NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
21288 | 2hfq | 7266 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 14.760 0.546 -9.966 2 HA MET 1 HA MET 1 12.452 0.268 -10.423 3 1HB MET 1 1HB MET 1 12.457 -2.205 -10.165 4 2HB MET 1 2HB MET 1 12.590 -2.003 -8.425 5 1HG MET 1 1HG MET 1 10.423 -0.929 -8.357 6 2HG MET 1 2HG MET 1 10.296 -1.034 -10.114 7 1HE MET 1 1HE MET 1 7.637 -3.636 -8.902 8 2HE MET 1 2HE MET 1 7.932 -2.201 -9.885 9 3HE MET 1 3HE MET 1 8.045 -2.105 -8.128 10 H GLN 2 H GLN 2 11.238 1.747 -9.353 11 HA GLN 2 HA GLN 2 12.247 2.542 -6.710 12 1HB GLN 2 1HB GLN 2 11.167 4.717 -7.144 13 2HB GLN 2 2HB GLN 2 12.350 4.307 -8.375 14 1HG GLN 2 1HG GLN 2 10.601 3.685 -9.911 15 2HG GLN 2 2HG GLN 2 9.377 3.940 -8.670 16 1HE2 GLN 2 2HE2 GLN 2 12.147 6.022 -9.136 17 2HE2 GLN 2 1HE2 GLN 2 11.259 7.395 -9.699 18 H ILE 3 H ILE 3 11.113 1.896 -5.020 19 HA ILE 3 HA ILE 3 8.376 1.035 -5.343 20 HB ILE 3 HB ILE 3 8.500 0.628 -2.845 21 1HG1 ILE 3 1HG1 ILE 3 11.441 1.183 -3.312 22 2HG1 ILE 3 2HG1 ILE 3 10.352 2.207 -2.383 23 1HG2 ILE 3 1HG2 ILE 3 10.462 -0.764 -4.657 24 2HG2 ILE 3 2HG2 ILE 3 9.871 -1.395 -3.119 25 3HG2 ILE 3 3HG2 ILE 3 8.752 -1.148 -4.460 26 1HD1 ILE 3 1HD1 ILE 3 11.727 0.820 -0.937 27 2HD1 ILE 3 2HD1 ILE 3 10.018 0.407 -0.777 28 3HD1 ILE 3 3HD1 ILE 3 11.093 -0.631 -1.714 29 H HIS 4 H HIS 4 6.666 2.252 -5.101 30 HA HIS 4 HA HIS 4 6.940 4.920 -3.965 31 1HB HIS 4 1HB HIS 4 4.526 3.595 -5.232 32 2HB HIS 4 2HB HIS 4 4.658 5.292 -4.787 33 HD1 HIS 4 HD1 HIS 4 4.010 4.434 -7.670 34 HD2 HIS 4 HD2 HIS 4 7.842 5.261 -6.282 35 HE1 HIS 4 HE1 HIS 4 5.355 5.052 -9.709 36 HE2 HIS 4 HE2 HIS 4 7.651 5.615 -8.839 37 H VAL 5 H VAL 5 6.756 5.090 -1.848 38 HA VAL 5 HA VAL 5 5.395 3.041 -0.318 39 HB VAL 5 HB VAL 5 6.815 5.521 0.670 40 1HG1 VAL 5 1HG1 VAL 5 6.014 2.992 2.103 41 2HG1 VAL 5 2HG1 VAL 5 6.960 4.309 2.795 42 3HG1 VAL 5 3HG1 VAL 5 5.288 4.587 2.310 43 1HG2 VAL 5 1HG2 VAL 5 8.331 4.120 -0.620 44 2HG2 VAL 5 2HG2 VAL 5 8.727 4.049 1.098 45 3HG2 VAL 5 3HG2 VAL 5 7.864 2.713 0.336 46 H TYR 6 H TYR 6 3.231 3.219 -0.350 47 HA TYR 6 HA TYR 6 2.042 5.855 0.120 48 1HB TYR 6 1HB TYR 6 0.932 3.282 -0.967 49 2HB TYR 6 2HB TYR 6 -0.131 4.563 -0.391 50 HD1 TYR 6 HD1 TYR 6 2.165 3.522 -3.031 51 HD2 TYR 6 HD2 TYR 6 -0.234 6.712 -1.558 52 HE1 TYR 6 HE1 TYR 6 2.338 4.651 -5.209 53 HE2 TYR 6 HE2 TYR 6 -0.068 7.848 -3.731 54 HH TYR 6 HH TYR 6 1.418 7.888 -5.676 55 H ASP 7 H ASP 7 2.160 6.227 2.219 56 HA ASP 7 HA ASP 7 1.720 4.351 4.298 57 1HB ASP 7 1HB ASP 7 2.997 6.518 4.463 58 2HB ASP 7 2HB ASP 7 1.459 7.367 4.394 59 H THR 8 H THR 8 -0.214 3.417 4.702 60 HA THR 8 HA THR 8 -2.625 4.909 3.914 61 HB THR 8 HB THR 8 -2.370 1.917 4.238 62 HG1 THR 8 HG1 THR 8 -1.044 2.979 2.515 63 1HG2 THR 8 1HG2 THR 8 -4.657 2.767 4.383 64 2HG2 THR 8 2HG2 THR 8 -4.438 3.649 2.872 65 3HG2 THR 8 3HG2 THR 8 -4.420 1.885 2.875 66 H TYR 9 H TYR 9 -4.038 5.491 5.409 67 HA TYR 9 HA TYR 9 -3.842 4.347 8.102 68 1HB TYR 9 1HB TYR 9 -5.289 6.799 7.083 69 2HB TYR 9 2HB TYR 9 -5.338 6.239 8.747 70 HD1 TYR 9 HD1 TYR 9 -3.364 7.951 6.209 71 HD2 TYR 9 HD2 TYR 9 -3.355 6.407 10.173 72 HE1 TYR 9 HE1 TYR 9 -1.360 9.283 6.719 73 HE2 TYR 9 HE2 TYR 9 -1.353 7.733 10.690 74 HH TYR 9 HH TYR 9 -0.268 10.247 8.787 75 H VAL 10 H VAL 10 -5.087 2.604 8.372 76 HA VAL 10 HA VAL 10 -7.872 2.770 7.419 77 HB VAL 10 HB VAL 10 -6.109 0.339 7.758 78 1HG1 VAL 10 1HG1 VAL 10 -9.067 0.413 7.174 79 2HG1 VAL 10 2HG1 VAL 10 -8.043 -1.023 7.141 80 3HG1 VAL 10 3HG1 VAL 10 -8.319 -0.172 8.662 81 1HG2 VAL 10 1HG2 VAL 10 -6.659 -0.027 5.388 82 2HG2 VAL 10 2HG2 VAL 10 -7.570 1.483 5.384 83 3HG2 VAL 10 3HG2 VAL 10 -5.826 1.505 5.657 84 H LYS 11 H LYS 11 -9.139 3.290 9.068 85 HA LYS 11 HA LYS 11 -8.225 2.848 11.787 86 1HB LYS 11 1HB LYS 11 -10.695 4.214 10.700 87 2HB LYS 11 2HB LYS 11 -10.229 4.179 12.395 88 1HG LYS 11 1HG LYS 11 -8.252 5.460 11.937 89 2HG LYS 11 2HG LYS 11 -8.551 5.375 10.198 90 1HD LYS 11 1HD LYS 11 -10.589 6.664 10.461 91 2HD LYS 11 2HD LYS 11 -10.375 6.688 12.211 92 1HE LYS 11 1HE LYS 11 -8.423 7.863 10.241 93 2HE LYS 11 2HE LYS 11 -9.683 8.787 11.056 94 1HZ LYS 11 1HZ LYS 11 -8.667 8.072 13.191 95 2HZ LYS 11 2HZ LYS 11 -7.385 7.390 12.317 96 3HZ LYS 11 3HZ LYS 11 -7.663 9.061 12.250 97 H ALA 12 H ALA 12 -8.471 0.777 12.430 98 HA ALA 12 HA ALA 12 -11.002 -0.590 12.155 99 1HB ALA 12 1HB ALA 12 -9.982 -2.335 13.526 100 2HB ALA 12 2HB ALA 12 -8.903 -1.874 12.208 101 3HB ALA 12 3HB ALA 12 -8.596 -1.291 13.845 102 H LYS 13 H LYS 13 -12.311 -1.178 14.052 103 HA LYS 13 HA LYS 13 -12.848 1.189 15.532 104 1HB LYS 13 1HB LYS 13 -14.631 -0.341 14.818 105 2HB LYS 13 2HB LYS 13 -13.996 -1.582 15.892 106 1HG LYS 13 1HG LYS 13 -14.433 -0.105 17.814 107 2HG LYS 13 2HG LYS 13 -15.140 1.078 16.713 108 1HD LYS 13 1HD LYS 13 -16.850 -0.528 16.065 109 2HD LYS 13 2HD LYS 13 -16.126 -1.744 17.120 110 1HE LYS 13 1HE LYS 13 -17.323 0.887 17.986 111 2HE LYS 13 2HE LYS 13 -18.053 -0.705 18.189 112 1HZ LYS 13 1HZ LYS 13 -16.163 -1.324 19.597 113 2HZ LYS 13 2HZ LYS 13 -15.530 0.245 19.446 114 3HZ LYS 13 3HZ LYS 13 -17.016 0.000 20.229 115 H ASP 14 H ASP 14 -12.131 -2.090 16.791 116 HA ASP 14 HA ASP 14 -10.963 -0.741 19.144 117 1HB ASP 14 1HB ASP 14 -11.787 -2.521 20.558 118 2HB ASP 14 2HB ASP 14 -13.128 -1.851 19.638 119 H GLY 15 H GLY 15 -10.382 -2.858 16.581 120 1HA GLY 15 1HA GLY 15 -8.457 -4.577 17.751 121 2HA GLY 15 2HA GLY 15 -8.576 -4.181 16.041 122 H HIS 16 H HIS 16 -7.627 -2.162 15.333 123 HA HIS 16 HA HIS 16 -6.104 -0.458 16.917 124 1HB HIS 16 1HB HIS 16 -3.795 -1.100 16.091 125 2HB HIS 16 2HB HIS 16 -4.485 -2.168 17.302 126 HD1 HIS 16 HD1 HIS 16 -3.835 -4.484 16.812 127 HD2 HIS 16 HD2 HIS 16 -4.570 -2.343 13.323 128 HE1 HIS 16 HE1 HIS 16 -3.524 -6.123 14.930 129 HE2 HIS 16 HE2 HIS 16 -4.180 -4.860 12.850 130 H VAL 17 H VAL 17 -5.452 1.329 15.731 131 HA VAL 17 HA VAL 17 -6.369 1.749 13.141 132 HB VAL 17 HB VAL 17 -3.990 3.095 14.444 133 1HG1 VAL 17 1HG1 VAL 17 -4.104 3.495 12.043 134 2HG1 VAL 17 2HG1 VAL 17 -5.784 4.007 12.194 135 3HG1 VAL 17 3HG1 VAL 17 -4.501 4.960 12.939 136 1HG2 VAL 17 1HG2 VAL 17 -5.582 4.815 15.153 137 2HG2 VAL 17 2HG2 VAL 17 -6.909 3.859 14.493 138 3HG2 VAL 17 3HG2 VAL 17 -5.972 3.245 15.855 139 H MET 18 H MET 18 -5.795 0.755 11.370 140 HA MET 18 HA MET 18 -3.365 -0.777 11.232 141 1HB MET 18 1HB MET 18 -5.683 -0.347 9.358 142 2HB MET 18 2HB MET 18 -4.267 -1.276 8.887 143 1HG MET 18 1HG MET 18 -5.939 -1.905 11.302 144 2HG MET 18 2HG MET 18 -6.217 -2.610 9.707 145 1HE MET 18 1HE MET 18 -3.340 -2.961 8.557 146 2HE MET 18 2HE MET 18 -4.582 -4.212 8.484 147 3HE MET 18 3HE MET 18 -2.963 -4.608 9.063 148 H HIS 19 H HIS 19 -1.747 0.718 11.272 149 HA HIS 19 HA HIS 19 -1.616 2.645 9.074 150 1HB HIS 19 1HB HIS 19 -1.160 3.344 11.477 151 2HB HIS 19 2HB HIS 19 0.297 2.362 11.400 152 HD1 HIS 19 HD1 HIS 19 2.106 4.090 11.398 153 HD2 HIS 19 HD2 HIS 19 -0.913 4.933 8.665 154 HE1 HIS 19 HE1 HIS 19 2.888 6.105 10.117 155 HE2 HIS 19 HE2 HIS 19 1.168 6.417 8.301 156 H PHE 20 H PHE 20 -1.051 1.446 7.338 157 HA PHE 20 HA PHE 20 1.524 0.048 7.496 158 1HB PHE 20 1HB PHE 20 0.629 -1.720 6.006 159 2HB PHE 20 2HB PHE 20 -0.185 -1.678 7.565 160 HD1 PHE 20 HD1 PHE 20 -0.523 -1.004 3.975 161 HD2 PHE 20 HD2 PHE 20 -2.507 -1.105 7.737 162 HE1 PHE 20 HE1 PHE 20 -2.695 -0.885 2.827 163 HE2 PHE 20 HE2 PHE 20 -4.682 -0.982 6.596 164 HZ PHE 20 HZ PHE 20 -4.778 -0.873 4.138 165 H ASP 21 H ASP 21 2.727 0.032 5.546 166 HA ASP 21 HA ASP 21 1.835 2.105 3.673 167 1HB ASP 21 1HB ASP 21 4.212 2.330 3.042 168 2HB ASP 21 2HB ASP 21 3.940 2.642 4.749 169 H VAL 22 H VAL 22 1.607 1.716 1.579 170 HA VAL 22 HA VAL 22 1.734 -1.081 0.729 171 HB VAL 22 HB VAL 22 0.422 1.273 -0.652 172 1HG1 VAL 22 1HG1 VAL 22 0.958 -0.491 -2.214 173 2HG1 VAL 22 2HG1 VAL 22 0.218 -1.693 -1.157 174 3HG1 VAL 22 3HG1 VAL 22 -0.784 -0.464 -1.931 175 1HG2 VAL 22 1HG2 VAL 22 -0.806 -0.859 1.092 176 2HG2 VAL 22 2HG2 VAL 22 -0.638 0.849 1.491 177 3HG2 VAL 22 3HG2 VAL 22 -1.697 0.352 0.172 178 H PHE 23 H PHE 23 3.552 -1.669 -0.263 179 HA PHE 23 HA PHE 23 5.135 0.239 -1.767 180 1HB PHE 23 1HB PHE 23 5.463 -2.742 -1.330 181 2HB PHE 23 2HB PHE 23 6.584 -1.750 -2.250 182 HD1 PHE 23 HD1 PHE 23 5.855 -3.116 0.901 183 HD2 PHE 23 HD2 PHE 23 7.589 0.293 -0.965 184 HE1 PHE 23 HE1 PHE 23 7.128 -2.644 2.953 185 HE2 PHE 23 HE2 PHE 23 8.863 0.772 1.084 186 HZ PHE 23 HZ PHE 23 8.636 -0.699 3.046 187 H THR 24 H THR 24 4.427 0.790 -3.742 188 HA THR 24 HA THR 24 3.769 -1.414 -5.550 189 HB THR 24 HB THR 24 1.606 -0.541 -4.781 190 HG1 THR 24 HG1 THR 24 1.343 -1.225 -6.809 191 1HG2 THR 24 1HG2 THR 24 2.261 1.755 -4.267 192 2HG2 THR 24 2HG2 THR 24 2.526 2.074 -5.981 193 3HG2 THR 24 3HG2 THR 24 0.900 1.730 -5.389 194 H ASP 25 H ASP 25 3.847 -0.814 -7.798 195 HA ASP 25 HA ASP 25 5.998 1.079 -8.334 196 1HB ASP 25 1HB ASP 25 6.273 -1.136 -9.256 197 2HB ASP 25 2HB ASP 25 4.677 -1.084 -9.990 198 H VAL 26 H VAL 26 2.625 0.846 -8.473 199 HA VAL 26 HA VAL 26 2.158 2.576 -10.714 200 HB VAL 26 HB VAL 26 0.260 1.887 -8.461 201 1HG1 VAL 26 1HG1 VAL 26 -1.491 2.361 -10.108 202 2HG1 VAL 26 2HG1 VAL 26 -0.474 3.771 -9.814 203 3HG1 VAL 26 3HG1 VAL 26 -0.256 2.819 -11.282 204 1HG2 VAL 26 1HG2 VAL 26 -0.570 0.097 -9.916 205 2HG2 VAL 26 2HG2 VAL 26 0.712 0.452 -11.075 206 3HG2 VAL 26 3HG2 VAL 26 1.117 -0.153 -9.468 207 H ARG 27 H ARG 27 1.650 4.769 -10.696 208 HA ARG 27 HA ARG 27 2.434 6.168 -8.233 209 1HB ARG 27 1HB ARG 27 2.916 8.097 -9.644 210 2HB ARG 27 2HB ARG 27 3.764 6.678 -10.241 211 1HG ARG 27 1HG ARG 27 2.132 6.400 -12.004 212 2HG ARG 27 2HG ARG 27 1.186 7.749 -11.372 213 1HD ARG 27 1HD ARG 27 3.031 9.272 -11.823 214 2HD ARG 27 2HD ARG 27 4.015 7.929 -12.404 215 HE ARG 27 HE ARG 27 1.898 7.761 -14.024 216 1HH1 ARG 27 1HH1 ARG 27 3.806 10.536 -13.057 217 2HH1 ARG 27 2HH1 ARG 27 3.548 11.395 -14.545 218 1HH2 ARG 27 1HH2 ARG 27 1.558 8.875 -15.972 219 2HH2 ARG 27 2HH2 ARG 27 2.266 10.444 -16.216 220 H ASP 28 H ASP 28 -0.243 5.054 -8.851 221 HA ASP 28 HA ASP 28 -1.811 7.529 -9.021 222 1HB ASP 28 1HB ASP 28 -2.357 5.798 -10.703 223 2HB ASP 28 2HB ASP 28 -2.768 4.689 -9.404 224 H ASP 29 H ASP 29 -2.670 8.308 -7.277 225 HA ASP 29 HA ASP 29 -2.516 7.078 -4.746 226 1HB ASP 29 1HB ASP 29 -4.195 9.021 -4.186 227 2HB ASP 29 2HB ASP 29 -2.522 9.384 -4.606 228 H LYS 30 H LYS 30 -5.125 7.370 -7.094 229 HA LYS 30 HA LYS 30 -7.182 6.299 -5.499 230 1HB LYS 30 1HB LYS 30 -7.703 7.427 -7.565 231 2HB LYS 30 2HB LYS 30 -6.770 6.260 -8.491 232 1HG LYS 30 1HG LYS 30 -8.372 4.505 -7.838 233 2HG LYS 30 2HG LYS 30 -9.324 5.725 -6.992 234 1HD LYS 30 1HD LYS 30 -10.337 5.395 -9.119 235 2HD LYS 30 2HD LYS 30 -9.518 6.954 -9.167 236 1HE LYS 30 1HE LYS 30 -8.302 4.407 -10.225 237 2HE LYS 30 2HE LYS 30 -9.253 5.508 -11.216 238 1HZ LYS 30 1HZ LYS 30 -6.585 5.918 -10.023 239 2HZ LYS 30 2HZ LYS 30 -7.106 6.193 -11.613 240 3HZ LYS 30 3HZ LYS 30 -7.567 7.258 -10.376 241 H LYS 31 H LYS 31 -4.890 4.771 -7.732 242 HA LYS 31 HA LYS 31 -5.713 2.124 -7.373 243 1HB LYS 31 1HB LYS 31 -3.157 3.418 -8.219 244 2HB LYS 31 2HB LYS 31 -3.168 1.692 -7.904 245 1HG LYS 31 1HG LYS 31 -4.972 3.111 -9.854 246 2HG LYS 31 2HG LYS 31 -3.513 2.208 -10.273 247 1HD LYS 31 1HD LYS 31 -4.486 0.170 -9.387 248 2HD LYS 31 2HD LYS 31 -5.919 1.055 -8.863 249 1HE LYS 31 1HE LYS 31 -6.441 1.591 -11.186 250 2HE LYS 31 2HE LYS 31 -4.998 0.728 -11.716 251 1HZ LYS 31 1HZ LYS 31 -5.901 -1.320 -10.990 252 2HZ LYS 31 2HZ LYS 31 -7.185 -0.557 -10.174 253 3HZ LYS 31 3HZ LYS 31 -7.127 -0.544 -11.871 254 H ALA 32 H ALA 32 -3.462 4.104 -5.498 255 HA ALA 32 HA ALA 32 -2.546 2.138 -3.737 256 1HB ALA 32 1HB ALA 32 -3.088 5.044 -3.135 257 2HB ALA 32 2HB ALA 32 -2.070 3.960 -2.187 258 3HB ALA 32 3HB ALA 32 -1.603 4.394 -3.831 259 H ILE 33 H ILE 33 -5.395 4.246 -3.525 260 HA ILE 33 HA ILE 33 -6.454 3.204 -1.138 261 HB ILE 33 HB ILE 33 -7.882 4.424 -3.510 262 1HG1 ILE 33 1HG1 ILE 33 -7.030 5.596 -0.854 263 2HG1 ILE 33 2HG1 ILE 33 -6.299 5.939 -2.418 264 1HG2 ILE 33 1HG2 ILE 33 -8.930 3.860 -0.741 265 2HG2 ILE 33 2HG2 ILE 33 -9.773 4.779 -1.986 266 3HG2 ILE 33 3HG2 ILE 33 -9.432 3.066 -2.234 267 1HD1 ILE 33 1HD1 ILE 33 -8.351 6.988 -3.170 268 2HD1 ILE 33 2HD1 ILE 33 -9.133 6.594 -1.639 269 3HD1 ILE 33 3HD1 ILE 33 -7.785 7.729 -1.671 270 H GLU 34 H GLU 34 -7.046 2.358 -4.523 271 HA GLU 34 HA GLU 34 -9.029 0.441 -4.092 272 1HB GLU 34 1HB GLU 34 -8.562 1.473 -6.269 273 2HB GLU 34 2HB GLU 34 -7.029 0.619 -6.351 274 1HG GLU 34 1HG GLU 34 -8.081 -1.462 -6.619 275 2HG GLU 34 2HG GLU 34 -9.649 -0.821 -6.129 276 H PHE 35 H PHE 35 -5.501 0.007 -4.450 277 HA PHE 35 HA PHE 35 -5.548 -2.809 -4.287 278 1HB PHE 35 1HB PHE 35 -3.345 -0.850 -3.617 279 2HB PHE 35 2HB PHE 35 -3.125 -2.595 -3.667 280 HD1 PHE 35 HD1 PHE 35 -1.757 -0.347 -5.314 281 HD2 PHE 35 HD2 PHE 35 -4.985 -3.007 -6.102 282 HE1 PHE 35 HE1 PHE 35 -1.278 -0.210 -7.723 283 HE2 PHE 35 HE2 PHE 35 -4.512 -2.875 -8.512 284 HZ PHE 35 HZ PHE 35 -2.655 -1.475 -9.324 285 H ALA 36 H ALA 36 -5.275 -0.299 -1.829 286 HA ALA 36 HA ALA 36 -4.756 -2.004 0.357 287 1HB ALA 36 1HB ALA 36 -6.132 0.683 0.353 288 2HB ALA 36 2HB ALA 36 -5.438 -0.127 1.757 289 3HB ALA 36 3HB ALA 36 -4.392 0.417 0.447 290 H LYS 37 H LYS 37 -7.773 -0.770 -1.038 291 HA LYS 37 HA LYS 37 -9.467 -1.881 0.940 292 1HB LYS 37 1HB LYS 37 -10.060 -1.052 -1.902 293 2HB LYS 37 2HB LYS 37 -11.287 -1.495 -0.720 294 1HG LYS 37 1HG LYS 37 -10.556 0.353 0.714 295 2HG LYS 37 2HG LYS 37 -9.357 0.807 -0.497 296 1HD LYS 37 1HD LYS 37 -11.269 2.229 -0.751 297 2HD LYS 37 2HD LYS 37 -11.213 1.122 -2.123 298 1HE LYS 37 1HE LYS 37 -12.906 -0.280 -1.083 299 2HE LYS 37 2HE LYS 37 -12.931 0.772 0.332 300 1HZ LYS 37 1HZ LYS 37 -13.703 2.582 -1.086 301 2HZ LYS 37 2HZ LYS 37 -13.704 1.547 -2.430 302 3HZ LYS 37 3HZ LYS 37 -14.770 1.263 -1.141 303 H GLN 38 H GLN 38 -8.414 -3.070 -2.241 304 HA GLN 38 HA GLN 38 -9.898 -5.456 -2.246 305 1HB GLN 38 1HB GLN 38 -7.154 -4.944 -3.414 306 2HB GLN 38 2HB GLN 38 -8.172 -6.325 -3.795 307 1HG GLN 38 1HG GLN 38 -9.860 -4.798 -4.720 308 2HG GLN 38 2HG GLN 38 -8.787 -3.437 -4.384 309 1HE2 GLN 38 2HE2 GLN 38 -9.370 -6.208 -6.387 310 2HE2 GLN 38 1HE2 GLN 38 -8.186 -5.839 -7.590 311 H TRP 39 H TRP 39 -6.778 -4.635 -0.859 312 HA TRP 39 HA TRP 39 -6.095 -7.229 0.041 313 1HB TRP 39 1HB TRP 39 -4.456 -5.412 -0.244 314 2HB TRP 39 2HB TRP 39 -5.210 -4.528 1.077 315 HD1 TRP 39 HD1 TRP 39 -3.406 -7.916 0.530 316 HE1 TRP 39 HE1 TRP 39 -2.097 -8.473 2.671 317 HE3 TRP 39 HE3 TRP 39 -4.877 -3.960 3.403 318 HZ2 TRP 39 HZ2 TRP 39 -1.736 -7.363 5.245 319 HZ3 TRP 39 HZ3 TRP 39 -4.002 -3.775 5.695 320 HH2 TRP 39 HH2 TRP 39 -2.464 -5.443 6.595 321 H LEU 40 H LEU 40 -7.697 -4.479 1.618 322 HA LEU 40 HA LEU 40 -7.992 -5.597 4.164 323 1HB LEU 40 1HB LEU 40 -9.775 -3.660 2.692 324 2HB LEU 40 2HB LEU 40 -9.938 -4.045 4.394 325 HG LEU 40 HG LEU 40 -7.528 -2.747 3.118 326 1HD1 LEU 40 1HD1 LEU 40 -9.654 -1.587 4.913 327 2HD1 LEU 40 2HD1 LEU 40 -8.238 -0.742 4.289 328 3HD1 LEU 40 3HD1 LEU 40 -9.496 -1.289 3.181 329 1HD2 LEU 40 1HD2 LEU 40 -6.913 -4.116 5.032 330 2HD2 LEU 40 2HD2 LEU 40 -6.783 -2.402 5.431 331 3HD2 LEU 40 3HD2 LEU 40 -8.161 -3.340 6.008 332 H SER 41 H SER 41 -10.202 -5.696 1.379 333 HA SER 41 HA SER 41 -12.182 -7.288 2.582 334 1HB SER 41 1HB SER 41 -11.413 -7.107 -0.340 335 2HB SER 41 2HB SER 41 -12.939 -7.729 0.288 336 HG SER 41 HG SER 41 -13.558 -5.736 0.859 337 H SER 42 H SER 42 -9.128 -8.070 1.118 338 HA SER 42 HA SER 42 -9.603 -10.847 0.741 339 1HB SER 42 1HB SER 42 -7.859 -9.565 -0.476 340 2HB SER 42 2HB SER 42 -6.971 -9.372 1.034 341 HG SER 42 HG SER 42 -7.662 -11.971 0.285 342 H ILE 43 H ILE 43 -7.852 -9.002 3.253 343 HA ILE 43 HA ILE 43 -7.302 -11.379 4.767 344 HB ILE 43 HB ILE 43 -6.379 -9.850 6.476 345 1HG1 ILE 43 1HG1 ILE 43 -7.166 -7.671 4.526 346 2HG1 ILE 43 2HG1 ILE 43 -7.924 -7.959 6.086 347 1HG2 ILE 43 1HG2 ILE 43 -4.980 -10.688 4.673 348 2HG2 ILE 43 2HG2 ILE 43 -5.459 -9.331 3.652 349 3HG2 ILE 43 3HG2 ILE 43 -4.511 -9.045 5.111 350 1HD1 ILE 43 1HD1 ILE 43 -6.369 -6.111 6.201 351 2HD1 ILE 43 2HD1 ILE 43 -5.813 -7.454 7.201 352 3HD1 ILE 43 3HD1 ILE 43 -5.064 -7.152 5.632 353 H GLY 44 H GLY 44 -9.815 -8.953 4.805 354 1HA GLY 44 1HA GLY 44 -11.947 -9.745 5.731 355 2HA GLY 44 2HA GLY 44 -11.031 -10.426 7.065 356 H GLU 45 H GLU 45 -9.630 -7.533 6.389 357 HA GLU 45 HA GLU 45 -11.121 -6.238 8.552 358 1HB GLU 45 1HB GLU 45 -8.384 -5.619 7.413 359 2HB GLU 45 2HB GLU 45 -9.145 -4.747 8.738 360 1HG GLU 45 1HG GLU 45 -9.236 -6.911 9.992 361 2HG GLU 45 2HG GLU 45 -8.261 -7.621 8.708 362 H GLU 46 H GLU 46 -12.477 -6.277 6.258 363 HA GLU 46 HA GLU 46 -11.965 -4.050 4.532 364 1HB GLU 46 1HB GLU 46 -13.059 -6.123 3.769 365 2HB GLU 46 2HB GLU 46 -14.418 -5.795 4.832 366 1HG GLU 46 1HG GLU 46 -14.780 -3.672 3.542 367 2HG GLU 46 2HG GLU 46 -13.576 -4.256 2.393 368 H GLY 47 H GLY 47 -13.352 -4.310 7.590 369 1HA GLY 47 1HA GLY 47 -15.493 -2.422 7.250 370 2HA GLY 47 2HA GLY 47 -14.932 -3.100 8.765 371 H ALA 48 H ALA 48 -13.756 -0.909 6.243 372 HA ALA 48 HA ALA 48 -13.469 1.232 8.154 373 1HB ALA 48 1HB ALA 48 -11.026 0.157 6.752 374 2HB ALA 48 2HB ALA 48 -11.096 1.616 7.741 375 3HB ALA 48 3HB ALA 48 -11.363 0.036 8.479 376 H THR 49 H THR 49 -13.102 3.266 7.138 377 HA THR 49 HA THR 49 -13.833 3.259 4.295 378 HB THR 49 HB THR 49 -14.034 5.526 6.293 379 HG1 THR 49 HG1 THR 49 -15.986 3.676 5.320 380 1HG2 THR 49 1HG2 THR 49 -13.865 6.288 3.974 381 2HG2 THR 49 2HG2 THR 49 -15.182 5.208 3.515 382 3HG2 THR 49 3HG2 THR 49 -15.490 6.560 4.604 383 H VAL 50 H VAL 50 -12.292 3.745 2.869 384 HA VAL 50 HA VAL 50 -9.910 5.188 3.825 385 HB VAL 50 HB VAL 50 -10.168 3.426 1.377 386 1HG1 VAL 50 1HG1 VAL 50 -7.724 3.616 1.262 387 2HG1 VAL 50 2HG1 VAL 50 -8.510 5.184 1.085 388 3HG1 VAL 50 3HG1 VAL 50 -7.754 4.745 2.615 389 1HG2 VAL 50 1HG2 VAL 50 -8.817 2.893 4.021 390 2HG2 VAL 50 2HG2 VAL 50 -10.294 2.124 3.436 391 3HG2 VAL 50 3HG2 VAL 50 -8.763 1.844 2.606 392 H THR 51 H THR 51 -10.042 7.272 3.388 393 HA THR 51 HA THR 51 -11.209 8.145 0.832 394 HB THR 51 HB THR 51 -11.420 10.365 1.909 395 HG1 THR 51 HG1 THR 51 -11.106 10.346 4.276 396 1HG2 THR 51 1HG2 THR 51 -12.666 8.119 3.497 397 2HG2 THR 51 2HG2 THR 51 -13.223 9.792 3.471 398 3HG2 THR 51 3HG2 THR 51 -13.308 8.812 2.007 399 H SER 52 H SER 52 -10.145 10.531 0.396 400 HA SER 52 HA SER 52 -7.472 10.079 -0.392 401 1HB SER 52 1HB SER 52 -8.991 12.679 -0.091 402 2HB SER 52 2HB SER 52 -7.456 12.495 -0.938 403 HG SER 52 HG SER 52 -8.926 12.319 -2.512 404 H GLU 53 H GLU 53 -8.856 11.070 2.568 405 HA GLU 53 HA GLU 53 -6.503 12.373 3.595 406 1HB GLU 53 1HB GLU 53 -9.113 11.502 4.824 407 2HB GLU 53 2HB GLU 53 -7.819 12.234 5.758 408 1HG GLU 53 1HG GLU 53 -9.176 13.505 3.399 409 2HG GLU 53 2HG GLU 53 -9.533 13.851 5.092 410 H GLU 54 H GLU 54 -7.899 9.200 3.566 411 HA GLU 54 HA GLU 54 -6.211 8.181 5.671 412 1HB GLU 54 1HB GLU 54 -7.951 6.667 3.718 413 2HB GLU 54 2HB GLU 54 -7.261 6.039 5.208 414 1HG GLU 54 1HG GLU 54 -9.328 8.216 4.992 415 2HG GLU 54 2HG GLU 54 -9.621 6.546 5.467 416 H CYS 55 H CYS 55 -6.268 8.223 2.162 417 HA CYS 55 HA CYS 55 -3.933 6.517 1.986 418 1HB CYS 55 1HB CYS 55 -4.085 6.878 -0.421 419 2HB CYS 55 2HB CYS 55 -5.665 6.442 0.228 420 HG CYS 55 HG CYS 55 -5.154 9.740 0.091 421 H ARG 56 H ARG 56 -1.878 7.189 1.840 422 HA ARG 56 HA ARG 56 -1.322 10.053 1.547 423 1HB ARG 56 1HB ARG 56 -1.525 9.661 3.928 424 2HB ARG 56 2HB ARG 56 -0.473 8.262 3.829 425 1HG ARG 56 1HG ARG 56 1.385 9.784 3.187 426 2HG ARG 56 2HG ARG 56 0.298 11.147 3.487 427 1HD ARG 56 1HD ARG 56 -0.035 10.358 5.785 428 2HD ARG 56 2HD ARG 56 1.074 9.024 5.483 429 HE ARG 56 HE ARG 56 2.155 11.675 5.057 430 1HH1 ARG 56 1HH1 ARG 56 1.776 8.939 7.206 431 2HH1 ARG 56 2HH1 ARG 56 3.026 9.462 8.299 432 1HH2 ARG 56 1HH2 ARG 56 3.828 12.350 6.479 433 2HH2 ARG 56 2HH2 ARG 56 4.215 11.388 7.871 434 H PHE 57 H PHE 57 0.658 10.487 0.585 435 HA PHE 57 HA PHE 57 2.223 8.120 -0.212 436 1HB PHE 57 1HB PHE 57 1.273 9.350 -2.113 437 2HB PHE 57 2HB PHE 57 2.033 10.833 -1.546 438 HD1 PHE 57 HD1 PHE 57 2.946 7.341 -2.496 439 HD2 PHE 57 HD2 PHE 57 4.035 11.453 -2.486 440 HE1 PHE 57 HE1 PHE 57 4.948 6.809 -3.821 441 HE2 PHE 57 HE2 PHE 57 6.040 10.929 -3.812 442 HZ PHE 57 HZ PHE 57 6.497 8.604 -4.482 443 H CYS 58 H CYS 58 4.134 7.887 0.734 444 HA CYS 58 HA CYS 58 5.244 10.064 2.286 445 1HB CYS 58 1HB CYS 58 6.235 7.238 1.854 446 2HB CYS 58 2HB CYS 58 6.936 8.396 2.981 447 HG CYS 58 HG CYS 58 5.551 6.759 4.621 448 H HIS 59 H HIS 59 6.674 7.833 -0.101 449 HA HIS 59 HA HIS 59 7.828 9.791 -1.735 450 1HB HIS 59 1HB HIS 59 10.203 9.618 -1.030 451 2HB HIS 59 2HB HIS 59 9.200 10.389 0.189 452 HD1 HIS 59 HD1 HIS 59 9.148 9.330 2.490 453 HD2 HIS 59 HD2 HIS 59 11.004 6.935 -0.365 454 HE1 HIS 59 HE1 HIS 59 10.153 7.405 3.759 455 HE2 HIS 59 HE2 HIS 59 11.112 5.880 1.994 456 H SER 60 H SER 60 9.853 8.774 -2.885 457 HA SER 60 HA SER 60 9.399 5.882 -3.223 458 1HB SER 60 1HB SER 60 10.391 7.873 -5.286 459 2HB SER 60 2HB SER 60 10.156 6.145 -5.549 460 HG SER 60 HG SER 60 8.347 8.160 -5.651 461 H GLU 61 H GLU 61 11.134 4.577 -2.893 462 HA GLU 61 HA GLU 61 13.775 5.839 -2.661 463 1HB GLU 61 1HB GLU 61 14.198 4.560 -0.581 464 2HB GLU 61 2HB GLU 61 12.921 5.753 -0.403 465 1HG GLU 61 1HG GLU 61 11.244 3.985 -0.639 466 2HG GLU 61 2HG GLU 61 12.533 2.793 -0.796 467 H LYS 62 H LYS 62 15.440 3.960 -2.167 468 HA LYS 62 HA LYS 62 15.468 2.248 -4.410 469 1HB LYS 62 1HB LYS 62 17.115 2.353 -1.891 470 2HB LYS 62 2HB LYS 62 17.376 1.119 -3.115 471 1HG LYS 62 1HG LYS 62 17.829 2.855 -4.772 472 2HG LYS 62 2HG LYS 62 17.573 4.093 -3.540 473 1HD LYS 62 1HD LYS 62 19.471 3.364 -2.300 474 2HD LYS 62 2HD LYS 62 19.635 1.912 -3.291 475 1HE LYS 62 1HE LYS 62 19.986 4.746 -4.264 476 2HE LYS 62 2HE LYS 62 21.296 3.638 -3.863 477 1HZ LYS 62 1HZ LYS 62 19.315 3.344 -6.052 478 2HZ LYS 62 2HZ LYS 62 20.981 3.598 -6.205 479 3HZ LYS 62 3HZ LYS 62 20.401 2.126 -5.597 480 H ALA 63 H ALA 63 15.330 -0.034 -4.504 481 HA ALA 63 HA ALA 63 13.487 -1.087 -2.459 482 1HB ALA 63 1HB ALA 63 12.366 -0.563 -4.567 483 2HB ALA 63 2HB ALA 63 13.469 -1.646 -5.417 484 3HB ALA 63 3HB ALA 63 12.342 -2.294 -4.226 485 HA PRO 64 HA PRO 64 16.504 -4.403 -2.035 486 1HB PRO 64 1HB PRO 64 14.350 -5.574 -0.393 487 2HB PRO 64 2HB PRO 64 16.013 -5.183 0.053 488 1HG PRO 64 1HG PRO 64 13.945 -3.743 0.964 489 2HG PRO 64 2HG PRO 64 15.503 -2.991 0.570 490 1HD PRO 64 1HD PRO 64 12.965 -3.043 -1.023 491 2HD PRO 64 2HD PRO 64 14.106 -1.706 -0.765 492 H ASP 65 H ASP 65 16.559 -6.626 -2.649 493 HA ASP 65 HA ASP 65 15.269 -7.234 -5.010 494 1HB ASP 65 1HB ASP 65 16.426 -9.194 -3.020 495 2HB ASP 65 2HB ASP 65 16.141 -9.496 -4.725 496 H GLU 66 H GLU 66 14.399 -8.080 -1.728 497 HA GLU 66 HA GLU 66 12.477 -10.023 -2.144 498 1HB GLU 66 1HB GLU 66 13.297 -9.497 0.051 499 2HB GLU 66 2HB GLU 66 12.655 -7.866 -0.045 500 1HG GLU 66 1HG GLU 66 10.391 -8.729 -0.002 501 2HG GLU 66 2HG GLU 66 11.008 -10.383 0.019 502 H VAL 67 H VAL 67 11.911 -6.496 -1.874 503 HA VAL 67 HA VAL 67 9.114 -6.799 -2.346 504 HB VAL 67 HB VAL 67 8.969 -4.383 -2.404 505 1HG1 VAL 67 1HG1 VAL 67 9.910 -3.875 -0.196 506 2HG1 VAL 67 2HG1 VAL 67 9.098 -5.441 -0.229 507 3HG1 VAL 67 3HG1 VAL 67 10.859 -5.359 -0.271 508 1HG2 VAL 67 1HG2 VAL 67 11.985 -4.392 -2.385 509 2HG2 VAL 67 2HG2 VAL 67 10.948 -3.873 -3.714 510 3HG2 VAL 67 3HG2 VAL 67 10.960 -2.968 -2.201 511 H ILE 68 H ILE 68 11.881 -6.347 -4.383 512 HA ILE 68 HA ILE 68 10.688 -5.373 -6.714 513 HB ILE 68 HB ILE 68 12.916 -7.416 -6.511 514 1HG1 ILE 68 1HG1 ILE 68 13.464 -5.361 -5.308 515 2HG1 ILE 68 2HG1 ILE 68 14.428 -5.489 -6.777 516 1HG2 ILE 68 1HG2 ILE 68 12.119 -5.623 -8.801 517 2HG2 ILE 68 2HG2 ILE 68 13.550 -6.652 -8.757 518 3HG2 ILE 68 3HG2 ILE 68 11.942 -7.377 -8.733 519 1HD1 ILE 68 1HD1 ILE 68 12.906 -3.923 -7.889 520 2HD1 ILE 68 2HD1 ILE 68 11.991 -3.771 -6.387 521 3HD1 ILE 68 3HD1 ILE 68 13.667 -3.227 -6.459 522 H GLU 69 H GLU 69 11.152 -8.706 -5.613 523 HA GLU 69 HA GLU 69 9.850 -9.944 -7.786 524 1HB GLU 69 1HB GLU 69 10.192 -10.958 -4.957 525 2HB GLU 69 2HB GLU 69 9.807 -11.938 -6.364 526 1HG GLU 69 1HG GLU 69 12.352 -10.389 -5.942 527 2HG GLU 69 2HG GLU 69 12.153 -12.129 -5.738 528 H ALA 70 H ALA 70 8.739 -8.983 -4.567 529 HA ALA 70 HA ALA 70 6.197 -10.114 -4.635 530 1HB ALA 70 1HB ALA 70 7.248 -9.213 -2.614 531 2HB ALA 70 2HB ALA 70 7.028 -7.577 -3.236 532 3HB ALA 70 3HB ALA 70 5.623 -8.571 -2.854 533 H ILE 71 H ILE 71 7.133 -6.770 -5.491 534 HA ILE 71 HA ILE 71 4.476 -6.035 -6.223 535 HB ILE 71 HB ILE 71 7.060 -4.653 -6.964 536 1HG1 ILE 71 1HG1 ILE 71 5.226 -4.175 -4.603 537 2HG1 ILE 71 2HG1 ILE 71 6.787 -4.986 -4.518 538 1HG2 ILE 71 1HG2 ILE 71 4.224 -3.628 -6.836 539 2HG2 ILE 71 2HG2 ILE 71 5.654 -2.653 -7.175 540 3HG2 ILE 71 3HG2 ILE 71 5.160 -3.915 -8.303 541 1HD1 ILE 71 1HD1 ILE 71 7.884 -2.937 -5.264 542 2HD1 ILE 71 2HD1 ILE 71 6.318 -2.129 -5.332 543 3HD1 ILE 71 3HD1 ILE 71 6.955 -2.686 -3.785 544 H LYS 72 H LYS 72 7.223 -7.319 -7.963 545 HA LYS 72 HA LYS 72 6.270 -6.805 -10.581 546 1HB LYS 72 1HB LYS 72 8.572 -7.267 -10.327 547 2HB LYS 72 2HB LYS 72 8.263 -8.742 -9.429 548 1HG LYS 72 1HG LYS 72 7.460 -9.831 -11.439 549 2HG LYS 72 2HG LYS 72 7.680 -8.337 -12.354 550 1HD LYS 72 1HD LYS 72 9.527 -10.007 -12.628 551 2HD LYS 72 2HD LYS 72 10.051 -8.421 -12.059 552 1HE LYS 72 1HE LYS 72 10.100 -9.271 -9.760 553 2HE LYS 72 2HE LYS 72 9.588 -10.855 -10.338 554 1HZ LYS 72 1HZ LYS 72 12.061 -9.542 -11.305 555 2HZ LYS 72 2HZ LYS 72 12.038 -10.541 -9.931 556 3HZ LYS 72 3HZ LYS 72 11.610 -11.174 -11.446 557 H GLN 73 H GLN 73 5.725 -9.395 -8.289 558 HA GLN 73 HA GLN 73 4.393 -11.032 -10.289 559 1HB GLN 73 1HB GLN 73 5.021 -11.506 -7.375 560 2HB GLN 73 2HB GLN 73 4.187 -12.666 -8.402 561 1HG GLN 73 1HG GLN 73 6.089 -12.974 -9.768 562 2HG GLN 73 2HG GLN 73 6.905 -11.577 -9.067 563 1HE2 GLN 73 2HE2 GLN 73 7.738 -14.384 -9.284 564 2HE2 GLN 73 1HE2 GLN 73 8.105 -14.882 -7.669 565 H ASN 74 H ASN 74 3.542 -9.346 -7.260 566 HA ASN 74 HA ASN 74 0.751 -10.154 -7.647 567 1HB ASN 74 1HB ASN 74 2.214 -8.944 -5.308 568 2HB ASN 74 2HB ASN 74 0.460 -9.086 -5.346 569 1HD2 ASN 74 2HD2 ASN 74 3.471 -10.786 -5.115 570 2HD2 ASN 74 1HD2 ASN 74 2.809 -12.319 -4.644 571 H GLY 75 H GLY 75 2.757 -7.442 -8.144 572 1HA GLY 75 1HA GLY 75 2.047 -5.503 -9.299 573 2HA GLY 75 2HA GLY 75 0.403 -5.814 -8.761 574 H TYR 76 H TYR 76 1.302 -6.276 -5.989 575 HA TYR 76 HA TYR 76 2.457 -3.798 -5.101 576 1HB TYR 76 1HB TYR 76 0.483 -3.133 -3.736 577 2HB TYR 76 2HB TYR 76 0.199 -3.009 -5.467 578 HD1 TYR 76 HD1 TYR 76 -0.659 -4.825 -2.398 579 HD2 TYR 76 HD2 TYR 76 -1.403 -4.466 -6.570 580 HE1 TYR 76 HE1 TYR 76 -2.691 -6.182 -2.146 581 HE2 TYR 76 HE2 TYR 76 -3.438 -5.827 -6.327 582 HH TYR 76 HH TYR 76 -4.439 -7.416 -4.855 583 H PHE 77 H PHE 77 2.805 -3.770 -2.783 584 HA PHE 77 HA PHE 77 2.350 -6.318 -1.411 585 1HB PHE 77 1HB PHE 77 4.615 -6.456 -2.344 586 2HB PHE 77 2HB PHE 77 5.032 -4.922 -1.591 587 HD1 PHE 77 HD1 PHE 77 5.912 -4.866 0.563 588 HD2 PHE 77 HD2 PHE 77 3.962 -8.390 -0.811 589 HE1 PHE 77 HE1 PHE 77 6.651 -6.057 2.584 590 HE2 PHE 77 HE2 PHE 77 4.699 -9.589 1.208 591 HZ PHE 77 HZ PHE 77 6.043 -8.422 2.908 592 H ILE 78 H ILE 78 1.438 -5.931 0.494 593 HA ILE 78 HA ILE 78 1.716 -3.274 1.690 594 HB ILE 78 HB ILE 78 -0.249 -5.513 2.146 595 1HG1 ILE 78 1HG1 ILE 78 -1.868 -3.571 1.792 596 2HG1 ILE 78 2HG1 ILE 78 -0.472 -2.635 1.274 597 1HG2 ILE 78 1HG2 ILE 78 0.397 -4.721 4.347 598 2HG2 ILE 78 2HG2 ILE 78 0.079 -3.056 3.858 599 3HG2 ILE 78 3HG2 ILE 78 -1.248 -4.215 3.958 600 1HD1 ILE 78 1HD1 ILE 78 -0.074 -4.231 -0.525 601 2HD1 ILE 78 2HD1 ILE 78 -1.480 -5.159 -0.006 602 3HD1 ILE 78 3HD1 ILE 78 -1.685 -3.520 -0.620 603 H TYR 79 H TYR 79 2.925 -2.930 3.449 604 HA TYR 79 HA TYR 79 3.912 -5.280 4.920 605 1HB TYR 79 1HB TYR 79 5.705 -3.954 3.947 606 2HB TYR 79 2HB TYR 79 5.064 -2.489 4.683 607 HD1 TYR 79 HD1 TYR 79 5.659 -1.879 6.883 608 HD2 TYR 79 HD2 TYR 79 6.624 -5.767 5.449 609 HE1 TYR 79 HE1 TYR 79 7.036 -2.268 8.880 610 HE2 TYR 79 HE2 TYR 79 8.006 -6.163 7.443 611 HH TYR 79 HH TYR 79 9.262 -4.738 9.126 612 H LYS 80 H LYS 80 3.396 -5.530 7.029 613 HA LYS 80 HA LYS 80 1.509 -3.718 8.232 614 1HB LYS 80 1HB LYS 80 2.859 -6.240 9.158 615 2HB LYS 80 2HB LYS 80 1.967 -5.242 10.291 616 1HG LYS 80 1HG LYS 80 0.576 -7.041 9.537 617 2HG LYS 80 2HG LYS 80 -0.052 -5.521 8.905 618 1HD LYS 80 1HD LYS 80 0.533 -6.026 6.737 619 2HD LYS 80 2HD LYS 80 1.827 -7.122 7.230 620 1HE LYS 80 1HE LYS 80 -0.135 -8.277 6.235 621 2HE LYS 80 2HE LYS 80 0.242 -8.802 7.873 622 1HZ LYS 80 1HZ LYS 80 -2.132 -8.506 7.573 623 2HZ LYS 80 2HZ LYS 80 -1.543 -7.387 8.696 624 3HZ LYS 80 3HZ LYS 80 -1.902 -6.894 7.121 625 H MET 81 H MET 81 2.650 -1.761 8.347 626 HA MET 81 HA MET 81 5.133 -1.468 9.671 627 1HB MET 81 1HB MET 81 4.257 0.211 8.103 628 2HB MET 81 2HB MET 81 2.945 0.570 9.216 629 1HG MET 81 1HG MET 81 4.622 1.298 10.884 630 2HG MET 81 2HG MET 81 5.880 1.047 9.677 631 1HE MET 81 1HE MET 81 5.977 2.404 7.360 632 2HE MET 81 2HE MET 81 4.823 3.667 6.928 633 3HE MET 81 3HE MET 81 4.294 1.988 7.033 634 H GLU 82 H GLU 82 1.929 -0.339 10.758 635 HA GLU 82 HA GLU 82 2.821 -0.716 13.524 636 1HB GLU 82 1HB GLU 82 1.368 1.324 12.282 637 2HB GLU 82 2HB GLU 82 0.175 0.437 13.221 638 1HG GLU 82 1HG GLU 82 2.740 1.594 14.290 639 2HG GLU 82 2HG GLU 82 1.135 2.299 14.475 640 H GLY 83 H GLY 83 1.381 -1.747 15.045 641 1HA GLY 83 1HA GLY 83 -0.240 -3.337 15.632 642 2HA GLY 83 2HA GLY 83 -0.654 -3.514 13.930 643 H CYS 84 H CYS 84 2.658 -3.579 14.475 644 HA CYS 84 HA CYS 84 2.785 -6.371 13.776 645 1HB CYS 84 1HB CYS 84 5.306 -5.866 13.850 646 2HB CYS 84 2HB CYS 84 4.343 -5.059 12.617 647 HG CYS 84 HG CYS 84 4.869 -2.634 13.310 648 H ASN 85 H ASN 85 3.727 -4.339 16.523 649 HA ASN 85 HA ASN 85 3.337 -6.490 18.349 650 1HB ASN 85 1HB ASN 85 5.578 -6.710 19.213 651 2HB ASN 85 2HB ASN 85 5.617 -7.042 17.487 652 1HD2 ASN 85 2HD2 ASN 85 7.694 -6.178 19.383 653 2HD2 ASN 85 1HD2 ASN 85 8.375 -4.740 18.693 Start of MODEL 2 1 H MET 1 H MET 1 15.158 1.058 -10.485 2 HA MET 1 HA MET 1 12.248 1.590 -10.491 3 1HB MET 1 1HB MET 1 13.273 -0.676 -11.298 4 2HB MET 1 2HB MET 1 13.600 -0.937 -9.592 5 1HG MET 1 1HG MET 1 10.885 -0.427 -10.792 6 2HG MET 1 2HG MET 1 11.522 -2.002 -10.324 7 1HE MET 1 1HE MET 1 8.728 -1.272 -7.654 8 2HE MET 1 2HE MET 1 9.299 -2.397 -8.889 9 3HE MET 1 3HE MET 1 8.714 -0.800 -9.354 10 H GLN 2 H GLN 2 11.612 2.562 -8.737 11 HA GLN 2 HA GLN 2 12.824 1.848 -6.174 12 1HB GLN 2 1HB GLN 2 12.605 4.233 -5.447 13 2HB GLN 2 2HB GLN 2 13.828 3.975 -6.679 14 1HG GLN 2 1HG GLN 2 11.058 4.920 -7.347 15 2HG GLN 2 2HG GLN 2 12.346 6.030 -6.893 16 1HE2 GLN 2 2HE2 GLN 2 14.117 6.293 -8.284 17 2HE2 GLN 2 1HE2 GLN 2 14.038 5.822 -9.948 18 H ILE 3 H ILE 3 11.361 1.922 -4.415 19 HA ILE 3 HA ILE 3 8.694 1.306 -5.316 20 HB ILE 3 HB ILE 3 8.266 0.810 -2.871 21 1HG1 ILE 3 1HG1 ILE 3 11.270 1.163 -2.729 22 2HG1 ILE 3 2HG1 ILE 3 10.075 2.170 -1.918 23 1HG2 ILE 3 1HG2 ILE 3 10.430 -0.681 -4.332 24 2HG2 ILE 3 2HG2 ILE 3 9.488 -1.315 -2.982 25 3HG2 ILE 3 3HG2 ILE 3 8.690 -0.910 -4.501 26 1HD1 ILE 3 1HD1 ILE 3 11.093 0.586 -0.385 27 2HD1 ILE 3 2HD1 ILE 3 9.371 0.259 -0.579 28 3HD1 ILE 3 3HD1 ILE 3 10.558 -0.754 -1.400 29 H HIS 4 H HIS 4 6.960 2.466 -5.172 30 HA HIS 4 HA HIS 4 7.123 5.133 -4.017 31 1HB HIS 4 1HB HIS 4 4.822 3.845 -5.523 32 2HB HIS 4 2HB HIS 4 5.009 5.555 -5.149 33 HD1 HIS 4 HD1 HIS 4 5.917 6.920 -7.032 34 HD2 HIS 4 HD2 HIS 4 7.072 2.929 -7.296 35 HE1 HIS 4 HE1 HIS 4 7.212 6.720 -9.180 36 HE2 HIS 4 HE2 HIS 4 8.019 4.331 -9.250 37 H VAL 5 H VAL 5 6.784 5.220 -1.916 38 HA VAL 5 HA VAL 5 5.384 3.064 -0.570 39 HB VAL 5 HB VAL 5 6.774 5.469 0.624 40 1HG1 VAL 5 1HG1 VAL 5 6.886 4.094 2.653 41 2HG1 VAL 5 2HG1 VAL 5 5.224 4.410 2.157 42 3HG1 VAL 5 3HG1 VAL 5 5.954 2.836 1.841 43 1HG2 VAL 5 1HG2 VAL 5 7.860 2.704 0.104 44 2HG2 VAL 5 2HG2 VAL 5 8.330 4.180 -0.737 45 3HG2 VAL 5 3HG2 VAL 5 8.692 3.990 0.978 46 H TYR 6 H TYR 6 3.290 3.178 -0.122 47 HA TYR 6 HA TYR 6 2.089 5.834 0.232 48 1HB TYR 6 1HB TYR 6 0.822 3.193 -0.494 49 2HB TYR 6 2HB TYR 6 -0.093 4.657 -0.140 50 HD1 TYR 6 HD1 TYR 6 2.120 2.996 -2.532 51 HD2 TYR 6 HD2 TYR 6 -0.095 6.527 -1.687 52 HE1 TYR 6 HE1 TYR 6 2.404 3.725 -4.859 53 HE2 TYR 6 HE2 TYR 6 0.180 7.263 -4.016 54 HH TYR 6 HH TYR 6 1.359 5.185 -6.463 55 H ASP 7 H ASP 7 1.814 6.462 2.168 56 HA ASP 7 HA ASP 7 1.866 4.698 4.444 57 1HB ASP 7 1HB ASP 7 3.002 6.823 4.604 58 2HB ASP 7 2HB ASP 7 1.551 7.692 4.122 59 H THR 8 H THR 8 0.054 3.529 4.746 60 HA THR 8 HA THR 8 -2.528 4.833 4.204 61 HB THR 8 HB THR 8 -2.025 1.862 4.376 62 HG1 THR 8 HG1 THR 8 -0.835 3.053 2.648 63 1HG2 THR 8 1HG2 THR 8 -4.358 2.571 4.635 64 2HG2 THR 8 2HG2 THR 8 -4.253 3.483 3.129 65 3HG2 THR 8 3HG2 THR 8 -4.121 1.726 3.105 66 H TYR 9 H TYR 9 -3.583 5.467 5.939 67 HA TYR 9 HA TYR 9 -3.352 3.944 8.438 68 1HB TYR 9 1HB TYR 9 -4.123 6.754 7.773 69 2HB TYR 9 2HB TYR 9 -4.806 6.019 9.219 70 HD1 TYR 9 HD1 TYR 9 -3.610 6.040 11.205 71 HD2 TYR 9 HD2 TYR 9 -1.539 6.699 7.550 72 HE1 TYR 9 HE1 TYR 9 -1.571 6.576 12.466 73 HE2 TYR 9 HE2 TYR 9 0.508 7.238 8.802 74 HH TYR 9 HH TYR 9 1.128 8.050 11.070 75 H VAL 10 H VAL 10 -4.775 2.320 8.492 76 HA VAL 10 HA VAL 10 -7.532 2.851 7.594 77 HB VAL 10 HB VAL 10 -6.216 0.185 8.155 78 1HG1 VAL 10 1HG1 VAL 10 -8.198 -0.772 7.079 79 2HG1 VAL 10 2HG1 VAL 10 -8.626 0.152 8.518 80 3HG1 VAL 10 3HG1 VAL 10 -8.889 0.842 6.917 81 1HG2 VAL 10 1HG2 VAL 10 -5.234 1.251 6.198 82 2HG2 VAL 10 2HG2 VAL 10 -6.227 -0.127 5.724 83 3HG2 VAL 10 3HG2 VAL 10 -6.841 1.513 5.519 84 H LYS 11 H LYS 11 -8.754 3.510 9.229 85 HA LYS 11 HA LYS 11 -8.121 2.681 11.939 86 1HB LYS 11 1HB LYS 11 -10.278 4.571 10.986 87 2HB LYS 11 2HB LYS 11 -9.694 4.382 12.634 88 1HG LYS 11 1HG LYS 11 -7.517 5.242 11.991 89 2HG LYS 11 2HG LYS 11 -8.051 5.381 10.316 90 1HD LYS 11 1HD LYS 11 -8.168 7.549 11.332 91 2HD LYS 11 2HD LYS 11 -9.814 6.966 11.076 92 1HE LYS 11 1HE LYS 11 -9.879 6.238 13.439 93 2HE LYS 11 2HE LYS 11 -8.274 6.929 13.668 94 1HZ LYS 11 1HZ LYS 11 -9.996 8.444 14.406 95 2HZ LYS 11 2HZ LYS 11 -9.165 9.099 13.081 96 3HZ LYS 11 3HZ LYS 11 -10.710 8.429 12.871 97 H ALA 12 H ALA 12 -8.756 0.591 12.127 98 HA ALA 12 HA ALA 12 -11.364 -0.283 11.235 99 1HB ALA 12 1HB ALA 12 -9.440 -1.778 11.058 100 2HB ALA 12 2HB ALA 12 -9.235 -1.732 12.809 101 3HB ALA 12 3HB ALA 12 -10.678 -2.466 12.109 102 H LYS 13 H LYS 13 -12.982 -1.167 12.645 103 HA LYS 13 HA LYS 13 -13.727 0.476 14.752 104 1HB LYS 13 1HB LYS 13 -14.483 -2.370 14.116 105 2HB LYS 13 2HB LYS 13 -15.199 -1.494 15.456 106 1HG LYS 13 1HG LYS 13 -16.104 0.155 13.913 107 2HG LYS 13 2HG LYS 13 -15.353 -0.696 12.557 108 1HD LYS 13 1HD LYS 13 -16.709 -2.627 12.919 109 2HD LYS 13 2HD LYS 13 -17.310 -1.990 14.449 110 1HE LYS 13 1HE LYS 13 -17.829 -0.784 11.734 111 2HE LYS 13 2HE LYS 13 -18.955 -1.807 12.624 112 1HZ LYS 13 1HZ LYS 13 -17.936 0.848 13.488 113 2HZ LYS 13 2HZ LYS 13 -19.502 0.502 12.948 114 3HZ LYS 13 3HZ LYS 13 -18.952 -0.149 14.410 115 H ASP 14 H ASP 14 -12.668 -2.894 15.115 116 HA ASP 14 HA ASP 14 -11.596 -2.197 17.778 117 1HB ASP 14 1HB ASP 14 -12.938 -4.813 17.057 118 2HB ASP 14 2HB ASP 14 -12.421 -4.284 18.654 119 H GLY 15 H GLY 15 -10.662 -2.816 14.860 120 1HA GLY 15 1HA GLY 15 -8.768 -4.967 15.479 121 2HA GLY 15 2HA GLY 15 -9.155 -4.369 13.872 122 H HIS 16 H HIS 16 -8.747 -1.916 16.163 123 HA HIS 16 HA HIS 16 -7.076 -0.479 16.733 124 1HB HIS 16 1HB HIS 16 -5.724 -2.542 17.116 125 2HB HIS 16 2HB HIS 16 -5.195 -2.471 15.443 126 HD1 HIS 16 HD1 HIS 16 -4.860 -0.624 18.708 127 HD2 HIS 16 HD2 HIS 16 -3.057 -0.814 14.966 128 HE1 HIS 16 HE1 HIS 16 -2.730 0.701 18.912 129 HE2 HIS 16 HE2 HIS 16 -1.586 0.451 16.677 130 H VAL 17 H VAL 17 -5.952 1.281 15.768 131 HA VAL 17 HA VAL 17 -6.568 1.798 13.034 132 HB VAL 17 HB VAL 17 -4.630 3.252 14.853 133 1HG1 VAL 17 1HG1 VAL 17 -4.840 5.112 13.265 134 2HG1 VAL 17 2HG1 VAL 17 -4.137 3.684 12.505 135 3HG1 VAL 17 3HG1 VAL 17 -5.828 4.097 12.213 136 1HG2 VAL 17 1HG2 VAL 17 -7.505 3.836 14.144 137 2HG2 VAL 17 2HG2 VAL 17 -6.903 3.295 15.711 138 3HG2 VAL 17 3HG2 VAL 17 -6.455 4.886 15.095 139 H MET 18 H MET 18 -5.689 0.612 11.521 140 HA MET 18 HA MET 18 -3.024 -0.510 11.835 141 1HB MET 18 1HB MET 18 -5.166 -0.929 9.737 142 2HB MET 18 2HB MET 18 -3.648 -1.812 9.817 143 1HG MET 18 1HG MET 18 -5.518 -1.811 12.148 144 2HG MET 18 2HG MET 18 -5.797 -2.880 10.773 145 1HE MET 18 1HE MET 18 -2.717 -5.176 10.743 146 2HE MET 18 2HE MET 18 -3.061 -3.746 9.768 147 3HE MET 18 3HE MET 18 -4.347 -4.897 10.131 148 H HIS 19 H HIS 19 -1.442 0.899 11.285 149 HA HIS 19 HA HIS 19 -1.720 2.163 8.643 150 1HB HIS 19 1HB HIS 19 0.032 3.807 9.393 151 2HB HIS 19 2HB HIS 19 -1.526 3.952 10.187 152 HD1 HIS 19 HD1 HIS 19 2.066 3.303 10.836 153 HD2 HIS 19 HD2 HIS 19 -1.528 3.242 12.928 154 HE1 HIS 19 HE1 HIS 19 2.696 3.278 13.271 155 HE2 HIS 19 HE2 HIS 19 0.504 3.393 14.516 156 H PHE 20 H PHE 20 -0.400 1.584 7.107 157 HA PHE 20 HA PHE 20 2.057 0.149 7.736 158 1HB PHE 20 1HB PHE 20 1.352 -1.682 6.118 159 2HB PHE 20 2HB PHE 20 0.551 -1.681 7.683 160 HD1 PHE 20 HD1 PHE 20 -1.794 -1.161 7.881 161 HD2 PHE 20 HD2 PHE 20 0.143 -1.096 4.092 162 HE1 PHE 20 HE1 PHE 20 -3.985 -1.135 6.765 163 HE2 PHE 20 HE2 PHE 20 -2.047 -1.068 2.971 164 HZ PHE 20 HZ PHE 20 -4.115 -1.088 4.307 165 H ASP 21 H ASP 21 3.154 -0.518 5.594 166 HA ASP 21 HA ASP 21 3.109 1.862 3.869 167 1HB ASP 21 1HB ASP 21 5.281 -0.208 4.298 168 2HB ASP 21 2HB ASP 21 5.403 1.175 3.219 169 H VAL 22 H VAL 22 2.030 1.565 2.014 170 HA VAL 22 HA VAL 22 1.991 -1.084 0.786 171 HB VAL 22 HB VAL 22 0.637 1.472 -0.101 172 1HG1 VAL 22 1HG1 VAL 22 -0.641 0.038 -1.621 173 2HG1 VAL 22 2HG1 VAL 22 1.084 -0.012 -1.984 174 3HG1 VAL 22 3HG1 VAL 22 0.324 -1.350 -1.122 175 1HG2 VAL 22 1HG2 VAL 22 -1.419 0.418 0.692 176 2HG2 VAL 22 2HG2 VAL 22 -0.490 -0.969 1.261 177 3HG2 VAL 22 3HG2 VAL 22 -0.253 0.614 2.002 178 H PHE 23 H PHE 23 3.680 -1.619 -0.414 179 HA PHE 23 HA PHE 23 5.169 0.472 -1.822 180 1HB PHE 23 1HB PHE 23 5.815 -2.458 -1.410 181 2HB PHE 23 2HB PHE 23 6.851 -1.299 -2.232 182 HD1 PHE 23 HD1 PHE 23 6.491 1.033 -0.366 183 HD2 PHE 23 HD2 PHE 23 7.168 -3.102 0.369 184 HE1 PHE 23 HE1 PHE 23 7.574 1.592 1.772 185 HE2 PHE 23 HE2 PHE 23 8.247 -2.549 2.509 186 HZ PHE 23 HZ PHE 23 8.452 -0.200 3.213 187 H THR 24 H THR 24 4.626 0.899 -3.862 188 HA THR 24 HA THR 24 4.322 -1.333 -5.690 189 HB THR 24 HB THR 24 2.000 -0.905 -4.970 190 HG1 THR 24 HG1 THR 24 1.782 -1.585 -6.970 191 1HG2 THR 24 1HG2 THR 24 2.197 1.481 -4.455 192 2HG2 THR 24 2HG2 THR 24 2.402 1.838 -6.170 193 3HG2 THR 24 3HG2 THR 24 0.876 1.175 -5.582 194 H ASP 25 H ASP 25 3.969 -0.375 -7.997 195 HA ASP 25 HA ASP 25 6.046 1.662 -8.334 196 1HB ASP 25 1HB ASP 25 6.314 -0.478 -9.539 197 2HB ASP 25 2HB ASP 25 4.779 -0.206 -10.355 198 H VAL 26 H VAL 26 2.675 1.054 -8.836 199 HA VAL 26 HA VAL 26 2.195 3.078 -10.772 200 HB VAL 26 HB VAL 26 0.215 1.816 -8.866 201 1HG1 VAL 26 1HG1 VAL 26 -0.182 3.184 -11.526 202 2HG1 VAL 26 2HG1 VAL 26 -1.442 2.390 -10.581 203 3HG1 VAL 26 3HG1 VAL 26 -0.636 3.826 -9.947 204 1HG2 VAL 26 1HG2 VAL 26 1.410 0.101 -10.117 205 2HG2 VAL 26 2HG2 VAL 26 -0.257 0.233 -10.678 206 3HG2 VAL 26 3HG2 VAL 26 1.051 0.936 -11.628 207 H ARG 27 H ARG 27 2.133 5.197 -10.480 208 HA ARG 27 HA ARG 27 1.756 6.224 -7.756 209 1HB ARG 27 1HB ARG 27 2.621 8.402 -8.785 210 2HB ARG 27 2HB ARG 27 3.774 7.097 -8.559 211 1HG ARG 27 1HG ARG 27 3.630 6.533 -10.917 212 2HG ARG 27 2HG ARG 27 2.418 7.795 -11.158 213 1HD ARG 27 1HD ARG 27 3.998 9.507 -10.606 214 2HD ARG 27 2HD ARG 27 5.197 8.312 -10.114 215 HE ARG 27 HE ARG 27 5.368 7.654 -12.458 216 1HH1 ARG 27 1HH1 ARG 27 3.847 10.738 -11.748 217 2HH1 ARG 27 2HH1 ARG 27 4.185 11.398 -13.324 218 1HH2 ARG 27 1HH2 ARG 27 5.828 8.557 -14.515 219 2HH2 ARG 27 2HH2 ARG 27 5.309 10.175 -14.875 220 H ASP 28 H ASP 28 -0.510 5.505 -8.315 221 HA ASP 28 HA ASP 28 -1.984 7.780 -9.467 222 1HB ASP 28 1HB ASP 28 -2.142 5.795 -10.926 223 2HB ASP 28 2HB ASP 28 -2.754 4.852 -9.572 224 H ASP 29 H ASP 29 -3.486 8.657 -8.201 225 HA ASP 29 HA ASP 29 -3.529 8.326 -5.478 226 1HB ASP 29 1HB ASP 29 -4.399 10.322 -6.472 227 2HB ASP 29 2HB ASP 29 -5.641 9.424 -7.335 228 H LYS 30 H LYS 30 -6.164 7.236 -7.635 229 HA LYS 30 HA LYS 30 -7.473 5.954 -5.438 230 1HB LYS 30 1HB LYS 30 -8.766 7.039 -7.176 231 2HB LYS 30 2HB LYS 30 -8.089 5.965 -8.391 232 1HG LYS 30 1HG LYS 30 -9.242 4.088 -7.482 233 2HG LYS 30 2HG LYS 30 -9.756 5.019 -6.073 234 1HD LYS 30 1HD LYS 30 -11.118 6.450 -7.486 235 2HD LYS 30 2HD LYS 30 -10.557 5.594 -8.923 236 1HE LYS 30 1HE LYS 30 -12.817 4.901 -8.141 237 2HE LYS 30 2HE LYS 30 -11.650 3.583 -8.236 238 1HZ LYS 30 1HZ LYS 30 -12.092 5.015 -5.693 239 2HZ LYS 30 2HZ LYS 30 -13.135 3.770 -6.174 240 3HZ LYS 30 3HZ LYS 30 -11.486 3.449 -5.948 241 H LYS 31 H LYS 31 -5.491 4.890 -8.132 242 HA LYS 31 HA LYS 31 -6.161 2.168 -8.077 243 1HB LYS 31 1HB LYS 31 -4.827 3.406 -9.848 244 2HB LYS 31 2HB LYS 31 -3.438 3.250 -8.782 245 1HG LYS 31 1HG LYS 31 -3.443 1.519 -10.492 246 2HG LYS 31 2HG LYS 31 -3.620 0.822 -8.879 247 1HD LYS 31 1HD LYS 31 -6.002 0.575 -9.206 248 2HD LYS 31 2HD LYS 31 -5.902 1.387 -10.769 249 1HE LYS 31 1HE LYS 31 -4.583 -1.231 -10.060 250 2HE LYS 31 2HE LYS 31 -6.065 -1.052 -10.996 251 1HZ LYS 31 1HZ LYS 31 -4.572 -1.199 -12.671 252 2HZ LYS 31 2HZ LYS 31 -4.491 0.476 -12.436 253 3HZ LYS 31 3HZ LYS 31 -3.295 -0.538 -11.778 254 H ALA 32 H ALA 32 -3.629 3.954 -6.345 255 HA ALA 32 HA ALA 32 -2.441 1.700 -5.124 256 1HB ALA 32 1HB ALA 32 -1.362 3.292 -3.638 257 2HB ALA 32 2HB ALA 32 -1.331 3.881 -5.301 258 3HB ALA 32 3HB ALA 32 -2.485 4.554 -4.149 259 H ILE 33 H ILE 33 -5.009 3.891 -4.101 260 HA ILE 33 HA ILE 33 -5.327 2.880 -1.488 261 HB ILE 33 HB ILE 33 -7.442 4.154 -3.234 262 1HG1 ILE 33 1HG1 ILE 33 -5.538 5.451 -1.272 263 2HG1 ILE 33 2HG1 ILE 33 -5.377 5.525 -3.023 264 1HG2 ILE 33 1HG2 ILE 33 -8.306 3.014 -1.238 265 2HG2 ILE 33 2HG2 ILE 33 -7.226 3.976 -0.231 266 3HG2 ILE 33 3HG2 ILE 33 -8.516 4.762 -1.143 267 1HD1 ILE 33 1HD1 ILE 33 -7.517 6.702 -3.158 268 2HD1 ILE 33 2HD1 ILE 33 -7.649 6.646 -1.399 269 3HD1 ILE 33 3HD1 ILE 33 -6.346 7.563 -2.159 270 H GLU 34 H GLU 34 -6.700 1.967 -4.596 271 HA GLU 34 HA GLU 34 -8.634 0.158 -3.622 272 1HB GLU 34 1HB GLU 34 -7.936 1.153 -6.097 273 2HB GLU 34 2HB GLU 34 -7.475 -0.539 -6.219 274 1HG GLU 34 1HG GLU 34 -9.700 -0.318 -7.022 275 2HG GLU 34 2HG GLU 34 -9.762 -1.155 -5.472 276 H PHE 35 H PHE 35 -5.220 -0.191 -4.440 277 HA PHE 35 HA PHE 35 -5.041 -2.992 -4.227 278 1HB PHE 35 1HB PHE 35 -2.987 -0.844 -3.673 279 2HB PHE 35 2HB PHE 35 -2.621 -2.564 -3.644 280 HD1 PHE 35 HD1 PHE 35 -1.856 0.027 -5.472 281 HD2 PHE 35 HD2 PHE 35 -4.083 -3.565 -5.967 282 HE1 PHE 35 HE1 PHE 35 -1.405 0.086 -7.890 283 HE2 PHE 35 HE2 PHE 35 -3.636 -3.512 -8.385 284 HZ PHE 35 HZ PHE 35 -2.295 -1.686 -9.349 285 H ALA 36 H ALA 36 -4.777 -0.423 -1.817 286 HA ALA 36 HA ALA 36 -4.065 -2.056 0.369 287 1HB ALA 36 1HB ALA 36 -4.755 -0.172 1.764 288 2HB ALA 36 2HB ALA 36 -3.788 0.368 0.391 289 3HB ALA 36 3HB ALA 36 -5.539 0.576 0.373 290 H LYS 37 H LYS 37 -7.201 -1.079 -0.940 291 HA LYS 37 HA LYS 37 -8.786 -2.112 1.153 292 1HB LYS 37 1HB LYS 37 -9.462 -1.734 -1.765 293 2HB LYS 37 2HB LYS 37 -10.632 -2.087 -0.501 294 1HG LYS 37 1HG LYS 37 -10.026 0.012 0.614 295 2HG LYS 37 2HG LYS 37 -8.913 0.371 -0.710 296 1HD LYS 37 1HD LYS 37 -10.867 0.152 -2.273 297 2HD LYS 37 2HD LYS 37 -11.905 0.074 -0.849 298 1HE LYS 37 1HE LYS 37 -11.378 2.269 -0.213 299 2HE LYS 37 2HE LYS 37 -9.994 2.337 -1.303 300 1HZ LYS 37 1HZ LYS 37 -11.906 3.581 -2.148 301 2HZ LYS 37 2HZ LYS 37 -11.478 2.303 -3.182 302 3HZ LYS 37 3HZ LYS 37 -12.832 2.158 -2.169 303 H GLN 38 H GLN 38 -7.410 -3.588 -1.721 304 HA GLN 38 HA GLN 38 -8.806 -6.014 -1.692 305 1HB GLN 38 1HB GLN 38 -5.936 -5.491 -2.489 306 2HB GLN 38 2HB GLN 38 -6.815 -6.972 -2.837 307 1HG GLN 38 1HG GLN 38 -8.451 -5.619 -4.132 308 2HG GLN 38 2HG GLN 38 -7.409 -4.217 -3.885 309 1HE2 GLN 38 2HE2 GLN 38 -7.011 -3.971 -6.072 310 2HE2 GLN 38 1HE2 GLN 38 -6.008 -5.061 -6.973 311 H TRP 39 H TRP 39 -5.925 -4.988 0.062 312 HA TRP 39 HA TRP 39 -5.445 -7.480 1.341 313 1HB TRP 39 1HB TRP 39 -3.749 -5.668 1.065 314 2HB TRP 39 2HB TRP 39 -4.634 -4.705 2.242 315 HD1 TRP 39 HD1 TRP 39 -2.756 -8.089 2.066 316 HE1 TRP 39 HE1 TRP 39 -1.711 -8.547 4.376 317 HE3 TRP 39 HE3 TRP 39 -4.643 -4.074 4.605 318 HZ2 TRP 39 HZ2 TRP 39 -1.693 -7.354 6.930 319 HZ3 TRP 39 HZ3 TRP 39 -4.059 -3.804 6.979 320 HH2 TRP 39 HH2 TRP 39 -2.615 -5.412 8.117 321 H LEU 40 H LEU 40 -7.114 -4.508 2.297 322 HA LEU 40 HA LEU 40 -7.841 -5.273 4.898 323 1HB LEU 40 1HB LEU 40 -9.274 -3.446 2.970 324 2HB LEU 40 2HB LEU 40 -9.610 -3.556 4.687 325 HG LEU 40 HG LEU 40 -6.986 -2.664 3.493 326 1HD1 LEU 40 1HD1 LEU 40 -8.793 -1.071 3.078 327 2HD1 LEU 40 2HD1 LEU 40 -9.184 -1.065 4.797 328 3HD1 LEU 40 3HD1 LEU 40 -7.630 -0.440 4.243 329 1HD2 LEU 40 1HD2 LEU 40 -7.975 -2.679 6.344 330 2HD2 LEU 40 2HD2 LEU 40 -6.735 -3.737 5.670 331 3HD2 LEU 40 3HD2 LEU 40 -6.446 -2.001 5.785 332 H SER 41 H SER 41 -9.454 -5.758 1.799 333 HA SER 41 HA SER 41 -11.842 -6.860 2.819 334 1HB SER 41 1HB SER 41 -11.348 -5.994 0.450 335 2HB SER 41 2HB SER 41 -10.618 -7.571 0.152 336 HG SER 41 HG SER 41 -13.300 -6.881 0.608 337 H SER 42 H SER 42 -8.695 -8.199 2.117 338 HA SER 42 HA SER 42 -9.500 -10.936 2.232 339 1HB SER 42 1HB SER 42 -6.750 -9.695 2.478 340 2HB SER 42 2HB SER 42 -7.085 -11.407 2.210 341 HG SER 42 HG SER 42 -7.433 -9.219 0.467 342 H ILE 43 H ILE 43 -8.480 -8.566 4.582 343 HA ILE 43 HA ILE 43 -8.268 -10.634 6.644 344 HB ILE 43 HB ILE 43 -7.432 -8.884 8.129 345 1HG1 ILE 43 1HG1 ILE 43 -7.724 -7.036 5.747 346 2HG1 ILE 43 2HG1 ILE 43 -8.729 -6.997 7.191 347 1HG2 ILE 43 1HG2 ILE 43 -5.319 -8.431 6.963 348 2HG2 ILE 43 2HG2 ILE 43 -5.848 -10.101 6.757 349 3HG2 ILE 43 3HG2 ILE 43 -6.059 -8.940 5.445 350 1HD1 ILE 43 1HD1 ILE 43 -7.032 -5.258 7.229 351 2HD1 ILE 43 2HD1 ILE 43 -6.791 -6.415 8.538 352 3HD1 ILE 43 3HD1 ILE 43 -5.767 -6.480 7.103 353 H GLY 44 H GLY 44 -10.648 -8.831 5.285 354 1HA GLY 44 1HA GLY 44 -12.895 -9.070 5.942 355 2HA GLY 44 2HA GLY 44 -12.358 -9.369 7.586 356 H GLU 45 H GLU 45 -10.579 -6.865 7.198 357 HA GLU 45 HA GLU 45 -12.501 -5.180 8.528 358 1HB GLU 45 1HB GLU 45 -9.542 -4.929 8.044 359 2HB GLU 45 2HB GLU 45 -10.483 -3.677 8.844 360 1HG GLU 45 1HG GLU 45 -10.117 -6.518 9.770 361 2HG GLU 45 2HG GLU 45 -9.394 -5.075 10.478 362 H GLU 46 H GLU 46 -12.716 -5.563 5.557 363 HA GLU 46 HA GLU 46 -12.243 -2.903 4.532 364 1HB GLU 46 1HB GLU 46 -12.167 -4.885 3.028 365 2HB GLU 46 2HB GLU 46 -13.884 -5.138 3.314 366 1HG GLU 46 1HG GLU 46 -14.272 -2.829 2.406 367 2HG GLU 46 2HG GLU 46 -12.578 -2.814 1.924 368 H GLY 47 H GLY 47 -13.401 -1.947 6.380 369 1HA GLY 47 1HA GLY 47 -16.165 -1.416 5.569 370 2HA GLY 47 2HA GLY 47 -15.891 -1.972 7.215 371 H ALA 48 H ALA 48 -13.379 -0.117 5.911 372 HA ALA 48 HA ALA 48 -14.263 2.220 7.464 373 1HB ALA 48 1HB ALA 48 -11.906 2.754 7.774 374 2HB ALA 48 2HB ALA 48 -12.253 1.125 8.354 375 3HB ALA 48 3HB ALA 48 -11.448 1.356 6.803 376 H THR 49 H THR 49 -13.830 4.304 6.587 377 HA THR 49 HA THR 49 -14.026 4.377 3.703 378 HB THR 49 HB THR 49 -13.785 6.782 5.508 379 HG1 THR 49 HG1 THR 49 -15.893 4.936 5.259 380 1HG2 THR 49 1HG2 THR 49 -13.735 7.177 3.091 381 2HG2 THR 49 2HG2 THR 49 -15.258 6.305 2.912 382 3HG2 THR 49 3HG2 THR 49 -15.211 7.823 3.809 383 H VAL 50 H VAL 50 -12.016 3.748 2.897 384 HA VAL 50 HA VAL 50 -9.656 5.214 3.837 385 HB VAL 50 HB VAL 50 -9.777 2.829 1.980 386 1HG1 VAL 50 1HG1 VAL 50 -7.763 4.158 1.685 387 2HG1 VAL 50 2HG1 VAL 50 -7.458 4.113 3.422 388 3HG1 VAL 50 3HG1 VAL 50 -7.378 2.628 2.473 389 1HG2 VAL 50 1HG2 VAL 50 -10.612 2.226 4.182 390 2HG2 VAL 50 2HG2 VAL 50 -9.018 1.518 3.916 391 3HG2 VAL 50 3HG2 VAL 50 -9.190 2.945 4.938 392 H THR 51 H THR 51 -9.516 7.121 2.818 393 HA THR 51 HA THR 51 -9.661 7.096 -0.132 394 HB THR 51 HB THR 51 -10.122 9.667 1.277 395 HG1 THR 51 HG1 THR 51 -11.415 8.400 2.580 396 1HG2 THR 51 1HG2 THR 51 -10.257 9.434 -1.181 397 2HG2 THR 51 2HG2 THR 51 -11.565 8.270 -0.986 398 3HG2 THR 51 3HG2 THR 51 -11.792 9.946 -0.484 399 H SER 52 H SER 52 -8.667 9.760 -0.430 400 HA SER 52 HA SER 52 -5.909 9.248 -0.471 401 1HB SER 52 1HB SER 52 -7.228 11.959 -0.668 402 2HB SER 52 2HB SER 52 -5.693 11.455 -1.377 403 HG SER 52 HG SER 52 -6.717 10.430 -2.944 404 H GLU 53 H GLU 53 -7.914 10.560 2.009 405 HA GLU 53 HA GLU 53 -5.742 11.920 3.361 406 1HB GLU 53 1HB GLU 53 -8.180 12.659 3.365 407 2HB GLU 53 2HB GLU 53 -8.484 11.318 4.460 408 1HG GLU 53 1HG GLU 53 -6.951 12.266 6.082 409 2HG GLU 53 2HG GLU 53 -6.580 13.591 4.976 410 H GLU 54 H GLU 54 -7.104 8.805 3.231 411 HA GLU 54 HA GLU 54 -5.916 7.981 5.767 412 1HB GLU 54 1HB GLU 54 -7.645 6.546 3.749 413 2HB GLU 54 2HB GLU 54 -6.886 5.721 5.101 414 1HG GLU 54 1HG GLU 54 -9.184 6.233 5.615 415 2HG GLU 54 2HG GLU 54 -8.108 7.156 6.660 416 H CYS 55 H CYS 55 -5.729 7.284 2.304 417 HA CYS 55 HA CYS 55 -3.122 6.006 2.722 418 1HB CYS 55 1HB CYS 55 -4.699 4.701 1.399 419 2HB CYS 55 2HB CYS 55 -4.951 6.059 0.309 420 HG CYS 55 HG CYS 55 -3.147 5.351 -1.359 421 H ARG 56 H ARG 56 -1.563 7.494 2.777 422 HA ARG 56 HA ARG 56 -1.697 9.732 0.859 423 1HB ARG 56 1HB ARG 56 -0.182 9.536 3.470 424 2HB ARG 56 2HB ARG 56 -0.155 10.916 2.384 425 1HG ARG 56 1HG ARG 56 -1.669 11.608 3.949 426 2HG ARG 56 2HG ARG 56 -2.737 10.888 2.744 427 1HD ARG 56 1HD ARG 56 -3.407 10.176 4.951 428 2HD ARG 56 2HD ARG 56 -2.761 8.800 4.057 429 HE ARG 56 HE ARG 56 -0.909 8.757 5.477 430 1HH1 ARG 56 1HH1 ARG 56 -3.039 11.435 6.219 431 2HH1 ARG 56 2HH1 ARG 56 -2.323 11.735 7.778 432 1HH2 ARG 56 1HH2 ARG 56 0.047 9.150 7.504 433 2HH2 ARG 56 2HH2 ARG 56 -0.558 10.445 8.503 434 H PHE 57 H PHE 57 0.099 10.195 -0.439 435 HA PHE 57 HA PHE 57 1.993 8.089 -0.832 436 1HB PHE 57 1HB PHE 57 1.344 9.520 -2.710 437 2HB PHE 57 2HB PHE 57 1.990 10.933 -1.881 438 HD1 PHE 57 HD1 PHE 57 4.156 11.603 -2.305 439 HD2 PHE 57 HD2 PHE 57 3.028 7.587 -3.139 440 HE1 PHE 57 HE1 PHE 57 6.361 11.199 -3.317 441 HE2 PHE 57 HE2 PHE 57 5.231 7.174 -4.155 442 HZ PHE 57 HZ PHE 57 6.901 8.982 -4.243 443 H CYS 58 H CYS 58 3.559 7.682 0.565 444 HA CYS 58 HA CYS 58 4.311 9.612 2.545 445 1HB CYS 58 1HB CYS 58 4.132 7.133 2.949 446 2HB CYS 58 2HB CYS 58 5.586 6.926 1.980 447 HG CYS 58 HG CYS 58 5.448 7.285 5.137 448 H HIS 59 H HIS 59 6.259 7.773 0.188 449 HA HIS 59 HA HIS 59 7.536 9.951 -0.977 450 1HB HIS 59 1HB HIS 59 9.824 9.731 0.024 451 2HB HIS 59 2HB HIS 59 8.633 10.424 1.111 452 HD1 HIS 59 HD1 HIS 59 8.578 9.453 3.381 453 HD2 HIS 59 HD2 HIS 59 10.287 6.847 0.621 454 HE1 HIS 59 HE1 HIS 59 9.386 7.482 4.716 455 HE2 HIS 59 HE2 HIS 59 10.591 6.013 3.059 456 H SER 60 H SER 60 9.724 9.182 -1.998 457 HA SER 60 HA SER 60 9.257 6.502 -3.084 458 1HB SER 60 1HB SER 60 9.614 8.418 -4.646 459 2HB SER 60 2HB SER 60 11.224 8.639 -3.963 460 HG SER 60 HG SER 60 11.898 6.796 -4.881 461 H GLU 61 H GLU 61 10.698 4.813 -2.752 462 HA GLU 61 HA GLU 61 13.046 5.426 -1.099 463 1HB GLU 61 1HB GLU 61 11.171 4.809 0.397 464 2HB GLU 61 2HB GLU 61 11.016 3.278 -0.450 465 1HG GLU 61 1HG GLU 61 12.206 3.083 1.692 466 2HG GLU 61 2HG GLU 61 13.182 2.573 0.316 467 H LYS 62 H LYS 62 14.626 3.749 -1.034 468 HA LYS 62 HA LYS 62 15.182 2.489 -3.477 469 1HB LYS 62 1HB LYS 62 16.220 1.926 -0.689 470 2HB LYS 62 2HB LYS 62 16.930 1.280 -2.164 471 1HG LYS 62 1HG LYS 62 17.532 3.471 -2.911 472 2HG LYS 62 2HG LYS 62 16.644 4.219 -1.585 473 1HD LYS 62 1HD LYS 62 18.717 2.275 -0.800 474 2HD LYS 62 2HD LYS 62 19.305 3.754 -1.557 475 1HE LYS 62 1HE LYS 62 19.235 4.009 0.856 476 2HE LYS 62 2HE LYS 62 18.068 5.083 0.091 477 1HZ LYS 62 1HZ LYS 62 17.369 2.447 1.269 478 2HZ LYS 62 2HZ LYS 62 17.222 3.924 2.091 479 3HZ LYS 62 3HZ LYS 62 16.294 3.635 0.704 480 H ALA 63 H ALA 63 14.672 0.531 -4.286 481 HA ALA 63 HA ALA 63 12.557 -0.897 -2.870 482 1HB ALA 63 1HB ALA 63 13.483 -1.192 -5.722 483 2HB ALA 63 2HB ALA 63 12.024 -1.883 -5.009 484 3HB ALA 63 3HB ALA 63 12.179 -0.134 -5.181 485 HA PRO 64 HA PRO 64 15.473 -4.223 -1.967 486 1HB PRO 64 1HB PRO 64 13.187 -5.405 -0.585 487 2HB PRO 64 2HB PRO 64 14.733 -4.873 0.081 488 1HG PRO 64 1HG PRO 64 12.409 -3.583 0.583 489 2HG PRO 64 2HG PRO 64 13.971 -2.749 0.503 490 1HD PRO 64 1HD PRO 64 11.807 -2.923 -1.562 491 2HD PRO 64 2HD PRO 64 12.805 -1.530 -1.089 492 H ASP 65 H ASP 65 15.671 -6.303 -2.789 493 HA ASP 65 HA ASP 65 14.293 -6.952 -5.115 494 1HB ASP 65 1HB ASP 65 15.404 -9.150 -4.924 495 2HB ASP 65 2HB ASP 65 16.509 -7.814 -4.658 496 H GLU 66 H GLU 66 13.601 -7.728 -1.805 497 HA GLU 66 HA GLU 66 11.885 -9.882 -1.991 498 1HB GLU 66 1HB GLU 66 11.681 -7.464 -0.191 499 2HB GLU 66 2HB GLU 66 10.793 -8.962 0.046 500 1HG GLU 66 1HG GLU 66 12.802 -10.166 0.447 501 2HG GLU 66 2HG GLU 66 13.791 -8.778 0.001 502 H VAL 67 H VAL 67 11.253 -6.492 -2.686 503 HA VAL 67 HA VAL 67 8.396 -7.061 -2.927 504 HB VAL 67 HB VAL 67 8.019 -4.692 -2.837 505 1HG1 VAL 67 1HG1 VAL 67 10.074 -5.594 -0.818 506 2HG1 VAL 67 2HG1 VAL 67 9.047 -4.169 -0.639 507 3HG1 VAL 67 3HG1 VAL 67 8.323 -5.776 -0.707 508 1HG2 VAL 67 1HG2 VAL 67 9.832 -3.067 -2.674 509 2HG2 VAL 67 2HG2 VAL 67 11.017 -4.356 -2.887 510 3HG2 VAL 67 3HG2 VAL 67 9.910 -3.950 -4.199 511 H ILE 68 H ILE 68 11.149 -6.647 -4.866 512 HA ILE 68 HA ILE 68 10.026 -5.368 -7.116 513 HB ILE 68 HB ILE 68 12.363 -7.277 -6.954 514 1HG1 ILE 68 1HG1 ILE 68 12.661 -5.212 -5.668 515 2HG1 ILE 68 2HG1 ILE 68 13.722 -5.234 -7.072 516 1HG2 ILE 68 1HG2 ILE 68 13.030 -6.409 -9.145 517 2HG2 ILE 68 2HG2 ILE 68 11.474 -7.235 -9.220 518 3HG2 ILE 68 3HG2 ILE 68 11.538 -5.473 -9.227 519 1HD1 ILE 68 1HD1 ILE 68 11.124 -3.731 -6.851 520 2HD1 ILE 68 2HD1 ILE 68 12.742 -3.038 -6.727 521 3HD1 ILE 68 3HD1 ILE 68 12.198 -3.742 -8.251 522 H GLU 69 H GLU 69 10.562 -8.843 -6.452 523 HA GLU 69 HA GLU 69 9.174 -9.583 -8.851 524 1HB GLU 69 1HB GLU 69 9.601 -11.860 -8.227 525 2HB GLU 69 2HB GLU 69 11.047 -10.918 -7.911 526 1HG GLU 69 1HG GLU 69 10.997 -12.145 -6.012 527 2HG GLU 69 2HG GLU 69 9.986 -10.799 -5.485 528 H ALA 70 H ALA 70 8.286 -8.863 -5.644 529 HA ALA 70 HA ALA 70 5.810 -10.265 -5.537 530 1HB ALA 70 1HB ALA 70 6.906 -9.423 -3.519 531 2HB ALA 70 2HB ALA 70 6.672 -7.767 -4.076 532 3HB ALA 70 3HB ALA 70 5.276 -8.768 -3.678 533 H ILE 71 H ILE 71 6.646 -6.877 -6.288 534 HA ILE 71 HA ILE 71 4.030 -6.129 -7.086 535 HB ILE 71 HB ILE 71 6.695 -4.912 -7.867 536 1HG1 ILE 71 1HG1 ILE 71 4.737 -4.096 -5.708 537 2HG1 ILE 71 2HG1 ILE 71 6.229 -4.986 -5.424 538 1HG2 ILE 71 1HG2 ILE 71 4.926 -4.236 -9.407 539 2HG2 ILE 71 2HG2 ILE 71 3.920 -3.740 -8.048 540 3HG2 ILE 71 3HG2 ILE 71 5.424 -2.885 -8.389 541 1HD1 ILE 71 1HD1 ILE 71 6.509 -2.639 -4.909 542 2HD1 ILE 71 2HD1 ILE 71 7.510 -3.092 -6.289 543 3HD1 ILE 71 3HD1 ILE 71 6.009 -2.202 -6.544 544 H LYS 72 H LYS 72 6.632 -7.769 -8.672 545 HA LYS 72 HA LYS 72 5.668 -7.522 -11.342 546 1HB LYS 72 1HB LYS 72 7.992 -8.152 -10.778 547 2HB LYS 72 2HB LYS 72 7.407 -9.664 -10.099 548 1HG LYS 72 1HG LYS 72 6.559 -10.300 -12.326 549 2HG LYS 72 2HG LYS 72 7.242 -8.810 -12.980 550 1HD LYS 72 1HD LYS 72 8.802 -10.995 -11.604 551 2HD LYS 72 2HD LYS 72 8.717 -10.744 -13.348 552 1HE LYS 72 1HE LYS 72 9.751 -8.710 -11.378 553 2HE LYS 72 2HE LYS 72 10.772 -9.825 -12.284 554 1HZ LYS 72 1HZ LYS 72 10.597 -7.601 -13.294 555 2HZ LYS 72 2HZ LYS 72 10.060 -8.837 -14.329 556 3HZ LYS 72 3HZ LYS 72 8.937 -7.845 -13.528 557 H GLN 73 H GLN 73 4.842 -9.483 -8.633 558 HA GLN 73 HA GLN 73 3.372 -11.422 -10.236 559 1HB GLN 73 1HB GLN 73 4.712 -12.236 -8.362 560 2HB GLN 73 2HB GLN 73 3.813 -11.211 -7.253 561 1HG GLN 73 1HG GLN 73 1.758 -12.484 -7.874 562 2HG GLN 73 2HG GLN 73 2.793 -13.589 -8.780 563 1HE2 GLN 73 2HE2 GLN 73 4.223 -14.928 -7.657 564 2HE2 GLN 73 1HE2 GLN 73 4.050 -15.232 -5.961 565 H ASN 74 H ASN 74 2.628 -9.431 -7.361 566 HA ASN 74 HA ASN 74 -0.190 -9.537 -8.148 567 1HB ASN 74 1HB ASN 74 -0.626 -8.744 -5.800 568 2HB ASN 74 2HB ASN 74 0.116 -10.330 -5.931 569 1HD2 ASN 74 2HD2 ASN 74 1.035 -10.389 -3.956 570 2HD2 ASN 74 1HD2 ASN 74 2.295 -9.318 -3.443 571 H GLY 75 H GLY 75 2.363 -7.243 -7.383 572 1HA GLY 75 1HA GLY 75 2.508 -5.177 -8.576 573 2HA GLY 75 2HA GLY 75 0.760 -5.188 -8.741 574 H TYR 76 H TYR 76 1.425 -6.093 -5.630 575 HA TYR 76 HA TYR 76 1.778 -3.454 -4.526 576 1HB TYR 76 1HB TYR 76 -0.386 -3.431 -3.313 577 2HB TYR 76 2HB TYR 76 -0.581 -3.316 -5.055 578 HD1 TYR 76 HD1 TYR 76 -1.751 -4.879 -2.146 579 HD2 TYR 76 HD2 TYR 76 -1.003 -5.659 -6.259 580 HE1 TYR 76 HE1 TYR 76 -3.337 -6.756 -2.074 581 HE2 TYR 76 HE2 TYR 76 -2.585 -7.538 -6.196 582 HH TYR 76 HH TYR 76 -4.840 -7.974 -4.011 583 H PHE 77 H PHE 77 3.115 -3.766 -2.896 584 HA PHE 77 HA PHE 77 2.875 -6.259 -1.346 585 1HB PHE 77 1HB PHE 77 5.053 -5.902 -2.490 586 2HB PHE 77 2HB PHE 77 5.260 -4.407 -1.586 587 HD1 PHE 77 HD1 PHE 77 5.174 -8.067 -1.357 588 HD2 PHE 77 HD2 PHE 77 5.932 -4.427 0.711 589 HE1 PHE 77 HE1 PHE 77 6.241 -9.329 0.465 590 HE2 PHE 77 HE2 PHE 77 7.000 -5.682 2.537 591 HZ PHE 77 HZ PHE 77 7.155 -8.137 2.416 592 H ILE 78 H ILE 78 1.895 -6.024 0.541 593 HA ILE 78 HA ILE 78 1.816 -3.414 1.822 594 HB ILE 78 HB ILE 78 0.383 -5.998 2.445 595 1HG1 ILE 78 1HG1 ILE 78 -1.629 -4.458 2.087 596 2HG1 ILE 78 2HG1 ILE 78 -0.488 -3.300 1.414 597 1HG2 ILE 78 1HG2 ILE 78 0.279 -3.411 3.990 598 2HG2 ILE 78 2HG2 ILE 78 -0.787 -4.794 4.237 599 3HG2 ILE 78 3HG2 ILE 78 0.941 -4.945 4.558 600 1HD1 ILE 78 1HD1 ILE 78 -1.012 -6.072 0.372 601 2HD1 ILE 78 2HD1 ILE 78 -1.595 -4.563 -0.329 602 3HD1 ILE 78 3HD1 ILE 78 0.132 -4.913 -0.305 603 H TYR 79 H TYR 79 3.537 -2.915 2.971 604 HA TYR 79 HA TYR 79 4.847 -4.939 4.624 605 1HB TYR 79 1HB TYR 79 6.402 -3.568 3.456 606 2HB TYR 79 2HB TYR 79 5.539 -2.096 3.882 607 HD1 TYR 79 HD1 TYR 79 6.204 -0.845 5.722 608 HD2 TYR 79 HD2 TYR 79 7.502 -4.884 5.400 609 HE1 TYR 79 HE1 TYR 79 7.677 -0.517 7.658 610 HE2 TYR 79 HE2 TYR 79 8.981 -4.565 7.342 611 HH TYR 79 HH TYR 79 8.775 -1.835 9.381 612 H LYS 80 H LYS 80 4.325 -5.175 6.695 613 HA LYS 80 HA LYS 80 2.345 -3.460 7.850 614 1HB LYS 80 1HB LYS 80 3.875 -5.738 9.121 615 2HB LYS 80 2HB LYS 80 2.424 -4.976 9.765 616 1HG LYS 80 1HG LYS 80 1.205 -5.702 7.731 617 2HG LYS 80 2HG LYS 80 2.651 -6.573 7.223 618 1HD LYS 80 1HD LYS 80 2.534 -7.874 9.344 619 2HD LYS 80 2HD LYS 80 1.000 -7.074 9.700 620 1HE LYS 80 1HE LYS 80 0.127 -7.943 7.533 621 2HE LYS 80 2HE LYS 80 1.624 -8.851 7.344 622 1HZ LYS 80 1HZ LYS 80 0.033 -10.317 8.238 623 2HZ LYS 80 2HZ LYS 80 1.068 -9.933 9.522 624 3HZ LYS 80 3HZ LYS 80 -0.465 -9.207 9.421 625 H MET 81 H MET 81 3.214 -1.472 8.063 626 HA MET 81 HA MET 81 5.641 -0.698 9.124 627 1HB MET 81 1HB MET 81 4.053 0.831 8.043 628 2HB MET 81 2HB MET 81 2.952 0.660 9.400 629 1HG MET 81 1HG MET 81 4.749 1.633 10.852 630 2HG MET 81 2HG MET 81 5.643 1.990 9.374 631 1HE MET 81 1HE MET 81 3.120 4.403 7.532 632 2HE MET 81 2HE MET 81 3.165 2.645 7.399 633 3HE MET 81 3HE MET 81 4.670 3.566 7.421 634 H GLU 82 H GLU 82 2.628 -0.370 10.961 635 HA GLU 82 HA GLU 82 3.892 -1.709 13.243 636 1HB GLU 82 1HB GLU 82 3.901 0.926 13.280 637 2HB GLU 82 2HB GLU 82 2.205 0.731 13.696 638 1HG GLU 82 1HG GLU 82 3.438 0.989 15.709 639 2HG GLU 82 2HG GLU 82 2.903 -0.688 15.614 640 H GLY 83 H GLY 83 1.633 -1.827 11.051 641 1HA GLY 83 1HA GLY 83 -0.665 -2.351 12.786 642 2HA GLY 83 2HA GLY 83 -0.717 -2.139 11.042 643 H CYS 84 H CYS 84 0.071 -4.319 13.636 644 HA CYS 84 HA CYS 84 -0.564 -6.561 11.878 645 1HB CYS 84 1HB CYS 84 1.355 -7.848 12.921 646 2HB CYS 84 2HB CYS 84 1.824 -6.583 11.791 647 HG CYS 84 HG CYS 84 3.250 -5.181 13.407 648 H ASN 85 H ASN 85 -2.059 -5.200 13.853 649 HA ASN 85 HA ASN 85 -1.904 -6.620 16.349 650 1HB ASN 85 1HB ASN 85 -2.673 -4.183 15.969 651 2HB ASN 85 2HB ASN 85 -4.203 -4.887 15.461 652 1HD2 ASN 85 2HD2 ASN 85 -3.820 -7.115 17.446 653 2HD2 ASN 85 1HD2 ASN 85 -4.231 -6.408 18.973 Start of MODEL 3 1 H MET 1 H MET 1 12.863 -0.790 -10.602 2 HA MET 1 HA MET 1 10.491 0.862 -11.228 3 1HB MET 1 1HB MET 1 10.015 -1.566 -11.320 4 2HB MET 1 2HB MET 1 10.667 -1.741 -9.696 5 1HG MET 1 1HG MET 1 8.908 -0.352 -8.798 6 2HG MET 1 2HG MET 1 8.287 -0.044 -10.419 7 1HE MET 1 1HE MET 1 8.702 -2.661 -7.532 8 2HE MET 1 2HE MET 1 9.650 -3.381 -8.834 9 3HE MET 1 3HE MET 1 8.150 -4.147 -8.308 10 H GLN 2 H GLN 2 10.095 2.378 -9.775 11 HA GLN 2 HA GLN 2 11.651 2.352 -7.277 12 1HB GLN 2 1HB GLN 2 10.224 4.625 -8.674 13 2HB GLN 2 2HB GLN 2 11.131 4.767 -7.172 14 1HG GLN 2 1HG GLN 2 13.173 4.144 -8.314 15 2HG GLN 2 2HG GLN 2 12.284 3.901 -9.816 16 1HE2 GLN 2 2HE2 GLN 2 11.606 6.507 -7.604 17 2HE2 GLN 2 1HE2 GLN 2 12.182 7.786 -8.623 18 H ILE 3 H ILE 3 10.649 2.215 -5.344 19 HA ILE 3 HA ILE 3 7.869 1.455 -5.421 20 HB ILE 3 HB ILE 3 8.174 1.048 -2.954 21 1HG1 ILE 3 1HG1 ILE 3 11.079 1.563 -3.626 22 2HG1 ILE 3 2HG1 ILE 3 10.072 2.605 -2.627 23 1HG2 ILE 3 1HG2 ILE 3 9.458 -0.996 -3.309 24 2HG2 ILE 3 2HG2 ILE 3 8.304 -0.718 -4.613 25 3HG2 ILE 3 3HG2 ILE 3 10.017 -0.374 -4.862 26 1HD1 ILE 3 1HD1 ILE 3 11.515 1.219 -1.264 27 2HD1 ILE 3 2HD1 ILE 3 9.823 0.795 -1.004 28 3HD1 ILE 3 3HD1 ILE 3 10.849 -0.236 -2.006 29 H HIS 4 H HIS 4 6.210 2.639 -4.976 30 HA HIS 4 HA HIS 4 6.561 5.317 -3.886 31 1HB HIS 4 1HB HIS 4 4.091 3.906 -4.931 32 2HB HIS 4 2HB HIS 4 4.154 5.584 -4.414 33 HD1 HIS 4 HD1 HIS 4 3.809 6.838 -6.532 34 HD2 HIS 4 HD2 HIS 4 6.624 3.812 -6.952 35 HE1 HIS 4 HE1 HIS 4 4.744 7.098 -8.853 36 HE2 HIS 4 HE2 HIS 4 6.302 5.135 -9.146 37 H VAL 5 H VAL 5 6.398 5.658 -1.780 38 HA VAL 5 HA VAL 5 5.361 3.530 -0.090 39 HB VAL 5 HB VAL 5 6.728 6.097 0.733 40 1HG1 VAL 5 1HG1 VAL 5 6.184 3.555 2.266 41 2HG1 VAL 5 2HG1 VAL 5 7.103 4.939 2.860 42 3HG1 VAL 5 3HG1 VAL 5 5.384 5.109 2.505 43 1HG2 VAL 5 1HG2 VAL 5 7.881 3.337 0.326 44 2HG2 VAL 5 2HG2 VAL 5 8.225 4.772 -0.639 45 3HG2 VAL 5 3HG2 VAL 5 8.735 4.702 1.048 46 H TYR 6 H TYR 6 3.218 3.581 0.118 47 HA TYR 6 HA TYR 6 1.938 6.146 0.764 48 1HB TYR 6 1HB TYR 6 0.690 3.515 -0.076 49 2HB TYR 6 2HB TYR 6 -0.205 4.979 0.314 50 HD1 TYR 6 HD1 TYR 6 2.087 3.419 -2.113 51 HD2 TYR 6 HD2 TYR 6 -0.422 6.752 -1.286 52 HE1 TYR 6 HE1 TYR 6 2.242 4.112 -4.461 53 HE2 TYR 6 HE2 TYR 6 -0.269 7.457 -3.640 54 HH TYR 6 HH TYR 6 0.964 5.438 -6.081 55 H ASP 7 H ASP 7 2.439 6.332 2.925 56 HA ASP 7 HA ASP 7 2.163 4.342 4.879 57 1HB ASP 7 1HB ASP 7 1.863 7.347 5.075 58 2HB ASP 7 2HB ASP 7 1.950 6.270 6.457 59 H THR 8 H THR 8 0.332 3.219 5.181 60 HA THR 8 HA THR 8 -2.215 4.620 4.753 61 HB THR 8 HB THR 8 -1.746 1.636 4.758 62 HG1 THR 8 HG1 THR 8 -0.652 3.037 3.056 63 1HG2 THR 8 1HG2 THR 8 -4.066 2.301 5.134 64 2HG2 THR 8 2HG2 THR 8 -4.011 3.337 3.707 65 3HG2 THR 8 3HG2 THR 8 -3.877 1.587 3.531 66 H TYR 9 H TYR 9 -3.340 5.129 6.468 67 HA TYR 9 HA TYR 9 -2.969 3.586 8.953 68 1HB TYR 9 1HB TYR 9 -4.069 6.391 8.762 69 2HB TYR 9 2HB TYR 9 -3.483 5.554 10.195 70 HD1 TYR 9 HD1 TYR 9 -0.984 4.989 10.286 71 HD2 TYR 9 HD2 TYR 9 -2.642 7.760 7.525 72 HE1 TYR 9 HE1 TYR 9 1.235 5.985 9.971 73 HE2 TYR 9 HE2 TYR 9 -0.425 8.769 7.194 74 HH TYR 9 HH TYR 9 2.436 7.310 8.238 75 H VAL 10 H VAL 10 -4.565 2.040 8.197 76 HA VAL 10 HA VAL 10 -7.250 2.952 7.663 77 HB VAL 10 HB VAL 10 -6.230 0.139 8.115 78 1HG1 VAL 10 1HG1 VAL 10 -8.340 -0.562 7.056 79 2HG1 VAL 10 2HG1 VAL 10 -8.607 0.289 8.577 80 3HG1 VAL 10 3HG1 VAL 10 -8.874 1.118 7.043 81 1HG2 VAL 10 1HG2 VAL 10 -5.230 1.179 6.153 82 2HG2 VAL 10 2HG2 VAL 10 -6.382 -0.067 5.673 83 3HG2 VAL 10 3HG2 VAL 10 -6.828 1.636 5.564 84 H LYS 11 H LYS 11 -8.675 3.471 9.159 85 HA LYS 11 HA LYS 11 -8.093 2.789 11.929 86 1HB LYS 11 1HB LYS 11 -10.293 4.613 10.967 87 2HB LYS 11 2HB LYS 11 -9.509 4.584 12.542 88 1HG LYS 11 1HG LYS 11 -7.390 5.275 11.403 89 2HG LYS 11 2HG LYS 11 -8.332 5.507 9.932 90 1HD LYS 11 1HD LYS 11 -9.789 7.083 11.252 91 2HD LYS 11 2HD LYS 11 -8.596 6.974 12.548 92 1HE LYS 11 1HE LYS 11 -8.254 8.099 9.780 93 2HE LYS 11 2HE LYS 11 -8.026 8.910 11.328 94 1HZ LYS 11 1HZ LYS 11 -6.109 7.457 11.740 95 2HZ LYS 11 2HZ LYS 11 -6.314 6.757 10.212 96 3HZ LYS 11 3HZ LYS 11 -5.903 8.394 10.340 97 H ALA 12 H ALA 12 -8.733 0.675 12.097 98 HA ALA 12 HA ALA 12 -11.284 -0.237 11.165 99 1HB ALA 12 1HB ALA 12 -9.314 -1.560 13.024 100 2HB ALA 12 2HB ALA 12 -10.692 -2.343 12.250 101 3HB ALA 12 3HB ALA 12 -9.357 -1.738 11.271 102 H LYS 13 H LYS 13 -13.158 -0.319 12.213 103 HA LYS 13 HA LYS 13 -13.670 1.327 14.393 104 1HB LYS 13 1HB LYS 13 -15.309 -1.016 13.408 105 2HB LYS 13 2HB LYS 13 -15.894 0.279 14.443 106 1HG LYS 13 1HG LYS 13 -14.856 0.664 11.643 107 2HG LYS 13 2HG LYS 13 -16.560 0.526 12.083 108 1HD LYS 13 1HD LYS 13 -16.355 2.506 13.502 109 2HD LYS 13 2HD LYS 13 -14.649 2.640 13.071 110 1HE LYS 13 1HE LYS 13 -15.229 3.020 10.755 111 2HE LYS 13 2HE LYS 13 -16.938 2.769 11.110 112 1HZ LYS 13 1HZ LYS 13 -16.858 4.719 12.562 113 2HZ LYS 13 2HZ LYS 13 -15.238 4.977 12.144 114 3HZ LYS 13 3HZ LYS 13 -16.448 5.105 10.964 115 H ASP 14 H ASP 14 -13.964 -2.224 14.396 116 HA ASP 14 HA ASP 14 -13.371 -2.159 17.273 117 1HB ASP 14 1HB ASP 14 -14.841 -4.235 15.634 118 2HB ASP 14 2HB ASP 14 -14.441 -4.418 17.341 119 H GLY 15 H GLY 15 -11.203 -1.829 15.922 120 1HA GLY 15 1HA GLY 15 -9.799 -4.347 16.363 121 2HA GLY 15 2HA GLY 15 -9.639 -3.616 14.770 122 H HIS 16 H HIS 16 -8.331 -1.892 14.488 123 HA HIS 16 HA HIS 16 -7.336 -0.242 16.559 124 1HB HIS 16 1HB HIS 16 -4.913 -1.003 16.335 125 2HB HIS 16 2HB HIS 16 -5.965 -2.061 17.268 126 HD1 HIS 16 HD1 HIS 16 -5.921 -4.457 16.637 127 HD2 HIS 16 HD2 HIS 16 -4.520 -2.023 13.569 128 HE1 HIS 16 HE1 HIS 16 -5.139 -6.020 14.834 129 HE2 HIS 16 HE2 HIS 16 -4.568 -4.526 12.885 130 H VAL 17 H VAL 17 -5.520 1.185 15.664 131 HA VAL 17 HA VAL 17 -6.141 1.887 12.947 132 HB VAL 17 HB VAL 17 -3.933 2.959 14.718 133 1HG1 VAL 17 1HG1 VAL 17 -5.081 4.009 12.130 134 2HG1 VAL 17 2HG1 VAL 17 -3.935 4.871 13.157 135 3HG1 VAL 17 3HG1 VAL 17 -3.456 3.364 12.375 136 1HG2 VAL 17 1HG2 VAL 17 -5.442 4.862 15.084 137 2HG2 VAL 17 2HG2 VAL 17 -6.697 4.038 14.160 138 3HG2 VAL 17 3HG2 VAL 17 -6.131 3.354 15.684 139 H MET 18 H MET 18 -5.509 0.567 11.430 140 HA MET 18 HA MET 18 -3.260 -1.156 11.640 141 1HB MET 18 1HB MET 18 -4.933 -0.419 9.229 142 2HB MET 18 2HB MET 18 -3.823 -1.781 9.327 143 1HG MET 18 1HG MET 18 -5.175 -2.875 10.942 144 2HG MET 18 2HG MET 18 -6.180 -1.445 11.158 145 1HE MET 18 1HE MET 18 -6.178 -4.053 7.353 146 2HE MET 18 2HE MET 18 -5.229 -4.424 8.792 147 3HE MET 18 3HE MET 18 -4.828 -3.015 7.811 148 H HIS 19 H HIS 19 -1.372 -0.098 11.848 149 HA HIS 19 HA HIS 19 -0.630 2.001 9.975 150 1HB HIS 19 1HB HIS 19 0.822 0.783 12.332 151 2HB HIS 19 2HB HIS 19 1.500 2.043 11.313 152 HD1 HIS 19 HD1 HIS 19 -0.069 1.690 14.449 153 HD2 HIS 19 HD2 HIS 19 -0.445 4.397 11.313 154 HE1 HIS 19 HE1 HIS 19 -1.124 3.738 15.442 155 HE2 HIS 19 HE2 HIS 19 -1.085 5.443 13.589 156 H PHE 20 H PHE 20 -0.176 1.170 7.992 157 HA PHE 20 HA PHE 20 2.151 -0.549 7.836 158 1HB PHE 20 1HB PHE 20 1.096 -2.162 6.309 159 2HB PHE 20 2HB PHE 20 0.336 -2.178 7.895 160 HD1 PHE 20 HD1 PHE 20 -1.921 -1.272 8.195 161 HD2 PHE 20 HD2 PHE 20 -0.104 -1.497 4.355 162 HE1 PHE 20 HE1 PHE 20 -4.123 -0.988 7.139 163 HE2 PHE 20 HE2 PHE 20 -2.303 -1.209 3.293 164 HZ PHE 20 HZ PHE 20 -4.316 -0.954 4.686 165 H ASP 21 H ASP 21 3.057 -0.678 5.690 166 HA ASP 21 HA ASP 21 2.538 1.790 4.180 167 1HB ASP 21 1HB ASP 21 4.920 -0.072 3.985 168 2HB ASP 21 2HB ASP 21 4.761 1.509 3.236 169 H VAL 22 H VAL 22 1.586 1.665 2.228 170 HA VAL 22 HA VAL 22 1.447 -0.952 0.919 171 HB VAL 22 HB VAL 22 -0.018 1.622 0.290 172 1HG1 VAL 22 1HG1 VAL 22 -1.310 0.279 -1.320 173 2HG1 VAL 22 2HG1 VAL 22 0.396 0.380 -1.763 174 3HG1 VAL 22 3HG1 VAL 22 -0.237 -1.090 -1.021 175 1HG2 VAL 22 1HG2 VAL 22 -0.993 -1.004 1.412 176 2HG2 VAL 22 2HG2 VAL 22 -0.792 0.500 2.315 177 3HG2 VAL 22 3HG2 VAL 22 -1.996 0.398 1.031 178 H PHE 23 H PHE 23 3.283 -1.321 -0.148 179 HA PHE 23 HA PHE 23 4.583 0.808 -1.642 180 1HB PHE 23 1HB PHE 23 5.299 -2.098 -1.206 181 2HB PHE 23 2HB PHE 23 6.242 -1.003 -2.209 182 HD1 PHE 23 HD1 PHE 23 5.541 -2.130 1.131 183 HD2 PHE 23 HD2 PHE 23 7.321 0.987 -1.152 184 HE1 PHE 23 HE1 PHE 23 6.802 -1.404 3.113 185 HE2 PHE 23 HE2 PHE 23 8.584 1.719 0.827 186 HZ PHE 23 HZ PHE 23 8.326 0.522 2.963 187 H THR 24 H THR 24 3.922 1.284 -3.602 188 HA THR 24 HA THR 24 3.217 -0.910 -5.428 189 HB THR 24 HB THR 24 1.515 0.758 -6.438 190 HG1 THR 24 HG1 THR 24 1.490 1.717 -3.763 191 1HG2 THR 24 1HG2 THR 24 -0.283 -0.046 -4.994 192 2HG2 THR 24 2HG2 THR 24 0.856 -1.341 -5.364 193 3HG2 THR 24 3HG2 THR 24 0.902 -0.550 -3.789 194 H ASP 25 H ASP 25 3.492 -0.358 -7.690 195 HA ASP 25 HA ASP 25 5.475 1.714 -8.171 196 1HB ASP 25 1HB ASP 25 5.849 -0.351 -9.342 197 2HB ASP 25 2HB ASP 25 4.200 -0.362 -9.959 198 H VAL 26 H VAL 26 2.108 1.156 -8.451 199 HA VAL 26 HA VAL 26 1.457 2.925 -10.533 200 HB VAL 26 HB VAL 26 -0.319 2.146 -8.219 201 1HG1 VAL 26 1HG1 VAL 26 -0.933 3.047 -11.028 202 2HG1 VAL 26 2HG1 VAL 26 -2.125 2.469 -9.864 203 3HG1 VAL 26 3HG1 VAL 26 -1.227 3.952 -9.543 204 1HG2 VAL 26 1HG2 VAL 26 -1.064 0.281 -9.618 205 2HG2 VAL 26 2HG2 VAL 26 0.140 0.712 -10.832 206 3HG2 VAL 26 3HG2 VAL 26 0.655 0.156 -9.240 207 H ARG 27 H ARG 27 1.352 5.044 -10.615 208 HA ARG 27 HA ARG 27 1.782 6.577 -8.167 209 1HB ARG 27 1HB ARG 27 2.264 8.454 -9.791 210 2HB ARG 27 2HB ARG 27 3.364 7.084 -9.884 211 1HG ARG 27 1HG ARG 27 2.131 6.228 -11.815 212 2HG ARG 27 2HG ARG 27 1.041 7.612 -11.725 213 1HD ARG 27 1HD ARG 27 2.864 9.124 -12.182 214 2HD ARG 27 2HD ARG 27 4.019 7.792 -12.148 215 HE ARG 27 HE ARG 27 2.070 7.207 -14.066 216 1HH1 ARG 27 1HH1 ARG 27 4.640 9.526 -13.529 217 2HH1 ARG 27 2HH1 ARG 27 4.965 9.755 -15.217 218 1HH2 ARG 27 1HH2 ARG 27 2.500 7.498 -16.292 219 2HH2 ARG 27 2HH2 ARG 27 3.750 8.597 -16.788 220 H ASP 28 H ASP 28 -0.791 5.413 -9.089 221 HA ASP 28 HA ASP 28 -2.378 7.863 -9.415 222 1HB ASP 28 1HB ASP 28 -2.626 6.079 -11.166 223 2HB ASP 28 2HB ASP 28 -3.257 5.012 -9.915 224 H ASP 29 H ASP 29 -3.647 8.506 -7.792 225 HA ASP 29 HA ASP 29 -3.301 7.340 -5.247 226 1HB ASP 29 1HB ASP 29 -4.687 9.079 -4.390 227 2HB ASP 29 2HB ASP 29 -3.739 9.774 -5.699 228 H LYS 30 H LYS 30 -5.813 6.971 -7.648 229 HA LYS 30 HA LYS 30 -7.691 5.793 -5.826 230 1HB LYS 30 1HB LYS 30 -8.580 6.888 -7.769 231 2HB LYS 30 2HB LYS 30 -7.595 5.905 -8.843 232 1HG LYS 30 1HG LYS 30 -9.939 5.208 -8.843 233 2HG LYS 30 2HG LYS 30 -8.872 3.930 -8.259 234 1HD LYS 30 1HD LYS 30 -9.450 4.529 -5.947 235 2HD LYS 30 2HD LYS 30 -10.541 5.776 -6.552 236 1HE LYS 30 1HE LYS 30 -10.781 2.823 -7.126 237 2HE LYS 30 2HE LYS 30 -11.717 3.700 -5.918 238 1HZ LYS 30 1HZ LYS 30 -11.788 4.093 -8.859 239 2HZ LYS 30 2HZ LYS 30 -13.027 3.484 -7.880 240 3HZ LYS 30 3HZ LYS 30 -12.566 5.113 -7.752 241 H LYS 31 H LYS 31 -5.517 4.554 -8.340 242 HA LYS 31 HA LYS 31 -6.378 1.875 -8.044 243 1HB LYS 31 1HB LYS 31 -5.326 2.809 -10.088 244 2HB LYS 31 2HB LYS 31 -3.793 2.870 -9.232 245 1HG LYS 31 1HG LYS 31 -3.503 0.609 -9.298 246 2HG LYS 31 2HG LYS 31 -5.236 0.277 -9.345 247 1HD LYS 31 1HD LYS 31 -3.969 1.677 -11.651 248 2HD LYS 31 2HD LYS 31 -3.728 -0.061 -11.474 249 1HE LYS 31 1HE LYS 31 -5.647 0.478 -12.925 250 2HE LYS 31 2HE LYS 31 -6.117 -0.439 -11.499 251 1HZ LYS 31 1HZ LYS 31 -6.346 2.516 -11.650 252 2HZ LYS 31 2HZ LYS 31 -7.594 1.472 -12.116 253 3HZ LYS 31 3HZ LYS 31 -7.048 1.469 -10.512 254 H ALA 32 H ALA 32 -3.743 3.718 -6.588 255 HA ALA 32 HA ALA 32 -2.465 1.625 -5.241 256 1HB ALA 32 1HB ALA 32 -1.658 3.320 -3.691 257 2HB ALA 32 2HB ALA 32 -1.571 3.906 -5.352 258 3HB ALA 32 3HB ALA 32 -2.864 4.460 -4.289 259 H ILE 33 H ILE 33 -5.258 3.605 -4.317 260 HA ILE 33 HA ILE 33 -5.716 2.384 -1.812 261 HB ILE 33 HB ILE 33 -7.602 3.837 -3.671 262 1HG1 ILE 33 1HG1 ILE 33 -6.249 4.675 -1.102 263 2HG1 ILE 33 2HG1 ILE 33 -5.750 5.160 -2.717 264 1HG2 ILE 33 1HG2 ILE 33 -8.083 2.965 -0.823 265 2HG2 ILE 33 2HG2 ILE 33 -9.146 4.001 -1.776 266 3HG2 ILE 33 3HG2 ILE 33 -8.888 2.324 -2.256 267 1HD1 ILE 33 1HD1 ILE 33 -6.996 6.915 -1.595 268 2HD1 ILE 33 2HD1 ILE 33 -7.860 6.335 -3.021 269 3HD1 ILE 33 3HD1 ILE 33 -8.376 5.830 -1.411 270 H GLU 34 H GLU 34 -6.867 1.680 -5.074 271 HA GLU 34 HA GLU 34 -8.746 -0.278 -4.473 272 1HB GLU 34 1HB GLU 34 -6.900 -0.132 -6.861 273 2HB GLU 34 2HB GLU 34 -8.322 -1.161 -6.749 274 1HG GLU 34 1HG GLU 34 -9.721 0.849 -6.492 275 2HG GLU 34 2HG GLU 34 -8.283 1.848 -6.693 276 H PHE 35 H PHE 35 -5.243 -0.648 -5.047 277 HA PHE 35 HA PHE 35 -5.217 -3.451 -4.675 278 1HB PHE 35 1HB PHE 35 -3.050 -1.368 -4.487 279 2HB PHE 35 2HB PHE 35 -2.731 -3.077 -4.208 280 HD1 PHE 35 HD1 PHE 35 -3.848 -4.617 -6.142 281 HD2 PHE 35 HD2 PHE 35 -2.533 -0.595 -6.578 282 HE1 PHE 35 HE1 PHE 35 -3.567 -4.978 -8.557 283 HE2 PHE 35 HE2 PHE 35 -2.254 -0.946 -8.997 284 HZ PHE 35 HZ PHE 35 -2.771 -3.139 -9.989 285 H ALA 36 H ALA 36 -4.898 -0.755 -2.444 286 HA ALA 36 HA ALA 36 -4.216 -2.258 -0.148 287 1HB ALA 36 1HB ALA 36 -3.984 0.177 -0.255 288 2HB ALA 36 2HB ALA 36 -5.739 0.342 -0.320 289 3HB ALA 36 3HB ALA 36 -4.967 -0.317 1.123 290 H LYS 37 H LYS 37 -7.318 -1.285 -1.551 291 HA LYS 37 HA LYS 37 -8.902 -2.435 0.518 292 1HB LYS 37 1HB LYS 37 -9.668 -1.691 -2.311 293 2HB LYS 37 2HB LYS 37 -10.798 -2.093 -1.023 294 1HG LYS 37 1HG LYS 37 -9.922 -0.177 0.275 295 2HG LYS 37 2HG LYS 37 -8.923 0.256 -1.111 296 1HD LYS 37 1HD LYS 37 -10.900 1.609 -1.157 297 2HD LYS 37 2HD LYS 37 -11.001 0.438 -2.472 298 1HE LYS 37 1HE LYS 37 -12.518 -0.930 -1.206 299 2HE LYS 37 2HE LYS 37 -12.311 0.087 0.219 300 1HZ LYS 37 1HZ LYS 37 -13.545 0.922 -2.352 301 2HZ LYS 37 2HZ LYS 37 -14.374 0.592 -0.913 302 3HZ LYS 37 3HZ LYS 37 -13.320 1.923 -1.000 303 H GLN 38 H GLN 38 -7.510 -3.647 -2.438 304 HA GLN 38 HA GLN 38 -8.930 -6.049 -2.688 305 1HB GLN 38 1HB GLN 38 -6.031 -5.431 -3.289 306 2HB GLN 38 2HB GLN 38 -6.816 -6.937 -3.735 307 1HG GLN 38 1HG GLN 38 -7.707 -4.219 -4.654 308 2HG GLN 38 2HG GLN 38 -6.660 -5.294 -5.575 309 1HE2 GLN 38 2HE2 GLN 38 -7.506 -7.117 -6.517 310 2HE2 GLN 38 1HE2 GLN 38 -9.211 -7.385 -6.679 311 H TRP 39 H TRP 39 -6.106 -5.224 -0.726 312 HA TRP 39 HA TRP 39 -5.854 -7.817 0.425 313 1HB TRP 39 1HB TRP 39 -3.965 -6.256 0.310 314 2HB TRP 39 2HB TRP 39 -4.807 -5.141 1.378 315 HD1 TRP 39 HD1 TRP 39 -3.610 -8.837 1.545 316 HE1 TRP 39 HE1 TRP 39 -2.718 -9.266 3.920 317 HE3 TRP 39 HE3 TRP 39 -4.541 -4.251 3.601 318 HZ2 TRP 39 HZ2 TRP 39 -2.441 -7.844 6.343 319 HZ3 TRP 39 HZ3 TRP 39 -3.928 -3.865 5.952 320 HH2 TRP 39 HH2 TRP 39 -2.899 -5.627 7.293 321 H LEU 40 H LEU 40 -7.393 -4.795 1.437 322 HA LEU 40 HA LEU 40 -8.189 -5.578 4.000 323 1HB LEU 40 1HB LEU 40 -9.494 -3.665 2.069 324 2HB LEU 40 2HB LEU 40 -9.971 -3.840 3.748 325 HG LEU 40 HG LEU 40 -7.259 -2.920 2.785 326 1HD1 LEU 40 1HD1 LEU 40 -9.536 -1.399 4.046 327 2HD1 LEU 40 2HD1 LEU 40 -7.939 -0.748 3.685 328 3HD1 LEU 40 3HD1 LEU 40 -8.996 -1.266 2.372 329 1HD2 LEU 40 1HD2 LEU 40 -6.866 -2.392 5.150 330 2HD2 LEU 40 2HD2 LEU 40 -8.410 -3.135 5.564 331 3HD2 LEU 40 3HD2 LEU 40 -7.111 -4.119 4.894 332 H SER 41 H SER 41 -9.910 -5.895 0.902 333 HA SER 41 HA SER 41 -12.203 -7.110 2.049 334 1HB SER 41 1HB SER 41 -12.641 -7.833 -0.360 335 2HB SER 41 2HB SER 41 -12.500 -6.099 -0.069 336 HG SER 41 HG SER 41 -10.437 -6.136 -0.909 337 H SER 42 H SER 42 -9.093 -8.306 1.136 338 HA SER 42 HA SER 42 -9.857 -11.063 1.000 339 1HB SER 42 1HB SER 42 -7.149 -9.734 1.246 340 2HB SER 42 2HB SER 42 -7.384 -11.469 1.031 341 HG SER 42 HG SER 42 -7.847 -9.357 -0.769 342 H ILE 43 H ILE 43 -8.614 -8.912 3.508 343 HA ILE 43 HA ILE 43 -8.423 -11.122 5.393 344 HB ILE 43 HB ILE 43 -7.664 -9.450 7.026 345 1HG1 ILE 43 1HG1 ILE 43 -7.935 -7.463 4.757 346 2HG1 ILE 43 2HG1 ILE 43 -8.977 -7.531 6.175 347 1HG2 ILE 43 1HG2 ILE 43 -5.536 -8.906 5.940 348 2HG2 ILE 43 2HG2 ILE 43 -6.039 -10.561 5.603 349 3HG2 ILE 43 3HG2 ILE 43 -6.237 -9.311 4.376 350 1HD1 ILE 43 1HD1 ILE 43 -7.072 -7.014 7.603 351 2HD1 ILE 43 2HD1 ILE 43 -6.022 -6.961 6.187 352 3HD1 ILE 43 3HD1 ILE 43 -7.312 -5.773 6.374 353 H GLY 44 H GLY 44 -10.968 -9.839 4.154 354 1HA GLY 44 1HA GLY 44 -13.166 -9.925 4.827 355 2HA GLY 44 2HA GLY 44 -12.608 -10.503 6.386 356 H GLU 45 H GLU 45 -11.281 -7.517 5.283 357 HA GLU 45 HA GLU 45 -12.687 -6.181 7.462 358 1HB GLU 45 1HB GLU 45 -10.134 -6.088 7.010 359 2HB GLU 45 2HB GLU 45 -10.554 -4.921 5.762 360 1HG GLU 45 1HG GLU 45 -9.910 -3.846 7.862 361 2HG GLU 45 2HG GLU 45 -11.574 -3.475 7.409 362 H GLU 46 H GLU 46 -12.955 -6.578 4.160 363 HA GLU 46 HA GLU 46 -14.397 -5.778 2.606 364 1HB GLU 46 1HB GLU 46 -15.601 -4.275 4.933 365 2HB GLU 46 2HB GLU 46 -16.337 -4.456 3.347 366 1HG GLU 46 1HG GLU 46 -16.437 -6.878 3.675 367 2HG GLU 46 2HG GLU 46 -15.718 -6.682 5.274 368 H GLY 47 H GLY 47 -15.607 -3.224 2.383 369 1HA GLY 47 1HA GLY 47 -13.260 -1.723 1.535 370 2HA GLY 47 2HA GLY 47 -14.928 -1.392 1.097 371 H ALA 48 H ALA 48 -12.643 -1.253 3.769 372 HA ALA 48 HA ALA 48 -14.189 0.428 5.431 373 1HB ALA 48 1HB ALA 48 -11.189 0.110 5.348 374 2HB ALA 48 2HB ALA 48 -12.131 0.792 6.674 375 3HB ALA 48 3HB ALA 48 -12.305 -0.913 6.256 376 H THR 49 H THR 49 -13.569 2.670 6.027 377 HA THR 49 HA THR 49 -13.599 4.386 3.791 378 HB THR 49 HB THR 49 -12.885 5.167 6.621 379 HG1 THR 49 HG1 THR 49 -15.509 5.058 5.524 380 1HG2 THR 49 1HG2 THR 49 -12.601 6.920 4.919 381 2HG2 THR 49 2HG2 THR 49 -14.266 6.677 4.395 382 3HG2 THR 49 3HG2 THR 49 -13.932 7.296 6.013 383 H VAL 50 H VAL 50 -11.826 4.156 2.484 384 HA VAL 50 HA VAL 50 -9.262 5.027 3.631 385 HB VAL 50 HB VAL 50 -9.605 2.873 1.532 386 1HG1 VAL 50 1HG1 VAL 50 -7.098 3.972 2.804 387 2HG1 VAL 50 2HG1 VAL 50 -7.176 2.617 1.678 388 3HG1 VAL 50 3HG1 VAL 50 -7.618 4.237 1.139 389 1HG2 VAL 50 1HG2 VAL 50 -8.650 2.684 4.389 390 2HG2 VAL 50 2HG2 VAL 50 -10.167 2.050 3.751 391 3HG2 VAL 50 3HG2 VAL 50 -8.629 1.369 3.215 392 H THR 51 H THR 51 -9.027 7.018 2.839 393 HA THR 51 HA THR 51 -8.960 7.231 -0.093 394 HB THR 51 HB THR 51 -10.938 8.463 0.675 395 HG1 THR 51 HG1 THR 51 -9.646 9.310 -1.083 396 1HG2 THR 51 1HG2 THR 51 -9.068 10.178 2.284 397 2HG2 THR 51 2HG2 THR 51 -10.807 10.388 2.118 398 3HG2 THR 51 3HG2 THR 51 -10.165 8.977 2.959 399 H SER 52 H SER 52 -7.963 9.851 -0.100 400 HA SER 52 HA SER 52 -5.222 9.398 -0.014 401 1HB SER 52 1HB SER 52 -6.931 11.867 -0.142 402 2HB SER 52 2HB SER 52 -5.169 11.926 -0.326 403 HG SER 52 HG SER 52 -6.153 9.995 -1.894 404 H GLU 53 H GLU 53 -7.314 10.249 2.577 405 HA GLU 53 HA GLU 53 -5.305 11.528 4.184 406 1HB GLU 53 1HB GLU 53 -8.090 10.540 4.805 407 2HB GLU 53 2HB GLU 53 -7.062 11.367 5.957 408 1HG GLU 53 1HG GLU 53 -8.124 12.484 3.378 409 2HG GLU 53 2HG GLU 53 -8.643 12.909 5.009 410 H GLU 54 H GLU 54 -6.603 8.331 3.725 411 HA GLU 54 HA GLU 54 -5.387 7.280 6.127 412 1HB GLU 54 1HB GLU 54 -6.917 6.011 3.861 413 2HB GLU 54 2HB GLU 54 -6.145 5.055 5.116 414 1HG GLU 54 1HG GLU 54 -8.505 5.366 5.577 415 2HG GLU 54 2HG GLU 54 -7.514 6.142 6.809 416 H CYS 55 H CYS 55 -4.958 6.841 2.617 417 HA CYS 55 HA CYS 55 -2.299 5.725 3.156 418 1HB CYS 55 1HB CYS 55 -2.388 5.069 0.724 419 2HB CYS 55 2HB CYS 55 -3.617 4.312 1.735 420 HG CYS 55 HG CYS 55 -4.045 6.843 -0.511 421 H ARG 56 H ARG 56 -0.953 7.400 3.438 422 HA ARG 56 HA ARG 56 -1.147 9.714 1.660 423 1HB ARG 56 1HB ARG 56 -0.997 10.068 4.110 424 2HB ARG 56 2HB ARG 56 0.581 9.294 4.102 425 1HG ARG 56 1HG ARG 56 1.280 11.091 2.444 426 2HG ARG 56 2HG ARG 56 -0.208 11.924 2.898 427 1HD ARG 56 1HD ARG 56 2.065 11.142 4.713 428 2HD ARG 56 2HD ARG 56 1.615 12.774 4.220 429 HE ARG 56 HE ARG 56 -0.510 12.375 5.473 430 1HH1 ARG 56 1HH1 ARG 56 2.357 10.521 6.234 431 2HH1 ARG 56 2HH1 ARG 56 1.908 10.248 7.888 432 1HH2 ARG 56 1HH2 ARG 56 -1.121 12.028 7.632 433 2HH2 ARG 56 2HH2 ARG 56 -0.091 11.118 8.691 434 H PHE 57 H PHE 57 0.085 9.777 -0.110 435 HA PHE 57 HA PHE 57 2.429 8.157 -0.413 436 1HB PHE 57 1HB PHE 57 1.097 8.728 -2.379 437 2HB PHE 57 2HB PHE 57 1.365 10.443 -2.094 438 HD1 PHE 57 HD1 PHE 57 3.082 11.513 -3.197 439 HD2 PHE 57 HD2 PHE 57 3.250 7.290 -2.717 440 HE1 PHE 57 HE1 PHE 57 5.100 11.440 -4.601 441 HE2 PHE 57 HE2 PHE 57 5.269 7.210 -4.121 442 HZ PHE 57 HZ PHE 57 6.196 9.285 -5.063 443 H CYS 58 H CYS 58 4.007 8.639 1.015 444 HA CYS 58 HA CYS 58 4.598 11.405 1.627 445 1HB CYS 58 1HB CYS 58 5.887 8.858 2.617 446 2HB CYS 58 2HB CYS 58 6.218 10.473 3.232 447 HG CYS 58 HG CYS 58 4.001 8.362 4.251 448 H HIS 59 H HIS 59 6.246 8.659 0.067 449 HA HIS 59 HA HIS 59 7.750 10.398 -1.606 450 1HB HIS 59 1HB HIS 59 9.988 9.963 -0.760 451 2HB HIS 59 2HB HIS 59 9.018 10.726 0.487 452 HD1 HIS 59 HD1 HIS 59 8.671 9.436 2.661 453 HD2 HIS 59 HD2 HIS 59 10.629 7.233 -0.278 454 HE1 HIS 59 HE1 HIS 59 9.484 7.343 3.802 455 HE2 HIS 59 HE2 HIS 59 10.583 5.975 1.982 456 H SER 60 H SER 60 9.656 9.114 -2.599 457 HA SER 60 HA SER 60 9.044 6.241 -2.812 458 1HB SER 60 1HB SER 60 9.966 8.039 -5.077 459 2HB SER 60 2HB SER 60 9.643 6.308 -5.187 460 HG SER 60 HG SER 60 7.571 7.806 -4.162 461 H GLU 61 H GLU 61 10.947 4.911 -3.016 462 HA GLU 61 HA GLU 61 13.483 6.286 -2.529 463 1HB GLU 61 1HB GLU 61 13.907 4.876 -0.514 464 2HB GLU 61 2HB GLU 61 12.607 6.041 -0.300 465 1HG GLU 61 1HG GLU 61 10.962 4.283 -0.667 466 2HG GLU 61 2HG GLU 61 12.258 3.111 -0.898 467 H LYS 62 H LYS 62 15.183 4.385 -1.989 468 HA LYS 62 HA LYS 62 15.467 2.860 -4.327 469 1HB LYS 62 1HB LYS 62 17.388 3.422 -2.924 470 2HB LYS 62 2HB LYS 62 16.740 2.443 -1.611 471 1HG LYS 62 1HG LYS 62 16.914 0.455 -3.097 472 2HG LYS 62 2HG LYS 62 17.720 1.477 -4.287 473 1HD LYS 62 1HD LYS 62 19.514 1.931 -2.714 474 2HD LYS 62 2HD LYS 62 18.690 0.983 -1.472 475 1HE LYS 62 1HE LYS 62 18.842 -0.999 -2.945 476 2HE LYS 62 2HE LYS 62 19.764 -0.038 -4.099 477 1HZ LYS 62 1HZ LYS 62 21.211 -1.365 -2.709 478 2HZ LYS 62 2HZ LYS 62 21.467 0.283 -2.409 479 3HZ LYS 62 3HZ LYS 62 20.574 -0.652 -1.308 480 H ALA 63 H ALA 63 14.608 1.000 -4.937 481 HA ALA 63 HA ALA 63 12.802 -0.350 -3.109 482 1HB ALA 63 1HB ALA 63 13.267 -0.790 -6.053 483 2HB ALA 63 2HB ALA 63 11.966 -1.485 -5.084 484 3HB ALA 63 3HB ALA 63 12.033 0.258 -5.353 485 HA PRO 64 HA PRO 64 15.939 -3.546 -2.427 486 1HB PRO 64 1HB PRO 64 13.881 -4.593 -0.610 487 2HB PRO 64 2HB PRO 64 15.537 -4.097 -0.254 488 1HG PRO 64 1HG PRO 64 13.409 -2.669 0.568 489 2HG PRO 64 2HG PRO 64 14.943 -1.902 0.112 490 1HD PRO 64 1HD PRO 64 12.405 -2.154 -1.462 491 2HD PRO 64 2HD PRO 64 13.508 -0.769 -1.314 492 H ASP 65 H ASP 65 15.954 -5.812 -2.852 493 HA ASP 65 HA ASP 65 14.415 -6.558 -5.065 494 1HB ASP 65 1HB ASP 65 16.671 -7.468 -4.435 495 2HB ASP 65 2HB ASP 65 15.872 -8.444 -3.208 496 H GLU 66 H GLU 66 13.952 -7.155 -1.647 497 HA GLU 66 HA GLU 66 12.017 -9.136 -1.668 498 1HB GLU 66 1HB GLU 66 12.280 -6.737 0.149 499 2HB GLU 66 2HB GLU 66 11.178 -8.073 0.450 500 1HG GLU 66 1HG GLU 66 14.169 -8.285 0.244 501 2HG GLU 66 2HG GLU 66 13.240 -8.255 1.742 502 H VAL 67 H VAL 67 11.499 -5.613 -1.848 503 HA VAL 67 HA VAL 67 8.661 -5.926 -2.065 504 HB VAL 67 HB VAL 67 8.537 -3.534 -2.340 505 1HG1 VAL 67 1HG1 VAL 67 9.746 -2.800 -0.313 506 2HG1 VAL 67 2HG1 VAL 67 8.866 -4.312 -0.085 507 3HG1 VAL 67 3HG1 VAL 67 10.614 -4.336 -0.310 508 1HG2 VAL 67 1HG2 VAL 67 11.540 -3.571 -2.607 509 2HG2 VAL 67 2HG2 VAL 67 10.385 -3.216 -3.894 510 3HG2 VAL 67 3HG2 VAL 67 10.528 -2.130 -2.512 511 H ILE 68 H ILE 68 11.329 -5.706 -4.274 512 HA ILE 68 HA ILE 68 9.938 -5.085 -6.634 513 HB ILE 68 HB ILE 68 12.349 -6.884 -6.306 514 1HG1 ILE 68 1HG1 ILE 68 12.745 -4.623 -5.452 515 2HG1 ILE 68 2HG1 ILE 68 13.659 -4.899 -6.931 516 1HG2 ILE 68 1HG2 ILE 68 12.781 -6.413 -8.677 517 2HG2 ILE 68 2HG2 ILE 68 11.254 -7.265 -8.439 518 3HG2 ILE 68 3HG2 ILE 68 11.257 -5.532 -8.770 519 1HD1 ILE 68 1HD1 ILE 68 11.079 -3.366 -6.703 520 2HD1 ILE 68 2HD1 ILE 68 12.692 -2.679 -6.890 521 3HD1 ILE 68 3HD1 ILE 68 11.989 -3.640 -8.190 522 H GLU 69 H GLU 69 10.667 -8.170 -5.072 523 HA GLU 69 HA GLU 69 9.528 -9.901 -6.934 524 1HB GLU 69 1HB GLU 69 10.941 -10.464 -4.890 525 2HB GLU 69 2HB GLU 69 9.467 -10.309 -3.944 526 1HG GLU 69 1HG GLU 69 9.714 -12.599 -4.366 527 2HG GLU 69 2HG GLU 69 8.458 -12.046 -5.476 528 H ALA 70 H ALA 70 8.081 -8.414 -4.059 529 HA ALA 70 HA ALA 70 5.581 -9.662 -4.244 530 1HB ALA 70 1HB ALA 70 6.374 -8.593 -2.210 531 2HB ALA 70 2HB ALA 70 6.270 -7.012 -2.987 532 3HB ALA 70 3HB ALA 70 4.804 -7.946 -2.690 533 H ILE 71 H ILE 71 6.594 -6.425 -5.374 534 HA ILE 71 HA ILE 71 4.012 -5.799 -6.418 535 HB ILE 71 HB ILE 71 6.662 -4.497 -7.076 536 1HG1 ILE 71 1HG1 ILE 71 4.609 -3.750 -4.981 537 2HG1 ILE 71 2HG1 ILE 71 6.152 -4.529 -4.646 538 1HG2 ILE 71 1HG2 ILE 71 4.937 -3.918 -8.681 539 2HG2 ILE 71 2HG2 ILE 71 3.830 -3.497 -7.374 540 3HG2 ILE 71 3HG2 ILE 71 5.284 -2.536 -7.643 541 1HD1 ILE 71 1HD1 ILE 71 7.326 -2.574 -5.510 542 2HD1 ILE 71 2HD1 ILE 71 5.781 -1.795 -5.850 543 3HD1 ILE 71 3HD1 ILE 71 6.243 -2.148 -4.186 544 H LYS 72 H LYS 72 6.671 -7.602 -7.598 545 HA LYS 72 HA LYS 72 6.019 -7.297 -10.391 546 1HB LYS 72 1HB LYS 72 8.333 -7.636 -9.687 547 2HB LYS 72 2HB LYS 72 7.909 -9.180 -8.970 548 1HG LYS 72 1HG LYS 72 7.558 -10.172 -11.087 549 2HG LYS 72 2HG LYS 72 7.598 -8.606 -11.903 550 1HD LYS 72 1HD LYS 72 9.695 -9.889 -12.185 551 2HD LYS 72 2HD LYS 72 9.940 -8.340 -11.377 552 1HE LYS 72 1HE LYS 72 11.241 -9.929 -10.198 553 2HE LYS 72 2HE LYS 72 9.834 -9.587 -9.194 554 1HZ LYS 72 1HZ LYS 72 10.527 -12.029 -10.663 555 2HZ LYS 72 2HZ LYS 72 9.909 -11.855 -9.095 556 3HZ LYS 72 3HZ LYS 72 8.885 -11.668 -10.439 557 H GLN 73 H GLN 73 5.186 -9.482 -7.805 558 HA GLN 73 HA GLN 73 3.937 -11.295 -9.751 559 1HB GLN 73 1HB GLN 73 4.704 -11.731 -6.867 560 2HB GLN 73 2HB GLN 73 3.785 -12.890 -7.816 561 1HG GLN 73 1HG GLN 73 6.507 -11.901 -8.619 562 2HG GLN 73 2HG GLN 73 6.255 -13.322 -7.611 563 1HE2 GLN 73 2HE2 GLN 73 4.130 -12.450 -10.283 564 2HE2 GLN 73 1HE2 GLN 73 4.568 -13.780 -11.296 565 H ASN 74 H ASN 74 3.209 -9.286 -6.951 566 HA ASN 74 HA ASN 74 0.395 -10.125 -7.126 567 1HB ASN 74 1HB ASN 74 1.847 -8.602 -4.951 568 2HB ASN 74 2HB ASN 74 0.135 -9.005 -4.923 569 1HD2 ASN 74 2HD2 ASN 74 2.273 -9.742 -3.090 570 2HD2 ASN 74 1HD2 ASN 74 2.282 -11.471 -3.037 571 H GLY 75 H GLY 75 2.526 -7.458 -7.638 572 1HA GLY 75 1HA GLY 75 2.014 -5.506 -8.840 573 2HA GLY 75 2HA GLY 75 0.302 -5.824 -8.588 574 H TYR 76 H TYR 76 1.337 -6.357 -5.666 575 HA TYR 76 HA TYR 76 1.739 -3.629 -4.765 576 1HB TYR 76 1HB TYR 76 -0.166 -3.741 -3.180 577 2HB TYR 76 2HB TYR 76 -0.693 -3.763 -4.859 578 HD1 TYR 76 HD1 TYR 76 -0.208 -5.856 -1.845 579 HD2 TYR 76 HD2 TYR 76 -1.937 -5.604 -5.721 580 HE1 TYR 76 HE1 TYR 76 -1.510 -7.888 -1.386 581 HE2 TYR 76 HE2 TYR 76 -3.241 -7.640 -5.277 582 HH TYR 76 HH TYR 76 -3.340 -9.107 -2.097 583 H PHE 77 H PHE 77 2.382 -3.514 -2.528 584 HA PHE 77 HA PHE 77 2.841 -6.073 -1.193 585 1HB PHE 77 1HB PHE 77 4.969 -5.574 -2.277 586 2HB PHE 77 2HB PHE 77 4.970 -3.956 -1.580 587 HD1 PHE 77 HD1 PHE 77 6.363 -3.646 0.206 588 HD2 PHE 77 HD2 PHE 77 4.601 -7.474 -0.372 589 HE1 PHE 77 HE1 PHE 77 7.555 -4.487 2.185 590 HE2 PHE 77 HE2 PHE 77 5.790 -8.324 1.608 591 HZ PHE 77 HZ PHE 77 7.269 -6.830 2.889 592 H ILE 78 H ILE 78 1.758 -5.914 0.639 593 HA ILE 78 HA ILE 78 1.583 -3.346 2.018 594 HB ILE 78 HB ILE 78 0.124 -5.962 2.368 595 1HG1 ILE 78 1HG1 ILE 78 -1.874 -4.450 2.224 596 2HG1 ILE 78 2HG1 ILE 78 -0.778 -3.114 1.896 597 1HG2 ILE 78 1HG2 ILE 78 -0.997 -5.042 4.346 598 2HG2 ILE 78 2HG2 ILE 78 0.732 -5.268 4.611 599 3HG2 ILE 78 3HG2 ILE 78 0.090 -3.653 4.308 600 1HD1 ILE 78 1HD1 ILE 78 -0.027 -4.254 -0.139 601 2HD1 ILE 78 2HD1 ILE 78 -1.161 -5.563 0.194 602 3HD1 ILE 78 3HD1 ILE 78 -1.763 -3.942 -0.146 603 H TYR 79 H TYR 79 3.282 -2.903 3.260 604 HA TYR 79 HA TYR 79 4.525 -5.074 4.790 605 1HB TYR 79 1HB TYR 79 6.149 -3.734 3.637 606 2HB TYR 79 2HB TYR 79 5.429 -2.242 4.236 607 HD1 TYR 79 HD1 TYR 79 7.219 -5.311 5.346 608 HD2 TYR 79 HD2 TYR 79 6.152 -1.296 6.256 609 HE1 TYR 79 HE1 TYR 79 8.716 -5.361 7.296 610 HE2 TYR 79 HE2 TYR 79 7.646 -1.331 8.208 611 HH TYR 79 HH TYR 79 9.937 -3.817 8.725 612 H LYS 80 H LYS 80 3.687 -5.440 6.707 613 HA LYS 80 HA LYS 80 2.131 -3.509 8.107 614 1HB LYS 80 1HB LYS 80 3.239 -6.197 8.924 615 2HB LYS 80 2HB LYS 80 2.191 -5.223 9.954 616 1HG LYS 80 1HG LYS 80 0.418 -5.322 8.329 617 2HG LYS 80 2HG LYS 80 1.463 -6.173 7.192 618 1HD LYS 80 1HD LYS 80 1.574 -8.082 8.662 619 2HD LYS 80 2HD LYS 80 0.652 -7.219 9.899 620 1HE LYS 80 1HE LYS 80 -1.285 -7.144 8.472 621 2HE LYS 80 2HE LYS 80 -0.376 -7.849 7.136 622 1HZ LYS 80 1HZ LYS 80 -1.799 -9.457 8.305 623 2HZ LYS 80 2HZ LYS 80 -0.158 -9.883 8.346 624 3HZ LYS 80 3HZ LYS 80 -0.894 -9.214 9.720 625 H MET 81 H MET 81 3.099 -1.758 8.715 626 HA MET 81 HA MET 81 5.805 -1.492 9.457 627 1HB MET 81 1HB MET 81 4.477 0.335 8.505 628 2HB MET 81 2HB MET 81 3.434 0.330 9.920 629 1HG MET 81 1HG MET 81 5.562 0.843 11.250 630 2HG MET 81 2HG MET 81 6.277 1.234 9.685 631 1HE MET 81 1HE MET 81 3.574 2.363 8.225 632 2HE MET 81 2HE MET 81 5.162 3.103 8.015 633 3HE MET 81 3HE MET 81 3.780 4.096 8.486 634 H GLU 82 H GLU 82 2.807 -1.682 11.294 635 HA GLU 82 HA GLU 82 4.356 -2.025 13.766 636 1HB GLU 82 1HB GLU 82 3.719 0.302 13.712 637 2HB GLU 82 2HB GLU 82 2.062 -0.118 13.310 638 1HG GLU 82 1HG GLU 82 1.943 -1.292 15.532 639 2HG GLU 82 2HG GLU 82 3.491 -0.534 15.915 640 H GLY 83 H GLY 83 1.029 -1.968 12.496 641 1HA GLY 83 1HA GLY 83 0.069 -3.780 14.481 642 2HA GLY 83 2HA GLY 83 -0.808 -3.233 13.060 643 H CYS 84 H CYS 84 -0.384 -5.930 14.361 644 HA CYS 84 HA CYS 84 1.090 -7.450 12.409 645 1HB CYS 84 1HB CYS 84 -0.820 -8.456 14.525 646 2HB CYS 84 2HB CYS 84 0.402 -9.395 13.672 647 HG CYS 84 HG CYS 84 2.125 -9.117 15.540 648 H ASN 85 H ASN 85 -1.866 -6.011 12.405 649 HA ASN 85 HA ASN 85 -2.637 -7.288 9.972 650 1HB ASN 85 1HB ASN 85 -3.582 -8.877 11.649 651 2HB ASN 85 2HB ASN 85 -4.508 -7.551 12.344 652 1HD2 ASN 85 2HD2 ASN 85 -6.260 -6.715 11.209 653 2HD2 ASN 85 1HD2 ASN 85 -6.991 -7.562 9.888 Start of MODEL 4 1 H MET 1 H MET 1 13.735 0.670 -9.560 2 HA MET 1 HA MET 1 11.158 1.264 -10.869 3 1HB MET 1 1HB MET 1 11.609 -1.153 -10.712 4 2HB MET 1 2HB MET 1 11.949 -0.980 -8.997 5 1HG MET 1 1HG MET 1 9.653 -0.336 -8.578 6 2HG MET 1 2HG MET 1 9.295 -0.417 -10.303 7 1HE MET 1 1HE MET 1 7.227 -2.021 -9.722 8 2HE MET 1 2HE MET 1 7.636 -1.969 -8.006 9 3HE MET 1 3HE MET 1 7.387 -3.521 -8.807 10 H GLN 2 H GLN 2 10.187 2.865 -9.862 11 HA GLN 2 HA GLN 2 11.079 3.802 -7.290 12 1HB GLN 2 1HB GLN 2 8.627 4.702 -8.804 13 2HB GLN 2 2HB GLN 2 9.537 5.603 -7.601 14 1HG GLN 2 1HG GLN 2 11.412 5.787 -9.125 15 2HG GLN 2 2HG GLN 2 10.549 4.826 -10.326 16 1HE2 GLN 2 2HE2 GLN 2 10.476 6.388 -11.879 17 2HE2 GLN 2 1HE2 GLN 2 9.544 7.844 -11.736 18 H ILE 3 H ILE 3 10.486 2.637 -5.509 19 HA ILE 3 HA ILE 3 7.885 1.419 -5.350 20 HB ILE 3 HB ILE 3 8.480 1.155 -2.871 21 1HG1 ILE 3 1HG1 ILE 3 11.256 1.786 -3.883 22 2HG1 ILE 3 2HG1 ILE 3 10.283 2.914 -2.944 23 1HG2 ILE 3 1HG2 ILE 3 10.103 -0.177 -5.022 24 2HG2 ILE 3 2HG2 ILE 3 9.950 -0.764 -3.366 25 3HG2 ILE 3 3HG2 ILE 3 8.530 -0.678 -4.406 26 1HD1 ILE 3 1HD1 ILE 3 11.873 1.768 -1.531 27 2HD1 ILE 3 2HD1 ILE 3 10.226 1.310 -1.097 28 3HD1 ILE 3 3HD1 ILE 3 11.232 0.206 -2.037 29 H HIS 4 H HIS 4 6.210 2.705 -5.312 30 HA HIS 4 HA HIS 4 6.199 5.227 -3.948 31 1HB HIS 4 1HB HIS 4 4.152 3.584 -5.392 32 2HB HIS 4 2HB HIS 4 3.634 4.918 -4.370 33 HD1 HIS 4 HD1 HIS 4 2.973 6.686 -5.952 34 HD2 HIS 4 HD2 HIS 4 6.594 4.933 -7.008 35 HE1 HIS 4 HE1 HIS 4 3.846 8.045 -7.878 36 HE2 HIS 4 HE2 HIS 4 5.948 6.870 -8.607 37 H VAL 5 H VAL 5 6.469 5.108 -1.812 38 HA VAL 5 HA VAL 5 5.240 3.018 -0.247 39 HB VAL 5 HB VAL 5 6.800 5.442 0.672 40 1HG1 VAL 5 1HG1 VAL 5 6.053 2.915 2.141 41 2HG1 VAL 5 2HG1 VAL 5 7.092 4.200 2.761 42 3HG1 VAL 5 3HG1 VAL 5 5.390 4.524 2.432 43 1HG2 VAL 5 1HG2 VAL 5 7.701 2.606 0.187 44 2HG2 VAL 5 2HG2 VAL 5 8.158 4.025 -0.752 45 3HG2 VAL 5 3HG2 VAL 5 8.678 3.874 0.926 46 H TYR 6 H TYR 6 3.069 3.245 -0.215 47 HA TYR 6 HA TYR 6 1.947 5.838 0.522 48 1HB TYR 6 1HB TYR 6 0.696 3.314 -0.551 49 2HB TYR 6 2HB TYR 6 -0.272 4.632 0.105 50 HD1 TYR 6 HD1 TYR 6 -0.336 6.807 -1.027 51 HD2 TYR 6 HD2 TYR 6 1.784 3.519 -2.692 52 HE1 TYR 6 HE1 TYR 6 -0.226 7.977 -3.187 53 HE2 TYR 6 HE2 TYR 6 1.894 4.679 -4.855 54 HH TYR 6 HH TYR 6 0.932 8.014 -5.203 55 H ASP 7 H ASP 7 2.164 6.161 2.578 56 HA ASP 7 HA ASP 7 1.922 4.139 4.595 57 1HB ASP 7 1HB ASP 7 3.388 6.175 4.734 58 2HB ASP 7 2HB ASP 7 1.936 7.156 4.864 59 H THR 8 H THR 8 -0.029 3.302 5.073 60 HA THR 8 HA THR 8 -2.383 4.971 4.506 61 HB THR 8 HB THR 8 -2.346 1.962 4.742 62 HG1 THR 8 HG1 THR 8 -0.904 2.942 3.046 63 1HG2 THR 8 1HG2 THR 8 -4.357 2.137 3.331 64 2HG2 THR 8 2HG2 THR 8 -4.550 3.003 4.856 65 3HG2 THR 8 3HG2 THR 8 -4.222 3.896 3.371 66 H TYR 9 H TYR 9 -3.675 5.581 6.090 67 HA TYR 9 HA TYR 9 -3.481 4.275 8.720 68 1HB TYR 9 1HB TYR 9 -4.578 6.960 7.865 69 2HB TYR 9 2HB TYR 9 -4.860 6.289 9.465 70 HD1 TYR 9 HD1 TYR 9 -3.142 6.268 11.118 71 HD2 TYR 9 HD2 TYR 9 -2.314 7.659 7.187 72 HE1 TYR 9 HE1 TYR 9 -1.029 7.238 11.916 73 HE2 TYR 9 HE2 TYR 9 -0.195 8.632 7.970 74 HH TYR 9 HH TYR 9 0.818 9.412 10.044 75 H VAL 10 H VAL 10 -4.786 2.443 8.323 76 HA VAL 10 HA VAL 10 -7.505 2.935 7.363 77 HB VAL 10 HB VAL 10 -6.167 0.300 8.008 78 1HG1 VAL 10 1HG1 VAL 10 -8.778 0.900 6.624 79 2HG1 VAL 10 2HG1 VAL 10 -8.050 -0.698 6.793 80 3HG1 VAL 10 3HG1 VAL 10 -8.587 0.183 8.223 81 1HG2 VAL 10 1HG2 VAL 10 -6.037 0.012 5.575 82 2HG2 VAL 10 2HG2 VAL 10 -6.673 1.643 5.354 83 3HG2 VAL 10 3HG2 VAL 10 -5.102 1.403 6.121 84 H LYS 11 H LYS 11 -8.764 3.711 8.906 85 HA LYS 11 HA LYS 11 -8.529 3.017 11.661 86 1HB LYS 11 1HB LYS 11 -10.898 4.299 10.282 87 2HB LYS 11 2HB LYS 11 -10.486 4.388 11.989 88 1HG LYS 11 1HG LYS 11 -8.456 5.652 11.418 89 2HG LYS 11 2HG LYS 11 -8.921 5.595 9.716 90 1HD LYS 11 1HD LYS 11 -11.020 6.773 10.298 91 2HD LYS 11 2HD LYS 11 -10.450 6.904 11.963 92 1HE LYS 11 1HE LYS 11 -9.997 8.975 10.843 93 2HE LYS 11 2HE LYS 11 -8.466 8.147 11.118 94 1HZ LYS 11 1HZ LYS 11 -8.647 9.128 8.882 95 2HZ LYS 11 2HZ LYS 11 -8.436 7.450 8.831 96 3HZ LYS 11 3HZ LYS 11 -9.969 8.113 8.551 97 H ALA 12 H ALA 12 -8.910 0.954 12.231 98 HA ALA 12 HA ALA 12 -10.756 -0.701 10.789 99 1HB ALA 12 1HB ALA 12 -10.058 -2.460 12.308 100 2HB ALA 12 2HB ALA 12 -8.655 -1.580 11.699 101 3HB ALA 12 3HB ALA 12 -9.244 -1.275 13.334 102 H LYS 13 H LYS 13 -12.201 -2.176 12.265 103 HA LYS 13 HA LYS 13 -14.273 -0.523 13.250 104 1HB LYS 13 1HB LYS 13 -13.864 -3.490 13.695 105 2HB LYS 13 2HB LYS 13 -15.368 -2.609 13.920 106 1HG LYS 13 1HG LYS 13 -13.919 -2.973 11.305 107 2HG LYS 13 2HG LYS 13 -15.358 -3.851 11.823 108 1HD LYS 13 1HD LYS 13 -16.625 -1.772 11.880 109 2HD LYS 13 2HD LYS 13 -15.179 -0.864 11.430 110 1HE LYS 13 1HE LYS 13 -16.504 -2.993 9.751 111 2HE LYS 13 2HE LYS 13 -16.674 -1.254 9.514 112 1HZ LYS 13 1HZ LYS 13 -14.169 -2.835 9.267 113 2HZ LYS 13 2HZ LYS 13 -15.038 -2.111 8.009 114 3HZ LYS 13 3HZ LYS 13 -14.251 -1.148 9.159 115 H ASP 14 H ASP 14 -12.286 -2.908 15.005 116 HA ASP 14 HA ASP 14 -12.086 -1.014 17.231 117 1HB ASP 14 1HB ASP 14 -12.742 -2.609 18.884 118 2HB ASP 14 2HB ASP 14 -14.003 -2.610 17.655 119 H GLY 15 H GLY 15 -10.636 -3.074 15.110 120 1HA GLY 15 1HA GLY 15 -8.695 -4.244 16.916 121 2HA GLY 15 2HA GLY 15 -8.805 -4.509 15.184 122 H HIS 16 H HIS 16 -8.675 -1.345 16.702 123 HA HIS 16 HA HIS 16 -7.043 0.231 16.912 124 1HB HIS 16 1HB HIS 16 -5.574 -1.618 17.672 125 2HB HIS 16 2HB HIS 16 -5.140 -1.943 16.003 126 HD1 HIS 16 HD1 HIS 16 -4.605 0.559 18.753 127 HD2 HIS 16 HD2 HIS 16 -3.160 -0.321 14.958 128 HE1 HIS 16 HE1 HIS 16 -2.552 1.984 18.462 129 HE2 HIS 16 HE2 HIS 16 -1.557 1.223 16.275 130 H VAL 17 H VAL 17 -6.072 1.800 15.582 131 HA VAL 17 HA VAL 17 -6.851 1.793 12.853 132 HB VAL 17 HB VAL 17 -4.840 3.571 14.257 133 1HG1 VAL 17 1HG1 VAL 17 -5.135 5.108 12.399 134 2HG1 VAL 17 2HG1 VAL 17 -4.548 3.554 11.812 135 3HG1 VAL 17 3HG1 VAL 17 -6.247 3.984 11.617 136 1HG2 VAL 17 1HG2 VAL 17 -7.094 3.675 15.215 137 2HG2 VAL 17 2HG2 VAL 17 -6.667 5.177 14.395 138 3HG2 VAL 17 3HG2 VAL 17 -7.754 4.026 13.618 139 H MET 18 H MET 18 -6.033 0.431 11.446 140 HA MET 18 HA MET 18 -3.513 -0.833 11.713 141 1HB MET 18 1HB MET 18 -5.308 -0.629 9.284 142 2HB MET 18 2HB MET 18 -3.981 -1.761 9.484 143 1HG MET 18 1HG MET 18 -6.432 -1.672 11.232 144 2HG MET 18 2HG MET 18 -6.214 -2.755 9.858 145 1HE MET 18 1HE MET 18 -3.270 -5.025 11.026 146 2HE MET 18 2HE MET 18 -3.175 -3.565 10.044 147 3HE MET 18 3HE MET 18 -4.478 -4.723 9.775 148 H HIS 19 H HIS 19 -1.754 0.433 11.657 149 HA HIS 19 HA HIS 19 -1.512 2.354 9.455 150 1HB HIS 19 1HB HIS 19 -1.165 3.207 11.776 151 2HB HIS 19 2HB HIS 19 0.209 2.117 11.934 152 HD1 HIS 19 HD1 HIS 19 2.167 3.691 11.965 153 HD2 HIS 19 HD2 HIS 19 -0.528 4.541 8.909 154 HE1 HIS 19 HE1 HIS 19 3.240 5.502 10.589 155 HE2 HIS 19 HE2 HIS 19 1.668 5.879 8.654 156 H PHE 20 H PHE 20 -0.737 1.358 7.746 157 HA PHE 20 HA PHE 20 1.815 -0.041 7.975 158 1HB PHE 20 1HB PHE 20 1.000 -1.857 6.484 159 2HB PHE 20 2HB PHE 20 0.174 -1.839 8.039 160 HD1 PHE 20 HD1 PHE 20 -0.165 -1.229 4.445 161 HD2 PHE 20 HD2 PHE 20 -2.161 -1.294 8.202 162 HE1 PHE 20 HE1 PHE 20 -2.334 -1.163 3.289 163 HE2 PHE 20 HE2 PHE 20 -4.334 -1.228 7.053 164 HZ PHE 20 HZ PHE 20 -4.423 -1.163 4.593 165 H ASP 21 H ASP 21 2.861 -0.275 5.820 166 HA ASP 21 HA ASP 21 1.934 1.862 4.024 167 1HB ASP 21 1HB ASP 21 4.243 2.191 3.333 168 2HB ASP 21 2HB ASP 21 4.090 2.372 5.075 169 H VAL 22 H VAL 22 1.818 1.513 1.874 170 HA VAL 22 HA VAL 22 1.932 -1.312 1.057 171 HB VAL 22 HB VAL 22 0.338 0.916 -0.222 172 1HG1 VAL 22 1HG1 VAL 22 0.213 -2.077 -0.575 173 2HG1 VAL 22 2HG1 VAL 22 -0.858 -0.903 -1.343 174 3HG1 VAL 22 3HG1 VAL 22 0.862 -0.916 -1.736 175 1HG2 VAL 22 1HG2 VAL 22 -0.466 0.516 2.042 176 2HG2 VAL 22 2HG2 VAL 22 -1.631 -0.069 0.852 177 3HG2 VAL 22 3HG2 VAL 22 -0.589 -1.211 1.705 178 H PHE 23 H PHE 23 3.620 -1.803 -0.166 179 HA PHE 23 HA PHE 23 5.021 0.199 -1.705 180 1HB PHE 23 1HB PHE 23 5.405 -2.786 -1.420 181 2HB PHE 23 2HB PHE 23 6.429 -1.763 -2.421 182 HD1 PHE 23 HD1 PHE 23 5.800 -3.013 0.874 183 HD2 PHE 23 HD2 PHE 23 7.724 0.087 -1.312 184 HE1 PHE 23 HE1 PHE 23 7.227 -2.535 2.821 185 HE2 PHE 23 HE2 PHE 23 9.156 0.575 0.629 186 HZ PHE 23 HZ PHE 23 8.910 -0.738 2.702 187 H THR 24 H THR 24 4.187 0.874 -3.544 188 HA THR 24 HA THR 24 3.241 -1.141 -5.467 189 HB THR 24 HB THR 24 1.621 0.702 -6.269 190 HG1 THR 24 HG1 THR 24 2.177 1.584 -3.613 191 1HG2 THR 24 1HG2 THR 24 1.127 -0.720 -3.650 192 2HG2 THR 24 2HG2 THR 24 -0.119 -0.003 -4.672 193 3HG2 THR 24 3HG2 THR 24 0.834 -1.364 -5.266 194 H ASP 25 H ASP 25 3.521 -0.522 -7.704 195 HA ASP 25 HA ASP 25 5.627 1.488 -8.082 196 1HB ASP 25 1HB ASP 25 6.100 0.439 -10.177 197 2HB ASP 25 2HB ASP 25 5.884 -0.859 -9.008 198 H VAL 26 H VAL 26 2.387 1.288 -8.104 199 HA VAL 26 HA VAL 26 1.699 2.652 -10.502 200 HB VAL 26 HB VAL 26 0.067 2.433 -7.968 201 1HG1 VAL 26 1HG1 VAL 26 -1.845 2.647 -9.477 202 2HG1 VAL 26 2HG1 VAL 26 -0.784 4.053 -9.574 203 3HG1 VAL 26 3HG1 VAL 26 -0.746 2.830 -10.844 204 1HG2 VAL 26 1HG2 VAL 26 -0.922 0.424 -8.970 205 2HG2 VAL 26 2HG2 VAL 26 0.231 0.526 -10.299 206 3HG2 VAL 26 3HG2 VAL 26 0.801 0.222 -8.659 207 H ARG 27 H ARG 27 1.112 4.799 -10.775 208 HA ARG 27 HA ARG 27 2.414 6.608 -8.886 209 1HB ARG 27 1HB ARG 27 2.465 8.199 -10.750 210 2HB ARG 27 2HB ARG 27 3.182 6.663 -11.224 211 1HG ARG 27 1HG ARG 27 0.936 6.062 -12.211 212 2HG ARG 27 2HG ARG 27 0.483 7.749 -11.961 213 1HD ARG 27 1HD ARG 27 2.456 8.415 -13.323 214 2HD ARG 27 2HD ARG 27 2.735 6.706 -13.664 215 HE ARG 27 HE ARG 27 0.352 8.228 -14.500 216 1HH1 ARG 27 1HH1 ARG 27 2.635 5.599 -14.962 217 2HH1 ARG 27 2HH1 ARG 27 1.888 5.046 -16.433 218 1HH2 ARG 27 1HH2 ARG 27 -0.593 7.538 -16.445 219 2HH2 ARG 27 2HH2 ARG 27 0.046 6.152 -17.281 220 H ASP 28 H ASP 28 -0.317 5.418 -8.735 221 HA ASP 28 HA ASP 28 -1.937 7.878 -8.763 222 1HB ASP 28 1HB ASP 28 -2.858 5.047 -9.316 223 2HB ASP 28 2HB ASP 28 -3.892 6.471 -9.278 224 H ASP 29 H ASP 29 -2.658 8.469 -6.838 225 HA ASP 29 HA ASP 29 -2.261 6.931 -4.488 226 1HB ASP 29 1HB ASP 29 -4.055 9.340 -4.897 227 2HB ASP 29 2HB ASP 29 -3.537 8.698 -3.343 228 H LYS 30 H LYS 30 -5.073 7.678 -6.471 229 HA LYS 30 HA LYS 30 -7.014 6.418 -4.847 230 1HB LYS 30 1HB LYS 30 -7.474 8.105 -6.617 231 2HB LYS 30 2HB LYS 30 -7.056 6.911 -7.833 232 1HG LYS 30 1HG LYS 30 -9.451 7.129 -7.629 233 2HG LYS 30 2HG LYS 30 -8.939 5.524 -7.107 234 1HD LYS 30 1HD LYS 30 -9.227 6.075 -4.825 235 2HD LYS 30 2HD LYS 30 -9.379 7.795 -5.185 236 1HE LYS 30 1HE LYS 30 -11.540 6.701 -4.659 237 2HE LYS 30 2HE LYS 30 -11.495 7.447 -6.254 238 1HZ LYS 30 1HZ LYS 30 -12.530 5.292 -6.357 239 2HZ LYS 30 2HZ LYS 30 -11.070 5.256 -7.213 240 3HZ LYS 30 3HZ LYS 30 -11.164 4.552 -5.673 241 H LYS 31 H LYS 31 -4.908 5.277 -7.399 242 HA LYS 31 HA LYS 31 -6.157 2.714 -7.651 243 1HB LYS 31 1HB LYS 31 -4.801 3.805 -9.451 244 2HB LYS 31 2HB LYS 31 -3.364 3.533 -8.476 245 1HG LYS 31 1HG LYS 31 -3.531 1.837 -10.174 246 2HG LYS 31 2HG LYS 31 -3.783 1.107 -8.587 247 1HD LYS 31 1HD LYS 31 -6.180 1.093 -8.940 248 2HD LYS 31 2HD LYS 31 -5.983 1.923 -10.485 249 1HE LYS 31 1HE LYS 31 -4.713 0.015 -11.343 250 2HE LYS 31 2HE LYS 31 -4.910 -0.812 -9.800 251 1HZ LYS 31 1HZ LYS 31 -7.143 0.001 -11.585 252 2HZ LYS 31 2HZ LYS 31 -6.490 -1.563 -11.493 253 3HZ LYS 31 3HZ LYS 31 -7.278 -0.892 -10.145 254 H ALA 32 H ALA 32 -3.377 4.019 -5.892 255 HA ALA 32 HA ALA 32 -2.451 1.635 -4.756 256 1HB ALA 32 1HB ALA 32 -1.222 3.756 -4.648 257 2HB ALA 32 2HB ALA 32 -2.437 4.397 -3.541 258 3HB ALA 32 3HB ALA 32 -1.428 3.039 -3.048 259 H ILE 33 H ILE 33 -4.944 3.913 -3.684 260 HA ILE 33 HA ILE 33 -5.770 2.730 -1.323 261 HB ILE 33 HB ILE 33 -7.503 3.980 -3.470 262 1HG1 ILE 33 1HG1 ILE 33 -6.385 5.174 -0.924 263 2HG1 ILE 33 2HG1 ILE 33 -5.724 5.444 -2.535 264 1HG2 ILE 33 1HG2 ILE 33 -8.850 2.613 -1.986 265 2HG2 ILE 33 2HG2 ILE 33 -8.141 3.407 -0.581 266 3HG2 ILE 33 3HG2 ILE 33 -9.159 4.324 -1.691 267 1HD1 ILE 33 1HD1 ILE 33 -8.483 6.214 -1.612 268 2HD1 ILE 33 2HD1 ILE 33 -7.111 7.304 -1.816 269 3HD1 ILE 33 3HD1 ILE 33 -7.811 6.496 -3.219 270 H GLU 34 H GLU 34 -6.730 1.974 -4.643 271 HA GLU 34 HA GLU 34 -8.602 -0.021 -4.071 272 1HB GLU 34 1HB GLU 34 -8.290 1.064 -6.282 273 2HB GLU 34 2HB GLU 34 -6.799 0.158 -6.487 274 1HG GLU 34 1HG GLU 34 -8.027 -1.927 -6.468 275 2HG GLU 34 2HG GLU 34 -9.534 -1.059 -6.170 276 H PHE 35 H PHE 35 -5.088 -0.247 -4.557 277 HA PHE 35 HA PHE 35 -4.970 -3.078 -4.381 278 1HB PHE 35 1HB PHE 35 -2.897 -0.920 -4.035 279 2HB PHE 35 2HB PHE 35 -2.509 -2.623 -3.806 280 HD1 PHE 35 HD1 PHE 35 -2.970 -4.212 -5.739 281 HD2 PHE 35 HD2 PHE 35 -2.899 0.019 -6.165 282 HE1 PHE 35 HE1 PHE 35 -2.618 -4.468 -8.159 283 HE2 PHE 35 HE2 PHE 35 -2.555 -0.231 -8.587 284 HZ PHE 35 HZ PHE 35 -2.408 -2.473 -9.587 285 H ALA 36 H ALA 36 -4.604 -0.494 -1.986 286 HA ALA 36 HA ALA 36 -3.993 -2.152 0.214 287 1HB ALA 36 1HB ALA 36 -3.661 0.268 0.260 288 2HB ALA 36 2HB ALA 36 -5.406 0.514 0.196 289 3HB ALA 36 3HB ALA 36 -4.675 -0.262 1.602 290 H LYS 37 H LYS 37 -7.061 -0.989 -1.109 291 HA LYS 37 HA LYS 37 -8.679 -2.135 0.914 292 1HB LYS 37 1HB LYS 37 -9.345 -1.251 -1.893 293 2HB LYS 37 2HB LYS 37 -10.547 -1.781 -0.720 294 1HG LYS 37 1HG LYS 37 -9.747 0.025 0.796 295 2HG LYS 37 2HG LYS 37 -8.735 0.607 -0.522 296 1HD LYS 37 1HD LYS 37 -10.818 1.866 -0.419 297 2HD LYS 37 2HD LYS 37 -10.729 0.929 -1.910 298 1HE LYS 37 1HE LYS 37 -12.186 -0.761 -0.969 299 2HE LYS 37 2HE LYS 37 -12.210 0.084 0.576 300 1HZ LYS 37 1HZ LYS 37 -13.412 1.864 -0.362 301 2HZ LYS 37 2HZ LYS 37 -13.180 1.296 -1.942 302 3HZ LYS 37 3HZ LYS 37 -14.188 0.449 -0.880 303 H GLN 38 H GLN 38 -7.393 -3.369 -2.100 304 HA GLN 38 HA GLN 38 -8.905 -5.723 -2.273 305 1HB GLN 38 1HB GLN 38 -6.115 -5.025 -3.141 306 2HB GLN 38 2HB GLN 38 -6.722 -6.665 -3.324 307 1HG GLN 38 1HG GLN 38 -8.555 -5.845 -4.703 308 2HG GLN 38 2HG GLN 38 -7.968 -4.193 -4.505 309 1HE2 GLN 38 2HE2 GLN 38 -6.167 -3.526 -5.628 310 2HE2 GLN 38 1HE2 GLN 38 -5.469 -4.450 -6.914 311 H TRP 39 H TRP 39 -5.976 -4.984 -0.450 312 HA TRP 39 HA TRP 39 -5.685 -7.559 0.709 313 1HB TRP 39 1HB TRP 39 -3.852 -5.913 0.619 314 2HB TRP 39 2HB TRP 39 -4.743 -4.860 1.710 315 HD1 TRP 39 HD1 TRP 39 -3.311 -8.471 1.781 316 HE1 TRP 39 HE1 TRP 39 -2.422 -8.923 4.155 317 HE3 TRP 39 HE3 TRP 39 -4.619 -4.049 3.988 318 HZ2 TRP 39 HZ2 TRP 39 -2.287 -7.578 6.630 319 HZ3 TRP 39 HZ3 TRP 39 -4.068 -3.711 6.363 320 HH2 TRP 39 HH2 TRP 39 -2.928 -5.441 7.655 321 H LEU 40 H LEU 40 -7.149 -4.535 1.832 322 HA LEU 40 HA LEU 40 -7.968 -5.373 4.358 323 1HB LEU 40 1HB LEU 40 -9.246 -3.376 2.494 324 2HB LEU 40 2HB LEU 40 -9.659 -3.554 4.188 325 HG LEU 40 HG LEU 40 -6.937 -2.758 3.150 326 1HD1 LEU 40 1HD1 LEU 40 -7.490 -0.544 4.040 327 2HD1 LEU 40 2HD1 LEU 40 -8.583 -1.017 2.738 328 3HD1 LEU 40 3HD1 LEU 40 -9.118 -1.106 4.417 329 1HD2 LEU 40 1HD2 LEU 40 -6.850 -3.953 5.281 330 2HD2 LEU 40 2HD2 LEU 40 -6.455 -2.246 5.489 331 3HD2 LEU 40 3HD2 LEU 40 -8.047 -2.847 5.955 332 H SER 41 H SER 41 -9.837 -5.390 1.318 333 HA SER 41 HA SER 41 -12.220 -6.363 2.415 334 1HB SER 41 1HB SER 41 -11.206 -6.775 -0.407 335 2HB SER 41 2HB SER 41 -12.886 -6.846 0.125 336 HG SER 41 HG SER 41 -11.166 -4.604 -0.027 337 H SER 42 H SER 42 -9.321 -8.018 1.431 338 HA SER 42 HA SER 42 -10.520 -10.622 1.391 339 1HB SER 42 1HB SER 42 -7.600 -9.825 1.492 340 2HB SER 42 2HB SER 42 -8.221 -11.435 1.125 341 HG SER 42 HG SER 42 -8.267 -9.096 -0.428 342 H ILE 43 H ILE 43 -8.630 -8.728 3.730 343 HA ILE 43 HA ILE 43 -8.426 -10.936 5.559 344 HB ILE 43 HB ILE 43 -7.408 -9.370 7.131 345 1HG1 ILE 43 1HG1 ILE 43 -7.940 -7.246 5.039 346 2HG1 ILE 43 2HG1 ILE 43 -8.816 -7.398 6.558 347 1HG2 ILE 43 1HG2 ILE 43 -6.011 -10.402 5.447 348 2HG2 ILE 43 2HG2 ILE 43 -6.377 -9.105 4.310 349 3HG2 ILE 43 3HG2 ILE 43 -5.451 -8.762 5.772 350 1HD1 ILE 43 1HD1 ILE 43 -6.758 -6.976 7.791 351 2HD1 ILE 43 2HD1 ILE 43 -5.872 -6.843 6.272 352 3HD1 ILE 43 3HD1 ILE 43 -7.119 -5.663 6.671 353 H GLY 44 H GLY 44 -10.759 -8.447 4.994 354 1HA GLY 44 1HA GLY 44 -12.893 -9.392 6.191 355 2HA GLY 44 2HA GLY 44 -11.988 -8.920 7.618 356 H GLU 45 H GLU 45 -10.905 -6.593 5.947 357 HA GLU 45 HA GLU 45 -13.027 -4.783 6.731 358 1HB GLU 45 1HB GLU 45 -10.178 -4.355 5.862 359 2HB GLU 45 2HB GLU 45 -11.301 -3.018 6.071 360 1HG GLU 45 1HG GLU 45 -10.592 -5.007 8.215 361 2HG GLU 45 2HG GLU 45 -9.849 -3.419 8.026 362 H GLU 46 H GLU 46 -14.221 -5.928 4.902 363 HA GLU 46 HA GLU 46 -13.791 -4.755 2.286 364 1HB GLU 46 1HB GLU 46 -15.888 -5.976 1.704 365 2HB GLU 46 2HB GLU 46 -14.627 -7.012 2.360 366 1HG GLU 46 1HG GLU 46 -15.731 -7.006 4.528 367 2HG GLU 46 2HG GLU 46 -16.984 -5.938 3.896 368 H GLY 47 H GLY 47 -14.537 -3.283 4.870 369 1HA GLY 47 1HA GLY 47 -16.232 -1.342 3.574 370 2HA GLY 47 2HA GLY 47 -16.962 -2.123 4.971 371 H ALA 48 H ALA 48 -14.155 -0.285 3.904 372 HA ALA 48 HA ALA 48 -14.018 0.937 6.572 373 1HB ALA 48 1HB ALA 48 -11.588 0.804 6.578 374 2HB ALA 48 2HB ALA 48 -12.293 -0.809 6.472 375 3HB ALA 48 3HB ALA 48 -11.614 -0.047 5.033 376 H THR 49 H THR 49 -13.125 3.049 6.595 377 HA THR 49 HA THR 49 -13.569 4.447 4.094 378 HB THR 49 HB THR 49 -12.949 5.605 6.816 379 HG1 THR 49 HG1 THR 49 -15.352 5.989 6.667 380 1HG2 THR 49 1HG2 THR 49 -14.143 6.830 4.323 381 2HG2 THR 49 2HG2 THR 49 -13.989 7.640 5.883 382 3HG2 THR 49 3HG2 THR 49 -12.545 7.167 4.989 383 H VAL 50 H VAL 50 -11.815 4.118 2.820 384 HA VAL 50 HA VAL 50 -9.333 5.393 3.749 385 HB VAL 50 HB VAL 50 -9.559 3.047 1.846 386 1HG1 VAL 50 1HG1 VAL 50 -7.129 4.612 2.714 387 2HG1 VAL 50 2HG1 VAL 50 -7.096 3.107 1.793 388 3HG1 VAL 50 3HG1 VAL 50 -7.819 4.555 1.092 389 1HG2 VAL 50 1HG2 VAL 50 -8.285 3.265 4.570 390 2HG2 VAL 50 2HG2 VAL 50 -9.778 2.407 4.186 391 3HG2 VAL 50 3HG2 VAL 50 -8.243 1.846 3.524 392 H THR 51 H THR 51 -9.653 7.376 2.890 393 HA THR 51 HA THR 51 -10.238 7.540 0.011 394 HB THR 51 HB THR 51 -10.757 9.911 0.408 395 HG1 THR 51 HG1 THR 51 -10.089 9.266 3.118 396 1HG2 THR 51 1HG2 THR 51 -12.181 8.060 2.323 397 2HG2 THR 51 2HG2 THR 51 -12.786 9.618 1.759 398 3HG2 THR 51 3HG2 THR 51 -12.568 8.292 0.617 399 H SER 52 H SER 52 -9.128 9.984 -0.596 400 HA SER 52 HA SER 52 -6.361 9.355 -0.851 401 1HB SER 52 1HB SER 52 -7.736 10.706 -2.487 402 2HB SER 52 2HB SER 52 -7.677 12.038 -1.336 403 HG SER 52 HG SER 52 -5.370 11.950 -1.514 404 H GLU 53 H GLU 53 -8.065 10.420 1.731 405 HA GLU 53 HA GLU 53 -6.040 12.172 2.859 406 1HB GLU 53 1HB GLU 53 -8.526 12.511 3.170 407 2HB GLU 53 2HB GLU 53 -8.534 11.059 4.158 408 1HG GLU 53 1HG GLU 53 -8.487 12.971 5.583 409 2HG GLU 53 2HG GLU 53 -6.930 12.149 5.691 410 H GLU 54 H GLU 54 -7.233 8.882 3.133 411 HA GLU 54 HA GLU 54 -5.719 8.309 5.520 412 1HB GLU 54 1HB GLU 54 -7.440 6.645 3.698 413 2HB GLU 54 2HB GLU 54 -6.471 5.908 4.964 414 1HG GLU 54 1HG GLU 54 -8.765 6.240 5.685 415 2HG GLU 54 2HG GLU 54 -7.649 7.203 6.650 416 H CYS 55 H CYS 55 -5.311 7.912 2.079 417 HA CYS 55 HA CYS 55 -2.950 6.251 2.471 418 1HB CYS 55 1HB CYS 55 -2.896 6.145 0.000 419 2HB CYS 55 2HB CYS 55 -4.444 5.626 0.660 420 HG CYS 55 HG CYS 55 -4.071 8.841 -0.381 421 H ARG 56 H ARG 56 -1.264 7.386 3.195 422 HA ARG 56 HA ARG 56 -0.755 10.051 2.098 423 1HB ARG 56 1HB ARG 56 0.158 8.591 4.549 424 2HB ARG 56 2HB ARG 56 1.081 9.962 3.947 425 1HG ARG 56 1HG ARG 56 -0.904 11.377 4.138 426 2HG ARG 56 2HG ARG 56 -1.820 10.001 4.760 427 1HD ARG 56 1HD ARG 56 -0.846 11.647 6.463 428 2HD ARG 56 2HD ARG 56 -0.584 9.925 6.746 429 HE ARG 56 HE ARG 56 1.669 10.234 6.441 430 1HH1 ARG 56 1HH1 ARG 56 -0.024 13.121 5.403 431 2HH1 ARG 56 2HH1 ARG 56 1.432 14.019 5.084 432 1HH2 ARG 56 1HH2 ARG 56 3.575 11.406 6.038 433 2HH2 ARG 56 2HH2 ARG 56 3.485 13.031 5.428 434 H PHE 57 H PHE 57 0.362 9.956 0.238 435 HA PHE 57 HA PHE 57 2.452 8.096 -0.275 436 1HB PHE 57 1HB PHE 57 1.314 9.203 -2.123 437 2HB PHE 57 2HB PHE 57 1.827 10.780 -1.535 438 HD1 PHE 57 HD1 PHE 57 3.117 7.563 -2.855 439 HD2 PHE 57 HD2 PHE 57 3.828 11.715 -2.260 440 HE1 PHE 57 HE1 PHE 57 5.140 7.413 -4.244 441 HE2 PHE 57 HE2 PHE 57 5.854 11.574 -3.648 442 HZ PHE 57 HZ PHE 57 6.512 9.418 -4.643 443 H CYS 58 H CYS 58 4.104 8.033 1.125 444 HA CYS 58 HA CYS 58 5.144 10.429 2.333 445 1HB CYS 58 1HB CYS 58 6.022 7.544 2.459 446 2HB CYS 58 2HB CYS 58 6.835 8.843 3.326 447 HG CYS 58 HG CYS 58 5.175 7.328 5.055 448 H HIS 59 H HIS 59 6.453 7.969 0.096 449 HA HIS 59 HA HIS 59 7.921 9.878 -1.388 450 1HB HIS 59 1HB HIS 59 10.202 9.255 -0.741 451 2HB HIS 59 2HB HIS 59 9.332 9.942 0.619 452 HD1 HIS 59 HD1 HIS 59 8.875 8.397 2.636 453 HD2 HIS 59 HD2 HIS 59 10.882 6.545 -0.497 454 HE1 HIS 59 HE1 HIS 59 9.639 6.181 3.537 455 HE2 HIS 59 HE2 HIS 59 11.103 5.225 1.715 456 H SER 60 H SER 60 9.687 8.740 -2.698 457 HA SER 60 HA SER 60 9.190 5.881 -3.109 458 1HB SER 60 1HB SER 60 9.324 7.929 -5.344 459 2HB SER 60 2HB SER 60 9.251 6.180 -5.562 460 HG SER 60 HG SER 60 7.268 6.899 -3.948 461 H GLU 61 H GLU 61 11.114 4.943 -2.751 462 HA GLU 61 HA GLU 61 13.531 6.470 -3.449 463 1HB GLU 61 1HB GLU 61 14.594 5.684 -1.410 464 2HB GLU 61 2HB GLU 61 13.117 6.556 -1.030 465 1HG GLU 61 1HG GLU 61 11.948 4.436 -0.690 466 2HG GLU 61 2HG GLU 61 13.431 3.561 -1.075 467 H LYS 62 H LYS 62 15.431 4.620 -2.767 468 HA LYS 62 HA LYS 62 15.448 2.918 -4.996 469 1HB LYS 62 1HB LYS 62 17.528 3.607 -4.022 470 2HB LYS 62 2HB LYS 62 17.102 2.901 -2.469 471 1HG LYS 62 1HG LYS 62 17.196 0.673 -3.441 472 2HG LYS 62 2HG LYS 62 17.581 1.368 -5.015 473 1HD LYS 62 1HD LYS 62 19.677 2.198 -4.208 474 2HD LYS 62 2HD LYS 62 19.274 1.749 -2.548 475 1HE LYS 62 1HE LYS 62 19.502 -0.228 -4.807 476 2HE LYS 62 2HE LYS 62 20.838 0.182 -3.735 477 1HZ LYS 62 1HZ LYS 62 18.277 -0.695 -2.575 478 2HZ LYS 62 2HZ LYS 62 19.342 -1.853 -3.217 479 3HZ LYS 62 3HZ LYS 62 19.848 -0.841 -1.953 480 H ALA 63 H ALA 63 14.337 1.170 -5.335 481 HA ALA 63 HA ALA 63 12.921 -0.177 -3.243 482 1HB ALA 63 1HB ALA 63 11.992 -1.535 -5.014 483 2HB ALA 63 2HB ALA 63 11.955 0.170 -5.472 484 3HB ALA 63 3HB ALA 63 13.180 -0.900 -6.155 485 HA PRO 64 HA PRO 64 16.084 -3.295 -2.537 486 1HB PRO 64 1HB PRO 64 14.580 -4.775 -0.811 487 2HB PRO 64 2HB PRO 64 15.457 -3.321 -0.326 488 1HG PRO 64 1HG PRO 64 12.560 -3.659 -0.975 489 2HG PRO 64 2HG PRO 64 13.317 -2.705 0.313 490 1HD PRO 64 1HD PRO 64 12.395 -1.599 -1.986 491 2HD PRO 64 2HD PRO 64 13.782 -0.943 -1.093 492 H ASP 65 H ASP 65 16.413 -5.273 -3.471 493 HA ASP 65 HA ASP 65 14.754 -6.070 -5.568 494 1HB ASP 65 1HB ASP 65 16.244 -8.015 -5.735 495 2HB ASP 65 2HB ASP 65 17.146 -6.522 -5.533 496 H GLU 66 H GLU 66 14.686 -6.882 -2.232 497 HA GLU 66 HA GLU 66 13.355 -9.325 -2.231 498 1HB GLU 66 1HB GLU 66 14.276 -8.244 -0.220 499 2HB GLU 66 2HB GLU 66 13.035 -7.006 -0.318 500 1HG GLU 66 1HG GLU 66 12.411 -8.570 1.363 501 2HG GLU 66 2HG GLU 66 11.321 -8.768 -0.010 502 H VAL 67 H VAL 67 11.969 -6.027 -2.208 503 HA VAL 67 HA VAL 67 9.285 -7.041 -2.249 504 HB VAL 67 HB VAL 67 8.563 -4.708 -2.445 505 1HG1 VAL 67 1HG1 VAL 67 9.467 -3.900 -0.319 506 2HG1 VAL 67 2HG1 VAL 67 9.045 -5.610 -0.243 507 3HG1 VAL 67 3HG1 VAL 67 10.733 -5.125 -0.396 508 1HG2 VAL 67 1HG2 VAL 67 10.215 -2.891 -2.416 509 2HG2 VAL 67 2HG2 VAL 67 11.504 -4.073 -2.633 510 3HG2 VAL 67 3HG2 VAL 67 10.297 -3.841 -3.899 511 H ILE 68 H ILE 68 11.611 -6.213 -4.637 512 HA ILE 68 HA ILE 68 9.996 -5.488 -6.795 513 HB ILE 68 HB ILE 68 12.553 -7.101 -6.881 514 1HG1 ILE 68 1HG1 ILE 68 12.856 -4.988 -5.691 515 2HG1 ILE 68 2HG1 ILE 68 13.660 -4.931 -7.255 516 1HG2 ILE 68 1HG2 ILE 68 11.315 -7.209 -8.983 517 2HG2 ILE 68 2HG2 ILE 68 11.239 -5.448 -9.034 518 3HG2 ILE 68 3HG2 ILE 68 12.794 -6.267 -9.161 519 1HD1 ILE 68 1HD1 ILE 68 12.523 -2.843 -6.753 520 2HD1 ILE 68 2HD1 ILE 68 11.814 -3.633 -8.163 521 3HD1 ILE 68 3HD1 ILE 68 10.991 -3.705 -6.605 522 H GLU 69 H GLU 69 11.048 -8.688 -5.704 523 HA GLU 69 HA GLU 69 9.786 -10.147 -7.769 524 1HB GLU 69 1HB GLU 69 10.453 -11.087 -4.973 525 2HB GLU 69 2HB GLU 69 10.190 -12.101 -6.385 526 1HG GLU 69 1HG GLU 69 12.453 -10.149 -6.008 527 2HG GLU 69 2HG GLU 69 12.555 -11.901 -5.848 528 H ALA 70 H ALA 70 8.779 -9.189 -4.526 529 HA ALA 70 HA ALA 70 6.384 -10.669 -4.429 530 1HB ALA 70 1HB ALA 70 5.789 -9.251 -2.551 531 2HB ALA 70 2HB ALA 70 7.485 -9.728 -2.447 532 3HB ALA 70 3HB ALA 70 7.055 -8.105 -2.991 533 H ILE 71 H ILE 71 7.011 -7.286 -5.332 534 HA ILE 71 HA ILE 71 4.297 -6.649 -5.861 535 HB ILE 71 HB ILE 71 6.801 -5.311 -6.907 536 1HG1 ILE 71 1HG1 ILE 71 5.042 -4.617 -4.542 537 2HG1 ILE 71 2HG1 ILE 71 6.624 -5.382 -4.436 538 1HG2 ILE 71 1HG2 ILE 71 5.371 -3.353 -7.281 539 2HG2 ILE 71 2HG2 ILE 71 4.852 -4.731 -8.253 540 3HG2 ILE 71 3HG2 ILE 71 3.959 -4.295 -6.796 541 1HD1 ILE 71 1HD1 ILE 71 7.646 -3.399 -5.423 542 2HD1 ILE 71 2HD1 ILE 71 6.062 -2.633 -5.522 543 3HD1 ILE 71 3HD1 ILE 71 6.762 -3.014 -3.949 544 H LYS 72 H LYS 72 6.801 -8.155 -7.755 545 HA LYS 72 HA LYS 72 5.559 -7.789 -10.295 546 1HB LYS 72 1HB LYS 72 7.971 -8.311 -9.986 547 2HB LYS 72 2HB LYS 72 7.524 -9.920 -9.438 548 1HG LYS 72 1HG LYS 72 6.575 -10.427 -11.610 549 2HG LYS 72 2HG LYS 72 6.929 -8.788 -12.164 550 1HD LYS 72 1HD LYS 72 8.971 -10.833 -11.289 551 2HD LYS 72 2HD LYS 72 8.600 -10.399 -12.958 552 1HE LYS 72 1HE LYS 72 9.698 -8.542 -10.848 553 2HE LYS 72 2HE LYS 72 10.619 -9.265 -12.168 554 1HZ LYS 72 1HZ LYS 72 10.000 -7.019 -12.719 555 2HZ LYS 72 2HZ LYS 72 9.171 -8.090 -13.737 556 3HZ LYS 72 3HZ LYS 72 8.359 -7.351 -12.444 557 H GLN 73 H GLN 73 5.251 -10.110 -7.725 558 HA GLN 73 HA GLN 73 3.769 -11.991 -9.354 559 1HB GLN 73 1HB GLN 73 4.469 -11.966 -6.416 560 2HB GLN 73 2HB GLN 73 3.590 -13.267 -7.210 561 1HG GLN 73 1HG GLN 73 5.457 -13.830 -8.552 562 2HG GLN 73 2HG GLN 73 6.320 -12.368 -8.080 563 1HE2 GLN 73 2HE2 GLN 73 4.523 -14.312 -5.799 564 2HE2 GLN 73 1HE2 GLN 73 5.904 -14.907 -4.935 565 H ASN 74 H ASN 74 3.104 -9.798 -6.634 566 HA ASN 74 HA ASN 74 0.283 -10.568 -6.725 567 1HB ASN 74 1HB ASN 74 1.803 -8.859 -4.747 568 2HB ASN 74 2HB ASN 74 0.096 -9.271 -4.619 569 1HD2 ASN 74 2HD2 ASN 74 2.351 -9.860 -2.842 570 2HD2 ASN 74 1HD2 ASN 74 2.367 -11.581 -2.664 571 H GLY 75 H GLY 75 2.350 -7.904 -7.546 572 1HA GLY 75 1HA GLY 75 1.705 -6.058 -8.868 573 2HA GLY 75 2HA GLY 75 0.022 -6.387 -8.467 574 H TYR 76 H TYR 76 1.388 -6.707 -5.630 575 HA TYR 76 HA TYR 76 1.879 -3.992 -4.853 576 1HB TYR 76 1HB TYR 76 -0.054 -3.870 -3.280 577 2HB TYR 76 2HB TYR 76 -0.551 -3.878 -4.968 578 HD1 TYR 76 HD1 TYR 76 -0.465 -5.830 -1.852 579 HD2 TYR 76 HD2 TYR 76 -1.816 -5.725 -5.884 580 HE1 TYR 76 HE1 TYR 76 -1.958 -7.725 -1.394 581 HE2 TYR 76 HE2 TYR 76 -3.312 -7.624 -5.434 582 HH TYR 76 HH TYR 76 -3.532 -9.464 -3.877 583 H PHE 77 H PHE 77 2.365 -3.869 -2.511 584 HA PHE 77 HA PHE 77 2.593 -6.425 -1.134 585 1HB PHE 77 1HB PHE 77 4.763 -6.105 -2.314 586 2HB PHE 77 2HB PHE 77 4.973 -4.580 -1.458 587 HD1 PHE 77 HD1 PHE 77 6.049 -4.544 0.599 588 HD2 PHE 77 HD2 PHE 77 4.491 -8.219 -0.873 589 HE1 PHE 77 HE1 PHE 77 7.116 -5.738 2.467 590 HE2 PHE 77 HE2 PHE 77 5.555 -9.423 0.991 591 HZ PHE 77 HZ PHE 77 6.869 -8.182 2.666 592 H ILE 78 H ILE 78 1.344 -5.963 0.568 593 HA ILE 78 HA ILE 78 1.501 -3.390 1.899 594 HB ILE 78 HB ILE 78 -0.173 -5.856 2.395 595 1HG1 ILE 78 1HG1 ILE 78 -2.037 -4.171 2.110 596 2HG1 ILE 78 2HG1 ILE 78 -0.814 -3.011 1.612 597 1HG2 ILE 78 1HG2 ILE 78 0.481 -4.996 4.574 598 2HG2 ILE 78 2HG2 ILE 78 -0.072 -3.385 4.115 599 3HG2 ILE 78 3HG2 ILE 78 -1.232 -4.705 4.271 600 1HD1 ILE 78 1HD1 ILE 78 -0.218 -4.455 -0.261 601 2HD1 ILE 78 2HD1 ILE 78 -1.457 -5.606 0.240 602 3HD1 ILE 78 3HD1 ILE 78 -1.919 -3.991 -0.298 603 H TYR 79 H TYR 79 3.066 -2.995 3.346 604 HA TYR 79 HA TYR 79 4.263 -5.262 4.744 605 1HB TYR 79 1HB TYR 79 5.776 -3.562 3.747 606 2HB TYR 79 2HB TYR 79 5.086 -2.351 4.826 607 HD1 TYR 79 HD1 TYR 79 5.687 -2.278 7.154 608 HD2 TYR 79 HD2 TYR 79 7.152 -5.390 4.654 609 HE1 TYR 79 HE1 TYR 79 7.266 -2.940 8.916 610 HE2 TYR 79 HE2 TYR 79 8.739 -6.059 6.408 611 HH TYR 79 HH TYR 79 8.474 -5.087 9.573 612 H LYS 80 H LYS 80 3.550 -5.835 6.648 613 HA LYS 80 HA LYS 80 1.647 -4.291 8.105 614 1HB LYS 80 1HB LYS 80 3.177 -6.773 8.922 615 2HB LYS 80 2HB LYS 80 1.755 -6.128 9.734 616 1HG LYS 80 1HG LYS 80 0.380 -6.585 7.826 617 2HG LYS 80 2HG LYS 80 1.787 -7.054 6.870 618 1HD LYS 80 1HD LYS 80 2.185 -8.912 8.453 619 2HD LYS 80 2HD LYS 80 0.700 -8.472 9.300 620 1HE LYS 80 1HE LYS 80 -0.607 -8.918 7.316 621 2HE LYS 80 2HE LYS 80 0.856 -9.237 6.386 622 1HZ LYS 80 1HZ LYS 80 1.302 -11.133 7.837 623 2HZ LYS 80 2HZ LYS 80 -0.139 -10.837 8.686 624 3HZ LYS 80 3HZ LYS 80 -0.189 -11.291 7.052 625 H MET 81 H MET 81 2.439 -2.396 8.852 626 HA MET 81 HA MET 81 5.108 -2.188 9.882 627 1HB MET 81 1HB MET 81 4.136 -0.377 8.560 628 2HB MET 81 2HB MET 81 2.891 -0.138 9.777 629 1HG MET 81 1HG MET 81 4.653 0.452 11.405 630 2HG MET 81 2HG MET 81 5.848 0.310 10.117 631 1HE MET 81 1HE MET 81 5.894 1.890 7.969 632 2HE MET 81 2HE MET 81 4.725 3.182 7.685 633 3HE MET 81 3HE MET 81 4.205 1.498 7.635 634 H GLU 82 H GLU 82 2.203 -0.834 11.436 635 HA GLU 82 HA GLU 82 3.150 -2.013 13.962 636 1HB GLU 82 1HB GLU 82 2.608 0.065 15.128 637 2HB GLU 82 2HB GLU 82 3.824 0.340 13.888 638 1HG GLU 82 1HG GLU 82 2.144 1.265 12.410 639 2HG GLU 82 2HG GLU 82 0.887 0.927 13.598 640 H GLY 83 H GLY 83 1.544 -2.349 15.571 641 1HA GLY 83 1HA GLY 83 -0.549 -2.951 16.322 642 2HA GLY 83 2HA GLY 83 -1.227 -1.902 15.084 643 H CYS 84 H CYS 84 0.900 -4.049 13.705 644 HA CYS 84 HA CYS 84 -1.333 -5.714 12.765 645 1HB CYS 84 1HB CYS 84 1.301 -5.164 11.385 646 2HB CYS 84 2HB CYS 84 -0.099 -5.980 10.700 647 HG CYS 84 HG CYS 84 -0.359 -2.745 11.734 648 H ASN 85 H ASN 85 -1.312 -7.645 13.710 649 HA ASN 85 HA ASN 85 1.284 -8.878 14.329 650 1HB ASN 85 1HB ASN 85 -1.460 -9.362 15.509 651 2HB ASN 85 2HB ASN 85 -0.039 -10.334 15.887 652 1HD2 ASN 85 2HD2 ASN 85 1.583 -9.468 17.146 653 2HD2 ASN 85 1HD2 ASN 85 1.383 -8.011 18.059 Start of MODEL 5 1 H MET 1 H MET 1 12.916 -1.175 -11.389 2 HA MET 1 HA MET 1 11.125 0.346 -10.891 3 1HB MET 1 1HB MET 1 10.798 -2.084 -10.541 4 2HB MET 1 2HB MET 1 11.338 -1.907 -8.877 5 1HG MET 1 1HG MET 1 9.439 -0.432 -8.423 6 2HG MET 1 2HG MET 1 8.895 -0.627 -10.088 7 1HE MET 1 1HE MET 1 9.244 -2.227 -6.567 8 2HE MET 1 2HE MET 1 10.360 -3.228 -7.495 9 3HE MET 1 3HE MET 1 8.866 -3.923 -6.867 10 H GLN 2 H GLN 2 10.248 1.898 -9.610 11 HA GLN 2 HA GLN 2 11.694 2.517 -7.122 12 1HB GLN 2 1HB GLN 2 10.176 4.302 -9.027 13 2HB GLN 2 2HB GLN 2 10.665 4.823 -7.423 14 1HG GLN 2 1HG GLN 2 12.423 5.619 -8.586 15 2HG GLN 2 2HG GLN 2 13.027 3.995 -8.283 16 1HE2 GLN 2 2HE2 GLN 2 13.742 5.833 -10.368 17 2HE2 GLN 2 1HE2 GLN 2 13.400 5.043 -11.875 18 H ILE 3 H ILE 3 10.645 1.969 -5.343 19 HA ILE 3 HA ILE 3 7.837 1.342 -5.452 20 HB ILE 3 HB ILE 3 8.091 0.789 -3.026 21 1HG1 ILE 3 1HG1 ILE 3 11.019 1.351 -3.547 22 2HG1 ILE 3 2HG1 ILE 3 9.962 2.351 -2.556 23 1HG2 ILE 3 1HG2 ILE 3 8.305 -0.919 -4.719 24 2HG2 ILE 3 2HG2 ILE 3 10.006 -0.515 -4.952 25 3HG2 ILE 3 3HG2 ILE 3 9.466 -1.213 -3.426 26 1HD1 ILE 3 1HD1 ILE 3 9.651 0.483 -1.015 27 2HD1 ILE 3 2HD1 ILE 3 10.722 -0.507 -2.008 28 3HD1 ILE 3 3HD1 ILE 3 11.351 0.920 -1.185 29 H HIS 4 H HIS 4 6.217 2.592 -4.934 30 HA HIS 4 HA HIS 4 6.748 5.231 -3.801 31 1HB HIS 4 1HB HIS 4 4.129 4.093 -4.823 32 2HB HIS 4 2HB HIS 4 4.461 5.778 -4.434 33 HD1 HIS 4 HD1 HIS 4 5.695 7.183 -6.210 34 HD2 HIS 4 HD2 HIS 4 5.239 3.181 -7.251 35 HE1 HIS 4 HE1 HIS 4 6.347 7.030 -8.629 36 HE2 HIS 4 HE2 HIS 4 6.224 4.580 -9.196 37 H VAL 5 H VAL 5 6.653 5.480 -1.686 38 HA VAL 5 HA VAL 5 5.558 3.347 -0.052 39 HB VAL 5 HB VAL 5 6.891 5.890 0.889 40 1HG1 VAL 5 1HG1 VAL 5 7.441 4.545 2.872 41 2HG1 VAL 5 2HG1 VAL 5 5.701 4.698 2.624 42 3HG1 VAL 5 3HG1 VAL 5 6.523 3.198 2.196 43 1HG2 VAL 5 1HG2 VAL 5 8.388 4.784 -0.666 44 2HG2 VAL 5 2HG2 VAL 5 8.985 4.603 0.983 45 3HG2 VAL 5 3HG2 VAL 5 8.179 3.252 0.184 46 H TYR 6 H TYR 6 3.447 3.383 0.410 47 HA TYR 6 HA TYR 6 2.192 5.983 0.988 48 1HB TYR 6 1HB TYR 6 1.054 3.388 -0.022 49 2HB TYR 6 2HB TYR 6 0.029 4.640 0.666 50 HD1 TYR 6 HD1 TYR 6 -0.237 6.794 -0.489 51 HD2 TYR 6 HD2 TYR 6 2.011 3.621 -2.214 52 HE1 TYR 6 HE1 TYR 6 -0.375 7.896 -2.680 53 HE2 TYR 6 HE2 TYR 6 1.883 4.718 -4.411 54 HH TYR 6 HH TYR 6 0.409 6.336 -5.574 55 H ASP 7 H ASP 7 1.840 6.425 3.029 56 HA ASP 7 HA ASP 7 1.671 4.297 5.030 57 1HB ASP 7 1HB ASP 7 3.110 6.208 5.545 58 2HB ASP 7 2HB ASP 7 1.771 7.317 5.294 59 H THR 8 H THR 8 -0.299 3.402 5.092 60 HA THR 8 HA THR 8 -2.622 5.097 4.543 61 HB THR 8 HB THR 8 -2.554 2.079 4.690 62 HG1 THR 8 HG1 THR 8 -1.138 3.053 3.042 63 1HG2 THR 8 1HG2 THR 8 -4.592 2.256 3.326 64 2HG2 THR 8 2HG2 THR 8 -4.781 3.075 4.875 65 3HG2 THR 8 3HG2 THR 8 -4.494 4.014 3.410 66 H TYR 9 H TYR 9 -3.896 5.744 6.112 67 HA TYR 9 HA TYR 9 -3.587 4.627 8.785 68 1HB TYR 9 1HB TYR 9 -5.312 6.955 7.918 69 2HB TYR 9 2HB TYR 9 -4.827 6.547 9.559 70 HD1 TYR 9 HD1 TYR 9 -4.105 8.533 6.734 71 HD2 TYR 9 HD2 TYR 9 -2.262 6.540 10.007 72 HE1 TYR 9 HE1 TYR 9 -2.137 9.987 6.503 73 HE2 TYR 9 HE2 TYR 9 -0.293 7.987 9.786 74 HH TYR 9 HH TYR 9 0.798 9.304 7.922 75 H VAL 10 H VAL 10 -4.653 2.604 8.449 76 HA VAL 10 HA VAL 10 -7.528 2.791 7.907 77 HB VAL 10 HB VAL 10 -5.777 0.339 8.193 78 1HG1 VAL 10 1HG1 VAL 10 -8.683 0.547 7.394 79 2HG1 VAL 10 2HG1 VAL 10 -7.719 -0.929 7.432 80 3HG1 VAL 10 3HG1 VAL 10 -8.083 -0.074 8.931 81 1HG2 VAL 10 1HG2 VAL 10 -7.045 1.606 5.764 82 2HG2 VAL 10 2HG2 VAL 10 -5.325 1.591 6.155 83 3HG2 VAL 10 3HG2 VAL 10 -6.157 0.081 5.781 84 H LYS 11 H LYS 11 -8.539 3.455 9.702 85 HA LYS 11 HA LYS 11 -7.749 2.527 12.308 86 1HB LYS 11 1HB LYS 11 -10.240 4.056 11.520 87 2HB LYS 11 2HB LYS 11 -9.635 3.824 13.155 88 1HG LYS 11 1HG LYS 11 -8.868 5.926 12.742 89 2HG LYS 11 2HG LYS 11 -7.489 4.987 12.170 90 1HD LYS 11 1HD LYS 11 -8.429 5.119 9.871 91 2HD LYS 11 2HD LYS 11 -9.693 6.183 10.494 92 1HE LYS 11 1HE LYS 11 -7.817 7.666 11.343 93 2HE LYS 11 2HE LYS 11 -6.731 6.688 10.357 94 1HZ LYS 11 1HZ LYS 11 -9.004 8.344 9.428 95 2HZ LYS 11 2HZ LYS 11 -7.361 8.575 9.087 96 3HZ LYS 11 3HZ LYS 11 -8.190 7.247 8.426 97 H ALA 12 H ALA 12 -7.971 0.369 12.395 98 HA ALA 12 HA ALA 12 -10.082 -1.091 11.221 99 1HB ALA 12 1HB ALA 12 -9.139 -3.004 12.380 100 2HB ALA 12 2HB ALA 12 -7.849 -2.028 11.672 101 3HB ALA 12 3HB ALA 12 -8.180 -1.938 13.405 102 H LYS 13 H LYS 13 -11.788 -2.237 12.219 103 HA LYS 13 HA LYS 13 -13.212 -0.710 14.125 104 1HB LYS 13 1HB LYS 13 -14.786 -2.696 14.141 105 2HB LYS 13 2HB LYS 13 -14.510 -1.927 12.585 106 1HG LYS 13 1HG LYS 13 -12.972 -3.693 11.959 107 2HG LYS 13 2HG LYS 13 -13.171 -4.450 13.542 108 1HD LYS 13 1HD LYS 13 -15.447 -3.966 11.628 109 2HD LYS 13 2HD LYS 13 -14.524 -5.469 11.684 110 1HE LYS 13 1HE LYS 13 -15.908 -4.301 14.086 111 2HE LYS 13 2HE LYS 13 -16.689 -5.440 12.989 112 1HZ LYS 13 1HZ LYS 13 -15.145 -7.112 13.547 113 2HZ LYS 13 2HZ LYS 13 -14.125 -6.029 14.366 114 3HZ LYS 13 3HZ LYS 13 -15.640 -6.434 15.017 115 H ASP 14 H ASP 14 -10.734 -2.907 14.574 116 HA ASP 14 HA ASP 14 -11.370 -3.967 17.116 117 1HB ASP 14 1HB ASP 14 -9.514 -4.900 15.920 118 2HB ASP 14 2HB ASP 14 -8.736 -3.328 15.780 119 H GLY 15 H GLY 15 -10.118 -0.884 16.033 120 1HA GLY 15 1HA GLY 15 -10.817 0.948 17.624 121 2HA GLY 15 2HA GLY 15 -9.962 0.012 18.841 122 H HIS 16 H HIS 16 -7.733 -0.749 17.270 123 HA HIS 16 HA HIS 16 -6.248 1.716 17.518 124 1HB HIS 16 1HB HIS 16 -4.260 0.389 17.332 125 2HB HIS 16 2HB HIS 16 -5.373 -0.463 18.389 126 HD1 HIS 16 HD1 HIS 16 -6.481 -2.663 17.414 127 HD2 HIS 16 HD2 HIS 16 -3.496 -0.972 15.052 128 HE1 HIS 16 HE1 HIS 16 -5.839 -4.432 15.755 129 HE2 HIS 16 HE2 HIS 16 -3.848 -3.486 14.552 130 H VAL 17 H VAL 17 -5.008 2.704 15.921 131 HA VAL 17 HA VAL 17 -6.087 2.437 13.245 132 HB VAL 17 HB VAL 17 -3.842 4.247 14.147 133 1HG1 VAL 17 1HG1 VAL 17 -4.511 5.599 12.218 134 2HG1 VAL 17 2HG1 VAL 17 -4.032 3.973 11.737 135 3HG1 VAL 17 3HG1 VAL 17 -5.740 4.403 11.809 136 1HG2 VAL 17 1HG2 VAL 17 -6.805 4.811 14.107 137 2HG2 VAL 17 2HG2 VAL 17 -5.794 4.657 15.543 138 3HG2 VAL 17 3HG2 VAL 17 -5.538 5.996 14.425 139 H MET 18 H MET 18 -5.344 0.913 11.977 140 HA MET 18 HA MET 18 -2.789 -0.336 12.448 141 1HB MET 18 1HB MET 18 -4.728 -1.695 11.876 142 2HB MET 18 2HB MET 18 -4.931 -0.820 10.368 143 1HG MET 18 1HG MET 18 -2.894 -1.726 9.503 144 2HG MET 18 2HG MET 18 -2.521 -2.486 11.049 145 1HE MET 18 1HE MET 18 -6.106 -3.734 8.419 146 2HE MET 18 2HE MET 18 -5.010 -2.415 8.002 147 3HE MET 18 3HE MET 18 -6.081 -2.266 9.396 148 H HIS 19 H HIS 19 -0.952 0.331 11.589 149 HA HIS 19 HA HIS 19 -1.055 2.016 9.172 150 1HB HIS 19 1HB HIS 19 1.086 1.869 11.312 151 2HB HIS 19 2HB HIS 19 1.131 2.911 9.895 152 HD1 HIS 19 HD1 HIS 19 0.595 3.227 13.311 153 HD2 HIS 19 HD2 HIS 19 -1.546 4.523 9.981 154 HE1 HIS 19 HE1 HIS 19 -0.847 5.118 14.120 155 HE2 HIS 19 HE2 HIS 19 -2.030 5.979 12.070 156 H PHE 20 H PHE 20 -0.190 1.225 7.362 157 HA PHE 20 HA PHE 20 2.011 -0.659 7.536 158 1HB PHE 20 1HB PHE 20 0.916 -2.231 5.932 159 2HB PHE 20 2HB PHE 20 0.163 -2.191 7.520 160 HD1 PHE 20 HD1 PHE 20 -0.281 -1.634 3.977 161 HD2 PHE 20 HD2 PHE 20 -2.009 -1.036 7.820 162 HE1 PHE 20 HE1 PHE 20 -2.469 -1.220 2.926 163 HE2 PHE 20 HE2 PHE 20 -4.196 -0.622 6.777 164 HZ PHE 20 HZ PHE 20 -4.429 -0.714 4.328 165 H ASP 21 H ASP 21 3.285 -0.758 5.709 166 HA ASP 21 HA ASP 21 3.121 1.586 4.016 167 1HB ASP 21 1HB ASP 21 5.189 -0.618 4.219 168 2HB ASP 21 2HB ASP 21 5.315 0.759 3.131 169 H VAL 22 H VAL 22 1.929 1.516 2.252 170 HA VAL 22 HA VAL 22 1.618 -0.994 0.799 171 HB VAL 22 HB VAL 22 0.443 1.717 0.142 172 1HG1 VAL 22 1HG1 VAL 22 -0.222 -1.048 -0.860 173 2HG1 VAL 22 2HG1 VAL 22 -1.135 0.415 -1.231 174 3HG1 VAL 22 3HG1 VAL 22 0.533 0.253 -1.781 175 1HG2 VAL 22 1HG2 VAL 22 -1.636 0.863 1.115 176 2HG2 VAL 22 2HG2 VAL 22 -0.790 -0.598 1.627 177 3HG2 VAL 22 3HG2 VAL 22 -0.345 0.965 2.312 178 H PHE 23 H PHE 23 3.514 -1.417 -0.197 179 HA PHE 23 HA PHE 23 4.915 0.664 -1.644 180 1HB PHE 23 1HB PHE 23 5.459 -2.295 -1.342 181 2HB PHE 23 2HB PHE 23 6.482 -1.197 -2.259 182 HD1 PHE 23 HD1 PHE 23 7.201 0.970 -0.881 183 HD2 PHE 23 HD2 PHE 23 6.076 -2.765 0.812 184 HE1 PHE 23 HE1 PHE 23 8.451 1.526 1.163 185 HE2 PHE 23 HE2 PHE 23 7.323 -2.216 2.861 186 HZ PHE 23 HZ PHE 23 8.509 -0.067 3.038 187 H THR 24 H THR 24 4.286 1.257 -3.573 188 HA THR 24 HA THR 24 3.091 -0.764 -5.351 189 HB THR 24 HB THR 24 1.916 1.230 -6.419 190 HG1 THR 24 HG1 THR 24 2.401 2.477 -3.915 191 1HG2 THR 24 1HG2 THR 24 0.741 -0.389 -4.998 192 2HG2 THR 24 2HG2 THR 24 1.209 0.526 -3.564 193 3HG2 THR 24 3HG2 THR 24 0.117 1.243 -4.753 194 H ASP 25 H ASP 25 3.614 -0.659 -7.551 195 HA ASP 25 HA ASP 25 6.106 0.711 -8.171 196 1HB ASP 25 1HB ASP 25 6.174 -1.472 -9.003 197 2HB ASP 25 2HB ASP 25 4.492 -1.432 -9.522 198 H VAL 26 H VAL 26 2.748 0.616 -9.253 199 HA VAL 26 HA VAL 26 3.011 2.497 -11.327 200 HB VAL 26 HB VAL 26 1.087 0.968 -11.117 201 1HG1 VAL 26 1HG1 VAL 26 0.726 1.051 -8.728 202 2HG1 VAL 26 2HG1 VAL 26 0.253 2.746 -8.830 203 3HG1 VAL 26 3HG1 VAL 26 -0.750 1.503 -9.579 204 1HG2 VAL 26 1HG2 VAL 26 0.333 3.886 -11.169 205 2HG2 VAL 26 2HG2 VAL 26 0.906 2.928 -12.537 206 3HG2 VAL 26 3HG2 VAL 26 -0.646 2.557 -11.788 207 H ARG 27 H ARG 27 2.840 4.686 -11.382 208 HA ARG 27 HA ARG 27 3.116 6.089 -8.851 209 1HB ARG 27 1HB ARG 27 3.547 8.074 -10.343 210 2HB ARG 27 2HB ARG 27 4.688 6.749 -10.503 211 1HG ARG 27 1HG ARG 27 3.605 6.022 -12.546 212 2HG ARG 27 2HG ARG 27 2.386 7.287 -12.368 213 1HD ARG 27 1HD ARG 27 4.030 9.002 -12.650 214 2HD ARG 27 2HD ARG 27 5.342 7.825 -12.593 215 HE ARG 27 HE ARG 27 4.168 6.918 -14.711 216 1HH1 ARG 27 1HH1 ARG 27 4.395 10.300 -13.802 217 2HH1 ARG 27 2HH1 ARG 27 4.429 10.869 -15.441 218 1HH2 ARG 27 1HH2 ARG 27 4.209 7.670 -16.869 219 2HH2 ARG 27 2HH2 ARG 27 4.314 9.381 -17.183 220 H ASP 28 H ASP 28 0.589 4.969 -9.339 221 HA ASP 28 HA ASP 28 -1.103 7.339 -9.779 222 1HB ASP 28 1HB ASP 28 -1.426 5.396 -11.352 223 2HB ASP 28 2HB ASP 28 -1.920 4.432 -9.965 224 H ASP 29 H ASP 29 -2.427 7.978 -8.126 225 HA ASP 29 HA ASP 29 -1.865 6.775 -5.556 226 1HB ASP 29 1HB ASP 29 -2.967 8.719 -4.602 227 2HB ASP 29 2HB ASP 29 -1.809 9.225 -5.827 228 H LYS 30 H LYS 30 -4.510 6.895 -7.817 229 HA LYS 30 HA LYS 30 -6.508 6.159 -5.877 230 1HB LYS 30 1HB LYS 30 -7.003 7.486 -7.949 231 2HB LYS 30 2HB LYS 30 -6.695 6.034 -8.891 232 1HG LYS 30 1HG LYS 30 -8.516 4.913 -7.575 233 2HG LYS 30 2HG LYS 30 -8.896 6.495 -6.894 234 1HD LYS 30 1HD LYS 30 -10.366 6.112 -8.741 235 2HD LYS 30 2HD LYS 30 -9.195 7.340 -9.226 236 1HE LYS 30 1HE LYS 30 -7.861 5.551 -10.316 237 2HE LYS 30 2HE LYS 30 -9.146 4.410 -9.926 238 1HZ LYS 30 1HZ LYS 30 -9.359 6.787 -11.690 239 2HZ LYS 30 2HZ LYS 30 -9.405 5.161 -12.166 240 3HZ LYS 30 3HZ LYS 30 -10.671 5.810 -11.239 241 H LYS 31 H LYS 31 -4.712 4.552 -8.465 242 HA LYS 31 HA LYS 31 -5.935 2.026 -8.249 243 1HB LYS 31 1HB LYS 31 -4.359 2.930 -10.072 244 2HB LYS 31 2HB LYS 31 -3.048 2.442 -9.007 245 1HG LYS 31 1HG LYS 31 -3.798 0.134 -9.102 246 2HG LYS 31 2HG LYS 31 -5.168 0.607 -10.112 247 1HD LYS 31 1HD LYS 31 -3.524 1.480 -11.785 248 2HD LYS 31 2HD LYS 31 -2.238 0.775 -10.806 249 1HE LYS 31 1HE LYS 31 -4.532 -0.759 -12.025 250 2HE LYS 31 2HE LYS 31 -2.912 -0.654 -12.707 251 1HZ LYS 31 1HZ LYS 31 -3.097 -2.684 -11.510 252 2HZ LYS 31 2HZ LYS 31 -2.079 -1.666 -10.616 253 3HZ LYS 31 3HZ LYS 31 -3.689 -1.903 -10.130 254 H ALA 32 H ALA 32 -3.358 3.562 -6.459 255 HA ALA 32 HA ALA 32 -2.448 1.291 -5.037 256 1HB ALA 32 1HB ALA 32 -2.376 4.184 -4.182 257 2HB ALA 32 2HB ALA 32 -1.391 2.873 -3.535 258 3HB ALA 32 3HB ALA 32 -1.175 3.396 -5.205 259 H ILE 33 H ILE 33 -5.044 3.590 -4.535 260 HA ILE 33 HA ILE 33 -5.769 2.839 -1.921 261 HB ILE 33 HB ILE 33 -7.401 4.028 -4.168 262 1HG1 ILE 33 1HG1 ILE 33 -6.216 5.230 -1.655 263 2HG1 ILE 33 2HG1 ILE 33 -5.586 5.432 -3.285 264 1HG2 ILE 33 1HG2 ILE 33 -8.891 2.822 -2.664 265 2HG2 ILE 33 2HG2 ILE 33 -8.201 3.674 -1.283 266 3HG2 ILE 33 3HG2 ILE 33 -9.108 4.565 -2.506 267 1HD1 ILE 33 1HD1 ILE 33 -7.606 6.618 -3.930 268 2HD1 ILE 33 2HD1 ILE 33 -8.268 6.386 -2.312 269 3HD1 ILE 33 3HD1 ILE 33 -6.833 7.385 -2.543 270 H GLU 34 H GLU 34 -6.898 1.718 -5.102 271 HA GLU 34 HA GLU 34 -8.745 -0.180 -4.267 272 1HB GLU 34 1HB GLU 34 -7.012 0.073 -6.683 273 2HB GLU 34 2HB GLU 34 -7.868 -1.438 -6.420 274 1HG GLU 34 1HG GLU 34 -9.201 -0.109 -7.847 275 2HG GLU 34 2HG GLU 34 -9.981 -0.121 -6.268 276 H PHE 35 H PHE 35 -5.239 -0.469 -4.611 277 HA PHE 35 HA PHE 35 -5.000 -3.210 -4.118 278 1HB PHE 35 1HB PHE 35 -3.083 -0.987 -3.393 279 2HB PHE 35 2HB PHE 35 -2.683 -2.700 -3.405 280 HD1 PHE 35 HD1 PHE 35 -1.530 -0.254 -5.000 281 HD2 PHE 35 HD2 PHE 35 -4.240 -3.398 -5.932 282 HE1 PHE 35 HE1 PHE 35 -0.912 -0.078 -7.372 283 HE2 PHE 35 HE2 PHE 35 -3.620 -3.232 -8.306 284 HZ PHE 35 HZ PHE 35 -1.956 -1.571 -9.026 285 H ALA 36 H ALA 36 -4.961 -0.475 -1.864 286 HA ALA 36 HA ALA 36 -4.565 -1.997 0.474 287 1HB ALA 36 1HB ALA 36 -5.875 0.701 0.154 288 2HB ALA 36 2HB ALA 36 -5.305 0.006 1.672 289 3HB ALA 36 3HB ALA 36 -4.154 0.402 0.397 290 H LYS 37 H LYS 37 -7.493 -0.885 -1.174 291 HA LYS 37 HA LYS 37 -9.305 -1.730 0.823 292 1HB LYS 37 1HB LYS 37 -9.754 -1.297 -2.136 293 2HB LYS 37 2HB LYS 37 -11.034 -1.529 -0.950 294 1HG LYS 37 1HG LYS 37 -10.213 0.492 0.240 295 2HG LYS 37 2HG LYS 37 -9.072 0.750 -1.078 296 1HD LYS 37 1HD LYS 37 -10.886 2.140 -1.590 297 2HD LYS 37 2HD LYS 37 -11.114 0.724 -2.617 298 1HE LYS 37 1HE LYS 37 -12.439 0.980 0.068 299 2HE LYS 37 2HE LYS 37 -13.160 1.650 -1.392 300 1HZ LYS 37 1HZ LYS 37 -12.463 -1.215 -0.990 301 2HZ LYS 37 2HZ LYS 37 -14.015 -0.554 -0.862 302 3HZ LYS 37 3HZ LYS 37 -13.217 -0.548 -2.356 303 H GLN 38 H GLN 38 -7.931 -3.370 -1.982 304 HA GLN 38 HA GLN 38 -9.555 -5.666 -1.901 305 1HB GLN 38 1HB GLN 38 -6.717 -5.283 -2.853 306 2HB GLN 38 2HB GLN 38 -7.595 -6.794 -3.037 307 1HG GLN 38 1HG GLN 38 -9.263 -5.681 -4.407 308 2HG GLN 38 2HG GLN 38 -8.433 -4.141 -4.190 309 1HE2 GLN 38 2HE2 GLN 38 -6.487 -3.782 -5.252 310 2HE2 GLN 38 1HE2 GLN 38 -5.963 -4.766 -6.574 311 H TRP 39 H TRP 39 -6.529 -4.874 -0.251 312 HA TRP 39 HA TRP 39 -6.203 -7.405 0.983 313 1HB TRP 39 1HB TRP 39 -4.341 -5.824 0.708 314 2HB TRP 39 2HB TRP 39 -5.123 -4.702 1.816 315 HD1 TRP 39 HD1 TRP 39 -3.783 -8.349 1.918 316 HE1 TRP 39 HE1 TRP 39 -2.766 -8.752 4.255 317 HE3 TRP 39 HE3 TRP 39 -4.866 -3.836 4.054 318 HZ2 TRP 39 HZ2 TRP 39 -2.464 -7.333 6.669 319 HZ3 TRP 39 HZ3 TRP 39 -4.176 -3.437 6.380 320 HH2 TRP 39 HH2 TRP 39 -3.000 -5.152 7.660 321 H LEU 40 H LEU 40 -7.755 -4.388 1.996 322 HA LEU 40 HA LEU 40 -8.398 -5.139 4.616 323 1HB LEU 40 1HB LEU 40 -9.905 -3.342 2.719 324 2HB LEU 40 2HB LEU 40 -10.264 -3.498 4.427 325 HG LEU 40 HG LEU 40 -7.727 -2.395 3.222 326 1HD1 LEU 40 1HD1 LEU 40 -9.633 -0.886 3.113 327 2HD1 LEU 40 2HD1 LEU 40 -9.921 -1.108 4.839 328 3HD1 LEU 40 3HD1 LEU 40 -8.444 -0.319 4.286 329 1HD2 LEU 40 1HD2 LEU 40 -7.044 -1.932 5.523 330 2HD2 LEU 40 2HD2 LEU 40 -8.472 -2.777 6.121 331 3HD2 LEU 40 3HD2 LEU 40 -7.226 -3.665 5.243 332 H SER 41 H SER 41 -10.113 -5.684 1.569 333 HA SER 41 HA SER 41 -12.383 -6.932 2.660 334 1HB SER 41 1HB SER 41 -11.100 -7.489 -0.023 335 2HB SER 41 2HB SER 41 -12.783 -7.767 0.423 336 HG SER 41 HG SER 41 -13.155 -5.607 0.457 337 H SER 42 H SER 42 -9.177 -8.129 1.868 338 HA SER 42 HA SER 42 -9.768 -10.888 2.030 339 1HB SER 42 1HB SER 42 -7.130 -9.499 2.543 340 2HB SER 42 2HB SER 42 -7.354 -11.204 2.161 341 HG SER 42 HG SER 42 -8.578 -9.775 0.281 342 H ILE 43 H ILE 43 -8.492 -8.581 4.419 343 HA ILE 43 HA ILE 43 -8.274 -10.618 6.442 344 HB ILE 43 HB ILE 43 -7.578 -8.815 7.946 345 1HG1 ILE 43 1HG1 ILE 43 -8.126 -6.976 5.601 346 2HG1 ILE 43 2HG1 ILE 43 -9.073 -7.046 7.084 347 1HG2 ILE 43 1HG2 ILE 43 -5.935 -9.864 6.487 348 2HG2 ILE 43 2HG2 ILE 43 -6.277 -8.675 5.229 349 3HG2 ILE 43 3HG2 ILE 43 -5.546 -8.163 6.752 350 1HD1 ILE 43 1HD1 ILE 43 -7.558 -5.156 7.100 351 2HD1 ILE 43 2HD1 ILE 43 -7.123 -6.313 8.358 352 3HD1 ILE 43 3HD1 ILE 43 -6.183 -6.236 6.867 353 H GLY 44 H GLY 44 -10.678 -8.324 5.469 354 1HA GLY 44 1HA GLY 44 -12.957 -8.615 6.116 355 2HA GLY 44 2HA GLY 44 -12.403 -9.311 7.634 356 H GLU 45 H GLU 45 -11.306 -6.327 6.107 357 HA GLU 45 HA GLU 45 -12.493 -4.811 8.334 358 1HB GLU 45 1HB GLU 45 -10.047 -5.230 8.668 359 2HB GLU 45 2HB GLU 45 -9.733 -4.369 7.171 360 1HG GLU 45 1HG GLU 45 -9.331 -3.004 9.167 361 2HG GLU 45 2HG GLU 45 -10.566 -2.321 8.113 362 H GLU 46 H GLU 46 -13.374 -5.285 5.566 363 HA GLU 46 HA GLU 46 -12.923 -2.831 4.148 364 1HB GLU 46 1HB GLU 46 -13.490 -4.934 2.960 365 2HB GLU 46 2HB GLU 46 -15.085 -4.898 3.702 366 1HG GLU 46 1HG GLU 46 -15.522 -2.743 2.597 367 2HG GLU 46 2HG GLU 46 -13.950 -2.853 1.808 368 H GLY 47 H GLY 47 -13.412 -1.355 5.776 369 1HA GLY 47 1HA GLY 47 -16.223 -0.585 5.728 370 2HA GLY 47 2HA GLY 47 -15.478 -0.794 7.309 371 H ALA 48 H ALA 48 -13.009 0.146 6.959 372 HA ALA 48 HA ALA 48 -13.208 2.923 7.018 373 1HB ALA 48 1HB ALA 48 -11.373 1.683 8.054 374 2HB ALA 48 2HB ALA 48 -10.769 1.238 6.458 375 3HB ALA 48 3HB ALA 48 -10.767 2.928 6.961 376 H THR 49 H THR 49 -13.560 4.309 5.448 377 HA THR 49 HA THR 49 -13.405 3.549 2.688 378 HB THR 49 HB THR 49 -13.820 6.323 3.823 379 HG1 THR 49 HG1 THR 49 -15.348 4.177 4.128 380 1HG2 THR 49 1HG2 THR 49 -15.013 6.718 1.715 381 2HG2 THR 49 2HG2 THR 49 -13.336 6.258 1.422 382 3HG2 THR 49 3HG2 THR 49 -14.627 5.080 1.189 383 H VAL 50 H VAL 50 -11.282 3.098 2.193 384 HA VAL 50 HA VAL 50 -9.118 4.815 2.853 385 HB VAL 50 HB VAL 50 -9.249 2.742 0.655 386 1HG1 VAL 50 1HG1 VAL 50 -6.886 3.982 2.064 387 2HG1 VAL 50 2HG1 VAL 50 -6.810 2.683 0.873 388 3HG1 VAL 50 3HG1 VAL 50 -7.381 4.281 0.397 389 1HG2 VAL 50 1HG2 VAL 50 -9.806 1.753 2.803 390 2HG2 VAL 50 2HG2 VAL 50 -8.205 1.230 2.279 391 3HG2 VAL 50 3HG2 VAL 50 -8.363 2.466 3.525 392 H THR 51 H THR 51 -8.677 6.696 2.002 393 HA THR 51 HA THR 51 -9.104 7.166 -0.836 394 HB THR 51 HB THR 51 -11.148 8.002 0.261 395 HG1 THR 51 HG1 THR 51 -10.483 9.126 -1.565 396 1HG2 THR 51 1HG2 THR 51 -9.281 9.795 1.793 397 2HG2 THR 51 2HG2 THR 51 -11.037 9.945 1.766 398 3HG2 THR 51 3HG2 THR 51 -10.286 8.511 2.462 399 H SER 52 H SER 52 -8.448 9.777 -0.937 400 HA SER 52 HA SER 52 -5.713 9.880 -0.952 401 1HB SER 52 1HB SER 52 -7.823 12.014 -0.759 402 2HB SER 52 2HB SER 52 -6.117 12.392 -1.043 403 HG SER 52 HG SER 52 -6.202 11.324 -2.974 404 H GLU 53 H GLU 53 -7.889 10.925 1.649 405 HA GLU 53 HA GLU 53 -5.806 12.100 3.213 406 1HB GLU 53 1HB GLU 53 -8.180 12.799 3.374 407 2HB GLU 53 2HB GLU 53 -8.573 11.237 4.079 408 1HG GLU 53 1HG GLU 53 -7.098 11.728 5.972 409 2HG GLU 53 2HG GLU 53 -6.734 13.303 5.270 410 H GLU 54 H GLU 54 -7.110 8.915 2.894 411 HA GLU 54 HA GLU 54 -6.098 8.006 5.451 412 1HB GLU 54 1HB GLU 54 -7.353 6.454 3.183 413 2HB GLU 54 2HB GLU 54 -6.978 5.813 4.776 414 1HG GLU 54 1HG GLU 54 -8.943 8.007 4.165 415 2HG GLU 54 2HG GLU 54 -9.331 6.338 4.586 416 H CYS 55 H CYS 55 -5.421 7.403 2.021 417 HA CYS 55 HA CYS 55 -2.997 5.958 2.769 418 1HB CYS 55 1HB CYS 55 -4.673 5.179 0.965 419 2HB CYS 55 2HB CYS 55 -3.970 6.439 -0.043 420 HG CYS 55 HG CYS 55 -2.336 3.726 1.253 421 H ARG 56 H ARG 56 -1.599 7.510 3.451 422 HA ARG 56 HA ARG 56 -1.304 9.968 1.919 423 1HB ARG 56 1HB ARG 56 -1.140 9.329 4.630 424 2HB ARG 56 2HB ARG 56 0.521 9.653 4.153 425 1HG ARG 56 1HG ARG 56 -0.567 11.659 4.988 426 2HG ARG 56 2HG ARG 56 -0.142 11.828 3.282 427 1HD ARG 56 1HD ARG 56 -2.439 11.297 2.651 428 2HD ARG 56 2HD ARG 56 -2.869 11.105 4.351 429 HE ARG 56 HE ARG 56 -2.324 13.511 4.597 430 1HH1 ARG 56 1HH1 ARG 56 -3.084 12.230 1.429 431 2HH1 ARG 56 2HH1 ARG 56 -3.656 13.747 0.808 432 1HH2 ARG 56 1HH2 ARG 56 -3.121 15.510 3.797 433 2HH2 ARG 56 2HH2 ARG 56 -3.725 15.596 2.168 434 H PHE 57 H PHE 57 0.231 10.252 0.450 435 HA PHE 57 HA PHE 57 2.216 8.265 -0.047 436 1HB PHE 57 1HB PHE 57 1.315 9.555 -1.894 437 2HB PHE 57 2HB PHE 57 1.871 11.057 -1.162 438 HD1 PHE 57 HD1 PHE 57 3.092 7.834 -2.540 439 HD2 PHE 57 HD2 PHE 57 3.964 11.907 -1.676 440 HE1 PHE 57 HE1 PHE 57 5.230 7.625 -3.741 441 HE2 PHE 57 HE2 PHE 57 6.104 11.708 -2.872 442 HZ PHE 57 HZ PHE 57 6.738 9.565 -3.905 443 H CYS 58 H CYS 58 4.169 8.066 0.822 444 HA CYS 58 HA CYS 58 5.172 10.260 2.487 445 1HB CYS 58 1HB CYS 58 5.998 7.353 2.372 446 2HB CYS 58 2HB CYS 58 6.692 8.560 3.449 447 HG CYS 58 HG CYS 58 4.725 6.655 4.575 448 H HIS 59 H HIS 59 6.790 7.744 0.526 449 HA HIS 59 HA HIS 59 8.483 9.818 -0.663 450 1HB HIS 59 1HB HIS 59 9.423 7.596 1.112 451 2HB HIS 59 2HB HIS 59 10.454 8.163 -0.185 452 HD1 HIS 59 HD1 HIS 59 8.552 10.881 1.401 453 HD2 HIS 59 HD2 HIS 59 12.175 8.926 1.979 454 HE1 HIS 59 HE1 HIS 59 9.896 12.380 2.909 455 HE2 HIS 59 HE2 HIS 59 12.154 11.271 3.075 456 H SER 60 H SER 60 10.085 8.794 -2.162 457 HA SER 60 HA SER 60 9.108 6.315 -3.417 458 1HB SER 60 1HB SER 60 10.469 8.654 -4.803 459 2HB SER 60 2HB SER 60 9.936 7.161 -5.576 460 HG SER 60 HG SER 60 8.531 9.397 -5.049 461 H GLU 61 H GLU 61 10.548 4.764 -2.888 462 HA GLU 61 HA GLU 61 13.252 5.676 -2.145 463 1HB GLU 61 1HB GLU 61 11.753 5.156 -0.230 464 2HB GLU 61 2HB GLU 61 11.577 3.520 -0.836 465 1HG GLU 61 1HG GLU 61 13.144 3.625 1.013 466 2HG GLU 61 2HG GLU 61 13.941 3.109 -0.471 467 H LYS 62 H LYS 62 14.917 4.001 -2.168 468 HA LYS 62 HA LYS 62 15.044 2.487 -4.525 469 1HB LYS 62 1HB LYS 62 16.982 1.342 -3.360 470 2HB LYS 62 2HB LYS 62 17.082 3.096 -3.451 471 1HG LYS 62 1HG LYS 62 16.156 3.183 -1.136 472 2HG LYS 62 2HG LYS 62 16.323 1.431 -1.069 473 1HD LYS 62 1HD LYS 62 18.677 1.554 -1.262 474 2HD LYS 62 2HD LYS 62 18.622 3.261 -1.707 475 1HE LYS 62 1HE LYS 62 17.745 2.161 0.960 476 2HE LYS 62 2HE LYS 62 19.333 2.857 0.642 477 1HZ LYS 62 1HZ LYS 62 16.804 4.347 0.188 478 2HZ LYS 62 2HZ LYS 62 17.658 4.399 1.655 479 3HZ LYS 62 3HZ LYS 62 18.382 4.962 0.229 480 H ALA 63 H ALA 63 14.462 0.456 -5.018 481 HA ALA 63 HA ALA 63 12.582 -0.781 -3.189 482 1HB ALA 63 1HB ALA 63 13.222 -1.428 -6.060 483 2HB ALA 63 2HB ALA 63 11.904 -2.119 -5.112 484 3HB ALA 63 3HB ALA 63 11.906 -0.398 -5.495 485 HA PRO 64 HA PRO 64 15.588 -3.877 -1.891 486 1HB PRO 64 1HB PRO 64 13.119 -5.021 -0.711 487 2HB PRO 64 2HB PRO 64 14.661 -4.635 0.061 488 1HG PRO 64 1HG PRO 64 12.507 -3.123 0.485 489 2HG PRO 64 2HG PRO 64 14.119 -2.398 0.329 490 1HD PRO 64 1HD PRO 64 11.904 -2.538 -1.682 491 2HD PRO 64 2HD PRO 64 13.004 -1.193 -1.307 492 H ASP 65 H ASP 65 16.011 -5.964 -2.539 493 HA ASP 65 HA ASP 65 15.107 -6.725 -5.046 494 1HB ASP 65 1HB ASP 65 17.231 -7.445 -3.935 495 2HB ASP 65 2HB ASP 65 16.289 -8.577 -2.971 496 H GLU 66 H GLU 66 13.981 -7.800 -1.891 497 HA GLU 66 HA GLU 66 12.451 -9.986 -2.743 498 1HB GLU 66 1HB GLU 66 13.071 -9.656 -0.409 499 2HB GLU 66 2HB GLU 66 12.080 -8.206 -0.330 500 1HG GLU 66 1HG GLU 66 10.913 -10.005 0.724 501 2HG GLU 66 2HG GLU 66 10.084 -9.593 -0.776 502 H VAL 67 H VAL 67 11.495 -6.590 -2.206 503 HA VAL 67 HA VAL 67 8.731 -7.146 -2.600 504 HB VAL 67 HB VAL 67 8.327 -4.789 -2.457 505 1HG1 VAL 67 1HG1 VAL 67 9.430 -4.253 -0.332 506 2HG1 VAL 67 2HG1 VAL 67 8.826 -5.911 -0.366 507 3HG1 VAL 67 3HG1 VAL 67 10.547 -5.593 -0.584 508 1HG2 VAL 67 1HG2 VAL 67 10.068 -3.971 -3.939 509 2HG2 VAL 67 2HG2 VAL 67 10.135 -3.134 -2.388 510 3HG2 VAL 67 3HG2 VAL 67 11.303 -4.405 -2.755 511 H ILE 68 H ILE 68 11.320 -6.611 -4.764 512 HA ILE 68 HA ILE 68 10.138 -5.348 -6.935 513 HB ILE 68 HB ILE 68 12.058 -7.680 -7.098 514 1HG1 ILE 68 1HG1 ILE 68 12.922 -5.890 -5.634 515 2HG1 ILE 68 2HG1 ILE 68 13.856 -6.031 -7.119 516 1HG2 ILE 68 1HG2 ILE 68 12.729 -6.648 -9.236 517 2HG2 ILE 68 2HG2 ILE 68 11.046 -7.179 -9.229 518 3HG2 ILE 68 3HG2 ILE 68 11.432 -5.468 -9.045 519 1HD1 ILE 68 1HD1 ILE 68 11.782 -3.948 -6.495 520 2HD1 ILE 68 2HD1 ILE 68 13.528 -3.718 -6.559 521 3HD1 ILE 68 3HD1 ILE 68 12.635 -4.101 -8.030 522 H GLU 69 H GLU 69 10.407 -8.852 -6.421 523 HA GLU 69 HA GLU 69 8.691 -9.485 -8.597 524 1HB GLU 69 1HB GLU 69 9.570 -11.241 -6.299 525 2HB GLU 69 2HB GLU 69 8.932 -11.784 -7.848 526 1HG GLU 69 1HG GLU 69 10.860 -10.844 -8.990 527 2HG GLU 69 2HG GLU 69 11.494 -10.256 -7.455 528 H ALA 70 H ALA 70 8.258 -9.134 -5.132 529 HA ALA 70 HA ALA 70 5.741 -10.340 -4.877 530 1HB ALA 70 1HB ALA 70 7.143 -9.778 -2.963 531 2HB ALA 70 2HB ALA 70 6.900 -8.060 -3.281 532 3HB ALA 70 3HB ALA 70 5.536 -9.069 -2.802 533 H ILE 71 H ILE 71 6.629 -6.953 -5.534 534 HA ILE 71 HA ILE 71 3.959 -6.006 -5.631 535 HB ILE 71 HB ILE 71 6.477 -4.835 -6.823 536 1HG1 ILE 71 1HG1 ILE 71 4.924 -4.169 -4.312 537 2HG1 ILE 71 2HG1 ILE 71 6.467 -5.012 -4.371 538 1HG2 ILE 71 1HG2 ILE 71 4.528 -3.998 -8.019 539 2HG2 ILE 71 2HG2 ILE 71 3.754 -3.575 -6.492 540 3HG2 ILE 71 3HG2 ILE 71 5.218 -2.735 -7.001 541 1HD1 ILE 71 1HD1 ILE 71 5.977 -2.174 -5.239 542 2HD1 ILE 71 2HD1 ILE 71 6.749 -2.689 -3.740 543 3HD1 ILE 71 3HD1 ILE 71 7.525 -3.018 -5.288 544 H LYS 72 H LYS 72 6.153 -7.291 -8.086 545 HA LYS 72 HA LYS 72 4.607 -6.636 -10.335 546 1HB LYS 72 1HB LYS 72 6.597 -8.827 -9.820 547 2HB LYS 72 2HB LYS 72 5.781 -8.664 -11.370 548 1HG LYS 72 1HG LYS 72 6.638 -6.333 -11.484 549 2HG LYS 72 2HG LYS 72 7.593 -6.671 -10.042 550 1HD LYS 72 1HD LYS 72 8.849 -8.351 -11.166 551 2HD LYS 72 2HD LYS 72 7.763 -8.319 -12.556 552 1HE LYS 72 1HE LYS 72 9.553 -6.064 -11.663 553 2HE LYS 72 2HE LYS 72 9.859 -7.146 -13.021 554 1HZ LYS 72 1HZ LYS 72 7.748 -6.333 -14.005 555 2HZ LYS 72 2HZ LYS 72 7.640 -5.189 -12.762 556 3HZ LYS 72 3HZ LYS 72 8.933 -5.130 -13.857 557 H GLN 73 H GLN 73 4.362 -9.279 -8.071 558 HA GLN 73 HA GLN 73 2.650 -10.875 -9.710 559 1HB GLN 73 1HB GLN 73 3.181 -11.021 -6.740 560 2HB GLN 73 2HB GLN 73 2.316 -12.234 -7.673 561 1HG GLN 73 1HG GLN 73 5.202 -11.448 -8.011 562 2HG GLN 73 2HG GLN 73 4.599 -12.924 -7.260 563 1HE2 GLN 73 2HE2 GLN 73 5.155 -11.243 -10.236 564 2HE2 GLN 73 1HE2 GLN 73 4.875 -12.587 -11.292 565 H ASN 74 H ASN 74 2.069 -8.535 -7.109 566 HA ASN 74 HA ASN 74 -0.813 -9.111 -7.358 567 1HB ASN 74 1HB ASN 74 0.685 -7.862 -5.047 568 2HB ASN 74 2HB ASN 74 -1.051 -8.146 -5.098 569 1HD2 ASN 74 2HD2 ASN 74 2.068 -9.546 -4.660 570 2HD2 ASN 74 1HD2 ASN 74 1.522 -11.121 -4.179 571 H GLY 75 H GLY 75 1.569 -6.673 -7.756 572 1HA GLY 75 1HA GLY 75 1.127 -4.626 -8.902 573 2HA GLY 75 2HA GLY 75 -0.528 -4.687 -8.305 574 H TYR 76 H TYR 76 1.080 -5.621 -5.732 575 HA TYR 76 HA TYR 76 2.095 -3.123 -4.744 576 1HB TYR 76 1HB TYR 76 0.421 -2.866 -2.962 577 2HB TYR 76 2HB TYR 76 -0.322 -2.725 -4.552 578 HD1 TYR 76 HD1 TYR 76 -0.191 -4.630 -1.461 579 HD2 TYR 76 HD2 TYR 76 -1.738 -4.577 -5.425 580 HE1 TYR 76 HE1 TYR 76 -1.810 -6.377 -0.849 581 HE2 TYR 76 HE2 TYR 76 -3.360 -6.322 -4.820 582 HH TYR 76 HH TYR 76 -3.696 -8.038 -3.217 583 H PHE 77 H PHE 77 2.704 -3.326 -2.423 584 HA PHE 77 HA PHE 77 2.893 -6.088 -1.452 585 1HB PHE 77 1HB PHE 77 5.077 -5.539 -2.436 586 2HB PHE 77 2HB PHE 77 5.164 -4.081 -1.452 587 HD1 PHE 77 HD1 PHE 77 6.054 -4.145 0.703 588 HD2 PHE 77 HD2 PHE 77 5.032 -7.781 -1.256 589 HE1 PHE 77 HE1 PHE 77 7.154 -5.416 2.497 590 HE2 PHE 77 HE2 PHE 77 6.132 -9.059 0.535 591 HZ PHE 77 HZ PHE 77 7.196 -7.876 2.415 592 H ILE 78 H ILE 78 2.100 -6.240 0.544 593 HA ILE 78 HA ILE 78 1.617 -3.778 2.044 594 HB ILE 78 HB ILE 78 0.538 -6.570 2.474 595 1HG1 ILE 78 1HG1 ILE 78 -0.368 -5.485 0.472 596 2HG1 ILE 78 2HG1 ILE 78 -1.600 -5.617 1.723 597 1HG2 ILE 78 1HG2 ILE 78 0.730 -5.370 4.584 598 2HG2 ILE 78 2HG2 ILE 78 -0.154 -4.005 3.903 599 3HG2 ILE 78 3HG2 ILE 78 -0.962 -5.559 4.121 600 1HD1 ILE 78 1HD1 ILE 78 -1.715 -3.472 0.608 601 2HD1 ILE 78 2HD1 ILE 78 -1.254 -3.266 2.298 602 3HD1 ILE 78 3HD1 ILE 78 -0.035 -3.140 1.029 603 H TYR 79 H TYR 79 3.299 -3.230 3.263 604 HA TYR 79 HA TYR 79 4.599 -5.307 4.897 605 1HB TYR 79 1HB TYR 79 6.148 -3.998 3.545 606 2HB TYR 79 2HB TYR 79 5.486 -2.499 4.183 607 HD1 TYR 79 HD1 TYR 79 7.373 -5.552 5.131 608 HD2 TYR 79 HD2 TYR 79 6.339 -1.556 6.158 609 HE1 TYR 79 HE1 TYR 79 9.060 -5.579 6.919 610 HE2 TYR 79 HE2 TYR 79 8.020 -1.575 7.951 611 HH TYR 79 HH TYR 79 9.249 -3.090 9.310 612 H LYS 80 H LYS 80 3.909 -5.463 6.940 613 HA LYS 80 HA LYS 80 2.190 -3.441 8.024 614 1HB LYS 80 1HB LYS 80 3.210 -6.063 9.086 615 2HB LYS 80 2HB LYS 80 2.312 -4.948 10.109 616 1HG LYS 80 1HG LYS 80 0.447 -5.026 8.489 617 2HG LYS 80 2HG LYS 80 1.341 -6.236 7.567 618 1HD LYS 80 1HD LYS 80 1.253 -7.786 9.388 619 2HD LYS 80 2HD LYS 80 0.590 -6.558 10.468 620 1HE LYS 80 1HE LYS 80 -1.428 -6.440 9.085 621 2HE LYS 80 2HE LYS 80 -0.765 -7.678 8.019 622 1HZ LYS 80 1HZ LYS 80 -1.210 -8.122 10.918 623 2HZ LYS 80 2HZ LYS 80 -2.376 -8.475 9.740 624 3HZ LYS 80 3HZ LYS 80 -0.887 -9.281 9.723 625 H MET 81 H MET 81 3.397 -1.614 8.213 626 HA MET 81 HA MET 81 5.833 -1.343 9.591 627 1HB MET 81 1HB MET 81 4.959 0.414 8.144 628 2HB MET 81 2HB MET 81 3.566 0.621 9.195 629 1HG MET 81 1HG MET 81 5.336 1.159 11.011 630 2HG MET 81 2HG MET 81 6.405 1.430 9.637 631 1HE MET 81 1HE MET 81 4.214 2.505 7.503 632 2HE MET 81 2HE MET 81 5.829 3.190 7.674 633 3HE MET 81 3HE MET 81 4.416 4.245 7.704 634 H GLU 82 H GLU 82 2.486 -0.862 10.627 635 HA GLU 82 HA GLU 82 3.161 -1.579 13.351 636 1HB GLU 82 1HB GLU 82 3.621 0.838 13.252 637 2HB GLU 82 2HB GLU 82 1.994 1.121 12.655 638 1HG GLU 82 1HG GLU 82 1.073 0.298 14.756 639 2HG GLU 82 2HG GLU 82 2.707 0.006 15.356 640 H GLY 83 H GLY 83 1.824 -3.333 12.595 641 1HA GLY 83 1HA GLY 83 -0.938 -2.904 13.327 642 2HA GLY 83 2HA GLY 83 -0.703 -3.371 11.647 643 H CYS 84 H CYS 84 1.237 -4.403 14.367 644 HA CYS 84 HA CYS 84 0.329 -7.166 13.916 645 1HB CYS 84 1HB CYS 84 2.758 -6.622 13.478 646 2HB CYS 84 2HB CYS 84 2.921 -6.254 15.189 647 HG CYS 84 HG CYS 84 1.629 -9.283 14.646 648 H ASN 85 H ASN 85 -0.113 -4.618 15.874 649 HA ASN 85 HA ASN 85 -0.528 -6.275 18.265 650 1HB ASN 85 1HB ASN 85 0.286 -3.367 18.072 651 2HB ASN 85 2HB ASN 85 -0.290 -4.113 19.560 652 1HD2 ASN 85 2HD2 ASN 85 0.987 -6.671 18.971 653 2HD2 ASN 85 1HD2 ASN 85 2.681 -6.436 19.247 Start of MODEL 6 1 H MET 1 H MET 1 13.758 0.256 -10.988 2 HA MET 1 HA MET 1 10.896 0.983 -11.211 3 1HB MET 1 1HB MET 1 11.419 -1.441 -11.561 4 2HB MET 1 2HB MET 1 12.170 -1.469 -9.972 5 1HG MET 1 1HG MET 1 10.076 -0.986 -8.911 6 2HG MET 1 2HG MET 1 9.291 -0.756 -10.473 7 1HE MET 1 1HE MET 1 7.643 -4.064 -9.188 8 2HE MET 1 2HE MET 1 7.361 -2.430 -9.790 9 3HE MET 1 3HE MET 1 8.115 -2.672 -8.214 10 H GLN 2 H GLN 2 10.095 2.048 -9.513 11 HA GLN 2 HA GLN 2 11.847 2.397 -7.163 12 1HB GLN 2 1HB GLN 2 12.121 4.328 -8.607 13 2HB GLN 2 2HB GLN 2 10.380 4.526 -8.731 14 1HG GLN 2 1HG GLN 2 10.279 5.046 -6.340 15 2HG GLN 2 2HG GLN 2 12.031 4.874 -6.239 16 1HE2 GLN 2 2HE2 GLN 2 12.510 6.092 -8.829 17 2HE2 GLN 2 1HE2 GLN 2 12.225 7.789 -8.630 18 H ILE 3 H ILE 3 10.820 1.980 -5.304 19 HA ILE 3 HA ILE 3 7.993 1.452 -5.368 20 HB ILE 3 HB ILE 3 8.251 0.953 -2.924 21 1HG1 ILE 3 1HG1 ILE 3 11.202 1.264 -3.511 22 2HG1 ILE 3 2HG1 ILE 3 10.249 2.392 -2.552 23 1HG2 ILE 3 1HG2 ILE 3 10.004 -0.517 -4.872 24 2HG2 ILE 3 2HG2 ILE 3 9.475 -1.144 -3.311 25 3HG2 ILE 3 3HG2 ILE 3 8.289 -0.795 -4.568 26 1HD1 ILE 3 1HD1 ILE 3 9.786 0.611 -0.938 27 2HD1 ILE 3 2HD1 ILE 3 10.768 -0.499 -1.895 28 3HD1 ILE 3 3HD1 ILE 3 11.515 0.902 -1.127 29 H HIS 4 H HIS 4 6.490 2.868 -5.072 30 HA HIS 4 HA HIS 4 7.024 5.349 -3.654 31 1HB HIS 4 1HB HIS 4 4.636 4.310 -5.181 32 2HB HIS 4 2HB HIS 4 4.573 5.790 -4.231 33 HD1 HIS 4 HD1 HIS 4 4.283 7.383 -6.171 34 HD2 HIS 4 HD2 HIS 4 7.622 4.940 -6.553 35 HE1 HIS 4 HE1 HIS 4 5.598 8.330 -8.093 36 HE2 HIS 4 HE2 HIS 4 7.497 6.706 -8.438 37 H VAL 5 H VAL 5 6.480 5.685 -1.613 38 HA VAL 5 HA VAL 5 5.336 3.435 -0.149 39 HB VAL 5 HB VAL 5 6.656 5.945 0.896 40 1HG1 VAL 5 1HG1 VAL 5 5.138 4.936 2.509 41 2HG1 VAL 5 2HG1 VAL 5 5.930 3.376 2.296 42 3HG1 VAL 5 3HG1 VAL 5 6.816 4.723 3.009 43 1HG2 VAL 5 1HG2 VAL 5 8.215 4.602 -0.406 44 2HG2 VAL 5 2HG2 VAL 5 8.608 4.525 1.312 45 3HG2 VAL 5 3HG2 VAL 5 7.786 3.172 0.534 46 H TYR 6 H TYR 6 3.176 3.518 -0.204 47 HA TYR 6 HA TYR 6 1.849 6.076 0.283 48 1HB TYR 6 1HB TYR 6 0.735 3.407 -0.602 49 2HB TYR 6 2HB TYR 6 -0.233 4.854 -0.330 50 HD1 TYR 6 HD1 TYR 6 -0.032 6.786 -1.842 51 HD2 TYR 6 HD2 TYR 6 2.110 3.182 -2.565 52 HE1 TYR 6 HE1 TYR 6 0.429 7.526 -4.142 53 HE2 TYR 6 HE2 TYR 6 2.572 3.911 -4.864 54 HH TYR 6 HH TYR 6 1.745 5.422 -6.525 55 H ASP 7 H ASP 7 1.839 6.524 2.340 56 HA ASP 7 HA ASP 7 1.712 4.620 4.453 57 1HB ASP 7 1HB ASP 7 2.753 6.938 4.543 58 2HB ASP 7 2HB ASP 7 1.118 7.585 4.593 59 H THR 8 H THR 8 -0.088 3.518 4.968 60 HA THR 8 HA THR 8 -2.662 4.749 4.249 61 HB THR 8 HB THR 8 -2.110 1.792 4.492 62 HG1 THR 8 HG1 THR 8 -0.895 2.950 2.781 63 1HG2 THR 8 1HG2 THR 8 -4.174 1.595 3.174 64 2HG2 THR 8 2HG2 THR 8 -4.464 2.443 4.693 65 3HG2 THR 8 3HG2 THR 8 -4.349 3.350 3.185 66 H TYR 9 H TYR 9 -3.756 5.443 5.923 67 HA TYR 9 HA TYR 9 -3.588 4.076 8.508 68 1HB TYR 9 1HB TYR 9 -5.037 6.622 7.737 69 2HB TYR 9 2HB TYR 9 -4.877 5.986 9.368 70 HD1 TYR 9 HD1 TYR 9 -3.496 8.158 6.936 71 HD2 TYR 9 HD2 TYR 9 -2.457 5.723 10.263 72 HE1 TYR 9 HE1 TYR 9 -1.419 9.444 7.220 73 HE2 TYR 9 HE2 TYR 9 -0.384 7.002 10.564 74 HH TYR 9 HH TYR 9 1.143 8.416 8.902 75 H VAL 10 H VAL 10 -4.920 2.355 8.660 76 HA VAL 10 HA VAL 10 -7.601 2.600 7.460 77 HB VAL 10 HB VAL 10 -6.103 0.107 8.273 78 1HG1 VAL 10 1HG1 VAL 10 -8.776 0.421 6.909 79 2HG1 VAL 10 2HG1 VAL 10 -7.934 -1.105 7.183 80 3HG1 VAL 10 3HG1 VAL 10 -8.510 -0.157 8.554 81 1HG2 VAL 10 1HG2 VAL 10 -5.146 1.139 6.304 82 2HG2 VAL 10 2HG2 VAL 10 -6.024 -0.322 5.845 83 3HG2 VAL 10 3HG2 VAL 10 -6.742 1.265 5.563 84 H LYS 11 H LYS 11 -9.072 3.204 8.842 85 HA LYS 11 HA LYS 11 -8.605 2.933 11.689 86 1HB LYS 11 1HB LYS 11 -11.021 4.220 10.460 87 2HB LYS 11 2HB LYS 11 -10.206 4.615 11.969 88 1HG LYS 11 1HG LYS 11 -8.934 5.024 9.283 89 2HG LYS 11 2HG LYS 11 -9.924 6.255 10.068 90 1HD LYS 11 1HD LYS 11 -8.394 6.322 11.945 91 2HD LYS 11 2HD LYS 11 -7.449 5.001 11.253 92 1HE LYS 11 1HE LYS 11 -6.417 7.209 10.861 93 2HE LYS 11 2HE LYS 11 -6.832 6.376 9.364 94 1HZ LYS 11 1HZ LYS 11 -7.450 8.679 9.216 95 2HZ LYS 11 2HZ LYS 11 -8.858 7.740 9.247 96 3HZ LYS 11 3HZ LYS 11 -8.369 8.579 10.637 97 H ALA 12 H ALA 12 -8.924 0.578 11.704 98 HA ALA 12 HA ALA 12 -11.643 -0.355 11.355 99 1HB ALA 12 1HB ALA 12 -9.178 -1.728 12.423 100 2HB ALA 12 2HB ALA 12 -10.746 -2.509 12.208 101 3HB ALA 12 3HB ALA 12 -9.866 -1.892 10.810 102 H LYS 13 H LYS 13 -13.108 0.205 12.802 103 HA LYS 13 HA LYS 13 -12.517 1.403 15.258 104 1HB LYS 13 1HB LYS 13 -14.598 1.751 13.969 105 2HB LYS 13 2HB LYS 13 -15.115 0.129 14.403 106 1HG LYS 13 1HG LYS 13 -15.102 0.768 16.769 107 2HG LYS 13 2HG LYS 13 -14.625 2.405 16.308 108 1HD LYS 13 1HD LYS 13 -16.681 2.624 14.995 109 2HD LYS 13 2HD LYS 13 -17.158 0.995 15.479 110 1HE LYS 13 1HE LYS 13 -17.168 1.713 17.825 111 2HE LYS 13 2HE LYS 13 -16.729 3.345 17.319 112 1HZ LYS 13 1HZ LYS 13 -19.213 1.903 16.566 113 2HZ LYS 13 2HZ LYS 13 -19.098 3.160 17.698 114 3HZ LYS 13 3HZ LYS 13 -18.790 3.464 16.057 115 H ASP 14 H ASP 14 -14.038 -1.783 14.704 116 HA ASP 14 HA ASP 14 -13.765 -2.445 17.493 117 1HB ASP 14 1HB ASP 14 -14.957 -4.429 17.006 118 2HB ASP 14 2HB ASP 14 -15.665 -3.197 15.969 119 H GLY 15 H GLY 15 -12.099 -3.145 14.512 120 1HA GLY 15 1HA GLY 15 -10.358 -5.119 15.662 121 2HA GLY 15 2HA GLY 15 -10.173 -4.350 14.089 122 H HIS 16 H HIS 16 -8.721 -2.742 13.858 123 HA HIS 16 HA HIS 16 -7.872 -1.113 16.035 124 1HB HIS 16 1HB HIS 16 -5.541 -1.820 16.152 125 2HB HIS 16 2HB HIS 16 -6.609 -3.140 16.595 126 HD1 HIS 16 HD1 HIS 16 -7.191 -4.096 13.592 127 HD2 HIS 16 HD2 HIS 16 -3.462 -3.345 15.276 128 HE1 HIS 16 HE1 HIS 16 -5.561 -5.464 12.269 129 HE2 HIS 16 HE2 HIS 16 -3.370 -5.200 13.481 130 H VAL 17 H VAL 17 -6.523 0.619 15.386 131 HA VAL 17 HA VAL 17 -6.865 1.434 12.668 132 HB VAL 17 HB VAL 17 -5.041 2.619 14.780 133 1HG1 VAL 17 1HG1 VAL 17 -5.167 4.660 13.438 134 2HG1 VAL 17 2HG1 VAL 17 -4.471 3.329 12.513 135 3HG1 VAL 17 3HG1 VAL 17 -6.144 3.814 12.237 136 1HG2 VAL 17 1HG2 VAL 17 -7.349 2.556 15.548 137 2HG2 VAL 17 2HG2 VAL 17 -6.864 4.211 15.181 138 3HG2 VAL 17 3HG2 VAL 17 -7.885 3.321 14.052 139 H MET 18 H MET 18 -5.818 0.373 11.121 140 HA MET 18 HA MET 18 -3.235 -0.829 11.652 141 1HB MET 18 1HB MET 18 -4.848 -0.867 9.099 142 2HB MET 18 2HB MET 18 -3.475 -1.893 9.490 143 1HG MET 18 1HG MET 18 -4.812 -2.827 11.376 144 2HG MET 18 2HG MET 18 -6.195 -1.920 10.765 145 1HE MET 18 1HE MET 18 -3.317 -3.845 8.855 146 2HE MET 18 2HE MET 18 -4.112 -5.394 8.571 147 3HE MET 18 3HE MET 18 -3.741 -4.883 10.218 148 H HIS 19 H HIS 19 -1.352 -0.069 11.021 149 HA HIS 19 HA HIS 19 -1.313 2.076 9.010 150 1HB HIS 19 1HB HIS 19 -0.853 2.996 11.255 151 2HB HIS 19 2HB HIS 19 0.461 1.843 11.456 152 HD1 HIS 19 HD1 HIS 19 2.675 2.873 11.055 153 HD2 HIS 19 HD2 HIS 19 -0.300 4.613 8.726 154 HE1 HIS 19 HE1 HIS 19 3.807 4.704 9.759 155 HE2 HIS 19 HE2 HIS 19 2.037 5.585 8.196 156 H PHE 20 H PHE 20 -0.673 0.939 7.276 157 HA PHE 20 HA PHE 20 1.888 -0.471 7.493 158 1HB PHE 20 1HB PHE 20 1.034 -2.157 5.847 159 2HB PHE 20 2HB PHE 20 0.255 -2.234 7.422 160 HD1 PHE 20 HD1 PHE 20 -0.181 -1.383 3.886 161 HD2 PHE 20 HD2 PHE 20 -2.071 -1.673 7.689 162 HE1 PHE 20 HE1 PHE 20 -2.383 -1.230 2.801 163 HE2 PHE 20 HE2 PHE 20 -4.273 -1.518 6.609 164 HZ PHE 20 HZ PHE 20 -4.431 -1.297 4.161 165 H ASP 21 H ASP 21 3.199 -0.381 5.669 166 HA ASP 21 HA ASP 21 2.526 1.884 3.937 167 1HB ASP 21 1HB ASP 21 5.108 0.545 4.672 168 2HB ASP 21 2HB ASP 21 5.007 1.574 3.246 169 H VAL 22 H VAL 22 1.762 1.564 2.006 170 HA VAL 22 HA VAL 22 1.986 -1.038 0.732 171 HB VAL 22 HB VAL 22 0.575 1.458 -0.239 172 1HG1 VAL 22 1HG1 VAL 22 1.120 -0.084 -2.043 173 2HG1 VAL 22 2HG1 VAL 22 0.362 -1.407 -1.157 174 3HG1 VAL 22 3HG1 VAL 22 -0.618 -0.062 -1.741 175 1HG2 VAL 22 1HG2 VAL 22 -1.486 0.351 0.515 176 2HG2 VAL 22 2HG2 VAL 22 -0.519 -0.945 1.220 177 3HG2 VAL 22 3HG2 VAL 22 -0.390 0.697 1.852 178 H PHE 23 H PHE 23 3.818 -1.429 -0.321 179 HA PHE 23 HA PHE 23 5.193 0.746 -1.708 180 1HB PHE 23 1HB PHE 23 6.017 -2.130 -1.252 181 2HB PHE 23 2HB PHE 23 6.998 -0.917 -2.062 182 HD1 PHE 23 HD1 PHE 23 6.349 1.397 -0.193 183 HD2 PHE 23 HD2 PHE 23 7.449 -2.650 0.524 184 HE1 PHE 23 HE1 PHE 23 7.336 2.050 1.963 185 HE2 PHE 23 HE2 PHE 23 8.435 -2.004 2.681 186 HZ PHE 23 HZ PHE 23 8.379 0.349 3.404 187 H THR 24 H THR 24 4.678 1.135 -3.750 188 HA THR 24 HA THR 24 4.642 -1.103 -5.595 189 HB THR 24 HB THR 24 2.256 -0.856 -4.974 190 HG1 THR 24 HG1 THR 24 2.016 -1.510 -6.963 191 1HG2 THR 24 1HG2 THR 24 1.007 1.126 -5.707 192 2HG2 THR 24 2HG2 THR 24 2.215 1.537 -4.491 193 3HG2 THR 24 3HG2 THR 24 2.518 1.898 -6.190 194 H ASP 25 H ASP 25 4.874 -0.411 -7.841 195 HA ASP 25 HA ASP 25 6.483 1.992 -8.032 196 1HB ASP 25 1HB ASP 25 7.103 -0.156 -9.190 197 2HB ASP 25 2HB ASP 25 5.708 0.067 -10.239 198 H VAL 26 H VAL 26 3.264 1.023 -8.554 199 HA VAL 26 HA VAL 26 2.405 2.728 -10.591 200 HB VAL 26 HB VAL 26 0.848 1.822 -8.158 201 1HG1 VAL 26 1HG1 VAL 26 -0.124 2.846 -10.824 202 2HG1 VAL 26 2HG1 VAL 26 -1.141 2.209 -9.532 203 3HG1 VAL 26 3HG1 VAL 26 -0.230 3.699 -9.284 204 1HG2 VAL 26 1HG2 VAL 26 0.023 0.032 -9.604 205 2HG2 VAL 26 2HG2 VAL 26 1.070 0.597 -10.905 206 3HG2 VAL 26 3HG2 VAL 26 1.776 -0.047 -9.422 207 H ARG 27 H ARG 27 2.093 4.854 -10.711 208 HA ARG 27 HA ARG 27 2.838 6.418 -8.353 209 1HB ARG 27 1HB ARG 27 2.691 7.250 -11.257 210 2HB ARG 27 2HB ARG 27 3.383 8.188 -9.939 211 1HG ARG 27 1HG ARG 27 5.132 6.548 -9.637 212 2HG ARG 27 2HG ARG 27 4.407 5.516 -10.870 213 1HD ARG 27 1HD ARG 27 5.520 8.282 -11.316 214 2HD ARG 27 2HD ARG 27 6.322 6.769 -11.738 215 HE ARG 27 HE ARG 27 4.012 7.968 -13.075 216 1HH1 ARG 27 1HH1 ARG 27 6.311 5.322 -12.847 217 2HH1 ARG 27 2HH1 ARG 27 5.988 4.747 -14.453 218 1HH2 ARG 27 1HH2 ARG 27 3.593 7.203 -15.194 219 2HH2 ARG 27 2HH2 ARG 27 4.481 5.827 -15.799 220 H ASP 28 H ASP 28 0.162 5.291 -8.894 221 HA ASP 28 HA ASP 28 -1.404 7.780 -9.055 222 1HB ASP 28 1HB ASP 28 -1.914 6.174 -10.852 223 2HB ASP 28 2HB ASP 28 -2.282 4.944 -9.648 224 H ASP 29 H ASP 29 -2.889 8.232 -7.461 225 HA ASP 29 HA ASP 29 -2.277 7.049 -4.925 226 1HB ASP 29 1HB ASP 29 -3.655 8.758 -3.945 227 2HB ASP 29 2HB ASP 29 -2.686 9.489 -5.218 228 H LYS 30 H LYS 30 -5.189 7.104 -6.992 229 HA LYS 30 HA LYS 30 -6.750 5.768 -4.994 230 1HB LYS 30 1HB LYS 30 -8.529 5.693 -6.653 231 2HB LYS 30 2HB LYS 30 -7.815 7.296 -6.587 232 1HG LYS 30 1HG LYS 30 -6.511 6.771 -8.605 233 2HG LYS 30 2HG LYS 30 -7.304 5.195 -8.679 234 1HD LYS 30 1HD LYS 30 -9.479 6.310 -8.877 235 2HD LYS 30 2HD LYS 30 -8.672 7.879 -8.828 236 1HE LYS 30 1HE LYS 30 -7.450 7.303 -10.872 237 2HE LYS 30 2HE LYS 30 -8.271 5.742 -10.921 238 1HZ LYS 30 1HZ LYS 30 -10.394 6.966 -11.073 239 2HZ LYS 30 2HZ LYS 30 -9.530 8.419 -11.178 240 3HZ LYS 30 3HZ LYS 30 -9.368 7.251 -12.399 241 H LYS 31 H LYS 31 -4.797 4.795 -7.699 242 HA LYS 31 HA LYS 31 -5.635 2.096 -7.822 243 1HB LYS 31 1HB LYS 31 -3.450 3.699 -8.875 244 2HB LYS 31 2HB LYS 31 -2.911 2.089 -8.414 245 1HG LYS 31 1HG LYS 31 -5.252 2.645 -10.223 246 2HG LYS 31 2HG LYS 31 -3.618 2.266 -10.778 247 1HD LYS 31 1HD LYS 31 -3.708 0.098 -9.754 248 2HD LYS 31 2HD LYS 31 -5.243 0.478 -8.971 249 1HE LYS 31 1HE LYS 31 -4.801 0.303 -11.949 250 2HE LYS 31 2HE LYS 31 -5.511 -0.966 -10.951 251 1HZ LYS 31 1HZ LYS 31 -6.618 1.732 -11.489 252 2HZ LYS 31 2HZ LYS 31 -7.278 0.238 -11.942 253 3HZ LYS 31 3HZ LYS 31 -7.242 0.690 -10.303 254 H ALA 32 H ALA 32 -3.113 3.724 -5.931 255 HA ALA 32 HA ALA 32 -2.193 1.447 -4.551 256 1HB ALA 32 1HB ALA 32 -2.241 4.320 -3.626 257 2HB ALA 32 2HB ALA 32 -1.261 3.023 -2.939 258 3HB ALA 32 3HB ALA 32 -0.970 3.568 -4.591 259 H ILE 33 H ILE 33 -4.778 3.749 -3.909 260 HA ILE 33 HA ILE 33 -5.647 2.809 -1.431 261 HB ILE 33 HB ILE 33 -7.274 3.969 -3.704 262 1HG1 ILE 33 1HG1 ILE 33 -6.161 5.255 -1.200 263 2HG1 ILE 33 2HG1 ILE 33 -5.485 5.431 -2.815 264 1HG2 ILE 33 1HG2 ILE 33 -8.031 3.599 -0.809 265 2HG2 ILE 33 2HG2 ILE 33 -8.973 4.480 -2.011 266 3HG2 ILE 33 3HG2 ILE 33 -8.723 2.743 -2.187 267 1HD1 ILE 33 1HD1 ILE 33 -7.540 6.520 -3.553 268 2HD1 ILE 33 2HD1 ILE 33 -8.213 6.343 -1.933 269 3HD1 ILE 33 3HD1 ILE 33 -6.802 7.368 -2.195 270 H GLU 34 H GLU 34 -6.644 1.812 -4.711 271 HA GLU 34 HA GLU 34 -8.483 -0.158 -3.991 272 1HB GLU 34 1HB GLU 34 -6.633 -0.071 -6.380 273 2HB GLU 34 2HB GLU 34 -7.963 -1.203 -6.202 274 1HG GLU 34 1HG GLU 34 -9.518 0.721 -6.078 275 2HG GLU 34 2HG GLU 34 -8.154 1.790 -6.402 276 H PHE 35 H PHE 35 -4.986 -0.396 -4.488 277 HA PHE 35 HA PHE 35 -4.693 -3.144 -4.178 278 1HB PHE 35 1HB PHE 35 -2.792 -0.922 -3.408 279 2HB PHE 35 2HB PHE 35 -2.352 -2.623 -3.483 280 HD1 PHE 35 HD1 PHE 35 -1.271 -0.128 -5.040 281 HD2 PHE 35 HD2 PHE 35 -3.996 -3.257 -5.994 282 HE1 PHE 35 HE1 PHE 35 -0.724 0.127 -7.424 283 HE2 PHE 35 HE2 PHE 35 -3.452 -3.006 -8.379 284 HZ PHE 35 HZ PHE 35 -1.814 -1.312 -9.097 285 H ALA 36 H ALA 36 -4.674 -0.594 -1.711 286 HA ALA 36 HA ALA 36 -4.195 -2.332 0.477 287 1HB ALA 36 1HB ALA 36 -5.503 0.386 0.457 288 2HB ALA 36 2HB ALA 36 -4.870 -0.450 1.875 289 3HB ALA 36 3HB ALA 36 -3.774 0.072 0.596 290 H LYS 37 H LYS 37 -7.136 -1.026 -0.984 291 HA LYS 37 HA LYS 37 -8.962 -1.987 0.919 292 1HB LYS 37 1HB LYS 37 -9.309 -1.359 -2.013 293 2HB LYS 37 2HB LYS 37 -10.646 -1.740 -0.933 294 1HG LYS 37 1HG LYS 37 -10.162 0.182 0.418 295 2HG LYS 37 2HG LYS 37 -8.722 0.537 -0.531 296 1HD LYS 37 1HD LYS 37 -10.484 2.013 -1.226 297 2HD LYS 37 2HD LYS 37 -10.172 0.856 -2.519 298 1HE LYS 37 1HE LYS 37 -12.108 -0.454 -1.822 299 2HE LYS 37 2HE LYS 37 -12.409 0.678 -0.502 300 1HZ LYS 37 1HZ LYS 37 -13.824 1.113 -2.441 301 2HZ LYS 37 2HZ LYS 37 -12.798 2.424 -2.109 302 3HZ LYS 37 3HZ LYS 37 -12.445 1.376 -3.392 303 H GLN 38 H GLN 38 -7.604 -3.469 -1.961 304 HA GLN 38 HA GLN 38 -9.187 -5.774 -2.093 305 1HB GLN 38 1HB GLN 38 -6.267 -5.407 -2.784 306 2HB GLN 38 2HB GLN 38 -7.211 -6.826 -3.210 307 1HG GLN 38 1HG GLN 38 -7.925 -4.046 -4.089 308 2HG GLN 38 2HG GLN 38 -6.896 -5.128 -5.023 309 1HE2 GLN 38 2HE2 GLN 38 -8.303 -5.195 -6.733 310 2HE2 GLN 38 1HE2 GLN 38 -9.819 -6.035 -6.680 311 H TRP 39 H TRP 39 -6.429 -5.000 -0.086 312 HA TRP 39 HA TRP 39 -6.146 -7.693 0.911 313 1HB TRP 39 1HB TRP 39 -4.211 -6.183 0.574 314 2HB TRP 39 2HB TRP 39 -4.843 -5.119 1.823 315 HD1 TRP 39 HD1 TRP 39 -3.793 -8.856 1.573 316 HE1 TRP 39 HE1 TRP 39 -2.573 -9.479 3.757 317 HE3 TRP 39 HE3 TRP 39 -4.242 -4.395 4.033 318 HZ2 TRP 39 HZ2 TRP 39 -1.894 -8.225 6.199 319 HZ3 TRP 39 HZ3 TRP 39 -3.277 -4.189 6.286 320 HH2 TRP 39 HH2 TRP 39 -2.128 -6.066 7.346 321 H LEU 40 H LEU 40 -7.322 -4.582 2.137 322 HA LEU 40 HA LEU 40 -7.841 -5.320 4.778 323 1HB LEU 40 1HB LEU 40 -9.351 -3.370 3.041 324 2HB LEU 40 2HB LEU 40 -9.471 -3.466 4.787 325 HG LEU 40 HG LEU 40 -6.975 -2.752 3.249 326 1HD1 LEU 40 1HD1 LEU 40 -7.346 -0.509 4.162 327 2HD1 LEU 40 2HD1 LEU 40 -8.662 -1.014 3.102 328 3HD1 LEU 40 3HD1 LEU 40 -8.877 -1.050 4.852 329 1HD2 LEU 40 1HD2 LEU 40 -7.537 -2.746 6.214 330 2HD2 LEU 40 2HD2 LEU 40 -6.502 -3.892 5.362 331 3HD2 LEU 40 3HD2 LEU 40 -6.056 -2.188 5.439 332 H SER 41 H SER 41 -9.924 -5.557 1.923 333 HA SER 41 HA SER 41 -12.223 -6.363 3.371 334 1HB SER 41 1HB SER 41 -13.048 -7.028 1.049 335 2HB SER 41 2HB SER 41 -12.592 -5.338 1.270 336 HG SER 41 HG SER 41 -10.934 -5.592 -0.034 337 H SER 42 H SER 42 -9.482 -8.098 2.147 338 HA SER 42 HA SER 42 -10.883 -10.634 2.243 339 1HB SER 42 1HB SER 42 -8.556 -11.520 1.595 340 2HB SER 42 2HB SER 42 -9.409 -10.522 0.418 341 HG SER 42 HG SER 42 -7.937 -9.022 0.613 342 H ILE 43 H ILE 43 -8.624 -8.788 4.200 343 HA ILE 43 HA ILE 43 -8.097 -11.019 5.953 344 HB ILE 43 HB ILE 43 -6.996 -9.373 7.442 345 1HG1 ILE 43 1HG1 ILE 43 -7.700 -7.386 5.273 346 2HG1 ILE 43 2HG1 ILE 43 -8.386 -7.415 6.893 347 1HG2 ILE 43 1HG2 ILE 43 -5.131 -8.874 5.919 348 2HG2 ILE 43 2HG2 ILE 43 -5.721 -10.527 5.747 349 3HG2 ILE 43 3HG2 ILE 43 -6.155 -9.307 4.549 350 1HD1 ILE 43 1HD1 ILE 43 -6.679 -5.712 6.699 351 2HD1 ILE 43 2HD1 ILE 43 -6.177 -6.969 7.830 352 3HD1 ILE 43 3HD1 ILE 43 -5.500 -6.928 6.202 353 H GLY 44 H GLY 44 -10.319 -8.283 5.899 354 1HA GLY 44 1HA GLY 44 -12.521 -8.770 6.824 355 2HA GLY 44 2HA GLY 44 -11.717 -9.619 8.130 356 H GLU 45 H GLU 45 -9.969 -6.855 7.538 357 HA GLU 45 HA GLU 45 -11.025 -5.547 9.879 358 1HB GLU 45 1HB GLU 45 -8.815 -4.793 7.961 359 2HB GLU 45 2HB GLU 45 -9.269 -3.808 9.343 360 1HG GLU 45 1HG GLU 45 -8.289 -6.650 9.484 361 2HG GLU 45 2HG GLU 45 -7.306 -5.218 9.773 362 H GLU 46 H GLU 46 -13.115 -5.586 8.511 363 HA GLU 46 HA GLU 46 -13.367 -3.398 6.620 364 1HB GLU 46 1HB GLU 46 -14.487 -5.856 6.717 365 2HB GLU 46 2HB GLU 46 -15.742 -4.934 7.527 366 1HG GLU 46 1HG GLU 46 -14.643 -4.192 4.831 367 2HG GLU 46 2HG GLU 46 -16.019 -5.268 5.052 368 H GLY 47 H GLY 47 -15.151 -1.831 6.879 369 1HA GLY 47 1HA GLY 47 -16.714 -0.805 8.504 370 2HA GLY 47 2HA GLY 47 -15.486 -1.106 9.729 371 H ALA 48 H ALA 48 -13.524 -0.394 7.436 372 HA ALA 48 HA ALA 48 -13.531 2.468 8.072 373 1HB ALA 48 1HB ALA 48 -11.148 2.423 7.574 374 2HB ALA 48 2HB ALA 48 -11.557 1.210 8.788 375 3HB ALA 48 3HB ALA 48 -11.263 0.724 7.118 376 H THR 49 H THR 49 -13.440 4.004 6.512 377 HA THR 49 HA THR 49 -13.744 3.115 3.730 378 HB THR 49 HB THR 49 -14.272 5.863 4.892 379 HG1 THR 49 HG1 THR 49 -15.673 3.626 5.196 380 1HG2 THR 49 1HG2 THR 49 -13.841 5.848 2.480 381 2HG2 THR 49 2HG2 THR 49 -15.075 4.607 2.264 382 3HG2 THR 49 3HG2 THR 49 -15.533 6.216 2.818 383 H VAL 50 H VAL 50 -12.113 3.463 2.310 384 HA VAL 50 HA VAL 50 -9.790 4.939 3.365 385 HB VAL 50 HB VAL 50 -9.798 2.719 1.315 386 1HG1 VAL 50 1HG1 VAL 50 -7.366 2.731 1.625 387 2HG1 VAL 50 2HG1 VAL 50 -7.955 4.270 0.997 388 3HG1 VAL 50 3HG1 VAL 50 -7.514 4.124 2.698 389 1HG2 VAL 50 1HG2 VAL 50 -9.016 2.689 4.230 390 2HG2 VAL 50 2HG2 VAL 50 -10.409 1.880 3.511 391 3HG2 VAL 50 3HG2 VAL 50 -8.776 1.361 3.093 392 H THR 51 H THR 51 -9.826 6.923 2.556 393 HA THR 51 HA THR 51 -10.066 7.229 -0.370 394 HB THR 51 HB THR 51 -10.484 9.610 0.050 395 HG1 THR 51 HG1 THR 51 -10.327 8.886 2.821 396 1HG2 THR 51 1HG2 THR 51 -12.253 7.814 1.717 397 2HG2 THR 51 2HG2 THR 51 -12.677 9.429 1.148 398 3HG2 THR 51 3HG2 THR 51 -12.419 8.126 -0.011 399 H SER 52 H SER 52 -8.749 9.687 -0.594 400 HA SER 52 HA SER 52 -6.005 8.858 -0.462 401 1HB SER 52 1HB SER 52 -7.105 11.581 -1.196 402 2HB SER 52 2HB SER 52 -5.520 10.926 -1.610 403 HG SER 52 HG SER 52 -6.385 9.739 -3.163 404 H GLU 53 H GLU 53 -8.098 10.176 1.764 405 HA GLU 53 HA GLU 53 -6.105 11.686 3.229 406 1HB GLU 53 1HB GLU 53 -8.525 12.294 3.303 407 2HB GLU 53 2HB GLU 53 -8.853 10.768 4.113 408 1HG GLU 53 1HG GLU 53 -7.375 11.467 5.959 409 2HG GLU 53 2HG GLU 53 -7.153 13.022 5.159 410 H GLU 54 H GLU 54 -7.461 8.488 3.127 411 HA GLU 54 HA GLU 54 -6.195 7.651 5.591 412 1HB GLU 54 1HB GLU 54 -7.784 6.177 3.492 413 2HB GLU 54 2HB GLU 54 -6.981 5.348 4.813 414 1HG GLU 54 1HG GLU 54 -9.322 5.692 5.308 415 2HG GLU 54 2HG GLU 54 -8.310 6.601 6.425 416 H CYS 55 H CYS 55 -5.843 6.938 2.123 417 HA CYS 55 HA CYS 55 -3.177 5.849 2.692 418 1HB CYS 55 1HB CYS 55 -4.860 4.525 1.322 419 2HB CYS 55 2HB CYS 55 -4.669 5.741 0.066 420 HG CYS 55 HG CYS 55 -2.329 3.521 1.194 421 H ARG 56 H ARG 56 -1.598 7.298 2.587 422 HA ARG 56 HA ARG 56 -1.903 9.559 0.714 423 1HB ARG 56 1HB ARG 56 -0.583 9.525 3.432 424 2HB ARG 56 2HB ARG 56 -0.631 10.903 2.343 425 1HG ARG 56 1HG ARG 56 -3.021 11.052 2.556 426 2HG ARG 56 2HG ARG 56 -3.060 9.576 3.525 427 1HD ARG 56 1HD ARG 56 -3.217 11.607 4.903 428 2HD ARG 56 2HD ARG 56 -1.784 10.650 5.275 429 HE ARG 56 HE ARG 56 -1.558 12.932 3.436 430 1HH1 ARG 56 1HH1 ARG 56 -0.786 11.405 6.477 431 2HH1 ARG 56 2HH1 ARG 56 0.460 12.536 6.894 432 1HH2 ARG 56 1HH2 ARG 56 0.082 14.452 3.970 433 2HH2 ARG 56 2HH2 ARG 56 0.954 14.270 5.469 434 H PHE 57 H PHE 57 -0.328 9.865 -0.721 435 HA PHE 57 HA PHE 57 2.033 8.248 -0.739 436 1HB PHE 57 1HB PHE 57 1.126 9.013 -2.852 437 2HB PHE 57 2HB PHE 57 1.261 10.696 -2.349 438 HD1 PHE 57 HD1 PHE 57 3.393 7.673 -2.830 439 HD2 PHE 57 HD2 PHE 57 3.077 11.911 -3.060 440 HE1 PHE 57 HE1 PHE 57 5.645 7.785 -3.813 441 HE2 PHE 57 HE2 PHE 57 5.328 12.031 -4.045 442 HZ PHE 57 HZ PHE 57 6.615 9.965 -4.420 443 H CYS 58 H CYS 58 3.675 8.544 0.623 444 HA CYS 58 HA CYS 58 4.153 11.262 1.625 445 1HB CYS 58 1HB CYS 58 4.894 8.580 2.792 446 2HB CYS 58 2HB CYS 58 5.406 10.123 3.469 447 HG CYS 58 HG CYS 58 3.023 8.632 4.609 448 H HIS 59 H HIS 59 6.142 8.357 0.882 449 HA HIS 59 HA HIS 59 7.976 10.130 -0.523 450 1HB HIS 59 1HB HIS 59 9.922 9.550 0.674 451 2HB HIS 59 2HB HIS 59 8.733 9.963 1.884 452 HD1 HIS 59 HD1 HIS 59 7.846 7.968 3.406 453 HD2 HIS 59 HD2 HIS 59 10.909 6.978 0.762 454 HE1 HIS 59 HE1 HIS 59 8.734 5.749 4.188 455 HE2 HIS 59 HE2 HIS 59 10.539 5.126 2.531 456 H SER 60 H SER 60 9.913 8.736 -1.282 457 HA SER 60 HA SER 60 9.087 6.034 -2.073 458 1HB SER 60 1HB SER 60 10.273 8.029 -4.021 459 2HB SER 60 2HB SER 60 9.723 6.394 -4.381 460 HG SER 60 HG SER 60 8.298 8.730 -4.149 461 H GLU 61 H GLU 61 11.029 4.741 -2.807 462 HA GLU 61 HA GLU 61 13.610 5.850 -2.203 463 1HB GLU 61 1HB GLU 61 14.102 4.226 -0.356 464 2HB GLU 61 2HB GLU 61 12.963 5.496 0.067 465 1HG GLU 61 1HG GLU 61 11.110 3.930 -0.249 466 2HG GLU 61 2HG GLU 61 12.261 2.657 -0.651 467 H LYS 62 H LYS 62 15.289 3.980 -2.106 468 HA LYS 62 HA LYS 62 15.269 2.568 -4.509 469 1HB LYS 62 1HB LYS 62 17.159 1.273 -3.542 470 2HB LYS 62 2HB LYS 62 17.342 3.009 -3.323 471 1HG LYS 62 1HG LYS 62 16.631 2.836 -1.031 472 2HG LYS 62 2HG LYS 62 16.300 1.117 -1.229 473 1HD LYS 62 1HD LYS 62 18.655 0.683 -1.623 474 2HD LYS 62 2HD LYS 62 19.009 2.409 -1.518 475 1HE LYS 62 1HE LYS 62 19.546 1.215 0.564 476 2HE LYS 62 2HE LYS 62 18.309 2.448 0.796 477 1HZ LYS 62 1HZ LYS 62 17.742 0.414 1.955 478 2HZ LYS 62 2HZ LYS 62 16.621 0.708 0.719 479 3HZ LYS 62 3HZ LYS 62 17.823 -0.474 0.512 480 H ALA 63 H ALA 63 14.773 0.493 -5.070 481 HA ALA 63 HA ALA 63 13.081 -0.943 -3.136 482 1HB ALA 63 1HB ALA 63 11.811 -1.769 -5.019 483 2HB ALA 63 2HB ALA 63 11.886 -0.007 -5.066 484 3HB ALA 63 3HB ALA 63 12.906 -0.961 -6.141 485 HA PRO 64 HA PRO 64 16.314 -4.104 -3.601 486 1HB PRO 64 1HB PRO 64 15.237 -5.684 -1.629 487 2HB PRO 64 2HB PRO 64 16.381 -4.374 -1.326 488 1HG PRO 64 1HG PRO 64 13.404 -4.392 -1.062 489 2HG PRO 64 2HG PRO 64 14.619 -3.649 -0.006 490 1HD PRO 64 1HD PRO 64 13.183 -2.206 -1.775 491 2HD PRO 64 2HD PRO 64 14.865 -1.804 -1.375 492 H ASP 65 H ASP 65 16.227 -6.199 -4.472 493 HA ASP 65 HA ASP 65 14.174 -6.652 -6.300 494 1HB ASP 65 1HB ASP 65 15.286 -8.713 -6.814 495 2HB ASP 65 2HB ASP 65 16.511 -7.501 -6.479 496 H GLU 66 H GLU 66 14.496 -7.657 -3.004 497 HA GLU 66 HA GLU 66 12.745 -9.842 -2.981 498 1HB GLU 66 1HB GLU 66 14.278 -9.189 -1.124 499 2HB GLU 66 2HB GLU 66 13.206 -7.844 -0.759 500 1HG GLU 66 1HG GLU 66 12.849 -9.740 0.736 501 2HG GLU 66 2HG GLU 66 11.415 -9.371 -0.220 502 H VAL 67 H VAL 67 12.111 -6.360 -2.527 503 HA VAL 67 HA VAL 67 9.277 -6.857 -2.237 504 HB VAL 67 HB VAL 67 8.976 -4.479 -2.018 505 1HG1 VAL 67 1HG1 VAL 67 9.774 -5.661 -0.056 506 2HG1 VAL 67 2HG1 VAL 67 11.445 -5.376 -0.542 507 3HG1 VAL 67 3HG1 VAL 67 10.413 -4.018 -0.094 508 1HG2 VAL 67 1HG2 VAL 67 10.807 -2.881 -2.242 509 2HG2 VAL 67 2HG2 VAL 67 11.883 -4.177 -2.765 510 3HG2 VAL 67 3HG2 VAL 67 10.504 -3.719 -3.764 511 H ILE 68 H ILE 68 11.510 -6.118 -4.762 512 HA ILE 68 HA ILE 68 9.809 -5.075 -6.723 513 HB ILE 68 HB ILE 68 12.194 -6.903 -7.050 514 1HG1 ILE 68 1HG1 ILE 68 12.802 -4.809 -6.014 515 2HG1 ILE 68 2HG1 ILE 68 13.352 -4.790 -7.687 516 1HG2 ILE 68 1HG2 ILE 68 12.269 -6.150 -9.385 517 2HG2 ILE 68 2HG2 ILE 68 10.788 -7.041 -9.028 518 3HG2 ILE 68 3HG2 ILE 68 10.754 -5.281 -9.144 519 1HD1 ILE 68 1HD1 ILE 68 11.400 -3.436 -8.291 520 2HD1 ILE 68 2HD1 ILE 68 10.905 -3.426 -6.598 521 3HD1 ILE 68 3HD1 ILE 68 12.417 -2.655 -7.079 522 H GLU 69 H GLU 69 10.716 -8.444 -6.072 523 HA GLU 69 HA GLU 69 9.107 -9.610 -8.047 524 1HB GLU 69 1HB GLU 69 11.007 -10.677 -6.759 525 2HB GLU 69 2HB GLU 69 9.890 -10.869 -5.416 526 1HG GLU 69 1HG GLU 69 10.103 -12.922 -6.689 527 2HG GLU 69 2HG GLU 69 8.464 -12.284 -6.780 528 H ALA 70 H ALA 70 8.397 -8.571 -4.781 529 HA ALA 70 HA ALA 70 5.916 -9.901 -4.490 530 1HB ALA 70 1HB ALA 70 5.505 -8.337 -2.659 531 2HB ALA 70 2HB ALA 70 7.139 -8.999 -2.584 532 3HB ALA 70 3HB ALA 70 6.878 -7.361 -3.182 533 H ILE 71 H ILE 71 6.749 -6.612 -5.555 534 HA ILE 71 HA ILE 71 4.052 -5.837 -6.087 535 HB ILE 71 HB ILE 71 6.596 -4.665 -7.231 536 1HG1 ILE 71 1HG1 ILE 71 5.059 -3.814 -4.767 537 2HG1 ILE 71 2HG1 ILE 71 6.550 -4.751 -4.734 538 1HG2 ILE 71 1HG2 ILE 71 5.247 -2.625 -7.491 539 2HG2 ILE 71 2HG2 ILE 71 4.608 -3.969 -8.438 540 3HG2 ILE 71 3HG2 ILE 71 3.827 -3.505 -6.927 541 1HD1 ILE 71 1HD1 ILE 71 6.978 -2.410 -4.291 542 2HD1 ILE 71 2HD1 ILE 71 7.728 -2.903 -5.810 543 3HD1 ILE 71 3HD1 ILE 71 6.233 -1.965 -5.826 544 H LYS 72 H LYS 72 6.687 -7.148 -7.990 545 HA LYS 72 HA LYS 72 5.537 -7.064 -10.537 546 1HB LYS 72 1HB LYS 72 7.850 -7.534 -10.292 547 2HB LYS 72 2HB LYS 72 7.540 -8.882 -9.212 548 1HG LYS 72 1HG LYS 72 6.536 -10.104 -11.133 549 2HG LYS 72 2HG LYS 72 7.059 -8.773 -12.177 550 1HD LYS 72 1HD LYS 72 9.343 -9.160 -11.666 551 2HD LYS 72 2HD LYS 72 8.932 -10.273 -10.363 552 1HE LYS 72 1HE LYS 72 7.900 -11.759 -12.102 553 2HE LYS 72 2HE LYS 72 8.603 -10.695 -13.320 554 1HZ LYS 72 1HZ LYS 72 9.968 -12.677 -12.791 555 2HZ LYS 72 2HZ LYS 72 10.781 -11.208 -12.547 556 3HZ LYS 72 3HZ LYS 72 10.178 -12.074 -11.221 557 H GLN 73 H GLN 73 5.098 -9.278 -7.868 558 HA GLN 73 HA GLN 73 3.630 -11.187 -9.479 559 1HB GLN 73 1HB GLN 73 5.209 -11.846 -7.639 560 2HB GLN 73 2HB GLN 73 4.059 -11.179 -6.490 561 1HG GLN 73 1HG GLN 73 3.813 -13.571 -6.617 562 2HG GLN 73 2HG GLN 73 2.375 -12.785 -7.264 563 1HE2 GLN 73 2HE2 GLN 73 1.927 -12.928 -9.445 564 2HE2 GLN 73 1HE2 GLN 73 2.735 -14.046 -10.489 565 H ASN 74 H ASN 74 2.928 -9.087 -6.675 566 HA ASN 74 HA ASN 74 0.101 -9.831 -6.900 567 1HB ASN 74 1HB ASN 74 1.590 -8.382 -4.701 568 2HB ASN 74 2HB ASN 74 -0.122 -8.792 -4.659 569 1HD2 ASN 74 2HD2 ASN 74 3.122 -9.994 -4.448 570 2HD2 ASN 74 1HD2 ASN 74 2.716 -11.572 -3.866 571 H GLY 75 H GLY 75 2.166 -7.235 -7.672 572 1HA GLY 75 1HA GLY 75 1.481 -5.299 -8.841 573 2HA GLY 75 2HA GLY 75 -0.150 -5.531 -8.224 574 H TYR 76 H TYR 76 1.150 -6.028 -5.519 575 HA TYR 76 HA TYR 76 2.136 -3.428 -4.760 576 1HB TYR 76 1HB TYR 76 0.332 -3.076 -3.074 577 2HB TYR 76 2HB TYR 76 -0.242 -2.965 -4.732 578 HD1 TYR 76 HD1 TYR 76 -1.646 -4.768 -5.679 579 HD2 TYR 76 HD2 TYR 76 -0.468 -4.793 -1.591 580 HE1 TYR 76 HE1 TYR 76 -3.409 -6.409 -5.188 581 HE2 TYR 76 HE2 TYR 76 -2.222 -6.440 -1.092 582 HH TYR 76 HH TYR 76 -3.899 -8.137 -3.513 583 H PHE 77 H PHE 77 3.183 -3.460 -2.770 584 HA PHE 77 HA PHE 77 3.217 -6.071 -1.406 585 1HB PHE 77 1HB PHE 77 5.402 -5.538 -2.365 586 2HB PHE 77 2HB PHE 77 5.408 -3.981 -1.540 587 HD1 PHE 77 HD1 PHE 77 6.558 -3.817 0.444 588 HD2 PHE 77 HD2 PHE 77 5.069 -7.615 -0.762 589 HE1 PHE 77 HE1 PHE 77 7.635 -4.855 2.396 590 HE2 PHE 77 HE2 PHE 77 6.144 -8.661 1.186 591 HZ PHE 77 HZ PHE 77 7.429 -7.281 2.770 592 H ILE 78 H ILE 78 2.079 -6.018 0.386 593 HA ILE 78 HA ILE 78 1.610 -3.528 1.789 594 HB ILE 78 HB ILE 78 0.648 -6.326 2.424 595 1HG1 ILE 78 1HG1 ILE 78 -0.246 -5.486 0.299 596 2HG1 ILE 78 2HG1 ILE 78 -1.509 -5.569 1.522 597 1HG2 ILE 78 1HG2 ILE 78 -0.195 -3.668 3.572 598 2HG2 ILE 78 2HG2 ILE 78 -0.961 -5.221 3.907 599 3HG2 ILE 78 3HG2 ILE 78 0.704 -4.933 4.411 600 1HD1 ILE 78 1HD1 ILE 78 -0.054 -3.078 0.662 601 2HD1 ILE 78 2HD1 ILE 78 -1.687 -3.548 0.190 602 3HD1 ILE 78 3HD1 ILE 78 -1.333 -3.166 1.873 603 H TYR 79 H TYR 79 3.476 -2.914 2.797 604 HA TYR 79 HA TYR 79 4.928 -4.803 4.444 605 1HB TYR 79 1HB TYR 79 6.184 -3.096 3.222 606 2HB TYR 79 2HB TYR 79 5.289 -1.824 4.044 607 HD1 TYR 79 HD1 TYR 79 6.779 -4.915 5.510 608 HD2 TYR 79 HD2 TYR 79 6.941 -0.673 5.212 609 HE1 TYR 79 HE1 TYR 79 8.478 -4.860 7.286 610 HE2 TYR 79 HE2 TYR 79 8.638 -0.609 6.986 611 HH TYR 79 HH TYR 79 9.349 -2.016 8.897 612 H LYS 80 H LYS 80 3.786 -5.436 6.133 613 HA LYS 80 HA LYS 80 1.897 -3.797 7.497 614 1HB LYS 80 1HB LYS 80 2.185 -6.441 7.232 615 2HB LYS 80 2HB LYS 80 3.020 -6.249 8.765 616 1HG LYS 80 1HG LYS 80 1.048 -5.279 9.761 617 2HG LYS 80 2HG LYS 80 0.205 -5.339 8.211 618 1HD LYS 80 1HD LYS 80 1.169 -7.683 9.846 619 2HD LYS 80 2HD LYS 80 -0.506 -7.198 9.575 620 1HE LYS 80 1HE LYS 80 -0.201 -7.631 7.160 621 2HE LYS 80 2HE LYS 80 1.439 -8.187 7.490 622 1HZ LYS 80 1HZ LYS 80 0.454 -9.916 8.945 623 2HZ LYS 80 2HZ LYS 80 -1.089 -9.422 8.446 624 3HZ LYS 80 3HZ LYS 80 0.004 -10.071 7.318 625 H MET 81 H MET 81 2.717 -2.035 8.536 626 HA MET 81 HA MET 81 5.245 -2.300 9.928 627 1HB MET 81 1HB MET 81 3.578 0.127 9.311 628 2HB MET 81 2HB MET 81 5.081 0.173 10.224 629 1HG MET 81 1HG MET 81 5.885 -1.168 8.031 630 2HG MET 81 2HG MET 81 4.625 -0.145 7.341 631 1HE MET 81 1HE MET 81 4.576 2.518 7.705 632 2HE MET 81 2HE MET 81 5.896 3.429 8.440 633 3HE MET 81 3HE MET 81 4.891 2.375 9.435 634 H GLU 82 H GLU 82 2.073 -0.875 10.688 635 HA GLU 82 HA GLU 82 2.695 -1.246 13.543 636 1HB GLU 82 1HB GLU 82 2.289 1.093 12.361 637 2HB GLU 82 2HB GLU 82 0.603 0.656 12.589 638 1HG GLU 82 1HG GLU 82 1.262 2.002 14.423 639 2HG GLU 82 2HG GLU 82 1.089 0.347 15.010 640 H GLY 83 H GLY 83 1.361 -2.450 14.761 641 1HA GLY 83 1HA GLY 83 -0.826 -3.063 15.484 642 2HA GLY 83 2HA GLY 83 -1.402 -2.851 13.838 643 H CYS 84 H CYS 84 1.517 -4.486 13.845 644 HA CYS 84 HA CYS 84 0.843 -7.081 14.601 645 1HB CYS 84 1HB CYS 84 -0.804 -6.978 12.772 646 2HB CYS 84 2HB CYS 84 0.479 -6.574 11.637 647 HG CYS 84 HG CYS 84 1.741 -9.020 11.738 648 H ASN 85 H ASN 85 2.722 -8.052 14.886 649 HA ASN 85 HA ASN 85 4.785 -7.815 12.827 650 1HB ASN 85 1HB ASN 85 5.409 -6.203 14.609 651 2HB ASN 85 2HB ASN 85 5.374 -7.517 15.784 652 1HD2 ASN 85 2HD2 ASN 85 7.537 -7.310 16.304 653 2HD2 ASN 85 1HD2 ASN 85 8.806 -7.775 15.214 Start of MODEL 7 1 H MET 1 H MET 1 16.093 0.932 -8.628 2 HA MET 1 HA MET 1 14.078 1.122 -9.850 3 1HB MET 1 1HB MET 1 13.689 -1.434 -9.721 4 2HB MET 1 2HB MET 1 12.916 -1.101 -8.177 5 1HG MET 1 1HG MET 1 11.393 0.478 -9.367 6 2HG MET 1 2HG MET 1 12.094 -0.080 -10.883 7 1HE MET 1 1HE MET 1 10.906 -1.873 -7.531 8 2HE MET 1 2HE MET 1 9.345 -2.482 -8.083 9 3HE MET 1 3HE MET 1 9.637 -0.745 -8.006 10 H GLN 2 H GLN 2 12.173 2.213 -8.970 11 HA GLN 2 HA GLN 2 12.606 3.031 -6.188 12 1HB GLN 2 1HB GLN 2 11.024 4.915 -6.812 13 2HB GLN 2 2HB GLN 2 12.588 4.927 -7.615 14 1HG GLN 2 1HG GLN 2 11.684 4.244 -9.651 15 2HG GLN 2 2HG GLN 2 10.194 3.673 -8.902 16 1HE2 GLN 2 2HE2 GLN 2 8.570 5.091 -8.456 17 2HE2 GLN 2 1HE2 GLN 2 8.575 6.747 -8.998 18 H ILE 3 H ILE 3 10.744 3.313 -4.815 19 HA ILE 3 HA ILE 3 8.301 1.933 -5.661 20 HB ILE 3 HB ILE 3 8.153 1.060 -3.239 21 1HG1 ILE 3 1HG1 ILE 3 11.154 1.380 -3.483 22 2HG1 ILE 3 2HG1 ILE 3 10.115 2.282 -2.386 23 1HG2 ILE 3 1HG2 ILE 3 9.406 -1.004 -3.862 24 2HG2 ILE 3 2HG2 ILE 3 8.261 -0.436 -5.079 25 3HG2 ILE 3 3HG2 ILE 3 9.985 -0.147 -5.291 26 1HD1 ILE 3 1HD1 ILE 3 10.563 -0.694 -2.333 27 2HD1 ILE 3 2HD1 ILE 3 11.293 0.487 -1.244 28 3HD1 ILE 3 3HD1 ILE 3 9.549 0.224 -1.220 29 H HIS 4 H HIS 4 6.477 2.923 -5.051 30 HA HIS 4 HA HIS 4 6.647 5.368 -3.509 31 1HB HIS 4 1HB HIS 4 4.364 3.947 -4.883 32 2HB HIS 4 2HB HIS 4 4.119 5.366 -3.876 33 HD1 HIS 4 HD1 HIS 4 3.245 6.740 -5.847 34 HD2 HIS 4 HD2 HIS 4 7.123 5.326 -6.373 35 HE1 HIS 4 HE1 HIS 4 4.161 7.991 -7.830 36 HE2 HIS 4 HE2 HIS 4 6.572 7.264 -7.999 37 H VAL 5 H VAL 5 6.583 5.343 -1.382 38 HA VAL 5 HA VAL 5 5.484 3.021 0.007 39 HB VAL 5 HB VAL 5 6.944 5.412 1.153 40 1HG1 VAL 5 1HG1 VAL 5 5.566 4.248 2.787 41 2HG1 VAL 5 2HG1 VAL 5 6.315 2.714 2.345 42 3HG1 VAL 5 3HG1 VAL 5 7.279 3.979 3.109 43 1HG2 VAL 5 1HG2 VAL 5 8.382 4.213 -0.396 44 2HG2 VAL 5 2HG2 VAL 5 8.905 3.929 1.265 45 3HG2 VAL 5 3HG2 VAL 5 7.998 2.687 0.399 46 H TYR 6 H TYR 6 3.365 3.100 0.385 47 HA TYR 6 HA TYR 6 2.176 5.679 1.154 48 1HB TYR 6 1HB TYR 6 0.822 3.179 0.123 49 2HB TYR 6 2HB TYR 6 0.006 4.679 0.550 50 HD1 TYR 6 HD1 TYR 6 1.616 2.840 -2.044 51 HD2 TYR 6 HD2 TYR 6 0.652 6.787 -0.783 52 HE1 TYR 6 HE1 TYR 6 1.909 3.642 -4.348 53 HE2 TYR 6 HE2 TYR 6 0.944 7.599 -3.086 54 HH TYR 6 HH TYR 6 1.028 5.619 -5.737 55 H ASP 7 H ASP 7 2.488 5.754 3.335 56 HA ASP 7 HA ASP 7 1.937 3.526 5.062 57 1HB ASP 7 1HB ASP 7 3.555 5.280 5.704 58 2HB ASP 7 2HB ASP 7 2.264 6.472 5.713 59 H THR 8 H THR 8 -0.106 2.843 4.654 60 HA THR 8 HA THR 8 -2.260 4.747 4.333 61 HB THR 8 HB THR 8 -2.368 1.726 4.276 62 HG1 THR 8 HG1 THR 8 -0.941 2.897 2.699 63 1HG2 THR 8 1HG2 THR 8 -4.414 2.073 2.965 64 2HG2 THR 8 2HG2 THR 8 -4.556 2.788 4.570 65 3HG2 THR 8 3HG2 THR 8 -4.252 3.817 3.171 66 H TYR 9 H TYR 9 -3.405 5.477 5.952 67 HA TYR 9 HA TYR 9 -3.345 4.134 8.537 68 1HB TYR 9 1HB TYR 9 -4.748 6.722 7.855 69 2HB TYR 9 2HB TYR 9 -4.210 6.168 9.437 70 HD1 TYR 9 HD1 TYR 9 -3.319 7.961 6.446 71 HD2 TYR 9 HD2 TYR 9 -1.735 6.069 9.909 72 HE1 TYR 9 HE1 TYR 9 -1.200 9.166 6.123 73 HE2 TYR 9 HE2 TYR 9 0.386 7.269 9.599 74 HH TYR 9 HH TYR 9 1.636 8.308 7.607 75 H VAL 10 H VAL 10 -4.788 2.504 8.728 76 HA VAL 10 HA VAL 10 -7.489 2.917 7.631 77 HB VAL 10 HB VAL 10 -6.117 0.348 8.458 78 1HG1 VAL 10 1HG1 VAL 10 -8.502 0.197 8.853 79 2HG1 VAL 10 2HG1 VAL 10 -8.834 0.804 7.230 80 3HG1 VAL 10 3HG1 VAL 10 -8.067 -0.769 7.442 81 1HG2 VAL 10 1HG2 VAL 10 -6.814 1.436 5.732 82 2HG2 VAL 10 2HG2 VAL 10 -5.196 1.260 6.407 83 3HG2 VAL 10 3HG2 VAL 10 -6.164 -0.171 6.055 84 H LYS 11 H LYS 11 -8.968 3.520 9.036 85 HA LYS 11 HA LYS 11 -8.465 3.280 11.878 86 1HB LYS 11 1HB LYS 11 -10.854 4.493 10.476 87 2HB LYS 11 2HB LYS 11 -10.376 4.733 12.152 88 1HG LYS 11 1HG LYS 11 -8.304 5.825 11.369 89 2HG LYS 11 2HG LYS 11 -8.877 5.656 9.709 90 1HD LYS 11 1HD LYS 11 -10.878 6.991 10.316 91 2HD LYS 11 2HD LYS 11 -10.187 7.237 11.921 92 1HE LYS 11 1HE LYS 11 -9.689 9.171 10.617 93 2HE LYS 11 2HE LYS 11 -8.191 8.263 10.813 94 1HZ LYS 11 1HZ LYS 11 -8.558 7.325 8.588 95 2HZ LYS 11 2HZ LYS 11 -9.940 8.288 8.408 96 3HZ LYS 11 3HZ LYS 11 -8.410 9.010 8.551 97 H ALA 12 H ALA 12 -8.809 1.290 12.630 98 HA ALA 12 HA ALA 12 -10.784 -0.500 11.660 99 1HB ALA 12 1HB ALA 12 -10.138 -1.921 13.526 100 2HB ALA 12 2HB ALA 12 -8.713 -1.257 12.726 101 3HB ALA 12 3HB ALA 12 -9.259 -0.579 14.260 102 H LYS 13 H LYS 13 -12.531 -1.431 12.952 103 HA LYS 13 HA LYS 13 -14.300 0.638 13.784 104 1HB LYS 13 1HB LYS 13 -14.654 -2.339 14.160 105 2HB LYS 13 2HB LYS 13 -15.918 -1.117 14.133 106 1HG LYS 13 1HG LYS 13 -15.359 -0.650 11.770 107 2HG LYS 13 2HG LYS 13 -14.186 -1.967 11.821 108 1HD LYS 13 1HD LYS 13 -16.065 -3.483 12.502 109 2HD LYS 13 2HD LYS 13 -17.172 -2.151 12.173 110 1HE LYS 13 1HE LYS 13 -17.144 -3.515 10.232 111 2HE LYS 13 2HE LYS 13 -16.213 -2.067 9.850 112 1HZ LYS 13 1HZ LYS 13 -15.184 -4.192 9.106 113 2HZ LYS 13 2HZ LYS 13 -14.184 -3.268 10.118 114 3HZ LYS 13 3HZ LYS 13 -14.990 -4.625 10.732 115 H ASP 14 H ASP 14 -12.207 -1.573 15.454 116 HA ASP 14 HA ASP 14 -13.379 -1.315 18.032 117 1HB ASP 14 1HB ASP 14 -11.952 -3.215 17.502 118 2HB ASP 14 2HB ASP 14 -10.585 -2.143 17.214 119 H GLY 15 H GLY 15 -11.162 0.600 16.190 120 1HA GLY 15 1HA GLY 15 -10.865 2.921 16.810 121 2HA GLY 15 2HA GLY 15 -10.900 2.419 18.495 122 H HIS 16 H HIS 16 -9.077 1.619 15.551 123 HA HIS 16 HA HIS 16 -6.590 2.269 16.901 124 1HB HIS 16 1HB HIS 16 -6.936 -0.118 17.427 125 2HB HIS 16 2HB HIS 16 -7.099 -0.470 15.714 126 HD1 HIS 16 HD1 HIS 16 -4.505 0.640 18.237 127 HD2 HIS 16 HD2 HIS 16 -4.739 -0.929 14.394 128 HE1 HIS 16 HE1 HIS 16 -2.144 0.046 17.602 129 HE2 HIS 16 HE2 HIS 16 -2.329 -1.020 15.324 130 H VAL 17 H VAL 17 -5.008 2.897 15.495 131 HA VAL 17 HA VAL 17 -5.910 3.327 12.749 132 HB VAL 17 HB VAL 17 -3.488 4.483 14.147 133 1HG1 VAL 17 1HG1 VAL 17 -3.231 4.412 11.729 134 2HG1 VAL 17 2HG1 VAL 17 -4.791 5.209 11.522 135 3HG1 VAL 17 3HG1 VAL 17 -3.452 6.074 12.278 136 1HG2 VAL 17 1HG2 VAL 17 -4.791 6.552 14.299 137 2HG2 VAL 17 2HG2 VAL 17 -6.189 5.722 13.615 138 3HG2 VAL 17 3HG2 VAL 17 -5.559 5.240 15.191 139 H MET 18 H MET 18 -5.576 1.442 11.712 140 HA MET 18 HA MET 18 -3.084 0.005 11.942 141 1HB MET 18 1HB MET 18 -5.442 -0.361 10.078 142 2HB MET 18 2HB MET 18 -4.067 -1.452 10.181 143 1HG MET 18 1HG MET 18 -4.632 -2.074 12.407 144 2HG MET 18 2HG MET 18 -5.868 -0.822 12.501 145 1HE MET 18 1HE MET 18 -4.807 -4.158 10.688 146 2HE MET 18 2HE MET 18 -5.211 -3.086 9.347 147 3HE MET 18 3HE MET 18 -6.232 -4.479 9.700 148 H HIS 19 H HIS 19 -1.531 1.495 11.244 149 HA HIS 19 HA HIS 19 -1.717 2.235 8.415 150 1HB HIS 19 1HB HIS 19 -0.075 3.961 8.818 151 2HB HIS 19 2HB HIS 19 -1.375 4.118 9.990 152 HD1 HIS 19 HD1 HIS 19 2.242 3.798 9.692 153 HD2 HIS 19 HD2 HIS 19 -0.627 3.207 12.647 154 HE1 HIS 19 HE1 HIS 19 3.512 3.729 11.872 155 HE2 HIS 19 HE2 HIS 19 1.741 3.470 13.660 156 H PHE 20 H PHE 20 -0.386 1.441 6.971 157 HA PHE 20 HA PHE 20 1.957 -0.086 7.786 158 1HB PHE 20 1HB PHE 20 1.164 -1.990 6.285 159 2HB PHE 20 2HB PHE 20 0.340 -1.826 7.832 160 HD1 PHE 20 HD1 PHE 20 0.027 -1.423 4.196 161 HD2 PHE 20 HD2 PHE 20 -1.968 -1.195 7.949 162 HE1 PHE 20 HE1 PHE 20 -2.140 -1.332 3.035 163 HE2 PHE 20 HE2 PHE 20 -4.137 -1.103 6.793 164 HZ PHE 20 HZ PHE 20 -4.225 -1.172 4.334 165 H ASP 21 H ASP 21 3.143 -0.882 5.757 166 HA ASP 21 HA ASP 21 3.250 1.445 3.984 167 1HB ASP 21 1HB ASP 21 5.239 -0.810 4.354 168 2HB ASP 21 2HB ASP 21 5.472 0.596 3.324 169 H VAL 22 H VAL 22 1.931 1.206 2.292 170 HA VAL 22 HA VAL 22 1.764 -1.319 0.879 171 HB VAL 22 HB VAL 22 0.634 1.382 0.108 172 1HG1 VAL 22 1HG1 VAL 22 -0.796 0.110 -1.424 173 2HG1 VAL 22 2HG1 VAL 22 0.913 -0.081 -1.818 174 3HG1 VAL 22 3HG1 VAL 22 0.051 -1.371 -0.979 175 1HG2 VAL 22 1HG2 VAL 22 -0.680 -0.973 1.459 176 2HG2 VAL 22 2HG2 VAL 22 -0.327 0.592 2.192 177 3HG2 VAL 22 3HG2 VAL 22 -1.512 0.475 0.891 178 H PHE 23 H PHE 23 3.705 -1.799 0.011 179 HA PHE 23 HA PHE 23 5.234 0.206 -1.404 180 1HB PHE 23 1HB PHE 23 5.682 -2.745 -0.955 181 2HB PHE 23 2HB PHE 23 6.771 -1.732 -1.894 182 HD1 PHE 23 HD1 PHE 23 6.099 -3.048 1.284 183 HD2 PHE 23 HD2 PHE 23 7.625 0.417 -0.658 184 HE1 PHE 23 HE1 PHE 23 7.292 -2.422 3.342 185 HE2 PHE 23 HE2 PHE 23 8.821 1.047 1.395 186 HZ PHE 23 HZ PHE 23 8.658 -0.374 3.399 187 H THR 24 H THR 24 4.397 0.820 -3.286 188 HA THR 24 HA THR 24 4.392 -1.174 -5.390 189 HB THR 24 HB THR 24 2.037 -1.184 -4.713 190 HG1 THR 24 HG1 THR 24 1.653 -1.385 -6.770 191 1HG2 THR 24 1HG2 THR 24 2.081 1.773 -5.332 192 2HG2 THR 24 2HG2 THR 24 0.642 0.818 -4.973 193 3HG2 THR 24 3HG2 THR 24 1.880 1.048 -3.737 194 H ASP 25 H ASP 25 4.871 -0.261 -7.425 195 HA ASP 25 HA ASP 25 5.527 2.604 -7.293 196 1HB ASP 25 1HB ASP 25 7.469 0.997 -7.549 197 2HB ASP 25 2HB ASP 25 6.825 0.598 -9.141 198 H VAL 26 H VAL 26 3.191 0.727 -8.313 199 HA VAL 26 HA VAL 26 2.793 1.497 -11.013 200 HB VAL 26 HB VAL 26 0.718 0.784 -8.924 201 1HG1 VAL 26 1HG1 VAL 26 0.525 0.871 -11.933 202 2HG1 VAL 26 2HG1 VAL 26 -0.719 0.248 -10.848 203 3HG1 VAL 26 3HG1 VAL 26 -0.280 1.955 -10.799 204 1HG2 VAL 26 1HG2 VAL 26 2.358 -0.998 -9.250 205 2HG2 VAL 26 2HG2 VAL 26 0.784 -1.459 -9.901 206 3HG2 VAL 26 3HG2 VAL 26 2.075 -0.948 -10.990 207 H ARG 27 H ARG 27 2.651 3.553 -11.655 208 HA ARG 27 HA ARG 27 2.088 5.624 -9.769 209 1HB ARG 27 1HB ARG 27 2.590 5.771 -12.742 210 2HB ARG 27 2HB ARG 27 2.436 7.167 -11.684 211 1HG ARG 27 1HG ARG 27 4.368 6.228 -10.360 212 2HG ARG 27 2HG ARG 27 4.588 5.070 -11.672 213 1HD ARG 27 1HD ARG 27 4.669 8.076 -11.924 214 2HD ARG 27 2HD ARG 27 6.067 7.003 -11.924 215 HE ARG 27 HE ARG 27 5.213 6.073 -14.029 216 1HH1 ARG 27 1HH1 ARG 27 4.031 9.205 -12.982 217 2HH1 ARG 27 2HH1 ARG 27 3.580 9.711 -14.581 218 1HH2 ARG 27 1HH2 ARG 27 4.653 6.758 -16.145 219 2HH2 ARG 27 2HH2 ARG 27 3.945 8.326 -16.372 220 H ASP 28 H ASP 28 -0.050 4.795 -9.260 221 HA ASP 28 HA ASP 28 -1.942 6.563 -10.569 222 1HB ASP 28 1HB ASP 28 -2.360 4.368 -11.666 223 2HB ASP 28 2HB ASP 28 -2.609 3.646 -10.082 224 H ASP 29 H ASP 29 -2.639 7.768 -8.985 225 HA ASP 29 HA ASP 29 -1.961 7.387 -6.323 226 1HB ASP 29 1HB ASP 29 -4.199 9.121 -7.382 227 2HB ASP 29 2HB ASP 29 -3.342 9.324 -5.854 228 H LYS 30 H LYS 30 -4.905 6.505 -8.039 229 HA LYS 30 HA LYS 30 -6.225 5.892 -5.530 230 1HB LYS 30 1HB LYS 30 -8.213 5.541 -6.771 231 2HB LYS 30 2HB LYS 30 -7.432 6.953 -7.463 232 1HG LYS 30 1HG LYS 30 -6.534 5.485 -9.263 233 2HG LYS 30 2HG LYS 30 -7.516 4.174 -8.599 234 1HD LYS 30 1HD LYS 30 -9.459 5.888 -8.796 235 2HD LYS 30 2HD LYS 30 -8.386 6.705 -9.934 236 1HE LYS 30 1HE LYS 30 -9.836 5.248 -11.165 237 2HE LYS 30 2HE LYS 30 -8.207 4.572 -11.198 238 1HZ LYS 30 1HZ LYS 30 -10.325 3.717 -9.300 239 2HZ LYS 30 2HZ LYS 30 -9.971 2.913 -10.751 240 3HZ LYS 30 3HZ LYS 30 -8.806 2.996 -9.522 241 H LYS 31 H LYS 31 -4.231 4.265 -7.755 242 HA LYS 31 HA LYS 31 -5.244 1.630 -7.431 243 1HB LYS 31 1HB LYS 31 -2.608 2.751 -8.299 244 2HB LYS 31 2HB LYS 31 -2.728 1.041 -7.918 245 1HG LYS 31 1HG LYS 31 -4.379 2.505 -9.956 246 2HG LYS 31 2HG LYS 31 -3.000 1.460 -10.295 247 1HD LYS 31 1HD LYS 31 -4.154 -0.464 -9.569 248 2HD LYS 31 2HD LYS 31 -5.425 0.492 -8.805 249 1HE LYS 31 1HE LYS 31 -4.874 0.309 -11.761 250 2HE LYS 31 2HE LYS 31 -6.204 -0.469 -10.901 251 1HZ LYS 31 1HZ LYS 31 -5.766 2.470 -11.068 252 2HZ LYS 31 2HZ LYS 31 -6.887 1.591 -11.994 253 3HZ LYS 31 3HZ LYS 31 -7.070 1.687 -10.308 254 H ALA 32 H ALA 32 -2.974 3.605 -5.633 255 HA ALA 32 HA ALA 32 -2.014 1.714 -3.828 256 1HB ALA 32 1HB ALA 32 -2.648 4.608 -3.256 257 2HB ALA 32 2HB ALA 32 -1.521 3.583 -2.370 258 3HB ALA 32 3HB ALA 32 -1.177 4.034 -4.042 259 H ILE 33 H ILE 33 -4.981 3.584 -3.845 260 HA ILE 33 HA ILE 33 -5.987 2.655 -1.355 261 HB ILE 33 HB ILE 33 -7.440 3.823 -3.738 262 1HG1 ILE 33 1HG1 ILE 33 -6.510 5.129 -1.168 263 2HG1 ILE 33 2HG1 ILE 33 -5.714 5.293 -2.731 264 1HG2 ILE 33 1HG2 ILE 33 -8.385 3.452 -0.896 265 2HG2 ILE 33 2HG2 ILE 33 -9.258 4.305 -2.169 266 3HG2 ILE 33 3HG2 ILE 33 -8.964 2.572 -2.311 267 1HD1 ILE 33 1HD1 ILE 33 -7.713 6.368 -3.632 268 2HD1 ILE 33 2HD1 ILE 33 -8.505 6.206 -2.064 269 3HD1 ILE 33 3HD1 ILE 33 -7.081 7.233 -2.231 270 H GLU 34 H GLU 34 -6.586 1.740 -4.737 271 HA GLU 34 HA GLU 34 -8.555 -0.193 -4.202 272 1HB GLU 34 1HB GLU 34 -6.679 0.040 -6.561 273 2HB GLU 34 2HB GLU 34 -8.097 -0.998 -6.503 274 1HG GLU 34 1HG GLU 34 -9.518 0.975 -6.206 275 2HG GLU 34 2HG GLU 34 -8.093 2.005 -6.297 276 H PHE 35 H PHE 35 -5.033 -0.488 -4.526 277 HA PHE 35 HA PHE 35 -4.968 -3.313 -4.298 278 1HB PHE 35 1HB PHE 35 -2.866 -1.219 -3.733 279 2HB PHE 35 2HB PHE 35 -2.556 -2.948 -3.633 280 HD1 PHE 35 HD1 PHE 35 -1.431 -0.631 -5.491 281 HD2 PHE 35 HD2 PHE 35 -4.214 -3.807 -6.004 282 HE1 PHE 35 HE1 PHE 35 -0.931 -0.675 -7.900 283 HE2 PHE 35 HE2 PHE 35 -3.720 -3.858 -8.414 284 HZ PHE 35 HZ PHE 35 -2.075 -2.290 -9.365 285 H ALA 36 H ALA 36 -4.814 -0.703 -1.925 286 HA ALA 36 HA ALA 36 -4.351 -2.317 0.343 287 1HB ALA 36 1HB ALA 36 -5.800 0.326 0.175 288 2HB ALA 36 2HB ALA 36 -5.167 -0.417 1.644 289 3HB ALA 36 3HB ALA 36 -4.060 0.114 0.378 290 H LYS 37 H LYS 37 -7.304 -1.244 -1.271 291 HA LYS 37 HA LYS 37 -9.195 -2.266 0.502 292 1HB LYS 37 1HB LYS 37 -9.262 -1.911 -2.490 293 2HB LYS 37 2HB LYS 37 -10.657 -2.460 -1.574 294 1HG LYS 37 1HG LYS 37 -9.234 0.123 -1.001 295 2HG LYS 37 2HG LYS 37 -10.592 -0.010 -2.117 296 1HD LYS 37 1HD LYS 37 -11.953 -0.958 -0.263 297 2HD LYS 37 2HD LYS 37 -10.599 -0.657 0.830 298 1HE LYS 37 1HE LYS 37 -10.741 1.706 0.451 299 2HE LYS 37 2HE LYS 37 -11.942 1.477 -0.819 300 1HZ LYS 37 1HZ LYS 37 -13.459 0.583 0.871 301 2HZ LYS 37 2HZ LYS 37 -12.317 0.912 2.076 302 3HZ LYS 37 3HZ LYS 37 -13.014 2.181 1.197 303 H GLN 38 H GLN 38 -7.397 -3.871 -2.079 304 HA GLN 38 HA GLN 38 -8.782 -6.308 -2.061 305 1HB GLN 38 1HB GLN 38 -5.867 -5.782 -2.665 306 2HB GLN 38 2HB GLN 38 -6.697 -7.294 -3.000 307 1HG GLN 38 1HG GLN 38 -8.264 -6.021 -4.466 308 2HG GLN 38 2HG GLN 38 -7.242 -4.605 -4.229 309 1HE2 GLN 38 2HE2 GLN 38 -5.994 -7.861 -4.469 310 2HE2 GLN 38 1HE2 GLN 38 -5.216 -7.656 -5.995 311 H TRP 39 H TRP 39 -5.869 -5.349 -0.239 312 HA TRP 39 HA TRP 39 -5.647 -7.795 1.177 313 1HB TRP 39 1HB TRP 39 -3.758 -6.234 0.949 314 2HB TRP 39 2HB TRP 39 -4.617 -5.047 1.923 315 HD1 TRP 39 HD1 TRP 39 -3.148 -8.621 2.320 316 HE1 TRP 39 HE1 TRP 39 -2.370 -8.896 4.764 317 HE3 TRP 39 HE3 TRP 39 -4.730 -4.128 4.185 318 HZ2 TRP 39 HZ2 TRP 39 -2.421 -7.403 7.153 319 HZ3 TRP 39 HZ3 TRP 39 -4.327 -3.633 6.562 320 HH2 TRP 39 HH2 TRP 39 -3.197 -5.237 8.012 321 H LEU 40 H LEU 40 -7.243 -4.725 1.882 322 HA LEU 40 HA LEU 40 -8.081 -5.330 4.493 323 1HB LEU 40 1HB LEU 40 -9.311 -3.554 2.391 324 2HB LEU 40 2HB LEU 40 -9.880 -3.633 4.047 325 HG LEU 40 HG LEU 40 -7.126 -2.748 3.184 326 1HD1 LEU 40 1HD1 LEU 40 -9.483 -1.181 4.219 327 2HD1 LEU 40 2HD1 LEU 40 -7.871 -0.534 3.907 328 3HD1 LEU 40 3HD1 LEU 40 -8.848 -1.146 2.573 329 1HD2 LEU 40 1HD2 LEU 40 -7.115 -3.827 5.374 330 2HD2 LEU 40 2HD2 LEU 40 -6.848 -2.089 5.522 331 3HD2 LEU 40 3HD2 LEU 40 -8.428 -2.775 5.904 332 H SER 41 H SER 41 -9.584 -5.956 1.346 333 HA SER 41 HA SER 41 -11.985 -7.046 2.346 334 1HB SER 41 1HB SER 41 -10.570 -7.660 -0.261 335 2HB SER 41 2HB SER 41 -12.254 -8.032 0.106 336 HG SER 41 HG SER 41 -11.067 -5.450 -0.038 337 H SER 42 H SER 42 -8.800 -8.384 1.861 338 HA SER 42 HA SER 42 -9.524 -11.112 2.117 339 1HB SER 42 1HB SER 42 -7.383 -10.314 1.112 340 2HB SER 42 2HB SER 42 -6.849 -9.824 2.720 341 HG SER 42 HG SER 42 -6.062 -11.801 2.672 342 H ILE 43 H ILE 43 -8.340 -8.689 4.449 343 HA ILE 43 HA ILE 43 -8.391 -10.583 6.612 344 HB ILE 43 HB ILE 43 -7.856 -8.688 8.077 345 1HG1 ILE 43 1HG1 ILE 43 -7.999 -7.011 5.559 346 2HG1 ILE 43 2HG1 ILE 43 -9.173 -6.965 6.871 347 1HG2 ILE 43 1HG2 ILE 43 -6.062 -9.872 6.974 348 2HG2 ILE 43 2HG2 ILE 43 -6.215 -8.836 5.554 349 3HG2 ILE 43 3HG2 ILE 43 -5.668 -8.157 7.086 350 1HD1 ILE 43 1HD1 ILE 43 -7.622 -5.105 7.002 351 2HD1 ILE 43 2HD1 ILE 43 -7.439 -6.174 8.393 352 3HD1 ILE 43 3HD1 ILE 43 -6.263 -6.226 7.080 353 H GLY 44 H GLY 44 -10.647 -8.337 5.239 354 1HA GLY 44 1HA GLY 44 -12.988 -9.097 5.788 355 2HA GLY 44 2HA GLY 44 -12.498 -8.928 7.467 356 H GLU 45 H GLU 45 -10.895 -6.487 6.582 357 HA GLU 45 HA GLU 45 -13.020 -4.606 7.137 358 1HB GLU 45 1HB GLU 45 -10.050 -4.161 6.779 359 2HB GLU 45 2HB GLU 45 -11.200 -2.962 7.353 360 1HG GLU 45 1HG GLU 45 -10.394 -5.512 8.720 361 2HG GLU 45 2HG GLU 45 -10.028 -3.862 9.225 362 H GLU 46 H GLU 46 -13.476 -5.681 4.698 363 HA GLU 46 HA GLU 46 -12.364 -4.370 2.484 364 1HB GLU 46 1HB GLU 46 -14.509 -5.051 1.340 365 2HB GLU 46 2HB GLU 46 -13.626 -6.354 2.122 366 1HG GLU 46 1HG GLU 46 -15.146 -6.103 4.084 367 2HG GLU 46 2HG GLU 46 -16.089 -4.960 3.130 368 H GLY 47 H GLY 47 -14.895 -3.442 4.703 369 1HA GLY 47 1HA GLY 47 -15.560 -1.111 3.064 370 2HA GLY 47 2HA GLY 47 -16.477 -1.698 4.443 371 H ALA 48 H ALA 48 -13.014 -1.367 4.613 372 HA ALA 48 HA ALA 48 -13.242 0.518 6.772 373 1HB ALA 48 1HB ALA 48 -10.778 -0.472 5.340 374 2HB ALA 48 2HB ALA 48 -10.811 0.409 6.868 375 3HB ALA 48 3HB ALA 48 -11.501 -1.211 6.769 376 H THR 49 H THR 49 -12.718 2.672 6.776 377 HA THR 49 HA THR 49 -13.168 4.099 4.373 378 HB THR 49 HB THR 49 -11.983 5.232 6.908 379 HG1 THR 49 HG1 THR 49 -13.800 4.230 7.620 380 1HG2 THR 49 1HG2 THR 49 -12.023 6.742 4.980 381 2HG2 THR 49 2HG2 THR 49 -13.747 6.433 4.767 382 3HG2 THR 49 3HG2 THR 49 -13.172 7.264 6.213 383 H VAL 50 H VAL 50 -11.683 3.973 2.776 384 HA VAL 50 HA VAL 50 -8.988 4.944 3.432 385 HB VAL 50 HB VAL 50 -9.560 2.844 1.330 386 1HG1 VAL 50 1HG1 VAL 50 -7.117 2.656 1.205 387 2HG1 VAL 50 2HG1 VAL 50 -7.670 4.279 0.787 388 3HG1 VAL 50 3HG1 VAL 50 -6.961 3.969 2.373 389 1HG2 VAL 50 1HG2 VAL 50 -8.264 2.525 4.036 390 2HG2 VAL 50 2HG2 VAL 50 -9.847 1.908 3.564 391 3HG2 VAL 50 3HG2 VAL 50 -8.389 1.276 2.797 392 H THR 51 H THR 51 -9.449 7.036 2.777 393 HA THR 51 HA THR 51 -9.972 7.347 -0.106 394 HB THR 51 HB THR 51 -10.528 9.686 0.357 395 HG1 THR 51 HG1 THR 51 -10.015 8.988 3.093 396 1HG2 THR 51 1HG2 THR 51 -12.334 8.050 0.479 397 2HG2 THR 51 2HG2 THR 51 -11.992 7.782 2.187 398 3HG2 THR 51 3HG2 THR 51 -12.591 9.349 1.644 399 H SER 52 H SER 52 -8.869 9.857 -0.476 400 HA SER 52 HA SER 52 -6.128 9.234 -0.801 401 1HB SER 52 1HB SER 52 -7.453 11.947 -1.015 402 2HB SER 52 2HB SER 52 -5.941 11.441 -1.772 403 HG SER 52 HG SER 52 -7.762 11.365 -3.206 404 H GLU 53 H GLU 53 -7.833 10.350 1.890 405 HA GLU 53 HA GLU 53 -5.605 11.780 3.064 406 1HB GLU 53 1HB GLU 53 -8.360 11.057 4.038 407 2HB GLU 53 2HB GLU 53 -7.161 11.815 5.070 408 1HG GLU 53 1HG GLU 53 -7.055 13.721 3.549 409 2HG GLU 53 2HG GLU 53 -8.269 12.957 2.524 410 H GLU 54 H GLU 54 -7.113 8.633 3.202 411 HA GLU 54 HA GLU 54 -5.655 7.814 5.550 412 1HB GLU 54 1HB GLU 54 -7.469 6.361 3.635 413 2HB GLU 54 2HB GLU 54 -6.590 5.519 4.901 414 1HG GLU 54 1HG GLU 54 -8.811 5.944 5.660 415 2HG GLU 54 2HG GLU 54 -7.701 6.961 6.574 416 H CYS 55 H CYS 55 -5.574 7.061 2.085 417 HA CYS 55 HA CYS 55 -2.949 5.825 2.487 418 1HB CYS 55 1HB CYS 55 -4.813 4.647 1.178 419 2HB CYS 55 2HB CYS 55 -4.539 5.847 -0.079 420 HG CYS 55 HG CYS 55 -2.391 3.421 0.999 421 H ARG 56 H ARG 56 -1.682 7.640 2.728 422 HA ARG 56 HA ARG 56 -1.766 9.607 0.554 423 1HB ARG 56 1HB ARG 56 -1.061 9.809 3.448 424 2HB ARG 56 2HB ARG 56 -0.325 10.932 2.308 425 1HG ARG 56 1HG ARG 56 -2.547 11.632 1.564 426 2HG ARG 56 2HG ARG 56 -3.279 10.516 2.717 427 1HD ARG 56 1HD ARG 56 -1.356 12.634 3.605 428 2HD ARG 56 2HD ARG 56 -3.065 12.992 3.373 429 HE ARG 56 HE ARG 56 -3.428 11.085 5.013 430 1HH1 ARG 56 1HH1 ARG 56 -0.540 13.066 5.036 431 2HH1 ARG 56 2HH1 ARG 56 -0.320 12.957 6.758 432 1HH2 ARG 56 1HH2 ARG 56 -3.174 10.964 7.283 433 2HH2 ARG 56 2HH2 ARG 56 -1.829 11.770 8.040 434 H PHE 57 H PHE 57 0.191 10.480 -0.242 435 HA PHE 57 HA PHE 57 2.144 8.419 -0.699 436 1HB PHE 57 1HB PHE 57 1.388 9.858 -2.536 437 2HB PHE 57 2HB PHE 57 1.999 11.276 -1.693 438 HD1 PHE 57 HD1 PHE 57 4.025 12.100 -2.360 439 HD2 PHE 57 HD2 PHE 57 3.229 7.952 -2.866 440 HE1 PHE 57 HE1 PHE 57 6.204 11.821 -3.468 441 HE2 PHE 57 HE2 PHE 57 5.405 7.666 -3.976 442 HZ PHE 57 HZ PHE 57 6.894 9.601 -4.278 443 H CYS 58 H CYS 58 3.542 8.046 0.895 444 HA CYS 58 HA CYS 58 4.505 10.099 2.639 445 1HB CYS 58 1HB CYS 58 4.227 7.743 3.361 446 2HB CYS 58 2HB CYS 58 5.502 7.264 2.246 447 HG CYS 58 HG CYS 58 6.007 7.649 5.248 448 H HIS 59 H HIS 59 6.153 7.986 0.275 449 HA HIS 59 HA HIS 59 7.535 10.028 -1.044 450 1HB HIS 59 1HB HIS 59 9.838 9.659 -0.222 451 2HB HIS 59 2HB HIS 59 8.797 10.337 1.018 452 HD1 HIS 59 HD1 HIS 59 8.795 9.155 3.219 453 HD2 HIS 59 HD2 HIS 59 10.261 6.763 0.142 454 HE1 HIS 59 HE1 HIS 59 9.608 7.037 4.321 455 HE2 HIS 59 HE2 HIS 59 10.494 5.600 2.439 456 H SER 60 H SER 60 9.556 9.049 -2.198 457 HA SER 60 HA SER 60 9.041 6.213 -2.828 458 1HB SER 60 1HB SER 60 10.236 8.313 -4.660 459 2HB SER 60 2HB SER 60 9.893 6.636 -5.079 460 HG SER 60 HG SER 60 8.309 8.529 -5.539 461 H GLU 61 H GLU 61 10.723 4.828 -2.587 462 HA GLU 61 HA GLU 61 13.412 5.962 -2.290 463 1HB GLU 61 1HB GLU 61 13.847 4.400 -0.401 464 2HB GLU 61 2HB GLU 61 12.663 5.643 -0.031 465 1HG GLU 61 1HG GLU 61 10.864 4.006 -0.421 466 2HG GLU 61 2HG GLU 61 12.087 2.766 -0.698 467 H LYS 62 H LYS 62 14.911 3.766 -1.930 468 HA LYS 62 HA LYS 62 14.736 2.566 -4.536 469 1HB LYS 62 1HB LYS 62 16.711 2.166 -2.287 470 2HB LYS 62 2HB LYS 62 16.858 1.439 -3.883 471 1HG LYS 62 1HG LYS 62 16.959 3.656 -4.890 472 2HG LYS 62 2HG LYS 62 16.804 4.390 -3.294 473 1HD LYS 62 1HD LYS 62 18.906 3.344 -2.612 474 2HD LYS 62 2HD LYS 62 19.057 2.604 -4.208 475 1HE LYS 62 1HE LYS 62 20.430 4.591 -4.101 476 2HE LYS 62 2HE LYS 62 19.092 4.855 -5.218 477 1HZ LYS 62 1HZ LYS 62 19.401 5.907 -2.462 478 2HZ LYS 62 2HZ LYS 62 19.266 6.788 -3.905 479 3HZ LYS 62 3HZ LYS 62 17.923 5.952 -3.291 480 H ALA 63 H ALA 63 14.209 0.542 -5.071 481 HA ALA 63 HA ALA 63 12.545 -0.847 -3.156 482 1HB ALA 63 1HB ALA 63 11.827 -0.364 -5.487 483 2HB ALA 63 2HB ALA 63 13.037 -1.513 -6.049 484 3HB ALA 63 3HB ALA 63 11.703 -2.064 -5.034 485 HA PRO 64 HA PRO 64 15.693 -4.010 -2.378 486 1HB PRO 64 1HB PRO 64 13.541 -5.097 -0.694 487 2HB PRO 64 2HB PRO 64 15.184 -4.631 -0.245 488 1HG PRO 64 1HG PRO 64 13.040 -3.198 0.523 489 2HG PRO 64 2HG PRO 64 14.597 -2.436 0.150 490 1HD PRO 64 1HD PRO 64 12.123 -2.618 -1.531 491 2HD PRO 64 2HD PRO 64 13.237 -1.251 -1.308 492 H ASP 65 H ASP 65 15.793 -6.168 -3.074 493 HA ASP 65 HA ASP 65 14.122 -6.808 -5.241 494 1HB ASP 65 1HB ASP 65 16.205 -8.372 -3.735 495 2HB ASP 65 2HB ASP 65 15.336 -9.046 -5.107 496 H GLU 66 H GLU 66 13.621 -7.245 -1.947 497 HA GLU 66 HA GLU 66 12.120 -9.639 -1.945 498 1HB GLU 66 1HB GLU 66 11.819 -7.268 -0.094 499 2HB GLU 66 2HB GLU 66 11.298 -8.916 0.220 500 1HG GLU 66 1HG GLU 66 14.137 -7.959 -0.062 501 2HG GLU 66 2HG GLU 66 13.324 -8.422 1.432 502 H VAL 67 H VAL 67 11.301 -6.277 -2.620 503 HA VAL 67 HA VAL 67 8.456 -6.951 -2.639 504 HB VAL 67 HB VAL 67 8.002 -4.575 -2.745 505 1HG1 VAL 67 1HG1 VAL 67 8.358 -5.553 -0.553 506 2HG1 VAL 67 2HG1 VAL 67 10.089 -5.231 -0.671 507 3HG1 VAL 67 3HG1 VAL 67 8.945 -3.891 -0.590 508 1HG2 VAL 67 1HG2 VAL 67 9.810 -2.916 -2.658 509 2HG2 VAL 67 2HG2 VAL 67 10.995 -4.207 -2.860 510 3HG2 VAL 67 3HG2 VAL 67 9.847 -3.851 -4.152 511 H ILE 68 H ILE 68 10.989 -6.755 -4.837 512 HA ILE 68 HA ILE 68 9.805 -5.492 -7.045 513 HB ILE 68 HB ILE 68 11.802 -7.763 -7.102 514 1HG1 ILE 68 1HG1 ILE 68 12.571 -5.841 -5.751 515 2HG1 ILE 68 2HG1 ILE 68 13.517 -6.029 -7.223 516 1HG2 ILE 68 1HG2 ILE 68 11.119 -5.692 -9.187 517 2HG2 ILE 68 2HG2 ILE 68 12.417 -6.879 -9.305 518 3HG2 ILE 68 3HG2 ILE 68 10.736 -7.411 -9.260 519 1HD1 ILE 68 1HD1 ILE 68 11.330 -4.019 -6.749 520 2HD1 ILE 68 2HD1 ILE 68 13.064 -3.700 -6.802 521 3HD1 ILE 68 3HD1 ILE 68 12.217 -4.221 -8.259 522 H GLU 69 H GLU 69 10.078 -8.991 -6.394 523 HA GLU 69 HA GLU 69 8.418 -9.954 -8.381 524 1HB GLU 69 1HB GLU 69 9.439 -10.922 -5.822 525 2HB GLU 69 2HB GLU 69 7.873 -11.606 -6.224 526 1HG GLU 69 1HG GLU 69 10.205 -11.639 -8.117 527 2HG GLU 69 2HG GLU 69 9.887 -12.923 -6.952 528 H ALA 70 H ALA 70 7.536 -8.736 -5.179 529 HA ALA 70 HA ALA 70 4.848 -9.548 -5.215 530 1HB ALA 70 1HB ALA 70 4.537 -8.001 -3.366 531 2HB ALA 70 2HB ALA 70 6.030 -8.919 -3.174 532 3HB ALA 70 3HB ALA 70 6.090 -7.244 -3.724 533 H ILE 71 H ILE 71 6.302 -6.388 -5.995 534 HA ILE 71 HA ILE 71 3.804 -5.173 -6.648 535 HB ILE 71 HB ILE 71 6.587 -4.286 -7.428 536 1HG1 ILE 71 1HG1 ILE 71 4.903 -3.485 -5.045 537 2HG1 ILE 71 2HG1 ILE 71 6.263 -4.601 -4.981 538 1HG2 ILE 71 1HG2 ILE 71 5.588 -2.056 -7.615 539 2HG2 ILE 71 2HG2 ILE 71 4.840 -3.193 -8.737 540 3HG2 ILE 71 3HG2 ILE 71 4.001 -2.737 -7.254 541 1HD1 ILE 71 1HD1 ILE 71 6.886 -2.382 -4.224 542 2HD1 ILE 71 2HD1 ILE 71 7.762 -2.823 -5.690 543 3HD1 ILE 71 3HD1 ILE 71 6.400 -1.706 -5.778 544 H LYS 72 H LYS 72 6.256 -6.866 -8.474 545 HA LYS 72 HA LYS 72 5.315 -6.106 -11.053 546 1HB LYS 72 1HB LYS 72 7.608 -6.863 -10.643 547 2HB LYS 72 2HB LYS 72 7.006 -8.441 -10.167 548 1HG LYS 72 1HG LYS 72 6.082 -8.687 -12.481 549 2HG LYS 72 2HG LYS 72 6.944 -7.204 -12.902 550 1HD LYS 72 1HD LYS 72 8.273 -9.146 -13.510 551 2HD LYS 72 2HD LYS 72 9.058 -8.255 -12.202 552 1HE LYS 72 1HE LYS 72 8.104 -9.839 -10.580 553 2HE LYS 72 2HE LYS 72 7.377 -10.742 -11.907 554 1HZ LYS 72 1HZ LYS 72 9.643 -11.113 -12.771 555 2HZ LYS 72 2HZ LYS 72 10.273 -10.365 -11.381 556 3HZ LYS 72 3HZ LYS 72 9.386 -11.803 -11.241 557 H GLN 73 H GLN 73 4.754 -8.842 -8.917 558 HA GLN 73 HA GLN 73 3.161 -10.242 -10.888 559 1HB GLN 73 1HB GLN 73 4.664 -11.482 -9.412 560 2HB GLN 73 2HB GLN 73 3.790 -10.895 -8.005 561 1HG GLN 73 1HG GLN 73 1.785 -12.085 -8.780 562 2HG GLN 73 2HG GLN 73 2.709 -12.710 -10.147 563 1HE2 GLN 73 2HE2 GLN 73 4.304 -14.252 -9.791 564 2HE2 GLN 73 1HE2 GLN 73 4.403 -15.146 -8.313 565 H ASN 74 H ASN 74 2.557 -9.073 -7.563 566 HA ASN 74 HA ASN 74 -0.303 -9.392 -8.016 567 1HB ASN 74 1HB ASN 74 1.296 -8.725 -5.540 568 2HB ASN 74 2HB ASN 74 -0.464 -8.757 -5.574 569 1HD2 ASN 74 2HD2 ASN 74 2.437 -10.644 -5.639 570 2HD2 ASN 74 1HD2 ASN 74 1.683 -12.188 -5.446 571 H GLY 75 H GLY 75 2.085 -6.887 -7.716 572 1HA GLY 75 1HA GLY 75 1.723 -4.745 -8.692 573 2HA GLY 75 2HA GLY 75 0.002 -4.931 -8.389 574 H TYR 76 H TYR 76 1.327 -6.006 -5.649 575 HA TYR 76 HA TYR 76 1.876 -3.472 -4.386 576 1HB TYR 76 1HB TYR 76 -0.018 -3.636 -2.795 577 2HB TYR 76 2HB TYR 76 -0.559 -3.394 -4.452 578 HD1 TYR 76 HD1 TYR 76 -0.460 -5.721 -1.632 579 HD2 TYR 76 HD2 TYR 76 -1.712 -5.183 -5.658 580 HE1 TYR 76 HE1 TYR 76 -1.908 -7.695 -1.436 581 HE2 TYR 76 HE2 TYR 76 -3.165 -7.158 -5.474 582 HH TYR 76 HH TYR 76 -3.871 -8.650 -2.479 583 H PHE 77 H PHE 77 2.705 -3.680 -2.293 584 HA PHE 77 HA PHE 77 2.797 -6.363 -1.126 585 1HB PHE 77 1HB PHE 77 4.965 -6.016 -2.255 586 2HB PHE 77 2HB PHE 77 5.192 -4.518 -1.358 587 HD1 PHE 77 HD1 PHE 77 6.028 -4.530 0.857 588 HD2 PHE 77 HD2 PHE 77 4.956 -8.189 -1.037 589 HE1 PHE 77 HE1 PHE 77 7.108 -5.786 2.676 590 HE2 PHE 77 HE2 PHE 77 6.033 -9.449 0.780 591 HZ PHE 77 HZ PHE 77 7.111 -8.249 2.638 592 H ILE 78 H ILE 78 1.744 -6.147 0.739 593 HA ILE 78 HA ILE 78 1.784 -3.589 2.129 594 HB ILE 78 HB ILE 78 0.095 -6.058 2.422 595 1HG1 ILE 78 1HG1 ILE 78 -1.743 -4.365 2.309 596 2HG1 ILE 78 2HG1 ILE 78 -0.525 -3.118 2.082 597 1HG2 ILE 78 1HG2 ILE 78 0.753 -5.508 4.694 598 2HG2 ILE 78 2HG2 ILE 78 0.275 -3.829 4.445 599 3HG2 ILE 78 3HG2 ILE 78 -0.944 -5.105 4.431 600 1HD1 ILE 78 1HD1 ILE 78 0.159 -4.160 -0.006 601 2HD1 ILE 78 2HD1 ILE 78 -1.052 -5.421 0.224 602 3HD1 ILE 78 3HD1 ILE 78 -1.556 -3.748 -0.017 603 H TYR 79 H TYR 79 3.430 -3.234 3.421 604 HA TYR 79 HA TYR 79 4.516 -5.433 5.015 605 1HB TYR 79 1HB TYR 79 6.167 -4.003 3.928 606 2HB TYR 79 2HB TYR 79 5.454 -2.574 4.669 607 HD1 TYR 79 HD1 TYR 79 6.335 -1.766 6.652 608 HD2 TYR 79 HD2 TYR 79 7.038 -5.826 5.591 609 HE1 TYR 79 HE1 TYR 79 7.835 -2.005 8.585 610 HE2 TYR 79 HE2 TYR 79 8.538 -6.078 7.523 611 HH TYR 79 HH TYR 79 8.704 -3.777 10.029 612 H LYS 80 H LYS 80 3.651 -5.811 6.915 613 HA LYS 80 HA LYS 80 1.895 -3.957 8.202 614 1HB LYS 80 1HB LYS 80 3.114 -6.490 9.321 615 2HB LYS 80 2HB LYS 80 1.692 -5.654 9.930 616 1HG LYS 80 1HG LYS 80 0.417 -6.245 8.014 617 2HG LYS 80 2HG LYS 80 1.849 -6.831 7.165 618 1HD LYS 80 1HD LYS 80 0.654 -8.735 7.965 619 2HD LYS 80 2HD LYS 80 2.103 -8.561 8.953 620 1HE LYS 80 1HE LYS 80 0.503 -7.174 10.499 621 2HE LYS 80 2HE LYS 80 -0.754 -8.082 9.657 622 1HZ LYS 80 1HZ LYS 80 1.522 -9.233 11.187 623 2HZ LYS 80 2HZ LYS 80 -0.110 -9.227 11.664 624 3HZ LYS 80 3HZ LYS 80 0.383 -10.139 10.321 625 H MET 81 H MET 81 3.279 -2.134 8.429 626 HA MET 81 HA MET 81 5.755 -2.106 9.713 627 1HB MET 81 1HB MET 81 4.844 -0.239 8.365 628 2HB MET 81 2HB MET 81 3.694 0.104 9.651 629 1HG MET 81 1HG MET 81 5.835 0.284 11.126 630 2HG MET 81 2HG MET 81 6.640 0.536 9.579 631 1HE MET 81 1HE MET 81 4.660 3.693 8.244 632 2HE MET 81 2HE MET 81 4.228 2.002 7.989 633 3HE MET 81 3HE MET 81 5.913 2.511 7.869 634 H GLU 82 H GLU 82 2.886 -0.602 11.139 635 HA GLU 82 HA GLU 82 3.389 -1.960 13.674 636 1HB GLU 82 1HB GLU 82 4.721 0.193 13.584 637 2HB GLU 82 2HB GLU 82 3.190 1.051 13.510 638 1HG GLU 82 1HG GLU 82 4.061 1.046 15.761 639 2HG GLU 82 2HG GLU 82 2.563 0.117 15.678 640 H GLY 83 H GLY 83 1.304 -0.826 11.358 641 1HA GLY 83 1HA GLY 83 -0.879 0.114 12.877 642 2HA GLY 83 2HA GLY 83 -0.953 -0.480 11.225 643 H CYS 84 H CYS 84 0.109 -3.115 11.951 644 HA CYS 84 HA CYS 84 -2.336 -4.154 13.202 645 1HB CYS 84 1HB CYS 84 -0.413 -5.709 11.467 646 2HB CYS 84 2HB CYS 84 -2.041 -6.173 11.955 647 HG CYS 84 HG CYS 84 -3.139 -3.911 10.484 648 H ASN 85 H ASN 85 0.415 -6.180 12.747 649 HA ASN 85 HA ASN 85 1.294 -5.880 15.515 650 1HB ASN 85 1HB ASN 85 0.362 -8.458 14.238 651 2HB ASN 85 2HB ASN 85 1.415 -8.431 15.645 652 1HD2 ASN 85 2HD2 ASN 85 0.220 -6.211 16.958 653 2HD2 ASN 85 1HD2 ASN 85 -1.341 -6.722 17.503 Start of MODEL 8 1 H MET 1 H MET 1 14.592 -0.098 -10.705 2 HA MET 1 HA MET 1 12.332 0.519 -10.174 3 1HB MET 1 1HB MET 1 13.419 -1.789 -9.630 4 2HB MET 1 2HB MET 1 13.290 -1.274 -7.955 5 1HG MET 1 1HG MET 1 10.984 -1.485 -9.875 6 2HG MET 1 2HG MET 1 11.430 -2.710 -8.693 7 1HE MET 1 1HE MET 1 8.957 -2.693 -7.731 8 2HE MET 1 2HE MET 1 8.507 -1.478 -8.927 9 3HE MET 1 3HE MET 1 8.114 -1.228 -7.226 10 H GLN 2 H GLN 2 11.271 2.100 -9.208 11 HA GLN 2 HA GLN 2 12.162 3.002 -6.552 12 1HB GLN 2 1HB GLN 2 10.894 4.536 -8.824 13 2HB GLN 2 2HB GLN 2 11.070 5.186 -7.200 14 1HG GLN 2 1HG GLN 2 13.405 4.171 -8.783 15 2HG GLN 2 2HG GLN 2 12.830 5.834 -8.900 16 1HE2 GLN 2 2HE2 GLN 2 15.370 4.709 -7.897 17 2HE2 GLN 2 1HE2 GLN 2 15.542 5.318 -6.283 18 H ILE 3 H ILE 3 10.844 2.286 -5.035 19 HA ILE 3 HA ILE 3 8.094 1.627 -5.641 20 HB ILE 3 HB ILE 3 8.049 1.140 -3.101 21 1HG1 ILE 3 1HG1 ILE 3 11.037 1.225 -3.579 22 2HG1 ILE 3 2HG1 ILE 3 10.131 2.344 -2.568 23 1HG2 ILE 3 1HG2 ILE 3 9.163 -1.066 -3.516 24 2HG2 ILE 3 2HG2 ILE 3 7.921 -0.605 -4.682 25 3HG2 ILE 3 3HG2 ILE 3 9.625 -0.445 -5.101 26 1HD1 ILE 3 1HD1 ILE 3 10.439 -0.611 -2.094 27 2HD1 ILE 3 2HD1 ILE 3 11.273 0.681 -1.229 28 3HD1 ILE 3 3HD1 ILE 3 9.524 0.507 -1.081 29 H HIS 4 H HIS 4 6.418 2.857 -5.328 30 HA HIS 4 HA HIS 4 6.720 5.385 -3.912 31 1HB HIS 4 1HB HIS 4 4.321 4.280 -5.401 32 2HB HIS 4 2HB HIS 4 4.498 5.920 -4.787 33 HD1 HIS 4 HD1 HIS 4 6.796 7.150 -5.878 34 HD2 HIS 4 HD2 HIS 4 4.943 4.097 -8.014 35 HE1 HIS 4 HE1 HIS 4 7.544 7.435 -8.262 36 HE2 HIS 4 HE2 HIS 4 6.564 5.469 -9.500 37 H VAL 5 H VAL 5 6.532 5.258 -1.805 38 HA VAL 5 HA VAL 5 5.056 3.078 -0.580 39 HB VAL 5 HB VAL 5 6.620 5.281 0.777 40 1HG1 VAL 5 1HG1 VAL 5 5.733 2.567 1.745 41 2HG1 VAL 5 2HG1 VAL 5 6.735 3.701 2.649 42 3HG1 VAL 5 3HG1 VAL 5 5.070 4.121 2.246 43 1HG2 VAL 5 1HG2 VAL 5 8.477 3.691 0.907 44 2HG2 VAL 5 2HG2 VAL 5 7.560 2.541 -0.066 45 3HG2 VAL 5 3HG2 VAL 5 8.072 4.078 -0.766 46 H TYR 6 H TYR 6 2.951 3.347 -0.312 47 HA TYR 6 HA TYR 6 1.913 6.016 0.215 48 1HB TYR 6 1HB TYR 6 0.638 3.419 -0.576 49 2HB TYR 6 2HB TYR 6 -0.335 4.729 0.091 50 HD1 TYR 6 HD1 TYR 6 -0.712 6.756 -1.153 51 HD2 TYR 6 HD2 TYR 6 1.740 3.672 -2.753 52 HE1 TYR 6 HE1 TYR 6 -0.803 7.841 -3.356 53 HE2 TYR 6 HE2 TYR 6 1.657 4.747 -4.964 54 HH TYR 6 HH TYR 6 0.319 7.922 -5.409 55 H ASP 7 H ASP 7 1.811 6.697 2.154 56 HA ASP 7 HA ASP 7 2.014 5.019 4.463 57 1HB ASP 7 1HB ASP 7 3.066 7.248 4.359 58 2HB ASP 7 2HB ASP 7 1.482 7.992 4.189 59 H THR 8 H THR 8 0.208 3.760 4.753 60 HA THR 8 HA THR 8 -2.388 5.100 4.459 61 HB THR 8 HB THR 8 -1.859 2.130 4.377 62 HG1 THR 8 HG1 THR 8 -0.834 3.423 2.655 63 1HG2 THR 8 1HG2 THR 8 -4.219 3.797 3.489 64 2HG2 THR 8 2HG2 THR 8 -4.059 2.053 3.286 65 3HG2 THR 8 3HG2 THR 8 -4.168 2.746 4.904 66 H TYR 9 H TYR 9 -3.481 5.543 6.210 67 HA TYR 9 HA TYR 9 -3.183 3.845 8.595 68 1HB TYR 9 1HB TYR 9 -4.235 6.652 8.221 69 2HB TYR 9 2HB TYR 9 -4.524 5.735 9.693 70 HD1 TYR 9 HD1 TYR 9 -2.645 5.166 11.183 71 HD2 TYR 9 HD2 TYR 9 -2.093 7.628 7.759 72 HE1 TYR 9 HE1 TYR 9 -0.501 5.947 12.097 73 HE2 TYR 9 HE2 TYR 9 0.054 8.411 8.664 74 HH TYR 9 HH TYR 9 1.171 8.627 10.807 75 H VAL 10 H VAL 10 -4.667 2.294 8.760 76 HA VAL 10 HA VAL 10 -7.309 2.770 7.546 77 HB VAL 10 HB VAL 10 -5.904 0.171 8.192 78 1HG1 VAL 10 1HG1 VAL 10 -7.850 -0.944 7.187 79 2HG1 VAL 10 2HG1 VAL 10 -8.280 -0.068 8.656 80 3HG1 VAL 10 3HG1 VAL 10 -8.673 0.610 7.075 81 1HG2 VAL 10 1HG2 VAL 10 -6.760 1.396 5.573 82 2HG2 VAL 10 2HG2 VAL 10 -5.106 1.281 6.174 83 3HG2 VAL 10 3HG2 VAL 10 -6.003 -0.183 5.771 84 H LYS 11 H LYS 11 -8.773 3.382 8.944 85 HA LYS 11 HA LYS 11 -8.418 2.902 11.767 86 1HB LYS 11 1HB LYS 11 -10.630 4.364 10.307 87 2HB LYS 11 2HB LYS 11 -10.422 4.318 12.050 88 1HG LYS 11 1HG LYS 11 -9.570 6.390 11.401 89 2HG LYS 11 2HG LYS 11 -8.143 5.382 11.643 90 1HD LYS 11 1HD LYS 11 -7.990 5.007 9.235 91 2HD LYS 11 2HD LYS 11 -9.445 5.973 8.984 92 1HE LYS 11 1HE LYS 11 -6.863 6.980 10.176 93 2HE LYS 11 2HE LYS 11 -7.381 7.228 8.508 94 1HZ LYS 11 1HZ LYS 11 -7.922 9.167 9.728 95 2HZ LYS 11 2HZ LYS 11 -9.380 8.364 9.427 96 3HZ LYS 11 3HZ LYS 11 -8.667 8.283 10.968 97 H ALA 12 H ALA 12 -8.639 0.603 11.686 98 HA ALA 12 HA ALA 12 -11.229 -0.507 11.039 99 1HB ALA 12 1HB ALA 12 -10.246 -2.637 11.743 100 2HB ALA 12 2HB ALA 12 -9.208 -1.802 10.586 101 3HB ALA 12 3HB ALA 12 -8.806 -1.788 12.303 102 H LYS 13 H LYS 13 -12.861 -0.783 12.431 103 HA LYS 13 HA LYS 13 -12.781 0.521 14.928 104 1HB LYS 13 1HB LYS 13 -15.059 -0.376 15.262 105 2HB LYS 13 2HB LYS 13 -14.848 0.376 13.689 106 1HG LYS 13 1HG LYS 13 -14.678 -1.791 12.633 107 2HG LYS 13 2HG LYS 13 -14.762 -2.590 14.204 108 1HD LYS 13 1HD LYS 13 -16.934 -0.839 13.054 109 2HD LYS 13 2HD LYS 13 -16.918 -2.601 12.968 110 1HE LYS 13 1HE LYS 13 -16.844 -1.018 15.533 111 2HE LYS 13 2HE LYS 13 -18.313 -1.681 14.818 112 1HZ LYS 13 1HZ LYS 13 -17.522 -3.876 15.133 113 2HZ LYS 13 2HZ LYS 13 -15.968 -3.351 15.549 114 3HZ LYS 13 3HZ LYS 13 -17.267 -3.065 16.599 115 H ASP 14 H ASP 14 -12.316 -2.829 14.031 116 HA ASP 14 HA ASP 14 -12.052 -3.488 16.897 117 1HB ASP 14 1HB ASP 14 -12.592 -5.398 14.616 118 2HB ASP 14 2HB ASP 14 -12.538 -5.802 16.329 119 H GLY 15 H GLY 15 -10.473 -3.269 13.877 120 1HA GLY 15 1HA GLY 15 -8.322 -5.070 14.696 121 2HA GLY 15 2HA GLY 15 -8.546 -4.388 13.093 122 H HIS 16 H HIS 16 -8.948 -1.985 15.407 123 HA HIS 16 HA HIS 16 -7.648 -0.312 16.262 124 1HB HIS 16 1HB HIS 16 -6.201 -2.154 17.092 125 2HB HIS 16 2HB HIS 16 -5.326 -2.140 15.572 126 HD1 HIS 16 HD1 HIS 16 -5.386 -0.660 18.906 127 HD2 HIS 16 HD2 HIS 16 -3.692 0.240 15.216 128 HE1 HIS 16 HE1 HIS 16 -3.548 0.987 19.387 129 HE2 HIS 16 HE2 HIS 16 -2.413 1.360 17.166 130 H VAL 17 H VAL 17 -6.396 1.531 15.468 131 HA VAL 17 HA VAL 17 -6.602 1.956 12.672 132 HB VAL 17 HB VAL 17 -4.953 3.512 14.682 133 1HG1 VAL 17 1HG1 VAL 17 -5.067 5.336 13.047 134 2HG1 VAL 17 2HG1 VAL 17 -4.234 3.928 12.388 135 3HG1 VAL 17 3HG1 VAL 17 -5.899 4.270 11.916 136 1HG2 VAL 17 1HG2 VAL 17 -6.858 5.065 14.711 137 2HG2 VAL 17 2HG2 VAL 17 -7.758 3.971 13.661 138 3HG2 VAL 17 3HG2 VAL 17 -7.309 3.462 15.289 139 H MET 18 H MET 18 -5.490 0.664 11.363 140 HA MET 18 HA MET 18 -2.876 -0.317 12.111 141 1HB MET 18 1HB MET 18 -4.597 -0.860 9.688 142 2HB MET 18 2HB MET 18 -3.057 -1.643 10.011 143 1HG MET 18 1HG MET 18 -3.983 -2.573 12.085 144 2HG MET 18 2HG MET 18 -5.535 -1.825 11.711 145 1HE MET 18 1HE MET 18 -7.051 -2.519 9.643 146 2HE MET 18 2HE MET 18 -6.576 -3.723 8.446 147 3HE MET 18 3HE MET 18 -5.697 -2.198 8.561 148 H HIS 19 H HIS 19 -1.016 0.478 11.487 149 HA HIS 19 HA HIS 19 -0.941 2.262 9.142 150 1HB HIS 19 1HB HIS 19 -0.305 3.305 11.331 151 2HB HIS 19 2HB HIS 19 1.004 2.138 11.463 152 HD1 HIS 19 HD1 HIS 19 2.870 3.884 11.394 153 HD2 HIS 19 HD2 HIS 19 0.338 4.032 8.089 154 HE1 HIS 19 HE1 HIS 19 3.967 5.443 9.758 155 HE2 HIS 19 HE2 HIS 19 2.366 5.627 7.826 156 H PHE 20 H PHE 20 0.238 1.589 7.439 157 HA PHE 20 HA PHE 20 2.337 -0.358 7.742 158 1HB PHE 20 1HB PHE 20 1.280 -1.968 6.140 159 2HB PHE 20 2HB PHE 20 0.504 -1.894 7.715 160 HD1 PHE 20 HD1 PHE 20 0.157 -1.195 4.149 161 HD2 PHE 20 HD2 PHE 20 -1.718 -0.965 7.963 162 HE1 PHE 20 HE1 PHE 20 -2.014 -0.821 3.058 163 HE2 PHE 20 HE2 PHE 20 -3.891 -0.587 6.876 164 HZ PHE 20 HZ PHE 20 -4.041 -0.517 4.420 165 H ASP 21 H ASP 21 3.417 -0.825 5.687 166 HA ASP 21 HA ASP 21 3.450 1.597 4.042 167 1HB ASP 21 1HB ASP 21 5.409 -0.704 4.255 168 2HB ASP 21 2HB ASP 21 5.598 0.655 3.158 169 H VAL 22 H VAL 22 2.311 1.568 2.223 170 HA VAL 22 HA VAL 22 1.874 -0.958 0.816 171 HB VAL 22 HB VAL 22 0.797 1.796 0.173 172 1HG1 VAL 22 1HG1 VAL 22 -0.758 0.628 -1.308 173 2HG1 VAL 22 2HG1 VAL 22 0.914 0.340 -1.785 174 3HG1 VAL 22 3HG1 VAL 22 0.018 -0.908 -0.917 175 1HG2 VAL 22 1HG2 VAL 22 -1.323 0.981 1.081 176 2HG2 VAL 22 2HG2 VAL 22 -0.542 -0.533 1.541 177 3HG2 VAL 22 3HG2 VAL 22 -0.053 0.980 2.305 178 H PHE 23 H PHE 23 3.656 -1.509 -0.303 179 HA PHE 23 HA PHE 23 5.145 0.544 -1.750 180 1HB PHE 23 1HB PHE 23 5.690 -2.416 -1.454 181 2HB PHE 23 2HB PHE 23 6.759 -1.254 -2.223 182 HD1 PHE 23 HD1 PHE 23 6.029 -2.970 0.736 183 HD2 PHE 23 HD2 PHE 23 7.488 0.757 -0.697 184 HE1 PHE 23 HE1 PHE 23 7.139 -2.582 2.896 185 HE2 PHE 23 HE2 PHE 23 8.600 1.155 1.461 186 HZ PHE 23 HZ PHE 23 8.430 -0.518 3.259 187 H THR 24 H THR 24 4.422 1.065 -3.723 188 HA THR 24 HA THR 24 3.985 -1.146 -5.583 189 HB THR 24 HB THR 24 1.728 -0.480 -4.879 190 HG1 THR 24 HG1 THR 24 1.695 -1.149 -6.949 191 1HG2 THR 24 1HG2 THR 24 2.162 1.840 -4.267 192 2HG2 THR 24 2HG2 THR 24 2.473 2.241 -5.956 193 3HG2 THR 24 3HG2 THR 24 0.858 1.748 -5.452 194 H ASP 25 H ASP 25 4.291 -0.576 -7.804 195 HA ASP 25 HA ASP 25 6.236 1.561 -8.129 196 1HB ASP 25 1HB ASP 25 6.617 0.571 -10.348 197 2HB ASP 25 2HB ASP 25 6.722 -0.649 -9.083 198 H VAL 26 H VAL 26 2.926 1.107 -8.496 199 HA VAL 26 HA VAL 26 2.673 3.056 -10.666 200 HB VAL 26 HB VAL 26 0.456 1.555 -9.268 201 1HG1 VAL 26 1HG1 VAL 26 -0.816 2.077 -11.307 202 2HG1 VAL 26 2HG1 VAL 26 -0.286 3.530 -10.461 203 3HG1 VAL 26 3HG1 VAL 26 0.560 2.998 -11.913 204 1HG2 VAL 26 1HG2 VAL 26 1.928 0.799 -11.791 205 2HG2 VAL 26 2HG2 VAL 26 1.990 -0.056 -10.249 206 3HG2 VAL 26 3HG2 VAL 26 0.485 0.003 -11.165 207 H ARG 27 H ARG 27 2.770 5.125 -9.977 208 HA ARG 27 HA ARG 27 1.701 5.830 -7.368 209 1HB ARG 27 1HB ARG 27 3.804 6.880 -8.156 210 2HB ARG 27 2HB ARG 27 2.916 7.620 -9.485 211 1HG ARG 27 1HG ARG 27 1.519 8.815 -7.835 212 2HG ARG 27 2HG ARG 27 2.509 8.133 -6.547 213 1HD ARG 27 1HD ARG 27 4.474 9.254 -7.446 214 2HD ARG 27 2HD ARG 27 3.510 9.907 -8.772 215 HE ARG 27 HE ARG 27 2.607 10.559 -6.082 216 1HH1 ARG 27 1HH1 ARG 27 4.404 11.580 -8.921 217 2HH1 ARG 27 2HH1 ARG 27 4.317 13.266 -8.514 218 1HH2 ARG 27 1HH2 ARG 27 2.535 12.770 -5.540 219 2HH2 ARG 27 2HH2 ARG 27 3.284 13.942 -6.588 220 H ASP 28 H ASP 28 -0.472 5.367 -7.684 221 HA ASP 28 HA ASP 28 -1.897 7.395 -9.245 222 1HB ASP 28 1HB ASP 28 -1.823 5.302 -10.578 223 2HB ASP 28 2HB ASP 28 -2.608 4.457 -9.253 224 H ASP 29 H ASP 29 -3.485 8.316 -8.153 225 HA ASP 29 HA ASP 29 -3.712 8.001 -5.395 226 1HB ASP 29 1HB ASP 29 -4.261 10.044 -6.721 227 2HB ASP 29 2HB ASP 29 -5.744 9.254 -7.244 228 H LYS 30 H LYS 30 -5.697 6.660 -7.993 229 HA LYS 30 HA LYS 30 -7.670 5.682 -6.113 230 1HB LYS 30 1HB LYS 30 -7.536 6.086 -8.978 231 2HB LYS 30 2HB LYS 30 -8.190 4.503 -8.580 232 1HG LYS 30 1HG LYS 30 -9.875 5.527 -7.165 233 2HG LYS 30 2HG LYS 30 -9.201 7.123 -7.496 234 1HD LYS 30 1HD LYS 30 -9.770 6.925 -9.833 235 2HD LYS 30 2HD LYS 30 -10.316 5.264 -9.591 236 1HE LYS 30 1HE LYS 30 -12.161 6.930 -9.721 237 2HE LYS 30 2HE LYS 30 -12.143 5.994 -8.228 238 1HZ LYS 30 1HZ LYS 30 -11.273 7.811 -7.036 239 2HZ LYS 30 2HZ LYS 30 -10.915 8.682 -8.450 240 3HZ LYS 30 3HZ LYS 30 -12.526 8.447 -7.982 241 H LYS 31 H LYS 31 -5.113 4.330 -8.159 242 HA LYS 31 HA LYS 31 -5.746 1.626 -7.610 243 1HB LYS 31 1HB LYS 31 -3.245 2.962 -8.587 244 2HB LYS 31 2HB LYS 31 -3.287 1.238 -8.261 245 1HG LYS 31 1HG LYS 31 -5.034 2.721 -10.216 246 2HG LYS 31 2HG LYS 31 -3.676 1.659 -10.608 247 1HD LYS 31 1HD LYS 31 -4.851 -0.218 -9.553 248 2HD LYS 31 2HD LYS 31 -6.213 0.844 -9.188 249 1HE LYS 31 1HE LYS 31 -6.521 1.231 -11.600 250 2HE LYS 31 2HE LYS 31 -5.192 0.118 -11.931 251 1HZ LYS 31 1HZ LYS 31 -7.784 -0.537 -10.638 252 2HZ LYS 31 2HZ LYS 31 -7.254 -1.041 -12.167 253 3HZ LYS 31 3HZ LYS 31 -6.485 -1.623 -10.771 254 H ALA 32 H ALA 32 -3.700 3.959 -5.941 255 HA ALA 32 HA ALA 32 -2.446 2.233 -4.136 256 1HB ALA 32 1HB ALA 32 -2.202 4.192 -2.689 257 2HB ALA 32 2HB ALA 32 -1.837 4.584 -4.370 258 3HB ALA 32 3HB ALA 32 -3.382 5.063 -3.670 259 H ILE 33 H ILE 33 -5.507 3.991 -3.834 260 HA ILE 33 HA ILE 33 -6.290 2.926 -1.352 261 HB ILE 33 HB ILE 33 -7.964 3.997 -3.627 262 1HG1 ILE 33 1HG1 ILE 33 -7.038 5.303 -1.057 263 2HG1 ILE 33 2HG1 ILE 33 -6.335 5.587 -2.644 264 1HG2 ILE 33 1HG2 ILE 33 -9.760 4.251 -2.002 265 2HG2 ILE 33 2HG2 ILE 33 -9.287 2.559 -2.161 266 3HG2 ILE 33 3HG2 ILE 33 -8.759 3.493 -0.763 267 1HD1 ILE 33 1HD1 ILE 33 -8.439 6.523 -3.422 268 2HD1 ILE 33 2HD1 ILE 33 -9.165 6.213 -1.844 269 3HD1 ILE 33 3HD1 ILE 33 -7.848 7.375 -1.995 270 H GLU 34 H GLU 34 -6.980 1.936 -4.678 271 HA GLU 34 HA GLU 34 -8.760 -0.134 -4.189 272 1HB GLU 34 1HB GLU 34 -8.176 0.799 -6.432 273 2HB GLU 34 2HB GLU 34 -6.647 -0.059 -6.354 274 1HG GLU 34 1HG GLU 34 -8.152 -1.305 -7.716 275 2HG GLU 34 2HG GLU 34 -7.904 -2.188 -6.211 276 H PHE 35 H PHE 35 -5.204 -0.276 -4.428 277 HA PHE 35 HA PHE 35 -4.988 -3.053 -4.034 278 1HB PHE 35 1HB PHE 35 -3.010 -0.844 -3.450 279 2HB PHE 35 2HB PHE 35 -2.620 -2.556 -3.369 280 HD1 PHE 35 HD1 PHE 35 -4.278 -3.379 -5.808 281 HD2 PHE 35 HD2 PHE 35 -1.483 -0.239 -5.145 282 HE1 PHE 35 HE1 PHE 35 -3.720 -3.374 -8.204 283 HE2 PHE 35 HE2 PHE 35 -0.924 -0.225 -7.541 284 HZ PHE 35 HZ PHE 35 -2.044 -1.794 -9.073 285 H ALA 36 H ALA 36 -4.986 -0.357 -1.758 286 HA ALA 36 HA ALA 36 -4.354 -1.850 0.549 287 1HB ALA 36 1HB ALA 36 -4.177 0.593 0.454 288 2HB ALA 36 2HB ALA 36 -5.934 0.712 0.339 289 3HB ALA 36 3HB ALA 36 -5.189 0.069 1.801 290 H LYS 37 H LYS 37 -7.455 -0.979 -0.949 291 HA LYS 37 HA LYS 37 -8.959 -2.196 1.167 292 1HB LYS 37 1HB LYS 37 -9.828 -1.185 -1.537 293 2HB LYS 37 2HB LYS 37 -10.927 -1.797 -0.306 294 1HG LYS 37 1HG LYS 37 -9.743 0.003 1.195 295 2HG LYS 37 2HG LYS 37 -9.366 0.734 -0.368 296 1HD LYS 37 1HD LYS 37 -11.423 1.677 0.429 297 2HD LYS 37 2HD LYS 37 -11.789 0.617 -0.934 298 1HE LYS 37 1HE LYS 37 -12.334 -1.184 0.711 299 2HE LYS 37 2HE LYS 37 -12.136 0.003 2.000 300 1HZ LYS 37 1HZ LYS 37 -14.454 -0.235 1.406 301 2HZ LYS 37 2HZ LYS 37 -13.908 1.317 0.995 302 3HZ LYS 37 3HZ LYS 37 -14.110 0.144 -0.214 303 H GLN 38 H GLN 38 -7.651 -3.307 -1.874 304 HA GLN 38 HA GLN 38 -9.153 -5.681 -2.084 305 1HB GLN 38 1HB GLN 38 -6.315 -5.056 -2.907 306 2HB GLN 38 2HB GLN 38 -7.073 -6.610 -3.222 307 1HG GLN 38 1HG GLN 38 -8.861 -5.398 -4.468 308 2HG GLN 38 2HG GLN 38 -7.919 -3.923 -4.271 309 1HE2 GLN 38 2HE2 GLN 38 -6.503 -7.085 -4.800 310 2HE2 GLN 38 1HE2 GLN 38 -5.902 -6.748 -6.385 311 H TRP 39 H TRP 39 -6.235 -4.876 -0.270 312 HA TRP 39 HA TRP 39 -5.893 -7.425 0.911 313 1HB TRP 39 1HB TRP 39 -4.088 -5.780 0.890 314 2HB TRP 39 2HB TRP 39 -5.043 -4.687 1.887 315 HD1 TRP 39 HD1 TRP 39 -3.658 -8.312 2.208 316 HE1 TRP 39 HE1 TRP 39 -2.883 -8.648 4.644 317 HE3 TRP 39 HE3 TRP 39 -4.955 -3.741 4.100 318 HZ2 TRP 39 HZ2 TRP 39 -2.821 -7.156 7.039 319 HZ3 TRP 39 HZ3 TRP 39 -4.499 -3.275 6.472 320 HH2 TRP 39 HH2 TRP 39 -3.455 -4.949 7.910 321 H LEU 40 H LEU 40 -7.585 -4.488 1.965 322 HA LEU 40 HA LEU 40 -8.452 -5.376 4.461 323 1HB LEU 40 1HB LEU 40 -9.808 -3.512 2.517 324 2HB LEU 40 2HB LEU 40 -10.318 -3.740 4.178 325 HG LEU 40 HG LEU 40 -7.662 -2.619 3.284 326 1HD1 LEU 40 1HD1 LEU 40 -10.034 -1.307 4.604 327 2HD1 LEU 40 2HD1 LEU 40 -8.494 -0.531 4.235 328 3HD1 LEU 40 3HD1 LEU 40 -9.534 -1.095 2.927 329 1HD2 LEU 40 1HD2 LEU 40 -8.795 -2.989 6.055 330 2HD2 LEU 40 2HD2 LEU 40 -7.452 -3.893 5.356 331 3HD2 LEU 40 3HD2 LEU 40 -7.289 -2.163 5.658 332 H SER 41 H SER 41 -9.913 -5.820 1.270 333 HA SER 41 HA SER 41 -12.251 -7.117 2.239 334 1HB SER 41 1HB SER 41 -11.010 -7.295 -0.518 335 2HB SER 41 2HB SER 41 -12.681 -7.666 -0.090 336 HG SER 41 HG SER 41 -11.381 -5.168 -0.231 337 H SER 42 H SER 42 -9.023 -8.171 1.603 338 HA SER 42 HA SER 42 -9.698 -10.962 1.344 339 1HB SER 42 1HB SER 42 -6.998 -9.650 1.751 340 2HB SER 42 2HB SER 42 -7.279 -11.318 1.254 341 HG SER 42 HG SER 42 -7.924 -8.949 -0.180 342 H ILE 43 H ILE 43 -8.735 -8.781 3.908 343 HA ILE 43 HA ILE 43 -8.382 -11.008 5.765 344 HB ILE 43 HB ILE 43 -7.746 -9.304 7.423 345 1HG1 ILE 43 1HG1 ILE 43 -8.104 -7.333 5.154 346 2HG1 ILE 43 2HG1 ILE 43 -9.159 -7.464 6.558 347 1HG2 ILE 43 1HG2 ILE 43 -6.302 -9.105 4.784 348 2HG2 ILE 43 2HG2 ILE 43 -5.643 -8.618 6.346 349 3HG2 ILE 43 3HG2 ILE 43 -6.034 -10.311 6.043 350 1HD1 ILE 43 1HD1 ILE 43 -7.610 -5.612 6.784 351 2HD1 ILE 43 2HD1 ILE 43 -7.301 -6.842 8.010 352 3HD1 ILE 43 3HD1 ILE 43 -6.244 -6.714 6.604 353 H GLY 44 H GLY 44 -10.926 -9.354 4.559 354 1HA GLY 44 1HA GLY 44 -13.148 -9.522 5.159 355 2HA GLY 44 2HA GLY 44 -12.651 -10.332 6.634 356 H GLU 45 H GLU 45 -11.265 -7.243 5.869 357 HA GLU 45 HA GLU 45 -12.457 -6.093 8.227 358 1HB GLU 45 1HB GLU 45 -10.076 -5.686 7.147 359 2HB GLU 45 2HB GLU 45 -10.931 -4.457 6.235 360 1HG GLU 45 1HG GLU 45 -10.708 -4.629 9.228 361 2HG GLU 45 2HG GLU 45 -9.869 -3.494 8.176 362 H GLU 46 H GLU 46 -12.231 -4.557 5.047 363 HA GLU 46 HA GLU 46 -13.751 -3.743 3.574 364 1HB GLU 46 1HB GLU 46 -15.707 -5.595 4.930 365 2HB GLU 46 2HB GLU 46 -15.810 -4.953 3.296 366 1HG GLU 46 1HG GLU 46 -13.974 -6.266 2.573 367 2HG GLU 46 2HG GLU 46 -13.580 -6.739 4.226 368 H GLY 47 H GLY 47 -13.671 -2.663 6.502 369 1HA GLY 47 1HA GLY 47 -16.344 -1.404 6.452 370 2HA GLY 47 2HA GLY 47 -15.436 -1.723 7.921 371 H ALA 48 H ALA 48 -12.927 -0.818 7.086 372 HA ALA 48 HA ALA 48 -13.225 1.947 7.644 373 1HB ALA 48 1HB ALA 48 -10.780 0.450 6.721 374 2HB ALA 48 2HB ALA 48 -10.803 2.053 7.455 375 3HB ALA 48 3HB ALA 48 -11.299 0.646 8.395 376 H THR 49 H THR 49 -13.867 3.427 6.265 377 HA THR 49 HA THR 49 -13.641 3.166 3.431 378 HB THR 49 HB THR 49 -14.319 5.620 5.071 379 HG1 THR 49 HG1 THR 49 -16.153 3.852 3.802 380 1HG2 THR 49 1HG2 THR 49 -13.735 6.156 2.758 381 2HG2 THR 49 2HG2 THR 49 -14.880 4.945 2.177 382 3HG2 THR 49 3HG2 THR 49 -15.465 6.375 3.028 383 H VAL 50 H VAL 50 -11.769 3.386 2.405 384 HA VAL 50 HA VAL 50 -9.701 5.095 3.582 385 HB VAL 50 HB VAL 50 -9.445 2.975 1.439 386 1HG1 VAL 50 1HG1 VAL 50 -7.034 3.221 1.756 387 2HG1 VAL 50 2HG1 VAL 50 -7.764 4.729 1.203 388 3HG1 VAL 50 3HG1 VAL 50 -7.313 4.535 2.897 389 1HG2 VAL 50 1HG2 VAL 50 -9.986 2.029 3.624 390 2HG2 VAL 50 2HG2 VAL 50 -8.327 1.649 3.159 391 3HG2 VAL 50 3HG2 VAL 50 -8.641 2.915 4.346 392 H THR 51 H THR 51 -9.796 7.114 2.835 393 HA THR 51 HA THR 51 -10.094 7.503 -0.069 394 HB THR 51 HB THR 51 -10.432 9.884 0.435 395 HG1 THR 51 HG1 THR 51 -10.102 9.033 3.150 396 1HG2 THR 51 1HG2 THR 51 -12.396 8.442 0.391 397 2HG2 THR 51 2HG2 THR 51 -12.183 8.074 2.102 398 3HG2 THR 51 3HG2 THR 51 -12.591 9.714 1.597 399 H SER 52 H SER 52 -8.708 9.860 -0.391 400 HA SER 52 HA SER 52 -6.010 8.927 -0.439 401 1HB SER 52 1HB SER 52 -7.096 10.429 -2.161 402 2HB SER 52 2HB SER 52 -6.980 11.739 -0.986 403 HG SER 52 HG SER 52 -5.040 10.587 -2.562 404 H GLU 53 H GLU 53 -7.895 10.462 1.905 405 HA GLU 53 HA GLU 53 -5.718 11.781 3.252 406 1HB GLU 53 1HB GLU 53 -8.598 11.261 3.953 407 2HB GLU 53 2HB GLU 53 -7.474 11.991 5.087 408 1HG GLU 53 1HG GLU 53 -8.243 13.077 2.390 409 2HG GLU 53 2HG GLU 53 -8.754 13.701 3.960 410 H GLU 54 H GLU 54 -7.458 8.732 3.486 411 HA GLU 54 HA GLU 54 -6.034 7.877 5.835 412 1HB GLU 54 1HB GLU 54 -7.804 6.425 3.869 413 2HB GLU 54 2HB GLU 54 -6.955 5.582 5.155 414 1HG GLU 54 1HG GLU 54 -9.195 5.991 5.860 415 2HG GLU 54 2HG GLU 54 -8.117 7.020 6.802 416 H CYS 55 H CYS 55 -5.886 7.175 2.364 417 HA CYS 55 HA CYS 55 -3.327 5.819 2.742 418 1HB CYS 55 1HB CYS 55 -5.169 4.929 1.202 419 2HB CYS 55 2HB CYS 55 -4.772 6.263 0.127 420 HG CYS 55 HG CYS 55 -2.504 3.894 1.104 421 H ARG 56 H ARG 56 -1.941 7.438 3.242 422 HA ARG 56 HA ARG 56 -1.910 9.905 1.697 423 1HB ARG 56 1HB ARG 56 -0.050 9.093 3.935 424 2HB ARG 56 2HB ARG 56 -0.426 10.720 3.384 425 1HG ARG 56 1HG ARG 56 -2.542 10.693 4.372 426 2HG ARG 56 2HG ARG 56 -2.536 8.937 4.545 427 1HD ARG 56 1HD ARG 56 -2.167 9.840 6.703 428 2HD ARG 56 2HD ARG 56 -0.623 9.202 6.145 429 HE ARG 56 HE ARG 56 -1.264 12.072 5.948 430 1HH1 ARG 56 1HH1 ARG 56 0.872 9.465 6.941 431 2HH1 ARG 56 2HH1 ARG 56 2.085 10.551 7.570 432 1HH2 ARG 56 1HH2 ARG 56 0.313 13.475 6.771 433 2HH2 ARG 56 2HH2 ARG 56 1.769 12.834 7.467 434 H PHE 57 H PHE 57 0.298 10.708 0.965 435 HA PHE 57 HA PHE 57 1.791 8.476 -0.208 436 1HB PHE 57 1HB PHE 57 0.968 10.251 -1.750 437 2HB PHE 57 2HB PHE 57 1.970 11.419 -0.894 438 HD1 PHE 57 HD1 PHE 57 4.015 11.912 -1.802 439 HD2 PHE 57 HD2 PHE 57 2.316 8.077 -2.519 440 HE1 PHE 57 HE1 PHE 57 5.932 11.331 -3.231 441 HE2 PHE 57 HE2 PHE 57 4.226 7.493 -3.949 442 HZ PHE 57 HZ PHE 57 6.037 9.119 -4.305 443 H CYS 58 H CYS 58 3.480 7.815 0.909 444 HA CYS 58 HA CYS 58 4.605 9.465 2.983 445 1HB CYS 58 1HB CYS 58 4.184 6.992 3.199 446 2HB CYS 58 2HB CYS 58 5.498 6.727 2.061 447 HG CYS 58 HG CYS 58 5.831 6.565 5.125 448 H HIS 59 H HIS 59 6.130 7.617 0.327 449 HA HIS 59 HA HIS 59 7.571 9.798 -0.721 450 1HB HIS 59 1HB HIS 59 9.850 9.219 0.014 451 2HB HIS 59 2HB HIS 59 8.846 9.706 1.368 452 HD1 HIS 59 HD1 HIS 59 8.751 8.122 3.313 453 HD2 HIS 59 HD2 HIS 59 10.258 6.336 -0.128 454 HE1 HIS 59 HE1 HIS 59 9.513 5.827 4.010 455 HE2 HIS 59 HE2 HIS 59 10.629 4.862 1.960 456 H SER 60 H SER 60 9.593 8.862 -1.988 457 HA SER 60 HA SER 60 8.953 6.175 -3.018 458 1HB SER 60 1HB SER 60 9.810 8.563 -4.682 459 2HB SER 60 2HB SER 60 9.505 6.935 -5.287 460 HG SER 60 HG SER 60 7.769 8.911 -4.986 461 H GLU 61 H GLU 61 10.711 4.835 -3.118 462 HA GLU 61 HA GLU 61 13.375 6.018 -3.110 463 1HB GLU 61 1HB GLU 61 14.127 4.750 -1.172 464 2HB GLU 61 2HB GLU 61 12.810 5.825 -0.731 465 1HG GLU 61 1HG GLU 61 11.254 3.952 -0.768 466 2HG GLU 61 2HG GLU 61 12.562 2.870 -1.247 467 H LYS 62 H LYS 62 15.076 4.238 -3.154 468 HA LYS 62 HA LYS 62 14.499 2.520 -5.350 469 1HB LYS 62 1HB LYS 62 16.719 3.576 -4.901 470 2HB LYS 62 2HB LYS 62 16.909 2.501 -3.524 471 1HG LYS 62 1HG LYS 62 16.983 0.584 -4.931 472 2HG LYS 62 2HG LYS 62 16.525 1.538 -6.344 473 1HD LYS 62 1HD LYS 62 18.618 2.823 -6.120 474 2HD LYS 62 2HD LYS 62 19.080 1.797 -4.761 475 1HE LYS 62 1HE LYS 62 19.131 -0.145 -6.187 476 2HE LYS 62 2HE LYS 62 18.516 0.794 -7.546 477 1HZ LYS 62 1HZ LYS 62 20.539 2.120 -7.492 478 2HZ LYS 62 2HZ LYS 62 21.131 1.204 -6.199 479 3HZ LYS 62 3HZ LYS 62 20.899 0.478 -7.715 480 H ALA 63 H ALA 63 13.763 0.512 -5.338 481 HA ALA 63 HA ALA 63 12.863 -0.570 -2.833 482 1HB ALA 63 1HB ALA 63 11.648 -2.153 -4.169 483 2HB ALA 63 2HB ALA 63 11.475 -0.545 -4.869 484 3HB ALA 63 3HB ALA 63 12.576 -1.712 -5.601 485 HA PRO 64 HA PRO 64 16.100 -3.644 -2.421 486 1HB PRO 64 1HB PRO 64 14.991 -4.978 -0.349 487 2HB PRO 64 2HB PRO 64 15.806 -3.424 -0.142 488 1HG PRO 64 1HG PRO 64 12.883 -4.028 -0.302 489 2HG PRO 64 2HG PRO 64 13.736 -2.891 0.756 490 1HD PRO 64 1HD PRO 64 12.403 -2.141 -1.511 491 2HD PRO 64 2HD PRO 64 13.780 -1.247 -0.839 492 H ASP 65 H ASP 65 16.311 -5.809 -2.987 493 HA ASP 65 HA ASP 65 14.574 -6.826 -4.898 494 1HB ASP 65 1HB ASP 65 16.926 -7.488 -4.705 495 2HB ASP 65 2HB ASP 65 16.569 -8.352 -3.214 496 H GLU 66 H GLU 66 14.507 -7.207 -1.466 497 HA GLU 66 HA GLU 66 13.056 -9.513 -1.071 498 1HB GLU 66 1HB GLU 66 14.042 -8.027 0.690 499 2HB GLU 66 2HB GLU 66 12.696 -6.925 0.451 500 1HG GLU 66 1HG GLU 66 12.208 -8.219 2.364 501 2HG GLU 66 2HG GLU 66 11.163 -8.804 1.069 502 H VAL 67 H VAL 67 11.852 -6.299 -1.970 503 HA VAL 67 HA VAL 67 9.106 -7.314 -1.874 504 HB VAL 67 HB VAL 67 8.378 -4.996 -2.097 505 1HG1 VAL 67 1HG1 VAL 67 9.222 -4.143 0.043 506 2HG1 VAL 67 2HG1 VAL 67 8.803 -5.854 0.132 507 3HG1 VAL 67 3HG1 VAL 67 10.493 -5.364 0.020 508 1HG2 VAL 67 1HG2 VAL 67 10.006 -3.152 -2.052 509 2HG2 VAL 67 2HG2 VAL 67 11.318 -4.321 -2.201 510 3HG2 VAL 67 3HG2 VAL 67 10.154 -4.131 -3.512 511 H ILE 68 H ILE 68 11.580 -6.878 -4.097 512 HA ILE 68 HA ILE 68 10.232 -5.833 -6.334 513 HB ILE 68 HB ILE 68 12.606 -7.703 -6.246 514 1HG1 ILE 68 1HG1 ILE 68 13.005 -5.580 -5.108 515 2HG1 ILE 68 2HG1 ILE 68 13.918 -5.649 -6.611 516 1HG2 ILE 68 1HG2 ILE 68 11.563 -7.815 -8.426 517 2HG2 ILE 68 2HG2 ILE 68 11.532 -6.054 -8.531 518 3HG2 ILE 68 3HG2 ILE 68 13.073 -6.910 -8.532 519 1HD1 ILE 68 1HD1 ILE 68 12.232 -4.250 -7.691 520 2HD1 ILE 68 2HD1 ILE 68 11.333 -4.174 -6.175 521 3HD1 ILE 68 3HD1 ILE 68 12.942 -3.460 -6.283 522 H GLU 69 H GLU 69 10.839 -9.181 -5.349 523 HA GLU 69 HA GLU 69 9.704 -10.410 -7.592 524 1HB GLU 69 1HB GLU 69 9.573 -12.431 -6.141 525 2HB GLU 69 2HB GLU 69 11.147 -11.648 -6.127 526 1HG GLU 69 1HG GLU 69 10.433 -10.513 -3.994 527 2HG GLU 69 2HG GLU 69 9.034 -11.589 -3.993 528 H ALA 70 H ALA 70 8.225 -9.054 -4.756 529 HA ALA 70 HA ALA 70 5.698 -10.392 -5.169 530 1HB ALA 70 1HB ALA 70 6.395 -8.142 -3.288 531 2HB ALA 70 2HB ALA 70 4.927 -9.117 -3.253 532 3HB ALA 70 3HB ALA 70 6.488 -9.861 -2.906 533 H ILE 71 H ILE 71 6.842 -7.014 -5.306 534 HA ILE 71 HA ILE 71 4.374 -5.949 -6.183 535 HB ILE 71 HB ILE 71 7.143 -4.787 -6.554 536 1HG1 ILE 71 1HG1 ILE 71 5.146 -4.324 -4.331 537 2HG1 ILE 71 2HG1 ILE 71 6.559 -5.365 -4.197 538 1HG2 ILE 71 1HG2 ILE 71 4.444 -3.438 -6.534 539 2HG2 ILE 71 2HG2 ILE 71 6.005 -2.632 -6.680 540 3HG2 ILE 71 3HG2 ILE 71 5.448 -3.712 -7.958 541 1HD1 ILE 71 1HD1 ILE 71 8.012 -3.454 -4.564 542 2HD1 ILE 71 2HD1 ILE 71 6.603 -2.407 -4.733 543 3HD1 ILE 71 3HD1 ILE 71 6.941 -3.186 -3.188 544 H LYS 72 H LYS 72 7.138 -7.250 -7.904 545 HA LYS 72 HA LYS 72 6.322 -6.288 -10.471 546 1HB LYS 72 1HB LYS 72 8.671 -6.821 -9.878 547 2HB LYS 72 2HB LYS 72 8.239 -8.519 -9.763 548 1HG LYS 72 1HG LYS 72 7.829 -8.664 -12.091 549 2HG LYS 72 2HG LYS 72 7.904 -6.912 -12.278 550 1HD LYS 72 1HD LYS 72 9.957 -7.958 -13.076 551 2HD LYS 72 2HD LYS 72 10.275 -6.947 -11.666 552 1HE LYS 72 1HE LYS 72 11.500 -9.032 -11.502 553 2HE LYS 72 2HE LYS 72 10.268 -8.946 -10.245 554 1HZ LYS 72 1HZ LYS 72 9.917 -10.399 -12.813 555 2HZ LYS 72 2HZ LYS 72 10.423 -11.130 -11.366 556 3HZ LYS 72 3HZ LYS 72 8.883 -10.428 -11.465 557 H GLN 73 H GLN 73 5.231 -8.768 -8.469 558 HA GLN 73 HA GLN 73 4.237 -10.390 -10.692 559 1HB GLN 73 1HB GLN 73 5.285 -11.614 -8.872 560 2HB GLN 73 2HB GLN 73 4.196 -10.869 -7.708 561 1HG GLN 73 1HG GLN 73 2.300 -11.986 -8.779 562 2HG GLN 73 2HG GLN 73 3.402 -12.740 -9.929 563 1HE2 GLN 73 2HE2 GLN 73 4.792 -14.354 -9.233 564 2HE2 GLN 73 1HE2 GLN 73 4.525 -15.207 -7.743 565 H ASN 74 H ASN 74 2.883 -9.187 -7.616 566 HA ASN 74 HA ASN 74 0.228 -9.248 -8.802 567 1HB ASN 74 1HB ASN 74 -0.407 -8.461 -6.402 568 2HB ASN 74 2HB ASN 74 0.099 -10.125 -6.666 569 1HD2 ASN 74 2HD2 ASN 74 1.927 -10.862 -5.729 570 2HD2 ASN 74 1HD2 ASN 74 2.885 -9.932 -4.632 571 H GLY 75 H GLY 75 2.362 -6.842 -7.267 572 1HA GLY 75 1HA GLY 75 2.476 -4.740 -8.617 573 2HA GLY 75 2HA GLY 75 0.722 -4.788 -8.614 574 H TYR 76 H TYR 76 1.419 -5.842 -5.628 575 HA TYR 76 HA TYR 76 2.028 -3.267 -4.443 576 1HB TYR 76 1HB TYR 76 -0.025 -3.107 -3.144 577 2HB TYR 76 2HB TYR 76 -0.401 -3.117 -4.861 578 HD1 TYR 76 HD1 TYR 76 -1.067 -4.607 -1.695 579 HD2 TYR 76 HD2 TYR 76 -1.170 -5.365 -5.881 580 HE1 TYR 76 HE1 TYR 76 -2.634 -6.461 -1.314 581 HE2 TYR 76 HE2 TYR 76 -2.739 -7.222 -5.511 582 HH TYR 76 HH TYR 76 -3.366 -8.764 -3.692 583 H PHE 77 H PHE 77 3.268 -3.578 -2.730 584 HA PHE 77 HA PHE 77 3.070 -6.157 -1.324 585 1HB PHE 77 1HB PHE 77 5.294 -5.612 -2.310 586 2HB PHE 77 2HB PHE 77 5.363 -4.181 -1.290 587 HD1 PHE 77 HD1 PHE 77 5.423 -7.852 -1.318 588 HD2 PHE 77 HD2 PHE 77 5.919 -4.338 1.028 589 HE1 PHE 77 HE1 PHE 77 6.441 -9.195 0.473 590 HE2 PHE 77 HE2 PHE 77 6.942 -5.674 2.823 591 HZ PHE 77 HZ PHE 77 7.205 -8.107 2.544 592 H ILE 78 H ILE 78 1.924 -6.059 0.475 593 HA ILE 78 HA ILE 78 1.696 -3.523 1.911 594 HB ILE 78 HB ILE 78 0.273 -6.143 2.420 595 1HG1 ILE 78 1HG1 ILE 78 -0.359 -5.177 0.259 596 2HG1 ILE 78 2HG1 ILE 78 -1.687 -5.050 1.408 597 1HG2 ILE 78 1HG2 ILE 78 -1.226 -4.808 3.834 598 2HG2 ILE 78 2HG2 ILE 78 0.435 -4.775 4.426 599 3HG2 ILE 78 3HG2 ILE 78 -0.218 -3.388 3.553 600 1HD1 ILE 78 1HD1 ILE 78 -1.470 -3.029 0.087 601 2HD1 ILE 78 2HD1 ILE 78 -1.130 -2.702 1.786 602 3HD1 ILE 78 3HD1 ILE 78 0.195 -2.835 0.630 603 H TYR 79 H TYR 79 3.265 -3.131 3.320 604 HA TYR 79 HA TYR 79 4.336 -5.361 4.906 605 1HB TYR 79 1HB TYR 79 6.027 -4.035 3.758 606 2HB TYR 79 2HB TYR 79 5.386 -2.556 4.464 607 HD1 TYR 79 HD1 TYR 79 6.165 -1.788 6.528 608 HD2 TYR 79 HD2 TYR 79 7.011 -5.784 5.342 609 HE1 TYR 79 HE1 TYR 79 7.673 -2.031 8.452 610 HE2 TYR 79 HE2 TYR 79 8.524 -6.038 7.265 611 HH TYR 79 HH TYR 79 8.600 -3.838 9.843 612 H LYS 80 H LYS 80 3.189 -5.668 6.724 613 HA LYS 80 HA LYS 80 1.649 -3.581 7.924 614 1HB LYS 80 1HB LYS 80 2.360 -6.247 9.154 615 2HB LYS 80 2HB LYS 80 1.000 -5.210 9.565 616 1HG LYS 80 1HG LYS 80 0.061 -5.603 7.322 617 2HG LYS 80 2HG LYS 80 1.398 -6.702 6.979 618 1HD LYS 80 1HD LYS 80 0.629 -7.885 9.165 619 2HD LYS 80 2HD LYS 80 -0.887 -7.030 8.879 620 1HE LYS 80 1HE LYS 80 -1.091 -9.173 7.871 621 2HE LYS 80 2HE LYS 80 -0.888 -8.001 6.567 622 1HZ LYS 80 1HZ LYS 80 1.223 -9.767 7.685 623 2HZ LYS 80 2HZ LYS 80 0.481 -9.929 6.169 624 3HZ LYS 80 3HZ LYS 80 1.478 -8.594 6.489 625 H MET 81 H MET 81 2.822 -1.930 8.716 626 HA MET 81 HA MET 81 5.256 -2.203 10.151 627 1HB MET 81 1HB MET 81 3.303 0.101 10.264 628 2HB MET 81 2HB MET 81 5.012 0.148 10.666 629 1HG MET 81 1HG MET 81 5.633 -0.125 8.391 630 2HG MET 81 2HG MET 81 3.970 -0.474 7.920 631 1HE MET 81 1HE MET 81 5.455 3.652 9.334 632 2HE MET 81 2HE MET 81 6.496 2.244 9.137 633 3HE MET 81 3HE MET 81 5.284 2.272 10.418 634 H GLU 82 H GLU 82 2.112 -1.007 11.271 635 HA GLU 82 HA GLU 82 2.082 -2.722 13.559 636 1HB GLU 82 1HB GLU 82 2.121 -0.865 15.227 637 2HB GLU 82 2HB GLU 82 3.662 -1.140 14.428 638 1HG GLU 82 1HG GLU 82 3.174 0.757 12.924 639 2HG GLU 82 2HG GLU 82 1.698 1.061 13.839 640 H GLY 83 H GLY 83 0.041 -3.249 13.731 641 1HA GLY 83 1HA GLY 83 -2.002 -1.187 13.800 642 2HA GLY 83 2HA GLY 83 -2.137 -2.340 12.479 643 H CYS 84 H CYS 84 -1.361 -4.669 13.684 644 HA CYS 84 HA CYS 84 -3.714 -5.232 15.262 645 1HB CYS 84 1HB CYS 84 -3.013 -6.773 13.477 646 2HB CYS 84 2HB CYS 84 -1.490 -7.052 14.310 647 HG CYS 84 HG CYS 84 -4.604 -8.028 15.338 648 H ASN 85 H ASN 85 -3.150 -3.973 17.118 649 HA ASN 85 HA ASN 85 -1.732 -5.564 19.060 650 1HB ASN 85 1HB ASN 85 -0.345 -3.672 19.887 651 2HB ASN 85 2HB ASN 85 0.122 -4.217 18.283 652 1HD2 ASN 85 2HD2 ASN 85 -0.113 -2.864 16.554 653 2HD2 ASN 85 1HD2 ASN 85 -0.516 -1.189 16.717 Start of MODEL 9 1 H MET 1 H MET 1 12.150 -2.106 -10.552 2 HA MET 1 HA MET 1 11.123 0.047 -10.691 3 1HB MET 1 1HB MET 1 8.928 -0.587 -9.527 4 2HB MET 1 2HB MET 1 9.550 -1.686 -10.746 5 1HG MET 1 1HG MET 1 8.758 -3.003 -8.960 6 2HG MET 1 2HG MET 1 10.516 -3.056 -8.895 7 1HE MET 1 1HE MET 1 7.835 -0.686 -5.986 8 2HE MET 1 2HE MET 1 7.240 -1.708 -7.294 9 3HE MET 1 3HE MET 1 8.056 -0.188 -7.662 10 H GLN 2 H GLN 2 9.557 1.489 -9.295 11 HA GLN 2 HA GLN 2 11.205 2.393 -7.020 12 1HB GLN 2 1HB GLN 2 9.269 4.016 -8.684 13 2HB GLN 2 2HB GLN 2 10.330 4.626 -7.422 14 1HG GLN 2 1HG GLN 2 12.275 3.960 -8.791 15 2HG GLN 2 2HG GLN 2 11.164 3.478 -10.073 16 1HE2 GLN 2 2HE2 GLN 2 13.225 5.475 -10.183 17 2HE2 GLN 2 1HE2 GLN 2 12.450 6.983 -10.524 18 H ILE 3 H ILE 3 10.332 2.155 -5.064 19 HA ILE 3 HA ILE 3 7.563 1.357 -4.875 20 HB ILE 3 HB ILE 3 8.091 1.282 -2.362 21 1HG1 ILE 3 1HG1 ILE 3 10.918 1.411 -3.439 22 2HG1 ILE 3 2HG1 ILE 3 10.140 2.672 -2.488 23 1HG2 ILE 3 1HG2 ILE 3 9.255 -0.904 -2.632 24 2HG2 ILE 3 2HG2 ILE 3 7.825 -0.709 -3.645 25 3HG2 ILE 3 3HG2 ILE 3 9.432 -0.540 -4.347 26 1HD1 ILE 3 1HD1 ILE 3 11.628 1.325 -1.125 27 2HD1 ILE 3 2HD1 ILE 3 9.954 1.135 -0.604 28 3HD1 ILE 3 3HD1 ILE 3 10.728 -0.129 -1.559 29 H HIS 4 H HIS 4 6.196 3.000 -5.183 30 HA HIS 4 HA HIS 4 6.384 5.496 -3.791 31 1HB HIS 4 1HB HIS 4 4.120 4.071 -5.200 32 2HB HIS 4 2HB HIS 4 3.858 5.571 -4.319 33 HD1 HIS 4 HD1 HIS 4 3.607 7.362 -5.997 34 HD2 HIS 4 HD2 HIS 4 6.642 4.705 -7.014 35 HE1 HIS 4 HE1 HIS 4 4.637 8.283 -8.092 36 HE2 HIS 4 HE2 HIS 4 6.635 6.811 -8.523 37 H VAL 5 H VAL 5 6.405 5.500 -1.640 38 HA VAL 5 HA VAL 5 5.140 3.343 -0.176 39 HB VAL 5 HB VAL 5 6.595 5.724 0.977 40 1HG1 VAL 5 1HG1 VAL 5 6.015 2.981 2.086 41 2HG1 VAL 5 2HG1 VAL 5 6.959 4.233 2.890 42 3HG1 VAL 5 3HG1 VAL 5 5.244 4.491 2.572 43 1HG2 VAL 5 1HG2 VAL 5 8.067 4.604 -0.605 44 2HG2 VAL 5 2HG2 VAL 5 8.594 4.308 1.051 45 3HG2 VAL 5 3HG2 VAL 5 7.734 3.051 0.162 46 H TYR 6 H TYR 6 3.131 3.438 0.473 47 HA TYR 6 HA TYR 6 1.932 6.075 0.995 48 1HB TYR 6 1HB TYR 6 0.635 3.479 0.141 49 2HB TYR 6 2HB TYR 6 -0.263 4.906 0.641 50 HD1 TYR 6 HD1 TYR 6 -0.289 6.914 -0.777 51 HD2 TYR 6 HD2 TYR 6 1.659 3.346 -2.024 52 HE1 TYR 6 HE1 TYR 6 -0.279 7.735 -3.095 53 HE2 TYR 6 HE2 TYR 6 1.682 4.162 -4.341 54 HH TYR 6 HH TYR 6 0.277 5.788 -5.719 55 H ASP 7 H ASP 7 2.120 6.419 3.116 56 HA ASP 7 HA ASP 7 1.844 4.402 5.113 57 1HB ASP 7 1HB ASP 7 1.816 7.421 5.195 58 2HB ASP 7 2HB ASP 7 1.599 6.439 6.632 59 H THR 8 H THR 8 -0.097 3.352 4.802 60 HA THR 8 HA THR 8 -2.521 4.959 4.556 61 HB THR 8 HB THR 8 -2.241 1.957 4.338 62 HG1 THR 8 HG1 THR 8 -0.981 3.190 2.770 63 1HG2 THR 8 1HG2 THR 8 -4.388 3.863 3.391 64 2HG2 THR 8 2HG2 THR 8 -4.352 2.126 3.091 65 3HG2 THR 8 3HG2 THR 8 -4.528 2.733 4.737 66 H TYR 9 H TYR 9 -3.575 5.491 6.314 67 HA TYR 9 HA TYR 9 -3.372 3.796 8.698 68 1HB TYR 9 1HB TYR 9 -4.144 6.683 8.292 69 2HB TYR 9 2HB TYR 9 -4.449 5.841 9.809 70 HD1 TYR 9 HD1 TYR 9 -1.679 6.661 7.437 71 HD2 TYR 9 HD2 TYR 9 -2.815 5.814 11.447 72 HE1 TYR 9 HE1 TYR 9 0.606 7.176 8.187 73 HE2 TYR 9 HE2 TYR 9 -0.536 6.324 12.208 74 HH TYR 9 HH TYR 9 1.855 7.707 10.074 75 H VAL 10 H VAL 10 -4.867 2.218 8.439 76 HA VAL 10 HA VAL 10 -7.618 2.996 7.772 77 HB VAL 10 HB VAL 10 -6.479 0.213 8.073 78 1HG1 VAL 10 1HG1 VAL 10 -9.081 1.188 6.906 79 2HG1 VAL 10 2HG1 VAL 10 -8.506 -0.479 6.872 80 3HG1 VAL 10 3HG1 VAL 10 -8.874 0.294 8.413 81 1HG2 VAL 10 1HG2 VAL 10 -6.470 0.123 5.626 82 2HG2 VAL 10 2HG2 VAL 10 -6.963 1.815 5.565 83 3HG2 VAL 10 3HG2 VAL 10 -5.391 1.378 6.233 84 H LYS 11 H LYS 11 -8.892 3.455 9.439 85 HA LYS 11 HA LYS 11 -8.172 2.548 12.094 86 1HB LYS 11 1HB LYS 11 -10.447 4.330 11.200 87 2HB LYS 11 2HB LYS 11 -9.948 4.051 12.865 88 1HG LYS 11 1HG LYS 11 -7.738 5.025 12.319 89 2HG LYS 11 2HG LYS 11 -8.341 5.400 10.705 90 1HD LYS 11 1HD LYS 11 -8.581 7.393 11.911 91 2HD LYS 11 2HD LYS 11 -10.198 6.692 11.886 92 1HE LYS 11 1HE LYS 11 -8.278 6.302 14.169 93 2HE LYS 11 2HE LYS 11 -9.414 7.646 14.098 94 1HZ LYS 11 1HZ LYS 11 -11.232 6.034 13.998 95 2HZ LYS 11 2HZ LYS 11 -10.123 4.757 14.117 96 3HZ LYS 11 3HZ LYS 11 -10.304 5.841 15.405 97 H ALA 12 H ALA 12 -9.003 0.840 13.064 98 HA ALA 12 HA ALA 12 -10.928 -0.807 11.757 99 1HB ALA 12 1HB ALA 12 -9.110 -1.747 13.097 100 2HB ALA 12 2HB ALA 12 -9.809 -1.026 14.547 101 3HB ALA 12 3HB ALA 12 -10.688 -2.282 13.676 102 H LYS 13 H LYS 13 -12.751 -1.747 13.241 103 HA LYS 13 HA LYS 13 -14.626 0.369 13.406 104 1HB LYS 13 1HB LYS 13 -14.948 -2.475 14.349 105 2HB LYS 13 2HB LYS 13 -16.236 -1.341 13.953 106 1HG LYS 13 1HG LYS 13 -15.364 -1.266 11.626 107 2HG LYS 13 2HG LYS 13 -14.226 -2.539 12.065 108 1HD LYS 13 1HD LYS 13 -16.146 -3.971 12.688 109 2HD LYS 13 2HD LYS 13 -17.232 -2.705 12.106 110 1HE LYS 13 1HE LYS 13 -15.179 -4.202 10.497 111 2HE LYS 13 2HE LYS 13 -16.929 -4.384 10.391 112 1HZ LYS 13 1HZ LYS 13 -16.916 -1.920 9.799 113 2HZ LYS 13 2HZ LYS 13 -15.253 -2.110 9.526 114 3HZ LYS 13 3HZ LYS 13 -16.372 -3.007 8.617 115 H ASP 14 H ASP 14 -13.158 -1.749 15.854 116 HA ASP 14 HA ASP 14 -13.655 0.314 17.869 117 1HB ASP 14 1HB ASP 14 -14.477 -1.395 19.485 118 2HB ASP 14 2HB ASP 14 -15.569 -1.135 18.130 119 H GLY 15 H GLY 15 -11.457 -1.398 16.363 120 1HA GLY 15 1HA GLY 15 -9.959 -2.314 18.701 121 2HA GLY 15 2HA GLY 15 -9.548 -2.627 17.021 122 H HIS 16 H HIS 16 -7.975 -1.480 16.147 123 HA HIS 16 HA HIS 16 -7.258 1.110 17.337 124 1HB HIS 16 1HB HIS 16 -4.830 0.448 17.136 125 2HB HIS 16 2HB HIS 16 -5.728 -0.402 18.388 126 HD1 HIS 16 HD1 HIS 16 -5.544 -2.875 18.367 127 HD2 HIS 16 HD2 HIS 16 -4.527 -1.204 14.696 128 HE1 HIS 16 HE1 HIS 16 -4.756 -4.794 16.943 129 HE2 HIS 16 HE2 HIS 16 -4.266 -3.775 14.688 130 H VAL 17 H VAL 17 -5.118 1.793 15.823 131 HA VAL 17 HA VAL 17 -6.362 2.063 13.190 132 HB VAL 17 HB VAL 17 -3.980 3.533 14.341 133 1HG1 VAL 17 1HG1 VAL 17 -5.607 4.059 11.854 134 2HG1 VAL 17 2HG1 VAL 17 -4.313 5.085 12.474 135 3HG1 VAL 17 3HG1 VAL 17 -3.950 3.455 11.906 136 1HG2 VAL 17 1HG2 VAL 17 -5.515 5.421 14.610 137 2HG2 VAL 17 2HG2 VAL 17 -6.854 4.412 14.063 138 3HG2 VAL 17 3HG2 VAL 17 -6.024 4.034 15.572 139 H MET 18 H MET 18 -5.792 0.650 11.702 140 HA MET 18 HA MET 18 -3.281 -0.785 11.882 141 1HB MET 18 1HB MET 18 -5.523 -0.951 9.856 142 2HB MET 18 2HB MET 18 -4.121 -2.010 9.893 143 1HG MET 18 1HG MET 18 -4.796 -2.821 12.097 144 2HG MET 18 2HG MET 18 -6.206 -1.765 12.049 145 1HE MET 18 1HE MET 18 -4.668 -3.743 9.025 146 2HE MET 18 2HE MET 18 -5.559 -5.263 9.109 147 3HE MET 18 3HE MET 18 -4.414 -4.842 10.382 148 H HIS 19 H HIS 19 -1.609 0.497 11.359 149 HA HIS 19 HA HIS 19 -1.727 1.829 8.745 150 1HB HIS 19 1HB HIS 19 0.184 3.240 9.564 151 2HB HIS 19 2HB HIS 19 -1.336 3.502 10.403 152 HD1 HIS 19 HD1 HIS 19 2.185 2.575 10.953 153 HD2 HIS 19 HD2 HIS 19 -1.385 2.439 13.080 154 HE1 HIS 19 HE1 HIS 19 2.842 2.278 13.360 155 HE2 HIS 19 HE2 HIS 19 0.663 2.026 14.608 156 H PHE 20 H PHE 20 -0.699 0.866 7.207 157 HA PHE 20 HA PHE 20 1.700 -0.705 7.819 158 1HB PHE 20 1HB PHE 20 0.860 -2.393 6.109 159 2HB PHE 20 2HB PHE 20 0.029 -2.380 7.659 160 HD1 PHE 20 HD1 PHE 20 -0.255 -1.728 4.087 161 HD2 PHE 20 HD2 PHE 20 -2.250 -1.532 7.840 162 HE1 PHE 20 HE1 PHE 20 -2.406 -1.451 2.926 163 HE2 PHE 20 HE2 PHE 20 -4.403 -1.252 6.686 164 HZ PHE 20 HZ PHE 20 -4.483 -1.211 4.224 165 H ASP 21 H ASP 21 3.076 -1.084 5.954 166 HA ASP 21 HA ASP 21 3.217 1.322 4.349 167 1HB ASP 21 1HB ASP 21 5.099 -1.046 4.391 168 2HB ASP 21 2HB ASP 21 5.417 0.530 3.682 169 H VAL 22 H VAL 22 2.080 1.407 2.525 170 HA VAL 22 HA VAL 22 1.745 -1.018 0.918 171 HB VAL 22 HB VAL 22 0.530 1.726 0.515 172 1HG1 VAL 22 1HG1 VAL 22 -0.981 0.582 -1.053 173 2HG1 VAL 22 2HG1 VAL 22 0.702 0.497 -1.575 174 3HG1 VAL 22 3HG1 VAL 22 -0.063 -0.909 -0.833 175 1HG2 VAL 22 1HG2 VAL 22 -0.291 0.692 2.552 176 2HG2 VAL 22 2HG2 VAL 22 -1.549 0.696 1.314 177 3HG2 VAL 22 3HG2 VAL 22 -0.667 -0.789 1.669 178 H PHE 23 H PHE 23 3.275 -1.438 -0.503 179 HA PHE 23 HA PHE 23 4.759 0.791 -1.720 180 1HB PHE 23 1HB PHE 23 5.453 -2.150 -1.570 181 2HB PHE 23 2HB PHE 23 6.449 -0.907 -2.316 182 HD1 PHE 23 HD1 PHE 23 7.171 1.054 -0.782 183 HD2 PHE 23 HD2 PHE 23 5.787 -2.710 0.641 184 HE1 PHE 23 HE1 PHE 23 8.288 1.460 1.371 185 HE2 PHE 23 HE2 PHE 23 6.900 -2.308 2.798 186 HZ PHE 23 HZ PHE 23 8.152 -0.221 3.163 187 H THR 24 H THR 24 4.203 1.356 -3.707 188 HA THR 24 HA THR 24 3.433 -0.747 -5.610 189 HB THR 24 HB THR 24 1.767 0.921 -6.592 190 HG1 THR 24 HG1 THR 24 2.147 2.071 -4.012 191 1HG2 THR 24 1HG2 THR 24 1.180 -0.235 -3.864 192 2HG2 THR 24 2HG2 THR 24 -0.023 0.264 -5.054 193 3HG2 THR 24 3HG2 THR 24 1.052 -1.090 -5.401 194 H ASP 25 H ASP 25 4.035 -0.346 -7.758 195 HA ASP 25 HA ASP 25 6.002 1.784 -8.109 196 1HB ASP 25 1HB ASP 25 6.595 -0.471 -8.890 197 2HB ASP 25 2HB ASP 25 5.200 -0.475 -9.960 198 H VAL 26 H VAL 26 2.819 0.860 -9.105 199 HA VAL 26 HA VAL 26 2.516 2.456 -11.382 200 HB VAL 26 HB VAL 26 0.368 1.665 -9.407 201 1HG1 VAL 26 1HG1 VAL 26 -0.341 3.411 -10.962 202 2HG1 VAL 26 2HG1 VAL 26 0.178 2.415 -12.322 203 3HG1 VAL 26 3HG1 VAL 26 -1.158 1.885 -11.301 204 1HG2 VAL 26 1HG2 VAL 26 1.389 0.207 -11.844 205 2HG2 VAL 26 2HG2 VAL 26 1.593 -0.293 -10.164 206 3HG2 VAL 26 3HG2 VAL 26 -0.016 -0.260 -10.886 207 H ARG 27 H ARG 27 2.426 4.580 -11.617 208 HA ARG 27 HA ARG 27 2.258 6.331 -9.336 209 1HB ARG 27 1HB ARG 27 2.466 6.848 -12.302 210 2HB ARG 27 2HB ARG 27 2.284 8.142 -11.132 211 1HG ARG 27 1HG ARG 27 4.572 8.027 -11.634 212 2HG ARG 27 2HG ARG 27 4.393 7.291 -10.042 213 1HD ARG 27 1HD ARG 27 4.710 5.126 -10.892 214 2HD ARG 27 2HD ARG 27 4.421 5.645 -12.554 215 HE ARG 27 HE ARG 27 6.594 7.056 -11.979 216 1HH1 ARG 27 1HH1 ARG 27 5.901 3.703 -11.241 217 2HH1 ARG 27 2HH1 ARG 27 7.549 3.190 -11.429 218 1HH2 ARG 27 1HH2 ARG 27 8.767 6.381 -12.218 219 2HH2 ARG 27 2HH2 ARG 27 9.173 4.705 -11.969 220 H ASP 28 H ASP 28 0.148 5.714 -8.588 221 HA ASP 28 HA ASP 28 -1.962 7.313 -9.716 222 1HB ASP 28 1HB ASP 28 -1.951 5.194 -11.104 223 2HB ASP 28 2HB ASP 28 -2.364 4.316 -9.636 224 H ASP 29 H ASP 29 -3.353 7.918 -8.148 225 HA ASP 29 HA ASP 29 -2.812 7.076 -5.450 226 1HB ASP 29 1HB ASP 29 -4.968 8.916 -6.518 227 2HB ASP 29 2HB ASP 29 -4.596 8.674 -4.816 228 H LYS 30 H LYS 30 -5.371 6.590 -7.808 229 HA LYS 30 HA LYS 30 -7.230 5.359 -6.077 230 1HB LYS 30 1HB LYS 30 -8.021 6.194 -8.173 231 2HB LYS 30 2HB LYS 30 -6.857 5.231 -9.070 232 1HG LYS 30 1HG LYS 30 -8.028 3.184 -8.338 233 2HG LYS 30 2HG LYS 30 -9.226 4.193 -7.523 234 1HD LYS 30 1HD LYS 30 -10.010 5.082 -9.562 235 2HD LYS 30 2HD LYS 30 -8.609 4.484 -10.451 236 1HE LYS 30 1HE LYS 30 -10.515 3.111 -10.965 237 2HE LYS 30 2HE LYS 30 -9.364 2.173 -10.020 238 1HZ LYS 30 1HZ LYS 30 -11.630 1.811 -9.282 239 2HZ LYS 30 2HZ LYS 30 -10.728 2.546 -8.056 240 3HZ LYS 30 3HZ LYS 30 -11.827 3.464 -8.966 241 H LYS 31 H LYS 31 -4.711 4.055 -8.207 242 HA LYS 31 HA LYS 31 -5.186 1.343 -7.796 243 1HB LYS 31 1HB LYS 31 -2.710 2.899 -8.458 244 2HB LYS 31 2HB LYS 31 -2.620 1.164 -8.191 245 1HG LYS 31 1HG LYS 31 -4.264 2.581 -10.277 246 2HG LYS 31 2HG LYS 31 -2.812 1.615 -10.546 247 1HD LYS 31 1HD LYS 31 -4.030 -0.343 -9.583 248 2HD LYS 31 2HD LYS 31 -5.486 0.651 -9.543 249 1HE LYS 31 1HE LYS 31 -3.902 -0.161 -11.973 250 2HE LYS 31 2HE LYS 31 -5.513 -0.717 -11.522 251 1HZ LYS 31 1HZ LYS 31 -4.710 1.978 -12.449 252 2HZ LYS 31 2HZ LYS 31 -5.815 0.914 -13.163 253 3HZ LYS 31 3HZ LYS 31 -6.201 1.685 -11.703 254 H ALA 32 H ALA 32 -3.229 3.583 -5.869 255 HA ALA 32 HA ALA 32 -2.130 1.737 -4.085 256 1HB ALA 32 1HB ALA 32 -2.946 4.585 -3.512 257 2HB ALA 32 2HB ALA 32 -1.806 3.617 -2.576 258 3HB ALA 32 3HB ALA 32 -1.418 4.079 -4.232 259 H ILE 33 H ILE 33 -5.093 3.669 -3.767 260 HA ILE 33 HA ILE 33 -5.970 2.529 -1.342 261 HB ILE 33 HB ILE 33 -7.593 3.798 -3.555 262 1HG1 ILE 33 1HG1 ILE 33 -6.518 5.000 -0.994 263 2HG1 ILE 33 2HG1 ILE 33 -5.808 5.239 -2.587 264 1HG2 ILE 33 1HG2 ILE 33 -9.310 4.149 -1.865 265 2HG2 ILE 33 2HG2 ILE 33 -8.962 2.430 -2.067 266 3HG2 ILE 33 3HG2 ILE 33 -8.323 3.304 -0.673 267 1HD1 ILE 33 1HD1 ILE 33 -8.569 6.089 -1.739 268 2HD1 ILE 33 2HD1 ILE 33 -7.165 7.140 -1.927 269 3HD1 ILE 33 3HD1 ILE 33 -7.857 6.333 -3.334 270 H GLU 34 H GLU 34 -6.642 1.774 -4.712 271 HA GLU 34 HA GLU 34 -8.622 -0.141 -4.473 272 1HB GLU 34 1HB GLU 34 -7.604 0.892 -6.585 273 2HB GLU 34 2HB GLU 34 -6.335 -0.313 -6.438 274 1HG GLU 34 1HG GLU 34 -7.743 -1.336 -7.909 275 2HG GLU 34 2HG GLU 34 -8.331 -1.988 -6.380 276 H PHE 35 H PHE 35 -5.105 -0.595 -4.549 277 HA PHE 35 HA PHE 35 -5.218 -3.420 -4.282 278 1HB PHE 35 1HB PHE 35 -2.950 -1.472 -3.845 279 2HB PHE 35 2HB PHE 35 -2.764 -3.222 -3.821 280 HD1 PHE 35 HD1 PHE 35 -4.718 -3.806 -6.086 281 HD2 PHE 35 HD2 PHE 35 -1.544 -1.001 -5.685 282 HE1 PHE 35 HE1 PHE 35 -4.399 -3.826 -8.525 283 HE2 PHE 35 HE2 PHE 35 -1.218 -1.016 -8.123 284 HZ PHE 35 HZ PHE 35 -2.647 -2.431 -9.545 285 H ALA 36 H ALA 36 -4.737 -0.782 -1.991 286 HA ALA 36 HA ALA 36 -4.171 -2.358 0.269 287 1HB ALA 36 1HB ALA 36 -5.517 0.341 0.155 288 2HB ALA 36 2HB ALA 36 -4.766 -0.388 1.576 289 3HB ALA 36 3HB ALA 36 -3.775 0.059 0.188 290 H LYS 37 H LYS 37 -7.230 -1.102 -1.024 291 HA LYS 37 HA LYS 37 -8.821 -2.131 1.080 292 1HB LYS 37 1HB LYS 37 -9.316 -0.846 -1.522 293 2HB LYS 37 2HB LYS 37 -10.603 -1.900 -0.943 294 1HG LYS 37 1HG LYS 37 -10.623 -0.678 1.173 295 2HG LYS 37 2HG LYS 37 -9.387 0.411 0.549 296 1HD LYS 37 1HD LYS 37 -10.860 1.260 -1.117 297 2HD LYS 37 2HD LYS 37 -12.057 0.005 -0.787 298 1HE LYS 37 1HE LYS 37 -11.198 2.029 1.268 299 2HE LYS 37 2HE LYS 37 -12.548 2.300 0.166 300 1HZ LYS 37 1HZ LYS 37 -13.753 0.544 1.107 301 2HZ LYS 37 2HZ LYS 37 -12.403 -0.092 1.912 302 3HZ LYS 37 3HZ LYS 37 -13.097 1.363 2.437 303 H GLN 38 H GLN 38 -7.815 -3.468 -2.007 304 HA GLN 38 HA GLN 38 -9.438 -5.757 -1.990 305 1HB GLN 38 1HB GLN 38 -6.647 -5.353 -3.071 306 2HB GLN 38 2HB GLN 38 -7.574 -6.828 -3.322 307 1HG GLN 38 1HG GLN 38 -9.333 -5.483 -4.423 308 2HG GLN 38 2HG GLN 38 -8.305 -4.060 -4.256 309 1HE2 GLN 38 2HE2 GLN 38 -7.087 -7.260 -4.958 310 2HE2 GLN 38 1HE2 GLN 38 -6.590 -6.926 -6.578 311 H TRP 39 H TRP 39 -6.370 -5.085 -0.390 312 HA TRP 39 HA TRP 39 -6.079 -7.679 0.758 313 1HB TRP 39 1HB TRP 39 -4.177 -6.141 0.490 314 2HB TRP 39 2HB TRP 39 -4.924 -5.008 1.610 315 HD1 TRP 39 HD1 TRP 39 -3.435 -8.580 1.602 316 HE1 TRP 39 HE1 TRP 39 -2.482 -9.049 3.946 317 HE3 TRP 39 HE3 TRP 39 -4.920 -4.293 3.964 318 HZ2 TRP 39 HZ2 TRP 39 -2.366 -7.773 6.456 319 HZ3 TRP 39 HZ3 TRP 39 -4.344 -3.999 6.337 320 HH2 TRP 39 HH2 TRP 39 -3.095 -5.702 7.556 321 H LEU 40 H LEU 40 -7.354 -4.592 1.905 322 HA LEU 40 HA LEU 40 -7.963 -5.387 4.529 323 1HB LEU 40 1HB LEU 40 -9.133 -3.225 2.787 324 2HB LEU 40 2HB LEU 40 -9.469 -3.390 4.502 325 HG LEU 40 HG LEU 40 -6.665 -3.064 3.454 326 1HD1 LEU 40 1HD1 LEU 40 -8.564 -0.891 4.327 327 2HD1 LEU 40 2HD1 LEU 40 -6.849 -0.686 3.968 328 3HD1 LEU 40 3HD1 LEU 40 -7.968 -1.152 2.687 329 1HD2 LEU 40 1HD2 LEU 40 -6.234 -2.299 5.735 330 2HD2 LEU 40 2HD2 LEU 40 -7.930 -2.559 6.147 331 3HD2 LEU 40 3HD2 LEU 40 -6.905 -3.930 5.723 332 H SER 41 H SER 41 -9.807 -5.674 1.540 333 HA SER 41 HA SER 41 -12.201 -6.507 2.890 334 1HB SER 41 1HB SER 41 -12.892 -7.212 0.538 335 2HB SER 41 2HB SER 41 -12.536 -5.500 0.766 336 HG SER 41 HG SER 41 -10.771 -5.682 -0.417 337 H SER 42 H SER 42 -9.364 -8.065 1.593 338 HA SER 42 HA SER 42 -10.357 -10.711 1.572 339 1HB SER 42 1HB SER 42 -7.523 -9.690 1.873 340 2HB SER 42 2HB SER 42 -7.959 -11.373 1.571 341 HG SER 42 HG SER 42 -8.418 -9.130 -0.119 342 H ILE 43 H ILE 43 -8.799 -8.745 4.064 343 HA ILE 43 HA ILE 43 -8.746 -10.922 5.954 344 HB ILE 43 HB ILE 43 -7.919 -9.320 7.573 345 1HG1 ILE 43 1HG1 ILE 43 -8.475 -7.223 5.460 346 2HG1 ILE 43 2HG1 ILE 43 -9.325 -7.398 6.991 347 1HG2 ILE 43 1HG2 ILE 43 -6.322 -10.252 6.021 348 2HG2 ILE 43 2HG2 ILE 43 -6.670 -8.978 4.852 349 3HG2 ILE 43 3HG2 ILE 43 -5.891 -8.580 6.383 350 1HD1 ILE 43 1HD1 ILE 43 -7.716 -5.583 7.068 351 2HD1 ILE 43 2HD1 ILE 43 -7.274 -6.867 8.192 352 3HD1 ILE 43 3HD1 ILE 43 -6.415 -6.705 6.661 353 H GLY 44 H GLY 44 -11.180 -9.029 4.789 354 1HA GLY 44 1HA GLY 44 -13.418 -9.165 5.386 355 2HA GLY 44 2HA GLY 44 -12.941 -9.931 6.891 356 H GLU 45 H GLU 45 -11.786 -6.804 5.704 357 HA GLU 45 HA GLU 45 -13.258 -5.546 7.932 358 1HB GLU 45 1HB GLU 45 -10.584 -5.577 7.687 359 2HB GLU 45 2HB GLU 45 -10.924 -4.169 6.693 360 1HG GLU 45 1HG GLU 45 -11.706 -4.541 9.575 361 2HG GLU 45 2HG GLU 45 -10.399 -3.531 8.968 362 H GLU 46 H GLU 46 -12.338 -5.369 4.572 363 HA GLU 46 HA GLU 46 -13.226 -4.296 2.772 364 1HB GLU 46 1HB GLU 46 -15.068 -2.983 4.767 365 2HB GLU 46 2HB GLU 46 -15.078 -2.614 3.048 366 1HG GLU 46 1HG GLU 46 -15.685 -4.886 2.521 367 2HG GLU 46 2HG GLU 46 -15.563 -5.342 4.220 368 H GLY 47 H GLY 47 -12.145 -2.629 5.612 369 1HA GLY 47 1HA GLY 47 -10.123 -1.415 5.495 370 2HA GLY 47 2HA GLY 47 -10.464 -1.053 3.813 371 H ALA 48 H ALA 48 -13.153 -0.597 5.811 372 HA ALA 48 HA ALA 48 -14.303 1.271 6.432 373 1HB ALA 48 1HB ALA 48 -12.623 1.178 8.202 374 2HB ALA 48 2HB ALA 48 -11.528 2.162 7.229 375 3HB ALA 48 3HB ALA 48 -13.043 2.848 7.819 376 H THR 49 H THR 49 -13.252 3.999 6.478 377 HA THR 49 HA THR 49 -13.559 4.634 3.658 378 HB THR 49 HB THR 49 -13.310 6.523 6.009 379 HG1 THR 49 HG1 THR 49 -15.231 4.893 5.707 380 1HG2 THR 49 1HG2 THR 49 -12.821 7.553 3.840 381 2HG2 THR 49 2HG2 THR 49 -14.351 6.951 3.204 382 3HG2 THR 49 3HG2 THR 49 -14.345 8.152 4.497 383 H VAL 50 H VAL 50 -11.716 4.457 2.524 384 HA VAL 50 HA VAL 50 -9.331 5.811 3.589 385 HB VAL 50 HB VAL 50 -9.426 3.303 1.896 386 1HG1 VAL 50 1HG1 VAL 50 -7.658 4.775 1.076 387 2HG1 VAL 50 2HG1 VAL 50 -7.027 4.945 2.714 388 3HG1 VAL 50 3HG1 VAL 50 -6.975 3.378 1.907 389 1HG2 VAL 50 1HG2 VAL 50 -8.294 3.856 4.637 390 2HG2 VAL 50 2HG2 VAL 50 -9.744 2.918 4.276 391 3HG2 VAL 50 3HG2 VAL 50 -8.162 2.329 3.764 392 H THR 51 H THR 51 -9.247 7.678 2.566 393 HA THR 51 HA THR 51 -9.426 7.649 -0.380 394 HB THR 51 HB THR 51 -9.450 10.255 1.039 395 HG1 THR 51 HG1 THR 51 -10.909 9.417 2.410 396 1HG2 THR 51 1HG2 THR 51 -11.179 10.757 -0.631 397 2HG2 THR 51 2HG2 THR 51 -9.740 10.085 -1.396 398 3HG2 THR 51 3HG2 THR 51 -11.164 9.074 -1.157 399 H SER 52 H SER 52 -8.037 10.075 -0.806 400 HA SER 52 HA SER 52 -5.344 9.203 -0.602 401 1HB SER 52 1HB SER 52 -6.317 11.986 -1.287 402 2HB SER 52 2HB SER 52 -4.800 11.226 -1.776 403 HG SER 52 HG SER 52 -6.354 11.164 -3.459 404 H GLU 53 H GLU 53 -7.358 10.593 1.648 405 HA GLU 53 HA GLU 53 -5.392 12.170 3.035 406 1HB GLU 53 1HB GLU 53 -8.093 11.225 4.000 407 2HB GLU 53 2HB GLU 53 -7.138 12.545 4.645 408 1HG GLU 53 1HG GLU 53 -8.530 12.435 1.991 409 2HG GLU 53 2HG GLU 53 -8.920 13.463 3.369 410 H GLU 54 H GLU 54 -7.155 9.140 3.581 411 HA GLU 54 HA GLU 54 -5.730 8.445 5.944 412 1HB GLU 54 1HB GLU 54 -7.413 6.777 4.064 413 2HB GLU 54 2HB GLU 54 -6.759 6.184 5.582 414 1HG GLU 54 1HG GLU 54 -9.073 6.788 5.852 415 2HG GLU 54 2HG GLU 54 -8.054 7.874 6.793 416 H CYS 55 H CYS 55 -5.395 7.682 2.536 417 HA CYS 55 HA CYS 55 -3.037 6.051 3.057 418 1HB CYS 55 1HB CYS 55 -4.802 5.451 1.321 419 2HB CYS 55 2HB CYS 55 -4.215 6.815 0.377 420 HG CYS 55 HG CYS 55 -2.408 4.037 1.232 421 H ARG 56 H ARG 56 -1.399 7.373 3.681 422 HA ARG 56 HA ARG 56 -1.082 9.992 2.461 423 1HB ARG 56 1HB ARG 56 0.512 8.613 4.623 424 2HB ARG 56 2HB ARG 56 0.726 10.280 4.114 425 1HG ARG 56 1HG ARG 56 -1.510 10.822 4.901 426 2HG ARG 56 2HG ARG 56 -1.756 9.138 5.381 427 1HD ARG 56 1HD ARG 56 0.109 9.298 6.939 428 2HD ARG 56 2HD ARG 56 0.402 10.962 6.440 429 HE ARG 56 HE ARG 56 -2.262 10.594 7.407 430 1HH1 ARG 56 1HH1 ARG 56 1.070 10.963 8.415 431 2HH1 ARG 56 2HH1 ARG 56 0.669 11.699 9.940 432 1HH2 ARG 56 1HH2 ARG 56 -2.806 11.568 9.411 433 2HH2 ARG 56 2HH2 ARG 56 -1.540 12.023 10.518 434 H PHE 57 H PHE 57 -0.028 10.104 0.567 435 HA PHE 57 HA PHE 57 2.131 8.306 -0.073 436 1HB PHE 57 1HB PHE 57 0.786 9.193 -1.895 437 2HB PHE 57 2HB PHE 57 1.180 10.844 -1.425 438 HD1 PHE 57 HD1 PHE 57 2.963 7.679 -2.285 439 HD2 PHE 57 HD2 PHE 57 2.791 11.915 -2.655 440 HE1 PHE 57 HE1 PHE 57 4.936 7.626 -3.752 441 HE2 PHE 57 HE2 PHE 57 4.765 11.869 -4.123 442 HZ PHE 57 HZ PHE 57 5.838 9.723 -4.672 443 H CYS 58 H CYS 58 4.094 8.489 0.793 444 HA CYS 58 HA CYS 58 4.889 11.110 1.819 445 1HB CYS 58 1HB CYS 58 6.706 9.774 2.984 446 2HB CYS 58 2HB CYS 58 5.053 9.476 3.507 447 HG CYS 58 HG CYS 58 5.285 6.946 3.336 448 H HIS 59 H HIS 59 6.432 8.395 0.037 449 HA HIS 59 HA HIS 59 7.650 10.241 -1.782 450 1HB HIS 59 1HB HIS 59 9.984 9.814 -1.203 451 2HB HIS 59 2HB HIS 59 9.140 10.562 0.142 452 HD1 HIS 59 HD1 HIS 59 9.077 9.286 2.340 453 HD2 HIS 59 HD2 HIS 59 10.649 7.063 -0.809 454 HE1 HIS 59 HE1 HIS 59 10.042 7.205 3.383 455 HE2 HIS 59 HE2 HIS 59 11.133 5.953 1.476 456 H SER 60 H SER 60 9.487 9.016 -3.015 457 HA SER 60 HA SER 60 8.735 6.204 -3.450 458 1HB SER 60 1HB SER 60 9.291 8.171 -5.689 459 2HB SER 60 2HB SER 60 8.744 6.501 -5.845 460 HG SER 60 HG SER 60 7.291 8.743 -5.525 461 H GLU 61 H GLU 61 10.535 4.962 -3.300 462 HA GLU 61 HA GLU 61 13.105 6.228 -3.951 463 1HB GLU 61 1HB GLU 61 14.127 5.129 -1.997 464 2HB GLU 61 2HB GLU 61 12.889 6.289 -1.542 465 1HG GLU 61 1HG GLU 61 11.305 4.455 -1.198 466 2HG GLU 61 2HG GLU 61 12.563 3.298 -1.631 467 H LYS 62 H LYS 62 14.890 4.613 -4.139 468 HA LYS 62 HA LYS 62 14.220 2.596 -5.999 469 1HB LYS 62 1HB LYS 62 16.414 3.828 -5.836 470 2HB LYS 62 2HB LYS 62 16.789 2.851 -4.425 471 1HG LYS 62 1HG LYS 62 16.002 1.256 -6.725 472 2HG LYS 62 2HG LYS 62 17.422 2.256 -7.027 473 1HD LYS 62 1HD LYS 62 18.463 1.337 -4.987 474 2HD LYS 62 2HD LYS 62 17.058 0.291 -4.767 475 1HE LYS 62 1HE LYS 62 17.509 -0.835 -6.844 476 2HE LYS 62 2HE LYS 62 18.815 0.290 -7.215 477 1HZ LYS 62 1HZ LYS 62 20.041 -0.541 -5.318 478 2HZ LYS 62 2HZ LYS 62 18.776 -1.602 -4.924 479 3HZ LYS 62 3HZ LYS 62 19.648 -1.819 -6.363 480 H ALA 63 H ALA 63 13.329 0.725 -5.595 481 HA ALA 63 HA ALA 63 12.779 -0.091 -2.935 482 1HB ALA 63 1HB ALA 63 11.503 -1.860 -3.948 483 2HB ALA 63 2HB ALA 63 11.230 -0.355 -4.826 484 3HB ALA 63 3HB ALA 63 12.295 -1.587 -5.500 485 HA PRO 64 HA PRO 64 16.028 -3.093 -2.176 486 1HB PRO 64 1HB PRO 64 13.966 -4.472 -0.573 487 2HB PRO 64 2HB PRO 64 15.538 -3.841 -0.073 488 1HG PRO 64 1HG PRO 64 13.254 -2.646 0.658 489 2HG PRO 64 2HG PRO 64 14.717 -1.712 0.292 490 1HD PRO 64 1HD PRO 64 12.289 -2.177 -1.400 491 2HD PRO 64 2HD PRO 64 13.243 -0.695 -1.180 492 H ASP 65 H ASP 65 16.519 -5.125 -2.958 493 HA ASP 65 HA ASP 65 15.057 -5.917 -5.226 494 1HB ASP 65 1HB ASP 65 17.547 -6.224 -4.753 495 2HB ASP 65 2HB ASP 65 17.087 -7.644 -3.820 496 H GLU 66 H GLU 66 14.917 -6.940 -1.933 497 HA GLU 66 HA GLU 66 13.716 -9.448 -2.195 498 1HB GLU 66 1HB GLU 66 14.645 -8.539 -0.096 499 2HB GLU 66 2HB GLU 66 13.312 -7.398 -0.012 500 1HG GLU 66 1HG GLU 66 11.734 -9.204 0.244 501 2HG GLU 66 2HG GLU 66 13.023 -10.393 0.050 502 H VAL 67 H VAL 67 12.228 -6.213 -2.033 503 HA VAL 67 HA VAL 67 9.571 -7.354 -2.031 504 HB VAL 67 HB VAL 67 8.725 -5.088 -1.989 505 1HG1 VAL 67 1HG1 VAL 67 11.088 -5.427 -0.153 506 2HG1 VAL 67 2HG1 VAL 67 9.750 -4.305 0.091 507 3HG1 VAL 67 3HG1 VAL 67 9.458 -6.043 0.114 508 1HG2 VAL 67 1HG2 VAL 67 10.263 -4.022 -3.536 509 2HG2 VAL 67 2HG2 VAL 67 10.229 -3.143 -2.007 510 3HG2 VAL 67 3HG2 VAL 67 11.584 -4.209 -2.382 511 H ILE 68 H ILE 68 11.846 -6.593 -4.377 512 HA ILE 68 HA ILE 68 10.279 -5.562 -6.460 513 HB ILE 68 HB ILE 68 12.734 -7.314 -6.651 514 1HG1 ILE 68 1HG1 ILE 68 13.074 -5.236 -5.356 515 2HG1 ILE 68 2HG1 ILE 68 13.976 -5.224 -6.868 516 1HG2 ILE 68 1HG2 ILE 68 11.481 -5.506 -8.714 517 2HG2 ILE 68 2HG2 ILE 68 13.011 -6.365 -8.892 518 3HG2 ILE 68 3HG2 ILE 68 11.502 -7.269 -8.751 519 1HD1 ILE 68 1HD1 ILE 68 12.239 -3.805 -7.858 520 2HD1 ILE 68 2HD1 ILE 68 11.390 -3.795 -6.311 521 3HD1 ILE 68 3HD1 ILE 68 12.992 -3.068 -6.444 522 H GLU 69 H GLU 69 11.125 -8.931 -5.665 523 HA GLU 69 HA GLU 69 9.673 -9.989 -7.878 524 1HB GLU 69 1HB GLU 69 10.129 -12.179 -6.899 525 2HB GLU 69 2HB GLU 69 11.575 -11.187 -6.936 526 1HG GLU 69 1HG GLU 69 11.813 -11.972 -4.847 527 2HG GLU 69 2HG GLU 69 10.730 -10.637 -4.455 528 H ALA 70 H ALA 70 8.830 -9.060 -4.672 529 HA ALA 70 HA ALA 70 6.423 -10.591 -4.485 530 1HB ALA 70 1HB ALA 70 7.235 -8.103 -2.979 531 2HB ALA 70 2HB ALA 70 5.920 -9.197 -2.548 532 3HB ALA 70 3HB ALA 70 7.590 -9.760 -2.493 533 H ILE 71 H ILE 71 7.122 -7.171 -5.142 534 HA ILE 71 HA ILE 71 4.452 -6.461 -5.783 535 HB ILE 71 HB ILE 71 7.037 -5.110 -6.598 536 1HG1 ILE 71 1HG1 ILE 71 5.185 -4.560 -4.267 537 2HG1 ILE 71 2HG1 ILE 71 6.737 -5.381 -4.150 538 1HG2 ILE 71 1HG2 ILE 71 4.219 -4.025 -6.525 539 2HG2 ILE 71 2HG2 ILE 71 5.674 -3.098 -6.893 540 3HG2 ILE 71 3HG2 ILE 71 5.153 -4.388 -7.976 541 1HD1 ILE 71 1HD1 ILE 71 6.311 -2.538 -5.033 542 2HD1 ILE 71 2HD1 ILE 71 6.898 -3.064 -3.455 543 3HD1 ILE 71 3HD1 ILE 71 7.866 -3.360 -4.898 544 H LYS 72 H LYS 72 7.062 -7.876 -7.571 545 HA LYS 72 HA LYS 72 6.278 -7.422 -10.198 546 1HB LYS 72 1HB LYS 72 8.403 -8.455 -9.616 547 2HB LYS 72 2HB LYS 72 7.573 -9.863 -8.974 548 1HG LYS 72 1HG LYS 72 6.653 -10.216 -11.299 549 2HG LYS 72 2HG LYS 72 7.805 -8.991 -11.836 550 1HD LYS 72 1HD LYS 72 8.767 -11.180 -12.157 551 2HD LYS 72 2HD LYS 72 9.636 -10.348 -10.865 552 1HE LYS 72 1HE LYS 72 8.339 -11.582 -9.197 553 2HE LYS 72 2HE LYS 72 7.461 -12.407 -10.485 554 1HZ LYS 72 1HZ LYS 72 10.368 -12.615 -9.910 555 2HZ LYS 72 2HZ LYS 72 9.198 -13.821 -9.668 556 3HZ LYS 72 3HZ LYS 72 9.598 -13.330 -11.242 557 H GLN 73 H GLN 73 5.120 -9.799 -7.875 558 HA GLN 73 HA GLN 73 3.561 -11.141 -9.933 559 1HB GLN 73 1HB GLN 73 3.915 -11.794 -7.007 560 2HB GLN 73 2HB GLN 73 3.039 -12.780 -8.166 561 1HG GLN 73 1HG GLN 73 5.952 -12.094 -8.434 562 2HG GLN 73 2HG GLN 73 5.359 -13.539 -7.624 563 1HE2 GLN 73 2HE2 GLN 73 3.862 -12.196 -10.506 564 2HE2 GLN 73 1HE2 GLN 73 4.313 -13.486 -11.569 565 H ASN 74 H ASN 74 3.032 -9.303 -6.955 566 HA ASN 74 HA ASN 74 0.162 -9.656 -7.150 567 1HB ASN 74 1HB ASN 74 1.812 -7.996 -5.233 568 2HB ASN 74 2HB ASN 74 0.078 -8.265 -5.106 569 1HD2 ASN 74 2HD2 ASN 74 2.241 -8.916 -3.257 570 2HD2 ASN 74 1HD2 ASN 74 2.134 -10.621 -2.976 571 H GLY 75 H GLY 75 2.535 -7.214 -7.906 572 1HA GLY 75 1HA GLY 75 2.166 -5.307 -9.247 573 2HA GLY 75 2HA GLY 75 0.436 -5.467 -8.958 574 H TYR 76 H TYR 76 1.673 -5.994 -6.073 575 HA TYR 76 HA TYR 76 2.292 -3.344 -5.174 576 1HB TYR 76 1HB TYR 76 0.323 -3.138 -3.687 577 2HB TYR 76 2HB TYR 76 -0.136 -3.125 -5.387 578 HD1 TYR 76 HD1 TYR 76 -0.338 -4.947 -2.231 579 HD2 TYR 76 HD2 TYR 76 -1.328 -5.038 -6.367 580 HE1 TYR 76 HE1 TYR 76 -1.933 -6.766 -1.804 581 HE2 TYR 76 HE2 TYR 76 -2.925 -6.859 -5.948 582 HH TYR 76 HH TYR 76 -3.937 -7.735 -2.824 583 H PHE 77 H PHE 77 2.484 -3.367 -2.711 584 HA PHE 77 HA PHE 77 2.690 -6.034 -1.560 585 1HB PHE 77 1HB PHE 77 4.937 -5.564 -2.482 586 2HB PHE 77 2HB PHE 77 5.010 -4.089 -1.524 587 HD1 PHE 77 HD1 PHE 77 4.665 -7.775 -1.220 588 HD2 PHE 77 HD2 PHE 77 5.863 -4.139 0.640 589 HE1 PHE 77 HE1 PHE 77 5.615 -9.053 0.655 590 HE2 PHE 77 HE2 PHE 77 6.815 -5.410 2.520 591 HZ PHE 77 HZ PHE 77 6.693 -7.869 2.530 592 H ILE 78 H ILE 78 1.775 -6.027 0.356 593 HA ILE 78 HA ILE 78 1.624 -3.511 1.872 594 HB ILE 78 HB ILE 78 -0.096 -5.981 1.872 595 1HG1 ILE 78 1HG1 ILE 78 -1.926 -4.293 1.883 596 2HG1 ILE 78 2HG1 ILE 78 -0.715 -3.018 1.845 597 1HG2 ILE 78 1HG2 ILE 78 0.482 -5.702 4.201 598 2HG2 ILE 78 2HG2 ILE 78 0.067 -3.989 4.131 599 3HG2 ILE 78 3HG2 ILE 78 -1.191 -5.210 3.942 600 1HD1 ILE 78 1HD1 ILE 78 -1.649 -3.387 -0.349 601 2HD1 ILE 78 2HD1 ILE 78 0.055 -3.842 -0.329 602 3HD1 ILE 78 3HD1 ILE 78 -1.191 -5.089 -0.282 603 H TYR 79 H TYR 79 3.275 -3.330 3.242 604 HA TYR 79 HA TYR 79 4.328 -5.712 4.550 605 1HB TYR 79 1HB TYR 79 5.998 -4.134 3.784 606 2HB TYR 79 2HB TYR 79 5.215 -2.821 4.659 607 HD1 TYR 79 HD1 TYR 79 6.026 -2.248 6.754 608 HD2 TYR 79 HD2 TYR 79 6.742 -6.173 5.282 609 HE1 TYR 79 HE1 TYR 79 7.387 -2.737 8.741 610 HE2 TYR 79 HE2 TYR 79 8.109 -6.672 7.263 611 HH TYR 79 HH TYR 79 8.148 -4.659 10.019 612 H LYS 80 H LYS 80 3.489 -6.399 6.361 613 HA LYS 80 HA LYS 80 1.629 -4.872 7.885 614 1HB LYS 80 1HB LYS 80 3.057 -7.438 8.621 615 2HB LYS 80 2HB LYS 80 1.636 -6.783 9.423 616 1HG LYS 80 1HG LYS 80 0.318 -7.096 7.414 617 2HG LYS 80 2HG LYS 80 1.742 -7.670 6.545 618 1HD LYS 80 1HD LYS 80 1.916 -9.554 8.117 619 2HD LYS 80 2HD LYS 80 0.462 -8.987 8.939 620 1HE LYS 80 1HE LYS 80 -0.798 -9.264 6.836 621 2HE LYS 80 2HE LYS 80 0.657 -9.901 6.071 622 1HZ LYS 80 1HZ LYS 80 -0.759 -11.102 8.393 623 2HZ LYS 80 2HZ LYS 80 -0.792 -11.685 6.804 624 3HZ LYS 80 3HZ LYS 80 0.657 -11.713 7.685 625 H MET 81 H MET 81 2.735 -2.996 8.450 626 HA MET 81 HA MET 81 5.199 -2.848 9.766 627 1HB MET 81 1HB MET 81 4.065 -0.915 8.722 628 2HB MET 81 2HB MET 81 2.840 -0.960 9.981 629 1HG MET 81 1HG MET 81 4.687 -0.582 11.643 630 2HG MET 81 2HG MET 81 5.756 -0.291 10.272 631 1HE MET 81 1HE MET 81 3.779 1.206 8.242 632 2HE MET 81 2HE MET 81 5.432 1.736 8.550 633 3HE MET 81 3HE MET 81 4.103 2.891 8.649 634 H GLU 82 H GLU 82 1.998 -2.335 11.225 635 HA GLU 82 HA GLU 82 2.384 -4.156 13.343 636 1HB GLU 82 1HB GLU 82 2.526 -2.523 15.206 637 2HB GLU 82 2HB GLU 82 3.969 -2.543 14.202 638 1HG GLU 82 1HG GLU 82 3.146 -0.539 13.034 639 2HG GLU 82 2HG GLU 82 1.762 -0.501 14.125 640 H GLY 83 H GLY 83 0.610 -3.962 14.973 641 1HA GLY 83 1HA GLY 83 -1.622 -3.690 15.479 642 2HA GLY 83 2HA GLY 83 -1.658 -2.322 14.371 643 H CYS 84 H CYS 84 -0.454 -5.313 13.219 644 HA CYS 84 HA CYS 84 -2.934 -5.722 11.687 645 1HB CYS 84 1HB CYS 84 -0.105 -6.032 10.652 646 2HB CYS 84 2HB CYS 84 -1.585 -6.256 9.727 647 HG CYS 84 HG CYS 84 -0.720 -3.250 11.117 648 H ASN 85 H ASN 85 -2.726 -7.985 10.533 649 HA ASN 85 HA ASN 85 -1.719 -9.915 12.515 650 1HB ASN 85 1HB ASN 85 -4.311 -9.790 11.033 651 2HB ASN 85 2HB ASN 85 -3.630 -11.372 11.383 652 1HD2 ASN 85 2HD2 ASN 85 -2.980 -8.790 13.573 653 2HD2 ASN 85 1HD2 ASN 85 -4.049 -9.310 14.835 Start of MODEL 10 1 H MET 1 H MET 1 15.189 0.082 -8.979 2 HA MET 1 HA MET 1 13.020 0.069 -9.939 3 1HB MET 1 1HB MET 1 12.610 -2.366 -9.390 4 2HB MET 1 2HB MET 1 12.257 -1.867 -7.742 5 1HG MET 1 1HG MET 1 10.429 -0.449 -8.600 6 2HG MET 1 2HG MET 1 10.754 -1.060 -10.221 7 1HE MET 1 1HE MET 1 10.675 -2.847 -6.685 8 2HE MET 1 2HE MET 1 9.040 -3.504 -6.714 9 3HE MET 1 3HE MET 1 9.289 -1.758 -6.709 10 H GLN 2 H GLN 2 11.589 1.641 -9.223 11 HA GLN 2 HA GLN 2 12.265 2.822 -6.641 12 1HB GLN 2 1HB GLN 2 11.042 4.769 -7.385 13 2HB GLN 2 2HB GLN 2 12.125 4.258 -8.672 14 1HG GLN 2 1HG GLN 2 10.221 3.145 -9.784 15 2HG GLN 2 2HG GLN 2 9.158 3.762 -8.521 16 1HE2 GLN 2 2HE2 GLN 2 9.035 4.238 -11.358 17 2HE2 GLN 2 1HE2 GLN 2 9.185 5.949 -11.585 18 H ILE 3 H ILE 3 10.962 2.730 -4.887 19 HA ILE 3 HA ILE 3 8.311 1.525 -5.307 20 HB ILE 3 HB ILE 3 8.415 1.174 -2.750 21 1HG1 ILE 3 1HG1 ILE 3 11.358 1.427 -3.401 22 2HG1 ILE 3 2HG1 ILE 3 10.438 2.468 -2.320 23 1HG2 ILE 3 1HG2 ILE 3 10.009 -0.446 -4.714 24 2HG2 ILE 3 2HG2 ILE 3 9.565 -1.001 -3.099 25 3HG2 ILE 3 3HG2 ILE 3 8.311 -0.639 -4.284 26 1HD1 ILE 3 1HD1 ILE 3 11.759 0.905 -1.051 27 2HD1 ILE 3 2HD1 ILE 3 10.044 0.541 -0.844 28 3HD1 ILE 3 3HD1 ILE 3 11.037 -0.454 -1.914 29 H HIS 4 H HIS 4 6.604 2.680 -5.024 30 HA HIS 4 HA HIS 4 6.802 5.321 -3.822 31 1HB HIS 4 1HB HIS 4 4.452 3.919 -5.127 32 2HB HIS 4 2HB HIS 4 4.481 5.601 -4.612 33 HD1 HIS 4 HD1 HIS 4 3.971 4.710 -7.570 34 HD2 HIS 4 HD2 HIS 4 7.630 5.914 -6.027 35 HE1 HIS 4 HE1 HIS 4 5.299 5.539 -9.539 36 HE2 HIS 4 HE2 HIS 4 7.375 6.537 -8.518 37 H VAL 5 H VAL 5 6.744 5.331 -1.682 38 HA VAL 5 HA VAL 5 5.446 3.215 -0.216 39 HB VAL 5 HB VAL 5 6.722 5.721 0.886 40 1HG1 VAL 5 1HG1 VAL 5 6.996 4.379 2.920 41 2HG1 VAL 5 2HG1 VAL 5 5.299 4.550 2.470 42 3HG1 VAL 5 3HG1 VAL 5 6.150 3.040 2.143 43 1HG2 VAL 5 1HG2 VAL 5 7.985 3.036 0.342 44 2HG2 VAL 5 2HG2 VAL 5 8.325 4.539 -0.516 45 3HG2 VAL 5 3HG2 VAL 5 8.753 4.381 1.188 46 H TYR 6 H TYR 6 3.269 3.319 -0.280 47 HA TYR 6 HA TYR 6 1.958 5.875 0.235 48 1HB TYR 6 1HB TYR 6 1.027 3.224 -0.800 49 2HB TYR 6 2HB TYR 6 -0.141 4.332 -0.088 50 HD1 TYR 6 HD1 TYR 6 2.427 4.055 -2.764 51 HD2 TYR 6 HD2 TYR 6 -0.996 6.128 -1.320 52 HE1 TYR 6 HE1 TYR 6 2.273 5.275 -4.894 53 HE2 TYR 6 HE2 TYR 6 -1.158 7.354 -3.444 54 HH TYR 6 HH TYR 6 0.076 7.954 -5.323 55 H ASP 7 H ASP 7 1.953 6.389 2.292 56 HA ASP 7 HA ASP 7 1.757 4.533 4.449 57 1HB ASP 7 1HB ASP 7 2.817 6.828 4.564 58 2HB ASP 7 2HB ASP 7 1.197 7.506 4.504 59 H THR 8 H THR 8 -0.057 3.362 4.576 60 HA THR 8 HA THR 8 -2.612 4.703 4.073 61 HB THR 8 HB THR 8 -2.126 1.730 4.273 62 HG1 THR 8 HG1 THR 8 -0.946 2.900 2.537 63 1HG2 THR 8 1HG2 THR 8 -4.240 1.594 3.027 64 2HG2 THR 8 2HG2 THR 8 -4.456 2.444 4.558 65 3HG2 THR 8 3HG2 THR 8 -4.367 3.353 3.050 66 H TYR 9 H TYR 9 -3.211 5.612 5.956 67 HA TYR 9 HA TYR 9 -3.055 4.151 8.454 68 1HB TYR 9 1HB TYR 9 -4.546 6.727 7.904 69 2HB TYR 9 2HB TYR 9 -4.063 6.097 9.470 70 HD1 TYR 9 HD1 TYR 9 -1.488 5.869 9.863 71 HD2 TYR 9 HD2 TYR 9 -3.238 8.289 6.834 72 HE1 TYR 9 HE1 TYR 9 0.571 7.210 9.747 73 HE2 TYR 9 HE2 TYR 9 -1.186 9.629 6.705 74 HH TYR 9 HH TYR 9 1.712 8.655 7.943 75 H VAL 10 H VAL 10 -4.441 2.457 8.605 76 HA VAL 10 HA VAL 10 -7.204 2.907 7.698 77 HB VAL 10 HB VAL 10 -5.753 0.305 8.232 78 1HG1 VAL 10 1HG1 VAL 10 -8.107 0.128 8.852 79 2HG1 VAL 10 2HG1 VAL 10 -8.578 0.769 7.278 80 3HG1 VAL 10 3HG1 VAL 10 -7.771 -0.795 7.387 81 1HG2 VAL 10 1HG2 VAL 10 -5.070 1.391 6.163 82 2HG2 VAL 10 2HG2 VAL 10 -6.023 -0.052 5.821 83 3HG2 VAL 10 3HG2 VAL 10 -6.757 1.545 5.671 84 H LYS 11 H LYS 11 -8.447 3.582 9.251 85 HA LYS 11 HA LYS 11 -7.827 3.130 12.016 86 1HB LYS 11 1HB LYS 11 -10.323 4.380 10.859 87 2HB LYS 11 2HB LYS 11 -9.696 4.565 12.491 88 1HG LYS 11 1HG LYS 11 -7.773 5.778 11.637 89 2HG LYS 11 2HG LYS 11 -8.363 5.567 9.986 90 1HD LYS 11 1HD LYS 11 -10.462 6.756 10.705 91 2HD LYS 11 2HD LYS 11 -9.635 7.139 12.215 92 1HE LYS 11 1HE LYS 11 -8.713 7.914 9.453 93 2HE LYS 11 2HE LYS 11 -9.503 8.982 10.612 94 1HZ LYS 11 1HZ LYS 11 -6.845 7.700 10.904 95 2HZ LYS 11 2HZ LYS 11 -7.163 9.345 10.680 96 3HZ LYS 11 3HZ LYS 11 -7.610 8.581 12.129 97 H ALA 12 H ALA 12 -8.102 1.045 12.594 98 HA ALA 12 HA ALA 12 -10.225 -0.621 11.797 99 1HB ALA 12 1HB ALA 12 -8.180 -1.499 12.808 100 2HB ALA 12 2HB ALA 12 -8.586 -0.714 14.333 101 3HB ALA 12 3HB ALA 12 -9.601 -2.018 13.714 102 H LYS 13 H LYS 13 -12.178 -1.091 12.800 103 HA LYS 13 HA LYS 13 -13.536 1.112 13.911 104 1HB LYS 13 1HB LYS 13 -14.395 -1.786 13.968 105 2HB LYS 13 2HB LYS 13 -15.435 -0.369 14.057 106 1HG LYS 13 1HG LYS 13 -14.893 0.235 11.795 107 2HG LYS 13 2HG LYS 13 -13.709 -1.066 11.691 108 1HD LYS 13 1HD LYS 13 -15.642 -1.841 10.573 109 2HD LYS 13 2HD LYS 13 -15.614 -2.664 12.131 110 1HE LYS 13 1HE LYS 13 -17.214 -1.008 13.005 111 2HE LYS 13 2HE LYS 13 -17.273 -0.251 11.412 112 1HZ LYS 13 1HZ LYS 13 -18.153 -2.990 12.133 113 2HZ LYS 13 2HZ LYS 13 -19.126 -1.705 11.606 114 3HZ LYS 13 3HZ LYS 13 -18.030 -2.436 10.535 115 H ASP 14 H ASP 14 -11.707 -1.436 15.278 116 HA ASP 14 HA ASP 14 -12.536 -1.397 17.953 117 1HB ASP 14 1HB ASP 14 -10.970 -3.056 17.118 118 2HB ASP 14 2HB ASP 14 -9.788 -1.805 16.754 119 H GLY 15 H GLY 15 -10.865 0.969 16.086 120 1HA GLY 15 1HA GLY 15 -10.385 3.171 16.798 121 2HA GLY 15 2HA GLY 15 -10.454 2.622 18.469 122 H HIS 16 H HIS 16 -8.664 1.356 15.701 123 HA HIS 16 HA HIS 16 -6.134 2.003 17.044 124 1HB HIS 16 1HB HIS 16 -7.077 -0.452 17.374 125 2HB HIS 16 2HB HIS 16 -6.462 -0.675 15.741 126 HD1 HIS 16 HD1 HIS 16 -5.355 -0.089 19.262 127 HD2 HIS 16 HD2 HIS 16 -3.681 -0.807 15.525 128 HE1 HIS 16 HE1 HIS 16 -2.936 -0.619 19.693 129 HE2 HIS 16 HE2 HIS 16 -2.021 -1.307 17.449 130 H VAL 17 H VAL 17 -4.470 2.481 15.600 131 HA VAL 17 HA VAL 17 -5.430 2.933 12.875 132 HB VAL 17 HB VAL 17 -2.900 3.989 14.148 133 1HG1 VAL 17 1HG1 VAL 17 -2.862 3.940 11.701 134 2HG1 VAL 17 2HG1 VAL 17 -4.380 4.838 11.658 135 3HG1 VAL 17 3HG1 VAL 17 -2.926 5.595 12.308 136 1HG2 VAL 17 1HG2 VAL 17 -4.860 4.797 15.358 137 2HG2 VAL 17 2HG2 VAL 17 -4.118 6.099 14.427 138 3HG2 VAL 17 3HG2 VAL 17 -5.591 5.325 13.842 139 H MET 18 H MET 18 -5.102 1.295 11.571 140 HA MET 18 HA MET 18 -2.766 -0.405 11.762 141 1HB MET 18 1HB MET 18 -5.107 -0.333 9.847 142 2HB MET 18 2HB MET 18 -3.797 -1.501 9.735 143 1HG MET 18 1HG MET 18 -5.389 -1.213 12.250 144 2HG MET 18 2HG MET 18 -5.981 -2.181 10.902 145 1HE MET 18 1HE MET 18 -4.860 -4.383 10.038 146 2HE MET 18 2HE MET 18 -3.280 -4.955 10.571 147 3HE MET 18 3HE MET 18 -3.413 -3.445 9.668 148 H HIS 19 H HIS 19 -0.938 0.665 11.145 149 HA HIS 19 HA HIS 19 -1.003 2.061 8.568 150 1HB HIS 19 1HB HIS 19 -0.039 3.398 10.357 151 2HB HIS 19 2HB HIS 19 1.088 2.111 10.761 152 HD1 HIS 19 HD1 HIS 19 2.503 4.602 10.283 153 HD2 HIS 19 HD2 HIS 19 1.351 2.210 7.076 154 HE1 HIS 19 HE1 HIS 19 4.077 5.167 8.404 155 HE2 HIS 19 HE2 HIS 19 3.442 3.620 6.512 156 H PHE 20 H PHE 20 -0.847 0.550 7.072 157 HA PHE 20 HA PHE 20 1.658 -0.980 7.060 158 1HB PHE 20 1HB PHE 20 0.566 -2.544 5.458 159 2HB PHE 20 2HB PHE 20 -0.178 -2.557 7.048 160 HD1 PHE 20 HD1 PHE 20 -0.604 -1.615 3.533 161 HD2 PHE 20 HD2 PHE 20 -2.426 -1.793 7.373 162 HE1 PHE 20 HE1 PHE 20 -2.805 -1.250 2.501 163 HE2 PHE 20 HE2 PHE 20 -4.629 -1.425 6.348 164 HZ PHE 20 HZ PHE 20 -4.820 -1.156 3.910 165 H ASP 21 H ASP 21 2.927 -0.808 5.219 166 HA ASP 21 HA ASP 21 2.289 1.598 3.682 167 1HB ASP 21 1HB ASP 21 4.904 0.115 4.022 168 2HB ASP 21 2HB ASP 21 4.694 1.558 3.037 169 H VAL 22 H VAL 22 1.483 1.411 1.751 170 HA VAL 22 HA VAL 22 1.580 -1.126 0.351 171 HB VAL 22 HB VAL 22 0.293 1.474 -0.513 172 1HG1 VAL 22 1HG1 VAL 22 -1.001 0.065 -2.043 173 2HG1 VAL 22 2HG1 VAL 22 0.728 -0.046 -2.369 174 3HG1 VAL 22 3HG1 VAL 22 -0.093 -1.349 -1.510 175 1HG2 VAL 22 1HG2 VAL 22 -0.924 -0.912 0.875 176 2HG2 VAL 22 2HG2 VAL 22 -0.671 0.685 1.578 177 3HG2 VAL 22 3HG2 VAL 22 -1.813 0.477 0.251 178 H PHE 23 H PHE 23 3.536 -1.488 -0.519 179 HA PHE 23 HA PHE 23 4.991 0.642 -1.833 180 1HB PHE 23 1HB PHE 23 5.592 -2.306 -1.507 181 2HB PHE 23 2HB PHE 23 6.664 -1.164 -2.309 182 HD1 PHE 23 HD1 PHE 23 7.632 0.727 -0.988 183 HD2 PHE 23 HD2 PHE 23 5.569 -2.516 0.834 184 HE1 PHE 23 HE1 PHE 23 8.659 1.295 1.174 185 HE2 PHE 23 HE2 PHE 23 6.592 -1.955 3.001 186 HZ PHE 23 HZ PHE 23 8.139 -0.047 3.172 187 H THR 24 H THR 24 4.514 1.232 -3.815 188 HA THR 24 HA THR 24 3.767 -0.839 -5.764 189 HB THR 24 HB THR 24 2.276 0.967 -6.813 190 HG1 THR 24 HG1 THR 24 2.320 1.995 -4.155 191 1HG2 THR 24 1HG2 THR 24 1.360 -1.019 -5.733 192 2HG2 THR 24 2HG2 THR 24 1.490 -0.237 -4.156 193 3HG2 THR 24 3HG2 THR 24 0.372 0.396 -5.365 194 H ASP 25 H ASP 25 4.582 -0.576 -7.817 195 HA ASP 25 HA ASP 25 6.595 1.491 -8.208 196 1HB ASP 25 1HB ASP 25 7.179 -0.748 -8.928 197 2HB ASP 25 2HB ASP 25 5.719 -0.868 -9.901 198 H VAL 26 H VAL 26 3.349 0.764 -9.050 199 HA VAL 26 HA VAL 26 3.073 2.524 -11.272 200 HB VAL 26 HB VAL 26 0.901 1.604 -9.378 201 1HG1 VAL 26 1HG1 VAL 26 0.787 2.494 -12.255 202 2HG1 VAL 26 2HG1 VAL 26 -0.577 1.904 -11.306 203 3HG1 VAL 26 3HG1 VAL 26 0.224 3.411 -10.858 204 1HG2 VAL 26 1HG2 VAL 26 0.527 -0.264 -10.909 205 2HG2 VAL 26 2HG2 VAL 26 1.928 0.234 -11.861 206 3HG2 VAL 26 3HG2 VAL 26 2.144 -0.327 -10.203 207 H ARG 27 H ARG 27 2.313 4.645 -11.311 208 HA ARG 27 HA ARG 27 2.588 6.076 -8.771 209 1HB ARG 27 1HB ARG 27 2.769 8.105 -10.236 210 2HB ARG 27 2HB ARG 27 4.054 6.924 -10.436 211 1HG ARG 27 1HG ARG 27 3.012 6.102 -12.470 212 2HG ARG 27 2HG ARG 27 1.675 7.237 -12.257 213 1HD ARG 27 1HD ARG 27 3.202 9.113 -12.472 214 2HD ARG 27 2HD ARG 27 4.571 8.009 -12.601 215 HE ARG 27 HE ARG 27 3.741 7.312 -14.742 216 1HH1 ARG 27 1HH1 ARG 27 2.215 10.148 -13.369 217 2HH1 ARG 27 2HH1 ARG 27 1.584 10.716 -14.887 218 1HH2 ARG 27 1HH2 ARG 27 2.963 8.083 -16.766 219 2HH2 ARG 27 2HH2 ARG 27 2.011 9.539 -16.822 220 H ASP 28 H ASP 28 0.207 4.648 -9.238 221 HA ASP 28 HA ASP 28 -1.760 6.781 -9.730 222 1HB ASP 28 1HB ASP 28 -1.944 4.658 -11.084 223 2HB ASP 28 2HB ASP 28 -2.280 3.804 -9.582 224 H ASP 29 H ASP 29 -2.713 7.636 -8.018 225 HA ASP 29 HA ASP 29 -1.958 6.759 -5.414 226 1HB ASP 29 1HB ASP 29 -3.911 8.916 -6.239 227 2HB ASP 29 2HB ASP 29 -3.288 8.671 -4.610 228 H LYS 30 H LYS 30 -5.017 6.726 -7.223 229 HA LYS 30 HA LYS 30 -6.479 5.856 -4.915 230 1HB LYS 30 1HB LYS 30 -8.398 6.065 -6.162 231 2HB LYS 30 2HB LYS 30 -7.339 7.190 -6.992 232 1HG LYS 30 1HG LYS 30 -6.878 5.485 -8.691 233 2HG LYS 30 2HG LYS 30 -7.979 4.381 -7.862 234 1HD LYS 30 1HD LYS 30 -9.741 6.198 -8.124 235 2HD LYS 30 2HD LYS 30 -8.622 6.967 -9.252 236 1HE LYS 30 1HE LYS 30 -10.188 5.628 -10.491 237 2HE LYS 30 2HE LYS 30 -8.595 4.880 -10.578 238 1HZ LYS 30 1HZ LYS 30 -10.729 4.054 -8.684 239 2HZ LYS 30 2HZ LYS 30 -10.413 3.287 -10.160 240 3HZ LYS 30 3HZ LYS 30 -9.245 3.275 -8.932 241 H LYS 31 H LYS 31 -4.873 4.303 -7.600 242 HA LYS 31 HA LYS 31 -5.935 1.730 -7.378 243 1HB LYS 31 1HB LYS 31 -3.280 2.807 -8.230 244 2HB LYS 31 2HB LYS 31 -3.460 1.074 -8.008 245 1HG LYS 31 1HG LYS 31 -5.216 2.733 -9.800 246 2HG LYS 31 2HG LYS 31 -3.785 1.856 -10.343 247 1HD LYS 31 1HD LYS 31 -4.820 -0.234 -9.450 248 2HD LYS 31 2HD LYS 31 -6.287 0.695 -9.130 249 1HE LYS 31 1HE LYS 31 -4.992 0.395 -11.836 250 2HE LYS 31 2HE LYS 31 -6.355 -0.565 -11.263 251 1HZ LYS 31 1HZ LYS 31 -7.654 1.464 -11.065 252 2HZ LYS 31 2HZ LYS 31 -6.346 2.390 -11.623 253 3HZ LYS 31 3HZ LYS 31 -7.093 1.263 -12.645 254 H ALA 32 H ALA 32 -3.243 3.229 -5.626 255 HA ALA 32 HA ALA 32 -2.545 1.016 -4.054 256 1HB ALA 32 1HB ALA 32 -1.421 2.604 -2.604 257 2HB ALA 32 2HB ALA 32 -1.147 3.022 -4.297 258 3HB ALA 32 3HB ALA 32 -2.313 3.937 -3.339 259 H ILE 33 H ILE 33 -4.917 3.573 -3.569 260 HA ILE 33 HA ILE 33 -5.747 2.860 -0.975 261 HB ILE 33 HB ILE 33 -7.386 4.150 -3.166 262 1HG1 ILE 33 1HG1 ILE 33 -5.758 5.430 -0.957 263 2HG1 ILE 33 2HG1 ILE 33 -5.273 5.350 -2.646 264 1HG2 ILE 33 1HG2 ILE 33 -8.741 5.051 -1.337 265 2HG2 ILE 33 2HG2 ILE 33 -8.767 3.288 -1.355 266 3HG2 ILE 33 3HG2 ILE 33 -7.774 4.142 -0.175 267 1HD1 ILE 33 1HD1 ILE 33 -6.177 7.529 -2.095 268 2HD1 ILE 33 2HD1 ILE 33 -7.209 6.703 -3.262 269 3HD1 ILE 33 3HD1 ILE 33 -7.686 6.786 -1.566 270 H GLU 34 H GLU 34 -6.966 1.920 -4.184 271 HA GLU 34 HA GLU 34 -9.045 0.263 -3.252 272 1HB GLU 34 1HB GLU 34 -7.507 0.165 -5.850 273 2HB GLU 34 2HB GLU 34 -8.963 -0.767 -5.521 274 1HG GLU 34 1HG GLU 34 -10.204 1.330 -5.192 275 2HG GLU 34 2HG GLU 34 -8.744 2.238 -5.584 276 H PHE 35 H PHE 35 -5.642 -0.383 -3.945 277 HA PHE 35 HA PHE 35 -5.745 -3.179 -3.634 278 1HB PHE 35 1HB PHE 35 -3.479 -1.244 -3.124 279 2HB PHE 35 2HB PHE 35 -3.300 -2.995 -3.104 280 HD1 PHE 35 HD1 PHE 35 -5.152 -3.589 -5.437 281 HD2 PHE 35 HD2 PHE 35 -2.038 -0.733 -4.917 282 HE1 PHE 35 HE1 PHE 35 -4.753 -3.586 -7.865 283 HE2 PHE 35 HE2 PHE 35 -1.638 -0.723 -7.343 284 HZ PHE 35 HZ PHE 35 -2.996 -2.150 -8.820 285 H ALA 36 H ALA 36 -5.265 -0.563 -1.308 286 HA ALA 36 HA ALA 36 -4.843 -2.165 0.966 287 1HB ALA 36 1HB ALA 36 -5.439 -0.178 2.254 288 2HB ALA 36 2HB ALA 36 -4.359 0.231 0.922 289 3HB ALA 36 3HB ALA 36 -6.083 0.580 0.797 290 H LYS 37 H LYS 37 -7.805 -0.777 -0.419 291 HA LYS 37 HA LYS 37 -9.552 -1.845 1.543 292 1HB LYS 37 1HB LYS 37 -10.129 -1.010 -1.305 293 2HB LYS 37 2HB LYS 37 -11.349 -1.333 -0.080 294 1HG LYS 37 1HG LYS 37 -10.410 0.508 1.279 295 2HG LYS 37 2HG LYS 37 -9.287 0.861 -0.034 296 1HD LYS 37 1HD LYS 37 -11.180 2.358 -0.164 297 2HD LYS 37 2HD LYS 37 -11.215 1.245 -1.532 298 1HE LYS 37 1HE LYS 37 -12.884 -0.115 -0.412 299 2HE LYS 37 2HE LYS 37 -12.809 0.926 1.008 300 1HZ LYS 37 1HZ LYS 37 -14.707 1.522 -0.277 301 2HZ LYS 37 2HZ LYS 37 -13.571 2.773 -0.424 302 3HZ LYS 37 3HZ LYS 37 -13.787 1.669 -1.697 303 H GLN 38 H GLN 38 -8.227 -3.088 -1.434 304 HA GLN 38 HA GLN 38 -9.926 -5.337 -1.712 305 1HB GLN 38 1HB GLN 38 -8.138 -4.245 -3.331 306 2HB GLN 38 2HB GLN 38 -7.067 -5.421 -2.584 307 1HG GLN 38 1HG GLN 38 -8.596 -7.216 -3.267 308 2HG GLN 38 2HG GLN 38 -9.620 -6.015 -4.055 309 1HE2 GLN 38 2HE2 GLN 38 -6.627 -7.758 -4.179 310 2HE2 GLN 38 1HE2 GLN 38 -6.208 -7.318 -5.797 311 H TRP 39 H TRP 39 -6.900 -4.756 -0.020 312 HA TRP 39 HA TRP 39 -6.540 -7.380 0.979 313 1HB TRP 39 1HB TRP 39 -4.734 -5.717 0.933 314 2HB TRP 39 2HB TRP 39 -5.608 -4.717 2.085 315 HD1 TRP 39 HD1 TRP 39 -3.840 -8.153 1.909 316 HE1 TRP 39 HE1 TRP 39 -2.979 -8.730 4.269 317 HE3 TRP 39 HE3 TRP 39 -5.824 -4.207 4.485 318 HZ2 TRP 39 HZ2 TRP 39 -3.124 -7.654 6.869 319 HZ3 TRP 39 HZ3 TRP 39 -5.414 -4.056 6.907 320 HH2 TRP 39 HH2 TRP 39 -4.092 -5.744 8.073 321 H LEU 40 H LEU 40 -8.181 -4.501 2.230 322 HA LEU 40 HA LEU 40 -9.002 -5.575 4.697 323 1HB LEU 40 1HB LEU 40 -10.317 -3.484 2.963 324 2HB LEU 40 2HB LEU 40 -10.784 -3.834 4.615 325 HG LEU 40 HG LEU 40 -8.082 -2.791 3.759 326 1HD1 LEU 40 1HD1 LEU 40 -10.389 -1.401 5.113 327 2HD1 LEU 40 2HD1 LEU 40 -8.799 -0.704 4.804 328 3HD1 LEU 40 3HD1 LEU 40 -9.848 -1.138 3.455 329 1HD2 LEU 40 1HD2 LEU 40 -9.267 -3.207 6.502 330 2HD2 LEU 40 2HD2 LEU 40 -7.978 -4.167 5.776 331 3HD2 LEU 40 3HD2 LEU 40 -7.707 -2.465 6.151 332 H SER 41 H SER 41 -10.232 -5.963 1.470 333 HA SER 41 HA SER 41 -12.769 -7.021 2.247 334 1HB SER 41 1HB SER 41 -12.274 -5.934 0.025 335 2HB SER 41 2HB SER 41 -11.361 -7.378 -0.407 336 HG SER 41 HG SER 41 -14.109 -7.354 0.354 337 H SER 42 H SER 42 -9.613 -8.384 1.491 338 HA SER 42 HA SER 42 -10.612 -11.077 1.430 339 1HB SER 42 1HB SER 42 -8.027 -11.530 1.425 340 2HB SER 42 2HB SER 42 -8.817 -10.856 -0.000 341 HG SER 42 HG SER 42 -7.902 -8.950 0.362 342 H ILE 43 H ILE 43 -9.310 -8.967 3.869 343 HA ILE 43 HA ILE 43 -8.857 -11.169 5.708 344 HB ILE 43 HB ILE 43 -8.291 -9.485 7.376 345 1HG1 ILE 43 1HG1 ILE 43 -8.933 -7.430 5.250 346 2HG1 ILE 43 2HG1 ILE 43 -9.948 -7.775 6.647 347 1HG2 ILE 43 1HG2 ILE 43 -7.010 -8.958 4.701 348 2HG2 ILE 43 2HG2 ILE 43 -6.326 -8.534 6.270 349 3HG2 ILE 43 3HG2 ILE 43 -6.566 -10.228 5.841 350 1HD1 ILE 43 1HD1 ILE 43 -7.133 -6.715 6.732 351 2HD1 ILE 43 2HD1 ILE 43 -8.608 -5.780 6.990 352 3HD1 ILE 43 3HD1 ILE 43 -8.156 -7.048 8.129 353 H GLY 44 H GLY 44 -11.500 -9.466 4.621 354 1HA GLY 44 1HA GLY 44 -13.715 -9.814 5.201 355 2HA GLY 44 2HA GLY 44 -13.172 -10.720 6.604 356 H GLU 45 H GLU 45 -12.347 -7.390 5.724 357 HA GLU 45 HA GLU 45 -13.648 -6.521 8.215 358 1HB GLU 45 1HB GLU 45 -11.108 -6.137 7.685 359 2HB GLU 45 2HB GLU 45 -11.695 -4.830 6.677 360 1HG GLU 45 1HG GLU 45 -12.171 -5.131 9.632 361 2HG GLU 45 2HG GLU 45 -11.019 -4.038 8.871 362 H GLU 46 H GLU 46 -12.802 -4.668 5.328 363 HA GLU 46 HA GLU 46 -13.993 -3.494 3.800 364 1HB GLU 46 1HB GLU 46 -16.208 -5.431 4.470 365 2HB GLU 46 2HB GLU 46 -16.083 -4.452 3.014 366 1HG GLU 46 1HG GLU 46 -14.091 -5.651 2.347 367 2HG GLU 46 2HG GLU 46 -14.139 -6.598 3.833 368 H GLY 47 H GLY 47 -14.162 -2.632 6.653 369 1HA GLY 47 1HA GLY 47 -16.747 -1.203 6.467 370 2HA GLY 47 2HA GLY 47 -16.019 -1.685 7.992 371 H ALA 48 H ALA 48 -13.362 -0.958 7.398 372 HA ALA 48 HA ALA 48 -13.370 1.728 8.207 373 1HB ALA 48 1HB ALA 48 -11.104 0.160 6.986 374 2HB ALA 48 2HB ALA 48 -10.956 1.648 7.923 375 3HB ALA 48 3HB ALA 48 -11.545 0.175 8.694 376 H THR 49 H THR 49 -13.714 3.517 7.105 377 HA THR 49 HA THR 49 -13.772 3.569 4.243 378 HB THR 49 HB THR 49 -13.973 5.879 6.190 379 HG1 THR 49 HG1 THR 49 -15.921 4.125 5.067 380 1HG2 THR 49 1HG2 THR 49 -13.469 6.578 3.896 381 2HG2 THR 49 2HG2 THR 49 -14.834 5.632 3.303 382 3HG2 THR 49 3HG2 THR 49 -15.115 7.026 4.346 383 H VAL 50 H VAL 50 -11.954 3.595 3.105 384 HA VAL 50 HA VAL 50 -9.682 5.187 4.110 385 HB VAL 50 HB VAL 50 -9.582 2.810 2.241 386 1HG1 VAL 50 1HG1 VAL 50 -7.795 4.403 1.813 387 2HG1 VAL 50 2HG1 VAL 50 -7.367 4.407 3.524 388 3HG1 VAL 50 3HG1 VAL 50 -7.153 2.943 2.565 389 1HG2 VAL 50 1HG2 VAL 50 -10.178 2.132 4.505 390 2HG2 VAL 50 2HG2 VAL 50 -8.538 1.619 4.110 391 3HG2 VAL 50 3HG2 VAL 50 -8.797 3.022 5.147 392 H THR 51 H THR 51 -9.313 6.984 3.019 393 HA THR 51 HA THR 51 -9.679 6.967 0.099 394 HB THR 51 HB THR 51 -10.434 9.330 0.206 395 HG1 THR 51 HG1 THR 51 -10.050 8.872 2.948 396 1HG2 THR 51 1HG2 THR 51 -12.092 7.552 0.009 397 2HG2 THR 51 2HG2 THR 51 -12.157 7.403 1.765 398 3HG2 THR 51 3HG2 THR 51 -12.716 8.882 0.987 399 H SER 52 H SER 52 -8.775 9.642 -0.255 400 HA SER 52 HA SER 52 -5.978 9.185 -0.254 401 1HB SER 52 1HB SER 52 -5.999 11.661 -1.037 402 2HB SER 52 2HB SER 52 -6.764 10.442 -2.057 403 HG SER 52 HG SER 52 -7.861 12.614 -0.994 404 H GLU 53 H GLU 53 -8.017 10.398 2.165 405 HA GLU 53 HA GLU 53 -6.033 12.090 3.421 406 1HB GLU 53 1HB GLU 53 -8.662 12.210 3.564 407 2HB GLU 53 2HB GLU 53 -8.458 11.014 4.833 408 1HG GLU 53 1HG GLU 53 -6.917 13.570 4.918 409 2HG GLU 53 2HG GLU 53 -8.600 13.529 5.428 410 H GLU 54 H GLU 54 -7.464 8.907 3.897 411 HA GLU 54 HA GLU 54 -5.825 8.198 6.117 412 1HB GLU 54 1HB GLU 54 -7.517 6.524 4.253 413 2HB GLU 54 2HB GLU 54 -6.703 5.888 5.673 414 1HG GLU 54 1HG GLU 54 -8.956 6.242 6.272 415 2HG GLU 54 2HG GLU 54 -8.022 7.520 7.044 416 H CYS 55 H CYS 55 -5.781 7.385 2.652 417 HA CYS 55 HA CYS 55 -3.151 6.134 3.031 418 1HB CYS 55 1HB CYS 55 -4.947 4.860 1.828 419 2HB CYS 55 2HB CYS 55 -4.917 6.092 0.572 420 HG CYS 55 HG CYS 55 -2.569 3.733 1.295 421 H ARG 56 H ARG 56 -1.508 7.490 2.820 422 HA ARG 56 HA ARG 56 -1.731 9.661 0.833 423 1HB ARG 56 1HB ARG 56 -0.195 9.667 3.436 424 2HB ARG 56 2HB ARG 56 -0.246 10.986 2.273 425 1HG ARG 56 1HG ARG 56 -2.656 11.212 2.654 426 2HG ARG 56 2HG ARG 56 -2.578 9.912 3.844 427 1HD ARG 56 1HD ARG 56 -1.009 11.244 5.176 428 2HD ARG 56 2HD ARG 56 -1.120 12.545 3.991 429 HE ARG 56 HE ARG 56 -3.620 11.671 5.197 430 1HH1 ARG 56 1HH1 ARG 56 -0.980 13.993 5.207 431 2HH1 ARG 56 2HH1 ARG 56 -1.888 15.190 6.087 432 1HH2 ARG 56 1HH2 ARG 56 -4.791 13.249 6.364 433 2HH2 ARG 56 2HH2 ARG 56 -4.026 14.771 6.745 434 H PHE 57 H PHE 57 0.433 10.467 0.087 435 HA PHE 57 HA PHE 57 2.173 8.173 -0.466 436 1HB PHE 57 1HB PHE 57 1.319 9.342 -2.428 437 2HB PHE 57 2HB PHE 57 1.929 10.873 -1.816 438 HD1 PHE 57 HD1 PHE 57 3.120 7.476 -2.776 439 HD2 PHE 57 HD2 PHE 57 3.961 11.641 -2.558 440 HE1 PHE 57 HE1 PHE 57 5.230 7.110 -3.983 441 HE2 PHE 57 HE2 PHE 57 6.073 11.281 -3.767 442 HZ PHE 57 HZ PHE 57 6.709 9.013 -4.480 443 H CYS 58 H CYS 58 3.997 7.990 0.669 444 HA CYS 58 HA CYS 58 4.973 10.180 2.270 445 1HB CYS 58 1HB CYS 58 6.176 7.445 1.782 446 2HB CYS 58 2HB CYS 58 6.665 8.579 3.035 447 HG CYS 58 HG CYS 58 5.199 6.463 4.179 448 H HIS 59 H HIS 59 6.674 8.060 -0.022 449 HA HIS 59 HA HIS 59 7.608 10.108 -1.699 450 1HB HIS 59 1HB HIS 59 9.989 10.165 -1.073 451 2HB HIS 59 2HB HIS 59 8.974 10.791 0.214 452 HD1 HIS 59 HD1 HIS 59 9.252 9.743 2.485 453 HD2 HIS 59 HD2 HIS 59 11.023 7.504 -0.538 454 HE1 HIS 59 HE1 HIS 59 10.528 7.921 3.649 455 HE2 HIS 59 HE2 HIS 59 11.349 6.427 1.790 456 H SER 60 H SER 60 9.688 9.239 -2.888 457 HA SER 60 HA SER 60 9.236 6.379 -3.435 458 1HB SER 60 1HB SER 60 10.560 8.440 -5.219 459 2HB SER 60 2HB SER 60 10.103 6.796 -5.662 460 HG SER 60 HG SER 60 8.523 8.193 -6.410 461 H GLU 61 H GLU 61 10.862 4.979 -2.980 462 HA GLU 61 HA GLU 61 13.566 6.078 -2.693 463 1HB GLU 61 1HB GLU 61 13.919 4.639 -0.684 464 2HB GLU 61 2HB GLU 61 12.786 5.958 -0.437 465 1HG GLU 61 1HG GLU 61 10.926 4.342 -0.770 466 2HG GLU 61 2HG GLU 61 12.125 3.051 -0.839 467 H LYS 62 H LYS 62 15.162 4.127 -2.377 468 HA LYS 62 HA LYS 62 14.803 2.546 -4.758 469 1HB LYS 62 1HB LYS 62 16.968 3.578 -4.223 470 2HB LYS 62 2HB LYS 62 17.073 2.605 -2.764 471 1HG LYS 62 1HG LYS 62 17.478 0.651 -3.942 472 2HG LYS 62 2HG LYS 62 16.808 1.300 -5.442 473 1HD LYS 62 1HD LYS 62 19.273 1.130 -5.490 474 2HD LYS 62 2HD LYS 62 18.700 2.785 -5.691 475 1HE LYS 62 1HE LYS 62 19.065 3.072 -3.206 476 2HE LYS 62 2HE LYS 62 19.902 1.521 -3.240 477 1HZ LYS 62 1HZ LYS 62 21.518 2.408 -4.744 478 2HZ LYS 62 2HZ LYS 62 20.657 3.861 -4.909 479 3HZ LYS 62 3HZ LYS 62 21.389 3.472 -3.429 480 H ALA 63 H ALA 63 14.185 0.509 -4.886 481 HA ALA 63 HA ALA 63 12.940 -0.594 -2.549 482 1HB ALA 63 1HB ALA 63 11.912 -2.146 -4.056 483 2HB ALA 63 2HB ALA 63 11.877 -0.539 -4.782 484 3HB ALA 63 3HB ALA 63 13.055 -1.728 -5.333 485 HA PRO 64 HA PRO 64 15.999 -3.788 -1.689 486 1HB PRO 64 1HB PRO 64 13.853 -5.009 -0.121 487 2HB PRO 64 2HB PRO 64 15.403 -4.370 0.429 488 1HG PRO 64 1HG PRO 64 13.049 -3.167 0.998 489 2HG PRO 64 2HG PRO 64 14.559 -2.262 0.781 490 1HD PRO 64 1HD PRO 64 12.290 -2.655 -1.132 491 2HD PRO 64 2HD PRO 64 13.247 -1.195 -0.802 492 H ASP 65 H ASP 65 16.228 -5.958 -2.347 493 HA ASP 65 HA ASP 65 14.907 -6.638 -4.692 494 1HB ASP 65 1HB ASP 65 16.104 -8.765 -4.539 495 2HB ASP 65 2HB ASP 65 17.153 -7.414 -4.148 496 H GLU 66 H GLU 66 14.175 -7.529 -1.385 497 HA GLU 66 HA GLU 66 12.536 -9.754 -1.909 498 1HB GLU 66 1HB GLU 66 13.442 -9.124 0.323 499 2HB GLU 66 2HB GLU 66 12.303 -7.787 0.375 500 1HG GLU 66 1HG GLU 66 11.470 -9.628 1.680 501 2HG GLU 66 2HG GLU 66 10.444 -9.389 0.265 502 H VAL 67 H VAL 67 11.832 -6.294 -1.831 503 HA VAL 67 HA VAL 67 8.983 -6.760 -2.016 504 HB VAL 67 HB VAL 67 8.658 -4.461 -1.794 505 1HG1 VAL 67 1HG1 VAL 67 11.255 -5.019 -0.378 506 2HG1 VAL 67 2HG1 VAL 67 10.109 -3.740 0.027 507 3HG1 VAL 67 3HG1 VAL 67 9.642 -5.432 0.210 508 1HG2 VAL 67 1HG2 VAL 67 10.362 -2.749 -2.199 509 2HG2 VAL 67 2HG2 VAL 67 11.494 -4.001 -2.709 510 3HG2 VAL 67 3HG2 VAL 67 10.033 -3.699 -3.648 511 H ILE 68 H ILE 68 11.626 -6.281 -4.159 512 HA ILE 68 HA ILE 68 10.264 -4.994 -6.267 513 HB ILE 68 HB ILE 68 12.822 -6.589 -6.253 514 1HG1 ILE 68 1HG1 ILE 68 12.348 -3.610 -6.409 515 2HG1 ILE 68 2HG1 ILE 68 12.616 -4.469 -4.897 516 1HG2 ILE 68 1HG2 ILE 68 11.881 -6.588 -8.508 517 2HG2 ILE 68 2HG2 ILE 68 11.695 -4.836 -8.437 518 3HG2 ILE 68 3HG2 ILE 68 13.306 -5.553 -8.424 519 1HD1 ILE 68 1HD1 ILE 68 14.633 -3.402 -5.643 520 2HD1 ILE 68 2HD1 ILE 68 14.817 -5.154 -5.695 521 3HD1 ILE 68 3HD1 ILE 68 14.548 -4.255 -7.188 522 H GLU 69 H GLU 69 11.182 -8.441 -5.885 523 HA GLU 69 HA GLU 69 9.776 -9.169 -8.261 524 1HB GLU 69 1HB GLU 69 10.950 -10.801 -6.019 525 2HB GLU 69 2HB GLU 69 10.092 -11.533 -7.370 526 1HG GLU 69 1HG GLU 69 11.701 -10.373 -8.898 527 2HG GLU 69 2HG GLU 69 12.618 -9.909 -7.466 528 H ALA 70 H ALA 70 8.852 -8.695 -4.984 529 HA ALA 70 HA ALA 70 6.464 -10.257 -5.051 530 1HB ALA 70 1HB ALA 70 5.868 -9.078 -3.003 531 2HB ALA 70 2HB ALA 70 7.540 -9.633 -2.944 532 3HB ALA 70 3HB ALA 70 7.186 -7.936 -3.265 533 H ILE 71 H ILE 71 7.169 -6.796 -5.462 534 HA ILE 71 HA ILE 71 4.496 -6.048 -6.086 535 HB ILE 71 HB ILE 71 7.092 -4.650 -6.767 536 1HG1 ILE 71 1HG1 ILE 71 5.141 -4.151 -4.511 537 2HG1 ILE 71 2HG1 ILE 71 6.675 -4.998 -4.341 538 1HG2 ILE 71 1HG2 ILE 71 4.265 -3.598 -6.795 539 2HG2 ILE 71 2HG2 ILE 71 5.720 -2.637 -7.048 540 3HG2 ILE 71 3HG2 ILE 71 5.278 -3.892 -8.206 541 1HD1 ILE 71 1HD1 ILE 71 6.843 -2.697 -3.593 542 2HD1 ILE 71 2HD1 ILE 71 7.863 -2.978 -5.005 543 3HD1 ILE 71 3HD1 ILE 71 6.327 -2.131 -5.181 544 H LYS 72 H LYS 72 7.294 -6.985 -8.012 545 HA LYS 72 HA LYS 72 6.222 -6.424 -10.551 546 1HB LYS 72 1HB LYS 72 8.619 -6.856 -10.051 547 2HB LYS 72 2HB LYS 72 8.233 -8.547 -9.785 548 1HG LYS 72 1HG LYS 72 7.629 -8.832 -12.085 549 2HG LYS 72 2HG LYS 72 7.801 -7.102 -12.387 550 1HD LYS 72 1HD LYS 72 10.027 -8.954 -11.528 551 2HD LYS 72 2HD LYS 72 9.748 -8.392 -13.178 552 1HE LYS 72 1HE LYS 72 10.072 -6.077 -12.440 553 2HE LYS 72 2HE LYS 72 10.355 -6.642 -10.795 554 1HZ LYS 72 1HZ LYS 72 12.328 -7.772 -11.510 555 2HZ LYS 72 2HZ LYS 72 12.017 -7.402 -13.138 556 3HZ LYS 72 3HZ LYS 72 12.410 -6.163 -12.043 557 H GLN 73 H GLN 73 5.696 -9.010 -8.330 558 HA GLN 73 HA GLN 73 4.531 -10.797 -10.273 559 1HB GLN 73 1HB GLN 73 5.763 -11.718 -8.397 560 2HB GLN 73 2HB GLN 73 4.699 -10.906 -7.259 561 1HG GLN 73 1HG GLN 73 2.818 -12.279 -8.175 562 2HG GLN 73 2HG GLN 73 4.018 -13.182 -9.101 563 1HE2 GLN 73 2HE2 GLN 73 5.436 -14.555 -8.026 564 2HE2 GLN 73 1HE2 GLN 73 5.207 -15.017 -6.370 565 H ASN 74 H ASN 74 3.331 -8.895 -7.497 566 HA ASN 74 HA ASN 74 0.601 -9.698 -8.203 567 1HB ASN 74 1HB ASN 74 1.663 -8.368 -5.705 568 2HB ASN 74 2HB ASN 74 -0.010 -8.847 -5.962 569 1HD2 ASN 74 2HD2 ASN 74 3.217 -9.927 -5.319 570 2HD2 ASN 74 1HD2 ASN 74 2.810 -11.562 -4.925 571 H GLY 75 H GLY 75 2.666 -6.973 -8.364 572 1HA GLY 75 1HA GLY 75 2.078 -4.995 -9.540 573 2HA GLY 75 2HA GLY 75 0.390 -5.293 -9.149 574 H TYR 76 H TYR 76 1.186 -5.915 -6.328 575 HA TYR 76 HA TYR 76 2.088 -3.352 -5.323 576 1HB TYR 76 1HB TYR 76 0.113 -2.947 -3.964 577 2HB TYR 76 2HB TYR 76 -0.347 -3.036 -5.658 578 HD1 TYR 76 HD1 TYR 76 -0.930 -4.297 -2.369 579 HD2 TYR 76 HD2 TYR 76 -1.370 -5.246 -6.494 580 HE1 TYR 76 HE1 TYR 76 -2.640 -5.965 -1.795 581 HE2 TYR 76 HE2 TYR 76 -3.080 -6.923 -5.929 582 HH TYR 76 HH TYR 76 -3.771 -8.293 -3.997 583 H PHE 77 H PHE 77 2.696 -3.417 -3.119 584 HA PHE 77 HA PHE 77 2.749 -6.117 -1.941 585 1HB PHE 77 1HB PHE 77 4.976 -5.424 -2.783 586 2HB PHE 77 2HB PHE 77 4.911 -4.005 -1.743 587 HD1 PHE 77 HD1 PHE 77 5.884 -4.111 0.342 588 HD2 PHE 77 HD2 PHE 77 4.682 -7.720 -1.565 589 HE1 PHE 77 HE1 PHE 77 6.903 -5.411 2.165 590 HE2 PHE 77 HE2 PHE 77 5.697 -9.026 0.256 591 HZ PHE 77 HZ PHE 77 6.810 -7.870 2.125 592 H ILE 78 H ILE 78 1.445 -6.140 -0.252 593 HA ILE 78 HA ILE 78 0.984 -3.713 1.305 594 HB ILE 78 HB ILE 78 -0.270 -6.457 1.548 595 1HG1 ILE 78 1HG1 ILE 78 -0.888 -5.316 -0.530 596 2HG1 ILE 78 2HG1 ILE 78 -2.261 -5.400 0.568 597 1HG2 ILE 78 1HG2 ILE 78 -0.987 -3.874 2.927 598 2HG2 ILE 78 2HG2 ILE 78 -1.916 -5.372 3.010 599 3HG2 ILE 78 3HG2 ILE 78 -0.287 -5.306 3.684 600 1HD1 ILE 78 1HD1 ILE 78 -2.137 -3.244 -0.535 601 2HD1 ILE 78 2HD1 ILE 78 -1.896 -3.076 1.204 602 3HD1 ILE 78 3HD1 ILE 78 -0.516 -2.994 0.110 603 H TYR 79 H TYR 79 2.743 -3.357 2.555 604 HA TYR 79 HA TYR 79 3.804 -5.567 4.148 605 1HB TYR 79 1HB TYR 79 5.448 -4.238 2.943 606 2HB TYR 79 2HB TYR 79 4.837 -2.762 3.681 607 HD1 TYR 79 HD1 TYR 79 5.944 -1.920 5.523 608 HD2 TYR 79 HD2 TYR 79 6.266 -6.074 4.665 609 HE1 TYR 79 HE1 TYR 79 7.554 -2.169 7.362 610 HE2 TYR 79 HE2 TYR 79 7.879 -6.334 6.503 611 HH TYR 79 HH TYR 79 8.413 -3.881 8.836 612 H LYS 80 H LYS 80 2.516 -5.873 5.886 613 HA LYS 80 HA LYS 80 1.322 -3.774 7.376 614 1HB LYS 80 1HB LYS 80 1.898 -6.647 8.120 615 2HB LYS 80 2HB LYS 80 1.015 -5.533 9.153 616 1HG LYS 80 1HG LYS 80 -0.763 -6.469 8.144 617 2HG LYS 80 2HG LYS 80 -0.414 -5.261 6.908 618 1HD LYS 80 1HD LYS 80 -0.753 -7.367 5.817 619 2HD LYS 80 2HD LYS 80 0.966 -6.978 5.727 620 1HE LYS 80 1HE LYS 80 1.453 -8.487 7.536 621 2HE LYS 80 2HE LYS 80 -0.263 -8.781 7.807 622 1HZ LYS 80 1HZ LYS 80 1.238 -9.514 5.347 623 2HZ LYS 80 2HZ LYS 80 0.781 -10.582 6.579 624 3HZ LYS 80 3HZ LYS 80 -0.405 -9.821 5.640 625 H MET 81 H MET 81 2.527 -2.261 8.269 626 HA MET 81 HA MET 81 5.213 -2.936 9.149 627 1HB MET 81 1HB MET 81 4.783 -1.091 7.517 628 2HB MET 81 2HB MET 81 3.960 -0.213 8.796 629 1HG MET 81 1HG MET 81 6.785 -1.130 9.140 630 2HG MET 81 2HG MET 81 6.410 0.349 8.259 631 1HE MET 81 1HE MET 81 5.106 2.416 9.350 632 2HE MET 81 2HE MET 81 4.501 2.404 11.007 633 3HE MET 81 3HE MET 81 3.819 1.299 9.810 634 H GLU 82 H GLU 82 2.401 -1.090 10.393 635 HA GLU 82 HA GLU 82 3.050 -1.984 13.082 636 1HB GLU 82 1HB GLU 82 4.359 0.170 12.560 637 2HB GLU 82 2HB GLU 82 2.799 0.977 12.583 638 1HG GLU 82 1HG GLU 82 3.787 1.270 14.713 639 2HG GLU 82 2HG GLU 82 2.472 0.110 14.899 640 H GLY 83 H GLY 83 1.289 -1.866 14.497 641 1HA GLY 83 1HA GLY 83 -0.849 -0.820 15.062 642 2HA GLY 83 2HA GLY 83 -1.207 -0.779 13.342 643 H CYS 84 H CYS 84 0.207 -3.594 13.489 644 HA CYS 84 HA CYS 84 -2.295 -5.026 13.577 645 1HB CYS 84 1HB CYS 84 0.511 -6.038 13.069 646 2HB CYS 84 2HB CYS 84 -0.980 -6.935 12.784 647 HG CYS 84 HG CYS 84 -1.278 -4.143 11.169 648 H ASN 85 H ASN 85 -2.018 -7.369 14.598 649 HA ASN 85 HA ASN 85 -0.988 -7.004 17.326 650 1HB ASN 85 1HB ASN 85 -3.430 -6.970 17.349 651 2HB ASN 85 2HB ASN 85 -3.478 -8.493 16.465 652 1HD2 ASN 85 2HD2 ASN 85 -2.744 -6.964 19.501 653 2HD2 ASN 85 1HD2 ASN 85 -2.750 -8.414 20.458 Start of MODEL 11 1 H MET 1 H MET 1 15.865 -1.833 -7.814 2 HA MET 1 HA MET 1 14.769 0.249 -8.586 3 1HB MET 1 1HB MET 1 13.848 -1.900 -9.208 4 2HB MET 1 2HB MET 1 13.082 -2.076 -7.637 5 1HG MET 1 1HG MET 1 11.601 -0.208 -8.135 6 2HG MET 1 2HG MET 1 12.382 -0.000 -9.701 7 1HE MET 1 1HE MET 1 9.186 -0.473 -8.985 8 2HE MET 1 2HE MET 1 8.731 -1.459 -10.376 9 3HE MET 1 3HE MET 1 9.779 -0.058 -10.592 10 H GLN 2 H GLN 2 13.229 1.876 -8.164 11 HA GLN 2 HA GLN 2 12.901 2.481 -5.347 12 1HB GLN 2 1HB GLN 2 12.131 4.018 -7.828 13 2HB GLN 2 2HB GLN 2 11.871 4.599 -6.189 14 1HG GLN 2 1HG GLN 2 14.344 4.391 -5.829 15 2HG GLN 2 2HG GLN 2 14.492 4.075 -7.558 16 1HE2 GLN 2 2HE2 GLN 2 12.128 6.266 -6.220 17 2HE2 GLN 2 1HE2 GLN 2 12.847 7.718 -6.820 18 H ILE 3 H ILE 3 10.956 2.786 -4.288 19 HA ILE 3 HA ILE 3 8.593 1.590 -5.595 20 HB ILE 3 HB ILE 3 7.898 0.950 -3.235 21 1HG1 ILE 3 1HG1 ILE 3 10.857 1.331 -2.709 22 2HG1 ILE 3 2HG1 ILE 3 9.597 2.376 -2.085 23 1HG2 ILE 3 1HG2 ILE 3 10.290 -0.376 -4.483 24 2HG2 ILE 3 2HG2 ILE 3 9.214 -1.117 -3.298 25 3HG2 ILE 3 3HG2 ILE 3 8.599 -0.667 -4.890 26 1HD1 ILE 3 1HD1 ILE 3 9.938 -0.542 -1.452 27 2HD1 ILE 3 2HD1 ILE 3 10.340 0.812 -0.396 28 3HD1 ILE 3 3HD1 ILE 3 8.659 0.502 -0.830 29 H HIS 4 H HIS 4 6.551 2.400 -4.990 30 HA HIS 4 HA HIS 4 6.595 5.134 -3.940 31 1HB HIS 4 1HB HIS 4 4.433 3.518 -5.310 32 2HB HIS 4 2HB HIS 4 4.159 5.116 -4.630 33 HD1 HIS 4 HD1 HIS 4 3.516 5.872 -7.067 34 HD2 HIS 4 HD2 HIS 4 7.473 4.707 -6.568 35 HE1 HIS 4 HE1 HIS 4 4.733 6.732 -9.091 36 HE2 HIS 4 HE2 HIS 4 7.068 5.799 -8.876 37 H VAL 5 H VAL 5 6.506 5.221 -1.781 38 HA VAL 5 HA VAL 5 5.138 3.114 -0.310 39 HB VAL 5 HB VAL 5 6.740 5.469 0.708 40 1HG1 VAL 5 1HG1 VAL 5 5.111 4.735 2.361 41 2HG1 VAL 5 2HG1 VAL 5 5.649 3.066 2.174 42 3HG1 VAL 5 3HG1 VAL 5 6.740 4.272 2.856 43 1HG2 VAL 5 1HG2 VAL 5 7.460 2.552 0.436 44 2HG2 VAL 5 2HG2 VAL 5 8.090 3.876 -0.547 45 3HG2 VAL 5 3HG2 VAL 5 8.467 3.798 1.174 46 H TYR 6 H TYR 6 3.038 3.294 -0.045 47 HA TYR 6 HA TYR 6 1.883 5.944 0.453 48 1HB TYR 6 1HB TYR 6 0.611 3.333 -0.387 49 2HB TYR 6 2HB TYR 6 -0.318 4.754 0.078 50 HD1 TYR 6 HD1 TYR 6 -0.770 6.455 -1.481 51 HD2 TYR 6 HD2 TYR 6 2.186 3.528 -2.380 52 HE1 TYR 6 HE1 TYR 6 -0.634 7.307 -3.787 53 HE2 TYR 6 HE2 TYR 6 2.328 4.372 -4.684 54 HH TYR 6 HH TYR 6 0.864 7.330 -5.663 55 H ASP 7 H ASP 7 2.142 6.349 2.548 56 HA ASP 7 HA ASP 7 1.935 4.449 4.649 57 1HB ASP 7 1HB ASP 7 3.157 6.630 4.791 58 2HB ASP 7 2HB ASP 7 1.608 7.461 4.762 59 H THR 8 H THR 8 0.049 3.387 4.983 60 HA THR 8 HA THR 8 -2.437 4.826 4.394 61 HB THR 8 HB THR 8 -2.100 1.843 4.701 62 HG1 THR 8 HG1 THR 8 -0.832 2.969 2.943 63 1HG2 THR 8 1HG2 THR 8 -4.398 2.688 4.884 64 2HG2 THR 8 2HG2 THR 8 -4.211 3.527 3.343 65 3HG2 THR 8 3HG2 THR 8 -4.175 1.764 3.398 66 H TYR 9 H TYR 9 -3.724 5.441 5.981 67 HA TYR 9 HA TYR 9 -3.428 4.210 8.637 68 1HB TYR 9 1HB TYR 9 -4.886 6.756 7.890 69 2HB TYR 9 2HB TYR 9 -4.567 6.172 9.516 70 HD1 TYR 9 HD1 TYR 9 -2.216 6.176 10.377 71 HD2 TYR 9 HD2 TYR 9 -3.287 8.032 6.700 72 HE1 TYR 9 HE1 TYR 9 -0.138 7.489 10.437 73 HE2 TYR 9 HE2 TYR 9 -1.208 9.342 6.748 74 HH TYR 9 HH TYR 9 1.367 8.627 8.678 75 H VAL 10 H VAL 10 -4.687 2.304 8.074 76 HA VAL 10 HA VAL 10 -7.513 2.804 7.530 77 HB VAL 10 HB VAL 10 -6.065 0.166 7.818 78 1HG1 VAL 10 1HG1 VAL 10 -8.095 -0.836 6.903 79 2HG1 VAL 10 2HG1 VAL 10 -8.422 -0.013 8.428 80 3HG1 VAL 10 3HG1 VAL 10 -8.877 0.744 6.902 81 1HG2 VAL 10 1HG2 VAL 10 -6.352 -0.004 5.387 82 2HG2 VAL 10 2HG2 VAL 10 -7.030 1.624 5.367 83 3HG2 VAL 10 3HG2 VAL 10 -5.349 1.374 5.841 84 H LYS 11 H LYS 11 -8.235 3.727 9.369 85 HA LYS 11 HA LYS 11 -7.561 2.644 11.957 86 1HB LYS 11 1HB LYS 11 -7.676 5.061 11.599 87 2HB LYS 11 2HB LYS 11 -9.367 4.928 11.147 88 1HG LYS 11 1HG LYS 11 -9.907 4.165 13.408 89 2HG LYS 11 2HG LYS 11 -8.206 4.316 13.856 90 1HD LYS 11 1HD LYS 11 -9.486 6.273 14.573 91 2HD LYS 11 2HD LYS 11 -8.279 6.707 13.361 92 1HE LYS 11 1HE LYS 11 -10.060 6.591 11.630 93 2HE LYS 11 2HE LYS 11 -11.236 6.308 12.912 94 1HZ LYS 11 1HZ LYS 11 -10.608 8.457 13.876 95 2HZ LYS 11 2HZ LYS 11 -9.543 8.727 12.585 96 3HZ LYS 11 3HZ LYS 11 -11.210 8.622 12.303 97 H ALA 12 H ALA 12 -8.586 0.872 12.637 98 HA ALA 12 HA ALA 12 -11.193 0.103 11.837 99 1HB ALA 12 1HB ALA 12 -9.545 -1.513 12.667 100 2HB ALA 12 2HB ALA 12 -9.622 -0.768 14.264 101 3HB ALA 12 3HB ALA 12 -11.041 -1.578 13.598 102 H LYS 13 H LYS 13 -13.155 0.284 12.932 103 HA LYS 13 HA LYS 13 -13.437 2.859 14.104 104 1HB LYS 13 1HB LYS 13 -15.480 0.659 13.783 105 2HB LYS 13 2HB LYS 13 -15.833 2.339 14.167 106 1HG LYS 13 1HG LYS 13 -14.608 1.298 11.620 107 2HG LYS 13 2HG LYS 13 -16.237 1.938 11.830 108 1HD LYS 13 1HD LYS 13 -15.338 4.127 12.375 109 2HD LYS 13 2HD LYS 13 -13.694 3.501 12.277 110 1HE LYS 13 1HE LYS 13 -14.199 4.693 10.250 111 2HE LYS 13 2HE LYS 13 -14.087 2.971 9.888 112 1HZ LYS 13 1HZ LYS 13 -16.457 2.817 9.810 113 2HZ LYS 13 2HZ LYS 13 -16.640 4.422 10.340 114 3HZ LYS 13 3HZ LYS 13 -15.980 4.099 8.809 115 H ASP 14 H ASP 14 -13.558 -0.418 15.377 116 HA ASP 14 HA ASP 14 -13.356 0.750 18.069 117 1HB ASP 14 1HB ASP 14 -15.688 -0.156 17.573 118 2HB ASP 14 2HB ASP 14 -14.951 -1.755 17.511 119 H GLY 15 H GLY 15 -11.233 -0.018 16.489 120 1HA GLY 15 1HA GLY 15 -10.238 -2.316 18.029 121 2HA GLY 15 2HA GLY 15 -10.057 -2.311 16.280 122 H HIS 16 H HIS 16 -8.336 -1.341 15.415 123 HA HIS 16 HA HIS 16 -6.881 0.673 16.918 124 1HB HIS 16 1HB HIS 16 -4.728 -0.489 16.698 125 2HB HIS 16 2HB HIS 16 -5.854 -1.428 17.670 126 HD1 HIS 16 HD1 HIS 16 -6.664 -3.682 16.704 127 HD2 HIS 16 HD2 HIS 16 -3.960 -1.666 14.272 128 HE1 HIS 16 HE1 HIS 16 -5.980 -5.336 14.937 129 HE2 HIS 16 HE2 HIS 16 -4.369 -4.091 13.456 130 H VAL 17 H VAL 17 -5.166 1.676 15.575 131 HA VAL 17 HA VAL 17 -6.086 2.056 12.883 132 HB VAL 17 HB VAL 17 -3.547 3.082 14.171 133 1HG1 VAL 17 1HG1 VAL 17 -3.477 3.166 11.739 134 2HG1 VAL 17 2HG1 VAL 17 -5.027 4.007 11.708 135 3HG1 VAL 17 3HG1 VAL 17 -3.612 4.791 12.412 136 1HG2 VAL 17 1HG2 VAL 17 -4.795 5.166 14.539 137 2HG2 VAL 17 2HG2 VAL 17 -6.259 4.382 13.944 138 3HG2 VAL 17 3HG2 VAL 17 -5.494 3.811 15.426 139 H MET 18 H MET 18 -5.726 0.518 11.427 140 HA MET 18 HA MET 18 -3.488 -1.259 11.500 141 1HB MET 18 1HB MET 18 -5.337 -0.642 9.188 142 2HB MET 18 2HB MET 18 -4.279 -2.032 9.318 143 1HG MET 18 1HG MET 18 -6.483 -1.503 11.280 144 2HG MET 18 2HG MET 18 -6.746 -2.386 9.778 145 1HE MET 18 1HE MET 18 -5.760 -4.748 9.243 146 2HE MET 18 2HE MET 18 -4.535 -5.547 10.231 147 3HE MET 18 3HE MET 18 -4.144 -4.054 9.377 148 H HIS 19 H HIS 19 -1.669 0.090 11.571 149 HA HIS 19 HA HIS 19 -1.256 1.864 9.286 150 1HB HIS 19 1HB HIS 19 -0.811 2.623 11.681 151 2HB HIS 19 2HB HIS 19 0.588 1.552 11.656 152 HD1 HIS 19 HD1 HIS 19 2.680 2.764 11.078 153 HD2 HIS 19 HD2 HIS 19 -0.649 4.447 9.245 154 HE1 HIS 19 HE1 HIS 19 3.543 4.740 9.785 155 HE2 HIS 19 HE2 HIS 19 1.546 5.588 8.495 156 H PHE 20 H PHE 20 -0.323 1.062 7.590 157 HA PHE 20 HA PHE 20 2.030 -0.610 7.849 158 1HB PHE 20 1HB PHE 20 1.128 -2.257 6.183 159 2HB PHE 20 2HB PHE 20 0.330 -2.313 7.750 160 HD1 PHE 20 HD1 PHE 20 -0.043 -1.566 4.207 161 HD2 PHE 20 HD2 PHE 20 -1.956 -1.515 8.007 162 HE1 PHE 20 HE1 PHE 20 -2.223 -1.299 3.103 163 HE2 PHE 20 HE2 PHE 20 -4.139 -1.247 6.908 164 HZ PHE 20 HZ PHE 20 -4.275 -1.139 4.452 165 H ASP 21 H ASP 21 3.305 -0.633 5.944 166 HA ASP 21 HA ASP 21 2.755 1.694 4.254 167 1HB ASP 21 1HB ASP 21 5.275 0.065 4.629 168 2HB ASP 21 2HB ASP 21 5.125 1.412 3.504 169 H VAL 22 H VAL 22 1.868 1.436 2.353 170 HA VAL 22 HA VAL 22 1.896 -1.179 1.066 171 HB VAL 22 HB VAL 22 0.490 1.362 0.213 172 1HG1 VAL 22 1HG1 VAL 22 -0.833 -0.093 -1.237 173 2HG1 VAL 22 2HG1 VAL 22 0.881 -0.170 -1.649 174 3HG1 VAL 22 3HG1 VAL 22 0.134 -1.480 -0.735 175 1HG2 VAL 22 1HG2 VAL 22 -0.561 -1.043 1.695 176 2HG2 VAL 22 2HG2 VAL 22 -0.351 0.581 2.348 177 3HG2 VAL 22 3HG2 VAL 22 -1.541 0.289 1.082 178 H PHE 23 H PHE 23 3.671 -1.603 -0.062 179 HA PHE 23 HA PHE 23 5.043 0.530 -1.501 180 1HB PHE 23 1HB PHE 23 5.746 -2.405 -1.257 181 2HB PHE 23 2HB PHE 23 6.763 -1.155 -1.960 182 HD1 PHE 23 HD1 PHE 23 7.098 -3.159 0.482 183 HD2 PHE 23 HD2 PHE 23 6.292 1.000 0.094 184 HE1 PHE 23 HE1 PHE 23 8.111 -2.763 2.687 185 HE2 PHE 23 HE2 PHE 23 7.307 1.404 2.299 186 HZ PHE 23 HZ PHE 23 8.219 -0.478 3.598 187 H THR 24 H THR 24 4.438 1.008 -3.497 188 HA THR 24 HA THR 24 3.570 -1.183 -5.259 189 HB THR 24 HB THR 24 1.986 0.489 -6.325 190 HG1 THR 24 HG1 THR 24 2.317 1.845 -3.839 191 1HG2 THR 24 1HG2 THR 24 1.176 -1.328 -4.898 192 2HG2 THR 24 2HG2 THR 24 1.421 -0.323 -3.470 193 3HG2 THR 24 3HG2 THR 24 0.213 0.133 -4.673 194 H ASP 25 H ASP 25 3.780 -0.663 -7.569 195 HA ASP 25 HA ASP 25 5.997 1.207 -8.066 196 1HB ASP 25 1HB ASP 25 6.553 -0.100 -9.990 197 2HB ASP 25 2HB ASP 25 6.268 -1.242 -8.680 198 H VAL 26 H VAL 26 2.747 1.052 -8.199 199 HA VAL 26 HA VAL 26 2.245 2.064 -10.840 200 HB VAL 26 HB VAL 26 0.372 1.907 -8.469 201 1HG1 VAL 26 1HG1 VAL 26 -1.411 1.938 -10.149 202 2HG1 VAL 26 2HG1 VAL 26 -0.439 3.410 -10.203 203 3HG1 VAL 26 3HG1 VAL 26 -0.205 2.153 -11.418 204 1HG2 VAL 26 1HG2 VAL 26 -0.413 -0.191 -9.461 205 2HG2 VAL 26 2HG2 VAL 26 0.843 -0.073 -10.693 206 3HG2 VAL 26 3HG2 VAL 26 1.287 -0.282 -9.000 207 H ARG 27 H ARG 27 1.555 4.127 -11.403 208 HA ARG 27 HA ARG 27 2.390 6.232 -9.547 209 1HB ARG 27 1HB ARG 27 1.900 6.240 -12.522 210 2HB ARG 27 2HB ARG 27 2.250 7.694 -11.600 211 1HG ARG 27 1HG ARG 27 4.416 6.767 -10.960 212 2HG ARG 27 2HG ARG 27 4.058 5.306 -11.886 213 1HD ARG 27 1HD ARG 27 4.027 6.504 -13.931 214 2HD ARG 27 2HD ARG 27 4.053 8.058 -13.099 215 HE ARG 27 HE ARG 27 6.333 6.196 -12.916 216 1HH1 ARG 27 1HH1 ARG 27 4.966 9.304 -13.782 217 2HH1 ARG 27 2HH1 ARG 27 6.512 10.072 -14.007 218 1HH2 ARG 27 1HH2 ARG 27 8.381 7.198 -13.231 219 2HH2 ARG 27 2HH2 ARG 27 8.457 8.868 -13.713 220 H ASP 28 H ASP 28 -0.207 4.795 -9.454 221 HA ASP 28 HA ASP 28 -1.987 7.107 -9.847 222 1HB ASP 28 1HB ASP 28 -2.428 5.310 -11.497 223 2HB ASP 28 2HB ASP 28 -2.739 4.197 -10.173 224 H ASP 29 H ASP 29 -2.889 7.826 -8.081 225 HA ASP 29 HA ASP 29 -2.345 6.758 -5.552 226 1HB ASP 29 1HB ASP 29 -4.366 8.816 -6.442 227 2HB ASP 29 2HB ASP 29 -4.077 8.417 -4.753 228 H LYS 30 H LYS 30 -5.325 6.651 -7.496 229 HA LYS 30 HA LYS 30 -6.861 5.438 -5.445 230 1HB LYS 30 1HB LYS 30 -7.923 6.677 -7.276 231 2HB LYS 30 2HB LYS 30 -7.368 5.464 -8.425 232 1HG LYS 30 1HG LYS 30 -8.757 3.792 -7.437 233 2HG LYS 30 2HG LYS 30 -9.188 4.864 -6.106 234 1HD LYS 30 1HD LYS 30 -10.299 6.368 -7.698 235 2HD LYS 30 2HD LYS 30 -9.895 5.261 -9.011 236 1HE LYS 30 1HE LYS 30 -12.224 5.025 -8.147 237 2HE LYS 30 2HE LYS 30 -11.270 3.544 -8.083 238 1HZ LYS 30 1HZ LYS 30 -12.643 4.127 -6.045 239 2HZ LYS 30 2HZ LYS 30 -11.021 3.723 -5.779 240 3HZ LYS 30 3HZ LYS 30 -11.505 5.348 -5.745 241 H LYS 31 H LYS 31 -4.974 4.173 -8.141 242 HA LYS 31 HA LYS 31 -5.671 1.477 -7.938 243 1HB LYS 31 1HB LYS 31 -3.599 3.018 -9.173 244 2HB LYS 31 2HB LYS 31 -2.882 1.602 -8.424 245 1HG LYS 31 1HG LYS 31 -3.471 1.204 -10.758 246 2HG LYS 31 2HG LYS 31 -4.381 0.158 -9.667 247 1HD LYS 31 1HD LYS 31 -6.323 1.588 -9.863 248 2HD LYS 31 2HD LYS 31 -5.416 2.727 -10.860 249 1HE LYS 31 1HE LYS 31 -5.968 -0.146 -11.591 250 2HE LYS 31 2HE LYS 31 -6.903 1.234 -12.166 251 1HZ LYS 31 1HZ LYS 31 -4.020 0.717 -12.684 252 2HZ LYS 31 2HZ LYS 31 -5.286 0.614 -13.809 253 3HZ LYS 31 3HZ LYS 31 -4.850 2.117 -13.157 254 H ALA 32 H ALA 32 -3.120 3.281 -6.242 255 HA ALA 32 HA ALA 32 -2.168 1.165 -4.663 256 1HB ALA 32 1HB ALA 32 -0.965 3.275 -4.924 257 2HB ALA 32 2HB ALA 32 -2.224 4.109 -4.014 258 3HB ALA 32 3HB ALA 32 -1.223 2.893 -3.222 259 H ILE 33 H ILE 33 -4.704 3.563 -4.074 260 HA ILE 33 HA ILE 33 -5.489 2.762 -1.515 261 HB ILE 33 HB ILE 33 -7.207 3.840 -3.765 262 1HG1 ILE 33 1HG1 ILE 33 -5.891 5.254 -1.435 263 2HG1 ILE 33 2HG1 ILE 33 -5.329 5.305 -3.103 264 1HG2 ILE 33 1HG2 ILE 33 -8.782 4.506 -2.018 265 2HG2 ILE 33 2HG2 ILE 33 -8.573 2.755 -2.066 266 3HG2 ILE 33 3HG2 ILE 33 -7.781 3.704 -0.808 267 1HD1 ILE 33 1HD1 ILE 33 -7.962 6.357 -2.092 268 2HD1 ILE 33 2HD1 ILE 33 -6.549 7.317 -2.532 269 3HD1 ILE 33 3HD1 ILE 33 -7.410 6.398 -3.766 270 H GLU 34 H GLU 34 -6.665 1.681 -4.696 271 HA GLU 34 HA GLU 34 -8.523 -0.193 -3.734 272 1HB GLU 34 1HB GLU 34 -7.061 -0.029 -6.368 273 2HB GLU 34 2HB GLU 34 -8.320 -1.208 -6.035 274 1HG GLU 34 1HG GLU 34 -8.667 1.781 -5.966 275 2HG GLU 34 2HG GLU 34 -9.154 0.721 -7.285 276 H PHE 35 H PHE 35 -5.062 -0.470 -4.386 277 HA PHE 35 HA PHE 35 -4.889 -3.274 -4.198 278 1HB PHE 35 1HB PHE 35 -2.864 -1.125 -3.569 279 2HB PHE 35 2HB PHE 35 -2.490 -2.844 -3.503 280 HD1 PHE 35 HD1 PHE 35 -1.542 -0.375 -5.329 281 HD2 PHE 35 HD2 PHE 35 -4.018 -3.792 -5.876 282 HE1 PHE 35 HE1 PHE 35 -1.048 -0.342 -7.736 283 HE2 PHE 35 HE2 PHE 35 -3.521 -3.768 -8.286 284 HZ PHE 35 HZ PHE 35 -2.036 -2.041 -9.218 285 H ALA 36 H ALA 36 -4.604 -0.757 -1.706 286 HA ALA 36 HA ALA 36 -4.271 -2.565 0.459 287 1HB ALA 36 1HB ALA 36 -5.342 0.257 0.479 288 2HB ALA 36 2HB ALA 36 -4.792 -0.652 1.886 289 3HB ALA 36 3HB ALA 36 -3.646 -0.206 0.623 290 H LYS 37 H LYS 37 -7.060 -1.054 -1.063 291 HA LYS 37 HA LYS 37 -9.032 -1.940 0.729 292 1HB LYS 37 1HB LYS 37 -9.119 -1.204 -2.190 293 2HB LYS 37 2HB LYS 37 -10.561 -1.675 -1.300 294 1HG LYS 37 1HG LYS 37 -10.304 0.174 0.201 295 2HG LYS 37 2HG LYS 37 -8.757 0.602 -0.523 296 1HD LYS 37 1HD LYS 37 -10.416 2.103 -1.372 297 2HD LYS 37 2HD LYS 37 -9.946 1.013 -2.672 298 1HE LYS 37 1HE LYS 37 -12.362 0.516 -0.955 299 2HE LYS 37 2HE LYS 37 -12.430 1.522 -2.399 300 1HZ LYS 37 1HZ LYS 37 -13.063 -0.598 -3.092 301 2HZ LYS 37 2HZ LYS 37 -11.453 -0.471 -3.597 302 3HZ LYS 37 3HZ LYS 37 -11.844 -1.375 -2.213 303 H GLN 38 H GLN 38 -7.754 -3.421 -2.228 304 HA GLN 38 HA GLN 38 -9.411 -5.692 -2.214 305 1HB GLN 38 1HB GLN 38 -6.655 -5.233 -3.345 306 2HB GLN 38 2HB GLN 38 -7.524 -6.745 -3.558 307 1HG GLN 38 1HG GLN 38 -9.287 -5.632 -4.745 308 2HG GLN 38 2HG GLN 38 -8.562 -4.059 -4.418 309 1HE2 GLN 38 2HE2 GLN 38 -6.751 -3.424 -5.561 310 2HE2 GLN 38 1HE2 GLN 38 -6.243 -4.224 -7.011 311 H TRP 39 H TRP 39 -6.384 -4.997 -0.574 312 HA TRP 39 HA TRP 39 -5.972 -7.571 0.516 313 1HB TRP 39 1HB TRP 39 -4.211 -5.863 0.516 314 2HB TRP 39 2HB TRP 39 -5.169 -4.854 1.595 315 HD1 TRP 39 HD1 TRP 39 -3.546 -8.383 1.654 316 HE1 TRP 39 HE1 TRP 39 -2.729 -8.839 4.053 317 HE3 TRP 39 HE3 TRP 39 -5.200 -4.099 3.898 318 HZ2 TRP 39 HZ2 TRP 39 -2.771 -7.544 6.560 319 HZ3 TRP 39 HZ3 TRP 39 -4.763 -3.782 6.298 320 HH2 TRP 39 HH2 TRP 39 -3.575 -5.471 7.601 321 H LEU 40 H LEU 40 -7.706 -4.713 1.668 322 HA LEU 40 HA LEU 40 -8.612 -5.796 4.106 323 1HB LEU 40 1HB LEU 40 -9.850 -3.677 2.347 324 2HB LEU 40 2HB LEU 40 -10.367 -4.037 3.983 325 HG LEU 40 HG LEU 40 -7.634 -3.009 3.212 326 1HD1 LEU 40 1HD1 LEU 40 -9.964 -1.610 4.518 327 2HD1 LEU 40 2HD1 LEU 40 -8.361 -0.925 4.256 328 3HD1 LEU 40 3HD1 LEU 40 -9.380 -1.338 2.877 329 1HD2 LEU 40 1HD2 LEU 40 -8.889 -3.423 5.924 330 2HD2 LEU 40 2HD2 LEU 40 -7.614 -4.417 5.218 331 3HD2 LEU 40 3HD2 LEU 40 -7.301 -2.726 5.607 332 H SER 41 H SER 41 -9.981 -5.823 0.846 333 HA SER 41 HA SER 41 -12.466 -6.954 1.431 334 1HB SER 41 1HB SER 41 -10.782 -7.340 -1.055 335 2HB SER 41 2HB SER 41 -12.513 -7.643 -0.924 336 HG SER 41 HG SER 41 -12.758 -5.403 -0.399 337 H SER 42 H SER 42 -9.358 -8.503 0.740 338 HA SER 42 HA SER 42 -10.481 -11.119 0.675 339 1HB SER 42 1HB SER 42 -7.896 -11.674 0.881 340 2HB SER 42 2HB SER 42 -8.590 -11.051 -0.616 341 HG SER 42 HG SER 42 -7.718 -9.104 -0.245 342 H ILE 43 H ILE 43 -9.141 -9.119 3.212 343 HA ILE 43 HA ILE 43 -9.084 -11.397 5.028 344 HB ILE 43 HB ILE 43 -8.344 -9.762 6.755 345 1HG1 ILE 43 1HG1 ILE 43 -8.269 -7.844 4.416 346 2HG1 ILE 43 2HG1 ILE 43 -9.347 -7.734 5.803 347 1HG2 ILE 43 1HG2 ILE 43 -6.739 -11.085 5.527 348 2HG2 ILE 43 2HG2 ILE 43 -6.719 -9.897 4.223 349 3HG2 ILE 43 3HG2 ILE 43 -6.093 -9.469 5.816 350 1HD1 ILE 43 1HD1 ILE 43 -7.433 -7.384 7.268 351 2HD1 ILE 43 2HD1 ILE 43 -6.347 -7.509 5.884 352 3HD1 ILE 43 3HD1 ILE 43 -7.495 -6.174 5.986 353 H GLY 44 H GLY 44 -11.093 -8.612 4.326 354 1HA GLY 44 1HA GLY 44 -13.456 -8.785 4.763 355 2HA GLY 44 2HA GLY 44 -13.080 -9.727 6.198 356 H GLU 45 H GLU 45 -11.043 -7.060 5.757 357 HA GLU 45 HA GLU 45 -12.355 -5.734 8.012 358 1HB GLU 45 1HB GLU 45 -9.545 -5.898 7.033 359 2HB GLU 45 2HB GLU 45 -10.029 -4.463 7.924 360 1HG GLU 45 1HG GLU 45 -8.987 -6.177 9.342 361 2HG GLU 45 2HG GLU 45 -10.631 -5.781 9.836 362 H GLU 46 H GLU 46 -13.272 -5.406 5.216 363 HA GLU 46 HA GLU 46 -12.569 -2.716 4.507 364 1HB GLU 46 1HB GLU 46 -14.591 -4.675 3.502 365 2HB GLU 46 2HB GLU 46 -14.722 -2.981 3.051 366 1HG GLU 46 1HG GLU 46 -12.304 -3.170 2.291 367 2HG GLU 46 2HG GLU 46 -12.525 -4.915 2.430 368 H GLY 47 H GLY 47 -14.931 -1.479 3.925 369 1HA GLY 47 1HA GLY 47 -16.838 -0.528 4.984 370 2HA GLY 47 2HA GLY 47 -16.270 -1.173 6.521 371 H ALA 48 H ALA 48 -13.540 -0.304 6.104 372 HA ALA 48 HA ALA 48 -13.732 2.369 7.078 373 1HB ALA 48 1HB ALA 48 -11.301 0.805 6.205 374 2HB ALA 48 2HB ALA 48 -11.289 2.315 7.118 375 3HB ALA 48 3HB ALA 48 -11.968 0.855 7.838 376 H THR 49 H THR 49 -13.789 4.188 5.948 377 HA THR 49 HA THR 49 -13.761 4.075 3.085 378 HB THR 49 HB THR 49 -13.976 6.505 4.873 379 HG1 THR 49 HG1 THR 49 -15.920 4.683 3.841 380 1HG2 THR 49 1HG2 THR 49 -13.445 7.036 2.541 381 2HG2 THR 49 2HG2 THR 49 -14.802 6.048 2.001 382 3HG2 THR 49 3HG2 THR 49 -15.096 7.514 2.935 383 H VAL 50 H VAL 50 -11.653 3.503 2.551 384 HA VAL 50 HA VAL 50 -9.430 5.143 3.357 385 HB VAL 50 HB VAL 50 -9.530 3.007 1.218 386 1HG1 VAL 50 1HG1 VAL 50 -7.630 4.496 0.956 387 2HG1 VAL 50 2HG1 VAL 50 -7.197 4.274 2.651 388 3HG1 VAL 50 3HG1 VAL 50 -7.095 2.917 1.529 389 1HG2 VAL 50 1HG2 VAL 50 -8.582 1.517 2.907 390 2HG2 VAL 50 2HG2 VAL 50 -8.700 2.800 4.112 391 3HG2 VAL 50 3HG2 VAL 50 -10.165 2.117 3.404 392 H THR 51 H THR 51 -9.489 7.160 2.613 393 HA THR 51 HA THR 51 -9.856 7.585 -0.279 394 HB THR 51 HB THR 51 -10.345 9.940 0.291 395 HG1 THR 51 HG1 THR 51 -10.829 9.660 2.925 396 1HG2 THR 51 1HG2 THR 51 -12.536 9.596 1.338 397 2HG2 THR 51 2HG2 THR 51 -12.215 8.370 0.111 398 3HG2 THR 51 3HG2 THR 51 -12.050 7.970 1.821 399 H SER 52 H SER 52 -8.644 9.879 -0.755 400 HA SER 52 HA SER 52 -5.863 9.392 -0.453 401 1HB SER 52 1HB SER 52 -5.761 11.807 -1.416 402 2HB SER 52 2HB SER 52 -6.423 10.518 -2.422 403 HG SER 52 HG SER 52 -8.390 11.331 -2.232 404 H GLU 53 H GLU 53 -8.029 10.451 1.764 405 HA GLU 53 HA GLU 53 -6.193 12.236 3.160 406 1HB GLU 53 1HB GLU 53 -8.657 12.672 3.144 407 2HB GLU 53 2HB GLU 53 -8.891 11.175 4.034 408 1HG GLU 53 1HG GLU 53 -7.503 12.098 5.863 409 2HG GLU 53 2HG GLU 53 -7.414 13.621 4.977 410 H GLU 54 H GLU 54 -7.296 8.953 3.120 411 HA GLU 54 HA GLU 54 -6.167 8.322 5.720 412 1HB GLU 54 1HB GLU 54 -7.424 6.481 3.676 413 2HB GLU 54 2HB GLU 54 -7.053 6.086 5.348 414 1HG GLU 54 1HG GLU 54 -9.019 8.198 4.497 415 2HG GLU 54 2HG GLU 54 -9.449 6.540 4.904 416 H CYS 55 H CYS 55 -5.348 8.085 2.347 417 HA CYS 55 HA CYS 55 -2.991 6.472 3.027 418 1HB CYS 55 1HB CYS 55 -2.779 6.038 0.621 419 2HB CYS 55 2HB CYS 55 -4.370 5.569 1.211 420 HG CYS 55 HG CYS 55 -3.942 8.626 -0.205 421 H ARG 56 H ARG 56 -1.270 7.618 3.501 422 HA ARG 56 HA ARG 56 -0.894 10.261 2.299 423 1HB ARG 56 1HB ARG 56 -0.737 10.112 4.737 424 2HB ARG 56 2HB ARG 56 0.521 8.893 4.598 425 1HG ARG 56 1HG ARG 56 1.977 10.552 3.510 426 2HG ARG 56 2HG ARG 56 0.720 11.770 3.733 427 1HD ARG 56 1HD ARG 56 2.346 11.991 5.489 428 2HD ARG 56 2HD ARG 56 0.837 11.388 6.171 429 HE ARG 56 HE ARG 56 2.118 9.105 5.814 430 1HH1 ARG 56 1HH1 ARG 56 3.332 12.144 7.020 431 2HH1 ARG 56 2HH1 ARG 56 4.492 11.423 8.090 432 1HH2 ARG 56 1HH2 ARG 56 3.665 8.113 7.219 433 2HH2 ARG 56 2HH2 ARG 56 4.709 9.134 8.175 434 H PHE 57 H PHE 57 -0.023 9.929 0.289 435 HA PHE 57 HA PHE 57 2.038 8.043 -0.232 436 1HB PHE 57 1HB PHE 57 0.637 8.882 -2.048 437 2HB PHE 57 2HB PHE 57 1.226 10.519 -1.777 438 HD1 PHE 57 HD1 PHE 57 2.863 7.178 -2.165 439 HD2 PHE 57 HD2 PHE 57 2.594 11.219 -3.471 440 HE1 PHE 57 HE1 PHE 57 4.691 6.779 -3.763 441 HE2 PHE 57 HE2 PHE 57 4.420 10.827 -5.071 442 HZ PHE 57 HZ PHE 57 5.471 8.605 -5.219 443 H CYS 58 H CYS 58 3.975 8.144 0.664 444 HA CYS 58 HA CYS 58 5.039 10.598 1.698 445 1HB CYS 58 1HB CYS 58 6.345 7.881 1.434 446 2HB CYS 58 2HB CYS 58 6.935 9.221 2.411 447 HG CYS 58 HG CYS 58 5.441 6.891 3.669 448 H HIS 59 H HIS 59 6.483 8.242 -0.547 449 HA HIS 59 HA HIS 59 6.915 9.929 -2.699 450 1HB HIS 59 1HB HIS 59 9.254 10.552 -2.531 451 2HB HIS 59 2HB HIS 59 8.393 11.202 -1.146 452 HD1 HIS 59 HD1 HIS 59 11.469 9.719 -1.916 453 HD2 HIS 59 HD2 HIS 59 8.731 9.173 1.163 454 HE1 HIS 59 HE1 HIS 59 12.761 8.656 -0.042 455 HE2 HIS 59 HE2 HIS 59 11.028 8.115 1.704 456 H SER 60 H SER 60 9.313 9.007 -3.715 457 HA SER 60 HA SER 60 9.013 6.085 -3.569 458 1HB SER 60 1HB SER 60 8.600 7.196 -5.802 459 2HB SER 60 2HB SER 60 10.298 7.668 -5.806 460 HG SER 60 HG SER 60 9.693 4.984 -5.330 461 H GLU 61 H GLU 61 10.612 4.993 -2.613 462 HA GLU 61 HA GLU 61 13.281 6.234 -2.544 463 1HB GLU 61 1HB GLU 61 13.554 5.014 -0.304 464 2HB GLU 61 2HB GLU 61 12.584 6.480 -0.325 465 1HG GLU 61 1HG GLU 61 11.055 4.028 -0.770 466 2HG GLU 61 2HG GLU 61 11.850 4.118 0.802 467 H LYS 62 H LYS 62 14.919 4.419 -1.723 468 HA LYS 62 HA LYS 62 14.891 2.529 -3.891 469 1HB LYS 62 1HB LYS 62 16.862 2.884 -1.629 470 2HB LYS 62 2HB LYS 62 17.108 1.874 -3.049 471 1HG LYS 62 1HG LYS 62 17.047 3.821 -4.483 472 2HG LYS 62 2HG LYS 62 16.705 4.851 -3.096 473 1HD LYS 62 1HD LYS 62 18.871 4.187 -2.112 474 2HD LYS 62 2HD LYS 62 19.206 3.227 -3.554 475 1HE LYS 62 1HE LYS 62 18.832 6.216 -3.412 476 2HE LYS 62 2HE LYS 62 20.339 5.354 -3.716 477 1HZ LYS 62 1HZ LYS 62 19.508 6.125 -5.785 478 2HZ LYS 62 2HZ LYS 62 19.263 4.450 -5.757 479 3HZ LYS 62 3HZ LYS 62 17.962 5.504 -5.485 480 H ALA 63 H ALA 63 14.108 0.577 -3.845 481 HA ALA 63 HA ALA 63 13.512 -0.671 -1.247 482 1HB ALA 63 1HB ALA 63 11.890 -2.036 -2.486 483 2HB ALA 63 2HB ALA 63 11.561 -0.311 -2.619 484 3HB ALA 63 3HB ALA 63 12.312 -1.170 -3.962 485 HA PRO 64 HA PRO 64 16.257 -4.061 -2.326 486 1HB PRO 64 1HB PRO 64 14.588 -5.849 -0.745 487 2HB PRO 64 2HB PRO 64 16.219 -5.269 -0.404 488 1HG PRO 64 1HG PRO 64 14.045 -4.514 1.040 489 2HG PRO 64 2HG PRO 64 15.470 -3.484 0.820 490 1HD PRO 64 1HD PRO 64 12.823 -3.386 -0.576 491 2HD PRO 64 2HD PRO 64 13.846 -2.050 0.002 492 H ASP 65 H ASP 65 16.263 -5.772 -3.749 493 HA ASP 65 HA ASP 65 14.187 -5.980 -5.620 494 1HB ASP 65 1HB ASP 65 16.681 -7.520 -5.057 495 2HB ASP 65 2HB ASP 65 15.501 -8.214 -6.161 496 H GLU 66 H GLU 66 14.674 -7.531 -2.610 497 HA GLU 66 HA GLU 66 13.306 -9.924 -2.865 498 1HB GLU 66 1HB GLU 66 13.064 -8.138 -0.451 499 2HB GLU 66 2HB GLU 66 13.034 -9.893 -0.504 500 1HG GLU 66 1HG GLU 66 15.408 -8.117 -1.002 501 2HG GLU 66 2HG GLU 66 15.119 -9.128 0.413 502 H VAL 67 H VAL 67 12.013 -6.692 -2.151 503 HA VAL 67 HA VAL 67 9.315 -7.766 -2.010 504 HB VAL 67 HB VAL 67 8.613 -5.530 -1.342 505 1HG1 VAL 67 1HG1 VAL 67 9.857 -5.364 0.761 506 2HG1 VAL 67 2HG1 VAL 67 9.443 -7.034 0.375 507 3HG1 VAL 67 3HG1 VAL 67 11.087 -6.452 0.114 508 1HG2 VAL 67 1HG2 VAL 67 11.495 -4.733 -1.753 509 2HG2 VAL 67 2HG2 VAL 67 10.119 -4.200 -2.720 510 3HG2 VAL 67 3HG2 VAL 67 10.243 -3.725 -1.025 511 H ILE 68 H ILE 68 11.364 -6.310 -4.306 512 HA ILE 68 HA ILE 68 9.543 -4.890 -5.896 513 HB ILE 68 HB ILE 68 12.041 -6.369 -6.742 514 1HG1 ILE 68 1HG1 ILE 68 12.522 -4.670 -5.087 515 2HG1 ILE 68 2HG1 ILE 68 13.071 -4.109 -6.663 516 1HG2 ILE 68 1HG2 ILE 68 12.029 -4.895 -8.709 517 2HG2 ILE 68 2HG2 ILE 68 10.624 -5.962 -8.665 518 3HG2 ILE 68 3HG2 ILE 68 10.459 -4.266 -8.211 519 1HD1 ILE 68 1HD1 ILE 68 11.080 -2.713 -6.859 520 2HD1 ILE 68 2HD1 ILE 68 10.528 -3.281 -5.283 521 3HD1 ILE 68 3HD1 ILE 68 12.006 -2.326 -5.408 522 H GLU 69 H GLU 69 10.638 -8.260 -6.107 523 HA GLU 69 HA GLU 69 9.111 -9.014 -8.319 524 1HB GLU 69 1HB GLU 69 10.174 -10.598 -5.987 525 2HB GLU 69 2HB GLU 69 9.354 -11.347 -7.350 526 1HG GLU 69 1HG GLU 69 11.816 -9.636 -7.594 527 2HG GLU 69 2HG GLU 69 11.833 -11.396 -7.485 528 H ALA 70 H ALA 70 8.263 -8.805 -4.918 529 HA ALA 70 HA ALA 70 5.809 -10.213 -5.087 530 1HB ALA 70 1HB ALA 70 6.978 -9.829 -2.965 531 2HB ALA 70 2HB ALA 70 6.642 -8.103 -3.098 532 3HB ALA 70 3HB ALA 70 5.313 -9.247 -2.911 533 H ILE 71 H ILE 71 6.675 -6.798 -5.372 534 HA ILE 71 HA ILE 71 4.025 -5.818 -5.636 535 HB ILE 71 HB ILE 71 6.583 -4.599 -6.703 536 1HG1 ILE 71 1HG1 ILE 71 5.175 -4.120 -4.067 537 2HG1 ILE 71 2HG1 ILE 71 6.633 -5.088 -4.261 538 1HG2 ILE 71 1HG2 ILE 71 3.906 -3.352 -6.081 539 2HG2 ILE 71 2HG2 ILE 71 5.355 -2.478 -6.578 540 3HG2 ILE 71 3HG2 ILE 71 4.586 -3.614 -7.688 541 1HD1 ILE 71 1HD1 ILE 71 7.843 -3.125 -5.028 542 2HD1 ILE 71 2HD1 ILE 71 6.379 -2.154 -4.870 543 3HD1 ILE 71 3HD1 ILE 71 7.129 -2.854 -3.437 544 H LYS 72 H LYS 72 6.376 -7.101 -7.876 545 HA LYS 72 HA LYS 72 4.986 -6.396 -10.258 546 1HB LYS 72 1HB LYS 72 7.077 -8.501 -9.695 547 2HB LYS 72 2HB LYS 72 6.502 -8.082 -11.305 548 1HG LYS 72 1HG LYS 72 7.375 -5.892 -11.133 549 2HG LYS 72 2HG LYS 72 7.736 -6.096 -9.422 550 1HD LYS 72 1HD LYS 72 9.746 -6.273 -10.829 551 2HD LYS 72 2HD LYS 72 9.415 -7.759 -9.939 552 1HE LYS 72 1HE LYS 72 8.373 -8.707 -11.955 553 2HE LYS 72 2HE LYS 72 8.770 -7.231 -12.837 554 1HZ LYS 72 1HZ LYS 72 10.763 -9.019 -11.545 555 2HZ LYS 72 2HZ LYS 72 10.384 -9.026 -13.200 556 3HZ LYS 72 3HZ LYS 72 11.096 -7.656 -12.502 557 H GLN 73 H GLN 73 4.923 -9.126 -8.093 558 HA GLN 73 HA GLN 73 3.303 -10.733 -9.865 559 1HB GLN 73 1HB GLN 73 5.000 -11.707 -8.312 560 2HB GLN 73 2HB GLN 73 3.976 -11.234 -6.965 561 1HG GLN 73 1HG GLN 73 3.708 -13.594 -7.537 562 2HG GLN 73 2HG GLN 73 2.209 -12.687 -7.750 563 1HE2 GLN 73 2HE2 GLN 73 4.871 -12.482 -9.994 564 2HE2 GLN 73 1HE2 GLN 73 4.081 -13.296 -11.306 565 H ASN 74 H ASN 74 2.801 -9.290 -6.637 566 HA ASN 74 HA ASN 74 -0.011 -9.965 -6.700 567 1HB ASN 74 1HB ASN 74 1.597 -8.346 -4.711 568 2HB ASN 74 2HB ASN 74 -0.085 -8.810 -4.499 569 1HD2 ASN 74 2HD2 ASN 74 2.298 -9.411 -2.909 570 2HD2 ASN 74 1HD2 ASN 74 2.369 -11.137 -2.807 571 H GLY 75 H GLY 75 1.991 -7.177 -7.256 572 1HA GLY 75 1HA GLY 75 1.181 -5.299 -8.525 573 2HA GLY 75 2HA GLY 75 -0.415 -5.577 -7.830 574 H TYR 76 H TYR 76 1.316 -6.137 -5.284 575 HA TYR 76 HA TYR 76 2.137 -3.529 -4.440 576 1HB TYR 76 1HB TYR 76 0.394 -3.284 -2.683 577 2HB TYR 76 2HB TYR 76 -0.279 -3.193 -4.307 578 HD1 TYR 76 HD1 TYR 76 -0.186 -5.087 -1.194 579 HD2 TYR 76 HD2 TYR 76 -1.637 -5.054 -5.195 580 HE1 TYR 76 HE1 TYR 76 -1.773 -6.879 -0.630 581 HE2 TYR 76 HE2 TYR 76 -3.227 -6.844 -4.638 582 HH TYR 76 HH TYR 76 -3.892 -7.785 -1.437 583 H PHE 77 H PHE 77 2.990 -3.568 -2.266 584 HA PHE 77 HA PHE 77 3.153 -6.247 -1.052 585 1HB PHE 77 1HB PHE 77 5.331 -5.569 -2.071 586 2HB PHE 77 2HB PHE 77 5.345 -4.156 -1.023 587 HD1 PHE 77 HD1 PHE 77 5.931 -4.333 1.288 588 HD2 PHE 77 HD2 PHE 77 5.598 -7.816 -1.133 589 HE1 PHE 77 HE1 PHE 77 7.036 -5.654 3.044 590 HE2 PHE 77 HE2 PHE 77 6.702 -9.143 0.619 591 HZ PHE 77 HZ PHE 77 7.422 -8.064 2.710 592 H ILE 78 H ILE 78 2.421 -6.327 0.977 593 HA ILE 78 HA ILE 78 1.704 -3.784 2.246 594 HB ILE 78 HB ILE 78 0.794 -6.597 2.888 595 1HG1 ILE 78 1HG1 ILE 78 -0.089 -5.757 0.758 596 2HG1 ILE 78 2HG1 ILE 78 -1.363 -5.882 1.965 597 1HG2 ILE 78 1HG2 ILE 78 -0.842 -5.537 4.373 598 2HG2 ILE 78 2HG2 ILE 78 0.813 -5.200 4.883 599 3HG2 ILE 78 3HG2 ILE 78 -0.121 -3.962 4.040 600 1HD1 ILE 78 1HD1 ILE 78 0.038 -3.353 1.127 601 2HD1 ILE 78 2HD1 ILE 78 -1.587 -3.853 0.658 602 3HD1 ILE 78 3HD1 ILE 78 -1.233 -3.471 2.343 603 H TYR 79 H TYR 79 3.439 -3.068 3.353 604 HA TYR 79 HA TYR 79 4.971 -4.873 5.026 605 1HB TYR 79 1HB TYR 79 6.167 -3.078 3.898 606 2HB TYR 79 2HB TYR 79 5.121 -1.874 4.636 607 HD1 TYR 79 HD1 TYR 79 7.518 -4.583 5.579 608 HD2 TYR 79 HD2 TYR 79 5.831 -0.803 6.566 609 HE1 TYR 79 HE1 TYR 79 9.091 -4.375 7.458 610 HE2 TYR 79 HE2 TYR 79 7.397 -0.588 8.446 611 HH TYR 79 HH TYR 79 8.763 -1.950 9.874 612 H LYS 80 H LYS 80 3.540 -5.618 6.545 613 HA LYS 80 HA LYS 80 1.782 -3.968 8.026 614 1HB LYS 80 1HB LYS 80 2.912 -6.672 8.776 615 2HB LYS 80 2HB LYS 80 1.518 -5.897 9.514 616 1HG LYS 80 1HG LYS 80 0.346 -5.991 7.355 617 2HG LYS 80 2HG LYS 80 1.733 -6.835 6.662 618 1HD LYS 80 1HD LYS 80 1.438 -8.632 8.324 619 2HD LYS 80 2HD LYS 80 0.014 -7.798 8.948 620 1HE LYS 80 1HE LYS 80 -1.023 -7.985 6.709 621 2HE LYS 80 2HE LYS 80 0.376 -8.913 6.169 622 1HZ LYS 80 1HZ LYS 80 -0.138 -10.577 7.864 623 2HZ LYS 80 2HZ LYS 80 -1.499 -9.687 8.344 624 3HZ LYS 80 3HZ LYS 80 -1.434 -10.368 6.792 625 H MET 81 H MET 81 2.730 -2.261 9.007 626 HA MET 81 HA MET 81 5.251 -2.385 10.279 627 1HB MET 81 1HB MET 81 4.421 -0.293 9.382 628 2HB MET 81 2HB MET 81 3.050 -0.330 10.482 629 1HG MET 81 1HG MET 81 4.564 -0.115 12.383 630 2HG MET 81 2HG MET 81 5.942 -0.082 11.285 631 1HE MET 81 1HE MET 81 6.469 1.867 9.619 632 2HE MET 81 2HE MET 81 5.415 3.259 9.362 633 3HE MET 81 3HE MET 81 4.884 1.648 8.876 634 H GLU 82 H GLU 82 2.051 -1.755 11.728 635 HA GLU 82 HA GLU 82 2.688 -3.494 13.966 636 1HB GLU 82 1HB GLU 82 3.658 -1.215 14.481 637 2HB GLU 82 2HB GLU 82 2.019 -0.582 14.446 638 1HG GLU 82 1HG GLU 82 1.395 -1.896 16.338 639 2HG GLU 82 2HG GLU 82 2.925 -2.771 16.299 640 H GLY 83 H GLY 83 0.755 -3.309 11.746 641 1HA GLY 83 1HA GLY 83 -1.766 -2.537 12.951 642 2HA GLY 83 2HA GLY 83 -1.532 -3.156 11.324 643 H CYS 84 H CYS 84 0.015 -5.100 13.595 644 HA CYS 84 HA CYS 84 -2.056 -7.129 13.247 645 1HB CYS 84 1HB CYS 84 0.751 -7.425 14.332 646 2HB CYS 84 2HB CYS 84 -0.345 -8.731 13.895 647 HG CYS 84 HG CYS 84 1.345 -8.817 11.826 648 H ASN 85 H ASN 85 -1.408 -4.828 15.469 649 HA ASN 85 HA ASN 85 -2.377 -6.498 17.694 650 1HB ASN 85 1HB ASN 85 -0.082 -5.881 18.171 651 2HB ASN 85 2HB ASN 85 -0.423 -4.191 17.815 652 1HD2 ASN 85 2HD2 ASN 85 -1.572 -2.961 19.292 653 2HD2 ASN 85 1HD2 ASN 85 -1.809 -3.466 20.935 Start of MODEL 12 1 H MET 1 H MET 1 12.612 0.437 -11.624 2 HA MET 1 HA MET 1 9.673 0.407 -11.307 3 1HB MET 1 1HB MET 1 10.727 -1.814 -11.698 4 2HB MET 1 2HB MET 1 11.785 -1.528 -10.324 5 1HG MET 1 1HG MET 1 9.988 -1.622 -8.799 6 2HG MET 1 2HG MET 1 8.793 -1.540 -10.094 7 1HE MET 1 1HE MET 1 7.471 -3.594 -9.141 8 2HE MET 1 2HE MET 1 8.606 -3.698 -7.794 9 3HE MET 1 3HE MET 1 8.213 -5.140 -8.730 10 H GLN 2 H GLN 2 9.046 1.699 -9.728 11 HA GLN 2 HA GLN 2 10.925 2.345 -7.565 12 1HB GLN 2 1HB GLN 2 10.191 4.756 -7.766 13 2HB GLN 2 2HB GLN 2 11.233 4.175 -9.056 14 1HG GLN 2 1HG GLN 2 8.303 4.017 -9.485 15 2HG GLN 2 2HG GLN 2 9.049 5.613 -9.507 16 1HE2 GLN 2 2HE2 GLN 2 8.537 5.846 -11.698 17 2HE2 GLN 2 1HE2 GLN 2 9.432 5.025 -12.928 18 H ILE 3 H ILE 3 10.006 2.409 -5.598 19 HA ILE 3 HA ILE 3 7.153 1.825 -5.512 20 HB ILE 3 HB ILE 3 7.570 1.298 -3.095 21 1HG1 ILE 3 1HG1 ILE 3 10.481 1.502 -3.905 22 2HG1 ILE 3 2HG1 ILE 3 9.649 2.656 -2.871 23 1HG2 ILE 3 1HG2 ILE 3 8.613 -0.856 -3.571 24 2HG2 ILE 3 2HG2 ILE 3 7.432 -0.420 -4.805 25 3HG2 ILE 3 3HG2 ILE 3 9.155 -0.248 -5.136 26 1HD1 ILE 3 1HD1 ILE 3 10.110 -0.253 -2.264 27 2HD1 ILE 3 2HD1 ILE 3 10.981 1.112 -1.567 28 3HD1 ILE 3 3HD1 ILE 3 9.264 0.894 -1.224 29 H HIS 4 H HIS 4 5.745 3.337 -5.147 30 HA HIS 4 HA HIS 4 6.456 5.765 -3.714 31 1HB HIS 4 1HB HIS 4 3.928 4.798 -5.054 32 2HB HIS 4 2HB HIS 4 3.952 6.246 -4.054 33 HD1 HIS 4 HD1 HIS 4 3.752 8.102 -5.691 34 HD2 HIS 4 HD2 HIS 4 6.553 5.263 -6.879 35 HE1 HIS 4 HE1 HIS 4 4.846 9.047 -7.743 36 HE2 HIS 4 HE2 HIS 4 6.692 7.427 -8.299 37 H VAL 5 H VAL 5 6.506 5.732 -1.580 38 HA VAL 5 HA VAL 5 5.222 3.592 -0.112 39 HB VAL 5 HB VAL 5 6.822 5.915 0.978 40 1HG1 VAL 5 1HG1 VAL 5 7.187 4.438 2.899 41 2HG1 VAL 5 2HG1 VAL 5 5.476 4.781 2.652 42 3HG1 VAL 5 3HG1 VAL 5 6.144 3.226 2.158 43 1HG2 VAL 5 1HG2 VAL 5 8.143 4.673 -0.654 44 2HG2 VAL 5 2HG2 VAL 5 8.744 4.406 0.983 45 3HG2 VAL 5 3HG2 VAL 5 7.777 3.165 0.184 46 H TYR 6 H TYR 6 3.130 3.780 0.330 47 HA TYR 6 HA TYR 6 2.067 6.407 1.082 48 1HB TYR 6 1HB TYR 6 0.691 3.867 0.208 49 2HB TYR 6 2HB TYR 6 -0.177 5.261 0.842 50 HD1 TYR 6 HD1 TYR 6 -0.284 7.349 -0.446 51 HD2 TYR 6 HD2 TYR 6 1.614 3.877 -2.011 52 HE1 TYR 6 HE1 TYR 6 -0.368 8.326 -2.701 53 HE2 TYR 6 HE2 TYR 6 1.537 4.847 -4.267 54 HH TYR 6 HH TYR 6 0.115 6.549 -5.484 55 H ASP 7 H ASP 7 2.012 6.829 3.139 56 HA ASP 7 HA ASP 7 2.082 4.795 5.183 57 1HB ASP 7 1HB ASP 7 3.220 7.075 5.287 58 2HB ASP 7 2HB ASP 7 1.622 7.767 5.526 59 H THR 8 H THR 8 0.198 3.644 5.182 60 HA THR 8 HA THR 8 -2.306 5.098 4.806 61 HB THR 8 HB THR 8 -1.875 2.109 4.829 62 HG1 THR 8 HG1 THR 8 -0.677 3.332 3.175 63 1HG2 THR 8 1HG2 THR 8 -4.105 3.823 3.720 64 2HG2 THR 8 2HG2 THR 8 -3.980 2.072 3.562 65 3HG2 THR 8 3HG2 THR 8 -4.202 2.799 5.154 66 H TYR 9 H TYR 9 -3.280 5.776 6.574 67 HA TYR 9 HA TYR 9 -3.254 4.074 8.979 68 1HB TYR 9 1HB TYR 9 -3.357 7.025 8.568 69 2HB TYR 9 2HB TYR 9 -4.251 6.365 9.934 70 HD1 TYR 9 HD1 TYR 9 -0.869 6.058 8.366 71 HD2 TYR 9 HD2 TYR 9 -3.154 6.230 11.949 72 HE1 TYR 9 HE1 TYR 9 1.199 5.966 9.686 73 HE2 TYR 9 HE2 TYR 9 -1.088 6.142 13.278 74 HH TYR 9 HH TYR 9 2.008 6.551 11.883 75 H VAL 10 H VAL 10 -4.975 2.763 8.843 76 HA VAL 10 HA VAL 10 -7.584 3.966 8.178 77 HB VAL 10 HB VAL 10 -6.837 1.033 8.202 78 1HG1 VAL 10 1HG1 VAL 10 -9.197 1.417 8.658 79 2HG1 VAL 10 2HG1 VAL 10 -9.324 2.437 7.224 80 3HG1 VAL 10 3HG1 VAL 10 -8.983 0.715 7.054 81 1HG2 VAL 10 1HG2 VAL 10 -6.915 1.152 5.763 82 2HG2 VAL 10 2HG2 VAL 10 -7.212 2.889 5.853 83 3HG2 VAL 10 3HG2 VAL 10 -5.676 2.226 6.412 84 H LYS 11 H LYS 11 -8.665 4.533 9.953 85 HA LYS 11 HA LYS 11 -8.282 3.100 12.452 86 1HB LYS 11 1HB LYS 11 -10.138 5.393 11.761 87 2HB LYS 11 2HB LYS 11 -9.859 4.759 13.378 88 1HG LYS 11 1HG LYS 11 -7.492 5.413 13.205 89 2HG LYS 11 2HG LYS 11 -7.818 6.097 11.611 90 1HD LYS 11 1HD LYS 11 -9.431 7.649 12.620 91 2HD LYS 11 2HD LYS 11 -9.075 6.973 14.210 92 1HE LYS 11 1HE LYS 11 -7.832 9.013 13.936 93 2HE LYS 11 2HE LYS 11 -6.712 7.653 13.925 94 1HZ LYS 11 1HZ LYS 11 -6.774 7.774 11.456 95 2HZ LYS 11 2HZ LYS 11 -7.680 9.194 11.579 96 3HZ LYS 11 3HZ LYS 11 -6.097 9.145 12.188 97 H ALA 12 H ALA 12 -9.211 1.171 12.543 98 HA ALA 12 HA ALA 12 -11.526 0.547 10.951 99 1HB ALA 12 1HB ALA 12 -9.698 -1.047 11.182 100 2HB ALA 12 2HB ALA 12 -10.000 -1.151 12.915 101 3HB ALA 12 3HB ALA 12 -11.214 -1.725 11.774 102 H LYS 13 H LYS 13 -13.246 -0.866 12.014 103 HA LYS 13 HA LYS 13 -14.768 0.793 13.704 104 1HB LYS 13 1HB LYS 13 -15.708 -0.803 12.065 105 2HB LYS 13 2HB LYS 13 -15.151 -2.138 13.062 106 1HG LYS 13 1HG LYS 13 -17.489 -1.808 13.432 107 2HG LYS 13 2HG LYS 13 -16.613 -1.334 14.886 108 1HD LYS 13 1HD LYS 13 -16.838 0.995 14.325 109 2HD LYS 13 2HD LYS 13 -17.554 0.589 12.764 110 1HE LYS 13 1HE LYS 13 -18.747 -0.040 15.464 111 2HE LYS 13 2HE LYS 13 -19.248 1.275 14.402 112 1HZ LYS 13 1HZ LYS 13 -19.424 -1.632 13.805 113 2HZ LYS 13 2HZ LYS 13 -20.718 -0.596 14.145 114 3HZ LYS 13 3HZ LYS 13 -19.827 -0.397 12.718 115 H ASP 14 H ASP 14 -12.557 -1.790 14.336 116 HA ASP 14 HA ASP 14 -13.344 -2.499 16.947 117 1HB ASP 14 1HB ASP 14 -10.676 -2.636 15.543 118 2HB ASP 14 2HB ASP 14 -10.939 -3.276 17.158 119 H GLY 15 H GLY 15 -12.127 0.438 15.859 120 1HA GLY 15 1HA GLY 15 -11.222 2.255 16.983 121 2HA GLY 15 2HA GLY 15 -11.347 1.334 18.482 122 H HIS 16 H HIS 16 -9.833 0.093 15.650 123 HA HIS 16 HA HIS 16 -7.229 0.128 17.019 124 1HB HIS 16 1HB HIS 16 -8.381 -2.101 16.733 125 2HB HIS 16 2HB HIS 16 -8.222 -1.885 14.999 126 HD1 HIS 16 HD1 HIS 16 -6.105 -2.366 18.087 127 HD2 HIS 16 HD2 HIS 16 -5.826 -2.675 13.954 128 HE1 HIS 16 HE1 HIS 16 -3.917 -3.524 17.644 129 HE2 HIS 16 HE2 HIS 16 -3.919 -3.935 15.156 130 H VAL 17 H VAL 17 -5.458 0.718 15.846 131 HA VAL 17 HA VAL 17 -6.084 2.226 13.421 132 HB VAL 17 HB VAL 17 -3.544 2.301 15.054 133 1HG1 VAL 17 1HG1 VAL 17 -4.635 4.197 12.980 134 2HG1 VAL 17 2HG1 VAL 17 -3.151 4.423 13.905 135 3HG1 VAL 17 3HG1 VAL 17 -3.283 3.086 12.763 136 1HG2 VAL 17 1HG2 VAL 17 -5.934 4.139 15.184 137 2HG2 VAL 17 2HG2 VAL 17 -5.439 2.990 16.427 138 3HG2 VAL 17 3HG2 VAL 17 -4.408 4.367 16.040 139 H MET 18 H MET 18 -5.953 0.959 11.693 140 HA MET 18 HA MET 18 -3.814 -0.986 11.404 141 1HB MET 18 1HB MET 18 -6.032 -0.184 9.502 142 2HB MET 18 2HB MET 18 -4.916 -1.520 9.260 143 1HG MET 18 1HG MET 18 -6.827 -1.319 11.573 144 2HG MET 18 2HG MET 18 -7.166 -2.182 10.073 145 1HE MET 18 1HE MET 18 -4.511 -5.035 10.125 146 2HE MET 18 2HE MET 18 -4.409 -3.467 9.325 147 3HE MET 18 3HE MET 18 -5.922 -4.372 9.299 148 H HIS 19 H HIS 19 -1.893 0.099 11.115 149 HA HIS 19 HA HIS 19 -1.821 1.860 8.773 150 1HB HIS 19 1HB HIS 19 -0.119 3.277 9.863 151 2HB HIS 19 2HB HIS 19 -1.681 3.338 10.658 152 HD1 HIS 19 HD1 HIS 19 1.839 2.934 11.327 153 HD2 HIS 19 HD2 HIS 19 -1.704 1.713 13.127 154 HE1 HIS 19 HE1 HIS 19 2.443 2.396 13.706 155 HE2 HIS 19 HE2 HIS 19 0.311 1.537 14.749 156 H PHE 20 H PHE 20 -0.543 1.249 7.280 157 HA PHE 20 HA PHE 20 1.876 -0.253 7.864 158 1HB PHE 20 1HB PHE 20 1.176 -1.945 6.070 159 2HB PHE 20 2HB PHE 20 0.396 -2.087 7.641 160 HD1 PHE 20 HD1 PHE 20 -1.946 -1.526 7.923 161 HD2 PHE 20 HD2 PHE 20 -0.065 -1.251 4.114 162 HE1 PHE 20 HE1 PHE 20 -4.155 -1.410 6.845 163 HE2 PHE 20 HE2 PHE 20 -2.270 -1.135 3.029 164 HZ PHE 20 HZ PHE 20 -4.320 -1.212 4.395 165 H ASP 21 H ASP 21 3.174 -0.574 5.837 166 HA ASP 21 HA ASP 21 2.992 1.888 4.262 167 1HB ASP 21 1HB ASP 21 5.247 -0.121 4.451 168 2HB ASP 21 2HB ASP 21 5.305 1.412 3.594 169 H VAL 22 H VAL 22 1.959 1.768 2.410 170 HA VAL 22 HA VAL 22 1.831 -0.760 0.961 171 HB VAL 22 HB VAL 22 0.517 1.883 0.294 172 1HG1 VAL 22 1HG1 VAL 22 0.794 0.414 -1.640 173 2HG1 VAL 22 2HG1 VAL 22 -0.007 -0.893 -0.769 174 3HG1 VAL 22 3HG1 VAL 22 -0.904 0.567 -1.191 175 1HG2 VAL 22 1HG2 VAL 22 -0.318 1.065 2.406 176 2HG2 VAL 22 2HG2 VAL 22 -1.542 0.834 1.160 177 3HG2 VAL 22 3HG2 VAL 22 -0.583 -0.536 1.716 178 H PHE 23 H PHE 23 3.630 -1.157 -0.165 179 HA PHE 23 HA PHE 23 5.008 0.998 -1.549 180 1HB PHE 23 1HB PHE 23 5.617 -1.964 -1.396 181 2HB PHE 23 2HB PHE 23 6.626 -0.770 -2.206 182 HD1 PHE 23 HD1 PHE 23 7.009 1.392 -0.522 183 HD2 PHE 23 HD2 PHE 23 6.462 -2.677 0.594 184 HE1 PHE 23 HE1 PHE 23 8.212 1.811 1.581 185 HE2 PHE 23 HE2 PHE 23 7.662 -2.262 2.701 186 HZ PHE 23 HZ PHE 23 8.539 -0.019 3.195 187 H THR 24 H THR 24 4.266 1.644 -3.444 188 HA THR 24 HA THR 24 3.100 -0.380 -5.240 189 HB THR 24 HB THR 24 1.826 1.586 -6.238 190 HG1 THR 24 HG1 THR 24 2.575 2.776 -3.751 191 1HG2 THR 24 1HG2 THR 24 0.743 -0.101 -4.843 192 2HG2 THR 24 2HG2 THR 24 1.224 0.779 -3.393 193 3HG2 THR 24 3HG2 THR 24 0.075 1.500 -4.519 194 H ASP 25 H ASP 25 4.290 -0.753 -6.986 195 HA ASP 25 HA ASP 25 6.221 1.153 -7.972 196 1HB ASP 25 1HB ASP 25 6.850 -1.135 -8.197 197 2HB ASP 25 2HB ASP 25 5.307 -1.562 -8.926 198 H VAL 26 H VAL 26 2.984 0.134 -8.669 199 HA VAL 26 HA VAL 26 2.728 1.367 -11.212 200 HB VAL 26 HB VAL 26 0.559 0.734 -9.200 201 1HG1 VAL 26 1HG1 VAL 26 0.397 1.201 -12.174 202 2HG1 VAL 26 2HG1 VAL 26 -0.943 0.733 -11.128 203 3HG1 VAL 26 3HG1 VAL 26 -0.168 2.303 -10.919 204 1HG2 VAL 26 1HG2 VAL 26 1.647 -0.930 -11.469 205 2HG2 VAL 26 2HG2 VAL 26 1.832 -1.258 -9.746 206 3HG2 VAL 26 3HG2 VAL 26 0.235 -1.331 -10.490 207 H ARG 27 H ARG 27 2.872 3.487 -11.561 208 HA ARG 27 HA ARG 27 2.494 5.355 -9.399 209 1HB ARG 27 1HB ARG 27 4.265 5.665 -11.130 210 2HB ARG 27 2HB ARG 27 2.999 5.960 -12.318 211 1HG ARG 27 1HG ARG 27 2.236 7.887 -10.999 212 2HG ARG 27 2HG ARG 27 3.547 7.604 -9.855 213 1HD ARG 27 1HD ARG 27 4.181 9.353 -11.381 214 2HD ARG 27 2HD ARG 27 5.169 7.925 -11.684 215 HE ARG 27 HE ARG 27 3.626 7.482 -13.595 216 1HH1 ARG 27 1HH1 ARG 27 3.937 10.723 -12.311 217 2HH1 ARG 27 2HH1 ARG 27 3.586 11.499 -13.830 218 1HH2 ARG 27 1HH2 ARG 27 3.150 8.479 -15.579 219 2HH2 ARG 27 2HH2 ARG 27 3.148 10.216 -15.706 220 H ASP 28 H ASP 28 0.355 5.099 -8.874 221 HA ASP 28 HA ASP 28 -1.428 6.829 -10.305 222 1HB ASP 28 1HB ASP 28 -1.712 4.649 -11.517 223 2HB ASP 28 2HB ASP 28 -2.213 3.915 -9.998 224 H ASP 29 H ASP 29 -2.922 7.697 -8.889 225 HA ASP 29 HA ASP 29 -2.283 7.217 -6.122 226 1HB ASP 29 1HB ASP 29 -3.564 9.202 -5.642 227 2HB ASP 29 2HB ASP 29 -2.536 9.508 -7.035 228 H LYS 30 H LYS 30 -4.894 6.367 -8.267 229 HA LYS 30 HA LYS 30 -6.641 5.746 -6.012 230 1HB LYS 30 1HB LYS 30 -8.372 5.296 -7.611 231 2HB LYS 30 2HB LYS 30 -7.586 6.798 -8.071 232 1HG LYS 30 1HG LYS 30 -6.284 5.551 -9.760 233 2HG LYS 30 2HG LYS 30 -7.189 4.096 -9.336 234 1HD LYS 30 1HD LYS 30 -9.267 5.181 -9.996 235 2HD LYS 30 2HD LYS 30 -8.384 6.661 -10.383 236 1HE LYS 30 1HE LYS 30 -7.968 3.983 -11.704 237 2HE LYS 30 2HE LYS 30 -8.906 5.314 -12.379 238 1HZ LYS 30 1HZ LYS 30 -6.005 5.449 -11.726 239 2HZ LYS 30 2HZ LYS 30 -6.639 5.188 -13.275 240 3HZ LYS 30 3HZ LYS 30 -6.927 6.655 -12.479 241 H LYS 31 H LYS 31 -4.631 4.170 -8.390 242 HA LYS 31 HA LYS 31 -5.471 1.518 -7.999 243 1HB LYS 31 1HB LYS 31 -2.826 2.701 -8.821 244 2HB LYS 31 2HB LYS 31 -3.071 0.963 -8.700 245 1HG LYS 31 1HG LYS 31 -4.837 2.708 -10.385 246 2HG LYS 31 2HG LYS 31 -3.330 2.021 -10.994 247 1HD LYS 31 1HD LYS 31 -5.568 0.388 -9.799 248 2HD LYS 31 2HD LYS 31 -5.371 0.678 -11.530 249 1HE LYS 31 1HE LYS 31 -3.181 -0.391 -11.469 250 2HE LYS 31 2HE LYS 31 -3.341 -0.645 -9.732 251 1HZ LYS 31 1HZ LYS 31 -5.188 -2.114 -10.116 252 2HZ LYS 31 2HZ LYS 31 -5.149 -1.805 -11.785 253 3HZ LYS 31 3HZ LYS 31 -3.867 -2.630 -11.044 254 H ALA 32 H ALA 32 -3.060 3.476 -6.308 255 HA ALA 32 HA ALA 32 -2.046 1.503 -4.603 256 1HB ALA 32 1HB ALA 32 -1.001 3.693 -4.892 257 2HB ALA 32 2HB ALA 32 -2.358 4.455 -4.063 258 3HB ALA 32 3HB ALA 32 -1.300 3.347 -3.190 259 H ILE 33 H ILE 33 -4.809 3.669 -4.252 260 HA ILE 33 HA ILE 33 -5.546 2.996 -1.635 261 HB ILE 33 HB ILE 33 -7.269 3.900 -3.951 262 1HG1 ILE 33 1HG1 ILE 33 -6.108 5.443 -1.624 263 2HG1 ILE 33 2HG1 ILE 33 -5.447 5.445 -3.254 264 1HG2 ILE 33 1HG2 ILE 33 -8.923 4.538 -2.268 265 2HG2 ILE 33 2HG2 ILE 33 -8.623 2.800 -2.249 266 3HG2 ILE 33 3HG2 ILE 33 -7.915 3.831 -1.007 267 1HD1 ILE 33 1HD1 ILE 33 -7.499 6.464 -4.083 268 2HD1 ILE 33 2HD1 ILE 33 -8.175 6.435 -2.454 269 3HD1 ILE 33 3HD1 ILE 33 -6.767 7.436 -2.807 270 H GLU 34 H GLU 34 -6.610 1.679 -4.751 271 HA GLU 34 HA GLU 34 -8.423 -0.186 -3.667 272 1HB GLU 34 1HB GLU 34 -6.975 -0.315 -6.318 273 2HB GLU 34 2HB GLU 34 -8.425 -1.210 -5.884 274 1HG GLU 34 1HG GLU 34 -8.145 1.756 -6.272 275 2HG GLU 34 2HG GLU 34 -9.082 0.623 -7.244 276 H PHE 35 H PHE 35 -4.985 -0.394 -4.471 277 HA PHE 35 HA PHE 35 -4.624 -3.145 -4.140 278 1HB PHE 35 1HB PHE 35 -2.773 -0.816 -3.665 279 2HB PHE 35 2HB PHE 35 -2.256 -2.479 -3.419 280 HD1 PHE 35 HD1 PHE 35 -1.342 -0.228 -5.432 281 HD2 PHE 35 HD2 PHE 35 -3.787 -3.699 -5.743 282 HE1 PHE 35 HE1 PHE 35 -0.774 -0.409 -7.818 283 HE2 PHE 35 HE2 PHE 35 -3.223 -3.885 -8.131 284 HZ PHE 35 HZ PHE 35 -1.715 -2.239 -9.170 285 H ALA 36 H ALA 36 -4.548 -0.540 -1.731 286 HA ALA 36 HA ALA 36 -3.893 -2.188 0.478 287 1HB ALA 36 1HB ALA 36 -4.626 -0.308 1.858 288 2HB ALA 36 2HB ALA 36 -3.610 0.240 0.525 289 3HB ALA 36 3HB ALA 36 -5.359 0.451 0.444 290 H LYS 37 H LYS 37 -6.934 -1.166 -0.961 291 HA LYS 37 HA LYS 37 -8.654 -2.235 1.004 292 1HB LYS 37 1HB LYS 37 -9.047 -1.565 -1.903 293 2HB LYS 37 2HB LYS 37 -10.353 -2.163 -0.884 294 1HG LYS 37 1HG LYS 37 -10.132 -0.279 0.578 295 2HG LYS 37 2HG LYS 37 -8.731 0.303 -0.313 296 1HD LYS 37 1HD LYS 37 -10.787 1.529 -0.893 297 2HD LYS 37 2HD LYS 37 -10.092 0.686 -2.276 298 1HE LYS 37 1HE LYS 37 -12.476 0.398 -2.296 299 2HE LYS 37 2HE LYS 37 -11.711 -1.145 -1.923 300 1HZ LYS 37 1HZ LYS 37 -12.731 0.655 0.196 301 2HZ LYS 37 2HZ LYS 37 -13.713 -0.505 -0.558 302 3HZ LYS 37 3HZ LYS 37 -12.345 -0.994 0.313 303 H GLN 38 H GLN 38 -7.161 -3.603 -1.847 304 HA GLN 38 HA GLN 38 -8.555 -6.016 -2.001 305 1HB GLN 38 1HB GLN 38 -5.668 -5.407 -2.639 306 2HB GLN 38 2HB GLN 38 -6.454 -6.927 -3.042 307 1HG GLN 38 1HG GLN 38 -8.029 -5.771 -4.468 308 2HG GLN 38 2HG GLN 38 -7.328 -4.218 -4.015 309 1HE2 GLN 38 2HE2 GLN 38 -5.395 -7.067 -4.564 310 2HE2 GLN 38 1HE2 GLN 38 -4.663 -6.533 -6.041 311 H TRP 39 H TRP 39 -5.900 -5.063 0.104 312 HA TRP 39 HA TRP 39 -5.550 -7.672 1.223 313 1HB TRP 39 1HB TRP 39 -3.755 -5.965 1.243 314 2HB TRP 39 2HB TRP 39 -4.718 -4.986 2.345 315 HD1 TRP 39 HD1 TRP 39 -3.401 -8.650 2.345 316 HE1 TRP 39 HE1 TRP 39 -2.547 -9.182 4.713 317 HE3 TRP 39 HE3 TRP 39 -4.448 -4.183 4.606 318 HZ2 TRP 39 HZ2 TRP 39 -2.340 -7.879 7.205 319 HZ3 TRP 39 HZ3 TRP 39 -3.886 -3.909 6.982 320 HH2 TRP 39 HH2 TRP 39 -2.854 -5.720 8.256 321 H LEU 40 H LEU 40 -7.375 -4.787 2.092 322 HA LEU 40 HA LEU 40 -8.348 -5.757 4.572 323 1HB LEU 40 1HB LEU 40 -9.554 -3.731 2.687 324 2HB LEU 40 2HB LEU 40 -10.065 -3.998 4.342 325 HG LEU 40 HG LEU 40 -7.344 -2.999 3.496 326 1HD1 LEU 40 1HD1 LEU 40 -8.069 -0.879 4.477 327 2HD1 LEU 40 2HD1 LEU 40 -9.090 -1.349 3.118 328 3HD1 LEU 40 3HD1 LEU 40 -9.668 -1.563 4.771 329 1HD2 LEU 40 1HD2 LEU 40 -7.232 -4.298 5.548 330 2HD2 LEU 40 2HD2 LEU 40 -7.012 -2.582 5.893 331 3HD2 LEU 40 3HD2 LEU 40 -8.558 -3.359 6.235 332 H SER 41 H SER 41 -9.507 -5.973 1.263 333 HA SER 41 HA SER 41 -12.015 -7.127 1.853 334 1HB SER 41 1HB SER 41 -11.491 -6.033 -0.298 335 2HB SER 41 2HB SER 41 -10.363 -7.332 -0.676 336 HG SER 41 HG SER 41 -11.975 -8.651 -1.107 337 H SER 42 H SER 42 -8.829 -8.534 1.201 338 HA SER 42 HA SER 42 -9.789 -11.201 1.045 339 1HB SER 42 1HB SER 42 -7.297 -11.743 1.441 340 2HB SER 42 2HB SER 42 -7.737 -10.861 -0.021 341 HG SER 42 HG SER 42 -6.849 -9.071 0.755 342 H ILE 43 H ILE 43 -8.433 -9.272 3.710 343 HA ILE 43 HA ILE 43 -8.627 -11.448 5.567 344 HB ILE 43 HB ILE 43 -8.202 -9.791 7.334 345 1HG1 ILE 43 1HG1 ILE 43 -8.257 -7.778 5.077 346 2HG1 ILE 43 2HG1 ILE 43 -9.418 -7.886 6.394 347 1HG2 ILE 43 1HG2 ILE 43 -6.386 -9.537 4.943 348 2HG2 ILE 43 2HG2 ILE 43 -5.958 -9.136 6.606 349 3HG2 ILE 43 3HG2 ILE 43 -6.331 -10.803 6.170 350 1HD1 ILE 43 1HD1 ILE 43 -7.664 -7.323 7.991 351 2HD1 ILE 43 2HD1 ILE 43 -6.495 -7.232 6.674 352 3HD1 ILE 43 3HD1 ILE 43 -7.830 -6.083 6.748 353 H GLY 44 H GLY 44 -10.789 -9.030 4.373 354 1HA GLY 44 1HA GLY 44 -13.134 -9.536 4.422 355 2HA GLY 44 2HA GLY 44 -12.901 -10.294 5.987 356 H GLU 45 H GLU 45 -11.150 -7.501 6.057 357 HA GLU 45 HA GLU 45 -13.177 -6.262 7.730 358 1HB GLU 45 1HB GLU 45 -10.298 -5.485 7.245 359 2HB GLU 45 2HB GLU 45 -11.366 -4.753 8.434 360 1HG GLU 45 1HG GLU 45 -10.480 -7.631 8.405 361 2HG GLU 45 2HG GLU 45 -9.836 -6.363 9.444 362 H GLU 46 H GLU 46 -12.873 -6.256 4.610 363 HA GLU 46 HA GLU 46 -12.665 -3.594 3.765 364 1HB GLU 46 1HB GLU 46 -12.612 -5.465 2.204 365 2HB GLU 46 2HB GLU 46 -14.275 -5.872 2.594 366 1HG GLU 46 1HG GLU 46 -14.161 -4.738 0.471 367 2HG GLU 46 2HG GLU 46 -15.010 -3.738 1.648 368 H GLY 47 H GLY 47 -14.248 -2.045 3.281 369 1HA GLY 47 1HA GLY 47 -16.712 -1.540 3.393 370 2HA GLY 47 2HA GLY 47 -16.665 -2.306 4.978 371 H ALA 48 H ALA 48 -13.902 -1.121 5.300 372 HA ALA 48 HA ALA 48 -14.699 1.320 6.569 373 1HB ALA 48 1HB ALA 48 -12.943 -0.088 7.526 374 2HB ALA 48 2HB ALA 48 -11.936 0.192 6.106 375 3HB ALA 48 3HB ALA 48 -12.341 1.533 7.178 376 H THR 49 H THR 49 -14.084 3.427 5.993 377 HA THR 49 HA THR 49 -13.983 3.854 3.159 378 HB THR 49 HB THR 49 -13.694 6.015 5.232 379 HG1 THR 49 HG1 THR 49 -15.714 5.744 5.831 380 1HG2 THR 49 1HG2 THR 49 -15.042 5.920 2.532 381 2HG2 THR 49 2HG2 THR 49 -14.902 7.335 3.573 382 3HG2 THR 49 3HG2 THR 49 -13.457 6.620 2.860 383 H VAL 50 H VAL 50 -12.069 3.431 2.215 384 HA VAL 50 HA VAL 50 -9.660 4.638 3.391 385 HB VAL 50 HB VAL 50 -9.922 2.441 1.326 386 1HG1 VAL 50 1HG1 VAL 50 -7.405 3.647 2.476 387 2HG1 VAL 50 2HG1 VAL 50 -7.499 2.288 1.354 388 3HG1 VAL 50 3HG1 VAL 50 -8.002 3.897 0.836 389 1HG2 VAL 50 1HG2 VAL 50 -8.828 2.423 4.135 390 2HG2 VAL 50 2HG2 VAL 50 -10.370 1.734 3.620 391 3HG2 VAL 50 3HG2 VAL 50 -8.855 1.052 3.026 392 H THR 51 H THR 51 -9.734 6.703 2.683 393 HA THR 51 HA THR 51 -9.716 7.076 -0.246 394 HB THR 51 HB THR 51 -10.326 9.434 0.170 395 HG1 THR 51 HG1 THR 51 -10.293 8.555 2.881 396 1HG2 THR 51 1HG2 THR 51 -12.096 7.800 -0.276 397 2HG2 THR 51 2HG2 THR 51 -12.230 7.467 1.451 398 3HG2 THR 51 3HG2 THR 51 -12.655 9.060 0.825 399 H SER 52 H SER 52 -8.509 9.449 -0.526 400 HA SER 52 HA SER 52 -5.776 8.898 -0.080 401 1HB SER 52 1HB SER 52 -6.984 11.589 -0.739 402 2HB SER 52 2HB SER 52 -5.361 11.015 -1.123 403 HG SER 52 HG SER 52 -6.235 10.409 -2.939 404 H GLU 53 H GLU 53 -8.154 10.218 1.940 405 HA GLU 53 HA GLU 53 -6.500 11.842 3.597 406 1HB GLU 53 1HB GLU 53 -9.155 10.502 4.129 407 2HB GLU 53 2HB GLU 53 -8.413 11.718 5.152 408 1HG GLU 53 1HG GLU 53 -9.269 12.138 2.301 409 2HG GLU 53 2HG GLU 53 -10.168 12.649 3.730 410 H GLU 54 H GLU 54 -7.205 8.480 3.340 411 HA GLU 54 HA GLU 54 -6.061 7.864 5.953 412 1HB GLU 54 1HB GLU 54 -7.435 6.186 3.851 413 2HB GLU 54 2HB GLU 54 -6.630 5.473 5.241 414 1HG GLU 54 1HG GLU 54 -9.000 5.630 5.639 415 2HG GLU 54 2HG GLU 54 -8.134 6.702 6.734 416 H CYS 55 H CYS 55 -5.492 7.330 2.515 417 HA CYS 55 HA CYS 55 -2.873 6.172 3.116 418 1HB CYS 55 1HB CYS 55 -2.858 5.616 0.665 419 2HB CYS 55 2HB CYS 55 -4.169 4.863 1.569 420 HG CYS 55 HG CYS 55 -6.141 6.575 0.654 421 H ARG 56 H ARG 56 -1.577 7.872 3.608 422 HA ARG 56 HA ARG 56 -1.517 10.156 1.766 423 1HB ARG 56 1HB ARG 56 -0.197 11.280 3.547 424 2HB ARG 56 2HB ARG 56 -1.791 10.772 4.089 425 1HG ARG 56 1HG ARG 56 -0.745 8.765 5.105 426 2HG ARG 56 2HG ARG 56 0.833 9.418 4.663 427 1HD ARG 56 1HD ARG 56 0.390 11.400 6.022 428 2HD ARG 56 2HD ARG 56 -1.189 10.750 6.461 429 HE ARG 56 HE ARG 56 0.803 8.870 7.125 430 1HH1 ARG 56 1HH1 ARG 56 -0.457 11.976 8.165 431 2HH1 ARG 56 2HH1 ARG 56 0.130 11.805 9.795 432 1HH2 ARG 56 1HH2 ARG 56 1.540 8.627 9.236 433 2HH2 ARG 56 2HH2 ARG 56 1.261 9.883 10.413 434 H PHE 57 H PHE 57 0.396 10.847 0.791 435 HA PHE 57 HA PHE 57 2.237 8.684 0.240 436 1HB PHE 57 1HB PHE 57 1.405 10.065 -1.597 437 2HB PHE 57 2HB PHE 57 2.085 11.505 -0.847 438 HD1 PHE 57 HD1 PHE 57 3.011 8.223 -2.306 439 HD2 PHE 57 HD2 PHE 57 4.266 12.170 -1.325 440 HE1 PHE 57 HE1 PHE 57 5.108 7.860 -3.537 441 HE2 PHE 57 HE2 PHE 57 6.364 11.810 -2.556 442 HZ PHE 57 HZ PHE 57 6.787 9.655 -3.662 443 H CYS 58 H CYS 58 4.251 8.455 0.999 444 HA CYS 58 HA CYS 58 5.352 10.583 2.690 445 1HB CYS 58 1HB CYS 58 6.123 7.676 2.401 446 2HB CYS 58 2HB CYS 58 6.972 8.825 3.427 447 HG CYS 58 HG CYS 58 4.995 6.909 4.639 448 H HIS 59 H HIS 59 6.803 8.159 0.495 449 HA HIS 59 HA HIS 59 8.032 10.155 -1.138 450 1HB HIS 59 1HB HIS 59 10.373 9.651 -0.573 451 2HB HIS 59 2HB HIS 59 9.523 10.354 0.789 452 HD1 HIS 59 HD1 HIS 59 9.373 8.970 2.925 453 HD2 HIS 59 HD2 HIS 59 11.016 6.890 -0.284 454 HE1 HIS 59 HE1 HIS 59 10.270 6.822 3.888 455 HE2 HIS 59 HE2 HIS 59 11.143 5.521 1.905 456 H SER 60 H SER 60 9.822 9.052 -2.508 457 HA SER 60 HA SER 60 9.036 6.269 -3.098 458 1HB SER 60 1HB SER 60 9.866 8.388 -5.102 459 2HB SER 60 2HB SER 60 9.442 6.718 -5.476 460 HG SER 60 HG SER 60 7.822 8.786 -5.328 461 H GLU 61 H GLU 61 10.712 4.833 -3.209 462 HA GLU 61 HA GLU 61 13.432 5.911 -3.243 463 1HB GLU 61 1HB GLU 61 14.069 4.572 -1.284 464 2HB GLU 61 2HB GLU 61 12.850 5.771 -0.880 465 1HG GLU 61 1HG GLU 61 11.125 4.032 -0.949 466 2HG GLU 61 2HG GLU 61 12.358 2.834 -1.345 467 H LYS 62 H LYS 62 15.052 4.017 -3.198 468 HA LYS 62 HA LYS 62 14.478 2.249 -5.351 469 1HB LYS 62 1HB LYS 62 16.749 2.974 -5.006 470 2HB LYS 62 2HB LYS 62 16.751 2.361 -3.358 471 1HG LYS 62 1HG LYS 62 16.566 0.073 -4.221 472 2HG LYS 62 2HG LYS 62 16.599 0.703 -5.867 473 1HD LYS 62 1HD LYS 62 18.829 1.534 -5.568 474 2HD LYS 62 2HD LYS 62 18.794 1.139 -3.848 475 1HE LYS 62 1HE LYS 62 18.648 -1.229 -4.371 476 2HE LYS 62 2HE LYS 62 18.597 -0.865 -6.093 477 1HZ LYS 62 1HZ LYS 62 20.871 -0.214 -4.296 478 2HZ LYS 62 2HZ LYS 62 20.802 -1.565 -5.321 479 3HZ LYS 62 3HZ LYS 62 20.819 -0.000 -5.980 480 H ALA 63 H ALA 63 13.471 0.363 -5.283 481 HA ALA 63 HA ALA 63 12.653 -0.692 -2.711 482 1HB ALA 63 1HB ALA 63 11.205 -2.167 -4.045 483 2HB ALA 63 2HB ALA 63 10.978 -0.464 -4.443 484 3HB ALA 63 3HB ALA 63 11.913 -1.502 -5.517 485 HA PRO 64 HA PRO 64 15.850 -3.837 -2.540 486 1HB PRO 64 1HB PRO 64 13.738 -5.154 -0.901 487 2HB PRO 64 2HB PRO 64 15.441 -4.872 -0.523 488 1HG PRO 64 1HG PRO 64 13.538 -3.396 0.613 489 2HG PRO 64 2HG PRO 64 15.073 -2.669 0.107 490 1HD PRO 64 1HD PRO 64 12.390 -2.531 -1.196 491 2HD PRO 64 2HD PRO 64 13.648 -1.285 -1.067 492 H ASP 65 H ASP 65 16.157 -5.774 -3.603 493 HA ASP 65 HA ASP 65 14.457 -6.305 -5.753 494 1HB ASP 65 1HB ASP 65 16.559 -8.142 -4.595 495 2HB ASP 65 2HB ASP 65 15.917 -8.175 -6.228 496 H GLU 66 H GLU 66 14.435 -7.506 -2.523 497 HA GLU 66 HA GLU 66 12.962 -9.874 -2.904 498 1HB GLU 66 1HB GLU 66 14.107 -9.347 -0.809 499 2HB GLU 66 2HB GLU 66 13.023 -7.990 -0.542 500 1HG GLU 66 1HG GLU 66 11.155 -9.460 -0.259 501 2HG GLU 66 2HG GLU 66 12.135 -10.857 -0.709 502 H VAL 67 H VAL 67 11.862 -6.564 -2.105 503 HA VAL 67 HA VAL 67 9.107 -7.306 -2.209 504 HB VAL 67 HB VAL 67 8.563 -4.975 -1.979 505 1HG1 VAL 67 1HG1 VAL 67 9.299 -6.101 0.031 506 2HG1 VAL 67 2HG1 VAL 67 10.977 -5.685 -0.322 507 3HG1 VAL 67 3HG1 VAL 67 9.813 -4.413 0.055 508 1HG2 VAL 67 1HG2 VAL 67 10.136 -4.031 -3.582 509 2HG2 VAL 67 2HG2 VAL 67 10.246 -3.206 -2.026 510 3HG2 VAL 67 3HG2 VAL 67 11.475 -4.384 -2.490 511 H ILE 68 H ILE 68 11.450 -6.386 -4.544 512 HA ILE 68 HA ILE 68 9.836 -5.434 -6.620 513 HB ILE 68 HB ILE 68 12.337 -7.129 -6.784 514 1HG1 ILE 68 1HG1 ILE 68 12.732 -5.031 -5.634 515 2HG1 ILE 68 2HG1 ILE 68 13.456 -4.960 -7.236 516 1HG2 ILE 68 1HG2 ILE 68 12.559 -6.281 -9.078 517 2HG2 ILE 68 2HG2 ILE 68 11.110 -7.265 -8.870 518 3HG2 ILE 68 3HG2 ILE 68 10.980 -5.507 -8.932 519 1HD1 ILE 68 1HD1 ILE 68 10.864 -3.701 -6.382 520 2HD1 ILE 68 2HD1 ILE 68 12.385 -2.874 -6.718 521 3HD1 ILE 68 3HD1 ILE 68 11.512 -3.677 -8.023 522 H GLU 69 H GLU 69 10.714 -8.729 -5.689 523 HA GLU 69 HA GLU 69 9.317 -9.988 -7.826 524 1HB GLU 69 1HB GLU 69 11.212 -11.017 -6.588 525 2HB GLU 69 2HB GLU 69 10.177 -11.155 -5.174 526 1HG GLU 69 1HG GLU 69 8.690 -12.645 -6.396 527 2HG GLU 69 2HG GLU 69 9.706 -12.495 -7.829 528 H ALA 70 H ALA 70 8.484 -9.053 -4.554 529 HA ALA 70 HA ALA 70 6.021 -10.446 -4.396 530 1HB ALA 70 1HB ALA 70 6.878 -7.933 -2.964 531 2HB ALA 70 2HB ALA 70 5.514 -8.962 -2.526 532 3HB ALA 70 3HB ALA 70 7.160 -9.586 -2.414 533 H ILE 71 H ILE 71 6.843 -7.123 -5.357 534 HA ILE 71 HA ILE 71 4.174 -6.373 -6.000 535 HB ILE 71 HB ILE 71 6.791 -5.186 -6.942 536 1HG1 ILE 71 1HG1 ILE 71 4.914 -4.344 -4.721 537 2HG1 ILE 71 2HG1 ILE 71 6.464 -5.148 -4.493 538 1HG2 ILE 71 1HG2 ILE 71 3.992 -4.064 -7.073 539 2HG2 ILE 71 2HG2 ILE 71 5.467 -3.179 -7.467 540 3HG2 ILE 71 3HG2 ILE 71 4.984 -4.567 -8.442 541 1HD1 ILE 71 1HD1 ILE 71 7.601 -3.226 -5.471 542 2HD1 ILE 71 2HD1 ILE 71 6.047 -2.426 -5.703 543 3HD1 ILE 71 3HD1 ILE 71 6.627 -2.767 -4.073 544 H LYS 72 H LYS 72 6.831 -7.812 -7.796 545 HA LYS 72 HA LYS 72 5.931 -7.745 -10.393 546 1HB LYS 72 1HB LYS 72 8.041 -8.733 -9.941 547 2HB LYS 72 2HB LYS 72 7.344 -9.894 -8.822 548 1HG LYS 72 1HG LYS 72 6.114 -10.838 -10.860 549 2HG LYS 72 2HG LYS 72 7.255 -9.891 -11.818 550 1HD LYS 72 1HD LYS 72 8.125 -11.828 -9.685 551 2HD LYS 72 2HD LYS 72 7.899 -12.301 -11.369 552 1HE LYS 72 1HE LYS 72 9.681 -10.014 -10.583 553 2HE LYS 72 2HE LYS 72 10.263 -11.677 -10.610 554 1HZ LYS 72 1HZ LYS 72 9.091 -10.222 -12.921 555 2HZ LYS 72 2HZ LYS 72 10.741 -10.540 -12.684 556 3HZ LYS 72 3HZ LYS 72 9.655 -11.819 -12.941 557 H GLN 73 H GLN 73 4.848 -9.804 -7.766 558 HA GLN 73 HA GLN 73 3.144 -11.368 -9.512 559 1HB GLN 73 1HB GLN 73 3.659 -11.473 -6.542 560 2HB GLN 73 2HB GLN 73 2.596 -12.582 -7.399 561 1HG GLN 73 1HG GLN 73 4.380 -13.531 -8.599 562 2HG GLN 73 2HG GLN 73 5.477 -12.227 -8.150 563 1HE2 GLN 73 2HE2 GLN 73 6.415 -12.221 -6.133 564 2HE2 GLN 73 1HE2 GLN 73 6.401 -13.605 -5.089 565 H ASN 74 H ASN 74 2.727 -9.078 -6.815 566 HA ASN 74 HA ASN 74 -0.171 -9.397 -7.054 567 1HB ASN 74 1HB ASN 74 1.519 -8.070 -4.934 568 2HB ASN 74 2HB ASN 74 -0.240 -8.104 -4.913 569 1HD2 ASN 74 2HD2 ASN 74 2.667 -9.919 -4.460 570 2HD2 ASN 74 1HD2 ASN 74 1.922 -11.334 -3.798 571 H GLY 75 H GLY 75 2.311 -7.042 -7.653 572 1HA GLY 75 1HA GLY 75 1.983 -5.084 -8.949 573 2HA GLY 75 2HA GLY 75 0.271 -5.133 -8.546 574 H TYR 76 H TYR 76 1.650 -5.784 -5.738 575 HA TYR 76 HA TYR 76 2.521 -3.182 -4.892 576 1HB TYR 76 1HB TYR 76 0.702 -2.784 -3.307 577 2HB TYR 76 2HB TYR 76 0.058 -2.875 -4.943 578 HD1 TYR 76 HD1 TYR 76 -0.108 -4.205 -1.613 579 HD2 TYR 76 HD2 TYR 76 -1.040 -5.054 -5.679 580 HE1 TYR 76 HE1 TYR 76 -1.693 -5.937 -0.884 581 HE2 TYR 76 HE2 TYR 76 -2.629 -6.787 -4.959 582 HH TYR 76 HH TYR 76 -2.980 -8.246 -2.975 583 H PHE 77 H PHE 77 3.012 -3.203 -2.525 584 HA PHE 77 HA PHE 77 3.130 -5.890 -1.361 585 1HB PHE 77 1HB PHE 77 5.367 -5.412 -2.285 586 2HB PHE 77 2HB PHE 77 5.434 -3.925 -1.344 587 HD1 PHE 77 HD1 PHE 77 6.298 -3.944 0.813 588 HD2 PHE 77 HD2 PHE 77 5.111 -7.609 -0.990 589 HE1 PHE 77 HE1 PHE 77 7.261 -5.182 2.706 590 HE2 PHE 77 HE2 PHE 77 6.075 -8.853 0.901 591 HZ PHE 77 HZ PHE 77 7.151 -7.641 2.751 592 H ILE 78 H ILE 78 2.325 -5.929 0.618 593 HA ILE 78 HA ILE 78 1.813 -3.383 1.965 594 HB ILE 78 HB ILE 78 0.660 -6.130 2.484 595 1HG1 ILE 78 1HG1 ILE 78 -0.158 -5.124 0.411 596 2HG1 ILE 78 2HG1 ILE 78 -1.432 -5.163 1.625 597 1HG2 ILE 78 1HG2 ILE 78 0.795 -4.864 4.552 598 2HG2 ILE 78 2HG2 ILE 78 -0.004 -3.492 3.786 599 3HG2 ILE 78 3HG2 ILE 78 -0.881 -5.003 4.027 600 1HD1 ILE 78 1HD1 ILE 78 -1.040 -2.796 2.094 601 2HD1 ILE 78 2HD1 ILE 78 0.215 -2.765 0.855 602 3HD1 ILE 78 3HD1 ILE 78 -1.462 -3.077 0.406 603 H TYR 79 H TYR 79 3.613 -2.859 3.101 604 HA TYR 79 HA TYR 79 4.979 -4.861 4.698 605 1HB TYR 79 1HB TYR 79 6.122 -2.887 3.535 606 2HB TYR 79 2HB TYR 79 5.417 -1.877 4.791 607 HD1 TYR 79 HD1 TYR 79 6.355 -1.809 6.992 608 HD2 TYR 79 HD2 TYR 79 7.780 -4.630 4.143 609 HE1 TYR 79 HE1 TYR 79 8.260 -2.325 8.462 610 HE2 TYR 79 HE2 TYR 79 9.685 -5.152 5.604 611 HH TYR 79 HH TYR 79 9.845 -4.198 8.849 612 H LYS 80 H LYS 80 4.089 -5.488 6.534 613 HA LYS 80 HA LYS 80 1.943 -3.995 7.703 614 1HB LYS 80 1HB LYS 80 3.255 -6.504 8.755 615 2HB LYS 80 2HB LYS 80 1.648 -5.899 9.143 616 1HG LYS 80 1HG LYS 80 0.892 -6.321 6.897 617 2HG LYS 80 2HG LYS 80 2.518 -6.788 6.401 618 1HD LYS 80 1HD LYS 80 2.388 -8.628 8.117 619 2HD LYS 80 2HD LYS 80 0.678 -8.227 8.299 620 1HE LYS 80 1HE LYS 80 1.008 -10.088 6.738 621 2HE LYS 80 2HE LYS 80 0.300 -8.683 5.940 622 1HZ LYS 80 1HZ LYS 80 2.093 -9.743 4.638 623 2HZ LYS 80 2HZ LYS 80 2.430 -8.130 5.018 624 3HZ LYS 80 3HZ LYS 80 3.193 -9.375 5.878 625 H MET 81 H MET 81 2.914 -2.097 8.442 626 HA MET 81 HA MET 81 5.068 -1.997 10.260 627 1HB MET 81 1HB MET 81 4.309 -0.039 8.974 628 2HB MET 81 2HB MET 81 2.795 -0.034 9.868 629 1HG MET 81 1HG MET 81 4.149 0.305 11.956 630 2HG MET 81 2HG MET 81 5.551 0.549 10.917 631 1HE MET 81 1HE MET 81 4.126 2.044 8.432 632 2HE MET 81 2HE MET 81 5.691 2.515 9.093 633 3HE MET 81 3HE MET 81 4.429 3.725 8.869 634 H GLU 82 H GLU 82 1.585 -1.533 10.835 635 HA GLU 82 HA GLU 82 1.596 -3.169 13.178 636 1HB GLU 82 1HB GLU 82 2.616 -1.134 14.106 637 2HB GLU 82 2HB GLU 82 1.259 -0.182 13.522 638 1HG GLU 82 1HG GLU 82 -0.238 -1.477 14.992 639 2HG GLU 82 2HG GLU 82 1.170 -2.335 15.621 640 H GLY 83 H GLY 83 -0.336 -4.082 13.266 641 1HA GLY 83 1HA GLY 83 -2.802 -2.795 13.073 642 2HA GLY 83 2HA GLY 83 -2.400 -3.370 11.462 643 H CYS 84 H CYS 84 -1.312 -5.749 11.766 644 HA CYS 84 HA CYS 84 -3.476 -7.447 12.277 645 1HB CYS 84 1HB CYS 84 -0.538 -8.164 12.182 646 2HB CYS 84 2HB CYS 84 -1.887 -9.274 11.962 647 HG CYS 84 HG CYS 84 -2.645 -8.436 9.523 648 H ASN 85 H ASN 85 -0.777 -6.460 14.283 649 HA ASN 85 HA ASN 85 -1.948 -7.945 16.536 650 1HB ASN 85 1HB ASN 85 0.887 -6.981 16.085 651 2HB ASN 85 2HB ASN 85 0.310 -7.611 17.623 652 1HD2 ASN 85 2HD2 ASN 85 1.744 -9.313 17.620 653 2HD2 ASN 85 1HD2 ASN 85 1.588 -10.667 16.547 Start of MODEL 13 1 H MET 1 H MET 1 14.525 1.041 -10.459 2 HA MET 1 HA MET 1 12.268 1.461 -10.823 3 1HB MET 1 1HB MET 1 10.545 -0.262 -10.321 4 2HB MET 1 2HB MET 1 11.552 -0.646 -11.709 5 1HG MET 1 1HG MET 1 12.902 -2.123 -10.224 6 2HG MET 1 2HG MET 1 11.715 -1.833 -8.953 7 1HE MET 1 1HE MET 1 9.149 -2.544 -9.141 8 2HE MET 1 2HE MET 1 8.463 -3.364 -10.543 9 3HE MET 1 3HE MET 1 9.005 -1.690 -10.678 10 H GLN 2 H GLN 2 11.139 2.450 -9.219 11 HA GLN 2 HA GLN 2 12.318 2.071 -6.554 12 1HB GLN 2 1HB GLN 2 10.772 4.435 -7.626 13 2HB GLN 2 2HB GLN 2 11.545 4.335 -6.053 14 1HG GLN 2 1HG GLN 2 13.714 3.971 -7.365 15 2HG GLN 2 2HG GLN 2 12.804 4.569 -8.753 16 1HE2 GLN 2 2HE2 GLN 2 11.958 6.707 -8.671 17 2HE2 GLN 2 1HE2 GLN 2 12.672 7.897 -7.634 18 H ILE 3 H ILE 3 11.007 2.168 -4.694 19 HA ILE 3 HA ILE 3 8.257 1.274 -5.127 20 HB ILE 3 HB ILE 3 8.305 0.995 -2.574 21 1HG1 ILE 3 1HG1 ILE 3 11.282 1.136 -3.094 22 2HG1 ILE 3 2HG1 ILE 3 10.351 2.324 -2.190 23 1HG2 ILE 3 1HG2 ILE 3 8.262 -0.879 -4.050 24 2HG2 ILE 3 2HG2 ILE 3 9.985 -0.717 -4.379 25 3HG2 ILE 3 3HG2 ILE 3 9.438 -1.195 -2.774 26 1HD1 ILE 3 1HD1 ILE 3 9.810 0.625 -0.522 27 2HD1 ILE 3 2HD1 ILE 3 10.752 -0.560 -1.429 28 3HD1 ILE 3 3HD1 ILE 3 11.553 0.835 -0.704 29 H HIS 4 H HIS 4 6.646 2.625 -4.969 30 HA HIS 4 HA HIS 4 7.064 5.238 -3.755 31 1HB HIS 4 1HB HIS 4 4.601 4.139 -5.142 32 2HB HIS 4 2HB HIS 4 4.883 5.818 -4.692 33 HD1 HIS 4 HD1 HIS 4 6.907 7.033 -6.029 34 HD2 HIS 4 HD2 HIS 4 5.545 3.431 -7.606 35 HE1 HIS 4 HE1 HIS 4 7.777 6.950 -8.387 36 HE2 HIS 4 HE2 HIS 4 6.996 4.739 -9.309 37 H VAL 5 H VAL 5 6.477 5.667 -1.744 38 HA VAL 5 HA VAL 5 5.316 3.467 -0.213 39 HB VAL 5 HB VAL 5 6.645 5.985 0.802 40 1HG1 VAL 5 1HG1 VAL 5 6.850 4.749 2.908 41 2HG1 VAL 5 2HG1 VAL 5 5.164 4.946 2.432 42 3HG1 VAL 5 3HG1 VAL 5 5.971 3.396 2.197 43 1HG2 VAL 5 1HG2 VAL 5 8.618 4.580 1.198 44 2HG2 VAL 5 2HG2 VAL 5 7.807 3.228 0.404 45 3HG2 VAL 5 3HG2 VAL 5 8.215 4.677 -0.517 46 H TYR 6 H TYR 6 3.185 3.530 -0.061 47 HA TYR 6 HA TYR 6 1.909 6.104 0.563 48 1HB TYR 6 1HB TYR 6 0.742 3.549 -0.563 49 2HB TYR 6 2HB TYR 6 -0.232 4.918 -0.044 50 HD1 TYR 6 HD1 TYR 6 -0.513 6.820 -1.436 51 HD2 TYR 6 HD2 TYR 6 2.280 3.802 -2.522 52 HE1 TYR 6 HE1 TYR 6 -0.308 7.823 -3.672 53 HE2 TYR 6 HE2 TYR 6 2.494 4.796 -4.760 54 HH TYR 6 HH TYR 6 1.187 7.893 -5.535 55 H ASP 7 H ASP 7 2.173 6.229 2.747 56 HA ASP 7 HA ASP 7 1.795 4.138 4.586 57 1HB ASP 7 1HB ASP 7 1.499 7.133 4.916 58 2HB ASP 7 2HB ASP 7 1.507 5.984 6.240 59 H THR 8 H THR 8 -0.064 3.011 4.613 60 HA THR 8 HA THR 8 -2.564 4.451 4.152 61 HB THR 8 HB THR 8 -2.149 1.465 4.344 62 HG1 THR 8 HG1 THR 8 -1.015 2.697 2.580 63 1HG2 THR 8 1HG2 THR 8 -4.292 1.349 3.174 64 2HG2 THR 8 2HG2 THR 8 -4.464 2.232 4.690 65 3HG2 THR 8 3HG2 THR 8 -4.395 3.110 3.162 66 H TYR 9 H TYR 9 -3.622 5.173 5.838 67 HA TYR 9 HA TYR 9 -3.422 3.764 8.397 68 1HB TYR 9 1HB TYR 9 -4.457 6.524 7.711 69 2HB TYR 9 2HB TYR 9 -4.520 5.820 9.322 70 HD1 TYR 9 HD1 TYR 9 -2.224 7.008 6.669 71 HD2 TYR 9 HD2 TYR 9 -2.626 5.838 10.740 72 HE1 TYR 9 HE1 TYR 9 0.029 7.876 7.136 73 HE2 TYR 9 HE2 TYR 9 -0.375 6.699 11.216 74 HH TYR 9 HH TYR 9 1.382 8.616 8.942 75 H VAL 10 H VAL 10 -4.917 2.253 8.666 76 HA VAL 10 HA VAL 10 -7.608 2.736 7.577 77 HB VAL 10 HB VAL 10 -6.298 0.114 8.331 78 1HG1 VAL 10 1HG1 VAL 10 -8.681 0.051 8.834 79 2HG1 VAL 10 2HG1 VAL 10 -9.051 0.637 7.212 80 3HG1 VAL 10 3HG1 VAL 10 -8.315 -0.951 7.429 81 1HG2 VAL 10 1HG2 VAL 10 -5.457 1.030 6.243 82 2HG2 VAL 10 2HG2 VAL 10 -6.472 -0.378 5.929 83 3HG2 VAL 10 3HG2 VAL 10 -7.105 1.245 5.655 84 H LYS 11 H LYS 11 -9.010 3.416 8.987 85 HA LYS 11 HA LYS 11 -8.557 3.262 11.806 86 1HB LYS 11 1HB LYS 11 -10.960 4.231 10.247 87 2HB LYS 11 2HB LYS 11 -10.704 4.472 11.968 88 1HG LYS 11 1HG LYS 11 -8.957 5.979 11.621 89 2HG LYS 11 2HG LYS 11 -8.720 5.457 9.951 90 1HD LYS 11 1HD LYS 11 -10.904 6.412 9.355 91 2HD LYS 11 2HD LYS 11 -11.111 6.958 11.020 92 1HE LYS 11 1HE LYS 11 -9.413 8.549 10.837 93 2HE LYS 11 2HE LYS 11 -8.709 7.767 9.422 94 1HZ LYS 11 1HZ LYS 11 -10.023 9.889 9.038 95 2HZ LYS 11 2HZ LYS 11 -10.392 8.563 8.048 96 3HZ LYS 11 3HZ LYS 11 -11.411 8.964 9.345 97 H ALA 12 H ALA 12 -8.518 0.946 12.092 98 HA ALA 12 HA ALA 12 -10.969 -0.529 11.763 99 1HB ALA 12 1HB ALA 12 -8.827 -1.689 11.617 100 2HB ALA 12 2HB ALA 12 -8.465 -1.249 13.286 101 3HB ALA 12 3HB ALA 12 -9.807 -2.337 12.933 102 H LYS 13 H LYS 13 -12.549 0.392 12.886 103 HA LYS 13 HA LYS 13 -12.422 1.754 15.249 104 1HB LYS 13 1HB LYS 13 -14.795 1.656 15.362 105 2HB LYS 13 2HB LYS 13 -14.327 1.766 13.674 106 1HG LYS 13 1HG LYS 13 -15.064 -0.803 15.049 107 2HG LYS 13 2HG LYS 13 -16.198 0.198 14.142 108 1HD LYS 13 1HD LYS 13 -14.942 -0.133 12.116 109 2HD LYS 13 2HD LYS 13 -13.672 -0.982 13.001 110 1HE LYS 13 1HE LYS 13 -15.272 -2.707 13.626 111 2HE LYS 13 2HE LYS 13 -16.517 -1.884 12.688 112 1HZ LYS 13 1HZ LYS 13 -13.986 -2.995 11.593 113 2HZ LYS 13 2HZ LYS 13 -15.514 -3.712 11.449 114 3HZ LYS 13 3HZ LYS 13 -15.203 -2.226 10.692 115 H ASP 14 H ASP 14 -12.729 -1.738 14.897 116 HA ASP 14 HA ASP 14 -13.168 -1.935 17.795 117 1HB ASP 14 1HB ASP 14 -13.991 -4.157 17.429 118 2HB ASP 14 2HB ASP 14 -14.764 -3.097 16.253 119 H GLY 15 H GLY 15 -10.655 -1.925 15.710 120 1HA GLY 15 1HA GLY 15 -9.157 -3.922 17.288 121 2HA GLY 15 2HA GLY 15 -8.842 -3.602 15.588 122 H HIS 16 H HIS 16 -7.771 -1.739 14.984 123 HA HIS 16 HA HIS 16 -6.931 0.238 16.862 124 1HB HIS 16 1HB HIS 16 -5.451 -1.820 17.335 125 2HB HIS 16 2HB HIS 16 -4.729 -1.511 15.761 126 HD1 HIS 16 HD1 HIS 16 -4.791 -0.318 19.267 127 HD2 HIS 16 HD2 HIS 16 -3.127 0.840 15.633 128 HE1 HIS 16 HE1 HIS 16 -3.071 1.427 19.833 129 HE2 HIS 16 HE2 HIS 16 -1.978 2.009 17.640 130 H VAL 17 H VAL 17 -6.043 2.026 15.798 131 HA VAL 17 HA VAL 17 -6.543 2.361 13.064 132 HB VAL 17 HB VAL 17 -4.541 3.884 14.751 133 1HG1 VAL 17 1HG1 VAL 17 -4.857 5.690 13.130 134 2HG1 VAL 17 2HG1 VAL 17 -4.221 4.240 12.355 135 3HG1 VAL 17 3HG1 VAL 17 -5.925 4.656 12.182 136 1HG2 VAL 17 1HG2 VAL 17 -7.458 4.442 14.211 137 2HG2 VAL 17 2HG2 VAL 17 -6.765 3.919 15.746 138 3HG2 VAL 17 3HG2 VAL 17 -6.354 5.503 15.087 139 H MET 18 H MET 18 -5.634 1.214 11.500 140 HA MET 18 HA MET 18 -3.095 -0.082 11.903 141 1HB MET 18 1HB MET 18 -5.039 -0.047 9.602 142 2HB MET 18 2HB MET 18 -3.507 -0.903 9.539 143 1HG MET 18 1HG MET 18 -4.202 -2.270 11.443 144 2HG MET 18 2HG MET 18 -5.752 -1.423 11.471 145 1HE MET 18 1HE MET 18 -5.175 -4.660 11.159 146 2HE MET 18 2HE MET 18 -6.458 -5.077 10.024 147 3HE MET 18 3HE MET 18 -6.789 -3.978 11.362 148 H HIS 19 H HIS 19 -1.196 0.713 11.366 149 HA HIS 19 HA HIS 19 -1.065 2.482 9.020 150 1HB HIS 19 1HB HIS 19 -0.330 3.644 11.087 151 2HB HIS 19 2HB HIS 19 0.871 2.387 11.355 152 HD1 HIS 19 HD1 HIS 19 2.242 4.887 11.279 153 HD2 HIS 19 HD2 HIS 19 1.101 3.080 7.704 154 HE1 HIS 19 HE1 HIS 19 3.708 5.893 9.502 155 HE2 HIS 19 HE2 HIS 19 3.121 4.666 7.380 156 H PHE 20 H PHE 20 -0.490 1.251 7.367 157 HA PHE 20 HA PHE 20 1.917 -0.374 7.678 158 1HB PHE 20 1HB PHE 20 0.947 -2.144 6.226 159 2HB PHE 20 2HB PHE 20 0.129 -2.002 7.774 160 HD1 PHE 20 HD1 PHE 20 -2.143 -1.092 7.899 161 HD2 PHE 20 HD2 PHE 20 -0.174 -1.663 4.169 162 HE1 PHE 20 HE1 PHE 20 -4.302 -0.915 6.735 163 HE2 PHE 20 HE2 PHE 20 -2.329 -1.483 2.999 164 HZ PHE 20 HZ PHE 20 -4.397 -1.109 4.282 165 H ASP 21 H ASP 21 3.194 -0.503 5.817 166 HA ASP 21 HA ASP 21 2.685 1.773 4.043 167 1HB ASP 21 1HB ASP 21 5.210 0.178 4.524 168 2HB ASP 21 2HB ASP 21 5.081 1.539 3.416 169 H VAL 22 H VAL 22 1.879 1.446 2.109 170 HA VAL 22 HA VAL 22 2.091 -1.186 0.868 171 HB VAL 22 HB VAL 22 0.599 1.267 -0.092 172 1HG1 VAL 22 1HG1 VAL 22 0.491 -1.602 -1.023 173 2HG1 VAL 22 2HG1 VAL 22 -0.567 -0.304 -1.579 174 3HG1 VAL 22 3HG1 VAL 22 1.162 -0.237 -1.915 175 1HG2 VAL 22 1HG2 VAL 22 -0.308 0.459 2.013 176 2HG2 VAL 22 2HG2 VAL 22 -1.415 0.096 0.689 177 3HG2 VAL 22 3HG2 VAL 22 -0.400 -1.179 1.365 178 H PHE 23 H PHE 23 3.962 -1.519 -0.138 179 HA PHE 23 HA PHE 23 5.261 0.659 -1.581 180 1HB PHE 23 1HB PHE 23 6.139 -2.204 -1.139 181 2HB PHE 23 2HB PHE 23 7.093 -0.966 -1.943 182 HD1 PHE 23 HD1 PHE 23 6.818 1.354 -0.253 183 HD2 PHE 23 HD2 PHE 23 7.179 -2.746 0.822 184 HE1 PHE 23 HE1 PHE 23 7.804 2.010 1.903 185 HE2 PHE 23 HE2 PHE 23 8.163 -2.098 2.980 186 HZ PHE 23 HZ PHE 23 8.476 0.284 3.526 187 H THR 24 H THR 24 4.874 0.997 -3.677 188 HA THR 24 HA THR 24 4.655 -1.312 -5.437 189 HB THR 24 HB THR 24 2.315 -0.914 -4.856 190 HG1 THR 24 HG1 THR 24 1.954 -1.421 -6.867 191 1HG2 THR 24 1HG2 THR 24 1.194 1.179 -5.456 192 2HG2 THR 24 2HG2 THR 24 2.460 1.454 -4.258 193 3HG2 THR 24 3HG2 THR 24 2.740 1.870 -5.950 194 H ASP 25 H ASP 25 4.994 -0.776 -7.691 195 HA ASP 25 HA ASP 25 6.605 1.635 -7.989 196 1HB ASP 25 1HB ASP 25 7.697 0.591 -9.694 197 2HB ASP 25 2HB ASP 25 7.059 -0.852 -8.920 198 H VAL 26 H VAL 26 3.461 0.611 -8.480 199 HA VAL 26 HA VAL 26 2.889 2.444 -10.658 200 HB VAL 26 HB VAL 26 0.974 0.821 -8.966 201 1HG1 VAL 26 1HG1 VAL 26 -0.109 2.688 -10.075 202 2HG1 VAL 26 2HG1 VAL 26 0.591 2.202 -11.619 203 3HG1 VAL 26 3HG1 VAL 26 -0.593 1.165 -10.822 204 1HG2 VAL 26 1HG2 VAL 26 0.925 -0.755 -10.849 205 2HG2 VAL 26 2HG2 VAL 26 2.190 0.178 -11.650 206 3HG2 VAL 26 3HG2 VAL 26 2.531 -0.642 -10.126 207 H ARG 27 H ARG 27 3.083 4.535 -10.021 208 HA ARG 27 HA ARG 27 2.238 5.303 -7.354 209 1HB ARG 27 1HB ARG 27 3.102 7.565 -8.004 210 2HB ARG 27 2HB ARG 27 4.297 6.277 -8.021 211 1HG ARG 27 1HG ARG 27 4.248 6.175 -10.411 212 2HG ARG 27 2HG ARG 27 2.883 7.295 -10.477 213 1HD ARG 27 1HD ARG 27 4.279 9.043 -9.478 214 2HD ARG 27 2HD ARG 27 5.640 7.924 -9.430 215 HE ARG 27 HE ARG 27 5.875 8.116 -11.742 216 1HH1 ARG 27 1HH1 ARG 27 3.077 9.893 -10.597 217 2HH1 ARG 27 2HH1 ARG 27 2.953 10.881 -12.019 218 1HH2 ARG 27 1HH2 ARG 27 5.750 9.457 -13.602 219 2HH2 ARG 27 2HH2 ARG 27 4.498 10.657 -13.715 220 H ASP 28 H ASP 28 0.046 4.554 -8.180 221 HA ASP 28 HA ASP 28 -1.409 6.884 -9.238 222 1HB ASP 28 1HB ASP 28 -2.006 3.930 -9.373 223 2HB ASP 28 2HB ASP 28 -3.264 5.135 -9.615 224 H ASP 29 H ASP 29 -2.593 7.948 -7.811 225 HA ASP 29 HA ASP 29 -2.674 7.251 -5.097 226 1HB ASP 29 1HB ASP 29 -4.437 9.198 -6.604 227 2HB ASP 29 2HB ASP 29 -4.280 9.117 -4.853 228 H LYS 30 H LYS 30 -4.991 6.799 -7.706 229 HA LYS 30 HA LYS 30 -7.097 5.761 -6.126 230 1HB LYS 30 1HB LYS 30 -7.633 6.476 -8.323 231 2HB LYS 30 2HB LYS 30 -6.381 5.471 -9.039 232 1HG LYS 30 1HG LYS 30 -7.625 3.478 -8.567 233 2HG LYS 30 2HG LYS 30 -8.820 4.390 -7.644 234 1HD LYS 30 1HD LYS 30 -9.637 5.466 -9.585 235 2HD LYS 30 2HD LYS 30 -8.261 4.931 -10.549 236 1HE LYS 30 1HE LYS 30 -10.376 3.686 -10.988 237 2HE LYS 30 2HE LYS 30 -9.017 2.672 -10.514 238 1HZ LYS 30 1HZ LYS 30 -11.023 3.612 -8.551 239 2HZ LYS 30 2HZ LYS 30 -11.240 2.191 -9.451 240 3HZ LYS 30 3HZ LYS 30 -9.919 2.335 -8.404 241 H LYS 31 H LYS 31 -4.337 4.244 -7.736 242 HA LYS 31 HA LYS 31 -5.185 1.582 -7.293 243 1HB LYS 31 1HB LYS 31 -2.553 2.821 -8.014 244 2HB LYS 31 2HB LYS 31 -2.648 1.111 -7.610 245 1HG LYS 31 1HG LYS 31 -4.222 2.476 -9.784 246 2HG LYS 31 2HG LYS 31 -2.768 1.503 -10.024 247 1HD LYS 31 1HD LYS 31 -3.906 -0.448 -9.106 248 2HD LYS 31 2HD LYS 31 -5.351 0.518 -8.807 249 1HE LYS 31 1HE LYS 31 -5.584 0.919 -11.204 250 2HE LYS 31 2HE LYS 31 -4.127 -0.028 -11.509 251 1HZ LYS 31 1HZ LYS 31 -5.212 -1.981 -10.675 252 2HZ LYS 31 2HZ LYS 31 -6.588 -1.092 -10.221 253 3HZ LYS 31 3HZ LYS 31 -6.200 -1.282 -11.864 254 H ALA 32 H ALA 32 -3.159 3.792 -5.427 255 HA ALA 32 HA ALA 32 -2.261 2.031 -3.465 256 1HB ALA 32 1HB ALA 32 -2.067 3.995 -2.016 257 2HB ALA 32 2HB ALA 32 -1.480 4.333 -3.644 258 3HB ALA 32 3HB ALA 32 -3.063 4.920 -3.140 259 H ILE 33 H ILE 33 -5.205 3.999 -3.514 260 HA ILE 33 HA ILE 33 -6.338 2.989 -1.139 261 HB ILE 33 HB ILE 33 -7.630 4.227 -3.573 262 1HG1 ILE 33 1HG1 ILE 33 -6.957 5.391 -0.864 263 2HG1 ILE 33 2HG1 ILE 33 -6.024 5.645 -2.334 264 1HG2 ILE 33 1HG2 ILE 33 -9.606 4.589 -2.208 265 2HG2 ILE 33 2HG2 ILE 33 -9.247 2.867 -2.337 266 3HG2 ILE 33 3HG2 ILE 33 -8.848 3.742 -0.858 267 1HD1 ILE 33 1HD1 ILE 33 -7.932 6.765 -3.353 268 2HD1 ILE 33 2HD1 ILE 33 -8.868 6.506 -1.880 269 3HD1 ILE 33 3HD1 ILE 33 -7.443 7.544 -1.847 270 H GLU 34 H GLU 34 -6.655 2.058 -4.520 271 HA GLU 34 HA GLU 34 -8.706 0.176 -4.248 272 1HB GLU 34 1HB GLU 34 -7.776 1.209 -6.370 273 2HB GLU 34 2HB GLU 34 -6.461 0.052 -6.259 274 1HG GLU 34 1HG GLU 34 -7.943 -1.782 -6.557 275 2HG GLU 34 2HG GLU 34 -9.357 -0.738 -6.394 276 H PHE 35 H PHE 35 -5.169 -0.255 -4.199 277 HA PHE 35 HA PHE 35 -5.204 -3.056 -3.869 278 1HB PHE 35 1HB PHE 35 -3.107 -1.023 -3.088 279 2HB PHE 35 2HB PHE 35 -2.865 -2.763 -2.993 280 HD1 PHE 35 HD1 PHE 35 -1.504 -0.429 -4.681 281 HD2 PHE 35 HD2 PHE 35 -4.271 -3.549 -5.535 282 HE1 PHE 35 HE1 PHE 35 -0.759 -0.444 -7.025 283 HE2 PHE 35 HE2 PHE 35 -3.532 -3.565 -7.881 284 HZ PHE 35 HZ PHE 35 -1.774 -2.013 -8.629 285 H ALA 36 H ALA 36 -5.225 -0.405 -1.540 286 HA ALA 36 HA ALA 36 -4.932 -1.938 0.793 287 1HB ALA 36 1HB ALA 36 -5.930 -0.030 1.964 288 2HB ALA 36 2HB ALA 36 -4.716 0.488 0.793 289 3HB ALA 36 3HB ALA 36 -6.433 0.654 0.417 290 H LYS 37 H LYS 37 -7.814 -0.989 -1.037 291 HA LYS 37 HA LYS 37 -9.651 -2.224 0.755 292 1HB LYS 37 1HB LYS 37 -9.958 -1.354 -2.121 293 2HB LYS 37 2HB LYS 37 -11.282 -1.955 -1.129 294 1HG LYS 37 1HG LYS 37 -10.793 -0.110 0.484 295 2HG LYS 37 2HG LYS 37 -9.659 0.539 -0.699 296 1HD LYS 37 1HD LYS 37 -12.584 0.037 -1.244 297 2HD LYS 37 2HD LYS 37 -11.916 1.597 -0.765 298 1HE LYS 37 1HE LYS 37 -10.495 1.592 -2.762 299 2HE LYS 37 2HE LYS 37 -11.180 0.040 -3.241 300 1HZ LYS 37 1HZ LYS 37 -12.789 2.507 -2.860 301 2HZ LYS 37 2HZ LYS 37 -12.191 1.991 -4.363 302 3HZ LYS 37 3HZ LYS 37 -13.311 1.036 -3.521 303 H GLN 38 H GLN 38 -7.847 -3.324 -2.024 304 HA GLN 38 HA GLN 38 -9.181 -5.787 -2.399 305 1HB GLN 38 1HB GLN 38 -6.300 -5.032 -2.923 306 2HB GLN 38 2HB GLN 38 -7.039 -6.535 -3.452 307 1HG GLN 38 1HG GLN 38 -7.872 -3.767 -4.292 308 2HG GLN 38 2HG GLN 38 -6.932 -4.908 -5.254 309 1HE2 GLN 38 2HE2 GLN 38 -7.943 -6.682 -6.159 310 2HE2 GLN 38 1HE2 GLN 38 -9.666 -6.802 -6.280 311 H TRP 39 H TRP 39 -6.383 -4.873 -0.428 312 HA TRP 39 HA TRP 39 -5.919 -7.429 0.673 313 1HB TRP 39 1HB TRP 39 -4.260 -5.599 0.708 314 2HB TRP 39 2HB TRP 39 -5.271 -4.712 1.841 315 HD1 TRP 39 HD1 TRP 39 -3.438 -8.133 1.701 316 HE1 TRP 39 HE1 TRP 39 -2.570 -8.669 4.065 317 HE3 TRP 39 HE3 TRP 39 -5.347 -4.094 4.186 318 HZ2 TRP 39 HZ2 TRP 39 -2.678 -7.513 6.648 319 HZ3 TRP 39 HZ3 TRP 39 -4.917 -3.883 6.598 320 HH2 TRP 39 HH2 TRP 39 -3.611 -5.558 7.801 321 H LEU 40 H LEU 40 -7.771 -4.632 1.859 322 HA LEU 40 HA LEU 40 -8.658 -5.733 4.270 323 1HB LEU 40 1HB LEU 40 -9.979 -3.757 2.416 324 2HB LEU 40 2HB LEU 40 -10.627 -4.174 3.990 325 HG LEU 40 HG LEU 40 -7.925 -2.916 3.510 326 1HD1 LEU 40 1HD1 LEU 40 -8.947 -0.913 4.503 327 2HD1 LEU 40 2HD1 LEU 40 -9.711 -1.369 2.979 328 3HD1 LEU 40 3HD1 LEU 40 -10.509 -1.732 4.511 329 1HD2 LEU 40 1HD2 LEU 40 -7.932 -4.282 5.506 330 2HD2 LEU 40 2HD2 LEU 40 -7.950 -2.576 5.953 331 3HD2 LEU 40 3HD2 LEU 40 -9.431 -3.530 6.051 332 H SER 41 H SER 41 -9.935 -6.059 1.003 333 HA SER 41 HA SER 41 -12.318 -7.397 1.653 334 1HB SER 41 1HB SER 41 -11.614 -6.401 -0.601 335 2HB SER 41 2HB SER 41 -10.701 -7.888 -0.852 336 HG SER 41 HG SER 41 -12.756 -9.004 -0.466 337 H SER 42 H SER 42 -9.059 -8.593 0.937 338 HA SER 42 HA SER 42 -9.686 -11.338 1.015 339 1HB SER 42 1HB SER 42 -7.037 -9.969 1.543 340 2HB SER 42 2HB SER 42 -7.258 -11.675 1.154 341 HG SER 42 HG SER 42 -8.129 -11.034 -0.863 342 H ILE 43 H ILE 43 -8.427 -9.138 3.524 343 HA ILE 43 HA ILE 43 -8.196 -11.233 5.462 344 HB ILE 43 HB ILE 43 -7.734 -9.491 7.100 345 1HG1 ILE 43 1HG1 ILE 43 -8.324 -7.512 4.886 346 2HG1 ILE 43 2HG1 ILE 43 -9.388 -7.834 6.252 347 1HG2 ILE 43 1HG2 ILE 43 -6.351 -9.025 4.462 348 2HG2 ILE 43 2HG2 ILE 43 -5.743 -8.522 6.039 349 3HG2 ILE 43 3HG2 ILE 43 -5.923 -10.238 5.669 350 1HD1 ILE 43 1HD1 ILE 43 -7.688 -7.021 7.784 351 2HD1 ILE 43 2HD1 ILE 43 -6.595 -6.731 6.431 352 3HD1 ILE 43 3HD1 ILE 43 -8.087 -5.803 6.572 353 H GLY 44 H GLY 44 -10.826 -9.553 4.244 354 1HA GLY 44 1HA GLY 44 -13.055 -10.020 4.742 355 2HA GLY 44 2HA GLY 44 -12.534 -10.797 6.228 356 H GLU 45 H GLU 45 -11.617 -7.543 5.268 357 HA GLU 45 HA GLU 45 -13.472 -6.477 7.280 358 1HB GLU 45 1HB GLU 45 -10.540 -5.810 7.015 359 2HB GLU 45 2HB GLU 45 -11.676 -4.855 7.958 360 1HG GLU 45 1HG GLU 45 -12.200 -7.067 9.157 361 2HG GLU 45 2HG GLU 45 -10.688 -7.632 8.450 362 H GLU 46 H GLU 46 -13.561 -6.578 4.344 363 HA GLU 46 HA GLU 46 -13.059 -3.987 3.305 364 1HB GLU 46 1HB GLU 46 -13.660 -6.277 2.108 365 2HB GLU 46 2HB GLU 46 -15.303 -5.674 2.260 366 1HG GLU 46 1HG GLU 46 -13.035 -4.264 0.868 367 2HG GLU 46 2HG GLU 46 -14.330 -5.159 0.083 368 H GLY 47 H GLY 47 -14.099 -2.168 3.703 369 1HA GLY 47 1HA GLY 47 -16.679 -1.517 4.000 370 2HA GLY 47 2HA GLY 47 -16.314 -2.222 5.571 371 H ALA 48 H ALA 48 -13.521 -1.305 5.420 372 HA ALA 48 HA ALA 48 -13.791 1.238 6.622 373 1HB ALA 48 1HB ALA 48 -11.946 -0.291 7.148 374 2HB ALA 48 2HB ALA 48 -11.306 -0.073 5.519 375 3HB ALA 48 3HB ALA 48 -11.356 1.290 6.637 376 H THR 49 H THR 49 -13.683 3.237 5.800 377 HA THR 49 HA THR 49 -13.889 3.482 2.916 378 HB THR 49 HB THR 49 -14.078 5.682 4.980 379 HG1 THR 49 HG1 THR 49 -15.672 3.563 4.666 380 1HG2 THR 49 1HG2 THR 49 -13.855 6.420 2.649 381 2HG2 THR 49 2HG2 THR 49 -15.233 5.414 2.200 382 3HG2 THR 49 3HG2 THR 49 -15.459 6.784 3.286 383 H VAL 50 H VAL 50 -11.793 3.169 2.164 384 HA VAL 50 HA VAL 50 -9.612 4.736 3.226 385 HB VAL 50 HB VAL 50 -9.620 3.033 0.727 386 1HG1 VAL 50 1HG1 VAL 50 -7.752 4.589 0.875 387 2HG1 VAL 50 2HG1 VAL 50 -7.368 3.995 2.491 388 3HG1 VAL 50 3HG1 VAL 50 -7.201 2.929 1.096 389 1HG2 VAL 50 1HG2 VAL 50 -8.668 1.253 2.131 390 2HG2 VAL 50 2HG2 VAL 50 -8.932 2.253 3.560 391 3HG2 VAL 50 3HG2 VAL 50 -10.310 1.675 2.622 392 H THR 51 H THR 51 -9.212 6.739 2.641 393 HA THR 51 HA THR 51 -9.983 7.682 -0.031 394 HB THR 51 HB THR 51 -10.760 9.805 0.948 395 HG1 THR 51 HG1 THR 51 -11.023 8.825 3.513 396 1HG2 THR 51 1HG2 THR 51 -12.415 8.061 0.510 397 2HG2 THR 51 2HG2 THR 51 -12.154 7.397 2.123 398 3HG2 THR 51 3HG2 THR 51 -12.855 9.005 1.934 399 H SER 52 H SER 52 -9.132 10.239 0.073 400 HA SER 52 HA SER 52 -6.304 10.057 0.050 401 1HB SER 52 1HB SER 52 -8.008 12.559 0.089 402 2HB SER 52 2HB SER 52 -6.346 12.421 -0.486 403 HG SER 52 HG SER 52 -8.019 12.370 -2.151 404 H GLU 53 H GLU 53 -8.524 10.535 2.565 405 HA GLU 53 HA GLU 53 -6.770 12.049 4.288 406 1HB GLU 53 1HB GLU 53 -9.223 12.253 4.479 407 2HB GLU 53 2HB GLU 53 -9.329 10.552 4.912 408 1HG GLU 53 1HG GLU 53 -7.980 11.005 6.920 409 2HG GLU 53 2HG GLU 53 -7.959 12.714 6.494 410 H GLU 54 H GLU 54 -7.591 8.725 3.682 411 HA GLU 54 HA GLU 54 -6.415 7.746 6.128 412 1HB GLU 54 1HB GLU 54 -7.251 6.071 3.771 413 2HB GLU 54 2HB GLU 54 -7.176 5.608 5.464 414 1HG GLU 54 1HG GLU 54 -9.130 7.570 4.287 415 2HG GLU 54 2HG GLU 54 -9.471 5.878 4.633 416 H CYS 55 H CYS 55 -5.681 7.530 2.645 417 HA CYS 55 HA CYS 55 -3.107 6.289 3.262 418 1HB CYS 55 1HB CYS 55 -2.932 5.945 0.827 419 2HB CYS 55 2HB CYS 55 -4.440 5.295 1.461 420 HG CYS 55 HG CYS 55 -4.590 8.447 0.304 421 H ARG 56 H ARG 56 -1.226 7.375 3.249 422 HA ARG 56 HA ARG 56 -1.234 10.096 2.100 423 1HB ARG 56 1HB ARG 56 -1.106 9.947 4.625 424 2HB ARG 56 2HB ARG 56 0.460 9.173 4.421 425 1HG ARG 56 1HG ARG 56 1.192 11.200 3.144 426 2HG ARG 56 2HG ARG 56 -0.322 11.965 3.631 427 1HD ARG 56 1HD ARG 56 0.348 11.444 6.020 428 2HD ARG 56 2HD ARG 56 1.942 11.037 5.383 429 HE ARG 56 HE ARG 56 0.803 13.666 5.700 430 1HH1 ARG 56 1HH1 ARG 56 3.234 11.758 4.042 431 2HH1 ARG 56 2HH1 ARG 56 4.190 13.136 3.589 432 1HH2 ARG 56 1HH2 ARG 56 2.093 15.468 5.149 433 2HH2 ARG 56 2HH2 ARG 56 3.559 15.237 4.252 434 H PHE 57 H PHE 57 0.056 10.273 0.384 435 HA PHE 57 HA PHE 57 2.198 8.373 -0.061 436 1HB PHE 57 1HB PHE 57 0.844 9.047 -1.974 437 2HB PHE 57 2HB PHE 57 1.258 10.736 -1.703 438 HD1 PHE 57 HD1 PHE 57 2.810 11.619 -3.130 439 HD2 PHE 57 HD2 PHE 57 3.065 7.491 -2.128 440 HE1 PHE 57 HE1 PHE 57 4.761 11.384 -4.608 441 HE2 PHE 57 HE2 PHE 57 5.020 7.250 -3.603 442 HZ PHE 57 HZ PHE 57 5.869 9.199 -4.846 443 H CYS 58 H CYS 58 3.996 8.681 1.083 444 HA CYS 58 HA CYS 58 4.761 11.381 1.842 445 1HB CYS 58 1HB CYS 58 5.896 8.699 2.633 446 2HB CYS 58 2HB CYS 58 6.436 10.250 3.274 447 HG CYS 58 HG CYS 58 3.986 8.335 4.280 448 H HIS 59 H HIS 59 6.425 8.572 0.340 449 HA HIS 59 HA HIS 59 7.858 10.338 -1.415 450 1HB HIS 59 1HB HIS 59 10.101 9.856 -0.627 451 2HB HIS 59 2HB HIS 59 9.170 10.606 0.657 452 HD1 HIS 59 HD1 HIS 59 9.188 9.422 2.862 453 HD2 HIS 59 HD2 HIS 59 10.388 6.957 -0.268 454 HE1 HIS 59 HE1 HIS 59 9.929 7.266 3.934 455 HE2 HIS 59 HE2 HIS 59 10.807 5.855 2.031 456 H SER 60 H SER 60 9.714 9.047 -2.478 457 HA SER 60 HA SER 60 9.003 6.215 -2.823 458 1HB SER 60 1HB SER 60 9.880 8.033 -5.080 459 2HB SER 60 2HB SER 60 9.267 6.383 -5.204 460 HG SER 60 HG SER 60 7.842 8.721 -4.441 461 H GLU 61 H GLU 61 10.832 4.853 -3.231 462 HA GLU 61 HA GLU 61 13.458 6.114 -3.235 463 1HB GLU 61 1HB GLU 61 14.203 4.789 -1.263 464 2HB GLU 61 2HB GLU 61 13.014 6.022 -0.872 465 1HG GLU 61 1HG GLU 61 11.260 4.287 -0.882 466 2HG GLU 61 2HG GLU 61 12.502 3.071 -1.175 467 H LYS 62 H LYS 62 15.217 4.423 -3.393 468 HA LYS 62 HA LYS 62 14.633 2.639 -5.477 469 1HB LYS 62 1HB LYS 62 16.903 1.801 -5.210 470 2HB LYS 62 2HB LYS 62 16.882 3.554 -5.125 471 1HG LYS 62 1HG LYS 62 18.273 3.142 -3.400 472 2HG LYS 62 2HG LYS 62 16.748 3.037 -2.522 473 1HD LYS 62 1HD LYS 62 16.772 0.636 -2.659 474 2HD LYS 62 2HD LYS 62 18.185 0.668 -3.717 475 1HE LYS 62 1HE LYS 62 19.455 1.751 -1.864 476 2HE LYS 62 2HE LYS 62 18.054 1.502 -0.823 477 1HZ LYS 62 1HZ LYS 62 19.397 -0.726 -2.243 478 2HZ LYS 62 2HZ LYS 62 19.858 -0.223 -0.694 479 3HZ LYS 62 3HZ LYS 62 18.297 -0.820 -0.957 480 H ALA 63 H ALA 63 14.665 0.326 -5.477 481 HA ALA 63 HA ALA 63 13.377 -0.637 -3.010 482 1HB ALA 63 1HB ALA 63 11.792 -0.170 -4.813 483 2HB ALA 63 2HB ALA 63 12.648 -1.313 -5.847 484 3HB ALA 63 3HB ALA 63 11.834 -1.882 -4.390 485 HA PRO 64 HA PRO 64 16.255 -4.081 -3.175 486 1HB PRO 64 1HB PRO 64 14.272 -5.268 -1.331 487 2HB PRO 64 2HB PRO 64 16.002 -5.001 -1.095 488 1HG PRO 64 1HG PRO 64 14.169 -3.515 0.180 489 2HG PRO 64 2HG PRO 64 15.704 -2.825 -0.379 490 1HD PRO 64 1HD PRO 64 12.975 -2.605 -1.584 491 2HD PRO 64 2HD PRO 64 14.247 -1.374 -1.440 492 H ASP 65 H ASP 65 16.216 -5.942 -4.363 493 HA ASP 65 HA ASP 65 14.115 -6.302 -6.204 494 1HB ASP 65 1HB ASP 65 16.480 -6.947 -6.609 495 2HB ASP 65 2HB ASP 65 16.298 -8.269 -5.461 496 H GLU 66 H GLU 66 14.721 -7.675 -3.082 497 HA GLU 66 HA GLU 66 13.114 -9.940 -3.147 498 1HB GLU 66 1HB GLU 66 14.638 -9.402 -1.307 499 2HB GLU 66 2HB GLU 66 13.605 -8.059 -0.836 500 1HG GLU 66 1HG GLU 66 11.867 -9.517 -0.160 501 2HG GLU 66 2HG GLU 66 12.657 -10.908 -0.902 502 H VAL 67 H VAL 67 12.193 -6.574 -2.355 503 HA VAL 67 HA VAL 67 9.454 -7.344 -1.921 504 HB VAL 67 HB VAL 67 8.934 -5.009 -1.629 505 1HG1 VAL 67 1HG1 VAL 67 10.484 -4.436 0.189 506 2HG1 VAL 67 2HG1 VAL 67 9.957 -6.118 0.251 507 3HG1 VAL 67 3HG1 VAL 67 11.566 -5.720 -0.352 508 1HG2 VAL 67 1HG2 VAL 67 11.734 -4.411 -2.579 509 2HG2 VAL 67 2HG2 VAL 67 10.239 -4.048 -3.444 510 3HG2 VAL 67 3HG2 VAL 67 10.595 -3.237 -1.918 511 H ILE 68 H ILE 68 11.380 -6.217 -4.574 512 HA ILE 68 HA ILE 68 9.347 -5.424 -6.346 513 HB ILE 68 HB ILE 68 12.035 -6.679 -6.939 514 1HG1 ILE 68 1HG1 ILE 68 12.204 -4.566 -5.729 515 2HG1 ILE 68 2HG1 ILE 68 12.746 -4.365 -7.392 516 1HG2 ILE 68 1HG2 ILE 68 10.165 -5.224 -8.802 517 2HG2 ILE 68 2HG2 ILE 68 11.800 -5.759 -9.191 518 3HG2 ILE 68 3HG2 ILE 68 10.544 -6.946 -8.838 519 1HD1 ILE 68 1HD1 ILE 68 10.565 -3.379 -7.953 520 2HD1 ILE 68 2HD1 ILE 68 10.091 -3.521 -6.259 521 3HD1 ILE 68 3HD1 ILE 68 11.431 -2.470 -6.718 522 H GLU 69 H GLU 69 10.723 -8.552 -5.551 523 HA GLU 69 HA GLU 69 9.669 -10.155 -7.539 524 1HB GLU 69 1HB GLU 69 11.234 -10.709 -5.540 525 2HB GLU 69 2HB GLU 69 9.744 -11.068 -4.680 526 1HG GLU 69 1HG GLU 69 10.611 -13.104 -5.550 527 2HG GLU 69 2HG GLU 69 9.172 -12.685 -6.481 528 H ALA 70 H ALA 70 8.129 -8.935 -4.616 529 HA ALA 70 HA ALA 70 5.723 -10.471 -5.045 530 1HB ALA 70 1HB ALA 70 6.506 -9.982 -2.777 531 2HB ALA 70 2HB ALA 70 6.276 -8.258 -3.073 532 3HB ALA 70 3HB ALA 70 4.886 -9.344 -3.059 533 H ILE 71 H ILE 71 6.783 -7.127 -5.468 534 HA ILE 71 HA ILE 71 4.269 -5.983 -5.967 535 HB ILE 71 HB ILE 71 6.980 -5.111 -6.984 536 1HG1 ILE 71 1HG1 ILE 71 5.347 -4.172 -4.615 537 2HG1 ILE 71 2HG1 ILE 71 6.757 -5.223 -4.520 538 1HG2 ILE 71 1HG2 ILE 71 5.944 -2.902 -7.294 539 2HG2 ILE 71 2HG2 ILE 71 5.214 -4.125 -8.334 540 3HG2 ILE 71 3HG2 ILE 71 4.374 -3.590 -6.878 541 1HD1 ILE 71 1HD1 ILE 71 8.141 -3.429 -5.439 542 2HD1 ILE 71 2HD1 ILE 71 6.724 -2.380 -5.507 543 3HD1 ILE 71 3HD1 ILE 71 7.332 -2.942 -3.948 544 H LYS 72 H LYS 72 6.594 -7.508 -8.158 545 HA LYS 72 HA LYS 72 5.396 -6.772 -10.581 546 1HB LYS 72 1HB LYS 72 6.954 -9.264 -9.900 547 2HB LYS 72 2HB LYS 72 6.546 -8.759 -11.533 548 1HG LYS 72 1HG LYS 72 7.876 -6.771 -11.295 549 2HG LYS 72 2HG LYS 72 8.211 -7.154 -9.608 550 1HD LYS 72 1HD LYS 72 9.056 -8.774 -12.010 551 2HD LYS 72 2HD LYS 72 10.105 -7.778 -10.998 552 1HE LYS 72 1HE LYS 72 9.584 -9.195 -9.073 553 2HE LYS 72 2HE LYS 72 8.542 -10.189 -10.088 554 1HZ LYS 72 1HZ LYS 72 11.478 -9.856 -10.348 555 2HZ LYS 72 2HZ LYS 72 10.650 -11.245 -9.839 556 3HZ LYS 72 3HZ LYS 72 10.507 -10.716 -11.446 557 H GLN 73 H GLN 73 4.725 -9.451 -8.421 558 HA GLN 73 HA GLN 73 2.843 -10.619 -10.307 559 1HB GLN 73 1HB GLN 73 4.362 -12.103 -9.095 560 2HB GLN 73 2HB GLN 73 3.715 -11.536 -7.563 561 1HG GLN 73 1HG GLN 73 2.792 -13.691 -8.105 562 2HG GLN 73 2HG GLN 73 1.527 -12.467 -8.154 563 1HE2 GLN 73 2HE2 GLN 73 0.624 -11.889 -10.130 564 2HE2 GLN 73 1HE2 GLN 73 0.823 -12.860 -11.549 565 H ASN 74 H ASN 74 2.797 -9.256 -7.018 566 HA ASN 74 HA ASN 74 -0.056 -9.647 -6.788 567 1HB ASN 74 1HB ASN 74 1.905 -8.221 -4.977 568 2HB ASN 74 2HB ASN 74 0.211 -8.498 -4.594 569 1HD2 ASN 74 2HD2 ASN 74 2.653 -9.377 -3.255 570 2HD2 ASN 74 1HD2 ASN 74 2.558 -11.104 -3.161 571 H GLY 75 H GLY 75 2.115 -7.038 -7.578 572 1HA GLY 75 1HA GLY 75 1.480 -5.040 -8.664 573 2HA GLY 75 2HA GLY 75 -0.172 -5.287 -8.109 574 H TYR 76 H TYR 76 1.377 -5.981 -5.453 575 HA TYR 76 HA TYR 76 2.139 -3.365 -4.524 576 1HB TYR 76 1HB TYR 76 0.402 -3.211 -2.795 577 2HB TYR 76 2HB TYR 76 -0.319 -3.214 -4.402 578 HD1 TYR 76 HD1 TYR 76 0.073 -5.072 -1.272 579 HD2 TYR 76 HD2 TYR 76 -1.643 -5.128 -5.166 580 HE1 TYR 76 HE1 TYR 76 -1.368 -6.946 -0.603 581 HE2 TYR 76 HE2 TYR 76 -3.088 -7.006 -4.505 582 HH TYR 76 HH TYR 76 -3.165 -8.783 -2.857 583 H PHE 77 H PHE 77 2.989 -3.433 -2.355 584 HA PHE 77 HA PHE 77 3.315 -6.130 -1.229 585 1HB PHE 77 1HB PHE 77 5.437 -5.370 -2.272 586 2HB PHE 77 2HB PHE 77 5.411 -3.938 -1.248 587 HD1 PHE 77 HD1 PHE 77 6.171 -4.016 0.991 588 HD2 PHE 77 HD2 PHE 77 5.739 -7.611 -1.245 589 HE1 PHE 77 HE1 PHE 77 7.386 -5.246 2.740 590 HE2 PHE 77 HE2 PHE 77 6.955 -8.847 0.501 591 HZ PHE 77 HZ PHE 77 7.780 -7.665 2.497 592 H ILE 78 H ILE 78 2.097 -6.145 0.541 593 HA ILE 78 HA ILE 78 1.587 -3.719 2.031 594 HB ILE 78 HB ILE 78 0.706 -6.560 2.576 595 1HG1 ILE 78 1HG1 ILE 78 -0.248 -5.632 0.519 596 2HG1 ILE 78 2HG1 ILE 78 -1.483 -5.805 1.762 597 1HG2 ILE 78 1HG2 ILE 78 0.777 -5.261 4.633 598 2HG2 ILE 78 2HG2 ILE 78 -0.185 -3.989 3.878 599 3HG2 ILE 78 3HG2 ILE 78 -0.891 -5.582 4.155 600 1HD1 ILE 78 1HD1 ILE 78 -1.356 -3.420 2.230 601 2HD1 ILE 78 2HD1 ILE 78 -0.097 -3.242 1.008 602 3HD1 ILE 78 3HD1 ILE 78 -1.726 -3.720 0.532 603 H TYR 79 H TYR 79 3.464 -3.082 2.991 604 HA TYR 79 HA TYR 79 4.969 -4.874 4.669 605 1HB TYR 79 1HB TYR 79 6.181 -3.076 3.628 606 2HB TYR 79 2HB TYR 79 5.057 -1.879 4.259 607 HD1 TYR 79 HD1 TYR 79 5.791 -0.619 6.034 608 HD2 TYR 79 HD2 TYR 79 7.300 -4.571 5.584 609 HE1 TYR 79 HE1 TYR 79 7.232 -0.283 7.996 610 HE2 TYR 79 HE2 TYR 79 8.749 -4.247 7.544 611 HH TYR 79 HH TYR 79 8.452 -1.450 9.609 612 H LYS 80 H LYS 80 3.743 -5.676 6.277 613 HA LYS 80 HA LYS 80 1.804 -4.193 7.704 614 1HB LYS 80 1HB LYS 80 3.238 -6.745 8.442 615 2HB LYS 80 2HB LYS 80 1.876 -6.081 9.328 616 1HG LYS 80 1HG LYS 80 0.481 -6.318 7.315 617 2HG LYS 80 2HG LYS 80 1.853 -7.050 6.478 618 1HD LYS 80 1HD LYS 80 1.913 -8.842 8.140 619 2HD LYS 80 2HD LYS 80 0.556 -8.107 8.992 620 1HE LYS 80 1HE LYS 80 -0.854 -8.437 7.019 621 2HE LYS 80 2HE LYS 80 0.505 -9.175 6.171 622 1HZ LYS 80 1HZ LYS 80 -0.977 -10.843 7.107 623 2HZ LYS 80 2HZ LYS 80 0.555 -10.927 7.834 624 3HZ LYS 80 3HZ LYS 80 -0.743 -10.212 8.663 625 H MET 81 H MET 81 2.621 -2.332 8.529 626 HA MET 81 HA MET 81 4.953 -2.337 10.209 627 1HB MET 81 1HB MET 81 4.496 -0.365 8.871 628 2HB MET 81 2HB MET 81 2.911 -0.189 9.611 629 1HG MET 81 1HG MET 81 4.008 0.213 11.781 630 2HG MET 81 2HG MET 81 5.574 0.125 10.977 631 1HE MET 81 1HE MET 81 4.871 1.575 8.194 632 2HE MET 81 2HE MET 81 6.358 1.834 9.109 633 3HE MET 81 3HE MET 81 5.398 3.215 8.575 634 H GLU 82 H GLU 82 4.914 -1.769 12.470 635 HA GLU 82 HA GLU 82 3.073 -3.146 14.039 636 1HB GLU 82 1HB GLU 82 3.950 -1.552 15.896 637 2HB GLU 82 2HB GLU 82 5.058 -2.687 15.143 638 1HG GLU 82 1HG GLU 82 4.837 0.072 14.045 639 2HG GLU 82 2HG GLU 82 5.740 -0.196 15.535 640 H GLY 83 H GLY 83 1.224 -2.614 15.087 641 1HA GLY 83 1HA GLY 83 -0.271 -0.708 15.789 642 2HA GLY 83 2HA GLY 83 -0.051 -0.122 14.143 643 H CYS 84 H CYS 84 -0.032 -2.868 13.088 644 HA CYS 84 HA CYS 84 -2.917 -3.399 13.202 645 1HB CYS 84 1HB CYS 84 -2.522 -4.718 11.125 646 2HB CYS 84 2HB CYS 84 -2.074 -3.025 10.961 647 HG CYS 84 HG CYS 84 0.653 -3.441 11.069 648 H ASN 85 H ASN 85 -0.685 -4.193 15.099 649 HA ASN 85 HA ASN 85 -1.176 -7.095 15.084 650 1HB ASN 85 1HB ASN 85 1.161 -6.641 14.528 651 2HB ASN 85 2HB ASN 85 1.323 -5.620 15.953 652 1HD2 ASN 85 2HD2 ASN 85 2.975 -6.834 16.794 653 2HD2 ASN 85 1HD2 ASN 85 2.740 -8.414 17.458 Start of MODEL 14 1 H MET 1 H MET 1 14.701 0.415 -9.118 2 HA MET 1 HA MET 1 12.088 1.342 -10.143 3 1HB MET 1 1HB MET 1 12.518 -1.061 -10.402 4 2HB MET 1 2HB MET 1 12.941 -1.179 -8.701 5 1HG MET 1 1HG MET 1 10.685 -0.690 -8.048 6 2HG MET 1 2HG MET 1 10.229 -0.369 -9.723 7 1HE MET 1 1HE MET 1 8.159 -2.096 -9.356 8 2HE MET 1 2HE MET 1 8.714 -2.404 -7.711 9 3HE MET 1 3HE MET 1 8.383 -3.753 -8.796 10 H GLN 2 H GLN 2 11.599 3.041 -8.905 11 HA GLN 2 HA GLN 2 12.127 2.897 -6.033 12 1HB GLN 2 1HB GLN 2 11.690 5.313 -5.980 13 2HB GLN 2 2HB GLN 2 12.974 4.912 -7.104 14 1HG GLN 2 1HG GLN 2 10.128 5.478 -7.909 15 2HG GLN 2 2HG GLN 2 11.419 6.674 -7.897 16 1HE2 GLN 2 2HE2 GLN 2 9.794 5.723 -10.101 17 2HE2 GLN 2 1HE2 GLN 2 10.882 5.064 -11.276 18 H ILE 3 H ILE 3 10.570 2.389 -4.706 19 HA ILE 3 HA ILE 3 7.964 1.863 -5.780 20 HB ILE 3 HB ILE 3 7.464 1.033 -3.459 21 1HG1 ILE 3 1HG1 ILE 3 10.406 1.646 -3.076 22 2HG1 ILE 3 2HG1 ILE 3 9.066 2.383 -2.207 23 1HG2 ILE 3 1HG2 ILE 3 8.880 -0.964 -3.722 24 2HG2 ILE 3 2HG2 ILE 3 8.128 -0.452 -5.234 25 3HG2 ILE 3 3HG2 ILE 3 9.829 -0.102 -4.933 26 1HD1 ILE 3 1HD1 ILE 3 8.533 0.229 -1.197 27 2HD1 ILE 3 2HD1 ILE 3 9.881 -0.507 -2.064 28 3HD1 ILE 3 3HD1 ILE 3 10.188 0.728 -0.844 29 H HIS 4 H HIS 4 6.226 3.028 -5.649 30 HA HIS 4 HA HIS 4 6.175 5.503 -4.150 31 1HB HIS 4 1HB HIS 4 3.925 4.164 -5.684 32 2HB HIS 4 2HB HIS 4 3.996 5.846 -5.169 33 HD1 HIS 4 HD1 HIS 4 3.828 4.523 -8.179 34 HD2 HIS 4 HD2 HIS 4 7.022 6.486 -6.379 35 HE1 HIS 4 HE1 HIS 4 5.259 5.369 -10.068 36 HE2 HIS 4 HE2 HIS 4 7.227 6.492 -8.957 37 H VAL 5 H VAL 5 5.867 5.359 -2.024 38 HA VAL 5 HA VAL 5 4.446 3.024 -0.993 39 HB VAL 5 HB VAL 5 6.003 5.026 0.625 40 1HG1 VAL 5 1HG1 VAL 5 6.117 3.173 2.228 41 2HG1 VAL 5 2HG1 VAL 5 4.456 3.648 1.872 42 3HG1 VAL 5 3HG1 VAL 5 5.130 2.191 1.145 43 1HG2 VAL 5 1HG2 VAL 5 7.888 3.465 0.543 44 2HG2 VAL 5 2HG2 VAL 5 7.005 2.459 -0.606 45 3HG2 VAL 5 3HG2 VAL 5 7.496 4.092 -1.057 46 H TYR 6 H TYR 6 2.372 3.296 -0.692 47 HA TYR 6 HA TYR 6 1.394 5.838 0.394 48 1HB TYR 6 1HB TYR 6 -0.100 3.498 -0.815 49 2HB TYR 6 2HB TYR 6 -0.864 4.946 -0.169 50 HD1 TYR 6 HD1 TYR 6 1.351 3.674 -2.849 51 HD2 TYR 6 HD2 TYR 6 -0.999 6.940 -1.459 52 HE1 TYR 6 HE1 TYR 6 1.570 4.760 -5.043 53 HE2 TYR 6 HE2 TYR 6 -0.782 8.035 -3.651 54 HH TYR 6 HH TYR 6 0.667 8.013 -5.589 55 H ASP 7 H ASP 7 2.096 5.559 2.524 56 HA ASP 7 HA ASP 7 1.448 3.229 4.048 57 1HB ASP 7 1HB ASP 7 3.365 4.583 4.691 58 2HB ASP 7 2HB ASP 7 2.336 5.990 4.919 59 H THR 8 H THR 8 -0.615 2.755 4.223 60 HA THR 8 HA THR 8 -2.606 4.863 4.344 61 HB THR 8 HB THR 8 -3.055 1.875 4.253 62 HG1 THR 8 HG1 THR 8 -1.788 3.088 2.461 63 1HG2 THR 8 1HG2 THR 8 -5.226 2.502 3.301 64 2HG2 THR 8 2HG2 THR 8 -5.012 3.206 4.903 65 3HG2 THR 8 3HG2 THR 8 -4.811 4.207 3.464 66 H TYR 9 H TYR 9 -3.201 5.644 6.233 67 HA TYR 9 HA TYR 9 -2.769 4.142 8.674 68 1HB TYR 9 1HB TYR 9 -3.980 6.894 8.316 69 2HB TYR 9 2HB TYR 9 -3.396 6.193 9.821 70 HD1 TYR 9 HD1 TYR 9 -0.938 5.745 10.079 71 HD2 TYR 9 HD2 TYR 9 -2.507 8.005 6.838 72 HE1 TYR 9 HE1 TYR 9 1.298 6.666 9.647 73 HE2 TYR 9 HE2 TYR 9 -0.273 8.934 6.394 74 HH TYR 9 HH TYR 9 2.531 7.633 7.660 75 H VAL 10 H VAL 10 -4.255 2.461 8.495 76 HA VAL 10 HA VAL 10 -7.074 3.102 8.147 77 HB VAL 10 HB VAL 10 -5.727 0.420 8.525 78 1HG1 VAL 10 1HG1 VAL 10 -7.823 -0.528 7.701 79 2HG1 VAL 10 2HG1 VAL 10 -8.067 0.379 9.195 80 3HG1 VAL 10 3HG1 VAL 10 -8.534 1.086 7.648 81 1HG2 VAL 10 1HG2 VAL 10 -6.675 1.785 6.013 82 2HG2 VAL 10 2HG2 VAL 10 -4.999 1.494 6.477 83 3HG2 VAL 10 3HG2 VAL 10 -6.063 0.134 6.117 84 H LYS 11 H LYS 11 -8.006 3.882 9.960 85 HA LYS 11 HA LYS 11 -7.297 2.952 12.571 86 1HB LYS 11 1HB LYS 11 -9.735 4.512 11.683 87 2HB LYS 11 2HB LYS 11 -9.194 4.304 13.346 88 1HG LYS 11 1HG LYS 11 -7.141 5.510 12.845 89 2HG LYS 11 2HG LYS 11 -7.645 5.689 11.165 90 1HD LYS 11 1HD LYS 11 -9.615 6.970 11.933 91 2HD LYS 11 2HD LYS 11 -9.016 6.850 13.590 92 1HE LYS 11 1HE LYS 11 -6.952 8.005 12.900 93 2HE LYS 11 2HE LYS 11 -7.604 8.165 11.270 94 1HZ LYS 11 1HZ LYS 11 -9.429 9.480 12.186 95 2HZ LYS 11 2HZ LYS 11 -8.756 9.353 13.739 96 3HZ LYS 11 3HZ LYS 11 -7.928 10.191 12.518 97 H ALA 12 H ALA 12 -7.630 0.881 13.005 98 HA ALA 12 HA ALA 12 -9.555 -0.726 11.687 99 1HB ALA 12 1HB ALA 12 -8.797 -2.511 13.160 100 2HB ALA 12 2HB ALA 12 -7.425 -1.609 12.516 101 3HB ALA 12 3HB ALA 12 -7.959 -1.336 14.174 102 H LYS 13 H LYS 13 -11.086 -2.156 12.926 103 HA LYS 13 HA LYS 13 -13.150 -0.610 13.973 104 1HB LYS 13 1HB LYS 13 -14.190 -2.757 14.631 105 2HB LYS 13 2HB LYS 13 -13.568 -2.781 12.987 106 1HG LYS 13 1HG LYS 13 -11.670 -4.078 13.653 107 2HG LYS 13 2HG LYS 13 -12.098 -3.916 15.358 108 1HD LYS 13 1HD LYS 13 -12.758 -6.098 14.591 109 2HD LYS 13 2HD LYS 13 -14.207 -5.137 14.889 110 1HE LYS 13 1HE LYS 13 -14.568 -6.276 12.848 111 2HE LYS 13 2HE LYS 13 -14.214 -4.602 12.427 112 1HZ LYS 13 1HZ LYS 13 -11.944 -5.244 11.900 113 2HZ LYS 13 2HZ LYS 13 -12.273 -6.846 12.337 114 3HZ LYS 13 3HZ LYS 13 -13.045 -6.167 10.994 115 H ASP 14 H ASP 14 -10.544 -2.279 15.596 116 HA ASP 14 HA ASP 14 -11.561 -2.148 18.229 117 1HB ASP 14 1HB ASP 14 -8.674 -2.220 17.332 118 2HB ASP 14 2HB ASP 14 -9.275 -2.635 18.933 119 H GLY 15 H GLY 15 -10.115 0.209 16.177 120 1HA GLY 15 1HA GLY 15 -10.278 2.532 16.725 121 2HA GLY 15 2HA GLY 15 -10.110 2.110 18.422 122 H HIS 16 H HIS 16 -7.889 0.217 17.003 123 HA HIS 16 HA HIS 16 -5.793 2.163 17.554 124 1HB HIS 16 1HB HIS 16 -4.233 0.333 17.652 125 2HB HIS 16 2HB HIS 16 -5.638 -0.074 18.619 126 HD1 HIS 16 HD1 HIS 16 -6.627 -2.313 18.210 127 HD2 HIS 16 HD2 HIS 16 -4.193 -1.076 15.072 128 HE1 HIS 16 HE1 HIS 16 -6.445 -4.292 16.668 129 HE2 HIS 16 HE2 HIS 16 -4.722 -3.608 14.966 130 H VAL 17 H VAL 17 -4.018 2.496 16.107 131 HA VAL 17 HA VAL 17 -5.040 2.857 13.429 132 HB VAL 17 HB VAL 17 -2.351 3.655 14.555 133 1HG1 VAL 17 1HG1 VAL 17 -2.365 3.582 12.129 134 2HG1 VAL 17 2HG1 VAL 17 -3.824 4.574 12.088 135 3HG1 VAL 17 3HG1 VAL 17 -2.311 5.253 12.689 136 1HG2 VAL 17 1HG2 VAL 17 -3.332 5.885 14.835 137 2HG2 VAL 17 2HG2 VAL 17 -4.901 5.253 14.337 138 3HG2 VAL 17 3HG2 VAL 17 -4.154 4.682 15.829 139 H MET 18 H MET 18 -4.961 1.171 12.124 140 HA MET 18 HA MET 18 -2.572 -0.514 12.044 141 1HB MET 18 1HB MET 18 -5.348 -0.772 10.919 142 2HB MET 18 2HB MET 18 -4.030 -1.727 10.256 143 1HG MET 18 1HG MET 18 -4.964 -1.736 13.112 144 2HG MET 18 2HG MET 18 -5.284 -2.980 11.905 145 1HE MET 18 1HE MET 18 -3.223 -4.278 10.638 146 2HE MET 18 2HE MET 18 -1.545 -4.130 11.158 147 3HE MET 18 3HE MET 18 -2.363 -2.756 10.412 148 H HIS 19 H HIS 19 -1.104 0.889 11.063 149 HA HIS 19 HA HIS 19 -1.828 1.650 8.321 150 1HB HIS 19 1HB HIS 19 -0.352 3.486 8.398 151 2HB HIS 19 2HB HIS 19 -1.219 3.521 9.925 152 HD1 HIS 19 HD1 HIS 19 2.095 3.626 8.507 153 HD2 HIS 19 HD2 HIS 19 0.422 2.446 12.133 154 HE1 HIS 19 HE1 HIS 19 3.997 3.609 10.164 155 HE2 HIS 19 HE2 HIS 19 2.925 3.071 12.389 156 H PHE 20 H PHE 20 -0.224 1.427 6.697 157 HA PHE 20 HA PHE 20 1.922 -0.425 7.133 158 1HB PHE 20 1HB PHE 20 0.928 -2.144 5.571 159 2HB PHE 20 2HB PHE 20 0.154 -2.043 7.148 160 HD1 PHE 20 HD1 PHE 20 -0.215 -1.368 3.566 161 HD2 PHE 20 HD2 PHE 20 -2.108 -1.262 7.373 162 HE1 PHE 20 HE1 PHE 20 -2.395 -1.059 2.469 163 HE2 PHE 20 HE2 PHE 20 -4.290 -0.951 6.283 164 HZ PHE 20 HZ PHE 20 -4.436 -0.849 3.828 165 H ASP 21 H ASP 21 3.080 -0.866 5.114 166 HA ASP 21 HA ASP 21 2.979 1.550 3.474 167 1HB ASP 21 1HB ASP 21 5.122 -0.545 3.871 168 2HB ASP 21 2HB ASP 21 5.262 0.779 2.722 169 H VAL 22 H VAL 22 1.673 1.323 1.782 170 HA VAL 22 HA VAL 22 1.506 -1.137 0.280 171 HB VAL 22 HB VAL 22 0.430 1.605 -0.428 172 1HG1 VAL 22 1HG1 VAL 22 -1.078 0.382 -1.933 173 2HG1 VAL 22 2HG1 VAL 22 0.615 0.150 -2.372 174 3HG1 VAL 22 3HG1 VAL 22 -0.259 -1.123 -1.520 175 1HG2 VAL 22 1HG2 VAL 22 -1.728 0.744 0.389 176 2HG2 VAL 22 2HG2 VAL 22 -0.912 -0.715 0.951 177 3HG2 VAL 22 3HG2 VAL 22 -0.515 0.847 1.666 178 H PHE 23 H PHE 23 3.315 -1.677 -0.776 179 HA PHE 23 HA PHE 23 4.910 0.378 -2.091 180 1HB PHE 23 1HB PHE 23 5.367 -2.600 -1.818 181 2HB PHE 23 2HB PHE 23 6.492 -1.467 -2.552 182 HD1 PHE 23 HD1 PHE 23 6.292 0.780 -0.605 183 HD2 PHE 23 HD2 PHE 23 6.564 -3.422 -0.018 184 HE1 PHE 23 HE1 PHE 23 7.370 1.157 1.571 185 HE2 PHE 23 HE2 PHE 23 7.641 -3.054 2.160 186 HZ PHE 23 HZ PHE 23 8.047 -0.762 2.958 187 H THR 24 H THR 24 4.376 0.960 -4.112 188 HA THR 24 HA THR 24 4.212 -1.200 -6.056 189 HB THR 24 HB THR 24 1.849 -0.710 -5.565 190 HG1 THR 24 HG1 THR 24 1.871 -1.299 -7.614 191 1HG2 THR 24 1HG2 THR 24 2.481 2.071 -6.566 192 2HG2 THR 24 2HG2 THR 24 0.872 1.446 -6.202 193 3HG2 THR 24 3HG2 THR 24 2.057 1.641 -4.910 194 H ASP 25 H ASP 25 5.067 -0.678 -8.034 195 HA ASP 25 HA ASP 25 6.580 1.806 -8.140 196 1HB ASP 25 1HB ASP 25 7.668 -0.334 -8.742 197 2HB ASP 25 2HB ASP 25 6.517 -0.541 -10.057 198 H VAL 26 H VAL 26 3.651 0.537 -9.242 199 HA VAL 26 HA VAL 26 3.332 1.931 -11.682 200 HB VAL 26 HB VAL 26 1.198 1.001 -9.743 201 1HG1 VAL 26 1HG1 VAL 26 1.011 1.634 -12.685 202 2HG1 VAL 26 2HG1 VAL 26 -0.288 0.994 -11.680 203 3HG1 VAL 26 3HG1 VAL 26 0.350 2.610 -11.374 204 1HG2 VAL 26 1HG2 VAL 26 1.061 -1.002 -11.147 205 2HG2 VAL 26 2HG2 VAL 26 2.415 -0.415 -12.112 206 3HG2 VAL 26 3HG2 VAL 26 2.655 -0.830 -10.414 207 H ARG 27 H ARG 27 2.524 3.956 -12.113 208 HA ARG 27 HA ARG 27 2.291 5.737 -9.799 209 1HB ARG 27 1HB ARG 27 3.855 6.451 -11.526 210 2HB ARG 27 2HB ARG 27 2.588 6.366 -12.741 211 1HG ARG 27 1HG ARG 27 1.364 8.140 -11.536 212 2HG ARG 27 2HG ARG 27 2.715 8.264 -10.409 213 1HD ARG 27 1HD ARG 27 4.183 9.003 -12.124 214 2HD ARG 27 2HD ARG 27 3.013 8.606 -13.383 215 HE ARG 27 HE ARG 27 2.368 10.668 -11.394 216 1HH1 ARG 27 1HH1 ARG 27 3.103 9.768 -14.695 217 2HH1 ARG 27 2HH1 ARG 27 2.450 11.232 -15.372 218 1HH2 ARG 27 1HH2 ARG 27 1.550 12.606 -12.258 219 2HH2 ARG 27 2HH2 ARG 27 1.567 12.854 -13.984 220 H ASP 28 H ASP 28 0.233 5.112 -9.140 221 HA ASP 28 HA ASP 28 -1.845 6.645 -10.365 222 1HB ASP 28 1HB ASP 28 -1.798 4.403 -11.642 223 2HB ASP 28 2HB ASP 28 -2.422 3.694 -10.155 224 H ASP 29 H ASP 29 -2.441 7.635 -8.578 225 HA ASP 29 HA ASP 29 -2.125 6.587 -5.981 226 1HB ASP 29 1HB ASP 29 -3.277 8.600 -5.223 227 2HB ASP 29 2HB ASP 29 -2.111 9.005 -6.476 228 H LYS 30 H LYS 30 -4.894 6.798 -8.136 229 HA LYS 30 HA LYS 30 -6.824 6.009 -6.200 230 1HB LYS 30 1HB LYS 30 -7.302 7.281 -8.312 231 2HB LYS 30 2HB LYS 30 -7.016 5.798 -9.209 232 1HG LYS 30 1HG LYS 30 -8.888 4.731 -8.097 233 2HG LYS 30 2HG LYS 30 -9.154 6.177 -7.120 234 1HD LYS 30 1HD LYS 30 -9.570 7.461 -9.185 235 2HD LYS 30 2HD LYS 30 -9.369 5.982 -10.124 236 1HE LYS 30 1HE LYS 30 -11.468 6.445 -8.008 237 2HE LYS 30 2HE LYS 30 -11.732 6.537 -9.749 238 1HZ LYS 30 1HZ LYS 30 -12.445 4.416 -8.978 239 2HZ LYS 30 2HZ LYS 30 -11.029 4.182 -9.881 240 3HZ LYS 30 3HZ LYS 30 -10.973 4.126 -8.187 241 H LYS 31 H LYS 31 -4.786 4.321 -8.496 242 HA LYS 31 HA LYS 31 -6.048 1.787 -8.294 243 1HB LYS 31 1HB LYS 31 -4.293 2.729 -10.007 244 2HB LYS 31 2HB LYS 31 -3.126 2.077 -8.868 245 1HG LYS 31 1HG LYS 31 -4.012 -0.136 -9.137 246 2HG LYS 31 2HG LYS 31 -5.331 0.473 -10.140 247 1HD LYS 31 1HD LYS 31 -3.527 1.359 -11.700 248 2HD LYS 31 2HD LYS 31 -2.397 0.361 -10.785 249 1HE LYS 31 1HE LYS 31 -3.612 -1.634 -11.360 250 2HE LYS 31 2HE LYS 31 -4.880 -0.685 -12.133 251 1HZ LYS 31 1HZ LYS 31 -3.482 -1.535 -13.826 252 2HZ LYS 31 2HZ LYS 31 -3.142 0.124 -13.704 253 3HZ LYS 31 3HZ LYS 31 -2.075 -1.019 -13.040 254 H ALA 32 H ALA 32 -3.367 3.320 -6.563 255 HA ALA 32 HA ALA 32 -2.655 1.125 -4.948 256 1HB ALA 32 1HB ALA 32 -1.633 2.783 -3.464 257 2HB ALA 32 2HB ALA 32 -1.253 3.117 -5.154 258 3HB ALA 32 3HB ALA 32 -2.478 4.072 -4.320 259 H ILE 33 H ILE 33 -4.933 3.784 -4.453 260 HA ILE 33 HA ILE 33 -5.963 3.044 -1.965 261 HB ILE 33 HB ILE 33 -7.287 4.424 -4.304 262 1HG1 ILE 33 1HG1 ILE 33 -6.159 5.515 -1.717 263 2HG1 ILE 33 2HG1 ILE 33 -5.343 5.568 -3.276 264 1HG2 ILE 33 1HG2 ILE 33 -8.289 4.206 -1.470 265 2HG2 ILE 33 2HG2 ILE 33 -9.010 5.177 -2.753 266 3HG2 ILE 33 3HG2 ILE 33 -8.996 3.417 -2.880 267 1HD1 ILE 33 1HD1 ILE 33 -7.125 6.981 -4.158 268 2HD1 ILE 33 2HD1 ILE 33 -7.943 6.923 -2.596 269 3HD1 ILE 33 3HD1 ILE 33 -6.366 7.700 -2.738 270 H GLU 34 H GLU 34 -6.897 2.083 -5.233 271 HA GLU 34 HA GLU 34 -9.085 0.470 -4.672 272 1HB GLU 34 1HB GLU 34 -8.269 1.136 -6.943 273 2HB GLU 34 2HB GLU 34 -6.971 -0.037 -6.778 274 1HG GLU 34 1HG GLU 34 -8.712 -0.976 -8.119 275 2HG GLU 34 2HG GLU 34 -8.659 -1.824 -6.573 276 H PHE 35 H PHE 35 -5.640 -0.413 -4.828 277 HA PHE 35 HA PHE 35 -5.983 -3.146 -4.250 278 1HB PHE 35 1HB PHE 35 -3.595 -1.361 -3.749 279 2HB PHE 35 2HB PHE 35 -3.569 -3.117 -3.651 280 HD1 PHE 35 HD1 PHE 35 -2.153 -0.901 -5.506 281 HD2 PHE 35 HD2 PHE 35 -5.222 -3.802 -6.021 282 HE1 PHE 35 HE1 PHE 35 -1.637 -1.015 -7.908 283 HE2 PHE 35 HE2 PHE 35 -4.712 -3.923 -8.423 284 HZ PHE 35 HZ PHE 35 -2.916 -2.529 -9.370 285 H ALA 36 H ALA 36 -5.329 -0.381 -2.131 286 HA ALA 36 HA ALA 36 -4.907 -1.768 0.247 287 1HB ALA 36 1HB ALA 36 -4.436 0.613 -0.034 288 2HB ALA 36 2HB ALA 36 -6.167 0.948 -0.094 289 3HB ALA 36 3HB ALA 36 -5.441 0.316 1.384 290 H LYS 37 H LYS 37 -7.946 -0.631 -1.188 291 HA LYS 37 HA LYS 37 -9.609 -1.354 0.978 292 1HB LYS 37 1HB LYS 37 -10.299 -1.152 -1.959 293 2HB LYS 37 2HB LYS 37 -11.462 -1.226 -0.643 294 1HG LYS 37 1HG LYS 37 -10.536 0.879 0.245 295 2HG LYS 37 2HG LYS 37 -9.464 0.962 -1.150 296 1HD LYS 37 1HD LYS 37 -12.474 0.875 -1.331 297 2HD LYS 37 2HD LYS 37 -11.528 2.362 -1.340 298 1HE LYS 37 1HE LYS 37 -11.962 1.888 -3.601 299 2HE LYS 37 2HE LYS 37 -10.294 1.387 -3.334 300 1HZ LYS 37 1HZ LYS 37 -11.470 -0.262 -4.618 301 2HZ LYS 37 2HZ LYS 37 -11.084 -0.900 -3.103 302 3HZ LYS 37 3HZ LYS 37 -12.670 -0.401 -3.423 303 H GLN 38 H GLN 38 -8.324 -3.157 -1.724 304 HA GLN 38 HA GLN 38 -10.080 -5.388 -1.447 305 1HB GLN 38 1HB GLN 38 -7.391 -5.199 -2.818 306 2HB GLN 38 2HB GLN 38 -8.533 -6.527 -2.990 307 1HG GLN 38 1HG GLN 38 -10.179 -4.948 -3.927 308 2HG GLN 38 2HG GLN 38 -8.974 -3.668 -3.823 309 1HE2 GLN 38 2HE2 GLN 38 -7.228 -3.680 -5.236 310 2HE2 GLN 38 1HE2 GLN 38 -7.209 -4.645 -6.667 311 H TRP 39 H TRP 39 -7.013 -4.467 -0.050 312 HA TRP 39 HA TRP 39 -6.481 -7.053 1.072 313 1HB TRP 39 1HB TRP 39 -4.699 -5.363 0.593 314 2HB TRP 39 2HB TRP 39 -5.335 -4.380 1.908 315 HD1 TRP 39 HD1 TRP 39 -3.847 -7.926 1.401 316 HE1 TRP 39 HE1 TRP 39 -2.557 -8.562 3.534 317 HE3 TRP 39 HE3 TRP 39 -4.906 -3.814 4.247 318 HZ2 TRP 39 HZ2 TRP 39 -2.045 -7.460 6.086 319 HZ3 TRP 39 HZ3 TRP 39 -3.976 -3.681 6.520 320 HH2 TRP 39 HH2 TRP 39 -2.576 -5.467 7.420 321 H LEU 40 H LEU 40 -7.852 -4.012 2.259 322 HA LEU 40 HA LEU 40 -8.119 -4.776 4.953 323 1HB LEU 40 1HB LEU 40 -9.682 -2.769 3.337 324 2HB LEU 40 2HB LEU 40 -9.792 -2.930 5.079 325 HG LEU 40 HG LEU 40 -7.321 -2.150 3.530 326 1HD1 LEU 40 1HD1 LEU 40 -9.026 -0.408 3.599 327 2HD1 LEU 40 2HD1 LEU 40 -9.114 -0.559 5.354 328 3HD1 LEU 40 3HD1 LEU 40 -7.633 0.020 4.591 329 1HD2 LEU 40 1HD2 LEU 40 -7.770 -2.361 6.507 330 2HD2 LEU 40 2HD2 LEU 40 -6.781 -3.452 5.534 331 3HD2 LEU 40 3HD2 LEU 40 -6.312 -1.761 5.715 332 H SER 41 H SER 41 -10.218 -5.261 2.182 333 HA SER 41 HA SER 41 -12.431 -6.212 3.716 334 1HB SER 41 1HB SER 41 -13.145 -7.121 1.408 335 2HB SER 41 2HB SER 41 -13.007 -5.372 1.599 336 HG SER 41 HG SER 41 -11.407 -5.346 0.232 337 H SER 42 H SER 42 -9.575 -7.638 2.341 338 HA SER 42 HA SER 42 -10.471 -10.343 2.524 339 1HB SER 42 1HB SER 42 -7.679 -9.207 2.231 340 2HB SER 42 2HB SER 42 -8.109 -10.908 2.043 341 HG SER 42 HG SER 42 -8.612 -8.732 0.359 342 H ILE 43 H ILE 43 -8.628 -8.176 4.630 343 HA ILE 43 HA ILE 43 -8.034 -10.290 6.502 344 HB ILE 43 HB ILE 43 -7.125 -8.533 7.955 345 1HG1 ILE 43 1HG1 ILE 43 -7.999 -6.631 5.770 346 2HG1 ILE 43 2HG1 ILE 43 -8.713 -6.740 7.376 347 1HG2 ILE 43 1HG2 ILE 43 -5.700 -9.537 6.277 348 2HG2 ILE 43 2HG2 ILE 43 -6.238 -8.357 5.082 349 3HG2 ILE 43 3HG2 ILE 43 -5.295 -7.832 6.477 350 1HD1 ILE 43 1HD1 ILE 43 -6.610 -6.037 8.370 351 2HD1 ILE 43 2HD1 ILE 43 -5.875 -5.953 6.768 352 3HD1 ILE 43 3HD1 ILE 43 -7.187 -4.855 7.194 353 H GLY 44 H GLY 44 -10.654 -8.169 5.949 354 1HA GLY 44 1HA GLY 44 -12.778 -8.620 6.882 355 2HA GLY 44 2HA GLY 44 -11.987 -9.345 8.271 356 H GLU 45 H GLU 45 -11.125 -6.177 6.987 357 HA GLU 45 HA GLU 45 -12.141 -5.010 9.477 358 1HB GLU 45 1HB GLU 45 -10.119 -3.990 7.488 359 2HB GLU 45 2HB GLU 45 -10.772 -2.994 8.783 360 1HG GLU 45 1HG GLU 45 -9.070 -5.452 9.004 361 2HG GLU 45 2HG GLU 45 -8.719 -3.818 9.570 362 H GLU 46 H GLU 46 -11.676 -3.487 6.332 363 HA GLU 46 HA GLU 46 -13.053 -2.369 4.915 364 1HB GLU 46 1HB GLU 46 -15.256 -3.913 6.285 365 2HB GLU 46 2HB GLU 46 -15.411 -3.028 4.774 366 1HG GLU 46 1HG GLU 46 -13.937 -4.530 3.659 367 2HG GLU 46 2HG GLU 46 -13.518 -5.327 5.177 368 H GLY 47 H GLY 47 -12.974 -1.803 8.123 369 1HA GLY 47 1HA GLY 47 -15.161 0.128 8.210 370 2HA GLY 47 2HA GLY 47 -14.162 -0.372 9.566 371 H ALA 48 H ALA 48 -13.329 0.904 6.384 372 HA ALA 48 HA ALA 48 -12.313 3.359 7.532 373 1HB ALA 48 1HB ALA 48 -10.459 1.416 6.151 374 2HB ALA 48 2HB ALA 48 -10.046 3.053 6.665 375 3HB ALA 48 3HB ALA 48 -10.440 1.824 7.867 376 H THR 49 H THR 49 -12.700 4.969 6.139 377 HA THR 49 HA THR 49 -13.535 4.360 3.446 378 HB THR 49 HB THR 49 -13.061 7.090 4.667 379 HG1 THR 49 HG1 THR 49 -15.296 5.330 4.787 380 1HG2 THR 49 1HG2 THR 49 -14.809 6.184 2.372 381 2HG2 THR 49 2HG2 THR 49 -14.690 7.832 2.988 382 3HG2 THR 49 3HG2 THR 49 -13.293 7.070 2.226 383 H VAL 50 H VAL 50 -11.720 3.502 2.476 384 HA VAL 50 HA VAL 50 -9.143 4.662 2.721 385 HB VAL 50 HB VAL 50 -10.017 2.762 0.549 386 1HG1 VAL 50 1HG1 VAL 50 -7.339 3.246 1.858 387 2HG1 VAL 50 2HG1 VAL 50 -7.671 2.063 0.592 388 3HG1 VAL 50 3HG1 VAL 50 -7.818 3.788 0.248 389 1HG2 VAL 50 1HG2 VAL 50 -10.703 1.851 2.696 390 2HG2 VAL 50 2HG2 VAL 50 -9.334 0.946 2.050 391 3HG2 VAL 50 3HG2 VAL 50 -9.083 2.117 3.344 392 H THR 51 H THR 51 -9.028 6.693 2.074 393 HA THR 51 HA THR 51 -9.234 7.190 -0.800 394 HB THR 51 HB THR 51 -10.092 9.524 -0.219 395 HG1 THR 51 HG1 THR 51 -10.815 8.202 2.212 396 1HG2 THR 51 1HG2 THR 51 -11.525 7.824 -1.264 397 2HG2 THR 51 2HG2 THR 51 -11.941 7.197 0.331 398 3HG2 THR 51 3HG2 THR 51 -12.436 8.825 -0.133 399 H SER 52 H SER 52 -8.392 9.790 -0.836 400 HA SER 52 HA SER 52 -5.629 9.584 -0.270 401 1HB SER 52 1HB SER 52 -7.187 12.111 -0.853 402 2HB SER 52 2HB SER 52 -5.471 11.822 -1.145 403 HG SER 52 HG SER 52 -5.970 10.939 -2.981 404 H GLU 53 H GLU 53 -8.083 10.015 1.863 405 HA GLU 53 HA GLU 53 -6.852 11.938 3.605 406 1HB GLU 53 1HB GLU 53 -9.135 10.012 4.074 407 2HB GLU 53 2HB GLU 53 -8.676 11.333 5.129 408 1HG GLU 53 1HG GLU 53 -9.728 11.570 2.328 409 2HG GLU 53 2HG GLU 53 -10.590 11.958 3.817 410 H GLU 54 H GLU 54 -7.436 8.431 3.658 411 HA GLU 54 HA GLU 54 -5.629 8.146 5.930 412 1HB GLU 54 1HB GLU 54 -7.259 6.017 4.533 413 2HB GLU 54 2HB GLU 54 -6.441 5.869 6.081 414 1HG GLU 54 1HG GLU 54 -7.941 7.678 6.945 415 2HG GLU 54 2HG GLU 54 -8.835 7.561 5.429 416 H CYS 55 H CYS 55 -5.863 7.427 2.524 417 HA CYS 55 HA CYS 55 -3.277 6.039 2.613 418 1HB CYS 55 1HB CYS 55 -5.276 4.929 1.518 419 2HB CYS 55 2HB CYS 55 -5.209 6.192 0.293 420 HG CYS 55 HG CYS 55 -3.067 3.612 0.815 421 H ARG 56 H ARG 56 -1.658 7.449 2.401 422 HA ARG 56 HA ARG 56 -1.848 9.488 0.287 423 1HB ARG 56 1HB ARG 56 -0.788 9.833 3.095 424 2HB ARG 56 2HB ARG 56 -0.473 10.975 1.796 425 1HG ARG 56 1HG ARG 56 -2.838 11.445 1.595 426 2HG ARG 56 2HG ARG 56 -3.202 10.236 2.829 427 1HD ARG 56 1HD ARG 56 -2.047 11.503 4.499 428 2HD ARG 56 2HD ARG 56 -1.443 12.636 3.293 429 HE ARG 56 HE ARG 56 -4.087 12.920 3.012 430 1HH1 ARG 56 1HH1 ARG 56 -2.112 12.778 5.886 431 2HH1 ARG 56 2HH1 ARG 56 -3.083 13.904 6.784 432 1HH2 ARG 56 1HH2 ARG 56 -5.367 14.426 4.154 433 2HH2 ARG 56 2HH2 ARG 56 -4.921 14.882 5.781 434 H PHE 57 H PHE 57 0.292 10.297 -0.414 435 HA PHE 57 HA PHE 57 2.222 8.134 -0.553 436 1HB PHE 57 1HB PHE 57 1.689 9.498 -2.568 437 2HB PHE 57 2HB PHE 57 2.346 10.914 -1.755 438 HD1 PHE 57 HD1 PHE 57 3.198 7.589 -3.115 439 HD2 PHE 57 HD2 PHE 57 4.669 11.336 -1.727 440 HE1 PHE 57 HE1 PHE 57 5.434 7.028 -3.971 441 HE2 PHE 57 HE2 PHE 57 6.908 10.778 -2.581 442 HZ PHE 57 HZ PHE 57 7.290 8.621 -3.707 443 H CYS 58 H CYS 58 3.297 7.906 1.312 444 HA CYS 58 HA CYS 58 3.932 10.233 2.909 445 1HB CYS 58 1HB CYS 58 4.367 7.291 3.441 446 2HB CYS 58 2HB CYS 58 4.651 8.587 4.602 447 HG CYS 58 HG CYS 58 2.267 7.368 5.323 448 H HIS 59 H HIS 59 5.744 7.676 1.195 449 HA HIS 59 HA HIS 59 8.014 9.449 1.094 450 1HB HIS 59 1HB HIS 59 9.623 7.870 2.093 451 2HB HIS 59 2HB HIS 59 8.463 8.480 3.249 452 HD1 HIS 59 HD1 HIS 59 10.192 5.536 2.681 453 HD2 HIS 59 HD2 HIS 59 6.142 6.316 3.230 454 HE1 HIS 59 HE1 HIS 59 9.180 3.382 3.482 455 HE2 HIS 59 HE2 HIS 59 6.757 3.896 3.930 456 H SER 60 H SER 60 9.795 8.628 -0.080 457 HA SER 60 HA SER 60 9.088 6.563 -2.057 458 1HB SER 60 1HB SER 60 11.274 8.653 -2.280 459 2HB SER 60 2HB SER 60 10.652 7.617 -3.562 460 HG SER 60 HG SER 60 8.550 8.775 -2.940 461 H GLU 61 H GLU 61 10.161 4.657 -1.780 462 HA GLU 61 HA GLU 61 12.419 4.765 0.105 463 1HB GLU 61 1HB GLU 61 10.137 3.844 0.899 464 2HB GLU 61 2HB GLU 61 10.517 2.445 -0.103 465 1HG GLU 61 1HG GLU 61 11.116 2.090 2.234 466 2HG GLU 61 2HG GLU 61 12.528 2.034 1.179 467 H LYS 62 H LYS 62 14.139 3.364 -0.219 468 HA LYS 62 HA LYS 62 14.518 2.447 -2.915 469 1HB LYS 62 1HB LYS 62 16.376 3.402 -1.590 470 2HB LYS 62 2HB LYS 62 16.262 2.047 -0.476 471 1HG LYS 62 1HG LYS 62 18.083 1.649 -1.959 472 2HG LYS 62 2HG LYS 62 16.787 0.526 -2.371 473 1HD LYS 62 1HD LYS 62 17.760 1.440 -4.392 474 2HD LYS 62 2HD LYS 62 16.108 2.028 -4.208 475 1HE LYS 62 1HE LYS 62 16.907 4.147 -3.382 476 2HE LYS 62 2HE LYS 62 18.569 3.562 -3.390 477 1HZ LYS 62 1HZ LYS 62 16.851 3.930 -5.785 478 2HZ LYS 62 2HZ LYS 62 18.127 4.942 -5.309 479 3HZ LYS 62 3HZ LYS 62 18.444 3.351 -5.794 480 H ALA 63 H ALA 63 13.426 0.720 -3.517 481 HA ALA 63 HA ALA 63 12.482 -1.234 -1.683 482 1HB ALA 63 1HB ALA 63 11.222 -0.553 -3.658 483 2HB ALA 63 2HB ALA 63 12.466 -1.257 -4.692 484 3HB ALA 63 3HB ALA 63 11.508 -2.294 -3.634 485 HA PRO 64 HA PRO 64 16.028 -3.993 -1.990 486 1HB PRO 64 1HB PRO 64 14.986 -5.899 -0.354 487 2HB PRO 64 2HB PRO 64 15.761 -4.431 0.252 488 1HG PRO 64 1HG PRO 64 12.852 -5.048 -0.062 489 2HG PRO 64 2HG PRO 64 13.686 -4.229 1.270 490 1HD PRO 64 1HD PRO 64 12.317 -2.892 -0.653 491 2HD PRO 64 2HD PRO 64 13.740 -2.213 0.162 492 H ASP 65 H ASP 65 16.314 -6.169 -2.790 493 HA ASP 65 HA ASP 65 14.916 -6.627 -5.148 494 1HB ASP 65 1HB ASP 65 17.195 -7.449 -4.672 495 2HB ASP 65 2HB ASP 65 16.525 -8.628 -3.549 496 H GLU 66 H GLU 66 14.383 -7.924 -1.944 497 HA GLU 66 HA GLU 66 12.717 -10.071 -2.478 498 1HB GLU 66 1HB GLU 66 13.574 -9.597 -0.260 499 2HB GLU 66 2HB GLU 66 12.636 -8.112 -0.182 500 1HG GLU 66 1HG GLU 66 10.569 -9.419 -0.239 501 2HG GLU 66 2HG GLU 66 11.515 -10.905 -0.304 502 H VAL 67 H VAL 67 11.744 -6.685 -1.873 503 HA VAL 67 HA VAL 67 8.982 -7.311 -2.305 504 HB VAL 67 HB VAL 67 8.520 -4.950 -2.052 505 1HG1 VAL 67 1HG1 VAL 67 10.594 -5.896 -0.083 506 2HG1 VAL 67 2HG1 VAL 67 9.425 -4.605 0.191 507 3HG1 VAL 67 3HG1 VAL 67 8.869 -6.263 -0.038 508 1HG2 VAL 67 1HG2 VAL 67 11.507 -4.553 -2.071 509 2HG2 VAL 67 2HG2 VAL 67 10.374 -4.019 -3.313 510 3HG2 VAL 67 3HG2 VAL 67 10.309 -3.315 -1.697 511 H ILE 68 H ILE 68 11.616 -6.259 -4.302 512 HA ILE 68 HA ILE 68 10.240 -5.173 -6.478 513 HB ILE 68 HB ILE 68 12.726 -6.901 -6.548 514 1HG1 ILE 68 1HG1 ILE 68 13.021 -4.948 -5.112 515 2HG1 ILE 68 2HG1 ILE 68 13.944 -4.753 -6.598 516 1HG2 ILE 68 1HG2 ILE 68 11.651 -4.966 -8.596 517 2HG2 ILE 68 2HG2 ILE 68 13.194 -5.813 -8.690 518 3HG2 ILE 68 3HG2 ILE 68 11.683 -6.723 -8.741 519 1HD1 ILE 68 1HD1 ILE 68 12.202 -3.287 -7.480 520 2HD1 ILE 68 2HD1 ILE 68 11.287 -3.480 -5.984 521 3HD1 ILE 68 3HD1 ILE 68 12.860 -2.682 -5.961 522 H GLU 69 H GLU 69 11.107 -8.523 -5.752 523 HA GLU 69 HA GLU 69 9.950 -9.751 -7.980 524 1HB GLU 69 1HB GLU 69 11.466 -10.900 -6.433 525 2HB GLU 69 2HB GLU 69 10.259 -10.800 -5.160 526 1HG GLU 69 1HG GLU 69 8.753 -12.193 -6.558 527 2HG GLU 69 2HG GLU 69 10.076 -12.380 -7.709 528 H ALA 70 H ALA 70 8.596 -9.062 -4.779 529 HA ALA 70 HA ALA 70 6.121 -10.328 -5.168 530 1HB ALA 70 1HB ALA 70 6.796 -8.046 -3.318 531 2HB ALA 70 2HB ALA 70 5.382 -9.094 -3.200 532 3HB ALA 70 3HB ALA 70 6.998 -9.761 -2.965 533 H ILE 71 H ILE 71 7.064 -6.923 -5.581 534 HA ILE 71 HA ILE 71 4.456 -6.025 -6.274 535 HB ILE 71 HB ILE 71 7.133 -4.758 -6.879 536 1HG1 ILE 71 1HG1 ILE 71 5.176 -4.190 -4.642 537 2HG1 ILE 71 2HG1 ILE 71 6.638 -5.157 -4.462 538 1HG2 ILE 71 1HG2 ILE 71 5.871 -2.673 -7.131 539 2HG2 ILE 71 2HG2 ILE 71 5.370 -3.878 -8.318 540 3HG2 ILE 71 3HG2 ILE 71 4.363 -3.560 -6.906 541 1HD1 ILE 71 1HD1 ILE 71 6.984 -2.908 -3.649 542 2HD1 ILE 71 2HD1 ILE 71 7.984 -3.209 -5.070 543 3HD1 ILE 71 3HD1 ILE 71 6.513 -2.249 -5.216 544 H LYS 72 H LYS 72 7.246 -7.078 -8.174 545 HA LYS 72 HA LYS 72 6.186 -6.452 -10.710 546 1HB LYS 72 1HB LYS 72 8.540 -6.901 -10.412 547 2HB LYS 72 2HB LYS 72 8.202 -8.527 -9.838 548 1HG LYS 72 1HG LYS 72 7.364 -9.132 -12.054 549 2HG LYS 72 2HG LYS 72 7.712 -7.499 -12.626 550 1HD LYS 72 1HD LYS 72 9.470 -9.146 -13.220 551 2HD LYS 72 2HD LYS 72 10.066 -7.808 -12.235 552 1HE LYS 72 1HE LYS 72 9.948 -9.211 -10.243 553 2HE LYS 72 2HE LYS 72 9.319 -10.546 -11.207 554 1HZ LYS 72 1HZ LYS 72 11.368 -10.684 -12.389 555 2HZ LYS 72 2HZ LYS 72 11.965 -9.277 -11.650 556 3HZ LYS 72 3HZ LYS 72 11.728 -10.682 -10.732 557 H GLN 73 H GLN 73 5.709 -9.134 -8.550 558 HA GLN 73 HA GLN 73 4.462 -10.825 -10.524 559 1HB GLN 73 1HB GLN 73 5.741 -11.825 -8.725 560 2HB GLN 73 2HB GLN 73 4.713 -11.057 -7.525 561 1HG GLN 73 1HG GLN 73 2.806 -12.381 -8.367 562 2HG GLN 73 2HG GLN 73 3.909 -13.204 -9.471 563 1HE2 GLN 73 2HE2 GLN 73 5.426 -14.632 -8.642 564 2HE2 GLN 73 1HE2 GLN 73 5.314 -15.282 -7.043 565 H ASN 74 H ASN 74 3.355 -8.959 -7.699 566 HA ASN 74 HA ASN 74 0.604 -9.771 -8.272 567 1HB ASN 74 1HB ASN 74 1.805 -8.344 -5.894 568 2HB ASN 74 2HB ASN 74 0.100 -8.751 -6.053 569 1HD2 ASN 74 2HD2 ASN 74 3.305 -9.973 -5.537 570 2HD2 ASN 74 1HD2 ASN 74 2.839 -11.561 -5.030 571 H GLY 75 H GLY 75 2.660 -6.991 -8.457 572 1HA GLY 75 1HA GLY 75 2.029 -5.052 -9.722 573 2HA GLY 75 2HA GLY 75 0.352 -5.351 -9.273 574 H TYR 76 H TYR 76 1.277 -5.967 -6.493 575 HA TYR 76 HA TYR 76 2.288 -3.471 -5.468 576 1HB TYR 76 1HB TYR 76 0.350 -2.919 -4.119 577 2HB TYR 76 2HB TYR 76 -0.137 -2.995 -5.807 578 HD1 TYR 76 HD1 TYR 76 -0.794 -4.156 -2.502 579 HD2 TYR 76 HD2 TYR 76 -1.268 -5.177 -6.605 580 HE1 TYR 76 HE1 TYR 76 -2.586 -5.728 -1.897 581 HE2 TYR 76 HE2 TYR 76 -3.062 -6.752 -6.010 582 HH TYR 76 HH TYR 76 -3.806 -8.041 -4.054 583 H PHE 77 H PHE 77 2.768 -3.603 -3.193 584 HA PHE 77 HA PHE 77 2.493 -6.285 -2.026 585 1HB PHE 77 1HB PHE 77 4.792 -6.055 -2.884 586 2HB PHE 77 2HB PHE 77 4.998 -4.584 -1.939 587 HD1 PHE 77 HD1 PHE 77 4.113 -8.177 -1.510 588 HD2 PHE 77 HD2 PHE 77 5.973 -4.723 0.138 589 HE1 PHE 77 HE1 PHE 77 4.916 -9.519 0.389 590 HE2 PHE 77 HE2 PHE 77 6.777 -6.059 2.039 591 HZ PHE 77 HZ PHE 77 6.249 -8.461 2.166 592 H ILE 78 H ILE 78 1.400 -6.140 -0.196 593 HA ILE 78 HA ILE 78 1.274 -3.609 1.234 594 HB ILE 78 HB ILE 78 -0.168 -6.207 1.800 595 1HG1 ILE 78 1HG1 ILE 78 -0.849 -5.243 -0.344 596 2HG1 ILE 78 2HG1 ILE 78 -2.141 -5.088 0.842 597 1HG2 ILE 78 1HG2 ILE 78 -1.608 -4.836 3.243 598 2HG2 ILE 78 2HG2 ILE 78 0.068 -4.849 3.793 599 3HG2 ILE 78 3HG2 ILE 78 -0.568 -3.444 2.937 600 1HD1 ILE 78 1HD1 ILE 78 -0.239 -2.907 0.016 601 2HD1 ILE 78 2HD1 ILE 78 -1.913 -3.083 -0.511 602 3HD1 ILE 78 3HD1 ILE 78 -1.553 -2.751 1.182 603 H TYR 79 H TYR 79 2.937 -3.240 2.554 604 HA TYR 79 HA TYR 79 4.003 -5.490 4.112 605 1HB TYR 79 1HB TYR 79 5.658 -4.277 2.784 606 2HB TYR 79 2HB TYR 79 5.184 -2.764 3.547 607 HD1 TYR 79 HD1 TYR 79 6.556 -1.982 5.224 608 HD2 TYR 79 HD2 TYR 79 6.307 -6.180 4.575 609 HE1 TYR 79 HE1 TYR 79 8.223 -2.353 6.993 610 HE2 TYR 79 HE2 TYR 79 7.974 -6.557 6.339 611 HH TYR 79 HH TYR 79 9.049 -3.990 8.423 612 H LYS 80 H LYS 80 3.144 -5.684 6.072 613 HA LYS 80 HA LYS 80 1.967 -3.416 7.383 614 1HB LYS 80 1HB LYS 80 2.059 -5.340 9.333 615 2HB LYS 80 2HB LYS 80 0.717 -5.048 8.244 616 1HG LYS 80 1HG LYS 80 2.917 -6.964 7.560 617 2HG LYS 80 2HG LYS 80 1.523 -7.441 8.530 618 1HD LYS 80 1HD LYS 80 0.108 -6.471 6.625 619 2HD LYS 80 2HD LYS 80 1.595 -6.508 5.677 620 1HE LYS 80 1HE LYS 80 0.187 -8.826 6.966 621 2HE LYS 80 2HE LYS 80 0.358 -8.502 5.244 622 1HZ LYS 80 1HZ LYS 80 2.465 -9.325 7.163 623 2HZ LYS 80 2HZ LYS 80 1.938 -10.150 5.778 624 3HZ LYS 80 3HZ LYS 80 2.827 -8.709 5.620 625 H MET 81 H MET 81 3.272 -1.934 8.217 626 HA MET 81 HA MET 81 5.929 -2.315 8.981 627 1HB MET 81 1HB MET 81 4.906 -0.104 8.496 628 2HB MET 81 2HB MET 81 4.013 -0.213 10.007 629 1HG MET 81 1HG MET 81 6.128 -0.259 11.243 630 2HG MET 81 2HG MET 81 7.007 -0.110 9.721 631 1HE MET 81 1HE MET 81 4.944 1.879 8.183 632 2HE MET 81 2HE MET 81 6.701 2.022 8.077 633 3HE MET 81 3HE MET 81 5.725 3.429 8.498 634 H GLU 82 H GLU 82 2.978 -2.182 10.918 635 HA GLU 82 HA GLU 82 3.947 -4.157 12.724 636 1HB GLU 82 1HB GLU 82 4.877 -1.742 13.430 637 2HB GLU 82 2HB GLU 82 3.282 -1.634 14.165 638 1HG GLU 82 1HG GLU 82 3.708 -3.674 15.420 639 2HG GLU 82 2HG GLU 82 5.295 -3.813 14.667 640 H GLY 83 H GLY 83 2.178 -3.859 14.799 641 1HA GLY 83 1HA GLY 83 -0.101 -3.786 15.345 642 2HA GLY 83 2HA GLY 83 -0.458 -3.320 13.686 643 H CYS 84 H CYS 84 0.576 -5.246 12.186 644 HA CYS 84 HA CYS 84 -0.319 -7.820 13.268 645 1HB CYS 84 1HB CYS 84 -1.037 -6.701 10.547 646 2HB CYS 84 2HB CYS 84 -1.332 -8.359 11.057 647 HG CYS 84 HG CYS 84 -2.616 -6.278 13.263 648 H ASN 85 H ASN 85 0.468 -9.635 11.717 649 HA ASN 85 HA ASN 85 3.250 -8.971 11.019 650 1HB ASN 85 1HB ASN 85 2.084 -11.518 12.151 651 2HB ASN 85 2HB ASN 85 3.727 -11.390 11.532 652 1HD2 ASN 85 2HD2 ASN 85 2.740 -12.014 14.205 653 2HD2 ASN 85 1HD2 ASN 85 3.474 -10.857 15.259 Start of MODEL 15 1 H MET 1 H MET 1 14.326 -0.708 -10.032 2 HA MET 1 HA MET 1 12.422 0.823 -10.281 3 1HB MET 1 1HB MET 1 12.215 -1.683 -9.972 4 2HB MET 1 2HB MET 1 11.913 -1.374 -8.266 5 1HG MET 1 1HG MET 1 9.967 0.015 -8.917 6 2HG MET 1 2HG MET 1 10.238 -0.458 -10.592 7 1HE MET 1 1HE MET 1 8.794 -3.212 -7.195 8 2HE MET 1 2HE MET 1 8.918 -1.455 -7.102 9 3HE MET 1 3HE MET 1 10.380 -2.440 -7.158 10 H GLN 2 H GLN 2 11.364 2.513 -9.434 11 HA GLN 2 HA GLN 2 11.918 3.249 -6.676 12 1HB GLN 2 1HB GLN 2 10.479 4.664 -8.918 13 2HB GLN 2 2HB GLN 2 10.601 5.318 -7.291 14 1HG GLN 2 1HG GLN 2 13.039 5.315 -7.479 15 2HG GLN 2 2HG GLN 2 12.905 4.683 -9.120 16 1HE2 GLN 2 2HE2 GLN 2 12.401 7.437 -7.051 17 2HE2 GLN 2 1HE2 GLN 2 12.218 8.601 -8.323 18 H ILE 3 H ILE 3 10.682 2.561 -5.092 19 HA ILE 3 HA ILE 3 7.964 1.682 -5.640 20 HB ILE 3 HB ILE 3 8.048 1.201 -3.081 21 1HG1 ILE 3 1HG1 ILE 3 10.989 1.398 -3.769 22 2HG1 ILE 3 2HG1 ILE 3 10.119 2.392 -2.605 23 1HG2 ILE 3 1HG2 ILE 3 9.161 -0.989 -3.591 24 2HG2 ILE 3 2HG2 ILE 3 7.831 -0.536 -4.659 25 3HG2 ILE 3 3HG2 ILE 3 9.497 -0.348 -5.199 26 1HD1 ILE 3 1HD1 ILE 3 10.645 -0.562 -2.406 27 2HD1 ILE 3 2HD1 ILE 3 11.419 0.718 -1.470 28 3HD1 ILE 3 3HD1 ILE 3 9.700 0.385 -1.251 29 H HIS 4 H HIS 4 6.197 2.691 -5.094 30 HA HIS 4 HA HIS 4 6.394 5.360 -3.940 31 1HB HIS 4 1HB HIS 4 3.953 3.904 -5.000 32 2HB HIS 4 2HB HIS 4 4.073 5.622 -4.636 33 HD1 HIS 4 HD1 HIS 4 4.825 7.121 -6.516 34 HD2 HIS 4 HD2 HIS 4 5.520 3.102 -7.302 35 HE1 HIS 4 HE1 HIS 4 5.609 7.026 -8.904 36 HE2 HIS 4 HE2 HIS 4 6.148 4.593 -9.314 37 H VAL 5 H VAL 5 6.447 5.402 -1.782 38 HA VAL 5 HA VAL 5 5.269 3.215 -0.275 39 HB VAL 5 HB VAL 5 6.877 5.568 0.735 40 1HG1 VAL 5 1HG1 VAL 5 6.167 2.946 2.048 41 2HG1 VAL 5 2HG1 VAL 5 7.219 4.188 2.728 42 3HG1 VAL 5 3HG1 VAL 5 5.510 4.530 2.462 43 1HG2 VAL 5 1HG2 VAL 5 8.185 4.238 -0.828 44 2HG2 VAL 5 2HG2 VAL 5 8.768 4.005 0.820 45 3HG2 VAL 5 3HG2 VAL 5 7.770 2.768 0.052 46 H TYR 6 H TYR 6 3.140 3.420 -0.006 47 HA TYR 6 HA TYR 6 2.045 6.014 0.814 48 1HB TYR 6 1HB TYR 6 0.655 3.463 -0.033 49 2HB TYR 6 2HB TYR 6 -0.172 4.938 0.457 50 HD1 TYR 6 HD1 TYR 6 1.625 3.246 -2.212 51 HD2 TYR 6 HD2 TYR 6 -0.081 6.945 -0.980 52 HE1 TYR 6 HE1 TYR 6 1.684 4.042 -4.536 53 HE2 TYR 6 HE2 TYR 6 -0.024 7.749 -3.304 54 HH TYR 6 HH TYR 6 0.379 5.768 -5.921 55 H ASP 7 H ASP 7 2.302 6.292 2.936 56 HA ASP 7 HA ASP 7 2.171 4.122 4.823 57 1HB ASP 7 1HB ASP 7 3.555 6.291 5.010 58 2HB ASP 7 2HB ASP 7 2.049 7.067 5.478 59 H THR 8 H THR 8 0.171 3.194 4.963 60 HA THR 8 HA THR 8 -2.143 4.917 4.543 61 HB THR 8 HB THR 8 -2.103 1.903 4.682 62 HG1 THR 8 HG1 THR 8 -0.678 2.844 3.035 63 1HG2 THR 8 1HG2 THR 8 -4.147 2.103 3.339 64 2HG2 THR 8 2HG2 THR 8 -4.317 2.946 4.879 65 3HG2 THR 8 3HG2 THR 8 -4.019 3.861 3.400 66 H TYR 9 H TYR 9 -3.377 5.587 6.125 67 HA TYR 9 HA TYR 9 -3.308 4.189 8.710 68 1HB TYR 9 1HB TYR 9 -4.128 6.989 7.941 69 2HB TYR 9 2HB TYR 9 -4.493 6.299 9.515 70 HD1 TYR 9 HD1 TYR 9 -2.793 6.027 11.174 71 HD2 TYR 9 HD2 TYR 9 -1.799 7.488 7.306 72 HE1 TYR 9 HE1 TYR 9 -0.602 6.746 12.018 73 HE2 TYR 9 HE2 TYR 9 0.400 8.207 8.141 74 HH TYR 9 HH TYR 9 1.427 8.830 10.311 75 H VAL 10 H VAL 10 -4.803 2.588 8.588 76 HA VAL 10 HA VAL 10 -7.548 3.423 7.898 77 HB VAL 10 HB VAL 10 -6.356 0.640 7.772 78 1HG1 VAL 10 1HG1 VAL 10 -9.134 1.600 7.086 79 2HG1 VAL 10 2HG1 VAL 10 -8.508 -0.023 6.799 80 3HG1 VAL 10 3HG1 VAL 10 -8.693 0.571 8.449 81 1HG2 VAL 10 1HG2 VAL 10 -6.719 0.832 5.356 82 2HG2 VAL 10 2HG2 VAL 10 -7.271 2.494 5.574 83 3HG2 VAL 10 3HG2 VAL 10 -5.601 2.063 5.946 84 H LYS 11 H LYS 11 -8.618 3.837 9.727 85 HA LYS 11 HA LYS 11 -7.894 2.407 12.152 86 1HB LYS 11 1HB LYS 11 -8.203 4.836 12.293 87 2HB LYS 11 2HB LYS 11 -9.864 4.665 11.734 88 1HG LYS 11 1HG LYS 11 -10.354 3.297 13.733 89 2HG LYS 11 2HG LYS 11 -8.714 3.598 14.304 90 1HD LYS 11 1HD LYS 11 -9.202 6.028 14.280 91 2HD LYS 11 2HD LYS 11 -10.869 5.653 13.831 92 1HE LYS 11 1HE LYS 11 -9.458 4.762 16.347 93 2HE LYS 11 2HE LYS 11 -10.670 6.039 16.235 94 1HZ LYS 11 1HZ LYS 11 -11.331 3.324 15.311 95 2HZ LYS 11 2HZ LYS 11 -11.362 3.675 16.967 96 3HZ LYS 11 3HZ LYS 11 -12.357 4.537 15.900 97 H ALA 12 H ALA 12 -8.941 0.674 12.838 98 HA ALA 12 HA ALA 12 -11.391 -0.210 11.670 99 1HB ALA 12 1HB ALA 12 -10.008 -1.117 14.199 100 2HB ALA 12 2HB ALA 12 -11.334 -1.953 13.392 101 3HB ALA 12 3HB ALA 12 -9.772 -1.798 12.588 102 H LYS 13 H LYS 13 -13.464 -0.103 12.514 103 HA LYS 13 HA LYS 13 -14.085 2.307 13.814 104 1HB LYS 13 1HB LYS 13 -15.638 1.177 12.294 105 2HB LYS 13 2HB LYS 13 -15.812 -0.146 13.442 106 1HG LYS 13 1HG LYS 13 -16.827 1.360 15.054 107 2HG LYS 13 2HG LYS 13 -16.608 2.714 13.946 108 1HD LYS 13 1HD LYS 13 -18.294 0.267 13.423 109 2HD LYS 13 2HD LYS 13 -18.904 1.854 13.898 110 1HE LYS 13 1HE LYS 13 -17.849 2.790 11.839 111 2HE LYS 13 2HE LYS 13 -17.457 1.141 11.354 112 1HZ LYS 13 1HZ LYS 13 -20.174 2.245 11.803 113 2HZ LYS 13 2HZ LYS 13 -19.485 1.847 10.304 114 3HZ LYS 13 3HZ LYS 13 -19.838 0.626 11.428 115 H ASP 14 H ASP 14 -13.966 -1.018 15.033 116 HA ASP 14 HA ASP 14 -14.183 0.091 17.755 117 1HB ASP 14 1HB ASP 14 -15.389 -2.462 16.674 118 2HB ASP 14 2HB ASP 14 -15.306 -2.068 18.388 119 H GLY 15 H GLY 15 -11.748 -0.372 16.334 120 1HA GLY 15 1HA GLY 15 -10.589 -2.284 18.216 121 2HA GLY 15 2HA GLY 15 -10.287 -2.532 16.502 122 H HIS 16 H HIS 16 -8.487 -1.723 15.778 123 HA HIS 16 HA HIS 16 -7.230 0.500 17.244 124 1HB HIS 16 1HB HIS 16 -5.016 -0.547 16.647 125 2HB HIS 16 2HB HIS 16 -5.974 -1.464 17.800 126 HD1 HIS 16 HD1 HIS 16 -4.873 -3.707 17.249 127 HD2 HIS 16 HD2 HIS 16 -6.570 -1.850 13.936 128 HE1 HIS 16 HE1 HIS 16 -4.932 -5.452 15.443 129 HE2 HIS 16 HE2 HIS 16 -6.163 -4.375 13.529 130 H VAL 17 H VAL 17 -5.421 1.533 15.889 131 HA VAL 17 HA VAL 17 -6.492 2.046 13.216 132 HB VAL 17 HB VAL 17 -4.151 3.437 14.520 133 1HG1 VAL 17 1HG1 VAL 17 -4.695 5.231 12.944 134 2HG1 VAL 17 2HG1 VAL 17 -4.338 3.718 12.111 135 3HG1 VAL 17 3HG1 VAL 17 -6.009 4.254 12.289 136 1HG2 VAL 17 1HG2 VAL 17 -5.693 5.202 15.212 137 2HG2 VAL 17 2HG2 VAL 17 -7.054 4.250 14.623 138 3HG2 VAL 17 3HG2 VAL 17 -6.096 3.668 15.983 139 H MET 18 H MET 18 -5.736 0.872 11.599 140 HA MET 18 HA MET 18 -3.363 -0.729 11.938 141 1HB MET 18 1HB MET 18 -5.208 -0.428 9.557 142 2HB MET 18 2HB MET 18 -3.951 -1.646 9.729 143 1HG MET 18 1HG MET 18 -5.109 -2.621 11.617 144 2HG MET 18 2HG MET 18 -6.340 -1.362 11.536 145 1HE MET 18 1HE MET 18 -5.727 -4.591 8.299 146 2HE MET 18 2HE MET 18 -4.773 -4.482 9.779 147 3HE MET 18 3HE MET 18 -4.610 -3.245 8.533 148 H HIS 19 H HIS 19 -1.443 0.092 11.625 149 HA HIS 19 HA HIS 19 -1.066 2.202 9.613 150 1HB HIS 19 1HB HIS 19 0.720 1.306 11.889 151 2HB HIS 19 2HB HIS 19 1.147 2.543 10.718 152 HD1 HIS 19 HD1 HIS 19 1.435 3.994 12.957 153 HD2 HIS 19 HD2 HIS 19 -2.459 2.962 11.925 154 HE1 HIS 19 HE1 HIS 19 -0.049 5.538 14.274 155 HE2 HIS 19 HE2 HIS 19 -2.390 4.999 13.527 156 H PHE 20 H PHE 20 -0.711 1.192 7.701 157 HA PHE 20 HA PHE 20 1.557 -0.648 7.629 158 1HB PHE 20 1HB PHE 20 0.375 -2.118 6.024 159 2HB PHE 20 2HB PHE 20 -0.367 -2.114 7.616 160 HD1 PHE 20 HD1 PHE 20 -0.812 -1.423 4.102 161 HD2 PHE 20 HD2 PHE 20 -2.512 -0.908 7.969 162 HE1 PHE 20 HE1 PHE 20 -2.988 -0.918 3.072 163 HE2 PHE 20 HE2 PHE 20 -4.692 -0.403 6.946 164 HZ PHE 20 HZ PHE 20 -4.930 -0.407 4.494 165 H ASP 21 H ASP 21 2.933 -0.286 6.017 166 HA ASP 21 HA ASP 21 2.230 1.888 4.191 167 1HB ASP 21 1HB ASP 21 4.690 1.917 3.683 168 2HB ASP 21 2HB ASP 21 4.277 2.286 5.351 169 H VAL 22 H VAL 22 1.938 1.647 2.118 170 HA VAL 22 HA VAL 22 2.004 -1.079 1.046 171 HB VAL 22 HB VAL 22 0.616 1.362 -0.080 172 1HG1 VAL 22 1HG1 VAL 22 0.323 -1.564 -0.745 173 2HG1 VAL 22 2HG1 VAL 22 -0.656 -0.256 -1.411 174 3HG1 VAL 22 3HG1 VAL 22 1.071 -0.331 -1.760 175 1HG2 VAL 22 1HG2 VAL 22 -1.456 0.387 0.809 176 2HG2 VAL 22 2HG2 VAL 22 -0.511 -0.874 1.602 177 3HG2 VAL 22 3HG2 VAL 22 -0.320 0.811 2.091 178 H PHE 23 H PHE 23 3.745 -1.576 -0.106 179 HA PHE 23 HA PHE 23 5.212 0.476 -1.556 180 1HB PHE 23 1HB PHE 23 5.688 -2.497 -1.279 181 2HB PHE 23 2HB PHE 23 6.740 -1.400 -2.159 182 HD1 PHE 23 HD1 PHE 23 6.070 -2.929 0.952 183 HD2 PHE 23 HD2 PHE 23 7.730 0.570 -0.811 184 HE1 PHE 23 HE1 PHE 23 7.342 -2.498 3.012 185 HE2 PHE 23 HE2 PHE 23 9.005 1.007 1.247 186 HZ PHE 23 HZ PHE 23 8.814 -0.529 3.162 187 H THR 24 H THR 24 4.531 1.056 -3.514 188 HA THR 24 HA THR 24 3.505 -1.057 -5.301 189 HB THR 24 HB THR 24 2.120 0.747 -6.383 190 HG1 THR 24 HG1 THR 24 2.548 2.167 -3.954 191 1HG2 THR 24 1HG2 THR 24 0.346 0.693 -4.682 192 2HG2 THR 24 2HG2 THR 24 1.098 -0.887 -4.893 193 3HG2 THR 24 3HG2 THR 24 1.511 0.107 -3.497 194 H ASP 25 H ASP 25 4.115 -0.947 -7.462 195 HA ASP 25 HA ASP 25 6.405 0.763 -8.054 196 1HB ASP 25 1HB ASP 25 6.799 -1.474 -8.706 197 2HB ASP 25 2HB ASP 25 5.198 -1.634 -9.421 198 H VAL 26 H VAL 26 3.167 0.070 -9.230 199 HA VAL 26 HA VAL 26 3.156 1.672 -11.507 200 HB VAL 26 HB VAL 26 0.816 1.082 -9.685 201 1HG1 VAL 26 1HG1 VAL 26 0.903 1.835 -12.604 202 2HG1 VAL 26 2HG1 VAL 26 -0.543 1.387 -11.699 203 3HG1 VAL 26 3HG1 VAL 26 0.339 2.856 -11.281 204 1HG2 VAL 26 1HG2 VAL 26 0.397 -0.834 -11.146 205 2HG2 VAL 26 2HG2 VAL 26 1.866 -0.469 -12.051 206 3HG2 VAL 26 3HG2 VAL 26 1.970 -0.960 -10.360 207 H ARG 27 H ARG 27 3.238 3.793 -11.784 208 HA ARG 27 HA ARG 27 3.081 5.626 -9.595 209 1HB ARG 27 1HB ARG 27 4.561 6.118 -11.448 210 2HB ARG 27 2HB ARG 27 3.219 6.071 -12.581 211 1HG ARG 27 1HG ARG 27 2.231 8.023 -11.393 212 2HG ARG 27 2HG ARG 27 3.706 8.112 -10.427 213 1HD ARG 27 1HD ARG 27 5.029 8.549 -12.366 214 2HD ARG 27 2HD ARG 27 3.666 8.222 -13.436 215 HE ARG 27 HE ARG 27 2.667 10.239 -12.085 216 1HH1 ARG 27 1HH1 ARG 27 5.949 9.863 -13.278 217 2HH1 ARG 27 2HH1 ARG 27 6.179 11.572 -13.537 218 1HH2 ARG 27 1HH2 ARG 27 2.967 12.459 -12.428 219 2HH2 ARG 27 2HH2 ARG 27 4.481 13.054 -13.040 220 H ASP 28 H ASP 28 1.032 5.325 -8.729 221 HA ASP 28 HA ASP 28 -1.028 6.944 -9.849 222 1HB ASP 28 1HB ASP 28 -1.200 4.786 -11.177 223 2HB ASP 28 2HB ASP 28 -1.637 3.988 -9.669 224 H ASP 29 H ASP 29 -2.382 7.627 -8.238 225 HA ASP 29 HA ASP 29 -1.846 6.599 -5.566 226 1HB ASP 29 1HB ASP 29 -3.023 8.556 -4.741 227 2HB ASP 29 2HB ASP 29 -1.847 9.047 -5.955 228 H LYS 30 H LYS 30 -4.424 6.690 -7.921 229 HA LYS 30 HA LYS 30 -6.556 5.989 -6.206 230 1HB LYS 30 1HB LYS 30 -6.993 6.889 -8.423 231 2HB LYS 30 2HB LYS 30 -6.190 5.518 -9.174 232 1HG LYS 30 1HG LYS 30 -7.934 4.031 -8.248 233 2HG LYS 30 2HG LYS 30 -8.757 5.448 -7.595 234 1HD LYS 30 1HD LYS 30 -9.790 4.792 -9.682 235 2HD LYS 30 2HD LYS 30 -8.972 6.341 -9.886 236 1HE LYS 30 1HE LYS 30 -8.522 4.970 -11.806 237 2HE LYS 30 2HE LYS 30 -7.040 5.139 -10.869 238 1HZ LYS 30 1HZ LYS 30 -7.500 2.937 -9.894 239 2HZ LYS 30 2HZ LYS 30 -8.847 2.777 -10.909 240 3HZ LYS 30 3HZ LYS 30 -7.289 2.875 -11.570 241 H LYS 31 H LYS 31 -4.330 4.086 -8.181 242 HA LYS 31 HA LYS 31 -5.543 1.587 -7.655 243 1HB LYS 31 1HB LYS 31 -3.915 2.208 -9.525 244 2HB LYS 31 2HB LYS 31 -2.639 1.963 -8.337 245 1HG LYS 31 1HG LYS 31 -3.047 -0.307 -8.172 246 2HG LYS 31 2HG LYS 31 -4.683 -0.162 -8.815 247 1HD LYS 31 1HD LYS 31 -2.134 0.238 -10.380 248 2HD LYS 31 2HD LYS 31 -3.161 -1.197 -10.432 249 1HE LYS 31 1HE LYS 31 -3.883 1.597 -11.304 250 2HE LYS 31 2HE LYS 31 -3.660 0.184 -12.334 251 1HZ LYS 31 1HZ LYS 31 -5.803 0.514 -10.291 252 2HZ LYS 31 2HZ LYS 31 -6.000 0.663 -11.969 253 3HZ LYS 31 3HZ LYS 31 -5.589 -0.839 -11.296 254 H ALA 32 H ALA 32 -3.209 3.495 -5.902 255 HA ALA 32 HA ALA 32 -2.332 1.521 -4.091 256 1HB ALA 32 1HB ALA 32 -2.703 4.481 -3.620 257 2HB ALA 32 2HB ALA 32 -1.758 3.385 -2.613 258 3HB ALA 32 3HB ALA 32 -1.257 3.712 -4.271 259 H ILE 33 H ILE 33 -5.065 3.763 -4.039 260 HA ILE 33 HA ILE 33 -6.229 2.950 -1.614 261 HB ILE 33 HB ILE 33 -7.632 3.936 -4.107 262 1HG1 ILE 33 1HG1 ILE 33 -6.603 5.494 -1.728 263 2HG1 ILE 33 2HG1 ILE 33 -5.856 5.466 -3.321 264 1HG2 ILE 33 1HG2 ILE 33 -9.413 4.629 -2.594 265 2HG2 ILE 33 2HG2 ILE 33 -9.139 2.888 -2.504 266 3HG2 ILE 33 3HG2 ILE 33 -8.528 3.945 -1.230 267 1HD1 ILE 33 1HD1 ILE 33 -7.151 7.484 -3.002 268 2HD1 ILE 33 2HD1 ILE 33 -7.866 6.487 -4.269 269 3HD1 ILE 33 3HD1 ILE 33 -8.593 6.528 -2.663 270 H GLU 34 H GLU 34 -6.673 1.842 -4.939 271 HA GLU 34 HA GLU 34 -8.700 -0.017 -4.527 272 1HB GLU 34 1HB GLU 34 -6.428 -0.185 -6.521 273 2HB GLU 34 2HB GLU 34 -7.952 -1.058 -6.619 274 1HG GLU 34 1HG GLU 34 -9.138 1.095 -6.781 275 2HG GLU 34 2HG GLU 34 -7.585 1.926 -6.771 276 H PHE 35 H PHE 35 -5.172 -0.443 -4.371 277 HA PHE 35 HA PHE 35 -5.251 -3.227 -3.874 278 1HB PHE 35 1HB PHE 35 -3.124 -1.166 -3.281 279 2HB PHE 35 2HB PHE 35 -2.898 -2.895 -3.033 280 HD1 PHE 35 HD1 PHE 35 -4.379 -3.862 -5.484 281 HD2 PHE 35 HD2 PHE 35 -1.512 -0.767 -4.930 282 HE1 PHE 35 HE1 PHE 35 -3.660 -4.113 -7.823 283 HE2 PHE 35 HE2 PHE 35 -0.795 -1.009 -7.267 284 HZ PHE 35 HZ PHE 35 -1.865 -2.689 -8.717 285 H ALA 36 H ALA 36 -5.114 -0.423 -1.727 286 HA ALA 36 HA ALA 36 -4.802 -1.794 0.693 287 1HB ALA 36 1HB ALA 36 -6.255 0.808 0.213 288 2HB ALA 36 2HB ALA 36 -5.649 0.224 1.763 289 3HB ALA 36 3HB ALA 36 -4.519 0.630 0.471 290 H LYS 37 H LYS 37 -7.763 -0.757 -0.990 291 HA LYS 37 HA LYS 37 -9.529 -1.776 0.972 292 1HB LYS 37 1HB LYS 37 -9.992 -1.128 -1.940 293 2HB LYS 37 2HB LYS 37 -11.269 -1.573 -0.816 294 1HG LYS 37 1HG LYS 37 -10.588 0.379 0.594 295 2HG LYS 37 2HG LYS 37 -9.507 0.862 -0.714 296 1HD LYS 37 1HD LYS 37 -12.494 0.507 -0.953 297 2HD LYS 37 2HD LYS 37 -11.660 2.053 -0.790 298 1HE LYS 37 1HE LYS 37 -10.454 1.585 -2.893 299 2HE LYS 37 2HE LYS 37 -11.370 0.087 -3.061 300 1HZ LYS 37 1HZ LYS 37 -12.290 1.943 -4.366 301 2HZ LYS 37 2HZ LYS 37 -13.399 1.341 -3.229 302 3HZ LYS 37 3HZ LYS 37 -12.579 2.796 -2.929 303 H GLN 38 H GLN 38 -8.214 -3.168 -2.013 304 HA GLN 38 HA GLN 38 -9.722 -5.532 -2.025 305 1HB GLN 38 1HB GLN 38 -6.912 -4.995 -2.991 306 2HB GLN 38 2HB GLN 38 -7.752 -6.514 -3.262 307 1HG GLN 38 1HG GLN 38 -9.475 -5.355 -4.527 308 2HG GLN 38 2HG GLN 38 -8.664 -3.817 -4.232 309 1HE2 GLN 38 2HE2 GLN 38 -6.952 -6.787 -4.851 310 2HE2 GLN 38 1HE2 GLN 38 -6.355 -6.349 -6.410 311 H TRP 39 H TRP 39 -6.619 -4.782 -0.480 312 HA TRP 39 HA TRP 39 -6.209 -7.339 0.637 313 1HB TRP 39 1HB TRP 39 -4.404 -5.688 0.433 314 2HB TRP 39 2HB TRP 39 -5.209 -4.654 1.612 315 HD1 TRP 39 HD1 TRP 39 -3.939 -8.330 1.550 316 HE1 TRP 39 HE1 TRP 39 -2.847 -8.829 3.825 317 HE3 TRP 39 HE3 TRP 39 -4.717 -3.815 3.816 318 HZ2 TRP 39 HZ2 TRP 39 -2.373 -7.475 6.254 319 HZ3 TRP 39 HZ3 TRP 39 -3.910 -3.499 6.120 320 HH2 TRP 39 HH2 TRP 39 -2.762 -5.294 7.313 321 H LEU 40 H LEU 40 -7.670 -4.387 1.983 322 HA LEU 40 HA LEU 40 -8.285 -5.390 4.515 323 1HB LEU 40 1HB LEU 40 -9.764 -3.357 2.848 324 2HB LEU 40 2HB LEU 40 -10.099 -3.673 4.539 325 HG LEU 40 HG LEU 40 -7.488 -2.625 3.443 326 1HD1 LEU 40 1HD1 LEU 40 -8.122 -0.534 4.523 327 2HD1 LEU 40 2HD1 LEU 40 -9.290 -0.994 3.285 328 3HD1 LEU 40 3HD1 LEU 40 -9.671 -1.236 4.990 329 1HD2 LEU 40 1HD2 LEU 40 -6.897 -2.271 5.788 330 2HD2 LEU 40 2HD2 LEU 40 -8.409 -3.031 6.287 331 3HD2 LEU 40 3HD2 LEU 40 -7.180 -3.979 5.451 332 H SER 41 H SER 41 -10.143 -5.515 1.501 333 HA SER 41 HA SER 41 -12.406 -6.798 2.593 334 1HB SER 41 1HB SER 41 -12.366 -5.644 0.381 335 2HB SER 41 2HB SER 41 -11.377 -6.959 -0.251 336 HG SER 41 HG SER 41 -13.848 -7.509 1.000 337 H SER 42 H SER 42 -9.353 -7.999 1.366 338 HA SER 42 HA SER 42 -10.106 -10.729 1.242 339 1HB SER 42 1HB SER 42 -8.111 -9.658 0.101 340 2HB SER 42 2HB SER 42 -7.312 -9.652 1.672 341 HG SER 42 HG SER 42 -8.430 -12.058 0.769 342 H ILE 43 H ILE 43 -8.636 -8.717 3.768 343 HA ILE 43 HA ILE 43 -8.390 -11.001 5.543 344 HB ILE 43 HB ILE 43 -7.456 -9.411 7.174 345 1HG1 ILE 43 1HG1 ILE 43 -7.876 -7.353 4.995 346 2HG1 ILE 43 2HG1 ILE 43 -8.766 -7.429 6.512 347 1HG2 ILE 43 1HG2 ILE 43 -5.984 -10.517 5.595 348 2HG2 ILE 43 2HG2 ILE 43 -6.254 -9.232 4.417 349 3HG2 ILE 43 3HG2 ILE 43 -5.412 -8.881 5.926 350 1HD1 ILE 43 1HD1 ILE 43 -5.813 -6.928 6.217 351 2HD1 ILE 43 2HD1 ILE 43 -7.048 -5.723 6.585 352 3HD1 ILE 43 3HD1 ILE 43 -6.698 -7.009 7.740 353 H GLY 44 H GLY 44 -10.830 -8.795 4.787 354 1HA GLY 44 1HA GLY 44 -13.032 -9.147 5.614 355 2HA GLY 44 2HA GLY 44 -12.345 -9.776 7.102 356 H GLU 45 H GLU 45 -10.700 -7.010 6.268 357 HA GLU 45 HA GLU 45 -12.199 -5.485 8.265 358 1HB GLU 45 1HB GLU 45 -9.454 -5.048 7.071 359 2HB GLU 45 2HB GLU 45 -10.194 -3.999 8.271 360 1HG GLU 45 1HG GLU 45 -9.651 -6.925 8.713 361 2HG GLU 45 2HG GLU 45 -8.540 -5.637 9.170 362 H GLU 46 H GLU 46 -13.359 -5.813 5.733 363 HA GLU 46 HA GLU 46 -12.912 -3.423 4.172 364 1HB GLU 46 1HB GLU 46 -14.821 -4.331 2.800 365 2HB GLU 46 2HB GLU 46 -13.421 -5.381 2.927 366 1HG GLU 46 1HG GLU 46 -14.575 -6.669 4.681 367 2HG GLU 46 2HG GLU 46 -15.991 -5.641 4.470 368 H GLY 47 H GLY 47 -14.039 -3.406 7.011 369 1HA GLY 47 1HA GLY 47 -16.541 -1.954 6.448 370 2HA GLY 47 2HA GLY 47 -16.117 -2.669 7.997 371 H ALA 48 H ALA 48 -14.037 -0.733 5.931 372 HA ALA 48 HA ALA 48 -14.152 1.460 7.881 373 1HB ALA 48 1HB ALA 48 -12.189 0.101 8.417 374 2HB ALA 48 2HB ALA 48 -11.612 0.275 6.759 375 3HB ALA 48 3HB ALA 48 -11.720 1.688 7.808 376 H THR 49 H THR 49 -13.049 3.462 6.964 377 HA THR 49 HA THR 49 -13.880 3.715 4.156 378 HB THR 49 HB THR 49 -13.458 5.928 6.173 379 HG1 THR 49 HG1 THR 49 -15.310 4.188 6.308 380 1HG2 THR 49 1HG2 THR 49 -13.298 6.647 3.835 381 2HG2 THR 49 2HG2 THR 49 -14.856 5.895 3.493 382 3HG2 THR 49 3HG2 THR 49 -14.764 7.274 4.590 383 H VAL 50 H VAL 50 -12.296 3.784 2.699 384 HA VAL 50 HA VAL 50 -9.719 4.971 3.491 385 HB VAL 50 HB VAL 50 -10.172 2.776 1.456 386 1HG1 VAL 50 1HG1 VAL 50 -7.615 4.074 2.399 387 2HG1 VAL 50 2HG1 VAL 50 -7.720 2.676 1.329 388 3HG1 VAL 50 3HG1 VAL 50 -8.342 4.240 0.800 389 1HG2 VAL 50 1HG2 VAL 50 -8.849 2.687 4.165 390 2HG2 VAL 50 2HG2 VAL 50 -10.408 1.974 3.746 391 3HG2 VAL 50 3HG2 VAL 50 -8.928 1.356 3.011 392 H THR 51 H THR 51 -9.842 6.995 2.717 393 HA THR 51 HA THR 51 -10.434 7.294 -0.157 394 HB THR 51 HB THR 51 -10.802 9.675 0.273 395 HG1 THR 51 HG1 THR 51 -10.198 8.965 2.982 396 1HG2 THR 51 1HG2 THR 51 -12.369 7.921 2.168 397 2HG2 THR 51 2HG2 THR 51 -12.862 9.516 1.599 398 3HG2 THR 51 3HG2 THR 51 -12.723 8.177 0.460 399 H SER 52 H SER 52 -9.153 9.547 -0.807 400 HA SER 52 HA SER 52 -6.462 8.699 -1.046 401 1HB SER 52 1HB SER 52 -7.611 10.019 -2.776 402 2HB SER 52 2HB SER 52 -7.694 11.393 -1.674 403 HG SER 52 HG SER 52 -5.206 10.822 -1.653 404 H GLU 53 H GLU 53 -7.958 10.140 1.551 405 HA GLU 53 HA GLU 53 -5.684 11.759 2.368 406 1HB GLU 53 1HB GLU 53 -8.346 12.017 2.819 407 2HB GLU 53 2HB GLU 53 -7.861 11.188 4.289 408 1HG GLU 53 1HG GLU 53 -6.672 13.764 3.277 409 2HG GLU 53 2HG GLU 53 -7.905 13.632 4.527 410 H GLU 54 H GLU 54 -7.306 8.752 3.261 411 HA GLU 54 HA GLU 54 -5.696 8.170 5.512 412 1HB GLU 54 1HB GLU 54 -7.425 6.434 3.754 413 2HB GLU 54 2HB GLU 54 -6.542 5.795 5.132 414 1HG GLU 54 1HG GLU 54 -8.794 6.210 5.793 415 2HG GLU 54 2HG GLU 54 -7.751 7.383 6.592 416 H CYS 55 H CYS 55 -5.448 7.362 2.094 417 HA CYS 55 HA CYS 55 -2.938 5.957 2.567 418 1HB CYS 55 1HB CYS 55 -3.025 5.506 0.118 419 2HB CYS 55 2HB CYS 55 -4.452 4.929 0.976 420 HG CYS 55 HG CYS 55 -4.344 7.875 -0.748 421 H ARG 56 H ARG 56 -1.480 7.507 3.141 422 HA ARG 56 HA ARG 56 -1.266 9.881 1.437 423 1HB ARG 56 1HB ARG 56 0.208 10.714 3.362 424 2HB ARG 56 2HB ARG 56 -1.521 10.587 3.649 425 1HG ARG 56 1HG ARG 56 -1.051 8.326 4.677 426 2HG ARG 56 2HG ARG 56 0.657 8.759 4.612 427 1HD ARG 56 1HD ARG 56 -1.353 10.570 5.892 428 2HD ARG 56 2HD ARG 56 -0.677 9.205 6.776 429 HE ARG 56 HE ARG 56 1.492 10.220 6.580 430 1HH1 ARG 56 1HH1 ARG 56 -1.203 12.241 5.590 431 2HH1 ARG 56 2HH1 ARG 56 -0.354 13.734 5.884 432 1HH2 ARG 56 1HH2 ARG 56 2.594 12.183 6.993 433 2HH2 ARG 56 2HH2 ARG 56 1.814 13.703 6.668 434 H PHE 57 H PHE 57 0.285 10.050 0.037 435 HA PHE 57 HA PHE 57 2.416 8.127 -0.108 436 1HB PHE 57 1HB PHE 57 1.369 8.960 -2.159 437 2HB PHE 57 2HB PHE 57 1.837 10.606 -1.754 438 HD1 PHE 57 HD1 PHE 57 3.188 7.268 -2.621 439 HD2 PHE 57 HD2 PHE 57 3.918 11.456 -2.397 440 HE1 PHE 57 HE1 PHE 57 5.292 6.967 -3.859 441 HE2 PHE 57 HE2 PHE 57 6.023 11.159 -3.633 442 HZ PHE 57 HZ PHE 57 6.712 8.911 -4.367 443 H CYS 58 H CYS 58 3.999 8.317 1.358 444 HA CYS 58 HA CYS 58 4.783 10.919 2.338 445 1HB CYS 58 1HB CYS 58 5.830 8.161 2.991 446 2HB CYS 58 2HB CYS 58 6.296 9.644 3.820 447 HG CYS 58 HG CYS 58 4.599 8.635 5.613 448 H HIS 59 H HIS 59 6.435 8.231 0.642 449 HA HIS 59 HA HIS 59 7.977 10.128 -0.858 450 1HB HIS 59 1HB HIS 59 10.185 9.479 -0.122 451 2HB HIS 59 2HB HIS 59 9.270 10.061 1.252 452 HD1 HIS 59 HD1 HIS 59 8.921 8.441 3.202 453 HD2 HIS 59 HD2 HIS 59 10.728 6.694 -0.114 454 HE1 HIS 59 HE1 HIS 59 9.725 6.184 3.972 455 HE2 HIS 59 HE2 HIS 59 11.032 5.263 2.017 456 H SER 60 H SER 60 9.758 8.913 -2.093 457 HA SER 60 HA SER 60 8.963 6.168 -2.755 458 1HB SER 60 1HB SER 60 7.884 7.829 -4.363 459 2HB SER 60 2HB SER 60 9.514 8.241 -4.893 460 HG SER 60 HG SER 60 8.891 5.537 -4.839 461 H GLU 61 H GLU 61 10.728 4.871 -3.050 462 HA GLU 61 HA GLU 61 13.322 6.155 -3.471 463 1HB GLU 61 1HB GLU 61 14.333 4.889 -1.613 464 2HB GLU 61 2HB GLU 61 13.120 6.033 -1.057 465 1HG GLU 61 1HG GLU 61 11.503 4.210 -0.843 466 2HG GLU 61 2HG GLU 61 12.731 3.066 -1.386 467 H LYS 62 H LYS 62 15.066 4.295 -3.530 468 HA LYS 62 HA LYS 62 14.280 2.549 -5.643 469 1HB LYS 62 1HB LYS 62 16.834 2.681 -4.030 470 2HB LYS 62 2HB LYS 62 16.602 1.671 -5.453 471 1HG LYS 62 1HG LYS 62 16.219 3.651 -6.815 472 2HG LYS 62 2HG LYS 62 16.414 4.674 -5.391 473 1HD LYS 62 1HD LYS 62 18.720 3.848 -5.142 474 2HD LYS 62 2HD LYS 62 18.513 2.877 -6.603 475 1HE LYS 62 1HE LYS 62 18.126 4.897 -7.907 476 2HE LYS 62 2HE LYS 62 18.277 5.881 -6.451 477 1HZ LYS 62 1HZ LYS 62 20.407 4.255 -7.733 478 2HZ LYS 62 2HZ LYS 62 20.325 5.947 -7.642 479 3HZ LYS 62 3HZ LYS 62 20.577 5.031 -6.236 480 H ALA 63 H ALA 63 13.542 0.571 -5.552 481 HA ALA 63 HA ALA 63 12.718 -0.467 -3.022 482 1HB ALA 63 1HB ALA 63 11.535 -2.116 -4.296 483 2HB ALA 63 2HB ALA 63 11.342 -0.545 -5.070 484 3HB ALA 63 3HB ALA 63 12.466 -1.725 -5.742 485 HA PRO 64 HA PRO 64 15.959 -3.489 -2.241 486 1HB PRO 64 1HB PRO 64 13.665 -4.901 -0.987 487 2HB PRO 64 2HB PRO 64 15.246 -4.503 -0.307 488 1HG PRO 64 1HG PRO 64 13.062 -3.162 0.429 489 2HG PRO 64 2HG PRO 64 14.619 -2.337 0.225 490 1HD PRO 64 1HD PRO 64 12.240 -2.378 -1.584 491 2HD PRO 64 2HD PRO 64 13.353 -1.045 -1.212 492 H ASP 65 H ASP 65 16.428 -5.569 -3.082 493 HA ASP 65 HA ASP 65 15.348 -5.816 -5.667 494 1HB ASP 65 1HB ASP 65 17.696 -6.357 -5.000 495 2HB ASP 65 2HB ASP 65 17.089 -7.837 -4.261 496 H GLU 66 H GLU 66 14.624 -7.579 -2.705 497 HA GLU 66 HA GLU 66 13.338 -9.723 -4.155 498 1HB GLU 66 1HB GLU 66 12.685 -10.587 -1.929 499 2HB GLU 66 2HB GLU 66 14.412 -10.325 -2.093 500 1HG GLU 66 1HG GLU 66 12.634 -8.282 -0.813 501 2HG GLU 66 2HG GLU 66 13.280 -9.650 0.094 502 H VAL 67 H VAL 67 12.352 -6.711 -2.724 503 HA VAL 67 HA VAL 67 9.578 -7.444 -2.524 504 HB VAL 67 HB VAL 67 9.118 -5.284 -1.776 505 1HG1 VAL 67 1HG1 VAL 67 10.853 -4.738 -0.159 506 2HG1 VAL 67 2HG1 VAL 67 10.571 -6.477 -0.241 507 3HG1 VAL 67 3HG1 VAL 67 11.988 -5.775 -1.025 508 1HG2 VAL 67 1HG2 VAL 67 11.647 -4.312 -3.101 509 2HG2 VAL 67 2HG2 VAL 67 9.999 -4.024 -3.660 510 3HG2 VAL 67 3HG2 VAL 67 10.549 -3.326 -2.135 511 H ILE 68 H ILE 68 11.656 -6.245 -4.958 512 HA ILE 68 HA ILE 68 9.838 -4.845 -6.568 513 HB ILE 68 HB ILE 68 12.404 -6.267 -7.270 514 1HG1 ILE 68 1HG1 ILE 68 11.833 -3.334 -6.856 515 2HG1 ILE 68 2HG1 ILE 68 12.398 -4.394 -5.573 516 1HG2 ILE 68 1HG2 ILE 68 12.436 -4.888 -9.297 517 2HG2 ILE 68 2HG2 ILE 68 11.048 -5.976 -9.284 518 3HG2 ILE 68 3HG2 ILE 68 10.835 -4.268 -8.899 519 1HD1 ILE 68 1HD1 ILE 68 13.863 -3.712 -8.102 520 2HD1 ILE 68 2HD1 ILE 68 14.214 -3.128 -6.474 521 3HD1 ILE 68 3HD1 ILE 68 14.426 -4.834 -6.864 522 H GLU 69 H GLU 69 10.966 -8.224 -6.791 523 HA GLU 69 HA GLU 69 9.215 -8.858 -8.933 524 1HB GLU 69 1HB GLU 69 11.278 -10.139 -8.430 525 2HB GLU 69 2HB GLU 69 10.523 -10.737 -6.958 526 1HG GLU 69 1HG GLU 69 8.863 -11.916 -8.216 527 2HG GLU 69 2HG GLU 69 9.429 -11.195 -9.721 528 H ALA 70 H ALA 70 8.951 -8.939 -5.445 529 HA ALA 70 HA ALA 70 6.623 -10.501 -5.230 530 1HB ALA 70 1HB ALA 70 8.043 -9.947 -3.314 531 2HB ALA 70 2HB ALA 70 7.540 -8.261 -3.429 532 3HB ALA 70 3HB ALA 70 6.361 -9.508 -3.022 533 H ILE 71 H ILE 71 7.089 -7.023 -5.696 534 HA ILE 71 HA ILE 71 4.315 -6.370 -5.619 535 HB ILE 71 HB ILE 71 6.636 -4.832 -6.805 536 1HG1 ILE 71 1HG1 ILE 71 5.219 -4.531 -4.147 537 2HG1 ILE 71 2HG1 ILE 71 6.794 -5.285 -4.372 538 1HG2 ILE 71 1HG2 ILE 71 4.532 -4.084 -7.773 539 2HG2 ILE 71 2HG2 ILE 71 3.836 -3.908 -6.161 540 3HG2 ILE 71 3HG2 ILE 71 5.169 -2.868 -6.665 541 1HD1 ILE 71 1HD1 ILE 71 7.010 -3.015 -3.551 542 2HD1 ILE 71 2HD1 ILE 71 7.693 -3.163 -5.171 543 3HD1 ILE 71 3HD1 ILE 71 6.114 -2.412 -4.945 544 H LYS 72 H LYS 72 6.495 -7.449 -8.126 545 HA LYS 72 HA LYS 72 4.731 -6.850 -10.301 546 1HB LYS 72 1HB LYS 72 7.035 -8.801 -10.106 547 2HB LYS 72 2HB LYS 72 6.197 -8.387 -11.595 548 1HG LYS 72 1HG LYS 72 7.771 -6.492 -9.864 549 2HG LYS 72 2HG LYS 72 8.287 -7.175 -11.407 550 1HD LYS 72 1HD LYS 72 6.309 -6.088 -12.467 551 2HD LYS 72 2HD LYS 72 5.978 -5.297 -10.926 552 1HE LYS 72 1HE LYS 72 8.157 -4.201 -11.012 553 2HE LYS 72 2HE LYS 72 8.512 -5.012 -12.538 554 1HZ LYS 72 1HZ LYS 72 6.408 -3.893 -13.377 555 2HZ LYS 72 2HZ LYS 72 6.507 -2.903 -12.007 556 3HZ LYS 72 3HZ LYS 72 7.763 -2.900 -13.144 557 H GLN 73 H GLN 73 5.287 -9.585 -8.202 558 HA GLN 73 HA GLN 73 3.587 -11.392 -9.634 559 1HB GLN 73 1HB GLN 73 5.483 -12.183 -8.321 560 2HB GLN 73 2HB GLN 73 4.770 -11.525 -6.858 561 1HG GLN 73 1HG GLN 73 2.877 -13.092 -7.129 562 2HG GLN 73 2HG GLN 73 3.708 -13.800 -8.515 563 1HE2 GLN 73 2HE2 GLN 73 3.841 -15.810 -7.495 564 2HE2 GLN 73 1HE2 GLN 73 4.950 -16.106 -6.200 565 H ASN 74 H ASN 74 3.287 -9.668 -6.520 566 HA ASN 74 HA ASN 74 0.556 -10.619 -6.224 567 1HB ASN 74 1HB ASN 74 2.309 -8.902 -4.462 568 2HB ASN 74 2HB ASN 74 0.645 -9.315 -4.066 569 1HD2 ASN 74 2HD2 ASN 74 3.891 -10.499 -4.415 570 2HD2 ASN 74 1HD2 ASN 74 3.642 -12.013 -3.607 571 H GLY 75 H GLY 75 2.179 -7.818 -7.361 572 1HA GLY 75 1HA GLY 75 1.097 -6.077 -8.553 573 2HA GLY 75 2HA GLY 75 -0.394 -6.450 -7.694 574 H TYR 76 H TYR 76 1.084 -6.615 -5.140 575 HA TYR 76 HA TYR 76 2.003 -3.934 -4.593 576 1HB TYR 76 1HB TYR 76 0.212 -3.589 -2.839 577 2HB TYR 76 2HB TYR 76 -0.359 -3.489 -4.500 578 HD1 TYR 76 HD1 TYR 76 -0.587 -5.307 -1.353 579 HD2 TYR 76 HD2 TYR 76 -1.690 -5.339 -5.463 580 HE1 TYR 76 HE1 TYR 76 -2.285 -7.026 -0.883 581 HE2 TYR 76 HE2 TYR 76 -3.386 -7.050 -5.004 582 HH TYR 76 HH TYR 76 -3.760 -8.842 -3.286 583 H PHE 77 H PHE 77 3.003 -3.792 -2.516 584 HA PHE 77 HA PHE 77 3.138 -6.351 -1.054 585 1HB PHE 77 1HB PHE 77 5.300 -5.687 -2.165 586 2HB PHE 77 2HB PHE 77 5.317 -4.253 -1.147 587 HD1 PHE 77 HD1 PHE 77 5.992 -4.364 1.131 588 HD2 PHE 77 HD2 PHE 77 5.518 -7.926 -1.150 589 HE1 PHE 77 HE1 PHE 77 7.117 -5.645 2.905 590 HE2 PHE 77 HE2 PHE 77 6.643 -9.212 0.620 591 HZ PHE 77 HZ PHE 77 7.443 -8.071 2.651 592 H ILE 78 H ILE 78 2.215 -6.260 0.865 593 HA ILE 78 HA ILE 78 1.774 -3.634 2.107 594 HB ILE 78 HB ILE 78 0.409 -6.268 2.703 595 1HG1 ILE 78 1HG1 ILE 78 -0.167 -5.431 0.462 596 2HG1 ILE 78 2HG1 ILE 78 -1.543 -5.330 1.554 597 1HG2 ILE 78 1HG2 ILE 78 0.449 -4.795 4.628 598 2HG2 ILE 78 2HG2 ILE 78 -0.199 -3.473 3.657 599 3HG2 ILE 78 3HG2 ILE 78 -1.186 -4.901 3.975 600 1HD1 ILE 78 1HD1 ILE 78 -1.371 -3.360 0.143 601 2HD1 ILE 78 2HD1 ILE 78 -1.143 -2.947 1.842 602 3HD1 ILE 78 3HD1 ILE 78 0.250 -3.045 0.765 603 H TYR 79 H TYR 79 3.197 -3.126 3.662 604 HA TYR 79 HA TYR 79 4.251 -5.297 5.340 605 1HB TYR 79 1HB TYR 79 5.934 -3.808 4.291 606 2HB TYR 79 2HB TYR 79 5.209 -2.431 5.113 607 HD1 TYR 79 HD1 TYR 79 7.167 -5.516 5.574 608 HD2 TYR 79 HD2 TYR 79 5.615 -2.027 7.449 609 HE1 TYR 79 HE1 TYR 79 8.605 -5.932 7.525 610 HE2 TYR 79 HE2 TYR 79 7.051 -2.430 9.401 611 HH TYR 79 HH TYR 79 8.192 -4.350 10.482 612 H LYS 80 H LYS 80 3.492 -5.542 7.347 613 HA LYS 80 HA LYS 80 1.553 -3.638 8.348 614 1HB LYS 80 1HB LYS 80 2.575 -6.170 9.645 615 2HB LYS 80 2HB LYS 80 1.154 -5.252 10.122 616 1HG LYS 80 1HG LYS 80 0.154 -5.752 7.911 617 2HG LYS 80 2HG LYS 80 1.545 -6.780 7.560 618 1HD LYS 80 1HD LYS 80 0.993 -8.106 9.595 619 2HD LYS 80 2HD LYS 80 -0.474 -7.139 9.770 620 1HE LYS 80 1HE LYS 80 -1.082 -9.150 8.655 621 2HE LYS 80 2HE LYS 80 -1.113 -7.856 7.461 622 1HZ LYS 80 1HZ LYS 80 -0.048 -9.736 6.497 623 2HZ LYS 80 2HZ LYS 80 1.153 -8.576 6.783 624 3HZ LYS 80 3HZ LYS 80 0.998 -9.910 7.820 625 H MET 81 H MET 81 2.597 -1.811 8.969 626 HA MET 81 HA MET 81 5.102 -1.856 10.319 627 1HB MET 81 1HB MET 81 4.444 0.005 8.861 628 2HB MET 81 2HB MET 81 3.150 0.421 9.978 629 1HG MET 81 1HG MET 81 4.849 0.832 11.726 630 2HG MET 81 2HG MET 81 6.105 0.527 10.528 631 1HE MET 81 1HE MET 81 4.616 1.826 7.952 632 2HE MET 81 2HE MET 81 6.341 2.009 8.273 633 3HE MET 81 3HE MET 81 5.348 3.430 7.947 634 H GLU 82 H GLU 82 1.942 -0.593 11.370 635 HA GLU 82 HA GLU 82 2.402 -1.580 14.083 636 1HB GLU 82 1HB GLU 82 2.122 1.320 13.319 637 2HB GLU 82 2HB GLU 82 1.626 0.751 14.906 638 1HG GLU 82 1HG GLU 82 4.380 0.251 13.834 639 2HG GLU 82 2HG GLU 82 3.956 1.738 14.681 640 H GLY 83 H GLY 83 0.372 -1.137 15.454 641 1HA GLY 83 1HA GLY 83 -1.892 -1.455 15.736 642 2HA GLY 83 2HA GLY 83 -2.100 -0.532 14.253 643 H CYS 84 H CYS 84 -0.247 -3.467 14.338 644 HA CYS 84 HA CYS 84 -2.437 -4.904 13.002 645 1HB CYS 84 1HB CYS 84 0.456 -4.895 12.108 646 2HB CYS 84 2HB CYS 84 -0.853 -5.809 11.369 647 HG CYS 84 HG CYS 84 -0.648 -2.390 11.433 648 H ASN 85 H ASN 85 -0.154 -4.800 15.415 649 HA ASN 85 HA ASN 85 -0.368 -7.703 15.838 650 1HB ASN 85 1HB ASN 85 2.044 -5.973 16.457 651 2HB ASN 85 2HB ASN 85 1.876 -7.673 16.881 652 1HD2 ASN 85 2HD2 ASN 85 2.561 -5.395 14.388 653 2HD2 ASN 85 1HD2 ASN 85 3.006 -6.542 13.175 Start of MODEL 16 1 H MET 1 H MET 1 14.766 -0.239 -9.825 2 HA MET 1 HA MET 1 12.076 0.610 -10.727 3 1HB MET 1 1HB MET 1 12.247 -1.820 -10.625 4 2HB MET 1 2HB MET 1 12.951 -1.729 -9.018 5 1HG MET 1 1HG MET 1 10.861 -0.817 -8.150 6 2HG MET 1 2HG MET 1 10.156 -0.897 -9.764 7 1HE MET 1 1HE MET 1 8.964 -2.233 -7.036 8 2HE MET 1 2HE MET 1 8.364 -3.757 -7.688 9 3HE MET 1 3HE MET 1 8.123 -2.259 -8.585 10 H GLN 2 H GLN 2 10.820 1.616 -9.166 11 HA GLN 2 HA GLN 2 12.126 2.242 -6.607 12 1HB GLN 2 1HB GLN 2 11.224 4.515 -6.711 13 2HB GLN 2 2HB GLN 2 12.289 4.210 -8.076 14 1HG GLN 2 1HG GLN 2 10.434 3.950 -9.555 15 2HG GLN 2 2HG GLN 2 9.292 3.996 -8.214 16 1HE2 GLN 2 2HE2 GLN 2 12.071 6.095 -8.437 17 2HE2 GLN 2 1HE2 GLN 2 11.180 7.554 -8.709 18 H ILE 3 H ILE 3 10.677 2.534 -4.844 19 HA ILE 3 HA ILE 3 7.990 1.458 -5.381 20 HB ILE 3 HB ILE 3 7.927 0.970 -2.912 21 1HG1 ILE 3 1HG1 ILE 3 10.915 1.419 -3.117 22 2HG1 ILE 3 2HG1 ILE 3 9.798 2.502 -2.297 23 1HG2 ILE 3 1HG2 ILE 3 9.240 -1.088 -3.135 24 2HG2 ILE 3 2HG2 ILE 3 8.273 -0.760 -4.572 25 3HG2 ILE 3 3HG2 ILE 3 10.005 -0.432 -4.582 26 1HD1 ILE 3 1HD1 ILE 3 9.222 0.703 -0.738 27 2HD1 ILE 3 2HD1 ILE 3 10.376 -0.353 -1.549 28 3HD1 ILE 3 3HD1 ILE 3 10.942 1.090 -0.707 29 H HIS 4 H HIS 4 6.258 2.640 -4.998 30 HA HIS 4 HA HIS 4 6.586 5.250 -3.723 31 1HB HIS 4 1HB HIS 4 4.366 4.031 -5.367 32 2HB HIS 4 2HB HIS 4 4.158 5.539 -4.481 33 HD1 HIS 4 HD1 HIS 4 4.480 7.494 -5.928 34 HD2 HIS 4 HD2 HIS 4 6.894 4.322 -7.089 35 HE1 HIS 4 HE1 HIS 4 5.772 8.324 -7.910 36 HE2 HIS 4 HE2 HIS 4 7.402 6.475 -8.427 37 H VAL 5 H VAL 5 6.389 5.246 -1.605 38 HA VAL 5 HA VAL 5 4.936 3.109 -0.290 39 HB VAL 5 HB VAL 5 6.501 5.388 0.930 40 1HG1 VAL 5 1HG1 VAL 5 4.880 4.421 2.471 41 2HG1 VAL 5 2HG1 VAL 5 5.504 2.807 2.132 42 3HG1 VAL 5 3HG1 VAL 5 6.524 3.994 2.946 43 1HG2 VAL 5 1HG2 VAL 5 7.339 2.544 0.364 44 2HG2 VAL 5 2HG2 VAL 5 7.918 3.984 -0.473 45 3HG2 VAL 5 3HG2 VAL 5 8.293 3.746 1.234 46 H TYR 6 H TYR 6 2.824 3.347 -0.184 47 HA TYR 6 HA TYR 6 1.697 5.954 0.550 48 1HB TYR 6 1HB TYR 6 0.444 3.440 -0.566 49 2HB TYR 6 2HB TYR 6 -0.506 4.797 0.026 50 HD1 TYR 6 HD1 TYR 6 -1.083 6.517 -1.420 51 HD2 TYR 6 HD2 TYR 6 2.168 3.970 -2.443 52 HE1 TYR 6 HE1 TYR 6 -0.939 7.594 -3.625 53 HE2 TYR 6 HE2 TYR 6 2.320 5.041 -4.651 54 HH TYR 6 HH TYR 6 0.639 7.942 -5.396 55 H ASP 7 H ASP 7 1.934 6.117 2.734 56 HA ASP 7 HA ASP 7 1.499 3.920 4.510 57 1HB ASP 7 1HB ASP 7 2.931 5.985 4.986 58 2HB ASP 7 2HB ASP 7 1.421 6.845 5.264 59 H THR 8 H THR 8 -0.441 3.054 4.670 60 HA THR 8 HA THR 8 -2.794 4.754 4.307 61 HB THR 8 HB THR 8 -2.703 1.738 4.449 62 HG1 THR 8 HG1 THR 8 -1.434 2.885 2.699 63 1HG2 THR 8 1HG2 THR 8 -4.917 2.733 4.788 64 2HG2 THR 8 2HG2 THR 8 -4.737 3.656 3.295 65 3HG2 THR 8 3HG2 THR 8 -4.833 1.896 3.239 66 H TYR 9 H TYR 9 -3.395 5.657 6.175 67 HA TYR 9 HA TYR 9 -3.102 4.251 8.691 68 1HB TYR 9 1HB TYR 9 -4.431 6.916 8.131 69 2HB TYR 9 2HB TYR 9 -3.958 6.296 9.706 70 HD1 TYR 9 HD1 TYR 9 -1.585 6.233 10.351 71 HD2 TYR 9 HD2 TYR 9 -2.825 7.906 6.641 72 HE1 TYR 9 HE1 TYR 9 0.595 7.348 10.132 73 HE2 TYR 9 HE2 TYR 9 -0.646 9.021 6.409 74 HH TYR 9 HH TYR 9 1.187 9.797 7.863 75 H VAL 10 H VAL 10 -4.515 2.595 8.876 76 HA VAL 10 HA VAL 10 -7.351 3.154 8.333 77 HB VAL 10 HB VAL 10 -5.964 0.474 8.573 78 1HG1 VAL 10 1HG1 VAL 10 -8.804 1.148 7.806 79 2HG1 VAL 10 2HG1 VAL 10 -8.081 -0.460 7.761 80 3HG1 VAL 10 3HG1 VAL 10 -8.285 0.372 9.303 81 1HG2 VAL 10 1HG2 VAL 10 -5.314 1.648 6.544 82 2HG2 VAL 10 2HG2 VAL 10 -6.361 0.279 6.163 83 3HG2 VAL 10 3HG2 VAL 10 -7.010 1.920 6.142 84 H LYS 11 H LYS 11 -8.403 3.711 10.126 85 HA LYS 11 HA LYS 11 -7.574 2.859 12.726 86 1HB LYS 11 1HB LYS 11 -10.145 4.187 11.834 87 2HB LYS 11 2HB LYS 11 -9.648 3.963 13.507 88 1HG LYS 11 1HG LYS 11 -7.672 5.362 13.093 89 2HG LYS 11 2HG LYS 11 -8.214 5.613 11.434 90 1HD LYS 11 1HD LYS 11 -8.828 7.518 12.796 91 2HD LYS 11 2HD LYS 11 -10.280 6.652 12.295 92 1HE LYS 11 1HE LYS 11 -10.391 5.558 14.472 93 2HE LYS 11 2HE LYS 11 -8.918 6.389 14.973 94 1HZ LYS 11 1HZ LYS 11 -11.471 7.723 14.239 95 2HZ LYS 11 2HZ LYS 11 -10.917 7.466 15.820 96 3HZ LYS 11 3HZ LYS 11 -10.061 8.497 14.779 97 H ALA 12 H ALA 12 -7.607 0.718 12.960 98 HA ALA 12 HA ALA 12 -9.377 -1.065 11.735 99 1HB ALA 12 1HB ALA 12 -7.174 -1.709 12.578 100 2HB ALA 12 2HB ALA 12 -7.737 -1.473 14.232 101 3HB ALA 12 3HB ALA 12 -8.442 -2.745 13.234 102 H LYS 13 H LYS 13 -11.004 -2.403 12.643 103 HA LYS 13 HA LYS 13 -12.931 -0.874 14.077 104 1HB LYS 13 1HB LYS 13 -13.488 -2.553 12.335 105 2HB LYS 13 2HB LYS 13 -12.947 -3.825 13.420 106 1HG LYS 13 1HG LYS 13 -15.347 -3.667 13.449 107 2HG LYS 13 2HG LYS 13 -14.694 -3.194 15.015 108 1HD LYS 13 1HD LYS 13 -14.922 -0.828 14.378 109 2HD LYS 13 2HD LYS 13 -15.620 -1.324 12.835 110 1HE LYS 13 1HE LYS 13 -17.356 -0.682 14.427 111 2HE LYS 13 2HE LYS 13 -17.476 -2.389 14.002 112 1HZ LYS 13 1HZ LYS 13 -16.358 -2.945 16.079 113 2HZ LYS 13 2HZ LYS 13 -16.248 -1.302 16.481 114 3HZ LYS 13 3HZ LYS 13 -17.765 -2.048 16.376 115 H ASP 14 H ASP 14 -10.557 -3.225 14.948 116 HA ASP 14 HA ASP 14 -11.474 -3.887 17.527 117 1HB ASP 14 1HB ASP 14 -9.677 -5.133 16.415 118 2HB ASP 14 2HB ASP 14 -8.632 -3.717 16.494 119 H GLY 15 H GLY 15 -9.887 -1.066 16.259 120 1HA GLY 15 1HA GLY 15 -10.160 1.022 17.431 121 2HA GLY 15 2HA GLY 15 -10.039 0.135 18.943 122 H HIS 16 H HIS 16 -7.951 -0.068 16.096 123 HA HIS 16 HA HIS 16 -5.781 1.177 17.631 124 1HB HIS 16 1HB HIS 16 -5.675 -1.368 17.731 125 2HB HIS 16 2HB HIS 16 -5.401 -1.339 15.996 126 HD1 HIS 16 HD1 HIS 16 -3.722 -0.815 19.255 127 HD2 HIS 16 HD2 HIS 16 -2.843 -0.360 15.215 128 HE1 HIS 16 HE1 HIS 16 -1.231 -0.509 19.133 129 HE2 HIS 16 HE2 HIS 16 -0.707 -0.526 16.670 130 H VAL 17 H VAL 17 -4.272 2.291 16.348 131 HA VAL 17 HA VAL 17 -5.231 3.043 13.734 132 HB VAL 17 HB VAL 17 -2.618 3.817 15.052 133 1HG1 VAL 17 1HG1 VAL 17 -2.684 5.725 13.508 134 2HG1 VAL 17 2HG1 VAL 17 -2.623 4.186 12.648 135 3HG1 VAL 17 3HG1 VAL 17 -4.145 5.069 12.770 136 1HG2 VAL 17 1HG2 VAL 17 -3.759 5.881 15.714 137 2HG2 VAL 17 2HG2 VAL 17 -5.274 5.249 15.069 138 3HG2 VAL 17 3HG2 VAL 17 -4.506 4.463 16.449 139 H MET 18 H MET 18 -5.150 1.143 12.585 140 HA MET 18 HA MET 18 -2.655 -0.310 12.344 141 1HB MET 18 1HB MET 18 -4.739 -1.571 12.534 142 2HB MET 18 2HB MET 18 -5.379 -0.769 11.109 143 1HG MET 18 1HG MET 18 -3.723 -1.839 9.717 144 2HG MET 18 2HG MET 18 -2.967 -2.569 11.132 145 1HE MET 18 1HE MET 18 -3.106 -4.981 10.007 146 2HE MET 18 2HE MET 18 -3.829 -4.244 8.577 147 3HE MET 18 3HE MET 18 -4.589 -5.648 9.325 148 H HIS 19 H HIS 19 -1.315 1.114 11.267 149 HA HIS 19 HA HIS 19 -2.145 1.715 8.512 150 1HB HIS 19 1HB HIS 19 -0.856 3.700 8.498 151 2HB HIS 19 2HB HIS 19 -1.742 3.721 10.013 152 HD1 HIS 19 HD1 HIS 19 1.422 4.509 8.744 153 HD2 HIS 19 HD2 HIS 19 0.106 2.535 12.163 154 HE1 HIS 19 HE1 HIS 19 3.335 4.624 10.375 155 HE2 HIS 19 HE2 HIS 19 2.619 3.166 12.308 156 H PHE 20 H PHE 20 -0.851 1.134 6.867 157 HA PHE 20 HA PHE 20 1.565 -0.381 7.545 158 1HB PHE 20 1HB PHE 20 0.784 -2.100 5.830 159 2HB PHE 20 2HB PHE 20 -0.059 -2.092 7.375 160 HD1 PHE 20 HD1 PHE 20 -2.365 -1.404 7.533 161 HD2 PHE 20 HD2 PHE 20 -0.323 -1.358 3.797 162 HE1 PHE 20 HE1 PHE 20 -4.518 -1.180 6.364 163 HE2 PHE 20 HE2 PHE 20 -2.474 -1.132 2.622 164 HZ PHE 20 HZ PHE 20 -4.573 -1.042 3.906 165 H ASP 21 H ASP 21 2.767 -1.014 5.489 166 HA ASP 21 HA ASP 21 2.976 1.413 3.864 167 1HB ASP 21 1HB ASP 21 4.839 -0.954 4.163 168 2HB ASP 21 2HB ASP 21 5.142 0.418 3.109 169 H VAL 22 H VAL 22 1.800 1.398 2.064 170 HA VAL 22 HA VAL 22 1.424 -1.075 0.569 171 HB VAL 22 HB VAL 22 0.424 1.715 -0.051 172 1HG1 VAL 22 1HG1 VAL 22 -0.320 -0.946 -1.264 173 2HG1 VAL 22 2HG1 VAL 22 -1.080 0.602 -1.630 174 3HG1 VAL 22 3HG1 VAL 22 0.610 0.329 -2.050 175 1HG2 VAL 22 1HG2 VAL 22 -0.539 0.845 2.009 176 2HG2 VAL 22 2HG2 VAL 22 -1.748 0.896 0.726 177 3HG2 VAL 22 3HG2 VAL 22 -1.005 -0.639 1.176 178 H PHE 23 H PHE 23 3.301 -1.621 -0.395 179 HA PHE 23 HA PHE 23 4.911 0.393 -1.730 180 1HB PHE 23 1HB PHE 23 5.268 -2.606 -1.528 181 2HB PHE 23 2HB PHE 23 6.433 -1.491 -2.232 182 HD1 PHE 23 HD1 PHE 23 5.503 -3.228 0.662 183 HD2 PHE 23 HD2 PHE 23 7.213 0.444 -0.636 184 HE1 PHE 23 HE1 PHE 23 6.539 -2.934 2.873 185 HE2 PHE 23 HE2 PHE 23 8.255 0.744 1.573 186 HZ PHE 23 HZ PHE 23 7.919 -0.947 3.330 187 H THR 24 H THR 24 4.171 1.088 -3.631 188 HA THR 24 HA THR 24 3.350 -0.946 -5.596 189 HB THR 24 HB THR 24 1.838 0.840 -6.573 190 HG1 THR 24 HG1 THR 24 2.187 2.012 -3.994 191 1HG2 THR 24 1HG2 THR 24 0.014 0.407 -4.998 192 2HG2 THR 24 2HG2 THR 24 0.950 -1.056 -5.310 193 3HG2 THR 24 3HG2 THR 24 1.177 -0.166 -3.803 194 H ASP 25 H ASP 25 4.261 -0.794 -7.589 195 HA ASP 25 HA ASP 25 6.092 1.453 -8.070 196 1HB ASP 25 1HB ASP 25 7.228 0.083 -9.624 197 2HB ASP 25 2HB ASP 25 6.822 -1.005 -8.301 198 H VAL 26 H VAL 26 3.016 0.408 -8.767 199 HA VAL 26 HA VAL 26 2.647 1.007 -11.462 200 HB VAL 26 HB VAL 26 0.995 -0.207 -10.105 201 1HG1 VAL 26 1HG1 VAL 26 -0.547 0.995 -8.636 202 2HG1 VAL 26 2HG1 VAL 26 1.117 1.089 -8.056 203 3HG1 VAL 26 3HG1 VAL 26 0.386 2.473 -8.870 204 1HG2 VAL 26 1HG2 VAL 26 0.279 0.757 -12.213 205 2HG2 VAL 26 2HG2 VAL 26 -1.029 0.829 -11.034 206 3HG2 VAL 26 3HG2 VAL 26 -0.102 2.281 -11.411 207 H ARG 27 H ARG 27 2.849 3.098 -8.680 208 HA ARG 27 HA ARG 27 3.198 5.337 -8.508 209 1HB ARG 27 1HB ARG 27 4.589 4.870 -10.603 210 2HB ARG 27 2HB ARG 27 3.220 5.475 -11.520 211 1HG ARG 27 1HG ARG 27 3.422 7.633 -10.384 212 2HG ARG 27 2HG ARG 27 4.809 7.019 -9.481 213 1HD ARG 27 1HD ARG 27 4.576 7.518 -12.436 214 2HD ARG 27 2HD ARG 27 5.707 8.240 -11.291 215 HE ARG 27 HE ARG 27 5.792 5.384 -12.040 216 1HH1 ARG 27 1HH1 ARG 27 7.392 8.422 -11.361 217 2HH1 ARG 27 2HH1 ARG 27 8.988 7.794 -11.657 218 1HH2 ARG 27 1HH2 ARG 27 7.851 4.548 -12.415 219 2HH2 ARG 27 2HH2 ARG 27 9.253 5.576 -12.268 220 H ASP 28 H ASP 28 0.554 4.078 -8.903 221 HA ASP 28 HA ASP 28 -0.966 6.413 -9.859 222 1HB ASP 28 1HB ASP 28 -1.229 4.291 -11.189 223 2HB ASP 28 2HB ASP 28 -1.924 3.545 -9.756 224 H ASP 29 H ASP 29 -2.037 7.477 -8.348 225 HA ASP 29 HA ASP 29 -1.904 6.762 -5.626 226 1HB ASP 29 1HB ASP 29 -2.053 9.095 -6.471 227 2HB ASP 29 2HB ASP 29 -3.723 8.797 -6.935 228 H LYS 30 H LYS 30 -4.583 6.733 -7.933 229 HA LYS 30 HA LYS 30 -6.550 5.876 -6.090 230 1HB LYS 30 1HB LYS 30 -7.198 7.007 -8.110 231 2HB LYS 30 2HB LYS 30 -6.416 5.789 -9.106 232 1HG LYS 30 1HG LYS 30 -8.053 4.140 -8.425 233 2HG LYS 30 2HG LYS 30 -8.814 5.315 -7.348 234 1HD LYS 30 1HD LYS 30 -9.475 6.683 -9.192 235 2HD LYS 30 2HD LYS 30 -8.526 5.714 -10.322 236 1HE LYS 30 1HE LYS 30 -10.868 4.680 -8.731 237 2HE LYS 30 2HE LYS 30 -10.969 5.254 -10.394 238 1HZ LYS 30 1HZ LYS 30 -9.264 3.000 -9.483 239 2HZ LYS 30 2HZ LYS 30 -10.765 2.834 -10.246 240 3HZ LYS 30 3HZ LYS 30 -9.459 3.526 -11.081 241 H LYS 31 H LYS 31 -4.395 4.183 -8.304 242 HA LYS 31 HA LYS 31 -5.569 1.622 -8.024 243 1HB LYS 31 1HB LYS 31 -4.043 2.292 -9.864 244 2HB LYS 31 2HB LYS 31 -2.710 2.304 -8.718 245 1HG LYS 31 1HG LYS 31 -2.728 0.267 -10.042 246 2HG LYS 31 2HG LYS 31 -2.997 -0.080 -8.334 247 1HD LYS 31 1HD LYS 31 -4.489 -1.411 -9.715 248 2HD LYS 31 2HD LYS 31 -5.409 -0.249 -8.760 249 1HE LYS 31 1HE LYS 31 -5.613 1.212 -10.688 250 2HE LYS 31 2HE LYS 31 -4.613 0.119 -11.646 251 1HZ LYS 31 1HZ LYS 31 -7.223 -0.629 -10.436 252 2HZ LYS 31 2HZ LYS 31 -7.017 -0.139 -12.050 253 3HZ LYS 31 3HZ LYS 31 -6.286 -1.565 -11.496 254 H ALA 32 H ALA 32 -2.932 3.243 -6.300 255 HA ALA 32 HA ALA 32 -2.145 1.084 -4.687 256 1HB ALA 32 1HB ALA 32 -2.092 4.028 -4.019 257 2HB ALA 32 2HB ALA 32 -1.169 2.762 -3.209 258 3HB ALA 32 3HB ALA 32 -0.842 3.148 -4.899 259 H ILE 33 H ILE 33 -4.538 3.640 -4.135 260 HA ILE 33 HA ILE 33 -5.396 2.729 -1.599 261 HB ILE 33 HB ILE 33 -6.871 4.371 -3.664 262 1HG1 ILE 33 1HG1 ILE 33 -5.300 5.190 -1.211 263 2HG1 ILE 33 2HG1 ILE 33 -4.758 5.364 -2.877 264 1HG2 ILE 33 1HG2 ILE 33 -7.477 3.948 -0.741 265 2HG2 ILE 33 2HG2 ILE 33 -8.290 5.104 -1.796 266 3HG2 ILE 33 3HG2 ILE 33 -8.439 3.374 -2.103 267 1HD1 ILE 33 1HD1 ILE 33 -6.604 6.904 -3.305 268 2HD1 ILE 33 2HD1 ILE 33 -7.122 6.738 -1.627 269 3HD1 ILE 33 3HD1 ILE 33 -5.561 7.468 -1.999 270 H GLU 34 H GLU 34 -6.441 2.040 -4.885 271 HA GLU 34 HA GLU 34 -8.742 0.557 -4.342 272 1HB GLU 34 1HB GLU 34 -8.054 1.362 -6.576 273 2HB GLU 34 2HB GLU 34 -6.757 0.179 -6.590 274 1HG GLU 34 1HG GLU 34 -8.309 -1.629 -6.660 275 2HG GLU 34 2HG GLU 34 -9.669 -0.536 -6.399 276 H PHE 35 H PHE 35 -5.352 -0.452 -4.554 277 HA PHE 35 HA PHE 35 -5.845 -3.205 -4.072 278 1HB PHE 35 1HB PHE 35 -3.369 -1.514 -3.733 279 2HB PHE 35 2HB PHE 35 -3.393 -3.246 -3.424 280 HD1 PHE 35 HD1 PHE 35 -5.124 -4.172 -5.639 281 HD2 PHE 35 HD2 PHE 35 -1.980 -1.307 -5.576 282 HE1 PHE 35 HE1 PHE 35 -4.670 -4.625 -8.015 283 HE2 PHE 35 HE2 PHE 35 -1.525 -1.748 -7.951 284 HZ PHE 35 HZ PHE 35 -2.868 -3.412 -9.175 285 H ALA 36 H ALA 36 -5.184 -0.457 -1.970 286 HA ALA 36 HA ALA 36 -4.862 -1.889 0.430 287 1HB ALA 36 1HB ALA 36 -4.236 0.463 0.197 288 2HB ALA 36 2HB ALA 36 -5.937 0.903 0.041 289 3HB ALA 36 3HB ALA 36 -5.337 0.225 1.554 290 H LYS 37 H LYS 37 -7.731 -0.543 -1.148 291 HA LYS 37 HA LYS 37 -9.581 -1.121 0.878 292 1HB LYS 37 1HB LYS 37 -9.934 -0.874 -2.107 293 2HB LYS 37 2HB LYS 37 -11.279 -1.092 -0.995 294 1HG LYS 37 1HG LYS 37 -10.582 0.989 0.165 295 2HG LYS 37 2HG LYS 37 -9.363 1.224 -1.090 296 1HD LYS 37 1HD LYS 37 -11.078 1.341 -2.790 297 2HD LYS 37 2HD LYS 37 -12.326 0.967 -1.599 298 1HE LYS 37 1HE LYS 37 -11.733 3.048 -0.396 299 2HE LYS 37 2HE LYS 37 -10.592 3.431 -1.685 300 1HZ LYS 37 1HZ LYS 37 -13.514 3.045 -2.074 301 2HZ LYS 37 2HZ LYS 37 -12.750 4.553 -1.934 302 3HZ LYS 37 3HZ LYS 37 -12.396 3.541 -3.250 303 H GLN 38 H GLN 38 -8.658 -3.047 -1.982 304 HA GLN 38 HA GLN 38 -10.476 -5.145 -1.383 305 1HB GLN 38 1HB GLN 38 -9.316 -6.434 -3.108 306 2HB GLN 38 2HB GLN 38 -9.681 -4.807 -3.657 307 1HG GLN 38 1HG GLN 38 -7.390 -4.136 -3.323 308 2HG GLN 38 2HG GLN 38 -6.998 -5.714 -2.641 309 1HE2 GLN 38 2HE2 GLN 38 -6.818 -7.490 -3.998 310 2HE2 GLN 38 1HE2 GLN 38 -6.685 -7.327 -5.714 311 H TRP 39 H TRP 39 -7.320 -4.386 -0.221 312 HA TRP 39 HA TRP 39 -6.759 -7.029 0.754 313 1HB TRP 39 1HB TRP 39 -4.967 -5.364 0.253 314 2HB TRP 39 2HB TRP 39 -5.530 -4.398 1.612 315 HD1 TRP 39 HD1 TRP 39 -3.971 -7.870 0.915 316 HE1 TRP 39 HE1 TRP 39 -2.653 -8.597 3.009 317 HE3 TRP 39 HE3 TRP 39 -5.194 -3.999 4.023 318 HZ2 TRP 39 HZ2 TRP 39 -2.199 -7.649 5.620 319 HZ3 TRP 39 HZ3 TRP 39 -4.271 -3.985 6.304 320 HH2 TRP 39 HH2 TRP 39 -2.804 -5.773 7.084 321 H LEU 40 H LEU 40 -8.115 -4.046 2.063 322 HA LEU 40 HA LEU 40 -8.318 -4.939 4.741 323 1HB LEU 40 1HB LEU 40 -9.817 -2.797 3.243 324 2HB LEU 40 2HB LEU 40 -9.985 -3.078 4.967 325 HG LEU 40 HG LEU 40 -7.433 -2.275 3.564 326 1HD1 LEU 40 1HD1 LEU 40 -9.080 -0.483 3.621 327 2HD1 LEU 40 2HD1 LEU 40 -9.281 -0.713 5.359 328 3HD1 LEU 40 3HD1 LEU 40 -7.739 -0.148 4.716 329 1HD2 LEU 40 1HD2 LEU 40 -8.047 -2.637 6.495 330 2HD2 LEU 40 2HD2 LEU 40 -7.006 -3.669 5.516 331 3HD2 LEU 40 3HD2 LEU 40 -6.546 -1.996 5.829 332 H SER 41 H SER 41 -10.624 -4.949 2.034 333 HA SER 41 HA SER 41 -12.727 -6.123 3.553 334 1HB SER 41 1HB SER 41 -13.659 -6.647 1.229 335 2HB SER 41 2HB SER 41 -13.369 -4.946 1.594 336 HG SER 41 HG SER 41 -12.433 -5.200 -0.341 337 H SER 42 H SER 42 -9.933 -7.349 1.969 338 HA SER 42 HA SER 42 -10.767 -10.055 1.731 339 1HB SER 42 1HB SER 42 -8.926 -9.111 0.397 340 2HB SER 42 2HB SER 42 -7.982 -8.872 1.865 341 HG SER 42 HG SER 42 -7.274 -10.798 1.478 342 H ILE 43 H ILE 43 -9.152 -8.178 4.256 343 HA ILE 43 HA ILE 43 -8.829 -10.574 5.888 344 HB ILE 43 HB ILE 43 -7.697 -9.111 7.517 345 1HG1 ILE 43 1HG1 ILE 43 -8.106 -6.933 5.455 346 2HG1 ILE 43 2HG1 ILE 43 -8.942 -7.030 6.999 347 1HG2 ILE 43 1HG2 ILE 43 -6.409 -10.233 5.795 348 2HG2 ILE 43 2HG2 ILE 43 -6.677 -8.886 4.689 349 3HG2 ILE 43 3HG2 ILE 43 -5.713 -8.652 6.149 350 1HD1 ILE 43 1HD1 ILE 43 -7.123 -5.435 7.085 351 2HD1 ILE 43 2HD1 ILE 43 -6.811 -6.794 8.164 352 3HD1 ILE 43 3HD1 ILE 43 -5.979 -6.690 6.613 353 H GLY 44 H GLY 44 -11.020 -7.936 5.543 354 1HA GLY 44 1HA GLY 44 -13.245 -8.291 6.422 355 2HA GLY 44 2HA GLY 44 -12.516 -9.035 7.835 356 H GLU 45 H GLU 45 -10.626 -6.444 7.236 357 HA GLU 45 HA GLU 45 -12.007 -4.875 9.262 358 1HB GLU 45 1HB GLU 45 -9.223 -4.792 8.133 359 2HB GLU 45 2HB GLU 45 -9.855 -3.469 9.104 360 1HG GLU 45 1HG GLU 45 -9.619 -6.340 9.977 361 2HG GLU 45 2HG GLU 45 -8.542 -5.022 10.440 362 H GLU 46 H GLU 46 -13.607 -4.624 7.346 363 HA GLU 46 HA GLU 46 -12.883 -2.383 5.621 364 1HB GLU 46 1HB GLU 46 -14.155 -4.435 4.803 365 2HB GLU 46 2HB GLU 46 -15.525 -3.846 5.733 366 1HG GLU 46 1HG GLU 46 -15.523 -1.783 4.411 367 2HG GLU 46 2HG GLU 46 -14.171 -2.403 3.465 368 H GLY 47 H GLY 47 -12.867 -1.738 8.280 369 1HA GLY 47 1HA GLY 47 -15.408 -0.325 8.754 370 2HA GLY 47 2HA GLY 47 -14.212 -0.704 9.987 371 H ALA 48 H ALA 48 -13.490 0.616 6.824 372 HA ALA 48 HA ALA 48 -13.097 3.282 7.872 373 1HB ALA 48 1HB ALA 48 -10.741 1.683 6.875 374 2HB ALA 48 2HB ALA 48 -10.724 3.385 7.338 375 3HB ALA 48 3HB ALA 48 -11.036 2.146 8.552 376 H THR 49 H THR 49 -13.596 4.698 6.347 377 HA THR 49 HA THR 49 -13.835 3.910 3.582 378 HB THR 49 HB THR 49 -14.023 6.708 4.716 379 HG1 THR 49 HG1 THR 49 -15.487 5.283 5.799 380 1HG2 THR 49 1HG2 THR 49 -13.868 6.584 2.283 381 2HG2 THR 49 2HG2 THR 49 -15.206 5.436 2.245 382 3HG2 THR 49 3HG2 THR 49 -15.482 7.093 2.778 383 H VAL 50 H VAL 50 -11.905 3.539 2.617 384 HA VAL 50 HA VAL 50 -9.578 5.074 3.379 385 HB VAL 50 HB VAL 50 -9.790 2.941 1.250 386 1HG1 VAL 50 1HG1 VAL 50 -7.804 4.344 1.055 387 2HG1 VAL 50 2HG1 VAL 50 -7.411 4.040 2.747 388 3HG1 VAL 50 3HG1 VAL 50 -7.376 2.717 1.582 389 1HG2 VAL 50 1HG2 VAL 50 -10.521 2.070 3.403 390 2HG2 VAL 50 2HG2 VAL 50 -8.954 1.395 2.955 391 3HG2 VAL 50 3HG2 VAL 50 -9.049 2.679 4.161 392 H THR 51 H THR 51 -9.523 7.075 2.602 393 HA THR 51 HA THR 51 -9.747 7.406 -0.316 394 HB THR 51 HB THR 51 -10.115 9.835 0.180 395 HG1 THR 51 HG1 THR 51 -10.382 10.514 2.245 396 1HG2 THR 51 1HG2 THR 51 -12.108 7.940 1.432 397 2HG2 THR 51 2HG2 THR 51 -12.444 9.592 0.910 398 3HG2 THR 51 3HG2 THR 51 -12.015 8.361 -0.278 399 H SER 52 H SER 52 -8.348 9.632 -0.800 400 HA SER 52 HA SER 52 -5.648 8.879 -0.363 401 1HB SER 52 1HB SER 52 -6.751 11.514 -1.372 402 2HB SER 52 2HB SER 52 -5.080 10.968 -1.521 403 HG SER 52 HG SER 52 -5.628 9.620 -3.083 404 H GLU 53 H GLU 53 -7.864 10.531 1.581 405 HA GLU 53 HA GLU 53 -5.967 12.055 3.084 406 1HB GLU 53 1HB GLU 53 -8.777 11.172 3.771 407 2HB GLU 53 2HB GLU 53 -7.824 12.319 4.686 408 1HG GLU 53 1HG GLU 53 -9.168 13.710 3.463 409 2HG GLU 53 2HG GLU 53 -7.726 13.636 2.453 410 H GLU 54 H GLU 54 -7.310 8.836 3.173 411 HA GLU 54 HA GLU 54 -6.146 8.239 5.770 412 1HB GLU 54 1HB GLU 54 -7.509 6.353 3.839 413 2HB GLU 54 2HB GLU 54 -7.181 6.066 5.541 414 1HG GLU 54 1HG GLU 54 -9.058 8.151 4.451 415 2HG GLU 54 2HG GLU 54 -9.530 6.586 5.108 416 H CYS 55 H CYS 55 -5.835 7.166 2.406 417 HA CYS 55 HA CYS 55 -3.271 5.903 3.015 418 1HB CYS 55 1HB CYS 55 -4.969 4.703 1.618 419 2HB CYS 55 2HB CYS 55 -4.816 5.972 0.409 420 HG CYS 55 HG CYS 55 -2.687 3.457 1.167 421 H ARG 56 H ARG 56 -1.766 7.486 3.212 422 HA ARG 56 HA ARG 56 -1.802 9.632 1.205 423 1HB ARG 56 1HB ARG 56 -0.659 9.610 3.997 424 2HB ARG 56 2HB ARG 56 -0.466 10.935 2.858 425 1HG ARG 56 1HG ARG 56 -2.961 11.100 2.762 426 2HG ARG 56 2HG ARG 56 -3.022 9.933 4.085 427 1HD ARG 56 1HD ARG 56 -3.197 12.263 4.869 428 2HD ARG 56 2HD ARG 56 -1.780 11.436 5.516 429 HE ARG 56 HE ARG 56 -0.414 12.849 4.306 430 1HH1 ARG 56 1HH1 ARG 56 -3.755 13.365 3.378 431 2HH1 ARG 56 2HH1 ARG 56 -3.404 14.798 2.455 432 1HH2 ARG 56 1HH2 ARG 56 0.039 14.726 3.123 433 2HH2 ARG 56 2HH2 ARG 56 -1.250 15.570 2.310 434 H PHE 57 H PHE 57 -0.382 9.472 -0.332 435 HA PHE 57 HA PHE 57 1.891 7.852 -0.385 436 1HB PHE 57 1HB PHE 57 0.980 8.705 -2.439 437 2HB PHE 57 2HB PHE 57 1.212 10.370 -1.916 438 HD1 PHE 57 HD1 PHE 57 3.153 7.261 -2.587 439 HD2 PHE 57 HD2 PHE 57 3.072 11.515 -2.617 440 HE1 PHE 57 HE1 PHE 57 5.367 7.295 -3.655 441 HE2 PHE 57 HE2 PHE 57 5.284 11.555 -3.685 442 HZ PHE 57 HZ PHE 57 6.436 9.443 -4.204 443 H CYS 58 H CYS 58 3.762 8.004 0.641 444 HA CYS 58 HA CYS 58 4.389 10.520 1.997 445 1HB CYS 58 1HB CYS 58 5.578 7.771 2.400 446 2HB CYS 58 2HB CYS 58 5.868 9.188 3.405 447 HG CYS 58 HG CYS 58 2.630 8.404 3.104 448 H HIS 59 H HIS 59 6.112 7.979 0.152 449 HA HIS 59 HA HIS 59 7.694 9.908 -1.235 450 1HB HIS 59 1HB HIS 59 9.894 9.089 -0.291 451 2HB HIS 59 2HB HIS 59 8.947 10.116 0.770 452 HD1 HIS 59 HD1 HIS 59 8.624 9.261 3.077 453 HD2 HIS 59 HD2 HIS 59 9.550 6.211 0.401 454 HE1 HIS 59 HE1 HIS 59 8.849 7.176 4.470 455 HE2 HIS 59 HE2 HIS 59 9.271 5.320 2.819 456 H SER 60 H SER 60 9.382 8.920 -2.545 457 HA SER 60 HA SER 60 8.911 6.064 -3.134 458 1HB SER 60 1HB SER 60 9.722 8.201 -5.126 459 2HB SER 60 2HB SER 60 9.321 6.521 -5.480 460 HG SER 60 HG SER 60 7.691 8.664 -5.219 461 H GLU 61 H GLU 61 10.739 4.808 -3.108 462 HA GLU 61 HA GLU 61 13.339 5.977 -3.473 463 1HB GLU 61 1HB GLU 61 14.163 5.286 -1.206 464 2HB GLU 61 2HB GLU 61 13.073 6.662 -1.217 465 1HG GLU 61 1HG GLU 61 11.229 5.173 -0.552 466 2HG GLU 61 2HG GLU 61 12.375 3.832 -0.470 467 H LYS 62 H LYS 62 14.912 4.066 -2.270 468 HA LYS 62 HA LYS 62 14.755 2.010 -4.235 469 1HB LYS 62 1HB LYS 62 16.557 2.251 -1.818 470 2HB LYS 62 2HB LYS 62 16.794 1.151 -3.170 471 1HG LYS 62 1HG LYS 62 16.803 4.157 -3.355 472 2HG LYS 62 2HG LYS 62 18.236 3.127 -3.307 473 1HD LYS 62 1HD LYS 62 17.588 2.071 -5.384 474 2HD LYS 62 2HD LYS 62 16.081 2.989 -5.413 475 1HE LYS 62 1HE LYS 62 17.305 5.060 -5.652 476 2HE LYS 62 2HE LYS 62 18.839 4.203 -5.496 477 1HZ LYS 62 1HZ LYS 62 18.387 3.041 -7.541 478 2HZ LYS 62 2HZ LYS 62 16.870 3.784 -7.681 479 3HZ LYS 62 3HZ LYS 62 18.285 4.712 -7.812 480 H ALA 63 H ALA 63 14.606 -0.238 -3.900 481 HA ALA 63 HA ALA 63 13.229 -1.038 -1.422 482 1HB ALA 63 1HB ALA 63 12.434 -1.795 -4.228 483 2HB ALA 63 2HB ALA 63 11.688 -2.393 -2.746 484 3HB ALA 63 3HB ALA 63 11.567 -0.685 -3.166 485 HA PRO 64 HA PRO 64 16.069 -4.464 -1.388 486 1HB PRO 64 1HB PRO 64 14.525 -6.261 -0.017 487 2HB PRO 64 2HB PRO 64 15.411 -4.940 0.750 488 1HG PRO 64 1HG PRO 64 12.521 -5.096 -0.009 489 2HG PRO 64 2HG PRO 64 13.259 -4.439 1.465 490 1HD PRO 64 1HD PRO 64 12.408 -2.849 -0.535 491 2HD PRO 64 2HD PRO 64 13.840 -2.450 0.437 492 H ASP 65 H ASP 65 16.382 -6.518 -2.311 493 HA ASP 65 HA ASP 65 15.344 -6.933 -4.808 494 1HB ASP 65 1HB ASP 65 16.685 -8.801 -2.875 495 2HB ASP 65 2HB ASP 65 16.198 -9.335 -4.474 496 H GLU 66 H GLU 66 14.233 -8.381 -1.786 497 HA GLU 66 HA GLU 66 12.617 -10.386 -2.823 498 1HB GLU 66 1HB GLU 66 13.165 -10.347 -0.488 499 2HB GLU 66 2HB GLU 66 12.365 -8.796 -0.271 500 1HG GLU 66 1HG GLU 66 10.214 -9.794 -0.667 501 2HG GLU 66 2HG GLU 66 10.965 -11.343 -1.051 502 H VAL 67 H VAL 67 11.621 -7.099 -1.828 503 HA VAL 67 HA VAL 67 8.919 -7.528 -2.591 504 HB VAL 67 HB VAL 67 8.549 -5.163 -2.201 505 1HG1 VAL 67 1HG1 VAL 67 8.650 -6.625 -0.267 506 2HG1 VAL 67 2HG1 VAL 67 10.393 -6.376 -0.148 507 3HG1 VAL 67 3HG1 VAL 67 9.290 -5.029 0.130 508 1HG2 VAL 67 1HG2 VAL 67 11.545 -4.933 -1.947 509 2HG2 VAL 67 2HG2 VAL 67 10.550 -4.251 -3.234 510 3HG2 VAL 67 3HG2 VAL 67 10.381 -3.659 -1.581 511 H ILE 68 H ILE 68 11.740 -6.453 -4.291 512 HA ILE 68 HA ILE 68 10.669 -4.995 -6.387 513 HB ILE 68 HB ILE 68 12.953 -6.971 -6.481 514 1HG1 ILE 68 1HG1 ILE 68 13.327 -5.192 -4.865 515 2HG1 ILE 68 2HG1 ILE 68 14.371 -4.960 -6.262 516 1HG2 ILE 68 1HG2 ILE 68 12.134 -6.531 -8.720 517 2HG2 ILE 68 2HG2 ILE 68 12.224 -4.794 -8.433 518 3HG2 ILE 68 3HG2 ILE 68 13.700 -5.759 -8.476 519 1HD1 ILE 68 1HD1 ILE 68 12.838 -3.258 -7.113 520 2HD1 ILE 68 2HD1 ILE 68 11.814 -3.483 -5.694 521 3HD1 ILE 68 3HD1 ILE 68 13.452 -2.856 -5.509 522 H GLU 69 H GLU 69 11.285 -8.505 -6.328 523 HA GLU 69 HA GLU 69 10.050 -8.952 -8.840 524 1HB GLU 69 1HB GLU 69 11.773 -10.433 -7.704 525 2HB GLU 69 2HB GLU 69 10.466 -11.022 -6.684 526 1HG GLU 69 1HG GLU 69 9.259 -11.740 -8.713 527 2HG GLU 69 2HG GLU 69 10.647 -11.240 -9.679 528 H ALA 70 H ALA 70 8.929 -9.101 -5.510 529 HA ALA 70 HA ALA 70 6.493 -10.425 -6.021 530 1HB ALA 70 1HB ALA 70 7.481 -10.249 -3.782 531 2HB ALA 70 2HB ALA 70 7.114 -8.523 -3.767 532 3HB ALA 70 3HB ALA 70 5.803 -9.704 -3.821 533 H ILE 71 H ILE 71 7.238 -6.942 -5.726 534 HA ILE 71 HA ILE 71 4.562 -6.090 -6.036 535 HB ILE 71 HB ILE 71 7.109 -4.574 -6.627 536 1HG1 ILE 71 1HG1 ILE 71 5.323 -4.517 -4.185 537 2HG1 ILE 71 2HG1 ILE 71 6.841 -5.405 -4.286 538 1HG2 ILE 71 1HG2 ILE 71 5.737 -2.554 -6.410 539 2HG2 ILE 71 2HG2 ILE 71 5.199 -3.562 -7.753 540 3HG2 ILE 71 3HG2 ILE 71 4.295 -3.556 -6.239 541 1HD1 ILE 71 1HD1 ILE 71 7.135 -3.305 -3.122 542 2HD1 ILE 71 2HD1 ILE 71 8.035 -3.304 -4.638 543 3HD1 ILE 71 3HD1 ILE 71 6.513 -2.424 -4.517 544 H LYS 72 H LYS 72 7.135 -6.698 -8.386 545 HA LYS 72 HA LYS 72 5.721 -5.604 -10.601 546 1HB LYS 72 1HB LYS 72 7.982 -7.604 -10.519 547 2HB LYS 72 2HB LYS 72 7.389 -6.821 -11.979 548 1HG LYS 72 1HG LYS 72 7.934 -4.633 -10.934 549 2HG LYS 72 2HG LYS 72 8.696 -5.511 -9.611 550 1HD LYS 72 1HD LYS 72 9.479 -5.709 -12.519 551 2HD LYS 72 2HD LYS 72 10.329 -4.765 -11.295 552 1HE LYS 72 1HE LYS 72 10.778 -6.819 -10.033 553 2HE LYS 72 2HE LYS 72 9.938 -7.757 -11.267 554 1HZ LYS 72 1HZ LYS 72 12.414 -6.156 -11.669 555 2HZ LYS 72 2HZ LYS 72 12.315 -7.848 -11.592 556 3HZ LYS 72 3HZ LYS 72 11.593 -7.014 -12.884 557 H GLN 73 H GLN 73 5.426 -8.522 -8.887 558 HA GLN 73 HA GLN 73 4.023 -9.832 -11.104 559 1HB GLN 73 1HB GLN 73 5.804 -10.953 -9.536 560 2HB GLN 73 2HB GLN 73 4.456 -11.099 -8.420 561 1HG GLN 73 1HG GLN 73 4.429 -12.172 -11.230 562 2HG GLN 73 2HG GLN 73 4.902 -13.114 -9.819 563 1HE2 GLN 73 2HE2 GLN 73 2.715 -13.475 -11.735 564 2HE2 GLN 73 1HE2 GLN 73 1.266 -13.530 -10.786 565 H ASN 74 H ASN 74 3.546 -8.914 -7.703 566 HA ASN 74 HA ASN 74 0.782 -9.752 -7.732 567 1HB ASN 74 1HB ASN 74 2.250 -8.162 -5.613 568 2HB ASN 74 2HB ASN 74 0.715 -8.992 -5.417 569 1HD2 ASN 74 2HD2 ASN 74 1.731 -11.321 -6.981 570 2HD2 ASN 74 1HD2 ASN 74 2.758 -12.175 -5.886 571 H GLY 75 H GLY 75 2.553 -6.820 -8.240 572 1HA GLY 75 1HA GLY 75 1.605 -4.890 -9.244 573 2HA GLY 75 2HA GLY 75 0.031 -5.370 -8.620 574 H TYR 76 H TYR 76 1.427 -5.981 -5.998 575 HA TYR 76 HA TYR 76 2.281 -3.464 -4.954 576 1HB TYR 76 1HB TYR 76 0.388 -3.046 -3.480 577 2HB TYR 76 2HB TYR 76 -0.164 -3.064 -5.151 578 HD1 TYR 76 HD1 TYR 76 -1.166 -5.327 -6.000 579 HD2 TYR 76 HD2 TYR 76 -0.721 -4.322 -1.890 580 HE1 TYR 76 HE1 TYR 76 -2.876 -6.993 -5.414 581 HE2 TYR 76 HE2 TYR 76 -2.428 -5.988 -1.293 582 HH TYR 76 HH TYR 76 -3.534 -8.345 -3.456 583 H PHE 77 H PHE 77 2.960 -3.631 -2.765 584 HA PHE 77 HA PHE 77 2.805 -6.333 -1.602 585 1HB PHE 77 1HB PHE 77 5.086 -5.860 -2.510 586 2HB PHE 77 2HB PHE 77 5.192 -4.477 -1.425 587 HD1 PHE 77 HD1 PHE 77 5.005 -8.151 -1.585 588 HD2 PHE 77 HD2 PHE 77 5.725 -4.753 0.871 589 HE1 PHE 77 HE1 PHE 77 5.894 -9.619 0.178 590 HE2 PHE 77 HE2 PHE 77 6.615 -6.213 2.640 591 HZ PHE 77 HZ PHE 77 6.701 -8.651 2.293 592 H ILE 78 H ILE 78 1.970 -6.361 0.396 593 HA ILE 78 HA ILE 78 1.621 -3.772 1.747 594 HB ILE 78 HB ILE 78 0.047 -6.331 2.097 595 1HG1 ILE 78 1HG1 ILE 78 -0.424 -5.227 -0.039 596 2HG1 ILE 78 2HG1 ILE 78 -1.800 -5.094 1.050 597 1HG2 ILE 78 1HG2 ILE 78 -1.451 -4.992 3.500 598 2HG2 ILE 78 2HG2 ILE 78 0.178 -5.070 4.171 599 3HG2 ILE 78 3HG2 ILE 78 -0.362 -3.612 3.339 600 1HD1 ILE 78 1HD1 ILE 78 0.221 -2.938 0.486 601 2HD1 ILE 78 2HD1 ILE 78 -1.420 -3.023 -0.155 602 3HD1 ILE 78 3HD1 ILE 78 -1.159 -2.800 1.576 603 H TYR 79 H TYR 79 3.103 -3.462 3.289 604 HA TYR 79 HA TYR 79 3.744 -5.746 5.032 605 1HB TYR 79 1HB TYR 79 5.742 -4.763 4.026 606 2HB TYR 79 2HB TYR 79 5.279 -3.168 4.615 607 HD1 TYR 79 HD1 TYR 79 5.925 -2.454 6.760 608 HD2 TYR 79 HD2 TYR 79 6.237 -6.575 5.751 609 HE1 TYR 79 HE1 TYR 79 7.117 -2.874 8.868 610 HE2 TYR 79 HE2 TYR 79 7.433 -7.006 7.857 611 HH TYR 79 HH TYR 79 7.534 -4.773 10.397 612 H LYS 80 H LYS 80 2.837 -5.763 6.968 613 HA LYS 80 HA LYS 80 1.271 -3.535 7.881 614 1HB LYS 80 1HB LYS 80 2.028 -5.970 9.492 615 2HB LYS 80 2HB LYS 80 0.632 -4.926 9.709 616 1HG LYS 80 1HG LYS 80 -0.281 -5.720 7.578 617 2HG LYS 80 2HG LYS 80 1.111 -6.791 7.397 618 1HD LYS 80 1HD LYS 80 0.453 -7.751 9.666 619 2HD LYS 80 2HD LYS 80 -1.076 -6.897 9.456 620 1HE LYS 80 1HE LYS 80 -1.352 -9.156 8.700 621 2HE LYS 80 2HE LYS 80 -1.376 -8.085 7.298 622 1HZ LYS 80 1HZ LYS 80 -0.008 -10.152 7.050 623 2HZ LYS 80 2HZ LYS 80 0.820 -8.711 6.723 624 3HZ LYS 80 3HZ LYS 80 1.064 -9.516 8.198 625 H MET 81 H MET 81 2.365 -1.774 8.599 626 HA MET 81 HA MET 81 4.882 -1.989 9.947 627 1HB MET 81 1HB MET 81 4.116 -0.019 8.536 628 2HB MET 81 2HB MET 81 3.080 0.434 9.882 629 1HG MET 81 1HG MET 81 5.135 0.493 11.316 630 2HG MET 81 2HG MET 81 6.079 0.293 9.842 631 1HE MET 81 1HE MET 81 5.742 2.050 7.716 632 2HE MET 81 2HE MET 81 4.824 3.549 7.873 633 3HE MET 81 3HE MET 81 3.990 1.997 7.911 634 H GLU 82 H GLU 82 2.029 -0.258 11.149 635 HA GLU 82 HA GLU 82 2.185 -1.839 13.625 636 1HB GLU 82 1HB GLU 82 1.426 1.053 13.230 637 2HB GLU 82 2HB GLU 82 0.926 0.156 14.655 638 1HG GLU 82 1HG GLU 82 2.828 1.273 15.349 639 2HG GLU 82 2HG GLU 82 3.418 -0.345 14.978 640 H GLY 83 H GLY 83 0.728 -3.411 13.164 641 1HA GLY 83 1HA GLY 83 -2.037 -2.813 13.215 642 2HA GLY 83 2HA GLY 83 -1.538 -3.148 11.563 643 H CYS 84 H CYS 84 -0.822 -4.504 14.751 644 HA CYS 84 HA CYS 84 -2.110 -6.965 14.325 645 1HB CYS 84 1HB CYS 84 -0.007 -8.385 14.219 646 2HB CYS 84 2HB CYS 84 -0.417 -7.527 12.737 647 HG CYS 84 HG CYS 84 2.419 -7.593 14.205 648 H ASN 85 H ASN 85 0.799 -5.572 15.769 649 HA ASN 85 HA ASN 85 -0.383 -5.952 18.413 650 1HB ASN 85 1HB ASN 85 2.426 -6.789 17.644 651 2HB ASN 85 2HB ASN 85 1.901 -6.567 19.309 652 1HD2 ASN 85 2HD2 ASN 85 0.348 -7.987 20.175 653 2HD2 ASN 85 1HD2 ASN 85 0.075 -9.552 19.481 Start of MODEL 17 1 H MET 1 H MET 1 14.286 -0.744 -10.201 2 HA MET 1 HA MET 1 12.404 0.696 -10.344 3 1HB MET 1 1HB MET 1 12.102 -1.778 -9.979 4 2HB MET 1 2HB MET 1 11.877 -1.440 -8.270 5 1HG MET 1 1HG MET 1 9.935 -0.035 -8.832 6 2HG MET 1 2HG MET 1 10.139 -0.473 -10.527 7 1HE MET 1 1HE MET 1 10.414 -2.559 -7.166 8 2HE MET 1 2HE MET 1 8.821 -3.319 -7.150 9 3HE MET 1 3HE MET 1 8.964 -1.569 -7.000 10 H GLN 2 H GLN 2 11.013 2.178 -9.436 11 HA GLN 2 HA GLN 2 11.752 3.154 -6.774 12 1HB GLN 2 1HB GLN 2 9.995 4.365 -8.918 13 2HB GLN 2 2HB GLN 2 10.386 5.130 -7.385 14 1HG GLN 2 1HG GLN 2 12.738 5.193 -8.004 15 2HG GLN 2 2HG GLN 2 12.361 4.399 -9.533 16 1HE2 GLN 2 2HE2 GLN 2 13.554 7.015 -8.980 17 2HE2 GLN 2 1HE2 GLN 2 12.550 8.178 -9.785 18 H ILE 3 H ILE 3 10.542 2.696 -5.050 19 HA ILE 3 HA ILE 3 7.880 1.572 -5.481 20 HB ILE 3 HB ILE 3 7.998 1.316 -2.896 21 1HG1 ILE 3 1HG1 ILE 3 10.925 1.606 -3.615 22 2HG1 ILE 3 2HG1 ILE 3 10.009 2.643 -2.526 23 1HG2 ILE 3 1HG2 ILE 3 9.558 -0.338 -4.856 24 2HG2 ILE 3 2HG2 ILE 3 9.184 -0.855 -3.212 25 3HG2 ILE 3 3HG2 ILE 3 7.881 -0.546 -4.359 26 1HD1 ILE 3 1HD1 ILE 3 11.410 1.114 -1.284 27 2HD1 ILE 3 2HD1 ILE 3 9.708 0.746 -1.004 28 3HD1 ILE 3 3HD1 ILE 3 10.661 -0.262 -2.095 29 H HIS 4 H HIS 4 6.141 2.688 -5.291 30 HA HIS 4 HA HIS 4 6.187 5.382 -4.234 31 1HB HIS 4 1HB HIS 4 3.872 3.732 -5.304 32 2HB HIS 4 2HB HIS 4 3.834 5.457 -4.962 33 HD1 HIS 4 HD1 HIS 4 3.709 6.615 -7.149 34 HD2 HIS 4 HD2 HIS 4 6.372 3.416 -7.245 35 HE1 HIS 4 HE1 HIS 4 4.751 6.659 -9.440 36 HE2 HIS 4 HE2 HIS 4 6.214 4.609 -9.529 37 H VAL 5 H VAL 5 6.183 5.575 -2.083 38 HA VAL 5 HA VAL 5 5.140 3.438 -0.428 39 HB VAL 5 HB VAL 5 6.405 6.042 0.441 40 1HG1 VAL 5 1HG1 VAL 5 6.854 4.855 2.531 41 2HG1 VAL 5 2HG1 VAL 5 5.125 4.935 2.193 42 3HG1 VAL 5 3HG1 VAL 5 6.010 3.436 1.909 43 1HG2 VAL 5 1HG2 VAL 5 7.699 3.356 -0.025 44 2HG2 VAL 5 2HG2 VAL 5 7.932 4.808 -1.001 45 3HG2 VAL 5 3HG2 VAL 5 8.486 4.771 0.673 46 H TYR 6 H TYR 6 2.992 3.417 -0.216 47 HA TYR 6 HA TYR 6 1.634 5.932 0.471 48 1HB TYR 6 1HB TYR 6 0.622 3.312 -0.614 49 2HB TYR 6 2HB TYR 6 -0.467 4.483 0.122 50 HD1 TYR 6 HD1 TYR 6 1.946 3.997 -2.650 51 HD2 TYR 6 HD2 TYR 6 -1.225 6.361 -1.086 52 HE1 TYR 6 HE1 TYR 6 1.790 5.196 -4.792 53 HE2 TYR 6 HE2 TYR 6 -1.390 7.565 -3.223 54 HH TYR 6 HH TYR 6 -0.247 8.018 -5.172 55 H ASP 7 H ASP 7 1.965 6.200 2.586 56 HA ASP 7 HA ASP 7 1.893 4.098 4.524 57 1HB ASP 7 1HB ASP 7 3.227 6.114 4.879 58 2HB ASP 7 2HB ASP 7 1.781 7.111 4.806 59 H THR 8 H THR 8 0.044 3.072 4.991 60 HA THR 8 HA THR 8 -2.462 4.591 4.716 61 HB THR 8 HB THR 8 -2.128 1.600 4.462 62 HG1 THR 8 HG1 THR 8 -0.993 2.944 2.829 63 1HG2 THR 8 1HG2 THR 8 -4.394 2.350 4.995 64 2HG2 THR 8 2HG2 THR 8 -4.352 3.472 3.634 65 3HG2 THR 8 3HG2 THR 8 -4.310 1.732 3.346 66 H TYR 9 H TYR 9 -2.979 5.227 6.733 67 HA TYR 9 HA TYR 9 -2.855 3.269 8.907 68 1HB TYR 9 1HB TYR 9 -3.157 6.256 8.837 69 2HB TYR 9 2HB TYR 9 -3.620 5.347 10.270 70 HD1 TYR 9 HD1 TYR 9 -1.869 6.866 11.341 71 HD2 TYR 9 HD2 TYR 9 -0.892 3.857 8.499 72 HE1 TYR 9 HE1 TYR 9 0.454 6.882 12.134 73 HE2 TYR 9 HE2 TYR 9 1.439 3.871 9.280 74 HH TYR 9 HH TYR 9 2.982 5.448 10.435 75 H VAL 10 H VAL 10 -4.554 1.941 8.490 76 HA VAL 10 HA VAL 10 -7.174 3.076 7.938 77 HB VAL 10 HB VAL 10 -6.320 0.188 8.218 78 1HG1 VAL 10 1HG1 VAL 10 -8.939 1.350 7.272 79 2HG1 VAL 10 2HG1 VAL 10 -8.492 -0.356 7.212 80 3HG1 VAL 10 3HG1 VAL 10 -8.674 0.456 8.768 81 1HG2 VAL 10 1HG2 VAL 10 -6.921 1.843 5.771 82 2HG2 VAL 10 2HG2 VAL 10 -5.329 1.285 6.285 83 3HG2 VAL 10 3HG2 VAL 10 -6.552 0.118 5.782 84 H LYS 11 H LYS 11 -8.191 3.904 9.641 85 HA LYS 11 HA LYS 11 -7.827 2.850 12.289 86 1HB LYS 11 1HB LYS 11 -9.740 4.946 11.250 87 2HB LYS 11 2HB LYS 11 -9.492 4.561 12.948 88 1HG LYS 11 1HG LYS 11 -7.147 5.247 12.746 89 2HG LYS 11 2HG LYS 11 -7.431 5.671 11.056 90 1HD LYS 11 1HD LYS 11 -9.133 7.295 11.770 91 2HD LYS 11 2HD LYS 11 -8.791 6.895 13.454 92 1HE LYS 11 1HE LYS 11 -6.483 7.649 13.162 93 2HE LYS 11 2HE LYS 11 -6.826 8.043 11.478 94 1HZ LYS 11 1HZ LYS 11 -8.384 9.712 12.181 95 2HZ LYS 11 2HZ LYS 11 -8.185 9.273 13.811 96 3HZ LYS 11 3HZ LYS 11 -6.901 9.980 12.961 97 H ALA 12 H ALA 12 -8.564 0.780 12.351 98 HA ALA 12 HA ALA 12 -11.033 -0.116 11.336 99 1HB ALA 12 1HB ALA 12 -10.685 -2.095 12.709 100 2HB ALA 12 2HB ALA 12 -9.188 -1.632 11.902 101 3HB ALA 12 3HB ALA 12 -9.417 -1.265 13.612 102 H LYS 13 H LYS 13 -12.922 -0.772 12.563 103 HA LYS 13 HA LYS 13 -13.848 1.444 14.094 104 1HB LYS 13 1HB LYS 13 -15.251 -1.206 13.789 105 2HB LYS 13 2HB LYS 13 -15.971 0.365 14.105 106 1HG LYS 13 1HG LYS 13 -15.149 1.079 11.842 107 2HG LYS 13 2HG LYS 13 -14.728 -0.612 11.552 108 1HD LYS 13 1HD LYS 13 -17.152 -1.126 12.202 109 2HD LYS 13 2HD LYS 13 -17.438 0.603 11.986 110 1HE LYS 13 1HE LYS 13 -18.001 -0.467 9.939 111 2HE LYS 13 2HE LYS 13 -16.476 0.380 9.685 112 1HZ LYS 13 1HZ LYS 13 -15.283 -1.668 9.872 113 2HZ LYS 13 2HZ LYS 13 -16.684 -2.507 10.328 114 3HZ LYS 13 3HZ LYS 13 -16.541 -1.898 8.757 115 H ASP 14 H ASP 14 -13.377 -1.997 14.874 116 HA ASP 14 HA ASP 14 -13.304 -1.212 17.711 117 1HB ASP 14 1HB ASP 14 -14.621 -3.599 16.441 118 2HB ASP 14 2HB ASP 14 -14.196 -3.574 18.151 119 H GLY 15 H GLY 15 -11.539 -2.440 15.206 120 1HA GLY 15 1HA GLY 15 -9.855 -4.180 16.794 121 2HA GLY 15 2HA GLY 15 -9.552 -3.652 15.142 122 H HIS 16 H HIS 16 -8.158 -2.034 14.789 123 HA HIS 16 HA HIS 16 -7.685 0.053 16.657 124 1HB HIS 16 1HB HIS 16 -5.244 -0.420 17.005 125 2HB HIS 16 2HB HIS 16 -6.316 -1.532 17.842 126 HD1 HIS 16 HD1 HIS 16 -5.587 -3.876 17.694 127 HD2 HIS 16 HD2 HIS 16 -4.364 -1.679 14.372 128 HE1 HIS 16 HE1 HIS 16 -4.266 -5.471 16.268 129 HE2 HIS 16 HE2 HIS 16 -3.400 -4.084 14.350 130 H VAL 17 H VAL 17 -5.888 1.511 15.842 131 HA VAL 17 HA VAL 17 -6.183 2.042 13.100 132 HB VAL 17 HB VAL 17 -3.891 2.905 14.881 133 1HG1 VAL 17 1HG1 VAL 17 -4.962 4.088 12.321 134 2HG1 VAL 17 2HG1 VAL 17 -3.689 4.787 13.323 135 3HG1 VAL 17 3HG1 VAL 17 -3.427 3.241 12.516 136 1HG2 VAL 17 1HG2 VAL 17 -5.194 4.948 15.260 137 2HG2 VAL 17 2HG2 VAL 17 -6.535 4.257 14.346 138 3HG2 VAL 17 3HG2 VAL 17 -6.030 3.518 15.867 139 H MET 18 H MET 18 -5.589 0.668 11.566 140 HA MET 18 HA MET 18 -3.515 -1.260 11.917 141 1HB MET 18 1HB MET 18 -5.087 -0.449 9.466 142 2HB MET 18 2HB MET 18 -3.965 -1.801 9.516 143 1HG MET 18 1HG MET 18 -6.443 -1.518 11.205 144 2HG MET 18 2HG MET 18 -6.290 -2.513 9.757 145 1HE MET 18 1HE MET 18 -3.422 -3.747 9.995 146 2HE MET 18 2HE MET 18 -4.846 -4.707 9.597 147 3HE MET 18 3HE MET 18 -3.744 -5.249 10.863 148 H HIS 19 H HIS 19 -1.482 -0.714 11.947 149 HA HIS 19 HA HIS 19 -0.495 1.531 10.385 150 1HB HIS 19 1HB HIS 19 0.836 -0.242 12.444 151 2HB HIS 19 2HB HIS 19 1.646 1.078 11.612 152 HD1 HIS 19 HD1 HIS 19 -0.236 0.341 14.615 153 HD2 HIS 19 HD2 HIS 19 0.362 3.672 12.194 154 HE1 HIS 19 HE1 HIS 19 -0.898 2.323 16.009 155 HE2 HIS 19 HE2 HIS 19 -0.320 4.333 14.597 156 H PHE 20 H PHE 20 -0.259 0.941 8.271 157 HA PHE 20 HA PHE 20 1.956 -0.798 7.689 158 1HB PHE 20 1HB PHE 20 0.790 -2.322 6.210 159 2HB PHE 20 2HB PHE 20 0.053 -2.404 7.802 160 HD1 PHE 20 HD1 PHE 20 -2.156 -1.313 8.189 161 HD2 PHE 20 HD2 PHE 20 -0.444 -1.670 4.308 162 HE1 PHE 20 HE1 PHE 20 -4.364 -0.914 7.180 163 HE2 PHE 20 HE2 PHE 20 -2.648 -1.269 3.294 164 HZ PHE 20 HZ PHE 20 -4.612 -0.891 4.731 165 H ASP 21 H ASP 21 2.678 -0.575 5.472 166 HA ASP 21 HA ASP 21 1.358 1.613 4.031 167 1HB ASP 21 1HB ASP 21 3.666 2.321 3.227 168 2HB ASP 21 2HB ASP 21 3.252 2.716 4.888 169 H VAL 22 H VAL 22 1.640 1.619 1.767 170 HA VAL 22 HA VAL 22 1.945 -1.118 0.737 171 HB VAL 22 HB VAL 22 0.412 1.171 -0.512 172 1HG1 VAL 22 1HG1 VAL 22 0.437 -1.781 -1.136 173 2HG1 VAL 22 2HG1 VAL 22 -0.598 -0.575 -1.902 174 3HG1 VAL 22 3HG1 VAL 22 1.152 -0.501 -2.116 175 1HG2 VAL 22 1HG2 VAL 22 -0.645 -1.153 1.098 176 2HG2 VAL 22 2HG2 VAL 22 -0.587 0.530 1.627 177 3HG2 VAL 22 3HG2 VAL 22 -1.616 0.067 0.273 178 H PHE 23 H PHE 23 3.817 -1.426 -0.272 179 HA PHE 23 HA PHE 23 5.074 0.750 -1.759 180 1HB PHE 23 1HB PHE 23 5.950 -2.110 -1.284 181 2HB PHE 23 2HB PHE 23 6.878 -0.920 -2.188 182 HD1 PHE 23 HD1 PHE 23 6.600 -2.493 0.863 183 HD2 PHE 23 HD2 PHE 23 7.199 1.375 -0.805 184 HE1 PHE 23 HE1 PHE 23 7.697 -1.769 2.942 185 HE2 PHE 23 HE2 PHE 23 8.299 2.105 1.270 186 HZ PHE 23 HZ PHE 23 8.551 0.532 3.145 187 H THR 24 H THR 24 4.327 1.107 -3.779 188 HA THR 24 HA THR 24 3.847 -1.280 -5.433 189 HB THR 24 HB THR 24 1.660 -0.408 -4.794 190 HG1 THR 24 HG1 THR 24 1.475 -1.203 -6.794 191 1HG2 THR 24 1HG2 THR 24 2.255 1.920 -4.374 192 2HG2 THR 24 2HG2 THR 24 2.558 2.171 -6.093 193 3HG2 THR 24 3HG2 THR 24 0.924 1.820 -5.527 194 H ASP 25 H ASP 25 4.287 -1.100 -7.621 195 HA ASP 25 HA ASP 25 6.152 0.986 -8.396 196 1HB ASP 25 1HB ASP 25 6.738 -1.257 -9.036 197 2HB ASP 25 2HB ASP 25 5.156 -1.529 -9.753 198 H VAL 26 H VAL 26 2.846 0.251 -8.642 199 HA VAL 26 HA VAL 26 2.166 1.485 -11.083 200 HB VAL 26 HB VAL 26 0.499 1.104 -8.585 201 1HG1 VAL 26 1HG1 VAL 26 -0.369 1.671 -11.414 202 2HG1 VAL 26 2HG1 VAL 26 -1.442 1.286 -10.067 203 3HG1 VAL 26 3HG1 VAL 26 -0.496 2.775 -10.045 204 1HG2 VAL 26 1HG2 VAL 26 -0.367 -0.882 -9.761 205 2HG2 VAL 26 2HG2 VAL 26 0.802 -0.605 -11.053 206 3HG2 VAL 26 3HG2 VAL 26 1.361 -0.997 -9.426 207 H ARG 27 H ARG 27 1.474 3.570 -11.548 208 HA ARG 27 HA ARG 27 2.473 5.571 -9.641 209 1HB ARG 27 1HB ARG 27 1.913 5.957 -12.586 210 2HB ARG 27 2HB ARG 27 2.777 7.053 -11.523 211 1HG ARG 27 1HG ARG 27 4.495 6.074 -12.688 212 2HG ARG 27 2HG ARG 27 4.425 5.054 -11.249 213 1HD ARG 27 1HD ARG 27 3.125 3.398 -12.452 214 2HD ARG 27 2HD ARG 27 3.087 4.431 -13.880 215 HE ARG 27 HE ARG 27 5.684 4.152 -13.611 216 1HH1 ARG 27 1HH1 ARG 27 3.189 1.737 -13.231 217 2HH1 ARG 27 2HH1 ARG 27 4.199 0.418 -13.734 218 1HH2 ARG 27 1HH2 ARG 27 7.013 2.439 -14.315 219 2HH2 ARG 27 2HH2 ARG 27 6.379 0.818 -14.353 220 H ASP 28 H ASP 28 -0.185 4.296 -9.621 221 HA ASP 28 HA ASP 28 -1.842 6.675 -10.115 222 1HB ASP 28 1HB ASP 28 -2.291 4.713 -11.638 223 2HB ASP 28 2HB ASP 28 -2.813 3.817 -10.217 224 H ASP 29 H ASP 29 -2.668 7.543 -8.373 225 HA ASP 29 HA ASP 29 -2.203 6.494 -5.792 226 1HB ASP 29 1HB ASP 29 -4.055 8.738 -6.629 227 2HB ASP 29 2HB ASP 29 -3.494 8.429 -4.991 228 H LYS 30 H LYS 30 -4.998 6.486 -7.909 229 HA LYS 30 HA LYS 30 -6.856 5.608 -5.929 230 1HB LYS 30 1HB LYS 30 -7.527 6.780 -8.018 231 2HB LYS 30 2HB LYS 30 -7.036 5.367 -8.939 232 1HG LYS 30 1HG LYS 30 -9.412 5.328 -8.681 233 2HG LYS 30 2HG LYS 30 -8.719 4.032 -7.705 234 1HD LYS 30 1HD LYS 30 -10.438 5.127 -6.428 235 2HD LYS 30 2HD LYS 30 -8.871 5.518 -5.719 236 1HE LYS 30 1HE LYS 30 -10.266 7.500 -5.802 237 2HE LYS 30 2HE LYS 30 -8.895 7.678 -6.898 238 1HZ LYS 30 1HZ LYS 30 -11.610 6.826 -7.752 239 2HZ LYS 30 2HZ LYS 30 -11.040 8.419 -7.841 240 3HZ LYS 30 3HZ LYS 30 -10.295 7.203 -8.757 241 H LYS 31 H LYS 31 -4.813 4.038 -8.331 242 HA LYS 31 HA LYS 31 -5.753 1.412 -7.893 243 1HB LYS 31 1HB LYS 31 -3.225 2.537 -9.042 244 2HB LYS 31 2HB LYS 31 -3.379 0.808 -8.761 245 1HG LYS 31 1HG LYS 31 -5.198 2.487 -10.477 246 2HG LYS 31 2HG LYS 31 -3.955 1.371 -11.052 247 1HD LYS 31 1HD LYS 31 -5.128 -0.486 -9.975 248 2HD LYS 31 2HD LYS 31 -6.369 0.627 -9.400 249 1HE LYS 31 1HE LYS 31 -6.920 1.170 -11.741 250 2HE LYS 31 2HE LYS 31 -5.726 -0.014 -12.275 251 1HZ LYS 31 1HZ LYS 31 -7.888 -1.014 -12.300 252 2HZ LYS 31 2HZ LYS 31 -6.988 -1.715 -11.048 253 3HZ LYS 31 3HZ LYS 31 -8.175 -0.566 -10.685 254 H ALA 32 H ALA 32 -3.219 3.312 -6.330 255 HA ALA 32 HA ALA 32 -2.187 1.301 -4.676 256 1HB ALA 32 1HB ALA 32 -1.436 3.113 -3.217 257 2HB ALA 32 2HB ALA 32 -1.137 3.497 -4.912 258 3HB ALA 32 3HB ALA 32 -2.491 4.243 -4.065 259 H ILE 33 H ILE 33 -4.867 3.557 -4.181 260 HA ILE 33 HA ILE 33 -5.752 2.629 -1.689 261 HB ILE 33 HB ILE 33 -7.239 3.902 -3.986 262 1HG1 ILE 33 1HG1 ILE 33 -6.348 4.996 -1.314 263 2HG1 ILE 33 2HG1 ILE 33 -5.511 5.256 -2.840 264 1HG2 ILE 33 1HG2 ILE 33 -8.824 2.585 -2.693 265 2HG2 ILE 33 2HG2 ILE 33 -8.267 3.355 -1.207 266 3HG2 ILE 33 3HG2 ILE 33 -9.090 4.311 -2.441 267 1HD1 ILE 33 1HD1 ILE 33 -7.412 6.482 -3.697 268 2HD1 ILE 33 2HD1 ILE 33 -8.308 6.163 -2.212 269 3HD1 ILE 33 3HD1 ILE 33 -6.864 7.173 -2.168 270 H GLU 34 H GLU 34 -6.582 1.652 -4.977 271 HA GLU 34 HA GLU 34 -8.542 -0.236 -4.431 272 1HB GLU 34 1HB GLU 34 -7.988 0.603 -6.676 273 2HB GLU 34 2HB GLU 34 -6.462 -0.263 -6.623 274 1HG GLU 34 1HG GLU 34 -7.665 -2.382 -6.534 275 2HG GLU 34 2HG GLU 34 -9.199 -1.514 -6.584 276 H PHE 35 H PHE 35 -5.035 -0.721 -4.798 277 HA PHE 35 HA PHE 35 -5.047 -3.487 -4.285 278 1HB PHE 35 1HB PHE 35 -2.837 -1.465 -3.875 279 2HB PHE 35 2HB PHE 35 -2.619 -3.209 -3.836 280 HD1 PHE 35 HD1 PHE 35 -4.363 -3.993 -6.125 281 HD2 PHE 35 HD2 PHE 35 -1.552 -0.826 -5.704 282 HE1 PHE 35 HE1 PHE 35 -3.991 -4.006 -8.558 283 HE2 PHE 35 HE2 PHE 35 -1.180 -0.828 -8.134 284 HZ PHE 35 HZ PHE 35 -2.400 -2.418 -9.564 285 H ALA 36 H ALA 36 -4.637 -0.708 -2.129 286 HA ALA 36 HA ALA 36 -4.094 -2.146 0.226 287 1HB ALA 36 1HB ALA 36 -4.783 -0.129 1.414 288 2HB ALA 36 2HB ALA 36 -3.768 0.278 0.030 289 3HB ALA 36 3HB ALA 36 -5.516 0.501 -0.060 290 H LYS 37 H LYS 37 -7.129 -1.080 -1.242 291 HA LYS 37 HA LYS 37 -8.849 -2.021 0.774 292 1HB LYS 37 1HB LYS 37 -9.203 -1.338 -2.113 293 2HB LYS 37 2HB LYS 37 -10.507 -2.142 -1.251 294 1HG LYS 37 1HG LYS 37 -10.387 -0.312 0.444 295 2HG LYS 37 2HG LYS 37 -9.271 0.525 -0.637 296 1HD LYS 37 1HD LYS 37 -10.913 0.718 -2.333 297 2HD LYS 37 2HD LYS 37 -11.989 -0.417 -1.517 298 1HE LYS 37 1HE LYS 37 -12.226 1.208 0.335 299 2HE LYS 37 2HE LYS 37 -11.240 2.350 -0.582 300 1HZ LYS 37 1HZ LYS 37 -13.743 1.173 -1.642 301 2HZ LYS 37 2HZ LYS 37 -13.714 2.632 -0.784 302 3HZ LYS 37 3HZ LYS 37 -12.875 2.499 -2.253 303 H GLN 38 H GLN 38 -7.484 -3.592 -2.063 304 HA GLN 38 HA GLN 38 -9.029 -5.905 -2.099 305 1HB GLN 38 1HB GLN 38 -6.112 -5.563 -2.809 306 2HB GLN 38 2HB GLN 38 -7.064 -6.990 -3.192 307 1HG GLN 38 1HG GLN 38 -8.556 -5.643 -4.561 308 2HG GLN 38 2HG GLN 38 -7.627 -4.198 -4.161 309 1HE2 GLN 38 2HE2 GLN 38 -8.172 -5.403 -6.745 310 2HE2 GLN 38 1HE2 GLN 38 -6.636 -5.728 -7.459 311 H TRP 39 H TRP 39 -6.183 -5.146 -0.144 312 HA TRP 39 HA TRP 39 -6.124 -7.734 1.100 313 1HB TRP 39 1HB TRP 39 -4.085 -6.374 0.929 314 2HB TRP 39 2HB TRP 39 -4.819 -5.132 1.939 315 HD1 TRP 39 HD1 TRP 39 -4.031 -8.928 2.301 316 HE1 TRP 39 HE1 TRP 39 -3.196 -9.334 4.703 317 HE3 TRP 39 HE3 TRP 39 -4.437 -4.162 4.114 318 HZ2 TRP 39 HZ2 TRP 39 -2.756 -7.826 7.049 319 HZ3 TRP 39 HZ3 TRP 39 -3.784 -3.729 6.446 320 HH2 TRP 39 HH2 TRP 39 -2.963 -5.524 7.881 321 H LEU 40 H LEU 40 -7.432 -4.560 1.881 322 HA LEU 40 HA LEU 40 -8.273 -5.145 4.510 323 1HB LEU 40 1HB LEU 40 -9.329 -3.146 2.515 324 2HB LEU 40 2HB LEU 40 -9.799 -3.198 4.203 325 HG LEU 40 HG LEU 40 -6.999 -2.688 3.193 326 1HD1 LEU 40 1HD1 LEU 40 -9.031 -0.811 4.391 327 2HD1 LEU 40 2HD1 LEU 40 -7.365 -0.407 3.976 328 3HD1 LEU 40 3HD1 LEU 40 -8.511 -0.839 2.707 329 1HD2 LEU 40 1HD2 LEU 40 -8.147 -2.601 5.980 330 2HD2 LEU 40 2HD2 LEU 40 -7.019 -3.806 5.358 331 3HD2 LEU 40 3HD2 LEU 40 -6.511 -2.126 5.525 332 H SER 41 H SER 41 -9.745 -5.723 1.376 333 HA SER 41 HA SER 41 -12.322 -6.418 2.303 334 1HB SER 41 1HB SER 41 -10.834 -7.333 -0.171 335 2HB SER 41 2HB SER 41 -12.562 -7.552 0.112 336 HG SER 41 HG SER 41 -12.747 -5.264 0.226 337 H SER 42 H SER 42 -9.338 -8.234 1.945 338 HA SER 42 HA SER 42 -10.482 -10.794 2.359 339 1HB SER 42 1HB SER 42 -7.629 -9.873 2.775 340 2HB SER 42 2HB SER 42 -8.167 -11.548 2.627 341 HG SER 42 HG SER 42 -7.333 -10.520 0.648 342 H ILE 43 H ILE 43 -8.968 -8.425 4.524 343 HA ILE 43 HA ILE 43 -9.426 -10.145 6.816 344 HB ILE 43 HB ILE 43 -8.494 -8.285 8.158 345 1HG1 ILE 43 1HG1 ILE 43 -8.134 -6.932 5.473 346 2HG1 ILE 43 2HG1 ILE 43 -9.257 -6.423 6.729 347 1HG2 ILE 43 1HG2 ILE 43 -6.208 -8.459 7.289 348 2HG2 ILE 43 2HG2 ILE 43 -7.037 -10.015 7.270 349 3HG2 ILE 43 3HG2 ILE 43 -6.838 -9.102 5.774 350 1HD1 ILE 43 1HD1 ILE 43 -6.256 -6.454 6.936 351 2HD1 ILE 43 2HD1 ILE 43 -7.282 -5.034 6.726 352 3HD1 ILE 43 3HD1 ILE 43 -7.366 -5.972 8.218 353 H GLY 44 H GLY 44 -11.209 -7.933 5.039 354 1HA GLY 44 1HA GLY 44 -13.394 -7.270 5.286 355 2HA GLY 44 2HA GLY 44 -13.454 -8.189 6.780 356 H GLU 45 H GLU 45 -11.154 -5.600 6.140 357 HA GLU 45 HA GLU 45 -12.480 -4.058 8.277 358 1HB GLU 45 1HB GLU 45 -9.552 -4.368 7.642 359 2HB GLU 45 2HB GLU 45 -10.162 -3.096 8.688 360 1HG GLU 45 1HG GLU 45 -10.361 -6.065 9.138 361 2HG GLU 45 2HG GLU 45 -9.355 -4.920 10.022 362 H GLU 46 H GLU 46 -12.652 -3.960 5.221 363 HA GLU 46 HA GLU 46 -11.486 -1.415 4.544 364 1HB GLU 46 1HB GLU 46 -12.530 -1.714 2.373 365 2HB GLU 46 2HB GLU 46 -11.730 -3.199 2.865 366 1HG GLU 46 1HG GLU 46 -13.781 -4.245 3.378 367 2HG GLU 46 2HG GLU 46 -14.667 -2.726 3.252 368 H GLY 47 H GLY 47 -13.559 -1.641 6.723 369 1HA GLY 47 1HA GLY 47 -15.884 -0.260 5.787 370 2HA GLY 47 2HA GLY 47 -15.422 -0.501 7.467 371 H ALA 48 H ALA 48 -12.723 0.713 6.584 372 HA ALA 48 HA ALA 48 -13.411 3.451 7.196 373 1HB ALA 48 1HB ALA 48 -11.430 2.417 8.203 374 2HB ALA 48 2HB ALA 48 -10.730 2.199 6.598 375 3HB ALA 48 3HB ALA 48 -10.999 3.824 7.231 376 H THR 49 H THR 49 -13.132 5.210 5.819 377 HA THR 49 HA THR 49 -13.492 4.608 3.032 378 HB THR 49 HB THR 49 -13.182 7.329 4.314 379 HG1 THR 49 HG1 THR 49 -14.985 5.846 5.066 380 1HG2 THR 49 1HG2 THR 49 -12.921 7.326 1.882 381 2HG2 THR 49 2HG2 THR 49 -14.448 6.461 1.711 382 3HG2 THR 49 3HG2 THR 49 -14.432 8.107 2.347 383 H VAL 50 H VAL 50 -11.562 3.711 2.335 384 HA VAL 50 HA VAL 50 -9.037 4.856 2.933 385 HB VAL 50 HB VAL 50 -9.654 2.974 0.650 386 1HG1 VAL 50 1HG1 VAL 50 -7.311 2.276 0.971 387 2HG1 VAL 50 2HG1 VAL 50 -7.452 3.975 0.518 388 3HG1 VAL 50 3HG1 VAL 50 -7.122 3.532 2.193 389 1HG2 VAL 50 1HG2 VAL 50 -9.014 2.343 3.529 390 2HG2 VAL 50 2HG2 VAL 50 -10.536 2.025 2.696 391 3HG2 VAL 50 3HG2 VAL 50 -9.074 1.162 2.220 392 H THR 51 H THR 51 -8.914 6.931 2.362 393 HA THR 51 HA THR 51 -8.785 7.471 -0.518 394 HB THR 51 HB THR 51 -10.806 8.569 0.274 395 HG1 THR 51 HG1 THR 51 -10.387 10.402 -0.714 396 1HG2 THR 51 1HG2 THR 51 -10.282 8.705 2.652 397 2HG2 THR 51 2HG2 THR 51 -9.056 9.927 2.315 398 3HG2 THR 51 3HG2 THR 51 -10.758 10.281 2.022 399 H SER 52 H SER 52 -7.680 9.730 -0.704 400 HA SER 52 HA SER 52 -5.007 9.526 -0.237 401 1HB SER 52 1HB SER 52 -6.764 11.956 -0.497 402 2HB SER 52 2HB SER 52 -5.007 11.969 -0.722 403 HG SER 52 HG SER 52 -5.246 11.025 -2.616 404 H GLU 53 H GLU 53 -7.432 10.637 2.008 405 HA GLU 53 HA GLU 53 -5.577 11.973 3.738 406 1HB GLU 53 1HB GLU 53 -7.830 12.784 3.687 407 2HB GLU 53 2HB GLU 53 -8.468 11.194 4.085 408 1HG GLU 53 1HG GLU 53 -7.705 11.324 6.301 409 2HG GLU 53 2HG GLU 53 -6.649 12.687 5.941 410 H GLU 54 H GLU 54 -7.026 8.754 3.601 411 HA GLU 54 HA GLU 54 -5.846 8.125 6.195 412 1HB GLU 54 1HB GLU 54 -7.659 6.462 4.435 413 2HB GLU 54 2HB GLU 54 -7.074 5.983 6.025 414 1HG GLU 54 1HG GLU 54 -8.143 8.219 6.803 415 2HG GLU 54 2HG GLU 54 -9.044 8.103 5.294 416 H CYS 55 H CYS 55 -5.437 7.408 2.790 417 HA CYS 55 HA CYS 55 -2.991 5.940 3.506 418 1HB CYS 55 1HB CYS 55 -2.964 5.164 1.143 419 2HB CYS 55 2HB CYS 55 -4.405 4.649 2.010 420 HG CYS 55 HG CYS 55 -4.423 7.408 0.017 421 H ARG 56 H ARG 56 -1.559 7.521 3.886 422 HA ARG 56 HA ARG 56 -1.517 9.880 2.169 423 1HB ARG 56 1HB ARG 56 -0.156 9.251 4.788 424 2HB ARG 56 2HB ARG 56 0.053 10.760 3.910 425 1HG ARG 56 1HG ARG 56 -2.251 11.324 4.195 426 2HG ARG 56 2HG ARG 56 -2.605 9.734 4.873 427 1HD ARG 56 1HD ARG 56 -1.239 10.214 6.805 428 2HD ARG 56 2HD ARG 56 -0.740 11.755 6.109 429 HE ARG 56 HE ARG 56 -2.987 12.555 6.415 430 1HH1 ARG 56 1HH1 ARG 56 -2.234 9.514 7.994 431 2HH1 ARG 56 2HH1 ARG 56 -3.542 9.638 9.128 432 1HH2 ARG 56 1HH2 ARG 56 -4.711 12.732 7.917 433 2HH2 ARG 56 2HH2 ARG 56 -4.946 11.476 9.092 434 H PHE 57 H PHE 57 -0.077 10.146 0.620 435 HA PHE 57 HA PHE 57 1.910 8.157 0.105 436 1HB PHE 57 1HB PHE 57 0.681 9.322 -1.702 437 2HB PHE 57 2HB PHE 57 1.468 10.829 -1.244 438 HD1 PHE 57 HD1 PHE 57 3.430 11.444 -2.290 439 HD2 PHE 57 HD2 PHE 57 2.265 7.353 -2.306 440 HE1 PHE 57 HE1 PHE 57 5.307 10.918 -3.789 441 HE2 PHE 57 HE2 PHE 57 4.142 6.819 -3.802 442 HZ PHE 57 HZ PHE 57 5.665 8.604 -4.547 443 H CYS 58 H CYS 58 3.925 8.109 0.832 444 HA CYS 58 HA CYS 58 4.935 10.372 2.349 445 1HB CYS 58 1HB CYS 58 6.176 7.652 1.890 446 2HB CYS 58 2HB CYS 58 6.702 8.852 3.067 447 HG CYS 58 HG CYS 58 5.462 7.390 4.834 448 H HIS 59 H HIS 59 6.335 8.228 -0.135 449 HA HIS 59 HA HIS 59 7.232 10.268 -1.831 450 1HB HIS 59 1HB HIS 59 9.664 10.196 -1.395 451 2HB HIS 59 2HB HIS 59 8.782 10.864 -0.032 452 HD1 HIS 59 HD1 HIS 59 9.279 9.852 2.204 453 HD2 HIS 59 HD2 HIS 59 10.477 7.406 -0.945 454 HE1 HIS 59 HE1 HIS 59 10.487 7.914 3.260 455 HE2 HIS 59 HE2 HIS 59 11.093 6.382 1.349 456 H SER 60 H SER 60 9.217 9.304 -3.175 457 HA SER 60 HA SER 60 8.708 6.427 -3.572 458 1HB SER 60 1HB SER 60 9.566 8.432 -5.678 459 2HB SER 60 2HB SER 60 9.127 6.744 -5.941 460 HG SER 60 HG SER 60 7.457 8.900 -5.168 461 H GLU 61 H GLU 61 10.431 5.144 -3.272 462 HA GLU 61 HA GLU 61 13.114 6.324 -3.515 463 1HB GLU 61 1HB GLU 61 13.839 5.088 -1.504 464 2HB GLU 61 2HB GLU 61 12.611 6.290 -1.135 465 1HG GLU 61 1HG GLU 61 10.914 4.515 -1.086 466 2HG GLU 61 2HG GLU 61 12.174 3.325 -1.414 467 H LYS 62 H LYS 62 14.784 4.390 -3.318 468 HA LYS 62 HA LYS 62 14.253 2.637 -5.475 469 1HB LYS 62 1HB LYS 62 16.385 1.578 -4.926 470 2HB LYS 62 2HB LYS 62 16.538 3.328 -4.897 471 1HG LYS 62 1HG LYS 62 16.625 3.387 -2.548 472 2HG LYS 62 2HG LYS 62 16.063 1.722 -2.409 473 1HD LYS 62 1HD LYS 62 18.145 0.945 -3.452 474 2HD LYS 62 2HD LYS 62 18.706 2.615 -3.559 475 1HE LYS 62 1HE LYS 62 18.772 2.821 -1.182 476 2HE LYS 62 2HE LYS 62 17.960 1.270 -0.970 477 1HZ LYS 62 1HZ LYS 62 20.633 1.591 -2.225 478 2HZ LYS 62 2HZ LYS 62 20.382 1.186 -0.593 479 3HZ LYS 62 3HZ LYS 62 19.861 0.136 -1.818 480 H ALA 63 H ALA 63 13.826 0.440 -5.489 481 HA ALA 63 HA ALA 63 12.420 -0.486 -3.113 482 1HB ALA 63 1HB ALA 63 11.364 -2.090 -4.530 483 2HB ALA 63 2HB ALA 63 11.330 -0.527 -5.349 484 3HB ALA 63 3HB ALA 63 12.499 -1.752 -5.840 485 HA PRO 64 HA PRO 64 15.753 -3.358 -2.098 486 1HB PRO 64 1HB PRO 64 13.606 -4.506 -0.413 487 2HB PRO 64 2HB PRO 64 15.224 -3.970 0.048 488 1HG PRO 64 1HG PRO 64 13.048 -2.558 0.715 489 2HG PRO 64 2HG PRO 64 14.576 -1.765 0.282 490 1HD PRO 64 1HD PRO 64 12.092 -2.116 -1.348 491 2HD PRO 64 2HD PRO 64 13.193 -0.725 -1.252 492 H ASP 65 H ASP 65 16.166 -5.198 -3.188 493 HA ASP 65 HA ASP 65 14.438 -6.128 -5.155 494 1HB ASP 65 1HB ASP 65 16.896 -6.392 -5.190 495 2HB ASP 65 2HB ASP 65 16.767 -7.604 -3.920 496 H GLU 66 H GLU 66 14.850 -7.164 -1.865 497 HA GLU 66 HA GLU 66 13.569 -9.645 -1.933 498 1HB GLU 66 1HB GLU 66 14.876 -8.874 -0.037 499 2HB GLU 66 2HB GLU 66 13.718 -7.589 0.274 500 1HG GLU 66 1HG GLU 66 12.024 -9.222 0.852 501 2HG GLU 66 2HG GLU 66 13.137 -10.536 0.470 502 H VAL 67 H VAL 67 12.194 -6.475 -2.233 503 HA VAL 67 HA VAL 67 9.529 -7.502 -1.507 504 HB VAL 67 HB VAL 67 8.801 -5.306 -1.138 505 1HG1 VAL 67 1HG1 VAL 67 11.698 -5.338 -0.329 506 2HG1 VAL 67 2HG1 VAL 67 10.448 -4.295 0.351 507 3HG1 VAL 67 3HG1 VAL 67 10.358 -6.042 0.578 508 1HG2 VAL 67 1HG2 VAL 67 9.981 -3.289 -1.839 509 2HG2 VAL 67 2HG2 VAL 67 11.232 -4.277 -2.593 510 3HG2 VAL 67 3HG2 VAL 67 9.586 -4.309 -3.223 511 H ILE 68 H ILE 68 11.420 -7.007 -4.201 512 HA ILE 68 HA ILE 68 9.537 -5.565 -5.807 513 HB ILE 68 HB ILE 68 12.159 -6.860 -6.540 514 1HG1 ILE 68 1HG1 ILE 68 11.353 -4.016 -5.918 515 2HG1 ILE 68 2HG1 ILE 68 12.299 -5.068 -4.878 516 1HG2 ILE 68 1HG2 ILE 68 10.727 -6.628 -8.513 517 2HG2 ILE 68 2HG2 ILE 68 10.450 -4.932 -8.119 518 3HG2 ILE 68 3HG2 ILE 68 12.066 -5.479 -8.567 519 1HD1 ILE 68 1HD1 ILE 68 13.114 -3.938 -7.536 520 2HD1 ILE 68 2HD1 ILE 68 13.738 -3.503 -5.943 521 3HD1 ILE 68 3HD1 ILE 68 14.057 -5.105 -6.608 522 H GLU 69 H GLU 69 10.514 -8.956 -5.579 523 HA GLU 69 HA GLU 69 9.171 -9.765 -7.935 524 1HB GLU 69 1HB GLU 69 10.869 -11.170 -6.824 525 2HB GLU 69 2HB GLU 69 9.765 -11.423 -5.478 526 1HG GLU 69 1HG GLU 69 8.257 -12.652 -6.820 527 2HG GLU 69 2HG GLU 69 9.082 -12.177 -8.303 528 H ALA 70 H ALA 70 8.146 -9.538 -4.555 529 HA ALA 70 HA ALA 70 5.563 -10.571 -4.831 530 1HB ALA 70 1HB ALA 70 5.014 -9.320 -2.815 531 2HB ALA 70 2HB ALA 70 6.600 -10.078 -2.668 532 3HB ALA 70 3HB ALA 70 6.477 -8.351 -3.003 533 H ILE 71 H ILE 71 6.745 -7.251 -5.246 534 HA ILE 71 HA ILE 71 4.243 -6.116 -5.933 535 HB ILE 71 HB ILE 71 7.022 -5.170 -6.669 536 1HG1 ILE 71 1HG1 ILE 71 5.230 -4.385 -4.362 537 2HG1 ILE 71 2HG1 ILE 71 6.654 -5.411 -4.236 538 1HG2 ILE 71 1HG2 ILE 71 4.405 -3.669 -6.633 539 2HG2 ILE 71 2HG2 ILE 71 5.990 -2.968 -6.954 540 3HG2 ILE 71 3HG2 ILE 71 5.303 -4.149 -8.072 541 1HD1 ILE 71 1HD1 ILE 71 8.057 -3.550 -4.954 542 2HD1 ILE 71 2HD1 ILE 71 6.627 -2.525 -5.083 543 3HD1 ILE 71 3HD1 ILE 71 7.128 -3.146 -3.512 544 H LYS 72 H LYS 72 6.769 -7.696 -7.778 545 HA LYS 72 HA LYS 72 5.858 -6.998 -10.354 546 1HB LYS 72 1HB LYS 72 8.108 -7.867 -9.909 547 2HB LYS 72 2HB LYS 72 7.425 -9.417 -9.445 548 1HG LYS 72 1HG LYS 72 6.621 -9.770 -11.702 549 2HG LYS 72 2HG LYS 72 7.223 -8.182 -12.182 550 1HD LYS 72 1HD LYS 72 8.922 -10.455 -11.152 551 2HD LYS 72 2HD LYS 72 8.741 -10.005 -12.849 552 1HE LYS 72 1HE LYS 72 9.847 -8.236 -10.671 553 2HE LYS 72 2HE LYS 72 10.807 -9.113 -11.860 554 1HZ LYS 72 1HZ LYS 72 9.621 -7.838 -13.604 555 2HZ LYS 72 2HZ LYS 72 8.883 -6.908 -12.393 556 3HZ LYS 72 3HZ LYS 72 10.572 -6.867 -12.585 557 H GLN 73 H GLN 73 5.020 -9.616 -8.164 558 HA GLN 73 HA GLN 73 3.407 -10.939 -10.169 559 1HB GLN 73 1HB GLN 73 3.798 -11.526 -7.232 560 2HB GLN 73 2HB GLN 73 2.859 -12.524 -8.333 561 1HG GLN 73 1HG GLN 73 4.882 -12.908 -9.674 562 2HG GLN 73 2HG GLN 73 5.810 -11.959 -8.515 563 1HE2 GLN 73 2HE2 GLN 73 4.124 -14.933 -9.097 564 2HE2 GLN 73 1HE2 GLN 73 4.732 -15.785 -7.716 565 H ASN 74 H ASN 74 2.840 -9.062 -7.208 566 HA ASN 74 HA ASN 74 -0.042 -9.439 -7.526 567 1HB ASN 74 1HB ASN 74 1.578 -8.224 -5.283 568 2HB ASN 74 2HB ASN 74 -0.179 -8.340 -5.285 569 1HD2 ASN 74 2HD2 ASN 74 2.810 -10.079 -5.038 570 2HD2 ASN 74 1HD2 ASN 74 2.129 -11.577 -4.489 571 H GLY 75 H GLY 75 2.381 -6.948 -7.799 572 1HA GLY 75 1HA GLY 75 2.038 -4.908 -8.959 573 2HA GLY 75 2HA GLY 75 0.309 -5.063 -8.666 574 H TYR 76 H TYR 76 1.545 -5.878 -5.826 575 HA TYR 76 HA TYR 76 2.168 -3.266 -4.774 576 1HB TYR 76 1HB TYR 76 0.271 -3.203 -3.212 577 2HB TYR 76 2HB TYR 76 -0.286 -3.170 -4.880 578 HD1 TYR 76 HD1 TYR 76 -0.344 -4.967 -1.738 579 HD2 TYR 76 HD2 TYR 76 -1.308 -5.225 -5.871 580 HE1 TYR 76 HE1 TYR 76 -1.816 -6.878 -1.268 581 HE2 TYR 76 HE2 TYR 76 -2.787 -7.137 -5.413 582 HH TYR 76 HH TYR 76 -3.061 -8.893 -3.703 583 H PHE 77 H PHE 77 3.028 -3.349 -2.691 584 HA PHE 77 HA PHE 77 3.255 -6.024 -1.479 585 1HB PHE 77 1HB PHE 77 5.421 -5.263 -2.421 586 2HB PHE 77 2HB PHE 77 5.330 -3.814 -1.429 587 HD1 PHE 77 HD1 PHE 77 6.034 -3.834 0.822 588 HD2 PHE 77 HD2 PHE 77 5.641 -7.495 -1.312 589 HE1 PHE 77 HE1 PHE 77 7.177 -5.017 2.649 590 HE2 PHE 77 HE2 PHE 77 6.788 -8.683 0.512 591 HZ PHE 77 HZ PHE 77 7.557 -7.444 2.497 592 H ILE 78 H ILE 78 1.966 -6.021 0.238 593 HA ILE 78 HA ILE 78 1.425 -3.593 1.712 594 HB ILE 78 HB ILE 78 0.517 -6.424 2.274 595 1HG1 ILE 78 1HG1 ILE 78 -0.328 -5.599 0.119 596 2HG1 ILE 78 2HG1 ILE 78 -1.629 -5.738 1.298 597 1HG2 ILE 78 1HG2 ILE 78 0.466 -5.019 4.265 598 2HG2 ILE 78 2HG2 ILE 78 -0.462 -3.799 3.396 599 3HG2 ILE 78 3HG2 ILE 78 -1.170 -5.382 3.715 600 1HD1 ILE 78 1HD1 ILE 78 -0.242 -3.190 0.490 601 2HD1 ILE 78 2HD1 ILE 78 -1.849 -3.712 -0.014 602 3HD1 ILE 78 3HD1 ILE 78 -1.540 -3.328 1.678 603 H TYR 79 H TYR 79 3.220 -2.964 2.838 604 HA TYR 79 HA TYR 79 4.648 -4.923 4.432 605 1HB TYR 79 1HB TYR 79 5.983 -3.168 3.400 606 2HB TYR 79 2HB TYR 79 5.016 -1.928 4.197 607 HD1 TYR 79 HD1 TYR 79 5.491 -1.249 6.416 608 HD2 TYR 79 HD2 TYR 79 7.416 -4.686 4.811 609 HE1 TYR 79 HE1 TYR 79 6.977 -1.324 8.374 610 HE2 TYR 79 HE2 TYR 79 8.911 -4.767 6.761 611 HH TYR 79 HH TYR 79 8.333 -3.012 9.587 612 H LYS 80 H LYS 80 3.724 -5.586 6.225 613 HA LYS 80 HA LYS 80 1.859 -3.966 7.684 614 1HB LYS 80 1HB LYS 80 3.154 -6.551 8.566 615 2HB LYS 80 2HB LYS 80 1.663 -5.845 9.177 616 1HG LYS 80 1HG LYS 80 0.578 -6.224 7.041 617 2HG LYS 80 2HG LYS 80 2.080 -6.868 6.376 618 1HD LYS 80 1HD LYS 80 2.021 -8.635 8.123 619 2HD LYS 80 2HD LYS 80 0.437 -8.033 8.616 620 1HE LYS 80 1HE LYS 80 -0.423 -8.486 6.369 621 2HE LYS 80 2HE LYS 80 1.160 -9.088 5.885 622 1HZ LYS 80 1HZ LYS 80 0.935 -10.782 7.667 623 2HZ LYS 80 2HZ LYS 80 -0.662 -10.269 7.907 624 3HZ LYS 80 3HZ LYS 80 -0.201 -10.941 6.418 625 H MET 81 H MET 81 2.903 -2.165 8.378 626 HA MET 81 HA MET 81 5.464 -1.956 9.407 627 1HB MET 81 1HB MET 81 4.068 -0.042 8.730 628 2HB MET 81 2HB MET 81 3.039 -0.300 10.130 629 1HG MET 81 1HG MET 81 4.976 0.161 11.590 630 2HG MET 81 2HG MET 81 5.937 0.510 10.153 631 1HE MET 81 1HE MET 81 3.751 1.943 8.309 632 2HE MET 81 2HE MET 81 5.406 2.531 8.481 633 3HE MET 81 3HE MET 81 4.051 3.637 8.697 634 H GLU 82 H GLU 82 2.477 -1.902 11.339 635 HA GLU 82 HA GLU 82 3.535 -3.804 13.218 636 1HB GLU 82 1HB GLU 82 4.542 -1.506 13.809 637 2HB GLU 82 2HB GLU 82 2.915 -1.061 14.306 638 1HG GLU 82 1HG GLU 82 2.900 -2.781 15.981 639 2HG GLU 82 2HG GLU 82 4.447 -3.403 15.410 640 H GLY 83 H GLY 83 1.194 -3.043 11.413 641 1HA GLY 83 1HA GLY 83 -1.071 -2.587 13.061 642 2HA GLY 83 2HA GLY 83 -1.098 -3.175 11.406 643 H CYS 84 H CYS 84 0.597 -5.476 12.034 644 HA CYS 84 HA CYS 84 -1.449 -7.132 13.323 645 1HB CYS 84 1HB CYS 84 0.856 -7.982 11.558 646 2HB CYS 84 2HB CYS 84 -0.446 -9.011 12.146 647 HG CYS 84 HG CYS 84 -1.608 -8.762 9.848 648 H ASN 85 H ASN 85 -1.030 -7.195 15.434 649 HA ASN 85 HA ASN 85 1.701 -7.171 16.411 650 1HB ASN 85 1HB ASN 85 -0.104 -5.761 17.444 651 2HB ASN 85 2HB ASN 85 -0.873 -7.243 18.000 652 1HD2 ASN 85 2HD2 ASN 85 0.032 -8.389 19.691 653 2HD2 ASN 85 1HD2 ASN 85 1.286 -7.734 20.690 Start of MODEL 18 1 H MET 1 H MET 1 14.223 -0.427 -10.463 2 HA MET 1 HA MET 1 12.054 0.532 -10.218 3 1HB MET 1 1HB MET 1 12.398 -1.911 -9.883 4 2HB MET 1 2HB MET 1 12.565 -1.626 -8.159 5 1HG MET 1 1HG MET 1 10.276 -0.827 -8.045 6 2HG MET 1 2HG MET 1 10.103 -1.043 -9.786 7 1HE MET 1 1HE MET 1 8.112 -2.291 -7.606 8 2HE MET 1 2HE MET 1 7.871 -3.908 -8.266 9 3HE MET 1 3HE MET 1 7.901 -2.513 -9.343 10 H GLN 2 H GLN 2 11.043 2.170 -9.294 11 HA GLN 2 HA GLN 2 11.791 2.939 -6.558 12 1HB GLN 2 1HB GLN 2 10.424 4.515 -8.753 13 2HB GLN 2 2HB GLN 2 10.787 5.133 -7.146 14 1HG GLN 2 1HG GLN 2 12.887 4.107 -9.031 15 2HG GLN 2 2HG GLN 2 12.384 5.795 -8.962 16 1HE2 GLN 2 2HE2 GLN 2 14.962 4.498 -8.386 17 2HE2 GLN 2 1HE2 GLN 2 15.378 4.990 -6.781 18 H ILE 3 H ILE 3 10.405 2.571 -4.963 19 HA ILE 3 HA ILE 3 7.697 1.722 -5.670 20 HB ILE 3 HB ILE 3 7.589 1.049 -3.220 21 1HG1 ILE 3 1HG1 ILE 3 10.578 1.483 -3.441 22 2HG1 ILE 3 2HG1 ILE 3 9.478 2.408 -2.427 23 1HG2 ILE 3 1HG2 ILE 3 7.820 -0.570 -4.976 24 2HG2 ILE 3 2HG2 ILE 3 9.555 -0.268 -5.077 25 3HG2 ILE 3 3HG2 ILE 3 8.874 -1.022 -3.637 26 1HD1 ILE 3 1HD1 ILE 3 10.715 0.773 -1.130 27 2HD1 ILE 3 2HD1 ILE 3 8.990 0.401 -1.128 28 3HD1 ILE 3 3HD1 ILE 3 10.093 -0.525 -2.148 29 H HIS 4 H HIS 4 5.996 2.937 -5.365 30 HA HIS 4 HA HIS 4 6.225 5.482 -4.016 31 1HB HIS 4 1HB HIS 4 4.016 4.089 -5.515 32 2HB HIS 4 2HB HIS 4 3.692 5.539 -4.570 33 HD1 HIS 4 HD1 HIS 4 3.539 7.455 -6.119 34 HD2 HIS 4 HD2 HIS 4 6.557 4.815 -7.215 35 HE1 HIS 4 HE1 HIS 4 4.682 8.516 -8.084 36 HE2 HIS 4 HE2 HIS 4 6.671 7.036 -8.535 37 H VAL 5 H VAL 5 6.120 5.604 -1.899 38 HA VAL 5 HA VAL 5 4.953 3.447 -0.366 39 HB VAL 5 HB VAL 5 6.233 5.993 0.638 40 1HG1 VAL 5 1HG1 VAL 5 6.532 4.726 2.720 41 2HG1 VAL 5 2HG1 VAL 5 4.830 4.900 2.294 42 3HG1 VAL 5 3HG1 VAL 5 5.658 3.368 2.011 43 1HG2 VAL 5 1HG2 VAL 5 7.800 4.744 -0.744 44 2HG2 VAL 5 2HG2 VAL 5 8.260 4.651 0.956 45 3HG2 VAL 5 3HG2 VAL 5 7.469 3.278 0.180 46 H TYR 6 H TYR 6 2.782 3.503 -0.406 47 HA TYR 6 HA TYR 6 1.470 5.976 0.493 48 1HB TYR 6 1HB TYR 6 0.300 3.487 -0.773 49 2HB TYR 6 2HB TYR 6 -0.645 4.856 -0.205 50 HD1 TYR 6 HD1 TYR 6 -0.556 7.006 -1.407 51 HD2 TYR 6 HD2 TYR 6 1.494 3.571 -2.846 52 HE1 TYR 6 HE1 TYR 6 -0.354 8.062 -3.620 53 HE2 TYR 6 HE2 TYR 6 1.709 4.616 -5.060 54 HH TYR 6 HH TYR 6 0.352 6.419 -6.368 55 H ASP 7 H ASP 7 2.000 5.782 2.697 56 HA ASP 7 HA ASP 7 1.360 3.358 4.093 57 1HB ASP 7 1HB ASP 7 2.107 4.563 6.076 58 2HB ASP 7 2HB ASP 7 3.281 4.700 4.784 59 H THR 8 H THR 8 -0.537 2.848 4.869 60 HA THR 8 HA THR 8 -2.642 4.889 4.738 61 HB THR 8 HB THR 8 -3.041 1.903 4.906 62 HG1 THR 8 HG1 THR 8 -1.773 3.054 2.993 63 1HG2 THR 8 1HG2 THR 8 -5.185 2.425 3.839 64 2HG2 THR 8 2HG2 THR 8 -5.006 3.301 5.359 65 3HG2 THR 8 3HG2 THR 8 -4.766 4.139 3.825 66 H TYR 9 H TYR 9 -3.740 5.511 6.491 67 HA TYR 9 HA TYR 9 -3.195 4.162 9.052 68 1HB TYR 9 1HB TYR 9 -4.374 6.897 8.498 69 2HB TYR 9 2HB TYR 9 -4.098 6.221 10.094 70 HD1 TYR 9 HD1 TYR 9 -2.030 6.479 11.164 71 HD2 TYR 9 HD2 TYR 9 -2.361 7.349 7.012 72 HE1 TYR 9 HE1 TYR 9 0.215 7.479 11.201 73 HE2 TYR 9 HE2 TYR 9 -0.117 8.348 7.038 74 HH TYR 9 HH TYR 9 1.556 9.105 8.372 75 H VAL 10 H VAL 10 -4.720 2.431 8.671 76 HA VAL 10 HA VAL 10 -7.512 3.187 8.284 77 HB VAL 10 HB VAL 10 -6.336 0.422 8.627 78 1HG1 VAL 10 1HG1 VAL 10 -8.456 -0.359 7.682 79 2HG1 VAL 10 2HG1 VAL 10 -8.701 0.517 9.192 80 3HG1 VAL 10 3HG1 VAL 10 -9.052 1.302 7.650 81 1HG2 VAL 10 1HG2 VAL 10 -5.450 1.498 6.635 82 2HG2 VAL 10 2HG2 VAL 10 -6.577 0.212 6.202 83 3HG2 VAL 10 3HG2 VAL 10 -7.086 1.898 6.108 84 H LYS 11 H LYS 11 -8.772 3.646 9.957 85 HA LYS 11 HA LYS 11 -8.002 2.856 12.642 86 1HB LYS 11 1HB LYS 11 -10.377 4.423 11.602 87 2HB LYS 11 2HB LYS 11 -10.122 4.061 13.301 88 1HG LYS 11 1HG LYS 11 -9.379 6.281 12.930 89 2HG LYS 11 2HG LYS 11 -7.940 5.284 13.144 90 1HD LYS 11 1HD LYS 11 -7.660 5.191 10.706 91 2HD LYS 11 2HD LYS 11 -9.085 6.213 10.510 92 1HE LYS 11 1HE LYS 11 -7.981 8.024 11.681 93 2HE LYS 11 2HE LYS 11 -6.578 7.001 11.990 94 1HZ LYS 11 1HZ LYS 11 -6.344 6.814 9.527 95 2HZ LYS 11 2HZ LYS 11 -7.535 8.000 9.358 96 3HZ LYS 11 3HZ LYS 11 -6.072 8.369 10.140 97 H ALA 12 H ALA 12 -8.227 0.696 12.869 98 HA ALA 12 HA ALA 12 -10.430 -0.737 11.723 99 1HB ALA 12 1HB ALA 12 -9.431 -2.703 12.740 100 2HB ALA 12 2HB ALA 12 -8.202 -1.738 11.921 101 3HB ALA 12 3HB ALA 12 -8.340 -1.683 13.679 102 H LYS 13 H LYS 13 -12.043 -1.865 12.806 103 HA LYS 13 HA LYS 13 -13.305 -0.565 14.953 104 1HB LYS 13 1HB LYS 13 -13.713 -3.400 13.981 105 2HB LYS 13 2HB LYS 13 -14.852 -2.456 14.933 106 1HG LYS 13 1HG LYS 13 -15.152 -0.910 13.109 107 2HG LYS 13 2HG LYS 13 -13.929 -1.749 12.157 108 1HD LYS 13 1HD LYS 13 -16.164 -2.389 11.437 109 2HD LYS 13 2HD LYS 13 -15.320 -3.765 12.148 110 1HE LYS 13 1HE LYS 13 -16.522 -3.413 14.250 111 2HE LYS 13 2HE LYS 13 -17.360 -2.033 13.543 112 1HZ LYS 13 1HZ LYS 13 -18.355 -3.519 11.911 113 2HZ LYS 13 2HZ LYS 13 -17.552 -4.847 12.599 114 3HZ LYS 13 3HZ LYS 13 -18.733 -4.014 13.489 115 H ASP 14 H ASP 14 -10.879 -2.956 14.805 116 HA ASP 14 HA ASP 14 -11.158 -4.075 17.409 117 1HB ASP 14 1HB ASP 14 -8.740 -3.946 15.591 118 2HB ASP 14 2HB ASP 14 -8.900 -4.979 17.007 119 H GLY 15 H GLY 15 -10.621 -0.985 16.719 120 1HA GLY 15 1HA GLY 15 -9.865 0.764 18.015 121 2HA GLY 15 2HA GLY 15 -9.475 -0.406 19.268 122 H HIS 16 H HIS 16 -8.216 -0.757 16.073 123 HA HIS 16 HA HIS 16 -5.555 -0.027 17.089 124 1HB HIS 16 1HB HIS 16 -6.450 -2.395 15.486 125 2HB HIS 16 2HB HIS 16 -4.805 -1.793 15.310 126 HD1 HIS 16 HD1 HIS 16 -7.125 -3.106 18.035 127 HD2 HIS 16 HD2 HIS 16 -3.073 -2.668 17.203 128 HE1 HIS 16 HE1 HIS 16 -5.917 -4.302 19.885 129 HE2 HIS 16 HE2 HIS 16 -3.469 -4.146 19.287 130 H VAL 17 H VAL 17 -4.491 1.444 15.969 131 HA VAL 17 HA VAL 17 -5.521 2.413 13.454 132 HB VAL 17 HB VAL 17 -2.962 3.196 14.874 133 1HG1 VAL 17 1HG1 VAL 17 -2.984 3.796 12.513 134 2HG1 VAL 17 2HG1 VAL 17 -4.542 4.596 12.718 135 3HG1 VAL 17 3HG1 VAL 17 -3.109 5.235 13.524 136 1HG2 VAL 17 1HG2 VAL 17 -5.693 4.473 15.008 137 2HG2 VAL 17 2HG2 VAL 17 -4.891 3.596 16.310 138 3HG2 VAL 17 3HG2 VAL 17 -4.219 5.119 15.728 139 H MET 18 H MET 18 -5.240 0.981 11.855 140 HA MET 18 HA MET 18 -2.884 -0.667 11.705 141 1HB MET 18 1HB MET 18 -5.153 -0.348 9.732 142 2HB MET 18 2HB MET 18 -3.929 -1.607 9.693 143 1HG MET 18 1HG MET 18 -5.957 -1.205 11.880 144 2HG MET 18 2HG MET 18 -6.055 -2.405 10.591 145 1HE MET 18 1HE MET 18 -4.378 -4.437 10.332 146 2HE MET 18 2HE MET 18 -3.004 -4.719 11.404 147 3HE MET 18 3HE MET 18 -3.018 -3.314 10.336 148 H HIS 19 H HIS 19 -1.207 0.770 11.432 149 HA HIS 19 HA HIS 19 -1.207 2.384 8.996 150 1HB HIS 19 1HB HIS 19 -0.493 3.429 11.157 151 2HB HIS 19 2HB HIS 19 0.865 2.311 11.200 152 HD1 HIS 19 HD1 HIS 19 2.792 3.890 10.845 153 HD2 HIS 19 HD2 HIS 19 -0.226 4.393 8.029 154 HE1 HIS 19 HE1 HIS 19 3.685 5.551 9.181 155 HE2 HIS 19 HE2 HIS 19 1.804 5.927 7.541 156 H PHE 20 H PHE 20 -0.777 1.100 7.329 157 HA PHE 20 HA PHE 20 1.702 -0.472 7.448 158 1HB PHE 20 1HB PHE 20 0.629 -2.056 5.824 159 2HB PHE 20 2HB PHE 20 -0.092 -2.066 7.426 160 HD1 PHE 20 HD1 PHE 20 -0.590 -1.251 3.904 161 HD2 PHE 20 HD2 PHE 20 -2.325 -1.188 7.790 162 HE1 PHE 20 HE1 PHE 20 -2.807 -0.879 2.905 163 HE2 PHE 20 HE2 PHE 20 -4.542 -0.816 6.797 164 HZ PHE 20 HZ PHE 20 -4.787 -0.662 4.351 165 H ASP 21 H ASP 21 2.920 -0.559 5.528 166 HA ASP 21 HA ASP 21 2.522 1.824 3.879 167 1HB ASP 21 1HB ASP 21 4.913 -0.020 4.107 168 2HB ASP 21 2HB ASP 21 4.853 1.457 3.151 169 H VAL 22 H VAL 22 1.473 1.581 2.032 170 HA VAL 22 HA VAL 22 1.470 -0.981 0.664 171 HB VAL 22 HB VAL 22 0.144 1.610 -0.167 172 1HG1 VAL 22 1HG1 VAL 22 -1.234 0.177 -1.603 173 2HG1 VAL 22 2HG1 VAL 22 0.476 0.075 -2.024 174 3HG1 VAL 22 3HG1 VAL 22 -0.284 -1.225 -1.106 175 1HG2 VAL 22 1HG2 VAL 22 -1.926 0.631 0.710 176 2HG2 VAL 22 2HG2 VAL 22 -1.011 -0.752 1.312 177 3HG2 VAL 22 3HG2 VAL 22 -0.721 0.855 1.978 178 H PHE 23 H PHE 23 3.457 -1.304 -0.208 179 HA PHE 23 HA PHE 23 4.766 0.797 -1.713 180 1HB PHE 23 1HB PHE 23 5.514 -2.105 -1.289 181 2HB PHE 23 2HB PHE 23 6.505 -0.931 -2.148 182 HD1 PHE 23 HD1 PHE 23 6.656 1.387 -0.615 183 HD2 PHE 23 HD2 PHE 23 6.330 -2.620 0.773 184 HE1 PHE 23 HE1 PHE 23 7.728 2.037 1.500 185 HE2 PHE 23 HE2 PHE 23 7.401 -1.976 2.893 186 HZ PHE 23 HZ PHE 23 8.101 0.355 3.258 187 H THR 24 H THR 24 4.229 1.229 -3.727 188 HA THR 24 HA THR 24 3.319 -0.982 -5.437 189 HB THR 24 HB THR 24 1.826 0.798 -6.547 190 HG1 THR 24 HG1 THR 24 2.238 2.000 -3.989 191 1HG2 THR 24 1HG2 THR 24 -0.005 0.369 -4.973 192 2HG2 THR 24 2HG2 THR 24 0.936 -1.091 -5.279 193 3HG2 THR 24 3HG2 THR 24 1.158 -0.197 -3.775 194 H ASP 25 H ASP 25 4.093 -1.027 -7.472 195 HA ASP 25 HA ASP 25 6.127 0.848 -8.280 196 1HB ASP 25 1HB ASP 25 6.369 -1.501 -8.887 197 2HB ASP 25 2HB ASP 25 4.830 -1.469 -9.741 198 H VAL 26 H VAL 26 2.797 0.119 -9.040 199 HA VAL 26 HA VAL 26 2.397 1.868 -11.187 200 HB VAL 26 HB VAL 26 0.392 1.148 -9.034 201 1HG1 VAL 26 1HG1 VAL 26 -0.010 2.042 -11.887 202 2HG1 VAL 26 2HG1 VAL 26 -1.284 1.564 -10.765 203 3HG1 VAL 26 3HG1 VAL 26 -0.321 3.007 -10.443 204 1HG2 VAL 26 1HG2 VAL 26 -0.292 -0.680 -10.519 205 2HG2 VAL 26 2HG2 VAL 26 1.034 -0.282 -11.613 206 3HG2 VAL 26 3HG2 VAL 26 1.379 -0.865 -9.985 207 H ARG 27 H ARG 27 2.481 4.007 -11.263 208 HA ARG 27 HA ARG 27 2.830 5.423 -8.739 209 1HB ARG 27 1HB ARG 27 3.763 7.255 -10.159 210 2HB ARG 27 2HB ARG 27 4.659 5.751 -10.220 211 1HG ARG 27 1HG ARG 27 2.666 6.538 -12.324 212 2HG ARG 27 2HG ARG 27 4.366 6.995 -12.393 213 1HD ARG 27 1HD ARG 27 3.190 4.223 -12.448 214 2HD ARG 27 2HD ARG 27 4.093 5.038 -13.722 215 HE ARG 27 HE ARG 27 5.232 3.990 -11.212 216 1HH1 ARG 27 1HH1 ARG 27 5.605 5.105 -14.510 217 2HH1 ARG 27 2HH1 ARG 27 7.274 4.625 -14.622 218 1HH2 ARG 27 1HH2 ARG 27 7.419 3.318 -11.364 219 2HH2 ARG 27 2HH2 ARG 27 8.302 3.606 -12.827 220 H ASP 28 H ASP 28 0.251 4.660 -9.472 221 HA ASP 28 HA ASP 28 -1.063 7.190 -10.166 222 1HB ASP 28 1HB ASP 28 -1.742 5.165 -11.434 223 2HB ASP 28 2HB ASP 28 -2.240 4.409 -9.925 224 H ASP 29 H ASP 29 -2.814 7.940 -8.833 225 HA ASP 29 HA ASP 29 -2.266 7.560 -6.006 226 1HB ASP 29 1HB ASP 29 -2.546 9.830 -6.823 227 2HB ASP 29 2HB ASP 29 -4.128 9.436 -7.483 228 H LYS 30 H LYS 30 -4.973 7.160 -8.242 229 HA LYS 30 HA LYS 30 -6.850 6.448 -6.220 230 1HB LYS 30 1HB LYS 30 -7.417 7.492 -8.426 231 2HB LYS 30 2HB LYS 30 -7.032 5.961 -9.197 232 1HG LYS 30 1HG LYS 30 -8.819 4.870 -7.957 233 2HG LYS 30 2HG LYS 30 -9.195 6.393 -7.147 234 1HD LYS 30 1HD LYS 30 -9.670 7.404 -9.356 235 2HD LYS 30 2HD LYS 30 -9.395 5.831 -10.105 236 1HE LYS 30 1HE LYS 30 -11.761 6.171 -9.818 237 2HE LYS 30 2HE LYS 30 -11.220 4.897 -8.727 238 1HZ LYS 30 1HZ LYS 30 -12.708 6.362 -7.573 239 2HZ LYS 30 2HZ LYS 30 -11.149 6.570 -6.938 240 3HZ LYS 30 3HZ LYS 30 -11.790 7.723 -8.004 241 H LYS 31 H LYS 31 -4.885 4.650 -8.537 242 HA LYS 31 HA LYS 31 -5.914 2.091 -8.055 243 1HB LYS 31 1HB LYS 31 -3.201 3.039 -8.947 244 2HB LYS 31 2HB LYS 31 -3.571 1.330 -8.773 245 1HG LYS 31 1HG LYS 31 -4.982 3.276 -10.586 246 2HG LYS 31 2HG LYS 31 -3.821 2.039 -11.075 247 1HD LYS 31 1HD LYS 31 -5.343 0.306 -10.188 248 2HD LYS 31 2HD LYS 31 -6.515 1.567 -9.798 249 1HE LYS 31 1HE LYS 31 -6.627 2.177 -12.170 250 2HE LYS 31 2HE LYS 31 -5.472 0.900 -12.549 251 1HZ LYS 31 1HZ LYS 31 -7.097 -0.696 -11.590 252 2HZ LYS 31 2HZ LYS 31 -8.217 0.570 -11.464 253 3HZ LYS 31 3HZ LYS 31 -7.649 0.088 -12.986 254 H ALA 32 H ALA 32 -3.402 3.909 -6.370 255 HA ALA 32 HA ALA 32 -2.467 1.872 -4.693 256 1HB ALA 32 1HB ALA 32 -1.334 4.021 -4.952 257 2HB ALA 32 2HB ALA 32 -2.663 4.826 -4.117 258 3HB ALA 32 3HB ALA 32 -1.653 3.667 -3.255 259 H ILE 33 H ILE 33 -5.022 4.273 -4.190 260 HA ILE 33 HA ILE 33 -5.823 3.417 -1.636 261 HB ILE 33 HB ILE 33 -7.426 4.794 -3.795 262 1HG1 ILE 33 1HG1 ILE 33 -5.993 5.918 -1.375 263 2HG1 ILE 33 2HG1 ILE 33 -5.397 6.004 -3.030 264 1HG2 ILE 33 1HG2 ILE 33 -8.944 5.468 -2.008 265 2HG2 ILE 33 2HG2 ILE 33 -8.873 3.712 -2.163 266 3HG2 ILE 33 3HG2 ILE 33 -8.010 4.515 -0.853 267 1HD1 ILE 33 1HD1 ILE 33 -7.937 7.255 -2.013 268 2HD1 ILE 33 2HD1 ILE 33 -6.419 8.096 -2.326 269 3HD1 ILE 33 3HD1 ILE 33 -7.311 7.362 -3.659 270 H GLU 34 H GLU 34 -6.804 2.444 -4.878 271 HA GLU 34 HA GLU 34 -8.924 0.749 -4.117 272 1HB GLU 34 1HB GLU 34 -8.594 1.525 -6.427 273 2HB GLU 34 2HB GLU 34 -7.122 0.570 -6.539 274 1HG GLU 34 1HG GLU 34 -8.393 -1.474 -6.291 275 2HG GLU 34 2HG GLU 34 -9.877 -0.548 -6.078 276 H PHE 35 H PHE 35 -5.471 0.155 -4.636 277 HA PHE 35 HA PHE 35 -5.575 -2.644 -4.272 278 1HB PHE 35 1HB PHE 35 -3.280 -0.714 -3.909 279 2HB PHE 35 2HB PHE 35 -3.111 -2.464 -3.857 280 HD1 PHE 35 HD1 PHE 35 -1.810 -0.388 -5.759 281 HD2 PHE 35 HD2 PHE 35 -5.181 -2.965 -6.105 282 HE1 PHE 35 HE1 PHE 35 -1.530 -0.419 -8.202 283 HE2 PHE 35 HE2 PHE 35 -4.904 -3.001 -8.550 284 HZ PHE 35 HZ PHE 35 -3.077 -1.728 -9.601 285 H ALA 36 H ALA 36 -5.092 0.020 -2.012 286 HA ALA 36 HA ALA 36 -4.495 -1.482 0.275 287 1HB ALA 36 1HB ALA 36 -4.289 0.957 0.173 288 2HB ALA 36 2HB ALA 36 -6.046 1.102 0.113 289 3HB ALA 36 3HB ALA 36 -5.264 0.445 1.550 290 H LYS 37 H LYS 37 -7.596 -0.581 -1.161 291 HA LYS 37 HA LYS 37 -9.151 -1.791 0.906 292 1HB LYS 37 1HB LYS 37 -9.828 -0.773 -1.843 293 2HB LYS 37 2HB LYS 37 -11.025 -1.556 -0.815 294 1HG LYS 37 1HG LYS 37 -10.475 0.132 0.942 295 2HG LYS 37 2HG LYS 37 -9.505 0.976 -0.262 296 1HD LYS 37 1HD LYS 37 -12.267 0.295 -1.057 297 2HD LYS 37 2HD LYS 37 -12.102 1.516 0.204 298 1HE LYS 37 1HE LYS 37 -12.201 2.545 -2.001 299 2HE LYS 37 2HE LYS 37 -10.635 2.824 -1.244 300 1HZ LYS 37 1HZ LYS 37 -9.715 1.040 -2.592 301 2HZ LYS 37 2HZ LYS 37 -11.222 0.786 -3.328 302 3HZ LYS 37 3HZ LYS 37 -10.393 2.249 -3.566 303 H GLN 38 H GLN 38 -7.731 -2.896 -2.058 304 HA GLN 38 HA GLN 38 -9.146 -5.297 -2.389 305 1HB GLN 38 1HB GLN 38 -6.242 -4.697 -2.988 306 2HB GLN 38 2HB GLN 38 -7.084 -6.147 -3.516 307 1HG GLN 38 1HG GLN 38 -7.780 -3.325 -4.291 308 2HG GLN 38 2HG GLN 38 -6.917 -4.491 -5.290 309 1HE2 GLN 38 2HE2 GLN 38 -8.582 -6.730 -4.419 310 2HE2 GLN 38 1HE2 GLN 38 -10.106 -6.530 -5.219 311 H TRP 39 H TRP 39 -6.268 -4.554 -0.462 312 HA TRP 39 HA TRP 39 -5.920 -7.163 0.570 313 1HB TRP 39 1HB TRP 39 -4.131 -5.486 0.618 314 2HB TRP 39 2HB TRP 39 -5.068 -4.503 1.736 315 HD1 TRP 39 HD1 TRP 39 -3.389 -7.997 1.628 316 HE1 TRP 39 HE1 TRP 39 -2.627 -8.591 4.019 317 HE3 TRP 39 HE3 TRP 39 -5.279 -3.942 4.105 318 HZ2 TRP 39 HZ2 TRP 39 -2.808 -7.479 6.604 319 HZ3 TRP 39 HZ3 TRP 39 -4.938 -3.783 6.536 320 HH2 TRP 39 HH2 TRP 39 -3.728 -5.517 7.759 321 H LEU 40 H LEU 40 -7.749 -4.355 1.680 322 HA LEU 40 HA LEU 40 -8.583 -5.400 4.154 323 1HB LEU 40 1HB LEU 40 -9.992 -3.464 2.314 324 2HB LEU 40 2HB LEU 40 -10.452 -3.778 3.977 325 HG LEU 40 HG LEU 40 -7.819 -2.593 3.092 326 1HD1 LEU 40 1HD1 LEU 40 -10.206 -1.309 4.409 327 2HD1 LEU 40 2HD1 LEU 40 -8.662 -0.526 4.073 328 3HD1 LEU 40 3HD1 LEU 40 -9.685 -1.066 2.742 329 1HD2 LEU 40 1HD2 LEU 40 -7.464 -2.171 5.472 330 2HD2 LEU 40 2HD2 LEU 40 -8.970 -3.007 5.849 331 3HD2 LEU 40 3HD2 LEU 40 -7.621 -3.897 5.145 332 H SER 41 H SER 41 -9.912 -5.710 0.898 333 HA SER 41 HA SER 41 -12.221 -7.173 1.615 334 1HB SER 41 1HB SER 41 -11.904 -6.092 -0.600 335 2HB SER 41 2HB SER 41 -10.651 -7.273 -0.978 336 HG SER 41 HG SER 41 -13.120 -8.273 -0.168 337 H SER 42 H SER 42 -8.909 -8.086 0.870 338 HA SER 42 HA SER 42 -9.224 -10.858 0.741 339 1HB SER 42 1HB SER 42 -7.175 -9.666 0.047 340 2HB SER 42 2HB SER 42 -6.828 -9.293 1.734 341 HG SER 42 HG SER 42 -7.039 -11.901 0.619 342 H ILE 43 H ILE 43 -8.538 -8.757 3.540 343 HA ILE 43 HA ILE 43 -8.460 -11.003 5.335 344 HB ILE 43 HB ILE 43 -8.302 -9.319 7.142 345 1HG1 ILE 43 1HG1 ILE 43 -8.402 -7.324 4.866 346 2HG1 ILE 43 2HG1 ILE 43 -9.650 -7.544 6.089 347 1HG2 ILE 43 1HG2 ILE 43 -6.302 -10.176 6.067 348 2HG2 ILE 43 2HG2 ILE 43 -6.415 -8.932 4.821 349 3HG2 ILE 43 3HG2 ILE 43 -6.088 -8.479 6.494 350 1HD1 ILE 43 1HD1 ILE 43 -8.068 -6.840 7.815 351 2HD1 ILE 43 2HD1 ILE 43 -6.834 -6.603 6.578 352 3HD1 ILE 43 3HD1 ILE 43 -8.287 -5.604 6.576 353 H GLY 44 H GLY 44 -10.974 -9.172 3.985 354 1HA GLY 44 1HA GLY 44 -13.193 -10.045 4.192 355 2HA GLY 44 2HA GLY 44 -12.812 -10.536 5.832 356 H GLU 45 H GLU 45 -11.694 -7.409 5.199 357 HA GLU 45 HA GLU 45 -13.957 -6.287 6.686 358 1HB GLU 45 1HB GLU 45 -11.274 -5.056 6.022 359 2HB GLU 45 2HB GLU 45 -12.511 -4.329 7.037 360 1HG GLU 45 1HG GLU 45 -10.911 -6.810 7.606 361 2HG GLU 45 2HG GLU 45 -10.825 -5.261 8.442 362 H GLU 46 H GLU 46 -13.072 -6.754 3.592 363 HA GLU 46 HA GLU 46 -13.801 -6.035 1.585 364 1HB GLU 46 1HB GLU 46 -15.713 -4.334 3.184 365 2HB GLU 46 2HB GLU 46 -15.798 -4.599 1.448 366 1HG GLU 46 1HG GLU 46 -15.980 -7.065 1.970 367 2HG GLU 46 2HG GLU 46 -16.226 -6.588 3.650 368 H GLY 47 H GLY 47 -14.240 -3.007 3.399 369 1HA GLY 47 1HA GLY 47 -11.876 -1.769 2.578 370 2HA GLY 47 2HA GLY 47 -13.092 -1.444 1.352 371 H ALA 48 H ALA 48 -11.913 -0.668 4.452 372 HA ALA 48 HA ALA 48 -14.143 0.794 5.427 373 1HB ALA 48 1HB ALA 48 -12.362 -0.007 6.901 374 2HB ALA 48 2HB ALA 48 -11.216 1.071 6.103 375 3HB ALA 48 3HB ALA 48 -12.559 1.742 7.027 376 H THR 49 H THR 49 -13.445 3.293 6.019 377 HA THR 49 HA THR 49 -13.608 4.647 3.520 378 HB THR 49 HB THR 49 -13.063 5.899 6.218 379 HG1 THR 49 HG1 THR 49 -15.292 4.600 5.237 380 1HG2 THR 49 1HG2 THR 49 -12.792 7.395 4.295 381 2HG2 THR 49 2HG2 THR 49 -14.401 6.958 3.722 382 3HG2 THR 49 3HG2 THR 49 -14.214 7.834 5.241 383 H VAL 50 H VAL 50 -11.730 4.121 2.389 384 HA VAL 50 HA VAL 50 -9.206 5.125 3.498 385 HB VAL 50 HB VAL 50 -9.628 3.342 1.089 386 1HG1 VAL 50 1HG1 VAL 50 -7.101 4.122 2.542 387 2HG1 VAL 50 2HG1 VAL 50 -7.213 2.978 1.205 388 3HG1 VAL 50 3HG1 VAL 50 -7.592 4.681 0.943 389 1HG2 VAL 50 1HG2 VAL 50 -8.757 1.541 2.494 390 2HG2 VAL 50 2HG2 VAL 50 -8.694 2.642 3.872 391 3HG2 VAL 50 3HG2 VAL 50 -10.248 2.208 3.158 392 H THR 51 H THR 51 -8.923 7.181 3.009 393 HA THR 51 HA THR 51 -9.562 8.130 0.301 394 HB THR 51 HB THR 51 -9.333 10.402 1.287 395 HG1 THR 51 HG1 THR 51 -9.406 10.261 3.761 396 1HG2 THR 51 1HG2 THR 51 -11.381 10.348 2.645 397 2HG2 THR 51 2HG2 THR 51 -11.543 9.355 1.198 398 3HG2 THR 51 3HG2 THR 51 -11.255 8.592 2.761 399 H SER 52 H SER 52 -7.885 10.196 -0.051 400 HA SER 52 HA SER 52 -5.256 8.983 -0.194 401 1HB SER 52 1HB SER 52 -6.302 10.425 -2.028 402 2HB SER 52 2HB SER 52 -6.022 11.807 -0.973 403 HG SER 52 HG SER 52 -4.221 10.275 -2.435 404 H GLU 53 H GLU 53 -7.052 10.751 1.984 405 HA GLU 53 HA GLU 53 -4.826 11.989 3.361 406 1HB GLU 53 1HB GLU 53 -6.957 13.122 3.430 407 2HB GLU 53 2HB GLU 53 -7.761 11.677 4.023 408 1HG GLU 53 1HG GLU 53 -7.424 13.393 5.751 409 2HG GLU 53 2HG GLU 53 -6.655 11.856 6.137 410 H GLU 54 H GLU 54 -6.978 9.213 3.717 411 HA GLU 54 HA GLU 54 -5.711 8.213 6.079 412 1HB GLU 54 1HB GLU 54 -7.518 6.849 4.075 413 2HB GLU 54 2HB GLU 54 -7.016 6.151 5.607 414 1HG GLU 54 1HG GLU 54 -8.586 8.704 5.321 415 2HG GLU 54 2HG GLU 54 -9.287 7.121 5.654 416 H CYS 55 H CYS 55 -5.584 7.338 2.631 417 HA CYS 55 HA CYS 55 -3.189 5.729 3.128 418 1HB CYS 55 1HB CYS 55 -5.081 4.925 1.619 419 2HB CYS 55 2HB CYS 55 -4.598 6.184 0.488 420 HG CYS 55 HG CYS 55 -2.889 3.371 1.371 421 H ARG 56 H ARG 56 -1.507 7.093 3.422 422 HA ARG 56 HA ARG 56 -1.508 9.618 1.944 423 1HB ARG 56 1HB ARG 56 -1.426 9.522 4.460 424 2HB ARG 56 2HB ARG 56 0.179 8.824 4.315 425 1HG ARG 56 1HG ARG 56 1.051 10.811 3.364 426 2HG ARG 56 2HG ARG 56 -0.564 11.497 3.159 427 1HD ARG 56 1HD ARG 56 0.823 10.893 5.767 428 2HD ARG 56 2HD ARG 56 0.511 12.490 5.087 429 HE ARG 56 HE ARG 56 -1.959 11.512 5.241 430 1HH1 ARG 56 1HH1 ARG 56 0.626 11.527 7.613 431 2HH1 ARG 56 2HH1 ARG 56 -0.464 11.501 8.972 432 1HH2 ARG 56 1HH2 ARG 56 -3.374 11.497 7.018 433 2HH2 ARG 56 2HH2 ARG 56 -2.725 11.472 8.634 434 H PHE 57 H PHE 57 0.044 10.187 0.543 435 HA PHE 57 HA PHE 57 2.066 8.194 -0.122 436 1HB PHE 57 1HB PHE 57 0.801 9.069 -1.992 437 2HB PHE 57 2HB PHE 57 1.188 10.723 -1.532 438 HD1 PHE 57 HD1 PHE 57 2.900 11.788 -2.629 439 HD2 PHE 57 HD2 PHE 57 2.909 7.536 -2.431 440 HE1 PHE 57 HE1 PHE 57 4.898 11.729 -4.063 441 HE2 PHE 57 HE2 PHE 57 4.905 7.471 -3.865 442 HZ PHE 57 HZ PHE 57 5.903 9.569 -4.682 443 H CYS 58 H CYS 58 3.834 8.330 1.127 444 HA CYS 58 HA CYS 58 4.834 10.869 2.038 445 1HB CYS 58 1HB CYS 58 5.842 8.044 2.283 446 2HB CYS 58 2HB CYS 58 6.796 9.418 2.833 447 HG CYS 58 HG CYS 58 3.908 8.167 4.120 448 H HIS 59 H HIS 59 6.406 8.315 0.075 449 HA HIS 59 HA HIS 59 7.171 10.151 -1.955 450 1HB HIS 59 1HB HIS 59 9.628 10.043 -1.619 451 2HB HIS 59 2HB HIS 59 8.807 10.924 -0.341 452 HD1 HIS 59 HD1 HIS 59 10.148 10.525 1.700 453 HD2 HIS 59 HD2 HIS 59 9.614 7.037 -0.502 454 HE1 HIS 59 HE1 HIS 59 11.197 8.686 3.066 455 HE2 HIS 59 HE2 HIS 59 10.747 6.565 1.770 456 H SER 60 H SER 60 9.070 9.045 -3.292 457 HA SER 60 HA SER 60 8.445 6.166 -3.471 458 1HB SER 60 1HB SER 60 9.475 7.923 -5.709 459 2HB SER 60 2HB SER 60 8.777 6.307 -5.836 460 HG SER 60 HG SER 60 7.500 8.763 -5.305 461 H GLU 61 H GLU 61 10.109 4.945 -2.766 462 HA GLU 61 HA GLU 61 12.798 6.132 -2.933 463 1HB GLU 61 1HB GLU 61 13.332 4.975 -0.806 464 2HB GLU 61 2HB GLU 61 12.084 6.200 -0.638 465 1HG GLU 61 1HG GLU 61 10.373 4.444 -0.664 466 2HG GLU 61 2HG GLU 61 11.642 3.226 -0.791 467 H LYS 62 H LYS 62 14.393 4.171 -2.205 468 HA LYS 62 HA LYS 62 14.468 2.577 -4.556 469 1HB LYS 62 1HB LYS 62 16.167 2.333 -2.061 470 2HB LYS 62 2HB LYS 62 16.527 1.635 -3.632 471 1HG LYS 62 1HG LYS 62 17.888 3.502 -3.560 472 2HG LYS 62 2HG LYS 62 16.495 4.069 -4.480 473 1HD LYS 62 1HD LYS 62 15.575 5.096 -2.461 474 2HD LYS 62 2HD LYS 62 16.953 4.514 -1.529 475 1HE LYS 62 1HE LYS 62 17.297 6.829 -2.064 476 2HE LYS 62 2HE LYS 62 18.446 5.855 -2.977 477 1HZ LYS 62 1HZ LYS 62 15.892 6.899 -4.082 478 2HZ LYS 62 2HZ LYS 62 17.400 7.645 -4.285 479 3HZ LYS 62 3HZ LYS 62 17.122 6.106 -4.940 480 H ALA 63 H ALA 63 14.172 0.383 -4.804 481 HA ALA 63 HA ALA 63 12.629 -0.875 -2.639 482 1HB ALA 63 1HB ALA 63 12.509 -1.444 -5.595 483 2HB ALA 63 2HB ALA 63 11.485 -2.152 -4.346 484 3HB ALA 63 3HB ALA 63 11.379 -0.428 -4.702 485 HA PRO 64 HA PRO 64 16.014 -3.860 -2.588 486 1HB PRO 64 1HB PRO 64 14.624 -4.985 -0.294 487 2HB PRO 64 2HB PRO 64 16.201 -4.195 -0.354 488 1HG PRO 64 1HG PRO 64 14.027 -3.099 0.867 489 2HG PRO 64 2HG PRO 64 15.335 -2.139 0.155 490 1HD PRO 64 1HD PRO 64 12.627 -2.772 -0.950 491 2HD PRO 64 2HD PRO 64 13.549 -1.255 -1.023 492 H ASP 65 H ASP 65 16.076 -6.169 -2.854 493 HA ASP 65 HA ASP 65 14.205 -7.162 -4.653 494 1HB ASP 65 1HB ASP 65 16.453 -8.050 -4.552 495 2HB ASP 65 2HB ASP 65 16.178 -8.665 -2.926 496 H GLU 66 H GLU 66 14.179 -7.219 -1.214 497 HA GLU 66 HA GLU 66 12.515 -9.279 -0.516 498 1HB GLU 66 1HB GLU 66 12.195 -6.486 0.579 499 2HB GLU 66 2HB GLU 66 11.907 -8.008 1.409 500 1HG GLU 66 1HG GLU 66 14.587 -6.965 0.523 501 2HG GLU 66 2HG GLU 66 13.953 -6.933 2.168 502 H VAL 67 H VAL 67 11.552 -6.060 -1.681 503 HA VAL 67 HA VAL 67 8.760 -6.910 -1.744 504 HB VAL 67 HB VAL 67 8.204 -4.579 -2.193 505 1HG1 VAL 67 1HG1 VAL 67 8.975 -3.599 -0.082 506 2HG1 VAL 67 2HG1 VAL 67 8.444 -5.268 0.122 507 3HG1 VAL 67 3HG1 VAL 67 10.166 -4.891 0.075 508 1HG2 VAL 67 1HG2 VAL 67 9.947 -2.841 -2.183 509 2HG2 VAL 67 2HG2 VAL 67 11.183 -4.099 -2.167 510 3HG2 VAL 67 3HG2 VAL 67 10.106 -3.938 -3.554 511 H ILE 68 H ILE 68 11.434 -6.442 -3.841 512 HA ILE 68 HA ILE 68 10.256 -5.749 -6.254 513 HB ILE 68 HB ILE 68 12.587 -7.621 -5.800 514 1HG1 ILE 68 1HG1 ILE 68 12.962 -5.408 -4.849 515 2HG1 ILE 68 2HG1 ILE 68 13.966 -5.634 -6.277 516 1HG2 ILE 68 1HG2 ILE 68 13.243 -7.108 -8.101 517 2HG2 ILE 68 2HG2 ILE 68 11.677 -7.919 -8.035 518 3HG2 ILE 68 3HG2 ILE 68 11.759 -6.179 -8.314 519 1HD1 ILE 68 1HD1 ILE 68 12.385 -4.312 -7.588 520 2HD1 ILE 68 2HD1 ILE 68 11.398 -4.077 -6.144 521 3HD1 ILE 68 3HD1 ILE 68 13.028 -3.409 -6.215 522 H GLU 69 H GLU 69 11.021 -9.055 -5.157 523 HA GLU 69 HA GLU 69 9.747 -10.374 -7.264 524 1HB GLU 69 1HB GLU 69 10.867 -11.100 -4.658 525 2HB GLU 69 2HB GLU 69 9.570 -12.159 -5.192 526 1HG GLU 69 1HG GLU 69 11.987 -11.475 -6.844 527 2HG GLU 69 2HG GLU 69 11.833 -12.920 -5.844 528 H ALA 70 H ALA 70 8.445 -9.071 -4.302 529 HA ALA 70 HA ALA 70 6.009 -10.557 -4.375 530 1HB ALA 70 1HB ALA 70 5.262 -9.048 -2.615 531 2HB ALA 70 2HB ALA 70 6.891 -9.641 -2.291 532 3HB ALA 70 3HB ALA 70 6.654 -8.005 -2.907 533 H ILE 71 H ILE 71 6.815 -7.172 -5.125 534 HA ILE 71 HA ILE 71 4.192 -6.473 -5.944 535 HB ILE 71 HB ILE 71 6.833 -5.139 -6.588 536 1HG1 ILE 71 1HG1 ILE 71 4.803 -4.512 -4.435 537 2HG1 ILE 71 2HG1 ILE 71 6.323 -5.357 -4.166 538 1HG2 ILE 71 1HG2 ILE 71 5.507 -3.125 -7.022 539 2HG2 ILE 71 2HG2 ILE 71 5.095 -4.430 -8.136 540 3HG2 ILE 71 3HG2 ILE 71 4.027 -4.054 -6.783 541 1HD1 ILE 71 1HD1 ILE 71 6.030 -2.532 -5.159 542 2HD1 ILE 71 2HD1 ILE 71 6.475 -3.021 -3.524 543 3HD1 ILE 71 3HD1 ILE 71 7.552 -3.376 -4.874 544 H LYS 72 H LYS 72 6.987 -7.723 -7.668 545 HA LYS 72 HA LYS 72 5.930 -7.266 -10.276 546 1HB LYS 72 1HB LYS 72 8.090 -9.110 -9.260 547 2HB LYS 72 2HB LYS 72 7.696 -8.921 -10.967 548 1HG LYS 72 1HG LYS 72 8.220 -6.561 -10.833 549 2HG LYS 72 2HG LYS 72 8.599 -6.725 -9.123 550 1HD LYS 72 1HD LYS 72 10.616 -6.708 -10.538 551 2HD LYS 72 2HD LYS 72 10.437 -8.208 -9.628 552 1HE LYS 72 1HE LYS 72 9.481 -9.276 -11.629 553 2HE LYS 72 2HE LYS 72 9.739 -7.782 -12.529 554 1HZ LYS 72 1HZ LYS 72 12.082 -7.992 -12.253 555 2HZ LYS 72 2HZ LYS 72 11.904 -9.313 -11.198 556 3HZ LYS 72 3HZ LYS 72 11.498 -9.475 -12.834 557 H GLN 73 H GLN 73 5.470 -9.672 -7.890 558 HA GLN 73 HA GLN 73 4.421 -11.625 -9.747 559 1HB GLN 73 1HB GLN 73 5.682 -12.410 -7.820 560 2HB GLN 73 2HB GLN 73 4.532 -11.647 -6.730 561 1HG GLN 73 1HG GLN 73 2.826 -13.171 -7.303 562 2HG GLN 73 2HG GLN 73 3.735 -13.781 -8.684 563 1HE2 GLN 73 2HE2 GLN 73 2.602 -15.170 -6.355 564 2HE2 GLN 73 1HE2 GLN 73 3.926 -16.015 -5.622 565 H ASN 74 H ASN 74 3.036 -9.808 -6.963 566 HA ASN 74 HA ASN 74 0.397 -10.538 -8.003 567 1HB ASN 74 1HB ASN 74 -0.522 -10.137 -5.877 568 2HB ASN 74 2HB ASN 74 1.021 -10.915 -5.559 569 1HD2 ASN 74 2HD2 ASN 74 2.592 -9.819 -4.472 570 2HD2 ASN 74 1HD2 ASN 74 2.342 -8.255 -3.769 571 H GLY 75 H GLY 75 2.287 -7.655 -7.157 572 1HA GLY 75 1HA GLY 75 1.772 -5.891 -8.958 573 2HA GLY 75 2HA GLY 75 0.137 -6.018 -8.330 574 H TYR 76 H TYR 76 1.086 -6.335 -5.545 575 HA TYR 76 HA TYR 76 2.337 -3.758 -5.004 576 1HB TYR 76 1HB TYR 76 0.442 -3.333 -3.281 577 2HB TYR 76 2HB TYR 76 0.150 -2.952 -4.972 578 HD1 TYR 76 HD1 TYR 76 -1.406 -4.260 -6.292 579 HD2 TYR 76 HD2 TYR 76 -0.706 -5.209 -2.202 580 HE1 TYR 76 HE1 TYR 76 -3.410 -5.681 -6.287 581 HE2 TYR 76 HE2 TYR 76 -2.713 -6.637 -2.190 582 HH TYR 76 HH TYR 76 -4.315 -7.560 -5.071 583 H PHE 77 H PHE 77 2.685 -3.465 -2.590 584 HA PHE 77 HA PHE 77 2.936 -6.057 -1.227 585 1HB PHE 77 1HB PHE 77 5.141 -5.372 -2.157 586 2HB PHE 77 2HB PHE 77 5.048 -3.889 -1.215 587 HD1 PHE 77 HD1 PHE 77 5.390 -7.547 -1.023 588 HD2 PHE 77 HD2 PHE 77 5.552 -3.872 1.113 589 HE1 PHE 77 HE1 PHE 77 6.441 -8.702 0.877 590 HE2 PHE 77 HE2 PHE 77 6.603 -5.020 3.018 591 HZ PHE 77 HZ PHE 77 7.051 -7.438 2.901 592 H ILE 78 H ILE 78 1.848 -6.017 0.602 593 HA ILE 78 HA ILE 78 1.280 -3.467 1.908 594 HB ILE 78 HB ILE 78 0.210 -6.226 2.534 595 1HG1 ILE 78 1HG1 ILE 78 -0.529 -5.459 0.331 596 2HG1 ILE 78 2HG1 ILE 78 -1.871 -5.447 1.470 597 1HG2 ILE 78 1HG2 ILE 78 0.182 -4.742 4.469 598 2HG2 ILE 78 2HG2 ILE 78 -0.673 -3.520 3.529 599 3HG2 ILE 78 3HG2 ILE 78 -1.455 -5.059 3.892 600 1HD1 ILE 78 1HD1 ILE 78 -1.636 -3.036 1.726 601 2HD1 ILE 78 2HD1 ILE 78 -0.279 -3.046 0.599 602 3HD1 ILE 78 3HD1 ILE 78 -1.893 -3.483 0.040 603 H TYR 79 H TYR 79 2.956 -2.853 3.148 604 HA TYR 79 HA TYR 79 4.547 -4.824 4.547 605 1HB TYR 79 1HB TYR 79 5.708 -2.973 3.503 606 2HB TYR 79 2HB TYR 79 4.745 -1.811 4.408 607 HD1 TYR 79 HD1 TYR 79 5.573 -0.956 6.409 608 HD2 TYR 79 HD2 TYR 79 7.140 -4.623 4.923 609 HE1 TYR 79 HE1 TYR 79 7.246 -0.966 8.210 610 HE2 TYR 79 HE2 TYR 79 8.816 -4.639 6.718 611 HH TYR 79 HH TYR 79 8.637 -2.603 9.420 612 H LYS 80 H LYS 80 3.776 -5.637 6.375 613 HA LYS 80 HA LYS 80 2.142 -4.202 8.216 614 1HB LYS 80 1HB LYS 80 3.699 -6.776 8.392 615 2HB LYS 80 2HB LYS 80 2.855 -6.117 9.785 616 1HG LYS 80 1HG LYS 80 1.498 -6.720 7.169 617 2HG LYS 80 2HG LYS 80 1.617 -7.875 8.500 618 1HD LYS 80 1HD LYS 80 0.505 -6.204 9.969 619 2HD LYS 80 2HD LYS 80 0.283 -5.169 8.558 620 1HE LYS 80 1HE LYS 80 -1.725 -6.506 9.134 621 2HE LYS 80 2HE LYS 80 -1.120 -6.809 7.506 622 1HZ LYS 80 1HZ LYS 80 -0.333 -8.538 9.774 623 2HZ LYS 80 2HZ LYS 80 -1.780 -8.804 8.923 624 3HZ LYS 80 3HZ LYS 80 -0.295 -8.874 8.112 625 H MET 81 H MET 81 3.050 -2.326 8.919 626 HA MET 81 HA MET 81 5.744 -1.900 9.470 627 1HB MET 81 1HB MET 81 4.189 -0.058 9.173 628 2HB MET 81 2HB MET 81 3.323 -0.516 10.631 629 1HG MET 81 1HG MET 81 5.154 0.105 12.012 630 2HG MET 81 2HG MET 81 6.211 0.314 10.618 631 1HE MET 81 1HE MET 81 6.096 2.297 8.943 632 2HE MET 81 2HE MET 81 4.799 3.491 8.914 633 3HE MET 81 3HE MET 81 4.453 1.800 8.542 634 H GLU 82 H GLU 82 3.122 -2.423 11.821 635 HA GLU 82 HA GLU 82 4.503 -4.389 13.280 636 1HB GLU 82 1HB GLU 82 5.835 -2.320 13.935 637 2HB GLU 82 2HB GLU 82 4.384 -1.746 14.743 638 1HG GLU 82 1HG GLU 82 5.288 -4.466 15.447 639 2HG GLU 82 2HG GLU 82 6.320 -3.135 15.965 640 H GLY 83 H GLY 83 2.276 -1.667 13.668 641 1HA GLY 83 1HA GLY 83 0.632 -2.705 15.637 642 2HA GLY 83 2HA GLY 83 0.132 -1.527 14.437 643 H CYS 84 H CYS 84 -0.282 -4.622 15.620 644 HA CYS 84 HA CYS 84 -2.269 -5.154 13.542 645 1HB CYS 84 1HB CYS 84 -0.267 -7.213 14.514 646 2HB CYS 84 2HB CYS 84 -1.610 -7.526 13.420 647 HG CYS 84 HG CYS 84 0.174 -5.080 12.191 648 H ASN 85 H ASN 85 -0.856 -6.359 16.580 649 HA ASN 85 HA ASN 85 -3.516 -6.317 17.762 650 1HB ASN 85 1HB ASN 85 -2.943 -8.579 18.882 651 2HB ASN 85 2HB ASN 85 -3.536 -8.583 17.230 652 1HD2 ASN 85 2HD2 ASN 85 -0.260 -7.834 18.352 653 2HD2 ASN 85 1HD2 ASN 85 0.504 -9.166 17.536 Start of MODEL 19 1 H MET 1 H MET 1 14.691 0.311 -11.339 2 HA MET 1 HA MET 1 12.384 0.815 -10.758 3 1HB MET 1 1HB MET 1 13.237 -1.513 -10.844 4 2HB MET 1 2HB MET 1 13.635 -1.413 -9.134 5 1HG MET 1 1HG MET 1 11.554 -2.608 -9.489 6 2HG MET 1 2HG MET 1 11.283 -1.114 -8.590 7 1HE MET 1 1HE MET 1 7.994 -1.437 -10.685 8 2HE MET 1 2HE MET 1 8.684 -1.250 -9.072 9 3HE MET 1 3HE MET 1 8.920 -2.752 -9.964 10 H GLN 2 H GLN 2 11.310 2.191 -9.521 11 HA GLN 2 HA GLN 2 12.081 2.417 -6.682 12 1HB GLN 2 1HB GLN 2 10.700 4.475 -8.414 13 2HB GLN 2 2HB GLN 2 11.166 4.684 -6.732 14 1HG GLN 2 1HG GLN 2 13.512 4.500 -7.348 15 2HG GLN 2 2HG GLN 2 13.055 4.259 -9.035 16 1HE2 GLN 2 2HE2 GLN 2 13.359 6.532 -6.443 17 2HE2 GLN 2 1HE2 GLN 2 13.102 7.955 -7.395 18 H ILE 3 H ILE 3 10.478 2.409 -5.130 19 HA ILE 3 HA ILE 3 7.832 1.534 -6.083 20 HB ILE 3 HB ILE 3 7.508 0.542 -3.838 21 1HG1 ILE 3 1HG1 ILE 3 10.451 1.114 -3.426 22 2HG1 ILE 3 2HG1 ILE 3 9.156 2.043 -2.682 23 1HG2 ILE 3 1HG2 ILE 3 8.254 -0.844 -5.682 24 2HG2 ILE 3 2HG2 ILE 3 9.934 -0.436 -5.333 25 3HG2 ILE 3 3HG2 ILE 3 8.996 -1.378 -4.173 26 1HD1 ILE 3 1HD1 ILE 3 8.395 0.043 -1.515 27 2HD1 ILE 3 2HD1 ILE 3 9.695 -0.886 -2.263 28 3HD1 ILE 3 3HD1 ILE 3 10.075 0.419 -1.139 29 H HIS 4 H HIS 4 5.987 2.383 -5.151 30 HA HIS 4 HA HIS 4 6.289 5.033 -3.983 31 1HB HIS 4 1HB HIS 4 3.993 3.469 -5.122 32 2HB HIS 4 2HB HIS 4 3.688 4.873 -4.108 33 HD1 HIS 4 HD1 HIS 4 2.714 6.316 -5.940 34 HD2 HIS 4 HD2 HIS 4 6.518 4.882 -6.822 35 HE1 HIS 4 HE1 HIS 4 3.468 7.596 -7.966 36 HE2 HIS 4 HE2 HIS 4 5.850 6.865 -8.347 37 H VAL 5 H VAL 5 6.279 5.335 -1.865 38 HA VAL 5 HA VAL 5 5.313 3.180 -0.136 39 HB VAL 5 HB VAL 5 6.849 5.677 0.614 40 1HG1 VAL 5 1HG1 VAL 5 6.269 3.163 2.178 41 2HG1 VAL 5 2HG1 VAL 5 7.301 4.490 2.712 42 3HG1 VAL 5 3HG1 VAL 5 5.576 4.759 2.469 43 1HG2 VAL 5 1HG2 VAL 5 7.848 2.866 0.162 44 2HG2 VAL 5 2HG2 VAL 5 8.174 4.266 -0.860 45 3HG2 VAL 5 3HG2 VAL 5 8.807 4.208 0.786 46 H TYR 6 H TYR 6 3.184 3.333 0.267 47 HA TYR 6 HA TYR 6 2.089 5.990 0.901 48 1HB TYR 6 1HB TYR 6 0.706 3.483 -0.064 49 2HB TYR 6 2HB TYR 6 -0.153 4.909 0.502 50 HD1 TYR 6 HD1 TYR 6 1.794 3.454 -2.216 51 HD2 TYR 6 HD2 TYR 6 -0.137 6.976 -0.815 52 HE1 TYR 6 HE1 TYR 6 1.911 4.412 -4.475 53 HE2 TYR 6 HE2 TYR 6 -0.022 7.944 -3.072 54 HH TYR 6 HH TYR 6 1.087 7.745 -5.111 55 H ASP 7 H ASP 7 2.321 6.265 3.035 56 HA ASP 7 HA ASP 7 1.871 4.217 4.983 57 1HB ASP 7 1HB ASP 7 3.296 6.156 5.485 58 2HB ASP 7 2HB ASP 7 1.926 7.236 5.263 59 H THR 8 H THR 8 -0.086 3.347 5.228 60 HA THR 8 HA THR 8 -2.407 5.025 4.579 61 HB THR 8 HB THR 8 -2.287 2.009 4.612 62 HG1 THR 8 HG1 THR 8 -0.878 3.170 3.035 63 1HG2 THR 8 1HG2 THR 8 -4.541 2.966 4.806 64 2HG2 THR 8 2HG2 THR 8 -4.251 3.944 3.367 65 3HG2 THR 8 3HG2 THR 8 -4.314 2.185 3.241 66 H TYR 9 H TYR 9 -3.584 5.703 6.199 67 HA TYR 9 HA TYR 9 -3.608 4.340 8.760 68 1HB TYR 9 1HB TYR 9 -4.742 6.903 7.696 69 2HB TYR 9 2HB TYR 9 -5.393 6.223 9.179 70 HD1 TYR 9 HD1 TYR 9 -1.961 6.811 7.758 71 HD2 TYR 9 HD2 TYR 9 -4.601 7.200 11.071 72 HE1 TYR 9 HE1 TYR 9 -0.179 7.915 9.047 73 HE2 TYR 9 HE2 TYR 9 -2.828 8.294 12.366 74 HH TYR 9 HH TYR 9 0.041 9.447 10.962 75 H VAL 10 H VAL 10 -4.750 2.432 8.611 76 HA VAL 10 HA VAL 10 -7.516 2.680 7.632 77 HB VAL 10 HB VAL 10 -5.840 0.192 8.029 78 1HG1 VAL 10 1HG1 VAL 10 -8.714 0.433 7.127 79 2HG1 VAL 10 2HG1 VAL 10 -7.757 -1.049 7.132 80 3HG1 VAL 10 3HG1 VAL 10 -8.161 -0.254 8.654 81 1HG2 VAL 10 1HG2 VAL 10 -6.109 -0.046 5.600 82 2HG2 VAL 10 2HG2 VAL 10 -6.995 1.478 5.555 83 3HG2 VAL 10 3HG2 VAL 10 -5.294 1.460 6.022 84 H LYS 11 H LYS 11 -8.864 3.154 9.188 85 HA LYS 11 HA LYS 11 -8.278 2.478 11.935 86 1HB LYS 11 1HB LYS 11 -10.714 3.855 10.791 87 2HB LYS 11 2HB LYS 11 -10.241 3.802 12.482 88 1HG LYS 11 1HG LYS 11 -8.230 5.104 11.947 89 2HG LYS 11 2HG LYS 11 -8.749 5.186 10.262 90 1HD LYS 11 1HD LYS 11 -10.849 6.282 11.030 91 2HD LYS 11 2HD LYS 11 -10.181 6.318 12.662 92 1HE LYS 11 1HE LYS 11 -8.295 7.668 11.838 93 2HE LYS 11 2HE LYS 11 -9.011 7.660 10.227 94 1HZ LYS 11 1HZ LYS 11 -10.108 8.910 12.683 95 2HZ LYS 11 2HZ LYS 11 -9.609 9.687 11.259 96 3HZ LYS 11 3HZ LYS 11 -11.007 8.722 11.256 97 H ALA 12 H ALA 12 -8.594 0.342 12.353 98 HA ALA 12 HA ALA 12 -10.924 -1.070 11.475 99 1HB ALA 12 1HB ALA 12 -10.217 -2.806 13.057 100 2HB ALA 12 2HB ALA 12 -8.872 -2.272 12.049 101 3HB ALA 12 3HB ALA 12 -9.001 -1.711 13.715 102 H LYS 13 H LYS 13 -12.749 -1.631 12.778 103 HA LYS 13 HA LYS 13 -13.753 0.646 14.104 104 1HB LYS 13 1HB LYS 13 -15.049 -1.161 12.842 105 2HB LYS 13 2HB LYS 13 -14.949 -2.108 14.321 106 1HG LYS 13 1HG LYS 13 -16.139 -0.385 15.539 107 2HG LYS 13 2HG LYS 13 -16.183 0.630 14.096 108 1HD LYS 13 1HD LYS 13 -17.495 -2.068 14.420 109 2HD LYS 13 2HD LYS 13 -18.313 -0.507 14.429 110 1HE LYS 13 1HE LYS 13 -16.795 -1.713 12.119 111 2HE LYS 13 2HE LYS 13 -18.547 -1.611 12.268 112 1HZ LYS 13 1HZ LYS 13 -18.226 0.873 12.374 113 2HZ LYS 13 2HZ LYS 13 -16.620 0.612 11.908 114 3HZ LYS 13 3HZ LYS 13 -17.883 0.149 10.879 115 H ASP 14 H ASP 14 -12.480 -2.411 15.314 116 HA ASP 14 HA ASP 14 -11.976 -1.117 17.874 117 1HB ASP 14 1HB ASP 14 -14.248 -2.414 17.866 118 2HB ASP 14 2HB ASP 14 -13.229 -3.848 17.927 119 H GLY 15 H GLY 15 -10.476 -2.135 15.533 120 1HA GLY 15 1HA GLY 15 -8.901 -4.244 16.873 121 2HA GLY 15 2HA GLY 15 -9.181 -4.220 15.139 122 H HIS 16 H HIS 16 -8.559 -1.288 16.898 123 HA HIS 16 HA HIS 16 -6.772 0.098 17.091 124 1HB HIS 16 1HB HIS 16 -5.441 -1.823 17.782 125 2HB HIS 16 2HB HIS 16 -5.175 -2.275 16.106 126 HD1 HIS 16 HD1 HIS 16 -4.279 0.481 18.551 127 HD2 HIS 16 HD2 HIS 16 -2.951 -1.168 14.970 128 HE1 HIS 16 HE1 HIS 16 -2.061 1.573 18.080 129 HE2 HIS 16 HE2 HIS 16 -1.196 0.434 16.003 130 H VAL 17 H VAL 17 -5.761 1.631 15.824 131 HA VAL 17 HA VAL 17 -6.515 1.714 13.065 132 HB VAL 17 HB VAL 17 -4.592 3.511 14.557 133 1HG1 VAL 17 1HG1 VAL 17 -6.032 3.919 11.934 134 2HG1 VAL 17 2HG1 VAL 17 -5.032 5.117 12.758 135 3HG1 VAL 17 3HG1 VAL 17 -4.303 3.635 12.136 136 1HG2 VAL 17 1HG2 VAL 17 -7.541 3.827 14.006 137 2HG2 VAL 17 2HG2 VAL 17 -6.799 3.524 15.577 138 3HG2 VAL 17 3HG2 VAL 17 -6.500 5.046 14.738 139 H MET 18 H MET 18 -5.545 0.542 11.576 140 HA MET 18 HA MET 18 -2.965 -0.635 12.081 141 1HB MET 18 1HB MET 18 -4.689 -0.831 9.605 142 2HB MET 18 2HB MET 18 -3.359 -1.893 10.046 143 1HG MET 18 1HG MET 18 -4.626 -2.648 12.003 144 2HG MET 18 2HG MET 18 -5.965 -1.608 11.523 145 1HE MET 18 1HE MET 18 -4.530 -5.302 9.168 146 2HE MET 18 2HE MET 18 -3.889 -4.815 10.739 147 3HE MET 18 3HE MET 18 -3.571 -3.830 9.311 148 H HIS 19 H HIS 19 -1.148 0.401 11.656 149 HA HIS 19 HA HIS 19 -1.068 2.299 9.410 150 1HB HIS 19 1HB HIS 19 1.000 1.858 11.580 151 2HB HIS 19 2HB HIS 19 1.014 3.130 10.366 152 HD1 HIS 19 HD1 HIS 19 -0.712 2.080 13.524 153 HD2 HIS 19 HD2 HIS 19 -0.507 5.366 10.979 154 HE1 HIS 19 HE1 HIS 19 -1.845 3.963 14.750 155 HE2 HIS 19 HE2 HIS 19 -1.458 5.991 13.307 156 H PHE 20 H PHE 20 -0.337 1.481 7.547 157 HA PHE 20 HA PHE 20 2.006 -0.233 7.628 158 1HB PHE 20 1HB PHE 20 1.010 -1.844 6.014 159 2HB PHE 20 2HB PHE 20 0.266 -1.885 7.603 160 HD1 PHE 20 HD1 PHE 20 -2.011 -1.119 7.928 161 HD2 PHE 20 HD2 PHE 20 -0.207 -1.100 4.076 162 HE1 PHE 20 HE1 PHE 20 -4.228 -0.875 6.894 163 HE2 PHE 20 HE2 PHE 20 -2.421 -0.851 3.036 164 HZ PHE 20 HZ PHE 20 -4.435 -0.739 4.445 165 H ASP 21 H ASP 21 3.212 -0.273 5.732 166 HA ASP 21 HA ASP 21 2.734 2.049 4.012 167 1HB ASP 21 1HB ASP 21 5.181 0.290 4.334 168 2HB ASP 21 2HB ASP 21 5.072 1.653 3.232 169 H VAL 22 H VAL 22 1.589 1.630 2.240 170 HA VAL 22 HA VAL 22 1.700 -0.977 0.975 171 HB VAL 22 HB VAL 22 0.371 1.502 -0.137 172 1HG1 VAL 22 1HG1 VAL 22 -1.038 -0.109 -1.323 173 2HG1 VAL 22 2HG1 VAL 22 0.667 -0.319 -1.722 174 3HG1 VAL 22 3HG1 VAL 22 -0.123 -1.436 -0.608 175 1HG2 VAL 22 1HG2 VAL 22 -0.486 1.114 2.109 176 2HG2 VAL 22 2HG2 VAL 22 -1.706 0.716 0.898 177 3HG2 VAL 22 3HG2 VAL 22 -0.812 -0.572 1.707 178 H PHE 23 H PHE 23 3.615 -1.362 0.028 179 HA PHE 23 HA PHE 23 4.969 0.711 -1.480 180 1HB PHE 23 1HB PHE 23 5.635 -2.235 -1.234 181 2HB PHE 23 2HB PHE 23 6.681 -0.984 -1.896 182 HD1 PHE 23 HD1 PHE 23 6.883 1.113 -0.135 183 HD2 PHE 23 HD2 PHE 23 6.227 -2.978 0.833 184 HE1 PHE 23 HE1 PHE 23 7.846 1.490 2.096 185 HE2 PHE 23 HE2 PHE 23 7.187 -2.608 3.066 186 HZ PHE 23 HZ PHE 23 7.998 -0.372 3.701 187 H THR 24 H THR 24 4.170 1.204 -3.421 188 HA THR 24 HA THR 24 2.942 -0.982 -4.978 189 HB THR 24 HB THR 24 1.993 1.858 -5.133 190 HG1 THR 24 HG1 THR 24 1.953 0.935 -2.898 191 1HG2 THR 24 1HG2 THR 24 -0.109 0.790 -5.795 192 2HG2 THR 24 2HG2 THR 24 1.219 0.298 -6.848 193 3HG2 THR 24 3HG2 THR 24 0.635 -0.796 -5.593 194 H ASP 25 H ASP 25 3.263 -1.011 -7.165 195 HA ASP 25 HA ASP 25 5.433 0.547 -8.254 196 1HB ASP 25 1HB ASP 25 5.344 -1.676 -9.040 197 2HB ASP 25 2HB ASP 25 3.611 -1.595 -9.333 198 H VAL 26 H VAL 26 1.953 0.385 -8.600 199 HA VAL 26 HA VAL 26 1.704 2.030 -10.869 200 HB VAL 26 HB VAL 26 -0.403 1.676 -8.745 201 1HG1 VAL 26 1HG1 VAL 26 -0.567 2.058 -11.728 202 2HG1 VAL 26 2HG1 VAL 26 -1.939 1.824 -10.645 203 3HG1 VAL 26 3HG1 VAL 26 -0.936 3.268 -10.497 204 1HG2 VAL 26 1HG2 VAL 26 -1.102 -0.357 -9.942 205 2HG2 VAL 26 2HG2 VAL 26 0.335 -0.235 -10.957 206 3HG2 VAL 26 3HG2 VAL 26 0.502 -0.520 -9.225 207 H ARG 27 H ARG 27 1.255 4.193 -11.112 208 HA ARG 27 HA ARG 27 1.876 5.885 -8.807 209 1HB ARG 27 1HB ARG 27 1.767 6.515 -11.760 210 2HB ARG 27 2HB ARG 27 2.155 7.685 -10.507 211 1HG ARG 27 1HG ARG 27 4.133 6.415 -9.904 212 2HG ARG 27 2HG ARG 27 3.733 5.195 -11.115 213 1HD ARG 27 1HD ARG 27 4.243 8.100 -11.731 214 2HD ARG 27 2HD ARG 27 5.464 6.834 -11.846 215 HE ARG 27 HE ARG 27 3.035 6.362 -13.365 216 1HH1 ARG 27 1HH1 ARG 27 6.255 7.748 -13.386 217 2HH1 ARG 27 2HH1 ARG 27 6.468 7.561 -15.102 218 1HH2 ARG 27 1HH2 ARG 27 3.313 6.104 -15.617 219 2HH2 ARG 27 2HH2 ARG 27 4.798 6.605 -16.373 220 H ASP 28 H ASP 28 -0.720 4.576 -9.343 221 HA ASP 28 HA ASP 28 -2.460 6.921 -9.665 222 1HB ASP 28 1HB ASP 28 -3.028 3.962 -9.906 223 2HB ASP 28 2HB ASP 28 -4.298 5.176 -9.858 224 H ASP 29 H ASP 29 -3.256 7.803 -7.874 225 HA ASP 29 HA ASP 29 -2.938 6.722 -5.297 226 1HB ASP 29 1HB ASP 29 -4.344 8.525 -4.509 227 2HB ASP 29 2HB ASP 29 -3.316 9.150 -5.793 228 H LYS 30 H LYS 30 -5.641 6.683 -7.552 229 HA LYS 30 HA LYS 30 -7.549 5.408 -5.967 230 1HB LYS 30 1HB LYS 30 -8.190 6.336 -8.086 231 2HB LYS 30 2HB LYS 30 -7.055 5.304 -8.945 232 1HG LYS 30 1HG LYS 30 -8.377 3.336 -8.265 233 2HG LYS 30 2HG LYS 30 -9.542 4.417 -7.498 234 1HD LYS 30 1HD LYS 30 -10.033 5.450 -9.632 235 2HD LYS 30 2HD LYS 30 -8.798 4.467 -10.420 236 1HE LYS 30 1HE LYS 30 -11.256 3.394 -9.041 237 2HE LYS 30 2HE LYS 30 -11.086 3.612 -10.782 238 1HZ LYS 30 1HZ LYS 30 -9.612 1.724 -9.034 239 2HZ LYS 30 2HZ LYS 30 -10.615 1.366 -10.343 240 3HZ LYS 30 3HZ LYS 30 -9.104 2.087 -10.610 241 H LYS 31 H LYS 31 -4.847 4.128 -7.800 242 HA LYS 31 HA LYS 31 -5.722 1.408 -7.632 243 1HB LYS 31 1HB LYS 31 -4.192 2.500 -9.409 244 2HB LYS 31 2HB LYS 31 -2.904 2.257 -8.237 245 1HG LYS 31 1HG LYS 31 -2.950 0.439 -9.822 246 2HG LYS 31 2HG LYS 31 -3.395 -0.145 -8.216 247 1HD LYS 31 1HD LYS 31 -5.761 -0.032 -8.833 248 2HD LYS 31 2HD LYS 31 -5.314 0.547 -10.438 249 1HE LYS 31 1HE LYS 31 -4.102 -1.540 -10.847 250 2HE LYS 31 2HE LYS 31 -4.568 -2.120 -9.248 251 1HZ LYS 31 1HZ LYS 31 -6.023 -3.029 -10.910 252 2HZ LYS 31 2HZ LYS 31 -6.903 -1.953 -9.935 253 3HZ LYS 31 3HZ LYS 31 -6.406 -1.484 -11.491 254 H ALA 32 H ALA 32 -3.369 3.420 -5.919 255 HA ALA 32 HA ALA 32 -2.286 1.422 -4.265 256 1HB ALA 32 1HB ALA 32 -1.608 3.254 -2.793 257 2HB ALA 32 2HB ALA 32 -1.298 3.651 -4.482 258 3HB ALA 32 3HB ALA 32 -2.687 4.352 -3.653 259 H ILE 33 H ILE 33 -4.978 3.675 -3.721 260 HA ILE 33 HA ILE 33 -5.854 2.675 -1.259 261 HB ILE 33 HB ILE 33 -7.430 3.945 -3.506 262 1HG1 ILE 33 1HG1 ILE 33 -6.374 5.108 -0.920 263 2HG1 ILE 33 2HG1 ILE 33 -5.646 5.342 -2.506 264 1HG2 ILE 33 1HG2 ILE 33 -9.172 4.390 -1.844 265 2HG2 ILE 33 2HG2 ILE 33 -8.924 2.660 -2.088 266 3HG2 ILE 33 3HG2 ILE 33 -8.270 3.451 -0.655 267 1HD1 ILE 33 1HD1 ILE 33 -6.970 7.266 -1.833 268 2HD1 ILE 33 2HD1 ILE 33 -7.653 6.493 -3.263 269 3HD1 ILE 33 3HD1 ILE 33 -8.397 6.241 -1.685 270 H GLU 34 H GLU 34 -6.660 1.761 -4.567 271 HA GLU 34 HA GLU 34 -8.710 -0.059 -4.025 272 1HB GLU 34 1HB GLU 34 -8.158 0.900 -6.251 273 2HB GLU 34 2HB GLU 34 -6.735 -0.129 -6.307 274 1HG GLU 34 1HG GLU 34 -8.108 -2.103 -6.324 275 2HG GLU 34 2HG GLU 34 -9.565 -1.128 -6.123 276 H PHE 35 H PHE 35 -5.209 -0.595 -4.418 277 HA PHE 35 HA PHE 35 -5.263 -3.387 -4.087 278 1HB PHE 35 1HB PHE 35 -3.112 -1.343 -3.572 279 2HB PHE 35 2HB PHE 35 -2.848 -3.063 -3.305 280 HD1 PHE 35 HD1 PHE 35 -4.340 -4.192 -5.608 281 HD2 PHE 35 HD2 PHE 35 -1.706 -0.861 -5.352 282 HE1 PHE 35 HE1 PHE 35 -3.737 -4.491 -7.973 283 HE2 PHE 35 HE2 PHE 35 -1.104 -1.150 -7.718 284 HZ PHE 35 HZ PHE 35 -2.119 -2.969 -9.032 285 H ALA 36 H ALA 36 -4.973 -0.764 -1.741 286 HA ALA 36 HA ALA 36 -4.571 -2.369 0.537 287 1HB ALA 36 1HB ALA 36 -5.239 -0.408 1.822 288 2HB ALA 36 2HB ALA 36 -4.142 0.039 0.515 289 3HB ALA 36 3HB ALA 36 -5.872 0.347 0.359 290 H LYS 37 H LYS 37 -7.534 -1.115 -0.972 291 HA LYS 37 HA LYS 37 -9.259 -2.189 1.019 292 1HB LYS 37 1HB LYS 37 -9.844 -1.267 -1.793 293 2HB LYS 37 2HB LYS 37 -11.076 -1.724 -0.625 294 1HG LYS 37 1HG LYS 37 -10.170 0.052 0.886 295 2HG LYS 37 2HG LYS 37 -9.155 0.580 -0.454 296 1HD LYS 37 1HD LYS 37 -12.169 0.460 -0.441 297 2HD LYS 37 2HD LYS 37 -11.186 1.920 -0.323 298 1HE LYS 37 1HE LYS 37 -10.251 1.438 -2.549 299 2HE LYS 37 2HE LYS 37 -11.292 0.021 -2.664 300 1HZ LYS 37 1HZ LYS 37 -13.212 1.533 -2.420 301 2HZ LYS 37 2HZ LYS 37 -12.156 2.856 -2.489 302 3HZ LYS 37 3HZ LYS 37 -12.309 1.821 -3.826 303 H GLN 38 H GLN 38 -8.065 -3.410 -2.070 304 HA GLN 38 HA GLN 38 -9.653 -5.728 -2.189 305 1HB GLN 38 1HB GLN 38 -6.865 -5.162 -3.194 306 2HB GLN 38 2HB GLN 38 -7.674 -6.697 -3.477 307 1HG GLN 38 1HG GLN 38 -9.466 -5.545 -4.662 308 2HG GLN 38 2HG GLN 38 -8.675 -3.999 -4.364 309 1HE2 GLN 38 2HE2 GLN 38 -6.851 -3.457 -5.521 310 2HE2 GLN 38 1HE2 GLN 38 -6.356 -4.316 -6.937 311 H TRP 39 H TRP 39 -6.654 -5.019 -0.495 312 HA TRP 39 HA TRP 39 -6.285 -7.606 0.617 313 1HB TRP 39 1HB TRP 39 -4.469 -5.965 0.487 314 2HB TRP 39 2HB TRP 39 -5.340 -4.891 1.573 315 HD1 TRP 39 HD1 TRP 39 -3.803 -8.461 1.679 316 HE1 TRP 39 HE1 TRP 39 -2.864 -8.844 4.051 317 HE3 TRP 39 HE3 TRP 39 -5.267 -4.065 3.841 318 HZ2 TRP 39 HZ2 TRP 39 -2.764 -7.456 6.507 319 HZ3 TRP 39 HZ3 TRP 39 -4.706 -3.670 6.205 320 HH2 TRP 39 HH2 TRP 39 -3.481 -5.333 7.508 321 H LEU 40 H LEU 40 -7.840 -4.640 1.788 322 HA LEU 40 HA LEU 40 -8.643 -5.556 4.304 323 1HB LEU 40 1HB LEU 40 -9.979 -3.575 2.459 324 2HB LEU 40 2HB LEU 40 -10.443 -3.827 4.129 325 HG LEU 40 HG LEU 40 -7.747 -2.830 3.200 326 1HD1 LEU 40 1HD1 LEU 40 -10.048 -1.375 4.498 327 2HD1 LEU 40 2HD1 LEU 40 -8.458 -0.693 4.154 328 3HD1 LEU 40 3HD1 LEU 40 -9.509 -1.192 2.829 329 1HD2 LEU 40 1HD2 LEU 40 -7.360 -2.377 5.578 330 2HD2 LEU 40 2HD2 LEU 40 -8.902 -3.140 5.970 331 3HD2 LEU 40 3HD2 LEU 40 -7.596 -4.098 5.272 332 H SER 41 H SER 41 -10.234 -5.832 1.152 333 HA SER 41 HA SER 41 -12.618 -7.005 2.061 334 1HB SER 41 1HB SER 41 -11.201 -7.353 -0.594 335 2HB SER 41 2HB SER 41 -12.867 -7.828 -0.266 336 HG SER 41 HG SER 41 -12.009 -5.179 0.210 337 H SER 42 H SER 42 -9.469 -8.373 1.325 338 HA SER 42 HA SER 42 -10.314 -11.087 1.374 339 1HB SER 42 1HB SER 42 -8.222 -10.219 0.256 340 2HB SER 42 2HB SER 42 -7.515 -10.053 1.863 341 HG SER 42 HG SER 42 -7.037 -12.090 1.743 342 H ILE 43 H ILE 43 -8.964 -8.883 3.804 343 HA ILE 43 HA ILE 43 -8.824 -10.973 5.784 344 HB ILE 43 HB ILE 43 -8.182 -9.227 7.375 345 1HG1 ILE 43 1HG1 ILE 43 -8.538 -7.310 5.060 346 2HG1 ILE 43 2HG1 ILE 43 -9.596 -7.409 6.465 347 1HG2 ILE 43 1HG2 ILE 43 -6.732 -9.064 4.738 348 2HG2 ILE 43 2HG2 ILE 43 -6.077 -8.579 6.302 349 3HG2 ILE 43 3HG2 ILE 43 -6.478 -10.270 5.999 350 1HD1 ILE 43 1HD1 ILE 43 -6.682 -6.659 6.499 351 2HD1 ILE 43 2HD1 ILE 43 -8.045 -5.550 6.647 352 3HD1 ILE 43 3HD1 ILE 43 -7.742 -6.749 7.905 353 H GLY 44 H GLY 44 -11.313 -9.073 4.574 354 1HA GLY 44 1HA GLY 44 -13.547 -9.678 5.155 355 2HA GLY 44 2HA GLY 44 -12.996 -10.026 6.785 356 H GLU 45 H GLU 45 -11.767 -7.105 5.557 357 HA GLU 45 HA GLU 45 -13.679 -5.607 7.195 358 1HB GLU 45 1HB GLU 45 -10.984 -4.898 6.040 359 2HB GLU 45 2HB GLU 45 -12.037 -3.702 6.783 360 1HG GLU 45 1HG GLU 45 -10.974 -6.161 8.154 361 2HG GLU 45 2HG GLU 45 -10.304 -4.538 8.309 362 H GLU 46 H GLU 46 -13.201 -6.487 4.040 363 HA GLU 46 HA GLU 46 -14.007 -5.864 2.026 364 1HB GLU 46 1HB GLU 46 -15.893 -4.187 3.687 365 2HB GLU 46 2HB GLU 46 -16.048 -4.439 1.955 366 1HG GLU 46 1HG GLU 46 -16.287 -6.858 2.356 367 2HG GLU 46 2HG GLU 46 -16.216 -6.550 4.093 368 H GLY 47 H GLY 47 -14.757 -2.727 3.414 369 1HA GLY 47 1HA GLY 47 -12.330 -1.537 2.391 370 2HA GLY 47 2HA GLY 47 -13.787 -1.114 1.499 371 H ALA 48 H ALA 48 -12.005 -0.710 4.434 372 HA ALA 48 HA ALA 48 -13.982 0.793 5.837 373 1HB ALA 48 1HB ALA 48 -12.144 -0.316 7.004 374 2HB ALA 48 2HB ALA 48 -10.984 0.736 6.192 375 3HB ALA 48 3HB ALA 48 -12.147 1.418 7.329 376 H THR 49 H THR 49 -13.066 3.142 6.587 377 HA THR 49 HA THR 49 -13.325 4.824 4.336 378 HB THR 49 HB THR 49 -12.225 5.579 7.052 379 HG1 THR 49 HG1 THR 49 -14.943 5.616 6.165 380 1HG2 THR 49 1HG2 THR 49 -13.653 7.199 4.939 381 2HG2 THR 49 2HG2 THR 49 -13.142 7.792 6.519 382 3HG2 THR 49 3HG2 THR 49 -11.936 7.295 5.332 383 H VAL 50 H VAL 50 -11.758 4.467 2.810 384 HA VAL 50 HA VAL 50 -9.042 5.300 3.572 385 HB VAL 50 HB VAL 50 -9.646 3.120 1.559 386 1HG1 VAL 50 1HG1 VAL 50 -7.216 2.786 1.557 387 2HG1 VAL 50 2HG1 VAL 50 -7.653 4.406 1.019 388 3HG1 VAL 50 3HG1 VAL 50 -7.031 4.157 2.651 389 1HG2 VAL 50 1HG2 VAL 50 -8.490 2.893 4.337 390 2HG2 VAL 50 2HG2 VAL 50 -10.079 2.327 3.822 391 3HG2 VAL 50 3HG2 VAL 50 -8.622 1.580 3.167 392 H THR 51 H THR 51 -9.253 7.346 2.791 393 HA THR 51 HA THR 51 -9.529 7.536 -0.138 394 HB THR 51 HB THR 51 -10.382 9.866 0.210 395 HG1 THR 51 HG1 THR 51 -10.072 9.073 2.881 396 1HG2 THR 51 1HG2 THR 51 -11.929 8.047 -0.285 397 2HG2 THR 51 2HG2 THR 51 -12.049 7.665 1.432 398 3HG2 THR 51 3HG2 THR 51 -12.663 9.203 0.826 399 H SER 52 H SER 52 -8.730 10.140 -0.464 400 HA SER 52 HA SER 52 -5.958 9.961 -0.513 401 1HB SER 52 1HB SER 52 -7.211 11.472 -1.964 402 2HB SER 52 2HB SER 52 -7.706 12.435 -0.574 403 HG SER 52 HG SER 52 -5.767 13.317 -0.465 404 H GLU 53 H GLU 53 -8.032 10.992 2.068 405 HA GLU 53 HA GLU 53 -6.054 12.498 3.462 406 1HB GLU 53 1HB GLU 53 -8.753 11.410 4.241 407 2HB GLU 53 2HB GLU 53 -7.735 12.295 5.361 408 1HG GLU 53 1HG GLU 53 -9.310 13.823 4.474 409 2HG GLU 53 2HG GLU 53 -7.748 14.205 3.756 410 H GLU 54 H GLU 54 -7.340 9.202 3.736 411 HA GLU 54 HA GLU 54 -5.835 8.637 6.106 412 1HB GLU 54 1HB GLU 54 -7.395 6.838 4.251 413 2HB GLU 54 2HB GLU 54 -6.600 6.275 5.712 414 1HG GLU 54 1HG GLU 54 -8.911 6.601 6.190 415 2HG GLU 54 2HG GLU 54 -7.995 7.858 7.018 416 H CYS 55 H CYS 55 -5.351 8.092 2.665 417 HA CYS 55 HA CYS 55 -2.945 6.540 3.251 418 1HB CYS 55 1HB CYS 55 -2.863 6.131 0.804 419 2HB CYS 55 2HB CYS 55 -4.377 5.609 1.529 420 HG CYS 55 HG CYS 55 -5.846 7.795 0.608 421 H ARG 56 H ARG 56 -1.116 7.603 3.557 422 HA ARG 56 HA ARG 56 -0.790 10.236 2.294 423 1HB ARG 56 1HB ARG 56 0.767 8.964 4.550 424 2HB ARG 56 2HB ARG 56 1.025 10.583 3.919 425 1HG ARG 56 1HG ARG 56 -1.254 11.191 4.626 426 2HG ARG 56 2HG ARG 56 -1.441 9.579 5.324 427 1HD ARG 56 1HD ARG 56 0.605 11.651 6.111 428 2HD ARG 56 2HD ARG 56 -0.817 11.180 7.042 429 HE ARG 56 HE ARG 56 0.290 8.878 7.054 430 1HH1 ARG 56 1HH1 ARG 56 2.118 11.876 6.947 431 2HH1 ARG 56 2HH1 ARG 56 3.486 11.202 7.784 432 1HH2 ARG 56 1HH2 ARG 56 2.063 8.014 8.149 433 2HH2 ARG 56 2HH2 ARG 56 3.459 9.009 8.468 434 H PHE 57 H PHE 57 0.526 10.442 0.610 435 HA PHE 57 HA PHE 57 2.276 8.297 -0.174 436 1HB PHE 57 1HB PHE 57 1.149 9.610 -1.901 437 2HB PHE 57 2HB PHE 57 1.919 11.081 -1.314 438 HD1 PHE 57 HD1 PHE 57 3.761 11.833 -2.447 439 HD2 PHE 57 HD2 PHE 57 2.883 7.671 -2.491 440 HE1 PHE 57 HE1 PHE 57 5.660 11.452 -3.963 441 HE2 PHE 57 HE2 PHE 57 4.778 7.282 -4.008 442 HZ PHE 57 HZ PHE 57 6.170 9.175 -4.746 443 H CYS 58 H CYS 58 4.056 7.986 0.985 444 HA CYS 58 HA CYS 58 5.362 10.093 2.409 445 1HB CYS 58 1HB CYS 58 6.340 7.289 1.824 446 2HB CYS 58 2HB CYS 58 6.983 8.379 3.046 447 HG CYS 58 HG CYS 58 5.102 6.098 3.784 448 H HIS 59 H HIS 59 6.436 7.973 -0.244 449 HA HIS 59 HA HIS 59 7.516 9.933 -1.883 450 1HB HIS 59 1HB HIS 59 9.959 9.637 -1.460 451 2HB HIS 59 2HB HIS 59 9.123 10.448 -0.143 452 HD1 HIS 59 HD1 HIS 59 9.525 9.526 2.133 453 HD2 HIS 59 HD2 HIS 59 10.462 6.795 -0.864 454 HE1 HIS 59 HE1 HIS 59 10.512 7.536 3.308 455 HE2 HIS 59 HE2 HIS 59 11.226 5.968 1.464 456 H SER 60 H SER 60 9.418 8.871 -3.269 457 HA SER 60 HA SER 60 8.764 6.020 -3.672 458 1HB SER 60 1HB SER 60 9.534 8.025 -5.812 459 2HB SER 60 2HB SER 60 9.089 6.337 -6.067 460 HG SER 60 HG SER 60 7.477 8.531 -5.376 461 H GLU 61 H GLU 61 10.476 4.716 -3.356 462 HA GLU 61 HA GLU 61 13.162 5.812 -3.795 463 1HB GLU 61 1HB GLU 61 13.966 4.852 -1.688 464 2HB GLU 61 2HB GLU 61 12.729 6.069 -1.412 465 1HG GLU 61 1HG GLU 61 11.096 4.412 -0.917 466 2HG GLU 61 2HG GLU 61 12.170 3.116 -1.444 467 H LYS 62 H LYS 62 14.850 4.057 -3.595 468 HA LYS 62 HA LYS 62 14.173 1.890 -5.324 469 1HB LYS 62 1HB LYS 62 16.380 2.959 -5.377 470 2HB LYS 62 2HB LYS 62 16.683 2.441 -3.726 471 1HG LYS 62 1HG LYS 62 16.578 0.093 -4.475 472 2HG LYS 62 2HG LYS 62 16.366 0.660 -6.134 473 1HD LYS 62 1HD LYS 62 18.520 1.756 -6.075 474 2HD LYS 62 2HD LYS 62 18.721 1.334 -4.374 475 1HE LYS 62 1HE LYS 62 18.567 -0.585 -6.694 476 2HE LYS 62 2HE LYS 62 20.014 -0.165 -5.778 477 1HZ LYS 62 1HZ LYS 62 17.671 -1.733 -4.893 478 2HZ LYS 62 2HZ LYS 62 19.298 -2.188 -4.894 479 3HZ LYS 62 3HZ LYS 62 18.739 -1.039 -3.773 480 H ALA 63 H ALA 63 13.559 -0.117 -4.810 481 HA ALA 63 HA ALA 63 13.243 -0.734 -1.967 482 1HB ALA 63 1HB ALA 63 11.608 -2.377 -2.689 483 2HB ALA 63 2HB ALA 63 11.248 -0.797 -3.386 484 3HB ALA 63 3HB ALA 63 12.000 -2.047 -4.377 485 HA PRO 64 HA PRO 64 16.230 -4.067 -1.968 486 1HB PRO 64 1HB PRO 64 14.189 -5.576 -0.432 487 2HB PRO 64 2HB PRO 64 15.861 -5.194 -0.005 488 1HG PRO 64 1HG PRO 64 13.817 -3.944 1.175 489 2HG PRO 64 2HG PRO 64 15.319 -3.086 0.782 490 1HD PRO 64 1HD PRO 64 12.680 -3.034 -0.625 491 2HD PRO 64 2HD PRO 64 13.827 -1.711 -0.327 492 H ASP 65 H ASP 65 16.571 -5.891 -3.155 493 HA ASP 65 HA ASP 65 14.976 -6.304 -5.391 494 1HB ASP 65 1HB ASP 65 17.399 -6.884 -5.148 495 2HB ASP 65 2HB ASP 65 16.916 -8.306 -4.228 496 H GLU 66 H GLU 66 14.826 -7.849 -2.277 497 HA GLU 66 HA GLU 66 13.443 -10.181 -2.932 498 1HB GLU 66 1HB GLU 66 13.205 -8.549 -0.399 499 2HB GLU 66 2HB GLU 66 12.752 -10.238 -0.587 500 1HG GLU 66 1HG GLU 66 15.519 -9.067 -0.720 501 2HG GLU 66 2HG GLU 66 14.861 -10.134 0.520 502 H VAL 67 H VAL 67 12.160 -6.973 -2.031 503 HA VAL 67 HA VAL 67 9.445 -7.917 -2.225 504 HB VAL 67 HB VAL 67 8.742 -5.664 -1.702 505 1HG1 VAL 67 1HG1 VAL 67 9.451 -7.063 0.148 506 2HG1 VAL 67 2HG1 VAL 67 11.111 -6.498 -0.038 507 3HG1 VAL 67 3HG1 VAL 67 9.847 -5.374 0.464 508 1HG2 VAL 67 1HG2 VAL 67 11.642 -4.882 -1.985 509 2HG2 VAL 67 2HG2 VAL 67 10.322 -4.406 -3.054 510 3HG2 VAL 67 3HG2 VAL 67 10.351 -3.841 -1.384 511 H ILE 68 H ILE 68 11.745 -6.789 -4.423 512 HA ILE 68 HA ILE 68 10.147 -5.405 -6.281 513 HB ILE 68 HB ILE 68 12.586 -7.115 -6.803 514 1HG1 ILE 68 1HG1 ILE 68 13.020 -5.310 -5.212 515 2HG1 ILE 68 2HG1 ILE 68 13.815 -4.993 -6.748 516 1HG2 ILE 68 1HG2 ILE 68 11.325 -6.727 -8.845 517 2HG2 ILE 68 2HG2 ILE 68 11.307 -4.993 -8.521 518 3HG2 ILE 68 3HG2 ILE 68 12.832 -5.810 -8.860 519 1HD1 ILE 68 1HD1 ILE 68 11.247 -3.751 -5.793 520 2HD1 ILE 68 2HD1 ILE 68 12.829 -2.974 -5.839 521 3HD1 ILE 68 3HD1 ILE 68 12.029 -3.433 -7.343 522 H GLU 69 H GLU 69 10.715 -8.813 -5.711 523 HA GLU 69 HA GLU 69 9.473 -9.845 -8.000 524 1HB GLU 69 1HB GLU 69 9.674 -10.996 -5.213 525 2HB GLU 69 2HB GLU 69 9.111 -11.895 -6.616 526 1HG GLU 69 1HG GLU 69 11.849 -10.733 -6.174 527 2HG GLU 69 2HG GLU 69 11.402 -12.438 -6.246 528 H ALA 70 H ALA 70 8.128 -9.001 -4.827 529 HA ALA 70 HA ALA 70 5.475 -9.787 -5.410 530 1HB ALA 70 1HB ALA 70 4.855 -8.497 -3.437 531 2HB ALA 70 2HB ALA 70 6.288 -9.476 -3.125 532 3HB ALA 70 3HB ALA 70 6.450 -7.745 -3.415 533 H ILE 71 H ILE 71 7.212 -6.737 -5.756 534 HA ILE 71 HA ILE 71 4.985 -5.162 -6.519 535 HB ILE 71 HB ILE 71 7.914 -4.759 -7.159 536 1HG1 ILE 71 1HG1 ILE 71 7.553 -4.842 -4.766 537 2HG1 ILE 71 2HG1 ILE 71 7.836 -3.173 -5.244 538 1HG2 ILE 71 1HG2 ILE 71 7.327 -2.406 -7.491 539 2HG2 ILE 71 2HG2 ILE 71 6.498 -3.454 -8.642 540 3HG2 ILE 71 3HG2 ILE 71 5.624 -2.801 -7.256 541 1HD1 ILE 71 1HD1 ILE 71 5.449 -2.731 -5.137 542 2HD1 ILE 71 2HD1 ILE 71 5.160 -4.406 -4.667 543 3HD1 ILE 71 3HD1 ILE 71 6.069 -3.336 -3.600 544 H LYS 72 H LYS 72 7.268 -7.134 -8.320 545 HA LYS 72 HA LYS 72 6.294 -6.326 -10.893 546 1HB LYS 72 1HB LYS 72 8.566 -7.054 -10.727 547 2HB LYS 72 2HB LYS 72 8.092 -8.565 -9.967 548 1HG LYS 72 1HG LYS 72 7.165 -9.381 -12.007 549 2HG LYS 72 2HG LYS 72 7.373 -7.813 -12.787 550 1HD LYS 72 1HD LYS 72 9.090 -9.445 -13.467 551 2HD LYS 72 2HD LYS 72 9.778 -8.031 -12.673 552 1HE LYS 72 1HE LYS 72 9.157 -10.485 -11.080 553 2HE LYS 72 2HE LYS 72 10.621 -10.423 -12.059 554 1HZ LYS 72 1HZ LYS 72 11.224 -8.362 -10.868 555 2HZ LYS 72 2HZ LYS 72 9.879 -8.568 -9.865 556 3HZ LYS 72 3HZ LYS 72 11.129 -9.714 -9.841 557 H GLN 73 H GLN 73 5.535 -8.832 -8.600 558 HA GLN 73 HA GLN 73 4.008 -10.401 -10.482 559 1HB GLN 73 1HB GLN 73 5.265 -11.475 -8.673 560 2HB GLN 73 2HB GLN 73 4.295 -10.623 -7.483 561 1HG GLN 73 1HG GLN 73 2.304 -11.810 -8.265 562 2HG GLN 73 2HG GLN 73 3.294 -12.677 -9.441 563 1HE2 GLN 73 2HE2 GLN 73 1.694 -13.703 -7.226 564 2HE2 GLN 73 1HE2 GLN 73 2.786 -14.601 -6.228 565 H ASN 74 H ASN 74 3.138 -8.815 -7.394 566 HA ASN 74 HA ASN 74 0.342 -8.897 -8.235 567 1HB ASN 74 1HB ASN 74 1.644 -8.327 -5.569 568 2HB ASN 74 2HB ASN 74 -0.087 -8.165 -5.848 569 1HD2 ASN 74 2HD2 ASN 74 1.366 -9.950 -4.057 570 2HD2 ASN 74 1HD2 ASN 74 0.894 -11.556 -4.493 571 H GLY 75 H GLY 75 2.921 -6.646 -7.776 572 1HA GLY 75 1HA GLY 75 2.872 -4.525 -8.864 573 2HA GLY 75 2HA GLY 75 1.123 -4.512 -8.695 574 H TYR 76 H TYR 76 2.036 -5.570 -5.818 575 HA TYR 76 HA TYR 76 2.863 -3.091 -4.593 576 1HB TYR 76 1HB TYR 76 0.866 -2.752 -3.265 577 2HB TYR 76 2HB TYR 76 0.413 -2.761 -4.966 578 HD1 TYR 76 HD1 TYR 76 -0.460 -5.041 -5.903 579 HD2 TYR 76 HD2 TYR 76 -0.297 -4.081 -1.761 580 HE1 TYR 76 HE1 TYR 76 -2.145 -6.769 -5.442 581 HE2 TYR 76 HE2 TYR 76 -1.982 -5.807 -1.291 582 HH TYR 76 HH TYR 76 -3.755 -7.014 -2.457 583 H PHE 77 H PHE 77 3.200 -3.341 -2.293 584 HA PHE 77 HA PHE 77 3.071 -6.084 -1.259 585 1HB PHE 77 1HB PHE 77 5.378 -5.685 -2.069 586 2HB PHE 77 2HB PHE 77 5.487 -4.267 -1.033 587 HD1 PHE 77 HD1 PHE 77 6.100 -4.463 1.226 588 HD2 PHE 77 HD2 PHE 77 5.111 -7.947 -1.010 589 HE1 PHE 77 HE1 PHE 77 6.926 -5.873 3.065 590 HE2 PHE 77 HE2 PHE 77 5.935 -9.362 0.825 591 HZ PHE 77 HZ PHE 77 6.844 -8.327 2.866 592 H ILE 78 H ILE 78 2.078 -6.107 0.646 593 HA ILE 78 HA ILE 78 1.627 -3.577 2.032 594 HB ILE 78 HB ILE 78 0.382 -6.293 2.508 595 1HG1 ILE 78 1HG1 ILE 78 -0.264 -5.307 0.345 596 2HG1 ILE 78 2HG1 ILE 78 -1.622 -5.355 1.464 597 1HG2 ILE 78 1HG2 ILE 78 -0.313 -3.599 3.676 598 2HG2 ILE 78 2HG2 ILE 78 -1.234 -5.085 3.907 599 3HG2 ILE 78 3HG2 ILE 78 0.408 -4.958 4.538 600 1HD1 ILE 78 1HD1 ILE 78 0.049 -2.938 0.817 601 2HD1 ILE 78 2HD1 ILE 78 -1.576 -3.276 0.221 602 3HD1 ILE 78 3HD1 ILE 78 -1.311 -2.982 1.939 603 H TYR 79 H TYR 79 3.247 -3.080 3.393 604 HA TYR 79 HA TYR 79 4.102 -5.176 5.275 605 1HB TYR 79 1HB TYR 79 6.012 -4.291 4.096 606 2HB TYR 79 2HB TYR 79 5.509 -2.635 4.426 607 HD1 TYR 79 HD1 TYR 79 6.635 -5.762 6.102 608 HD2 TYR 79 HD2 TYR 79 6.267 -1.527 6.358 609 HE1 TYR 79 HE1 TYR 79 7.955 -5.777 8.175 610 HE2 TYR 79 HE2 TYR 79 7.589 -1.534 8.430 611 HH TYR 79 HH TYR 79 8.174 -3.072 10.234 612 H LYS 80 H LYS 80 3.129 -5.067 7.170 613 HA LYS 80 HA LYS 80 1.844 -2.630 8.029 614 1HB LYS 80 1HB LYS 80 2.078 -5.368 9.285 615 2HB LYS 80 2HB LYS 80 1.236 -4.025 10.049 616 1HG LYS 80 1HG LYS 80 -0.294 -3.895 8.150 617 2HG LYS 80 2HG LYS 80 0.550 -5.235 7.377 618 1HD LYS 80 1HD LYS 80 -0.733 -5.453 10.093 619 2HD LYS 80 2HD LYS 80 -1.589 -5.817 8.595 620 1HE LYS 80 1HE LYS 80 0.092 -7.518 8.058 621 2HE LYS 80 2HE LYS 80 0.932 -7.159 9.568 622 1HZ LYS 80 1HZ LYS 80 -0.501 -9.115 9.746 623 2HZ LYS 80 2HZ LYS 80 -1.009 -7.883 10.796 624 3HZ LYS 80 3HZ LYS 80 -1.856 -8.173 9.356 625 H MET 81 H MET 81 2.558 -1.208 9.479 626 HA MET 81 HA MET 81 5.353 -1.256 10.142 627 1HB MET 81 1HB MET 81 4.165 0.811 9.486 628 2HB MET 81 2HB MET 81 3.178 0.693 10.934 629 1HG MET 81 1HG MET 81 5.302 0.848 12.265 630 2HG MET 81 2HG MET 81 6.126 1.237 10.753 631 1HE MET 81 1HE MET 81 3.559 2.828 9.388 632 2HE MET 81 2HE MET 81 5.247 3.291 9.164 633 3HE MET 81 3HE MET 81 4.069 4.486 9.708 634 H GLU 82 H GLU 82 2.355 -1.088 12.037 635 HA GLU 82 HA GLU 82 3.666 -2.576 14.163 636 1HB GLU 82 1HB GLU 82 2.576 -0.971 15.835 637 2HB GLU 82 2HB GLU 82 4.028 -0.428 15.012 638 1HG GLU 82 1HG GLU 82 2.720 1.437 14.880 639 2HG GLU 82 2HG GLU 82 2.337 0.656 13.349 640 H GLY 83 H GLY 83 1.965 -3.182 15.893 641 1HA GLY 83 1HA GLY 83 -0.058 -4.242 16.336 642 2HA GLY 83 2HA GLY 83 -0.680 -3.631 14.807 643 H CYS 84 H CYS 84 2.318 -5.036 14.414 644 HA CYS 84 HA CYS 84 1.159 -7.625 13.640 645 1HB CYS 84 1HB CYS 84 2.872 -7.526 11.733 646 2HB CYS 84 2HB CYS 84 1.455 -6.488 11.592 647 HG CYS 84 HG CYS 84 3.911 -5.241 10.702 648 H ASN 85 H ASN 85 1.940 -8.785 15.353 649 HA ASN 85 HA ASN 85 4.869 -9.023 15.514 650 1HB ASN 85 1HB ASN 85 2.943 -8.494 17.728 651 2HB ASN 85 2HB ASN 85 4.267 -9.605 18.052 652 1HD2 ASN 85 2HD2 ASN 85 4.671 -6.981 15.806 653 2HD2 ASN 85 1HD2 ASN 85 5.686 -6.009 16.821 Start of MODEL 20 1 H MET 1 H MET 1 12.072 2.314 -12.089 2 HA MET 1 HA MET 1 10.076 1.165 -11.303 3 1HB MET 1 1HB MET 1 10.767 -1.052 -12.246 4 2HB MET 1 2HB MET 1 11.962 -1.174 -10.963 5 1HG MET 1 1HG MET 1 10.248 -1.219 -9.290 6 2HG MET 1 2HG MET 1 9.005 -0.903 -10.498 7 1HE MET 1 1HE MET 1 8.638 -3.253 -8.480 8 2HE MET 1 2HE MET 1 8.123 -4.552 -9.554 9 3HE MET 1 3HE MET 1 7.522 -2.914 -9.803 10 H GLN 2 H GLN 2 9.757 1.943 -9.345 11 HA GLN 2 HA GLN 2 11.815 1.771 -7.279 12 1HB GLN 2 1HB GLN 2 11.975 3.946 -8.808 13 2HB GLN 2 2HB GLN 2 10.670 4.484 -7.758 14 1HG GLN 2 1HG GLN 2 12.718 5.266 -6.843 15 2HG GLN 2 2HG GLN 2 12.123 3.970 -5.805 16 1HE2 GLN 2 2HE2 GLN 2 14.592 4.978 -7.995 17 2HE2 GLN 2 1HE2 GLN 2 15.647 3.626 -7.759 18 H ILE 3 H ILE 3 10.955 1.830 -5.231 19 HA ILE 3 HA ILE 3 8.193 1.171 -5.078 20 HB ILE 3 HB ILE 3 8.596 1.203 -2.566 21 1HG1 ILE 3 1HG1 ILE 3 11.467 1.517 -3.468 22 2HG1 ILE 3 2HG1 ILE 3 10.534 2.739 -2.613 23 1HG2 ILE 3 1HG2 ILE 3 8.581 -0.838 -3.852 24 2HG2 ILE 3 2HG2 ILE 3 10.265 -0.591 -4.313 25 3HG2 ILE 3 3HG2 ILE 3 9.849 -0.905 -2.630 26 1HD1 ILE 3 1HD1 ILE 3 12.036 1.566 -1.115 27 2HD1 ILE 3 2HD1 ILE 3 10.352 1.253 -0.687 28 3HD1 ILE 3 3HD1 ILE 3 11.289 0.029 -1.546 29 H HIS 4 H HIS 4 6.551 2.470 -4.958 30 HA HIS 4 HA HIS 4 6.847 5.150 -3.837 31 1HB HIS 4 1HB HIS 4 4.459 3.780 -5.112 32 2HB HIS 4 2HB HIS 4 4.485 5.448 -4.555 33 HD1 HIS 4 HD1 HIS 4 3.981 4.481 -7.550 34 HD2 HIS 4 HD2 HIS 4 7.532 6.002 -6.004 35 HE1 HIS 4 HE1 HIS 4 5.246 5.405 -9.522 36 HE2 HIS 4 HE2 HIS 4 7.352 6.398 -8.552 37 H VAL 5 H VAL 5 6.632 5.352 -1.708 38 HA VAL 5 HA VAL 5 5.425 3.199 -0.181 39 HB VAL 5 HB VAL 5 6.720 5.723 0.857 40 1HG1 VAL 5 1HG1 VAL 5 6.154 3.074 2.184 41 2HG1 VAL 5 2HG1 VAL 5 7.008 4.430 2.917 42 3HG1 VAL 5 3HG1 VAL 5 5.307 4.592 2.482 43 1HG2 VAL 5 1HG2 VAL 5 8.742 4.363 1.178 44 2HG2 VAL 5 2HG2 VAL 5 7.959 3.021 0.343 45 3HG2 VAL 5 3HG2 VAL 5 8.310 4.515 -0.525 46 H TYR 6 H TYR 6 3.274 3.262 -0.061 47 HA TYR 6 HA TYR 6 1.996 5.826 0.604 48 1HB TYR 6 1HB TYR 6 0.844 3.275 -0.536 49 2HB TYR 6 2HB TYR 6 -0.147 4.612 0.028 50 HD1 TYR 6 HD1 TYR 6 -0.433 6.578 -1.295 51 HD2 TYR 6 HD2 TYR 6 2.271 3.542 -2.543 52 HE1 TYR 6 HE1 TYR 6 -0.304 7.617 -3.520 53 HE2 TYR 6 HE2 TYR 6 2.414 4.575 -4.769 54 HH TYR 6 HH TYR 6 1.084 7.694 -5.433 55 H ASP 7 H ASP 7 2.445 5.847 2.826 56 HA ASP 7 HA ASP 7 1.717 3.713 4.568 57 1HB ASP 7 1HB ASP 7 3.295 5.308 5.403 58 2HB ASP 7 2HB ASP 7 2.220 6.656 5.051 59 H THR 8 H THR 8 -0.287 3.005 4.652 60 HA THR 8 HA THR 8 -2.473 4.927 4.229 61 HB THR 8 HB THR 8 -2.507 1.928 3.828 62 HG1 THR 8 HG1 THR 8 -1.157 3.274 2.355 63 1HG2 THR 8 1HG2 THR 8 -4.604 2.359 2.624 64 2HG2 THR 8 2HG2 THR 8 -4.714 2.874 4.306 65 3HG2 THR 8 3HG2 THR 8 -4.484 4.070 3.031 66 H TYR 9 H TYR 9 -3.681 5.411 5.907 67 HA TYR 9 HA TYR 9 -3.578 3.827 8.334 68 1HB TYR 9 1HB TYR 9 -5.151 6.342 7.721 69 2HB TYR 9 2HB TYR 9 -4.925 5.625 9.314 70 HD1 TYR 9 HD1 TYR 9 -3.660 7.947 6.933 71 HD2 TYR 9 HD2 TYR 9 -2.502 5.449 10.175 72 HE1 TYR 9 HE1 TYR 9 -1.619 9.289 7.231 73 HE2 TYR 9 HE2 TYR 9 -0.462 6.782 10.484 74 HH TYR 9 HH TYR 9 0.996 8.266 9.013 75 H VAL 10 H VAL 10 -5.008 2.294 8.843 76 HA VAL 10 HA VAL 10 -7.666 2.414 7.577 77 HB VAL 10 HB VAL 10 -6.162 -0.073 8.418 78 1HG1 VAL 10 1HG1 VAL 10 -8.019 -1.287 7.389 79 2HG1 VAL 10 2HG1 VAL 10 -8.568 -0.285 8.732 80 3HG1 VAL 10 3HG1 VAL 10 -8.842 0.240 7.071 81 1HG2 VAL 10 1HG2 VAL 10 -6.089 -0.584 6.018 82 2HG2 VAL 10 2HG2 VAL 10 -6.828 0.981 5.670 83 3HG2 VAL 10 3HG2 VAL 10 -5.223 0.906 6.398 84 H LYS 11 H LYS 11 -9.088 3.061 9.038 85 HA LYS 11 HA LYS 11 -8.601 2.751 11.851 86 1HB LYS 11 1HB LYS 11 -11.150 3.702 10.548 87 2HB LYS 11 2HB LYS 11 -10.607 4.011 12.190 88 1HG LYS 11 1HG LYS 11 -8.665 5.268 11.167 89 2HG LYS 11 2HG LYS 11 -9.534 5.160 9.633 90 1HD LYS 11 1HD LYS 11 -11.522 6.153 10.900 91 2HD LYS 11 2HD LYS 11 -10.356 6.560 12.159 92 1HE LYS 11 1HE LYS 11 -10.402 7.514 9.308 93 2HE LYS 11 2HE LYS 11 -10.612 8.473 10.770 94 1HZ LYS 11 1HZ LYS 11 -8.447 8.889 10.144 95 2HZ LYS 11 2HZ LYS 11 -8.252 7.688 11.321 96 3HZ LYS 11 3HZ LYS 11 -8.143 7.288 9.669 97 H ALA 12 H ALA 12 -8.803 0.741 12.647 98 HA ALA 12 HA ALA 12 -10.885 -1.039 11.794 99 1HB ALA 12 1HB ALA 12 -8.738 -1.909 12.592 100 2HB ALA 12 2HB ALA 12 -9.051 -1.219 14.185 101 3HB ALA 12 3HB ALA 12 -10.079 -2.512 13.566 102 H LYS 13 H LYS 13 -12.664 -1.699 13.045 103 HA LYS 13 HA LYS 13 -14.028 0.461 14.238 104 1HB LYS 13 1HB LYS 13 -14.679 -2.490 14.271 105 2HB LYS 13 2HB LYS 13 -15.796 -1.196 14.695 106 1HG LYS 13 1HG LYS 13 -15.739 -0.333 12.461 107 2HG LYS 13 2HG LYS 13 -14.469 -1.469 12.010 108 1HD LYS 13 1HD LYS 13 -16.023 -3.332 12.430 109 2HD LYS 13 2HD LYS 13 -17.295 -2.165 12.800 110 1HE LYS 13 1HE LYS 13 -17.481 -2.975 10.503 111 2HE LYS 13 2HE LYS 13 -17.120 -1.250 10.542 112 1HZ LYS 13 1HZ LYS 13 -15.812 -2.481 8.880 113 2HZ LYS 13 2HZ LYS 13 -14.829 -1.718 10.034 114 3HZ LYS 13 3HZ LYS 13 -15.098 -3.390 10.121 115 H ASP 14 H ASP 14 -12.406 -2.373 15.602 116 HA ASP 14 HA ASP 14 -12.184 -0.923 18.124 117 1HB ASP 14 1HB ASP 14 -14.236 -2.245 18.384 118 2HB ASP 14 2HB ASP 14 -13.350 -3.712 17.980 119 H GLY 15 H GLY 15 -11.000 -3.161 15.842 120 1HA GLY 15 1HA GLY 15 -9.049 -4.384 17.587 121 2HA GLY 15 2HA GLY 15 -9.207 -4.632 15.857 122 H HIS 16 H HIS 16 -8.934 -1.417 17.182 123 HA HIS 16 HA HIS 16 -7.245 0.083 17.377 124 1HB HIS 16 1HB HIS 16 -5.836 -1.457 18.471 125 2HB HIS 16 2HB HIS 16 -5.552 -2.372 17.000 126 HD1 HIS 16 HD1 HIS 16 -4.873 1.201 18.169 127 HD2 HIS 16 HD2 HIS 16 -3.096 -1.880 16.012 128 HE1 HIS 16 HE1 HIS 16 -2.591 2.042 17.540 129 HE2 HIS 16 HE2 HIS 16 -1.572 0.212 16.144 130 H VAL 17 H VAL 17 -6.429 1.571 16.082 131 HA VAL 17 HA VAL 17 -6.895 1.370 13.283 132 HB VAL 17 HB VAL 17 -5.351 3.480 14.810 133 1HG1 VAL 17 1HG1 VAL 17 -4.778 3.517 12.451 134 2HG1 VAL 17 2HG1 VAL 17 -6.486 3.530 12.014 135 3HG1 VAL 17 3HG1 VAL 17 -5.780 4.912 12.853 136 1HG2 VAL 17 1HG2 VAL 17 -7.650 3.297 15.578 137 2HG2 VAL 17 2HG2 VAL 17 -7.426 4.788 14.662 138 3HG2 VAL 17 3HG2 VAL 17 -8.232 3.406 13.917 139 H MET 18 H MET 18 -5.671 0.281 11.921 140 HA MET 18 HA MET 18 -2.818 -0.077 12.526 141 1HB MET 18 1HB MET 18 -4.616 -1.608 10.634 142 2HB MET 18 2HB MET 18 -2.916 -1.952 10.920 143 1HG MET 18 1HG MET 18 -3.423 -2.474 13.254 144 2HG MET 18 2HG MET 18 -5.129 -2.146 12.950 145 1HE MET 18 1HE MET 18 -5.517 -3.331 10.041 146 2HE MET 18 2HE MET 18 -6.663 -3.634 11.346 147 3HE MET 18 3HE MET 18 -6.040 -4.978 10.388 148 H HIS 19 H HIS 19 -1.259 0.537 11.065 149 HA HIS 19 HA HIS 19 -2.123 1.369 8.424 150 1HB HIS 19 1HB HIS 19 -0.998 3.488 8.442 151 2HB HIS 19 2HB HIS 19 -2.112 3.445 9.797 152 HD1 HIS 19 HD1 HIS 19 1.312 4.183 8.915 153 HD2 HIS 19 HD2 HIS 19 -0.713 2.988 12.355 154 HE1 HIS 19 HE1 HIS 19 2.825 4.769 10.839 155 HE2 HIS 19 HE2 HIS 19 1.499 4.226 12.908 156 H PHE 20 H PHE 20 -0.629 1.038 6.857 157 HA PHE 20 HA PHE 20 1.896 -0.214 7.656 158 1HB PHE 20 1HB PHE 20 1.358 -2.029 5.929 159 2HB PHE 20 2HB PHE 20 0.500 -2.111 7.464 160 HD1 PHE 20 HD1 PHE 20 -1.865 -1.776 7.586 161 HD2 PHE 20 HD2 PHE 20 0.189 -1.329 3.884 162 HE1 PHE 20 HE1 PHE 20 -4.018 -1.789 6.396 163 HE2 PHE 20 HE2 PHE 20 -1.962 -1.341 2.690 164 HZ PHE 20 HZ PHE 20 -4.067 -1.568 3.944 165 H ASP 21 H ASP 21 3.238 -0.717 5.651 166 HA ASP 21 HA ASP 21 3.162 1.671 3.961 167 1HB ASP 21 1HB ASP 21 5.334 -0.418 4.268 168 2HB ASP 21 2HB ASP 21 5.457 1.057 3.319 169 H VAL 22 H VAL 22 2.014 1.445 2.153 170 HA VAL 22 HA VAL 22 1.951 -1.094 0.740 171 HB VAL 22 HB VAL 22 0.731 1.554 -0.068 172 1HG1 VAL 22 1HG1 VAL 22 1.024 0.050 -1.954 173 2HG1 VAL 22 2HG1 VAL 22 0.220 -1.245 -1.066 174 3HG1 VAL 22 3HG1 VAL 22 -0.685 0.191 -1.540 175 1HG2 VAL 22 1HG2 VAL 22 -0.183 0.779 2.058 176 2HG2 VAL 22 2HG2 VAL 22 -1.380 0.660 0.767 177 3HG2 VAL 22 3HG2 VAL 22 -0.547 -0.787 1.335 178 H PHE 23 H PHE 23 3.806 -1.543 -0.292 179 HA PHE 23 HA PHE 23 5.227 0.576 -1.722 180 1HB PHE 23 1HB PHE 23 5.935 -2.310 -1.167 181 2HB PHE 23 2HB PHE 23 6.933 -1.225 -2.124 182 HD1 PHE 23 HD1 PHE 23 7.902 0.811 -1.014 183 HD2 PHE 23 HD2 PHE 23 6.063 -2.343 1.166 184 HE1 PHE 23 HE1 PHE 23 9.059 1.549 1.027 185 HE2 PHE 23 HE2 PHE 23 7.210 -1.606 3.210 186 HZ PHE 23 HZ PHE 23 8.711 0.343 3.145 187 H THR 24 H THR 24 4.527 0.988 -3.722 188 HA THR 24 HA THR 24 4.294 -1.301 -5.532 189 HB THR 24 HB THR 24 1.978 -0.727 -4.918 190 HG1 THR 24 HG1 THR 24 1.767 -1.385 -6.926 191 1HG2 THR 24 1HG2 THR 24 1.012 1.425 -5.605 192 2HG2 THR 24 2HG2 THR 24 2.278 1.645 -4.398 193 3HG2 THR 24 3HG2 THR 24 2.611 1.985 -6.095 194 H ASP 25 H ASP 25 4.590 -0.719 -7.793 195 HA ASP 25 HA ASP 25 6.357 1.595 -8.060 196 1HB ASP 25 1HB ASP 25 7.186 -0.549 -8.921 197 2HB ASP 25 2HB ASP 25 5.792 -0.670 -9.991 198 H VAL 26 H VAL 26 3.164 0.681 -8.652 199 HA VAL 26 HA VAL 26 2.583 2.099 -11.015 200 HB VAL 26 HB VAL 26 0.736 1.536 -8.683 201 1HG1 VAL 26 1HG1 VAL 26 0.118 2.160 -11.569 202 2HG1 VAL 26 2HG1 VAL 26 -1.064 1.721 -10.334 203 3HG1 VAL 26 3HG1 VAL 26 -0.157 3.229 -10.193 204 1HG2 VAL 26 1HG2 VAL 26 1.278 -0.089 -11.168 205 2HG2 VAL 26 2HG2 VAL 26 1.747 -0.514 -9.522 206 3HG2 VAL 26 3HG2 VAL 26 0.041 -0.440 -9.962 207 H ARG 27 H ARG 27 2.322 4.211 -11.414 208 HA ARG 27 HA ARG 27 2.462 6.062 -9.144 209 1HB ARG 27 1HB ARG 27 4.056 6.347 -11.052 210 2HB ARG 27 2HB ARG 27 2.680 6.674 -12.098 211 1HG ARG 27 1HG ARG 27 2.107 8.597 -10.628 212 2HG ARG 27 2HG ARG 27 3.607 8.305 -9.747 213 1HD ARG 27 1HD ARG 27 3.367 8.956 -12.683 214 2HD ARG 27 2HD ARG 27 3.877 10.068 -11.416 215 HE ARG 27 HE ARG 27 5.468 7.656 -11.653 216 1HH1 ARG 27 1HH1 ARG 27 5.089 11.021 -12.569 217 2HH1 ARG 27 2HH1 ARG 27 6.749 11.205 -13.051 218 1HH2 ARG 27 1HH2 ARG 27 7.653 7.908 -12.292 219 2HH2 ARG 27 2HH2 ARG 27 8.194 9.450 -12.906 220 H ASP 28 H ASP 28 0.310 5.665 -8.487 221 HA ASP 28 HA ASP 28 -1.607 7.429 -9.615 222 1HB ASP 28 1HB ASP 28 -1.774 5.529 -11.231 223 2HB ASP 28 2HB ASP 28 -2.221 4.476 -9.891 224 H ASP 29 H ASP 29 -3.033 8.000 -8.073 225 HA ASP 29 HA ASP 29 -2.609 6.879 -5.441 226 1HB ASP 29 1HB ASP 29 -4.420 9.132 -6.342 227 2HB ASP 29 2HB ASP 29 -4.067 8.714 -4.670 228 H LYS 30 H LYS 30 -5.080 6.864 -7.900 229 HA LYS 30 HA LYS 30 -7.222 5.962 -6.260 230 1HB LYS 30 1HB LYS 30 -7.542 7.050 -8.468 231 2HB LYS 30 2HB LYS 30 -6.829 5.643 -9.243 232 1HG LYS 30 1HG LYS 30 -8.662 4.262 -8.318 233 2HG LYS 30 2HG LYS 30 -9.402 5.736 -7.687 234 1HD LYS 30 1HD LYS 30 -9.434 6.627 -10.016 235 2HD LYS 30 2HD LYS 30 -8.874 5.050 -10.574 236 1HE LYS 30 1HE LYS 30 -11.255 5.154 -10.835 237 2HE LYS 30 2HE LYS 30 -10.882 4.032 -9.526 238 1HZ LYS 30 1HZ LYS 30 -11.793 6.844 -9.232 239 2HZ LYS 30 2HZ LYS 30 -12.698 5.452 -8.898 240 3HZ LYS 30 3HZ LYS 30 -11.350 5.834 -7.944 241 H LYS 31 H LYS 31 -4.908 4.364 -8.398 242 HA LYS 31 HA LYS 31 -5.884 1.736 -8.048 243 1HB LYS 31 1HB LYS 31 -4.182 2.764 -9.766 244 2HB LYS 31 2HB LYS 31 -2.988 2.305 -8.560 245 1HG LYS 31 1HG LYS 31 -3.156 0.572 -10.206 246 2HG LYS 31 2HG LYS 31 -3.818 -0.019 -8.680 247 1HD LYS 31 1HD LYS 31 -6.071 0.327 -9.462 248 2HD LYS 31 2HD LYS 31 -5.482 1.104 -10.933 249 1HE LYS 31 1HE LYS 31 -6.160 -1.173 -11.406 250 2HE LYS 31 2HE LYS 31 -4.417 -1.004 -11.605 251 1HZ LYS 31 1HZ LYS 31 -4.212 -1.910 -9.307 252 2HZ LYS 31 2HZ LYS 31 -5.868 -2.263 -9.342 253 3HZ LYS 31 3HZ LYS 31 -4.808 -3.011 -10.442 254 H ALA 32 H ALA 32 -3.604 3.706 -6.251 255 HA ALA 32 HA ALA 32 -2.592 1.680 -4.555 256 1HB ALA 32 1HB ALA 32 -1.849 3.511 -3.119 257 2HB ALA 32 2HB ALA 32 -1.492 3.851 -4.813 258 3HB ALA 32 3HB ALA 32 -2.859 4.640 -4.024 259 H ILE 33 H ILE 33 -5.248 4.005 -4.185 260 HA ILE 33 HA ILE 33 -6.197 3.189 -1.689 261 HB ILE 33 HB ILE 33 -7.678 4.303 -4.078 262 1HG1 ILE 33 1HG1 ILE 33 -6.747 5.588 -1.498 263 2HG1 ILE 33 2HG1 ILE 33 -5.972 5.771 -3.068 264 1HG2 ILE 33 1HG2 ILE 33 -9.526 4.816 -2.569 265 2HG2 ILE 33 2HG2 ILE 33 -9.250 3.077 -2.675 266 3HG2 ILE 33 3HG2 ILE 33 -8.698 3.973 -1.259 267 1HD1 ILE 33 1HD1 ILE 33 -7.985 6.862 -3.926 268 2HD1 ILE 33 2HD1 ILE 33 -8.746 6.687 -2.346 269 3HD1 ILE 33 3HD1 ILE 33 -7.320 7.708 -2.530 270 H GLU 34 H GLU 34 -6.875 1.975 -4.927 271 HA GLU 34 HA GLU 34 -8.809 0.062 -4.306 272 1HB GLU 34 1HB GLU 34 -8.240 0.730 -6.599 273 2HB GLU 34 2HB GLU 34 -6.664 -0.031 -6.436 274 1HG GLU 34 1HG GLU 34 -7.912 -2.194 -6.011 275 2HG GLU 34 2HG GLU 34 -9.356 -1.344 -6.562 276 H PHE 35 H PHE 35 -5.268 -0.214 -4.413 277 HA PHE 35 HA PHE 35 -5.073 -2.954 -3.882 278 1HB PHE 35 1HB PHE 35 -3.154 -0.716 -3.208 279 2HB PHE 35 2HB PHE 35 -2.760 -2.426 -3.081 280 HD1 PHE 35 HD1 PHE 35 -1.484 -0.150 -4.787 281 HD2 PHE 35 HD2 PHE 35 -4.270 -3.253 -5.630 282 HE1 PHE 35 HE1 PHE 35 -0.758 -0.155 -7.136 283 HE2 PHE 35 HE2 PHE 35 -3.549 -3.264 -7.984 284 HZ PHE 35 HZ PHE 35 -1.789 -1.715 -8.739 285 H ALA 36 H ALA 36 -5.153 -0.185 -1.688 286 HA ALA 36 HA ALA 36 -4.678 -1.556 0.701 287 1HB ALA 36 1HB ALA 36 -4.595 0.880 0.513 288 2HB ALA 36 2HB ALA 36 -6.344 0.924 0.281 289 3HB ALA 36 3HB ALA 36 -5.670 0.373 1.815 290 H LYS 37 H LYS 37 -7.718 -0.852 -0.984 291 HA LYS 37 HA LYS 37 -9.401 -1.932 1.023 292 1HB LYS 37 1HB LYS 37 -9.923 -1.542 -1.926 293 2HB LYS 37 2HB LYS 37 -11.149 -1.931 -0.728 294 1HG LYS 37 1HG LYS 37 -10.593 0.182 0.447 295 2HG LYS 37 2HG LYS 37 -9.498 0.579 -0.879 296 1HD LYS 37 1HD LYS 37 -11.386 0.445 -2.451 297 2HD LYS 37 2HD LYS 37 -12.469 0.108 -1.099 298 1HE LYS 37 1HE LYS 37 -11.842 2.275 -0.101 299 2HE LYS 37 2HE LYS 37 -10.841 2.611 -1.513 300 1HZ LYS 37 1HZ LYS 37 -12.930 3.691 -1.782 301 2HZ LYS 37 2HZ LYS 37 -12.877 2.398 -2.878 302 3HZ LYS 37 3HZ LYS 37 -13.789 2.263 -1.453 303 H GLN 38 H GLN 38 -7.796 -3.330 -1.773 304 HA GLN 38 HA GLN 38 -9.152 -5.768 -1.921 305 1HB GLN 38 1HB GLN 38 -6.258 -5.126 -2.508 306 2HB GLN 38 2HB GLN 38 -7.032 -6.647 -2.930 307 1HG GLN 38 1HG GLN 38 -7.837 -3.926 -3.931 308 2HG GLN 38 2HG GLN 38 -6.915 -5.130 -4.830 309 1HE2 GLN 38 2HE2 GLN 38 -7.942 -6.956 -5.600 310 2HE2 GLN 38 1HE2 GLN 38 -9.666 -7.076 -5.692 311 H TRP 39 H TRP 39 -6.297 -4.868 -0.033 312 HA TRP 39 HA TRP 39 -5.930 -7.381 1.193 313 1HB TRP 39 1HB TRP 39 -4.216 -5.571 1.093 314 2HB TRP 39 2HB TRP 39 -5.160 -4.657 2.264 315 HD1 TRP 39 HD1 TRP 39 -3.289 -8.043 2.036 316 HE1 TRP 39 HE1 TRP 39 -2.395 -8.611 4.381 317 HE3 TRP 39 HE3 TRP 39 -5.301 -4.135 4.646 318 HZ2 TRP 39 HZ2 TRP 39 -2.522 -7.542 6.989 319 HZ3 TRP 39 HZ3 TRP 39 -4.864 -3.979 7.063 320 HH2 TRP 39 HH2 TRP 39 -3.502 -5.649 8.209 321 H LEU 40 H LEU 40 -7.771 -4.513 2.095 322 HA LEU 40 HA LEU 40 -8.513 -5.353 4.680 323 1HB LEU 40 1HB LEU 40 -9.914 -3.465 2.789 324 2HB LEU 40 2HB LEU 40 -10.281 -3.637 4.496 325 HG LEU 40 HG LEU 40 -7.665 -2.661 3.347 326 1HD1 LEU 40 1HD1 LEU 40 -8.302 -0.513 4.293 327 2HD1 LEU 40 2HD1 LEU 40 -9.484 -1.054 3.100 328 3HD1 LEU 40 3HD1 LEU 40 -9.841 -1.192 4.821 329 1HD2 LEU 40 1HD2 LEU 40 -7.347 -3.899 5.425 330 2HD2 LEU 40 2HD2 LEU 40 -7.071 -2.173 5.664 331 3HD2 LEU 40 3HD2 LEU 40 -8.578 -2.908 6.211 332 H SER 41 H SER 41 -10.176 -5.653 1.546 333 HA SER 41 HA SER 41 -12.473 -6.949 2.518 334 1HB SER 41 1HB SER 41 -11.144 -7.304 -0.182 335 2HB SER 41 2HB SER 41 -12.828 -7.661 0.208 336 HG SER 41 HG SER 41 -12.942 -5.346 0.806 337 H SER 42 H SER 42 -9.282 -8.117 1.696 338 HA SER 42 HA SER 42 -9.942 -10.878 1.676 339 1HB SER 42 1HB SER 42 -7.955 -9.815 0.545 340 2HB SER 42 2HB SER 42 -7.220 -9.651 2.140 341 HG SER 42 HG SER 42 -7.583 -11.893 0.558 342 H ILE 43 H ILE 43 -8.504 -8.737 4.150 343 HA ILE 43 HA ILE 43 -8.079 -10.866 5.998 344 HB ILE 43 HB ILE 43 -7.614 -9.124 7.670 345 1HG1 ILE 43 1HG1 ILE 43 -8.286 -7.168 5.461 346 2HG1 ILE 43 2HG1 ILE 43 -9.288 -7.470 6.875 347 1HG2 ILE 43 1HG2 ILE 43 -5.840 -9.881 6.217 348 2HG2 ILE 43 2HG2 ILE 43 -6.310 -8.709 4.986 349 3HG2 ILE 43 3HG2 ILE 43 -5.659 -8.154 6.529 350 1HD1 ILE 43 1HD1 ILE 43 -6.493 -6.357 6.900 351 2HD1 ILE 43 2HD1 ILE 43 -7.984 -5.440 7.124 352 3HD1 ILE 43 3HD1 ILE 43 -7.506 -6.648 8.316 353 H GLY 44 H GLY 44 -10.815 -8.850 5.295 354 1HA GLY 44 1HA GLY 44 -12.889 -10.070 6.080 355 2HA GLY 44 2HA GLY 44 -12.163 -9.967 7.675 356 H GLU 45 H GLU 45 -11.176 -7.177 6.667 357 HA GLU 45 HA GLU 45 -13.131 -5.639 7.955 358 1HB GLU 45 1HB GLU 45 -10.948 -4.876 6.018 359 2HB GLU 45 2HB GLU 45 -11.993 -3.689 6.788 360 1HG GLU 45 1HG GLU 45 -10.171 -5.618 8.208 361 2HG GLU 45 2HG GLU 45 -9.878 -3.896 7.960 362 H GLU 46 H GLU 46 -12.677 -6.519 4.614 363 HA GLU 46 HA GLU 46 -14.061 -6.533 2.829 364 1HB GLU 46 1HB GLU 46 -15.807 -7.293 4.385 365 2HB GLU 46 2HB GLU 46 -16.194 -5.621 4.771 366 1HG GLU 46 1HG GLU 46 -17.801 -6.535 3.216 367 2HG GLU 46 2HG GLU 46 -16.870 -5.246 2.455 368 H GLY 47 H GLY 47 -15.367 -3.765 4.654 369 1HA GLY 47 1HA GLY 47 -14.418 -2.015 2.486 370 2HA GLY 47 2HA GLY 47 -16.107 -1.975 2.970 371 H ALA 48 H ALA 48 -13.029 -0.739 3.510 372 HA ALA 48 HA ALA 48 -14.000 0.679 5.899 373 1HB ALA 48 1HB ALA 48 -11.731 0.856 6.697 374 2HB ALA 48 2HB ALA 48 -12.099 -0.841 6.391 375 3HB ALA 48 3HB ALA 48 -11.119 0.071 5.243 376 H THR 49 H THR 49 -13.274 2.897 6.076 377 HA THR 49 HA THR 49 -13.551 4.284 3.622 378 HB THR 49 HB THR 49 -12.650 5.431 6.269 379 HG1 THR 49 HG1 THR 49 -14.803 5.577 6.796 380 1HG2 THR 49 1HG2 THR 49 -12.427 6.958 4.373 381 2HG2 THR 49 2HG2 THR 49 -14.103 6.652 3.916 382 3HG2 THR 49 3HG2 THR 49 -13.740 7.474 5.432 383 H VAL 50 H VAL 50 -11.944 4.151 2.160 384 HA VAL 50 HA VAL 50 -9.253 4.948 3.069 385 HB VAL 50 HB VAL 50 -9.856 3.159 0.705 386 1HG1 VAL 50 1HG1 VAL 50 -7.438 2.773 0.682 387 2HG1 VAL 50 2HG1 VAL 50 -7.825 4.476 0.441 388 3HG1 VAL 50 3HG1 VAL 50 -7.244 3.917 2.009 389 1HG2 VAL 50 1HG2 VAL 50 -10.361 1.989 2.782 390 2HG2 VAL 50 2HG2 VAL 50 -8.902 1.336 2.038 391 3HG2 VAL 50 3HG2 VAL 50 -8.776 2.419 3.423 392 H THR 51 H THR 51 -9.228 7.052 2.583 393 HA THR 51 HA THR 51 -9.889 7.842 -0.180 394 HB THR 51 HB THR 51 -10.398 10.103 0.745 395 HG1 THR 51 HG1 THR 51 -10.898 9.715 3.234 396 1HG2 THR 51 1HG2 THR 51 -12.567 9.520 1.734 397 2HG2 THR 51 2HG2 THR 51 -12.219 8.529 0.319 398 3HG2 THR 51 3HG2 THR 51 -12.026 7.853 1.937 399 H SER 52 H SER 52 -8.822 10.344 -0.229 400 HA SER 52 HA SER 52 -6.013 9.924 -0.354 401 1HB SER 52 1HB SER 52 -7.464 12.582 -0.368 402 2HB SER 52 2HB SER 52 -5.884 12.222 -1.064 403 HG SER 52 HG SER 52 -6.805 11.228 -2.730 404 H GLU 53 H GLU 53 -8.049 10.487 2.207 405 HA GLU 53 HA GLU 53 -6.281 12.090 3.823 406 1HB GLU 53 1HB GLU 53 -8.834 12.013 3.965 407 2HB GLU 53 2HB GLU 53 -8.637 10.456 4.756 408 1HG GLU 53 1HG GLU 53 -8.869 11.945 6.511 409 2HG GLU 53 2HG GLU 53 -7.126 11.701 6.402 410 H GLU 54 H GLU 54 -7.245 8.711 3.549 411 HA GLU 54 HA GLU 54 -5.573 7.953 5.800 412 1HB GLU 54 1HB GLU 54 -7.278 6.194 4.031 413 2HB GLU 54 2HB GLU 54 -6.559 5.754 5.573 414 1HG GLU 54 1HG GLU 54 -8.738 7.780 5.123 415 2HG GLU 54 2HG GLU 54 -8.910 6.183 5.850 416 H CYS 55 H CYS 55 -5.777 7.367 2.306 417 HA CYS 55 HA CYS 55 -3.219 5.951 2.406 418 1HB CYS 55 1HB CYS 55 -5.192 5.057 1.075 419 2HB CYS 55 2HB CYS 55 -4.967 6.420 -0.017 420 HG CYS 55 HG CYS 55 -2.710 3.913 0.572 421 H ARG 56 H ARG 56 -1.482 7.212 2.343 422 HA ARG 56 HA ARG 56 -1.566 9.629 0.655 423 1HB ARG 56 1HB ARG 56 -0.219 9.336 3.346 424 2HB ARG 56 2HB ARG 56 -0.208 10.777 2.339 425 1HG ARG 56 1HG ARG 56 -2.565 11.085 2.651 426 2HG ARG 56 2HG ARG 56 -2.694 9.545 3.504 427 1HD ARG 56 1HD ARG 56 -2.681 11.390 5.081 428 2HD ARG 56 2HD ARG 56 -1.228 10.409 5.267 429 HE ARG 56 HE ARG 56 -1.233 12.949 3.755 430 1HH1 ARG 56 1HH1 ARG 56 0.200 10.777 6.107 431 2HH1 ARG 56 2HH1 ARG 56 1.513 11.847 6.480 432 1HH2 ARG 56 1HH2 ARG 56 0.481 14.350 4.241 433 2HH2 ARG 56 2HH2 ARG 56 1.689 13.883 5.402 434 H PHE 57 H PHE 57 0.328 10.177 -0.425 435 HA PHE 57 HA PHE 57 2.314 8.059 -0.660 436 1HB PHE 57 1HB PHE 57 1.505 9.157 -2.709 437 2HB PHE 57 2HB PHE 57 2.065 10.713 -2.107 438 HD1 PHE 57 HD1 PHE 57 4.365 11.334 -2.231 439 HD2 PHE 57 HD2 PHE 57 3.125 7.436 -3.396 440 HE1 PHE 57 HE1 PHE 57 6.560 10.952 -3.269 441 HE2 PHE 57 HE2 PHE 57 5.321 7.047 -4.436 442 HZ PHE 57 HZ PHE 57 7.041 8.806 -4.370 443 H CYS 58 H CYS 58 3.931 8.018 0.747 444 HA CYS 58 HA CYS 58 4.613 10.453 2.185 445 1HB CYS 58 1HB CYS 58 5.468 7.587 2.612 446 2HB CYS 58 2HB CYS 58 5.926 8.940 3.645 447 HG CYS 58 HG CYS 58 3.357 9.492 4.511 448 H HIS 59 H HIS 59 6.280 7.987 0.210 449 HA HIS 59 HA HIS 59 8.166 9.873 -0.766 450 1HB HIS 59 1HB HIS 59 8.965 9.595 1.571 451 2HB HIS 59 2HB HIS 59 9.237 7.896 1.268 452 HD1 HIS 59 HD1 HIS 59 10.415 11.269 -0.071 453 HD2 HIS 59 HD2 HIS 59 11.794 7.390 0.537 454 HE1 HIS 59 HE1 HIS 59 12.846 11.305 -0.705 455 HE2 HIS 59 HE2 HIS 59 13.706 9.012 -0.109 456 H SER 60 H SER 60 9.999 8.725 -1.842 457 HA SER 60 HA SER 60 9.444 5.991 -2.693 458 1HB SER 60 1HB SER 60 8.305 7.571 -4.327 459 2HB SER 60 2HB SER 60 9.907 8.193 -4.723 460 HG SER 60 HG SER 60 9.440 5.423 -4.832 461 H GLU 61 H GLU 61 11.400 4.897 -3.303 462 HA GLU 61 HA GLU 61 13.882 6.318 -3.258 463 1HB GLU 61 1HB GLU 61 14.673 5.418 -1.080 464 2HB GLU 61 2HB GLU 61 13.372 6.589 -0.920 465 1HG GLU 61 1HG GLU 61 11.781 4.675 -0.712 466 2HG GLU 61 2HG GLU 61 13.177 3.598 -0.665 467 H LYS 62 H LYS 62 15.709 4.628 -2.673 468 HA LYS 62 HA LYS 62 15.777 2.807 -4.757 469 1HB LYS 62 1HB LYS 62 17.779 3.650 -3.653 470 2HB LYS 62 2HB LYS 62 17.352 2.798 -2.177 471 1HG LYS 62 1HG LYS 62 17.619 0.660 -3.336 472 2HG LYS 62 2HG LYS 62 18.060 1.522 -4.814 473 1HD LYS 62 1HD LYS 62 20.000 2.474 -3.708 474 2HD LYS 62 2HD LYS 62 19.542 1.697 -2.191 475 1HE LYS 62 1HE LYS 62 19.829 -0.495 -3.216 476 2HE LYS 62 2HE LYS 62 20.257 0.268 -4.749 477 1HZ LYS 62 1HZ LYS 62 22.205 -0.459 -3.473 478 2HZ LYS 62 2HZ LYS 62 22.203 1.219 -3.727 479 3HZ LYS 62 3HZ LYS 62 21.770 0.589 -2.211 480 H ALA 63 H ALA 63 14.513 1.129 -5.046 481 HA ALA 63 HA ALA 63 13.203 -0.194 -2.859 482 1HB ALA 63 1HB ALA 63 12.077 -1.480 -4.580 483 2HB ALA 63 2HB ALA 63 12.059 0.239 -4.983 484 3HB ALA 63 3HB ALA 63 13.183 -0.847 -5.801 485 HA PRO 64 HA PRO 64 16.186 -3.530 -2.307 486 1HB PRO 64 1HB PRO 64 13.789 -4.797 -1.099 487 2HB PRO 64 2HB PRO 64 15.404 -4.573 -0.419 488 1HG PRO 64 1HG PRO 64 13.339 -3.099 0.418 489 2HG PRO 64 2HG PRO 64 14.962 -2.400 0.252 490 1HD PRO 64 1HD PRO 64 12.587 -2.130 -1.543 491 2HD PRO 64 2HD PRO 64 13.799 -0.916 -1.087 492 H ASP 65 H ASP 65 16.496 -5.477 -3.377 493 HA ASP 65 HA ASP 65 15.125 -5.757 -5.818 494 1HB ASP 65 1HB ASP 65 17.460 -6.455 -5.499 495 2HB ASP 65 2HB ASP 65 16.933 -7.744 -4.423 496 H GLU 66 H GLU 66 14.815 -7.493 -2.764 497 HA GLU 66 HA GLU 66 13.278 -9.632 -3.802 498 1HB GLU 66 1HB GLU 66 14.545 -9.877 -1.760 499 2HB GLU 66 2HB GLU 66 13.602 -8.618 -0.978 500 1HG GLU 66 1HG GLU 66 11.681 -9.978 -0.890 501 2HG GLU 66 2HG GLU 66 12.379 -11.161 -1.993 502 H VAL 67 H VAL 67 12.379 -6.487 -2.480 503 HA VAL 67 HA VAL 67 9.619 -7.189 -2.154 504 HB VAL 67 HB VAL 67 9.178 -4.884 -1.672 505 1HG1 VAL 67 1HG1 VAL 67 11.830 -5.725 -0.521 506 2HG1 VAL 67 2HG1 VAL 67 10.782 -4.470 0.144 507 3HG1 VAL 67 3HG1 VAL 67 10.232 -6.146 0.096 508 1HG2 VAL 67 1HG2 VAL 67 10.455 -3.841 -3.464 509 2HG2 VAL 67 2HG2 VAL 67 10.844 -3.119 -1.902 510 3HG2 VAL 67 3HG2 VAL 67 11.960 -4.266 -2.648 511 H ILE 68 H ILE 68 11.566 -6.240 -4.782 512 HA ILE 68 HA ILE 68 9.669 -5.049 -6.482 513 HB ILE 68 HB ILE 68 12.092 -6.729 -7.154 514 1HG1 ILE 68 1HG1 ILE 68 12.656 -4.722 -5.899 515 2HG1 ILE 68 2HG1 ILE 68 13.175 -4.547 -7.572 516 1HG2 ILE 68 1HG2 ILE 68 10.554 -6.684 -9.036 517 2HG2 ILE 68 2HG2 ILE 68 10.486 -4.923 -8.954 518 3HG2 ILE 68 3HG2 ILE 68 11.997 -5.729 -9.381 519 1HD1 ILE 68 1HD1 ILE 68 11.229 -3.156 -8.032 520 2HD1 ILE 68 2HD1 ILE 68 10.697 -3.345 -6.360 521 3HD1 ILE 68 3HD1 ILE 68 12.202 -2.495 -6.717 522 H GLU 69 H GLU 69 10.511 -8.388 -5.809 523 HA GLU 69 HA GLU 69 9.056 -9.659 -7.832 524 1HB GLU 69 1HB GLU 69 10.751 -10.702 -6.290 525 2HB GLU 69 2HB GLU 69 9.524 -10.695 -5.031 526 1HG GLU 69 1HG GLU 69 9.638 -12.872 -6.025 527 2HG GLU 69 2HG GLU 69 8.102 -12.118 -6.454 528 H ALA 70 H ALA 70 8.120 -8.692 -4.562 529 HA ALA 70 HA ALA 70 5.554 -9.854 -4.583 530 1HB ALA 70 1HB ALA 70 6.702 -9.178 -2.534 531 2HB ALA 70 2HB ALA 70 6.535 -7.485 -3.000 532 3HB ALA 70 3HB ALA 70 5.100 -8.449 -2.649 533 H ILE 71 H ILE 71 6.732 -6.664 -5.520 534 HA ILE 71 HA ILE 71 4.195 -5.505 -6.017 535 HB ILE 71 HB ILE 71 6.854 -4.776 -7.267 536 1HG1 ILE 71 1HG1 ILE 71 5.491 -3.659 -4.804 537 2HG1 ILE 71 2HG1 ILE 71 6.884 -4.735 -4.788 538 1HG2 ILE 71 1HG2 ILE 71 5.834 -2.571 -7.609 539 2HG2 ILE 71 2HG2 ILE 71 4.967 -3.835 -8.479 540 3HG2 ILE 71 3HG2 ILE 71 4.306 -3.185 -6.979 541 1HD1 ILE 71 1HD1 ILE 71 8.198 -3.033 -5.958 542 2HD1 ILE 71 2HD1 ILE 71 6.803 -1.954 -5.932 543 3HD1 ILE 71 3HD1 ILE 71 7.565 -2.448 -4.420 544 H LYS 72 H LYS 72 6.350 -7.501 -7.933 545 HA LYS 72 HA LYS 72 5.016 -7.177 -10.411 546 1HB LYS 72 1HB LYS 72 6.638 -9.482 -9.337 547 2HB LYS 72 2HB LYS 72 6.059 -9.379 -10.990 548 1HG LYS 72 1HG LYS 72 7.411 -7.393 -11.358 549 2HG LYS 72 2HG LYS 72 7.967 -7.452 -9.681 550 1HD LYS 72 1HD LYS 72 8.981 -9.624 -10.072 551 2HD LYS 72 2HD LYS 72 8.374 -9.629 -11.728 552 1HE LYS 72 1HE LYS 72 9.754 -7.696 -12.253 553 2HE LYS 72 2HE LYS 72 10.331 -7.640 -10.586 554 1HZ LYS 72 1HZ LYS 72 11.336 -9.800 -10.878 555 2HZ LYS 72 2HZ LYS 72 10.742 -9.907 -12.465 556 3HZ LYS 72 3HZ LYS 72 11.907 -8.737 -12.072 557 H GLN 73 H GLN 73 4.815 -9.683 -7.930 558 HA GLN 73 HA GLN 73 2.908 -11.237 -9.340 559 1HB GLN 73 1HB GLN 73 3.615 -11.369 -6.406 560 2HB GLN 73 2HB GLN 73 2.838 -12.631 -7.354 561 1HG GLN 73 1HG GLN 73 5.652 -11.607 -7.669 562 2HG GLN 73 2HG GLN 73 5.156 -13.173 -7.030 563 1HE2 GLN 73 2HE2 GLN 73 6.905 -12.529 -9.289 564 2HE2 GLN 73 1HE2 GLN 73 6.187 -13.300 -10.668 565 H ASN 74 H ASN 74 2.590 -9.120 -6.481 566 HA ASN 74 HA ASN 74 -0.298 -9.599 -6.544 567 1HB ASN 74 1HB ASN 74 1.409 -8.218 -4.463 568 2HB ASN 74 2HB ASN 74 -0.330 -8.445 -4.344 569 1HD2 ASN 74 2HD2 ASN 74 2.765 -9.897 -4.024 570 2HD2 ASN 74 1HD2 ASN 74 2.227 -11.421 -3.416 571 H GLY 75 H GLY 75 1.984 -7.255 -7.482 572 1HA GLY 75 1HA GLY 75 1.498 -5.299 -8.699 573 2HA GLY 75 2HA GLY 75 -0.159 -5.371 -8.110 574 H TYR 76 H TYR 76 1.292 -5.940 -5.412 575 HA TYR 76 HA TYR 76 2.407 -3.412 -4.685 576 1HB TYR 76 1HB TYR 76 0.642 -2.824 -3.037 577 2HB TYR 76 2HB TYR 76 0.068 -2.741 -4.699 578 HD1 TYR 76 HD1 TYR 76 -1.350 -4.658 -5.580 579 HD2 TYR 76 HD2 TYR 76 -0.438 -4.197 -1.452 580 HE1 TYR 76 HE1 TYR 76 -3.232 -6.131 -5.009 581 HE2 TYR 76 HE2 TYR 76 -2.317 -5.672 -0.867 582 HH TYR 76 HH TYR 76 -3.938 -7.585 -3.159 583 H PHE 77 H PHE 77 3.525 -3.539 -2.792 584 HA PHE 77 HA PHE 77 3.441 -6.133 -1.413 585 1HB PHE 77 1HB PHE 77 5.624 -5.619 -2.338 586 2HB PHE 77 2HB PHE 77 5.624 -4.042 -1.560 587 HD1 PHE 77 HD1 PHE 77 5.301 -7.649 -0.651 588 HD2 PHE 77 HD2 PHE 77 6.815 -3.809 0.382 589 HE1 PHE 77 HE1 PHE 77 6.418 -8.621 1.315 590 HE2 PHE 77 HE2 PHE 77 7.934 -4.773 2.347 591 HZ PHE 77 HZ PHE 77 7.737 -7.183 2.817 592 H ILE 78 H ILE 78 2.340 -6.140 0.411 593 HA ILE 78 HA ILE 78 1.909 -3.655 1.869 594 HB ILE 78 HB ILE 78 0.809 -6.430 2.363 595 1HG1 ILE 78 1HG1 ILE 78 -0.048 -5.404 0.308 596 2HG1 ILE 78 2HG1 ILE 78 -1.308 -5.503 1.532 597 1HG2 ILE 78 1HG2 ILE 78 0.951 -5.180 4.442 598 2HG2 ILE 78 2HG2 ILE 78 0.119 -3.813 3.699 599 3HG2 ILE 78 3HG2 ILE 78 -0.731 -5.341 3.936 600 1HD1 ILE 78 1HD1 ILE 78 -0.972 -3.133 2.048 601 2HD1 ILE 78 2HD1 ILE 78 0.265 -3.047 0.793 602 3HD1 ILE 78 3HD1 ILE 78 -1.409 -3.394 0.359 603 H TYR 79 H TYR 79 3.520 -3.083 3.172 604 HA TYR 79 HA TYR 79 4.927 -5.142 4.702 605 1HB TYR 79 1HB TYR 79 6.159 -3.282 3.482 606 2HB TYR 79 2HB TYR 79 5.479 -2.174 4.666 607 HD1 TYR 79 HD1 TYR 79 6.441 -1.952 6.824 608 HD2 TYR 79 HD2 TYR 79 7.701 -5.098 4.252 609 HE1 TYR 79 HE1 TYR 79 8.314 -2.438 8.344 610 HE2 TYR 79 HE2 TYR 79 9.575 -5.593 5.762 611 HH TYR 79 HH TYR 79 9.803 -4.312 8.906 612 H LYS 80 H LYS 80 3.856 -5.734 6.471 613 HA LYS 80 HA LYS 80 1.962 -4.094 7.795 614 1HB LYS 80 1HB LYS 80 3.288 -6.695 8.529 615 2HB LYS 80 2HB LYS 80 2.151 -5.896 9.603 616 1HG LYS 80 1HG LYS 80 0.424 -6.034 7.880 617 2HG LYS 80 2HG LYS 80 1.568 -6.840 6.804 618 1HD LYS 80 1HD LYS 80 1.690 -8.740 8.198 619 2HD LYS 80 2HD LYS 80 0.894 -7.906 9.533 620 1HE LYS 80 1HE LYS 80 -1.167 -7.790 8.199 621 2HE LYS 80 2HE LYS 80 -0.364 -8.679 6.904 622 1HZ LYS 80 1HZ LYS 80 -0.601 -9.761 9.654 623 2HZ LYS 80 2HZ LYS 80 -1.801 -10.007 8.477 624 3HZ LYS 80 3HZ LYS 80 -0.231 -10.597 8.219 625 H MET 81 H MET 81 2.764 -2.216 8.551 626 HA MET 81 HA MET 81 5.141 -2.022 10.104 627 1HB MET 81 1HB MET 81 4.029 -0.145 8.795 628 2HB MET 81 2HB MET 81 2.832 -0.072 10.081 629 1HG MET 81 1HG MET 81 4.675 0.369 11.686 630 2HG MET 81 2HG MET 81 5.786 0.445 10.321 631 1HE MET 81 1HE MET 81 5.452 2.259 8.295 632 2HE MET 81 2HE MET 81 4.217 3.516 8.338 633 3HE MET 81 3HE MET 81 3.747 1.825 8.171 634 H GLU 82 H GLU 82 5.176 -1.380 12.398 635 HA GLU 82 HA GLU 82 3.968 -3.161 14.094 636 1HB GLU 82 1HB GLU 82 4.563 -1.574 15.923 637 2HB GLU 82 2HB GLU 82 5.877 -1.906 14.803 638 1HG GLU 82 1HG GLU 82 5.390 0.222 13.655 639 2HG GLU 82 2HG GLU 82 4.152 0.559 14.865 640 H GLY 83 H GLY 83 2.066 -3.388 15.055 641 1HA GLY 83 1HA GLY 83 0.117 -2.344 16.122 642 2HA GLY 83 2HA GLY 83 0.124 -1.177 14.806 643 H CYS 84 H CYS 84 0.861 -3.506 12.989 644 HA CYS 84 HA CYS 84 -1.886 -4.412 12.536 645 1HB CYS 84 1HB CYS 84 0.510 -4.749 10.723 646 2HB CYS 84 2HB CYS 84 -1.188 -4.930 10.294 647 HG CYS 84 HG CYS 84 0.648 -2.116 10.651 648 H ASN 85 H ASN 85 -2.428 -6.590 12.496 649 HA ASN 85 HA ASN 85 -0.422 -8.429 13.582 650 1HB ASN 85 1HB ASN 85 -2.691 -8.243 14.664 651 2HB ASN 85 2HB ASN 85 -3.387 -8.906 13.191 652 1HD2 ASN 85 2HD2 ASN 85 -3.457 -9.962 15.880 653 2HD2 ASN 85 1HD2 ASN 85 -2.744 -11.534 15.812
Contact the webmaster for help, if required. Monday, June 3, 2024 4:53:55 PM GMT (wattos1)