16.000 -9.692 -1.232 275 3HG2 THR 37 3HG2 THR 37 -14.640 -9.365 -0.156 276 H HIS 38 H HIS 38 -13.774 -5.739 -0.295 277 HA HIS 38 HA HIS 38 -13.672 -6.639 2.428 278 1HB HIS 38 2HB HIS 38 -12.671 -4.186 0.952 279 2HB HIS 38 1HB HIS 38 -12.258 -4.514 2.636 280 HD1 HIS 38 1HD HIS 38 -11.244 -5.306 -0.777 281 HD2 HIS 38 2HD HIS 38 -10.898 -7.153 2.943 282 HE1 HIS 38 1HE HIS 38 -9.444 -7.071 -1.019 283 H ILE 39 H ILE 39 -15.502 -4.175 0.768 284 HA ILE 39 HA ILE 39 -16.465 -2.917 3.268 285 HB ILE 39 HB ILE 39 -16.551 -2.460 0.318 286 1HG1 ILE 39 2HG1 ILE 39 -16.447 -0.036 1.592 287 2HG1 ILE 39 1HG1 ILE 39 -15.702 -1.094 2.793 288 1HG2 ILE 39 1HG2 ILE 39 -18.469 -1.118 0.318 289 2HG2 ILE 39 2HG2 ILE 39 -18.482 -0.968 2.075 290 3HG2 ILE 39 3HG2 ILE 39 -18.965 -2.485 1.316 291 1HD1 ILE 39 1HD1 ILE 39 -13.827 -0.671 1.539 292 2HD1 ILE 39 2HD1 ILE 39 -14.753 -0.353 0.071 293 3HD1 ILE 39 3HD1 ILE 39 -14.460 -2.014 0.588 294 H LEU 40 H LEU 40 -17.784 -4.723 0.483 295 HA LEU 40 HA LEU 40 -20.372 -5.113 1.871 296 1HB LEU 40 2HB LEU 40 -19.406 -4.920 -0.791 297 2HB LEU 40 1HB LEU 40 -20.040 -6.555 -0.609 298 HG LEU 40 HG LEU 40 -21.909 -5.245 -1.275 299 1HD1 LEU 40 1HD1 LEU 40 -21.905 -5.481 1.750 300 2HD1 LEU 40 2HD1 LEU 40 -22.424 -6.719 0.606 301 3HD1 LEU 40 3HD1 LEU 40 -23.345 -5.223 0.765 302 1HD2 LEU 40 1HD2 LEU 40 -21.282 -3.268 0.931 303 2HD2 LEU 40 2HD2 LEU 40 -22.437 -3.083 -0.387 304 3HD2 LEU 40 3HD2 LEU 40 -20.707 -3.058 -0.723 305 H LYS 41 H LYS 41 -17.788 -7.153 0.446 306 HA LYS 41 HA LYS 41 -18.822 -9.648 1.442 307 1HB LYS 41 2HB LYS 41 -17.202 -9.300 -0.440 308 2HB LYS 41 1HB LYS 41 -15.982 -8.828 0.744 309 1HG LYS 41 2HG LYS 41 -16.669 -11.141 1.860 310 2HG LYS 41 1HG LYS 41 -17.162 -11.525 0.210 311 1HD LYS 41 2HD LYS 41 -14.943 -11.056 -0.631 312 2HD LYS 41 1HD LYS 41 -14.428 -10.442 0.940 313 1HE LYS 41 2HE LYS 41 -13.751 -12.547 1.446 314 2HE LYS 41 1HE LYS 41 -15.458 -13.035 1.426 315 1HZ LYS 41 1HZ LYS 41 -14.567 -14.330 -0.249 316 2HZ LYS 41 2HZ LYS 41 -13.481 -13.128 -0.759 317 H ALA 42 H ALA 42 -16.886 -7.111 2.850 318 HA ALA 42 HA ALA 42 -15.674 -8.584 5.001 319 1HB ALA 42 1HB ALA 42 -15.634 -6.217 6.008 320 2HB ALA 42 2HB ALA 42 -16.489 -5.701 4.555 321 3HB ALA 42 3HB ALA 42 -14.875 -6.401 4.426 322 H ALA 43 H ALA 43 -18.899 -7.417 4.436 323 HA ALA 43 HA ALA 43 -19.684 -8.319 7.188 324 1HB ALA 43 1HB ALA 43 -19.664 -5.854 6.933 325 2HB ALA 43 2HB ALA 43 -21.306 -6.455 7.163 326 3HB ALA 43 3HB ALA 43 -20.752 -5.995 5.553 327 H ASN 44 H ASN 44 -19.988 -8.878 3.896 328 HA ASN 44 HA ASN 44 -22.694 -10.122 4.282 329 1HB ASN 44 2HB ASN 44 -23.391 -9.091 2.374 330 2HB ASN 44 1HB ASN 44 -22.022 -8.012 2.651 331 1HD2 ASN 44 1HD2 ASN 44 -19.923 -8.649 1.550 332 2HD2 ASN 44 2HD2 ASN 44 -20.001 -9.508 0.088 333 H PHE 45 H PHE 45 -19.582 -10.952 4.162 334 HA PHE 45 HA PHE 45 -18.352 -12.778 3.256 335 1HB PHE 45 2HB PHE 45 -20.918 -13.510 4.411 336 2HB PHE 45 1HB PHE 45 -20.414 -14.690 3.201 337 HD1 PHE 45 1HD PHE 45 -20.576 -15.099 6.265 338 HD2 PHE 45 2HD PHE 45 -17.366 -14.000 3.629 339 HE1 PHE 45 1HE PHE 45 -18.936 -16.046 7.866 340 HE2 PHE 45 2HE PHE 45 -15.727 -14.948 5.231 341 HZ PHE 45 HZ PHE 45 -16.511 -15.971 7.350 342 H ALA 46 H ALA 46 -18.049 -14.101 1.334 343 HA ALA 46 HA ALA 46 -19.370 -13.008 -1.044 344 1HB ALA 46 1HB ALA 46 -16.995 -14.535 -0.299 345 2HB ALA 46 2HB ALA 46 -17.255 -13.494 -1.699 346 3HB ALA 46 3HB ALA 46 -17.757 -15.184 -1.750 347 H LYS 47 H LYS 47 -21.530 -13.732 -0.894 348 HA LYS 47 HA LYS 47 -21.928 -16.608 -1.576 349 1HB LYS 47 2HB LYS 47 -23.307 -14.992 0.596 350 2HB LYS 47 1HB LYS 47 -23.863 -16.576 0.052 351 1HG LYS 47 2HG LYS 47 -21.433 -17.355 0.548 352 2HG LYS 47 1HG LYS 47 -21.315 -15.873 1.498 353 1HD LYS 47 2HD LYS 47 -22.686 -18.363 2.134 354 2HD LYS 47 1HD LYS 47 -22.279 -17.012 3.191 355 1HE LYS 47 2HE LYS 47 -24.677 -17.117 3.183 356 2HE LYS 47 1HE LYS 47 -24.268 -15.780 2.088 357 1HZ LYS 47 1HZ LYS 47 -24.976 -18.569 1.381 358 2HZ LYS 47 2HZ LYS 47 -25.734 -17.135 0.875 359 H ALA 48 H ALA 48 -24.706 -16.543 -1.828 360 HA ALA 48 HA ALA 48 -25.166 -15.269 -4.301 361 1HB ALA 48 1HB ALA 48 -27.367 -15.472 -2.271 362 2HB ALA 48 2HB ALA 48 -26.537 -16.956 -2.740 363 3HB ALA 48 3HB ALA 48 -27.360 -15.983 -3.959 364 H LYS 49 H LYS 49 -25.106 -14.008 -1.066 365 HA LYS 49 HA LYS 49 -26.518 -11.528 -1.533 366 1HB LYS 49 2HB LYS 49 -25.075 -12.920 0.546 367 2HB LYS 49 1HB LYS 49 -24.538 -11.241 0.482 368 1HG LYS 49 2HG LYS 49 -27.475 -11.800 0.335 369 2HG LYS 49 1HG LYS 49 -26.675 -11.920 1.901 370 1HD LYS 49 2HD LYS 49 -26.983 -9.679 2.031 371 2HD LYS 49 1HD LYS 49 -25.641 -9.570 0.891 372 1HE LYS 49 2HE LYS 49 -27.018 -8.765 -0.717 373 2HE LYS 49 1HE LYS 49 -28.115 -10.146 -0.518 374 1HZ LYS 49 1HZ LYS 49 -29.042 -7.886 0.104 375 2HZ LYS 49 2HZ LYS 49 -29.200 -9.111 1.270 376 H ARG 50 H ARG 50 -23.018 -12.347 -1.364 377 HA ARG 50 HA ARG 50 -22.052 -9.773 -2.148 378 1HB ARG 50 2HB ARG 50 -20.792 -11.662 -1.072 379 2HB ARG 50 1HB ARG 50 -20.846 -12.518 -2.613 380 1HG ARG 50 2HG ARG 50 -19.924 -9.854 -3.103 381 2HG ARG 50 1HG ARG 50 -18.977 -10.533 -1.778 382 1HD ARG 50 2HD ARG 50 -17.765 -11.379 -3.570 383 2HD ARG 50 1HD ARG 50 -18.974 -12.670 -3.426 384 HE ARG 50 HE ARG 50 -20.010 -10.522 -5.039 385 1HH1 ARG 50 1HH1 ARG 50 -17.787 -13.158 -5.007 386 1HH2 ARG 50 1HH2 ARG 50 -20.145 -10.865 -7.270 387 2HH2 ARG 50 2HH2 ARG 50 -19.216 -12.134 -7.995 388 H THR 51 H THR 51 -23.339 -12.470 -3.997 389 HA THR 51 HA THR 51 -22.255 -11.749 -6.564 390 HB THR 51 HB THR 51 -24.632 -13.325 -5.561 391 HG1 THR 51 1HG THR 51 -22.975 -14.611 -5.383 392 1HG2 THR 51 1HG2 THR 51 -24.317 -12.187 -8.169 393 2HG2 THR 51 2HG2 THR 51 -25.580 -13.278 -7.596 394 3HG2 THR 51 3HG2 THR 51 -24.097 -13.932 -8.290 395 H ARG 52 H ARG 52 -25.109 -10.745 -4.737 396 HA ARG 52 HA ARG 52 -26.065 -9.071 -7.001 397 1HB ARG 52 2HB ARG 52 -27.472 -10.556 -5.402 398 2HB ARG 52 1HB ARG 52 -27.212 -9.279 -4.212 399 1HG ARG 52 2HG ARG 52 -27.989 -7.746 -6.267 400 2HG ARG 52 1HG ARG 52 -28.822 -9.232 -6.723 401 1HD ARG 52 2HD ARG 52 -29.044 -7.893 -4.001 402 2HD ARG 52 1HD ARG 52 -30.265 -7.806 -5.286 403 HE ARG 52 HE ARG 52 -29.820 -10.515 -5.040 404 1HH1 ARG 52 1HH1 ARG 52 -30.548 -7.945 -2.861 405 1HH2 ARG 52 1HH2 ARG 52 -30.948 -11.847 -3.604 406 2HH2 ARG 52 2HH2 ARG 52 -31.641 -11.164 -2.172 407 H ILE 53 H ILE 53 -25.572 -8.530 -3.505 408 HA ILE 53 HA ILE 53 -25.457 -5.755 -3.440 409 HB ILE 53 HB ILE 53 -23.519 -7.557 -1.966 410 1HG1 ILE 53 2HG1 ILE 53 -25.664 -8.687 -1.915 411 2HG1 ILE 53 1HG1 ILE 53 -25.425 -7.902 -0.352 412 1HG2 ILE 53 1HG2 ILE 53 -23.168 -5.684 -0.770 413 2HG2 ILE 53 2HG2 ILE 53 -24.872 -5.679 -0.314 414 3HG2 ILE 53 3HG2 ILE 53 -24.343 -4.812 -1.755 415 1HD1 ILE 53 1HD1 ILE 53 -27.440 -7.367 -2.424 416 2HD1 ILE 53 2HD1 ILE 53 -26.641 -5.914 -1.824 417 3HD1 ILE 53 3HD1 ILE 53 -27.472 -6.991 -0.702 418 H LEU 54 H LEU 54 -22.670 -7.938 -4.065 419 HA LEU 54 HA LEU 54 -20.800 -5.802 -4.606 420 1HB LEU 54 2HB LEU 54 -20.751 -8.531 -4.213 421 2HB LEU 54 1HB LEU 54 -20.400 -8.405 -5.937 422 HG LEU 54 HG LEU 54 -18.388 -8.319 -4.340 423 1HD1 LEU 54 1HD1 LEU 54 -17.222 -6.980 -5.855 424 2HD1 LEU 54 2HD1 LEU 54 -18.551 -5.833 -6.017 425 3HD1 LEU 54 3HD1 LEU 54 -18.649 -7.410 -6.798 426 1HD2 LEU 54 1HD2 LEU 54 -18.152 -5.703 -3.728 427 2HD2 LEU 54 2HD2 LEU 54 -18.845 -6.876 -2.609 428 3HD2 LEU 54 3HD2 LEU 54 -19.902 -5.865 -3.593 429 H GLU 55 H GLU 55 -22.378 -8.115 -6.819 430 HA GLU 55 HA GLU 55 -21.645 -6.805 -9.247 431 1HB GLU 55 2HB GLU 55 -23.528 -8.873 -8.294 432 2HB GLU 55 1HB GLU 55 -23.961 -8.119 -9.825 433 1HG GLU 55 2HG GLU 55 -21.224 -8.560 -10.064 434 2HG GLU 55 1HG GLU 55 -21.808 -10.004 -9.236 435 H LYS 56 H LYS 56 -24.775 -6.721 -7.486 436 HA LYS 56 HA LYS 56 -25.857 -4.624 -9.193 437 1HB LYS 56 2HB LYS 56 -26.608 -6.079 -6.673 438 2HB LYS 56 1HB LYS 56 -27.510 -4.632 -7.124 439 1HG LYS 56 2HG LYS 56 -27.127 -7.122 -8.811 440 2HG LYS 56 1HG LYS 56 -28.631 -6.568 -8.074 441 1HD LYS 56 2HD LYS 56 -28.731 -4.648 -9.499 442 2HD LYS 56 1HD LYS 56 -27.077 -4.896 -10.060 443 1HE LYS 56 2HE LYS 56 -28.196 -7.301 -10.727 444 2HE LYS 56 1HE LYS 56 -29.574 -6.206 -10.957 445 1HZ LYS 56 1HZ LYS 56 -27.902 -6.439 -12.870 446 2HZ LYS 56 2HZ LYS 56 -28.383 -4.874 -12.418 447 H GLU 57 H GLU 57 -24.808 -4.686 -5.764 448 HA GLU 57 HA GLU 57 -25.054 -1.914 -5.240 449 1HB GLU 57 2HB GLU 57 -24.373 -4.101 -3.838 450 2HB GLU 57 1HB GLU 57 -22.753 -3.461 -4.122 451 1HG GLU 57 2HG GLU 57 -25.071 -2.097 -2.737 452 2HG GLU 57 1HG GLU 57 -23.484 -2.480 -2.069 453 H VAL 58 H VAL 58 -22.257 -3.755 -6.502 454 HA VAL 58 HA VAL 58 -20.740 -1.266 -6.960 455 HB VAL 58 HB VAL 58 -19.808 -3.877 -7.999 456 1HG1 VAL 58 1HG1 VAL 58 -18.493 -2.104 -5.950 457 2HG1 VAL 58 2HG1 VAL 58 -18.529 -1.636 -7.649 458 3HG1 VAL 58 3HG1 VAL 58 -17.737 -3.136 -7.164 459 1HG2 VAL 58 1HG2 VAL 58 -21.224 -4.268 -5.832 460 2HG2 VAL 58 2HG2 VAL 58 -19.867 -3.495 -5.014 461 3HG2 VAL 58 3HG2 VAL 58 -19.612 -4.978 -5.933 462 H LEU 59 H LEU 59 -22.043 -3.955 -8.963 463 HA LEU 59 HA LEU 59 -21.335 -3.325 -11.514 464 1HB LEU 59 2HB LEU 59 -22.956 -5.037 -11.120 465 2HB LEU 59 1HB LEU 59 -24.077 -3.900 -10.369 466 HG LEU 59 HG LEU 59 -24.484 -4.637 -12.852 467 1HD1 LEU 59 1HD1 LEU 59 -24.816 -2.088 -11.437 468 2HD1 LEU 59 2HD1 LEU 59 -25.984 -3.001 -12.392 469 3HD1 LEU 59 3HD1 LEU 59 -24.850 -1.914 -13.192 470 1HD2 LEU 59 1HD2 LEU 59 -23.052 -3.872 -14.439 471 2HD2 LEU 59 2HD2 LEU 59 -21.919 -3.628 -13.110 472 3HD2 LEU 59 3HD2 LEU 59 -22.919 -2.289 -13.672 473 H LYS 60 H LYS 60 -23.846 -1.561 -9.683 474 HA LYS 60 HA LYS 60 -24.276 0.438 -11.747 475 1HB LYS 60 2HB LYS 60 -25.058 -0.115 -8.927 476 2HB LYS 60 1HB LYS 60 -25.168 1.567 -9.448 477 1HG LYS 60 2HG LYS 60 -26.318 -0.651 -11.134 478 2HG LYS 60 1HG LYS 60 -27.243 0.049 -9.806 479 1HD LYS 60 2HD LYS 60 -27.908 1.439 -11.538 480 2HD LYS 60 1HD LYS 60 -26.508 2.333 -10.943 481 1HE LYS 60 2HE LYS 60 -25.409 2.038 -12.904 482 2HE LYS 60 1HE LYS 60 -25.720 0.291 -12.875 483 1HZ LYS 60 1HZ LYS 60 -27.666 0.513 -13.996 484 2HZ LYS 60 2HZ LYS 60 -26.879 1.879 -14.631 485 H GLU 61 H GLU 61 -21.802 -0.154 -9.513 486 HA GLU 61 HA GLU 61 -20.887 2.703 -9.563 487 1HB GLU 61 2HB GLU 61 -20.844 0.466 -7.622 488 2HB GLU 61 1HB GLU 61 -19.356 1.411 -7.698 489 1HG GLU 61 2HG GLU 61 -21.865 2.114 -6.476 490 2HG GLU 61 1HG GLU 61 -20.344 3.006 -6.457 491 H THR 62 H THR 62 -18.191 2.246 -9.004 492 HA THR 62 HA THR 62 -17.206 1.360 -11.618 493 HB THR 62 HB THR 62 -15.573 2.111 -9.192 494 HG1 THR 62 1HG THR 62 -16.941 3.760 -9.196 495 1HG2 THR 62 1HG2 THR 62 -13.977 1.943 -10.779 496 2HG2 THR 62 2HG2 THR 62 -14.654 3.418 -11.466 497 3HG2 THR 62 3HG2 THR 62 -15.172 1.845 -12.073 498 H HIS 63 H HIS 63 -18.398 -0.817 -10.209 499 HA HIS 63 HA HIS 63 -16.567 -2.409 -8.697 500 1HB HIS 63 2HB HIS 63 -18.318 -3.890 -8.765 501 2HB HIS 63 1HB HIS 63 -19.184 -2.518 -9.461 502 HD1 HIS 63 1HD HIS 63 -18.868 -2.369 -12.230 503 HD2 HIS 63 2HD HIS 63 -18.353 -6.092 -10.426 504 HE1 HIS 63 1HE HIS 63 -19.106 -4.096 -14.068 505 H GLU 64 H GLU 64 -14.608 -3.145 -9.448 506 HA GLU 64 HA GLU 64 -14.475 -4.138 -12.274 507 1HB GLU 64 2HB GLU 64 -12.981 -2.015 -10.852 508 2HB GLU 64 1HB GLU 64 -11.987 -3.113 -11.810 509 1HG GLU 64 2HG GLU 64 -13.947 -1.090 -12.699 510 2HG GLU 64 1HG GLU 64 -12.543 -1.746 -13.543 511 H LYS 65 H LYS 65 -13.135 -5.955 -12.563 512 HA LYS 65 HA LYS 65 -12.224 -7.294 -10.052 513 1HB LYS 65 2HB LYS 65 -12.537 -9.310 -11.273 514 2HB LYS 65 1HB LYS 65 -13.867 -8.277 -11.800 515 1HG LYS 65 2HG LYS 65 -11.239 -8.689 -13.258 516 2HG LYS 65 1HG LYS 65 -12.813 -9.319 -13.748 517 1HD LYS 65 2HD LYS 65 -13.662 -6.988 -13.930 518 2HD LYS 65 1HD LYS 65 -12.053 -6.392 -13.521 519 1HE LYS 65 2HE LYS 65 -11.348 -6.663 -15.657 520 2HE LYS 65 1HE LYS 65 -11.918 -8.345 -15.679 521 1HZ LYS 65 1HZ LYS 65 -13.227 -5.968 -16.632 522 2HZ LYS 65 2HZ LYS 65 -13.539 -7.595 -17.003 523 H VAL 66 H VAL 66 -10.046 -7.922 -9.833 524 HA VAL 66 HA VAL 66 -8.125 -6.575 -11.631 525 HB VAL 66 HB VAL 66 -7.672 -6.329 -9.329 526 1HG1 VAL 66 1HG1 VAL 66 -7.712 -8.248 -7.750 527 2HG1 VAL 66 2HG1 VAL 66 -8.208 -9.305 -9.072 528 3HG1 VAL 66 3HG1 VAL 66 -9.275 -8.009 -8.532 529 1HG2 VAL 66 1HG2 VAL 66 -5.918 -7.854 -10.930 530 2HG2 VAL 66 2HG2 VAL 66 -5.916 -8.632 -9.347 531 3HG2 VAL 66 3HG2 VAL 66 -5.502 -6.925 -9.490 532 H GLN 67 H GLN 67 -6.872 -7.651 -13.127 533 HA GLN 67 HA GLN 67 -6.700 -10.628 -12.998 534 1HB GLN 67 2HB GLN 67 -8.228 -8.966 -14.845 535 2HB GLN 67 1HB GLN 67 -7.069 -9.985 -15.700 536 1HG GLN 67 2HG GLN 67 -9.386 -11.004 -15.232 537 2HG GLN 67 1HG GLN 67 -7.983 -11.977 -14.788 538 1HE2 GLN 67 1HE2 GLN 67 -9.625 -9.217 -13.131 539 2HE2 GLN 67 2HE2 GLN 67 -9.849 -10.043 -11.666 540 H GLY 68 H GLY 68 -4.656 -11.331 -13.569 541 1HA GLY 68 2HA GLY 68 -2.594 -11.273 -14.804 542 2HA GLY 68 1HA GLY 68 -2.945 -9.606 -15.261 543 H GLY 69 H GLY 69 -3.621 -9.818 -12.036 544 1HA GLY 69 2HA GLY 69 -2.152 -9.680 -10.097 545 2HA GLY 69 1HA GLY 69 -0.813 -9.305 -11.185 546 H PHE 70 H PHE 70 -3.570 -7.633 -12.138 547 HA PHE 70 HA PHE 70 -2.511 -5.129 -10.898 548 1HB PHE 70 2HB PHE 70 -4.576 -5.307 -13.080 549 2HB PHE 70 1HB PHE 70 -3.348 -4.069 -12.818 550 HD1 PHE 70 1HD PHE 70 -0.975 -5.860 -12.326 551 HD2 PHE 70 2HD PHE 70 -4.067 -6.007 -15.303 552 HE1 PHE 70 1HE PHE 70 0.561 -7.057 -13.861 553 HE2 PHE 70 2HE PHE 70 -2.531 -7.204 -16.839 554 HZ PHE 70 HZ PHE 70 -0.217 -7.729 -16.118 555 H GLY 71 H GLY 71 -3.612 -5.551 -8.812 556 1HA GLY 71 2HA GLY 71 -5.420 -4.717 -7.465 557 2HA GLY 71 1HA GLY 71 -6.439 -4.676 -8.904 558 H LYS 72 H LYS 72 -4.530 -7.517 -8.273 559 HA LYS 72 HA LYS 72 -6.880 -9.214 -8.238 560 1HB LYS 72 2HB LYS 72 -4.923 -10.153 -9.147 561 2HB LYS 72 1HB LYS 72 -3.908 -9.517 -7.852 562 1HG LYS 72 2HG LYS 72 -6.062 -11.557 -7.297 563 2HG LYS 72 1HG LYS 72 -4.444 -12.045 -7.803 564 1HD LYS 72 2HD LYS 72 -4.104 -10.094 -5.771 565 2HD LYS 72 1HD LYS 72 -5.332 -11.220 -5.192 566 1HE LYS 72 2HE LYS 72 -3.745 -13.104 -5.924 567 2HE LYS 72 1HE LYS 72 -2.501 -11.845 -6.062 568 1HZ LYS 72 1HZ LYS 72 -3.814 -12.892 -3.693 569 2HZ LYS 72 2HZ LYS 72 -2.267 -12.214 -3.864 570 H TYR 73 H TYR 73 -5.623 -7.213 -5.923 571 HA TYR 73 HA TYR 73 -6.206 -9.002 -3.619 572 1HB TYR 73 2HB TYR 73 -5.146 -6.160 -3.839 573 2HB TYR 73 1HB TYR 73 -5.235 -7.098 -2.348 574 HD1 TYR 73 1HD TYR 73 -2.681 -5.941 -3.573 575 HD2 TYR 73 2HD TYR 73 -4.590 -9.769 -3.966 576 HE1 TYR 73 1HE TYR 73 -0.491 -6.980 -4.092 577 HE2 TYR 73 2HE TYR 73 -2.399 -10.808 -4.486 578 HH TYR 73 HH TYR 73 0.280 -9.095 -5.381 579 H GLN 74 H GLN 74 -7.488 -6.308 -5.456 580 HA GLN 74 HA GLN 74 -9.584 -5.753 -3.425 581 1HB GLN 74 2HB GLN 74 -9.453 -3.698 -4.354 582 2HB GLN 74 1HB GLN 74 -8.151 -4.306 -5.378 583 1HG GLN 74 2HG GLN 74 -10.915 -4.997 -6.223 584 2HG GLN 74 1HG GLN 74 -10.450 -3.302 -6.382 585 1HE2 GLN 74 1HE2 GLN 74 -10.517 -6.092 -8.148 586 2HE2 GLN 74 2HE2 GLN 74 -9.191 -5.821 -9.173 587 H GLY 75 H GLY 75 -9.345 -6.782 -6.852 588 1HA GLY 75 2HA GLY 75 -10.793 -8.172 -8.087 589 2HA GLY 75 1HA GLY 75 -11.624 -8.556 -6.577 590 H THR 76 H THR 76 -12.856 -6.529 -5.671 591 HA THR 76 HA THR 76 -14.260 -5.158 -7.941 592 HB THR 76 HB THR 76 -15.781 -5.696 -5.473 593 HG1 THR 76 1HG THR 76 -15.041 -7.663 -5.342 594 1HG2 THR 76 1HG2 THR 76 -16.145 -5.892 -8.444 595 2HG2 THR 76 2HG2 THR 76 -17.084 -4.978 -7.264 596 3HG2 THR 76 3HG2 THR 76 -17.275 -6.728 -7.378 597 H TRP 77 H TRP 77 -12.387 -3.587 -7.136 598 HA TRP 77 HA TRP 77 -12.812 -2.224 -4.603 599 1HB TRP 77 2HB TRP 77 -11.186 -0.589 -5.879 600 2HB TRP 77 1HB TRP 77 -10.614 -2.187 -5.402 601 HD1 TRP 77 HD TRP 77 -13.021 -2.590 -8.123 602 HE1 TRP 77 1HE TRP 77 -11.823 -2.945 -10.379 603 HE3 TRP 77 3HE TRP 77 -8.277 -1.215 -6.828 604 HZ2 TRP 77 2HZ TRP 77 -9.199 -2.681 -11.487 605 HZ3 TRP 77 3HZ TRP 77 -6.449 -1.277 -8.501 606 HH2 TRP 77 HH TRP 77 -6.904 -2.007 -10.827 607 H VAL 78 H VAL 78 -13.376 0.088 -4.458 608 HA VAL 78 HA VAL 78 -15.033 1.143 -6.706 609 HB VAL 78 HB VAL 78 -16.346 1.729 -4.255 610 1HG1 VAL 78 1HG1 VAL 78 -18.162 0.470 -5.262 611 2HG1 VAL 78 2HG1 VAL 78 -17.040 -0.372 -6.330 612 3HG1 VAL 78 3HG1 VAL 78 -17.328 1.355 -6.538 613 1HG2 VAL 78 1HG2 VAL 78 -15.397 -0.012 -3.020 614 2HG2 VAL 78 2HG2 VAL 78 -15.213 -1.050 -4.435 615 3HG2 VAL 78 3HG2 VAL 78 -16.806 -0.812 -3.716 616 HA PRO 79 HA PRO 79 -13.336 5.081 -5.827 617 1HB PRO 79 2HB PRO 79 -16.037 6.193 -5.290 618 2HB PRO 79 1HB PRO 79 -14.844 6.678 -6.510 619 1HG PRO 79 2HG PRO 79 -17.079 5.319 -7.133 620 2HG PRO 79 1HG PRO 79 -15.562 5.134 -8.025 621 1HD PRO 79 2HD PRO 79 -16.854 3.286 -6.105 622 2HD PRO 79 1HD PRO 79 -15.780 2.933 -7.475 623 H LEU 80 H LEU 80 -12.282 5.128 -3.842 624 HA LEU 80 HA LEU 80 -13.297 4.456 -1.319 625 1HB LEU 80 2HB LEU 80 -11.305 5.474 -0.520 626 2HB LEU 80 1HB LEU 80 -10.916 5.001 -2.175 627 HG LEU 80 HG LEU 80 -11.690 7.757 -1.187 628 1HD1 LEU 80 1HD1 LEU 80 -9.256 6.680 -1.159 629 2HD1 LEU 80 2HD1 LEU 80 -9.500 8.361 -1.635 630 3HD1 LEU 80 3HD1 LEU 80 -9.298 7.116 -2.868 631 1HD2 LEU 80 1HD2 LEU 80 -12.361 6.592 -3.656 632 2HD2 LEU 80 2HD2 LEU 80 -10.939 7.579 -3.988 633 3HD2 LEU 80 3HD2 LEU 80 -12.371 8.313 -3.267 634 H ASN 81 H ASN 81 -13.563 7.530 -3.067 635 HA ASN 81 HA ASN 81 -14.424 9.206 -0.932 636 1HB ASN 81 2HB ASN 81 -14.072 9.294 -3.719 637 2HB ASN 81 1HB ASN 81 -15.771 9.695 -3.467 638 1HD2 ASN 81 1HD2 ASN 81 -13.579 11.554 -4.284 639 2HD2 ASN 81 2HD2 ASN 81 -13.524 12.758 -3.088 640 H ILE 82 H ILE 82 -16.062 6.697 -2.725 641 HA ILE 82 HA ILE 82 -18.628 7.360 -1.320 642 HB ILE 82 HB ILE 82 -19.339 5.663 -3.297 643 1HG1 ILE 82 2HG1 ILE 82 -16.658 5.886 -3.795 644 2HG1 ILE 82 1HG1 ILE 82 -17.862 5.519 -5.032 645 1HG2 ILE 82 1HG2 ILE 82 -19.822 7.670 -4.665 646 2HG2 ILE 82 2HG2 ILE 82 -18.730 8.615 -3.652 647 3HG2 ILE 82 3HG2 ILE 82 -20.209 7.942 -2.966 648 1HD1 ILE 82 1HD1 ILE 82 -18.053 8.220 -4.992 649 2HD1 ILE 82 2HD1 ILE 82 -16.953 7.349 -6.060 650 3HD1 ILE 82 3HD1 ILE 82 -16.357 8.030 -4.546 651 H ALA 83 H ALA 83 -16.197 4.917 -1.994 652 HA ALA 83 HA ALA 83 -17.587 2.620 -0.984 653 1HB ALA 83 1HB ALA 83 -15.657 1.721 -1.744 654 2HB ALA 83 2HB ALA 83 -14.747 2.555 -0.484 655 3HB ALA 83 3HB ALA 83 -15.047 3.352 -2.029 656 H LYS 84 H LYS 84 -15.044 4.612 0.635 657 HA LYS 84 HA LYS 84 -15.310 3.477 3.204 658 1HB LYS 84 2HB LYS 84 -13.699 5.022 3.595 659 2HB LYS 84 1HB LYS 84 -13.905 5.521 1.916 660 1HG LYS 84 2HG LYS 84 -15.979 6.847 3.013 661 2HG LYS 84 1HG LYS 84 -14.898 6.807 4.407 662 1HD LYS 84 2HD LYS 84 -13.300 7.452 2.151 663 2HD LYS 84 1HD LYS 84 -14.738 8.471 2.066 664 1HE LYS 84 2HE LYS 84 -13.048 8.156 4.573 665 2HE LYS 84 1HE LYS 84 -12.889 9.503 3.427 666 1HZ LYS 84 1HZ LYS 84 -15.019 8.926 5.308 667 2HZ LYS 84 2HZ LYS 84 -15.541 9.388 3.759 668 H GLN 85 H GLN 85 -17.190 6.068 1.654 669 HA GLN 85 HA GLN 85 -18.617 6.869 4.029 670 1HB GLN 85 2HB GLN 85 -18.393 8.252 2.011 671 2HB GLN 85 1HB GLN 85 -19.273 7.046 1.073 672 1HG GLN 85 2HG GLN 85 -21.226 7.365 2.633 673 2HG GLN 85 1HG GLN 85 -20.349 8.710 3.363 674 1HE2 GLN 85 1HE2 GLN 85 -19.160 9.375 0.612 675 2HE2 GLN 85 2HE2 GLN 85 -20.415 10.176 -0.202 676 H LEU 86 H LEU 86 -19.011 4.289 1.700 677 HA LEU 86 HA LEU 86 -21.744 3.633 2.604 678 1HB LEU 86 2HB LEU 86 -21.062 3.372 0.259 679 2HB LEU 86 1HB LEU 86 -19.763 2.287 0.749 680 HG LEU 86 HG LEU 86 -21.391 0.680 1.622 681 1HD1 LEU 86 1HD1 LEU 86 -23.851 1.495 0.650 682 2HD1 LEU 86 2HD1 LEU 86 -23.169 2.989 1.292 683 3HD1 LEU 86 3HD1 LEU 86 -23.343 1.578 2.337 684 1HD2 LEU 86 1HD2 LEU 86 -21.956 -0.188 -0.443 685 2HD2 LEU 86 2HD2 LEU 86 -20.812 1.047 -0.970 686 3HD2 LEU 86 3HD2 LEU 86 -22.546 1.361 -1.049 687 H ALA 87 H ALA 87 -18.453 2.303 2.851 688 HA ALA 87 HA ALA 87 -19.365 0.146 4.648 689 1HB ALA 87 1HB ALA 87 -16.538 0.336 4.518 690 2HB ALA 87 2HB ALA 87 -17.141 0.758 2.915 691 3HB ALA 87 3HB ALA 87 -17.574 -0.790 3.640 692 H GLU 88 H GLU 88 -16.837 2.706 4.900 693 HA GLU 88 HA GLU 88 -16.100 2.670 7.479 694 1HB GLU 88 2HB GLU 88 -15.426 4.779 7.009 695 2HB GLU 88 1HB GLU 88 -16.144 4.491 5.432 696 1HG GLU 88 2HG GLU 88 -18.122 5.635 5.973 697 2HG GLU 88 1HG GLU 88 -17.842 5.482 7.709 698 H LYS 89 H LYS 89 -19.383 3.280 6.415 699 HA LYS 89 HA LYS 89 -20.355 4.483 8.855 700 1HB LYS 89 2HB LYS 89 -21.281 4.141 6.342 701 2HB LYS 89 1HB LYS 89 -22.097 2.788 7.125 702 1HG LYS 89 2HG LYS 89 -22.294 5.726 7.805 703 2HG LYS 89 1HG LYS 89 -23.594 4.626 7.346 704 1HD LYS 89 2HD LYS 89 -23.115 3.312 9.446 705 2HD LYS 89 1HD LYS 89 -22.005 4.596 9.924 706 1HE LYS 89 2HE LYS 89 -23.705 6.029 10.465 707 2HE LYS 89 1HE LYS 89 -24.698 5.517 9.086 708 1HZ LYS 89 1HZ LYS 89 -24.820 4.608 11.749 709 2HZ LYS 89 2HZ LYS 89 -24.362 3.311 10.754 710 H PHE 90 H PHE 90 -22.027 1.630 7.917 711 HA PHE 90 HA PHE 90 -21.254 0.319 10.503 712 1HB PHE 90 2HB PHE 90 -23.531 0.631 10.665 713 2HB PHE 90 1HB PHE 90 -23.751 0.661 8.915 714 HD1 PHE 90 1HD PHE 90 -24.716 -1.192 7.875 715 HD2 PHE 90 2HD PHE 90 -22.731 -1.699 11.650 716 HE1 PHE 90 1HE PHE 90 -25.408 -3.572 7.918 717 HE2 PHE 90 2HE PHE 90 -23.424 -4.079 11.694 718 HZ PHE 90 HZ PHE 90 -24.761 -5.016 9.828 719 H SER 91 H SER 91 -20.611 0.143 7.263 720 HA SER 91 HA SER 91 -20.978 -2.600 6.596 721 1HB SER 91 2HB SER 91 -18.893 -0.591 5.702 722 2HB SER 91 1HB SER 91 -19.329 -2.062 4.837 723 HG SER 91 HG SER 91 -21.589 -0.945 5.228 724 H VAL 92 H VAL 92 -17.654 -1.612 6.480 725 HA VAL 92 HA VAL 92 -16.953 -3.685 8.529 726 HB VAL 92 HB VAL 92 -16.610 -4.163 6.021 727 1HG1 VAL 92 1HG1 VAL 92 -15.562 -1.649 5.983 728 2HG1 VAL 92 2HG1 VAL 92 -15.174 -2.886 4.788 729 3HG1 VAL 92 3HG1 VAL 92 -14.092 -2.608 6.152 730 1HG2 VAL 92 1HG2 VAL 92 -14.053 -4.168 7.638 731 2HG2 VAL 92 2HG2 VAL 92 -14.594 -5.357 6.453 732 3HG2 VAL 92 3HG2 VAL 92 -15.399 -5.243 8.019 733 H TYR 93 H TYR 93 -17.147 -0.516 8.313 734 HA TYR 93 HA TYR 93 -14.891 0.939 8.429 735 1HB TYR 93 2HB TYR 93 -15.861 2.168 10.276 736 2HB TYR 93 1HB TYR 93 -17.195 1.522 9.318 737 HD1 TYR 93 1HD TYR 93 -17.496 -1.207 10.059 738 HD2 TYR 93 2HD TYR 93 -16.378 2.110 12.548 739 HE1 TYR 93 1HE TYR 93 -18.344 -2.416 12.051 740 HE2 TYR 93 2HE TYR 93 -17.226 0.900 14.541 741 HH TYR 93 HH TYR 93 -18.871 -0.907 15.030 742 H ASP 94 H ASP 94 -15.767 -0.928 11.386 743 HA ASP 94 HA ASP 94 -13.437 -0.725 12.831 744 1HB ASP 94 2HB ASP 94 -13.997 -3.109 13.558 745 2HB ASP 94 1HB ASP 94 -15.335 -1.962 13.634 746 H GLN 95 H GLN 95 -13.986 -3.405 10.505 747 HA GLN 95 HA GLN 95 -11.418 -4.515 10.493 748 1HB GLN 95 2HB GLN 95 -13.818 -4.583 8.960 749 2HB GLN 95 1HB GLN 95 -12.478 -4.425 7.823 750 1HG GLN 95 2HG GLN 95 -11.695 -6.509 8.271 751 2HG GLN 95 1HG GLN 95 -11.980 -6.342 10.003 752 1HE2 GLN 95 1HE2 GLN 95 -14.149 -6.878 10.818 753 2HE2 GLN 95 2HE2 GLN 95 -15.227 -7.799 9.884 754 H LEU 96 H LEU 96 -12.610 -1.742 8.584 755 HA LEU 96 HA LEU 96 -10.031 -1.338 7.258 756 1HB LEU 96 2HB LEU 96 -12.225 0.706 7.441 757 2HB LEU 96 1HB LEU 96 -11.221 0.273 6.056 758 HG LEU 96 HG LEU 96 -12.830 -1.969 7.036 759 1HD1 LEU 96 1HD1 LEU 96 -14.716 -0.465 5.574 760 2HD1 LEU 96 2HD1 LEU 96 -14.089 0.626 6.809 761 3HD1 LEU 96 3HD1 LEU 96 -14.806 -0.916 7.277 762 1HD2 LEU 96 1HD2 LEU 96 -13.479 -1.833 4.516 763 2HD2 LEU 96 2HD2 LEU 96 -11.808 -2.219 4.926 764 3HD2 LEU 96 3HD2 LEU 96 -12.237 -0.585 4.423 765 H LYS 97 H LYS 97 -9.896 -1.307 10.186 766 HA LYS 97 HA LYS 97 -9.881 1.281 11.340 767 1HB LYS 97 2HB LYS 97 -9.153 0.032 13.083 768 2HB LYS 97 1HB LYS 97 -9.173 -1.353 11.992 769 1HG LYS 97 2HG LYS 97 -6.816 -0.234 11.269 770 2HG LYS 97 1HG LYS 97 -6.876 0.257 12.962 771 1HD LYS 97 2HD LYS 97 -6.629 -2.463 11.787 772 2HD LYS 97 1HD LYS 97 -5.946 -1.815 13.279 773 1HE LYS 97 2HE LYS 97 -8.846 -1.876 13.440 774 2HE LYS 97 1HE LYS 97 -8.197 -3.487 13.079 775 1HZ LYS 97 1HZ LYS 97 -7.970 -3.353 15.368 776 2HZ LYS 97 2HZ LYS 97 -6.435 -2.863 14.828 777 HA PRO 98 HA PRO 98 -5.253 1.529 9.944 778 1HB PRO 98 2HB PRO 98 -4.652 -0.096 7.775 779 2HB PRO 98 1HB PRO 98 -4.294 -0.501 9.465 780 1HG PRO 98 2HG PRO 98 -6.497 -1.442 7.720 781 2HG PRO 98 1HG PRO 98 -5.627 -2.292 9.005 782 1HD PRO 98 2HD PRO 98 -8.142 -1.289 9.302 783 2HD PRO 98 1HD PRO 98 -6.997 -1.482 10.648 784 H LEU 99 H LEU 99 -7.109 0.398 7.083 785 HA LEU 99 HA LEU 99 -6.361 2.294 5.202 786 1HB LEU 99 2HB LEU 99 -8.010 0.311 5.107 787 2HB LEU 99 1HB LEU 99 -9.234 1.460 5.650 788 HG LEU 99 HG LEU 99 -9.499 2.018 3.479 789 1HD1 LEU 99 1HD1 LEU 99 -6.722 3.108 3.981 790 2HD1 LEU 99 2HD1 LEU 99 -8.254 3.976 4.056 791 3HD1 LEU 99 3HD1 LEU 99 -7.617 3.444 2.499 792 1HD2 LEU 99 1HD2 LEU 99 -7.884 -0.135 3.172 793 2HD2 LEU 99 2HD2 LEU 99 -6.846 1.115 2.485 794 3HD2 LEU 99 3HD2 LEU 99 -8.453 0.836 1.814 795 H PHE 100 H PHE 100 -8.691 2.710 7.854 796 HA PHE 100 HA PHE 100 -9.339 5.466 7.029 797 1HB PHE 100 2HB PHE 100 -10.139 3.524 9.183 798 2HB PHE 100 1HB PHE 100 -10.566 5.228 9.345 799 HD1 PHE 100 1HD PHE 100 -12.947 4.065 9.255 800 HD2 PHE 100 2HD PHE 100 -10.251 4.385 5.927 801 HE1 PHE 100 1HE PHE 100 -14.842 3.741 7.688 802 HE2 PHE 100 2HE PHE 100 -12.146 4.061 4.360 803 HZ PHE 100 HZ PHE 100 -14.441 3.740 5.241 804 H ASP 101 H ASP 101 -7.131 3.824 9.169 805 HA ASP 101 HA ASP 101 -6.615 5.988 11.004 806 1HB ASP 101 2HB ASP 101 -5.056 4.498 11.847 807 2HB ASP 101 1HB ASP 101 -6.029 3.374 10.897 808 H PHE 102 H PHE 102 -5.285 5.088 7.842 809 HA PHE 102 HA PHE 102 -4.534 7.432 6.765 810 1HB PHE 102 2HB PHE 102 -3.095 6.962 9.308 811 2HB PHE 102 1HB PHE 102 -2.087 7.544 7.982 812 HD1 PHE 102 1HD PHE 102 -3.883 8.658 10.688 813 HD2 PHE 102 2HD PHE 102 -3.513 9.398 6.474 814 HE1 PHE 102 1HE PHE 102 -4.778 10.948 11.012 815 HE2 PHE 102 2HE PHE 102 -4.408 11.688 6.797 816 HZ PHE 102 HZ PHE 102 -5.040 12.463 9.066 817 H THR 103 H THR 103 -2.944 7.237 5.088 818 HA THR 103 HA THR 103 -1.610 4.559 4.898 819 HB THR 103 HB THR 103 -3.643 4.737 3.493 820 HG1 THR 103 1HG THR 103 -1.691 3.667 2.742 821 1HG2 THR 103 1HG2 THR 103 -2.523 6.696 1.631 822 2HG2 THR 103 2HG2 THR 103 -2.863 7.384 3.219 823 3HG2 THR 103 3HG2 THR 103 -4.149 6.593 2.309 824 H GLN 104 H GLN 104 -1.032 7.725 5.302 825 HA GLN 104 HA GLN 104 1.297 7.831 3.422 826 1HB GLN 104 2HB GLN 104 0.262 9.822 3.032 827 2HB GLN 104 1HB GLN 104 -0.670 9.724 4.528 828 1HG GLN 104 2HG GLN 104 1.805 10.129 5.553 829 2HG GLN 104 1HG GLN 104 1.965 10.993 4.022 830 1HE2 GLN 104 1HE2 GLN 104 2.071 12.857 5.787 831 2HE2 GLN 104 2HE2 GLN 104 0.586 13.585 6.169 832 H THR 105 H THR 105 3.318 8.764 4.354 833 HA THR 105 HA THR 105 3.787 7.735 7.095 834 HB THR 105 HB THR 105 6.003 7.602 6.397 835 HG1 THR 105 1HG THR 105 6.968 9.161 5.304 836 1HG2 THR 105 1HG2 THR 105 4.385 6.455 4.764 837 2HG2 THR 105 2HG2 THR 105 6.027 6.739 4.185 838 3HG2 THR 105 3HG2 THR 105 4.716 7.801 3.674 839 H ASP 106 H ASP 106 3.226 9.227 8.663 840 HA ASP 106 HA ASP 106 3.636 12.121 8.192 841 1HB ASP 106 2HB ASP 106 2.123 12.357 9.933 842 2HB ASP 106 1HB ASP 106 1.687 10.735 9.392 843 H GLY 107 H GLY 107 5.898 10.063 8.611 844 1HA GLY 107 2HA GLY 107 8.096 10.585 9.462 845 2HA GLY 107 1HA GLY 107 7.353 11.681 10.631 846 H SER 108 H SER 108 5.327 9.290 10.962 847 HA SER 108 HA SER 108 6.434 8.273 13.409 848 1HB SER 108 2HB SER 108 4.239 7.762 13.560 849 2HB SER 108 1HB SER 108 4.025 8.175 11.861 850 HG SER 108 HG SER 108 4.755 5.682 12.997 851 H ALA 109 H ALA 109 6.748 5.831 13.751 852 HA ALA 109 HA ALA 109 8.927 4.691 12.674 853 1HB ALA 109 1HB ALA 109 7.663 3.464 14.264 854 2HB ALA 109 2HB ALA 109 7.603 2.467 12.811 855 3HB ALA 109 3HB ALA 109 6.222 3.474 13.246 856 H SER 110 H SER 110 9.114 2.896 10.936 857 HA SER 110 HA SER 110 8.108 3.991 8.383 858 1HB SER 110 2HB SER 110 9.916 2.848 7.491 859 2HB SER 110 1HB SER 110 10.479 3.025 9.151 860 HG SER 110 HG SER 110 8.931 0.817 8.294 861 HA PRO 111 HA PRO 111 4.883 0.791 9.049 862 1HB PRO 111 2HB PRO 111 2.995 2.158 7.568 863 2HB PRO 111 1HB PRO 111 3.240 2.385 9.310 864 1HG PRO 111 2HG PRO 111 4.149 4.061 7.038 865 2HG PRO 111 1HG PRO 111 3.623 4.539 8.658 866 1HD PRO 111 2HD PRO 111 6.236 4.467 7.872 867 2HD PRO 111 1HD PRO 111 5.706 4.262 9.555 868 HA PRO 112 HA PRO 112 5.091 -1.301 5.204 869 1HB PRO 112 2HB PRO 112 2.158 -1.231 4.802 870 2HB PRO 112 1HB PRO 112 3.231 -2.628 5.009 871 1HG PRO 112 2HG PRO 112 1.527 -1.807 6.925 872 2HG PRO 112 1HG PRO 112 3.075 -2.586 7.280 873 1HD PRO 112 2HD PRO 112 2.299 0.267 7.528 874 2HD PRO 112 1HD PRO 112 3.465 -0.681 8.476 875 HA PRO 113 HA PRO 113 4.951 1.590 1.916 876 1HB PRO 113 2HB PRO 113 4.227 -0.063 -0.211 877 2HB PRO 113 1HB PRO 113 5.875 0.127 0.414 878 1HG PRO 113 2HG PRO 113 3.910 -2.038 0.894 879 2HG PRO 113 1HG PRO 113 5.675 -2.113 0.785 880 1HD PRO 113 2HD PRO 113 4.333 -2.253 3.137 881 2HD PRO 113 1HD PRO 113 5.966 -1.564 2.994 882 H ALA 114 H ALA 114 2.697 1.917 3.344 883 HA ALA 114 HA ALA 114 0.222 1.318 1.983 884 1HB ALA 114 1HB ALA 114 1.152 2.468 4.404 885 2HB ALA 114 2HB ALA 114 -0.511 2.059 3.986 886 3HB ALA 114 3HB ALA 114 0.112 3.673 3.645 887 HA PRO 115 HA PRO 115 0.905 4.297 -1.297 888 1HB PRO 115 2HB PRO 115 -1.944 3.691 -1.850 889 2HB PRO 115 1HB PRO 115 -0.535 3.543 -2.917 890 1HG PRO 115 2HG PRO 115 -1.775 1.408 -1.857 891 2HG PRO 115 1HG PRO 115 -0.040 1.437 -2.201 892 1HD PRO 115 2HD PRO 115 -1.450 1.612 0.404 893 2HD PRO 115 1HD PRO 115 0.147 0.933 0.019 894 H LYS 116 H LYS 116 0.261 6.485 -1.542 895 HA LYS 116 HA LYS 116 -1.168 7.665 0.729 896 1HB LYS 116 2HB LYS 116 0.875 8.604 -0.376 897 2HB LYS 116 1HB LYS 116 -0.084 8.889 -1.829 898 1HG LYS 116 2HG LYS 116 -1.592 9.998 0.262 899 2HG LYS 116 1HG LYS 116 0.072 10.475 0.597 900 1HD LYS 116 2HD LYS 116 -1.121 10.750 -2.162 901 2HD LYS 116 1HD LYS 116 -1.300 12.017 -0.948 902 1HE LYS 116 2HE LYS 116 1.270 11.881 -0.681 903 2HE LYS 116 1HE LYS 116 1.245 10.992 -2.217 904 1HZ LYS 116 1HZ LYS 116 1.302 13.620 -2.152 905 2HZ LYS 116 2HZ LYS 116 0.455 12.775 -3.358 906 H HIS 117 H HIS 117 -3.069 9.056 0.456 907 HA HIS 117 HA HIS 117 -4.820 8.166 -1.808 908 1HB HIS 117 2HB HIS 117 -5.276 9.014 1.054 909 2HB HIS 117 1HB HIS 117 -6.603 8.978 -0.107 910 HD1 HIS 117 1HD HIS 117 -7.737 6.961 1.094 911 HD2 HIS 117 2HD HIS 117 -3.890 6.153 -0.294 912 HE1 HIS 117 1HE HIS 117 -7.441 4.449 1.224 913 H HIS 118 H HIS 118 -6.126 9.793 -2.851 914 HA HIS 118 HA HIS 118 -4.928 12.244 -3.500 915 1HB HIS 118 2HB HIS 118 -6.856 11.025 -4.602 916 2HB HIS 118 1HB HIS 118 -7.902 11.671 -3.336 917 HD1 HIS 118 1HD HIS 118 -7.346 14.496 -3.064 918 HD2 HIS 118 2HD HIS 118 -6.999 12.676 -6.798 919 HE1 HIS 118 1HE HIS 118 -7.508 16.350 -4.783 920 H HIS 119 H HIS 119 -4.926 14.287 -2.559 921 HA HIS 119 HA HIS 119 -5.513 14.584 0.234 922 1HB HIS 119 2HB HIS 119 -3.937 15.839 -1.469 923 2HB HIS 119 1HB HIS 119 -5.344 16.880 -1.699 924 HD1 HIS 119 1HD HIS 119 -6.024 18.422 0.239 925 HD2 HIS 119 2HD HIS 119 -2.809 15.940 1.177 926 HE1 HIS 119 1HE HIS 119 -5.080 19.270 2.430 927 H ALA 120 H ALA 120 -7.190 15.861 1.225 928 HA ALA 120 HA ALA 120 -9.818 15.473 0.657 929 1HB ALA 120 1HB ALA 120 -8.533 18.084 1.525 930 2HB ALA 120 2HB ALA 120 -8.929 16.728 2.581 931 3HB ALA 120 3HB ALA 120 -10.219 17.644 1.801 932 H SER 121 H SER 121 -11.477 17.037 -0.295 933 HA SER 121 HA SER 121 -10.592 17.852 -3.013 934 1HB SER 121 2HB SER 121 -13.097 17.053 -1.624 935 2HB SER 121 1HB SER 121 -13.281 18.215 -2.935 936 HG SER 121 HG SER 121 -13.340 16.248 -3.895 937 H LYS 122 H LYS 122 -9.896 19.958 -3.142 938 HA LYS 122 HA LYS 122 -11.298 22.004 -1.457 939 1HB LYS 122 2HB LYS 122 -8.523 21.375 -2.092 940 2HB LYS 122 1HB LYS 122 -8.900 23.062 -2.439 941 1HG LYS 122 2HG LYS 122 -10.151 22.698 -0.021 942 2HG LYS 122 1HG LYS 122 -8.724 21.677 0.153 943 1HD LYS 122 2HD LYS 122 -8.194 24.303 -1.079 944 2HD LYS 122 1HD LYS 122 -8.747 24.381 0.595 945 1HE LYS 122 2HE LYS 122 -6.822 23.434 1.400 946 2HE LYS 122 1HE LYS 122 -6.691 22.310 0.033 947 1HZ LYS 122 1HZ LYS 122 -6.102 24.208 -1.384 948 2HZ LYS 122 2HZ LYS 122 -6.122 25.228 -0.026 949 H VAL 123 H VAL 123 -12.982 22.397 -3.065 950 HA VAL 123 HA VAL 123 -12.237 23.120 -5.807 951 HB VAL 123 HB VAL 123 -14.734 22.963 -4.131 952 1HG1 VAL 123 1HG1 VAL 123 -14.309 24.476 -6.674 953 2HG1 VAL 123 2HG1 VAL 123 -15.410 24.814 -5.339 954 3HG1 VAL 123 3HG1 VAL 123 -15.801 23.550 -6.505 955 1HG2 VAL 123 1HG2 VAL 123 -13.797 20.919 -5.175 956 2HG2 VAL 123 2HG2 VAL 123 -13.882 21.697 -6.756 957 3HG2 VAL 123 3HG2 VAL 123 -15.363 21.334 -5.870 958 H ASP 124 H ASP 124 -12.338 25.243 -6.680 959 HA ASP 124 HA ASP 124 -11.498 27.416 -5.052 960 1HB ASP 124 2HB ASP 124 -13.026 27.673 -7.645 961 2HB ASP 124 1HB ASP 124 -11.671 28.648 -7.073 Start of MODEL 13 1 H SER 2 H SER 2 -0.857 -5.992 11.894 2 HA SER 2 HA SER 2 0.338 -4.135 10.617 3 1HB SER 2 2HB SER 2 0.634 -6.575 8.870 4 2HB SER 2 1HB SER 2 0.811 -4.959 8.192 5 HG SER 2 HG SER 2 2.805 -5.799 8.922 6 H ASN 3 H ASN 3 -2.135 -3.893 11.186 7 HA ASN 3 HA ASN 3 -4.041 -4.527 9.066 8 1HB ASN 3 2HB ASN 3 -4.421 -2.505 11.268 9 2HB ASN 3 1HB ASN 3 -5.598 -3.631 10.589 10 1HD2 ASN 3 1HD2 ASN 3 -5.073 -3.476 13.425 11 2HD2 ASN 3 2HD2 ASN 3 -4.369 -4.944 13.905 12 H GLN 4 H GLN 4 -1.563 -2.457 8.938 13 HA GLN 4 HA GLN 4 -2.742 0.075 8.233 14 1HB GLN 4 2HB GLN 4 -0.214 -1.087 8.595 15 2HB GLN 4 1HB GLN 4 -0.232 -0.561 6.911 16 1HG GLN 4 2HG GLN 4 -1.045 1.684 7.683 17 2HG GLN 4 1HG GLN 4 -0.831 1.140 9.347 18 1HE2 GLN 4 1HE2 GLN 4 0.696 3.322 8.577 19 2HE2 GLN 4 2HE2 GLN 4 2.318 2.867 8.373 20 H ILE 5 H ILE 5 -2.018 0.856 5.811 21 HA ILE 5 HA ILE 5 -3.301 -1.096 3.927 22 HB ILE 5 HB ILE 5 -3.969 1.528 4.696 23 1HG1 ILE 5 2HG1 ILE 5 -5.549 1.245 2.640 24 2HG1 ILE 5 1HG1 ILE 5 -4.803 -0.346 2.488 25 1HG2 ILE 5 1HG2 ILE 5 -2.540 1.402 2.046 26 2HG2 ILE 5 2HG2 ILE 5 -2.407 2.618 3.317 27 3HG2 ILE 5 3HG2 ILE 5 -3.847 2.559 2.302 28 1HD1 ILE 5 1HD1 ILE 5 -6.426 0.750 4.781 29 2HD1 ILE 5 2HD1 ILE 5 -5.341 -0.623 5.002 30 3HD1 ILE 5 3HD1 ILE 5 -6.684 -0.734 3.864 31 H TYR 6 H TYR 6 -1.223 -2.025 3.330 32 HA TYR 6 HA TYR 6 1.108 -0.620 2.570 33 1HB TYR 6 2HB TYR 6 -0.143 -3.205 1.594 34 2HB TYR 6 1HB TYR 6 1.511 -2.721 1.218 35 HD1 TYR 6 1HD TYR 6 1.340 -5.204 2.575 36 HD2 TYR 6 2HD TYR 6 1.100 -1.255 4.247 37 HE1 TYR 6 1HE TYR 6 2.099 -6.085 4.766 38 HE2 TYR 6 2HE TYR 6 1.859 -2.135 6.438 39 HH TYR 6 HH TYR 6 2.067 -5.529 7.082 40 H SER 7 H SER 7 1.919 -0.383 0.266 41 HA SER 7 HA SER 7 -0.281 0.642 -1.494 42 1HB SER 7 2HB SER 7 1.036 2.488 -1.166 43 2HB SER 7 1HB SER 7 2.437 1.524 -0.708 44 HG SER 7 HG SER 7 2.748 1.059 -2.909 45 H ALA 8 H ALA 8 -0.311 -0.030 -3.670 46 HA ALA 8 HA ALA 8 1.865 -1.824 -4.633 47 1HB ALA 8 1HB ALA 8 -0.538 -3.060 -5.392 48 2HB ALA 8 2HB ALA 8 -0.794 -2.579 -3.714 49 3HB ALA 8 3HB ALA 8 0.570 -3.613 -4.137 50 H ARG 9 H ARG 9 1.885 -2.002 -6.966 51 HA ARG 9 HA ARG 9 -0.086 -0.382 -8.489 52 1HB ARG 9 2HB ARG 9 1.330 1.365 -8.678 53 2HB ARG 9 1HB ARG 9 2.478 0.534 -7.628 54 1HG ARG 9 2HG ARG 9 3.539 -0.543 -9.488 55 2HG ARG 9 1HG ARG 9 2.256 -0.043 -10.590 56 1HD ARG 9 2HD ARG 9 4.091 1.469 -10.975 57 2HD ARG 9 1HD ARG 9 2.914 2.379 -10.006 58 HE ARG 9 HE ARG 9 4.280 1.687 -7.984 59 1HH1 ARG 9 1HH1 ARG 9 5.592 1.627 -11.173 60 1HH2 ARG 9 1HH2 ARG 9 6.418 1.878 -7.275 61 2HH2 ARG 9 2HH2 ARG 9 7.703 1.916 -8.436 62 H TYR 10 H TYR 10 -0.615 -1.613 -10.247 63 HA TYR 10 HA TYR 10 1.530 -3.154 -11.634 64 1HB TYR 10 2HB TYR 10 -1.133 -4.268 -10.688 65 2HB TYR 10 1HB TYR 10 0.104 -5.160 -11.577 66 HD1 TYR 10 1HD TYR 10 -1.198 -4.842 -8.436 67 HD2 TYR 10 2HD TYR 10 2.601 -4.614 -10.425 68 HE1 TYR 10 1HE TYR 10 -0.050 -5.376 -6.304 69 HE2 TYR 10 2HE TYR 10 3.750 -5.149 -8.294 70 HH TYR 10 HH TYR 10 1.912 -5.564 -5.271 71 H SER 11 H SER 11 0.692 -3.966 -13.795 72 HA SER 11 HA SER 11 -0.292 -3.458 -15.885 73 1HB SER 11 2HB SER 11 -2.379 -4.207 -15.414 74 2HB SER 11 1HB SER 11 -2.294 -3.576 -13.772 75 HG SER 11 HG SER 11 -3.061 -2.251 -16.153 76 H GLY 12 H GLY 12 1.142 -1.277 -14.397 77 1HA GLY 12 2HA GLY 12 1.621 0.967 -14.985 78 2HA GLY 12 1HA GLY 12 0.226 0.945 -16.065 79 H VAL 13 H VAL 13 -1.245 -0.200 -13.527 80 HA VAL 13 HA VAL 13 -2.196 2.445 -12.634 81 HB VAL 13 HB VAL 13 -3.092 -0.271 -11.671 82 1HG1 VAL 13 1HG1 VAL 13 -5.030 1.806 -12.439 83 2HG1 VAL 13 2HG1 VAL 13 -3.950 2.287 -11.130 84 3HG1 VAL 13 3HG1 VAL 13 -4.943 0.840 -10.968 85 1HG2 VAL 13 1HG2 VAL 13 -3.192 -0.754 -13.932 86 2HG2 VAL 13 2HG2 VAL 13 -3.321 0.944 -14.394 87 3HG2 VAL 13 3HG2 VAL 13 -4.728 0.095 -13.751 88 H ASP 14 H ASP 14 -2.182 3.102 -10.412 89 HA ASP 14 HA ASP 14 -0.090 1.752 -8.743 90 1HB ASP 14 2HB ASP 14 0.312 4.092 -9.492 91 2HB ASP 14 1HB ASP 14 -1.184 4.585 -8.698 92 H VAL 15 H VAL 15 -0.893 0.668 -6.973 93 HA VAL 15 HA VAL 15 -3.318 1.744 -5.614 94 HB VAL 15 HB VAL 15 -4.336 -0.507 -5.693 95 1HG1 VAL 15 1HG1 VAL 15 -4.298 1.322 -7.689 96 2HG1 VAL 15 2HG1 VAL 15 -5.217 -0.181 -7.782 97 3HG1 VAL 15 3HG1 VAL 15 -3.630 -0.068 -8.545 98 1HG2 VAL 15 1HG2 VAL 15 -1.671 -1.137 -6.845 99 2HG2 VAL 15 2HG2 VAL 15 -3.047 -1.943 -7.600 100 3HG2 VAL 15 3HG2 VAL 15 -2.744 -2.145 -5.873 101 H TYR 16 H TYR 16 -3.717 0.244 -3.578 102 HA TYR 16 HA TYR 16 -1.054 -0.378 -2.340 103 1HB TYR 16 2HB TYR 16 -3.414 0.392 -0.689 104 2HB TYR 16 1HB TYR 16 -1.716 0.829 -0.490 105 HD1 TYR 16 1HD TYR 16 -1.060 1.883 -3.179 106 HD2 TYR 16 2HD TYR 16 -4.549 2.465 -0.741 107 HE1 TYR 16 1HE TYR 16 -1.484 4.053 -4.303 108 HE2 TYR 16 2HE TYR 16 -4.972 4.635 -1.865 109 HH TYR 16 HH TYR 16 -4.427 5.889 -3.701 110 H GLU 17 H GLU 17 -1.021 -2.240 -0.944 111 HA GLU 17 HA GLU 17 -3.423 -4.022 -1.214 112 1HB GLU 17 2HB GLU 17 -1.275 -5.669 -0.766 113 2HB GLU 17 1HB GLU 17 -1.869 -5.232 -2.368 114 1HG GLU 17 2HG GLU 17 -0.328 -3.249 -2.330 115 2HG GLU 17 1HG GLU 17 0.345 -3.861 -0.819 116 H PHE 18 H PHE 18 -4.425 -4.092 0.760 117 HA PHE 18 HA PHE 18 -2.701 -4.408 3.194 118 1HB PHE 18 2HB PHE 18 -3.599 -2.161 3.128 119 2HB PHE 18 1HB PHE 18 -5.208 -2.764 2.731 120 HD1 PHE 18 1HD PHE 18 -2.933 -4.377 5.161 121 HD2 PHE 18 2HD PHE 18 -6.364 -1.845 4.645 122 HE1 PHE 18 1HE PHE 18 -3.453 -4.590 7.577 123 HE2 PHE 18 2HE PHE 18 -6.884 -2.058 7.060 124 HZ PHE 18 HZ PHE 18 -5.428 -3.430 8.527 125 H ILE 19 H ILE 19 -3.531 -5.874 4.757 126 HA ILE 19 HA ILE 19 -5.368 -7.911 3.738 127 HB ILE 19 HB ILE 19 -3.923 -7.436 6.362 128 1HG1 ILE 19 2HG1 ILE 19 -2.655 -7.971 4.187 129 2HG1 ILE 19 1HG1 ILE 19 -2.349 -9.036 5.561 130 1HG2 ILE 19 1HG2 ILE 19 -5.665 -9.730 5.435 131 2HG2 ILE 19 2HG2 ILE 19 -5.818 -8.784 6.915 132 3HG2 ILE 19 3HG2 ILE 19 -4.472 -9.907 6.722 133 1HD1 ILE 19 1HD1 ILE 19 -3.746 -10.748 4.682 134 2HD1 ILE 19 2HD1 ILE 19 -2.801 -10.179 3.306 135 3HD1 ILE 19 3HD1 ILE 19 -4.473 -9.656 3.503 136 H HIS 20 H HIS 20 -7.533 -8.045 4.161 137 HA HIS 20 HA HIS 20 -8.683 -6.605 6.491 138 1HB HIS 20 2HB HIS 20 -8.784 -5.781 3.685 139 2HB HIS 20 1HB HIS 20 -10.393 -5.962 4.384 140 HD1 HIS 20 1HD HIS 20 -8.222 -5.179 7.100 141 HD2 HIS 20 2HD HIS 20 -10.013 -2.918 4.090 142 HE1 HIS 20 1HE HIS 20 -8.180 -2.773 7.892 143 H SER 21 H SER 21 -11.335 -6.964 4.913 144 HA SER 21 HA SER 21 -12.118 -9.473 6.051 145 1HB SER 21 2HB SER 21 -14.110 -9.089 4.517 146 2HB SER 21 1HB SER 21 -13.713 -7.725 5.558 147 HG SER 21 HG SER 21 -13.340 -6.605 3.830 148 H THR 22 H THR 22 -11.116 -8.542 2.762 149 HA THR 22 HA THR 22 -11.252 -11.378 1.875 150 HB THR 22 HB THR 22 -12.018 -10.183 0.090 151 HG1 THR 22 1HG THR 22 -9.575 -10.639 -0.229 152 1HG2 THR 22 1HG2 THR 22 -11.963 -8.154 1.701 153 2HG2 THR 22 2HG2 THR 22 -11.985 -7.829 -0.033 154 3HG2 THR 22 3HG2 THR 22 -10.472 -7.715 0.867 155 H GLY 23 H GLY 23 -9.150 -9.721 3.647 156 1HA GLY 23 2HA GLY 23 -6.903 -10.429 4.130 157 2HA GLY 23 1HA GLY 23 -6.812 -11.151 2.520 158 H SER 24 H SER 24 -5.496 -10.048 1.164 159 HA SER 24 HA SER 24 -4.599 -7.339 1.762 160 1HB SER 24 2HB SER 24 -3.156 -9.059 0.769 161 2HB SER 24 1HB SER 24 -4.238 -9.195 -0.613 162 HG SER 24 HG SER 24 -2.308 -7.780 -0.807 163 H ILE 25 H ILE 25 -5.409 -5.449 0.917 164 HA ILE 25 HA ILE 25 -7.552 -5.673 -1.171 165 HB ILE 25 HB ILE 25 -7.201 -3.390 0.764 166 1HG1 ILE 25 2HG1 ILE 25 -9.099 -5.447 1.618 167 2HG1 ILE 25 1HG1 ILE 25 -7.434 -6.031 1.613 168 1HG2 ILE 25 1HG2 ILE 25 -8.963 -3.875 -1.290 169 2HG2 ILE 25 2HG2 ILE 25 -9.287 -2.806 0.075 170 3HG2 ILE 25 3HG2 ILE 25 -9.861 -4.472 0.105 171 1HD1 ILE 25 1HD1 ILE 25 -6.917 -3.747 2.798 172 2HD1 ILE 25 2HD1 ILE 25 -7.594 -5.075 3.740 173 3HD1 ILE 25 3HD1 ILE 25 -8.638 -3.767 3.181 174 H MET 26 H MET 26 -7.045 -4.698 -3.096 175 HA MET 26 HA MET 26 -4.824 -2.680 -3.103 176 1HB MET 26 2HB MET 26 -5.614 -4.983 -4.816 177 2HB MET 26 1HB MET 26 -4.947 -3.577 -5.647 178 1HG MET 26 2HG MET 26 -2.915 -3.680 -4.402 179 2HG MET 26 1HG MET 26 -3.601 -4.817 -3.242 180 1HE MET 26 1HE MET 26 -1.815 -5.544 -7.339 181 2HE MET 26 2HE MET 26 -1.145 -4.597 -6.011 182 3HE MET 26 3HE MET 26 -2.630 -4.069 -6.799 183 H LYS 27 H LYS 27 -5.468 -0.643 -3.639 184 HA LYS 27 HA LYS 27 -8.083 -0.298 -5.057 185 1HB LYS 27 2HB LYS 27 -6.439 1.603 -3.353 186 2HB LYS 27 1HB LYS 27 -8.064 1.909 -3.969 187 1HG LYS 27 2HG LYS 27 -8.936 0.014 -2.679 188 2HG LYS 27 1HG LYS 27 -7.312 -0.356 -2.098 189 1HD LYS 27 2HD LYS 27 -8.582 2.349 -1.655 190 2HD LYS 27 1HD LYS 27 -8.811 1.015 -0.523 191 1HE LYS 27 2HE LYS 27 -6.732 1.289 0.347 192 2HE LYS 27 1HE LYS 27 -5.996 1.372 -1.267 193 1HZ LYS 27 1HZ LYS 27 -6.395 3.494 0.403 194 2HZ LYS 27 2HZ LYS 27 -6.082 3.587 -1.264 195 H ARG 28 H ARG 28 -8.141 1.636 -6.556 196 HA ARG 28 HA ARG 28 -5.763 1.617 -8.310 197 1HB ARG 28 2HB ARG 28 -8.360 1.494 -8.836 198 2HB ARG 28 1HB ARG 28 -8.240 3.252 -8.755 199 1HG ARG 28 2HG ARG 28 -6.057 2.642 -10.288 200 2HG ARG 28 1HG ARG 28 -7.194 1.390 -10.790 201 1HD ARG 28 2HD ARG 28 -8.619 3.878 -10.602 202 2HD ARG 28 1HD ARG 28 -7.173 4.117 -11.603 203 HE ARG 28 HE ARG 28 -9.383 2.801 -12.593 204 1HH1 ARG 28 1HH1 ARG 28 -6.180 1.881 -11.706 205 1HH2 ARG 28 1HH2 ARG 28 -9.276 1.130 -14.113 206 2HH2 ARG 28 2HH2 ARG 28 -7.837 0.173 -14.228 207 H LYS 29 H LYS 29 -4.295 3.283 -8.369 208 HA LYS 29 HA LYS 29 -4.320 5.392 -6.417 209 1HB LYS 29 2HB LYS 29 -2.259 4.546 -7.275 210 2HB LYS 29 1HB LYS 29 -2.766 4.814 -8.943 211 1HG LYS 29 2HG LYS 29 -2.814 7.265 -8.503 212 2HG LYS 29 1HG LYS 29 -2.205 6.960 -6.876 213 1HD LYS 29 2HD LYS 29 -0.177 5.937 -7.798 214 2HD LYS 29 1HD LYS 29 -0.789 6.164 -9.436 215 1HE LYS 29 2HE LYS 29 -0.791 8.614 -9.113 216 2HE LYS 29 1HE LYS 29 -0.187 8.394 -7.458 217 1HZ LYS 29 1HZ LYS 29 1.456 6.825 -8.926 218 2HZ LYS 29 2HZ LYS 29 1.217 8.150 -9.961 219 H LYS 30 H LYS 30 -5.254 5.264 -9.841 220 HA LYS 30 HA LYS 30 -5.474 7.984 -10.470 221 1HB LYS 30 2HB LYS 30 -7.578 5.929 -11.163 222 2HB LYS 30 1HB LYS 30 -6.948 7.229 -12.174 223 1HG LYS 30 2HG LYS 30 -4.728 6.100 -12.191 224 2HG LYS 30 1HG LYS 30 -5.425 4.769 -11.267 225 1HD LYS 30 2HD LYS 30 -7.227 4.878 -13.260 226 2HD LYS 30 1HD LYS 30 -5.822 5.500 -14.125 227 1HE LYS 30 2HE LYS 30 -5.165 3.170 -12.471 228 2HE LYS 30 1HE LYS 30 -6.371 2.811 -13.723 229 1HZ LYS 30 1HZ LYS 30 -3.624 3.310 -14.057 230 2HZ LYS 30 2HZ LYS 30 -4.780 2.944 -15.246 231 H ASP 31 H ASP 31 -8.144 5.967 -9.177 232 HA ASP 31 HA ASP 31 -9.332 8.471 -8.025 233 1HB ASP 31 2HB ASP 31 -10.320 6.381 -9.738 234 2HB ASP 31 1HB ASP 31 -11.239 6.373 -8.232 235 H ASP 32 H ASP 32 -7.470 6.094 -6.981 236 HA ASP 32 HA ASP 32 -7.273 4.857 -4.968 237 1HB ASP 32 2HB ASP 32 -7.579 7.491 -4.528 238 2HB ASP 32 1HB ASP 32 -9.015 6.913 -3.682 239 H TRP 33 H TRP 33 -9.084 3.480 -6.310 240 HA TRP 33 HA TRP 33 -11.691 3.438 -4.909 241 1HB TRP 33 2HB TRP 33 -10.716 1.490 -6.992 242 2HB TRP 33 1HB TRP 33 -12.355 2.076 -6.714 243 HD1 TRP 33 HD TRP 33 -8.939 3.649 -7.657 244 HE1 TRP 33 1HE TRP 33 -9.364 5.459 -9.443 245 HE3 TRP 33 3HE TRP 33 -14.023 3.350 -8.024 246 HZ2 TRP 33 2HZ TRP 33 -11.569 6.626 -10.843 247 HZ3 TRP 33 3HZ TRP 33 -15.259 4.821 -9.590 248 HH2 TRP 33 HH TRP 33 -14.040 6.457 -10.998 249 H VAL 34 H VAL 34 -12.477 1.399 -3.947 250 HA VAL 34 HA VAL 34 -10.261 -0.337 -2.907 251 HB VAL 34 HB VAL 34 -12.811 0.268 -1.422 252 1HG1 VAL 34 1HG1 VAL 34 -10.191 -0.957 -0.901 253 2HG1 VAL 34 2HG1 VAL 34 -11.718 -1.166 -0.045 254 3HG1 VAL 34 3HG1 VAL 34 -10.678 0.208 0.330 255 1HG2 VAL 34 1HG2 VAL 34 -11.709 2.207 -0.386 256 2HG2 VAL 34 2HG2 VAL 34 -11.848 2.446 -2.128 257 3HG2 VAL 34 3HG2 VAL 34 -10.302 1.976 -1.422 258 H ASN 35 H ASN 35 -10.757 -2.575 -2.773 259 HA ASN 35 HA ASN 35 -12.591 -3.667 -4.659 260 1HB ASN 35 2HB ASN 35 -10.831 -5.059 -4.039 261 2HB ASN 35 1HB ASN 35 -10.966 -4.634 -2.332 262 1HD2 ASN 35 1HD2 ASN 35 -12.940 -6.264 -4.886 263 2HD2 ASN 35 2HD2 ASN 35 -13.576 -7.441 -3.842 264 H ALA 36 H ALA 36 -14.759 -3.052 -4.388 265 HA ALA 36 HA ALA 36 -16.288 -2.519 -2.181 266 1HB ALA 36 1HB ALA 36 -17.094 -2.579 -4.506 267 2HB ALA 36 2HB ALA 36 -18.164 -3.529 -3.475 268 3HB ALA 36 3HB ALA 36 -16.989 -4.340 -4.511 269 H THR 37 H THR 37 -14.900 -5.648 -2.980 270 HA THR 37 HA THR 37 -16.560 -7.306 -1.334 271 HB THR 37 HB THR 37 -13.598 -7.647 -1.863 272 HG1 THR 37 1HG THR 37 -15.625 -8.500 -3.611 273 1HG2 THR 37 1HG2 THR 37 -13.953 -9.862 -1.420 274 2HG2 THR 37 2HG2 THR 37 -15.574 -9.846 -2.116 275 3HG2 THR 37 3HG2 THR 37 -15.308 -9.228 -0.487 276 H HIS 38 H HIS 38 -13.375 -5.812 -0.652 277 HA HIS 38 HA HIS 38 -13.217 -6.539 2.100 278 1HB HIS 38 2HB HIS 38 -11.244 -5.489 1.721 279 2HB HIS 38 1HB HIS 38 -11.861 -4.901 0.176 280 HD1 HIS 38 1HD HIS 38 -10.180 -3.404 2.668 281 HD2 HIS 38 2HD HIS 38 -14.062 -2.712 1.315 282 HE1 HIS 38 1HE HIS 38 -10.782 -1.053 3.390 283 H ILE 39 H ILE 39 -14.984 -4.047 0.405 284 HA ILE 39 HA ILE 39 -15.799 -2.650 2.883 285 HB ILE 39 HB ILE 39 -15.229 -1.472 0.763 286 1HG1 ILE 39 2HG1 ILE 39 -17.576 -1.137 2.360 287 2HG1 ILE 39 1HG1 ILE 39 -16.672 0.100 1.484 288 1HG2 ILE 39 1HG2 ILE 39 -17.639 -2.993 -0.276 289 2HG2 ILE 39 2HG2 ILE 39 -15.971 -3.171 -0.821 290 3HG2 ILE 39 3HG2 ILE 39 -16.845 -1.671 -1.133 291 1HD1 ILE 39 1HD1 ILE 39 -17.941 -0.772 -0.609 292 2HD1 ILE 39 2HD1 ILE 39 -18.823 0.238 0.536 293 3HD1 ILE 39 3HD1 ILE 39 -19.040 -1.513 0.553 294 H LEU 40 H LEU 40 -17.289 -4.517 0.228 295 HA LEU 40 HA LEU 40 -19.858 -4.680 1.691 296 1HB LEU 40 2HB LEU 40 -18.785 -5.281 -1.038 297 2HB LEU 40 1HB LEU 40 -20.250 -6.119 -0.523 298 HG LEU 40 HG LEU 40 -20.119 -3.542 -1.588 299 1HD1 LEU 40 1HD1 LEU 40 -22.402 -4.342 0.179 300 2HD1 LEU 40 2HD1 LEU 40 -22.019 -5.360 -1.211 301 3HD1 LEU 40 3HD1 LEU 40 -22.431 -3.662 -1.448 302 1HD2 LEU 40 1HD2 LEU 40 -20.676 -2.029 0.183 303 2HD2 LEU 40 2HD2 LEU 40 -19.241 -2.897 0.725 304 3HD2 LEU 40 3HD2 LEU 40 -20.829 -3.344 1.349 305 H LYS 41 H LYS 41 -17.440 -6.956 0.327 306 HA LYS 41 HA LYS 41 -18.603 -9.324 1.473 307 1HB LYS 41 2HB LYS 41 -16.927 -10.263 0.258 308 2HB LYS 41 1HB LYS 41 -16.551 -8.623 -0.273 309 1HG LYS 41 2HG LYS 41 -14.495 -9.328 0.591 310 2HG LYS 41 1HG LYS 41 -15.203 -8.494 1.974 311 1HD LYS 41 2HD LYS 41 -15.009 -10.394 3.162 312 2HD LYS 41 1HD LYS 41 -16.173 -11.148 2.073 313 1HE LYS 41 2HE LYS 41 -13.717 -11.105 0.664 314 2HE LYS 41 1HE LYS 41 -13.346 -11.676 2.303 315 1HZ LYS 41 1HZ LYS 41 -14.118 -13.480 0.835 316 2HZ LYS 41 2HZ LYS 41 -15.147 -13.245 2.166 317 H ALA 42 H ALA 42 -16.504 -6.838 2.730 318 HA ALA 42 HA ALA 42 -15.318 -8.233 4.929 319 1HB ALA 42 1HB ALA 42 -16.148 -5.351 4.470 320 2HB ALA 42 2HB ALA 42 -14.550 -6.053 4.216 321 3HB ALA 42 3HB ALA 42 -15.181 -5.866 5.852 322 H ALA 43 H ALA 43 -18.545 -7.116 4.347 323 HA ALA 43 HA ALA 43 -19.292 -7.830 7.166 324 1HB ALA 43 1HB ALA 43 -21.151 -6.019 5.924 325 2HB ALA 43 2HB ALA 43 -19.517 -5.383 5.730 326 3HB ALA 43 3HB ALA 43 -20.138 -5.744 7.340 327 H ASN 44 H ASN 44 -19.604 -8.686 3.928 328 HA ASN 44 HA ASN 44 -22.217 -10.054 4.492 329 1HB ASN 44 2HB ASN 44 -21.808 -9.540 1.693 330 2HB ASN 44 1HB ASN 44 -23.087 -8.930 2.742 331 1HD2 ASN 44 1HD2 ASN 44 -21.504 -7.477 0.603 332 2HD2 ASN 44 2HD2 ASN 44 -20.822 -6.140 1.398 333 H PHE 45 H PHE 45 -19.051 -10.653 4.184 334 HA PHE 45 HA PHE 45 -17.784 -12.515 3.457 335 1HB PHE 45 2HB PHE 45 -20.430 -13.316 4.350 336 2HB PHE 45 1HB PHE 45 -19.814 -14.440 3.138 337 HD1 PHE 45 1HD PHE 45 -20.043 -14.117 6.504 338 HD2 PHE 45 2HD PHE 45 -17.008 -14.619 3.506 339 HE1 PHE 45 1HE PHE 45 -18.536 -15.123 8.198 340 HE2 PHE 45 2HE PHE 45 -15.501 -15.625 5.199 341 HZ PHE 45 HZ PHE 45 -16.265 -15.876 7.545 342 H ALA 46 H ALA 46 -17.220 -13.648 1.508 343 HA ALA 46 HA ALA 46 -18.509 -12.581 -0.921 344 1HB ALA 46 1HB ALA 46 -16.329 -12.709 -1.510 345 2HB ALA 46 2HB ALA 46 -16.486 -14.466 -1.527 346 3HB ALA 46 3HB ALA 46 -15.956 -13.642 -0.061 347 H LYS 47 H LYS 47 -20.521 -13.665 -0.965 348 HA LYS 47 HA LYS 47 -20.368 -16.537 -1.768 349 1HB LYS 47 2HB LYS 47 -21.044 -15.956 0.716 350 2HB LYS 47 1HB LYS 47 -22.583 -15.496 -0.014 351 1HG LYS 47 2HG LYS 47 -22.503 -17.796 -1.184 352 2HG LYS 47 1HG LYS 47 -21.251 -18.202 -0.010 353 1HD LYS 47 2HD LYS 47 -23.148 -18.905 1.132 354 2HD LYS 47 1HD LYS 47 -23.009 -17.248 1.721 355 1HE LYS 47 2HE LYS 47 -24.784 -16.486 0.397 356 2HE LYS 47 1HE LYS 47 -24.612 -17.814 -0.768 357 1HZ LYS 47 1HZ LYS 47 -25.040 -18.729 1.913 358 2HZ LYS 47 2HZ LYS 47 -25.849 -19.163 0.483 359 H ALA 48 H ALA 48 -23.084 -16.911 -2.293 360 HA ALA 48 HA ALA 48 -23.503 -15.657 -4.782 361 1HB ALA 48 1HB ALA 48 -24.949 -17.427 -4.403 362 2HB ALA 48 2HB ALA 48 -26.032 -16.116 -3.933 363 3HB ALA 48 3HB ALA 48 -25.154 -17.019 -2.699 364 H LYS 49 H LYS 49 -23.983 -14.498 -1.535 365 HA LYS 49 HA LYS 49 -25.717 -12.263 -2.114 366 1HB LYS 49 2HB LYS 49 -24.070 -13.356 0.074 367 2HB LYS 49 1HB LYS 49 -24.199 -11.597 0.098 368 1HG LYS 49 2HG LYS 49 -26.766 -12.124 -0.352 369 2HG LYS 49 1HG LYS 49 -26.344 -13.659 0.407 370 1HD LYS 49 2HD LYS 49 -26.327 -12.703 2.444 371 2HD LYS 49 1HD LYS 49 -25.177 -11.481 1.899 372 1HE LYS 49 2HE LYS 49 -27.423 -10.572 2.721 373 2HE LYS 49 1HE LYS 49 -26.966 -10.061 1.084 374 1HZ LYS 49 1HZ LYS 49 -28.248 -11.851 0.159 375 2HZ LYS 49 2HZ LYS 49 -28.625 -12.448 1.704 376 H ARG 50 H ARG 50 -22.159 -12.510 -1.622 377 HA ARG 50 HA ARG 50 -21.543 -9.796 -2.233 378 1HB ARG 50 2HB ARG 50 -20.181 -11.844 -1.269 379 2HB ARG 50 1HB ARG 50 -19.747 -12.094 -2.960 380 1HG ARG 50 2HG ARG 50 -18.069 -10.675 -1.889 381 2HG ARG 50 1HG ARG 50 -18.967 -9.730 -3.077 382 1HD ARG 50 2HD ARG 50 -18.594 -9.010 -0.420 383 2HD ARG 50 1HD ARG 50 -19.868 -8.370 -1.477 384 HE ARG 50 HE ARG 50 -20.215 -10.707 0.357 385 1HH1 ARG 50 1HH1 ARG 50 -21.390 -8.182 -1.677 386 1HH2 ARG 50 1HH2 ARG 50 -22.369 -11.009 0.968 387 2HH2 ARG 50 2HH2 ARG 50 -23.601 -10.003 0.279 388 H THR 51 H THR 51 -22.254 -12.551 -4.299 389 HA THR 51 HA THR 51 -21.165 -11.497 -6.752 390 HB THR 51 HB THR 51 -23.091 -13.604 -5.862 391 HG1 THR 51 1HG THR 51 -21.654 -14.826 -7.186 392 1HG2 THR 51 1HG2 THR 51 -24.197 -13.844 -7.836 393 2HG2 THR 51 2HG2 THR 51 -22.794 -13.363 -8.790 394 3HG2 THR 51 3HG2 THR 51 -23.814 -12.134 -8.044 395 H ARG 52 H ARG 52 -24.299 -11.211 -5.117 396 HA ARG 52 HA ARG 52 -25.355 -9.484 -7.298 397 1HB ARG 52 2HB ARG 52 -26.366 -11.149 -5.085 398 2HB ARG 52 1HB ARG 52 -27.234 -9.625 -5.278 399 1HG ARG 52 2HG ARG 52 -27.775 -10.114 -7.557 400 2HG ARG 52 1HG ARG 52 -26.656 -11.476 -7.600 401 1HD ARG 52 2HD ARG 52 -28.509 -11.860 -5.423 402 2HD ARG 52 1HD ARG 52 -29.409 -11.559 -6.924 403 HE ARG 52 HE ARG 52 -27.351 -13.700 -6.584 404 1HH1 ARG 52 1HH1 ARG 52 -29.937 -12.153 -8.260 405 1HH2 ARG 52 1HH2 ARG 52 -27.629 -15.404 -8.043 406 2HH2 ARG 52 2HH2 ARG 52 -28.854 -15.292 -9.262 407 H ILE 53 H ILE 53 -25.236 -9.315 -3.724 408 HA ILE 53 HA ILE 53 -25.731 -6.609 -3.331 409 HB ILE 53 HB ILE 53 -23.744 -8.464 -1.981 410 1HG1 ILE 53 2HG1 ILE 53 -25.868 -9.416 -1.711 411 2HG1 ILE 53 1HG1 ILE 53 -25.739 -8.398 -0.277 412 1HG2 ILE 53 1HG2 ILE 53 -23.048 -6.557 -0.952 413 2HG2 ILE 53 2HG2 ILE 53 -24.568 -6.686 -0.067 414 3HG2 ILE 53 3HG2 ILE 53 -24.461 -5.644 -1.485 415 1HD1 ILE 53 1HD1 ILE 53 -26.733 -6.680 -2.238 416 2HD1 ILE 53 2HD1 ILE 53 -27.665 -7.424 -0.938 417 3HD1 ILE 53 3HD1 ILE 53 -27.588 -8.196 -2.522 418 H LEU 54 H LEU 54 -22.560 -8.100 -4.087 419 HA LEU 54 HA LEU 54 -21.093 -5.609 -4.140 420 1HB LEU 54 2HB LEU 54 -20.600 -8.353 -4.307 421 2HB LEU 54 1HB LEU 54 -20.126 -7.744 -5.893 422 HG LEU 54 HG LEU 54 -19.133 -6.777 -3.198 423 1HD1 LEU 54 1HD1 LEU 54 -17.761 -8.560 -3.670 424 2HD1 LEU 54 2HD1 LEU 54 -16.938 -7.343 -4.647 425 3HD1 LEU 54 3HD1 LEU 54 -18.063 -8.468 -5.405 426 1HD2 LEU 54 1HD2 LEU 54 -19.329 -5.423 -5.772 427 2HD2 LEU 54 2HD2 LEU 54 -17.652 -5.568 -5.244 428 3HD2 LEU 54 3HD2 LEU 54 -18.839 -4.776 -4.207 429 H GLU 55 H GLU 55 -22.184 -7.730 -6.792 430 HA GLU 55 HA GLU 55 -21.627 -6.050 -8.977 431 1HB GLU 55 2HB GLU 55 -22.487 -7.910 -9.922 432 2HB GLU 55 1HB GLU 55 -23.151 -8.408 -8.365 433 1HG GLU 55 2HG GLU 55 -25.144 -7.031 -8.749 434 2HG GLU 55 1HG GLU 55 -24.477 -6.469 -10.284 435 H LYS 56 H LYS 56 -24.599 -6.160 -6.982 436 HA LYS 56 HA LYS 56 -25.922 -4.016 -8.424 437 1HB LYS 56 2HB LYS 56 -27.297 -5.516 -7.221 438 2HB LYS 56 1HB LYS 56 -26.261 -5.460 -5.795 439 1HG LYS 56 2HG LYS 56 -28.332 -4.172 -5.424 440 2HG LYS 56 1HG LYS 56 -26.922 -3.113 -5.405 441 1HD LYS 56 2HD LYS 56 -27.452 -2.914 -7.998 442 2HD LYS 56 1HD LYS 56 -29.074 -3.367 -7.471 443 1HE LYS 56 2HE LYS 56 -27.530 -0.870 -6.910 444 2HE LYS 56 1HE LYS 56 -29.277 -1.092 -7.137 445 1HZ LYS 56 1HZ LYS 56 -29.585 -1.579 -4.984 446 2HZ LYS 56 2HZ LYS 56 -28.085 -0.820 -4.735 447 H GLU 57 H GLU 57 -23.939 -4.214 -5.482 448 HA GLU 57 HA GLU 57 -24.219 -1.387 -4.822 449 1HB GLU 57 2HB GLU 57 -23.747 -3.114 -3.145 450 2HB GLU 57 1HB GLU 57 -22.265 -3.562 -3.992 451 1HG GLU 57 2HG GLU 57 -21.327 -2.120 -2.475 452 2HG GLU 57 1HG GLU 57 -21.806 -0.921 -3.677 453 H VAL 58 H VAL 58 -21.641 -3.400 -6.276 454 HA VAL 58 HA VAL 58 -20.022 -1.029 -6.923 455 HB VAL 58 HB VAL 58 -19.471 -3.600 -6.294 456 1HG1 VAL 58 1HG1 VAL 58 -20.408 -4.575 -8.292 457 2HG1 VAL 58 2HG1 VAL 58 -18.653 -4.676 -8.432 458 3HG1 VAL 58 3HG1 VAL 58 -19.538 -3.436 -9.320 459 1HG2 VAL 58 1HG2 VAL 58 -18.039 -1.398 -7.626 460 2HG2 VAL 58 2HG2 VAL 58 -17.314 -2.983 -7.898 461 3HG2 VAL 58 3HG2 VAL 58 -17.547 -2.390 -6.253 462 H LEU 59 H LEU 59 -21.747 -3.585 -8.772 463 HA LEU 59 HA LEU 59 -21.251 -2.858 -11.388 464 1HB LEU 59 2HB LEU 59 -22.795 -4.652 -10.536 465 2HB LEU 59 1HB LEU 59 -24.001 -3.401 -10.222 466 HG LEU 59 HG LEU 59 -24.278 -4.570 -12.445 467 1HD1 LEU 59 1HD1 LEU 59 -23.926 -2.054 -13.596 468 2HD1 LEU 59 2HD1 LEU 59 -24.162 -1.706 -11.883 469 3HD1 LEU 59 3HD1 LEU 59 -25.378 -2.622 -12.772 470 1HD2 LEU 59 1HD2 LEU 59 -22.387 -4.891 -13.642 471 2HD2 LEU 59 2HD2 LEU 59 -21.480 -3.790 -12.605 472 3HD2 LEU 59 3HD2 LEU 59 -22.392 -3.160 -13.976 473 H LYS 60 H LYS 60 -23.634 -1.288 -9.228 474 HA LYS 60 HA LYS 60 -24.394 0.752 -11.145 475 1HB LYS 60 2HB LYS 60 -25.987 0.723 -9.517 476 2HB LYS 60 1HB LYS 60 -24.891 -0.036 -8.361 477 1HG LYS 60 2HG LYS 60 -24.255 1.959 -7.452 478 2HG LYS 60 1HG LYS 60 -24.294 2.792 -9.007 479 1HD LYS 60 2HD LYS 60 -26.229 3.729 -8.316 480 2HD LYS 60 1HD LYS 60 -26.961 2.140 -8.537 481 1HE LYS 60 2HE LYS 60 -25.571 2.963 -5.967 482 2HE LYS 60 1HE LYS 60 -27.320 3.131 -6.227 483 1HZ LYS 60 1HZ LYS 60 -26.400 0.596 -7.111 484 2HZ LYS 60 2HZ LYS 60 -25.978 0.833 -5.483 485 H GLU 61 H GLU 61 -21.644 0.183 -9.269 486 HA GLU 61 HA GLU 61 -20.799 3.060 -9.368 487 1HB GLU 61 2HB GLU 61 -20.957 1.429 -7.230 488 2HB GLU 61 1HB GLU 61 -19.339 0.995 -7.782 489 1HG GLU 61 2HG GLU 61 -19.690 3.027 -6.117 490 2HG GLU 61 1HG GLU 61 -18.489 3.121 -7.405 491 H THR 62 H THR 62 -18.040 2.614 -9.143 492 HA THR 62 HA THR 62 -17.399 1.688 -11.872 493 HB THR 62 HB THR 62 -15.081 2.534 -10.979 494 HG1 THR 62 1HG THR 62 -16.895 3.553 -9.053 495 1HG2 THR 62 1HG2 THR 62 -17.324 3.785 -12.139 496 2HG2 THR 62 2HG2 THR 62 -15.656 4.358 -12.158 497 3HG2 THR 62 3HG2 THR 62 -16.755 4.885 -10.884 498 H HIS 63 H HIS 63 -18.214 -0.515 -10.452 499 HA HIS 63 HA HIS 63 -16.196 -1.877 -8.937 500 1HB HIS 63 2HB HIS 63 -17.633 -3.872 -9.576 501 2HB HIS 63 1HB HIS 63 -18.522 -2.522 -8.870 502 HD1 HIS 63 1HD HIS 63 -18.549 -4.714 -11.735 503 HD2 HIS 63 2HD HIS 63 -19.633 -0.745 -11.061 504 HE1 HIS 63 1HE HIS 63 -20.064 -4.050 -13.653 505 H GLU 64 H GLU 64 -14.235 -2.535 -9.718 506 HA GLU 64 HA GLU 64 -14.051 -3.335 -12.605 507 1HB GLU 64 2HB GLU 64 -12.176 -1.977 -10.662 508 2HB GLU 64 1HB GLU 64 -11.575 -2.718 -12.146 509 1HG GLU 64 2HG GLU 64 -13.147 -0.245 -11.781 510 2HG GLU 64 1HG GLU 64 -12.038 -0.693 -13.077 511 H LYS 65 H LYS 65 -13.443 -5.443 -12.975 512 HA LYS 65 HA LYS 65 -12.765 -7.147 -10.641 513 1HB LYS 65 2HB LYS 65 -13.194 -8.956 -12.296 514 2HB LYS 65 1HB LYS 65 -14.532 -7.808 -12.226 515 1HG LYS 65 2HG LYS 65 -12.691 -6.791 -14.127 516 2HG LYS 65 1HG LYS 65 -12.888 -8.508 -14.481 517 1HD LYS 65 2HD LYS 65 -15.465 -7.878 -14.048 518 2HD LYS 65 1HD LYS 65 -14.890 -6.305 -14.603 519 1HE LYS 65 2HE LYS 65 -14.047 -7.279 -16.671 520 2HE LYS 65 1HE LYS 65 -14.448 -8.912 -16.103 521 1HZ LYS 65 1HZ LYS 65 -16.510 -6.809 -16.112 522 2HZ LYS 65 2HZ LYS 65 -16.155 -7.637 -17.552 523 H VAL 66 H VAL 66 -10.643 -7.609 -10.216 524 HA VAL 66 HA VAL 66 -8.568 -6.947 -12.213 525 HB VAL 66 HB VAL 66 -8.165 -6.236 -9.975 526 1HG1 VAL 66 1HG1 VAL 66 -9.478 -8.793 -9.357 527 2HG1 VAL 66 2HG1 VAL 66 -9.430 -7.300 -8.420 528 3HG1 VAL 66 3HG1 VAL 66 -8.094 -8.446 -8.322 529 1HG2 VAL 66 1HG2 VAL 66 -6.547 -8.622 -9.575 530 2HG2 VAL 66 2HG2 VAL 66 -6.031 -6.977 -9.950 531 3HG2 VAL 66 3HG2 VAL 66 -6.480 -8.079 -11.251 532 H GLN 67 H GLN 67 -7.614 -8.486 -13.494 533 HA GLN 67 HA GLN 67 -7.641 -11.333 -12.603 534 1HB GLN 67 2HB GLN 67 -8.272 -11.700 -15.162 535 2HB GLN 67 1HB GLN 67 -9.527 -11.378 -13.967 536 1HG GLN 67 2HG GLN 67 -8.423 -8.884 -14.899 537 2HG GLN 67 1HG GLN 67 -8.933 -9.859 -16.278 538 1HE2 GLN 67 1HE2 GLN 67 -10.156 -8.822 -13.044 539 2HE2 GLN 67 2HE2 GLN 67 -11.777 -8.711 -13.533 540 H GLY 68 H GLY 68 -5.857 -12.522 -13.416 541 1HA GLY 68 2HA GLY 68 -3.951 -12.873 -14.849 542 2HA GLY 68 1HA GLY 68 -4.057 -11.188 -15.358 543 H GLY 69 H GLY 69 -4.400 -11.557 -11.993 544 1HA GLY 69 2HA GLY 69 -2.791 -11.458 -10.229 545 2HA GLY 69 1HA GLY 69 -1.508 -11.400 -11.436 546 H PHE 70 H PHE 70 -3.812 -9.215 -12.394 547 HA PHE 70 HA PHE 70 -2.232 -6.963 -11.239 548 1HB PHE 70 2HB PHE 70 -4.331 -6.800 -13.398 549 2HB PHE 70 1HB PHE 70 -2.904 -5.789 -13.172 550 HD1 PHE 70 1HD PHE 70 -3.416 -6.946 -15.817 551 HD2 PHE 70 2HD PHE 70 -1.424 -8.647 -12.413 552 HE1 PHE 70 1HE PHE 70 -2.120 -8.435 -17.319 553 HE2 PHE 70 2HE PHE 70 -0.129 -10.136 -13.914 554 HZ PHE 70 HZ PHE 70 -0.478 -10.031 -16.368 555 H GLY 71 H GLY 71 -3.260 -6.811 -9.152 556 1HA GLY 71 2HA GLY 71 -4.845 -5.692 -7.780 557 2HA GLY 71 1HA GLY 71 -5.844 -5.423 -9.209 558 H LYS 72 H LYS 72 -4.655 -8.630 -8.547 559 HA LYS 72 HA LYS 72 -7.341 -9.718 -8.488 560 1HB LYS 72 2HB LYS 72 -5.871 -11.277 -9.300 561 2HB LYS 72 1HB LYS 72 -4.522 -10.628 -8.368 562 1HG LYS 72 2HG LYS 72 -6.772 -12.070 -6.980 563 2HG LYS 72 1HG LYS 72 -5.459 -12.978 -7.730 564 1HD LYS 72 2HD LYS 72 -4.848 -10.688 -5.874 565 2HD LYS 72 1HD LYS 72 -5.225 -12.284 -5.224 566 1HE LYS 72 2HE LYS 72 -3.282 -12.347 -7.443 567 2HE LYS 72 1HE LYS 72 -2.705 -11.499 -5.994 568 1HZ LYS 72 1HZ LYS 72 -2.309 -13.867 -5.781 569 2HZ LYS 72 2HZ LYS 72 -3.479 -13.372 -4.652 570 H TYR 73 H TYR 73 -5.560 -8.104 -6.170 571 HA TYR 73 HA TYR 73 -6.540 -9.674 -3.855 572 1HB TYR 73 2HB TYR 73 -4.439 -7.787 -4.479 573 2HB TYR 73 1HB TYR 73 -5.367 -7.201 -3.098 574 HD1 TYR 73 1HD TYR 73 -2.598 -7.947 -2.630 575 HD2 TYR 73 2HD TYR 73 -6.100 -10.432 -2.758 576 HE1 TYR 73 1HE TYR 73 -1.474 -9.606 -1.169 577 HE2 TYR 73 2HE TYR 73 -4.975 -12.091 -1.296 578 HH TYR 73 HH TYR 73 -2.462 -11.503 0.555 579 H GLN 74 H GLN 74 -7.278 -6.826 -5.739 580 HA GLN 74 HA GLN 74 -9.234 -5.825 -3.740 581 1HB GLN 74 2HB GLN 74 -9.167 -4.493 -6.323 582 2HB GLN 74 1HB GLN 74 -8.738 -3.854 -4.736 583 1HG GLN 74 2HG GLN 74 -6.584 -3.882 -5.394 584 2HG GLN 74 1HG GLN 74 -6.672 -5.644 -5.389 585 1HE2 GLN 74 1HE2 GLN 74 -8.775 -5.474 -7.635 586 2HE2 GLN 74 2HE2 GLN 74 -7.858 -5.187 -9.034 587 H GLY 75 H GLY 75 -9.158 -7.019 -7.115 588 1HA GLY 75 2HA GLY 75 -10.833 -8.159 -8.318 589 2HA GLY 75 1HA GLY 75 -11.760 -8.272 -6.820 590 H THR 76 H THR 76 -13.197 -6.561 -6.273 591 HA THR 76 HA THR 76 -13.799 -4.703 -8.553 592 HB THR 76 HB THR 76 -16.073 -4.822 -7.056 593 HG1 THR 76 1HG THR 76 -14.690 -7.278 -6.761 594 1HG2 THR 76 1HG2 THR 76 -16.628 -6.836 -8.640 595 2HG2 THR 76 2HG2 THR 76 -15.029 -6.510 -9.310 596 3HG2 THR 76 3HG2 THR 76 -16.270 -5.257 -9.341 597 H TRP 77 H TRP 77 -12.632 -2.857 -7.869 598 HA TRP 77 HA TRP 77 -12.840 -1.943 -5.071 599 1HB TRP 77 2HB TRP 77 -11.605 -0.053 -6.831 600 2HB TRP 77 1HB TRP 77 -10.829 -1.102 -5.645 601 HD1 TRP 77 HD TRP 77 -10.249 -3.640 -6.511 602 HE1 TRP 77 1HE TRP 77 -9.478 -4.426 -8.845 603 HE3 TRP 77 3HE TRP 77 -11.711 0.365 -9.316 604 HZ2 TRP 77 2HZ TRP 77 -9.482 -3.478 -11.544 605 HZ3 TRP 77 3HZ TRP 77 -11.316 0.400 -11.762 606 HH2 TRP 77 HH TRP 77 -10.204 -1.514 -12.879 607 H VAL 78 H VAL 78 -13.554 0.288 -4.609 608 HA VAL 78 HA VAL 78 -15.476 1.423 -6.600 609 HB VAL 78 HB VAL 78 -16.634 1.761 -4.073 610 1HG1 VAL 78 1HG1 VAL 78 -18.027 1.302 -5.913 611 2HG1 VAL 78 2HG1 VAL 78 -18.130 -0.180 -4.964 612 3HG1 VAL 78 3HG1 VAL 78 -17.091 -0.115 -6.387 613 1HG2 VAL 78 1HG2 VAL 78 -15.158 -0.847 -4.310 614 2HG2 VAL 78 2HG2 VAL 78 -16.709 -0.805 -3.471 615 3HG2 VAL 78 3HG2 VAL 78 -15.368 0.188 -2.897 616 HA PRO 79 HA PRO 79 -13.772 5.346 -5.680 617 1HB PRO 79 2HB PRO 79 -16.520 6.286 -5.012 618 2HB PRO 79 1HB PRO 79 -15.367 6.930 -6.196 619 1HG PRO 79 2HG PRO 79 -17.522 5.493 -6.914 620 2HG PRO 79 1HG PRO 79 -16.004 5.464 -7.821 621 1HD PRO 79 2HD PRO 79 -17.191 3.393 -6.084 622 2HD PRO 79 1HD PRO 79 -16.047 3.226 -7.433 623 H LEU 80 H LEU 80 -12.650 5.186 -3.722 624 HA LEU 80 HA LEU 80 -13.593 4.434 -1.204 625 1HB LEU 80 2HB LEU 80 -11.361 4.767 -1.000 626 2HB LEU 80 1HB LEU 80 -11.346 5.867 -2.381 627 HG LEU 80 HG LEU 80 -12.342 6.705 0.349 628 1HD1 LEU 80 1HD1 LEU 80 -10.176 6.508 1.008 629 2HD1 LEU 80 2HD1 LEU 80 -9.911 7.941 0.013 630 3HD1 LEU 80 3HD1 LEU 80 -9.594 6.336 -0.648 631 1HD2 LEU 80 1HD2 LEU 80 -11.266 8.861 -1.055 632 2HD2 LEU 80 2HD2 LEU 80 -12.981 8.489 -0.887 633 3HD2 LEU 80 3HD2 LEU 80 -12.089 7.918 -2.298 634 H ASN 81 H ASN 81 -13.915 7.552 -2.836 635 HA ASN 81 HA ASN 81 -14.742 9.147 -0.614 636 1HB ASN 81 2HB ASN 81 -14.944 9.159 -3.586 637 2HB ASN 81 1HB ASN 81 -16.054 10.222 -2.720 638 1HD2 ASN 81 1HD2 ASN 81 -13.728 10.193 -0.531 639 2HD2 ASN 81 2HD2 ASN 81 -12.696 11.413 -1.104 640 H ILE 82 H ILE 82 -16.405 6.752 -2.554 641 HA ILE 82 HA ILE 82 -18.965 7.355 -1.110 642 HB ILE 82 HB ILE 82 -18.356 7.107 -3.818 643 1HG1 ILE 82 2HG1 ILE 82 -21.052 6.586 -2.530 644 2HG1 ILE 82 1HG1 ILE 82 -20.340 8.191 -2.695 645 1HG2 ILE 82 1HG2 ILE 82 -19.595 5.033 -4.480 646 2HG2 ILE 82 2HG2 ILE 82 -19.633 4.558 -2.783 647 3HG2 ILE 82 3HG2 ILE 82 -18.090 4.694 -3.626 648 1HD1 ILE 82 1HD1 ILE 82 -21.507 6.413 -4.773 649 2HD1 ILE 82 2HD1 ILE 82 -20.072 7.327 -5.239 650 3HD1 ILE 82 3HD1 ILE 82 -21.509 8.173 -4.667 651 H ALA 83 H ALA 83 -16.600 4.882 -1.969 652 HA ALA 83 HA ALA 83 -18.005 2.586 -0.990 653 1HB ALA 83 1HB ALA 83 -15.686 3.106 -2.313 654 2HB ALA 83 2HB ALA 83 -16.039 1.551 -1.561 655 3HB ALA 83 3HB ALA 83 -15.054 2.740 -0.709 656 H LYS 84 H LYS 84 -15.356 4.451 0.599 657 HA LYS 84 HA LYS 84 -15.641 3.199 3.147 658 1HB LYS 84 2HB LYS 84 -13.985 4.705 3.733 659 2HB LYS 84 1HB LYS 84 -13.870 4.837 1.978 660 1HG LYS 84 2HG LYS 84 -15.840 6.641 2.459 661 2HG LYS 84 1HG LYS 84 -14.916 6.784 3.955 662 1HD LYS 84 2HD LYS 84 -13.779 7.015 1.152 663 2HD LYS 84 1HD LYS 84 -14.075 8.360 2.256 664 1HE LYS 84 2HE LYS 84 -12.512 7.245 3.907 665 2HE LYS 84 1HE LYS 84 -12.094 6.089 2.626 666 1HZ LYS 84 1HZ LYS 84 -12.120 8.754 1.640 667 2HZ LYS 84 2HZ LYS 84 -11.049 8.620 2.952 668 H GLN 85 H GLN 85 -17.277 5.981 1.684 669 HA GLN 85 HA GLN 85 -18.503 6.943 4.118 670 1HB GLN 85 2HB GLN 85 -18.182 8.272 2.060 671 2HB GLN 85 1HB GLN 85 -19.286 7.201 1.198 672 1HG GLN 85 2HG GLN 85 -20.989 7.801 3.061 673 2HG GLN 85 1HG GLN 85 -19.910 9.154 3.406 674 1HE2 GLN 85 1HE2 GLN 85 -19.262 8.957 0.299 675 2HE2 GLN 85 2HE2 GLN 85 -20.525 9.861 -0.386 676 H LEU 86 H LEU 86 -19.239 4.384 1.868 677 HA LEU 86 HA LEU 86 -22.024 4.076 2.776 678 1HB LEU 86 2HB LEU 86 -20.954 3.609 0.453 679 2HB LEU 86 1HB LEU 86 -20.388 2.111 1.191 680 HG LEU 86 HG LEU 86 -22.888 1.866 1.954 681 1HD1 LEU 86 1HD1 LEU 86 -23.436 3.335 -0.596 682 2HD1 LEU 86 2HD1 LEU 86 -23.218 4.277 0.881 683 3HD1 LEU 86 3HD1 LEU 86 -24.494 3.063 0.789 684 1HD2 LEU 86 1HD2 LEU 86 -21.479 1.202 -0.544 685 2HD2 LEU 86 2HD2 LEU 86 -23.236 1.158 -0.689 686 3HD2 LEU 86 3HD2 LEU 86 -22.425 0.164 0.521 687 H ALA 87 H ALA 87 -18.947 2.296 3.065 688 HA ALA 87 HA ALA 87 -20.113 0.420 5.017 689 1HB ALA 87 1HB ALA 87 -17.334 0.108 4.887 690 2HB ALA 87 2HB ALA 87 -17.787 0.666 3.276 691 3HB ALA 87 3HB ALA 87 -18.526 -0.788 3.945 692 H GLU 88 H GLU 88 -17.252 2.611 5.076 693 HA GLU 88 HA GLU 88 -16.471 2.617 7.651 694 1HB GLU 88 2HB GLU 88 -15.496 4.565 7.036 695 2HB GLU 88 1HB GLU 88 -16.286 4.294 5.488 696 1HG GLU 88 2HG GLU 88 -18.296 5.528 6.384 697 2HG GLU 88 1HG GLU 88 -17.333 5.942 7.803 698 H LYS 89 H LYS 89 -19.638 3.653 6.573 699 HA LYS 89 HA LYS 89 -20.384 5.139 8.935 700 1HB LYS 89 2HB LYS 89 -21.533 5.329 6.778 701 2HB LYS 89 1HB LYS 89 -21.966 3.619 6.833 702 1HG LYS 89 2HG LYS 89 -23.723 4.004 8.202 703 2HG LYS 89 1HG LYS 89 -22.775 5.063 9.247 704 1HD LYS 89 2HD LYS 89 -23.525 6.936 8.216 705 2HD LYS 89 1HD LYS 89 -23.339 6.229 6.612 706 1HE LYS 89 2HE LYS 89 -25.608 5.489 8.489 707 2HE LYS 89 1HE LYS 89 -25.744 6.731 7.228 708 1HZ LYS 89 1HZ LYS 89 -24.677 4.879 5.766 709 2HZ LYS 89 2HZ LYS 89 -25.320 3.834 6.941 710 H PHE 90 H PHE 90 -22.461 2.497 8.195 711 HA PHE 90 HA PHE 90 -21.855 1.271 10.864 712 1HB PHE 90 2HB PHE 90 -24.113 1.197 11.143 713 2HB PHE 90 1HB PHE 90 -24.180 2.318 9.783 714 HD1 PHE 90 1HD PHE 90 -26.190 0.045 10.677 715 HD2 PHE 90 2HD PHE 90 -23.112 0.314 7.693 716 HE1 PHE 90 1HE PHE 90 -27.358 -1.671 9.319 717 HE2 PHE 90 2HE PHE 90 -24.279 -1.402 6.335 718 HZ PHE 90 HZ PHE 90 -26.402 -2.395 7.148 719 H SER 91 H SER 91 -21.362 0.785 7.598 720 HA SER 91 HA SER 91 -22.051 -1.961 7.221 721 1HB SER 91 2HB SER 91 -21.352 -0.044 5.597 722 2HB SER 91 1HB SER 91 -19.709 -0.580 5.934 723 HG SER 91 HG SER 91 -20.218 -2.585 5.136 724 H VAL 92 H VAL 92 -18.657 -1.184 6.883 725 HA VAL 92 HA VAL 92 -17.998 -3.223 8.978 726 HB VAL 92 HB VAL 92 -17.623 -3.258 6.191 727 1HG1 VAL 92 1HG1 VAL 92 -15.109 -2.516 7.696 728 2HG1 VAL 92 2HG1 VAL 92 -15.757 -1.784 6.228 729 3HG1 VAL 92 3HG1 VAL 92 -15.055 -3.400 6.172 730 1HG2 VAL 92 1HG2 VAL 92 -17.379 -4.963 8.396 731 2HG2 VAL 92 2HG2 VAL 92 -15.782 -4.988 7.648 732 3HG2 VAL 92 3HG2 VAL 92 -17.206 -5.421 6.702 733 H TYR 93 H TYR 93 -18.034 -0.062 8.645 734 HA TYR 93 HA TYR 93 -15.684 1.264 8.662 735 1HB TYR 93 2HB TYR 93 -16.680 2.734 10.171 736 2HB TYR 93 1HB TYR 93 -18.084 1.784 9.685 737 HD1 TYR 93 1HD TYR 93 -15.263 1.624 12.162 738 HD2 TYR 93 2HD TYR 93 -19.419 0.886 11.367 739 HE1 TYR 93 1HE TYR 93 -15.581 0.887 14.508 740 HE2 TYR 93 2HE TYR 93 -19.738 0.149 13.713 741 HH TYR 93 HH TYR 93 -18.711 0.383 15.866 742 H ASP 94 H ASP 94 -16.667 -0.400 11.692 743 HA ASP 94 HA ASP 94 -14.267 -0.286 13.080 744 1HB ASP 94 2HB ASP 94 -15.704 -1.402 14.420 745 2HB ASP 94 1HB ASP 94 -16.697 -1.864 13.037 746 H GLN 95 H GLN 95 -15.229 -3.095 11.056 747 HA GLN 95 HA GLN 95 -12.899 -4.587 11.101 748 1HB GLN 95 2HB GLN 95 -15.224 -4.278 9.477 749 2HB GLN 95 1HB GLN 95 -13.839 -4.434 8.396 750 1HG GLN 95 2HG GLN 95 -14.330 -6.671 8.758 751 2HG GLN 95 1HG GLN 95 -13.175 -6.386 10.060 752 1HE2 GLN 95 1HE2 GLN 95 -15.381 -4.639 11.401 753 2HE2 GLN 95 2HE2 GLN 95 -16.387 -5.786 12.147 754 H LEU 96 H LEU 96 -13.553 -2.081 8.612 755 HA LEU 96 HA LEU 96 -10.796 -2.059 7.692 756 1HB LEU 96 2HB LEU 96 -12.839 0.119 7.271 757 2HB LEU 96 1HB LEU 96 -11.623 -0.480 6.143 758 HG LEU 96 HG LEU 96 -14.320 -1.529 6.735 759 1HD1 LEU 96 1HD1 LEU 96 -12.492 -2.113 4.401 760 2HD1 LEU 96 2HD1 LEU 96 -13.366 -0.587 4.536 761 3HD1 LEU 96 3HD1 LEU 96 -14.255 -2.107 4.431 762 1HD2 LEU 96 1HD2 LEU 96 -12.113 -3.137 7.428 763 2HD2 LEU 96 2HD2 LEU 96 -12.639 -3.720 5.848 764 3HD2 LEU 96 3HD2 LEU 96 -13.778 -3.671 7.194 765 H LYS 97 H LYS 97 -10.922 -1.613 10.531 766 HA LYS 97 HA LYS 97 -10.803 1.144 11.284 767 1HB LYS 97 2HB LYS 97 -10.322 -1.490 12.371 768 2HB LYS 97 1HB LYS 97 -9.050 -0.386 12.898 769 1HG LYS 97 2HG LYS 97 -11.737 0.797 12.998 770 2HG LYS 97 1HG LYS 97 -11.544 -0.597 14.062 771 1HD LYS 97 2HD LYS 97 -9.936 0.435 15.358 772 2HD LYS 97 1HD LYS 97 -9.356 1.436 14.026 773 1HE LYS 97 2HE LYS 97 -11.343 2.860 14.175 774 2HE LYS 97 1HE LYS 97 -12.017 1.821 15.448 775 1HZ LYS 97 1HZ LYS 97 -9.316 2.529 15.999 776 2HZ LYS 97 2HZ LYS 97 -10.272 3.920 15.810 777 HA PRO 98 HA PRO 98 -5.979 0.511 10.758 778 1HB PRO 98 2HB PRO 98 -6.021 -1.536 8.607 779 2HB PRO 98 1HB PRO 98 -4.963 -1.418 10.027 780 1HG PRO 98 2HG PRO 98 -6.926 -3.238 9.847 781 2HG PRO 98 1HG PRO 98 -6.437 -2.512 11.385 782 1HD PRO 98 2HD PRO 98 -8.859 -2.006 9.749 783 2HD PRO 98 1HD PRO 98 -8.635 -1.911 11.510 784 H LEU 99 H LEU 99 -7.631 -0.452 7.718 785 HA LEU 99 HA LEU 99 -6.288 1.372 6.009 786 1HB LEU 99 2HB LEU 99 -7.496 -0.322 4.954 787 2HB LEU 99 1HB LEU 99 -8.888 -0.128 6.022 788 HG LEU 99 HG LEU 99 -9.415 2.030 4.948 789 1HD1 LEU 99 1HD1 LEU 99 -6.759 1.938 4.133 790 2HD1 LEU 99 2HD1 LEU 99 -7.965 3.100 3.579 791 3HD1 LEU 99 3HD1 LEU 99 -7.654 1.637 2.644 792 1HD2 LEU 99 1HD2 LEU 99 -9.704 0.971 2.524 793 2HD2 LEU 99 2HD2 LEU 99 -10.637 0.363 3.891 794 3HD2 LEU 99 3HD2 LEU 99 -9.195 -0.499 3.357 795 H PHE 100 H PHE 100 -9.021 1.833 8.180 796 HA PHE 100 HA PHE 100 -9.890 4.372 7.071 797 1HB PHE 100 2HB PHE 100 -10.430 2.600 9.382 798 2HB PHE 100 1HB PHE 100 -10.781 4.307 9.650 799 HD1 PHE 100 1HD PHE 100 -11.014 4.012 6.245 800 HD2 PHE 100 2HD PHE 100 -13.108 2.768 9.784 801 HE1 PHE 100 1HE PHE 100 -13.105 3.788 4.930 802 HE2 PHE 100 2HE PHE 100 -15.199 2.545 8.469 803 HZ PHE 100 HZ PHE 100 -15.198 3.055 6.042 804 H ASP 101 H ASP 101 -7.554 3.381 9.530 805 HA ASP 101 HA ASP 101 -7.132 6.127 10.499 806 1HB ASP 101 2HB ASP 101 -5.319 3.783 11.007 807 2HB ASP 101 1HB ASP 101 -5.816 5.062 12.116 808 H PHE 102 H PHE 102 -5.527 3.816 8.344 809 HA PHE 102 HA PHE 102 -3.458 4.060 7.149 810 1HB PHE 102 2HB PHE 102 -5.093 4.835 5.615 811 2HB PHE 102 1HB PHE 102 -5.355 6.325 6.522 812 HD1 PHE 102 1HD PHE 102 -4.234 8.280 5.887 813 HD2 PHE 102 2HD PHE 102 -2.679 4.465 4.671 814 HE1 PHE 102 1HE PHE 102 -2.512 9.420 4.514 815 HE2 PHE 102 2HE PHE 102 -0.957 5.605 3.298 816 HZ PHE 102 HZ PHE 102 -0.873 8.082 3.220 817 H THR 103 H THR 103 -1.447 5.213 7.013 818 HA THR 103 HA THR 103 -0.888 6.959 9.312 819 HB THR 103 HB THR 103 1.009 6.292 7.071 820 HG1 THR 103 1HG THR 103 0.425 4.523 9.189 821 1HG2 THR 103 1HG2 THR 103 1.264 6.479 10.087 822 2HG2 THR 103 2HG2 THR 103 1.819 7.678 8.919 823 3HG2 THR 103 3HG2 THR 103 2.583 6.090 8.983 824 H GLN 104 H GLN 104 -2.161 8.857 8.673 825 HA GLN 104 HA GLN 104 -1.381 10.252 6.179 826 1HB GLN 104 2HB GLN 104 -3.746 9.957 7.184 827 2HB GLN 104 1HB GLN 104 -3.265 11.193 8.347 828 1HG GLN 104 2HG GLN 104 -3.116 12.856 6.726 829 2HG GLN 104 1HG GLN 104 -2.831 11.702 5.423 830 1HE2 GLN 104 1HE2 GLN 104 -4.780 13.495 4.830 831 2HE2 GLN 104 2HE2 GLN 104 -6.328 12.819 4.990 832 H THR 105 H THR 105 -0.275 12.240 6.168 833 HA THR 105 HA THR 105 1.037 13.003 8.752 834 HB THR 105 HB THR 105 2.597 12.278 7.075 835 HG1 THR 105 1HG THR 105 3.116 14.754 6.362 836 1HG2 THR 105 1HG2 THR 105 2.250 12.497 4.851 837 2HG2 THR 105 2HG2 THR 105 1.909 14.221 4.993 838 3HG2 THR 105 3HG2 THR 105 0.630 13.043 5.287 839 H ASP 106 H ASP 106 1.327 15.345 9.115 840 HA ASP 106 HA ASP 106 -1.010 16.913 8.725 841 1HB ASP 106 2HB ASP 106 1.679 18.194 9.005 842 2HB ASP 106 1HB ASP 106 0.201 18.488 9.921 843 H GLY 107 H GLY 107 0.424 15.757 6.222 844 1HA GLY 107 2HA GLY 107 0.123 16.574 3.971 845 2HA GLY 107 1HA GLY 107 0.106 18.222 4.600 846 H SER 108 H SER 108 2.532 15.945 5.657 847 HA SER 108 HA SER 108 4.647 17.699 4.583 848 1HB SER 108 2HB SER 108 4.404 15.378 6.473 849 2HB SER 108 1HB SER 108 5.992 15.802 5.838 850 HG SER 108 HG SER 108 4.250 17.731 6.950 851 H ALA 109 H ALA 109 6.564 16.571 3.497 852 HA ALA 109 HA ALA 109 6.205 15.590 1.022 853 1HB ALA 109 1HB ALA 109 8.260 14.159 1.448 854 2HB ALA 109 2HB ALA 109 8.077 14.538 3.161 855 3HB ALA 109 3HB ALA 109 8.398 15.829 2.002 856 H SER 110 H SER 110 6.367 13.241 0.181 857 HA SER 110 HA SER 110 4.386 11.559 1.668 858 1HB SER 110 2HB SER 110 3.450 11.883 -0.405 859 2HB SER 110 1HB SER 110 5.007 12.203 -1.166 860 HG SER 110 HG SER 110 4.059 9.664 -0.306 861 HA PRO 111 HA PRO 111 8.167 9.153 2.341 862 1HB PRO 111 2HB PRO 111 6.933 7.481 4.181 863 2HB PRO 111 1HB PRO 111 7.724 9.015 4.589 864 1HG PRO 111 2HG PRO 111 4.842 8.403 4.259 865 2HG PRO 111 1HG PRO 111 5.640 9.535 5.360 866 1HD PRO 111 2HD PRO 111 4.324 10.311 3.108 867 2HD PRO 111 1HD PRO 111 5.684 11.216 3.809 868 HA PRO 112 HA PRO 112 7.345 5.642 -0.152 869 1HB PRO 112 2HB PRO 112 8.666 3.620 1.210 870 2HB PRO 112 1HB PRO 112 9.464 4.812 0.166 871 1HG PRO 112 2HG PRO 112 9.270 4.717 3.124 872 2HG PRO 112 1HG PRO 112 10.589 5.293 2.094 873 1HD PRO 112 2HD PRO 112 8.875 6.951 3.406 874 2HD PRO 112 1HD PRO 112 9.685 7.384 1.883 875 HA PRO 113 HA PRO 113 3.858 3.531 1.469 876 1HB PRO 113 2HB PRO 113 4.010 1.165 0.029 877 2HB PRO 113 1HB PRO 113 3.357 2.687 -0.607 878 1HG PRO 113 2HG PRO 113 6.015 1.443 -1.034 879 2HG PRO 113 1HG PRO 113 5.022 2.401 -2.141 880 1HD PRO 113 2HD PRO 113 7.212 3.386 -0.861 881 2HD PRO 113 1HD PRO 113 5.832 4.392 -1.353 882 H ALA 114 H ALA 114 4.477 0.378 1.082 883 HA ALA 114 HA ALA 114 4.585 -0.524 3.648 884 1HB ALA 114 1HB ALA 114 5.315 -1.457 1.053 885 2HB ALA 114 2HB ALA 114 4.899 -2.424 2.469 886 3HB ALA 114 3HB ALA 114 6.578 -1.973 2.171 887 HA PRO 115 HA PRO 115 8.137 0.906 5.772 888 1HB PRO 115 2HB PRO 115 8.666 -1.880 6.642 889 2HB PRO 115 1HB PRO 115 8.328 -0.441 7.621 890 1HG PRO 115 2HG PRO 115 6.530 -2.409 7.276 891 2HG PRO 115 1HG PRO 115 6.068 -0.714 7.491 892 1HD PRO 115 2HD PRO 115 6.050 -2.374 5.033 893 2HD PRO 115 1HD PRO 115 5.007 -1.010 5.493 894 H LYS 116 H LYS 116 10.213 1.261 5.039 895 HA LYS 116 HA LYS 116 11.286 -0.424 2.886 896 1HB LYS 116 2HB LYS 116 12.404 1.497 2.406 897 2HB LYS 116 1HB LYS 116 11.383 2.240 3.637 898 1HG LYS 116 2HG LYS 116 13.361 1.047 5.148 899 2HG LYS 116 1HG LYS 116 14.247 1.599 3.726 900 1HD LYS 116 2HD LYS 116 13.201 3.858 4.018 901 2HD LYS 116 1HD LYS 116 12.477 3.283 5.520 902 1HE LYS 116 2HE LYS 116 14.857 2.672 6.267 903 2HE LYS 116 1HE LYS 116 15.418 3.646 4.894 904 1HZ LYS 116 1HZ LYS 116 14.524 5.554 5.750 905 2HZ LYS 116 2HZ LYS 116 13.334 4.739 6.647 906 H HIS 117 H HIS 117 13.428 -1.421 3.009 907 HA HIS 117 HA HIS 117 13.913 -2.852 5.475 908 1HB HIS 117 2HB HIS 117 15.993 -3.533 4.118 909 2HB HIS 117 1HB HIS 117 14.427 -3.888 3.388 910 HD1 HIS 117 1HD HIS 117 16.424 -3.700 1.295 911 HD2 HIS 117 2HD HIS 117 14.752 -0.226 2.878 912 HE1 HIS 117 1HE HIS 117 16.792 -1.879 -0.427 913 H HIS 118 H HIS 118 15.779 -2.645 6.864 914 HA HIS 118 HA HIS 118 16.510 -0.096 7.743 915 1HB HIS 118 2HB HIS 118 18.487 -2.357 7.775 916 2HB HIS 118 1HB HIS 118 18.025 -1.266 9.082 917 HD1 HIS 118 1HD HIS 118 16.465 -2.251 10.753 918 HD2 HIS 118 2HD HIS 118 16.139 -4.150 7.056 919 HE1 HIS 118 1HE HIS 118 14.795 -4.131 11.058 920 H HIS 119 H HIS 119 17.621 1.513 6.713 921 HA HIS 119 HA HIS 119 19.379 0.820 4.411 922 1HB HIS 119 2HB HIS 119 19.204 3.336 4.081 923 2HB HIS 119 1HB HIS 119 17.667 2.472 4.011 924 HD1 HIS 119 1HD HIS 119 16.905 5.083 4.707 925 HD2 HIS 119 2HD HIS 119 18.652 2.708 7.655 926 HE1 HIS 119 1HE HIS 119 16.286 6.128 6.930 927 H ALA 120 H ALA 120 21.550 1.681 4.313 928 HA ALA 120 HA ALA 120 23.297 1.386 6.376 929 1HB ALA 120 1HB ALA 120 24.440 2.041 4.518 930 2HB ALA 120 2HB ALA 120 24.271 3.670 5.172 931 3HB ALA 120 3HB ALA 120 23.123 3.078 3.971 932 H SER 121 H SER 121 23.936 2.523 8.228 933 HA SER 121 HA SER 121 22.307 4.946 8.926 934 1HB SER 121 2HB SER 121 22.922 2.431 10.256 935 2HB SER 121 1HB SER 121 23.400 3.805 11.250 936 HG SER 121 HG SER 121 21.321 4.586 11.129 937 H LYS 122 H LYS 122 24.016 6.314 7.885 938 HA LYS 122 HA LYS 122 26.774 6.192 8.591 939 1HB LYS 122 2HB LYS 122 26.537 8.704 7.871 940 2HB LYS 122 1HB LYS 122 26.195 7.438 6.691 941 1HG LYS 122 2HG LYS 122 23.762 7.578 7.419 942 2HG LYS 122 1HG LYS 122 24.201 9.033 8.314 943 1HD LYS 122 2HD LYS 122 25.202 9.041 5.559 944 2HD LYS 122 1HD LYS 122 23.442 8.963 5.654 945 1HE LYS 122 2HE LYS 122 23.530 10.908 7.279 946 2HE LYS 122 1HE LYS 122 25.255 11.060 6.888 947 1HZ LYS 122 1HZ LYS 122 24.769 11.379 4.617 948 2HZ LYS 122 2HZ LYS 122 23.143 10.929 4.812 949 H VAL 123 H VAL 123 27.749 6.686 10.491 950 HA VAL 123 HA VAL 123 26.375 7.607 12.821 951 HB VAL 123 HB VAL 123 28.637 6.344 12.430 952 1HG1 VAL 123 1HG1 VAL 123 30.329 8.489 12.981 953 2HG1 VAL 123 2HG1 VAL 123 29.276 9.100 11.705 954 3HG1 VAL 123 3HG1 VAL 123 30.213 7.628 11.445 955 1HG2 VAL 123 1HG2 VAL 123 27.558 7.881 14.586 956 2HG2 VAL 123 2HG2 VAL 123 29.306 8.112 14.582 957 3HG2 VAL 123 3HG2 VAL 123 28.632 6.485 14.679 958 H ASP 124 H ASP 124 26.397 9.693 13.827 959 HA ASP 124 HA ASP 124 26.149 11.972 12.150 960 1HB ASP 124 2HB ASP 124 26.964 12.658 14.830 961 2HB ASP 124 1HB ASP 124 25.349 12.727 14.123 Start of MODEL 14 1 H SER 2 H SER 2 1.065 -6.711 10.117 2 HA SER 2 HA SER 2 0.343 -5.610 7.786 3 1HB SER 2 2HB SER 2 -1.152 -7.959 8.990 4 2HB SER 2 1HB SER 2 -0.877 -7.663 7.276 5 HG SER 2 HG SER 2 1.377 -7.824 7.722 6 H ASN 3 H ASN 3 -1.158 -4.534 10.405 7 HA ASN 3 HA ASN 3 -3.954 -4.500 9.510 8 1HB ASN 3 2HB ASN 3 -2.419 -4.029 11.871 9 2HB ASN 3 1HB ASN 3 -3.336 -2.561 11.531 10 1HD2 ASN 3 1HD2 ASN 3 -4.493 -5.761 10.535 11 2HD2 ASN 3 2HD2 ASN 3 -5.798 -5.820 11.621 12 H GLN 4 H GLN 4 -1.156 -2.748 8.711 13 HA GLN 4 HA GLN 4 -2.435 -0.143 8.291 14 1HB GLN 4 2HB GLN 4 0.232 -1.391 7.580 15 2HB GLN 4 1HB GLN 4 -0.171 0.289 7.225 16 1HG GLN 4 2HG GLN 4 0.674 0.700 9.296 17 2HG GLN 4 1HG GLN 4 -0.890 0.113 9.860 18 1HE2 GLN 4 1HE2 GLN 4 -0.697 -1.494 11.416 19 2HE2 GLN 4 2HE2 GLN 4 0.581 -2.606 11.522 20 H ILE 5 H ILE 5 -1.773 0.744 5.885 21 HA ILE 5 HA ILE 5 -3.114 -1.132 3.972 22 HB ILE 5 HB ILE 5 -2.797 1.884 3.868 23 1HG1 ILE 5 2HG1 ILE 5 -5.466 0.874 4.444 24 2HG1 ILE 5 1HG1 ILE 5 -4.315 0.391 5.689 25 1HG2 ILE 5 1HG2 ILE 5 -3.808 1.730 1.862 26 2HG2 ILE 5 2HG2 ILE 5 -5.119 0.778 2.558 27 3HG2 ILE 5 3HG2 ILE 5 -3.663 -0.025 1.967 28 1HD1 ILE 5 1HD1 ILE 5 -3.613 2.704 6.002 29 2HD1 ILE 5 2HD1 ILE 5 -5.368 2.610 6.154 30 3HD1 ILE 5 3HD1 ILE 5 -4.643 3.227 4.670 31 H TYR 6 H TYR 6 -1.107 -2.198 3.362 32 HA TYR 6 HA TYR 6 1.318 -0.957 2.622 33 1HB TYR 6 2HB TYR 6 0.277 -3.288 1.066 34 2HB TYR 6 1HB TYR 6 1.839 -3.081 1.860 35 HD1 TYR 6 1HD TYR 6 0.068 -5.549 2.109 36 HD2 TYR 6 2HD TYR 6 0.352 -1.969 4.465 37 HE1 TYR 6 1HE TYR 6 -0.772 -6.786 4.088 38 HE2 TYR 6 2HE TYR 6 -0.487 -3.205 6.444 39 HH TYR 6 HH TYR 6 -1.994 -5.381 6.748 40 H SER 7 H SER 7 2.141 -0.339 0.527 41 HA SER 7 HA SER 7 0.021 0.649 -1.332 42 1HB SER 7 2HB SER 7 1.328 2.479 -0.921 43 2HB SER 7 1HB SER 7 2.691 1.498 -0.389 44 HG SER 7 HG SER 7 1.887 1.629 -3.098 45 H ALA 8 H ALA 8 0.007 -0.027 -3.491 46 HA ALA 8 HA ALA 8 2.259 -1.676 -4.511 47 1HB ALA 8 1HB ALA 8 1.020 -3.632 -4.649 48 2HB ALA 8 2HB ALA 8 -0.513 -2.770 -4.779 49 3HB ALA 8 3HB ALA 8 0.282 -2.925 -3.212 50 H ARG 9 H ARG 9 2.122 -1.959 -6.862 51 HA ARG 9 HA ARG 9 0.056 -0.310 -8.248 52 1HB ARG 9 2HB ARG 9 1.571 1.276 -8.807 53 2HB ARG 9 1HB ARG 9 2.671 0.521 -7.654 54 1HG ARG 9 2HG ARG 9 3.996 -0.215 -9.318 55 2HG ARG 9 1HG ARG 9 2.628 -0.995 -10.114 56 1HD ARG 9 2HD ARG 9 2.058 1.016 -11.305 57 2HD ARG 9 1HD ARG 9 3.186 1.981 -10.333 58 HE ARG 9 HE ARG 9 3.961 0.006 -12.413 59 1HH1 ARG 9 1HH1 ARG 9 4.753 2.256 -9.923 60 1HH2 ARG 9 1HH2 ARG 9 6.121 0.191 -13.055 61 2HH2 ARG 9 2HH2 ARG 9 7.185 1.238 -12.177 62 H TYR 10 H TYR 10 -0.804 -1.689 -9.750 63 HA TYR 10 HA TYR 10 1.068 -3.486 -11.252 64 1HB TYR 10 2HB TYR 10 -1.506 -4.025 -9.797 65 2HB TYR 10 1HB TYR 10 -1.078 -5.018 -11.191 66 HD1 TYR 10 1HD TYR 10 1.821 -5.230 -11.030 67 HD2 TYR 10 2HD TYR 10 -1.097 -5.314 -7.879 68 HE1 TYR 10 1HE TYR 10 3.381 -6.543 -9.618 69 HE2 TYR 10 2HE TYR 10 0.462 -6.626 -6.468 70 HH TYR 10 HH TYR 10 2.447 -7.596 -6.338 71 H SER 11 H SER 11 0.296 -4.010 -13.431 72 HA SER 11 HA SER 11 -0.614 -3.367 -15.518 73 1HB SER 11 2HB SER 11 -2.713 -4.129 -15.078 74 2HB SER 11 1HB SER 11 -2.696 -3.458 -13.449 75 HG SER 11 HG SER 11 -3.570 -1.654 -14.171 76 H GLY 12 H GLY 12 0.944 -1.341 -14.113 77 1HA GLY 12 2HA GLY 12 1.459 0.925 -14.492 78 2HA GLY 12 1HA GLY 12 0.083 1.000 -15.594 79 H VAL 13 H VAL 13 -1.379 -0.254 -13.059 80 HA VAL 13 HA VAL 13 -2.360 2.358 -12.110 81 HB VAL 13 HB VAL 13 -3.226 -0.425 -12.300 82 1HG1 VAL 13 1HG1 VAL 13 -2.992 0.648 -9.660 83 2HG1 VAL 13 2HG1 VAL 13 -3.724 -0.878 -10.154 84 3HG1 VAL 13 3HG1 VAL 13 -4.705 0.586 -10.073 85 1HG2 VAL 13 1HG2 VAL 13 -5.332 0.584 -12.667 86 2HG2 VAL 13 2HG2 VAL 13 -4.191 1.772 -13.296 87 3HG2 VAL 13 3HG2 VAL 13 -4.918 2.003 -11.707 88 H ASP 14 H ASP 14 -2.355 2.966 -9.875 89 HA ASP 14 HA ASP 14 -0.226 1.636 -8.234 90 1HB ASP 14 2HB ASP 14 0.313 3.915 -8.794 91 2HB ASP 14 1HB ASP 14 -1.317 4.461 -8.396 92 H VAL 15 H VAL 15 -1.014 0.535 -6.451 93 HA VAL 15 HA VAL 15 -3.550 1.519 -5.205 94 HB VAL 15 HB VAL 15 -4.245 -0.913 -5.115 95 1HG1 VAL 15 1HG1 VAL 15 -4.250 -0.846 -7.892 96 2HG1 VAL 15 2HG1 VAL 15 -4.098 0.853 -7.445 97 3HG1 VAL 15 3HG1 VAL 15 -5.456 -0.098 -6.844 98 1HG2 VAL 15 1HG2 VAL 15 -1.859 -1.172 -6.974 99 2HG2 VAL 15 2HG2 VAL 15 -3.076 -2.424 -6.730 100 3HG2 VAL 15 3HG2 VAL 15 -2.040 -1.930 -5.392 101 H TYR 16 H TYR 16 -3.918 0.272 -3.071 102 HA TYR 16 HA TYR 16 -1.294 -0.022 -1.651 103 1HB TYR 16 2HB TYR 16 -3.869 0.413 -0.210 104 2HB TYR 16 1HB TYR 16 -2.280 1.110 0.104 105 HD1 TYR 16 1HD TYR 16 -1.565 2.212 -2.541 106 HD2 TYR 16 2HD TYR 16 -5.309 2.266 -0.436 107 HE1 TYR 16 1HE TYR 16 -2.222 4.268 -3.763 108 HE2 TYR 16 2HE TYR 16 -5.966 4.322 -1.658 109 HH TYR 16 HH TYR 16 -5.460 5.628 -3.463 110 H GLU 17 H GLU 17 -1.103 -1.818 -0.167 111 HA GLU 17 HA GLU 17 -3.162 -3.962 -0.586 112 1HB GLU 17 2HB GLU 17 -0.395 -4.664 0.217 113 2HB GLU 17 1HB GLU 17 -1.438 -5.412 -0.995 114 1HG GLU 17 2HG GLU 17 -0.597 -4.136 -2.668 115 2HG GLU 17 1HG GLU 17 -0.637 -2.672 -1.685 116 H PHE 18 H PHE 18 -4.303 -4.259 1.271 117 HA PHE 18 HA PHE 18 -2.824 -4.251 3.875 118 1HB PHE 18 2HB PHE 18 -3.977 -2.106 3.553 119 2HB PHE 18 1HB PHE 18 -5.481 -2.950 3.184 120 HD1 PHE 18 1HD PHE 18 -4.533 -0.950 5.552 121 HD2 PHE 18 2HD PHE 18 -5.326 -5.158 5.215 122 HE1 PHE 18 1HE PHE 18 -5.076 -1.040 7.969 123 HE2 PHE 18 2HE PHE 18 -5.867 -5.249 7.634 124 HZ PHE 18 HZ PHE 18 -5.743 -3.190 9.011 125 H ILE 19 H ILE 19 -3.480 -5.921 5.255 126 HA ILE 19 HA ILE 19 -5.162 -8.034 4.130 127 HB ILE 19 HB ILE 19 -3.819 -7.613 6.820 128 1HG1 ILE 19 2HG1 ILE 19 -1.934 -8.141 5.706 129 2HG1 ILE 19 1HG1 ILE 19 -2.653 -9.692 5.268 130 1HG2 ILE 19 1HG2 ILE 19 -5.694 -9.225 6.949 131 2HG2 ILE 19 2HG2 ILE 19 -4.137 -10.034 7.131 132 3HG2 ILE 19 3HG2 ILE 19 -5.004 -10.125 5.597 133 1HD1 ILE 19 1HD1 ILE 19 -3.516 -8.841 3.228 134 2HD1 ILE 19 2HD1 ILE 19 -1.884 -8.180 3.330 135 3HD1 ILE 19 3HD1 ILE 19 -3.272 -7.167 3.730 136 H HIS 20 H HIS 20 -7.321 -8.344 4.540 137 HA HIS 20 HA HIS 20 -8.564 -7.116 6.941 138 1HB HIS 20 2HB HIS 20 -8.845 -6.246 4.112 139 2HB HIS 20 1HB HIS 20 -10.343 -6.345 5.038 140 HD1 HIS 20 1HD HIS 20 -8.274 -3.802 4.132 141 HD2 HIS 20 2HD HIS 20 -9.353 -5.176 7.918 142 HE1 HIS 20 1HE HIS 20 -7.869 -1.882 5.733 143 H SER 21 H SER 21 -11.190 -7.517 5.364 144 HA SER 21 HA SER 21 -11.828 -10.141 6.319 145 1HB SER 21 2HB SER 21 -13.053 -7.908 4.959 146 2HB SER 21 1HB SER 21 -13.556 -9.409 4.189 147 HG SER 21 HG SER 21 -14.475 -10.059 6.023 148 H THR 22 H THR 22 -10.870 -8.925 3.116 149 HA THR 22 HA THR 22 -10.911 -11.685 2.004 150 HB THR 22 HB THR 22 -11.607 -9.213 1.027 151 HG1 THR 22 1HG THR 22 -10.860 -11.646 -0.141 152 1HG2 THR 22 1HG2 THR 22 -9.947 -8.465 -0.532 153 2HG2 THR 22 2HG2 THR 22 -8.940 -9.881 -0.231 154 3HG2 THR 22 3HG2 THR 22 -9.131 -8.652 1.019 155 H GLY 23 H GLY 23 -8.873 -10.103 3.913 156 1HA GLY 23 2HA GLY 23 -6.605 -10.770 4.354 157 2HA GLY 23 1HA GLY 23 -6.484 -11.364 2.696 158 H SER 24 H SER 24 -5.199 -10.117 1.439 159 HA SER 24 HA SER 24 -4.474 -7.393 2.244 160 1HB SER 24 2HB SER 24 -3.547 -8.033 -0.357 161 2HB SER 24 1HB SER 24 -2.639 -8.120 1.149 162 HG SER 24 HG SER 24 -2.712 -10.198 0.929 163 H ILE 25 H ILE 25 -5.233 -5.505 1.317 164 HA ILE 25 HA ILE 25 -7.305 -5.788 -0.834 165 HB ILE 25 HB ILE 25 -6.958 -3.840 1.466 166 1HG1 ILE 25 2HG1 ILE 25 -8.851 -6.096 0.816 167 2HG1 ILE 25 1HG1 ILE 25 -7.953 -5.803 2.305 168 1HG2 ILE 25 1HG2 ILE 25 -9.156 -2.909 0.646 169 2HG2 ILE 25 2HG2 ILE 25 -8.944 -3.859 -0.824 170 3HG2 ILE 25 3HG2 ILE 25 -7.792 -2.584 -0.425 171 1HD1 ILE 25 1HD1 ILE 25 -9.344 -3.696 2.597 172 2HD1 ILE 25 2HD1 ILE 25 -10.232 -5.210 2.761 173 3HD1 ILE 25 3HD1 ILE 25 -10.352 -4.276 1.270 174 H MET 26 H MET 26 -6.763 -4.813 -2.749 175 HA MET 26 HA MET 26 -4.457 -2.907 -2.752 176 1HB MET 26 2HB MET 26 -5.125 -5.188 -4.234 177 2HB MET 26 1HB MET 26 -5.435 -3.843 -5.332 178 1HG MET 26 2HG MET 26 -3.093 -2.996 -4.403 179 2HG MET 26 1HG MET 26 -2.861 -4.714 -4.080 180 1HE MET 26 1HE MET 26 -3.424 -6.438 -5.484 181 2HE MET 26 2HE MET 26 -1.849 -6.354 -6.269 182 3HE MET 26 3HE MET 26 -3.306 -6.509 -7.247 183 H LYS 27 H LYS 27 -4.943 -0.783 -3.034 184 HA LYS 27 HA LYS 27 -7.645 -0.022 -4.030 185 1HB LYS 27 2HB LYS 27 -6.572 0.787 -1.853 186 2HB LYS 27 1HB LYS 27 -5.460 1.717 -2.857 187 1HG LYS 27 2HG LYS 27 -7.052 3.240 -3.433 188 2HG LYS 27 1HG LYS 27 -8.313 2.014 -3.567 189 1HD LYS 27 2HD LYS 27 -8.076 1.894 -0.949 190 2HD LYS 27 1HD LYS 27 -7.373 3.501 -1.135 191 1HE LYS 27 2HE LYS 27 -9.960 2.895 -2.539 192 2HE LYS 27 1HE LYS 27 -9.984 3.260 -0.803 193 1HZ LYS 27 1HZ LYS 27 -8.746 4.909 -2.945 194 2HZ LYS 27 2HZ LYS 27 -8.594 5.222 -1.282 195 H ARG 28 H ARG 28 -7.894 1.379 -5.830 196 HA ARG 28 HA ARG 28 -5.693 1.329 -7.786 197 1HB ARG 28 2HB ARG 28 -8.522 1.369 -7.772 198 2HB ARG 28 1HB ARG 28 -8.019 2.880 -8.533 199 1HG ARG 28 2HG ARG 28 -6.655 1.693 -10.141 200 2HG ARG 28 1HG ARG 28 -6.933 0.160 -9.311 201 1HD ARG 28 2HD ARG 28 -8.514 0.043 -11.043 202 2HD ARG 28 1HD ARG 28 -9.486 0.758 -9.742 203 HE ARG 28 HE ARG 28 -9.363 2.870 -10.850 204 1HH1 ARG 28 1HH1 ARG 28 -7.320 0.468 -12.244 205 1HH2 ARG 28 1HH2 ARG 28 -8.905 4.106 -12.686 206 2HH2 ARG 28 2HH2 ARG 28 -7.858 3.463 -13.906 207 H LYS 29 H LYS 29 -4.335 3.038 -8.154 208 HA LYS 29 HA LYS 29 -4.336 5.368 -6.464 209 1HB LYS 29 2HB LYS 29 -2.395 4.226 -7.584 210 2HB LYS 29 1HB LYS 29 -2.950 4.910 -9.112 211 1HG LYS 29 2HG LYS 29 -2.713 7.177 -8.218 212 2HG LYS 29 1HG LYS 29 -2.230 6.528 -6.651 213 1HD LYS 29 2HD LYS 29 -0.175 5.722 -7.480 214 2HD LYS 29 1HD LYS 29 -0.719 5.801 -9.156 215 1HE LYS 29 2HE LYS 29 0.290 7.994 -7.389 216 2HE LYS 29 1HE LYS 29 0.514 7.756 -9.133 217 1HZ LYS 29 1HZ LYS 29 -1.102 9.299 -9.286 218 2HZ LYS 29 2HZ LYS 29 -1.677 9.025 -7.711 219 H LYS 30 H LYS 30 -5.346 4.827 -9.835 220 HA LYS 30 HA LYS 30 -5.777 7.385 -10.785 221 1HB LYS 30 2HB LYS 30 -7.812 5.150 -10.976 222 2HB LYS 30 1HB LYS 30 -7.431 6.367 -12.195 223 1HG LYS 30 2HG LYS 30 -5.689 4.073 -11.269 224 2HG LYS 30 1HG LYS 30 -6.325 4.359 -12.890 225 1HD LYS 30 2HD LYS 30 -4.667 6.529 -11.707 226 2HD LYS 30 1HD LYS 30 -3.822 5.056 -12.184 227 1HE LYS 30 2HE LYS 30 -4.284 7.043 -13.938 228 2HE LYS 30 1HE LYS 30 -4.319 5.341 -14.441 229 1HZ LYS 30 1HZ LYS 30 -6.459 5.596 -14.924 230 2HZ LYS 30 2HZ LYS 30 -6.460 7.188 -14.331 231 H ASP 31 H ASP 31 -8.410 5.563 -9.172 232 HA ASP 31 HA ASP 31 -9.449 8.193 -8.160 233 1HB ASP 31 2HB ASP 31 -10.679 6.733 -9.939 234 2HB ASP 31 1HB ASP 31 -11.075 5.689 -8.573 235 H ASP 32 H ASP 32 -7.614 5.923 -6.962 236 HA ASP 32 HA ASP 32 -7.408 4.809 -4.877 237 1HB ASP 32 2HB ASP 32 -9.112 6.866 -3.607 238 2HB ASP 32 1HB ASP 32 -7.426 6.453 -3.290 239 H TRP 33 H TRP 33 -9.272 3.400 -6.158 240 HA TRP 33 HA TRP 33 -11.842 3.431 -4.692 241 1HB TRP 33 2HB TRP 33 -11.240 1.220 -6.545 242 2HB TRP 33 1HB TRP 33 -12.594 2.349 -6.551 243 HD1 TRP 33 HD TRP 33 -8.778 2.650 -7.190 244 HE1 TRP 33 1HE TRP 33 -8.438 4.122 -9.278 245 HE3 TRP 33 3HE TRP 33 -13.643 3.690 -8.334 246 HZ2 TRP 33 2HZ TRP 33 -10.022 5.552 -11.183 247 HZ3 TRP 33 3HZ TRP 33 -14.200 5.107 -10.289 248 HH2 TRP 33 HH TRP 33 -12.397 6.038 -11.714 249 H VAL 34 H VAL 34 -12.614 1.425 -3.625 250 HA VAL 34 HA VAL 34 -10.352 -0.210 -2.521 251 HB VAL 34 HB VAL 34 -12.890 0.029 -1.015 252 1HG1 VAL 34 1HG1 VAL 34 -11.287 -0.885 0.336 253 2HG1 VAL 34 2HG1 VAL 34 -10.877 0.805 0.635 254 3HG1 VAL 34 3HG1 VAL 34 -9.964 -0.127 -0.552 255 1HG2 VAL 34 1HG2 VAL 34 -12.839 2.294 -0.564 256 2HG2 VAL 34 2HG2 VAL 34 -12.238 2.330 -2.222 257 3HG2 VAL 34 3HG2 VAL 34 -11.107 2.422 -0.872 258 H ASN 35 H ASN 35 -10.739 -2.473 -2.352 259 HA ASN 35 HA ASN 35 -12.449 -3.691 -4.280 260 1HB ASN 35 2HB ASN 35 -10.507 -4.819 -3.437 261 2HB ASN 35 1HB ASN 35 -11.055 -4.655 -1.769 262 1HD2 ASN 35 1HD2 ASN 35 -13.691 -5.362 -3.805 263 2HD2 ASN 35 2HD2 ASN 35 -13.766 -7.035 -3.531 264 H ALA 36 H ALA 36 -14.647 -3.103 -4.066 265 HA ALA 36 HA ALA 36 -16.268 -2.632 -1.929 266 1HB ALA 36 1HB ALA 36 -18.026 -3.313 -3.330 267 2HB ALA 36 2HB ALA 36 -17.119 -4.690 -3.956 268 3HB ALA 36 3HB ALA 36 -16.717 -3.056 -4.483 269 H THR 37 H THR 37 -14.777 -5.740 -2.674 270 HA THR 37 HA THR 37 -16.387 -7.409 -0.995 271 HB THR 37 HB THR 37 -13.418 -7.699 -1.498 272 HG1 THR 37 1HG THR 37 -15.557 -8.301 -3.259 273 1HG2 THR 37 1HG2 THR 37 -15.693 -9.444 -0.749 274 2HG2 THR 37 2HG2 THR 37 -13.984 -9.586 -0.343 275 3HG2 THR 37 3HG2 THR 37 -14.563 -10.119 -1.922 276 H HIS 38 H HIS 38 -13.255 -5.793 -0.338 277 HA HIS 38 HA HIS 38 -13.041 -6.501 2.410 278 1HB HIS 38 2HB HIS 38 -11.106 -5.491 1.741 279 2HB HIS 38 1HB HIS 38 -11.934 -4.548 0.502 280 HD1 HIS 38 1HD HIS 38 -10.871 -2.294 1.150 281 HD2 HIS 38 2HD HIS 38 -12.880 -4.130 4.307 282 HE1 HIS 38 1HE HIS 38 -11.038 -0.566 2.994 283 H ILE 39 H ILE 39 -14.937 -4.072 0.749 284 HA ILE 39 HA ILE 39 -15.768 -2.731 3.253 285 HB ILE 39 HB ILE 39 -16.021 -2.370 0.294 286 1HG1 ILE 39 2HG1 ILE 39 -15.788 0.077 1.637 287 2HG1 ILE 39 1HG1 ILE 39 -14.823 -1.048 2.594 288 1HG2 ILE 39 1HG2 ILE 39 -18.125 -1.586 0.348 289 2HG2 ILE 39 2HG2 ILE 39 -17.653 -0.407 1.571 290 3HG2 ILE 39 3HG2 ILE 39 -18.238 -1.998 2.060 291 1HD1 ILE 39 1HD1 ILE 39 -14.299 -1.621 -0.139 292 2HD1 ILE 39 2HD1 ILE 39 -13.194 -0.934 1.049 293 3HD1 ILE 39 3HD1 ILE 39 -14.188 0.128 0.053 294 H LEU 40 H LEU 40 -17.243 -4.599 0.593 295 HA LEU 40 HA LEU 40 -19.765 -4.907 2.117 296 1HB LEU 40 2HB LEU 40 -19.124 -4.598 -0.528 297 2HB LEU 40 1HB LEU 40 -19.328 -6.347 -0.430 298 HG LEU 40 HG LEU 40 -21.456 -5.278 1.061 299 1HD1 LEU 40 1HD1 LEU 40 -21.270 -3.885 -1.623 300 2HD1 LEU 40 2HD1 LEU 40 -20.856 -3.100 -0.099 301 3HD1 LEU 40 3HD1 LEU 40 -22.503 -3.663 -0.381 302 1HD2 LEU 40 1HD2 LEU 40 -21.913 -5.987 -1.792 303 2HD2 LEU 40 2HD2 LEU 40 -22.685 -6.620 -0.338 304 3HD2 LEU 40 3HD2 LEU 40 -21.088 -7.198 -0.811 305 H LYS 41 H LYS 41 -17.243 -7.001 0.667 306 HA LYS 41 HA LYS 41 -18.268 -9.476 1.713 307 1HB LYS 41 2HB LYS 41 -16.662 -10.109 0.257 308 2HB LYS 41 1HB LYS 41 -16.050 -8.456 0.187 309 1HG LYS 41 2HG LYS 41 -14.203 -9.644 1.011 310 2HG LYS 41 1HG LYS 41 -14.950 -9.033 2.486 311 1HD LYS 41 2HD LYS 41 -14.489 -11.759 1.727 312 2HD LYS 41 1HD LYS 41 -15.190 -11.143 3.224 313 1HE LYS 41 2HE LYS 41 -17.339 -10.831 1.652 314 2HE LYS 41 1HE LYS 41 -16.565 -12.168 0.777 315 1HZ LYS 41 1HZ LYS 41 -17.312 -13.506 2.373 316 2HZ LYS 41 2HZ LYS 41 -16.238 -12.744 3.447 317 H ALA 42 H ALA 42 -16.186 -6.972 3.043 318 HA ALA 42 HA ALA 42 -14.983 -8.365 5.199 319 1HB ALA 42 1HB ALA 42 -14.959 -6.058 6.226 320 2HB ALA 42 2HB ALA 42 -16.019 -5.525 4.921 321 3HB ALA 42 3HB ALA 42 -14.389 -6.093 4.557 322 H ALA 43 H ALA 43 -18.273 -7.354 4.685 323 HA ALA 43 HA ALA 43 -19.067 -8.655 7.237 324 1HB ALA 43 1HB ALA 43 -20.603 -6.438 7.367 325 2HB ALA 43 2HB ALA 43 -19.205 -5.763 6.532 326 3HB ALA 43 3HB ALA 43 -19.006 -6.523 8.110 327 H ASN 44 H ASN 44 -19.409 -9.229 4.302 328 HA ASN 44 HA ASN 44 -22.370 -9.514 4.357 329 1HB ASN 44 2HB ASN 44 -22.708 -8.134 2.565 330 2HB ASN 44 1HB ASN 44 -21.164 -7.433 3.049 331 1HD2 ASN 44 1HD2 ASN 44 -20.475 -6.946 0.864 332 2HD2 ASN 44 2HD2 ASN 44 -20.085 -8.166 -0.249 333 H PHE 45 H PHE 45 -19.468 -10.983 4.061 334 HA PHE 45 HA PHE 45 -18.729 -12.991 3.045 335 1HB PHE 45 2HB PHE 45 -21.609 -13.142 3.687 336 2HB PHE 45 1HB PHE 45 -21.057 -14.354 2.531 337 HD1 PHE 45 1HD PHE 45 -21.978 -14.697 5.520 338 HD2 PHE 45 2HD PHE 45 -18.145 -14.418 3.602 339 HE1 PHE 45 1HE PHE 45 -20.959 -15.999 7.368 340 HE2 PHE 45 2HE PHE 45 -17.127 -15.721 5.450 341 HZ PHE 45 HZ PHE 45 -18.534 -16.511 7.333 342 H ALA 46 H ALA 46 -18.069 -13.421 0.960 343 HA ALA 46 HA ALA 46 -19.533 -12.111 -1.267 344 1HB ALA 46 1HB ALA 46 -17.408 -11.793 -1.961 345 2HB ALA 46 2HB ALA 46 -17.161 -13.537 -2.044 346 3HB ALA 46 3HB ALA 46 -16.832 -12.671 -0.544 347 H LYS 47 H LYS 47 -21.313 -13.534 -1.527 348 HA LYS 47 HA LYS 47 -20.619 -16.209 -2.682 349 1HB LYS 47 2HB LYS 47 -21.914 -15.665 -0.261 350 2HB LYS 47 1HB LYS 47 -23.229 -16.031 -1.379 351 1HG LYS 47 2HG LYS 47 -22.251 -18.158 -1.951 352 2HG LYS 47 1HG LYS 47 -20.772 -17.774 -1.070 353 1HD LYS 47 2HD LYS 47 -22.331 -19.293 0.192 354 2HD LYS 47 1HD LYS 47 -21.954 -17.796 1.045 355 1HE LYS 47 2HE LYS 47 -24.254 -17.729 1.270 356 2HE LYS 47 1HE LYS 47 -24.147 -16.991 -0.341 357 1HZ LYS 47 1HZ LYS 47 -25.040 -19.635 0.410 358 2HZ LYS 47 2HZ LYS 47 -25.391 -18.727 -0.982 359 H ALA 48 H ALA 48 -23.166 -16.900 -3.578 360 HA ALA 48 HA ALA 48 -23.497 -15.445 -5.971 361 1HB ALA 48 1HB ALA 48 -24.527 -17.605 -5.637 362 2HB ALA 48 2HB ALA 48 -25.847 -16.454 -5.847 363 3HB ALA 48 3HB ALA 48 -25.421 -17.023 -4.233 364 H LYS 49 H LYS 49 -24.480 -14.729 -2.721 365 HA LYS 49 HA LYS 49 -26.496 -12.737 -3.292 366 1HB LYS 49 2HB LYS 49 -25.029 -13.882 -1.052 367 2HB LYS 49 1HB LYS 49 -25.204 -12.136 -0.868 368 1HG LYS 49 2HG LYS 49 -27.363 -12.388 -0.298 369 2HG LYS 49 1HG LYS 49 -27.686 -13.209 -1.826 370 1HD LYS 49 2HD LYS 49 -26.355 -15.148 -0.381 371 2HD LYS 49 1HD LYS 49 -27.315 -14.340 0.859 372 1HE LYS 49 2HE LYS 49 -28.207 -16.033 -1.393 373 2HE LYS 49 1HE LYS 49 -29.033 -15.654 0.130 374 1HZ LYS 49 1HZ LYS 49 -30.267 -14.501 -1.451 375 2HZ LYS 49 2HZ LYS 49 -29.218 -13.310 -0.845 376 H ARG 50 H ARG 50 -23.017 -12.508 -2.421 377 HA ARG 50 HA ARG 50 -22.780 -9.678 -2.734 378 1HB ARG 50 2HB ARG 50 -20.832 -11.986 -3.025 379 2HB ARG 50 1HB ARG 50 -20.336 -10.295 -2.956 380 1HG ARG 50 2HG ARG 50 -21.175 -12.073 -0.790 381 2HG ARG 50 1HG ARG 50 -20.293 -10.547 -0.710 382 1HD ARG 50 2HD ARG 50 -22.252 -9.268 -0.571 383 2HD ARG 50 1HD ARG 50 -23.244 -10.532 -1.327 384 HE ARG 50 HE ARG 50 -22.417 -10.455 1.499 385 1HH1 ARG 50 1HH1 ARG 50 -23.587 -12.258 -1.197 386 1HH2 ARG 50 1HH2 ARG 50 -23.326 -12.078 2.783 387 2HH2 ARG 50 2HH2 ARG 50 -24.141 -13.407 2.027 388 H THR 51 H THR 51 -22.797 -12.309 -5.069 389 HA THR 51 HA THR 51 -21.592 -10.892 -7.270 390 HB THR 51 HB THR 51 -22.752 -13.426 -6.667 391 HG1 THR 51 1HG THR 51 -21.519 -14.016 -8.382 392 1HG2 THR 51 1HG2 THR 51 -23.732 -13.356 -9.261 393 2HG2 THR 51 2HG2 THR 51 -24.317 -11.845 -8.564 394 3HG2 THR 51 3HG2 THR 51 -24.709 -13.382 -7.793 395 H ARG 52 H ARG 52 -24.879 -11.123 -5.994 396 HA ARG 52 HA ARG 52 -25.960 -9.476 -8.216 397 1HB ARG 52 2HB ARG 52 -27.117 -10.887 -5.795 398 2HB ARG 52 1HB ARG 52 -28.097 -9.919 -6.897 399 1HG ARG 52 2HG ARG 52 -28.069 -11.516 -8.506 400 2HG ARG 52 1HG ARG 52 -26.353 -11.848 -8.266 401 1HD ARG 52 2HD ARG 52 -28.387 -13.559 -7.528 402 2HD ARG 52 1HD ARG 52 -26.766 -13.564 -6.805 403 HE ARG 52 HE ARG 52 -27.894 -12.860 -4.851 404 1HH1 ARG 52 1HH1 ARG 52 -29.196 -11.406 -7.693 405 1HH2 ARG 52 1HH2 ARG 52 -29.312 -11.524 -3.704 406 2HH2 ARG 52 2HH2 ARG 52 -30.353 -10.444 -4.570 407 H ILE 53 H ILE 53 -26.402 -9.327 -4.667 408 HA ILE 53 HA ILE 53 -27.119 -6.646 -4.421 409 HB ILE 53 HB ILE 53 -25.808 -8.725 -2.766 410 1HG1 ILE 53 2HG1 ILE 53 -27.817 -6.803 -1.708 411 2HG1 ILE 53 1HG1 ILE 53 -28.339 -7.812 -3.058 412 1HG2 ILE 53 1HG2 ILE 53 -24.297 -7.061 -2.079 413 2HG2 ILE 53 2HG2 ILE 53 -25.604 -6.907 -0.905 414 3HG2 ILE 53 3HG2 ILE 53 -25.490 -5.775 -2.251 415 1HD1 ILE 53 1HD1 ILE 53 -27.487 -8.627 -0.300 416 2HD1 ILE 53 2HD1 ILE 53 -27.222 -9.743 -1.640 417 3HD1 ILE 53 3HD1 ILE 53 -28.855 -9.194 -1.259 418 H LEU 54 H LEU 54 -23.813 -7.991 -4.572 419 HA LEU 54 HA LEU 54 -22.456 -5.456 -4.240 420 1HB LEU 54 2HB LEU 54 -21.813 -8.138 -4.320 421 2HB LEU 54 1HB LEU 54 -21.146 -7.556 -5.846 422 HG LEU 54 HG LEU 54 -20.568 -6.466 -3.078 423 1HD1 LEU 54 1HD1 LEU 54 -18.577 -7.574 -3.197 424 2HD1 LEU 54 2HD1 LEU 54 -18.417 -7.304 -4.932 425 3HD1 LEU 54 3HD1 LEU 54 -19.442 -8.608 -4.334 426 1HD2 LEU 54 1HD2 LEU 54 -20.034 -4.515 -4.069 427 2HD2 LEU 54 2HD2 LEU 54 -20.526 -5.162 -5.634 428 3HD2 LEU 54 3HD2 LEU 54 -18.866 -5.366 -5.079 429 H GLU 55 H GLU 55 -22.906 -7.487 -7.141 430 HA GLU 55 HA GLU 55 -21.997 -5.700 -9.102 431 1HB GLU 55 2HB GLU 55 -22.602 -7.544 -10.256 432 2HB GLU 55 1HB GLU 55 -23.582 -8.098 -8.898 433 1HG GLU 55 2HG GLU 55 -25.474 -7.559 -9.984 434 2HG GLU 55 1HG GLU 55 -24.909 -5.904 -10.212 435 H LYS 56 H LYS 56 -25.224 -5.855 -7.591 436 HA LYS 56 HA LYS 56 -26.332 -3.719 -9.240 437 1HB LYS 56 2HB LYS 56 -27.694 -5.482 -8.177 438 2HB LYS 56 1HB LYS 56 -27.164 -4.943 -6.583 439 1HG LYS 56 2HG LYS 56 -28.301 -2.811 -8.279 440 2HG LYS 56 1HG LYS 56 -29.447 -4.071 -7.819 441 1HD LYS 56 2HD LYS 56 -28.885 -3.765 -5.456 442 2HD LYS 56 1HD LYS 56 -27.670 -2.559 -5.882 443 1HE LYS 56 2HE LYS 56 -30.246 -1.913 -7.084 444 2HE LYS 56 1HE LYS 56 -30.360 -2.036 -5.317 445 1HZ LYS 56 1HZ LYS 56 -29.599 0.135 -5.730 446 2HZ LYS 56 2HZ LYS 56 -28.210 -0.732 -5.279 447 H GLU 57 H GLU 57 -24.521 -3.944 -6.264 448 HA GLU 57 HA GLU 57 -25.074 -1.168 -5.446 449 1HB GLU 57 2HB GLU 57 -24.688 -3.066 -3.863 450 2HB GLU 57 1HB GLU 57 -23.046 -3.221 -4.488 451 1HG GLU 57 2HG GLU 57 -22.935 -1.893 -2.473 452 2HG GLU 57 1HG GLU 57 -22.661 -0.812 -3.840 453 H VAL 58 H VAL 58 -22.311 -3.050 -6.713 454 HA VAL 58 HA VAL 58 -20.754 -0.577 -7.164 455 HB VAL 58 HB VAL 58 -19.650 -3.039 -8.230 456 1HG1 VAL 58 1HG1 VAL 58 -18.081 -2.518 -6.182 457 2HG1 VAL 58 2HG1 VAL 58 -19.004 -1.016 -6.107 458 3HG1 VAL 58 3HG1 VAL 58 -18.102 -1.426 -7.567 459 1HG2 VAL 58 1HG2 VAL 58 -19.542 -3.942 -5.712 460 2HG2 VAL 58 2HG2 VAL 58 -20.834 -4.426 -6.811 461 3HG2 VAL 58 3HG2 VAL 58 -21.114 -3.147 -5.629 462 H LEU 59 H LEU 59 -22.128 -3.271 -9.106 463 HA LEU 59 HA LEU 59 -21.358 -2.694 -11.670 464 1HB LEU 59 2HB LEU 59 -23.033 -4.399 -10.963 465 2HB LEU 59 1HB LEU 59 -24.223 -3.111 -10.751 466 HG LEU 59 HG LEU 59 -24.347 -4.315 -12.981 467 1HD1 LEU 59 1HD1 LEU 59 -24.670 -1.631 -12.326 468 2HD1 LEU 59 2HD1 LEU 59 -25.249 -2.408 -13.801 469 3HD1 LEU 59 3HD1 LEU 59 -23.691 -1.582 -13.792 470 1HD2 LEU 59 1HD2 LEU 59 -22.103 -2.702 -14.015 471 2HD2 LEU 59 2HD2 LEU 59 -22.560 -4.361 -14.396 472 3HD2 LEU 59 3HD2 LEU 59 -21.614 -4.017 -12.948 473 H LYS 60 H LYS 60 -23.924 -0.938 -9.901 474 HA LYS 60 HA LYS 60 -24.338 1.027 -12.005 475 1HB LYS 60 2HB LYS 60 -25.348 0.315 -9.377 476 2HB LYS 60 1HB LYS 60 -25.109 2.059 -9.485 477 1HG LYS 60 2HG LYS 60 -26.301 1.002 -11.920 478 2HG LYS 60 1HG LYS 60 -27.282 0.623 -10.503 479 1HD LYS 60 2HD LYS 60 -28.038 2.741 -10.489 480 2HD LYS 60 1HD LYS 60 -26.392 3.304 -10.199 481 1HE LYS 60 2HE LYS 60 -26.067 3.894 -12.397 482 2HE LYS 60 1HE LYS 60 -27.044 2.542 -13.006 483 1HZ LYS 60 1HZ LYS 60 -27.982 5.088 -11.820 484 2HZ LYS 60 2HZ LYS 60 -28.368 4.434 -13.339 485 H GLU 61 H GLU 61 -21.890 0.425 -9.804 486 HA GLU 61 HA GLU 61 -20.956 3.277 -9.790 487 1HB GLU 61 2HB GLU 61 -20.354 0.886 -8.015 488 2HB GLU 61 1HB GLU 61 -19.585 2.464 -7.841 489 1HG GLU 61 2HG GLU 61 -22.413 1.661 -7.277 490 2HG GLU 61 1HG GLU 61 -21.341 2.709 -6.349 491 H THR 62 H THR 62 -18.262 2.822 -9.296 492 HA THR 62 HA THR 62 -17.350 1.818 -11.921 493 HB THR 62 HB THR 62 -16.693 3.926 -10.304 494 HG1 THR 62 1HG THR 62 -15.675 2.662 -12.486 495 1HG2 THR 62 1HG2 THR 62 -15.028 3.461 -8.855 496 2HG2 THR 62 2HG2 THR 62 -14.164 2.490 -10.047 497 3HG2 THR 62 3HG2 THR 62 -15.447 1.762 -9.079 498 H HIS 63 H HIS 63 -18.280 -0.332 -10.432 499 HA HIS 63 HA HIS 63 -16.369 -1.610 -8.729 500 1HB HIS 63 2HB HIS 63 -17.792 -3.515 -9.031 501 2HB HIS 63 1HB HIS 63 -18.847 -2.106 -9.148 502 HD1 HIS 63 1HD HIS 63 -17.539 -1.533 -12.151 503 HD2 HIS 63 2HD HIS 63 -19.642 -4.880 -10.826 504 HE1 HIS 63 1HE HIS 63 -18.483 -2.651 -14.218 505 H GLU 64 H GLU 64 -14.330 -2.232 -9.339 506 HA GLU 64 HA GLU 64 -13.901 -3.087 -12.183 507 1HB GLU 64 2HB GLU 64 -12.379 -1.514 -10.159 508 2HB GLU 64 1HB GLU 64 -11.436 -2.520 -11.258 509 1HG GLU 64 2HG GLU 64 -13.597 -0.926 -12.517 510 2HG GLU 64 1HG GLU 64 -12.241 0.000 -11.871 511 H LYS 65 H LYS 65 -13.396 -5.222 -12.457 512 HA LYS 65 HA LYS 65 -12.727 -6.865 -10.069 513 1HB LYS 65 2HB LYS 65 -13.154 -8.710 -11.774 514 2HB LYS 65 1HB LYS 65 -14.529 -7.647 -11.469 515 1HG LYS 65 2HG LYS 65 -13.231 -6.311 -13.487 516 2HG LYS 65 1HG LYS 65 -12.937 -7.996 -13.922 517 1HD LYS 65 2HD LYS 65 -15.027 -8.085 -14.752 518 2HD LYS 65 1HD LYS 65 -15.636 -7.874 -13.110 519 1HE LYS 65 2HE LYS 65 -16.563 -5.949 -13.925 520 2HE LYS 65 1HE LYS 65 -14.916 -5.293 -13.814 521 1HZ LYS 65 1HZ LYS 65 -14.545 -6.401 -16.048 522 2HZ LYS 65 2HZ LYS 65 -16.235 -6.549 -16.150 523 H VAL 66 H VAL 66 -10.639 -7.563 -9.738 524 HA VAL 66 HA VAL 66 -8.566 -6.862 -11.722 525 HB VAL 66 HB VAL 66 -7.121 -7.085 -9.896 526 1HG1 VAL 66 1HG1 VAL 66 -9.843 -6.180 -9.204 527 2HG1 VAL 66 2HG1 VAL 66 -8.293 -5.378 -8.952 528 3HG1 VAL 66 3HG1 VAL 66 -8.845 -6.608 -7.815 529 1HG2 VAL 66 1HG2 VAL 66 -8.595 -9.477 -9.495 530 2HG2 VAL 66 2HG2 VAL 66 -8.666 -8.580 -7.978 531 3HG2 VAL 66 3HG2 VAL 66 -7.105 -8.987 -8.690 532 H GLN 67 H GLN 67 -7.659 -8.350 -13.098 533 HA GLN 67 HA GLN 67 -7.844 -11.250 -12.425 534 1HB GLN 67 2HB GLN 67 -9.482 -9.840 -14.267 535 2HB GLN 67 1HB GLN 67 -8.364 -10.812 -15.226 536 1HG GLN 67 2HG GLN 67 -10.283 -12.192 -14.764 537 2HG GLN 67 1HG GLN 67 -8.965 -12.780 -13.751 538 1HE2 GLN 67 1HE2 GLN 67 -10.910 -9.830 -13.168 539 2HE2 GLN 67 2HE2 GLN 67 -11.583 -10.372 -11.706 540 H GLY 68 H GLY 68 -6.054 -12.418 -13.184 541 1HA GLY 68 2HA GLY 68 -4.150 -12.802 -14.610 542 2HA GLY 68 1HA GLY 68 -4.224 -11.114 -15.119 543 H GLY 69 H GLY 69 -4.583 -11.449 -11.757 544 1HA GLY 69 2HA GLY 69 -2.929 -11.456 -10.010 545 2HA GLY 69 1HA GLY 69 -1.671 -11.287 -11.234 546 H PHE 70 H PHE 70 -4.056 -9.143 -12.054 547 HA PHE 70 HA PHE 70 -2.562 -6.900 -10.767 548 1HB PHE 70 2HB PHE 70 -3.024 -5.751 -12.708 549 2HB PHE 70 1HB PHE 70 -3.206 -7.382 -13.351 550 HD1 PHE 70 1HD PHE 70 -5.283 -8.128 -14.192 551 HD2 PHE 70 2HD PHE 70 -5.108 -4.580 -11.777 552 HE1 PHE 70 1HE PHE 70 -7.665 -7.664 -14.702 553 HE2 PHE 70 2HE PHE 70 -7.490 -4.115 -12.287 554 HZ PHE 70 HZ PHE 70 -8.769 -5.657 -13.749 555 H GLY 71 H GLY 71 -3.653 -6.958 -8.691 556 1HA GLY 71 2HA GLY 71 -5.302 -5.869 -7.337 557 2HA GLY 71 1HA GLY 71 -6.328 -5.705 -8.763 558 H LYS 72 H LYS 72 -4.852 -8.783 -8.075 559 HA LYS 72 HA LYS 72 -7.423 -10.116 -7.996 560 1HB LYS 72 2HB LYS 72 -5.775 -11.497 -8.819 561 2HB LYS 72 1HB LYS 72 -4.525 -10.768 -7.809 562 1HG LYS 72 2HG LYS 72 -6.717 -12.504 -6.658 563 2HG LYS 72 1HG LYS 72 -5.183 -13.170 -7.220 564 1HD LYS 72 2HD LYS 72 -4.592 -10.904 -5.593 565 2HD LYS 72 1HD LYS 72 -5.749 -11.907 -4.715 566 1HE LYS 72 2HE LYS 72 -3.546 -12.735 -4.158 567 2HE LYS 72 1HE LYS 72 -4.250 -13.905 -5.293 568 1HZ LYS 72 1HZ LYS 72 -3.228 -12.179 -7.006 569 2HZ LYS 72 2HZ LYS 72 -2.329 -13.488 -6.401 570 H TYR 73 H TYR 73 -6.290 -8.115 -5.795 571 HA TYR 73 HA TYR 73 -7.060 -9.799 -3.437 572 1HB TYR 73 2HB TYR 73 -5.362 -7.292 -3.710 573 2HB TYR 73 1HB TYR 73 -5.737 -8.080 -2.178 574 HD1 TYR 73 1HD TYR 73 -3.391 -7.891 -4.802 575 HD2 TYR 73 2HD TYR 73 -5.245 -10.697 -2.131 576 HE1 TYR 73 1HE TYR 73 -1.505 -9.465 -5.146 577 HE2 TYR 73 2HE TYR 73 -3.359 -12.271 -2.475 578 HH TYR 73 HH TYR 73 -1.019 -12.209 -3.169 579 H GLN 74 H GLN 74 -7.663 -6.916 -5.322 580 HA GLN 74 HA GLN 74 -9.649 -5.880 -3.371 581 1HB GLN 74 2HB GLN 74 -8.891 -4.807 -6.099 582 2HB GLN 74 1HB GLN 74 -9.567 -3.914 -4.737 583 1HG GLN 74 2HG GLN 74 -6.956 -3.853 -5.262 584 2HG GLN 74 1HG GLN 74 -7.553 -3.845 -3.602 585 1HE2 GLN 74 1HE2 GLN 74 -6.091 -5.909 -6.103 586 2HE2 GLN 74 2HE2 GLN 74 -5.634 -7.156 -5.047 587 H GLY 75 H GLY 75 -9.486 -7.117 -6.717 588 1HA GLY 75 2HA GLY 75 -11.157 -8.225 -7.962 589 2HA GLY 75 1HA GLY 75 -12.184 -8.191 -6.526 590 H THR 76 H THR 76 -13.465 -6.296 -6.126 591 HA THR 76 HA THR 76 -13.896 -4.633 -8.582 592 HB THR 76 HB THR 76 -16.102 -4.313 -6.985 593 HG1 THR 76 1HG THR 76 -16.493 -6.185 -5.938 594 1HG2 THR 76 1HG2 THR 76 -15.846 -5.075 -9.422 595 2HG2 THR 76 2HG2 THR 76 -17.208 -5.746 -8.523 596 3HG2 THR 76 3HG2 THR 76 -15.756 -6.716 -8.780 597 H TRP 77 H TRP 77 -12.668 -2.774 -8.249 598 HA TRP 77 HA TRP 77 -12.292 -1.586 -5.617 599 1HB TRP 77 2HB TRP 77 -11.852 -0.036 -8.120 600 2HB TRP 77 1HB TRP 77 -10.769 -0.287 -6.752 601 HD1 TRP 77 HD TRP 77 -10.540 -3.350 -6.632 602 HE1 TRP 77 1HE TRP 77 -9.401 -4.683 -8.524 603 HE3 TRP 77 3HE TRP 77 -10.942 0.014 -10.452 604 HZ2 TRP 77 2HZ TRP 77 -8.746 -4.364 -11.288 605 HZ3 TRP 77 3HZ TRP 77 -10.053 -0.523 -12.701 606 HH2 TRP 77 HH TRP 77 -8.956 -2.707 -13.125 607 H VAL 78 H VAL 78 -13.393 0.156 -4.732 608 HA VAL 78 HA VAL 78 -15.641 1.319 -6.344 609 HB VAL 78 HB VAL 78 -16.410 1.495 -3.704 610 1HG1 VAL 78 1HG1 VAL 78 -16.965 -0.310 -5.994 611 2HG1 VAL 78 2HG1 VAL 78 -18.075 0.675 -5.041 612 3HG1 VAL 78 3HG1 VAL 78 -17.517 -0.878 -4.418 613 1HG2 VAL 78 1HG2 VAL 78 -14.630 0.204 -2.793 614 2HG2 VAL 78 2HG2 VAL 78 -14.702 -0.968 -4.109 615 3HG2 VAL 78 3HG2 VAL 78 -15.988 -0.917 -2.902 616 HA PRO 79 HA PRO 79 -13.926 5.273 -5.560 617 1HB PRO 79 2HB PRO 79 -16.329 6.585 -4.849 618 2HB PRO 79 1HB PRO 79 -15.644 6.460 -6.478 619 1HG PRO 79 2HG PRO 79 -17.829 4.922 -5.229 620 2HG PRO 79 1HG PRO 79 -17.547 5.313 -6.931 621 1HD PRO 79 2HD PRO 79 -17.151 2.838 -5.898 622 2HD PRO 79 1HD PRO 79 -16.218 3.475 -7.272 623 H LEU 80 H LEU 80 -12.759 5.430 -3.658 624 HA LEU 80 HA LEU 80 -13.465 4.566 -1.103 625 1HB LEU 80 2HB LEU 80 -11.680 6.050 -0.364 626 2HB LEU 80 1HB LEU 80 -11.245 5.402 -1.946 627 HG LEU 80 HG LEU 80 -12.782 7.967 -1.845 628 1HD1 LEU 80 1HD1 LEU 80 -10.919 9.294 -1.328 629 2HD1 LEU 80 2HD1 LEU 80 -9.779 7.985 -1.642 630 3HD1 LEU 80 3HD1 LEU 80 -10.766 7.964 -0.181 631 1HD2 LEU 80 1HD2 LEU 80 -12.235 7.930 -4.031 632 2HD2 LEU 80 2HD2 LEU 80 -11.451 6.371 -3.782 633 3HD2 LEU 80 3HD2 LEU 80 -10.519 7.860 -3.624 634 H ASN 81 H ASN 81 -14.312 7.619 -2.694 635 HA ASN 81 HA ASN 81 -15.349 9.011 -0.421 636 1HB ASN 81 2HB ASN 81 -16.693 10.160 -2.301 637 2HB ASN 81 1HB ASN 81 -14.936 10.181 -2.461 638 1HD2 ASN 81 1HD2 ASN 81 -16.382 10.457 -4.815 639 2HD2 ASN 81 2HD2 ASN 81 -16.299 9.031 -5.730 640 H ILE 82 H ILE 82 -16.740 6.589 -2.589 641 HA ILE 82 HA ILE 82 -19.315 6.698 -1.070 642 HB ILE 82 HB ILE 82 -20.205 6.440 -3.134 643 1HG1 ILE 82 2HG1 ILE 82 -19.050 4.376 -4.506 644 2HG1 ILE 82 1HG1 ILE 82 -18.651 3.939 -2.844 645 1HG2 ILE 82 1HG2 ILE 82 -17.886 7.585 -3.642 646 2HG2 ILE 82 2HG2 ILE 82 -18.877 6.988 -4.974 647 3HG2 ILE 82 3HG2 ILE 82 -17.510 6.036 -4.397 648 1HD1 ILE 82 1HD1 ILE 82 -21.126 4.411 -2.311 649 2HD1 ILE 82 2HD1 ILE 82 -20.771 2.945 -3.226 650 3HD1 ILE 82 3HD1 ILE 82 -21.382 4.378 -4.055 651 H ALA 83 H ALA 83 -16.595 4.637 -1.967 652 HA ALA 83 HA ALA 83 -17.646 2.118 -1.111 653 1HB ALA 83 1HB ALA 83 -14.868 2.219 -0.603 654 2HB ALA 83 2HB ALA 83 -15.149 3.336 -1.939 655 3HB ALA 83 3HB ALA 83 -15.654 1.652 -2.077 656 H LYS 84 H LYS 84 -15.384 4.309 0.645 657 HA LYS 84 HA LYS 84 -15.545 2.969 3.144 658 1HB LYS 84 2HB LYS 84 -15.216 5.952 2.789 659 2HB LYS 84 1HB LYS 84 -14.395 4.887 3.932 660 1HG LYS 84 2HG LYS 84 -13.607 3.731 1.629 661 2HG LYS 84 1HG LYS 84 -13.814 5.387 1.058 662 1HD LYS 84 2HD LYS 84 -12.212 4.649 3.520 663 2HD LYS 84 1HD LYS 84 -11.501 4.885 1.925 664 1HE LYS 84 2HE LYS 84 -11.347 7.088 2.475 665 2HE LYS 84 1HE LYS 84 -13.112 7.149 2.296 666 1HZ LYS 84 1HZ LYS 84 -13.246 6.272 4.612 667 2HZ LYS 84 2HZ LYS 84 -11.571 6.519 4.756 668 H GLN 85 H GLN 85 -17.670 5.354 1.636 669 HA GLN 85 HA GLN 85 -19.155 6.080 3.992 670 1HB GLN 85 2HB GLN 85 -19.372 7.507 2.144 671 2HB GLN 85 1HB GLN 85 -19.535 6.165 1.010 672 1HG GLN 85 2HG GLN 85 -21.726 5.666 2.409 673 2HG GLN 85 1HG GLN 85 -21.594 7.378 2.816 674 1HE2 GLN 85 1HE2 GLN 85 -21.354 5.292 -0.130 675 2HE2 GLN 85 2HE2 GLN 85 -22.176 6.380 -1.141 676 H LEU 86 H LEU 86 -19.336 3.387 1.733 677 HA LEU 86 HA LEU 86 -21.928 2.448 2.772 678 1HB LEU 86 2HB LEU 86 -20.563 2.228 0.415 679 2HB LEU 86 1HB LEU 86 -20.207 0.671 1.163 680 HG LEU 86 HG LEU 86 -23.010 1.425 1.476 681 1HD1 LEU 86 1HD1 LEU 86 -23.258 0.698 -1.105 682 2HD1 LEU 86 2HD1 LEU 86 -21.728 1.569 -1.208 683 3HD1 LEU 86 3HD1 LEU 86 -23.170 2.387 -0.604 684 1HD2 LEU 86 1HD2 LEU 86 -21.855 -0.841 1.787 685 2HD2 LEU 86 2HD2 LEU 86 -21.794 -0.938 0.027 686 3HD2 LEU 86 3HD2 LEU 86 -23.351 -0.858 0.852 687 H ALA 87 H ALA 87 -18.488 1.602 3.050 688 HA ALA 87 HA ALA 87 -19.101 -0.649 4.872 689 1HB ALA 87 1HB ALA 87 -16.909 0.329 3.199 690 2HB ALA 87 2HB ALA 87 -17.241 -1.312 3.752 691 3HB ALA 87 3HB ALA 87 -16.349 -0.198 4.786 692 H GLU 88 H GLU 88 -16.946 2.230 5.063 693 HA GLU 88 HA GLU 88 -16.210 2.383 7.634 694 1HB GLU 88 2HB GLU 88 -15.890 4.566 7.120 695 2HB GLU 88 1HB GLU 88 -16.564 4.137 5.554 696 1HG GLU 88 2HG GLU 88 -18.634 5.054 6.030 697 2HG GLU 88 1HG GLU 88 -18.466 4.789 7.766 698 H LYS 89 H LYS 89 -19.540 2.439 6.562 699 HA LYS 89 HA LYS 89 -20.704 3.478 8.996 700 1HB LYS 89 2HB LYS 89 -21.482 2.676 6.406 701 2HB LYS 89 1HB LYS 89 -22.360 1.614 7.508 702 1HG LYS 89 2HG LYS 89 -23.152 3.591 8.770 703 2HG LYS 89 1HG LYS 89 -22.302 4.643 7.638 704 1HD LYS 89 2HD LYS 89 -24.093 4.592 6.282 705 2HD LYS 89 1HD LYS 89 -23.864 2.854 6.083 706 1HE LYS 89 2HE LYS 89 -25.755 2.470 7.265 707 2HE LYS 89 1HE LYS 89 -25.064 3.331 8.655 708 1HZ LYS 89 1HZ LYS 89 -27.150 4.244 7.263 709 2HZ LYS 89 2HZ LYS 89 -26.061 5.254 8.086 710 H PHE 90 H PHE 90 -21.935 0.418 8.066 711 HA PHE 90 HA PHE 90 -20.934 -0.783 10.626 712 1HB PHE 90 2HB PHE 90 -23.037 -1.756 10.828 713 2HB PHE 90 1HB PHE 90 -23.459 -0.287 9.948 714 HD1 PHE 90 1HD PHE 90 -22.131 -1.159 7.296 715 HD2 PHE 90 2HD PHE 90 -24.856 -3.119 9.975 716 HE1 PHE 90 1HE PHE 90 -22.994 -2.529 5.417 717 HE2 PHE 90 2HE PHE 90 -25.719 -4.489 8.098 718 HZ PHE 90 HZ PHE 90 -24.787 -4.194 5.818 719 H SER 91 H SER 91 -20.074 -0.825 7.507 720 HA SER 91 HA SER 91 -19.992 -3.754 7.133 721 1HB SER 91 2HB SER 91 -20.415 -1.616 5.480 722 2HB SER 91 1HB SER 91 -18.710 -1.946 5.185 723 HG SER 91 HG SER 91 -19.688 -4.274 5.164 724 H VAL 92 H VAL 92 -17.557 -1.176 6.600 725 HA VAL 92 HA VAL 92 -15.504 -3.044 7.750 726 HB VAL 92 HB VAL 92 -14.504 -0.956 5.988 727 1HG1 VAL 92 1HG1 VAL 92 -13.451 -2.841 4.902 728 2HG1 VAL 92 2HG1 VAL 92 -14.598 -3.964 5.631 729 3HG1 VAL 92 3HG1 VAL 92 -13.410 -3.137 6.639 730 1HG2 VAL 92 1HG2 VAL 92 -15.734 -1.286 4.057 731 2HG2 VAL 92 2HG2 VAL 92 -17.014 -1.508 5.250 732 3HG2 VAL 92 3HG2 VAL 92 -16.230 -2.913 4.527 733 H TYR 93 H TYR 93 -17.051 -0.019 8.092 734 HA TYR 93 HA TYR 93 -15.427 1.934 8.929 735 1HB TYR 93 2HB TYR 93 -17.936 1.496 9.381 736 2HB TYR 93 1HB TYR 93 -17.401 0.776 10.898 737 HD1 TYR 93 1HD TYR 93 -15.538 3.527 9.330 738 HD2 TYR 93 2HD TYR 93 -18.489 2.495 12.276 739 HE1 TYR 93 1HE TYR 93 -15.327 5.785 10.333 740 HE2 TYR 93 2HE TYR 93 -18.278 4.753 13.279 741 HH TYR 93 HH TYR 93 -16.165 7.219 11.823 742 H ASP 94 H ASP 94 -15.526 -1.246 10.450 743 HA ASP 94 HA ASP 94 -13.709 -0.407 12.630 744 1HB ASP 94 2HB ASP 94 -15.065 -2.990 11.809 745 2HB ASP 94 1HB ASP 94 -14.002 -2.867 13.211 746 H GLN 95 H GLN 95 -13.636 -2.987 10.132 747 HA GLN 95 HA GLN 95 -10.876 -3.613 10.405 748 1HB GLN 95 2HB GLN 95 -13.131 -4.299 8.805 749 2HB GLN 95 1HB GLN 95 -11.791 -3.961 7.708 750 1HG GLN 95 2HG GLN 95 -11.009 -6.023 8.172 751 2HG GLN 95 1HG GLN 95 -10.645 -5.437 9.795 752 1HE2 GLN 95 1HE2 GLN 95 -12.475 -7.738 8.084 753 2HE2 GLN 95 2HE2 GLN 95 -13.559 -8.155 9.321 754 H LEU 96 H LEU 96 -12.463 -0.977 8.716 755 HA LEU 96 HA LEU 96 -10.099 -0.331 7.085 756 1HB LEU 96 2HB LEU 96 -12.445 1.481 7.580 757 2HB LEU 96 1HB LEU 96 -11.538 1.224 6.090 758 HG LEU 96 HG LEU 96 -13.853 -0.247 7.145 759 1HD1 LEU 96 1HD1 LEU 96 -14.210 0.618 5.028 760 2HD1 LEU 96 2HD1 LEU 96 -13.639 -0.994 4.596 761 3HD1 LEU 96 3HD1 LEU 96 -12.534 0.380 4.534 762 1HD2 LEU 96 1HD2 LEU 96 -12.526 -2.257 5.734 763 2HD2 LEU 96 2HD2 LEU 96 -12.803 -2.224 7.476 764 3HD2 LEU 96 3HD2 LEU 96 -11.290 -1.609 6.811 765 H LYS 97 H LYS 97 -10.088 -0.267 10.185 766 HA LYS 97 HA LYS 97 -9.966 2.361 11.191 767 1HB LYS 97 2HB LYS 97 -8.737 -0.287 11.774 768 2HB LYS 97 1HB LYS 97 -7.984 1.109 12.544 769 1HG LYS 97 2HG LYS 97 -10.453 1.766 13.146 770 2HG LYS 97 1HG LYS 97 -10.780 0.057 12.862 771 1HD LYS 97 2HD LYS 97 -8.413 0.689 14.549 772 2HD LYS 97 1HD LYS 97 -9.996 1.000 15.263 773 1HE LYS 97 2HE LYS 97 -10.123 -1.214 15.736 774 2HE LYS 97 1HE LYS 97 -10.212 -1.520 13.990 775 1HZ LYS 97 1HZ LYS 97 -7.652 -1.013 15.396 776 2HZ LYS 97 2HZ LYS 97 -8.275 -2.579 15.182 777 HA PRO 98 HA PRO 98 -5.278 2.475 9.966 778 1HB PRO 98 2HB PRO 98 -5.118 0.333 7.930 779 2HB PRO 98 1HB PRO 98 -4.024 0.681 9.282 780 1HG PRO 98 2HG PRO 98 -5.690 -1.438 9.258 781 2HG PRO 98 1HG PRO 98 -5.199 -0.610 10.744 782 1HD PRO 98 2HD PRO 98 -7.788 -0.511 9.295 783 2HD PRO 98 1HD PRO 98 -7.450 -0.351 11.034 784 H LEU 99 H LEU 99 -7.191 1.086 7.264 785 HA LEU 99 HA LEU 99 -6.338 2.801 5.201 786 1HB LEU 99 2HB LEU 99 -8.092 0.747 5.506 787 2HB LEU 99 1HB LEU 99 -9.222 2.091 5.330 788 HG LEU 99 HG LEU 99 -7.181 2.462 3.387 789 1HD1 LEU 99 1HD1 LEU 99 -8.234 0.032 2.377 790 2HD1 LEU 99 2HD1 LEU 99 -7.620 -0.321 3.991 791 3HD1 LEU 99 3HD1 LEU 99 -6.554 0.388 2.778 792 1HD2 LEU 99 1HD2 LEU 99 -9.677 3.046 3.389 793 2HD2 LEU 99 2HD2 LEU 99 -9.966 1.370 2.927 794 3HD2 LEU 99 3HD2 LEU 99 -9.028 2.426 1.872 795 H PHE 100 H PHE 100 -8.952 3.284 7.584 796 HA PHE 100 HA PHE 100 -9.935 5.766 6.567 797 1HB PHE 100 2HB PHE 100 -9.941 4.257 9.154 798 2HB PHE 100 1HB PHE 100 -10.496 5.931 9.170 799 HD1 PHE 100 1HD PHE 100 -12.842 5.611 9.499 800 HD2 PHE 100 2HD PHE 100 -10.797 3.543 6.338 801 HE1 PHE 100 1HE PHE 100 -15.022 4.901 8.554 802 HE2 PHE 100 2HE PHE 100 -12.977 2.831 5.393 803 HZ PHE 100 HZ PHE 100 -15.090 3.510 6.501 804 H ASP 101 H ASP 101 -7.272 5.002 8.792 805 HA ASP 101 HA ASP 101 -6.721 7.740 9.555 806 1HB ASP 101 2HB ASP 101 -5.321 5.075 9.657 807 2HB ASP 101 1HB ASP 101 -4.453 6.540 10.119 808 H PHE 102 H PHE 102 -5.801 5.702 6.850 809 HA PHE 102 HA PHE 102 -4.991 7.798 5.142 810 1HB PHE 102 2HB PHE 102 -2.558 7.764 5.409 811 2HB PHE 102 1HB PHE 102 -3.303 8.120 6.968 812 HD1 PHE 102 1HD PHE 102 -3.380 6.426 8.750 813 HD2 PHE 102 2HD PHE 102 -1.458 5.636 4.991 814 HE1 PHE 102 1HE PHE 102 -2.265 4.443 9.737 815 HE2 PHE 102 2HE PHE 102 -0.342 3.653 5.978 816 HZ PHE 102 HZ PHE 102 -0.745 3.057 8.351 817 H THR 103 H THR 103 -5.468 6.672 3.285 818 HA THR 103 HA THR 103 -4.045 4.089 2.814 819 HB THR 103 HB THR 103 -6.457 3.895 3.720 820 HG1 THR 103 1HG THR 103 -5.954 2.056 2.839 821 1HG2 THR 103 1HG2 THR 103 -7.036 5.793 1.903 822 2HG2 THR 103 2HG2 THR 103 -8.227 4.612 2.450 823 3HG2 THR 103 3HG2 THR 103 -7.370 4.361 0.929 824 H GLN 104 H GLN 104 -4.289 7.106 1.790 825 HA GLN 104 HA GLN 104 -4.582 6.445 -1.115 826 1HB GLN 104 2HB GLN 104 -5.031 8.844 -1.344 827 2HB GLN 104 1HB GLN 104 -6.060 8.172 -0.078 828 1HG GLN 104 2HG GLN 104 -3.386 9.240 0.721 829 2HG GLN 104 1HG GLN 104 -4.651 10.402 0.321 830 1HE2 GLN 104 1HE2 GLN 104 -5.284 11.108 2.405 831 2HE2 GLN 104 2HE2 GLN 104 -5.849 10.069 3.621 832 H THR 105 H THR 105 -3.011 7.529 -2.576 833 HA THR 105 HA THR 105 -0.301 7.687 -1.326 834 HB THR 105 HB THR 105 -1.081 6.099 -3.270 835 HG1 THR 105 1HG THR 105 1.151 6.865 -2.503 836 1HG2 THR 105 1HG2 THR 105 -0.292 8.448 -4.967 837 2HG2 THR 105 2HG2 THR 105 -1.975 8.249 -4.476 838 3HG2 THR 105 3HG2 THR 105 -1.178 6.993 -5.424 839 H ASP 106 H ASP 106 1.139 9.433 -2.103 840 HA ASP 106 HA ASP 106 -0.330 11.965 -2.503 841 1HB ASP 106 2HB ASP 106 2.401 11.041 -1.709 842 2HB ASP 106 1HB ASP 106 2.256 12.665 -2.382 843 H GLY 107 H GLY 107 0.664 9.615 -4.564 844 1HA GLY 107 2HA GLY 107 0.677 9.789 -6.953 845 2HA GLY 107 1HA GLY 107 0.912 11.531 -6.799 846 H SER 108 H SER 108 3.042 10.366 -4.659 847 HA SER 108 HA SER 108 5.331 10.812 -6.406 848 1HB SER 108 2HB SER 108 5.851 11.484 -4.283 849 2HB SER 108 1HB SER 108 4.703 10.368 -3.550 850 HG SER 108 HG SER 108 6.565 8.890 -4.645 851 H ALA 109 H ALA 109 7.152 9.135 -6.435 852 HA ALA 109 HA ALA 109 6.759 6.881 -7.846 853 1HB ALA 109 1HB ALA 109 8.428 7.034 -5.314 854 2HB ALA 109 2HB ALA 109 8.915 7.649 -6.893 855 3HB ALA 109 3HB ALA 109 8.695 5.916 -6.652 856 H SER 110 H SER 110 6.695 4.500 -7.092 857 HA SER 110 HA SER 110 4.463 4.195 -5.129 858 1HB SER 110 2HB SER 110 3.765 2.475 -6.497 859 2HB SER 110 1HB SER 110 4.704 3.372 -7.688 860 HG SER 110 HG SER 110 6.236 1.711 -6.165 861 HA PRO 111 HA PRO 111 8.021 2.700 -2.685 862 1HB PRO 111 2HB PRO 111 6.635 2.959 -0.295 863 2HB PRO 111 1HB PRO 111 7.628 4.234 -1.025 864 1HG PRO 111 2HG PRO 111 4.683 3.893 -1.031 865 2HG PRO 111 1HG PRO 111 5.653 5.373 -0.994 866 1HD PRO 111 2HD PRO 111 4.380 4.471 -3.224 867 2HD PRO 111 1HD PRO 111 5.864 5.448 -3.270 868 HA PRO 112 HA PRO 112 6.873 -1.470 -2.029 869 1HB PRO 112 2HB PRO 112 7.680 -1.311 0.823 870 2HB PRO 112 1HB PRO 112 8.311 -2.349 -0.470 871 1HG PRO 112 2HG PRO 112 9.687 -0.254 0.500 872 2HG PRO 112 1HG PRO 112 9.809 -0.785 -1.184 873 1HD PRO 112 2HD PRO 112 8.430 1.581 -0.049 874 2HD PRO 112 1HD PRO 112 9.179 1.358 -1.645 875 HA PRO 113 HA PRO 113 2.844 -1.832 -0.365 876 1HB PRO 113 2HB PRO 113 3.792 -4.145 1.265 877 2HB PRO 113 1HB PRO 113 2.441 -4.054 0.119 878 1HG PRO 113 2HG PRO 113 4.762 -5.267 -0.481 879 2HG PRO 113 1HG PRO 113 3.770 -4.445 -1.691 880 1HD PRO 113 2HD PRO 113 6.357 -3.640 -0.532 881 2HD PRO 113 1HD PRO 113 5.614 -3.180 -2.078 882 H ALA 114 H ALA 114 3.984 -3.406 2.495 883 HA ALA 114 HA ALA 114 3.101 -1.153 4.157 884 1HB ALA 114 1HB ALA 114 3.332 -2.747 5.928 885 2HB ALA 114 2HB ALA 114 4.473 -3.718 4.997 886 3HB ALA 114 3HB ALA 114 2.772 -3.670 4.534 887 HA PRO 115 HA PRO 115 7.432 0.199 4.018 888 1HB PRO 115 2HB PRO 115 6.872 2.843 4.404 889 2HB PRO 115 1HB PRO 115 6.766 2.062 2.814 890 1HG PRO 115 2HG PRO 115 4.604 2.826 4.692 891 2HG PRO 115 1HG PRO 115 4.614 2.809 2.924 892 1HD PRO 115 2HD PRO 115 3.444 0.880 4.532 893 2HD PRO 115 1HD PRO 115 3.900 0.656 2.829 894 H LYS 116 H LYS 116 8.502 -0.198 5.937 895 HA LYS 116 HA LYS 116 7.223 0.491 8.517 896 1HB LYS 116 2HB LYS 116 8.278 -1.699 8.168 897 2HB LYS 116 1HB LYS 116 9.803 -0.917 7.752 898 1HG LYS 116 2HG LYS 116 9.865 0.109 10.019 899 2HG LYS 116 1HG LYS 116 8.388 -0.764 10.430 900 1HD LYS 116 2HD LYS 116 11.119 -1.714 10.445 901 2HD LYS 116 1HD LYS 116 9.664 -2.517 11.037 902 1HE LYS 116 2HE LYS 116 10.261 -2.421 8.077 903 2HE LYS 116 1HE LYS 116 10.956 -3.685 9.111 904 1HZ LYS 116 1HZ LYS 116 8.116 -3.048 9.430 905 2HZ LYS 116 2HZ LYS 116 8.918 -4.534 9.621 906 H HIS 117 H HIS 117 7.447 2.886 8.080 907 HA HIS 117 HA HIS 117 10.221 3.828 8.735 908 1HB HIS 117 2HB HIS 117 8.676 4.238 6.418 909 2HB HIS 117 1HB HIS 117 8.572 5.753 7.315 910 HD1 HIS 117 1HD HIS 117 11.623 4.678 8.488 911 HD2 HIS 117 2HD HIS 117 10.442 5.971 4.705 912 HE1 HIS 117 1HE HIS 117 13.731 5.418 7.295 913 H HIS 118 H HIS 118 10.299 5.705 10.116 914 HA HIS 118 HA HIS 118 8.082 5.895 12.015 915 1HB HIS 118 2HB HIS 118 10.163 7.925 12.201 916 2HB HIS 118 1HB HIS 118 9.784 6.619 13.323 917 HD1 HIS 118 1HD HIS 118 10.641 4.133 12.355 918 HD2 HIS 118 2HD HIS 118 12.597 7.541 10.962 919 HE1 HIS 118 1HE HIS 118 12.858 3.351 11.413 920 H HIS 119 H HIS 119 6.453 7.407 11.942 921 HA HIS 119 HA HIS 119 6.097 9.153 9.698 922 1HB HIS 119 2HB HIS 119 4.644 8.150 11.863 923 2HB HIS 119 1HB HIS 119 4.660 9.895 12.128 924 HD1 HIS 119 1HD HIS 119 2.073 9.885 11.482 925 HD2 HIS 119 2HD HIS 119 4.668 8.816 8.398 926 HE1 HIS 119 1HE HIS 119 0.734 10.025 9.336 927 H ALA 120 H ALA 120 6.333 11.425 9.558 928 HA ALA 120 HA ALA 120 8.487 12.813 10.372 929 1HB ALA 120 1HB ALA 120 7.084 14.836 10.286 930 2HB ALA 120 2HB ALA 120 5.639 13.854 10.530 931 3HB ALA 120 3HB ALA 120 6.578 13.689 9.046 932 H SER 121 H SER 121 8.758 14.499 12.157 933 HA SER 121 HA SER 121 8.104 13.254 14.776 934 1HB SER 121 2HB SER 121 9.875 14.792 15.560 935 2HB SER 121 1HB SER 121 10.430 13.861 14.172 936 HG SER 121 HG SER 121 9.960 16.558 14.440 937 H LYS 122 H LYS 122 6.182 13.970 15.635 938 HA LYS 122 HA LYS 122 5.464 16.856 15.255 939 1HB LYS 122 2HB LYS 122 3.177 15.630 16.060 940 2HB LYS 122 1HB LYS 122 3.667 15.734 14.368 941 1HG LYS 122 2HG LYS 122 4.904 13.493 15.812 942 2HG LYS 122 1HG LYS 122 3.146 13.387 15.714 943 1HD LYS 122 2HD LYS 122 4.608 14.162 13.233 944 2HD LYS 122 1HD LYS 122 4.722 12.479 13.748 945 1HE LYS 122 2HE LYS 122 2.306 12.238 13.724 946 2HE LYS 122 1HE LYS 122 2.097 13.971 13.407 947 1HZ LYS 122 1HZ LYS 122 3.950 12.944 11.574 948 2HZ LYS 122 2HZ LYS 122 2.585 11.934 11.546 949 H VAL 123 H VAL 123 6.673 17.581 17.136 950 HA VAL 123 HA VAL 123 5.691 16.510 19.757 951 HB VAL 123 HB VAL 123 8.085 16.264 19.344 952 1HG1 VAL 123 1HG1 VAL 123 9.391 18.505 19.129 953 2HG1 VAL 123 2HG1 VAL 123 7.847 19.176 18.603 954 3HG1 VAL 123 3HG1 VAL 123 8.594 17.864 17.692 955 1HG2 VAL 123 1HG2 VAL 123 8.963 17.651 21.234 956 2HG2 VAL 123 2HG2 VAL 123 7.457 16.826 21.635 957 3HG2 VAL 123 3HG2 VAL 123 7.442 18.545 21.241 958 H ASP 124 H ASP 124 4.854 17.984 21.270 959 HA ASP 124 HA ASP 124 4.083 20.639 20.204 960 1HB ASP 124 2HB ASP 124 3.327 19.748 22.934 961 2HB ASP 124 1HB ASP 124 2.315 20.409 21.649 Start of MODEL 15 1 H SER 2 H SER 2 -9.069 -5.933 7.276 2 HA SER 2 HA SER 2 -6.206 -5.674 6.780 3 1HB SER 2 2HB SER 2 -8.755 -4.307 5.963 4 2HB SER 2 1HB SER 2 -7.213 -3.543 5.590 5 HG SER 2 HG SER 2 -7.261 -4.855 3.941 6 H ASN 3 H ASN 3 -5.156 -5.040 8.712 7 HA ASN 3 HA ASN 3 -6.173 -2.653 10.165 8 1HB ASN 3 2HB ASN 3 -3.999 -4.706 10.659 9 2HB ASN 3 1HB ASN 3 -4.321 -3.355 11.747 10 1HD2 ASN 3 1HD2 ASN 3 -5.136 -6.584 11.166 11 2HD2 ASN 3 2HD2 ASN 3 -6.592 -6.639 12.036 12 H GLN 4 H GLN 4 -3.551 -3.673 8.056 13 HA GLN 4 HA GLN 4 -2.303 -0.960 8.340 14 1HB GLN 4 2HB GLN 4 -1.241 -3.684 7.557 15 2HB GLN 4 1HB GLN 4 -0.295 -2.204 7.400 16 1HG GLN 4 2HG GLN 4 -1.323 -2.074 9.991 17 2HG GLN 4 1HG GLN 4 -0.883 -3.770 9.789 18 1HE2 GLN 4 1HE2 GLN 4 1.404 -3.900 8.458 19 2HE2 GLN 4 2HE2 GLN 4 2.620 -2.912 9.111 20 H ILE 5 H ILE 5 -1.682 0.127 6.399 21 HA ILE 5 HA ILE 5 -3.033 -0.878 3.915 22 HB ILE 5 HB ILE 5 -2.419 1.936 4.881 23 1HG1 ILE 5 2HG1 ILE 5 -5.162 1.637 4.621 24 2HG1 ILE 5 1HG1 ILE 5 -4.657 0.081 5.284 25 1HG2 ILE 5 1HG2 ILE 5 -2.688 1.147 2.288 26 2HG2 ILE 5 2HG2 ILE 5 -3.181 2.733 2.883 27 3HG2 ILE 5 3HG2 ILE 5 -4.374 1.445 2.712 28 1HD1 ILE 5 1HD1 ILE 5 -4.251 2.833 6.455 29 2HD1 ILE 5 2HD1 ILE 5 -3.271 1.461 6.971 30 3HD1 ILE 5 3HD1 ILE 5 -5.020 1.429 7.196 31 H TYR 6 H TYR 6 -1.654 -1.282 2.208 32 HA TYR 6 HA TYR 6 1.097 -0.109 2.337 33 1HB TYR 6 2HB TYR 6 0.856 -2.573 0.820 34 2HB TYR 6 1HB TYR 6 1.868 -2.236 2.224 35 HD1 TYR 6 1HD TYR 6 0.167 -1.750 4.422 36 HD2 TYR 6 2HD TYR 6 -0.473 -4.456 1.149 37 HE1 TYR 6 1HE TYR 6 -1.345 -3.109 5.841 38 HE2 TYR 6 2HE TYR 6 -1.985 -5.817 2.568 39 HH TYR 6 HH TYR 6 -2.392 -6.233 4.944 40 H SER 7 H SER 7 1.820 0.865 0.456 41 HA SER 7 HA SER 7 -0.121 1.068 -1.789 42 1HB SER 7 2HB SER 7 2.494 2.534 -1.555 43 2HB SER 7 1HB SER 7 0.982 3.080 -2.273 44 HG SER 7 HG SER 7 1.198 4.069 -0.291 45 H ALA 8 H ALA 8 0.517 0.591 -3.944 46 HA ALA 8 HA ALA 8 3.157 -0.684 -4.409 47 1HB ALA 8 1HB ALA 8 1.151 -2.373 -5.546 48 2HB ALA 8 2HB ALA 8 0.714 -2.083 -3.862 49 3HB ALA 8 3HB ALA 8 2.292 -2.764 -4.258 50 H ARG 9 H ARG 9 3.571 -0.956 -6.745 51 HA ARG 9 HA ARG 9 1.811 0.789 -8.440 52 1HB ARG 9 2HB ARG 9 3.693 1.964 -8.851 53 2HB ARG 9 1HB ARG 9 4.567 0.917 -7.731 54 1HG ARG 9 2HG ARG 9 5.757 0.607 -9.724 55 2HG ARG 9 1HG ARG 9 4.631 -0.751 -9.748 56 1HD ARG 9 2HD ARG 9 3.422 0.113 -11.502 57 2HD ARG 9 1HD ARG 9 3.652 1.789 -10.964 58 HE ARG 9 HE ARG 9 5.994 0.284 -12.030 59 1HH1 ARG 9 1HH1 ARG 9 3.677 2.834 -12.172 60 1HH2 ARG 9 1HH2 ARG 9 7.122 1.429 -13.619 61 2HH2 ARG 9 2HH2 ARG 9 6.482 2.926 -14.209 62 H TYR 10 H TYR 10 0.691 -0.528 -9.844 63 HA TYR 10 HA TYR 10 2.222 -2.611 -11.331 64 1HB TYR 10 2HB TYR 10 0.002 -2.943 -9.386 65 2HB TYR 10 1HB TYR 10 -0.118 -3.905 -10.860 66 HD1 TYR 10 1HD TYR 10 2.119 -3.084 -7.996 67 HD2 TYR 10 2HD TYR 10 1.269 -5.801 -11.213 68 HE1 TYR 10 1HE TYR 10 3.807 -4.666 -7.105 69 HE2 TYR 10 2HE TYR 10 2.957 -7.384 -10.321 70 HH TYR 10 HH TYR 10 5.267 -6.826 -8.594 71 H SER 11 H SER 11 1.199 -3.185 -13.362 72 HA SER 11 HA SER 11 0.016 -2.680 -15.342 73 1HB SER 11 2HB SER 11 -2.203 -2.888 -14.900 74 2HB SER 11 1HB SER 11 -1.715 -2.995 -13.211 75 HG SER 11 HG SER 11 -2.890 -0.920 -14.619 76 H GLY 12 H GLY 12 1.837 -0.610 -14.336 77 1HA GLY 12 2HA GLY 12 2.368 1.591 -14.979 78 2HA GLY 12 1HA GLY 12 0.888 1.607 -15.937 79 H VAL 13 H VAL 13 -0.359 0.686 -13.173 80 HA VAL 13 HA VAL 13 -0.561 3.459 -12.039 81 HB VAL 13 HB VAL 13 -2.612 1.384 -12.783 82 1HG1 VAL 13 1HG1 VAL 13 -2.857 2.049 -10.330 83 2HG1 VAL 13 2HG1 VAL 13 -4.255 2.378 -11.354 84 3HG1 VAL 13 3HG1 VAL 13 -3.165 3.688 -10.902 85 1HG2 VAL 13 1HG2 VAL 13 -3.760 3.522 -13.571 86 2HG2 VAL 13 2HG2 VAL 13 -2.264 3.112 -14.410 87 3HG2 VAL 13 3HG2 VAL 13 -2.264 4.367 -13.171 88 H ASP 14 H ASP 14 -0.303 3.558 -9.811 89 HA ASP 14 HA ASP 14 0.496 1.127 -8.395 90 1HB ASP 14 2HB ASP 14 0.138 3.379 -6.677 91 2HB ASP 14 1HB ASP 14 1.652 2.732 -7.310 92 H VAL 15 H VAL 15 -0.517 0.515 -6.314 93 HA VAL 15 HA VAL 15 -3.351 1.340 -5.944 94 HB VAL 15 HB VAL 15 -3.733 -1.275 -5.786 95 1HG1 VAL 15 1HG1 VAL 15 -3.884 0.677 -7.928 96 2HG1 VAL 15 2HG1 VAL 15 -5.003 -0.627 -7.531 97 3HG1 VAL 15 3HG1 VAL 15 -3.615 -0.941 -8.573 98 1HG2 VAL 15 1HG2 VAL 15 -1.641 -2.229 -6.104 99 2HG2 VAL 15 2HG2 VAL 15 -1.110 -0.950 -7.195 100 3HG2 VAL 15 3HG2 VAL 15 -2.217 -2.197 -7.770 101 H TYR 16 H TYR 16 -4.188 -0.044 -3.904 102 HA TYR 16 HA TYR 16 -1.952 -0.135 -1.906 103 1HB TYR 16 2HB TYR 16 -3.256 1.135 -0.482 104 2HB TYR 16 1HB TYR 16 -3.928 1.704 -2.011 105 HD1 TYR 16 1HD TYR 16 -4.358 -1.575 -0.261 106 HD2 TYR 16 2HD TYR 16 -6.224 2.046 -1.623 107 HE1 TYR 16 1HE TYR 16 -6.577 -2.480 0.375 108 HE2 TYR 16 2HE TYR 16 -8.444 1.141 -0.987 109 HH TYR 16 HH TYR 16 -8.844 -1.506 1.008 110 H GLU 17 H GLU 17 -1.937 -1.985 -0.589 111 HA GLU 17 HA GLU 17 -4.151 -3.956 -1.063 112 1HB GLU 17 2HB GLU 17 -2.019 -5.468 -0.332 113 2HB GLU 17 1HB GLU 17 -2.354 -5.029 -2.007 114 1HG GLU 17 2HG GLU 17 -0.641 -3.508 -2.096 115 2HG GLU 17 1HG GLU 17 -0.829 -3.043 -0.405 116 H PHE 18 H PHE 18 -5.266 -4.491 0.760 117 HA PHE 18 HA PHE 18 -3.883 -4.278 3.406 118 1HB PHE 18 2HB PHE 18 -6.756 -3.482 2.926 119 2HB PHE 18 1HB PHE 18 -5.705 -3.028 4.267 120 HD1 PHE 18 1HD PHE 18 -3.217 -2.411 2.614 121 HD2 PHE 18 2HD PHE 18 -7.336 -1.288 2.136 122 HE1 PHE 18 1HE PHE 18 -2.519 -0.376 1.381 123 HE2 PHE 18 2HE PHE 18 -6.638 0.747 0.901 124 HZ PHE 18 HZ PHE 18 -4.229 1.202 0.524 125 H ILE 19 H ILE 19 -4.350 -6.017 4.760 126 HA ILE 19 HA ILE 19 -5.776 -8.298 3.621 127 HB ILE 19 HB ILE 19 -4.142 -7.617 6.018 128 1HG1 ILE 19 2HG1 ILE 19 -2.690 -9.009 4.986 129 2HG1 ILE 19 1HG1 ILE 19 -3.908 -10.276 4.841 130 1HG2 ILE 19 1HG2 ILE 19 -4.767 -9.975 6.901 131 2HG2 ILE 19 2HG2 ILE 19 -6.227 -9.795 5.929 132 3HG2 ILE 19 3HG2 ILE 19 -5.886 -8.652 7.228 133 1HD1 ILE 19 1HD1 ILE 19 -3.628 -7.878 3.005 134 2HD1 ILE 19 2HD1 ILE 19 -4.862 -9.131 2.869 135 3HD1 ILE 19 3HD1 ILE 19 -3.164 -9.533 2.613 136 H HIS 20 H HIS 20 -7.878 -8.896 4.042 137 HA HIS 20 HA HIS 20 -9.280 -7.772 6.407 138 1HB HIS 20 2HB HIS 20 -9.379 -6.265 4.285 139 2HB HIS 20 1HB HIS 20 -10.466 -7.497 3.646 140 HD1 HIS 20 1HD HIS 20 -11.055 -7.584 7.125 141 HD2 HIS 20 2HD HIS 20 -12.166 -4.920 4.117 142 HE1 HIS 20 1HE HIS 20 -13.038 -6.283 8.015 143 H SER 21 H SER 21 -11.858 -8.524 5.018 144 HA SER 21 HA SER 21 -12.060 -11.242 5.933 145 1HB SER 21 2HB SER 21 -14.093 -10.145 5.904 146 2HB SER 21 1HB SER 21 -13.692 -9.232 4.452 147 HG SER 21 HG SER 21 -13.804 -11.913 4.001 148 H THR 22 H THR 22 -11.396 -9.789 2.781 149 HA THR 22 HA THR 22 -11.448 -12.447 1.451 150 HB THR 22 HB THR 22 -12.460 -10.817 0.119 151 HG1 THR 22 1HG THR 22 -11.180 -11.087 -1.500 152 1HG2 THR 22 1HG2 THR 22 -12.049 -8.914 1.557 153 2HG2 THR 22 2HG2 THR 22 -11.532 -8.490 -0.076 154 3HG2 THR 22 3HG2 THR 22 -10.334 -8.921 1.144 155 H GLY 23 H GLY 23 -9.340 -11.241 3.453 156 1HA GLY 23 2HA GLY 23 -7.056 -11.971 3.663 157 2HA GLY 23 1HA GLY 23 -7.001 -12.218 1.915 158 H SER 24 H SER 24 -6.168 -10.585 0.663 159 HA SER 24 HA SER 24 -5.347 -8.081 2.061 160 1HB SER 24 2HB SER 24 -3.503 -8.214 0.718 161 2HB SER 24 1HB SER 24 -4.012 -9.884 0.483 162 HG SER 24 HG SER 24 -4.524 -9.410 -1.498 163 H ILE 25 H ILE 25 -5.934 -6.043 1.213 164 HA ILE 25 HA ILE 25 -8.093 -6.100 -0.869 165 HB ILE 25 HB ILE 25 -7.579 -4.102 1.358 166 1HG1 ILE 25 2HG1 ILE 25 -8.279 -5.850 2.656 167 2HG1 ILE 25 1HG1 ILE 25 -9.870 -5.403 2.042 168 1HG2 ILE 25 1HG2 ILE 25 -9.108 -2.881 0.240 169 2HG2 ILE 25 2HG2 ILE 25 -10.283 -4.156 0.563 170 3HG2 ILE 25 3HG2 ILE 25 -9.349 -4.175 -0.933 171 1HD1 ILE 25 1HD1 ILE 25 -10.047 -7.319 0.864 172 2HD1 ILE 25 2HD1 ILE 25 -8.628 -7.887 1.744 173 3HD1 ILE 25 3HD1 ILE 25 -8.440 -7.115 0.169 174 H MET 26 H MET 26 -7.546 -5.091 -2.756 175 HA MET 26 HA MET 26 -5.147 -3.322 -2.792 176 1HB MET 26 2HB MET 26 -5.798 -5.457 -4.286 177 2HB MET 26 1HB MET 26 -6.592 -4.211 -5.249 178 1HG MET 26 2HG MET 26 -4.566 -3.055 -5.637 179 2HG MET 26 1HG MET 26 -3.739 -3.890 -4.322 180 1HE MET 26 1HE MET 26 -1.693 -4.738 -7.043 181 2HE MET 26 2HE MET 26 -2.619 -3.283 -6.683 182 3HE MET 26 3HE MET 26 -2.930 -4.169 -8.173 183 H LYS 27 H LYS 27 -5.337 -1.436 -4.395 184 HA LYS 27 HA LYS 27 -8.078 -0.328 -4.676 185 1HB LYS 27 2HB LYS 27 -7.669 0.605 -2.595 186 2HB LYS 27 1HB LYS 27 -5.920 0.603 -2.826 187 1HG LYS 27 2HG LYS 27 -5.930 2.598 -3.994 188 2HG LYS 27 1HG LYS 27 -7.566 2.353 -4.606 189 1HD LYS 27 2HD LYS 27 -8.296 3.727 -2.978 190 2HD LYS 27 1HD LYS 27 -7.842 2.482 -1.813 191 1HE LYS 27 2HE LYS 27 -5.575 3.435 -1.646 192 2HE LYS 27 1HE LYS 27 -6.004 4.676 -2.839 193 1HZ LYS 27 1HZ LYS 27 -8.030 4.558 -0.913 194 2HZ LYS 27 2HZ LYS 27 -6.549 4.677 -0.090 195 H ARG 28 H ARG 28 -8.191 1.264 -6.330 196 HA ARG 28 HA ARG 28 -5.932 1.270 -8.222 197 1HB ARG 28 2HB ARG 28 -8.766 1.491 -8.258 198 2HB ARG 28 1HB ARG 28 -8.129 2.995 -8.926 199 1HG ARG 28 2HG ARG 28 -8.248 1.584 -10.807 200 2HG ARG 28 1HG ARG 28 -6.560 1.455 -10.314 201 1HD ARG 28 2HD ARG 28 -6.862 -0.691 -9.388 202 2HD ARG 28 1HD ARG 28 -8.618 -0.480 -9.243 203 HE ARG 28 HE ARG 28 -7.177 -1.213 -11.693 204 1HH1 ARG 28 1HH1 ARG 28 -9.984 0.160 -10.239 205 1HH2 ARG 28 1HH2 ARG 28 -8.494 -1.626 -13.483 206 2HH2 ARG 28 2HH2 ARG 28 -10.161 -1.161 -13.440 207 H LYS 29 H LYS 29 -4.494 2.948 -8.430 208 HA LYS 29 HA LYS 29 -4.431 5.132 -6.553 209 1HB LYS 29 2HB LYS 29 -2.992 4.408 -9.099 210 2HB LYS 29 1HB LYS 29 -2.617 5.892 -8.222 211 1HG LYS 29 2HG LYS 29 -2.763 3.525 -6.491 212 2HG LYS 29 1HG LYS 29 -1.491 3.425 -7.708 213 1HD LYS 29 2HD LYS 29 -0.290 4.632 -6.191 214 2HD LYS 29 1HD LYS 29 -1.177 5.997 -6.871 215 1HE LYS 29 2HE LYS 29 -2.006 4.388 -4.427 216 2HE LYS 29 1HE LYS 29 -1.371 6.045 -4.422 217 1HZ LYS 29 1HZ LYS 29 -3.331 6.080 -6.315 218 2HZ LYS 29 2HZ LYS 29 -3.469 6.692 -4.737 219 H LYS 30 H LYS 30 -5.419 4.887 -9.964 220 HA LYS 30 HA LYS 30 -5.745 7.519 -10.734 221 1HB LYS 30 2HB LYS 30 -7.326 4.998 -11.125 222 2HB LYS 30 1HB LYS 30 -7.935 6.502 -11.816 223 1HG LYS 30 2HG LYS 30 -5.065 6.083 -12.282 224 2HG LYS 30 1HG LYS 30 -6.084 4.846 -13.018 225 1HD LYS 30 2HD LYS 30 -5.991 7.791 -13.556 226 2HD LYS 30 1HD LYS 30 -6.102 6.449 -14.695 227 1HE LYS 30 2HE LYS 30 -8.435 6.267 -13.121 228 2HE LYS 30 1HE LYS 30 -8.252 7.989 -13.514 229 1HZ LYS 30 1HZ LYS 30 -9.249 6.193 -15.222 230 2HZ LYS 30 2HZ LYS 30 -8.449 7.610 -15.710 231 H ASP 31 H ASP 31 -8.455 5.695 -9.247 232 HA ASP 31 HA ASP 31 -9.411 8.293 -8.086 233 1HB ASP 31 2HB ASP 31 -10.691 6.966 -9.927 234 2HB ASP 31 1HB ASP 31 -11.092 5.847 -8.625 235 H ASP 32 H ASP 32 -7.627 5.908 -7.039 236 HA ASP 32 HA ASP 32 -7.353 4.784 -4.975 237 1HB ASP 32 2HB ASP 32 -9.327 6.756 -3.855 238 2HB ASP 32 1HB ASP 32 -7.801 6.202 -3.166 239 H TRP 33 H TRP 33 -9.175 3.468 -6.562 240 HA TRP 33 HA TRP 33 -11.777 3.129 -5.320 241 1HB TRP 33 2HB TRP 33 -10.291 1.214 -7.135 242 2HB TRP 33 1HB TRP 33 -12.034 1.447 -7.007 243 HD1 TRP 33 HD TRP 33 -8.937 3.600 -7.900 244 HE1 TRP 33 1HE TRP 33 -9.605 5.204 -9.804 245 HE3 TRP 33 3HE TRP 33 -13.861 2.350 -8.418 246 HZ2 TRP 33 2HZ TRP 33 -11.922 5.870 -11.343 247 HZ3 TRP 33 3HZ TRP 33 -15.273 3.484 -10.109 248 HH2 TRP 33 HH TRP 33 -14.312 5.240 -11.571 249 H VAL 34 H VAL 34 -12.481 1.126 -4.236 250 HA VAL 34 HA VAL 34 -10.251 -0.352 -2.878 251 HB VAL 34 HB VAL 34 -12.824 0.098 -1.456 252 1HG1 VAL 34 1HG1 VAL 34 -11.480 -0.532 0.235 253 2HG1 VAL 34 2HG1 VAL 34 -10.482 0.899 -0.026 254 3HG1 VAL 34 3HG1 VAL 34 -10.113 -0.601 -0.878 255 1HG2 VAL 34 1HG2 VAL 34 -11.068 2.294 -2.447 256 2HG2 VAL 34 2HG2 VAL 34 -11.620 2.405 -0.776 257 3HG2 VAL 34 3HG2 VAL 34 -12.795 2.312 -2.087 258 H ASN 35 H ASN 35 -10.652 -2.590 -2.583 259 HA ASN 35 HA ASN 35 -12.425 -3.899 -4.402 260 1HB ASN 35 2HB ASN 35 -11.683 -5.899 -3.219 261 2HB ASN 35 1HB ASN 35 -10.320 -4.786 -3.351 262 1HD2 ASN 35 1HD2 ASN 35 -10.886 -6.890 -1.240 263 2HD2 ASN 35 2HD2 ASN 35 -10.860 -6.048 0.234 264 H ALA 36 H ALA 36 -14.611 -3.284 -4.128 265 HA ALA 36 HA ALA 36 -16.119 -2.746 -1.899 266 1HB ALA 36 1HB ALA 36 -17.662 -4.552 -3.433 267 2HB ALA 36 2HB ALA 36 -16.511 -3.827 -4.556 268 3HB ALA 36 3HB ALA 36 -17.590 -2.799 -3.614 269 H THR 37 H THR 37 -14.739 -5.874 -2.737 270 HA THR 37 HA THR 37 -16.340 -7.569 -1.097 271 HB THR 37 HB THR 37 -13.368 -7.736 -1.698 272 HG1 THR 37 1HG THR 37 -14.641 -9.199 -3.372 273 1HG2 THR 37 1HG2 THR 37 -15.033 -10.161 -1.675 274 2HG2 THR 37 2HG2 THR 37 -14.916 -9.359 -0.109 275 3HG2 THR 37 3HG2 THR 37 -13.453 -9.874 -0.947 276 H HIS 38 H HIS 38 -13.362 -5.745 -0.349 277 HA HIS 38 HA HIS 38 -13.175 -6.594 2.402 278 1HB HIS 38 2HB HIS 38 -11.240 -5.447 2.136 279 2HB HIS 38 1HB HIS 38 -11.786 -4.979 0.525 280 HD1 HIS 38 1HD HIS 38 -10.920 -2.561 0.638 281 HD2 HIS 38 2HD HIS 38 -13.517 -3.517 3.756 282 HE1 HIS 38 1HE HIS 38 -11.489 -0.379 1.791 283 H ILE 39 H ILE 39 -14.985 -4.121 0.713 284 HA ILE 39 HA ILE 39 -15.844 -2.776 3.203 285 HB ILE 39 HB ILE 39 -16.008 -2.390 0.246 286 1HG1 ILE 39 2HG1 ILE 39 -15.780 0.049 1.576 287 2HG1 ILE 39 1HG1 ILE 39 -14.904 -1.079 2.612 288 1HG2 ILE 39 1HG2 ILE 39 -17.765 -0.683 1.963 289 2HG2 ILE 39 2HG2 ILE 39 -18.373 -2.258 1.451 290 3HG2 ILE 39 3HG2 ILE 39 -17.901 -1.061 0.246 291 1HD1 ILE 39 1HD1 ILE 39 -13.469 -0.049 0.828 292 2HD1 ILE 39 2HD1 ILE 39 -14.480 -0.844 -0.380 293 3HD1 ILE 39 3HD1 ILE 39 -13.530 -1.810 0.749 294 H LEU 40 H LEU 40 -17.399 -4.454 0.449 295 HA LEU 40 HA LEU 40 -19.893 -4.794 2.009 296 1HB LEU 40 2HB LEU 40 -19.003 -4.750 -0.769 297 2HB LEU 40 1HB LEU 40 -20.072 -6.118 -0.453 298 HG LEU 40 HG LEU 40 -21.387 -4.152 -1.114 299 1HD1 LEU 40 1HD1 LEU 40 -21.568 -5.367 1.585 300 2HD1 LEU 40 2HD1 LEU 40 -22.772 -5.297 0.298 301 3HD1 LEU 40 3HD1 LEU 40 -22.518 -3.901 1.344 302 1HD2 LEU 40 1HD2 LEU 40 -21.292 -2.085 0.052 303 2HD2 LEU 40 2HD2 LEU 40 -19.604 -2.550 -0.158 304 3HD2 LEU 40 3HD2 LEU 40 -20.399 -2.793 1.398 305 H LYS 41 H LYS 41 -17.541 -6.891 0.294 306 HA LYS 41 HA LYS 41 -18.632 -9.376 1.255 307 1HB LYS 41 2HB LYS 41 -16.061 -8.401 0.035 308 2HB LYS 41 1HB LYS 41 -16.167 -10.061 0.621 309 1HG LYS 41 2HG LYS 41 -16.970 -9.217 -1.878 310 2HG LYS 41 1HG LYS 41 -17.511 -10.698 -1.089 311 1HD LYS 41 2HD LYS 41 -19.542 -9.664 -1.614 312 2HD LYS 41 1HD LYS 41 -19.279 -9.131 0.048 313 1HE LYS 41 2HE LYS 41 -18.921 -6.953 -0.576 314 2HE LYS 41 1HE LYS 41 -18.061 -7.418 -2.058 315 1HZ LYS 41 1HZ LYS 41 -20.808 -8.265 -2.003 316 2HZ LYS 41 2HZ LYS 41 -20.638 -6.576 -1.958 317 H ALA 42 H ALA 42 -16.466 -7.013 2.627 318 HA ALA 42 HA ALA 42 -15.197 -8.667 4.615 319 1HB ALA 42 1HB ALA 42 -15.660 -5.771 4.060 320 2HB ALA 42 2HB ALA 42 -14.143 -6.630 4.325 321 3HB ALA 42 3HB ALA 42 -15.166 -6.202 5.698 322 H ALA 43 H ALA 43 -18.351 -7.197 4.372 323 HA ALA 43 HA ALA 43 -18.941 -8.043 7.192 324 1HB ALA 43 1HB ALA 43 -20.852 -6.176 6.433 325 2HB ALA 43 2HB ALA 43 -19.386 -5.594 5.643 326 3HB ALA 43 3HB ALA 43 -19.411 -5.830 7.391 327 H ASN 44 H ASN 44 -19.394 -9.038 4.098 328 HA ASN 44 HA ASN 44 -22.028 -10.270 4.777 329 1HB ASN 44 2HB ASN 44 -22.960 -9.559 2.685 330 2HB ASN 44 1HB ASN 44 -22.196 -8.131 3.384 331 1HD2 ASN 44 1HD2 ASN 44 -21.053 -6.998 1.817 332 2HD2 ASN 44 2HD2 ASN 44 -20.185 -7.701 0.540 333 H PHE 45 H PHE 45 -19.000 -11.021 4.289 334 HA PHE 45 HA PHE 45 -17.816 -12.755 3.168 335 1HB PHE 45 2HB PHE 45 -19.424 -13.777 4.856 336 2HB PHE 45 1HB PHE 45 -20.520 -14.082 3.509 337 HD1 PHE 45 1HD PHE 45 -19.794 -15.564 1.618 338 HD2 PHE 45 2HD PHE 45 -17.482 -15.130 5.212 339 HE1 PHE 45 1HE PHE 45 -18.535 -17.626 1.058 340 HE2 PHE 45 2HE PHE 45 -16.223 -17.192 4.651 341 HZ PHE 45 HZ PHE 45 -16.749 -18.440 2.573 342 H ALA 46 H ALA 46 -17.616 -13.903 1.125 343 HA ALA 46 HA ALA 46 -19.201 -12.681 -1.043 344 1HB ALA 46 1HB ALA 46 -16.906 -14.673 -1.034 345 2HB ALA 46 2HB ALA 46 -16.730 -12.920 -1.120 346 3HB ALA 46 3HB ALA 46 -17.498 -13.794 -2.445 347 H LYS 47 H LYS 47 -21.233 -13.644 -0.961 348 HA LYS 47 HA LYS 47 -21.366 -16.476 -1.861 349 1HB LYS 47 2HB LYS 47 -22.058 -15.401 0.764 350 2HB LYS 47 1HB LYS 47 -23.450 -16.163 -0.008 351 1HG LYS 47 2HG LYS 47 -22.085 -18.190 -0.435 352 2HG LYS 47 1HG LYS 47 -20.726 -17.434 0.399 353 1HD LYS 47 2HD LYS 47 -21.635 -18.605 2.168 354 2HD LYS 47 1HD LYS 47 -22.563 -17.112 2.311 355 1HE LYS 47 2HE LYS 47 -24.500 -18.196 1.847 356 2HE LYS 47 1HE LYS 47 -23.793 -18.946 0.401 357 1HZ LYS 47 1HZ LYS 47 -23.122 -20.757 1.545 358 2HZ LYS 47 2HZ LYS 47 -22.785 -19.884 2.963 359 H ALA 48 H ALA 48 -24.153 -16.702 -1.925 360 HA ALA 48 HA ALA 48 -24.923 -15.254 -4.220 361 1HB ALA 48 1HB ALA 48 -26.031 -17.250 -3.037 362 2HB ALA 48 2HB ALA 48 -27.137 -16.033 -3.674 363 3HB ALA 48 3HB ALA 48 -26.766 -16.071 -1.951 364 H LYS 49 H LYS 49 -24.822 -14.322 -0.861 365 HA LYS 49 HA LYS 49 -26.485 -11.964 -1.028 366 1HB LYS 49 2HB LYS 49 -24.806 -13.390 0.847 367 2HB LYS 49 1HB LYS 49 -24.458 -11.662 0.934 368 1HG LYS 49 2HG LYS 49 -27.314 -12.594 0.865 369 2HG LYS 49 1HG LYS 49 -26.412 -12.658 2.381 370 1HD LYS 49 2HD LYS 49 -25.751 -10.177 1.692 371 2HD LYS 49 1HD LYS 49 -27.256 -10.277 0.778 372 1HE LYS 49 2HE LYS 49 -28.035 -11.344 3.182 373 2HE LYS 49 1HE LYS 49 -26.853 -10.126 3.700 374 1HZ LYS 49 1HZ LYS 49 -28.021 -8.691 1.904 375 2HZ LYS 49 2HZ LYS 49 -29.315 -9.769 2.123 376 H ARG 50 H ARG 50 -22.922 -12.448 -1.100 377 HA ARG 50 HA ARG 50 -22.221 -9.733 -1.624 378 1HB ARG 50 2HB ARG 50 -20.391 -10.983 -1.036 379 2HB ARG 50 1HB ARG 50 -21.024 -12.442 -1.800 380 1HG ARG 50 2HG ARG 50 -20.556 -10.643 -3.912 381 2HG ARG 50 1HG ARG 50 -19.149 -10.502 -2.857 382 1HD ARG 50 2HD ARG 50 -18.549 -12.747 -3.134 383 2HD ARG 50 1HD ARG 50 -20.199 -13.234 -3.569 384 HE ARG 50 HE ARG 50 -19.522 -11.434 -5.553 385 1HH1 ARG 50 1HH1 ARG 50 -18.095 -14.265 -4.199 386 1HH2 ARG 50 1HH2 ARG 50 -18.509 -12.034 -7.483 387 2HH2 ARG 50 2HH2 ARG 50 -17.548 -13.474 -7.530 388 H THR 51 H THR 51 -23.457 -12.271 -3.711 389 HA THR 51 HA THR 51 -22.611 -11.159 -6.235 390 HB THR 51 HB THR 51 -24.994 -12.891 -5.482 391 HG1 THR 51 1HG THR 51 -22.353 -13.556 -6.276 392 1HG2 THR 51 1HG2 THR 51 -24.455 -11.701 -7.905 393 2HG2 THR 51 2HG2 THR 51 -25.388 -13.183 -7.693 394 3HG2 THR 51 3HG2 THR 51 -23.669 -13.271 -8.077 395 H ARG 52 H ARG 52 -25.453 -10.722 -4.156 396 HA ARG 52 HA ARG 52 -26.694 -8.837 -6.080 397 1HB ARG 52 2HB ARG 52 -27.686 -10.671 -4.358 398 2HB ARG 52 1HB ARG 52 -27.717 -9.252 -3.311 399 1HG ARG 52 2HG ARG 52 -28.867 -8.037 -5.259 400 2HG ARG 52 1HG ARG 52 -29.102 -9.635 -5.969 401 1HD ARG 52 2HD ARG 52 -29.916 -9.932 -3.298 402 2HD ARG 52 1HD ARG 52 -30.587 -8.372 -3.812 403 HE ARG 52 HE ARG 52 -31.014 -10.106 -5.969 404 1HH1 ARG 52 1HH1 ARG 52 -31.813 -9.924 -2.620 405 1HH2 ARG 52 1HH2 ARG 52 -32.967 -11.218 -6.216 406 2HH2 ARG 52 2HH2 ARG 52 -33.965 -11.507 -4.830 407 H ILE 53 H ILE 53 -26.038 -8.664 -2.573 408 HA ILE 53 HA ILE 53 -26.106 -5.915 -2.193 409 HB ILE 53 HB ILE 53 -25.392 -8.114 -0.745 410 1HG1 ILE 53 2HG1 ILE 53 -24.608 -5.311 0.090 411 2HG1 ILE 53 1HG1 ILE 53 -26.290 -5.831 -0.014 412 1HG2 ILE 53 1HG2 ILE 53 -22.897 -6.600 -1.477 413 2HG2 ILE 53 2HG2 ILE 53 -23.146 -8.343 -1.375 414 3HG2 ILE 53 3HG2 ILE 53 -23.025 -7.381 0.099 415 1HD1 ILE 53 1HD1 ILE 53 -25.354 -7.873 1.435 416 2HD1 ILE 53 2HD1 ILE 53 -25.881 -6.369 2.191 417 3HD1 ILE 53 3HD1 ILE 53 -24.164 -6.661 1.911 418 H LEU 54 H LEU 54 -23.255 -7.812 -3.258 419 HA LEU 54 HA LEU 54 -21.537 -5.517 -3.643 420 1HB LEU 54 2HB LEU 54 -21.057 -8.079 -3.416 421 2HB LEU 54 1HB LEU 54 -21.366 -8.125 -5.153 422 HG LEU 54 HG LEU 54 -19.534 -6.743 -5.646 423 1HD1 LEU 54 1HD1 LEU 54 -19.459 -4.855 -4.387 424 2HD1 LEU 54 2HD1 LEU 54 -18.393 -5.779 -3.328 425 3HD1 LEU 54 3HD1 LEU 54 -20.117 -5.671 -2.968 426 1HD2 LEU 54 1HD2 LEU 54 -18.838 -8.970 -4.762 427 2HD2 LEU 54 2HD2 LEU 54 -18.678 -8.256 -3.158 428 3HD2 LEU 54 3HD2 LEU 54 -17.625 -7.725 -4.469 429 H GLU 55 H GLU 55 -23.294 -7.591 -5.945 430 HA GLU 55 HA GLU 55 -22.801 -6.201 -8.336 431 1HB GLU 55 2HB GLU 55 -24.762 -8.072 -7.228 432 2HB GLU 55 1HB GLU 55 -25.444 -7.057 -8.496 433 1HG GLU 55 2HG GLU 55 -23.039 -7.706 -9.606 434 2HG GLU 55 1HG GLU 55 -23.384 -9.168 -8.680 435 H LYS 56 H LYS 56 -25.506 -5.668 -6.038 436 HA LYS 56 HA LYS 56 -26.546 -3.363 -7.457 437 1HB LYS 56 2HB LYS 56 -28.127 -4.350 -6.087 438 2HB LYS 56 1HB LYS 56 -26.936 -4.787 -4.861 439 1HG LYS 56 2HG LYS 56 -27.201 -1.892 -5.177 440 2HG LYS 56 1HG LYS 56 -28.714 -2.661 -4.698 441 1HD LYS 56 2HD LYS 56 -26.227 -3.528 -3.294 442 2HD LYS 56 1HD LYS 56 -26.880 -1.939 -2.891 443 1HE LYS 56 2HE LYS 56 -29.106 -3.692 -2.978 444 2HE LYS 56 1HE LYS 56 -27.842 -4.526 -2.052 445 1HZ LYS 56 1HZ LYS 56 -29.408 -2.492 -1.123 446 2HZ LYS 56 2HZ LYS 56 -27.956 -3.025 -0.423 447 H GLU 57 H GLU 57 -24.182 -3.858 -4.890 448 HA GLU 57 HA GLU 57 -23.956 -1.024 -4.201 449 1HB GLU 57 2HB GLU 57 -23.490 -2.814 -2.596 450 2HB GLU 57 1HB GLU 57 -22.245 -3.475 -3.657 451 1HG GLU 57 2HG GLU 57 -21.765 -1.688 -1.630 452 2HG GLU 57 1HG GLU 57 -20.713 -1.918 -3.027 453 H VAL 58 H VAL 58 -21.858 -3.376 -5.910 454 HA VAL 58 HA VAL 58 -20.059 -1.268 -6.862 455 HB VAL 58 HB VAL 58 -19.576 -3.608 -8.286 456 1HG1 VAL 58 1HG1 VAL 58 -18.110 -2.080 -6.761 457 2HG1 VAL 58 2HG1 VAL 58 -17.683 -3.785 -6.906 458 3HG1 VAL 58 3HG1 VAL 58 -18.552 -3.211 -5.482 459 1HG2 VAL 58 1HG2 VAL 58 -19.769 -5.353 -6.444 460 2HG2 VAL 58 2HG2 VAL 58 -21.299 -4.858 -7.168 461 3HG2 VAL 58 3HG2 VAL 58 -20.822 -4.222 -5.594 462 H LEU 59 H LEU 59 -22.586 -3.358 -8.280 463 HA LEU 59 HA LEU 59 -22.364 -2.721 -10.993 464 1HB LEU 59 2HB LEU 59 -23.962 -4.322 -10.062 465 2HB LEU 59 1HB LEU 59 -24.826 -3.020 -9.241 466 HG LEU 59 HG LEU 59 -25.849 -3.804 -11.444 467 1HD1 LEU 59 1HD1 LEU 59 -26.732 -1.710 -11.730 468 2HD1 LEU 59 2HD1 LEU 59 -25.146 -0.943 -11.816 469 3HD1 LEU 59 3HD1 LEU 59 -25.835 -1.370 -10.250 470 1HD2 LEU 59 1HD2 LEU 59 -24.789 -3.205 -13.489 471 2HD2 LEU 59 2HD2 LEU 59 -23.512 -3.939 -12.519 472 3HD2 LEU 59 3HD2 LEU 59 -23.608 -2.184 -12.667 473 H LYS 60 H LYS 60 -24.088 -0.865 -8.465 474 HA LYS 60 HA LYS 60 -24.846 1.291 -10.264 475 1HB LYS 60 2HB LYS 60 -25.595 0.384 -7.795 476 2HB LYS 60 1HB LYS 60 -24.605 1.774 -7.349 477 1HG LYS 60 2HG LYS 60 -26.566 2.909 -7.678 478 2HG LYS 60 1HG LYS 60 -26.038 2.871 -9.361 479 1HD LYS 60 2HD LYS 60 -27.664 1.405 -9.964 480 2HD LYS 60 1HD LYS 60 -27.468 0.444 -8.498 481 1HE LYS 60 2HE LYS 60 -28.930 1.811 -7.252 482 2HE LYS 60 1HE LYS 60 -28.760 3.172 -8.380 483 1HZ LYS 60 1HZ LYS 60 -29.795 0.571 -9.311 484 2HZ LYS 60 2HZ LYS 60 -30.015 2.111 -9.992 485 H GLU 61 H GLU 61 -21.961 0.362 -8.727 486 HA GLU 61 HA GLU 61 -20.828 3.132 -8.907 487 1HB GLU 61 2HB GLU 61 -20.608 0.863 -7.061 488 2HB GLU 61 1HB GLU 61 -19.037 1.506 -7.540 489 1HG GLU 61 2HG GLU 61 -21.332 3.004 -6.257 490 2HG GLU 61 1HG GLU 61 -19.708 2.759 -5.612 491 H THR 62 H THR 62 -18.104 1.909 -8.795 492 HA THR 62 HA THR 62 -17.940 1.027 -11.656 493 HB THR 62 HB THR 62 -15.448 1.947 -10.596 494 HG1 THR 62 1HG THR 62 -17.363 3.955 -10.320 495 1HG2 THR 62 1HG2 THR 62 -16.413 2.088 -12.947 496 2HG2 THR 62 2HG2 THR 62 -15.618 3.550 -12.365 497 3HG2 THR 62 3HG2 THR 62 -17.378 3.449 -12.375 498 H HIS 63 H HIS 63 -18.475 -1.090 -10.107 499 HA HIS 63 HA HIS 63 -16.330 -2.306 -8.662 500 1HB HIS 63 2HB HIS 63 -18.057 -3.723 -8.323 501 2HB HIS 63 1HB HIS 63 -18.980 -2.881 -9.568 502 HD1 HIS 63 1HD HIS 63 -17.999 -3.632 -12.149 503 HD2 HIS 63 2HD HIS 63 -17.741 -6.368 -9.015 504 HE1 HIS 63 1HE HIS 63 -17.742 -5.916 -13.212 505 H GLU 64 H GLU 64 -14.419 -3.125 -9.438 506 HA GLU 64 HA GLU 64 -14.316 -3.985 -12.312 507 1HB GLU 64 2HB GLU 64 -12.654 -2.102 -10.687 508 2HB GLU 64 1HB GLU 64 -11.835 -3.068 -11.915 509 1HG GLU 64 2HG GLU 64 -12.653 -1.772 -13.564 510 2HG GLU 64 1HG GLU 64 -14.301 -1.993 -12.977 511 H LYS 65 H LYS 65 -13.170 -5.893 -12.681 512 HA LYS 65 HA LYS 65 -12.228 -7.365 -10.261 513 1HB LYS 65 2HB LYS 65 -12.429 -8.623 -12.955 514 2HB LYS 65 1HB LYS 65 -12.945 -9.245 -11.387 515 1HG LYS 65 2HG LYS 65 -15.033 -8.404 -11.618 516 2HG LYS 65 1HG LYS 65 -14.432 -6.859 -12.220 517 1HD LYS 65 2HD LYS 65 -14.183 -7.735 -14.449 518 2HD LYS 65 1HD LYS 65 -14.512 -9.378 -13.898 519 1HE LYS 65 2HE LYS 65 -16.812 -8.753 -13.303 520 2HE LYS 65 1HE LYS 65 -16.494 -7.074 -13.786 521 1HZ LYS 65 1HZ LYS 65 -17.216 -9.201 -15.436 522 2HZ LYS 65 2HZ LYS 65 -16.803 -7.621 -15.900 523 H VAL 66 H VAL 66 -10.062 -7.964 -10.075 524 HA VAL 66 HA VAL 66 -8.164 -6.766 -11.998 525 HB VAL 66 HB VAL 66 -7.610 -6.422 -9.735 526 1HG1 VAL 66 1HG1 VAL 66 -9.258 -7.980 -8.793 527 2HG1 VAL 66 2HG1 VAL 66 -7.682 -8.245 -8.049 528 3HG1 VAL 66 3HG1 VAL 66 -8.267 -9.352 -9.291 529 1HG2 VAL 66 1HG2 VAL 66 -5.475 -7.133 -9.916 530 2HG2 VAL 66 2HG2 VAL 66 -5.976 -8.105 -11.299 531 3HG2 VAL 66 3HG2 VAL 66 -5.966 -8.811 -9.684 532 H GLN 67 H GLN 67 -6.983 -7.948 -13.472 533 HA GLN 67 HA GLN 67 -6.897 -10.919 -13.213 534 1HB GLN 67 2HB GLN 67 -7.502 -10.965 -15.695 535 2HB GLN 67 1HB GLN 67 -8.809 -10.494 -14.606 536 1HG GLN 67 2HG GLN 67 -7.357 -8.134 -15.264 537 2HG GLN 67 1HG GLN 67 -7.675 -8.994 -16.769 538 1HE2 GLN 67 1HE2 GLN 67 -9.336 -7.782 -13.820 539 2HE2 GLN 67 2HE2 GLN 67 -10.847 -7.585 -14.568 540 H GLY 68 H GLY 68 -4.914 -11.737 -13.874 541 1HA GLY 68 2HA GLY 68 -2.894 -11.775 -15.178 542 2HA GLY 68 1HA GLY 68 -3.183 -10.092 -15.625 543 H GLY 69 H GLY 69 -3.782 -10.224 -12.398 544 1HA GLY 69 2HA GLY 69 -2.268 -10.157 -10.490 545 2HA GLY 69 1HA GLY 69 -0.930 -9.886 -11.608 546 H PHE 70 H PHE 70 -3.557 -8.042 -12.571 547 HA PHE 70 HA PHE 70 -2.335 -5.604 -11.350 548 1HB PHE 70 2HB PHE 70 -4.409 -5.342 -13.429 549 2HB PHE 70 1HB PHE 70 -2.790 -4.644 -13.366 550 HD1 PHE 70 1HD PHE 70 -4.776 -6.808 -15.194 551 HD2 PHE 70 2HD PHE 70 -0.867 -6.608 -13.425 552 HE1 PHE 70 1HE PHE 70 -3.968 -8.530 -16.785 553 HE2 PHE 70 2HE PHE 70 -0.059 -8.330 -15.016 554 HZ PHE 70 HZ PHE 70 -1.610 -9.291 -16.697 555 H GLY 71 H GLY 71 -3.430 -5.746 -9.283 556 1HA GLY 71 2HA GLY 71 -5.191 -4.809 -7.960 557 2HA GLY 71 1HA GLY 71 -6.221 -4.786 -9.393 558 H LYS 72 H LYS 72 -4.443 -7.681 -8.671 559 HA LYS 72 HA LYS 72 -6.878 -9.253 -8.506 560 1HB LYS 72 2HB LYS 72 -5.188 -10.560 -9.325 561 2HB LYS 72 1HB LYS 72 -3.943 -9.609 -8.514 562 1HG LYS 72 2HG LYS 72 -5.734 -11.252 -6.787 563 2HG LYS 72 1HG LYS 72 -4.534 -12.112 -7.752 564 1HD LYS 72 2HD LYS 72 -3.693 -9.693 -6.188 565 2HD LYS 72 1HD LYS 72 -3.894 -11.232 -5.352 566 1HE LYS 72 2HE LYS 72 -1.600 -11.196 -6.033 567 2HE LYS 72 1HE LYS 72 -2.407 -12.228 -7.231 568 1HZ LYS 72 1HZ LYS 72 -1.578 -10.777 -8.711 569 2HZ LYS 72 2HZ LYS 72 -1.297 -9.576 -7.543 570 H TYR 73 H TYR 73 -5.163 -7.366 -6.278 571 HA TYR 73 HA TYR 73 -5.814 -8.978 -3.898 572 1HB TYR 73 2HB TYR 73 -4.607 -6.249 -4.433 573 2HB TYR 73 1HB TYR 73 -4.878 -6.859 -2.801 574 HD1 TYR 73 1HD TYR 73 -3.563 -8.275 -6.027 575 HD2 TYR 73 2HD TYR 73 -2.978 -7.747 -1.805 576 HE1 TYR 73 1HE TYR 73 -1.454 -9.571 -6.158 577 HE2 TYR 73 2HE TYR 73 -0.867 -9.042 -1.936 578 HH TYR 73 HH TYR 73 0.882 -9.494 -4.063 579 H GLN 74 H GLN 74 -7.182 -6.411 -5.826 580 HA GLN 74 HA GLN 74 -9.158 -5.682 -3.730 581 1HB GLN 74 2HB GLN 74 -9.770 -3.959 -5.410 582 2HB GLN 74 1HB GLN 74 -8.035 -3.955 -5.093 583 1HG GLN 74 2HG GLN 74 -8.352 -3.842 -7.490 584 2HG GLN 74 1HG GLN 74 -7.738 -5.448 -7.097 585 1HE2 GLN 74 1HE2 GLN 74 -8.940 -5.647 -9.411 586 2HE2 GLN 74 2HE2 GLN 74 -10.547 -6.184 -9.318 587 H GLY 75 H GLY 75 -9.095 -7.010 -7.056 588 1HA GLY 75 2HA GLY 75 -10.597 -8.507 -8.083 589 2HA GLY 75 1HA GLY 75 -11.365 -8.733 -6.511 590 H THR 76 H THR 76 -12.648 -6.716 -5.761 591 HA THR 76 HA THR 76 -14.059 -5.496 -8.111 592 HB THR 76 HB THR 76 -15.380 -6.194 -5.493 593 HG1 THR 76 1HG THR 76 -15.568 -8.233 -6.080 594 1HG2 THR 76 1HG2 THR 76 -16.219 -4.948 -7.833 595 2HG2 THR 76 2HG2 THR 76 -17.269 -5.632 -6.592 596 3HG2 THR 76 3HG2 THR 76 -16.821 -6.597 -7.999 597 H TRP 77 H TRP 77 -12.241 -3.835 -7.405 598 HA TRP 77 HA TRP 77 -12.693 -2.336 -4.953 599 1HB TRP 77 2HB TRP 77 -11.134 -0.735 -6.408 600 2HB TRP 77 1HB TRP 77 -10.503 -2.230 -5.718 601 HD1 TRP 77 HD TRP 77 -12.894 -2.810 -8.505 602 HE1 TRP 77 1HE TRP 77 -11.625 -3.511 -10.636 603 HE3 TRP 77 3HE TRP 77 -8.111 -1.736 -7.076 604 HZ2 TRP 77 2HZ TRP 77 -8.935 -3.602 -11.608 605 HZ3 TRP 77 3HZ TRP 77 -6.217 -2.138 -8.623 606 HH2 TRP 77 HH TRP 77 -6.623 -3.069 -10.884 607 H VAL 78 H VAL 78 -13.342 -0.044 -4.935 608 HA VAL 78 HA VAL 78 -15.016 0.828 -7.250 609 HB VAL 78 HB VAL 78 -16.411 1.532 -4.912 610 1HG1 VAL 78 1HG1 VAL 78 -17.074 -0.961 -6.442 611 2HG1 VAL 78 2HG1 VAL 78 -17.076 0.586 -7.290 612 3HG1 VAL 78 3HG1 VAL 78 -18.142 0.336 -5.907 613 1HG2 VAL 78 1HG2 VAL 78 -15.712 0.037 -3.357 614 2HG2 VAL 78 2HG2 VAL 78 -14.845 -0.925 -4.554 615 3HG2 VAL 78 3HG2 VAL 78 -16.574 -1.168 -4.313 616 HA PRO 79 HA PRO 79 -13.576 4.907 -6.578 617 1HB PRO 79 2HB PRO 79 -16.296 5.875 -5.877 618 2HB PRO 79 1HB PRO 79 -15.221 6.392 -7.191 619 1HG PRO 79 2HG PRO 79 -17.408 4.888 -7.620 620 2HG PRO 79 1HG PRO 79 -15.947 4.763 -8.611 621 1HD PRO 79 2HD PRO 79 -16.991 2.904 -6.555 622 2HD PRO 79 1HD PRO 79 -15.996 2.571 -7.989 623 H LEU 80 H LEU 80 -12.392 5.085 -4.683 624 HA LEU 80 HA LEU 80 -13.141 4.426 -2.076 625 1HB LEU 80 2HB LEU 80 -10.878 4.902 -2.508 626 2HB LEU 80 1HB LEU 80 -11.256 6.431 -3.304 627 HG LEU 80 HG LEU 80 -12.251 7.003 -0.888 628 1HD1 LEU 80 1HD1 LEU 80 -9.945 5.743 0.289 629 2HD1 LEU 80 2HD1 LEU 80 -10.951 4.514 -0.477 630 3HD1 LEU 80 3HD1 LEU 80 -11.641 5.582 0.747 631 1HD2 LEU 80 1HD2 LEU 80 -9.269 7.115 -1.057 632 2HD2 LEU 80 2HD2 LEU 80 -10.417 8.392 -0.659 633 3HD2 LEU 80 3HD2 LEU 80 -10.189 7.903 -2.338 634 H ASN 81 H ASN 81 -13.857 7.396 -3.872 635 HA ASN 81 HA ASN 81 -14.740 8.998 -1.661 636 1HB ASN 81 2HB ASN 81 -14.197 9.550 -4.148 637 2HB ASN 81 1HB ASN 81 -15.871 9.087 -4.458 638 1HD2 ASN 81 1HD2 ASN 81 -14.445 11.834 -4.454 639 2HD2 ASN 81 2HD2 ASN 81 -15.427 12.797 -3.459 640 H ILE 82 H ILE 82 -16.356 6.597 -3.702 641 HA ILE 82 HA ILE 82 -18.914 7.024 -2.225 642 HB ILE 82 HB ILE 82 -18.802 6.972 -4.737 643 1HG1 ILE 82 2HG1 ILE 82 -20.340 4.537 -4.281 644 2HG1 ILE 82 1HG1 ILE 82 -20.630 5.734 -3.017 645 1HG2 ILE 82 1HG2 ILE 82 -18.139 4.042 -4.327 646 2HG2 ILE 82 2HG2 ILE 82 -16.956 5.261 -4.803 647 3HG2 ILE 82 3HG2 ILE 82 -18.313 4.885 -5.866 648 1HD1 ILE 82 1HD1 ILE 82 -20.944 7.439 -4.892 649 2HD1 ILE 82 2HD1 ILE 82 -22.209 6.217 -4.746 650 3HD1 ILE 82 3HD1 ILE 82 -20.980 6.070 -6.003 651 H ALA 83 H ALA 83 -16.346 4.672 -2.797 652 HA ALA 83 HA ALA 83 -17.601 2.369 -1.651 653 1HB ALA 83 1HB ALA 83 -14.674 2.877 -1.325 654 2HB ALA 83 2HB ALA 83 -15.317 2.884 -2.967 655 3HB ALA 83 3HB ALA 83 -15.498 1.451 -1.956 656 H LYS 84 H LYS 84 -15.172 4.571 -0.145 657 HA LYS 84 HA LYS 84 -15.374 3.566 2.484 658 1HB LYS 84 2HB LYS 84 -13.951 5.308 2.898 659 2HB LYS 84 1HB LYS 84 -13.974 5.493 1.144 660 1HG LYS 84 2HG LYS 84 -15.939 7.044 1.402 661 2HG LYS 84 1HG LYS 84 -15.708 6.961 3.150 662 1HD LYS 84 2HD LYS 84 -13.381 7.667 1.387 663 2HD LYS 84 1HD LYS 84 -14.576 8.903 1.783 664 1HE LYS 84 2HE LYS 84 -14.140 7.790 4.251 665 2HE LYS 84 1HE LYS 84 -12.531 7.661 3.514 666 1HZ LYS 84 1HZ LYS 84 -13.744 10.115 2.806 667 2HZ LYS 84 2HZ LYS 84 -13.733 9.958 4.497 668 H GLN 85 H GLN 85 -17.494 5.785 0.736 669 HA GLN 85 HA GLN 85 -18.927 6.749 3.063 670 1HB GLN 85 2HB GLN 85 -18.787 7.884 0.856 671 2HB GLN 85 1HB GLN 85 -19.710 6.564 0.140 672 1HG GLN 85 2HG GLN 85 -21.257 7.291 2.319 673 2HG GLN 85 1HG GLN 85 -20.648 8.837 1.730 674 1HE2 GLN 85 1HE2 GLN 85 -21.022 6.164 -0.528 675 2HE2 GLN 85 2HE2 GLN 85 -22.373 6.794 -1.340 676 H LEU 86 H LEU 86 -19.247 3.984 0.900 677 HA LEU 86 HA LEU 86 -21.867 3.208 2.009 678 1HB LEU 86 2HB LEU 86 -20.625 2.906 -0.386 679 2HB LEU 86 1HB LEU 86 -20.256 1.351 0.363 680 HG LEU 86 HG LEU 86 -22.678 1.062 0.876 681 1HD1 LEU 86 1HD1 LEU 86 -22.847 3.669 -0.652 682 2HD1 LEU 86 2HD1 LEU 86 -23.441 3.330 0.974 683 3HD1 LEU 86 3HD1 LEU 86 -24.235 2.605 -0.424 684 1HD2 LEU 86 1HD2 LEU 86 -23.388 0.719 -1.515 685 2HD2 LEU 86 2HD2 LEU 86 -21.804 0.035 -1.146 686 3HD2 LEU 86 3HD2 LEU 86 -21.924 1.562 -2.020 687 H ALA 87 H ALA 87 -18.472 2.196 2.213 688 HA ALA 87 HA ALA 87 -19.115 -0.052 4.011 689 1HB ALA 87 1HB ALA 87 -16.318 0.737 3.776 690 2HB ALA 87 2HB ALA 87 -17.098 0.637 2.198 691 3HB ALA 87 3HB ALA 87 -17.096 -0.762 3.271 692 H GLU 88 H GLU 88 -16.975 2.819 4.281 693 HA GLU 88 HA GLU 88 -16.315 2.815 6.933 694 1HB GLU 88 2HB GLU 88 -15.681 4.923 6.418 695 2HB GLU 88 1HB GLU 88 -16.357 4.598 4.828 696 1HG GLU 88 2HG GLU 88 -18.627 5.278 6.041 697 2HG GLU 88 1HG GLU 88 -17.519 6.158 7.096 698 H LYS 89 H LYS 89 -19.532 3.239 5.635 699 HA LYS 89 HA LYS 89 -20.748 4.453 7.960 700 1HB LYS 89 2HB LYS 89 -21.636 4.392 5.607 701 2HB LYS 89 1HB LYS 89 -21.938 2.665 5.812 702 1HG LYS 89 2HG LYS 89 -24.009 3.520 6.411 703 2HG LYS 89 1HG LYS 89 -23.216 3.483 7.986 704 1HD LYS 89 2HD LYS 89 -22.656 5.937 6.483 705 2HD LYS 89 1HD LYS 89 -24.371 5.719 6.833 706 1HE LYS 89 2HE LYS 89 -23.069 4.995 9.216 707 2HE LYS 89 1HE LYS 89 -22.230 6.454 8.654 708 1HZ LYS 89 1HZ LYS 89 -24.043 7.698 8.954 709 2HZ LYS 89 2HZ LYS 89 -25.065 6.550 8.231 710 H PHE 90 H PHE 90 -22.229 1.504 7.005 711 HA PHE 90 HA PHE 90 -21.590 0.307 9.677 712 1HB PHE 90 2HB PHE 90 -23.816 -0.093 9.790 713 2HB PHE 90 1HB PHE 90 -23.985 0.902 8.343 714 HD1 PHE 90 1HD PHE 90 -25.108 -0.067 6.555 715 HD2 PHE 90 2HD PHE 90 -22.854 -2.575 9.216 716 HE1 PHE 90 1HE PHE 90 -25.800 -2.065 5.259 717 HE2 PHE 90 2HE PHE 90 -23.545 -4.572 7.919 718 HZ PHE 90 HZ PHE 90 -25.018 -4.317 5.940 719 H SER 91 H SER 91 -20.563 0.072 6.574 720 HA SER 91 HA SER 91 -20.755 -2.771 6.072 721 1HB SER 91 2HB SER 91 -20.339 -0.691 4.522 722 2HB SER 91 1HB SER 91 -18.649 -0.951 4.942 723 HG SER 91 HG SER 91 -18.828 -2.305 3.309 724 H VAL 92 H VAL 92 -17.642 -1.053 6.253 725 HA VAL 92 HA VAL 92 -16.680 -3.165 8.150 726 HB VAL 92 HB VAL 92 -14.988 -1.689 6.132 727 1HG1 VAL 92 1HG1 VAL 92 -13.718 -3.856 6.249 728 2HG1 VAL 92 2HG1 VAL 92 -14.840 -4.390 7.500 729 3HG1 VAL 92 3HG1 VAL 92 -13.794 -2.999 7.788 730 1HG2 VAL 92 1HG2 VAL 92 -15.486 -4.033 4.873 731 2HG2 VAL 92 2HG2 VAL 92 -16.409 -2.565 4.557 732 3HG2 VAL 92 3HG2 VAL 92 -17.044 -3.785 5.660 733 H TYR 93 H TYR 93 -17.650 -0.121 8.188 734 HA TYR 93 HA TYR 93 -15.829 1.757 8.899 735 1HB TYR 93 2HB TYR 93 -17.851 2.567 9.511 736 2HB TYR 93 1HB TYR 93 -18.484 0.944 9.782 737 HD1 TYR 93 1HD TYR 93 -16.070 3.364 11.340 738 HD2 TYR 93 2HD TYR 93 -19.064 0.345 11.957 739 HE1 TYR 93 1HE TYR 93 -15.917 3.711 13.791 740 HE2 TYR 93 2HE TYR 93 -18.909 0.694 14.408 741 HH TYR 93 HH TYR 93 -16.441 2.757 15.818 742 H ASP 94 H ASP 94 -16.357 -1.251 10.628 743 HA ASP 94 HA ASP 94 -14.611 -0.434 12.878 744 1HB ASP 94 2HB ASP 94 -16.264 -2.853 12.133 745 2HB ASP 94 1HB ASP 94 -15.176 -2.877 13.522 746 H GLN 95 H GLN 95 -14.665 -3.122 10.499 747 HA GLN 95 HA GLN 95 -12.015 -4.044 11.002 748 1HB GLN 95 2HB GLN 95 -14.228 -4.542 9.265 749 2HB GLN 95 1HB GLN 95 -12.773 -4.444 8.271 750 1HG GLN 95 2HG GLN 95 -13.372 -6.749 9.282 751 2HG GLN 95 1HG GLN 95 -11.707 -6.192 9.451 752 1HE2 GLN 95 1HE2 GLN 95 -14.204 -4.642 11.375 753 2HE2 GLN 95 2HE2 GLN 95 -13.760 -5.339 12.858 754 H LEU 96 H LEU 96 -13.229 -1.452 8.914 755 HA LEU 96 HA LEU 96 -10.627 -1.090 7.588 756 1HB LEU 96 2HB LEU 96 -12.743 0.985 7.459 757 2HB LEU 96 1HB LEU 96 -11.861 0.198 6.150 758 HG LEU 96 HG LEU 96 -13.599 -1.649 7.617 759 1HD1 LEU 96 1HD1 LEU 96 -14.889 0.584 6.022 760 2HD1 LEU 96 2HD1 LEU 96 -14.923 0.478 7.781 761 3HD1 LEU 96 3HD1 LEU 96 -15.713 -0.763 6.808 762 1HD2 LEU 96 1HD2 LEU 96 -14.126 -1.152 4.782 763 2HD2 LEU 96 2HD2 LEU 96 -13.595 -2.634 5.578 764 3HD2 LEU 96 3HD2 LEU 96 -12.412 -1.414 5.108 765 H LYS 97 H LYS 97 -10.985 -0.717 10.622 766 HA LYS 97 HA LYS 97 -10.764 2.103 11.197 767 1HB LYS 97 2HB LYS 97 -11.221 0.978 13.129 768 2HB LYS 97 1HB LYS 97 -10.488 -0.511 12.533 769 1HG LYS 97 2HG LYS 97 -8.275 1.044 12.814 770 2HG LYS 97 1HG LYS 97 -9.283 1.684 14.112 771 1HD LYS 97 2HD LYS 97 -8.561 -1.232 13.690 772 2HD LYS 97 1HD LYS 97 -7.926 -0.177 14.953 773 1HE LYS 97 2HE LYS 97 -10.838 -0.127 14.932 774 2HE LYS 97 1HE LYS 97 -10.220 -1.775 15.153 775 1HZ LYS 97 1HZ LYS 97 -10.116 0.410 16.958 776 2HZ LYS 97 2HZ LYS 97 -9.677 -1.210 17.219 777 HA PRO 98 HA PRO 98 -6.067 0.932 10.926 778 1HB PRO 98 2HB PRO 98 -5.515 -0.991 9.059 779 2HB PRO 98 1HB PRO 98 -5.824 -1.369 10.765 780 1HG PRO 98 2HG PRO 98 -7.649 -1.567 8.422 781 2HG PRO 98 1HG PRO 98 -7.468 -2.661 9.803 782 1HD PRO 98 2HD PRO 98 -9.495 -0.860 9.575 783 2HD PRO 98 1HD PRO 98 -8.850 -1.412 11.137 784 H LEU 99 H LEU 99 -7.566 0.077 7.782 785 HA LEU 99 HA LEU 99 -5.890 1.729 6.174 786 1HB LEU 99 2HB LEU 99 -7.174 -0.035 5.198 787 2HB LEU 99 1HB LEU 99 -8.677 0.586 5.880 788 HG LEU 99 HG LEU 99 -8.976 2.029 4.166 789 1HD1 LEU 99 1HD1 LEU 99 -7.615 3.814 4.405 790 2HD1 LEU 99 2HD1 LEU 99 -6.506 3.010 3.293 791 3HD1 LEU 99 3HD1 LEU 99 -6.307 2.811 5.035 792 1HD2 LEU 99 1HD2 LEU 99 -6.565 0.866 2.785 793 2HD2 LEU 99 2HD2 LEU 99 -8.138 1.282 2.105 794 3HD2 LEU 99 3HD2 LEU 99 -7.968 -0.151 3.118 795 H PHE 100 H PHE 100 -8.697 2.465 8.127 796 HA PHE 100 HA PHE 100 -9.191 5.069 6.845 797 1HB PHE 100 2HB PHE 100 -10.342 3.334 8.966 798 2HB PHE 100 1HB PHE 100 -10.610 5.066 9.160 799 HD1 PHE 100 1HD PHE 100 -12.591 5.864 8.248 800 HD2 PHE 100 2HD PHE 100 -10.575 2.593 6.327 801 HE1 PHE 100 1HE PHE 100 -14.368 5.784 6.519 802 HE2 PHE 100 2HE PHE 100 -12.352 2.514 4.598 803 HZ PHE 100 HZ PHE 100 -14.248 4.108 4.694 804 H ASP 101 H ASP 101 -7.366 3.785 9.545 805 HA ASP 101 HA ASP 101 -6.935 6.455 10.745 806 1HB ASP 101 2HB ASP 101 -6.218 3.594 11.361 807 2HB ASP 101 1HB ASP 101 -5.434 4.912 12.231 808 H PHE 102 H PHE 102 -4.986 3.894 9.176 809 HA PHE 102 HA PHE 102 -3.168 4.365 7.631 810 1HB PHE 102 2HB PHE 102 -4.079 6.759 7.763 811 2HB PHE 102 1HB PHE 102 -2.957 7.001 9.104 812 HD1 PHE 102 1HD PHE 102 -1.995 8.809 7.518 813 HD2 PHE 102 2HD PHE 102 -1.808 4.593 6.716 814 HE1 PHE 102 1HE PHE 102 -0.149 9.197 5.909 815 HE2 PHE 102 2HE PHE 102 0.039 4.981 5.107 816 HZ PHE 102 HZ PHE 102 0.868 7.283 4.702 817 H THR 103 H THR 103 -1.371 3.219 8.222 818 HA THR 103 HA THR 103 -0.521 3.047 11.004 819 HB THR 103 HB THR 103 1.174 1.518 9.995 820 HG1 THR 103 1HG THR 103 0.287 2.858 7.735 821 1HG2 THR 103 1HG2 THR 103 -1.528 1.150 10.181 822 2HG2 THR 103 2HG2 THR 103 -0.384 -0.115 9.733 823 3HG2 THR 103 3HG2 THR 103 -1.247 0.777 8.480 824 H GLN 104 H GLN 104 0.545 4.809 11.853 825 HA GLN 104 HA GLN 104 2.441 6.341 10.149 826 1HB GLN 104 2HB GLN 104 0.753 7.541 11.454 827 2HB GLN 104 1HB GLN 104 1.300 6.749 12.933 828 1HG GLN 104 2HG GLN 104 3.647 7.789 12.062 829 2HG GLN 104 1HG GLN 104 2.523 8.992 11.427 830 1HE2 GLN 104 1HE2 GLN 104 2.069 7.088 14.422 831 2HE2 GLN 104 2HE2 GLN 104 2.108 8.425 15.468 832 H THR 105 H THR 105 4.603 6.855 11.093 833 HA THR 105 HA THR 105 5.780 4.462 12.387 834 HB THR 105 HB THR 105 7.019 6.994 11.260 835 HG1 THR 105 1HG THR 105 7.295 5.755 9.409 836 1HG2 THR 105 1HG2 THR 105 8.702 6.016 12.542 837 2HG2 THR 105 2HG2 THR 105 8.950 5.234 10.981 838 3HG2 THR 105 3HG2 THR 105 8.098 4.382 12.269 839 H ASP 106 H ASP 106 6.098 4.442 14.574 840 HA ASP 106 HA ASP 106 5.614 6.732 16.263 841 1HB ASP 106 2HB ASP 106 7.212 4.663 17.495 842 2HB ASP 106 1HB ASP 106 5.505 5.028 17.745 843 H GLY 107 H GLY 107 7.849 6.852 14.151 844 1HA GLY 107 2HA GLY 107 9.738 8.355 14.223 845 2HA GLY 107 1HA GLY 107 9.870 8.061 15.958 846 H SER 108 H SER 108 9.426 5.068 15.086 847 HA SER 108 HA SER 108 12.321 4.477 14.894 848 1HB SER 108 2HB SER 108 11.491 2.923 16.334 849 2HB SER 108 1HB SER 108 9.837 3.213 15.806 850 HG SER 108 HG SER 108 11.191 1.110 15.303 851 H ALA 109 H ALA 109 12.966 2.710 13.283 852 HA ALA 109 HA ALA 109 12.326 3.478 10.605 853 1HB ALA 109 1HB ALA 109 14.285 2.329 10.563 854 2HB ALA 109 2HB ALA 109 13.294 0.871 10.514 855 3HB ALA 109 3HB ALA 109 13.900 1.476 12.056 856 H SER 110 H SER 110 10.316 3.194 9.713 857 HA SER 110 HA SER 110 8.855 0.639 10.305 858 1HB SER 110 2HB SER 110 7.041 1.937 10.708 859 2HB SER 110 1HB SER 110 8.147 3.308 10.706 860 HG SER 110 HG SER 110 6.568 3.698 9.187 861 HA PRO 111 HA PRO 111 10.066 0.400 5.881 862 1HB PRO 111 2HB PRO 111 9.299 -2.423 6.348 863 2HB PRO 111 1HB PRO 111 10.802 -1.764 5.677 864 1HG PRO 111 2HG PRO 111 10.658 -2.830 8.144 865 2HG PRO 111 1HG PRO 111 11.770 -1.519 7.725 866 1HD PRO 111 2HD PRO 111 9.257 -1.426 9.298 867 2HD PRO 111 1HD PRO 111 10.718 -0.423 9.428 868 HA PRO 112 HA PRO 112 5.587 0.465 5.220 869 1HB PRO 112 2HB PRO 112 5.620 2.473 3.386 870 2HB PRO 112 1HB PRO 112 5.715 2.779 5.131 871 1HG PRO 112 2HG PRO 112 7.841 2.881 3.079 872 2HG PRO 112 1HG PRO 112 7.668 3.805 4.576 873 1HD PRO 112 2HD PRO 112 9.337 1.589 4.178 874 2HD PRO 112 1HD PRO 112 8.906 2.315 5.741 875 HA PRO 113 HA PRO 113 5.722 -1.888 1.459 876 1HB PRO 113 2HB PRO 113 3.091 -2.083 0.948 877 2HB PRO 113 1HB PRO 113 3.781 -2.836 2.405 878 1HG PRO 113 2HG PRO 113 2.357 -0.221 2.126 879 2HG PRO 113 1HG PRO 113 2.130 -1.492 3.342 880 1HD PRO 113 2HD PRO 113 3.618 0.752 3.784 881 2HD PRO 113 1HD PRO 113 3.942 -0.804 4.584 882 H ALA 114 H ALA 114 3.129 0.551 1.268 883 HA ALA 114 HA ALA 114 2.811 1.171 -1.298 884 1HB ALA 114 1HB ALA 114 2.063 2.471 0.728 885 2HB ALA 114 2HB ALA 114 2.552 3.497 -0.621 886 3HB ALA 114 3HB ALA 114 3.641 3.258 0.744 887 HA PRO 115 HA PRO 115 6.965 1.517 -2.920 888 1HB PRO 115 2HB PRO 115 6.126 2.308 -5.450 889 2HB PRO 115 1HB PRO 115 6.272 0.624 -4.916 890 1HG PRO 115 2HG PRO 115 3.860 2.329 -5.154 891 2HG PRO 115 1HG PRO 115 4.047 0.589 -5.413 892 1HD PRO 115 2HD PRO 115 2.893 1.648 -3.193 893 2HD PRO 115 1HD PRO 115 3.757 0.095 -3.195 894 H LYS 116 H LYS 116 8.299 3.304 -2.883 895 HA LYS 116 HA LYS 116 7.229 5.937 -2.360 896 1HB LYS 116 2HB LYS 116 9.612 4.553 -2.043 897 2HB LYS 116 1HB LYS 116 10.011 5.752 -3.275 898 1HG LYS 116 2HG LYS 116 8.453 7.102 -1.339 899 2HG LYS 116 1HG LYS 116 9.629 6.140 -0.442 900 1HD LYS 116 2HD LYS 116 10.680 7.567 -2.821 901 2HD LYS 116 1HD LYS 116 10.189 8.588 -1.467 902 1HE LYS 116 2HE LYS 116 12.023 6.186 -1.158 903 2HE LYS 116 1HE LYS 116 12.604 7.853 -1.342 904 1HZ LYS 116 1HZ LYS 116 12.361 7.796 0.910 905 2HZ LYS 116 2HZ LYS 116 10.781 8.257 0.495 906 H HIS 117 H HIS 117 5.875 6.286 -4.298 907 HA HIS 117 HA HIS 117 7.503 7.055 -6.702 908 1HB HIS 117 2HB HIS 117 6.148 4.995 -6.996 909 2HB HIS 117 1HB HIS 117 4.700 5.896 -6.547 910 HD1 HIS 117 1HD HIS 117 4.007 5.110 -9.102 911 HD2 HIS 117 2HD HIS 117 6.923 8.070 -8.759 912 HE1 HIS 117 1HE HIS 117 4.140 6.251 -11.360 913 H HIS 118 H HIS 118 6.912 9.034 -7.682 914 HA HIS 118 HA HIS 118 5.463 10.932 -5.990 915 1HB HIS 118 2HB HIS 118 7.411 10.923 -8.064 916 2HB HIS 118 1HB HIS 118 6.053 11.891 -8.638 917 HD1 HIS 118 1HD HIS 118 5.940 12.114 -5.091 918 HD2 HIS 118 2HD HIS 118 8.296 13.927 -8.014 919 HE1 HIS 118 1HE HIS 118 6.938 14.183 -4.025 920 H HIS 119 H HIS 119 3.383 11.709 -6.343 921 HA HIS 119 HA HIS 119 1.557 10.183 -7.978 922 1HB HIS 119 2HB HIS 119 -0.007 12.025 -7.239 923 2HB HIS 119 1HB HIS 119 0.877 11.265 -5.916 924 HD1 HIS 119 1HD HIS 119 3.294 13.226 -7.617 925 HD2 HIS 119 2HD HIS 119 0.217 14.141 -4.958 926 HE1 HIS 119 1HE HIS 119 3.833 15.507 -6.656 927 H ALA 120 H ALA 120 0.665 10.711 -9.996 928 HA ALA 120 HA ALA 120 2.058 11.977 -12.001 929 1HB ALA 120 1HB ALA 120 -0.242 12.354 -13.013 930 2HB ALA 120 2HB ALA 120 -0.924 11.872 -11.460 931 3HB ALA 120 3HB ALA 120 0.032 10.724 -12.398 932 H SER 121 H SER 121 2.693 14.065 -12.385 933 HA SER 121 HA SER 121 1.364 16.247 -10.816 934 1HB SER 121 2HB SER 121 3.503 16.700 -10.245 935 2HB SER 121 1HB SER 121 4.084 15.434 -11.323 936 HG SER 121 HG SER 121 3.193 17.820 -12.463 937 H LYS 122 H LYS 122 -0.176 17.118 -12.200 938 HA LYS 122 HA LYS 122 0.651 17.687 -15.025 939 1HB LYS 122 2HB LYS 122 -1.952 17.113 -13.616 940 2HB LYS 122 1HB LYS 122 -1.948 17.912 -15.188 941 1HG LYS 122 2HG LYS 122 -0.207 15.861 -15.651 942 2HG LYS 122 1HG LYS 122 -1.311 15.109 -14.498 943 1HD LYS 122 2HD LYS 122 -3.024 15.072 -15.986 944 2HD LYS 122 1HD LYS 122 -2.665 16.696 -16.573 945 1HE LYS 122 2HE LYS 122 -0.691 14.584 -17.294 946 2HE LYS 122 1HE LYS 122 -2.269 14.506 -18.103 947 1HZ LYS 122 1HZ LYS 122 -0.981 17.122 -17.796 948 2HZ LYS 122 2HZ LYS 122 -0.387 16.079 -18.999 949 H VAL 123 H VAL 123 1.381 19.793 -15.122 950 HA VAL 123 HA VAL 123 0.359 21.864 -13.311 951 HB VAL 123 HB VAL 123 2.333 22.818 -13.885 952 1HG1 VAL 123 1HG1 VAL 123 3.973 21.346 -14.706 953 2HG1 VAL 123 2HG1 VAL 123 2.847 20.560 -15.812 954 3HG1 VAL 123 3HG1 VAL 123 2.742 20.250 -14.079 955 1HG2 VAL 123 1HG2 VAL 123 1.834 24.007 -15.778 956 2HG2 VAL 123 2HG2 VAL 123 1.083 22.622 -16.571 957 3HG2 VAL 123 3HG2 VAL 123 2.839 22.782 -16.553 958 H ASP 124 H ASP 124 -1.145 23.442 -13.851 959 HA ASP 124 HA ASP 124 -2.976 23.050 -16.004 960 1HB ASP 124 2HB ASP 124 -3.039 24.397 -13.736 961 2HB ASP 124 1HB ASP 124 -2.463 25.728 -14.740 Start of MODEL 16 1 H SER 2 H SER 2 -0.062 -5.705 9.502 2 HA SER 2 HA SER 2 -0.407 -7.002 6.821 3 1HB SER 2 2HB SER 2 -0.636 -8.084 9.617 4 2HB SER 2 1HB SER 2 -1.610 -8.792 8.331 5 HG SER 2 HG SER 2 0.358 -9.866 8.450 6 H ASN 3 H ASN 3 -1.888 -5.541 9.681 7 HA ASN 3 HA ASN 3 -4.612 -5.719 8.582 8 1HB ASN 3 2HB ASN 3 -4.243 -3.876 10.783 9 2HB ASN 3 1HB ASN 3 -5.078 -5.429 10.775 10 1HD2 ASN 3 1HD2 ASN 3 -4.042 -7.168 11.815 11 2HD2 ASN 3 2HD2 ASN 3 -2.448 -7.118 12.397 12 H GLN 4 H GLN 4 -1.939 -3.520 8.419 13 HA GLN 4 HA GLN 4 -3.425 -1.076 7.970 14 1HB GLN 4 2HB GLN 4 -0.614 -2.059 7.443 15 2HB GLN 4 1HB GLN 4 -1.120 -0.422 7.021 16 1HG GLN 4 2HG GLN 4 -2.028 -0.416 9.513 17 2HG GLN 4 1HG GLN 4 -0.805 -1.670 9.724 18 1HE2 GLN 4 1HE2 GLN 4 1.475 -1.049 8.979 19 2HE2 GLN 4 2HE2 GLN 4 1.946 0.573 9.132 20 H ILE 5 H ILE 5 -2.697 0.046 5.680 21 HA ILE 5 HA ILE 5 -3.634 -1.830 3.533 22 HB ILE 5 HB ILE 5 -5.325 -0.313 3.463 23 1HG1 ILE 5 2HG1 ILE 5 -3.221 0.581 1.832 24 2HG1 ILE 5 1HG1 ILE 5 -4.920 1.041 1.703 25 1HG2 ILE 5 1HG2 ILE 5 -4.958 0.593 5.622 26 2HG2 ILE 5 2HG2 ILE 5 -5.010 1.999 4.560 27 3HG2 ILE 5 3HG2 ILE 5 -3.459 1.379 5.128 28 1HD1 ILE 5 1HD1 ILE 5 -2.666 2.494 3.060 29 2HD1 ILE 5 2HD1 ILE 5 -4.323 2.741 3.610 30 3HD1 ILE 5 3HD1 ILE 5 -3.882 3.120 1.945 31 H TYR 6 H TYR 6 -1.432 -2.380 2.951 32 HA TYR 6 HA TYR 6 0.668 -0.516 2.465 33 1HB TYR 6 2HB TYR 6 -0.035 -3.313 1.627 34 2HB TYR 6 1HB TYR 6 1.380 -2.530 0.922 35 HD1 TYR 6 1HD TYR 6 3.349 -3.197 1.968 36 HD2 TYR 6 2HD TYR 6 -0.173 -2.557 4.343 37 HE1 TYR 6 1HE TYR 6 4.647 -3.683 4.024 38 HE2 TYR 6 2HE TYR 6 1.126 -3.044 6.399 39 HH TYR 6 HH TYR 6 3.153 -4.226 7.052 40 H SER 7 H SER 7 1.606 -0.108 0.247 41 HA SER 7 HA SER 7 -0.571 0.520 -1.723 42 1HB SER 7 2HB SER 7 1.784 1.956 -0.630 43 2HB SER 7 1HB SER 7 1.506 2.164 -2.357 44 HG SER 7 HG SER 7 -0.818 2.306 -1.020 45 H ALA 8 H ALA 8 -0.118 0.059 -3.946 46 HA ALA 8 HA ALA 8 2.479 -1.215 -4.620 47 1HB ALA 8 1HB ALA 8 1.261 -3.100 -3.845 48 2HB ALA 8 2HB ALA 8 1.068 -3.151 -5.597 49 3HB ALA 8 3HB ALA 8 -0.237 -2.536 -4.584 50 H ARG 9 H ARG 9 2.750 -1.438 -6.968 51 HA ARG 9 HA ARG 9 0.845 0.257 -8.551 52 1HB ARG 9 2HB ARG 9 2.621 1.589 -8.962 53 2HB ARG 9 1HB ARG 9 3.617 0.561 -7.931 54 1HG ARG 9 2HG ARG 9 4.719 -0.202 -9.735 55 2HG ARG 9 1HG ARG 9 3.205 -0.796 -10.417 56 1HD ARG 9 2HD ARG 9 4.417 1.965 -10.768 57 2HD ARG 9 1HD ARG 9 4.074 0.762 -12.028 58 HE ARG 9 HE ARG 9 1.700 1.423 -10.492 59 1HH1 ARG 9 1HH1 ARG 9 3.809 2.396 -13.040 60 1HH2 ARG 9 1HH2 ARG 9 0.102 2.603 -11.571 61 2HH2 ARG 9 2HH2 ARG 9 0.496 3.419 -13.047 62 H TYR 10 H TYR 10 -0.245 -1.184 -9.864 63 HA TYR 10 HA TYR 10 1.393 -3.043 -11.524 64 1HB TYR 10 2HB TYR 10 -0.766 -3.682 -9.538 65 2HB TYR 10 1HB TYR 10 -0.590 -4.703 -10.964 66 HD1 TYR 10 1HD TYR 10 1.896 -5.441 -11.515 67 HD2 TYR 10 2HD TYR 10 0.519 -4.167 -7.652 68 HE1 TYR 10 1HE TYR 10 3.810 -6.605 -10.450 69 HE2 TYR 10 2HE TYR 10 2.432 -5.330 -6.586 70 HH TYR 10 HH TYR 10 3.970 -7.206 -7.121 71 H SER 11 H SER 11 0.050 -3.930 -13.360 72 HA SER 11 HA SER 11 -1.380 -3.566 -15.204 73 1HB SER 11 2HB SER 11 -3.522 -3.654 -14.453 74 2HB SER 11 1HB SER 11 -2.819 -3.599 -12.839 75 HG SER 11 HG SER 11 -3.104 -1.400 -12.809 76 H GLY 12 H GLY 12 0.601 -1.448 -14.507 77 1HA GLY 12 2HA GLY 12 1.129 0.662 -15.404 78 2HA GLY 12 1HA GLY 12 -0.412 0.619 -16.262 79 H VAL 13 H VAL 13 -1.392 0.005 -13.265 80 HA VAL 13 HA VAL 13 -1.481 2.888 -12.436 81 HB VAL 13 HB VAL 13 -3.828 1.133 -11.931 82 1HG1 VAL 13 1HG1 VAL 13 -3.610 3.908 -13.127 83 2HG1 VAL 13 2HG1 VAL 13 -3.647 3.600 -11.392 84 3HG1 VAL 13 3HG1 VAL 13 -5.033 3.170 -12.393 85 1HG2 VAL 13 1HG2 VAL 13 -4.270 0.588 -14.075 86 2HG2 VAL 13 2HG2 VAL 13 -2.650 1.144 -14.496 87 3HG2 VAL 13 3HG2 VAL 13 -4.017 2.254 -14.595 88 H ASP 14 H ASP 14 -1.188 3.200 -10.218 89 HA ASP 14 HA ASP 14 -0.333 0.903 -8.621 90 1HB ASP 14 2HB ASP 14 -0.544 3.196 -7.020 91 2HB ASP 14 1HB ASP 14 0.901 2.646 -7.868 92 H VAL 15 H VAL 15 -1.268 0.504 -6.440 93 HA VAL 15 HA VAL 15 -4.083 1.367 -6.047 94 HB VAL 15 HB VAL 15 -4.817 -0.558 -6.986 95 1HG1 VAL 15 1HG1 VAL 15 -2.260 -0.599 -7.826 96 2HG1 VAL 15 2HG1 VAL 15 -3.385 -1.914 -8.168 97 3HG1 VAL 15 3HG1 VAL 15 -2.245 -2.053 -6.829 98 1HG2 VAL 15 1HG2 VAL 15 -5.021 -2.312 -5.509 99 2HG2 VAL 15 2HG2 VAL 15 -4.379 -1.111 -4.386 100 3HG2 VAL 15 3HG2 VAL 15 -3.303 -2.309 -5.108 101 H TYR 16 H TYR 16 -4.866 0.173 -3.890 102 HA TYR 16 HA TYR 16 -2.589 0.299 -1.940 103 1HB TYR 16 2HB TYR 16 -5.390 0.662 -1.036 104 2HB TYR 16 1HB TYR 16 -3.949 1.587 -0.616 105 HD1 TYR 16 1HD TYR 16 -6.782 2.627 -1.453 106 HD2 TYR 16 2HD TYR 16 -3.105 2.021 -3.588 107 HE1 TYR 16 1HE TYR 16 -7.433 4.386 -3.076 108 HE2 TYR 16 2HE TYR 16 -3.755 3.779 -5.210 109 HH TYR 16 HH TYR 16 -5.901 6.027 -4.719 110 H GLU 17 H GLU 17 -2.559 -1.338 -0.296 111 HA GLU 17 HA GLU 17 -4.419 -3.640 -0.803 112 1HB GLU 17 2HB GLU 17 -2.265 -4.799 0.307 113 2HB GLU 17 1HB GLU 17 -2.356 -4.472 -1.424 114 1HG GLU 17 2HG GLU 17 -1.431 -2.145 0.066 115 2HG GLU 17 1HG GLU 17 -0.386 -3.542 0.319 116 H PHE 18 H PHE 18 -5.681 -4.171 0.921 117 HA PHE 18 HA PHE 18 -4.739 -3.451 3.673 118 1HB PHE 18 2HB PHE 18 -6.373 -1.812 2.853 119 2HB PHE 18 1HB PHE 18 -7.480 -3.109 2.406 120 HD1 PHE 18 1HD PHE 18 -7.791 -0.702 4.450 121 HD2 PHE 18 2HD PHE 18 -6.918 -4.887 4.850 122 HE1 PHE 18 1HE PHE 18 -8.745 -0.683 6.739 123 HE2 PHE 18 2HE PHE 18 -7.868 -4.866 7.141 124 HZ PHE 18 HZ PHE 18 -8.782 -2.765 8.084 125 H ILE 19 H ILE 19 -5.005 -5.144 5.136 126 HA ILE 19 HA ILE 19 -6.100 -7.688 4.087 127 HB ILE 19 HB ILE 19 -4.759 -6.969 6.717 128 1HG1 ILE 19 2HG1 ILE 19 -3.056 -6.520 5.224 129 2HG1 ILE 19 1HG1 ILE 19 -2.855 -8.268 5.349 130 1HG2 ILE 19 1HG2 ILE 19 -4.352 -9.661 5.736 131 2HG2 ILE 19 2HG2 ILE 19 -6.077 -9.317 5.876 132 3HG2 ILE 19 3HG2 ILE 19 -5.024 -9.134 7.279 133 1HD1 ILE 19 1HD1 ILE 19 -4.085 -6.659 3.134 134 2HD1 ILE 19 2HD1 ILE 19 -4.621 -8.318 3.397 135 3HD1 ILE 19 3HD1 ILE 19 -2.927 -7.986 3.037 136 H HIS 20 H HIS 20 -8.137 -8.402 4.633 137 HA HIS 20 HA HIS 20 -9.373 -7.472 7.169 138 1HB HIS 20 2HB HIS 20 -9.794 -5.887 5.167 139 2HB HIS 20 1HB HIS 20 -10.814 -7.178 4.532 140 HD1 HIS 20 1HD HIS 20 -11.719 -8.028 7.549 141 HD2 HIS 20 2HD HIS 20 -12.104 -4.283 5.757 142 HE1 HIS 20 1HE HIS 20 -13.583 -6.832 8.781 143 H SER 21 H SER 21 -11.998 -8.346 5.815 144 HA SER 21 HA SER 21 -12.023 -11.068 6.759 145 1HB SER 21 2HB SER 21 -13.957 -9.862 4.783 146 2HB SER 21 1HB SER 21 -14.294 -10.977 6.103 147 HG SER 21 HG SER 21 -13.188 -8.894 7.210 148 H THR 22 H THR 22 -11.621 -9.596 3.561 149 HA THR 22 HA THR 22 -11.489 -12.271 2.272 150 HB THR 22 HB THR 22 -12.481 -9.800 1.545 151 HG1 THR 22 1HG THR 22 -12.736 -10.784 -0.452 152 1HG2 THR 22 1HG2 THR 22 -9.648 -9.873 0.912 153 2HG2 THR 22 2HG2 THR 22 -10.791 -8.539 0.755 154 3HG2 THR 22 3HG2 THR 22 -10.623 -9.715 -0.549 155 H GLY 23 H GLY 23 -9.420 -10.832 4.155 156 1HA GLY 23 2HA GLY 23 -7.069 -11.334 4.270 157 2HA GLY 23 1HA GLY 23 -7.068 -11.607 2.526 158 H SER 24 H SER 24 -6.249 -9.974 1.295 159 HA SER 24 HA SER 24 -5.928 -7.289 2.580 160 1HB SER 24 2HB SER 24 -4.024 -8.881 1.656 161 2HB SER 24 1HB SER 24 -4.501 -8.204 0.103 162 HG SER 24 HG SER 24 -3.049 -6.776 0.823 163 H ILE 25 H ILE 25 -6.482 -5.415 1.355 164 HA ILE 25 HA ILE 25 -8.301 -5.944 -0.971 165 HB ILE 25 HB ILE 25 -8.356 -3.407 0.607 166 1HG1 ILE 25 2HG1 ILE 25 -9.594 -5.968 1.651 167 2HG1 ILE 25 1HG1 ILE 25 -8.072 -5.317 2.260 168 1HG2 ILE 25 1HG2 ILE 25 -10.786 -3.701 0.258 169 2HG2 ILE 25 2HG2 ILE 25 -10.486 -5.272 -0.484 170 3HG2 ILE 25 3HG2 ILE 25 -9.908 -3.802 -1.268 171 1HD1 ILE 25 1HD1 ILE 25 -10.320 -3.391 2.108 172 2HD1 ILE 25 2HD1 ILE 25 -9.093 -3.593 3.358 173 3HD1 ILE 25 3HD1 ILE 25 -10.488 -4.670 3.311 174 H MET 26 H MET 26 -7.512 -5.197 -2.900 175 HA MET 26 HA MET 26 -5.271 -3.228 -2.856 176 1HB MET 26 2HB MET 26 -6.309 -5.341 -4.727 177 2HB MET 26 1HB MET 26 -5.250 -4.072 -5.344 178 1HG MET 26 2HG MET 26 -3.664 -4.658 -3.426 179 2HG MET 26 1HG MET 26 -4.652 -6.097 -3.177 180 1HE MET 26 1HE MET 26 -1.106 -6.673 -5.116 181 2HE MET 26 2HE MET 26 -1.777 -6.276 -3.536 182 3HE MET 26 3HE MET 26 -1.456 -4.990 -4.697 183 H LYS 27 H LYS 27 -5.702 -1.145 -3.428 184 HA LYS 27 HA LYS 27 -8.238 -0.569 -4.923 185 1HB LYS 27 2HB LYS 27 -7.277 1.789 -3.794 186 2HB LYS 27 1HB LYS 27 -8.520 0.750 -3.096 187 1HG LYS 27 2HG LYS 27 -5.561 0.310 -2.638 188 2HG LYS 27 1HG LYS 27 -6.569 1.272 -1.556 189 1HD LYS 27 2HD LYS 27 -7.841 -1.264 -2.162 190 2HD LYS 27 1HD LYS 27 -6.229 -1.515 -1.492 191 1HE LYS 27 2HE LYS 27 -6.754 -0.403 0.520 192 2HE LYS 27 1HE LYS 27 -8.137 0.442 -0.204 193 1HZ LYS 27 1HZ LYS 27 -9.032 -1.359 1.016 194 2HZ LYS 27 2HZ LYS 27 -9.101 -1.825 -0.616 195 H ARG 28 H ARG 28 -8.119 1.068 -6.609 196 HA ARG 28 HA ARG 28 -5.501 1.106 -7.992 197 1HB ARG 28 2HB ARG 28 -7.929 0.626 -8.901 198 2HB ARG 28 1HB ARG 28 -8.038 2.386 -8.973 199 1HG ARG 28 2HG ARG 28 -6.846 2.394 -10.878 200 2HG ARG 28 1HG ARG 28 -5.503 1.605 -10.048 201 1HD ARG 28 2HD ARG 28 -7.768 0.334 -11.591 202 2HD ARG 28 1HD ARG 28 -6.023 0.037 -11.726 203 HE ARG 28 HE ARG 28 -7.413 -0.635 -9.175 204 1HH1 ARG 28 1HH1 ARG 28 -5.649 -1.483 -12.013 205 1HH2 ARG 28 1HH2 ARG 28 -6.941 -2.722 -8.445 206 2HH2 ARG 28 2HH2 ARG 28 -6.011 -3.785 -9.446 207 H LYS 29 H LYS 29 -4.289 2.966 -8.287 208 HA LYS 29 HA LYS 29 -4.678 5.223 -6.529 209 1HB LYS 29 2HB LYS 29 -2.855 4.416 -8.756 210 2HB LYS 29 1HB LYS 29 -2.830 6.094 -8.212 211 1HG LYS 29 2HG LYS 29 -2.405 3.645 -6.476 212 2HG LYS 29 1HG LYS 29 -1.170 4.808 -6.959 213 1HD LYS 29 2HD LYS 29 -3.617 5.850 -5.594 214 2HD LYS 29 1HD LYS 29 -2.412 5.016 -4.611 215 1HE LYS 29 2HE LYS 29 -1.271 6.979 -4.555 216 2HE LYS 29 1HE LYS 29 -0.924 6.730 -6.278 217 1HZ LYS 29 1HZ LYS 29 -3.424 7.943 -5.223 218 2HZ LYS 29 2HZ LYS 29 -2.979 7.792 -6.856 219 H LYS 30 H LYS 30 -5.454 4.599 -9.916 220 HA LYS 30 HA LYS 30 -5.879 7.085 -11.024 221 1HB LYS 30 2HB LYS 30 -7.328 4.463 -11.107 222 2HB LYS 30 1HB LYS 30 -8.030 5.835 -11.965 223 1HG LYS 30 2HG LYS 30 -5.127 5.469 -12.377 224 2HG LYS 30 1HG LYS 30 -6.140 4.183 -13.035 225 1HD LYS 30 2HD LYS 30 -7.579 6.128 -14.000 226 2HD LYS 30 1HD LYS 30 -6.148 7.118 -13.709 227 1HE LYS 30 2HE LYS 30 -6.052 6.258 -15.998 228 2HE LYS 30 1HE LYS 30 -4.809 5.429 -15.039 229 1HZ LYS 30 1HZ LYS 30 -7.547 4.433 -15.624 230 2HZ LYS 30 2HZ LYS 30 -6.093 3.798 -16.231 231 H ASP 31 H ASP 31 -8.596 5.382 -9.411 232 HA ASP 31 HA ASP 31 -9.624 8.075 -8.576 233 1HB ASP 31 2HB ASP 31 -10.901 6.701 -10.273 234 2HB ASP 31 1HB ASP 31 -11.139 5.486 -9.017 235 H ASP 32 H ASP 32 -7.746 6.129 -7.132 236 HA ASP 32 HA ASP 32 -7.536 5.173 -4.968 237 1HB ASP 32 2HB ASP 32 -8.859 7.777 -4.945 238 2HB ASP 32 1HB ASP 32 -9.273 6.820 -3.523 239 H TRP 33 H TRP 33 -9.171 3.523 -6.321 240 HA TRP 33 HA TRP 33 -11.772 3.281 -4.923 241 1HB TRP 33 2HB TRP 33 -11.008 1.148 -6.761 242 2HB TRP 33 1HB TRP 33 -12.362 2.272 -6.864 243 HD1 TRP 33 HD TRP 33 -8.514 2.529 -7.294 244 HE1 TRP 33 1HE TRP 33 -8.043 4.013 -9.349 245 HE3 TRP 33 3HE TRP 33 -13.296 3.674 -8.668 246 HZ2 TRP 33 2HZ TRP 33 -9.503 5.489 -11.317 247 HZ3 TRP 33 3HZ TRP 33 -13.728 5.118 -10.635 248 HH2 TRP 33 HH TRP 33 -11.840 6.026 -11.960 249 H VAL 34 H VAL 34 -12.349 1.202 -3.895 250 HA VAL 34 HA VAL 34 -9.974 -0.329 -2.892 251 HB VAL 34 HB VAL 34 -11.349 1.456 -1.429 252 1HG1 VAL 34 1HG1 VAL 34 -12.868 -1.146 -1.073 253 2HG1 VAL 34 2HG1 VAL 34 -13.510 0.304 -1.844 254 3HG1 VAL 34 3HG1 VAL 34 -13.098 0.325 -0.130 255 1HG2 VAL 34 1HG2 VAL 34 -10.182 0.558 0.314 256 2HG2 VAL 34 2HG2 VAL 34 -9.523 -0.517 -0.919 257 3HG2 VAL 34 3HG2 VAL 34 -10.879 -1.044 0.079 258 H ASN 35 H ASN 35 -10.406 -2.589 -2.500 259 HA ASN 35 HA ASN 35 -12.217 -3.870 -4.290 260 1HB ASN 35 2HB ASN 35 -10.189 -4.892 -3.360 261 2HB ASN 35 1HB ASN 35 -10.875 -4.816 -1.737 262 1HD2 ASN 35 1HD2 ASN 35 -10.753 -7.204 -1.595 263 2HD2 ASN 35 2HD2 ASN 35 -11.883 -8.169 -2.415 264 H ALA 36 H ALA 36 -14.386 -3.207 -4.020 265 HA ALA 36 HA ALA 36 -15.876 -2.642 -1.773 266 1HB ALA 36 1HB ALA 36 -17.758 -3.264 -3.094 267 2HB ALA 36 2HB ALA 36 -16.855 -4.533 -3.921 268 3HB ALA 36 3HB ALA 36 -16.512 -2.838 -4.266 269 H THR 37 H THR 37 -14.466 -5.737 -2.569 270 HA THR 37 HA THR 37 -16.165 -7.450 -1.018 271 HB THR 37 HB THR 37 -13.179 -7.718 -1.460 272 HG1 THR 37 1HG THR 37 -14.843 -8.854 -3.301 273 1HG2 THR 37 1HG2 THR 37 -14.080 -10.161 -1.817 274 2HG2 THR 37 2HG2 THR 37 -15.478 -9.570 -0.919 275 3HG2 THR 37 3HG2 THR 37 -13.877 -9.538 -0.180 276 H HIS 38 H HIS 38 -13.056 -5.876 -0.190 277 HA HIS 38 HA HIS 38 -12.939 -6.682 2.537 278 1HB HIS 38 2HB HIS 38 -11.038 -5.462 2.340 279 2HB HIS 38 1HB HIS 38 -11.564 -5.006 0.718 280 HD1 HIS 38 1HD HIS 38 -11.471 -2.534 0.472 281 HD2 HIS 38 2HD HIS 38 -12.717 -3.637 4.294 282 HE1 HIS 38 1HE HIS 38 -11.954 -0.382 1.717 283 H ILE 39 H ILE 39 -14.785 -4.214 0.887 284 HA ILE 39 HA ILE 39 -15.724 -2.957 3.397 285 HB ILE 39 HB ILE 39 -15.842 -2.500 0.446 286 1HG1 ILE 39 2HG1 ILE 39 -15.685 -0.082 1.764 287 2HG1 ILE 39 1HG1 ILE 39 -14.884 -1.177 2.891 288 1HG2 ILE 39 1HG2 ILE 39 -17.645 -0.859 0.675 289 2HG2 ILE 39 2HG2 ILE 39 -17.817 -1.259 2.384 290 3HG2 ILE 39 3HG2 ILE 39 -18.222 -2.456 1.153 291 1HD1 ILE 39 1HD1 ILE 39 -13.281 -0.229 1.256 292 2HD1 ILE 39 2HD1 ILE 39 -14.230 -0.922 -0.060 293 3HD1 ILE 39 3HD1 ILE 39 -13.414 -1.981 1.092 294 H LEU 40 H LEU 40 -17.049 -4.790 0.638 295 HA LEU 40 HA LEU 40 -19.649 -5.135 2.019 296 1HB LEU 40 2HB LEU 40 -18.555 -5.204 -0.676 297 2HB LEU 40 1HB LEU 40 -19.544 -6.630 -0.361 298 HG LEU 40 HG LEU 40 -21.141 -5.088 -1.098 299 1HD1 LEU 40 1HD1 LEU 40 -21.759 -3.996 1.424 300 2HD1 LEU 40 2HD1 LEU 40 -20.973 -5.541 1.759 301 3HD1 LEU 40 3HD1 LEU 40 -22.402 -5.483 0.727 302 1HD2 LEU 40 1HD2 LEU 40 -20.200 -3.021 -1.385 303 2HD2 LEU 40 2HD2 LEU 40 -19.251 -3.139 0.097 304 3HD2 LEU 40 3HD2 LEU 40 -20.954 -2.690 0.175 305 H LYS 41 H LYS 41 -17.064 -7.210 0.654 306 HA LYS 41 HA LYS 41 -18.115 -9.687 1.678 307 1HB LYS 41 2HB LYS 41 -16.391 -10.450 0.421 308 2HB LYS 41 1HB LYS 41 -16.029 -8.764 0.045 309 1HG LYS 41 2HG LYS 41 -14.053 -9.061 1.091 310 2HG LYS 41 1HG LYS 41 -14.960 -9.153 2.602 311 1HD LYS 41 2HD LYS 41 -13.870 -11.371 0.908 312 2HD LYS 41 1HD LYS 41 -13.846 -11.188 2.663 313 1HE LYS 41 2HE LYS 41 -16.585 -11.310 1.702 314 2HE LYS 41 1HE LYS 41 -15.667 -12.738 1.182 315 1HZ LYS 41 1HZ LYS 41 -16.036 -13.418 3.284 316 2HZ LYS 41 2HZ LYS 41 -14.736 -12.390 3.659 317 H ALA 42 H ALA 42 -16.187 -7.130 3.071 318 HA ALA 42 HA ALA 42 -15.018 -8.575 5.264 319 1HB ALA 42 1HB ALA 42 -15.837 -5.684 4.834 320 2HB ALA 42 2HB ALA 42 -14.235 -6.383 4.590 321 3HB ALA 42 3HB ALA 42 -14.890 -6.226 6.220 322 H ALA 43 H ALA 43 -18.218 -7.316 4.656 323 HA ALA 43 HA ALA 43 -19.046 -8.189 7.405 324 1HB ALA 43 1HB ALA 43 -19.261 -5.656 5.993 325 2HB ALA 43 2HB ALA 43 -19.592 -6.012 7.688 326 3HB ALA 43 3HB ALA 43 -20.850 -6.250 6.475 327 H ASN 44 H ASN 44 -19.252 -8.955 4.196 328 HA ASN 44 HA ASN 44 -21.940 -10.213 4.582 329 1HB ASN 44 2HB ASN 44 -22.748 -9.276 2.605 330 2HB ASN 44 1HB ASN 44 -21.720 -7.969 3.190 331 1HD2 ASN 44 1HD2 ASN 44 -19.165 -8.809 2.519 332 2HD2 ASN 44 2HD2 ASN 44 -19.032 -9.023 0.841 333 H PHE 45 H PHE 45 -18.849 -10.928 4.313 334 HA PHE 45 HA PHE 45 -17.595 -12.681 3.326 335 1HB PHE 45 2HB PHE 45 -19.811 -14.433 2.809 336 2HB PHE 45 1HB PHE 45 -18.673 -14.484 4.155 337 HD1 PHE 45 1HD PHE 45 -19.078 -12.689 6.051 338 HD2 PHE 45 2HD PHE 45 -22.063 -13.994 3.253 339 HE1 PHE 45 1HE PHE 45 -20.860 -11.917 7.592 340 HE2 PHE 45 2HE PHE 45 -23.846 -13.221 4.795 341 HZ PHE 45 HZ PHE 45 -23.244 -12.183 6.965 342 H ALA 46 H ALA 46 -16.957 -13.395 1.255 343 HA ALA 46 HA ALA 46 -18.389 -12.179 -1.021 344 1HB ALA 46 1HB ALA 46 -16.037 -13.942 -1.428 345 2HB ALA 46 2HB ALA 46 -15.771 -12.565 -0.359 346 3HB ALA 46 3HB ALA 46 -16.326 -12.304 -2.013 347 H LYS 47 H LYS 47 -20.278 -13.460 -1.193 348 HA LYS 47 HA LYS 47 -19.825 -16.202 -2.295 349 1HB LYS 47 2HB LYS 47 -22.132 -15.488 -0.479 350 2HB LYS 47 1HB LYS 47 -21.499 -17.089 -0.864 351 1HG LYS 47 2HG LYS 47 -19.401 -16.533 0.339 352 2HG LYS 47 1HG LYS 47 -20.079 -14.961 0.765 353 1HD LYS 47 2HD LYS 47 -20.509 -17.534 2.028 354 2HD LYS 47 1HD LYS 47 -20.986 -15.930 2.585 355 1HE LYS 47 2HE LYS 47 -22.517 -17.695 0.640 356 2HE LYS 47 1HE LYS 47 -23.018 -17.226 2.277 357 1HZ LYS 47 1HZ LYS 47 -24.053 -15.676 0.883 358 2HZ LYS 47 2HZ LYS 47 -22.686 -14.856 1.469 359 H ALA 48 H ALA 48 -22.474 -16.779 -2.950 360 HA ALA 48 HA ALA 48 -22.946 -15.338 -5.325 361 1HB ALA 48 1HB ALA 48 -25.001 -16.513 -5.341 362 2HB ALA 48 2HB ALA 48 -25.172 -16.411 -3.589 363 3HB ALA 48 3HB ALA 48 -23.992 -17.514 -4.297 364 H LYS 49 H LYS 49 -23.596 -14.529 -2.011 365 HA LYS 49 HA LYS 49 -25.547 -12.442 -2.433 366 1HB LYS 49 2HB LYS 49 -23.772 -13.501 -0.308 367 2HB LYS 49 1HB LYS 49 -24.206 -11.800 -0.135 368 1HG LYS 49 2HG LYS 49 -26.181 -14.066 -0.537 369 2HG LYS 49 1HG LYS 49 -25.837 -13.283 1.005 370 1HD LYS 49 2HD LYS 49 -26.362 -11.180 -0.785 371 2HD LYS 49 1HD LYS 49 -27.583 -12.403 -1.137 372 1HE LYS 49 2HE LYS 49 -28.364 -10.869 0.649 373 2HE LYS 49 1HE LYS 49 -28.146 -12.510 1.291 374 1HZ LYS 49 1HZ LYS 49 -26.941 -11.258 2.788 375 2HZ LYS 49 2HZ LYS 49 -25.731 -11.702 1.679 376 H ARG 50 H ARG 50 -21.992 -12.362 -1.871 377 HA ARG 50 HA ARG 50 -21.662 -9.554 -2.260 378 1HB ARG 50 2HB ARG 50 -19.641 -10.281 -1.558 379 2HB ARG 50 1HB ARG 50 -20.100 -11.950 -1.900 380 1HG ARG 50 2HG ARG 50 -19.651 -10.771 -4.416 381 2HG ARG 50 1HG ARG 50 -18.329 -10.210 -3.391 382 1HD ARG 50 2HD ARG 50 -17.627 -12.432 -2.891 383 2HD ARG 50 1HD ARG 50 -19.144 -13.128 -3.495 384 HE ARG 50 HE ARG 50 -17.490 -11.575 -5.411 385 1HH1 ARG 50 1HH1 ARG 50 -18.716 -14.561 -4.202 386 1HH2 ARG 50 1HH2 ARG 50 -16.991 -12.719 -7.295 387 2HH2 ARG 50 2HH2 ARG 50 -17.362 -14.408 -7.391 388 H THR 51 H THR 51 -22.023 -12.210 -4.528 389 HA THR 51 HA THR 51 -20.966 -10.901 -6.865 390 HB THR 51 HB THR 51 -23.139 -13.007 -6.598 391 HG1 THR 51 1HG THR 51 -20.585 -13.040 -5.864 392 1HG2 THR 51 1HG2 THR 51 -22.995 -12.206 -8.861 393 2HG2 THR 51 2HG2 THR 51 -22.147 -13.751 -8.805 394 3HG2 THR 51 3HG2 THR 51 -21.232 -12.244 -8.821 395 H ARG 52 H ARG 52 -24.152 -10.963 -5.317 396 HA ARG 52 HA ARG 52 -25.331 -9.291 -7.464 397 1HB ARG 52 2HB ARG 52 -26.587 -11.165 -6.473 398 2HB ARG 52 1HB ARG 52 -26.407 -10.451 -4.870 399 1HG ARG 52 2HG ARG 52 -27.943 -8.778 -5.288 400 2HG ARG 52 1HG ARG 52 -27.602 -8.754 -7.019 401 1HD ARG 52 2HD ARG 52 -29.875 -9.787 -6.188 402 2HD ARG 52 1HD ARG 52 -28.953 -10.654 -7.432 403 HE ARG 52 HE ARG 52 -27.897 -11.915 -5.444 404 1HH1 ARG 52 1HH1 ARG 52 -31.023 -10.460 -5.389 405 1HH2 ARG 52 1HH2 ARG 52 -28.693 -13.321 -3.864 406 2HH2 ARG 52 2HH2 ARG 52 -30.327 -13.150 -3.315 407 H ILE 53 H ILE 53 -25.374 -9.064 -3.895 408 HA ILE 53 HA ILE 53 -25.973 -6.367 -3.597 409 HB ILE 53 HB ILE 53 -24.387 -8.407 -2.108 410 1HG1 ILE 53 2HG1 ILE 53 -26.205 -8.373 -0.714 411 2HG1 ILE 53 1HG1 ILE 53 -26.378 -6.620 -0.819 412 1HG2 ILE 53 1HG2 ILE 53 -24.361 -5.445 -1.464 413 2HG2 ILE 53 2HG2 ILE 53 -22.963 -6.473 -1.783 414 3HG2 ILE 53 3HG2 ILE 53 -23.912 -6.705 -0.314 415 1HD1 ILE 53 1HD1 ILE 53 -27.727 -6.725 -2.673 416 2HD1 ILE 53 2HD1 ILE 53 -28.104 -8.314 -2.007 417 3HD1 ILE 53 3HD1 ILE 53 -26.921 -8.160 -3.307 418 H LEU 54 H LEU 54 -22.708 -7.767 -4.083 419 HA LEU 54 HA LEU 54 -21.327 -5.225 -4.085 420 1HB LEU 54 2HB LEU 54 -20.418 -7.589 -3.734 421 2HB LEU 54 1HB LEU 54 -20.540 -7.798 -5.481 422 HG LEU 54 HG LEU 54 -19.256 -5.348 -5.214 423 1HD1 LEU 54 1HD1 LEU 54 -18.559 -5.389 -3.024 424 2HD1 LEU 54 2HD1 LEU 54 -17.266 -6.370 -3.714 425 3HD1 LEU 54 3HD1 LEU 54 -18.637 -7.148 -2.923 426 1HD2 LEU 54 1HD2 LEU 54 -17.225 -7.231 -5.521 427 2HD2 LEU 54 2HD2 LEU 54 -18.197 -6.540 -6.820 428 3HD2 LEU 54 3HD2 LEU 54 -18.666 -8.076 -6.089 429 H GLU 55 H GLU 55 -22.111 -7.447 -6.764 430 HA GLU 55 HA GLU 55 -21.433 -5.795 -8.936 431 1HB GLU 55 2HB GLU 55 -22.667 -8.252 -8.472 432 2HB GLU 55 1HB GLU 55 -23.893 -7.327 -9.338 433 1HG GLU 55 2HG GLU 55 -22.283 -8.627 -10.813 434 2HG GLU 55 1HG GLU 55 -22.402 -6.903 -11.170 435 H LYS 56 H LYS 56 -24.570 -5.996 -7.221 436 HA LYS 56 HA LYS 56 -25.829 -3.924 -8.818 437 1HB LYS 56 2HB LYS 56 -27.475 -5.127 -7.802 438 2HB LYS 56 1HB LYS 56 -26.393 -5.669 -6.519 439 1HG LYS 56 2HG LYS 56 -26.882 -2.837 -6.249 440 2HG LYS 56 1HG LYS 56 -28.416 -3.704 -6.329 441 1HD LYS 56 2HD LYS 56 -28.124 -4.579 -4.272 442 2HD LYS 56 1HD LYS 56 -26.487 -5.108 -4.661 443 1HE LYS 56 2HE LYS 56 -26.557 -3.419 -2.793 444 2HE LYS 56 1HE LYS 56 -25.617 -2.856 -4.190 445 1HZ LYS 56 1HZ LYS 56 -27.028 -1.099 -3.969 446 2HZ LYS 56 2HZ LYS 56 -27.998 -2.079 -4.960 447 H GLU 57 H GLU 57 -23.740 -3.958 -6.031 448 HA GLU 57 HA GLU 57 -24.391 -1.168 -5.279 449 1HB GLU 57 2HB GLU 57 -23.919 -3.058 -3.660 450 2HB GLU 57 1HB GLU 57 -22.255 -3.060 -4.245 451 1HG GLU 57 2HG GLU 57 -23.372 -1.402 -2.235 452 2HG GLU 57 1HG GLU 57 -21.746 -1.321 -2.913 453 H VAL 58 H VAL 58 -21.563 -3.029 -6.451 454 HA VAL 58 HA VAL 58 -20.040 -0.563 -6.972 455 HB VAL 58 HB VAL 58 -19.304 -2.981 -6.194 456 1HG1 VAL 58 1HG1 VAL 58 -18.486 -4.303 -8.161 457 2HG1 VAL 58 2HG1 VAL 58 -19.353 -3.190 -9.219 458 3HG1 VAL 58 3HG1 VAL 58 -20.244 -4.197 -8.078 459 1HG2 VAL 58 1HG2 VAL 58 -17.265 -2.359 -8.051 460 2HG2 VAL 58 2HG2 VAL 58 -17.352 -1.863 -6.361 461 3HG2 VAL 58 3HG2 VAL 58 -18.013 -0.821 -7.620 462 H LEU 59 H LEU 59 -21.417 -3.233 -8.937 463 HA LEU 59 HA LEU 59 -20.749 -2.572 -11.508 464 1HB LEU 59 2HB LEU 59 -22.311 -4.362 -10.864 465 2HB LEU 59 1HB LEU 59 -23.531 -3.160 -10.436 466 HG LEU 59 HG LEU 59 -23.772 -4.217 -12.751 467 1HD1 LEU 59 1HD1 LEU 59 -24.107 -1.538 -11.839 468 2HD1 LEU 59 2HD1 LEU 59 -25.005 -2.367 -13.110 469 3HD1 LEU 59 3HD1 LEU 59 -23.546 -1.458 -13.508 470 1HD2 LEU 59 1HD2 LEU 59 -21.418 -2.387 -13.324 471 2HD2 LEU 59 2HD2 LEU 59 -22.294 -3.369 -14.499 472 3HD2 LEU 59 3HD2 LEU 59 -21.318 -4.146 -13.252 473 H LYS 60 H LYS 60 -23.294 -0.934 -9.606 474 HA LYS 60 HA LYS 60 -23.660 1.119 -11.695 475 1HB LYS 60 2HB LYS 60 -24.942 0.186 -9.193 476 2HB LYS 60 1HB LYS 60 -25.060 1.924 -9.479 477 1HG LYS 60 2HG LYS 60 -26.201 1.635 -11.522 478 2HG LYS 60 1HG LYS 60 -25.692 -0.048 -11.670 479 1HD LYS 60 2HD LYS 60 -27.484 0.923 -9.433 480 2HD LYS 60 1HD LYS 60 -28.116 0.304 -10.960 481 1HE LYS 60 2HE LYS 60 -27.010 -1.848 -10.599 482 2HE LYS 60 1HE LYS 60 -26.251 -1.235 -9.116 483 1HZ LYS 60 1HZ LYS 60 -29.162 -0.993 -9.457 484 2HZ LYS 60 2HZ LYS 60 -28.253 -1.103 -8.026 485 H GLU 61 H GLU 61 -21.853 0.619 -8.774 486 HA GLU 61 HA GLU 61 -21.149 3.521 -8.609 487 1HB GLU 61 2HB GLU 61 -21.719 2.882 -6.471 488 2HB GLU 61 1HB GLU 61 -21.311 1.191 -6.762 489 1HG GLU 61 2HG GLU 61 -19.741 2.305 -5.165 490 2HG GLU 61 1HG GLU 61 -18.931 1.691 -6.607 491 H THR 62 H THR 62 -19.138 4.134 -9.318 492 HA THR 62 HA THR 62 -17.318 3.087 -10.882 493 HB THR 62 HB THR 62 -16.592 4.123 -8.122 494 HG1 THR 62 1HG THR 62 -17.992 5.264 -9.916 495 1HG2 THR 62 1HG2 THR 62 -14.596 5.026 -9.500 496 2HG2 THR 62 2HG2 THR 62 -15.050 3.808 -10.692 497 3HG2 THR 62 3HG2 THR 62 -14.586 3.316 -9.063 498 H HIS 63 H HIS 63 -18.093 0.675 -10.456 499 HA HIS 63 HA HIS 63 -16.786 -0.784 -8.305 500 1HB HIS 63 2HB HIS 63 -18.464 -2.135 -8.994 501 2HB HIS 63 1HB HIS 63 -18.664 -1.200 -10.476 502 HD1 HIS 63 1HD HIS 63 -16.134 -3.733 -9.127 503 HD2 HIS 63 2HD HIS 63 -18.033 -2.706 -12.692 504 HE1 HIS 63 1HE HIS 63 -15.340 -5.395 -10.866 505 H GLU 64 H GLU 64 -15.234 -2.636 -8.880 506 HA GLU 64 HA GLU 64 -13.469 -1.999 -11.201 507 1HB GLU 64 2HB GLU 64 -12.780 -2.065 -8.259 508 2HB GLU 64 1HB GLU 64 -11.546 -2.275 -9.501 509 1HG GLU 64 2HG GLU 64 -13.429 0.036 -9.760 510 2HG GLU 64 1HG GLU 64 -12.138 0.141 -8.562 511 H LYS 65 H LYS 65 -12.905 -3.872 -12.227 512 HA LYS 65 HA LYS 65 -13.193 -6.454 -10.723 513 1HB LYS 65 2HB LYS 65 -13.801 -7.412 -12.861 514 2HB LYS 65 1HB LYS 65 -14.732 -5.926 -12.671 515 1HG LYS 65 2HG LYS 65 -12.587 -4.878 -13.875 516 2HG LYS 65 1HG LYS 65 -12.460 -6.518 -14.513 517 1HD LYS 65 2HD LYS 65 -14.408 -4.418 -15.145 518 2HD LYS 65 1HD LYS 65 -13.963 -5.854 -16.070 519 1HE LYS 65 2HE LYS 65 -15.324 -7.181 -14.308 520 2HE LYS 65 1HE LYS 65 -16.019 -5.608 -13.868 521 1HZ LYS 65 1HZ LYS 65 -17.089 -6.980 -15.778 522 2HZ LYS 65 2HZ LYS 65 -16.899 -5.302 -15.956 523 H VAL 66 H VAL 66 -10.990 -6.597 -9.981 524 HA VAL 66 HA VAL 66 -8.822 -6.325 -11.980 525 HB VAL 66 HB VAL 66 -8.472 -5.301 -9.844 526 1HG1 VAL 66 1HG1 VAL 66 -9.218 -6.150 -7.868 527 2HG1 VAL 66 2HG1 VAL 66 -8.664 -7.780 -8.248 528 3HG1 VAL 66 3HG1 VAL 66 -10.199 -7.198 -8.891 529 1HG2 VAL 66 1HG2 VAL 66 -6.720 -7.073 -10.896 530 2HG2 VAL 66 2HG2 VAL 66 -6.969 -7.812 -9.315 531 3HG2 VAL 66 3HG2 VAL 66 -6.383 -6.153 -9.432 532 H GLN 67 H GLN 67 -8.158 -8.102 -13.102 533 HA GLN 67 HA GLN 67 -8.162 -10.757 -11.739 534 1HB GLN 67 2HB GLN 67 -8.979 -11.191 -14.403 535 2HB GLN 67 1HB GLN 67 -9.977 -11.340 -12.956 536 1HG GLN 67 2HG GLN 67 -9.724 -8.560 -13.564 537 2HG GLN 67 1HG GLN 67 -10.181 -9.400 -15.046 538 1HE2 GLN 67 1HE2 GLN 67 -12.243 -7.959 -14.378 539 2HE2 GLN 67 2HE2 GLN 67 -13.415 -8.784 -13.469 540 H GLY 68 H GLY 68 -6.674 -12.281 -12.788 541 1HA GLY 68 2HA GLY 68 -4.944 -12.850 -14.361 542 2HA GLY 68 1HA GLY 68 -4.915 -11.169 -14.897 543 H GLY 69 H GLY 69 -4.983 -11.477 -11.503 544 1HA GLY 69 2HA GLY 69 -3.206 -11.535 -9.902 545 2HA GLY 69 1HA GLY 69 -2.046 -11.595 -11.228 546 H PHE 70 H PHE 70 -3.923 -9.237 -12.285 547 HA PHE 70 HA PHE 70 -2.181 -7.123 -11.152 548 1HB PHE 70 2HB PHE 70 -4.021 -7.505 -13.488 549 2HB PHE 70 1HB PHE 70 -3.664 -5.858 -12.966 550 HD1 PHE 70 1HD PHE 70 -2.678 -5.980 -15.456 551 HD2 PHE 70 2HD PHE 70 -0.985 -7.924 -12.020 552 HE1 PHE 70 1HE PHE 70 -0.481 -6.091 -16.600 553 HE2 PHE 70 2HE PHE 70 1.211 -8.035 -13.165 554 HZ PHE 70 HZ PHE 70 1.464 -7.117 -15.455 555 H GLY 71 H GLY 71 -3.117 -6.918 -9.009 556 1HA GLY 71 2HA GLY 71 -4.523 -5.674 -7.557 557 2HA GLY 71 1HA GLY 71 -5.519 -5.235 -8.948 558 H LYS 72 H LYS 72 -4.699 -8.575 -8.437 559 HA LYS 72 HA LYS 72 -7.487 -9.357 -8.335 560 1HB LYS 72 2HB LYS 72 -6.568 -11.553 -8.340 561 2HB LYS 72 1HB LYS 72 -5.384 -10.588 -9.222 562 1HG LYS 72 2HG LYS 72 -4.150 -11.915 -7.644 563 2HG LYS 72 1HG LYS 72 -4.165 -10.265 -7.019 564 1HD LYS 72 2HD LYS 72 -4.771 -11.462 -5.116 565 2HD LYS 72 1HD LYS 72 -6.355 -11.070 -5.787 566 1HE LYS 72 2HE LYS 72 -5.152 -13.559 -6.851 567 2HE LYS 72 1HE LYS 72 -5.600 -13.611 -5.134 568 1HZ LYS 72 1HZ LYS 72 -7.366 -13.973 -7.081 569 2HZ LYS 72 2HZ LYS 72 -7.776 -13.275 -5.587 570 H TYR 73 H TYR 73 -5.210 -8.317 -5.988 571 HA TYR 73 HA TYR 73 -6.221 -9.755 -3.690 572 1HB TYR 73 2HB TYR 73 -4.369 -7.575 -4.363 573 2HB TYR 73 1HB TYR 73 -5.188 -7.322 -2.821 574 HD1 TYR 73 1HD TYR 73 -5.178 -10.765 -3.517 575 HD2 TYR 73 2HD TYR 73 -2.607 -7.607 -2.151 576 HE1 TYR 73 1HE TYR 73 -3.691 -12.438 -2.449 577 HE2 TYR 73 2HE TYR 73 -1.119 -9.280 -1.083 578 HH TYR 73 HH TYR 73 -1.858 -12.767 -1.254 579 H GLN 74 H GLN 74 -7.164 -6.880 -5.472 580 HA GLN 74 HA GLN 74 -9.160 -6.108 -3.410 581 1HB GLN 74 2HB GLN 74 -9.496 -4.230 -5.117 582 2HB GLN 74 1HB GLN 74 -7.887 -4.330 -4.400 583 1HG GLN 74 2HG GLN 74 -8.055 -6.037 -6.731 584 2HG GLN 74 1HG GLN 74 -8.520 -4.386 -7.144 585 1HE2 GLN 74 1HE2 GLN 74 -5.836 -6.428 -6.200 586 2HE2 GLN 74 2HE2 GLN 74 -4.644 -5.221 -6.254 587 H GLY 75 H GLY 75 -9.060 -7.065 -6.871 588 1HA GLY 75 2HA GLY 75 -10.670 -8.239 -8.127 589 2HA GLY 75 1HA GLY 75 -11.512 -8.584 -6.616 590 H THR 76 H THR 76 -12.469 -6.408 -5.628 591 HA THR 76 HA THR 76 -13.813 -4.911 -7.855 592 HB THR 76 HB THR 76 -14.942 -5.943 -5.233 593 HG1 THR 76 1HG THR 76 -14.725 -6.959 -7.747 594 1HG2 THR 76 1HG2 THR 76 -17.114 -5.244 -6.573 595 2HG2 THR 76 2HG2 THR 76 -15.999 -4.137 -7.374 596 3HG2 THR 76 3HG2 THR 76 -16.224 -4.051 -5.627 597 H TRP 77 H TRP 77 -12.294 -3.123 -7.528 598 HA TRP 77 HA TRP 77 -12.081 -1.892 -4.868 599 1HB TRP 77 2HB TRP 77 -11.201 -0.268 -7.106 600 2HB TRP 77 1HB TRP 77 -10.235 -1.019 -5.835 601 HD1 TRP 77 HD TRP 77 -10.786 -4.039 -6.433 602 HE1 TRP 77 1HE TRP 77 -9.821 -5.137 -8.558 603 HE3 TRP 77 3HE TRP 77 -10.018 0.114 -9.301 604 HZ2 TRP 77 2HZ TRP 77 -8.852 -4.356 -11.134 605 HZ3 TRP 77 3HZ TRP 77 -9.074 -0.090 -11.584 606 HH2 TRP 77 HH TRP 77 -8.490 -2.317 -12.502 607 H VAL 78 H VAL 78 -13.021 0.091 -4.270 608 HA VAL 78 HA VAL 78 -15.074 1.224 -6.141 609 HB VAL 78 HB VAL 78 -15.907 1.591 -3.461 610 1HG1 VAL 78 1HG1 VAL 78 -17.275 1.174 -5.538 611 2HG1 VAL 78 2HG1 VAL 78 -17.777 0.217 -4.145 612 3HG1 VAL 78 3HG1 VAL 78 -16.822 -0.528 -5.427 613 1HG2 VAL 78 1HG2 VAL 78 -15.822 -0.593 -2.477 614 2HG2 VAL 78 2HG2 VAL 78 -14.178 -0.234 -3.004 615 3HG2 VAL 78 3HG2 VAL 78 -15.195 -1.310 -3.961 616 HA PRO 79 HA PRO 79 -13.070 5.091 -5.572 617 1HB PRO 79 2HB PRO 79 -15.814 6.192 -5.188 618 2HB PRO 79 1HB PRO 79 -14.557 6.679 -6.341 619 1HG PRO 79 2HG PRO 79 -16.717 5.252 -7.071 620 2HG PRO 79 1HG PRO 79 -15.145 5.091 -7.865 621 1HD PRO 79 2HD PRO 79 -16.527 3.223 -6.050 622 2HD PRO 79 1HD PRO 79 -15.282 2.903 -7.276 623 H LEU 80 H LEU 80 -12.093 5.499 -3.611 624 HA LEU 80 HA LEU 80 -13.010 4.836 -1.060 625 1HB LEU 80 2HB LEU 80 -11.201 6.152 -0.324 626 2HB LEU 80 1HB LEU 80 -10.753 5.778 -1.990 627 HG LEU 80 HG LEU 80 -12.376 8.239 -1.424 628 1HD1 LEU 80 1HD1 LEU 80 -9.847 7.744 -0.241 629 2HD1 LEU 80 2HD1 LEU 80 -10.714 9.278 -0.318 630 3HD1 LEU 80 3HD1 LEU 80 -9.565 8.849 -1.585 631 1HD2 LEU 80 1HD2 LEU 80 -11.157 7.012 -3.673 632 2HD2 LEU 80 2HD2 LEU 80 -10.234 8.476 -3.338 633 3HD2 LEU 80 3HD2 LEU 80 -11.972 8.575 -3.616 634 H ASN 81 H ASN 81 -13.806 7.678 -3.003 635 HA ASN 81 HA ASN 81 -15.022 9.239 -0.904 636 1HB ASN 81 2HB ASN 81 -14.452 10.383 -2.875 637 2HB ASN 81 1HB ASN 81 -15.101 9.111 -3.912 638 1HD2 ASN 81 1HD2 ASN 81 -15.749 12.176 -3.441 639 2HD2 ASN 81 2HD2 ASN 81 -17.445 12.181 -3.372 640 H ILE 82 H ILE 82 -16.243 6.794 -3.173 641 HA ILE 82 HA ILE 82 -18.958 6.979 -1.956 642 HB ILE 82 HB ILE 82 -18.485 6.984 -4.465 643 1HG1 ILE 82 2HG1 ILE 82 -20.594 6.007 -3.076 644 2HG1 ILE 82 1HG1 ILE 82 -20.528 6.007 -4.839 645 1HG2 ILE 82 1HG2 ILE 82 -16.705 5.361 -4.570 646 2HG2 ILE 82 2HG2 ILE 82 -18.091 4.671 -5.416 647 3HG2 ILE 82 3HG2 ILE 82 -17.701 4.139 -3.780 648 1HD1 ILE 82 1HD1 ILE 82 -21.145 3.779 -3.786 649 2HD1 ILE 82 2HD1 ILE 82 -19.498 3.712 -3.156 650 3HD1 ILE 82 3HD1 ILE 82 -19.777 3.729 -4.898 651 H ALA 83 H ALA 83 -16.205 4.799 -2.384 652 HA ALA 83 HA ALA 83 -17.395 2.408 -1.355 653 1HB ALA 83 1HB ALA 83 -14.517 3.169 -0.921 654 2HB ALA 83 2HB ALA 83 -15.119 2.965 -2.566 655 3HB ALA 83 3HB ALA 83 -15.189 1.619 -1.429 656 H LYS 84 H LYS 84 -15.201 4.723 0.329 657 HA LYS 84 HA LYS 84 -15.477 3.658 2.924 658 1HB LYS 84 2HB LYS 84 -14.741 6.236 1.640 659 2HB LYS 84 1HB LYS 84 -15.128 6.314 3.359 660 1HG LYS 84 2HG LYS 84 -13.533 4.338 3.664 661 2HG LYS 84 1HG LYS 84 -12.996 4.646 2.011 662 1HD LYS 84 2HD LYS 84 -13.103 6.941 3.936 663 2HD LYS 84 1HD LYS 84 -11.765 5.797 4.056 664 1HE LYS 84 2HE LYS 84 -11.070 6.234 1.796 665 2HE LYS 84 1HE LYS 84 -12.554 7.145 1.453 666 1HZ LYS 84 1HZ LYS 84 -11.837 8.930 2.596 667 2HZ LYS 84 2HZ LYS 84 -11.067 8.001 3.792 668 H GLN 85 H GLN 85 -17.614 5.841 1.126 669 HA GLN 85 HA GLN 85 -19.255 6.594 3.385 670 1HB GLN 85 2HB GLN 85 -19.317 7.991 1.481 671 2HB GLN 85 1HB GLN 85 -19.483 6.625 0.378 672 1HG GLN 85 2HG GLN 85 -21.630 7.023 2.414 673 2HG GLN 85 1HG GLN 85 -21.581 8.139 1.049 674 1HE2 GLN 85 1HE2 GLN 85 -20.210 5.515 -0.288 675 2HE2 GLN 85 2HE2 GLN 85 -21.580 4.691 -0.855 676 H LEU 86 H LEU 86 -19.243 3.890 1.129 677 HA LEU 86 HA LEU 86 -21.875 2.910 2.032 678 1HB LEU 86 2HB LEU 86 -21.004 2.750 -0.315 679 2HB LEU 86 1HB LEU 86 -19.757 1.654 0.275 680 HG LEU 86 HG LEU 86 -22.751 1.208 0.419 681 1HD1 LEU 86 1HD1 LEU 86 -21.669 0.852 -1.808 682 2HD1 LEU 86 2HD1 LEU 86 -22.308 -0.638 -1.113 683 3HD1 LEU 86 3HD1 LEU 86 -20.576 -0.310 -1.055 684 1HD2 LEU 86 1HD2 LEU 86 -21.987 -1.074 1.280 685 2HD2 LEU 86 2HD2 LEU 86 -21.797 0.270 2.406 686 3HD2 LEU 86 3HD2 LEU 86 -20.399 -0.346 1.526 687 H ALA 87 H ALA 87 -18.441 2.094 2.405 688 HA ALA 87 HA ALA 87 -19.060 -0.213 4.135 689 1HB ALA 87 1HB ALA 87 -16.867 -0.772 3.713 690 2HB ALA 87 2HB ALA 87 -16.313 0.896 3.852 691 3HB ALA 87 3HB ALA 87 -17.094 0.347 2.369 692 H GLU 88 H GLU 88 -17.054 2.745 4.555 693 HA GLU 88 HA GLU 88 -16.450 2.782 7.176 694 1HB GLU 88 2HB GLU 88 -16.176 5.006 6.802 695 2HB GLU 88 1HB GLU 88 -16.673 4.609 5.164 696 1HG GLU 88 2HG GLU 88 -18.728 5.573 5.410 697 2HG GLU 88 1HG GLU 88 -18.885 5.040 7.084 698 H LYS 89 H LYS 89 -19.723 2.806 5.929 699 HA LYS 89 HA LYS 89 -21.038 3.738 8.332 700 1HB LYS 89 2HB LYS 89 -22.018 3.739 6.054 701 2HB LYS 89 1HB LYS 89 -21.969 1.976 6.039 702 1HG LYS 89 2HG LYS 89 -23.404 2.024 8.132 703 2HG LYS 89 1HG LYS 89 -23.609 3.754 7.858 704 1HD LYS 89 2HD LYS 89 -24.223 1.706 5.722 705 2HD LYS 89 1HD LYS 89 -25.432 2.232 6.893 706 1HE LYS 89 2HE LYS 89 -24.119 4.559 5.817 707 2HE LYS 89 1HE LYS 89 -24.704 3.546 4.482 708 1HZ LYS 89 1HZ LYS 89 -26.786 3.289 5.925 709 2HZ LYS 89 2HZ LYS 89 -26.229 4.664 6.753 710 H PHE 90 H PHE 90 -22.091 0.660 7.202 711 HA PHE 90 HA PHE 90 -21.274 -0.581 9.806 712 1HB PHE 90 2HB PHE 90 -23.733 -0.299 8.423 713 2HB PHE 90 1HB PHE 90 -23.305 -2.007 8.329 714 HD1 PHE 90 1HD PHE 90 -24.129 0.788 10.577 715 HD2 PHE 90 2HD PHE 90 -23.074 -3.370 10.348 716 HE1 PHE 90 1HE PHE 90 -24.810 0.484 12.944 717 HE2 PHE 90 2HE PHE 90 -23.754 -3.673 12.713 718 HZ PHE 90 HZ PHE 90 -24.622 -1.747 14.011 719 H SER 91 H SER 91 -20.226 -0.482 6.708 720 HA SER 91 HA SER 91 -20.022 -3.281 6.014 721 1HB SER 91 2HB SER 91 -18.389 -0.896 5.109 722 2HB SER 91 1HB SER 91 -18.591 -2.414 4.240 723 HG SER 91 HG SER 91 -20.383 -1.647 3.479 724 H VAL 92 H VAL 92 -17.150 -1.217 6.311 725 HA VAL 92 HA VAL 92 -15.940 -3.292 8.108 726 HB VAL 92 HB VAL 92 -13.824 -2.197 6.854 727 1HG1 VAL 92 1HG1 VAL 92 -13.679 -4.274 5.973 728 2HG1 VAL 92 2HG1 VAL 92 -15.160 -4.060 5.040 729 3HG1 VAL 92 3HG1 VAL 92 -15.244 -4.586 6.721 730 1HG2 VAL 92 1HG2 VAL 92 -14.981 -0.586 5.525 731 2HG2 VAL 92 2HG2 VAL 92 -16.221 -1.752 5.061 732 3HG2 VAL 92 3HG2 VAL 92 -14.584 -1.902 4.420 733 H TYR 93 H TYR 93 -17.213 -0.324 8.219 734 HA TYR 93 HA TYR 93 -15.577 1.658 9.070 735 1HB TYR 93 2HB TYR 93 -17.787 2.139 9.464 736 2HB TYR 93 1HB TYR 93 -18.139 0.514 10.046 737 HD1 TYR 93 1HD TYR 93 -18.230 3.731 11.105 738 HD2 TYR 93 2HD TYR 93 -16.405 0.011 12.236 739 HE1 TYR 93 1HE TYR 93 -18.049 4.532 13.445 740 HE2 TYR 93 2HE TYR 93 -16.225 0.812 14.577 741 HH TYR 93 HH TYR 93 -16.723 4.079 15.443 742 H ASP 94 H ASP 94 -15.923 -1.449 10.678 743 HA ASP 94 HA ASP 94 -14.299 -0.570 13.001 744 1HB ASP 94 2HB ASP 94 -16.167 -2.696 12.283 745 2HB ASP 94 1HB ASP 94 -14.735 -3.330 13.095 746 H GLN 95 H GLN 95 -14.127 -3.305 10.685 747 HA GLN 95 HA GLN 95 -11.371 -3.902 11.197 748 1HB GLN 95 2HB GLN 95 -13.567 -4.789 9.577 749 2HB GLN 95 1HB GLN 95 -12.132 -4.664 8.557 750 1HG GLN 95 2HG GLN 95 -11.918 -6.825 9.427 751 2HG GLN 95 1HG GLN 95 -10.937 -5.880 10.547 752 1HE2 GLN 95 1HE2 GLN 95 -13.821 -4.770 11.417 753 2HE2 GLN 95 2HE2 GLN 95 -14.307 -5.936 12.550 754 H LEU 96 H LEU 96 -12.955 -1.686 8.944 755 HA LEU 96 HA LEU 96 -10.548 -1.169 7.378 756 1HB LEU 96 2HB LEU 96 -13.371 -0.349 7.524 757 2HB LEU 96 1HB LEU 96 -12.289 0.928 6.973 758 HG LEU 96 HG LEU 96 -13.196 -1.428 5.553 759 1HD1 LEU 96 1HD1 LEU 96 -11.577 1.043 4.897 760 2HD1 LEU 96 2HD1 LEU 96 -13.271 0.726 4.522 761 3HD1 LEU 96 3HD1 LEU 96 -12.000 -0.161 3.679 762 1HD2 LEU 96 1HD2 LEU 96 -10.198 -1.030 5.832 763 2HD2 LEU 96 2HD2 LEU 96 -10.968 -2.062 4.627 764 3HD2 LEU 96 3HD2 LEU 96 -11.114 -2.450 6.341 765 H LYS 97 H LYS 97 -10.769 -0.664 10.486 766 HA LYS 97 HA LYS 97 -10.604 2.084 11.074 767 1HB LYS 97 2HB LYS 97 -10.497 -0.030 12.564 768 2HB LYS 97 1HB LYS 97 -8.765 -0.025 12.225 769 1HG LYS 97 2HG LYS 97 -10.226 1.584 14.111 770 2HG LYS 97 1HG LYS 97 -8.484 1.508 13.847 771 1HD LYS 97 2HD LYS 97 -8.694 3.114 11.984 772 2HD LYS 97 1HD LYS 97 -10.434 3.198 12.255 773 1HE LYS 97 2HE LYS 97 -9.810 3.860 14.696 774 2HE LYS 97 1HE LYS 97 -8.209 4.220 14.019 775 1HZ LYS 97 1HZ LYS 97 -9.314 6.187 13.637 776 2HZ LYS 97 2HZ LYS 97 -9.604 5.369 12.176 777 HA PRO 98 HA PRO 98 -5.944 1.734 9.839 778 1HB PRO 98 2HB PRO 98 -5.814 -0.525 7.993 779 2HB PRO 98 1HB PRO 98 -4.882 -0.250 9.475 780 1HG PRO 98 2HG PRO 98 -6.795 -2.176 9.206 781 2HG PRO 98 1HG PRO 98 -6.310 -1.457 10.749 782 1HD PRO 98 2HD PRO 98 -8.739 -0.957 9.114 783 2HD PRO 98 1HD PRO 98 -8.526 -0.911 10.879 784 H LEU 99 H LEU 99 -8.089 0.335 7.322 785 HA LEU 99 HA LEU 99 -7.077 1.611 5.045 786 1HB LEU 99 2HB LEU 99 -9.139 -0.016 5.613 787 2HB LEU 99 1HB LEU 99 -10.035 1.494 5.438 788 HG LEU 99 HG LEU 99 -8.401 0.017 3.395 789 1HD1 LEU 99 1HD1 LEU 99 -10.415 0.854 2.011 790 2HD1 LEU 99 2HD1 LEU 99 -11.133 1.293 3.562 791 3HD1 LEU 99 3HD1 LEU 99 -10.728 -0.390 3.222 792 1HD2 LEU 99 1HD2 LEU 99 -7.395 2.209 3.355 793 2HD2 LEU 99 2HD2 LEU 99 -8.971 2.993 3.476 794 3HD2 LEU 99 3HD2 LEU 99 -8.525 2.130 2.003 795 H PHE 100 H PHE 100 -9.369 2.910 7.453 796 HA PHE 100 HA PHE 100 -9.690 5.461 6.083 797 1HB PHE 100 2HB PHE 100 -10.621 4.047 8.481 798 2HB PHE 100 1HB PHE 100 -10.418 5.779 8.743 799 HD1 PHE 100 1HD PHE 100 -12.093 7.260 8.047 800 HD2 PHE 100 2HD PHE 100 -11.869 3.348 6.286 801 HE1 PHE 100 1HE PHE 100 -14.200 7.695 6.813 802 HE2 PHE 100 2HE PHE 100 -13.976 3.783 5.053 803 HZ PHE 100 HZ PHE 100 -15.141 5.956 5.316 804 H ASP 101 H ASP 101 -7.571 4.184 8.608 805 HA ASP 101 HA ASP 101 -6.447 6.860 9.190 806 1HB ASP 101 2HB ASP 101 -6.078 4.038 10.208 807 2HB ASP 101 1HB ASP 101 -5.011 5.344 10.722 808 H PHE 102 H PHE 102 -5.276 3.714 7.929 809 HA PHE 102 HA PHE 102 -2.794 3.661 7.289 810 1HB PHE 102 2HB PHE 102 -4.163 2.469 5.803 811 2HB PHE 102 1HB PHE 102 -5.054 3.911 5.318 812 HD1 PHE 102 1HD PHE 102 -4.541 4.883 3.264 813 HD2 PHE 102 2HD PHE 102 -1.543 2.577 5.300 814 HE1 PHE 102 1HE PHE 102 -2.999 5.196 1.347 815 HE2 PHE 102 2HE PHE 102 -0.001 2.890 3.383 816 HZ PHE 102 HZ PHE 102 -0.729 4.199 1.407 817 H THR 103 H THR 103 -1.104 4.845 6.318 818 HA THR 103 HA THR 103 -1.356 7.749 6.375 819 HB THR 103 HB THR 103 1.075 7.239 5.280 820 HG1 THR 103 1HG THR 103 0.953 5.023 6.871 821 1HG2 THR 103 1HG2 THR 103 1.160 6.450 8.056 822 2HG2 THR 103 2HG2 THR 103 0.011 7.770 7.837 823 3HG2 THR 103 3HG2 THR 103 1.684 7.964 7.318 824 H GLN 104 H GLN 104 -3.107 7.783 4.656 825 HA GLN 104 HA GLN 104 -2.007 7.506 1.884 826 1HB GLN 104 2HB GLN 104 -4.439 7.458 1.284 827 2HB GLN 104 1HB GLN 104 -3.994 6.176 2.411 828 1HG GLN 104 2HG GLN 104 -4.710 7.738 4.287 829 2HG GLN 104 1HG GLN 104 -5.399 8.781 3.041 830 1HE2 GLN 104 1HE2 GLN 104 -7.588 8.318 3.911 831 2HE2 GLN 104 2HE2 GLN 104 -8.340 6.833 3.585 832 H THR 105 H THR 105 -1.683 9.376 0.726 833 HA THR 105 HA THR 105 -2.740 11.930 1.882 834 HB THR 105 HB THR 105 -0.773 12.929 1.019 835 HG1 THR 105 1HG THR 105 0.546 11.452 -0.431 836 1HG2 THR 105 1HG2 THR 105 0.475 11.872 2.558 837 2HG2 THR 105 2HG2 THR 105 0.827 10.616 1.372 838 3HG2 THR 105 3HG2 THR 105 -0.557 10.446 2.451 839 H ASP 106 H ASP 106 -3.506 13.547 0.318 840 HA ASP 106 HA ASP 106 -5.478 13.020 -1.409 841 1HB ASP 106 2HB ASP 106 -3.120 14.878 -1.740 842 2HB ASP 106 1HB ASP 106 -4.464 14.902 -2.882 843 H GLY 107 H GLY 107 -2.374 11.675 -1.773 844 1HA GLY 107 2HA GLY 107 -1.946 9.870 -3.331 845 2HA GLY 107 1HA GLY 107 -3.157 10.558 -4.413 846 H SER 108 H SER 108 -1.460 13.146 -3.326 847 HA SER 108 HA SER 108 -0.200 13.789 -5.771 848 1HB SER 108 2HB SER 108 0.596 15.610 -4.555 849 2HB SER 108 1HB SER 108 -0.684 15.061 -3.476 850 HG SER 108 HG SER 108 2.041 15.029 -3.163 851 H ALA 109 H ALA 109 2.297 13.967 -6.025 852 HA ALA 109 HA ALA 109 3.656 11.674 -6.363 853 1HB ALA 109 1HB ALA 109 4.380 14.238 -6.281 854 2HB ALA 109 2HB ALA 109 5.594 12.960 -6.228 855 3HB ALA 109 3HB ALA 109 5.082 13.753 -4.738 856 H SER 110 H SER 110 3.662 9.850 -5.105 857 HA SER 110 HA SER 110 3.967 10.177 -2.137 858 1HB SER 110 2HB SER 110 2.212 8.762 -1.967 859 2HB SER 110 1HB SER 110 1.995 8.949 -3.705 860 HG SER 110 HG SER 110 2.465 6.745 -2.574 861 HA PRO 111 HA PRO 111 7.829 8.086 -2.530 862 1HB PRO 111 2HB PRO 111 7.909 7.075 0.058 863 2HB PRO 111 1HB PRO 111 8.396 8.718 -0.397 864 1HG PRO 111 2HG PRO 111 5.880 7.768 0.848 865 2HG PRO 111 1HG PRO 111 6.751 9.291 1.075 866 1HD PRO 111 2HD PRO 111 4.482 9.073 -0.407 867 2HD PRO 111 1HD PRO 111 5.742 10.289 -0.720 868 HA PRO 112 HA PRO 112 7.455 3.772 -3.234 869 1HB PRO 112 2HB PRO 112 8.797 3.118 -0.644 870 2HB PRO 112 1HB PRO 112 9.179 2.557 -2.284 871 1HG PRO 112 2HG PRO 112 10.627 4.442 -1.017 872 2HG PRO 112 1HG PRO 112 10.424 4.399 -2.773 873 1HD PRO 112 2HD PRO 112 9.312 6.285 -0.816 874 2HD PRO 112 1HD PRO 112 9.526 6.468 -2.570 875 HA PRO 113 HA PRO 113 3.726 2.988 -0.974 876 1HB PRO 113 2HB PRO 113 3.293 0.457 -2.046 877 2HB PRO 113 1HB PRO 113 2.804 1.978 -2.812 878 1HG PRO 113 2HG PRO 113 5.136 0.240 -3.377 879 2HG PRO 113 1HG PRO 113 4.172 1.237 -4.478 880 1HD PRO 113 2HD PRO 113 6.654 1.938 -3.618 881 2HD PRO 113 1HD PRO 113 5.403 3.122 -4.060 882 H ALA 114 H ALA 114 4.342 -0.360 -1.242 883 HA ALA 114 HA ALA 114 4.232 -1.072 1.416 884 1HB ALA 114 1HB ALA 114 4.466 -2.496 -0.697 885 2HB ALA 114 2HB ALA 114 5.312 -3.102 0.728 886 3HB ALA 114 3HB ALA 114 6.208 -2.269 -0.542 887 HA PRO 115 HA PRO 115 7.648 0.551 3.623 888 1HB PRO 115 2HB PRO 115 8.110 -2.168 4.725 889 2HB PRO 115 1HB PRO 115 7.750 -0.654 5.577 890 1HG PRO 115 2HG PRO 115 5.937 -2.618 5.296 891 2HG PRO 115 1HG PRO 115 5.495 -0.907 5.361 892 1HD PRO 115 2HD PRO 115 5.545 -2.752 3.043 893 2HD PRO 115 1HD PRO 115 4.527 -1.325 3.340 894 H LYS 116 H LYS 116 9.490 0.961 2.444 895 HA LYS 116 HA LYS 116 10.801 -1.072 0.820 896 1HB LYS 116 2HB LYS 116 12.468 0.887 0.602 897 2HB LYS 116 1HB LYS 116 10.819 1.182 0.053 898 1HG LYS 116 2HG LYS 116 10.283 2.206 2.244 899 2HG LYS 116 1HG LYS 116 11.948 1.944 2.762 900 1HD LYS 116 2HD LYS 116 12.638 3.283 0.682 901 2HD LYS 116 1HD LYS 116 10.945 3.768 0.572 902 1HE LYS 116 2HE LYS 116 11.594 5.469 1.966 903 2HE LYS 116 1HE LYS 116 11.479 4.233 3.234 904 1HZ LYS 116 1HZ LYS 116 13.899 4.688 1.573 905 2HZ LYS 116 2HZ LYS 116 13.686 5.341 3.126 906 H HIS 117 H HIS 117 13.013 -1.821 1.165 907 HA HIS 117 HA HIS 117 13.782 -1.877 4.063 908 1HB HIS 117 2HB HIS 117 14.542 -3.817 1.864 909 2HB HIS 117 1HB HIS 117 14.624 -4.077 3.607 910 HD1 HIS 117 1HD HIS 117 12.933 -5.956 3.842 911 HD2 HIS 117 2HD HIS 117 11.404 -2.689 1.752 912 HE1 HIS 117 1HE HIS 117 10.455 -6.389 3.548 913 H HIS 118 H HIS 118 15.950 -1.422 4.598 914 HA HIS 118 HA HIS 118 17.465 0.191 2.694 915 1HB HIS 118 2HB HIS 118 19.089 0.124 4.706 916 2HB HIS 118 1HB HIS 118 17.498 0.834 4.984 917 HD1 HIS 118 1HD HIS 118 19.707 -1.884 6.098 918 HD2 HIS 118 2HD HIS 118 15.631 -1.033 6.300 919 HE1 HIS 118 1HE HIS 118 18.739 -3.427 7.858 920 H HIS 119 H HIS 119 19.446 -0.385 1.704 921 HA HIS 119 HA HIS 119 19.908 -3.283 1.375 922 1HB HIS 119 2HB HIS 119 20.064 -1.000 -0.207 923 2HB HIS 119 1HB HIS 119 21.754 -1.405 0.091 924 HD1 HIS 119 1HD HIS 119 21.051 -4.570 0.326 925 HD2 HIS 119 2HD HIS 119 20.196 -2.040 -2.875 926 HE1 HIS 119 1HE HIS 119 20.793 -6.054 -1.710 927 H ALA 120 H ALA 120 20.925 -3.998 3.300 928 HA ALA 120 HA ALA 120 23.251 -2.518 4.367 929 1HB ALA 120 1HB ALA 120 22.473 -3.503 6.244 930 2HB ALA 120 2HB ALA 120 22.826 -5.090 5.560 931 3HB ALA 120 3HB ALA 120 21.253 -4.342 5.286 932 H SER 121 H SER 121 25.280 -3.851 4.821 933 HA SER 121 HA SER 121 25.994 -5.395 2.379 934 1HB SER 121 2HB SER 121 27.478 -3.972 4.588 935 2HB SER 121 1HB SER 121 28.319 -5.049 3.477 936 HG SER 121 HG SER 121 26.625 -3.334 2.208 937 H LYS 122 H LYS 122 24.975 -7.429 2.972 938 HA LYS 122 HA LYS 122 26.076 -8.770 5.408 939 1HB LYS 122 2HB LYS 122 23.731 -8.843 5.437 940 2HB LYS 122 1HB LYS 122 23.622 -9.034 3.686 941 1HG LYS 122 2HG LYS 122 25.119 -11.229 4.810 942 2HG LYS 122 1HG LYS 122 23.568 -11.080 5.638 943 1HD LYS 122 2HD LYS 122 24.093 -11.503 2.698 944 2HD LYS 122 1HD LYS 122 23.078 -12.456 3.783 945 1HE LYS 122 2HE LYS 122 22.517 -9.638 2.790 946 2HE LYS 122 1HE LYS 122 21.597 -11.108 2.411 947 1HZ LYS 122 1HZ LYS 122 20.828 -9.603 4.363 948 2HZ LYS 122 2HZ LYS 122 20.818 -11.290 4.556 949 H VAL 123 H VAL 123 27.958 -9.838 4.832 950 HA VAL 123 HA VAL 123 28.080 -11.223 2.192 951 HB VAL 123 HB VAL 123 29.900 -9.711 2.737 952 1HG1 VAL 123 1HG1 VAL 123 31.320 -10.355 4.810 953 2HG1 VAL 123 2HG1 VAL 123 29.887 -11.236 5.339 954 3HG1 VAL 123 3HG1 VAL 123 29.808 -9.492 5.086 955 1HG2 VAL 123 1HG2 VAL 123 31.296 -12.224 3.420 956 2HG2 VAL 123 2HG2 VAL 123 31.541 -11.138 2.052 957 3HG2 VAL 123 3HG2 VAL 123 30.245 -12.333 2.008 958 H ASP 124 H ASP 124 27.190 -13.269 2.391 959 HA ASP 124 HA ASP 124 27.170 -14.820 4.818 960 1HB ASP 124 2HB ASP 124 26.286 -16.546 3.337 961 2HB ASP 124 1HB ASP 124 25.609 -14.988 2.857 Start of MODEL 17 1 H SER 2 H SER 2 1.525 -6.598 12.024 2 HA SER 2 HA SER 2 1.705 -5.737 9.829 3 1HB SER 2 2HB SER 2 1.295 -8.670 9.618 4 2HB SER 2 1HB SER 2 1.022 -7.751 8.141 5 HG SER 2 HG SER 2 3.253 -6.986 9.541 6 H ASN 3 H ASN 3 -0.717 -5.186 11.189 7 HA ASN 3 HA ASN 3 -2.905 -5.705 9.246 8 1HB ASN 3 2HB ASN 3 -3.188 -4.072 11.740 9 2HB ASN 3 1HB ASN 3 -4.297 -5.260 11.052 10 1HD2 ASN 3 1HD2 ASN 3 -2.628 -7.500 10.763 11 2HD2 ASN 3 2HD2 ASN 3 -2.075 -7.998 12.289 12 H GLN 4 H GLN 4 -0.476 -3.649 9.131 13 HA GLN 4 HA GLN 4 -1.729 -1.036 9.057 14 1HB GLN 4 2HB GLN 4 0.830 -2.172 7.882 15 2HB GLN 4 1HB GLN 4 0.449 -0.452 7.958 16 1HG GLN 4 2HG GLN 4 0.890 -0.324 10.184 17 2HG GLN 4 1HG GLN 4 0.127 -1.879 10.518 18 1HE2 GLN 4 1HE2 GLN 4 3.179 -0.314 9.695 19 2HE2 GLN 4 2HE2 GLN 4 4.147 -1.697 9.873 20 H ILE 5 H ILE 5 -1.315 0.192 6.772 21 HA ILE 5 HA ILE 5 -2.833 -1.398 4.740 22 HB ILE 5 HB ILE 5 -2.945 1.291 5.848 23 1HG1 ILE 5 2HG1 ILE 5 -5.203 1.195 4.965 24 2HG1 ILE 5 1HG1 ILE 5 -4.769 -0.132 3.886 25 1HG2 ILE 5 1HG2 ILE 5 -3.642 1.923 3.242 26 2HG2 ILE 5 2HG2 ILE 5 -2.150 1.005 3.041 27 3HG2 ILE 5 3HG2 ILE 5 -2.170 2.444 4.060 28 1HD1 ILE 5 1HD1 ILE 5 -4.025 -1.279 6.169 29 2HD1 ILE 5 2HD1 ILE 5 -5.702 -1.337 5.628 30 3HD1 ILE 5 3HD1 ILE 5 -5.209 -0.160 6.845 31 H TYR 6 H TYR 6 -0.911 -2.374 3.790 32 HA TYR 6 HA TYR 6 1.404 -0.932 2.939 33 1HB TYR 6 2HB TYR 6 0.051 -3.441 1.892 34 2HB TYR 6 1HB TYR 6 1.703 -2.958 1.503 35 HD1 TYR 6 1HD TYR 6 2.374 -1.758 4.239 36 HD2 TYR 6 2HD TYR 6 0.555 -5.475 3.084 37 HE1 TYR 6 1HE TYR 6 3.178 -2.805 6.339 38 HE2 TYR 6 2HE TYR 6 1.360 -6.521 5.184 39 HH TYR 6 HH TYR 6 2.303 -4.903 7.798 40 H SER 7 H SER 7 1.971 -0.591 0.576 41 HA SER 7 HA SER 7 -0.401 0.472 -0.925 42 1HB SER 7 2HB SER 7 0.868 2.340 -1.373 43 2HB SER 7 1HB SER 7 1.702 1.839 0.095 44 HG SER 7 HG SER 7 3.004 2.237 -1.884 45 H ALA 8 H ALA 8 -0.510 -0.022 -3.169 46 HA ALA 8 HA ALA 8 1.651 -1.754 -4.291 47 1HB ALA 8 1HB ALA 8 -1.286 -2.346 -3.927 48 2HB ALA 8 2HB ALA 8 0.098 -3.336 -3.462 49 3HB ALA 8 3HB ALA 8 -0.340 -3.175 -5.163 50 H ARG 9 H ARG 9 1.842 -1.595 -6.561 51 HA ARG 9 HA ARG 9 -0.138 0.028 -8.065 52 1HB ARG 9 2HB ARG 9 1.145 1.882 -7.926 53 2HB ARG 9 1HB ARG 9 2.334 1.002 -6.965 54 1HG ARG 9 2HG ARG 9 3.689 1.426 -8.756 55 2HG ARG 9 1HG ARG 9 2.887 0.005 -9.426 56 1HD ARG 9 2HD ARG 9 2.177 1.322 -11.131 57 2HD ARG 9 1HD ARG 9 1.155 2.178 -9.959 58 HE ARG 9 HE ARG 9 2.706 3.948 -10.055 59 1HH1 ARG 9 1HH1 ARG 9 4.163 0.935 -10.886 60 1HH2 ARG 9 1HH2 ARG 9 4.727 4.868 -10.482 61 2HH2 ARG 9 2HH2 ARG 9 6.036 3.852 -10.988 62 H TYR 10 H TYR 10 -0.486 -1.182 -9.887 63 HA TYR 10 HA TYR 10 1.868 -2.337 -11.311 64 1HB TYR 10 2HB TYR 10 0.199 -4.398 -11.546 65 2HB TYR 10 1HB TYR 10 1.233 -4.235 -10.127 66 HD1 TYR 10 1HD TYR 10 -0.302 -5.492 -8.679 67 HD2 TYR 10 2HD TYR 10 -1.568 -1.933 -10.724 68 HE1 TYR 10 1HE TYR 10 -2.308 -5.371 -7.226 69 HE2 TYR 10 2HE TYR 10 -3.574 -1.812 -9.272 70 HH TYR 10 HH TYR 10 -4.281 -2.611 -7.044 71 H SER 11 H SER 11 1.074 -3.223 -13.523 72 HA SER 11 HA SER 11 0.079 -2.703 -15.606 73 1HB SER 11 2HB SER 11 -1.969 -3.579 -15.193 74 2HB SER 11 1HB SER 11 -1.919 -3.035 -13.519 75 HG SER 11 HG SER 11 -2.940 -1.779 -15.802 76 H GLY 12 H GLY 12 1.382 -0.501 -14.056 77 1HA GLY 12 2HA GLY 12 1.730 1.789 -14.545 78 2HA GLY 12 1HA GLY 12 0.345 1.728 -15.638 79 H VAL 13 H VAL 13 -1.118 0.407 -13.217 80 HA VAL 13 HA VAL 13 -2.195 2.948 -12.184 81 HB VAL 13 HB VAL 13 -3.349 0.626 -10.987 82 1HG1 VAL 13 1HG1 VAL 13 -4.247 2.307 -13.347 83 2HG1 VAL 13 2HG1 VAL 13 -4.517 2.707 -11.651 84 3HG1 VAL 13 3HG1 VAL 13 -5.284 1.284 -12.354 85 1HG2 VAL 13 1HG2 VAL 13 -2.498 0.322 -13.864 86 2HG2 VAL 13 2HG2 VAL 13 -3.961 -0.465 -13.272 87 3HG2 VAL 13 3HG2 VAL 13 -2.398 -0.856 -12.555 88 H ASP 14 H ASP 14 -2.292 3.440 -9.918 89 HA ASP 14 HA ASP 14 -0.177 2.091 -8.276 90 1HB ASP 14 2HB ASP 14 0.409 4.350 -8.508 91 2HB ASP 14 1HB ASP 14 -1.273 4.883 -8.516 92 H VAL 15 H VAL 15 -1.015 0.803 -6.668 93 HA VAL 15 HA VAL 15 -3.642 1.603 -5.465 94 HB VAL 15 HB VAL 15 -4.480 -0.543 -5.808 95 1HG1 VAL 15 1HG1 VAL 15 -4.148 -1.063 -8.092 96 2HG1 VAL 15 2HG1 VAL 15 -2.469 -0.523 -8.059 97 3HG1 VAL 15 3HG1 VAL 15 -3.778 0.658 -7.989 98 1HG2 VAL 15 1HG2 VAL 15 -1.617 -1.514 -6.099 99 2HG2 VAL 15 2HG2 VAL 15 -3.059 -2.531 -6.118 100 3HG2 VAL 15 3HG2 VAL 15 -2.603 -1.675 -4.645 101 H TYR 16 H TYR 16 -3.982 0.459 -3.323 102 HA TYR 16 HA TYR 16 -1.386 0.257 -1.841 103 1HB TYR 16 2HB TYR 16 -4.202 0.935 -0.922 104 2HB TYR 16 1HB TYR 16 -2.759 0.968 0.092 105 HD1 TYR 16 1HD TYR 16 -3.095 2.051 -3.461 106 HD2 TYR 16 2HD TYR 16 -2.526 3.267 0.619 107 HE1 TYR 16 1HE TYR 16 -2.612 4.363 -4.218 108 HE2 TYR 16 2HE TYR 16 -2.044 5.579 -0.137 109 HH TYR 16 HH TYR 16 -1.557 6.857 -1.942 110 H GLU 17 H GLU 17 -1.173 -1.510 -0.332 111 HA GLU 17 HA GLU 17 -3.172 -3.711 -0.745 112 1HB GLU 17 2HB GLU 17 -1.203 -5.208 -0.449 113 2HB GLU 17 1HB GLU 17 -0.995 -4.102 -1.808 114 1HG GLU 17 2HG GLU 17 0.900 -3.341 -0.868 115 2HG GLU 17 1HG GLU 17 -0.041 -2.758 0.506 116 H PHE 18 H PHE 18 -4.357 -3.900 1.114 117 HA PHE 18 HA PHE 18 -2.879 -3.880 3.720 118 1HB PHE 18 2HB PHE 18 -5.486 -2.919 4.164 119 2HB PHE 18 1HB PHE 18 -4.003 -1.966 4.172 120 HD1 PHE 18 1HD PHE 18 -3.075 -1.578 1.608 121 HD2 PHE 18 2HD PHE 18 -7.171 -2.087 2.798 122 HE1 PHE 18 1HE PHE 18 -3.818 -0.400 -0.443 123 HE2 PHE 18 2HE PHE 18 -7.913 -0.908 0.747 124 HZ PHE 18 HZ PHE 18 -6.236 -0.064 -0.874 125 H ILE 19 H ILE 19 -3.550 -5.515 5.138 126 HA ILE 19 HA ILE 19 -5.227 -7.650 4.032 127 HB ILE 19 HB ILE 19 -3.426 -7.143 6.341 128 1HG1 ILE 19 2HG1 ILE 19 -2.472 -9.224 5.648 129 2HG1 ILE 19 1HG1 ILE 19 -3.926 -9.671 4.754 130 1HG2 ILE 19 1HG2 ILE 19 -5.599 -9.259 6.423 131 2HG2 ILE 19 2HG2 ILE 19 -5.496 -7.854 7.482 132 3HG2 ILE 19 3HG2 ILE 19 -4.266 -9.115 7.569 133 1HD1 ILE 19 1HD1 ILE 19 -2.022 -7.411 4.078 134 2HD1 ILE 19 2HD1 ILE 19 -3.537 -7.727 3.233 135 3HD1 ILE 19 3HD1 ILE 19 -2.232 -8.912 3.176 136 H HIS 20 H HIS 20 -7.375 -7.932 4.447 137 HA HIS 20 HA HIS 20 -8.591 -6.733 6.877 138 1HB HIS 20 2HB HIS 20 -9.162 -6.002 4.001 139 2HB HIS 20 1HB HIS 20 -10.374 -5.760 5.260 140 HD1 HIS 20 1HD HIS 20 -8.305 -3.674 3.581 141 HD2 HIS 20 2HD HIS 20 -8.475 -4.562 7.650 142 HE1 HIS 20 1HE HIS 20 -7.218 -1.729 4.784 143 H SER 21 H SER 21 -11.238 -7.121 5.342 144 HA SER 21 HA SER 21 -11.847 -9.764 6.263 145 1HB SER 21 2HB SER 21 -13.461 -8.706 4.044 146 2HB SER 21 1HB SER 21 -13.942 -9.075 5.698 147 HG SER 21 HG SER 21 -13.442 -6.708 4.609 148 H THR 22 H THR 22 -10.972 -8.487 3.058 149 HA THR 22 HA THR 22 -11.007 -11.231 1.908 150 HB THR 22 HB THR 22 -11.818 -8.815 0.967 151 HG1 THR 22 1HG THR 22 -12.312 -10.580 -0.178 152 1HG2 THR 22 1HG2 THR 22 -9.204 -8.311 1.030 153 2HG2 THR 22 2HG2 THR 22 -10.224 -7.693 -0.268 154 3HG2 THR 22 3HG2 THR 22 -9.251 -9.141 -0.525 155 H GLY 23 H GLY 23 -8.928 -9.709 3.803 156 1HA GLY 23 2HA GLY 23 -6.639 -10.369 4.142 157 2HA GLY 23 1HA GLY 23 -6.565 -10.885 2.454 158 H SER 24 H SER 24 -5.362 -9.555 1.191 159 HA SER 24 HA SER 24 -4.622 -6.872 2.115 160 1HB SER 24 2HB SER 24 -3.645 -8.907 0.385 161 2HB SER 24 1HB SER 24 -3.884 -7.470 -0.603 162 HG SER 24 HG SER 24 -2.831 -6.583 1.584 163 H ILE 25 H ILE 25 -5.477 -4.951 1.356 164 HA ILE 25 HA ILE 25 -7.640 -5.147 -0.715 165 HB ILE 25 HB ILE 25 -7.194 -3.157 1.537 166 1HG1 ILE 25 2HG1 ILE 25 -8.676 -5.741 1.317 167 2HG1 ILE 25 1HG1 ILE 25 -7.874 -5.023 2.714 168 1HG2 ILE 25 1HG2 ILE 25 -8.475 -2.448 -0.591 169 2HG2 ILE 25 2HG2 ILE 25 -9.290 -2.218 0.955 170 3HG2 ILE 25 3HG2 ILE 25 -9.714 -3.590 -0.071 171 1HD1 ILE 25 1HD1 ILE 25 -10.527 -4.177 1.518 172 2HD1 ILE 25 2HD1 ILE 25 -9.696 -3.302 2.804 173 3HD1 ILE 25 3HD1 ILE 25 -10.272 -4.945 3.085 174 H MET 26 H MET 26 -7.156 -4.124 -2.622 175 HA MET 26 HA MET 26 -5.054 -1.985 -2.568 176 1HB MET 26 2HB MET 26 -5.694 -4.247 -4.448 177 2HB MET 26 1HB MET 26 -4.799 -2.841 -5.025 178 1HG MET 26 2HG MET 26 -3.143 -3.171 -3.203 179 2HG MET 26 1HG MET 26 -4.018 -4.615 -2.693 180 1HE MET 26 1HE MET 26 -1.703 -5.316 -2.708 181 2HE MET 26 2HE MET 26 -0.654 -4.612 -3.937 182 3HE MET 26 3HE MET 26 -1.054 -6.326 -4.007 183 H LYS 27 H LYS 27 -5.787 -0.013 -3.171 184 HA LYS 27 HA LYS 27 -8.397 0.174 -4.618 185 1HB LYS 27 2HB LYS 27 -8.753 1.961 -3.260 186 2HB LYS 27 1HB LYS 27 -7.362 1.379 -2.345 187 1HG LYS 27 2HG LYS 27 -6.750 3.001 -4.756 188 2HG LYS 27 1HG LYS 27 -7.485 3.865 -3.406 189 1HD LYS 27 2HD LYS 27 -5.188 1.992 -2.905 190 2HD LYS 27 1HD LYS 27 -4.876 3.624 -3.494 191 1HE LYS 27 2HE LYS 27 -4.856 4.024 -1.200 192 2HE LYS 27 1HE LYS 27 -6.588 4.246 -1.518 193 1HZ LYS 27 1HZ LYS 27 -5.766 2.527 0.270 194 2HZ LYS 27 2HZ LYS 27 -7.106 2.187 -0.717 195 H ARG 28 H ARG 28 -8.527 1.945 -6.285 196 HA ARG 28 HA ARG 28 -6.216 1.819 -8.096 197 1HB ARG 28 2HB ARG 28 -8.455 1.591 -8.976 198 2HB ARG 28 1HB ARG 28 -8.969 3.084 -8.192 199 1HG ARG 28 2HG ARG 28 -8.548 3.923 -10.295 200 2HG ARG 28 1HG ARG 28 -6.927 4.073 -9.616 201 1HD ARG 28 2HD ARG 28 -6.776 2.979 -11.806 202 2HD ARG 28 1HD ARG 28 -6.399 1.785 -10.547 203 HE ARG 28 HE ARG 28 -9.130 1.558 -10.800 204 1HH1 ARG 28 1HH1 ARG 28 -6.474 1.562 -12.998 205 1HH2 ARG 28 1HH2 ARG 28 -10.153 0.189 -12.278 206 2HH2 ARG 28 2HH2 ARG 28 -9.329 -0.264 -13.732 207 H LYS 29 H LYS 29 -4.705 3.434 -8.337 208 HA LYS 29 HA LYS 29 -4.548 5.637 -6.502 209 1HB LYS 29 2HB LYS 29 -2.533 4.815 -7.390 210 2HB LYS 29 1HB LYS 29 -3.168 4.776 -9.035 211 1HG LYS 29 2HG LYS 29 -1.592 6.793 -7.961 212 2HG LYS 29 1HG LYS 29 -2.570 6.923 -9.422 213 1HD LYS 29 2HD LYS 29 -3.946 8.396 -8.424 214 2HD LYS 29 1HD LYS 29 -4.252 7.264 -7.106 215 1HE LYS 29 2HE LYS 29 -3.265 9.329 -6.202 216 2HE LYS 29 1HE LYS 29 -2.093 8.006 -6.044 217 1HZ LYS 29 1HZ LYS 29 -1.972 10.350 -7.697 218 2HZ LYS 29 2HZ LYS 29 -0.729 9.289 -7.237 219 H LYS 30 H LYS 30 -5.467 5.467 -9.955 220 HA LYS 30 HA LYS 30 -5.801 8.176 -10.553 221 1HB LYS 30 2HB LYS 30 -7.613 5.849 -11.278 222 2HB LYS 30 1HB LYS 30 -7.451 7.352 -12.187 223 1HG LYS 30 2HG LYS 30 -4.826 6.496 -11.919 224 2HG LYS 30 1HG LYS 30 -5.715 4.993 -12.174 225 1HD LYS 30 2HD LYS 30 -6.443 7.295 -13.918 226 2HD LYS 30 1HD LYS 30 -4.883 6.529 -14.219 227 1HE LYS 30 2HE LYS 30 -7.591 5.150 -14.174 228 2HE LYS 30 1HE LYS 30 -6.534 5.378 -15.582 229 1HZ LYS 30 1HZ LYS 30 -4.847 4.301 -13.806 230 2HZ LYS 30 2HZ LYS 30 -5.701 3.397 -14.963 231 H ASP 31 H ASP 31 -8.434 6.041 -9.377 232 HA ASP 31 HA ASP 31 -9.726 8.473 -8.182 233 1HB ASP 31 2HB ASP 31 -10.612 6.575 -10.064 234 2HB ASP 31 1HB ASP 31 -11.446 6.162 -8.565 235 H ASP 32 H ASP 32 -7.826 6.068 -7.212 236 HA ASP 32 HA ASP 32 -7.580 4.832 -5.211 237 1HB ASP 32 2HB ASP 32 -9.432 7.053 -4.285 238 2HB ASP 32 1HB ASP 32 -8.357 6.105 -3.257 239 H TRP 33 H TRP 33 -9.351 3.498 -6.761 240 HA TRP 33 HA TRP 33 -11.990 3.211 -5.565 241 1HB TRP 33 2HB TRP 33 -10.682 1.122 -7.273 242 2HB TRP 33 1HB TRP 33 -12.325 1.758 -7.352 243 HD1 TRP 33 HD TRP 33 -10.292 4.697 -7.078 244 HE1 TRP 33 1HE TRP 33 -9.764 5.734 -9.378 245 HE3 TRP 33 3HE TRP 33 -11.568 0.797 -10.118 246 HZ2 TRP 33 2HZ TRP 33 -9.869 5.006 -12.142 247 HZ3 TRP 33 3HZ TRP 33 -11.345 0.997 -12.578 248 HH2 TRP 33 HH TRP 33 -10.498 3.094 -13.594 249 H VAL 34 H VAL 34 -12.734 1.208 -4.498 250 HA VAL 34 HA VAL 34 -10.538 -0.291 -3.107 251 HB VAL 34 HB VAL 34 -13.068 0.046 -1.652 252 1HG1 VAL 34 1HG1 VAL 34 -10.831 1.213 -0.338 253 2HG1 VAL 34 2HG1 VAL 34 -10.248 -0.228 -1.173 254 3HG1 VAL 34 3HG1 VAL 34 -11.574 -0.354 -0.017 255 1HG2 VAL 34 1HG2 VAL 34 -12.872 2.206 -2.995 256 2HG2 VAL 34 2HG2 VAL 34 -11.376 2.515 -2.116 257 3HG2 VAL 34 3HG2 VAL 34 -12.905 2.405 -1.244 258 H ASN 35 H ASN 35 -10.957 -2.521 -2.802 259 HA ASN 35 HA ASN 35 -12.687 -3.842 -4.657 260 1HB ASN 35 2HB ASN 35 -11.884 -5.211 -2.141 261 2HB ASN 35 1HB ASN 35 -11.635 -5.705 -3.816 262 1HD2 ASN 35 1HD2 ASN 35 -9.600 -5.571 -1.614 263 2HD2 ASN 35 2HD2 ASN 35 -8.393 -4.518 -2.174 264 H ALA 36 H ALA 36 -14.881 -3.247 -4.443 265 HA ALA 36 HA ALA 36 -16.465 -2.670 -2.293 266 1HB ALA 36 1HB ALA 36 -16.914 -3.242 -4.853 267 2HB ALA 36 2HB ALA 36 -18.226 -3.299 -3.676 268 3HB ALA 36 3HB ALA 36 -17.430 -4.789 -4.181 269 H THR 37 H THR 37 -14.974 -5.792 -2.925 270 HA THR 37 HA THR 37 -16.578 -7.452 -1.252 271 HB THR 37 HB THR 37 -13.603 -7.498 -1.867 272 HG1 THR 37 1HG THR 37 -15.061 -9.298 -3.171 273 1HG2 THR 37 1HG2 THR 37 -15.452 -9.715 -0.942 274 2HG2 THR 37 2HG2 THR 37 -14.230 -8.929 0.058 275 3HG2 THR 37 3HG2 THR 37 -13.742 -9.889 -1.339 276 H HIS 38 H HIS 38 -13.664 -5.523 -0.499 277 HA HIS 38 HA HIS 38 -13.555 -6.213 2.295 278 1HB HIS 38 2HB HIS 38 -11.652 -5.267 1.139 279 2HB HIS 38 1HB HIS 38 -12.587 -3.854 0.649 280 HD1 HIS 38 1HD HIS 38 -11.036 -2.199 1.915 281 HD2 HIS 38 2HD HIS 38 -12.785 -5.072 4.379 282 HE1 HIS 38 1HE HIS 38 -10.636 -1.438 4.297 283 H ILE 39 H ILE 39 -15.372 -3.877 0.426 284 HA ILE 39 HA ILE 39 -16.379 -2.463 2.823 285 HB ILE 39 HB ILE 39 -16.429 -2.201 -0.153 286 1HG1 ILE 39 2HG1 ILE 39 -16.353 0.290 1.138 287 2HG1 ILE 39 1HG1 ILE 39 -15.422 -0.789 2.178 288 1HG2 ILE 39 1HG2 ILE 39 -18.318 -0.505 1.436 289 2HG2 ILE 39 2HG2 ILE 39 -18.847 -2.107 0.924 290 3HG2 ILE 39 3HG2 ILE 39 -18.356 -0.915 -0.278 291 1HD1 ILE 39 1HD1 ILE 39 -14.761 -1.348 -0.559 292 2HD1 ILE 39 2HD1 ILE 39 -13.708 -0.753 0.725 293 3HD1 ILE 39 3HD1 ILE 39 -14.606 0.387 -0.278 294 H LEU 40 H LEU 40 -17.775 -4.267 0.062 295 HA LEU 40 HA LEU 40 -20.307 -4.660 1.545 296 1HB LEU 40 2HB LEU 40 -19.261 -5.132 -1.243 297 2HB LEU 40 1HB LEU 40 -20.787 -5.855 -0.732 298 HG LEU 40 HG LEU 40 -20.383 -3.225 -1.663 299 1HD1 LEU 40 1HD1 LEU 40 -22.737 -3.100 -1.512 300 2HD1 LEU 40 2HD1 LEU 40 -22.788 -4.145 -0.092 301 3HD1 LEU 40 3HD1 LEU 40 -22.418 -4.827 -1.675 302 1HD2 LEU 40 1HD2 LEU 40 -21.605 -2.568 0.837 303 2HD2 LEU 40 2HD2 LEU 40 -20.120 -1.911 0.149 304 3HD2 LEU 40 3HD2 LEU 40 -20.057 -3.341 1.180 305 H LYS 41 H LYS 41 -17.822 -6.709 -0.039 306 HA LYS 41 HA LYS 41 -18.871 -9.209 0.933 307 1HB LYS 41 2HB LYS 41 -17.430 -9.242 -0.947 308 2HB LYS 41 1HB LYS 41 -16.237 -8.209 -0.156 309 1HG LYS 41 2HG LYS 41 -15.188 -9.989 0.742 310 2HG LYS 41 1HG LYS 41 -16.703 -10.621 1.390 311 1HD LYS 41 2HD LYS 41 -15.278 -11.861 -0.568 312 2HD LYS 41 1HD LYS 41 -17.022 -12.032 -0.376 313 1HE LYS 41 2HE LYS 41 -16.469 -9.614 -1.854 314 2HE LYS 41 1HE LYS 41 -15.660 -10.990 -2.630 315 1HZ LYS 41 1HZ LYS 41 -18.287 -11.583 -1.599 316 2HZ LYS 41 2HZ LYS 41 -18.294 -10.442 -2.857 317 H ALA 42 H ALA 42 -16.822 -6.755 2.330 318 HA ALA 42 HA ALA 42 -15.639 -8.385 4.416 319 1HB ALA 42 1HB ALA 42 -16.173 -5.399 4.335 320 2HB ALA 42 2HB ALA 42 -14.822 -6.173 3.509 321 3HB ALA 42 3HB ALA 42 -14.925 -6.224 5.269 322 H ALA 43 H ALA 43 -18.712 -6.799 3.982 323 HA ALA 43 HA ALA 43 -19.418 -7.417 6.835 324 1HB ALA 43 1HB ALA 43 -21.243 -5.561 5.820 325 2HB ALA 43 2HB ALA 43 -19.703 -5.076 5.112 326 3HB ALA 43 3HB ALA 43 -19.868 -5.197 6.864 327 H ASN 44 H ASN 44 -19.776 -8.716 3.874 328 HA ASN 44 HA ASN 44 -22.531 -9.701 4.505 329 1HB ASN 44 2HB ASN 44 -23.354 -8.952 2.503 330 2HB ASN 44 1HB ASN 44 -22.021 -7.801 2.620 331 1HD2 ASN 44 1HD2 ASN 44 -20.361 -7.949 1.054 332 2HD2 ASN 44 2HD2 ASN 44 -20.278 -9.169 -0.123 333 H PHE 45 H PHE 45 -19.563 -10.154 2.571 334 HA PHE 45 HA PHE 45 -18.396 -12.317 2.545 335 1HB PHE 45 2HB PHE 45 -21.138 -13.562 2.742 336 2HB PHE 45 1HB PHE 45 -19.584 -14.246 3.220 337 HD1 PHE 45 1HD PHE 45 -22.411 -13.498 4.727 338 HD2 PHE 45 2HD PHE 45 -18.378 -12.021 4.738 339 HE1 PHE 45 1HE PHE 45 -22.735 -12.631 7.028 340 HE2 PHE 45 2HE PHE 45 -18.701 -11.153 7.038 341 HZ PHE 45 HZ PHE 45 -20.880 -11.459 8.183 342 H ALA 46 H ALA 46 -18.061 -13.604 0.638 343 HA ALA 46 HA ALA 46 -19.530 -12.635 -1.733 344 1HB ALA 46 1HB ALA 46 -17.205 -12.722 -2.039 345 2HB ALA 46 2HB ALA 46 -17.719 -14.243 -2.769 346 3HB ALA 46 3HB ALA 46 -17.048 -14.231 -1.138 347 H LYS 47 H LYS 47 -21.549 -13.640 -1.582 348 HA LYS 47 HA LYS 47 -21.586 -16.530 -2.289 349 1HB LYS 47 2HB LYS 47 -21.898 -15.846 0.278 350 2HB LYS 47 1HB LYS 47 -23.539 -15.490 -0.262 351 1HG LYS 47 2HG LYS 47 -23.688 -17.783 -1.221 352 2HG LYS 47 1HG LYS 47 -22.086 -18.133 -0.573 353 1HD LYS 47 2HD LYS 47 -23.592 -18.978 1.057 354 2HD LYS 47 1HD LYS 47 -23.040 -17.434 1.711 355 1HE LYS 47 2HE LYS 47 -25.123 -16.520 1.585 356 2HE LYS 47 1HE LYS 47 -25.410 -17.199 -0.030 357 1HZ LYS 47 1HZ LYS 47 -25.176 -19.277 1.868 358 2HZ LYS 47 2HZ LYS 47 -26.492 -18.903 0.862 359 H ALA 48 H ALA 48 -24.363 -16.833 -2.415 360 HA ALA 48 HA ALA 48 -25.105 -15.538 -4.809 361 1HB ALA 48 1HB ALA 48 -26.238 -17.488 -3.722 362 2HB ALA 48 2HB ALA 48 -27.387 -16.223 -4.162 363 3HB ALA 48 3HB ALA 48 -26.870 -16.401 -2.485 364 H LYS 49 H LYS 49 -25.151 -14.439 -1.496 365 HA LYS 49 HA LYS 49 -26.845 -12.124 -1.847 366 1HB LYS 49 2HB LYS 49 -25.141 -13.396 0.153 367 2HB LYS 49 1HB LYS 49 -24.998 -11.640 0.204 368 1HG LYS 49 2HG LYS 49 -27.693 -11.904 -0.058 369 2HG LYS 49 1HG LYS 49 -27.315 -13.362 0.858 370 1HD LYS 49 2HD LYS 49 -26.050 -10.802 1.736 371 2HD LYS 49 1HD LYS 49 -27.763 -11.036 2.084 372 1HE LYS 49 2HE LYS 49 -27.230 -13.210 3.177 373 2HE LYS 49 1HE LYS 49 -25.505 -12.908 2.886 374 1HZ LYS 49 1HZ LYS 49 -26.462 -12.124 5.102 375 2HZ LYS 49 2HZ LYS 49 -25.535 -11.009 4.218 376 H ARG 50 H ARG 50 -23.276 -12.551 -1.747 377 HA ARG 50 HA ARG 50 -22.589 -9.847 -2.326 378 1HB ARG 50 2HB ARG 50 -21.200 -11.875 -1.511 379 2HB ARG 50 1HB ARG 50 -21.051 -12.291 -3.219 380 1HG ARG 50 2HG ARG 50 -20.480 -9.464 -2.504 381 2HG ARG 50 1HG ARG 50 -19.305 -10.660 -1.956 382 1HD ARG 50 2HD ARG 50 -20.202 -10.119 -4.803 383 2HD ARG 50 1HD ARG 50 -18.558 -10.031 -4.140 384 HE ARG 50 HE ARG 50 -18.527 -12.455 -3.990 385 1HH1 ARG 50 1HH1 ARG 50 -21.389 -11.071 -5.324 386 1HH2 ARG 50 1HH2 ARG 50 -19.236 -14.405 -4.887 387 2HH2 ARG 50 2HH2 ARG 50 -20.726 -14.445 -5.770 388 H THR 51 H THR 51 -23.681 -12.473 -4.397 389 HA THR 51 HA THR 51 -22.757 -11.371 -6.905 390 HB THR 51 HB THR 51 -25.159 -13.140 -6.357 391 HG1 THR 51 1HG THR 51 -22.444 -13.565 -6.062 392 1HG2 THR 51 1HG2 THR 51 -23.234 -12.920 -8.687 393 2HG2 THR 51 2HG2 THR 51 -24.916 -12.387 -8.674 394 3HG2 THR 51 3HG2 THR 51 -24.534 -14.105 -8.555 395 H ARG 52 H ARG 52 -25.685 -11.020 -4.945 396 HA ARG 52 HA ARG 52 -26.917 -9.214 -6.958 397 1HB ARG 52 2HB ARG 52 -28.234 -10.947 -5.763 398 2HB ARG 52 1HB ARG 52 -27.808 -10.200 -4.224 399 1HG ARG 52 2HG ARG 52 -28.868 -8.210 -6.034 400 2HG ARG 52 1HG ARG 52 -30.001 -9.552 -5.871 401 1HD ARG 52 2HD ARG 52 -28.736 -8.062 -3.540 402 2HD ARG 52 1HD ARG 52 -30.400 -7.839 -4.116 403 HE ARG 52 HE ARG 52 -29.645 -10.625 -3.528 404 1HH1 ARG 52 1HH1 ARG 52 -31.058 -7.657 -2.485 405 1HH2 ARG 52 1HH2 ARG 52 -30.871 -11.602 -1.900 406 2HH2 ARG 52 2HH2 ARG 52 -31.898 -10.626 -0.903 407 H ILE 53 H ILE 53 -26.465 -9.020 -3.419 408 HA ILE 53 HA ILE 53 -26.662 -6.271 -3.055 409 HB ILE 53 HB ILE 53 -25.619 -6.692 -0.996 410 1HG1 ILE 53 2HG1 ILE 53 -23.978 -8.870 -2.329 411 2HG1 ILE 53 1HG1 ILE 53 -23.405 -7.223 -2.061 412 1HG2 ILE 53 1HG2 ILE 53 -26.287 -9.468 -2.022 413 2HG2 ILE 53 2HG2 ILE 53 -27.474 -8.304 -1.433 414 3HG2 ILE 53 3HG2 ILE 53 -26.259 -8.955 -0.334 415 1HD1 ILE 53 1HD1 ILE 53 -22.814 -7.776 0.037 416 2HD1 ILE 53 2HD1 ILE 53 -23.413 -9.415 -0.220 417 3HD1 ILE 53 3HD1 ILE 53 -24.496 -8.168 0.400 418 H LEU 54 H LEU 54 -23.672 -8.072 -3.909 419 HA LEU 54 HA LEU 54 -22.017 -5.713 -4.146 420 1HB LEU 54 2HB LEU 54 -21.768 -8.507 -4.219 421 2HB LEU 54 1HB LEU 54 -21.270 -7.978 -5.827 422 HG LEU 54 HG LEU 54 -20.179 -6.960 -3.187 423 1HD1 LEU 54 1HD1 LEU 54 -19.285 -8.939 -5.228 424 2HD1 LEU 54 2HD1 LEU 54 -19.009 -8.917 -3.486 425 3HD1 LEU 54 3HD1 LEU 54 -18.050 -7.882 -4.545 426 1HD2 LEU 54 1HD2 LEU 54 -20.347 -5.193 -4.934 427 2HD2 LEU 54 2HD2 LEU 54 -19.429 -6.220 -6.035 428 3HD2 LEU 54 3HD2 LEU 54 -18.670 -5.603 -4.567 429 H GLU 55 H GLU 55 -23.383 -7.859 -6.649 430 HA GLU 55 HA GLU 55 -22.777 -6.333 -8.932 431 1HB GLU 55 2HB GLU 55 -24.097 -7.905 -9.946 432 2HB GLU 55 1HB GLU 55 -24.097 -8.647 -8.348 433 1HG GLU 55 2HG GLU 55 -26.370 -8.515 -8.629 434 2HG GLU 55 1HG GLU 55 -26.108 -6.887 -8.002 435 H LYS 56 H LYS 56 -25.727 -6.147 -6.897 436 HA LYS 56 HA LYS 56 -26.829 -3.900 -8.387 437 1HB LYS 56 2HB LYS 56 -28.386 -5.259 -7.257 438 2HB LYS 56 1HB LYS 56 -27.388 -5.355 -5.806 439 1HG LYS 56 2HG LYS 56 -28.344 -2.653 -6.639 440 2HG LYS 56 1HG LYS 56 -29.529 -3.753 -5.931 441 1HD LYS 56 2HD LYS 56 -27.216 -3.980 -4.330 442 2HD LYS 56 1HD LYS 56 -27.439 -2.253 -4.614 443 1HE LYS 56 2HE LYS 56 -28.724 -2.859 -2.635 444 2HE LYS 56 1HE LYS 56 -29.877 -2.561 -3.952 445 1HZ LYS 56 1HZ LYS 56 -28.726 -5.247 -3.561 446 2HZ LYS 56 2HZ LYS 56 -30.057 -4.754 -2.628 447 H GLU 57 H GLU 57 -24.800 -4.296 -5.527 448 HA GLU 57 HA GLU 57 -24.935 -1.458 -4.782 449 1HB GLU 57 2HB GLU 57 -23.447 -3.931 -3.904 450 2HB GLU 57 1HB GLU 57 -22.985 -2.347 -3.279 451 1HG GLU 57 2HG GLU 57 -25.867 -3.209 -3.225 452 2HG GLU 57 1HG GLU 57 -24.757 -3.746 -1.964 453 H VAL 58 H VAL 58 -22.397 -3.647 -6.059 454 HA VAL 58 HA VAL 58 -20.660 -1.365 -6.721 455 HB VAL 58 HB VAL 58 -20.233 -3.908 -5.926 456 1HG1 VAL 58 1HG1 VAL 58 -20.955 -4.155 -8.667 457 2HG1 VAL 58 2HG1 VAL 58 -20.354 -5.416 -7.591 458 3HG1 VAL 58 3HG1 VAL 58 -19.224 -4.468 -8.555 459 1HG2 VAL 58 1HG2 VAL 58 -17.950 -3.500 -7.354 460 2HG2 VAL 58 2HG2 VAL 58 -18.311 -2.675 -5.837 461 3HG2 VAL 58 3HG2 VAL 58 -18.636 -1.875 -7.374 462 H LEU 59 H LEU 59 -22.367 -3.947 -8.549 463 HA LEU 59 HA LEU 59 -21.684 -3.357 -11.160 464 1HB LEU 59 2HB LEU 59 -23.435 -4.985 -10.095 465 2HB LEU 59 1HB LEU 59 -24.579 -3.673 -10.385 466 HG LEU 59 HG LEU 59 -24.549 -5.222 -12.297 467 1HD1 LEU 59 1HD1 LEU 59 -24.916 -2.794 -12.682 468 2HD1 LEU 59 2HD1 LEU 59 -24.120 -3.563 -14.056 469 3HD1 LEU 59 3HD1 LEU 59 -23.182 -2.587 -12.926 470 1HD2 LEU 59 1HD2 LEU 59 -21.797 -4.411 -13.074 471 2HD2 LEU 59 2HD2 LEU 59 -22.625 -5.950 -13.312 472 3HD2 LEU 59 3HD2 LEU 59 -21.916 -5.563 -11.744 473 H LYS 60 H LYS 60 -24.150 -1.619 -9.228 474 HA LYS 60 HA LYS 60 -24.718 0.344 -11.289 475 1HB LYS 60 2HB LYS 60 -25.323 -0.176 -8.421 476 2HB LYS 60 1HB LYS 60 -25.464 1.502 -8.945 477 1HG LYS 60 2HG LYS 60 -26.801 0.491 -10.957 478 2HG LYS 60 1HG LYS 60 -26.991 -0.907 -9.897 479 1HD LYS 60 2HD LYS 60 -28.135 0.361 -8.248 480 2HD LYS 60 1HD LYS 60 -27.632 1.892 -8.963 481 1HE LYS 60 2HE LYS 60 -29.892 1.644 -9.667 482 2HE LYS 60 1HE LYS 60 -28.952 1.088 -11.067 483 1HZ LYS 60 1HZ LYS 60 -30.808 -0.394 -9.747 484 2HZ LYS 60 2HZ LYS 60 -29.591 -1.017 -10.754 485 H GLU 61 H GLU 61 -22.068 -0.252 -9.360 486 HA GLU 61 HA GLU 61 -21.166 2.610 -9.380 487 1HB GLU 61 2HB GLU 61 -19.763 0.481 -7.828 488 2HB GLU 61 1HB GLU 61 -20.113 2.150 -7.375 489 1HG GLU 61 2HG GLU 61 -22.613 1.331 -7.398 490 2HG GLU 61 1HG GLU 61 -21.889 -0.266 -7.213 491 H THR 62 H THR 62 -18.397 1.975 -9.057 492 HA THR 62 HA THR 62 -17.764 1.094 -11.824 493 HB THR 62 HB THR 62 -15.926 2.248 -9.714 494 HG1 THR 62 1HG THR 62 -17.292 3.784 -11.629 495 1HG2 THR 62 1HG2 THR 62 -14.466 2.630 -11.437 496 2HG2 THR 62 2HG2 THR 62 -15.756 2.912 -12.605 497 3HG2 THR 62 3HG2 THR 62 -15.325 1.264 -12.148 498 H HIS 63 H HIS 63 -18.542 -1.033 -10.143 499 HA HIS 63 HA HIS 63 -16.424 -2.322 -8.722 500 1HB HIS 63 2HB HIS 63 -17.875 -4.324 -9.064 501 2HB HIS 63 1HB HIS 63 -18.803 -2.911 -8.561 502 HD1 HIS 63 1HD HIS 63 -18.533 -5.395 -11.242 503 HD2 HIS 63 2HD HIS 63 -20.144 -1.571 -10.837 504 HE1 HIS 63 1HE HIS 63 -20.098 -5.065 -13.206 505 H GLU 64 H GLU 64 -14.592 -3.296 -9.503 506 HA GLU 64 HA GLU 64 -14.577 -4.204 -12.362 507 1HB GLU 64 2HB GLU 64 -12.831 -2.322 -10.838 508 2HB GLU 64 1HB GLU 64 -12.045 -3.374 -12.015 509 1HG GLU 64 2HG GLU 64 -14.470 -2.278 -13.140 510 2HG GLU 64 1HG GLU 64 -13.438 -0.977 -12.543 511 H LYS 65 H LYS 65 -13.452 -6.139 -12.717 512 HA LYS 65 HA LYS 65 -12.562 -7.602 -10.271 513 1HB LYS 65 2HB LYS 65 -12.951 -8.717 -13.050 514 2HB LYS 65 1HB LYS 65 -13.111 -9.549 -11.503 515 1HG LYS 65 2HG LYS 65 -15.281 -8.966 -11.325 516 2HG LYS 65 1HG LYS 65 -14.915 -7.275 -11.665 517 1HD LYS 65 2HD LYS 65 -16.436 -8.444 -13.353 518 2HD LYS 65 1HD LYS 65 -15.027 -7.622 -14.024 519 1HE LYS 65 2HE LYS 65 -13.795 -9.782 -14.063 520 2HE LYS 65 1HE LYS 65 -15.245 -10.599 -13.446 521 1HZ LYS 65 1HZ LYS 65 -14.688 -9.793 -16.091 522 2HZ LYS 65 2HZ LYS 65 -16.041 -10.638 -15.504 523 H VAL 66 H VAL 66 -10.372 -7.285 -9.940 524 HA VAL 66 HA VAL 66 -8.558 -6.976 -12.264 525 HB VAL 66 HB VAL 66 -7.017 -6.830 -10.025 526 1HG1 VAL 66 1HG1 VAL 66 -7.912 -4.314 -10.055 527 2HG1 VAL 66 2HG1 VAL 66 -8.693 -4.870 -11.535 528 3HG1 VAL 66 3HG1 VAL 66 -6.938 -4.958 -11.378 529 1HG2 VAL 66 1HG2 VAL 66 -8.318 -5.816 -8.230 530 2HG2 VAL 66 2HG2 VAL 66 -9.011 -7.391 -8.613 531 3HG2 VAL 66 3HG2 VAL 66 -9.791 -5.919 -9.195 532 H GLN 67 H GLN 67 -7.490 -8.727 -13.071 533 HA GLN 67 HA GLN 67 -6.740 -10.948 -11.223 534 1HB GLN 67 2HB GLN 67 -7.772 -11.694 -13.907 535 2HB GLN 67 1HB GLN 67 -8.021 -12.485 -12.349 536 1HG GLN 67 2HG GLN 67 -9.305 -9.841 -13.072 537 2HG GLN 67 1HG GLN 67 -10.090 -11.396 -13.350 538 1HE2 GLN 67 1HE2 GLN 67 -11.621 -10.140 -11.673 539 2HE2 GLN 67 2HE2 GLN 67 -11.327 -10.495 -10.039 540 H GLY 68 H GLY 68 -5.348 -12.585 -12.680 541 1HA GLY 68 2HA GLY 68 -3.515 -12.916 -14.132 542 2HA GLY 68 1HA GLY 68 -3.883 -11.360 -14.880 543 H GLY 69 H GLY 69 -3.737 -10.995 -11.547 544 1HA GLY 69 2HA GLY 69 -1.801 -10.605 -10.118 545 2HA GLY 69 1HA GLY 69 -0.812 -10.431 -11.568 546 H PHE 70 H PHE 70 -3.365 -8.783 -12.520 547 HA PHE 70 HA PHE 70 -2.284 -6.198 -11.490 548 1HB PHE 70 2HB PHE 70 -3.839 -5.460 -13.503 549 2HB PHE 70 1HB PHE 70 -2.268 -6.194 -13.825 550 HD1 PHE 70 1HD PHE 70 -2.095 -8.559 -14.516 551 HD2 PHE 70 2HD PHE 70 -5.901 -6.655 -13.936 552 HE1 PHE 70 1HE PHE 70 -3.207 -10.411 -15.734 553 HE2 PHE 70 2HE PHE 70 -7.013 -8.507 -15.154 554 HZ PHE 70 HZ PHE 70 -5.666 -10.386 -16.053 555 H GLY 71 H GLY 71 -3.462 -6.293 -9.435 556 1HA GLY 71 2HA GLY 71 -5.290 -5.268 -8.266 557 2HA GLY 71 1HA GLY 71 -6.267 -5.394 -9.730 558 H LYS 72 H LYS 72 -4.477 -8.202 -8.806 559 HA LYS 72 HA LYS 72 -6.899 -9.776 -8.512 560 1HB LYS 72 2HB LYS 72 -5.344 -11.582 -8.276 561 2HB LYS 72 1HB LYS 72 -4.567 -10.441 -9.375 562 1HG LYS 72 2HG LYS 72 -2.947 -11.148 -7.698 563 2HG LYS 72 1HG LYS 72 -3.355 -9.454 -7.424 564 1HD LYS 72 2HD LYS 72 -3.809 -10.061 -5.292 565 2HD LYS 72 1HD LYS 72 -5.268 -10.812 -5.940 566 1HE LYS 72 2HE LYS 72 -2.791 -12.436 -6.182 567 2HE LYS 72 1HE LYS 72 -3.411 -12.207 -4.535 568 1HZ LYS 72 1HZ LYS 72 -5.250 -12.843 -6.751 569 2HZ LYS 72 2HZ LYS 72 -4.404 -14.088 -5.965 570 H TYR 73 H TYR 73 -5.274 -7.687 -6.446 571 HA TYR 73 HA TYR 73 -5.905 -9.172 -3.960 572 1HB TYR 73 2HB TYR 73 -4.200 -6.957 -4.861 573 2HB TYR 73 1HB TYR 73 -5.009 -6.617 -3.330 574 HD1 TYR 73 1HD TYR 73 -2.382 -6.694 -2.729 575 HD2 TYR 73 2HD TYR 73 -4.824 -10.096 -3.685 576 HE1 TYR 73 1HE TYR 73 -0.780 -8.175 -1.551 577 HE2 TYR 73 2HE TYR 73 -3.222 -11.577 -2.506 578 HH TYR 73 HH TYR 73 -0.954 -11.623 -1.783 579 H GLN 74 H GLN 74 -7.166 -6.659 -6.027 580 HA GLN 74 HA GLN 74 -9.059 -5.700 -3.949 581 1HB GLN 74 2HB GLN 74 -8.679 -4.914 -6.857 582 2HB GLN 74 1HB GLN 74 -9.561 -4.000 -5.631 583 1HG GLN 74 2HG GLN 74 -7.450 -2.943 -5.709 584 2HG GLN 74 1HG GLN 74 -7.335 -4.010 -4.310 585 1HE2 GLN 74 1HE2 GLN 74 -5.929 -5.873 -4.460 586 2HE2 GLN 74 2HE2 GLN 74 -4.861 -6.094 -5.760 587 H GLY 75 H GLY 75 -9.150 -7.200 -7.204 588 1HA GLY 75 2HA GLY 75 -10.760 -8.656 -8.122 589 2HA GLY 75 1HA GLY 75 -11.468 -8.796 -6.511 590 H THR 76 H THR 76 -12.701 -6.807 -5.774 591 HA THR 76 HA THR 76 -14.103 -5.499 -8.084 592 HB THR 76 HB THR 76 -15.399 -6.246 -5.461 593 HG1 THR 76 1HG THR 76 -15.374 -7.872 -7.772 594 1HG2 THR 76 1HG2 THR 76 -16.646 -6.220 -8.196 595 2HG2 THR 76 2HG2 THR 76 -16.399 -4.709 -7.319 596 3HG2 THR 76 3HG2 THR 76 -17.411 -5.976 -6.626 597 H TRP 77 H TRP 77 -12.223 -3.911 -7.347 598 HA TRP 77 HA TRP 77 -12.614 -2.463 -4.855 599 1HB TRP 77 2HB TRP 77 -10.982 -0.885 -6.159 600 2HB TRP 77 1HB TRP 77 -10.424 -2.496 -5.709 601 HD1 TRP 77 HD TRP 77 -12.843 -3.050 -8.319 602 HE1 TRP 77 1HE TRP 77 -11.725 -3.325 -10.625 603 HE3 TRP 77 3HE TRP 77 -8.182 -1.255 -7.259 604 HZ2 TRP 77 2HZ TRP 77 -9.188 -2.846 -11.858 605 HZ3 TRP 77 3HZ TRP 77 -6.435 -1.175 -9.016 606 HH2 TRP 77 HH TRP 77 -6.932 -1.967 -11.312 607 H VAL 78 H VAL 78 -13.177 -0.153 -4.769 608 HA VAL 78 HA VAL 78 -14.841 0.847 -7.037 609 HB VAL 78 HB VAL 78 -16.174 1.511 -4.638 610 1HG1 VAL 78 1HG1 VAL 78 -17.873 -0.128 -5.545 611 2HG1 VAL 78 2HG1 VAL 78 -16.688 -0.577 -6.772 612 3HG1 VAL 78 3HG1 VAL 78 -17.317 1.069 -6.716 613 1HG2 VAL 78 1HG2 VAL 78 -15.584 -1.457 -4.711 614 2HG2 VAL 78 2HG2 VAL 78 -16.443 -0.557 -3.461 615 3HG2 VAL 78 3HG2 VAL 78 -14.704 -0.342 -3.665 616 HA PRO 79 HA PRO 79 -13.194 4.820 -6.215 617 1HB PRO 79 2HB PRO 79 -15.506 6.323 -5.640 618 2HB PRO 79 1HB PRO 79 -14.819 6.046 -7.251 619 1HG PRO 79 2HG PRO 79 -17.108 4.732 -5.923 620 2HG PRO 79 1HG PRO 79 -16.813 5.030 -7.642 621 1HD PRO 79 2HD PRO 79 -16.574 2.581 -6.508 622 2HD PRO 79 1HD PRO 79 -15.603 3.098 -7.905 623 H LEU 80 H LEU 80 -12.070 4.869 -4.273 624 HA LEU 80 HA LEU 80 -12.967 4.216 -1.710 625 1HB LEU 80 2HB LEU 80 -10.669 4.526 -1.982 626 2HB LEU 80 1HB LEU 80 -10.878 6.041 -2.861 627 HG LEU 80 HG LEU 80 -11.891 6.898 -0.596 628 1HD1 LEU 80 1HD1 LEU 80 -10.032 5.349 0.939 629 2HD1 LEU 80 2HD1 LEU 80 -11.106 4.242 0.083 630 3HD1 LEU 80 3HD1 LEU 80 -11.779 5.479 1.145 631 1HD2 LEU 80 1HD2 LEU 80 -9.063 6.664 -0.055 632 2HD2 LEU 80 2HD2 LEU 80 -9.968 8.076 -0.602 633 3HD2 LEU 80 3HD2 LEU 80 -9.318 6.934 -1.780 634 H ASN 81 H ASN 81 -13.389 7.268 -3.467 635 HA ASN 81 HA ASN 81 -14.212 8.917 -1.283 636 1HB ASN 81 2HB ASN 81 -14.478 8.828 -4.253 637 2HB ASN 81 1HB ASN 81 -15.569 9.913 -3.391 638 1HD2 ASN 81 1HD2 ASN 81 -13.297 10.079 -1.228 639 2HD2 ASN 81 2HD2 ASN 81 -12.237 11.234 -1.881 640 H ILE 82 H ILE 82 -15.889 6.493 -3.195 641 HA ILE 82 HA ILE 82 -18.424 7.059 -1.698 642 HB ILE 82 HB ILE 82 -19.313 6.895 -3.771 643 1HG1 ILE 82 2HG1 ILE 82 -18.943 4.566 -4.953 644 2HG1 ILE 82 1HG1 ILE 82 -18.227 4.117 -3.405 645 1HG2 ILE 82 1HG2 ILE 82 -17.035 7.585 -4.548 646 2HG2 ILE 82 2HG2 ILE 82 -17.890 6.588 -5.726 647 3HG2 ILE 82 3HG2 ILE 82 -16.619 5.880 -4.728 648 1HD1 ILE 82 1HD1 ILE 82 -20.958 5.400 -3.632 649 2HD1 ILE 82 2HD1 ILE 82 -20.251 4.613 -2.222 650 3HD1 ILE 82 3HD1 ILE 82 -20.720 3.652 -3.624 651 H ALA 83 H ALA 83 -15.989 4.642 -2.481 652 HA ALA 83 HA ALA 83 -17.327 2.318 -1.473 653 1HB ALA 83 1HB ALA 83 -14.667 3.199 -2.321 654 2HB ALA 83 2HB ALA 83 -15.438 1.626 -2.525 655 3HB ALA 83 3HB ALA 83 -14.592 2.006 -1.025 656 H LYS 84 H LYS 84 -14.777 4.314 0.122 657 HA LYS 84 HA LYS 84 -15.044 3.126 2.691 658 1HB LYS 84 2HB LYS 84 -13.403 4.637 3.160 659 2HB LYS 84 1HB LYS 84 -13.465 4.995 1.434 660 1HG LYS 84 2HG LYS 84 -15.476 6.572 2.221 661 2HG LYS 84 1HG LYS 84 -14.568 6.547 3.733 662 1HD LYS 84 2HD LYS 84 -12.552 6.938 1.938 663 2HD LYS 84 1HD LYS 84 -13.876 7.789 1.140 664 1HE LYS 84 2HE LYS 84 -13.266 9.524 2.512 665 2HE LYS 84 1HE LYS 84 -14.172 8.628 3.748 666 1HZ LYS 84 1HZ LYS 84 -11.286 8.780 3.310 667 2HZ LYS 84 2HZ LYS 84 -12.155 8.667 4.764 668 H GLN 85 H GLN 85 -16.858 5.735 1.128 669 HA GLN 85 HA GLN 85 -18.172 6.694 3.515 670 1HB GLN 85 2HB GLN 85 -18.306 8.203 1.771 671 2HB GLN 85 1HB GLN 85 -18.415 6.933 0.551 672 1HG GLN 85 2HG GLN 85 -20.732 6.511 1.105 673 2HG GLN 85 1HG GLN 85 -20.649 7.607 2.484 674 1HE2 GLN 85 1HE2 GLN 85 -18.788 9.262 0.452 675 2HE2 GLN 85 2HE2 GLN 85 -19.942 10.162 -0.408 676 H LEU 86 H LEU 86 -18.732 4.031 1.313 677 HA LEU 86 HA LEU 86 -21.443 3.507 2.380 678 1HB LEU 86 2HB LEU 86 -20.179 3.134 -0.029 679 2HB LEU 86 1HB LEU 86 -20.101 1.519 0.674 680 HG LEU 86 HG LEU 86 -22.705 2.544 1.194 681 1HD1 LEU 86 1HD1 LEU 86 -23.452 3.499 -0.734 682 2HD1 LEU 86 2HD1 LEU 86 -22.465 2.447 -1.749 683 3HD1 LEU 86 3HD1 LEU 86 -21.748 3.872 -0.999 684 1HD2 LEU 86 1HD2 LEU 86 -22.174 0.579 -0.999 685 2HD2 LEU 86 2HD2 LEU 86 -23.342 0.496 0.319 686 3HD2 LEU 86 3HD2 LEU 86 -21.638 0.163 0.629 687 H ALA 87 H ALA 87 -18.173 2.134 2.473 688 HA ALA 87 HA ALA 87 -19.020 -0.064 4.251 689 1HB ALA 87 1HB ALA 87 -17.251 -0.959 3.167 690 2HB ALA 87 2HB ALA 87 -16.201 0.149 4.051 691 3HB ALA 87 3HB ALA 87 -16.844 0.612 2.477 692 H GLU 88 H GLU 88 -16.512 2.517 4.493 693 HA GLU 88 HA GLU 88 -15.700 2.426 7.050 694 1HB GLU 88 2HB GLU 88 -15.067 4.555 6.613 695 2HB GLU 88 1HB GLU 88 -15.842 4.306 5.055 696 1HG GLU 88 2HG GLU 88 -17.796 5.426 5.694 697 2HG GLU 88 1HG GLU 88 -17.483 5.186 7.413 698 H LYS 89 H LYS 89 -19.018 3.023 6.093 699 HA LYS 89 HA LYS 89 -19.942 4.126 8.601 700 1HB LYS 89 2HB LYS 89 -21.961 2.647 7.203 701 2HB LYS 89 1HB LYS 89 -21.724 4.394 7.237 702 1HG LYS 89 2HG LYS 89 -19.844 3.942 5.492 703 2HG LYS 89 1HG LYS 89 -20.649 2.389 5.265 704 1HD LYS 89 2HD LYS 89 -21.561 5.117 4.530 705 2HD LYS 89 1HD LYS 89 -21.878 3.573 3.739 706 1HE LYS 89 2HE LYS 89 -23.980 4.295 4.676 707 2HE LYS 89 1HE LYS 89 -23.379 3.020 5.754 708 1HZ LYS 89 1HZ LYS 89 -23.811 5.751 6.338 709 2HZ LYS 89 2HZ LYS 89 -23.335 4.504 7.388 710 H PHE 90 H PHE 90 -21.585 1.277 7.568 711 HA PHE 90 HA PHE 90 -20.779 -0.107 10.102 712 1HB PHE 90 2HB PHE 90 -23.270 -0.016 8.397 713 2HB PHE 90 1HB PHE 90 -23.023 -1.311 9.570 714 HD1 PHE 90 1HD PHE 90 -21.387 0.466 11.532 715 HD2 PHE 90 2HD PHE 90 -25.169 0.978 9.560 716 HE1 PHE 90 1HE PHE 90 -22.135 1.972 13.356 717 HE2 PHE 90 2HE PHE 90 -25.916 2.482 11.385 718 HZ PHE 90 HZ PHE 90 -24.399 2.979 13.282 719 H SER 91 H SER 91 -20.092 -0.156 6.870 720 HA SER 91 HA SER 91 -20.317 -2.989 6.288 721 1HB SER 91 2HB SER 91 -18.430 -1.122 4.900 722 2HB SER 91 1HB SER 91 -19.498 -2.339 4.209 723 HG SER 91 HG SER 91 -20.907 -0.811 3.977 724 H VAL 92 H VAL 92 -17.305 -1.066 6.274 725 HA VAL 92 HA VAL 92 -15.968 -3.351 7.690 726 HB VAL 92 HB VAL 92 -14.152 -1.711 6.198 727 1HG1 VAL 92 1HG1 VAL 92 -14.216 -4.248 6.795 728 2HG1 VAL 92 2HG1 VAL 92 -13.542 -3.767 5.238 729 3HG1 VAL 92 3HG1 VAL 92 -15.184 -4.403 5.329 730 1HG2 VAL 92 1HG2 VAL 92 -16.617 -1.365 5.105 731 2HG2 VAL 92 2HG2 VAL 92 -16.112 -2.836 4.273 732 3HG2 VAL 92 3HG2 VAL 92 -15.131 -1.375 4.155 733 H TYR 93 H TYR 93 -17.078 -0.337 8.268 734 HA TYR 93 HA TYR 93 -15.240 1.428 9.189 735 1HB TYR 93 2HB TYR 93 -16.980 2.155 10.473 736 2HB TYR 93 1HB TYR 93 -17.871 0.831 9.721 737 HD1 TYR 93 1HD TYR 93 -17.516 -1.541 10.858 738 HD2 TYR 93 2HD TYR 93 -16.857 2.232 12.803 739 HE1 TYR 93 1HE TYR 93 -17.757 -2.638 13.069 740 HE2 TYR 93 2HE TYR 93 -17.099 1.136 15.014 741 HH TYR 93 HH TYR 93 -17.807 -2.353 15.266 742 H ASP 94 H ASP 94 -15.690 -1.822 10.455 743 HA ASP 94 HA ASP 94 -13.812 -1.363 12.699 744 1HB ASP 94 2HB ASP 94 -15.949 -3.151 11.991 745 2HB ASP 94 1HB ASP 94 -14.507 -4.103 12.342 746 H GLN 95 H GLN 95 -14.027 -3.656 9.945 747 HA GLN 95 HA GLN 95 -11.437 -4.750 10.124 748 1HB GLN 95 2HB GLN 95 -13.666 -4.683 8.341 749 2HB GLN 95 1HB GLN 95 -12.208 -4.414 7.384 750 1HG GLN 95 2HG GLN 95 -12.973 -6.870 7.852 751 2HG GLN 95 1HG GLN 95 -11.264 -6.466 8.007 752 1HE2 GLN 95 1HE2 GLN 95 -14.217 -6.369 10.095 753 2HE2 GLN 95 2HE2 GLN 95 -13.429 -6.955 11.480 754 H LEU 96 H LEU 96 -12.498 -1.739 8.540 755 HA LEU 96 HA LEU 96 -9.750 -1.196 7.579 756 1HB LEU 96 2HB LEU 96 -11.657 0.958 7.281 757 2HB LEU 96 1HB LEU 96 -10.919 -0.042 6.029 758 HG LEU 96 HG LEU 96 -13.356 -0.773 7.681 759 1HD1 LEU 96 1HD1 LEU 96 -12.920 0.348 4.942 760 2HD1 LEU 96 2HD1 LEU 96 -14.212 0.679 6.096 761 3HD1 LEU 96 3HD1 LEU 96 -14.226 -0.817 5.161 762 1HD2 LEU 96 1HD2 LEU 96 -12.849 -2.902 7.133 763 2HD2 LEU 96 2HD2 LEU 96 -11.457 -2.371 6.189 764 3HD2 LEU 96 3HD2 LEU 96 -13.050 -2.461 5.437 765 H LYS 97 H LYS 97 -10.154 -1.294 10.478 766 HA LYS 97 HA LYS 97 -10.502 1.246 11.697 767 1HB LYS 97 2HB LYS 97 -8.809 -1.177 12.376 768 2HB LYS 97 1HB LYS 97 -9.066 0.165 13.493 769 1HG LYS 97 2HG LYS 97 -10.864 -2.027 12.792 770 2HG LYS 97 1HG LYS 97 -10.939 -0.910 14.155 771 1HD LYS 97 2HD LYS 97 -11.568 0.351 11.577 772 2HD LYS 97 1HD LYS 97 -12.697 -0.926 12.029 773 1HE LYS 97 2HE LYS 97 -12.431 1.746 13.146 774 2HE LYS 97 1HE LYS 97 -13.692 0.534 13.450 775 1HZ LYS 97 1HZ LYS 97 -11.474 1.204 15.070 776 2HZ LYS 97 2HZ LYS 97 -12.741 0.121 15.400 777 HA PRO 98 HA PRO 98 -5.757 1.884 11.367 778 1HB PRO 98 2HB PRO 98 -4.392 0.109 9.749 779 2HB PRO 98 1HB PRO 98 -4.566 -0.079 11.505 780 1HG PRO 98 2HG PRO 98 -6.027 -1.427 9.304 781 2HG PRO 98 1HG PRO 98 -5.536 -2.050 10.886 782 1HD PRO 98 2HD PRO 98 -8.088 -1.294 10.279 783 2HD PRO 98 1HD PRO 98 -7.413 -1.262 11.922 784 H LEU 99 H LEU 99 -6.586 0.190 8.307 785 HA LEU 99 HA LEU 99 -5.473 1.894 6.437 786 1HB LEU 99 2HB LEU 99 -6.555 0.070 5.521 787 2HB LEU 99 1HB LEU 99 -7.937 0.217 6.608 788 HG LEU 99 HG LEU 99 -7.928 2.574 5.059 789 1HD1 LEU 99 1HD1 LEU 99 -6.799 1.937 3.187 790 2HD1 LEU 99 2HD1 LEU 99 -8.268 1.032 2.821 791 3HD1 LEU 99 3HD1 LEU 99 -6.903 0.224 3.594 792 1HD2 LEU 99 1HD2 LEU 99 -9.603 0.074 4.676 793 2HD2 LEU 99 2HD2 LEU 99 -10.068 1.731 4.287 794 3HD2 LEU 99 3HD2 LEU 99 -9.864 1.244 5.970 795 H PHE 100 H PHE 100 -8.480 2.424 8.259 796 HA PHE 100 HA PHE 100 -8.971 4.996 6.877 797 1HB PHE 100 2HB PHE 100 -10.443 2.994 8.316 798 2HB PHE 100 1HB PHE 100 -10.686 4.549 9.112 799 HD1 PHE 100 1HD PHE 100 -11.420 2.528 6.192 800 HD2 PHE 100 2HD PHE 100 -11.463 6.530 7.751 801 HE1 PHE 100 1HE PHE 100 -12.969 3.217 4.381 802 HE2 PHE 100 2HE PHE 100 -13.013 7.219 5.940 803 HZ PHE 100 HZ PHE 100 -13.765 5.563 4.256 804 H ASP 101 H ASP 101 -7.528 3.793 9.811 805 HA ASP 101 HA ASP 101 -7.744 6.291 11.313 806 1HB ASP 101 2HB ASP 101 -6.506 3.588 11.580 807 2HB ASP 101 1HB ASP 101 -5.845 4.879 12.582 808 H PHE 102 H PHE 102 -5.779 5.245 8.738 809 HA PHE 102 HA PHE 102 -3.251 6.425 9.438 810 1HB PHE 102 2HB PHE 102 -4.299 4.907 7.409 811 2HB PHE 102 1HB PHE 102 -4.108 6.467 6.608 812 HD1 PHE 102 1HD PHE 102 -1.817 6.564 9.181 813 HD2 PHE 102 2HD PHE 102 -2.449 4.605 5.410 814 HE1 PHE 102 1HE PHE 102 0.622 6.166 8.980 815 HE2 PHE 102 2HE PHE 102 -0.009 4.207 5.209 816 HZ PHE 102 HZ PHE 102 1.526 4.986 6.993 817 H THR 103 H THR 103 -3.099 8.577 9.986 818 HA THR 103 HA THR 103 -4.845 10.550 8.601 819 HB THR 103 HB THR 103 -3.104 11.554 10.703 820 HG1 THR 103 1HG THR 103 -3.273 9.272 11.245 821 1HG2 THR 103 1HG2 THR 103 -5.987 11.216 11.210 822 2HG2 THR 103 2HG2 THR 103 -5.608 12.065 9.712 823 3HG2 THR 103 3HG2 THR 103 -5.000 12.676 11.250 824 H GLN 104 H GLN 104 -1.822 9.270 8.155 825 HA GLN 104 HA GLN 104 -0.518 11.835 7.405 826 1HB GLN 104 2HB GLN 104 0.373 9.576 8.616 827 2HB GLN 104 1HB GLN 104 0.771 9.199 6.940 828 1HG GLN 104 2HG GLN 104 2.656 10.349 8.005 829 2HG GLN 104 1HG GLN 104 1.955 11.374 6.752 830 1HE2 GLN 104 1HE2 GLN 104 -0.292 11.361 9.202 831 2HE2 GLN 104 2HE2 GLN 104 0.214 12.738 10.056 832 H THR 105 H THR 105 -1.171 12.542 5.391 833 HA THR 105 HA THR 105 -1.447 10.510 3.205 834 HB THR 105 HB THR 105 -3.294 11.686 2.603 835 HG1 THR 105 1HG THR 105 -1.920 14.095 3.176 836 1HG2 THR 105 1HG2 THR 105 -2.662 12.438 5.362 837 2HG2 THR 105 2HG2 THR 105 -4.194 11.914 4.664 838 3HG2 THR 105 3HG2 THR 105 -3.706 13.606 4.552 839 H ASP 106 H ASP 106 0.533 10.438 2.145 840 HA ASP 106 HA ASP 106 2.152 12.889 1.832 841 1HB ASP 106 2HB ASP 106 2.644 10.188 2.144 842 2HB ASP 106 1HB ASP 106 2.932 10.428 0.420 843 H GLY 107 H GLY 107 0.307 10.623 -0.200 844 1HA GLY 107 2HA GLY 107 -0.822 11.210 -2.231 845 2HA GLY 107 1HA GLY 107 0.098 12.715 -2.278 846 H SER 108 H SER 108 2.514 10.811 -1.616 847 HA SER 108 HA SER 108 3.246 10.411 -4.457 848 1HB SER 108 2HB SER 108 5.477 9.973 -3.418 849 2HB SER 108 1HB SER 108 4.788 11.508 -2.897 850 HG SER 108 HG SER 108 5.339 10.576 -1.030 851 H ALA 109 H ALA 109 2.226 8.512 -5.184 852 HA ALA 109 HA ALA 109 1.792 6.159 -3.621 853 1HB ALA 109 1HB ALA 109 0.615 6.698 -5.701 854 2HB ALA 109 2HB ALA 109 1.435 5.146 -5.877 855 3HB ALA 109 3HB ALA 109 2.125 6.597 -6.606 856 H SER 110 H SER 110 3.434 4.981 -2.714 857 HA SER 110 HA SER 110 5.950 4.589 -4.295 858 1HB SER 110 2HB SER 110 5.727 4.128 -1.342 859 2HB SER 110 1HB SER 110 7.094 4.733 -2.275 860 HG SER 110 HG SER 110 5.770 6.643 -2.637 861 HA PRO 111 HA PRO 111 5.162 0.331 -4.989 862 1HB PRO 111 2HB PRO 111 7.742 -0.044 -3.517 863 2HB PRO 111 1HB PRO 111 7.232 -0.710 -5.081 864 1HG PRO 111 2HG PRO 111 8.900 1.437 -4.795 865 2HG PRO 111 1HG PRO 111 7.907 1.122 -6.223 866 1HD PRO 111 2HD PRO 111 7.669 3.268 -4.306 867 2HD PRO 111 1HD PRO 111 6.753 3.013 -5.806 868 HA PRO 112 HA PRO 112 3.334 -1.172 -1.315 869 1HB PRO 112 2HB PRO 112 4.027 -3.885 -1.486 870 2HB PRO 112 1HB PRO 112 2.615 -3.129 -2.247 871 1HG PRO 112 2HG PRO 112 5.223 -3.876 -3.427 872 2HG PRO 112 1HG PRO 112 3.615 -3.835 -4.165 873 1HD PRO 112 2HD PRO 112 5.510 -1.963 -4.659 874 2HD PRO 112 1HD PRO 112 3.768 -1.606 -4.692 875 HA PRO 113 HA PRO 113 6.792 -1.167 1.464 876 1HB PRO 113 2HB PRO 113 4.895 -1.167 3.652 877 2HB PRO 113 1HB PRO 113 5.872 0.182 3.051 878 1HG PRO 113 2HG PRO 113 3.137 0.001 2.834 879 2HG PRO 113 1HG PRO 113 4.173 1.016 1.822 880 1HD PRO 113 2HD PRO 113 2.887 -1.584 1.193 881 2HD PRO 113 1HD PRO 113 3.262 -0.212 0.126 882 H ALA 114 H ALA 114 4.267 -3.481 1.206 883 HA ALA 114 HA ALA 114 4.327 -5.315 3.167 884 1HB ALA 114 1HB ALA 114 5.180 -6.310 0.471 885 2HB ALA 114 2HB ALA 114 3.676 -5.396 0.586 886 3HB ALA 114 3HB ALA 114 3.876 -6.884 1.510 887 HA PRO 115 HA PRO 115 8.272 -6.815 4.311 888 1HB PRO 115 2HB PRO 115 8.153 -9.523 3.527 889 2HB PRO 115 1HB PRO 115 7.640 -8.865 5.090 890 1HG PRO 115 2HG PRO 115 6.021 -9.619 2.738 891 2HG PRO 115 1HG PRO 115 5.599 -9.633 4.456 892 1HD PRO 115 2HD PRO 115 4.660 -7.773 2.729 893 2HD PRO 115 1HD PRO 115 4.946 -7.432 4.450 894 H LYS 116 H LYS 116 10.051 -6.227 3.137 895 HA LYS 116 HA LYS 116 10.196 -6.783 0.242 896 1HB LYS 116 2HB LYS 116 10.990 -4.753 1.945 897 2HB LYS 116 1HB LYS 116 12.508 -5.586 1.608 898 1HG LYS 116 2HG LYS 116 11.917 -5.473 -0.849 899 2HG LYS 116 1HG LYS 116 10.567 -4.426 -0.407 900 1HD LYS 116 2HD LYS 116 13.284 -3.732 0.634 901 2HD LYS 116 1HD LYS 116 12.937 -3.404 -1.063 902 1HE LYS 116 2HE LYS 116 11.189 -1.900 -0.544 903 2HE LYS 116 1HE LYS 116 11.023 -2.527 1.109 904 1HZ LYS 116 1HZ LYS 116 12.708 -0.473 0.211 905 2HZ LYS 116 2HZ LYS 116 13.688 -1.768 0.707 906 H HIS 117 H HIS 117 11.829 -8.083 -0.719 907 HA HIS 117 HA HIS 117 12.838 -10.277 0.948 908 1HB HIS 117 2HB HIS 117 13.631 -9.834 -1.904 909 2HB HIS 117 1HB HIS 117 13.129 -11.323 -1.103 910 HD1 HIS 117 1HD HIS 117 10.440 -11.058 -0.182 911 HD2 HIS 117 2HD HIS 117 11.629 -8.922 -3.558 912 HE1 HIS 117 1HE HIS 117 8.320 -10.447 -1.427 913 H HIS 118 H HIS 118 15.030 -10.657 1.439 914 HA HIS 118 HA HIS 118 16.791 -8.547 1.945 915 1HB HIS 118 2HB HIS 118 18.494 -10.597 1.545 916 2HB HIS 118 1HB HIS 118 17.412 -10.537 2.936 917 HD1 HIS 118 1HD HIS 118 16.479 -12.830 3.240 918 HD2 HIS 118 2HD HIS 118 16.615 -11.752 -0.785 919 HE1 HIS 118 1HE HIS 118 15.401 -14.727 1.954 920 H HIS 119 H HIS 119 18.325 -7.434 0.724 921 HA HIS 119 HA HIS 119 18.279 -7.904 -2.220 922 1HB HIS 119 2HB HIS 119 18.268 -5.657 -0.454 923 2HB HIS 119 1HB HIS 119 19.751 -5.583 -1.406 924 HD1 HIS 119 1HD HIS 119 18.999 -3.722 -2.999 925 HD2 HIS 119 2HD HIS 119 16.386 -6.969 -2.942 926 HE1 HIS 119 1HE HIS 119 17.385 -3.377 -4.921 927 H ALA 120 H ALA 120 20.293 -8.046 -3.388 928 HA ALA 120 HA ALA 120 22.295 -9.718 -2.504 929 1HB ALA 120 1HB ALA 120 23.172 -9.171 -4.529 930 2HB ALA 120 2HB ALA 120 23.322 -7.470 -4.089 931 3HB ALA 120 3HB ALA 120 21.786 -8.093 -4.692 932 H SER 121 H SER 121 23.968 -9.579 -1.041 933 HA SER 121 HA SER 121 24.446 -6.932 0.267 934 1HB SER 121 2HB SER 121 24.828 -8.164 2.201 935 2HB SER 121 1HB SER 121 23.712 -9.243 1.370 936 HG SER 121 HG SER 121 25.891 -10.035 2.216 937 H LYS 122 H LYS 122 25.983 -6.133 -1.306 938 HA LYS 122 HA LYS 122 28.262 -7.638 -2.222 939 1HB LYS 122 2HB LYS 122 28.100 -4.638 -1.917 940 2HB LYS 122 1HB LYS 122 28.877 -5.567 -3.199 941 1HG LYS 122 2HG LYS 122 26.581 -6.427 -3.833 942 2HG LYS 122 1HG LYS 122 25.907 -5.251 -2.704 943 1HD LYS 122 2HD LYS 122 25.895 -4.238 -4.895 944 2HD LYS 122 1HD LYS 122 27.169 -3.456 -3.956 945 1HE LYS 122 2HE LYS 122 27.498 -4.631 -6.465 946 2HE LYS 122 1HE LYS 122 28.808 -4.251 -5.330 947 1HZ LYS 122 1HZ LYS 122 27.708 -6.796 -6.015 948 2HZ LYS 122 2HZ LYS 122 29.136 -6.435 -5.169 949 H VAL 123 H VAL 123 29.766 -8.408 -0.771 950 HA VAL 123 HA VAL 123 30.488 -6.725 1.589 951 HB VAL 123 HB VAL 123 30.853 -9.638 0.837 952 1HG1 VAL 123 1HG1 VAL 123 31.485 -9.141 3.574 953 2HG1 VAL 123 2HG1 VAL 123 32.448 -8.036 2.593 954 3HG1 VAL 123 3HG1 VAL 123 32.544 -9.775 2.313 955 1HG2 VAL 123 1HG2 VAL 123 29.491 -9.818 3.035 956 2HG2 VAL 123 2HG2 VAL 123 28.638 -9.272 1.591 957 3HG2 VAL 123 3HG2 VAL 123 29.154 -8.102 2.804 958 H ASP 124 H ASP 124 32.663 -6.103 1.925 959 HA ASP 124 HA ASP 124 34.312 -5.580 -0.330 960 1HB ASP 124 2HB ASP 124 35.165 -5.926 2.560 961 2HB ASP 124 1HB ASP 124 35.907 -4.879 1.348 Start of MODEL 18 1 H SER 2 H SER 2 -3.412 -4.548 9.327 2 HA SER 2 HA SER 2 -6.243 -4.058 10.143 3 1HB SER 2 2HB SER 2 -5.240 -4.366 12.243 4 2HB SER 2 1HB SER 2 -3.704 -3.687 11.714 5 HG SER 2 HG SER 2 -4.451 -1.936 12.612 6 H ASN 3 H ASN 3 -4.309 -1.516 11.059 7 HA ASN 3 HA ASN 3 -5.195 0.161 8.842 8 1HB ASN 3 2HB ASN 3 -4.401 1.904 10.217 9 2HB ASN 3 1HB ASN 3 -4.841 0.657 11.383 10 1HD2 ASN 3 1HD2 ASN 3 -3.250 0.481 12.961 11 2HD2 ASN 3 2HD2 ASN 3 -1.581 0.611 12.685 12 H GLN 4 H GLN 4 -2.960 -2.113 8.694 13 HA GLN 4 HA GLN 4 -0.556 -0.739 7.851 14 1HB GLN 4 2HB GLN 4 -1.705 -3.481 7.889 15 2HB GLN 4 1HB GLN 4 -0.421 -3.197 6.713 16 1HG GLN 4 2HG GLN 4 0.226 -3.961 9.129 17 2HG GLN 4 1HG GLN 4 1.153 -2.669 8.366 18 1HE2 GLN 4 1HE2 GLN 4 -0.802 -3.454 11.096 19 2HE2 GLN 4 2HE2 GLN 4 -0.931 -1.886 11.731 20 H ILE 5 H ILE 5 -0.678 0.630 6.090 21 HA ILE 5 HA ILE 5 -2.113 -0.375 3.652 22 HB ILE 5 HB ILE 5 -1.666 2.425 4.737 23 1HG1 ILE 5 2HG1 ILE 5 -4.277 2.273 4.628 24 2HG1 ILE 5 1HG1 ILE 5 -4.003 0.530 4.602 25 1HG2 ILE 5 1HG2 ILE 5 -1.999 3.169 2.638 26 2HG2 ILE 5 2HG2 ILE 5 -3.572 2.372 2.631 27 3HG2 ILE 5 3HG2 ILE 5 -2.145 1.512 2.052 28 1HD1 ILE 5 1HD1 ILE 5 -2.349 1.773 6.626 29 2HD1 ILE 5 2HD1 ILE 5 -3.561 0.505 6.810 30 3HD1 ILE 5 3HD1 ILE 5 -4.043 2.201 6.870 31 H TYR 6 H TYR 6 -0.323 -1.279 2.563 32 HA TYR 6 HA TYR 6 2.191 0.260 2.327 33 1HB TYR 6 2HB TYR 6 1.315 -2.384 1.122 34 2HB TYR 6 1HB TYR 6 2.970 -1.791 1.252 35 HD1 TYR 6 1HD TYR 6 2.832 -0.565 3.995 36 HD2 TYR 6 2HD TYR 6 1.390 -4.326 2.502 37 HE1 TYR 6 1HE TYR 6 3.003 -1.535 6.271 38 HE2 TYR 6 2HE TYR 6 1.563 -5.296 4.777 39 HH TYR 6 HH TYR 6 1.934 -3.431 7.545 40 H SER 7 H SER 7 3.120 0.521 0.067 41 HA SER 7 HA SER 7 0.953 1.329 -1.842 42 1HB SER 7 2HB SER 7 2.071 3.293 -1.586 43 2HB SER 7 1HB SER 7 3.456 2.497 -0.844 44 HG SER 7 HG SER 7 2.833 2.630 -3.615 45 H ALA 8 H ALA 8 1.142 0.672 -4.019 46 HA ALA 8 HA ALA 8 3.505 -0.917 -4.854 47 1HB ALA 8 1HB ALA 8 2.085 -2.850 -5.397 48 2HB ALA 8 2HB ALA 8 0.660 -1.979 -4.831 49 3HB ALA 8 3HB ALA 8 1.919 -2.449 -3.689 50 H ARG 9 H ARG 9 3.480 -1.299 -7.218 51 HA ARG 9 HA ARG 9 1.561 0.477 -8.686 52 1HB ARG 9 2HB ARG 9 3.623 1.657 -8.575 53 2HB ARG 9 1HB ARG 9 4.563 0.193 -8.854 54 1HG ARG 9 2HG ARG 9 2.600 0.946 -10.961 55 2HG ARG 9 1HG ARG 9 4.041 1.953 -10.818 56 1HD ARG 9 2HD ARG 9 4.183 -1.074 -10.970 57 2HD ARG 9 1HD ARG 9 4.286 -0.029 -12.402 58 HE ARG 9 HE ARG 9 6.341 -0.300 -10.340 59 1HH1 ARG 9 1HH1 ARG 9 4.873 1.705 -12.730 60 1HH2 ARG 9 1HH2 ARG 9 8.196 0.955 -10.648 61 2HH2 ARG 9 2HH2 ARG 9 8.167 2.249 -11.798 62 H TYR 10 H TYR 10 0.375 -0.812 -10.037 63 HA TYR 10 HA TYR 10 1.796 -2.908 -11.614 64 1HB TYR 10 2HB TYR 10 -0.341 -3.218 -9.555 65 2HB TYR 10 1HB TYR 10 -0.463 -4.233 -10.992 66 HD1 TYR 10 1HD TYR 10 0.864 -4.078 -7.762 67 HD2 TYR 10 2HD TYR 10 1.920 -5.266 -11.753 68 HE1 TYR 10 1HE TYR 10 2.616 -5.579 -6.852 69 HE2 TYR 10 2HE TYR 10 3.672 -6.766 -10.843 70 HH TYR 10 HH TYR 10 5.021 -6.581 -8.131 71 H SER 11 H SER 11 0.467 -3.628 -13.483 72 HA SER 11 HA SER 11 -0.891 -3.162 -15.357 73 1HB SER 11 2HB SER 11 -3.037 -3.158 -14.630 74 2HB SER 11 1HB SER 11 -2.376 -3.061 -13.000 75 HG SER 11 HG SER 11 -3.930 -1.357 -13.832 76 H GLY 12 H GLY 12 1.219 -1.195 -14.667 77 1HA GLY 12 2HA GLY 12 1.891 0.877 -15.550 78 2HA GLY 12 1HA GLY 12 0.350 0.948 -16.405 79 H VAL 13 H VAL 13 -0.699 0.404 -13.429 80 HA VAL 13 HA VAL 13 -0.577 3.284 -12.594 81 HB VAL 13 HB VAL 13 -3.018 1.651 -12.086 82 1HG1 VAL 13 1HG1 VAL 13 -3.565 3.770 -11.498 83 2HG1 VAL 13 2HG1 VAL 13 -3.702 4.076 -13.230 84 3HG1 VAL 13 3HG1 VAL 13 -2.202 4.455 -12.384 85 1HG2 VAL 13 1HG2 VAL 13 -3.082 0.972 -14.265 86 2HG2 VAL 13 2HG2 VAL 13 -1.889 2.169 -14.773 87 3HG2 VAL 13 3HG2 VAL 13 -3.579 2.635 -14.573 88 H ASP 14 H ASP 14 -0.191 3.575 -10.395 89 HA ASP 14 HA ASP 14 0.504 1.231 -8.799 90 1HB ASP 14 2HB ASP 14 0.274 3.988 -7.672 91 2HB ASP 14 1HB ASP 14 1.570 2.807 -7.483 92 H VAL 15 H VAL 15 -0.415 0.858 -6.643 93 HA VAL 15 HA VAL 15 -3.115 1.969 -6.112 94 HB VAL 15 HB VAL 15 -3.885 -0.488 -5.880 95 1HG1 VAL 15 1HG1 VAL 15 -3.719 -0.560 -8.624 96 2HG1 VAL 15 2HG1 VAL 15 -3.467 1.154 -8.291 97 3HG1 VAL 15 3HG1 VAL 15 -4.928 0.349 -7.716 98 1HG2 VAL 15 1HG2 VAL 15 -2.597 -2.187 -6.834 99 2HG2 VAL 15 2HG2 VAL 15 -1.347 -1.173 -6.113 100 3HG2 VAL 15 3HG2 VAL 15 -1.682 -1.065 -7.841 101 H TYR 16 H TYR 16 -3.925 0.739 -3.960 102 HA TYR 16 HA TYR 16 -1.562 0.621 -2.116 103 1HB TYR 16 2HB TYR 16 -4.439 1.216 -1.394 104 2HB TYR 16 1HB TYR 16 -2.982 1.630 -0.489 105 HD1 TYR 16 1HD TYR 16 -1.750 3.621 -0.954 106 HD2 TYR 16 2HD TYR 16 -4.913 2.373 -3.580 107 HE1 TYR 16 1HE TYR 16 -1.636 5.803 -2.128 108 HE2 TYR 16 2HE TYR 16 -4.799 4.555 -4.753 109 HH TYR 16 HH TYR 16 -3.227 6.367 -5.112 110 H GLU 17 H GLU 17 -1.407 -1.206 -0.771 111 HA GLU 17 HA GLU 17 -3.541 -3.288 -1.139 112 1HB GLU 17 2HB GLU 17 -0.590 -3.685 -0.571 113 2HB GLU 17 1HB GLU 17 -1.752 -4.910 -1.080 114 1HG GLU 17 2HG GLU 17 -1.881 -4.068 -3.264 115 2HG GLU 17 1HG GLU 17 -1.272 -2.482 -2.791 116 H PHE 18 H PHE 18 -4.639 -3.642 0.729 117 HA PHE 18 HA PHE 18 -3.145 -3.485 3.322 118 1HB PHE 18 2HB PHE 18 -5.932 -2.721 3.533 119 2HB PHE 18 1HB PHE 18 -4.498 -1.788 3.960 120 HD1 PHE 18 1HD PHE 18 -3.086 -1.383 1.487 121 HD2 PHE 18 2HD PHE 18 -7.323 -1.407 2.193 122 HE1 PHE 18 1HE PHE 18 -3.427 0.054 -0.506 123 HE2 PHE 18 2HE PHE 18 -7.663 0.030 0.201 124 HZ PHE 18 HZ PHE 18 -5.716 0.760 -1.149 125 H ILE 19 H ILE 19 -3.661 -5.156 4.752 126 HA ILE 19 HA ILE 19 -5.206 -7.414 3.711 127 HB ILE 19 HB ILE 19 -3.280 -6.785 5.804 128 1HG1 ILE 19 2HG1 ILE 19 -2.804 -9.225 5.528 129 2HG1 ILE 19 1HG1 ILE 19 -4.220 -9.351 4.484 130 1HG2 ILE 19 1HG2 ILE 19 -5.529 -8.690 6.524 131 2HG2 ILE 19 2HG2 ILE 19 -5.288 -7.099 7.247 132 3HG2 ILE 19 3HG2 ILE 19 -4.086 -8.367 7.486 133 1HD1 ILE 19 1HD1 ILE 19 -2.450 -7.157 3.705 134 2HD1 ILE 19 2HD1 ILE 19 -3.120 -8.457 2.722 135 3HD1 ILE 19 3HD1 ILE 19 -1.645 -8.725 3.650 136 H HIS 20 H HIS 20 -7.333 -7.858 4.181 137 HA HIS 20 HA HIS 20 -8.597 -6.637 6.575 138 1HB HIS 20 2HB HIS 20 -8.684 -5.454 4.035 139 2HB HIS 20 1HB HIS 20 -10.237 -6.277 4.191 140 HD1 HIS 20 1HD HIS 20 -9.455 -5.650 7.532 141 HD2 HIS 20 2HD HIS 20 -10.649 -3.145 4.421 142 HE1 HIS 20 1HE HIS 20 -10.394 -3.562 8.615 143 H SER 21 H SER 21 -11.243 -7.239 5.176 144 HA SER 21 HA SER 21 -11.594 -9.935 6.129 145 1HB SER 21 2HB SER 21 -13.381 -8.241 5.981 146 2HB SER 21 1HB SER 21 -13.215 -8.202 4.228 147 HG SER 21 HG SER 21 -14.298 -10.008 4.098 148 H THR 22 H THR 22 -10.939 -8.516 2.954 149 HA THR 22 HA THR 22 -11.012 -11.193 1.660 150 HB THR 22 HB THR 22 -10.407 -8.480 0.453 151 HG1 THR 22 1HG THR 22 -12.464 -8.026 0.521 152 1HG2 THR 22 1HG2 THR 22 -11.771 -10.888 -0.764 153 2HG2 THR 22 2HG2 THR 22 -10.025 -10.647 -0.833 154 3HG2 THR 22 3HG2 THR 22 -11.107 -9.484 -1.598 155 H GLY 23 H GLY 23 -8.881 -9.739 3.557 156 1HA GLY 23 2HA GLY 23 -6.585 -10.410 3.804 157 2HA GLY 23 1HA GLY 23 -6.558 -10.855 2.095 158 H SER 24 H SER 24 -5.390 -9.484 0.860 159 HA SER 24 HA SER 24 -4.704 -6.796 1.869 160 1HB SER 24 2HB SER 24 -3.425 -8.779 0.438 161 2HB SER 24 1HB SER 24 -3.835 -7.616 -0.818 162 HG SER 24 HG SER 24 -1.937 -6.909 -0.001 163 H ILE 25 H ILE 25 -5.345 -4.866 0.877 164 HA ILE 25 HA ILE 25 -7.481 -5.113 -1.215 165 HB ILE 25 HB ILE 25 -7.012 -3.326 1.163 166 1HG1 ILE 25 2HG1 ILE 25 -9.689 -3.846 0.959 167 2HG1 ILE 25 1HG1 ILE 25 -9.009 -5.288 0.205 168 1HG2 ILE 25 1HG2 ILE 25 -8.402 -1.628 0.347 169 2HG2 ILE 25 2HG2 ILE 25 -9.094 -2.661 -0.904 170 3HG2 ILE 25 3HG2 ILE 25 -7.452 -2.040 -1.080 171 1HD1 ILE 25 1HD1 ILE 25 -8.456 -6.102 2.227 172 2HD1 ILE 25 2HD1 ILE 25 -9.176 -4.681 2.984 173 3HD1 ILE 25 3HD1 ILE 25 -7.469 -4.675 2.542 174 H MET 26 H MET 26 -6.897 -4.276 -3.179 175 HA MET 26 HA MET 26 -4.571 -2.394 -3.284 176 1HB MET 26 2HB MET 26 -5.532 -4.692 -4.812 177 2HB MET 26 1HB MET 26 -5.150 -3.317 -5.849 178 1HG MET 26 2HG MET 26 -2.918 -3.157 -4.906 179 2HG MET 26 1HG MET 26 -3.289 -4.409 -3.720 180 1HE MET 26 1HE MET 26 -1.558 -3.486 -6.466 181 2HE MET 26 2HE MET 26 -2.760 -3.775 -7.721 182 3HE MET 26 3HE MET 26 -1.355 -4.831 -7.597 183 H LYS 27 H LYS 27 -5.039 -0.299 -3.762 184 HA LYS 27 HA LYS 27 -7.689 0.341 -4.999 185 1HB LYS 27 2HB LYS 27 -6.200 1.304 -2.785 186 2HB LYS 27 1HB LYS 27 -6.209 2.599 -3.983 187 1HG LYS 27 2HG LYS 27 -8.587 2.655 -4.060 188 2HG LYS 27 1HG LYS 27 -8.725 1.117 -3.209 189 1HD LYS 27 2HD LYS 27 -7.681 2.183 -1.202 190 2HD LYS 27 1HD LYS 27 -7.704 3.727 -2.055 191 1HE LYS 27 2HE LYS 27 -10.156 3.620 -2.240 192 2HE LYS 27 1HE LYS 27 -10.156 2.042 -1.427 193 1HZ LYS 27 1HZ LYS 27 -9.362 4.672 -0.336 194 2HZ LYS 27 2HZ LYS 27 -8.798 3.230 0.360 195 H ARG 28 H ARG 28 -7.723 2.029 -6.667 196 HA ARG 28 HA ARG 28 -5.346 1.906 -8.435 197 1HB ARG 28 2HB ARG 28 -7.723 1.480 -9.171 198 2HB ARG 28 1HB ARG 28 -8.069 3.177 -8.839 199 1HG ARG 28 2HG ARG 28 -7.071 3.859 -10.748 200 2HG ARG 28 1HG ARG 28 -5.667 2.827 -10.471 201 1HD ARG 28 2HD ARG 28 -6.551 1.068 -11.686 202 2HD ARG 28 1HD ARG 28 -8.225 1.488 -11.266 203 HE ARG 28 HE ARG 28 -6.628 3.233 -13.099 204 1HH1 ARG 28 1HH1 ARG 28 -9.400 1.363 -12.259 205 1HH2 ARG 28 1HH2 ARG 28 -7.822 3.915 -14.893 206 2HH2 ARG 28 2HH2 ARG 28 -9.434 3.322 -15.121 207 H LYS 29 H LYS 29 -4.089 3.712 -8.923 208 HA LYS 29 HA LYS 29 -4.060 5.941 -7.097 209 1HB LYS 29 2HB LYS 29 -2.780 5.613 -9.823 210 2HB LYS 29 1HB LYS 29 -2.247 6.701 -8.541 211 1HG LYS 29 2HG LYS 29 -2.514 3.956 -7.594 212 2HG LYS 29 1HG LYS 29 -1.373 4.082 -8.933 213 1HD LYS 29 2HD LYS 29 -1.254 6.070 -6.681 214 2HD LYS 29 1HD LYS 29 -0.519 4.478 -6.485 215 1HE LYS 29 2HE LYS 29 1.299 5.504 -7.453 216 2HE LYS 29 1HE LYS 29 0.422 5.178 -8.961 217 1HZ LYS 29 1HZ LYS 29 0.871 7.497 -8.911 218 2HZ LYS 29 2HZ LYS 29 -0.780 7.315 -8.560 219 H LYS 30 H LYS 30 -5.310 5.526 -10.398 220 HA LYS 30 HA LYS 30 -5.886 8.269 -10.949 221 1HB LYS 30 2HB LYS 30 -6.793 5.571 -11.881 222 2HB LYS 30 1HB LYS 30 -7.711 6.983 -12.407 223 1HG LYS 30 2HG LYS 30 -5.940 6.469 -14.030 224 2HG LYS 30 1HG LYS 30 -5.621 8.017 -13.245 225 1HD LYS 30 2HD LYS 30 -4.482 5.683 -11.846 226 2HD LYS 30 1HD LYS 30 -3.792 5.987 -13.441 227 1HE LYS 30 2HE LYS 30 -3.728 8.501 -12.576 228 2HE LYS 30 1HE LYS 30 -3.710 7.708 -10.988 229 1HZ LYS 30 1HZ LYS 30 -1.925 6.251 -11.830 230 2HZ LYS 30 2HZ LYS 30 -1.878 7.161 -13.264 231 H ASP 31 H ASP 31 -8.134 5.694 -9.849 232 HA ASP 31 HA ASP 31 -9.863 7.856 -8.687 233 1HB ASP 31 2HB ASP 31 -10.790 5.085 -9.407 234 2HB ASP 31 1HB ASP 31 -11.712 6.587 -9.378 235 H ASP 32 H ASP 32 -7.667 5.564 -7.789 236 HA ASP 32 HA ASP 32 -7.379 4.212 -5.853 237 1HB ASP 32 2HB ASP 32 -8.864 6.546 -4.625 238 2HB ASP 32 1HB ASP 32 -7.545 5.612 -3.919 239 H TRP 33 H TRP 33 -9.297 2.849 -6.933 240 HA TRP 33 HA TRP 33 -11.848 2.992 -5.466 241 1HB TRP 33 2HB TRP 33 -11.181 0.629 -7.119 242 2HB TRP 33 1HB TRP 33 -12.585 1.691 -7.197 243 HD1 TRP 33 HD TRP 33 -8.798 1.977 -7.980 244 HE1 TRP 33 1HE TRP 33 -8.537 3.356 -10.143 245 HE3 TRP 33 3HE TRP 33 -13.698 3.039 -8.945 246 HZ2 TRP 33 2HZ TRP 33 -10.189 4.728 -12.033 247 HZ3 TRP 33 3HZ TRP 33 -14.326 4.381 -10.931 248 HH2 TRP 33 HH TRP 33 -12.580 5.226 -12.475 249 H VAL 34 H VAL 34 -12.646 1.098 -4.217 250 HA VAL 34 HA VAL 34 -10.404 -0.412 -2.915 251 HB VAL 34 HB VAL 34 -11.712 1.381 -1.632 252 1HG1 VAL 34 1HG1 VAL 34 -13.954 0.891 -0.953 253 2HG1 VAL 34 2HG1 VAL 34 -13.870 -0.741 -1.618 254 3HG1 VAL 34 3HG1 VAL 34 -13.912 0.652 -2.699 255 1HG2 VAL 34 1HG2 VAL 34 -11.262 -1.455 -0.847 256 2HG2 VAL 34 2HG2 VAL 34 -12.259 -0.489 0.240 257 3HG2 VAL 34 3HG2 VAL 34 -10.614 0.023 -0.137 258 H ASN 35 H ASN 35 -10.757 -2.658 -2.571 259 HA ASN 35 HA ASN 35 -12.425 -4.053 -4.427 260 1HB ASN 35 2HB ASN 35 -10.548 -5.197 -3.606 261 2HB ASN 35 1HB ASN 35 -10.866 -4.714 -1.939 262 1HD2 ASN 35 1HD2 ASN 35 -12.359 -6.691 -4.565 263 2HD2 ASN 35 2HD2 ASN 35 -13.014 -7.853 -3.514 264 H ALA 36 H ALA 36 -14.637 -3.501 -4.249 265 HA ALA 36 HA ALA 36 -16.234 -2.958 -2.081 266 1HB ALA 36 1HB ALA 36 -17.493 -3.002 -3.981 267 2HB ALA 36 2HB ALA 36 -17.806 -4.682 -3.545 268 3HB ALA 36 3HB ALA 36 -16.527 -4.293 -4.695 269 H THR 37 H THR 37 -14.831 -6.107 -2.876 270 HA THR 37 HA THR 37 -16.444 -7.740 -1.171 271 HB THR 37 HB THR 37 -13.498 -8.022 -1.837 272 HG1 THR 37 1HG THR 37 -15.782 -8.846 -3.301 273 1HG2 THR 37 1HG2 THR 37 -13.855 -10.369 -1.531 274 2HG2 THR 37 2HG2 THR 37 -15.605 -10.155 -1.444 275 3HG2 THR 37 3HG2 THR 37 -14.579 -9.574 -0.133 276 H HIS 38 H HIS 38 -13.300 -6.145 -0.559 277 HA HIS 38 HA HIS 38 -13.052 -6.885 2.189 278 1HB HIS 38 2HB HIS 38 -11.099 -5.884 1.607 279 2HB HIS 38 1HB HIS 38 -11.863 -5.067 0.243 280 HD1 HIS 38 1HD HIS 38 -11.741 -2.598 0.458 281 HD2 HIS 38 2HD HIS 38 -12.058 -4.431 4.188 282 HE1 HIS 38 1HE HIS 38 -11.741 -0.735 2.175 283 H ILE 39 H ILE 39 -14.895 -4.401 0.550 284 HA ILE 39 HA ILE 39 -15.664 -3.044 3.064 285 HB ILE 39 HB ILE 39 -15.951 -2.669 0.107 286 1HG1 ILE 39 2HG1 ILE 39 -15.575 -0.238 1.441 287 2HG1 ILE 39 1HG1 ILE 39 -14.645 -1.405 2.383 288 1HG2 ILE 39 1HG2 ILE 39 -17.592 -0.833 0.510 289 2HG2 ILE 39 2HG2 ILE 39 -17.738 -1.371 2.183 290 3HG2 ILE 39 3HG2 ILE 39 -18.254 -2.427 0.869 291 1HD1 ILE 39 1HD1 ILE 39 -14.426 -1.543 -0.591 292 2HD1 ILE 39 2HD1 ILE 39 -13.209 -1.877 0.641 293 3HD1 ILE 39 3HD1 ILE 39 -13.610 -0.211 0.226 294 H LEU 40 H LEU 40 -17.250 -4.815 0.393 295 HA LEU 40 HA LEU 40 -19.749 -5.066 1.962 296 1HB LEU 40 2HB LEU 40 -18.823 -5.268 -0.822 297 2HB LEU 40 1HB LEU 40 -20.006 -6.503 -0.390 298 HG LEU 40 HG LEU 40 -20.627 -3.771 0.567 299 1HD1 LEU 40 1HD1 LEU 40 -19.654 -3.849 -1.968 300 2HD1 LEU 40 2HD1 LEU 40 -20.923 -2.738 -1.451 301 3HD1 LEU 40 3HD1 LEU 40 -21.346 -4.240 -2.272 302 1HD2 LEU 40 1HD2 LEU 40 -21.952 -6.263 -0.199 303 2HD2 LEU 40 2HD2 LEU 40 -22.750 -4.847 -0.884 304 3HD2 LEU 40 3HD2 LEU 40 -22.523 -4.973 0.860 305 H LYS 41 H LYS 41 -17.373 -7.243 0.388 306 HA LYS 41 HA LYS 41 -18.468 -9.679 1.460 307 1HB LYS 41 2HB LYS 41 -16.808 -9.170 -0.495 308 2HB LYS 41 1HB LYS 41 -15.570 -9.223 0.760 309 1HG LYS 41 2HG LYS 41 -17.408 -11.462 1.007 310 2HG LYS 41 1HG LYS 41 -16.664 -11.421 -0.592 311 1HD LYS 41 2HD LYS 41 -14.763 -10.846 1.563 312 2HD LYS 41 1HD LYS 41 -15.489 -12.449 1.695 313 1HE LYS 41 2HE LYS 41 -14.528 -13.195 -0.271 314 2HE LYS 41 1HE LYS 41 -14.551 -11.583 -1.013 315 1HZ LYS 41 1HZ LYS 41 -12.299 -12.257 -0.327 316 2HZ LYS 41 2HZ LYS 41 -12.831 -10.868 0.494 317 H ALA 42 H ALA 42 -16.267 -7.263 2.716 318 HA ALA 42 HA ALA 42 -15.092 -8.837 4.830 319 1HB ALA 42 1HB ALA 42 -14.292 -6.642 3.864 320 2HB ALA 42 2HB ALA 42 -14.358 -6.662 5.626 321 3HB ALA 42 3HB ALA 42 -15.625 -5.852 4.705 322 H ALA 43 H ALA 43 -18.159 -7.227 4.427 323 HA ALA 43 HA ALA 43 -18.833 -7.838 7.288 324 1HB ALA 43 1HB ALA 43 -19.304 -5.631 7.381 325 2HB ALA 43 2HB ALA 43 -20.613 -5.917 6.233 326 3HB ALA 43 3HB ALA 43 -19.012 -5.457 5.650 327 H ASN 44 H ASN 44 -19.310 -8.969 4.228 328 HA ASN 44 HA ASN 44 -21.917 -10.179 4.982 329 1HB ASN 44 2HB ASN 44 -22.936 -9.421 2.872 330 2HB ASN 44 1HB ASN 44 -22.388 -8.035 3.815 331 1HD2 ASN 44 1HD2 ASN 44 -19.718 -9.727 2.547 332 2HD2 ASN 44 2HD2 ASN 44 -19.436 -8.750 1.189 333 H PHE 45 H PHE 45 -18.932 -10.847 4.191 334 HA PHE 45 HA PHE 45 -17.830 -12.487 2.868 335 1HB PHE 45 2HB PHE 45 -20.062 -13.455 4.362 336 2HB PHE 45 1HB PHE 45 -20.017 -14.347 2.842 337 HD1 PHE 45 1HD PHE 45 -17.247 -14.594 2.156 338 HD2 PHE 45 2HD PHE 45 -19.061 -14.727 6.046 339 HE1 PHE 45 1HE PHE 45 -15.341 -15.938 2.998 340 HE2 PHE 45 2HE PHE 45 -17.156 -16.071 6.889 341 HZ PHE 45 HZ PHE 45 -15.296 -16.677 5.365 342 H ALA 46 H ALA 46 -17.895 -13.656 0.768 343 HA ALA 46 HA ALA 46 -19.608 -12.228 -1.189 344 1HB ALA 46 1HB ALA 46 -17.146 -12.446 -1.467 345 2HB ALA 46 2HB ALA 46 -18.017 -13.213 -2.794 346 3HB ALA 46 3HB ALA 46 -17.319 -14.201 -1.510 347 H LYS 47 H LYS 47 -21.628 -13.253 -0.877 348 HA LYS 47 HA LYS 47 -21.771 -16.070 -1.884 349 1HB LYS 47 2HB LYS 47 -22.531 -14.910 0.680 350 2HB LYS 47 1HB LYS 47 -23.919 -15.649 -0.120 351 1HG LYS 47 2HG LYS 47 -22.514 -17.706 -0.493 352 2HG LYS 47 1HG LYS 47 -21.265 -16.967 0.511 353 1HD LYS 47 2HD LYS 47 -22.364 -17.487 2.412 354 2HD LYS 47 1HD LYS 47 -23.884 -16.848 1.786 355 1HE LYS 47 2HE LYS 47 -24.224 -19.213 2.162 356 2HE LYS 47 1HE LYS 47 -24.067 -19.001 0.407 357 1HZ LYS 47 1HZ LYS 47 -21.843 -19.669 0.448 358 2HZ LYS 47 2HZ LYS 47 -21.713 -19.485 2.131 359 H ALA 48 H ALA 48 -24.547 -16.262 -2.057 360 HA ALA 48 HA ALA 48 -25.209 -14.869 -4.419 361 1HB ALA 48 1HB ALA 48 -26.577 -16.693 -3.771 362 2HB ALA 48 2HB ALA 48 -27.618 -15.299 -3.485 363 3HB ALA 48 3HB ALA 48 -26.784 -16.067 -2.135 364 H LYS 49 H LYS 49 -25.240 -13.850 -1.083 365 HA LYS 49 HA LYS 49 -26.880 -11.490 -1.379 366 1HB LYS 49 2HB LYS 49 -25.038 -12.750 0.569 367 2HB LYS 49 1HB LYS 49 -25.153 -10.994 0.693 368 1HG LYS 49 2HG LYS 49 -27.794 -11.780 0.357 369 2HG LYS 49 1HG LYS 49 -27.126 -13.039 1.396 370 1HD LYS 49 2HD LYS 49 -26.695 -11.579 3.128 371 2HD LYS 49 1HD LYS 49 -26.431 -10.210 2.047 372 1HE LYS 49 2HE LYS 49 -28.815 -10.855 3.473 373 2HE LYS 49 1HE LYS 49 -28.586 -9.552 2.290 374 1HZ LYS 49 1HZ LYS 49 -29.181 -10.937 0.531 375 2HZ LYS 49 2HZ LYS 49 -30.304 -11.342 1.739 376 H ARG 50 H ARG 50 -23.317 -11.989 -1.304 377 HA ARG 50 HA ARG 50 -22.590 -9.289 -1.873 378 1HB ARG 50 2HB ARG 50 -21.376 -12.017 -2.065 379 2HB ARG 50 1HB ARG 50 -20.533 -10.687 -2.859 380 1HG ARG 50 2HG ARG 50 -19.784 -11.041 -0.498 381 2HG ARG 50 1HG ARG 50 -20.453 -9.432 -0.774 382 1HD ARG 50 2HD ARG 50 -22.176 -11.708 0.238 383 2HD ARG 50 1HD ARG 50 -21.281 -10.642 1.339 384 HE ARG 50 HE ARG 50 -22.619 -8.987 -0.534 385 1HH1 ARG 50 1HH1 ARG 50 -23.290 -11.238 1.989 386 1HH2 ARG 50 1HH2 ARG 50 -24.571 -8.000 0.036 387 2HH2 ARG 50 2HH2 ARG 50 -25.514 -8.659 1.332 388 H THR 51 H THR 51 -23.748 -11.885 -3.928 389 HA THR 51 HA THR 51 -22.829 -10.839 -6.455 390 HB THR 51 HB THR 51 -24.690 -12.878 -5.384 391 HG1 THR 51 1HG THR 51 -22.829 -12.663 -7.501 392 1HG2 THR 51 1HG2 THR 51 -25.147 -12.608 -8.236 393 2HG2 THR 51 2HG2 THR 51 -25.684 -11.167 -7.372 394 3HG2 THR 51 3HG2 THR 51 -26.322 -12.750 -6.928 395 H ARG 52 H ARG 52 -25.728 -10.344 -4.475 396 HA ARG 52 HA ARG 52 -26.920 -8.529 -6.494 397 1HB ARG 52 2HB ARG 52 -27.699 -9.719 -3.832 398 2HB ARG 52 1HB ARG 52 -28.638 -8.397 -4.526 399 1HG ARG 52 2HG ARG 52 -29.759 -10.171 -5.480 400 2HG ARG 52 1HG ARG 52 -28.504 -9.948 -6.700 401 1HD ARG 52 2HD ARG 52 -27.779 -12.056 -6.310 402 2HD ARG 52 1HD ARG 52 -27.430 -11.613 -4.627 403 HE ARG 52 HE ARG 52 -29.923 -12.876 -5.596 404 1HH1 ARG 52 1HH1 ARG 52 -28.159 -11.249 -3.121 405 1HH2 ARG 52 1HH2 ARG 52 -31.295 -13.578 -3.943 406 2HH2 ARG 52 2HH2 ARG 52 -30.978 -13.098 -2.310 407 H ILE 53 H ILE 53 -26.393 -8.210 -2.974 408 HA ILE 53 HA ILE 53 -26.444 -5.440 -2.735 409 HB ILE 53 HB ILE 53 -25.180 -7.727 -1.355 410 1HG1 ILE 53 2HG1 ILE 53 -26.701 -7.148 0.225 411 2HG1 ILE 53 1HG1 ILE 53 -26.198 -5.457 0.202 412 1HG2 ILE 53 1HG2 ILE 53 -23.450 -5.692 -1.731 413 2HG2 ILE 53 2HG2 ILE 53 -23.492 -6.639 -0.243 414 3HG2 ILE 53 3HG2 ILE 53 -24.308 -5.077 -0.318 415 1HD1 ILE 53 1HD1 ILE 53 -27.499 -5.098 -1.867 416 2HD1 ILE 53 2HD1 ILE 53 -28.531 -5.683 -0.563 417 3HD1 ILE 53 3HD1 ILE 53 -28.009 -6.786 -1.836 418 H LEU 54 H LEU 54 -23.572 -7.431 -3.547 419 HA LEU 54 HA LEU 54 -21.787 -5.187 -3.920 420 1HB LEU 54 2HB LEU 54 -21.720 -7.968 -5.142 421 2HB LEU 54 1HB LEU 54 -20.340 -6.902 -4.878 422 HG LEU 54 HG LEU 54 -21.670 -8.702 -3.004 423 1HD1 LEU 54 1HD1 LEU 54 -19.347 -7.374 -1.969 424 2HD1 LEU 54 2HD1 LEU 54 -19.074 -7.742 -3.673 425 3HD1 LEU 54 3HD1 LEU 54 -19.494 -9.034 -2.547 426 1HD2 LEU 54 1HD2 LEU 54 -22.196 -7.299 -1.275 427 2HD2 LEU 54 2HD2 LEU 54 -22.413 -6.117 -2.565 428 3HD2 LEU 54 3HD2 LEU 54 -20.897 -6.172 -1.666 429 H GLU 55 H GLU 55 -23.351 -7.347 -6.288 430 HA GLU 55 HA GLU 55 -22.702 -5.995 -8.659 431 1HB GLU 55 2HB GLU 55 -24.057 -8.190 -8.072 432 2HB GLU 55 1HB GLU 55 -25.448 -7.121 -8.249 433 1HG GLU 55 2HG GLU 55 -25.299 -7.310 -10.483 434 2HG GLU 55 1HG GLU 55 -23.686 -6.596 -10.425 435 H LYS 56 H LYS 56 -25.555 -5.438 -6.556 436 HA LYS 56 HA LYS 56 -26.532 -3.199 -8.131 437 1HB LYS 56 2HB LYS 56 -27.966 -4.576 -6.689 438 2HB LYS 56 1HB LYS 56 -27.020 -4.114 -5.274 439 1HG LYS 56 2HG LYS 56 -28.002 -1.824 -6.835 440 2HG LYS 56 1HG LYS 56 -29.288 -2.813 -6.141 441 1HD LYS 56 2HD LYS 56 -28.241 -2.635 -3.920 442 2HD LYS 56 1HD LYS 56 -26.936 -1.667 -4.605 443 1HE LYS 56 2HE LYS 56 -28.462 -0.068 -3.698 444 2HE LYS 56 1HE LYS 56 -28.821 -0.080 -5.436 445 1HZ LYS 56 1HZ LYS 56 -30.364 -2.046 -4.754 446 2HZ LYS 56 2HZ LYS 56 -30.317 -1.309 -3.224 447 H GLU 57 H GLU 57 -24.546 -3.552 -5.215 448 HA GLU 57 HA GLU 57 -24.299 -0.707 -4.691 449 1HB GLU 57 2HB GLU 57 -23.332 -3.283 -3.679 450 2HB GLU 57 1HB GLU 57 -22.108 -2.018 -3.576 451 1HG GLU 57 2HG GLU 57 -24.232 -0.627 -2.678 452 2HG GLU 57 1HG GLU 57 -24.722 -2.243 -2.172 453 H VAL 58 H VAL 58 -22.074 -3.136 -6.106 454 HA VAL 58 HA VAL 58 -20.201 -1.069 -7.003 455 HB VAL 58 HB VAL 58 -18.841 -2.875 -7.024 456 1HG1 VAL 58 1HG1 VAL 58 -20.962 -3.504 -5.405 457 2HG1 VAL 58 2HG1 VAL 58 -19.492 -4.469 -5.539 458 3HG1 VAL 58 3HG1 VAL 58 -20.919 -4.897 -6.485 459 1HG2 VAL 58 1HG2 VAL 58 -19.936 -3.256 -9.360 460 2HG2 VAL 58 2HG2 VAL 58 -20.816 -4.556 -8.557 461 3HG2 VAL 58 3HG2 VAL 58 -19.054 -4.592 -8.620 462 H LEU 59 H LEU 59 -22.383 -3.424 -8.614 463 HA LEU 59 HA LEU 59 -21.957 -2.921 -11.289 464 1HB LEU 59 2HB LEU 59 -23.697 -4.404 -10.264 465 2HB LEU 59 1HB LEU 59 -24.668 -2.971 -9.920 466 HG LEU 59 HG LEU 59 -25.283 -4.181 -12.062 467 1HD1 LEU 59 1HD1 LEU 59 -25.400 -1.566 -11.464 468 2HD1 LEU 59 2HD1 LEU 59 -25.908 -2.187 -13.036 469 3HD1 LEU 59 3HD1 LEU 59 -24.308 -1.471 -12.845 470 1HD2 LEU 59 1HD2 LEU 59 -23.123 -2.925 -13.571 471 2HD2 LEU 59 2HD2 LEU 59 -23.718 -4.583 -13.645 472 3HD2 LEU 59 3HD2 LEU 59 -22.514 -4.132 -12.438 473 H LYS 60 H LYS 60 -23.914 -0.869 -9.106 474 HA LYS 60 HA LYS 60 -24.460 1.150 -11.119 475 1HB LYS 60 2HB LYS 60 -25.052 0.535 -8.353 476 2HB LYS 60 1HB LYS 60 -24.599 2.233 -8.502 477 1HG LYS 60 2HG LYS 60 -27.104 1.488 -8.895 478 2HG LYS 60 1HG LYS 60 -26.375 2.724 -9.921 479 1HD LYS 60 2HD LYS 60 -25.993 -0.099 -10.776 480 2HD LYS 60 1HD LYS 60 -27.622 0.557 -10.931 481 1HE LYS 60 2HE LYS 60 -25.633 0.907 -12.802 482 2HE LYS 60 1HE LYS 60 -27.012 2.007 -12.603 483 1HZ LYS 60 1HZ LYS 60 -25.622 3.568 -11.893 484 2HZ LYS 60 2HZ LYS 60 -25.149 2.575 -10.600 485 H GLU 61 H GLU 61 -21.713 0.278 -9.352 486 HA GLU 61 HA GLU 61 -20.503 3.012 -9.609 487 1HB GLU 61 2HB GLU 61 -19.826 0.600 -7.891 488 2HB GLU 61 1HB GLU 61 -18.912 2.109 -7.892 489 1HG GLU 61 2HG GLU 61 -21.258 1.494 -6.401 490 2HG GLU 61 1HG GLU 61 -20.377 3.021 -6.451 491 H THR 62 H THR 62 -17.806 1.860 -9.331 492 HA THR 62 HA THR 62 -17.495 0.838 -12.124 493 HB THR 62 HB THR 62 -15.863 2.462 -10.194 494 HG1 THR 62 1HG THR 62 -17.276 3.248 -11.963 495 1HG2 THR 62 1HG2 THR 62 -14.323 1.857 -12.533 496 2HG2 THR 62 2HG2 THR 62 -14.786 0.344 -11.757 497 3HG2 THR 62 3HG2 THR 62 -13.908 1.569 -10.843 498 H HIS 63 H HIS 63 -18.297 -1.114 -10.286 499 HA HIS 63 HA HIS 63 -16.127 -2.463 -8.957 500 1HB HIS 63 2HB HIS 63 -17.772 -4.100 -8.545 501 2HB HIS 63 1HB HIS 63 -18.729 -2.635 -8.764 502 HD1 HIS 63 1HD HIS 63 -17.557 -5.674 -10.726 503 HD2 HIS 63 2HD HIS 63 -20.515 -2.741 -10.900 504 HE1 HIS 63 1HE HIS 63 -19.105 -6.328 -12.621 505 H GLU 64 H GLU 64 -14.657 -3.954 -9.772 506 HA GLU 64 HA GLU 64 -15.089 -5.083 -12.495 507 1HB GLU 64 2HB GLU 64 -13.075 -3.066 -11.610 508 2HB GLU 64 1HB GLU 64 -12.522 -4.315 -12.727 509 1HG GLU 64 2HG GLU 64 -14.936 -2.531 -13.171 510 2HG GLU 64 1HG GLU 64 -13.360 -2.313 -13.934 511 H LYS 65 H LYS 65 -13.633 -6.905 -12.921 512 HA LYS 65 HA LYS 65 -12.708 -8.230 -10.414 513 1HB LYS 65 2HB LYS 65 -12.641 -10.206 -12.085 514 2HB LYS 65 1HB LYS 65 -14.229 -9.546 -11.690 515 1HG LYS 65 2HG LYS 65 -13.243 -7.992 -13.837 516 2HG LYS 65 1HG LYS 65 -12.918 -9.674 -14.256 517 1HD LYS 65 2HD LYS 65 -15.095 -10.021 -14.704 518 2HD LYS 65 1HD LYS 65 -15.539 -9.480 -13.085 519 1HE LYS 65 2HE LYS 65 -16.448 -7.624 -14.014 520 2HE LYS 65 1HE LYS 65 -14.826 -7.149 -14.558 521 1HZ LYS 65 1HZ LYS 65 -15.543 -7.556 -16.616 522 2HZ LYS 65 2HZ LYS 65 -16.968 -8.298 -16.066 523 H VAL 66 H VAL 66 -10.533 -7.966 -10.002 524 HA VAL 66 HA VAL 66 -8.682 -7.351 -12.233 525 HB VAL 66 HB VAL 66 -8.044 -7.618 -9.294 526 1HG1 VAL 66 1HG1 VAL 66 -6.789 -6.503 -11.707 527 2HG1 VAL 66 2HG1 VAL 66 -6.053 -6.985 -10.179 528 3HG1 VAL 66 3HG1 VAL 66 -6.792 -5.391 -10.338 529 1HG2 VAL 66 1HG2 VAL 66 -9.389 -5.886 -8.772 530 2HG2 VAL 66 2HG2 VAL 66 -10.061 -5.959 -10.401 531 3HG2 VAL 66 3HG2 VAL 66 -8.681 -4.913 -10.061 532 H GLN 67 H GLN 67 -7.360 -8.892 -13.107 533 HA GLN 67 HA GLN 67 -6.679 -11.312 -11.500 534 1HB GLN 67 2HB GLN 67 -7.184 -12.162 -14.149 535 2HB GLN 67 1HB GLN 67 -8.162 -12.505 -12.721 536 1HG GLN 67 2HG GLN 67 -8.763 -9.844 -13.478 537 2HG GLN 67 1HG GLN 67 -8.786 -10.801 -14.959 538 1HE2 GLN 67 1HE2 GLN 67 -10.532 -10.089 -12.054 539 2HE2 GLN 67 2HE2 GLN 67 -11.760 -11.243 -12.257 540 H GLY 68 H GLY 68 -4.944 -12.616 -12.762 541 1HA GLY 68 2HA GLY 68 -2.996 -12.697 -14.118 542 2HA GLY 68 1HA GLY 68 -3.376 -11.079 -14.711 543 H GLY 69 H GLY 69 -3.690 -10.776 -11.482 544 1HA GLY 69 2HA GLY 69 -2.033 -10.469 -9.723 545 2HA GLY 69 1HA GLY 69 -0.784 -10.380 -10.965 546 H PHE 70 H PHE 70 -3.303 -8.628 -12.152 547 HA PHE 70 HA PHE 70 -2.068 -6.074 -11.223 548 1HB PHE 70 2HB PHE 70 -3.990 -6.677 -13.495 549 2HB PHE 70 1HB PHE 70 -3.094 -5.177 -13.254 550 HD1 PHE 70 1HD PHE 70 -0.751 -7.223 -12.090 551 HD2 PHE 70 2HD PHE 70 -2.798 -6.556 -15.807 552 HE1 PHE 70 1HE PHE 70 1.178 -8.176 -13.323 553 HE2 PHE 70 2HE PHE 70 -0.869 -7.509 -17.040 554 HZ PHE 70 HZ PHE 70 1.119 -8.319 -15.798 555 H GLY 71 H GLY 71 -3.266 -6.234 -9.120 556 1HA GLY 71 2HA GLY 71 -4.994 -5.180 -7.859 557 2HA GLY 71 1HA GLY 71 -5.910 -4.956 -9.351 558 H LYS 72 H LYS 72 -4.601 -8.099 -8.807 559 HA LYS 72 HA LYS 72 -7.237 -9.312 -8.795 560 1HB LYS 72 2HB LYS 72 -5.882 -10.965 -9.537 561 2HB LYS 72 1HB LYS 72 -4.460 -10.033 -9.068 562 1HG LYS 72 2HG LYS 72 -6.086 -11.828 -7.243 563 2HG LYS 72 1HG LYS 72 -4.485 -12.190 -7.893 564 1HD LYS 72 2HD LYS 72 -4.750 -9.596 -6.474 565 2HD LYS 72 1HD LYS 72 -4.870 -11.041 -5.468 566 1HE LYS 72 2HE LYS 72 -2.622 -11.287 -5.558 567 2HE LYS 72 1HE LYS 72 -2.702 -11.399 -7.328 568 1HZ LYS 72 1HZ LYS 72 -2.718 -9.033 -7.502 569 2HZ LYS 72 2HZ LYS 72 -2.827 -8.844 -5.818 570 H TYR 73 H TYR 73 -5.291 -7.906 -6.390 571 HA TYR 73 HA TYR 73 -6.172 -9.593 -4.159 572 1HB TYR 73 2HB TYR 73 -4.253 -7.539 -4.725 573 2HB TYR 73 1HB TYR 73 -5.241 -7.000 -3.366 574 HD1 TYR 73 1HD TYR 73 -5.518 -8.519 -1.361 575 HD2 TYR 73 2HD TYR 73 -2.655 -9.285 -4.471 576 HE1 TYR 73 1HE TYR 73 -4.298 -10.069 0.143 577 HE2 TYR 73 2HE TYR 73 -1.435 -10.834 -2.967 578 HH TYR 73 HH TYR 73 -2.673 -12.173 -0.312 579 H GLN 74 H GLN 74 -7.247 -6.720 -5.858 580 HA GLN 74 HA GLN 74 -9.245 -6.072 -3.756 581 1HB GLN 74 2HB GLN 74 -9.119 -4.679 -6.390 582 2HB GLN 74 1HB GLN 74 -9.275 -3.999 -4.771 583 1HG GLN 74 2HG GLN 74 -7.088 -3.394 -5.393 584 2HG GLN 74 1HG GLN 74 -6.841 -4.845 -4.422 585 1HE2 GLN 74 1HE2 GLN 74 -5.374 -6.235 -5.398 586 2HE2 GLN 74 2HE2 GLN 74 -5.209 -6.467 -7.072 587 H GLY 75 H GLY 75 -9.148 -6.975 -7.223 588 1HA GLY 75 2HA GLY 75 -10.729 -8.185 -8.480 589 2HA GLY 75 1HA GLY 75 -11.562 -8.560 -6.968 590 H THR 76 H THR 76 -13.204 -7.168 -6.235 591 HA THR 76 HA THR 76 -14.260 -5.309 -8.317 592 HB THR 76 HB THR 76 -15.703 -6.094 -5.806 593 HG1 THR 76 1HG THR 76 -14.505 -7.890 -7.122 594 1HG2 THR 76 1HG2 THR 76 -17.620 -6.094 -7.313 595 2HG2 THR 76 2HG2 THR 76 -16.558 -5.893 -8.707 596 3HG2 THR 76 3HG2 THR 76 -16.714 -4.595 -7.522 597 H TRP 77 H TRP 77 -12.408 -3.802 -7.520 598 HA TRP 77 HA TRP 77 -12.671 -2.593 -4.884 599 1HB TRP 77 2HB TRP 77 -11.104 -0.894 -6.168 600 2HB TRP 77 1HB TRP 77 -10.518 -2.514 -5.788 601 HD1 TRP 77 HD TRP 77 -13.090 -2.604 -8.441 602 HE1 TRP 77 1HE TRP 77 -11.996 -2.934 -10.751 603 HE3 TRP 77 3HE TRP 77 -8.203 -1.749 -7.232 604 HZ2 TRP 77 2HZ TRP 77 -9.391 -2.849 -11.931 605 HZ3 TRP 77 3HZ TRP 77 -6.437 -1.880 -8.967 606 HH2 TRP 77 HH TRP 77 -7.025 -2.428 -11.312 607 H VAL 78 H VAL 78 -13.190 -0.266 -4.597 608 HA VAL 78 HA VAL 78 -14.983 0.885 -6.689 609 HB VAL 78 HB VAL 78 -16.169 1.402 -4.182 610 1HG1 VAL 78 1HG1 VAL 78 -17.034 -0.837 -6.003 611 2HG1 VAL 78 2HG1 VAL 78 -17.105 0.837 -6.552 612 3HG1 VAL 78 3HG1 VAL 78 -18.031 0.332 -5.138 613 1HG2 VAL 78 1HG2 VAL 78 -14.785 -1.212 -4.284 614 2HG2 VAL 78 2HG2 VAL 78 -16.481 -1.289 -3.805 615 3HG2 VAL 78 3HG2 VAL 78 -15.351 -0.292 -2.890 616 HA PRO 79 HA PRO 79 -13.249 4.789 -5.747 617 1HB PRO 79 2HB PRO 79 -15.903 5.866 -4.963 618 2HB PRO 79 1HB PRO 79 -14.807 6.402 -6.251 619 1HG PRO 79 2HG PRO 79 -17.086 5.063 -6.752 620 2HG PRO 79 1HG PRO 79 -15.644 4.921 -7.769 621 1HD PRO 79 2HD PRO 79 -16.777 2.992 -5.826 622 2HD PRO 79 1HD PRO 79 -15.820 2.699 -7.296 623 H LEU 80 H LEU 80 -12.058 4.723 -3.844 624 HA LEU 80 HA LEU 80 -12.867 3.932 -1.291 625 1HB LEU 80 2HB LEU 80 -10.744 4.591 -0.801 626 2HB LEU 80 1HB LEU 80 -10.627 4.998 -2.514 627 HG LEU 80 HG LEU 80 -11.979 7.129 -1.142 628 1HD1 LEU 80 1HD1 LEU 80 -10.026 5.823 0.475 629 2HD1 LEU 80 2HD1 LEU 80 -10.870 7.337 0.804 630 3HD1 LEU 80 3HD1 LEU 80 -9.334 7.353 -0.064 631 1HD2 LEU 80 1HD2 LEU 80 -9.154 7.294 -2.139 632 2HD2 LEU 80 2HD2 LEU 80 -10.481 8.436 -2.354 633 3HD2 LEU 80 3HD2 LEU 80 -10.443 6.942 -3.291 634 H ASN 81 H ASN 81 -13.404 7.021 -2.903 635 HA ASN 81 HA ASN 81 -14.240 8.508 -0.572 636 1HB ASN 81 2HB ASN 81 -13.813 9.954 -2.285 637 2HB ASN 81 1HB ASN 81 -14.187 8.746 -3.514 638 1HD2 ASN 81 1HD2 ASN 81 -15.177 11.683 -2.903 639 2HD2 ASN 81 2HD2 ASN 81 -16.860 11.547 -3.077 640 H ILE 82 H ILE 82 -15.928 6.474 -2.943 641 HA ILE 82 HA ILE 82 -18.543 7.010 -1.637 642 HB ILE 82 HB ILE 82 -17.682 6.585 -4.234 643 1HG1 ILE 82 2HG1 ILE 82 -20.071 7.157 -2.845 644 2HG1 ILE 82 1HG1 ILE 82 -19.788 7.322 -4.579 645 1HG2 ILE 82 1HG2 ILE 82 -19.374 4.199 -3.825 646 2HG2 ILE 82 2HG2 ILE 82 -17.737 4.057 -3.185 647 3HG2 ILE 82 3HG2 ILE 82 -17.988 4.427 -4.891 648 1HD1 ILE 82 1HD1 ILE 82 -20.471 4.631 -3.422 649 2HD1 ILE 82 2HD1 ILE 82 -20.716 5.229 -5.063 650 3HD1 ILE 82 3HD1 ILE 82 -21.752 5.798 -3.754 651 H ALA 83 H ALA 83 -16.256 4.352 -2.236 652 HA ALA 83 HA ALA 83 -17.795 2.234 -1.097 653 1HB ALA 83 1HB ALA 83 -15.459 2.476 -2.424 654 2HB ALA 83 2HB ALA 83 -15.859 1.041 -1.479 655 3HB ALA 83 3HB ALA 83 -14.830 2.296 -0.785 656 H LYS 84 H LYS 84 -15.158 4.176 0.402 657 HA LYS 84 HA LYS 84 -15.327 3.109 3.004 658 1HB LYS 84 2HB LYS 84 -14.156 5.151 3.624 659 2HB LYS 84 1HB LYS 84 -13.602 4.654 2.025 660 1HG LYS 84 2HG LYS 84 -15.641 6.206 1.256 661 2HG LYS 84 1HG LYS 84 -15.299 6.982 2.803 662 1HD LYS 84 2HD LYS 84 -12.896 6.366 1.215 663 2HD LYS 84 1HD LYS 84 -13.978 7.535 0.458 664 1HE LYS 84 2HE LYS 84 -13.936 8.938 2.467 665 2HE LYS 84 1HE LYS 84 -12.927 7.740 3.304 666 1HZ LYS 84 1HZ LYS 84 -11.360 9.168 2.411 667 2HZ LYS 84 2HZ LYS 84 -12.246 9.433 0.987 668 H GLN 85 H GLN 85 -17.306 5.657 1.482 669 HA GLN 85 HA GLN 85 -18.621 6.453 3.934 670 1HB GLN 85 2HB GLN 85 -20.227 6.956 1.641 671 2HB GLN 85 1HB GLN 85 -19.161 8.085 2.475 672 1HG GLN 85 2HG GLN 85 -17.291 7.465 1.096 673 2HG GLN 85 1HG GLN 85 -18.185 6.114 0.395 674 1HE2 GLN 85 1HE2 GLN 85 -20.520 7.041 -0.486 675 2HE2 GLN 85 2HE2 GLN 85 -20.357 8.390 -1.503 676 H LEU 86 H LEU 86 -19.205 3.987 1.485 677 HA LEU 86 HA LEU 86 -21.906 3.359 2.418 678 1HB LEU 86 2HB LEU 86 -21.146 3.043 0.094 679 2HB LEU 86 1HB LEU 86 -19.933 1.893 0.650 680 HG LEU 86 HG LEU 86 -22.298 1.062 -0.238 681 1HD1 LEU 86 1HD1 LEU 86 -21.459 -0.898 0.488 682 2HD1 LEU 86 2HD1 LEU 86 -21.758 -0.452 2.168 683 3HD1 LEU 86 3HD1 LEU 86 -20.246 0.013 1.387 684 1HD2 LEU 86 1HD2 LEU 86 -22.753 1.787 2.670 685 2HD2 LEU 86 2HD2 LEU 86 -23.772 0.652 1.783 686 3HD2 LEU 86 3HD2 LEU 86 -23.680 2.338 1.274 687 H ALA 87 H ALA 87 -18.714 1.761 2.613 688 HA ALA 87 HA ALA 87 -19.723 -0.243 4.516 689 1HB ALA 87 1HB ALA 87 -16.854 -0.117 4.255 690 2HB ALA 87 2HB ALA 87 -17.595 0.075 2.667 691 3HB ALA 87 3HB ALA 87 -17.958 -1.347 3.643 692 H GLU 88 H GLU 88 -17.075 2.191 4.645 693 HA GLU 88 HA GLU 88 -16.302 2.125 7.250 694 1HB GLU 88 2HB GLU 88 -15.429 4.159 6.734 695 2HB GLU 88 1HB GLU 88 -16.094 3.834 5.140 696 1HG GLU 88 2HG GLU 88 -18.222 4.952 5.863 697 2HG GLU 88 1HG GLU 88 -17.421 5.399 7.370 698 H LYS 89 H LYS 89 -19.487 3.033 6.123 699 HA LYS 89 HA LYS 89 -20.360 4.432 8.498 700 1HB LYS 89 2HB LYS 89 -21.306 3.751 5.931 701 2HB LYS 89 1HB LYS 89 -22.433 2.995 7.057 702 1HG LYS 89 2HG LYS 89 -22.142 5.420 8.239 703 2HG LYS 89 1HG LYS 89 -21.916 5.870 6.548 704 1HD LYS 89 2HD LYS 89 -24.193 5.947 6.514 705 2HD LYS 89 1HD LYS 89 -24.061 4.197 6.347 706 1HE LYS 89 2HE LYS 89 -24.122 5.509 9.074 707 2HE LYS 89 1HE LYS 89 -25.612 5.050 8.225 708 1HZ LYS 89 1HZ LYS 89 -23.361 3.155 8.434 709 2HZ LYS 89 2HZ LYS 89 -24.469 3.303 9.713 710 H PHE 90 H PHE 90 -22.307 1.724 7.648 711 HA PHE 90 HA PHE 90 -21.721 0.462 10.301 712 1HB PHE 90 2HB PHE 90 -24.014 -0.124 10.336 713 2HB PHE 90 1HB PHE 90 -24.013 1.480 9.603 714 HD1 PHE 90 1HD PHE 90 -23.465 -2.061 8.461 715 HD2 PHE 90 2HD PHE 90 -25.383 1.715 7.743 716 HE1 PHE 90 1HE PHE 90 -24.528 -2.989 6.422 717 HE2 PHE 90 2HE PHE 90 -26.446 0.787 5.703 718 HZ PHE 90 HZ PHE 90 -26.019 -1.564 5.042 719 H SER 91 H SER 91 -21.049 0.071 7.066 720 HA SER 91 HA SER 91 -21.584 -2.746 6.702 721 1HB SER 91 2HB SER 91 -19.407 -1.383 5.213 722 2HB SER 91 1HB SER 91 -20.771 -2.312 4.601 723 HG SER 91 HG SER 91 -21.866 -0.527 4.434 724 H VAL 92 H VAL 92 -18.327 -1.306 6.544 725 HA VAL 92 HA VAL 92 -17.357 -3.533 8.303 726 HB VAL 92 HB VAL 92 -15.217 -2.804 6.776 727 1HG1 VAL 92 1HG1 VAL 92 -17.243 -4.648 5.557 728 2HG1 VAL 92 2HG1 VAL 92 -16.564 -5.051 7.134 729 3HG1 VAL 92 3HG1 VAL 92 -15.503 -4.864 5.739 730 1HG2 VAL 92 1HG2 VAL 92 -16.468 -1.146 5.499 731 2HG2 VAL 92 2HG2 VAL 92 -17.722 -2.330 5.132 732 3HG2 VAL 92 3HG2 VAL 92 -16.107 -2.516 4.449 733 H TYR 93 H TYR 93 -18.057 -0.412 8.489 734 HA TYR 93 HA TYR 93 -15.894 1.182 9.115 735 1HB TYR 93 2HB TYR 93 -17.418 2.296 10.657 736 2HB TYR 93 1HB TYR 93 -18.346 1.705 9.278 737 HD1 TYR 93 1HD TYR 93 -18.061 1.698 12.833 738 HD2 TYR 93 2HD TYR 93 -19.393 -0.674 9.509 739 HE1 TYR 93 1HE TYR 93 -19.485 0.359 14.359 740 HE2 TYR 93 2HE TYR 93 -20.817 -2.013 11.035 741 HH TYR 93 HH TYR 93 -20.481 -1.989 14.355 742 H ASP 94 H ASP 94 -17.013 -1.626 10.897 743 HA ASP 94 HA ASP 94 -15.318 -1.064 13.244 744 1HB ASP 94 2HB ASP 94 -17.640 -2.453 12.752 745 2HB ASP 94 1HB ASP 94 -16.456 -3.757 12.837 746 H GLN 95 H GLN 95 -15.490 -3.786 10.908 747 HA GLN 95 HA GLN 95 -13.003 -4.969 11.573 748 1HB GLN 95 2HB GLN 95 -13.871 -5.018 8.746 749 2HB GLN 95 1HB GLN 95 -13.572 -6.359 9.849 750 1HG GLN 95 2HG GLN 95 -16.020 -4.567 9.831 751 2HG GLN 95 1HG GLN 95 -15.959 -6.255 9.321 752 1HE2 GLN 95 1HE2 GLN 95 -17.745 -6.141 11.214 753 2HE2 GLN 95 2HE2 GLN 95 -17.157 -6.519 12.760 754 H LEU 96 H LEU 96 -13.745 -2.496 9.094 755 HA LEU 96 HA LEU 96 -10.933 -2.297 8.278 756 1HB LEU 96 2HB LEU 96 -12.894 -0.188 7.572 757 2HB LEU 96 1HB LEU 96 -11.843 -1.141 6.522 758 HG LEU 96 HG LEU 96 -14.425 -2.068 7.812 759 1HD1 LEU 96 1HD1 LEU 96 -13.618 -1.113 5.107 760 2HD1 LEU 96 2HD1 LEU 96 -15.163 -0.951 5.942 761 3HD1 LEU 96 3HD1 LEU 96 -14.733 -2.478 5.171 762 1HD2 LEU 96 1HD2 LEU 96 -14.026 -4.213 6.841 763 2HD2 LEU 96 2HD2 LEU 96 -12.518 -3.777 7.645 764 3HD2 LEU 96 3HD2 LEU 96 -12.664 -3.611 5.896 765 H LYS 97 H LYS 97 -11.622 -1.699 11.140 766 HA LYS 97 HA LYS 97 -11.696 1.057 11.742 767 1HB LYS 97 2HB LYS 97 -11.294 -1.417 13.034 768 2HB LYS 97 1HB LYS 97 -9.901 -0.426 13.473 769 1HG LYS 97 2HG LYS 97 -11.180 0.711 14.929 770 2HG LYS 97 1HG LYS 97 -12.207 1.242 13.597 771 1HD LYS 97 2HD LYS 97 -13.671 -0.613 13.841 772 2HD LYS 97 1HD LYS 97 -12.526 -1.481 14.866 773 1HE LYS 97 2HE LYS 97 -14.625 0.102 15.785 774 2HE LYS 97 1HE LYS 97 -13.212 -0.381 16.745 775 1HZ LYS 97 1HZ LYS 97 -12.546 1.724 16.740 776 2HZ LYS 97 2HZ LYS 97 -13.864 2.183 15.774 777 HA PRO 98 HA PRO 98 -6.863 1.061 11.689 778 1HB PRO 98 2HB PRO 98 -6.198 -1.396 10.194 779 2HB PRO 98 1HB PRO 98 -5.525 -0.797 11.720 780 1HG PRO 98 2HG PRO 98 -7.165 -2.933 11.583 781 2HG PRO 98 1HG PRO 98 -7.090 -1.858 12.986 782 1HD PRO 98 2HD PRO 98 -9.160 -2.049 10.863 783 2HD PRO 98 1HD PRO 98 -9.328 -1.626 12.582 784 H LEU 99 H LEU 99 -7.861 -0.910 8.857 785 HA LEU 99 HA LEU 99 -6.494 0.490 6.850 786 1HB LEU 99 2HB LEU 99 -7.553 -1.469 6.176 787 2HB LEU 99 1HB LEU 99 -9.037 -1.085 7.049 788 HG LEU 99 HG LEU 99 -8.060 0.150 4.462 789 1HD1 LEU 99 1HD1 LEU 99 -9.288 -1.584 3.664 790 2HD1 LEU 99 2HD1 LEU 99 -10.688 -0.644 4.180 791 3HD1 LEU 99 3HD1 LEU 99 -10.028 -1.894 5.235 792 1HD2 LEU 99 1HD2 LEU 99 -10.457 1.280 4.786 793 2HD2 LEU 99 2HD2 LEU 99 -9.001 2.021 5.450 794 3HD2 LEU 99 3HD2 LEU 99 -10.059 1.068 6.491 795 H PHE 100 H PHE 100 -9.627 1.270 8.349 796 HA PHE 100 HA PHE 100 -10.221 3.488 6.573 797 1HB PHE 100 2HB PHE 100 -11.283 2.176 8.999 798 2HB PHE 100 1HB PHE 100 -11.658 3.896 8.875 799 HD1 PHE 100 1HD PHE 100 -11.473 3.801 5.720 800 HD2 PHE 100 2HD PHE 100 -13.649 1.547 8.658 801 HE1 PHE 100 1HE PHE 100 -13.224 3.300 4.038 802 HE2 PHE 100 2HE PHE 100 -15.400 1.045 6.976 803 HZ PHE 100 HZ PHE 100 -15.188 1.922 4.665 804 H ASP 101 H ASP 101 -8.357 3.103 9.516 805 HA ASP 101 HA ASP 101 -8.281 5.953 10.172 806 1HB ASP 101 2HB ASP 101 -7.083 3.380 11.115 807 2HB ASP 101 1HB ASP 101 -6.276 4.877 11.585 808 H PHE 102 H PHE 102 -6.447 3.768 8.147 809 HA PHE 102 HA PHE 102 -4.353 4.079 7.037 810 1HB PHE 102 2HB PHE 102 -6.450 5.522 6.099 811 2HB PHE 102 1HB PHE 102 -5.305 6.826 6.419 812 HD1 PHE 102 1HD PHE 102 -2.717 5.837 5.810 813 HD2 PHE 102 2HD PHE 102 -6.427 4.930 3.845 814 HE1 PHE 102 1HE PHE 102 -1.480 5.264 3.739 815 HE2 PHE 102 2HE PHE 102 -5.190 4.355 1.774 816 HZ PHE 102 HZ PHE 102 -2.716 4.523 1.720 817 H THR 103 H THR 103 -2.295 5.140 7.156 818 HA THR 103 HA THR 103 -1.787 6.552 9.672 819 HB THR 103 HB THR 103 0.559 6.591 8.357 820 HG1 THR 103 1HG THR 103 0.585 5.306 6.679 821 1HG2 THR 103 1HG2 THR 103 0.330 3.890 9.000 822 2HG2 THR 103 2HG2 THR 103 -0.868 4.676 10.029 823 3HG2 THR 103 3HG2 THR 103 0.820 5.182 10.098 824 H GLN 104 H GLN 104 -2.822 8.614 9.462 825 HA GLN 104 HA GLN 104 -2.289 10.290 7.108 826 1HB GLN 104 2HB GLN 104 -4.330 10.932 7.848 827 2HB GLN 104 1HB GLN 104 -4.068 10.170 9.418 828 1HG GLN 104 2HG GLN 104 -2.655 12.739 8.762 829 2HG GLN 104 1HG GLN 104 -4.339 12.778 9.286 830 1HE2 GLN 104 1HE2 GLN 104 -2.519 10.119 10.547 831 2HE2 GLN 104 2HE2 GLN 104 -2.264 10.751 12.101 832 H THR 105 H THR 105 -0.683 11.769 6.960 833 HA THR 105 HA THR 105 1.010 12.308 9.365 834 HB THR 105 HB THR 105 1.988 13.087 6.706 835 HG1 THR 105 1HG THR 105 2.282 10.782 6.196 836 1HG2 THR 105 1HG2 THR 105 3.933 12.605 7.731 837 2HG2 THR 105 2HG2 THR 105 3.401 10.960 8.083 838 3HG2 THR 105 3HG2 THR 105 3.000 12.274 9.190 839 H ASP 106 H ASP 106 1.899 14.544 9.505 840 HA ASP 106 HA ASP 106 0.192 16.639 9.760 841 1HB ASP 106 2HB ASP 106 2.562 17.606 8.437 842 2HB ASP 106 1HB ASP 106 2.180 17.624 10.160 843 H GLY 107 H GLY 107 -0.425 15.068 7.213 844 1HA GLY 107 2HA GLY 107 -1.761 15.922 5.382 845 2HA GLY 107 1HA GLY 107 -0.879 17.446 5.490 846 H SER 108 H SER 108 1.470 15.220 5.817 847 HA SER 108 HA SER 108 2.239 15.416 2.962 848 1HB SER 108 2HB SER 108 4.380 15.157 3.796 849 2HB SER 108 1HB SER 108 3.598 15.713 5.274 850 HG SER 108 HG SER 108 4.800 13.398 4.820 851 H ALA 109 H ALA 109 1.033 13.842 1.833 852 HA ALA 109 HA ALA 109 0.395 11.237 2.883 853 1HB ALA 109 1HB ALA 109 0.318 12.686 0.268 854 2HB ALA 109 2HB ALA 109 -0.999 11.934 1.170 855 3HB ALA 109 3HB ALA 109 0.118 10.934 0.243 856 H SER 110 H SER 110 1.946 9.726 3.320 857 HA SER 110 HA SER 110 4.232 9.444 1.395 858 1HB SER 110 2HB SER 110 5.563 9.512 3.224 859 2HB SER 110 1HB SER 110 4.139 9.919 4.177 860 HG SER 110 HG SER 110 5.291 7.389 3.660 861 HA PRO 111 HA PRO 111 1.773 5.580 1.159 862 1HB PRO 111 2HB PRO 111 2.149 5.211 -1.529 863 2HB PRO 111 1HB PRO 111 0.851 6.219 -0.861 864 1HG PRO 111 2HG PRO 111 3.427 7.024 -2.085 865 2HG PRO 111 1HG PRO 111 1.851 7.826 -2.132 866 1HD PRO 111 2HD PRO 111 3.961 8.587 -0.525 867 2HD PRO 111 1HD PRO 111 2.257 8.992 -0.224 868 HA PRO 112 HA PRO 112 5.888 3.682 1.249 869 1HB PRO 112 2HB PRO 112 5.310 1.901 3.229 870 2HB PRO 112 1HB PRO 112 5.731 3.592 3.560 871 1HG PRO 112 2HG PRO 112 3.089 2.258 3.612 872 2HG PRO 112 1HG PRO 112 3.697 3.605 4.583 873 1HD PRO 112 2HD PRO 112 1.988 3.816 2.390 874 2HD PRO 112 1HD PRO 112 2.920 5.144 3.115 875 HA PRO 113 HA PRO 113 4.459 0.404 -1.408 876 1HB PRO 113 2HB PRO 113 7.252 -0.393 -1.666 877 2HB PRO 113 1HB PRO 113 6.197 0.352 -2.879 878 1HG PRO 113 2HG PRO 113 8.315 1.614 -1.713 879 2HG PRO 113 1HG PRO 113 6.912 2.445 -2.398 880 1HD PRO 113 2HD PRO 113 7.588 1.918 0.450 881 2HD PRO 113 1HD PRO 113 6.743 3.301 -0.282 882 H ALA 114 H ALA 114 4.052 -1.797 -1.041 883 HA ALA 114 HA ALA 114 4.105 -3.025 1.401 884 1HB ALA 114 1HB ALA 114 3.711 -4.994 0.206 885 2HB ALA 114 2HB ALA 114 4.946 -4.626 -0.998 886 3HB ALA 114 3HB ALA 114 3.397 -3.782 -1.037 887 HA PRO 115 HA PRO 115 8.077 -4.117 2.874 888 1HB PRO 115 2HB PRO 115 7.594 -7.004 2.324 889 2HB PRO 115 1HB PRO 115 8.014 -6.203 3.850 890 1HG PRO 115 2HG PRO 115 5.540 -7.114 3.334 891 2HG PRO 115 1HG PRO 115 5.848 -5.691 4.339 892 1HD PRO 115 2HD PRO 115 4.757 -5.854 1.597 893 2HD PRO 115 1HD PRO 115 4.523 -4.607 2.841 894 H LYS 116 H LYS 116 10.108 -4.204 1.907 895 HA LYS 116 HA LYS 116 10.739 -3.996 -0.691 896 1HB LYS 116 2HB LYS 116 12.006 -5.339 1.628 897 2HB LYS 116 1HB LYS 116 12.706 -5.731 0.056 898 1HG LYS 116 2HG LYS 116 13.498 -3.611 -0.272 899 2HG LYS 116 1HG LYS 116 12.122 -2.861 0.536 900 1HD LYS 116 2HD LYS 116 14.616 -4.027 1.749 901 2HD LYS 116 1HD LYS 116 13.864 -2.460 2.051 902 1HE LYS 116 2HE LYS 116 11.844 -3.953 2.915 903 2HE LYS 116 1HE LYS 116 13.132 -5.151 3.153 904 1HZ LYS 116 1HZ LYS 116 12.587 -2.920 4.732 905 2HZ LYS 116 2HZ LYS 116 13.884 -4.006 4.883 906 H HIS 117 H HIS 117 10.338 -5.129 -2.545 907 HA HIS 117 HA HIS 117 9.451 -7.971 -2.320 908 1HB HIS 117 2HB HIS 117 9.216 -6.822 -4.947 909 2HB HIS 117 1HB HIS 117 7.925 -7.266 -3.829 910 HD1 HIS 117 1HD HIS 117 6.864 -5.399 -2.421 911 HD2 HIS 117 2HD HIS 117 10.034 -4.066 -4.778 912 HE1 HIS 117 1HE HIS 117 6.816 -2.869 -2.322 913 H HIS 118 H HIS 118 10.401 -9.563 -3.750 914 HA HIS 118 HA HIS 118 13.180 -9.617 -4.015 915 1HB HIS 118 2HB HIS 118 11.899 -11.604 -4.301 916 2HB HIS 118 1HB HIS 118 10.922 -10.881 -5.579 917 HD1 HIS 118 1HD HIS 118 11.661 -12.857 -7.180 918 HD2 HIS 118 2HD HIS 118 14.772 -10.394 -5.903 919 HE1 HIS 118 1HE HIS 118 13.635 -13.360 -8.684 920 H HIS 119 H HIS 119 14.499 -8.267 -5.157 921 HA HIS 119 HA HIS 119 13.428 -6.898 -7.584 922 1HB HIS 119 2HB HIS 119 15.734 -5.660 -7.116 923 2HB HIS 119 1HB HIS 119 14.313 -5.308 -6.132 924 HD1 HIS 119 1HD HIS 119 17.478 -7.400 -6.073 925 HD2 HIS 119 2HD HIS 119 14.564 -6.011 -3.436 926 HE1 HIS 119 1HE HIS 119 18.284 -7.980 -3.743 927 H ALA 120 H ALA 120 14.181 -7.493 -9.586 928 HA ALA 120 HA ALA 120 16.075 -9.703 -9.845 929 1HB ALA 120 1HB ALA 120 14.424 -9.762 -11.465 930 2HB ALA 120 2HB ALA 120 15.653 -8.866 -12.357 931 3HB ALA 120 3HB ALA 120 14.328 -8.005 -11.575 932 H SER 121 H SER 121 18.172 -9.567 -10.802 933 HA SER 121 HA SER 121 19.423 -6.862 -10.633 934 1HB SER 121 2HB SER 121 20.123 -9.589 -9.955 935 2HB SER 121 1HB SER 121 21.345 -8.895 -11.015 936 HG SER 121 HG SER 121 20.332 -7.788 -8.600 937 H LYS 122 H LYS 122 18.907 -6.020 -12.718 938 HA LYS 122 HA LYS 122 19.885 -7.599 -15.069 939 1HB LYS 122 2HB LYS 122 17.501 -6.213 -14.479 940 2HB LYS 122 1HB LYS 122 18.345 -5.215 -15.664 941 1HG LYS 122 2HG LYS 122 18.731 -7.637 -16.785 942 2HG LYS 122 1HG LYS 122 17.204 -7.945 -15.957 943 1HD LYS 122 2HD LYS 122 16.440 -5.688 -17.004 944 2HD LYS 122 1HD LYS 122 17.804 -5.914 -18.099 945 1HE LYS 122 2HE LYS 122 16.820 -7.703 -19.170 946 2HE LYS 122 1HE LYS 122 15.997 -8.260 -17.699 947 1HZ LYS 122 1HZ LYS 122 15.149 -5.647 -18.387 948 2HZ LYS 122 2HZ LYS 122 14.921 -6.689 -19.710 949 H VAL 123 H VAL 123 21.488 -6.702 -16.376 950 HA VAL 123 HA VAL 123 23.157 -4.602 -15.315 951 HB VAL 123 HB VAL 123 24.561 -5.318 -16.982 952 1HG1 VAL 123 1HG1 VAL 123 23.194 -7.337 -15.981 953 2HG1 VAL 123 2HG1 VAL 123 24.273 -7.602 -17.351 954 3HG1 VAL 123 3HG1 VAL 123 22.536 -7.443 -17.615 955 1HG2 VAL 123 1HG2 VAL 123 23.513 -5.958 -19.301 956 2HG2 VAL 123 2HG2 VAL 123 23.647 -4.255 -18.860 957 3HG2 VAL 123 3HG2 VAL 123 22.101 -5.089 -18.701 958 H ASP 124 H ASP 124 22.370 -2.513 -15.255 959 HA ASP 124 HA ASP 124 20.354 -1.376 -16.866 960 1HB ASP 124 2HB ASP 124 22.461 -0.544 -15.014 961 2HB ASP 124 1HB ASP 124 22.110 0.690 -16.224 Start of MODEL 19 1 H SER 2 H SER 2 -10.311 -4.159 6.374 2 HA SER 2 HA SER 2 -7.539 -4.390 5.385 3 1HB SER 2 2HB SER 2 -9.683 -2.560 5.240 4 2HB SER 2 1HB SER 2 -8.421 -1.739 6.154 5 HG SER 2 HG SER 2 -7.464 -3.138 4.014 6 H ASN 3 H ASN 3 -6.105 -4.986 7.007 7 HA ASN 3 HA ASN 3 -6.413 -3.833 9.728 8 1HB ASN 3 2HB ASN 3 -5.804 -6.311 8.828 9 2HB ASN 3 1HB ASN 3 -4.176 -5.651 8.990 10 1HD2 ASN 3 1HD2 ASN 3 -5.266 -7.746 10.712 11 2HD2 ASN 3 2HD2 ASN 3 -5.335 -7.115 12.286 12 H GLN 4 H GLN 4 -3.868 -4.139 7.217 13 HA GLN 4 HA GLN 4 -2.508 -1.765 8.445 14 1HB GLN 4 2HB GLN 4 -1.558 -4.177 6.882 15 2HB GLN 4 1HB GLN 4 -0.523 -2.777 7.168 16 1HG GLN 4 2HG GLN 4 0.030 -3.767 9.124 17 2HG GLN 4 1HG GLN 4 -1.578 -3.305 9.679 18 1HE2 GLN 4 1HE2 GLN 4 0.221 -5.991 8.132 19 2HE2 GLN 4 2HE2 GLN 4 -0.865 -7.204 8.610 20 H ILE 5 H ILE 5 -1.065 -0.691 6.572 21 HA ILE 5 HA ILE 5 -2.843 -0.310 4.183 22 HB ILE 5 HB ILE 5 -1.550 1.525 6.128 23 1HG1 ILE 5 2HG1 ILE 5 -3.909 1.869 4.251 24 2HG1 ILE 5 1HG1 ILE 5 -4.027 1.158 5.861 25 1HG2 ILE 5 1HG2 ILE 5 -1.846 2.333 3.224 26 2HG2 ILE 5 2HG2 ILE 5 -0.303 1.886 3.950 27 3HG2 ILE 5 3HG2 ILE 5 -1.180 3.298 4.541 28 1HD1 ILE 5 1HD1 ILE 5 -3.995 3.936 5.139 29 2HD1 ILE 5 2HD1 ILE 5 -2.574 3.590 6.124 30 3HD1 ILE 5 3HD1 ILE 5 -4.186 3.222 6.740 31 H TYR 6 H TYR 6 -1.818 -0.690 2.248 32 HA TYR 6 HA TYR 6 1.128 -0.341 2.054 33 1HB TYR 6 2HB TYR 6 -0.418 -2.867 2.085 34 2HB TYR 6 1HB TYR 6 0.787 -2.743 0.804 35 HD1 TYR 6 1HD TYR 6 3.124 -2.859 1.278 36 HD2 TYR 6 2HD TYR 6 0.283 -2.533 4.484 37 HE1 TYR 6 1HE TYR 6 4.922 -3.333 2.920 38 HE2 TYR 6 2HE TYR 6 2.081 -3.007 6.126 39 HH TYR 6 HH TYR 6 5.256 -2.750 5.498 40 H SER 7 H SER 7 1.836 -0.145 -0.169 41 HA SER 7 HA SER 7 -0.400 0.349 -2.109 42 1HB SER 7 2HB SER 7 1.843 1.916 -1.146 43 2HB SER 7 1HB SER 7 1.918 1.738 -2.897 44 HG SER 7 HG SER 7 -0.582 2.262 -1.824 45 H ALA 8 H ALA 8 -0.093 -0.398 -4.245 46 HA ALA 8 HA ALA 8 2.392 -1.963 -4.815 47 1HB ALA 8 1HB ALA 8 1.216 -3.912 -4.993 48 2HB ALA 8 2HB ALA 8 -0.153 -3.116 -5.769 49 3HB ALA 8 3HB ALA 8 0.009 -3.078 -4.014 50 H ARG 9 H ARG 9 2.999 -1.880 -7.013 51 HA ARG 9 HA ARG 9 1.274 -0.170 -8.776 52 1HB ARG 9 2HB ARG 9 3.853 0.210 -7.839 53 2HB ARG 9 1HB ARG 9 4.117 -0.459 -9.450 54 1HG ARG 9 2HG ARG 9 1.981 1.489 -9.523 55 2HG ARG 9 1HG ARG 9 3.429 2.201 -8.809 56 1HD ARG 9 2HD ARG 9 3.344 0.708 -11.458 57 2HD ARG 9 1HD ARG 9 3.464 2.469 -11.269 58 HE ARG 9 HE ARG 9 5.565 0.513 -10.472 59 1HH1 ARG 9 1HH1 ARG 9 4.369 3.725 -10.846 60 1HH2 ARG 9 1HH2 ARG 9 7.597 1.466 -10.205 61 2HH2 ARG 9 2HH2 ARG 9 7.747 3.189 -10.279 62 H TYR 10 H TYR 10 0.205 -1.636 -10.099 63 HA TYR 10 HA TYR 10 1.908 -3.450 -11.741 64 1HB TYR 10 2HB TYR 10 -0.665 -4.386 -10.469 65 2HB TYR 10 1HB TYR 10 0.639 -5.361 -11.147 66 HD1 TYR 10 1HD TYR 10 -0.808 -4.545 -8.153 67 HD2 TYR 10 2HD TYR 10 3.063 -4.558 -10.014 68 HE1 TYR 10 1HE TYR 10 0.265 -4.670 -5.921 69 HE2 TYR 10 2HE TYR 10 4.137 -4.682 -7.781 70 HH TYR 10 HH TYR 10 2.876 -5.673 -5.191 71 H SER 11 H SER 11 0.608 -4.325 -13.622 72 HA SER 11 HA SER 11 -0.768 -3.941 -15.498 73 1HB SER 11 2HB SER 11 -2.911 -4.073 -14.782 74 2HB SER 11 1HB SER 11 -2.270 -3.929 -13.147 75 HG SER 11 HG SER 11 -2.953 -1.933 -13.066 76 H GLY 12 H GLY 12 1.209 -1.831 -14.767 77 1HA GLY 12 2HA GLY 12 1.756 0.275 -15.647 78 2HA GLY 12 1HA GLY 12 0.235 0.234 -16.537 79 H VAL 13 H VAL 13 -0.716 -0.348 -13.477 80 HA VAL 13 HA VAL 13 -0.859 2.560 -12.750 81 HB VAL 13 HB VAL 13 -3.018 0.456 -12.984 82 1HG1 VAL 13 1HG1 VAL 13 -3.227 3.151 -11.605 83 2HG1 VAL 13 2HG1 VAL 13 -3.209 1.594 -10.777 84 3HG1 VAL 13 3HG1 VAL 13 -4.543 2.004 -11.856 85 1HG2 VAL 13 1HG2 VAL 13 -2.525 1.814 -14.978 86 2HG2 VAL 13 2HG2 VAL 13 -2.717 3.290 -14.031 87 3HG2 VAL 13 3HG2 VAL 13 -4.106 2.241 -14.322 88 H ASP 14 H ASP 14 -0.642 2.962 -10.534 89 HA ASP 14 HA ASP 14 0.310 0.761 -8.858 90 1HB ASP 14 2HB ASP 14 1.349 2.957 -8.787 91 2HB ASP 14 1HB ASP 14 -0.199 3.719 -8.418 92 H VAL 15 H VAL 15 -0.653 0.289 -6.734 93 HA VAL 15 HA VAL 15 -3.497 1.070 -6.365 94 HB VAL 15 HB VAL 15 -3.431 -1.694 -5.916 95 1HG1 VAL 15 1HG1 VAL 15 -4.879 0.181 -7.398 96 2HG1 VAL 15 2HG1 VAL 15 -5.264 -1.531 -7.226 97 3HG1 VAL 15 3HG1 VAL 15 -4.310 -0.975 -8.601 98 1HG2 VAL 15 1HG2 VAL 15 -1.791 -0.894 -8.331 99 2HG2 VAL 15 2HG2 VAL 15 -2.586 -2.464 -8.207 100 3HG2 VAL 15 3HG2 VAL 15 -1.344 -2.009 -7.040 101 H TYR 16 H TYR 16 -4.261 -0.140 -4.214 102 HA TYR 16 HA TYR 16 -2.049 0.178 -2.218 103 1HB TYR 16 2HB TYR 16 -5.061 0.516 -2.057 104 2HB TYR 16 1HB TYR 16 -3.972 0.681 -0.680 105 HD1 TYR 16 1HD TYR 16 -4.684 2.029 -4.087 106 HD2 TYR 16 2HD TYR 16 -2.802 2.694 -0.284 107 HE1 TYR 16 1HE TYR 16 -4.212 4.377 -4.731 108 HE2 TYR 16 2HE TYR 16 -2.329 5.041 -0.928 109 HH TYR 16 HH TYR 16 -2.027 6.298 -3.197 110 H GLU 17 H GLU 17 -1.927 -1.427 -0.515 111 HA GLU 17 HA GLU 17 -3.589 -3.880 -0.961 112 1HB GLU 17 2HB GLU 17 -1.339 -5.066 -0.410 113 2HB GLU 17 1HB GLU 17 -1.540 -4.375 -2.020 114 1HG GLU 17 2HG GLU 17 -0.083 -2.629 -1.607 115 2HG GLU 17 1HG GLU 17 -0.419 -2.621 0.125 116 H PHE 18 H PHE 18 -4.795 -3.844 0.937 117 HA PHE 18 HA PHE 18 -3.247 -3.783 3.505 118 1HB PHE 18 2HB PHE 18 -6.013 -2.892 3.712 119 2HB PHE 18 1HB PHE 18 -4.540 -2.066 4.218 120 HD1 PHE 18 1HD PHE 18 -6.981 -2.516 1.510 121 HD2 PHE 18 2HD PHE 18 -3.346 -0.560 2.694 122 HE1 PHE 18 1HE PHE 18 -7.192 -0.965 -0.412 123 HE2 PHE 18 2HE PHE 18 -3.556 0.991 0.771 124 HZ PHE 18 HZ PHE 18 -5.479 0.789 -0.781 125 H ILE 19 H ILE 19 -3.997 -5.272 5.090 126 HA ILE 19 HA ILE 19 -5.504 -7.567 4.049 127 HB ILE 19 HB ILE 19 -4.798 -7.266 6.932 128 1HG1 ILE 19 2HG1 ILE 19 -2.932 -6.078 5.971 129 2HG1 ILE 19 1HG1 ILE 19 -2.374 -7.712 6.332 130 1HG2 ILE 19 1HG2 ILE 19 -5.521 -9.423 6.209 131 2HG2 ILE 19 2HG2 ILE 19 -3.769 -9.543 6.379 132 3HG2 ILE 19 3HG2 ILE 19 -4.491 -9.368 4.779 133 1HD1 ILE 19 1HD1 ILE 19 -1.608 -7.532 4.161 134 2HD1 ILE 19 2HD1 ILE 19 -2.898 -6.427 3.687 135 3HD1 ILE 19 3HD1 ILE 19 -3.228 -8.153 3.840 136 H HIS 20 H HIS 20 -7.673 -7.822 4.269 137 HA HIS 20 HA HIS 20 -9.085 -6.516 6.545 138 1HB HIS 20 2HB HIS 20 -9.098 -4.983 4.585 139 2HB HIS 20 1HB HIS 20 -9.822 -6.260 3.608 140 HD1 HIS 20 1HD HIS 20 -11.186 -6.552 6.907 141 HD2 HIS 20 2HD HIS 20 -11.981 -4.090 3.638 142 HE1 HIS 20 1HE HIS 20 -13.499 -5.593 7.279 143 H SER 21 H SER 21 -11.614 -7.205 4.944 144 HA SER 21 HA SER 21 -12.129 -9.777 6.080 145 1HB SER 21 2HB SER 21 -13.582 -8.820 3.650 146 2HB SER 21 1HB SER 21 -14.230 -9.429 5.170 147 HG SER 21 HG SER 21 -12.965 -6.918 4.751 148 H THR 22 H THR 22 -11.160 -8.775 2.800 149 HA THR 22 HA THR 22 -10.998 -11.615 1.933 150 HB THR 22 HB THR 22 -11.757 -9.221 0.750 151 HG1 THR 22 1HG THR 22 -11.124 -11.794 -0.095 152 1HG2 THR 22 1HG2 THR 22 -9.451 -8.478 0.532 153 2HG2 THR 22 2HG2 THR 22 -10.067 -8.902 -1.064 154 3HG2 THR 22 3HG2 THR 22 -8.994 -10.011 -0.210 155 H GLY 23 H GLY 23 -9.091 -9.962 3.822 156 1HA GLY 23 2HA GLY 23 -6.793 -10.504 4.285 157 2HA GLY 23 1HA GLY 23 -6.610 -11.041 2.612 158 H SER 24 H SER 24 -5.374 -9.674 1.410 159 HA SER 24 HA SER 24 -4.790 -6.964 2.320 160 1HB SER 24 2HB SER 24 -4.162 -8.416 -0.270 161 2HB SER 24 1HB SER 24 -3.354 -6.969 0.327 162 HG SER 24 HG SER 24 -3.273 -9.613 1.287 163 H ILE 25 H ILE 25 -5.712 -5.075 1.580 164 HA ILE 25 HA ILE 25 -7.791 -5.310 -0.573 165 HB ILE 25 HB ILE 25 -7.570 -3.638 1.943 166 1HG1 ILE 25 2HG1 ILE 25 -9.351 -4.901 2.729 167 2HG1 ILE 25 1HG1 ILE 25 -9.961 -5.239 1.109 168 1HG2 ILE 25 1HG2 ILE 25 -9.223 -3.252 -0.531 169 2HG2 ILE 25 2HG2 ILE 25 -8.480 -2.043 0.515 170 3HG2 ILE 25 3HG2 ILE 25 -9.943 -2.878 1.035 171 1HD1 ILE 25 1HD1 ILE 25 -8.524 -7.013 0.784 172 2HD1 ILE 25 2HD1 ILE 25 -8.682 -7.102 2.539 173 3HD1 ILE 25 3HD1 ILE 25 -7.273 -6.324 1.819 174 H MET 26 H MET 26 -7.324 -4.125 -2.386 175 HA MET 26 HA MET 26 -5.372 -1.862 -2.112 176 1HB MET 26 2HB MET 26 -5.809 -3.682 -4.497 177 2HB MET 26 1HB MET 26 -4.480 -2.549 -4.250 178 1HG MET 26 2HG MET 26 -4.468 -4.184 -1.969 179 2HG MET 26 1HG MET 26 -4.745 -5.286 -3.319 180 1HE MET 26 1HE MET 26 -2.571 -3.042 -5.598 181 2HE MET 26 2HE MET 26 -3.905 -4.190 -5.518 182 3HE MET 26 3HE MET 26 -2.265 -4.774 -5.792 183 H LYS 27 H LYS 27 -6.153 0.084 -2.769 184 HA LYS 27 HA LYS 27 -8.723 0.148 -4.292 185 1HB LYS 27 2HB LYS 27 -8.150 2.701 -3.398 186 2HB LYS 27 1HB LYS 27 -9.132 1.526 -2.524 187 1HG LYS 27 2HG LYS 27 -6.797 0.655 -1.667 188 2HG LYS 27 1HG LYS 27 -6.258 2.278 -2.102 189 1HD LYS 27 2HD LYS 27 -8.173 3.187 -0.730 190 2HD LYS 27 1HD LYS 27 -8.470 1.542 -0.168 191 1HE LYS 27 2HE LYS 27 -6.401 1.432 0.981 192 2HE LYS 27 1HE LYS 27 -5.734 2.809 0.082 193 1HZ LYS 27 1HZ LYS 27 -7.672 4.109 1.039 194 2HZ LYS 27 2HZ LYS 27 -7.872 2.823 2.130 195 H ARG 28 H ARG 28 -8.892 1.834 -6.002 196 HA ARG 28 HA ARG 28 -6.509 1.886 -7.702 197 1HB ARG 28 2HB ARG 28 -9.381 2.313 -7.860 198 2HB ARG 28 1HB ARG 28 -8.508 3.578 -8.727 199 1HG ARG 28 2HG ARG 28 -7.531 2.077 -10.214 200 2HG ARG 28 1HG ARG 28 -7.684 0.718 -9.099 201 1HD ARG 28 2HD ARG 28 -10.221 0.932 -9.395 202 2HD ARG 28 1HD ARG 28 -9.864 2.008 -10.759 203 HE ARG 28 HE ARG 28 -9.481 -0.865 -10.748 204 1HH1 ARG 28 1HH1 ARG 28 -8.225 2.159 -11.827 205 1HH2 ARG 28 1HH2 ARG 28 -8.469 -1.757 -12.562 206 2HH2 ARG 28 2HH2 ARG 28 -7.582 -0.728 -13.637 207 H LYS 29 H LYS 29 -4.944 3.434 -7.489 208 HA LYS 29 HA LYS 29 -5.111 5.697 -5.763 209 1HB LYS 29 2HB LYS 29 -3.007 4.737 -6.425 210 2HB LYS 29 1HB LYS 29 -3.366 4.991 -8.134 211 1HG LYS 29 2HG LYS 29 -3.613 7.499 -6.762 212 2HG LYS 29 1HG LYS 29 -2.060 6.777 -6.344 213 1HD LYS 29 2HD LYS 29 -1.761 6.335 -8.851 214 2HD LYS 29 1HD LYS 29 -3.125 7.425 -9.095 215 1HE LYS 29 2HE LYS 29 -1.501 9.046 -9.129 216 2HE LYS 29 1HE LYS 29 -1.567 8.886 -7.363 217 1HZ LYS 29 1HZ LYS 29 0.448 7.985 -7.368 218 2HZ LYS 29 2HZ LYS 29 -0.058 6.769 -8.441 219 H LYS 30 H LYS 30 -5.523 5.441 -9.304 220 HA LYS 30 HA LYS 30 -5.767 8.080 -10.088 221 1HB LYS 30 2HB LYS 30 -7.384 5.615 -10.778 222 2HB LYS 30 1HB LYS 30 -7.552 7.129 -11.668 223 1HG LYS 30 2HG LYS 30 -5.558 6.870 -12.726 224 2HG LYS 30 1HG LYS 30 -4.762 6.266 -11.273 225 1HD LYS 30 2HD LYS 30 -5.788 4.064 -11.593 226 2HD LYS 30 1HD LYS 30 -6.658 4.657 -13.008 227 1HE LYS 30 2HE LYS 30 -3.694 4.172 -12.692 228 2HE LYS 30 1HE LYS 30 -4.778 3.634 -13.991 229 1HZ LYS 30 1HZ LYS 30 -3.884 6.406 -13.414 230 2HZ LYS 30 2HZ LYS 30 -3.598 5.499 -14.823 231 H ASP 31 H ASP 31 -8.572 6.138 -8.955 232 HA ASP 31 HA ASP 31 -9.866 8.712 -8.117 233 1HB ASP 31 2HB ASP 31 -10.664 6.609 -9.828 234 2HB ASP 31 1HB ASP 31 -11.644 6.441 -8.370 235 H ASP 32 H ASP 32 -8.096 6.465 -6.705 236 HA ASP 32 HA ASP 32 -7.994 5.585 -4.513 237 1HB ASP 32 2HB ASP 32 -10.212 7.635 -4.191 238 2HB ASP 32 1HB ASP 32 -9.307 6.903 -2.866 239 H TRP 33 H TRP 33 -9.491 4.036 -6.319 240 HA TRP 33 HA TRP 33 -12.141 3.415 -5.312 241 1HB TRP 33 2HB TRP 33 -10.312 1.644 -6.943 242 2HB TRP 33 1HB TRP 33 -12.072 1.731 -7.000 243 HD1 TRP 33 HD TRP 33 -9.097 4.150 -7.591 244 HE1 TRP 33 1HE TRP 33 -9.689 5.662 -9.591 245 HE3 TRP 33 3HE TRP 33 -13.790 2.431 -8.643 246 HZ2 TRP 33 2HZ TRP 33 -11.862 6.088 -11.400 247 HZ3 TRP 33 3HZ TRP 33 -15.095 3.406 -10.509 248 HH2 TRP 33 HH TRP 33 -14.138 5.230 -11.888 249 H VAL 34 H VAL 34 -12.714 1.370 -4.239 250 HA VAL 34 HA VAL 34 -10.460 0.133 -2.696 251 HB VAL 34 HB VAL 34 -13.239 0.648 -1.623 252 1HG1 VAL 34 1HG1 VAL 34 -11.720 0.748 0.513 253 2HG1 VAL 34 2HG1 VAL 34 -10.542 -0.077 -0.508 254 3HG1 VAL 34 3HG1 VAL 34 -12.109 -0.821 -0.193 255 1HG2 VAL 34 1HG2 VAL 34 -12.172 2.680 -0.524 256 2HG2 VAL 34 2HG2 VAL 34 -12.453 2.831 -2.259 257 3HG2 VAL 34 3HG2 VAL 34 -10.831 2.488 -1.654 258 H ASN 35 H ASN 35 -10.672 -2.121 -2.370 259 HA ASN 35 HA ASN 35 -12.177 -3.641 -4.260 260 1HB ASN 35 2HB ASN 35 -10.198 -4.538 -3.264 261 2HB ASN 35 1HB ASN 35 -10.805 -4.254 -1.632 262 1HD2 ASN 35 1HD2 ASN 35 -13.149 -5.444 -3.902 263 2HD2 ASN 35 2HD2 ASN 35 -13.174 -7.050 -3.353 264 H ALA 36 H ALA 36 -14.425 -3.235 -4.182 265 HA ALA 36 HA ALA 36 -16.172 -2.751 -2.140 266 1HB ALA 36 1HB ALA 36 -17.723 -4.364 -3.459 267 2HB ALA 36 2HB ALA 36 -16.323 -4.630 -4.498 268 3HB ALA 36 3HB ALA 36 -17.008 -3.014 -4.340 269 H THR 37 H THR 37 -14.366 -5.734 -2.589 270 HA THR 37 HA THR 37 -15.902 -7.486 -0.943 271 HB THR 37 HB THR 37 -12.888 -7.348 -1.271 272 HG1 THR 37 1HG THR 37 -13.276 -8.621 -3.114 273 1HG2 THR 37 1HG2 THR 37 -12.845 -9.373 -0.285 274 2HG2 THR 37 2HG2 THR 37 -14.164 -9.961 -1.297 275 3HG2 THR 37 3HG2 THR 37 -14.518 -9.084 0.191 276 H HIS 38 H HIS 38 -13.182 -5.314 -0.123 277 HA HIS 38 HA HIS 38 -13.163 -5.897 2.697 278 1HB HIS 38 2HB HIS 38 -11.297 -4.661 2.356 279 2HB HIS 38 1HB HIS 38 -11.888 -4.161 0.772 280 HD1 HIS 38 1HD HIS 38 -11.581 -1.668 0.789 281 HD2 HIS 38 2HD HIS 38 -13.379 -3.038 4.291 282 HE1 HIS 38 1HE HIS 38 -12.239 0.391 2.108 283 H ILE 39 H ILE 39 -15.059 -3.770 0.660 284 HA ILE 39 HA ILE 39 -16.277 -2.353 2.955 285 HB ILE 39 HB ILE 39 -16.233 -2.205 -0.034 286 1HG1 ILE 39 2HG1 ILE 39 -16.337 0.332 1.159 287 2HG1 ILE 39 1HG1 ILE 39 -15.382 -0.651 2.271 288 1HG2 ILE 39 1HG2 ILE 39 -18.576 -1.591 1.667 289 2HG2 ILE 39 2HG2 ILE 39 -18.493 -1.914 -0.065 290 3HG2 ILE 39 3HG2 ILE 39 -18.100 -0.310 0.552 291 1HD1 ILE 39 1HD1 ILE 39 -14.222 0.551 0.217 292 2HD1 ILE 39 2HD1 ILE 39 -14.824 -0.852 -0.665 293 3HD1 ILE 39 3HD1 ILE 39 -13.727 -1.071 0.699 294 H LEU 40 H LEU 40 -17.373 -4.404 0.235 295 HA LEU 40 HA LEU 40 -19.963 -4.896 1.586 296 1HB LEU 40 2HB LEU 40 -19.104 -4.607 -1.026 297 2HB LEU 40 1HB LEU 40 -19.298 -6.355 -0.882 298 HG LEU 40 HG LEU 40 -21.572 -6.216 -0.542 299 1HD1 LEU 40 1HD1 LEU 40 -20.787 -3.855 1.028 300 2HD1 LEU 40 2HD1 LEU 40 -22.067 -5.030 1.330 301 3HD1 LEU 40 3HD1 LEU 40 -22.346 -3.684 0.223 302 1HD2 LEU 40 1HD2 LEU 40 -22.086 -3.700 -1.706 303 2HD2 LEU 40 2HD2 LEU 40 -21.981 -5.251 -2.540 304 3HD2 LEU 40 3HD2 LEU 40 -20.549 -4.231 -2.390 305 H LYS 41 H LYS 41 -17.241 -6.845 0.293 306 HA LYS 41 HA LYS 41 -18.154 -9.349 1.392 307 1HB LYS 41 2HB LYS 41 -15.652 -8.186 0.222 308 2HB LYS 41 1HB LYS 41 -15.533 -9.737 1.056 309 1HG LYS 41 2HG LYS 41 -16.292 -10.729 -0.817 310 2HG LYS 41 1HG LYS 41 -17.837 -9.919 -0.557 311 1HD LYS 41 2HD LYS 41 -17.262 -8.109 -1.960 312 2HD LYS 41 1HD LYS 41 -15.542 -8.496 -1.898 313 1HE LYS 41 2HE LYS 41 -16.463 -10.808 -2.960 314 2HE LYS 41 1HE LYS 41 -17.678 -9.681 -3.596 315 1HZ LYS 41 1HZ LYS 41 -15.837 -9.650 -5.085 316 2HZ LYS 41 2HZ LYS 41 -15.795 -8.194 -4.211 317 H ALA 42 H ALA 42 -16.324 -6.660 2.674 318 HA ALA 42 HA ALA 42 -15.111 -7.989 4.923 319 1HB ALA 42 1HB ALA 42 -16.011 -5.117 4.498 320 2HB ALA 42 2HB ALA 42 -14.445 -5.782 4.028 321 3HB ALA 42 3HB ALA 42 -14.873 -5.652 5.734 322 H ALA 43 H ALA 43 -18.330 -6.834 4.257 323 HA ALA 43 HA ALA 43 -19.131 -7.519 7.069 324 1HB ALA 43 1HB ALA 43 -19.318 -5.161 6.809 325 2HB ALA 43 2HB ALA 43 -20.957 -5.764 6.565 326 3HB ALA 43 3HB ALA 43 -19.967 -5.316 5.176 327 H ASN 44 H ASN 44 -19.241 -8.708 4.034 328 HA ASN 44 HA ASN 44 -21.837 -10.068 4.532 329 1HB ASN 44 2HB ASN 44 -22.579 -9.485 2.231 330 2HB ASN 44 1HB ASN 44 -22.339 -8.045 3.221 331 1HD2 ASN 44 1HD2 ASN 44 -21.650 -6.545 1.629 332 2HD2 ASN 44 2HD2 ASN 44 -20.280 -6.774 0.653 333 H PHE 45 H PHE 45 -18.731 -10.553 4.126 334 HA PHE 45 HA PHE 45 -17.381 -12.188 3.052 335 1HB PHE 45 2HB PHE 45 -20.070 -13.503 3.531 336 2HB PHE 45 1HB PHE 45 -18.629 -14.407 3.062 337 HD1 PHE 45 1HD PHE 45 -16.473 -13.122 4.515 338 HD2 PHE 45 2HD PHE 45 -20.488 -13.955 5.793 339 HE1 PHE 45 1HE PHE 45 -15.716 -13.147 6.877 340 HE2 PHE 45 2HE PHE 45 -19.732 -13.980 8.154 341 HZ PHE 45 HZ PHE 45 -17.346 -13.575 8.697 342 H ALA 46 H ALA 46 -16.996 -13.266 0.998 343 HA ALA 46 HA ALA 46 -18.622 -12.146 -1.213 344 1HB ALA 46 1HB ALA 46 -15.910 -12.727 -0.712 345 2HB ALA 46 2HB ALA 46 -16.600 -12.151 -2.231 346 3HB ALA 46 3HB ALA 46 -16.409 -13.881 -1.948 347 H LYS 47 H LYS 47 -20.511 -13.437 -1.107 348 HA LYS 47 HA LYS 47 -20.140 -16.270 -2.002 349 1HB LYS 47 2HB LYS 47 -21.029 -15.427 0.485 350 2HB LYS 47 1HB LYS 47 -22.535 -15.684 -0.397 351 1HG LYS 47 2HG LYS 47 -22.267 -17.867 0.163 352 2HG LYS 47 1HG LYS 47 -21.060 -17.892 -1.123 353 1HD LYS 47 2HD LYS 47 -20.089 -18.802 0.931 354 2HD LYS 47 1HD LYS 47 -19.316 -17.267 0.537 355 1HE LYS 47 2HE LYS 47 -21.730 -17.170 2.302 356 2HE LYS 47 1HE LYS 47 -20.207 -17.747 3.009 357 1HZ LYS 47 1HZ LYS 47 -20.828 -15.136 1.816 358 2HZ LYS 47 2HZ LYS 47 -19.928 -15.497 3.211 359 H ALA 48 H ALA 48 -22.820 -16.856 -2.500 360 HA ALA 48 HA ALA 48 -23.358 -15.655 -4.992 361 1HB ALA 48 1HB ALA 48 -24.931 -17.281 -4.824 362 2HB ALA 48 2HB ALA 48 -25.822 -16.279 -3.679 363 3HB ALA 48 3HB ALA 48 -24.610 -17.420 -3.095 364 H LYS 49 H LYS 49 -23.919 -14.519 -1.749 365 HA LYS 49 HA LYS 49 -25.825 -12.431 -2.345 366 1HB LYS 49 2HB LYS 49 -24.281 -13.492 -0.140 367 2HB LYS 49 1HB LYS 49 -24.189 -11.731 -0.139 368 1HG LYS 49 2HG LYS 49 -26.717 -13.403 -0.182 369 2HG LYS 49 1HG LYS 49 -26.133 -12.415 1.158 370 1HD LYS 49 2HD LYS 49 -26.397 -10.386 -0.166 371 2HD LYS 49 1HD LYS 49 -26.863 -11.334 -1.579 372 1HE LYS 49 2HE LYS 49 -28.496 -12.014 0.745 373 2HE LYS 49 1HE LYS 49 -28.622 -10.294 0.323 374 1HZ LYS 49 1HZ LYS 49 -28.514 -11.681 -2.066 375 2HZ LYS 49 2HZ LYS 49 -29.612 -12.540 -1.097 376 H ARG 50 H ARG 50 -22.264 -12.406 -1.842 377 HA ARG 50 HA ARG 50 -21.858 -9.654 -2.483 378 1HB ARG 50 2HB ARG 50 -20.263 -12.180 -2.350 379 2HB ARG 50 1HB ARG 50 -19.518 -10.786 -3.135 380 1HG ARG 50 2HG ARG 50 -19.241 -11.117 -0.538 381 2HG ARG 50 1HG ARG 50 -19.540 -9.504 -1.187 382 1HD ARG 50 2HD ARG 50 -21.126 -9.676 0.563 383 2HD ARG 50 1HD ARG 50 -22.074 -10.132 -0.867 384 HE ARG 50 HE ARG 50 -20.780 -12.466 0.153 385 1HH1 ARG 50 1HH1 ARG 50 -23.251 -10.178 0.892 386 1HH2 ARG 50 1HH2 ARG 50 -21.994 -13.938 1.363 387 2HH2 ARG 50 2HH2 ARG 50 -23.481 -13.424 2.090 388 H THR 51 H THR 51 -22.324 -12.491 -4.502 389 HA THR 51 HA THR 51 -21.261 -11.420 -6.955 390 HB THR 51 HB THR 51 -23.391 -13.495 -6.332 391 HG1 THR 51 1HG THR 51 -21.047 -13.655 -5.666 392 1HG2 THR 51 1HG2 THR 51 -23.679 -13.816 -8.540 393 2HG2 THR 51 2HG2 THR 51 -21.938 -13.851 -8.818 394 3HG2 THR 51 3HG2 THR 51 -22.798 -12.311 -8.804 395 H ARG 52 H ARG 52 -24.423 -11.262 -5.369 396 HA ARG 52 HA ARG 52 -25.585 -9.744 -7.641 397 1HB ARG 52 2HB ARG 52 -26.618 -11.612 -6.047 398 2HB ARG 52 1HB ARG 52 -26.942 -10.223 -5.009 399 1HG ARG 52 2HG ARG 52 -28.741 -10.927 -6.772 400 2HG ARG 52 1HG ARG 52 -28.360 -9.215 -6.579 401 1HD ARG 52 2HD ARG 52 -28.420 -10.064 -8.997 402 2HD ARG 52 1HD ARG 52 -26.920 -9.242 -8.525 403 HE ARG 52 HE ARG 52 -25.969 -11.538 -8.078 404 1HH1 ARG 52 1HH1 ARG 52 -28.779 -11.118 -10.029 405 1HH2 ARG 52 1HH2 ARG 52 -25.679 -13.486 -9.186 406 2HH2 ARG 52 2HH2 ARG 52 -26.815 -13.950 -10.408 407 H ILE 53 H ILE 53 -25.564 -9.254 -4.098 408 HA ILE 53 HA ILE 53 -26.105 -6.530 -3.987 409 HB ILE 53 HB ILE 53 -24.072 -8.084 -2.351 410 1HG1 ILE 53 2HG1 ILE 53 -26.815 -8.585 -2.757 411 2HG1 ILE 53 1HG1 ILE 53 -25.794 -9.259 -1.487 412 1HG2 ILE 53 1HG2 ILE 53 -24.196 -6.419 -0.763 413 2HG2 ILE 53 2HG2 ILE 53 -25.838 -5.964 -1.216 414 3HG2 ILE 53 3HG2 ILE 53 -24.474 -5.439 -2.203 415 1HD1 ILE 53 1HD1 ILE 53 -26.270 -7.260 -0.081 416 2HD1 ILE 53 2HD1 ILE 53 -27.733 -8.163 -0.477 417 3HD1 ILE 53 3HD1 ILE 53 -27.361 -6.668 -1.335 418 H LEU 54 H LEU 54 -22.864 -8.022 -4.375 419 HA LEU 54 HA LEU 54 -21.451 -5.510 -4.617 420 1HB LEU 54 2HB LEU 54 -20.676 -7.965 -4.114 421 2HB LEU 54 1HB LEU 54 -20.603 -8.118 -5.870 422 HG LEU 54 HG LEU 54 -19.060 -6.239 -6.015 423 1HD1 LEU 54 1HD1 LEU 54 -19.334 -4.663 -4.403 424 2HD1 LEU 54 2HD1 LEU 54 -18.243 -5.665 -3.445 425 3HD1 LEU 54 3HD1 LEU 54 -19.989 -5.830 -3.254 426 1HD2 LEU 54 1HD2 LEU 54 -17.652 -7.528 -3.826 427 2HD2 LEU 54 2HD2 LEU 54 -17.339 -7.625 -5.558 428 3HD2 LEU 54 3HD2 LEU 54 -18.503 -8.719 -4.811 429 H GLU 55 H GLU 55 -22.263 -7.964 -7.078 430 HA GLU 55 HA GLU 55 -21.567 -6.528 -9.392 431 1HB GLU 55 2HB GLU 55 -23.315 -8.763 -8.614 432 2HB GLU 55 1HB GLU 55 -23.787 -7.978 -10.119 433 1HG GLU 55 2HG GLU 55 -20.996 -8.187 -10.267 434 2HG GLU 55 1HG GLU 55 -21.530 -9.730 -9.600 435 H LYS 56 H LYS 56 -24.735 -6.591 -7.723 436 HA LYS 56 HA LYS 56 -25.933 -4.630 -9.509 437 1HB LYS 56 2HB LYS 56 -27.811 -5.221 -8.349 438 2HB LYS 56 1HB LYS 56 -26.789 -6.496 -7.683 439 1HG LYS 56 2HG LYS 56 -26.193 -5.061 -5.785 440 2HG LYS 56 1HG LYS 56 -27.156 -3.745 -6.459 441 1HD LYS 56 2HD LYS 56 -28.451 -6.412 -5.992 442 2HD LYS 56 1HD LYS 56 -28.199 -5.326 -4.625 443 1HE LYS 56 2HE LYS 56 -29.295 -3.936 -6.964 444 2HE LYS 56 1HE LYS 56 -30.364 -5.216 -6.354 445 1HZ LYS 56 1HZ LYS 56 -29.078 -3.758 -4.254 446 2HZ LYS 56 2HZ LYS 56 -30.035 -2.748 -5.229 447 H GLU 57 H GLU 57 -24.855 -4.499 -6.093 448 HA GLU 57 HA GLU 57 -25.255 -1.729 -5.662 449 1HB GLU 57 2HB GLU 57 -24.427 -3.835 -4.205 450 2HB GLU 57 1HB GLU 57 -22.858 -3.090 -4.511 451 1HG GLU 57 2HG GLU 57 -24.208 -2.339 -2.407 452 2HG GLU 57 1HG GLU 57 -23.440 -1.105 -3.405 453 H VAL 58 H VAL 58 -22.329 -3.438 -6.832 454 HA VAL 58 HA VAL 58 -20.966 -0.887 -7.392 455 HB VAL 58 HB VAL 58 -20.268 -3.530 -6.787 456 1HG1 VAL 58 1HG1 VAL 58 -19.830 -2.868 -9.688 457 2HG1 VAL 58 2HG1 VAL 58 -20.338 -4.393 -8.961 458 3HG1 VAL 58 3HG1 VAL 58 -18.658 -3.871 -8.832 459 1HG2 VAL 58 1HG2 VAL 58 -18.426 -1.414 -7.934 460 2HG2 VAL 58 2HG2 VAL 58 -18.022 -2.667 -6.759 461 3HG2 VAL 58 3HG2 VAL 58 -19.081 -1.334 -6.298 462 H LEU 59 H LEU 59 -22.142 -3.686 -9.315 463 HA LEU 59 HA LEU 59 -21.500 -3.042 -11.890 464 1HB LEU 59 2HB LEU 59 -22.944 -4.897 -11.411 465 2HB LEU 59 1HB LEU 59 -24.176 -3.840 -10.718 466 HG LEU 59 HG LEU 59 -24.622 -4.657 -13.101 467 1HD1 LEU 59 1HD1 LEU 59 -24.575 -1.781 -12.221 468 2HD1 LEU 59 2HD1 LEU 59 -25.959 -2.852 -12.443 469 3HD1 LEU 59 3HD1 LEU 59 -25.125 -2.187 -13.847 470 1HD2 LEU 59 1HD2 LEU 59 -23.261 -4.004 -14.836 471 2HD2 LEU 59 2HD2 LEU 59 -22.044 -3.990 -13.561 472 3HD2 LEU 59 3HD2 LEU 59 -22.821 -2.485 -14.054 473 H LYS 60 H LYS 60 -24.145 -1.492 -10.053 474 HA LYS 60 HA LYS 60 -24.783 0.417 -12.153 475 1HB LYS 60 2HB LYS 60 -25.351 0.831 -9.232 476 2HB LYS 60 1HB LYS 60 -26.402 1.123 -10.618 477 1HG LYS 60 2HG LYS 60 -26.632 -1.301 -10.972 478 2HG LYS 60 1HG LYS 60 -25.563 -1.610 -9.604 479 1HD LYS 60 2HD LYS 60 -27.675 -1.805 -8.617 480 2HD LYS 60 1HD LYS 60 -27.267 -0.122 -8.279 481 1HE LYS 60 2HE LYS 60 -29.622 -0.590 -9.261 482 2HE LYS 60 1HE LYS 60 -28.663 0.674 -10.055 483 1HZ LYS 60 1HZ LYS 60 -27.893 -0.887 -11.668 484 2HZ LYS 60 2HZ LYS 60 -29.588 -1.000 -11.621 485 H GLU 61 H GLU 61 -22.237 0.111 -9.959 486 HA GLU 61 HA GLU 61 -21.656 3.053 -10.002 487 1HB GLU 61 2HB GLU 61 -21.373 0.847 -8.067 488 2HB GLU 61 1HB GLU 61 -19.944 1.874 -8.189 489 1HG GLU 61 2HG GLU 61 -22.544 2.460 -7.001 490 2HG GLU 61 1HG GLU 61 -21.013 3.317 -6.821 491 H THR 62 H THR 62 -18.929 2.928 -9.507 492 HA THR 62 HA THR 62 -17.901 2.000 -12.120 493 HB THR 62 HB THR 62 -16.333 3.381 -9.954 494 HG1 THR 62 1HG THR 62 -17.739 4.918 -9.967 495 1HG2 THR 62 1HG2 THR 62 -15.557 2.631 -12.371 496 2HG2 THR 62 2HG2 THR 62 -15.048 4.185 -11.709 497 3HG2 THR 62 3HG2 THR 62 -16.385 4.112 -12.857 498 H HIS 63 H HIS 63 -18.564 -0.130 -10.312 499 HA HIS 63 HA HIS 63 -16.359 -1.067 -8.747 500 1HB HIS 63 2HB HIS 63 -17.865 -2.716 -8.344 501 2HB HIS 63 1HB HIS 63 -18.963 -1.822 -9.397 502 HD1 HIS 63 1HD HIS 63 -20.020 -3.604 -10.818 503 HD2 HIS 63 2HD HIS 63 -15.885 -4.067 -10.563 504 HE1 HIS 63 1HE HIS 63 -19.411 -5.483 -12.402 505 H GLU 64 H GLU 64 -14.435 -1.981 -9.396 506 HA GLU 64 HA GLU 64 -14.155 -2.722 -12.290 507 1HB GLU 64 2HB GLU 64 -12.260 -1.587 -10.218 508 2HB GLU 64 1HB GLU 64 -11.705 -2.200 -11.776 509 1HG GLU 64 2HG GLU 64 -12.848 -0.533 -12.981 510 2HG GLU 64 1HG GLU 64 -13.923 -0.166 -11.632 511 H LYS 65 H LYS 65 -13.769 -4.870 -12.663 512 HA LYS 65 HA LYS 65 -13.206 -6.669 -10.385 513 1HB LYS 65 2HB LYS 65 -13.864 -8.375 -11.927 514 2HB LYS 65 1HB LYS 65 -14.912 -7.000 -12.280 515 1HG LYS 65 2HG LYS 65 -12.424 -6.826 -13.771 516 2HG LYS 65 1HG LYS 65 -13.260 -8.343 -14.103 517 1HD LYS 65 2HD LYS 65 -15.039 -7.303 -15.101 518 2HD LYS 65 1HD LYS 65 -14.957 -5.908 -14.026 519 1HE LYS 65 2HE LYS 65 -13.221 -4.891 -15.285 520 2HE LYS 65 1HE LYS 65 -12.837 -6.406 -16.128 521 1HZ LYS 65 1HZ LYS 65 -15.199 -4.663 -16.447 522 2HZ LYS 65 2HZ LYS 65 -15.282 -6.310 -16.855 523 H VAL 66 H VAL 66 -11.043 -6.745 -9.834 524 HA VAL 66 HA VAL 66 -8.956 -6.506 -11.919 525 HB VAL 66 HB VAL 66 -8.442 -7.092 -9.026 526 1HG1 VAL 66 1HG1 VAL 66 -6.981 -4.894 -9.804 527 2HG1 VAL 66 2HG1 VAL 66 -7.125 -5.790 -11.315 528 3HG1 VAL 66 3HG1 VAL 66 -6.413 -6.561 -9.899 529 1HG2 VAL 66 1HG2 VAL 66 -8.764 -4.549 -8.681 530 2HG2 VAL 66 2HG2 VAL 66 -10.217 -5.548 -8.735 531 3HG2 VAL 66 3HG2 VAL 66 -9.741 -4.608 -10.148 532 H GLN 67 H GLN 67 -8.388 -8.360 -12.989 533 HA GLN 67 HA GLN 67 -7.986 -10.849 -11.389 534 1HB GLN 67 2HB GLN 67 -9.231 -11.138 -14.070 535 2HB GLN 67 1HB GLN 67 -9.564 -12.018 -12.577 536 1HG GLN 67 2HG GLN 67 -10.300 -9.225 -12.307 537 2HG GLN 67 1HG GLN 67 -11.115 -9.957 -13.690 538 1HE2 GLN 67 1HE2 GLN 67 -12.782 -9.307 -11.613 539 2HE2 GLN 67 2HE2 GLN 67 -13.247 -10.690 -10.745 540 H GLY 68 H GLY 68 -6.720 -12.486 -12.725 541 1HA GLY 68 2HA GLY 68 -5.175 -13.009 -14.493 542 2HA GLY 68 1HA GLY 68 -5.184 -11.311 -14.969 543 H GLY 69 H GLY 69 -4.921 -11.419 -11.653 544 1HA GLY 69 2HA GLY 69 -2.950 -11.709 -10.250 545 2HA GLY 69 1HA GLY 69 -1.950 -11.632 -11.702 546 H PHE 70 H PHE 70 -3.948 -9.281 -12.421 547 HA PHE 70 HA PHE 70 -2.247 -7.199 -11.129 548 1HB PHE 70 2HB PHE 70 -3.936 -7.437 -13.610 549 2HB PHE 70 1HB PHE 70 -3.491 -5.843 -12.999 550 HD1 PHE 70 1HD PHE 70 -2.483 -8.485 -15.100 551 HD2 PHE 70 2HD PHE 70 -0.920 -5.603 -12.324 552 HE1 PHE 70 1HE PHE 70 -0.234 -8.721 -16.121 553 HE2 PHE 70 2HE PHE 70 1.327 -5.839 -13.345 554 HZ PHE 70 HZ PHE 70 1.671 -7.398 -15.243 555 H GLY 71 H GLY 71 -3.284 -6.887 -9.107 556 1HA GLY 71 2HA GLY 71 -4.842 -5.702 -7.766 557 2HA GLY 71 1HA GLY 71 -5.811 -5.405 -9.211 558 H LYS 72 H LYS 72 -4.767 -8.648 -8.547 559 HA LYS 72 HA LYS 72 -7.494 -9.627 -8.478 560 1HB LYS 72 2HB LYS 72 -6.312 -11.463 -9.067 561 2HB LYS 72 1HB LYS 72 -4.811 -10.593 -8.743 562 1HG LYS 72 2HG LYS 72 -6.453 -12.206 -6.773 563 2HG LYS 72 1HG LYS 72 -4.819 -12.554 -7.339 564 1HD LYS 72 2HD LYS 72 -5.749 -10.483 -5.389 565 2HD LYS 72 1HD LYS 72 -4.327 -11.525 -5.325 566 1HE LYS 72 2HE LYS 72 -3.587 -10.134 -7.456 567 2HE LYS 72 1HE LYS 72 -4.700 -8.927 -6.781 568 1HZ LYS 72 1HZ LYS 72 -3.270 -8.490 -5.156 569 2HZ LYS 72 2HZ LYS 72 -3.191 -10.129 -4.715 570 H TYR 73 H TYR 73 -5.615 -8.097 -6.177 571 HA TYR 73 HA TYR 73 -6.548 -9.624 -3.837 572 1HB TYR 73 2HB TYR 73 -4.539 -7.683 -4.520 573 2HB TYR 73 1HB TYR 73 -5.504 -7.043 -3.188 574 HD1 TYR 73 1HD TYR 73 -6.315 -9.564 -1.829 575 HD2 TYR 73 2HD TYR 73 -2.528 -8.364 -3.464 576 HE1 TYR 73 1HE TYR 73 -5.152 -11.084 -0.251 577 HE2 TYR 73 2HE TYR 73 -1.366 -9.884 -1.886 578 HH TYR 73 HH TYR 73 -1.664 -11.613 -0.445 579 H GLN 74 H GLN 74 -7.405 -6.755 -5.693 580 HA GLN 74 HA GLN 74 -9.453 -5.946 -3.694 581 1HB GLN 74 2HB GLN 74 -8.656 -4.762 -6.374 582 2HB GLN 74 1HB GLN 74 -9.623 -3.972 -5.129 583 1HG GLN 74 2HG GLN 74 -7.021 -3.507 -5.303 584 2HG GLN 74 1HG GLN 74 -7.803 -3.644 -3.727 585 1HE2 GLN 74 1HE2 GLN 74 -5.326 -4.960 -5.711 586 2HE2 GLN 74 2HE2 GLN 74 -4.982 -6.328 -4.766 587 H GLY 75 H GLY 75 -9.250 -6.925 -7.133 588 1HA GLY 75 2HA GLY 75 -10.828 -8.083 -8.443 589 2HA GLY 75 1HA GLY 75 -11.760 -8.370 -6.971 590 H THR 76 H THR 76 -13.284 -6.776 -6.299 591 HA THR 76 HA THR 76 -14.124 -4.930 -8.498 592 HB THR 76 HB THR 76 -15.626 -6.068 -6.115 593 HG1 THR 76 1HG THR 76 -14.880 -7.491 -7.911 594 1HG2 THR 76 1HG2 THR 76 -17.546 -5.050 -6.947 595 2HG2 THR 76 2HG2 THR 76 -16.890 -4.916 -8.578 596 3HG2 THR 76 3HG2 THR 76 -16.327 -3.828 -7.310 597 H TRP 77 H TRP 77 -12.343 -3.452 -7.595 598 HA TRP 77 HA TRP 77 -12.695 -2.283 -4.956 599 1HB TRP 77 2HB TRP 77 -11.124 -0.537 -6.304 600 2HB TRP 77 1HB TRP 77 -10.520 -2.058 -5.652 601 HD1 TRP 77 HD TRP 77 -12.836 -2.295 -8.610 602 HE1 TRP 77 1HE TRP 77 -11.499 -3.005 -10.695 603 HE3 TRP 77 3HE TRP 77 -8.082 -1.846 -6.804 604 HZ2 TRP 77 2HZ TRP 77 -8.773 -3.339 -11.494 605 HZ3 TRP 77 3HZ TRP 77 -6.135 -2.365 -8.247 606 HH2 TRP 77 HH TRP 77 -6.474 -3.110 -10.587 607 H VAL 78 H VAL 78 -13.172 0.056 -4.655 608 HA VAL 78 HA VAL 78 -14.892 1.268 -6.769 609 HB VAL 78 HB VAL 78 -16.154 1.737 -4.288 610 1HG1 VAL 78 1HG1 VAL 78 -17.925 0.275 -5.281 611 2HG1 VAL 78 2HG1 VAL 78 -16.780 -0.205 -6.532 612 3HG1 VAL 78 3HG1 VAL 78 -17.308 1.473 -6.420 613 1HG2 VAL 78 1HG2 VAL 78 -15.721 -1.231 -4.613 614 2HG2 VAL 78 2HG2 VAL 78 -16.365 -0.360 -3.221 615 3HG2 VAL 78 3HG2 VAL 78 -14.645 -0.266 -3.603 616 HA PRO 79 HA PRO 79 -13.001 5.074 -5.705 617 1HB PRO 79 2HB PRO 79 -15.677 6.272 -5.221 618 2HB PRO 79 1HB PRO 79 -14.420 6.755 -6.375 619 1HG PRO 79 2HG PRO 79 -16.683 5.511 -7.132 620 2HG PRO 79 1HG PRO 79 -15.143 5.306 -7.979 621 1HD PRO 79 2HD PRO 79 -16.572 3.428 -6.193 622 2HD PRO 79 1HD PRO 79 -15.451 3.094 -7.531 623 H LEU 80 H LEU 80 -12.023 5.114 -3.689 624 HA LEU 80 HA LEU 80 -13.075 4.307 -1.233 625 1HB LEU 80 2HB LEU 80 -10.786 4.695 -1.261 626 2HB LEU 80 1HB LEU 80 -10.951 6.201 -2.167 627 HG LEU 80 HG LEU 80 -10.289 6.461 0.280 628 1HD1 LEU 80 1HD1 LEU 80 -11.608 8.435 0.543 629 2HD1 LEU 80 2HD1 LEU 80 -12.930 7.762 -0.410 630 3HD1 LEU 80 3HD1 LEU 80 -11.419 8.216 -1.197 631 1HD2 LEU 80 1HD2 LEU 80 -13.185 6.039 0.926 632 2HD2 LEU 80 2HD2 LEU 80 -11.775 5.916 1.978 633 3HD2 LEU 80 3HD2 LEU 80 -12.134 4.626 0.831 634 H ASN 81 H ASN 81 -13.496 7.407 -2.881 635 HA ASN 81 HA ASN 81 -14.490 8.967 -0.713 636 1HB ASN 81 2HB ASN 81 -15.662 10.163 -2.664 637 2HB ASN 81 1HB ASN 81 -13.913 9.990 -2.798 638 1HD2 ASN 81 1HD2 ASN 81 -16.291 10.004 -4.862 639 2HD2 ASN 81 2HD2 ASN 81 -15.933 8.673 -5.852 640 H ILE 82 H ILE 82 -15.917 6.389 -2.566 641 HA ILE 82 HA ILE 82 -18.552 6.859 -1.208 642 HB ILE 82 HB ILE 82 -19.436 6.595 -3.273 643 1HG1 ILE 82 2HG1 ILE 82 -18.753 4.448 -4.594 644 2HG1 ILE 82 1HG1 ILE 82 -17.896 4.011 -3.114 645 1HG2 ILE 82 1HG2 ILE 82 -17.734 6.277 -5.209 646 2HG2 ILE 82 2HG2 ILE 82 -16.505 6.396 -3.950 647 3HG2 ILE 82 3HG2 ILE 82 -17.612 7.740 -4.231 648 1HD1 ILE 82 1HD1 ILE 82 -20.194 4.654 -1.972 649 2HD1 ILE 82 2HD1 ILE 82 -19.975 3.061 -2.697 650 3HD1 ILE 82 3HD1 ILE 82 -20.840 4.320 -3.578 651 H ALA 83 H ALA 83 -15.991 4.574 -1.972 652 HA ALA 83 HA ALA 83 -17.244 2.173 -1.036 653 1HB ALA 83 1HB ALA 83 -14.423 3.185 -1.387 654 2HB ALA 83 2HB ALA 83 -15.283 1.974 -2.338 655 3HB ALA 83 3HB ALA 83 -14.721 1.582 -0.713 656 H LYS 84 H LYS 84 -14.828 4.261 0.639 657 HA LYS 84 HA LYS 84 -15.084 3.000 3.182 658 1HB LYS 84 2HB LYS 84 -13.793 4.872 3.926 659 2HB LYS 84 1HB LYS 84 -13.316 4.609 2.248 660 1HG LYS 84 2HG LYS 84 -13.722 6.878 2.156 661 2HG LYS 84 1HG LYS 84 -15.348 6.289 1.805 662 1HD LYS 84 2HD LYS 84 -15.894 7.694 3.534 663 2HD LYS 84 1HD LYS 84 -15.460 6.282 4.498 664 1HE LYS 84 2HE LYS 84 -13.432 7.194 5.173 665 2HE LYS 84 1HE LYS 84 -13.281 8.194 3.714 666 1HZ LYS 84 1HZ LYS 84 -14.141 9.151 6.048 667 2HZ LYS 84 2HZ LYS 84 -14.620 9.787 4.547 668 H GLN 85 H GLN 85 -16.928 5.616 1.658 669 HA GLN 85 HA GLN 85 -18.332 6.430 4.053 670 1HB GLN 85 2HB GLN 85 -18.125 7.904 2.150 671 2HB GLN 85 1HB GLN 85 -18.847 6.702 1.080 672 1HG GLN 85 2HG GLN 85 -20.890 6.851 2.708 673 2HG GLN 85 1HG GLN 85 -20.173 8.391 3.185 674 1HE2 GLN 85 1HE2 GLN 85 -19.156 9.301 0.711 675 2HE2 GLN 85 2HE2 GLN 85 -20.444 9.554 -0.365 676 H LEU 86 H LEU 86 -18.731 3.854 1.748 677 HA LEU 86 HA LEU 86 -21.521 3.288 2.496 678 1HB LEU 86 2HB LEU 86 -20.001 2.863 0.296 679 2HB LEU 86 1HB LEU 86 -19.829 1.300 1.093 680 HG LEU 86 HG LEU 86 -22.403 1.381 1.363 681 1HD1 LEU 86 1HD1 LEU 86 -22.266 3.884 0.528 682 2HD1 LEU 86 2HD1 LEU 86 -23.628 2.868 0.055 683 3HD1 LEU 86 3HD1 LEU 86 -22.296 3.136 -1.069 684 1HD2 LEU 86 1HD2 LEU 86 -20.675 0.532 -0.772 685 2HD2 LEU 86 2HD2 LEU 86 -22.210 1.065 -1.459 686 3HD2 LEU 86 3HD2 LEU 86 -22.185 -0.199 -0.228 687 H ALA 87 H ALA 87 -18.331 1.752 2.944 688 HA ALA 87 HA ALA 87 -19.443 -0.196 4.858 689 1HB ALA 87 1HB ALA 87 -16.692 0.416 3.744 690 2HB ALA 87 2HB ALA 87 -17.754 -0.916 3.292 691 3HB ALA 87 3HB ALA 87 -17.000 -0.891 4.886 692 H GLU 88 H GLU 88 -16.753 2.201 5.020 693 HA GLU 88 HA GLU 88 -16.087 2.267 7.629 694 1HB GLU 88 2HB GLU 88 -15.220 4.276 7.044 695 2HB GLU 88 1HB GLU 88 -15.916 3.942 5.465 696 1HG GLU 88 2HG GLU 88 -17.594 5.464 5.733 697 2HG GLU 88 1HG GLU 88 -17.798 5.078 7.441 698 H LYS 89 H LYS 89 -19.259 3.087 6.397 699 HA LYS 89 HA LYS 89 -20.221 4.529 8.705 700 1HB LYS 89 2HB LYS 89 -21.120 3.592 6.151 701 2HB LYS 89 1HB LYS 89 -22.291 3.073 7.365 702 1HG LYS 89 2HG LYS 89 -21.912 5.588 8.222 703 2HG LYS 89 1HG LYS 89 -21.536 5.828 6.515 704 1HD LYS 89 2HD LYS 89 -24.087 4.672 7.671 705 2HD LYS 89 1HD LYS 89 -23.909 6.203 6.813 706 1HE LYS 89 2HE LYS 89 -24.430 5.044 4.925 707 2HE LYS 89 1HE LYS 89 -22.825 4.298 5.061 708 1HZ LYS 89 1HZ LYS 89 -24.697 3.195 6.917 709 2HZ LYS 89 2HZ LYS 89 -23.707 2.400 5.788 710 H PHE 90 H PHE 90 -22.058 1.725 7.905 711 HA PHE 90 HA PHE 90 -21.491 0.581 10.618 712 1HB PHE 90 2HB PHE 90 -23.866 1.159 9.023 713 2HB PHE 90 1HB PHE 90 -23.847 -0.515 9.577 714 HD1 PHE 90 1HD PHE 90 -25.466 2.181 10.443 715 HD2 PHE 90 2HD PHE 90 -22.335 -0.229 12.130 716 HE1 PHE 90 1HE PHE 90 -26.120 2.922 12.717 717 HE2 PHE 90 2HE PHE 90 -22.989 0.513 14.404 718 HZ PHE 90 HZ PHE 90 -24.882 2.089 14.698 719 H SER 91 H SER 91 -20.841 0.103 7.369 720 HA SER 91 HA SER 91 -21.257 -2.718 7.063 721 1HB SER 91 2HB SER 91 -19.066 -1.261 5.653 722 2HB SER 91 1HB SER 91 -20.299 -2.335 4.997 723 HG SER 91 HG SER 91 -21.779 -0.707 5.134 724 H VAL 92 H VAL 92 -17.984 -1.431 6.772 725 HA VAL 92 HA VAL 92 -17.059 -3.471 8.766 726 HB VAL 92 HB VAL 92 -15.667 -2.479 6.260 727 1HG1 VAL 92 1HG1 VAL 92 -14.477 -3.602 8.353 728 2HG1 VAL 92 2HG1 VAL 92 -14.025 -4.055 6.710 729 3HG1 VAL 92 3HG1 VAL 92 -15.118 -5.081 7.639 730 1HG2 VAL 92 1HG2 VAL 92 -16.971 -3.873 5.064 731 2HG2 VAL 92 2HG2 VAL 92 -17.905 -4.232 6.516 732 3HG2 VAL 92 3HG2 VAL 92 -16.501 -5.217 6.105 733 H TYR 93 H TYR 93 -17.559 -0.324 8.650 734 HA TYR 93 HA TYR 93 -15.325 1.245 8.848 735 1HB TYR 93 2HB TYR 93 -16.824 2.590 9.884 736 2HB TYR 93 1HB TYR 93 -17.938 1.222 9.899 737 HD1 TYR 93 1HD TYR 93 -18.453 0.066 11.917 738 HD2 TYR 93 2HD TYR 93 -15.239 2.914 11.825 739 HE1 TYR 93 1HE TYR 93 -18.276 -0.055 14.387 740 HE2 TYR 93 2HE TYR 93 -15.063 2.793 14.296 741 HH TYR 93 HH TYR 93 -16.858 2.132 16.236 742 H ASP 94 H ASP 94 -16.480 -0.557 11.728 743 HA ASP 94 HA ASP 94 -14.291 -0.266 13.401 744 1HB ASP 94 2HB ASP 94 -15.924 -1.481 14.430 745 2HB ASP 94 1HB ASP 94 -16.423 -2.253 12.924 746 H GLN 95 H GLN 95 -14.698 -3.039 11.155 747 HA GLN 95 HA GLN 95 -12.181 -4.233 11.488 748 1HB GLN 95 2HB GLN 95 -14.414 -4.302 9.700 749 2HB GLN 95 1HB GLN 95 -12.942 -4.315 8.730 750 1HG GLN 95 2HG GLN 95 -13.085 -6.571 9.160 751 2HG GLN 95 1HG GLN 95 -12.200 -6.084 10.606 752 1HE2 GLN 95 1HE2 GLN 95 -15.383 -7.076 9.401 753 2HE2 GLN 95 2HE2 GLN 95 -16.079 -7.322 10.928 754 H LEU 96 H LEU 96 -13.036 -1.925 8.873 755 HA LEU 96 HA LEU 96 -10.255 -1.517 8.125 756 1HB LEU 96 2HB LEU 96 -11.683 0.525 6.999 757 2HB LEU 96 1HB LEU 96 -11.608 -1.105 6.329 758 HG LEU 96 HG LEU 96 -13.653 -0.406 8.426 759 1HD1 LEU 96 1HD1 LEU 96 -13.483 0.694 5.765 760 2HD1 LEU 96 2HD1 LEU 96 -14.713 0.973 6.997 761 3HD1 LEU 96 3HD1 LEU 96 -14.880 -0.377 5.875 762 1HD2 LEU 96 1HD2 LEU 96 -13.032 -2.792 7.556 763 2HD2 LEU 96 2HD2 LEU 96 -13.921 -2.314 6.110 764 3HD2 LEU 96 3HD2 LEU 96 -14.736 -2.352 7.673 765 H LYS 97 H LYS 97 -10.841 -0.933 10.956 766 HA LYS 97 HA LYS 97 -11.094 1.869 11.468 767 1HB LYS 97 2HB LYS 97 -11.271 0.774 13.449 768 2HB LYS 97 1HB LYS 97 -10.370 -0.617 12.841 769 1HG LYS 97 2HG LYS 97 -8.360 1.189 13.023 770 2HG LYS 97 1HG LYS 97 -9.400 1.763 14.328 771 1HD LYS 97 2HD LYS 97 -7.723 -0.612 14.227 772 2HD LYS 97 1HD LYS 97 -8.518 0.133 15.613 773 1HE LYS 97 2HE LYS 97 -10.687 -0.945 14.804 774 2HE LYS 97 1HE LYS 97 -9.688 -1.886 13.677 775 1HZ LYS 97 1HZ LYS 97 -8.400 -2.733 15.467 776 2HZ LYS 97 2HZ LYS 97 -9.143 -1.698 16.589 777 HA PRO 98 HA PRO 98 -6.302 2.004 11.607 778 1HB PRO 98 2HB PRO 98 -4.979 -0.232 10.682 779 2HB PRO 98 1HB PRO 98 -5.372 0.049 12.389 780 1HG PRO 98 2HG PRO 98 -6.723 -1.688 10.399 781 2HG PRO 98 1HG PRO 98 -6.483 -1.930 12.136 782 1HD PRO 98 2HD PRO 98 -8.850 -1.142 11.027 783 2HD PRO 98 1HD PRO 98 -8.360 -0.752 12.690 784 H LEU 99 H LEU 99 -7.278 -0.234 8.978 785 HA LEU 99 HA LEU 99 -5.681 0.749 6.896 786 1HB LEU 99 2HB LEU 99 -7.038 -0.603 5.634 787 2HB LEU 99 1HB LEU 99 -7.659 -1.092 7.211 788 HG LEU 99 HG LEU 99 -9.400 0.675 7.047 789 1HD1 LEU 99 1HD1 LEU 99 -9.179 2.323 5.531 790 2HD1 LEU 99 2HD1 LEU 99 -9.289 1.142 4.226 791 3HD1 LEU 99 3HD1 LEU 99 -7.718 1.554 4.912 792 1HD2 LEU 99 1HD2 LEU 99 -9.842 -1.650 6.268 793 2HD2 LEU 99 2HD2 LEU 99 -9.319 -1.185 4.648 794 3HD2 LEU 99 3HD2 LEU 99 -10.764 -0.459 5.351 795 H PHE 100 H PHE 100 -8.709 2.087 8.185 796 HA PHE 100 HA PHE 100 -8.835 4.176 6.112 797 1HB PHE 100 2HB PHE 100 -10.449 3.122 8.363 798 2HB PHE 100 1HB PHE 100 -10.649 4.844 8.039 799 HD1 PHE 100 1HD PHE 100 -12.862 2.869 7.626 800 HD2 PHE 100 2HD PHE 100 -9.757 4.212 4.980 801 HE1 PHE 100 1HE PHE 100 -14.297 2.338 5.674 802 HE2 PHE 100 2HE PHE 100 -11.191 3.682 3.028 803 HZ PHE 100 HZ PHE 100 -13.461 2.744 3.374 804 H ASP 101 H ASP 101 -7.618 3.802 9.380 805 HA ASP 101 HA ASP 101 -7.310 6.716 9.774 806 1HB ASP 101 2HB ASP 101 -6.837 4.192 11.352 807 2HB ASP 101 1HB ASP 101 -6.180 5.729 11.917 808 H PHE 102 H PHE 102 -5.181 3.842 9.507 809 HA PHE 102 HA PHE 102 -3.161 4.106 8.013 810 1HB PHE 102 2HB PHE 102 -3.787 6.615 8.087 811 2HB PHE 102 1HB PHE 102 -2.814 6.681 9.557 812 HD1 PHE 102 1HD PHE 102 -1.793 4.183 7.171 813 HD2 PHE 102 2HD PHE 102 -1.363 8.323 8.232 814 HE1 PHE 102 1HE PHE 102 0.270 4.320 5.801 815 HE2 PHE 102 2HE PHE 102 0.699 8.460 6.861 816 HZ PHE 102 HZ PHE 102 1.515 6.459 5.646 817 H THR 103 H THR 103 -1.806 2.620 8.944 818 HA THR 103 HA THR 103 -1.408 2.477 11.826 819 HB THR 103 HB THR 103 0.233 0.661 11.009 820 HG1 THR 103 1HG THR 103 0.639 0.680 8.969 821 1HG2 THR 103 1HG2 THR 103 -1.910 -0.515 9.827 822 2HG2 THR 103 2HG2 THR 103 -2.704 0.817 10.666 823 3HG2 THR 103 3HG2 THR 103 -1.736 -0.344 11.574 824 H GLN 104 H GLN 104 -0.001 3.801 12.883 825 HA GLN 104 HA GLN 104 2.165 5.177 11.423 826 1HB GLN 104 2HB GLN 104 1.198 5.215 14.302 827 2HB GLN 104 1HB GLN 104 2.412 6.311 13.639 828 1HG GLN 104 2HG GLN 104 0.872 7.483 12.382 829 2HG GLN 104 1HG GLN 104 -0.192 6.088 12.192 830 1HE2 GLN 104 1HE2 GLN 104 -0.411 5.369 14.984 831 2HE2 GLN 104 2HE2 GLN 104 -1.277 6.599 15.771 832 H THR 105 H THR 105 4.407 5.106 12.298 833 HA THR 105 HA THR 105 5.225 2.351 12.904 834 HB THR 105 HB THR 105 6.262 4.262 11.380 835 HG1 THR 105 1HG THR 105 8.379 3.251 11.925 836 1HG2 THR 105 1HG2 THR 105 7.950 5.571 12.448 837 2HG2 THR 105 2HG2 THR 105 7.788 4.671 13.956 838 3HG2 THR 105 3HG2 THR 105 6.499 5.754 13.433 839 H ASP 106 H ASP 106 6.000 1.625 14.880 840 HA ASP 106 HA ASP 106 5.259 2.765 17.324 841 1HB ASP 106 2HB ASP 106 7.487 1.365 17.982 842 2HB ASP 106 1HB ASP 106 5.965 0.589 17.542 843 H GLY 107 H GLY 107 6.745 4.654 15.401 844 1HA GLY 107 2HA GLY 107 7.839 6.703 16.067 845 2HA GLY 107 1HA GLY 107 8.463 5.874 17.494 846 H SER 108 H SER 108 9.048 3.582 15.409 847 HA SER 108 HA SER 108 11.822 4.476 14.897 848 1HB SER 108 2HB SER 108 10.450 2.065 15.486 849 2HB SER 108 1HB SER 108 11.120 1.866 13.870 850 HG SER 108 HG SER 108 13.055 2.937 15.066 851 H ALA 109 H ALA 109 12.729 3.926 12.647 852 HA ALA 109 HA ALA 109 11.177 5.268 10.609 853 1HB ALA 109 1HB ALA 109 13.144 5.007 9.343 854 2HB ALA 109 2HB ALA 109 13.537 3.464 10.103 855 3HB ALA 109 3HB ALA 109 13.751 4.969 10.999 856 H SER 110 H SER 110 9.420 4.297 9.661 857 HA SER 110 HA SER 110 9.579 1.358 9.070 858 1HB SER 110 2HB SER 110 7.887 2.292 10.762 859 2HB SER 110 1HB SER 110 7.097 3.062 9.389 860 HG SER 110 HG SER 110 6.138 1.098 9.607 861 HA PRO 111 HA PRO 111 9.629 3.052 4.907 862 1HB PRO 111 2HB PRO 111 9.825 0.560 3.705 863 2HB PRO 111 1HB PRO 111 11.210 1.505 4.284 864 1HG PRO 111 2HG PRO 111 9.839 -0.805 5.538 865 2HG PRO 111 1HG PRO 111 11.548 -0.344 5.577 866 1HD PRO 111 2HD PRO 111 9.840 0.042 7.663 867 2HD PRO 111 1HD PRO 111 11.264 1.060 7.360 868 HA PRO 112 HA PRO 112 5.240 1.969 4.606 869 1HB PRO 112 2HB PRO 112 4.442 4.401 3.671 870 2HB PRO 112 1HB PRO 112 4.733 4.090 5.394 871 1HG PRO 112 2HG PRO 112 6.409 5.529 3.424 872 2HG PRO 112 1HG PRO 112 6.222 5.798 5.162 873 1HD PRO 112 2HD PRO 112 8.357 4.490 3.935 874 2HD PRO 112 1HD PRO 112 7.947 4.419 5.661 875 HA PRO 113 HA PRO 113 5.627 1.078 0.271 876 1HB PRO 113 2HB PRO 113 3.162 -0.040 -0.080 877 2HB PRO 113 1HB PRO 113 4.493 -0.888 0.732 878 1HG PRO 113 2HG PRO 113 2.153 0.526 1.906 879 2HG PRO 113 1HG PRO 113 2.935 -0.978 2.417 880 1HD PRO 113 2HD PRO 113 3.335 1.432 3.643 881 2HD PRO 113 1HD PRO 113 4.532 0.117 3.638 882 H ALA 114 H ALA 114 2.220 1.923 0.943 883 HA ALA 114 HA ALA 114 1.321 3.176 -1.213 884 1HB ALA 114 1HB ALA 114 1.353 4.691 1.401 885 2HB ALA 114 2HB ALA 114 0.445 3.193 1.205 886 3HB ALA 114 3HB ALA 114 0.051 4.599 0.216 887 HA PRO 115 HA PRO 115 4.417 6.000 -2.625 888 1HB PRO 115 2HB PRO 115 2.679 7.384 -4.321 889 2HB PRO 115 1HB PRO 115 3.575 5.915 -4.749 890 1HG PRO 115 2HG PRO 115 0.742 6.235 -3.950 891 2HG PRO 115 1HG PRO 115 1.482 5.075 -5.063 892 1HD PRO 115 2HD PRO 115 0.666 4.411 -2.566 893 2HD PRO 115 1HD PRO 115 2.025 3.610 -3.385 894 H LYS 116 H LYS 116 4.640 8.439 -2.737 895 HA LYS 116 HA LYS 116 3.850 9.708 -0.318 896 1HB LYS 116 2HB LYS 116 5.430 10.213 -2.606 897 2HB LYS 116 1HB LYS 116 4.311 11.571 -2.487 898 1HG LYS 116 2HG LYS 116 5.069 11.225 0.135 899 2HG LYS 116 1HG LYS 116 6.555 10.835 -0.733 900 1HD LYS 116 2HD LYS 116 5.965 13.011 -2.105 901 2HD LYS 116 1HD LYS 116 5.017 13.409 -0.672 902 1HE LYS 116 2HE LYS 116 7.504 12.470 0.298 903 2HE LYS 116 1HE LYS 116 7.878 13.589 -1.028 904 1HZ LYS 116 1HZ LYS 116 6.033 15.016 0.003 905 2HZ LYS 116 2HZ LYS 116 7.547 14.999 0.771 906 H HIS 117 H HIS 117 1.958 10.742 0.241 907 HA HIS 117 HA HIS 117 -0.361 10.629 -1.480 908 1HB HIS 117 2HB HIS 117 -1.446 11.280 0.453 909 2HB HIS 117 1HB HIS 117 0.081 10.765 1.170 910 HD1 HIS 117 1HD HIS 117 -0.588 13.982 -0.745 911 HD2 HIS 117 2HD HIS 117 0.454 12.742 3.096 912 HE1 HIS 117 1HE HIS 117 -0.065 16.082 0.569 913 H HIS 118 H HIS 118 -1.013 12.123 -2.984 914 HA HIS 118 HA HIS 118 0.512 14.264 -3.928 915 1HB HIS 118 2HB HIS 118 -2.117 15.030 -4.356 916 2HB HIS 118 1HB HIS 118 -1.216 13.894 -5.361 917 HD1 HIS 118 1HD HIS 118 -3.068 12.223 -5.856 918 HD2 HIS 118 2HD HIS 118 -2.633 12.967 -1.777 919 HE1 HIS 118 1HE HIS 118 -4.525 10.532 -4.659 920 H HIS 119 H HIS 119 0.829 16.379 -3.264 921 HA HIS 119 HA HIS 119 -0.465 17.201 -0.701 922 1HB HIS 119 2HB HIS 119 1.692 18.855 -1.801 923 2HB HIS 119 1HB HIS 119 1.582 18.064 -0.229 924 HD1 HIS 119 1HD HIS 119 1.972 15.320 -0.379 925 HD2 HIS 119 2HD HIS 119 3.528 17.643 -3.471 926 HE1 HIS 119 1HE HIS 119 3.706 13.890 -1.547 927 H ALA 120 H ALA 120 -2.446 18.107 -1.443 928 HA ALA 120 HA ALA 120 -3.006 19.636 -3.689 929 1HB ALA 120 1HB ALA 120 -3.934 19.481 -0.876 930 2HB ALA 120 2HB ALA 120 -4.862 19.355 -2.372 931 3HB ALA 120 3HB ALA 120 -4.407 20.941 -1.746 932 H SER 121 H SER 121 -2.469 21.719 -4.389 933 HA SER 121 HA SER 121 -0.359 23.140 -2.923 934 1HB SER 121 2HB SER 121 -0.567 24.608 -5.008 935 2HB SER 121 1HB SER 121 -0.157 22.921 -5.302 936 HG SER 121 HG SER 121 -2.858 23.522 -5.165 937 H LYS 122 H LYS 122 -1.195 24.241 -1.150 938 HA LYS 122 HA LYS 122 -3.775 25.391 -0.952 939 1HB LYS 122 2HB LYS 122 -1.663 24.952 0.689 940 2HB LYS 122 1HB LYS 122 -1.497 26.692 0.451 941 1HG LYS 122 2HG LYS 122 -3.504 27.170 1.490 942 2HG LYS 122 1HG LYS 122 -4.224 25.622 1.042 943 1HD LYS 122 2HD LYS 122 -2.784 26.348 3.466 944 2HD LYS 122 1HD LYS 122 -3.773 24.925 3.138 945 1HE LYS 122 2HE LYS 122 -1.944 23.698 2.280 946 2HE LYS 122 1HE LYS 122 -0.978 25.163 2.009 947 1HZ LYS 122 1HZ LYS 122 -1.707 23.894 4.580 948 2HZ LYS 122 2HZ LYS 122 -1.235 25.524 4.501 949 H VAL 123 H VAL 123 -4.286 27.747 -0.890 950 HA VAL 123 HA VAL 123 -3.030 29.150 -3.191 951 HB VAL 123 HB VAL 123 -5.362 30.168 -1.603 952 1HG1 VAL 123 1HG1 VAL 123 -4.322 31.225 -3.720 953 2HG1 VAL 123 2HG1 VAL 123 -6.072 31.008 -3.700 954 3HG1 VAL 123 3HG1 VAL 123 -5.054 29.878 -4.592 955 1HG2 VAL 123 1HG2 VAL 123 -5.493 27.831 -3.536 956 2HG2 VAL 123 2HG2 VAL 123 -6.870 28.611 -2.756 957 3HG2 VAL 123 3HG2 VAL 123 -5.702 27.709 -1.789 958 H ASP 124 H ASP 124 -1.243 30.336 -2.555 959 HA ASP 124 HA ASP 124 -1.083 31.551 0.117 960 1HB ASP 124 2HB ASP 124 0.646 30.730 -2.008 961 2HB ASP 124 1HB ASP 124 0.947 32.441 -1.696
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