NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
577574 | 2moi | 19943 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 H ALA 1 -2.378 -22.054 -2.012 2 HA ALA 1 HA ALA 1 -2.878 -20.605 -3.985 3 HB1 ALA 1 1HB ALA 1 -4.968 -19.760 -3.943 4 HB2 ALA 1 2HB ALA 1 -5.156 -20.125 -2.210 5 HB3 ALA 1 3HB ALA 1 -4.374 -18.610 -2.720 6 H LEU 2 H LEU 2 -2.021 -20.680 -0.646 7 HA LEU 2 HA LEU 2 -0.815 -18.101 -0.538 8 HB3 LEU 2 2HB LEU 2 0.311 -19.257 1.507 9 HG LEU 2 HG LEU 2 -1.940 -19.298 2.781 10 HD11 LEU 2 1HD1 LEU 2 -0.129 -17.364 2.346 11 HD12 LEU 2 2HD1 LEU 2 -1.555 -16.597 1.607 12 HD13 LEU 2 3HD1 LEU 2 -1.607 -17.122 3.307 13 HD21 LEU 2 3HD2 LEU 2 -3.449 -19.626 0.939 14 HD22 LEU 2 1HD2 LEU 2 -3.753 -18.023 1.649 15 HD23 LEU 2 2HD2 LEU 2 -2.847 -18.163 0.123 16 H THR 3 H THR 3 0.936 -17.517 -1.694 17 HA THR 3 HA THR 3 3.269 -19.167 -1.660 18 HB THR 3 HB THR 3 1.586 -18.876 -4.192 19 HG1 THR 3 1HG THR 3 1.583 -21.121 -3.899 20 HG21 THR 3 3HG2 THR 3 3.510 -20.036 -5.333 21 HG22 THR 3 1HG2 THR 3 3.935 -18.384 -4.825 22 HG23 THR 3 2HG2 THR 3 4.496 -19.779 -3.873 23 H THR 4 H THR 4 5.064 -18.090 -3.022 24 HA THR 4 HA THR 4 4.710 -15.184 -2.703 25 HB THR 4 HB THR 4 6.407 -15.833 -1.191 26 HG1 THR 4 1HG THR 4 8.360 -15.188 -2.383 27 HG21 THR 4 3HG2 THR 4 8.268 -17.440 -1.944 28 HG22 THR 4 1HG2 THR 4 6.679 -18.201 -1.694 29 HG23 THR 4 2HG2 THR 4 7.242 -17.840 -3.343 30 H ILE 5 H ILE 5 5.889 -13.784 -4.230 31 HA ILE 5 HA ILE 5 6.600 -15.027 -6.737 32 HB ILE 5 HB ILE 5 4.470 -14.879 -7.443 33 HG13 ILE 5 2HG1 ILE 5 5.912 -13.224 -8.722 34 HG21 ILE 5 1HG2 ILE 5 3.093 -14.314 -5.757 35 HG22 ILE 5 2HG2 ILE 5 4.154 -13.008 -5.178 36 HG23 ILE 5 3HG2 ILE 5 3.072 -12.727 -6.564 37 HD11 ILE 5 3HD1 ILE 5 2.885 -12.991 -8.545 38 HD12 ILE 5 1HD1 ILE 5 3.828 -12.080 -9.750 39 HD13 ILE 5 2HD1 ILE 5 3.857 -13.860 -9.758 40 H SER 6 H SER 6 8.054 -13.766 -7.928 41 HA SER 6 HA SER 6 9.482 -11.913 -6.458 42 HB3 SER 6 2HB SER 6 10.743 -11.532 -8.534 43 HG SER 6 HG SER 6 11.470 -13.574 -8.706 44 HA PRO 7 HA PRO 7 7.421 -8.178 -7.319 45 HB3 PRO 7 2HB PRO 7 8.669 -7.023 -5.767 46 HG3 PRO 7 2HG PRO 7 10.724 -7.959 -5.294 47 HD3 PRO 7 2HD PRO 7 10.316 -10.148 -5.867 48 H HIS 8 H HIS 8 9.427 -9.563 -9.507 49 HA HIS 8 HA HIS 8 9.335 -7.395 -11.386 50 HB3 HIS 8 2HB HIS 8 10.558 -10.105 -11.245 51 HD1 HIS 8 1HD HIS 8 10.779 -7.680 -14.172 52 HD2 HIS 8 2HD HIS 8 9.709 -11.658 -13.382 53 HE1 HIS 8 1HE HIS 8 10.449 -8.797 -16.443 54 H ASP 9 H ASP 9 7.888 -10.706 -11.056 55 HA ASP 9 HA ASP 9 6.243 -10.265 -13.319 56 HB3 ASP 9 2HB ASP 9 5.154 -12.387 -11.797 57 HD2 ASP 9 HD ASP 9 5.859 -14.453 -12.645 58 H ALA 10 H ALA 10 6.168 -9.564 -9.895 59 HA ALA 10 HA ALA 10 3.320 -9.581 -9.617 60 HB1 ALA 10 1HB ALA 10 5.726 -8.973 -7.960 61 HB2 ALA 10 2HB ALA 10 4.218 -8.144 -7.504 62 HB3 ALA 10 3HB ALA 10 4.273 -9.922 -7.564 63 H GLN 11 H GLN 11 5.905 -7.215 -10.377 64 HA GLN 11 HA GLN 11 4.461 -4.922 -10.020 65 HB3 GLN 11 2HB GLN 11 6.694 -5.642 -11.951 66 HG3 GLN 11 2HG GLN 11 5.534 -2.877 -11.362 67 HE21 GLN 11 1HE2 GLN 11 6.486 -1.248 -12.779 68 HE22 GLN 11 2HE2 GLN 11 8.179 -1.307 -13.139 69 H GLU 12 H GLU 12 3.965 -7.477 -12.294 70 HA GLU 12 HA GLU 12 2.676 -5.750 -14.202 71 HB3 GLU 12 2HB GLU 12 3.416 -8.670 -14.090 72 HG3 GLU 12 2HG GLU 12 1.065 -7.499 -15.498 73 HE2 GLU 12 HE GLU 12 1.701 -9.404 -18.530 74 H LEU 13 H LEU 13 1.682 -8.824 -12.518 75 HA LEU 13 HA LEU 13 -0.974 -8.678 -12.897 76 HB3 LEU 13 2HB LEU 13 -0.105 -10.581 -11.883 77 HG LEU 13 HG LEU 13 1.667 -9.045 -10.478 78 HD11 LEU 13 1HD1 LEU 13 -0.011 -8.348 -8.849 79 HD12 LEU 13 2HD1 LEU 13 -0.367 -10.051 -8.468 80 HD13 LEU 13 3HD1 LEU 13 1.233 -9.370 -8.089 81 HD21 LEU 13 3HD2 LEU 13 2.333 -11.193 -10.948 82 HD22 LEU 13 1HD2 LEU 13 2.062 -11.297 -9.191 83 HD23 LEU 13 2HD2 LEU 13 0.833 -11.918 -10.320 84 H ILE 14 H ILE 14 0.894 -6.993 -10.294 85 HA ILE 14 HA ILE 14 -1.214 -5.868 -8.958 86 HB ILE 14 HB ILE 14 1.625 -5.552 -9.133 87 HG13 ILE 14 2HG1 ILE 14 -0.187 -6.122 -7.219 88 HG21 ILE 14 1HG2 ILE 14 1.340 -3.402 -10.118 89 HG22 ILE 14 2HG2 ILE 14 0.046 -2.975 -8.973 90 HG23 ILE 14 3HG2 ILE 14 1.722 -3.152 -8.398 91 HD11 ILE 14 3HD1 ILE 14 2.044 -6.703 -6.770 92 HD12 ILE 14 1HD1 ILE 14 2.643 -5.060 -7.105 93 HD13 ILE 14 2HD1 ILE 14 1.769 -5.398 -5.591 94 H ALA 15 H ALA 15 0.378 -4.823 -12.010 95 HA ALA 15 HA ALA 15 -1.396 -2.534 -12.165 96 HB1 ALA 15 1HB ALA 15 0.307 -1.688 -13.360 97 HB2 ALA 15 2HB ALA 15 1.206 -3.203 -13.097 98 HB3 ALA 15 3HB ALA 15 0.180 -3.015 -14.540 99 H ARG 16 H ARG 16 -2.169 -5.572 -12.311 100 HA ARG 16 HA ARG 16 -3.539 -5.324 -14.868 101 HB3 ARG 16 2HB ARG 16 -3.676 -7.856 -14.815 102 HG3 ARG 16 2HG ARG 16 -0.982 -8.094 -14.842 103 HD3 ARG 16 2HD ARG 16 -2.251 -6.305 -16.942 104 HE ARG 16 HE ARG 16 -0.068 -8.291 -16.878 105 HH11 ARG 16 2HH2 ARG 16 -2.239 -6.364 -18.909 106 HH12 ARG 16 1HH2 ARG 16 -1.235 -6.487 -20.315 107 HH22 ARG 16 1HH ARG 16 0.816 -7.720 -20.188 108 H GLY 17 H GLY 17 -3.714 -6.168 -11.391 109 HA2 GLY 17 1HA GLY 17 -6.255 -5.271 -10.931 110 HA3 GLY 17 2HA GLY 17 -6.478 -6.933 -11.439 111 H ALA 18 H ALA 18 -3.759 -7.760 -10.365 112 HA ALA 18 HA ALA 18 -4.430 -8.869 -8.027 113 HB1 ALA 18 1HB ALA 18 -2.316 -9.584 -8.257 114 HB2 ALA 18 2HB ALA 18 -2.044 -8.344 -9.505 115 HB3 ALA 18 3HB ALA 18 -1.705 -7.976 -7.796 116 H LYS 19 H LYS 19 -5.301 -8.067 -6.187 117 HA LYS 19 HA LYS 19 -4.724 -5.296 -5.512 118 HB3 LYS 19 2HB LYS 19 -6.556 -6.580 -3.706 119 HG3 LYS 19 2HG LYS 19 -6.623 -4.192 -4.172 120 HD3 LYS 19 2HD LYS 19 -7.696 -4.121 -6.837 121 HE3 LYS 19 2HE LYS 19 -4.905 -3.240 -6.577 122 HZ1 LYS 19 2HZ LYS 19 -5.823 -1.357 -7.479 123 HZ3 LYS 19 1HZ LYS 19 -7.185 -1.413 -6.589 124 H LEU 20 H LEU 20 -3.102 -4.811 -4.145 125 HA LEU 20 HA LEU 20 -2.193 -6.950 -2.362 126 HB3 LEU 20 2HB LEU 20 -0.846 -4.585 -3.631 127 HG LEU 20 HG LEU 20 -0.100 -4.629 -1.258 128 HD11 LEU 20 1HD1 LEU 20 0.197 -7.516 -1.862 129 HD12 LEU 20 2HD1 LEU 20 1.500 -6.769 -0.907 130 HD13 LEU 20 3HD1 LEU 20 -0.183 -6.687 -0.333 131 HD21 LEU 20 3HD2 LEU 20 1.430 -4.543 -3.587 132 HD22 LEU 20 1HD2 LEU 20 1.898 -3.963 -1.970 133 HD23 LEU 20 2HD2 LEU 20 2.340 -5.609 -2.488 134 H ILE 21 H ILE 21 -2.163 -6.682 -0.140 135 HA ILE 21 HA ILE 21 -3.490 -4.238 0.789 136 HB ILE 21 HB ILE 21 -3.288 -6.918 2.164 137 HG13 ILE 21 2HG1 ILE 21 -5.736 -7.096 1.512 138 HG21 ILE 21 1HG2 ILE 21 -5.265 -5.936 3.443 139 HG22 ILE 21 2HG2 ILE 21 -3.651 -5.272 3.803 140 HG23 ILE 21 3HG2 ILE 21 -4.779 -4.362 2.767 141 HD11 ILE 21 3HD1 ILE 21 -5.732 -4.604 0.701 142 HD12 ILE 21 1HD1 ILE 21 -4.961 -5.252 -0.767 143 HD13 ILE 21 2HD1 ILE 21 -6.579 -5.816 -0.289 144 H ASP 22 H ASP 22 -2.755 -3.375 2.923 145 HA ASP 22 HA ASP 22 0.132 -3.704 3.078 146 HB3 ASP 22 2HB ASP 22 -0.398 -1.473 4.580 147 HD2 ASP 22 HD ASP 22 -0.872 0.345 1.917 148 H ILE 23 H ILE 23 -0.401 -5.731 4.418 149 HA ILE 23 HA ILE 23 -1.674 -5.294 6.955 150 HB ILE 23 HB ILE 23 -1.418 -7.616 7.286 151 HG13 ILE 23 2HG1 ILE 23 0.988 -7.295 5.755 152 HG21 ILE 23 1HG2 ILE 23 -2.967 -8.153 5.780 153 HG22 ILE 23 2HG2 ILE 23 -2.709 -6.539 5.074 154 HG23 ILE 23 3HG2 ILE 23 -1.834 -7.946 4.423 155 HD11 ILE 23 3HD1 ILE 23 1.001 -9.879 6.589 156 HD12 ILE 23 1HD1 ILE 23 1.323 -8.513 7.686 157 HD13 ILE 23 2HD1 ILE 23 -0.299 -9.246 7.626 158 H ARG 24 H ARG 24 0.113 -3.402 7.094 159 HA ARG 24 HA ARG 24 2.186 -4.582 8.749 160 HB3 ARG 24 2HB ARG 24 3.675 -3.915 7.130 161 HG3 ARG 24 2HG ARG 24 1.364 -2.215 6.154 162 HD3 ARG 24 2HD ARG 24 3.747 -2.109 4.440 163 HE ARG 24 HE ARG 24 1.610 -0.299 5.327 164 HH11 ARG 24 2HH2 ARG 24 4.667 -0.540 3.551 165 HH12 ARG 24 1HH2 ARG 24 4.385 0.897 2.625 166 HH22 ARG 24 1HH ARG 24 2.363 2.136 2.968 167 H ASP 25 H ASP 25 1.718 -1.135 7.815 168 HA ASP 25 HA ASP 25 0.351 -0.626 10.291 169 HB3 ASP 25 2HB ASP 25 2.400 1.383 10.075 170 HD2 ASP 25 HD ASP 25 1.216 0.898 13.230 171 H ALA 26 H ALA 26 0.352 2.139 10.321 172 HA ALA 26 HA ALA 26 -0.703 2.786 7.667 173 HB1 ALA 26 1HB ALA 26 -2.276 4.068 8.735 174 HB2 ALA 26 2HB ALA 26 -1.921 2.948 10.073 175 HB3 ALA 26 3HB ALA 26 -1.157 4.556 10.031 176 H ASP 27 H ASP 27 1.404 4.014 10.342 177 HA ASP 27 HA ASP 27 2.136 6.376 9.370 178 HB3 ASP 27 2HB ASP 27 4.527 5.694 10.287 179 HD2 ASP 27 HD ASP 27 3.738 7.575 11.317 180 H GLU 28 H GLU 28 3.280 3.108 8.348 181 HA GLU 28 HA GLU 28 5.391 3.781 6.800 182 HB3 GLU 28 2HB GLU 28 5.019 1.677 5.620 183 HG3 GLU 28 2HG GLU 28 4.935 0.199 7.468 184 HE2 GLU 28 HE GLU 28 7.390 0.975 8.279 185 H TYR 29 H TYR 29 1.979 3.336 5.596 186 HA TYR 29 HA TYR 29 2.243 4.068 3.036 187 HB3 TYR 29 2HB TYR 29 0.207 4.884 5.196 188 HD1 TYR 29 2HD TYR 29 -0.554 3.634 1.811 189 HD2 TYR 29 1HD TYR 29 -0.480 7.064 4.368 190 HE1 TYR 29 2HE TYR 29 -1.968 4.923 0.137 191 HE2 TYR 29 1HE TYR 29 -1.895 8.340 2.685 192 HH TYR 29 HH TYR 29 -2.173 7.660 -0.317 193 H LEU 30 H LEU 30 2.355 6.256 5.875 194 HA LEU 30 HA LEU 30 2.110 8.653 4.478 195 HB3 LEU 30 2HB LEU 30 3.739 8.243 6.977 196 HG LEU 30 HG LEU 30 2.069 10.515 5.906 197 HD11 LEU 30 1HD1 LEU 30 2.973 11.066 8.569 198 HD12 LEU 30 2HD1 LEU 30 1.319 11.088 7.912 199 HD13 LEU 30 3HD1 LEU 30 1.992 9.582 8.580 200 HD21 LEU 30 3HD2 LEU 30 4.876 9.994 6.213 201 HD22 LEU 30 1HD2 LEU 30 4.058 11.396 5.481 202 HD23 LEU 30 2HD2 LEU 30 4.414 11.385 7.225 203 H ARG 31 H ARG 31 5.207 7.483 5.953 204 HA ARG 31 HA ARG 31 6.788 9.060 4.418 205 HB3 ARG 31 2HB ARG 31 8.442 6.908 4.850 206 HG3 ARG 31 2HG ARG 31 7.857 8.152 7.423 207 HD3 ARG 31 2HD ARG 31 10.088 9.212 5.776 208 HE ARG 31 HE ARG 31 10.751 7.692 8.131 209 HH11 ARG 31 2HH2 ARG 31 9.112 10.679 7.157 210 HH12 ARG 31 1HH2 ARG 31 9.415 11.482 8.661 211 HH22 ARG 31 1HH ARG 31 10.617 10.330 10.386 212 H GLU 32 H GLU 32 6.595 5.446 3.988 213 HA GLU 32 HA GLU 32 7.011 5.928 1.147 214 HB3 GLU 32 2HB GLU 32 7.705 3.438 1.182 215 HG3 GLU 32 2HG GLU 32 9.140 5.817 2.194 216 HE2 GLU 32 HE GLU 32 10.707 2.845 1.793 217 H HIS 33 H HIS 33 6.101 3.757 -0.125 218 HA HIS 33 HA HIS 33 3.437 3.213 0.925 219 HB3 HIS 33 2HB HIS 33 3.985 4.123 -1.913 220 HD1 HIS 33 1HD HIS 33 2.073 3.718 -3.482 221 HD2 HIS 33 2HD HIS 33 0.970 3.200 0.531 222 HE1 HIS 33 1HE HIS 33 -0.330 2.859 -3.506 223 H ILE 34 H ILE 34 3.618 2.261 -2.293 224 HA ILE 34 HA ILE 34 5.341 0.150 -2.379 225 HB ILE 34 HB ILE 34 3.457 -0.360 -0.400 226 HG13 ILE 34 2HG1 ILE 34 5.394 -1.499 -0.102 227 HG21 ILE 34 1HG2 ILE 34 2.850 -2.317 -2.592 228 HG22 ILE 34 2HG2 ILE 34 1.935 -1.939 -1.112 229 HG23 ILE 34 3HG2 ILE 34 1.933 -0.795 -2.476 230 HD11 ILE 34 3HD1 ILE 34 4.938 -3.767 -0.106 231 HD12 ILE 34 1HD1 ILE 34 3.299 -3.168 -0.462 232 HD13 ILE 34 2HD1 ILE 34 4.342 -3.750 -1.783 233 HA PRO 35 HA PRO 35 3.454 -0.143 -6.253 234 HB3 PRO 35 2HB PRO 35 5.066 -1.563 -7.083 235 HG3 PRO 35 2HG PRO 35 6.127 -2.850 -5.490 236 HD3 PRO 35 2HD PRO 35 5.798 -1.546 -3.626 237 H GLU 36 H GLU 36 1.356 0.492 -5.442 238 HA GLU 36 HA GLU 36 -0.805 0.239 -5.531 239 HB3 GLU 36 2HB GLU 36 -1.386 -2.403 -6.360 240 HG3 GLU 36 2HG GLU 36 -2.235 -0.044 -7.139 241 HE2 GLU 36 HE GLU 36 0.154 -0.117 -10.270 242 H ALA 37 H ALA 37 -1.410 0.313 -3.387 243 HA ALA 37 HA ALA 37 -2.226 -2.084 -2.141 244 HB1 ALA 37 1HB ALA 37 0.334 -0.764 -1.170 245 HB2 ALA 37 2HB ALA 37 -0.650 -1.848 -0.156 246 HB3 ALA 37 3HB ALA 37 0.093 -2.460 -1.653 247 H ASP 38 H ASP 38 -3.499 -1.635 -0.234 248 HA ASP 38 HA ASP 38 -3.942 1.227 0.110 249 HB3 ASP 38 2HB ASP 38 -6.273 -0.113 0.964 250 HD2 ASP 38 HD ASP 38 -6.510 0.739 -2.699 251 H LEU 39 H LEU 39 -4.204 1.930 2.321 252 HA LEU 39 HA LEU 39 -2.857 0.638 4.281 253 HB3 LEU 39 2HB LEU 39 -5.239 2.469 4.605 254 HG LEU 39 HG LEU 39 -4.696 1.669 6.788 255 HD11 LEU 39 1HD1 LEU 39 -2.401 1.715 7.700 256 HD12 LEU 39 2HD1 LEU 39 -2.579 0.586 6.336 257 HD13 LEU 39 3HD1 LEU 39 -1.789 2.161 6.090 258 HD21 LEU 39 3HD2 LEU 39 -3.197 4.279 6.476 259 HD22 LEU 39 1HD2 LEU 39 -4.971 4.142 6.444 260 HD23 LEU 39 2HD2 LEU 39 -4.069 3.677 7.906 261 H ALA 40 H ALA 40 -3.158 -1.090 5.607 262 HA ALA 40 HA ALA 40 -5.577 -1.933 6.618 263 HB1 ALA 40 1HB ALA 40 -6.589 -2.920 4.865 264 HB2 ALA 40 2HB ALA 40 -5.146 -2.727 3.841 265 HB3 ALA 40 3HB ALA 40 -5.296 -4.142 4.910 266 HA PRO 41 HA PRO 41 -1.722 -3.761 8.153 267 HB3 PRO 41 2HB PRO 41 -0.881 -1.966 9.326 268 HG3 PRO 41 2HG PRO 41 -2.328 -0.181 9.520 269 HD3 PRO 41 2HD PRO 41 -3.674 -0.545 7.693 270 H LEU 42 H LEU 42 -1.358 -5.569 9.488 271 HA LEU 42 HA LEU 42 -3.488 -7.227 9.743 272 HB3 LEU 42 2HB LEU 42 -1.161 -7.215 11.657 273 HG LEU 42 HG LEU 42 -2.736 -9.047 12.025 274 HD11 LEU 42 1HD1 LEU 42 -2.476 -10.671 9.753 275 HD12 LEU 42 2HD1 LEU 42 -3.937 -9.833 10.332 276 HD13 LEU 42 3HD1 LEU 42 -2.874 -9.048 9.139 277 HD21 LEU 42 3HD2 LEU 42 0.004 -9.533 10.974 278 HD22 LEU 42 1HD2 LEU 42 -0.689 -9.852 12.582 279 HD23 LEU 42 2HD2 LEU 42 -1.041 -10.951 11.227 280 H SER 43 H SER 43 -2.656 -4.447 11.717 281 HA SER 43 HA SER 43 -4.022 -5.231 14.017 282 HB3 SER 43 2HB SER 43 -4.091 -2.654 14.390 283 HG SER 43 HG SER 43 -2.311 -3.322 15.390 284 H VAL 44 H VAL 44 -5.012 -3.825 10.905 285 HA VAL 44 HA VAL 44 -7.653 -3.189 11.914 286 HB VAL 44 HB VAL 44 -6.265 -1.810 10.267 287 HG11 VAL 44 1HG1 VAL 44 -6.934 -4.201 8.591 288 HG12 VAL 44 2HG1 VAL 44 -6.946 -2.594 7.826 289 HG13 VAL 44 3HG1 VAL 44 -5.467 -3.193 8.615 290 HG21 VAL 44 3HG2 VAL 44 -8.598 -1.317 10.741 291 HG22 VAL 44 1HG2 VAL 44 -8.286 -1.124 8.999 292 HG23 VAL 44 2HG2 VAL 44 -9.128 -2.574 9.597 293 H LEU 45 H LEU 45 -5.929 -5.636 9.957 294 HA LEU 45 HA LEU 45 -8.107 -6.876 8.803 295 HB3 LEU 45 2HB LEU 45 -6.535 -8.943 9.018 296 HG LEU 45 HG LEU 45 -4.773 -7.720 7.467 297 HD11 LEU 45 1HD1 LEU 45 -6.531 -7.909 5.576 298 HD12 LEU 45 2HD1 LEU 45 -6.091 -9.367 6.498 299 HD13 LEU 45 3HD1 LEU 45 -7.611 -8.512 6.856 300 HD21 LEU 45 3HD2 LEU 45 -7.109 -5.790 7.393 301 HD22 LEU 45 1HD2 LEU 45 -5.493 -5.448 8.055 302 HD23 LEU 45 2HD2 LEU 45 -5.691 -5.780 6.317 303 H GLU 46 H GLU 46 -6.514 -7.560 11.993 304 HA GLU 46 HA GLU 46 -8.360 -9.533 12.673 305 HB3 GLU 46 2HB GLU 46 -7.402 -8.571 15.097 306 HG3 GLU 46 2HG GLU 46 -5.327 -10.166 13.971 307 HE2 GLU 46 HE GLU 46 -5.281 -11.425 16.397 308 H GLN 47 H GLN 47 -8.490 -6.037 12.686 309 HA GLN 47 HA GLN 47 -10.583 -5.969 14.645 310 HB3 GLN 47 2HB GLN 47 -10.170 -3.522 13.056 311 HG3 GLN 47 2HG GLN 47 -9.342 -3.788 15.926 312 HE21 GLN 47 1HE2 GLN 47 -12.137 -2.485 14.167 313 HE22 GLN 47 2HE2 GLN 47 -11.800 -0.806 14.421 314 H SER 48 H SER 48 -10.204 -6.308 11.186 315 HA SER 48 HA SER 48 -13.089 -6.223 10.962 316 HB3 SER 48 2HB SER 48 -12.546 -4.056 10.116 317 HG SER 48 HG SER 48 -10.911 -4.018 8.243 318 H GLY 49 H GLY 49 -10.314 -6.492 8.624 319 HA2 GLY 49 1HA GLY 49 -9.579 -8.828 8.151 320 HA3 GLY 49 2HA GLY 49 -11.279 -9.211 7.966 321 H LEU 50 H LEU 50 -9.819 -9.823 5.804 322 HA LEU 50 HA LEU 50 -9.054 -8.042 3.966 323 HB3 LEU 50 2HB LEU 50 -10.817 -10.391 3.288 324 HG LEU 50 HG LEU 50 -9.276 -10.756 1.440 325 HD11 LEU 50 1HD1 LEU 50 -9.938 -7.905 0.983 326 HD12 LEU 50 2HD1 LEU 50 -10.346 -9.354 0.033 327 HD13 LEU 50 3HD1 LEU 50 -11.283 -8.953 1.492 328 HD21 LEU 50 3HD2 LEU 50 -7.635 -8.861 2.871 329 HD22 LEU 50 1HD2 LEU 50 -7.210 -9.954 1.532 330 HD23 LEU 50 2HD2 LEU 50 -7.871 -8.338 1.186 331 HA PRO 51 HA PRO 51 -12.597 -5.578 3.351 332 HB3 PRO 51 2HB PRO 51 -11.367 -3.633 3.437 333 HG3 PRO 51 2HG PRO 51 -9.092 -3.921 3.187 334 HD3 PRO 51 2HD PRO 51 -8.880 -6.106 3.869 335 H ALA 52 H ALA 52 -13.930 -4.639 1.503 336 HA ALA 52 HA ALA 52 -14.128 -6.805 -0.401 337 HB1 ALA 52 1HB ALA 52 -16.304 -6.137 -0.613 338 HB2 ALA 52 2HB ALA 52 -15.972 -5.327 0.937 339 HB3 ALA 52 3HB ALA 52 -15.887 -4.407 -0.584 340 H LYS 53 H LYS 53 -13.571 -3.224 -0.374 341 HA LYS 53 HA LYS 53 -13.388 -2.817 -3.069 342 HB3 LYS 53 2HB LYS 53 -13.412 -0.957 -1.607 343 HG3 LYS 53 2HG LYS 53 -10.665 -1.341 -0.520 344 HD3 LYS 53 2HD LYS 53 -12.014 -0.654 1.600 345 HE3 LYS 53 2HE LYS 53 -12.219 1.330 -0.698 346 HZ1 LYS 53 2HZ LYS 53 -12.557 2.670 1.057 347 HZ3 LYS 53 1HZ LYS 53 -11.058 2.348 1.606 348 H LEU 54 H LEU 54 -11.070 -4.361 -0.846 349 HA LEU 54 HA LEU 54 -9.310 -4.781 -3.161 350 HB3 LEU 54 2HB LEU 54 -7.451 -4.775 -1.745 351 HG LEU 54 HG LEU 54 -9.288 -2.532 -1.402 352 HD11 LEU 54 1HD1 LEU 54 -9.186 -2.539 0.874 353 HD12 LEU 54 2HD1 LEU 54 -7.622 -3.388 0.920 354 HD13 LEU 54 3HD1 LEU 54 -7.682 -1.654 0.524 355 HD21 LEU 54 3HD2 LEU 54 -7.373 -2.587 -2.955 356 HD22 LEU 54 1HD2 LEU 54 -7.285 -1.229 -1.810 357 HD23 LEU 54 2HD2 LEU 54 -6.265 -2.666 -1.565 358 H ARG 55 H ARG 55 -11.483 -6.390 -3.125 359 HA ARG 55 HA ARG 55 -10.467 -8.813 -1.868 360 HB3 ARG 55 2HB ARG 55 -12.721 -8.013 -1.045 361 HG3 ARG 55 2HG ARG 55 -13.202 -7.507 -3.761 362 HD3 ARG 55 2HD ARG 55 -14.674 -10.010 -2.829 363 HE ARG 55 HE ARG 55 -15.866 -7.866 -4.232 364 HH11 ARG 55 2HH2 ARG 55 -15.304 -11.324 -4.762 365 HH12 ARG 55 1HH2 ARG 55 -16.697 -11.523 -5.771 366 HH22 ARG 55 1HH ARG 55 -18.094 -9.630 -6.229 367 H HIS 56 H HIS 56 -10.188 -7.314 -4.675 368 HA HIS 56 HA HIS 56 -11.357 -8.490 -6.722 369 HB3 HIS 56 2HB HIS 56 -8.393 -7.969 -6.387 370 HD1 HIS 56 1HD HIS 56 -7.034 -8.969 -8.217 371 HD2 HIS 56 2HD HIS 56 -10.932 -8.066 -9.477 372 HE1 HIS 56 1HE HIS 56 -7.151 -9.598 -10.687 373 H GLU 57 H GLU 57 -11.093 -10.394 -8.053 374 HA GLU 57 HA GLU 57 -11.195 -12.723 -6.802 375 HB3 GLU 57 2HB GLU 57 -9.807 -12.452 -9.497 376 HG3 GLU 57 2HG GLU 57 -11.039 -14.627 -7.965 377 HE2 GLU 57 HE GLU 57 -11.366 -15.829 -10.888 378 H GLN 58 H GLN 58 -8.215 -10.967 -7.731 379 HA GLN 58 HA GLN 58 -6.749 -12.968 -6.201 380 HB3 GLN 58 2HB GLN 58 -4.783 -12.421 -7.782 381 HG3 GLN 58 2HG GLN 58 -7.169 -14.108 -8.255 382 HE21 GLN 58 1HE2 GLN 58 -4.993 -15.287 -10.258 383 HE22 GLN 58 2HE2 GLN 58 -5.514 -14.681 -11.794 384 H ILE 59 H ILE 59 -5.231 -12.159 -4.717 385 HA ILE 59 HA ILE 59 -4.665 -9.309 -4.811 386 HB ILE 59 HB ILE 59 -5.988 -8.737 -3.156 387 HG13 ILE 59 2HG1 ILE 59 -4.256 -9.256 -1.588 388 HG21 ILE 59 1HG2 ILE 59 -7.698 -10.307 -2.289 389 HG22 ILE 59 2HG2 ILE 59 -7.578 -10.306 -4.065 390 HG23 ILE 59 3HG2 ILE 59 -6.863 -11.637 -3.125 391 HD11 ILE 59 3HD1 ILE 59 -6.771 -10.612 -0.528 392 HD12 ILE 59 1HD1 ILE 59 -5.539 -9.721 0.400 393 HD13 ILE 59 2HD1 ILE 59 -6.626 -8.847 -0.707 394 H ILE 60 H ILE 60 -2.965 -8.781 -3.024 395 HA ILE 60 HA ILE 60 -1.294 -11.124 -2.511 396 HB ILE 60 HB ILE 60 -0.382 -8.583 -3.865 397 HG13 ILE 60 2HG1 ILE 60 -1.346 -9.931 -5.522 398 HG21 ILE 60 1HG2 ILE 60 1.283 -9.234 -2.249 399 HG22 ILE 60 2HG2 ILE 60 1.223 -10.924 -2.805 400 HG23 ILE 60 3HG2 ILE 60 1.856 -9.655 -3.881 401 HD11 ILE 60 3HD1 ILE 60 1.549 -10.886 -5.386 402 HD12 ILE 60 1HD1 ILE 60 0.531 -10.757 -6.841 403 HD13 ILE 60 2HD1 ILE 60 1.057 -9.285 -5.989 404 H PHE 61 H PHE 61 0.502 -10.535 -0.896 405 HA PHE 61 HA PHE 61 -0.452 -8.409 0.883 406 HB3 PHE 61 2HB PHE 61 0.516 -10.239 2.635 407 HD1 PHE 61 2HD PHE 61 -1.756 -8.401 2.484 408 HD2 PHE 61 1HD PHE 61 -1.636 -12.611 1.958 409 HE1 PHE 61 2HE PHE 61 -4.160 -8.559 3.190 410 HE2 PHE 61 1HE PHE 61 -4.039 -12.768 2.665 411 HZ PHE 61 HZ PHE 61 -5.273 -10.739 3.272 412 H HIS 62 H HIS 62 1.224 -7.558 2.360 413 HA HIS 62 HA HIS 62 3.930 -8.343 1.841 414 HB3 HIS 62 2HB HIS 62 3.270 -6.775 -0.056 415 HD1 HIS 62 1HD HIS 62 4.737 -4.239 2.298 416 HD2 HIS 62 2HD HIS 62 1.124 -4.944 0.287 417 HE1 HIS 62 1HE HIS 62 3.381 -2.085 2.487 418 H CYS 63 H CYS 63 5.165 -5.992 2.913 419 HA CYS 63 HA CYS 63 3.823 -5.174 5.257 420 HB3 CYS 63 2HB CYS 63 4.483 -7.597 5.798 421 HG CYS 63 HG CYS 63 6.709 -8.469 6.044 422 H GLN 64 H GLN 64 5.594 -3.977 6.724 423 HA GLN 64 HA GLN 64 6.759 -2.071 5.192 424 HB3 GLN 64 2HB GLN 64 6.419 -1.628 7.511 425 HG3 GLN 64 2HG GLN 64 7.056 -4.285 7.932 426 HE21 GLN 64 1HE2 GLN 64 8.301 -4.063 10.568 427 HE22 GLN 64 2HE2 GLN 64 10.016 -4.048 10.328 428 H ALA 65 H ALA 65 8.314 -5.006 6.655 429 HA ALA 65 HA ALA 65 9.908 -5.655 4.573 430 HB1 ALA 65 1HB ALA 65 12.126 -4.586 5.739 431 HB2 ALA 65 2HB ALA 65 11.258 -3.825 4.384 432 HB3 ALA 65 3HB ALA 65 10.945 -3.292 6.053 433 H GLY 66 H GLY 66 9.828 -7.756 5.249 434 HA2 GLY 66 1HA GLY 66 11.514 -8.661 7.297 435 HA3 GLY 66 2HA GLY 66 9.884 -8.570 7.936 436 H LYS 67 H LYS 67 8.528 -9.092 5.345 437 HA LYS 67 HA LYS 67 7.833 -10.776 4.093 438 HB3 LYS 67 2HB LYS 67 10.613 -11.893 4.556 439 HG3 LYS 67 2HG LYS 67 9.534 -12.805 2.108 440 HD3 LYS 67 2HD LYS 67 9.310 -14.740 4.317 441 HE3 LYS 67 2HE LYS 67 11.652 -15.007 2.601 442 HZ1 LYS 67 2HZ LYS 67 10.467 -17.020 1.996 443 HZ3 LYS 67 1HZ LYS 67 9.069 -16.476 2.629 444 H ARG 68 H ARG 68 7.198 -10.599 6.884 445 HA ARG 68 HA ARG 68 7.307 -13.346 7.755 446 HB3 ARG 68 2HB ARG 68 5.923 -12.062 9.738 447 HG3 ARG 68 2HG ARG 68 8.283 -13.232 9.699 448 HD3 ARG 68 2HD ARG 68 8.999 -10.777 8.528 449 HE ARG 68 HE ARG 68 9.612 -9.405 10.301 450 HH11 ARG 68 2HH2 ARG 68 9.855 -12.767 11.394 451 HH12 ARG 68 1HH2 ARG 68 10.393 -12.342 12.984 452 HH22 ARG 68 1HH ARG 68 10.661 -10.030 13.554 453 H THR 69 H THR 69 5.590 -12.153 5.453 454 HA THR 69 HA THR 69 2.894 -12.254 6.387 455 HB THR 69 HB THR 69 2.414 -12.023 3.961 456 HG1 THR 69 1HG THR 69 5.282 -12.173 3.563 457 HG21 THR 69 3HG2 THR 69 3.753 -10.039 3.416 458 HG22 THR 69 1HG2 THR 69 3.373 -9.981 5.155 459 HG23 THR 69 2HG2 THR 69 4.989 -10.497 4.613 460 H SER 70 H SER 70 5.180 -14.587 4.911 461 HA SER 70 HA SER 70 3.165 -16.530 4.561 462 HB3 SER 70 2HB SER 70 5.841 -17.660 4.771 463 HG SER 70 HG SER 70 5.345 -18.393 2.762 464 H ASN 71 H ASN 71 5.120 -15.403 7.232 465 HA ASN 71 HA ASN 71 5.142 -17.825 8.664 466 HB3 ASN 71 2HB ASN 71 5.345 -15.741 10.550 467 HD21 ASN 71 1HD2 ASN 71 6.900 -16.479 11.757 468 HD22 ASN 71 2HD2 ASN 71 8.332 -17.311 11.247 469 H ASN 72 H ASN 72 2.809 -15.304 8.013 470 HA ASN 72 HA ASN 72 1.130 -16.373 10.144 471 HB3 ASN 72 2HB ASN 72 0.067 -14.117 10.310 472 HD21 ASN 72 1HD2 ASN 72 3.493 -13.804 9.424 473 HD22 ASN 72 2HD2 ASN 72 4.108 -13.489 11.012 474 H ALA 73 H ALA 73 1.604 -16.932 7.120 475 HA ALA 73 HA ALA 73 -0.589 -15.899 5.693 476 HB1 ALA 73 1HB ALA 73 0.038 -18.123 4.319 477 HB2 ALA 73 2HB ALA 73 1.061 -16.666 4.285 478 HB3 ALA 73 3HB ALA 73 1.486 -18.029 5.349 479 H ASP 74 H ASP 74 -0.406 -18.114 8.289 480 HA ASP 74 HA ASP 74 -2.296 -19.979 7.509 481 HB3 ASP 74 2HB ASP 74 -2.291 -19.159 10.376 482 HD2 ASP 74 HD ASP 74 -0.369 -21.634 9.055 483 H LYS 75 H LYS 75 -2.557 -17.009 9.617 484 HA LYS 75 HA LYS 75 -5.400 -17.144 9.681 485 HB3 LYS 75 2HB LYS 75 -4.442 -14.560 10.427 486 HG3 LYS 75 2HG LYS 75 -5.129 -15.329 12.672 487 HD3 LYS 75 2HD LYS 75 -6.793 -15.841 10.254 488 HE3 LYS 75 2HE LYS 75 -7.115 -17.435 12.733 489 HZ1 LYS 75 2HZ LYS 75 -8.805 -15.588 12.969 490 HZ3 LYS 75 1HZ LYS 75 -9.449 -17.083 12.915 491 H LEU 76 H LEU 76 -3.007 -14.904 8.111 492 HA LEU 76 HA LEU 76 -4.724 -13.282 6.797 493 HB3 LEU 76 2HB LEU 76 -2.915 -13.142 5.045 494 HG LEU 76 HG LEU 76 -2.185 -12.885 7.965 495 HD11 LEU 76 1HD1 LEU 76 -0.477 -11.935 5.653 496 HD12 LEU 76 2HD1 LEU 76 -0.119 -11.833 7.394 497 HD13 LEU 76 3HD1 LEU 76 -0.160 -13.418 6.586 498 HD21 LEU 76 3HD2 LEU 76 -3.647 -11.179 7.543 499 HD22 LEU 76 1HD2 LEU 76 -2.117 -10.396 7.078 500 HD23 LEU 76 2HD2 LEU 76 -3.196 -11.058 5.825 501 H ALA 77 H ALA 77 -3.955 -16.689 6.096 502 HA ALA 77 HA ALA 77 -5.092 -16.730 3.518 503 HB1 ALA 77 1HB ALA 77 -3.614 -18.485 4.046 504 HB2 ALA 77 2HB ALA 77 -4.389 -18.790 5.620 505 HB3 ALA 77 3HB ALA 77 -5.214 -19.261 4.115 506 H ALA 78 H ALA 78 -6.361 -17.736 6.774 507 HA ALA 78 HA ALA 78 -8.936 -18.315 5.804 508 HB1 ALA 78 1HB ALA 78 -7.975 -19.212 7.901 509 HB2 ALA 78 2HB ALA 78 -7.983 -17.576 8.602 510 HB3 ALA 78 3HB ALA 78 -9.519 -18.378 8.196 511 H ILE 79 H ILE 79 -7.264 -15.374 6.024 512 HA ILE 79 HA ILE 79 -9.692 -13.852 6.583 513 HB ILE 79 HB ILE 79 -6.775 -13.347 6.743 514 HG13 ILE 79 2HG1 ILE 79 -8.281 -13.848 8.699 515 HG21 ILE 79 1HG2 ILE 79 -8.705 -11.403 5.609 516 HG22 ILE 79 2HG2 ILE 79 -7.628 -10.795 6.889 517 HG23 ILE 79 3HG2 ILE 79 -6.939 -11.526 5.419 518 HD11 ILE 79 3HD1 ILE 79 -7.432 -11.148 9.403 519 HD12 ILE 79 1HD1 ILE 79 -6.767 -12.709 9.939 520 HD13 ILE 79 2HD1 ILE 79 -6.185 -11.964 8.431 521 H ALA 80 H ALA 80 -7.087 -14.266 4.102 522 HA ALA 80 HA ALA 80 -8.741 -12.763 2.226 523 HB1 ALA 80 1HB ALA 80 -6.680 -12.875 0.813 524 HB2 ALA 80 2HB ALA 80 -6.395 -12.120 2.399 525 HB3 ALA 80 3HB ALA 80 -5.880 -13.798 2.108 526 H ALA 81 H ALA 81 -6.824 -15.859 2.299 527 HA ALA 81 HA ALA 81 -7.711 -17.021 0.053 528 HB1 ALA 81 1HB ALA 81 -6.359 -17.799 2.355 529 HB2 ALA 81 2HB ALA 81 -7.772 -18.882 2.327 530 HB3 ALA 81 3HB ALA 81 -6.668 -18.822 0.931 531 HA PRO 82 HA PRO 82 -8.220 -19.229 -0.162 532 HB3 PRO 82 2HB PRO 82 -9.492 -21.107 -0.557 533 HG3 PRO 82 2HG PRO 82 -11.757 -20.822 -0.239 534 HD3 PRO 82 2HD PRO 82 -11.743 -19.049 1.226 535 H ALA 83 H ALA 83 -9.832 -16.523 -0.930 536 HA ALA 83 HA ALA 83 -9.570 -16.094 -3.575 537 HB1 ALA 83 1HB ALA 83 -10.491 -14.359 -2.292 538 HB2 ALA 83 2HB ALA 83 -9.125 -14.345 -1.151 539 HB3 ALA 83 3HB ALA 83 -8.922 -13.683 -2.790 540 H GLU 84 H GLU 84 -7.954 -16.314 -5.033 541 HA GLU 84 HA GLU 84 -5.526 -17.213 -4.575 542 HB3 GLU 84 2HB GLU 84 -4.831 -15.839 -6.692 543 HG3 GLU 84 2HG GLU 84 -6.157 -17.282 -8.129 544 HE2 GLU 84 HE GLU 84 -7.102 -19.682 -6.383 545 H ILE 85 H ILE 85 -4.255 -16.541 -2.856 546 HA ILE 85 HA ILE 85 -3.584 -13.682 -2.804 547 HB ILE 85 HB ILE 85 -4.383 -15.559 -0.753 548 HG13 ILE 85 2HG1 ILE 85 -3.902 -12.566 -0.723 549 HG21 ILE 85 1HG2 ILE 85 -1.790 -14.062 -0.284 550 HG22 ILE 85 2HG2 ILE 85 -2.752 -14.899 0.958 551 HG23 ILE 85 3HG2 ILE 85 -1.997 -15.829 -0.358 552 HD11 ILE 85 3HD1 ILE 85 -6.589 -13.940 -0.884 553 HD12 ILE 85 1HD1 ILE 85 -6.134 -12.293 -1.386 554 HD13 ILE 85 2HD1 ILE 85 -5.645 -13.692 -2.373 555 H PHE 86 H PHE 86 -1.303 -13.201 -2.084 556 HA PHE 86 HA PHE 86 0.591 -15.328 -2.431 557 HB3 PHE 86 2HB PHE 86 1.672 -14.170 -4.389 558 HD1 PHE 86 2HD PHE 86 0.824 -16.580 -4.831 559 HD2 PHE 86 1HD PHE 86 -1.473 -13.100 -5.621 560 HE1 PHE 86 2HE PHE 86 -0.606 -17.886 -6.428 561 HE2 PHE 86 1HE PHE 86 -2.902 -14.407 -7.219 562 HZ PHE 86 HZ PHE 86 -2.451 -16.784 -7.603 563 H LEU 87 H LEU 87 2.942 -14.038 -2.679 564 HA LEU 87 HA LEU 87 2.841 -11.776 -0.829 565 HB3 LEU 87 2HB LEU 87 4.620 -12.691 0.509 566 HG LEU 87 HG LEU 87 2.409 -14.737 0.184 567 HD11 LEU 87 1HD1 LEU 87 4.025 -15.967 1.282 568 HD12 LEU 87 2HD1 LEU 87 4.691 -14.548 2.125 569 HD13 LEU 87 3HD1 LEU 87 3.133 -15.238 2.639 570 HD21 LEU 87 3HD2 LEU 87 1.145 -13.126 1.065 571 HD22 LEU 87 1HD2 LEU 87 2.039 -13.406 2.578 572 HD23 LEU 87 2HD2 LEU 87 2.555 -12.116 1.464 573 H LEU 88 H LEU 88 4.135 -10.104 -1.451 574 HA LEU 88 HA LEU 88 5.438 -10.317 -3.962 575 HB3 LEU 88 2HB LEU 88 5.640 -8.072 -1.960 576 HG LEU 88 HG LEU 88 7.015 -7.936 -4.094 577 HD11 LEU 88 1HD1 LEU 88 5.544 -7.160 -6.088 578 HD12 LEU 88 2HD1 LEU 88 5.750 -8.901 -5.776 579 HD13 LEU 88 3HD1 LEU 88 4.254 -8.076 -5.273 580 HD21 LEU 88 3HD2 LEU 88 5.440 -6.005 -2.748 581 HD22 LEU 88 1HD2 LEU 88 6.933 -5.760 -3.686 582 HD23 LEU 88 2HD2 LEU 88 5.348 -5.639 -4.488 583 H GLU 89 H GLU 89 6.676 -12.326 -2.944 584 HA GLU 89 HA GLU 89 8.538 -13.208 -2.240 585 HB3 GLU 89 2HB GLU 89 10.554 -11.301 -2.744 586 HG3 GLU 89 2HG GLU 89 9.303 -13.104 -4.854 587 HE2 GLU 89 HE GLU 89 11.257 -14.267 -5.712 588 H ASP 90 H ASP 90 9.851 -9.927 -1.605 589 HA ASP 90 HA ASP 90 9.884 -10.667 1.211 590 HB3 ASP 90 2HB ASP 90 11.776 -9.041 1.397 591 HD2 ASP 90 HD ASP 90 12.464 -12.187 1.042 592 H GLY 91 H GLY 91 9.355 -8.930 2.781 593 HA2 GLY 91 1HA GLY 91 7.193 -7.312 2.058 594 HA3 GLY 91 2HA GLY 91 8.131 -7.204 3.535 595 H ILE 92 H ILE 92 7.444 -5.768 0.444 596 HA ILE 92 HA ILE 92 8.026 -3.831 -0.446 597 HB ILE 92 HB ILE 92 8.323 -3.417 2.290 598 HG13 ILE 92 2HG1 ILE 92 8.168 -0.970 1.571 599 HG21 ILE 92 1HG2 ILE 92 10.212 -1.765 2.359 600 HG22 ILE 92 2HG2 ILE 92 10.706 -3.470 2.223 601 HG23 ILE 92 3HG2 ILE 92 10.753 -2.412 0.792 602 HD11 ILE 92 3HD1 ILE 92 9.211 -1.839 -0.807 603 HD12 ILE 92 1HD1 ILE 92 7.469 -1.930 -1.165 604 HD13 ILE 92 2HD1 ILE 92 8.193 -0.388 -0.649 605 H ASP 93 H ASP 93 10.845 -5.206 1.386 606 HA ASP 93 HA ASP 93 12.884 -4.323 -0.002 607 HB3 ASP 93 2HB ASP 93 12.317 -7.189 0.862 608 HD2 ASP 93 HD ASP 93 15.563 -6.097 1.416 609 H GLY 94 H GLY 94 10.361 -6.561 -1.139 610 HA2 GLY 94 1HA GLY 94 11.675 -7.621 -3.399 611 HA3 GLY 94 2HA GLY 94 9.947 -7.541 -3.121 612 H TRP 95 H TRP 95 9.115 -5.036 -3.186 613 HA TRP 95 HA TRP 95 9.158 -4.265 -5.798 614 HB3 TRP 95 2HB TRP 95 8.715 -2.609 -3.310 615 HD1 TRP 95 HD TRP 95 8.742 -0.067 -3.885 616 HE1 TRP 95 1HE TRP 95 8.101 1.522 -5.892 617 HE3 TRP 95 3HE TRP 95 7.394 -3.784 -7.082 618 HZ2 TRP 95 2HZ TRP 95 7.121 1.055 -8.532 619 HZ3 TRP 95 3HZ TRP 95 6.606 -3.132 -9.355 620 HH2 TRP 95 HH TRP 95 6.459 -0.807 -10.097 621 H LYS 96 H LYS 96 11.322 -3.290 -3.076 622 HA LYS 96 HA LYS 96 12.779 -1.443 -4.680 623 HB3 LYS 96 2HB LYS 96 13.389 -2.689 -1.983 624 HG3 LYS 96 2HG LYS 96 14.755 -0.604 -3.685 625 HD3 LYS 96 2HD LYS 96 13.789 0.065 -1.127 626 HE3 LYS 96 2HE LYS 96 16.436 -1.288 -0.962 627 HZ1 LYS 96 2HZ LYS 96 16.108 1.145 0.660 628 HZ3 LYS 96 1HZ LYS 96 16.782 1.279 -0.816 629 H LYS 97 H LYS 97 12.942 -4.914 -3.940 630 HA LYS 97 HA LYS 97 15.503 -5.548 -4.467 631 HB3 LYS 97 2HB LYS 97 13.188 -7.095 -5.644 632 HG3 LYS 97 2HG LYS 97 15.976 -7.702 -4.627 633 HD3 LYS 97 2HD LYS 97 13.736 -9.756 -4.918 634 HE3 LYS 97 2HE LYS 97 16.672 -9.883 -4.665 635 HZ1 LYS 97 2HZ LYS 97 16.640 -10.594 -2.524 636 HZ3 LYS 97 1HZ LYS 97 16.036 -11.988 -3.111 637 H ALA 98 H ALA 98 12.954 -5.435 -7.062 638 HA ALA 98 HA ALA 98 14.794 -5.560 -9.152 639 HB1 ALA 98 1HB ALA 98 12.606 -4.263 -10.203 640 HB2 ALA 98 2HB ALA 98 12.731 -6.024 -9.977 641 HB3 ALA 98 3HB ALA 98 11.912 -5.026 -8.752 642 H GLY 99 H GLY 99 13.833 -2.953 -7.005 643 HA2 GLY 99 1HA GLY 99 15.094 -1.007 -6.783 644 HA3 GLY 99 2HA GLY 99 15.659 -1.162 -8.436 645 H LEU 100 H LEU 100 12.342 -1.170 -6.935 646 HA LEU 100 HA LEU 100 11.649 0.947 -8.851 647 HB3 LEU 100 2HB LEU 100 9.396 0.117 -8.802 648 HG LEU 100 HG LEU 100 11.561 -1.775 -9.502 649 HD11 LEU 100 1HD1 LEU 100 9.547 -2.945 -8.122 650 HD12 LEU 100 2HD1 LEU 100 8.880 -2.994 -9.771 651 HD13 LEU 100 3HD1 LEU 100 10.460 -3.738 -9.428 652 HD21 LEU 100 3HD2 LEU 100 10.857 -1.420 -11.618 653 HD22 LEU 100 1HD2 LEU 100 9.134 -1.436 -11.172 654 HD23 LEU 100 2HD2 LEU 100 10.113 0.022 -10.887 655 HA PRO 101 HA PRO 101 11.165 3.384 -5.286 656 HB3 PRO 101 2HB PRO 101 12.040 5.233 -6.343 657 HG3 PRO 101 2HG PRO 101 12.075 5.099 -8.645 658 HD3 PRO 101 2HD PRO 101 12.076 2.817 -8.921 659 H VAL 102 H VAL 102 9.651 3.631 -3.739 660 HA VAL 102 HA VAL 102 7.013 2.846 -4.536 661 HB VAL 102 HB VAL 102 6.609 3.300 -2.042 662 HG11 VAL 102 1HG1 VAL 102 8.775 1.257 -2.422 663 HG12 VAL 102 2HG1 VAL 102 7.233 1.135 -1.541 664 HG13 VAL 102 3HG1 VAL 102 7.248 1.083 -3.320 665 HG21 VAL 102 3HG2 VAL 102 8.917 4.683 -2.108 666 HG22 VAL 102 1HG2 VAL 102 8.307 3.881 -0.641 667 HG23 VAL 102 2HG2 VAL 102 9.551 3.088 -1.636 668 H ALA 103 H ALA 103 5.146 4.251 -3.367 669 HA ALA 103 HA ALA 103 5.263 6.775 -4.720 670 HB1 ALA 103 1HB ALA 103 2.940 6.879 -4.258 671 HB2 ALA 103 2HB ALA 103 3.272 5.149 -4.519 672 HB3 ALA 103 3HB ALA 103 3.082 5.780 -2.865 673 H VAL 104 H VAL 104 7.278 7.307 -3.274 674 HA VAL 104 HA VAL 104 6.521 8.169 -0.613 675 HB VAL 104 HB VAL 104 8.966 8.848 -0.576 676 HG11 VAL 104 1HG1 VAL 104 8.710 6.918 0.596 677 HG12 VAL 104 2HG1 VAL 104 7.839 6.099 -0.722 678 HG13 VAL 104 3HG1 VAL 104 9.613 6.236 -0.778 679 HG21 VAL 104 3HG2 VAL 104 10.413 8.356 -2.292 680 HG22 VAL 104 1HG2 VAL 104 9.389 7.047 -2.931 681 HG23 VAL 104 2HG2 VAL 104 8.950 8.747 -3.228 682 H ASN 105 H ASN 105 4.845 9.669 -1.639 683 HA ASN 105 HA ASN 105 5.988 12.252 -1.670 684 HB3 ASN 105 2HB ASN 105 4.465 11.424 -4.188 685 HD21 ASN 105 1HD2 ASN 105 6.688 12.968 -5.508 686 HD22 ASN 105 2HD2 ASN 105 6.281 14.640 -5.311 687 H LYS 106 H LYS 106 4.423 13.579 -0.700 688 HA LYS 106 HA LYS 106 1.871 12.447 -0.125 689 HB3 LYS 106 2HB LYS 106 2.543 15.317 0.412 690 HG3 LYS 106 2HG LYS 106 1.568 13.281 2.408 691 HD3 LYS 106 2HD LYS 106 1.663 16.190 2.090 692 HE3 LYS 106 2HE LYS 106 -1.024 14.841 2.400 693 HZ1 LYS 106 2HZ LYS 106 -0.240 16.323 4.434 694 HZ3 LYS 106 1HZ LYS 106 -1.768 16.413 3.880 695 H SER 107 H SER 107 -0.100 12.831 -1.071 696 HA SER 107 HA SER 107 -1.603 13.687 -2.406 697 HB3 SER 107 2HB SER 107 -0.043 15.799 -3.753 698 HG SER 107 HG SER 107 -2.118 16.374 -3.740 699 H GLN 108 H GLN 108 1.656 14.121 -3.983 700 HA GLN 108 HA GLN 108 2.517 13.293 -5.796 701 HB3 GLN 108 2HB GLN 108 0.326 11.238 -6.138 702 HG3 GLN 108 2HG GLN 108 2.582 9.854 -6.332 703 HE21 GLN 108 1HE2 GLN 108 3.720 10.020 -8.611 704 HE22 GLN 108 2HE2 GLN 108 2.648 10.301 -9.942 Start of MODEL 2 1 H1 ALA 1 H ALA 1 2.575 -22.402 2.263 2 HA ALA 1 HA ALA 1 -0.260 -21.709 1.981 3 HB1 ALA 1 1HB ALA 1 0.822 -20.635 4.427 4 HB2 ALA 1 2HB ALA 1 -0.560 -21.733 4.205 5 HB3 ALA 1 3HB ALA 1 1.079 -22.396 4.401 6 H LEU 2 H LEU 2 -0.579 -19.669 1.186 7 HA LEU 2 HA LEU 2 -0.042 -17.763 0.190 8 HB3 LEU 2 2HB LEU 2 1.631 -16.380 1.779 9 HG LEU 2 HG LEU 2 -0.979 -16.157 1.361 10 HD11 LEU 2 1HD1 LEU 2 -1.711 -17.990 2.726 11 HD12 LEU 2 2HD1 LEU 2 -0.825 -17.361 4.136 12 HD13 LEU 2 3HD1 LEU 2 -2.226 -16.470 3.496 13 HD21 LEU 2 3HD2 LEU 2 -0.646 -14.764 3.794 14 HD22 LEU 2 1HD2 LEU 2 0.958 -14.834 3.022 15 HD23 LEU 2 2HD2 LEU 2 -0.429 -14.154 2.135 16 H THR 3 H THR 3 0.988 -18.615 -1.670 17 HA THR 3 HA THR 3 3.697 -19.382 -1.693 18 HB THR 3 HB THR 3 1.694 -18.514 -3.836 19 HG1 THR 3 1HG THR 3 1.512 -20.537 -2.443 20 HG21 THR 3 3HG2 THR 3 3.911 -18.250 -4.845 21 HG22 THR 3 1HG2 THR 3 4.483 -19.752 -4.081 22 HG23 THR 3 2HG2 THR 3 3.262 -19.821 -5.374 23 H THR 4 H THR 4 5.541 -18.333 -2.643 24 HA THR 4 HA THR 4 5.392 -15.417 -2.265 25 HB THR 4 HB THR 4 7.835 -15.650 -1.755 26 HG1 THR 4 1HG THR 4 8.315 -17.517 -3.015 27 HG21 THR 4 3HG2 THR 4 6.003 -16.165 0.059 28 HG22 THR 4 1HG2 THR 4 6.416 -17.871 -0.230 29 HG23 THR 4 2HG2 THR 4 7.659 -16.744 0.364 30 H ILE 5 H ILE 5 5.672 -14.081 -3.945 31 HA ILE 5 HA ILE 5 6.689 -15.320 -6.408 32 HB ILE 5 HB ILE 5 4.594 -14.809 -7.045 33 HG13 ILE 5 2HG1 ILE 5 6.261 -13.337 -8.284 34 HG21 ILE 5 1HG2 ILE 5 3.206 -12.991 -6.114 35 HG22 ILE 5 2HG2 ILE 5 3.790 -14.121 -4.869 36 HG23 ILE 5 3HG2 ILE 5 4.558 -12.525 -5.054 37 HD11 ILE 5 3HD1 ILE 5 3.294 -13.026 -8.111 38 HD12 ILE 5 1HD1 ILE 5 4.166 -11.728 -8.962 39 HD13 ILE 5 2HD1 ILE 5 4.318 -13.413 -9.515 40 H SER 6 H SER 6 8.311 -14.259 -7.570 41 HA SER 6 HA SER 6 9.835 -12.454 -5.990 42 HB3 SER 6 2HB SER 6 11.570 -13.100 -7.323 43 HG SER 6 HG SER 6 11.082 -15.037 -8.651 44 HA PRO 7 HA PRO 7 8.764 -8.748 -8.019 45 HB3 PRO 7 2HB PRO 7 10.357 -7.498 -6.921 46 HG3 PRO 7 2HG PRO 7 12.214 -8.685 -6.242 47 HD3 PRO 7 2HD PRO 7 11.322 -10.800 -6.118 48 H HIS 8 H HIS 8 8.881 -7.241 -9.949 49 HA HIS 8 HA HIS 8 9.193 -6.938 -12.141 50 HB3 HIS 8 2HB HIS 8 10.155 -9.718 -12.677 51 HD1 HIS 8 1HD HIS 8 9.302 -8.672 -15.100 52 HD2 HIS 8 2HD HIS 8 12.708 -6.969 -13.340 53 HE1 HIS 8 1HE HIS 8 10.514 -7.413 -16.959 54 H ASP 9 H ASP 9 8.042 -10.191 -11.079 55 HA ASP 9 HA ASP 9 6.184 -10.295 -13.229 56 HB3 ASP 9 2HB ASP 9 5.360 -12.205 -11.391 57 HD2 ASP 9 HD ASP 9 5.149 -13.787 -13.358 58 H ALA 10 H ALA 10 6.289 -9.429 -9.754 59 HA ALA 10 HA ALA 10 3.459 -9.341 -9.424 60 HB1 ALA 10 1HB ALA 10 4.110 -8.202 -7.270 61 HB2 ALA 10 2HB ALA 10 4.896 -9.778 -7.527 62 HB3 ALA 10 3HB ALA 10 5.806 -8.273 -7.807 63 H GLN 11 H GLN 11 6.002 -7.156 -10.575 64 HA GLN 11 HA GLN 11 4.602 -4.784 -10.168 65 HB3 GLN 11 2HB GLN 11 6.817 -5.570 -12.101 66 HG3 GLN 11 2HG GLN 11 5.564 -2.839 -11.564 67 HE21 GLN 11 1HE2 GLN 11 6.630 -1.060 -12.460 68 HE22 GLN 11 2HE2 GLN 11 8.343 -1.031 -12.715 69 H GLU 12 H GLU 12 3.878 -7.432 -12.156 70 HA GLU 12 HA GLU 12 2.648 -5.757 -14.179 71 HB3 GLU 12 2HB GLU 12 2.300 -8.647 -14.528 72 HG3 GLU 12 2HG GLU 12 4.140 -7.079 -16.276 73 HE2 GLU 12 HE GLU 12 3.078 -7.459 -18.578 74 H LEU 13 H LEU 13 1.755 -8.772 -12.337 75 HA LEU 13 HA LEU 13 -0.906 -8.736 -12.699 76 HB3 LEU 13 2HB LEU 13 0.029 -10.543 -11.577 77 HG LEU 13 HG LEU 13 1.761 -8.861 -10.288 78 HD11 LEU 13 1HD1 LEU 13 0.162 -8.102 -8.659 79 HD12 LEU 13 2HD1 LEU 13 -0.279 -9.776 -8.244 80 HD13 LEU 13 3HD1 LEU 13 1.345 -9.161 -7.856 81 HD21 LEU 13 3HD2 LEU 13 1.069 -11.744 -10.110 82 HD22 LEU 13 1HD2 LEU 13 2.600 -10.946 -10.546 83 HD23 LEU 13 2HD2 LEU 13 2.125 -11.088 -8.836 84 H ILE 14 H ILE 14 0.914 -6.853 -10.197 85 HA ILE 14 HA ILE 14 -1.259 -5.699 -8.967 86 HB ILE 14 HB ILE 14 1.583 -5.383 -9.042 87 HG13 ILE 14 2HG1 ILE 14 -0.314 -5.860 -7.179 88 HG21 ILE 14 1HG2 ILE 14 -0.014 -2.825 -9.166 89 HG22 ILE 14 2HG2 ILE 14 1.569 -2.923 -8.357 90 HG23 ILE 14 3HG2 ILE 14 1.433 -3.288 -10.094 91 HD11 ILE 14 3HD1 ILE 14 1.943 -6.424 -6.700 92 HD12 ILE 14 1HD1 ILE 14 2.503 -4.752 -6.939 93 HD13 ILE 14 2HD1 ILE 14 1.555 -5.175 -5.493 94 H ALA 15 H ALA 15 0.367 -4.883 -12.052 95 HA ALA 15 HA ALA 15 -1.235 -2.504 -12.359 96 HB1 ALA 15 1HB ALA 15 1.168 -2.751 -13.117 97 HB2 ALA 15 2HB ALA 15 0.592 -3.890 -14.357 98 HB3 ALA 15 3HB ALA 15 0.044 -2.197 -14.381 99 H ARG 16 H ARG 16 -2.124 -5.602 -12.291 100 HA ARG 16 HA ARG 16 -3.708 -5.389 -14.721 101 HB3 ARG 16 2HB ARG 16 -4.007 -7.875 -14.509 102 HG3 ARG 16 2HG ARG 16 -1.392 -8.403 -14.596 103 HD3 ARG 16 2HD ARG 16 -2.796 -6.548 -16.582 104 HE ARG 16 HE ARG 16 -0.171 -7.877 -16.690 105 HH11 ARG 16 2HH2 ARG 16 -2.830 -6.487 -18.574 106 HH12 ARG 16 1HH2 ARG 16 -1.862 -6.237 -19.988 107 HH22 ARG 16 1HH ARG 16 0.451 -6.867 -19.955 108 H GLY 17 H GLY 17 -3.702 -5.818 -11.183 109 HA2 GLY 17 1HA GLY 17 -6.053 -4.707 -10.558 110 HA3 GLY 17 2HA GLY 17 -6.562 -6.310 -11.051 111 H ALA 18 H ALA 18 -3.789 -7.390 -10.140 112 HA ALA 18 HA ALA 18 -4.414 -8.581 -7.855 113 HB1 ALA 18 1HB ALA 18 -2.225 -9.189 -7.838 114 HB2 ALA 18 2HB ALA 18 -2.145 -8.281 -9.367 115 HB3 ALA 18 3HB ALA 18 -1.654 -7.503 -7.843 116 H LYS 19 H LYS 19 -5.407 -7.785 -6.066 117 HA LYS 19 HA LYS 19 -4.826 -5.085 -5.227 118 HB3 LYS 19 2HB LYS 19 -6.557 -5.884 -3.394 119 HG3 LYS 19 2HG LYS 19 -8.404 -5.372 -5.055 120 HD3 LYS 19 2HD LYS 19 -6.442 -3.676 -4.060 121 HE3 LYS 19 2HE LYS 19 -6.074 -3.882 -6.953 122 HZ1 LYS 19 2HZ LYS 19 -7.275 -2.029 -7.459 123 HZ3 LYS 19 1HZ LYS 19 -6.005 -1.213 -6.848 124 H LEU 20 H LEU 20 -3.233 -4.562 -3.836 125 HA LEU 20 HA LEU 20 -2.149 -6.742 -2.206 126 HB3 LEU 20 2HB LEU 20 -0.749 -4.138 -2.656 127 HG LEU 20 HG LEU 20 0.350 -6.958 -2.633 128 HD11 LEU 20 1HD1 LEU 20 1.454 -4.417 -3.349 129 HD12 LEU 20 2HD1 LEU 20 2.267 -5.011 -1.882 130 HD13 LEU 20 3HD1 LEU 20 2.226 -6.021 -3.346 131 HD21 LEU 20 3HD2 LEU 20 -0.322 -5.134 -0.393 132 HD22 LEU 20 1HD2 LEU 20 -0.219 -6.910 -0.446 133 HD23 LEU 20 2HD2 LEU 20 1.265 -5.936 -0.321 134 H ILE 21 H ILE 21 -2.087 -6.594 0.025 135 HA ILE 21 HA ILE 21 -3.395 -4.203 1.121 136 HB ILE 21 HB ILE 21 -3.385 -6.953 2.349 137 HG13 ILE 21 2HG1 ILE 21 -5.763 -7.082 1.471 138 HG21 ILE 21 1HG2 ILE 21 -5.006 -6.150 3.819 139 HG22 ILE 21 2HG2 ILE 21 -3.841 -4.810 3.699 140 HG23 ILE 21 3HG2 ILE 21 -5.375 -4.738 2.800 141 HD11 ILE 21 3HD1 ILE 21 -6.561 -5.565 -0.034 142 HD12 ILE 21 1HD1 ILE 21 -5.282 -4.495 0.591 143 HD13 ILE 21 2HD1 ILE 21 -4.998 -5.456 -0.881 144 H ASP 22 H ASP 22 -2.560 -3.325 3.098 145 HA ASP 22 HA ASP 22 0.235 -4.037 3.435 146 HB3 ASP 22 2HB ASP 22 -0.233 -1.725 4.932 147 HD2 ASP 22 HD ASP 22 2.527 -1.729 2.584 148 H ILE 23 H ILE 23 -0.391 -5.938 4.814 149 HA ILE 23 HA ILE 23 -1.834 -5.381 7.243 150 HB ILE 23 HB ILE 23 -1.687 -7.721 7.646 151 HG13 ILE 23 2HG1 ILE 23 0.764 -7.547 6.192 152 HG21 ILE 23 1HG2 ILE 23 -3.256 -8.161 6.134 153 HG22 ILE 23 2HG2 ILE 23 -2.870 -6.592 5.388 154 HG23 ILE 23 3HG2 ILE 23 -2.089 -8.077 4.792 155 HD11 ILE 23 3HD1 ILE 23 0.875 -9.995 7.007 156 HD12 ILE 23 1HD1 ILE 23 0.659 -8.748 8.260 157 HD13 ILE 23 2HD1 ILE 23 -0.734 -9.714 7.715 158 H ARG 24 H ARG 24 0.186 -3.615 7.294 159 HA ARG 24 HA ARG 24 2.038 -4.875 9.151 160 HB3 ARG 24 2HB ARG 24 3.710 -4.265 7.724 161 HG3 ARG 24 2HG ARG 24 1.497 -2.717 6.333 162 HD3 ARG 24 2HD ARG 24 3.736 -2.749 4.619 163 HE ARG 24 HE ARG 24 2.302 -0.600 6.099 164 HH11 ARG 24 2HH2 ARG 24 4.389 -1.518 3.388 165 HH12 ARG 24 1HH2 ARG 24 4.144 -0.031 2.533 166 HH22 ARG 24 1HH ARG 24 2.723 1.648 3.485 167 H ASP 25 H ASP 25 1.862 -1.420 8.171 168 HA ASP 25 HA ASP 25 0.366 -0.790 10.541 169 HB3 ASP 25 2HB ASP 25 2.440 1.100 10.632 170 HD2 ASP 25 HD ASP 25 1.861 0.643 13.698 171 H ALA 26 H ALA 26 0.703 2.002 10.542 172 HA ALA 26 HA ALA 26 -0.206 2.688 7.843 173 HB1 ALA 26 1HB ALA 26 -1.250 4.635 8.990 174 HB2 ALA 26 2HB ALA 26 -1.809 3.081 9.654 175 HB3 ALA 26 3HB ALA 26 -0.604 4.046 10.540 176 H ASP 27 H ASP 27 1.959 3.727 10.549 177 HA ASP 27 HA ASP 27 2.968 5.976 9.513 178 HB3 ASP 27 2HB ASP 27 5.121 5.354 10.698 179 HD2 ASP 27 HD ASP 27 4.817 5.675 13.440 180 H GLU 28 H GLU 28 3.369 2.650 8.390 181 HA GLU 28 HA GLU 28 5.760 3.014 6.989 182 HB3 GLU 28 2HB GLU 28 5.256 0.867 5.965 183 HG3 GLU 28 2HG GLU 28 4.888 -0.488 7.912 184 HE2 GLU 28 HE GLU 28 7.688 0.429 8.219 185 H TYR 29 H TYR 29 2.276 3.068 5.969 186 HA TYR 29 HA TYR 29 2.705 3.569 3.282 187 HB3 TYR 29 2HB TYR 29 0.570 4.471 5.314 188 HD1 TYR 29 2HD TYR 29 0.176 6.651 4.149 189 HD2 TYR 29 1HD TYR 29 -0.280 2.899 2.144 190 HE1 TYR 29 2HE TYR 29 -1.162 7.788 2.311 191 HE2 TYR 29 1HE TYR 29 -1.617 4.049 0.312 192 HH TYR 29 HH TYR 29 -1.535 6.984 -0.405 193 H LEU 30 H LEU 30 2.856 5.735 6.109 194 HA LEU 30 HA LEU 30 2.537 8.164 4.853 195 HB3 LEU 30 2HB LEU 30 3.881 7.174 7.308 196 HG LEU 30 HG LEU 30 5.517 8.791 6.972 197 HD11 LEU 30 1HD1 LEU 30 3.560 9.980 5.181 198 HD12 LEU 30 2HD1 LEU 30 4.365 11.203 6.193 199 HD13 LEU 30 3HD1 LEU 30 5.335 10.102 5.184 200 HD21 LEU 30 3HD2 LEU 30 3.952 9.105 9.031 201 HD22 LEU 30 1HD2 LEU 30 5.162 10.351 8.640 202 HD23 LEU 30 2HD2 LEU 30 3.455 10.598 8.199 203 H ARG 31 H ARG 31 5.807 6.989 5.868 204 HA ARG 31 HA ARG 31 7.149 8.605 4.153 205 HB3 ARG 31 2HB ARG 31 8.843 6.421 4.350 206 HG3 ARG 31 2HG ARG 31 9.357 7.472 6.726 207 HD3 ARG 31 2HD ARG 31 9.491 9.550 4.554 208 HE ARG 31 HE ARG 31 10.940 9.056 6.881 209 HH11 ARG 31 2HH2 ARG 31 11.770 9.303 3.445 210 HH12 ARG 31 1HH2 ARG 31 13.377 9.875 3.746 211 HH22 ARG 31 1HH ARG 31 14.114 10.166 6.009 212 H GLU 32 H GLU 32 6.945 4.992 3.724 213 HA GLU 32 HA GLU 32 6.961 5.501 0.855 214 HB3 GLU 32 2HB GLU 32 7.688 2.990 0.818 215 HG3 GLU 32 2HG GLU 32 9.146 5.173 0.559 216 HE2 GLU 32 HE GLU 32 11.520 5.818 2.140 217 H HIS 33 H HIS 33 5.955 3.280 -0.278 218 HA HIS 33 HA HIS 33 3.485 2.650 1.129 219 HB3 HIS 33 2HB HIS 33 3.642 3.730 -1.698 220 HD1 HIS 33 1HD HIS 33 0.775 4.592 -1.968 221 HD2 HIS 33 2HD HIS 33 1.855 0.879 -0.342 222 HE1 HIS 33 1HE HIS 33 -1.262 3.078 -2.229 223 H ILE 34 H ILE 34 3.462 1.834 -2.201 224 HA ILE 34 HA ILE 34 5.160 -0.303 -2.389 225 HB ILE 34 HB ILE 34 3.264 -0.858 -0.433 226 HG13 ILE 34 2HG1 ILE 34 5.178 -2.051 -0.186 227 HG21 ILE 34 1HG2 ILE 34 2.612 -2.760 -2.641 228 HG22 ILE 34 2HG2 ILE 34 1.666 -2.292 -1.207 229 HG23 ILE 34 3HG2 ILE 34 1.779 -1.188 -2.599 230 HD11 ILE 34 3HD1 ILE 34 4.660 -4.301 -0.277 231 HD12 ILE 34 1HD1 ILE 34 3.040 -3.655 -0.634 232 HD13 ILE 34 2HD1 ILE 34 4.090 -4.208 -1.961 233 HA PRO 35 HA PRO 35 3.262 -0.402 -6.268 234 HB3 PRO 35 2HB PRO 35 4.812 -1.859 -7.148 235 HG3 PRO 35 2HG PRO 35 5.817 -3.245 -5.602 236 HD3 PRO 35 2HD PRO 35 5.543 -1.994 -3.693 237 H GLU 36 H GLU 36 1.185 0.310 -5.562 238 HA GLU 36 HA GLU 36 -0.982 0.145 -5.654 239 HB3 GLU 36 2HB GLU 36 -1.654 -2.477 -6.491 240 HG3 GLU 36 2HG GLU 36 -2.522 -0.187 -7.276 241 HE2 GLU 36 HE GLU 36 -0.452 1.572 -7.361 242 H ALA 37 H ALA 37 -1.451 0.267 -3.456 243 HA ALA 37 HA ALA 37 -2.346 -2.166 -2.232 244 HB1 ALA 37 1HB ALA 37 -0.211 -2.555 -1.433 245 HB2 ALA 37 2HB ALA 37 0.225 -0.829 -1.440 246 HB3 ALA 37 3HB ALA 37 -0.822 -1.478 -0.154 247 H ASP 38 H ASP 38 -2.754 -1.333 0.347 248 HA ASP 38 HA ASP 38 -3.603 1.365 0.402 249 HB3 ASP 38 2HB ASP 38 -5.994 -0.096 1.067 250 HD2 ASP 38 HD ASP 38 -7.008 2.240 0.913 251 H LEU 39 H LEU 39 -3.680 1.994 2.607 252 HA LEU 39 HA LEU 39 -2.585 0.532 4.564 253 HB3 LEU 39 2HB LEU 39 -4.828 2.529 4.902 254 HG LEU 39 HG LEU 39 -4.411 1.704 7.071 255 HD11 LEU 39 1HD1 LEU 39 -1.443 1.786 6.462 256 HD12 LEU 39 2HD1 LEU 39 -2.185 1.329 8.015 257 HD13 LEU 39 3HD1 LEU 39 -2.458 0.328 6.568 258 HD21 LEU 39 3HD2 LEU 39 -4.460 3.974 7.367 259 HD22 LEU 39 1HD2 LEU 39 -2.860 3.600 8.051 260 HD23 LEU 39 2HD2 LEU 39 -2.993 4.250 6.399 261 H ALA 40 H ALA 40 -3.037 -1.297 5.671 262 HA ALA 40 HA ALA 40 -5.624 -1.939 6.547 263 HB1 ALA 40 1HB ALA 40 -5.539 -4.155 5.025 264 HB2 ALA 40 2HB ALA 40 -6.375 -2.674 4.502 265 HB3 ALA 40 3HB ALA 40 -4.736 -3.028 3.905 266 HA PRO 41 HA PRO 41 -2.082 -3.905 8.556 267 HB3 PRO 41 2HB PRO 41 -1.407 -2.153 9.889 268 HG3 PRO 41 2HG PRO 41 -2.851 -0.355 9.923 269 HD3 PRO 41 2HD PRO 41 -3.920 -0.653 7.909 270 H LEU 42 H LEU 42 -2.001 -5.879 9.541 271 HA LEU 42 HA LEU 42 -4.235 -7.387 9.577 272 HB3 LEU 42 2HB LEU 42 -2.017 -7.719 11.589 273 HG LEU 42 HG LEU 42 -3.751 -9.457 11.677 274 HD11 LEU 42 1HD1 LEU 42 -3.458 -10.931 9.346 275 HD12 LEU 42 2HD1 LEU 42 -4.858 -9.932 9.805 276 HD13 LEU 42 3HD1 LEU 42 -3.576 -9.249 8.776 277 HD21 LEU 42 3HD2 LEU 42 -1.797 -10.426 12.317 278 HD22 LEU 42 1HD2 LEU 42 -2.117 -11.396 10.860 279 HD23 LEU 42 2HD2 LEU 42 -0.968 -10.039 10.790 280 H SER 43 H SER 43 -3.138 -5.060 12.044 281 HA SER 43 HA SER 43 -4.608 -5.849 14.167 282 HB3 SER 43 2HB SER 43 -4.860 -3.061 14.202 283 HG SER 43 HG SER 43 -2.553 -3.319 15.175 284 H VAL 44 H VAL 44 -5.679 -4.299 11.143 285 HA VAL 44 HA VAL 44 -8.337 -3.844 12.207 286 HB VAL 44 HB VAL 44 -8.680 -2.517 10.391 287 HG11 VAL 44 1HG1 VAL 44 -6.746 -1.162 9.999 288 HG12 VAL 44 2HG1 VAL 44 -6.631 -1.780 11.664 289 HG13 VAL 44 3HG1 VAL 44 -5.647 -2.511 10.374 290 HG21 VAL 44 3HG2 VAL 44 -6.667 -4.137 8.794 291 HG22 VAL 44 1HG2 VAL 44 -8.438 -4.301 8.712 292 HG23 VAL 44 2HG2 VAL 44 -7.658 -2.791 8.181 293 H LEU 45 H LEU 45 -6.612 -5.926 9.814 294 HA LEU 45 HA LEU 45 -8.648 -7.207 8.626 295 HB3 LEU 45 2HB LEU 45 -7.104 -9.259 8.744 296 HG LEU 45 HG LEU 45 -5.166 -7.952 7.539 297 HD11 LEU 45 1HD1 LEU 45 -7.862 -8.772 6.678 298 HD12 LEU 45 2HD1 LEU 45 -7.035 -7.640 5.580 299 HD13 LEU 45 3HD1 LEU 45 -6.261 -9.182 6.017 300 HD21 LEU 45 3HD2 LEU 45 -7.328 -5.859 7.794 301 HD22 LEU 45 1HD2 LEU 45 -5.595 -5.727 8.182 302 HD23 LEU 45 2HD2 LEU 45 -6.121 -5.841 6.485 303 H GLU 46 H GLU 46 -7.265 -8.070 11.870 304 HA GLU 46 HA GLU 46 -9.059 -10.120 12.334 305 HB3 GLU 46 2HB GLU 46 -8.436 -9.169 14.865 306 HG3 GLU 46 2HG GLU 46 -6.143 -10.562 13.748 307 HE2 GLU 46 HE GLU 46 -5.635 -11.902 15.389 308 H GLN 47 H GLN 47 -9.263 -6.584 12.851 309 HA GLN 47 HA GLN 47 -11.590 -6.738 14.427 310 HB3 GLN 47 2HB GLN 47 -11.176 -4.228 12.919 311 HG3 GLN 47 2HG GLN 47 -10.720 -4.558 15.877 312 HE21 GLN 47 1HE2 GLN 47 -12.832 -3.144 13.375 313 HE22 GLN 47 2HE2 GLN 47 -12.688 -1.492 13.876 314 H SER 48 H SER 48 -10.889 -6.737 10.963 315 HA SER 48 HA SER 48 -13.737 -6.995 10.509 316 HB3 SER 48 2HB SER 48 -12.534 -5.561 8.288 317 HG SER 48 HG SER 48 -14.860 -5.671 9.475 318 H GLY 49 H GLY 49 -10.731 -6.709 8.471 319 HA2 GLY 49 1HA GLY 49 -9.694 -8.873 7.833 320 HA3 GLY 49 2HA GLY 49 -11.311 -9.423 7.441 321 H LEU 50 H LEU 50 -9.843 -9.719 5.327 322 HA LEU 50 HA LEU 50 -8.997 -7.733 3.742 323 HB3 LEU 50 2HB LEU 50 -10.029 -10.426 3.384 324 HG LEU 50 HG LEU 50 -11.391 -8.960 1.664 325 HD11 LEU 50 1HD1 LEU 50 -10.323 -7.994 -0.049 326 HD12 LEU 50 2HD1 LEU 50 -8.890 -8.065 1.005 327 HD13 LEU 50 3HD1 LEU 50 -9.161 -9.332 -0.215 328 HD21 LEU 50 3HD2 LEU 50 -9.836 -11.376 0.709 329 HD22 LEU 50 1HD2 LEU 50 -11.245 -11.450 1.794 330 HD23 LEU 50 2HD2 LEU 50 -11.426 -10.810 0.143 331 HA PRO 51 HA PRO 51 -12.505 -5.246 3.112 332 HB3 PRO 51 2HB PRO 51 -11.254 -3.318 3.254 333 HG3 PRO 51 2HG PRO 51 -8.983 -3.621 2.989 334 HD3 PRO 51 2HD PRO 51 -8.792 -5.828 3.604 335 H ALA 52 H ALA 52 -13.865 -4.278 1.325 336 HA ALA 52 HA ALA 52 -14.109 -6.374 -0.634 337 HB1 ALA 52 1HB ALA 52 -16.170 -5.197 -1.230 338 HB2 ALA 52 2HB ALA 52 -16.061 -5.363 0.539 339 HB3 ALA 52 3HB ALA 52 -15.691 -3.802 -0.232 340 H LYS 53 H LYS 53 -13.397 -2.821 -0.558 341 HA LYS 53 HA LYS 53 -13.183 -2.409 -3.259 342 HB3 LYS 53 2HB LYS 53 -13.188 -0.567 -1.749 343 HG3 LYS 53 2HG LYS 53 -10.418 -0.964 -0.738 344 HD3 LYS 53 2HD LYS 53 -11.800 -0.383 1.438 345 HE3 LYS 53 2HE LYS 53 -11.860 1.751 -0.723 346 HZ1 LYS 53 2HZ LYS 53 -12.446 2.569 1.392 347 HZ3 LYS 53 1HZ LYS 53 -10.864 2.943 1.295 348 H LEU 54 H LEU 54 -10.957 -4.038 -1.010 349 HA LEU 54 HA LEU 54 -9.173 -4.501 -3.299 350 HB3 LEU 54 2HB LEU 54 -7.329 -4.546 -1.854 351 HG LEU 54 HG LEU 54 -9.106 -2.236 -1.555 352 HD11 LEU 54 1HD1 LEU 54 -7.417 -1.379 0.320 353 HD12 LEU 54 2HD1 LEU 54 -8.956 -2.182 0.714 354 HD13 LEU 54 3HD1 LEU 54 -7.434 -3.104 0.754 355 HD21 LEU 54 3HD2 LEU 54 -6.900 -1.045 -1.842 356 HD22 LEU 54 1HD2 LEU 54 -6.137 -2.649 -1.955 357 HD23 LEU 54 2HD2 LEU 54 -7.355 -2.157 -3.156 358 H ARG 55 H ARG 55 -11.376 -6.059 -3.287 359 HA ARG 55 HA ARG 55 -10.454 -8.489 -1.976 360 HB3 ARG 55 2HB ARG 55 -12.716 -7.634 -1.245 361 HG3 ARG 55 2HG ARG 55 -13.081 -7.140 -3.984 362 HD3 ARG 55 2HD ARG 55 -14.644 -9.596 -3.082 363 HE ARG 55 HE ARG 55 -15.523 -7.448 -4.901 364 HH11 ARG 55 2HH2 ARG 55 -15.896 -10.847 -3.969 365 HH12 ARG 55 1HH2 ARG 55 -17.467 -10.999 -4.684 366 HH22 ARG 55 1HH ARG 55 -18.446 -9.106 -5.781 367 H HIS 56 H HIS 56 -9.993 -7.057 -4.776 368 HA HIS 56 HA HIS 56 -11.112 -8.207 -6.864 369 HB3 HIS 56 2HB HIS 56 -8.106 -8.193 -6.727 370 HD1 HIS 56 1HD HIS 56 -9.646 -5.617 -8.800 371 HD2 HIS 56 2HD HIS 56 -8.722 -9.685 -9.235 372 HE1 HIS 56 1HE HIS 56 -9.694 -6.097 -11.306 373 H GLU 57 H GLU 57 -10.975 -10.150 -8.107 374 HA GLU 57 HA GLU 57 -11.190 -12.446 -6.829 375 HB3 GLU 57 2HB GLU 57 -9.789 -12.193 -9.525 376 HG3 GLU 57 2HG GLU 57 -11.186 -14.391 -8.030 377 HE2 GLU 57 HE GLU 57 -10.762 -14.748 -11.669 378 H GLN 58 H GLN 58 -8.151 -10.757 -7.545 379 HA GLN 58 HA GLN 58 -6.800 -12.831 -6.018 380 HB3 GLN 58 2HB GLN 58 -4.765 -12.369 -7.559 381 HG3 GLN 58 2HG GLN 58 -6.995 -14.160 -7.808 382 HE21 GLN 58 1HE2 GLN 58 -7.896 -15.201 -9.542 383 HE22 GLN 58 2HE2 GLN 58 -7.944 -14.547 -11.145 384 H ILE 59 H ILE 59 -5.399 -12.048 -4.439 385 HA ILE 59 HA ILE 59 -4.764 -9.195 -4.557 386 HB ILE 59 HB ILE 59 -5.801 -8.661 -2.669 387 HG13 ILE 59 2HG1 ILE 59 -4.239 -9.875 -1.264 388 HG21 ILE 59 1HG2 ILE 59 -7.540 -9.844 -4.003 389 HG22 ILE 59 2HG2 ILE 59 -7.248 -11.298 -3.019 390 HG23 ILE 59 3HG2 ILE 59 -7.865 -9.815 -2.253 391 HD11 ILE 59 3HD1 ILE 59 -5.636 -10.186 0.646 392 HD12 ILE 59 1HD1 ILE 59 -6.490 -8.979 -0.345 393 HD13 ILE 59 2HD1 ILE 59 -7.027 -10.677 -0.352 394 H ILE 60 H ILE 60 -3.035 -8.702 -2.757 395 HA ILE 60 HA ILE 60 -1.289 -11.022 -2.425 396 HB ILE 60 HB ILE 60 -0.525 -8.393 -3.692 397 HG13 ILE 60 2HG1 ILE 60 -1.390 -9.765 -5.375 398 HG21 ILE 60 1HG2 ILE 60 1.317 -10.650 -2.857 399 HG22 ILE 60 2HG2 ILE 60 1.772 -9.128 -3.660 400 HG23 ILE 60 3HG2 ILE 60 1.140 -9.102 -1.996 401 HD11 ILE 60 3HD1 ILE 60 1.580 -10.455 -5.183 402 HD12 ILE 60 1HD1 ILE 60 0.578 -10.580 -6.650 403 HD13 ILE 60 2HD1 ILE 60 0.904 -8.985 -5.927 404 H PHE 61 H PHE 61 0.255 -10.775 -0.656 405 HA PHE 61 HA PHE 61 -0.513 -8.607 1.168 406 HB3 PHE 61 2HB PHE 61 0.168 -10.574 2.879 407 HD1 PHE 61 2HD PHE 61 -1.988 -8.550 2.483 408 HD2 PHE 61 1HD PHE 61 -2.057 -12.777 2.127 409 HE1 PHE 61 2HE PHE 61 -4.440 -8.554 3.018 410 HE2 PHE 61 1HE PHE 61 -4.510 -12.783 2.663 411 HZ PHE 61 HZ PHE 61 -5.672 -10.671 3.101 412 H HIS 62 H HIS 62 1.168 -7.814 2.572 413 HA HIS 62 HA HIS 62 3.782 -8.928 2.361 414 HB3 HIS 62 2HB HIS 62 3.184 -7.286 0.291 415 HD1 HIS 62 1HD HIS 62 6.007 -5.524 1.867 416 HD2 HIS 62 2HD HIS 62 1.906 -4.842 1.310 417 HE1 HIS 62 1HE HIS 62 5.631 -3.037 2.295 418 H CYS 63 H CYS 63 5.253 -6.682 3.266 419 HA CYS 63 HA CYS 63 3.853 -5.356 5.333 420 HB3 CYS 63 2HB CYS 63 5.723 -6.713 6.931 421 HG CYS 63 HG CYS 63 2.545 -6.350 6.435 422 H GLN 64 H GLN 64 6.088 -4.815 7.025 423 HA GLN 64 HA GLN 64 7.343 -2.829 5.829 424 HB3 GLN 64 2HB GLN 64 8.470 -4.764 7.893 425 HG3 GLN 64 2HG GLN 64 9.434 -1.923 7.396 426 HE21 GLN 64 1HE2 GLN 64 11.634 -1.699 8.263 427 HE22 GLN 64 2HE2 GLN 64 12.055 -2.519 9.730 428 H ALA 65 H ALA 65 9.582 -5.539 6.518 429 HA ALA 65 HA ALA 65 10.064 -6.378 3.928 430 HB1 ALA 65 1HB ALA 65 10.831 -3.762 4.094 431 HB2 ALA 65 2HB ALA 65 12.337 -4.579 4.577 432 HB3 ALA 65 3HB ALA 65 11.585 -4.953 3.008 433 H GLY 66 H GLY 66 10.602 -8.401 4.604 434 HA2 GLY 66 1HA GLY 66 12.356 -9.830 5.273 435 HA3 GLY 66 2HA GLY 66 12.907 -8.626 6.422 436 H LYS 67 H LYS 67 10.390 -7.904 7.625 437 HA LYS 67 HA LYS 67 10.209 -9.654 9.680 438 HB3 LYS 67 2HB LYS 67 7.705 -8.285 8.783 439 HG3 LYS 67 2HG LYS 67 9.093 -9.071 11.288 440 HD3 LYS 67 2HD LYS 67 7.413 -6.833 11.970 441 HE3 LYS 67 2HE LYS 67 10.123 -7.876 12.520 442 HZ1 LYS 67 2HZ LYS 67 10.406 -5.373 13.485 443 HZ3 LYS 67 1HZ LYS 67 9.762 -5.050 12.026 444 H ARG 68 H ARG 68 8.941 -10.012 6.413 445 HA ARG 68 HA ARG 68 8.257 -11.845 5.431 446 HB3 ARG 68 2HB ARG 68 7.530 -13.470 7.821 447 HG3 ARG 68 2HG ARG 68 7.845 -14.253 5.377 448 HD3 ARG 68 2HD ARG 68 10.778 -14.010 6.211 449 HE ARG 68 HE ARG 68 9.466 -15.616 4.156 450 HH11 ARG 68 2HH2 ARG 68 12.434 -13.847 4.942 451 HH12 ARG 68 1HH2 ARG 68 13.417 -14.766 3.851 452 HH22 ARG 68 1HH ARG 68 12.415 -16.515 2.555 453 H THR 69 H THR 69 6.133 -12.536 4.750 454 HA THR 69 HA THR 69 3.970 -11.287 6.295 455 HB THR 69 HB THR 69 3.851 -12.243 3.406 456 HG1 THR 69 1HG THR 69 5.751 -10.836 3.818 457 HG21 THR 69 3HG2 THR 69 2.333 -10.278 3.198 458 HG22 THR 69 1HG2 THR 69 1.745 -11.380 4.468 459 HG23 THR 69 2HG2 THR 69 2.602 -9.885 4.914 460 H SER 70 H SER 70 5.470 -14.261 5.886 461 HA SER 70 HA SER 70 3.055 -15.783 5.784 462 HB3 SER 70 2HB SER 70 4.952 -16.774 4.710 463 HG SER 70 HG SER 70 6.573 -17.148 6.944 464 H ASN 71 H ASN 71 4.777 -14.038 8.156 465 HA ASN 71 HA ASN 71 4.766 -15.693 10.324 466 HB3 ASN 71 2HB ASN 71 4.164 -13.258 11.467 467 HD21 ASN 71 1HD2 ASN 71 6.535 -14.614 9.195 468 HD22 ASN 71 2HD2 ASN 71 7.929 -14.468 10.212 469 H ASN 72 H ASN 72 2.128 -14.338 8.496 470 HA ASN 72 HA ASN 72 0.292 -15.326 10.505 471 HB3 ASN 72 2HB ASN 72 -1.186 -13.358 10.230 472 HD21 ASN 72 1HD2 ASN 72 2.151 -12.282 9.698 473 HD22 ASN 72 2HD2 ASN 72 2.450 -11.674 11.291 474 H ALA 73 H ALA 73 1.412 -16.273 7.863 475 HA ALA 73 HA ALA 73 -0.441 -15.795 5.806 476 HB1 ALA 73 1HB ALA 73 1.468 -16.646 4.904 477 HB2 ALA 73 2HB ALA 73 1.862 -17.580 6.367 478 HB3 ALA 73 3HB ALA 73 0.680 -18.215 5.198 479 H ASP 74 H ASP 74 -0.652 -17.567 8.757 480 HA ASP 74 HA ASP 74 -2.279 -19.654 7.877 481 HB3 ASP 74 2HB ASP 74 -2.963 -19.723 10.348 482 HD2 ASP 74 HD ASP 74 -0.017 -21.682 9.800 483 H LYS 75 H LYS 75 -2.981 -16.523 9.618 484 HA LYS 75 HA LYS 75 -5.795 -16.819 9.270 485 HB3 LYS 75 2HB LYS 75 -5.217 -14.156 9.946 486 HG3 LYS 75 2HG LYS 75 -6.007 -14.839 12.157 487 HD3 LYS 75 2HD LYS 75 -7.642 -16.857 10.912 488 HE3 LYS 75 2HE LYS 75 -8.071 -13.859 11.326 489 HZ1 LYS 75 2HZ LYS 75 -9.896 -16.071 10.623 490 HZ3 LYS 75 1HZ LYS 75 -9.810 -14.588 9.955 491 H LEU 76 H LEU 76 -3.272 -14.601 7.888 492 HA LEU 76 HA LEU 76 -4.824 -13.172 6.198 493 HB3 LEU 76 2HB LEU 76 -2.746 -13.164 4.708 494 HG LEU 76 HG LEU 76 -2.420 -12.482 7.642 495 HD11 LEU 76 1HD1 LEU 76 -0.794 -11.040 5.651 496 HD12 LEU 76 2HD1 LEU 76 -0.373 -11.638 7.273 497 HD13 LEU 76 3HD1 LEU 76 -0.359 -12.750 5.883 498 HD21 LEU 76 3HD2 LEU 76 -3.990 -10.967 7.119 499 HD22 LEU 76 1HD2 LEU 76 -2.652 -10.117 6.309 500 HD23 LEU 76 2HD2 LEU 76 -3.745 -11.159 5.366 501 H ALA 77 H ALA 77 -3.975 -16.599 6.004 502 HA ALA 77 HA ALA 77 -4.730 -16.864 3.262 503 HB1 ALA 77 1HB ALA 77 -4.035 -18.722 5.543 504 HB2 ALA 77 2HB ALA 77 -4.701 -19.365 4.022 505 HB3 ALA 77 3HB ALA 77 -3.173 -18.453 4.010 506 H ALA 78 H ALA 78 -6.246 -17.532 6.480 507 HA ALA 78 HA ALA 78 -8.716 -18.279 5.162 508 HB1 ALA 78 1HB ALA 78 -9.417 -18.968 7.335 509 HB2 ALA 78 2HB ALA 78 -7.700 -19.423 7.218 510 HB3 ALA 78 3HB ALA 78 -8.176 -17.973 8.135 511 H ILE 79 H ILE 79 -7.363 -15.453 5.173 512 HA ILE 79 HA ILE 79 -9.695 -14.031 6.253 513 HB ILE 79 HB ILE 79 -6.785 -13.445 6.243 514 HG13 ILE 79 2HG1 ILE 79 -8.084 -14.201 8.253 515 HG21 ILE 79 1HG2 ILE 79 -8.899 -11.288 5.999 516 HG22 ILE 79 2HG2 ILE 79 -7.206 -11.020 6.477 517 HG23 ILE 79 3HG2 ILE 79 -7.583 -11.637 4.851 518 HD11 ILE 79 3HD1 ILE 79 -7.197 -11.400 8.857 519 HD12 ILE 79 1HD1 ILE 79 -6.767 -12.928 9.664 520 HD13 ILE 79 2HD1 ILE 79 -5.995 -12.489 8.122 521 H ALA 80 H ALA 80 -7.661 -14.769 3.464 522 HA ALA 80 HA ALA 80 -9.278 -12.895 1.877 523 HB1 ALA 80 1HB ALA 80 -6.569 -12.958 2.100 524 HB2 ALA 80 2HB ALA 80 -6.796 -14.090 0.746 525 HB3 ALA 80 3HB ALA 80 -7.422 -12.428 0.630 526 H ALA 81 H ALA 81 -7.912 -16.222 2.133 527 HA ALA 81 HA ALA 81 -8.642 -17.388 -0.142 528 HB1 ALA 81 1HB ALA 81 -9.175 -19.420 1.280 529 HB2 ALA 81 2HB ALA 81 -7.623 -18.631 1.649 530 HB3 ALA 81 3HB ALA 81 -9.029 -18.371 2.709 531 HA PRO 82 HA PRO 82 -9.570 -19.253 -0.633 532 HB3 PRO 82 2HB PRO 82 -11.121 -20.762 -1.420 533 HG3 PRO 82 2HG PRO 82 -13.283 -19.964 -1.504 534 HD3 PRO 82 2HD PRO 82 -13.169 -18.305 0.084 535 H ALA 83 H ALA 83 -10.447 -16.232 -1.548 536 HA ALA 83 HA ALA 83 -9.532 -15.776 -4.019 537 HB1 ALA 83 1HB ALA 83 -8.748 -14.121 -1.589 538 HB2 ALA 83 2HB ALA 83 -8.968 -13.550 -3.260 539 HB3 ALA 83 3HB ALA 83 -10.372 -14.111 -2.321 540 H GLU 84 H GLU 84 -7.536 -15.491 -5.096 541 HA GLU 84 HA GLU 84 -5.467 -17.106 -4.039 542 HB3 GLU 84 2HB GLU 84 -4.294 -16.101 -6.214 543 HG3 GLU 84 2HG GLU 84 -5.919 -17.661 -7.595 544 HE2 GLU 84 HE GLU 84 -4.190 -19.405 -4.549 545 H ILE 85 H ILE 85 -3.946 -16.437 -2.595 546 HA ILE 85 HA ILE 85 -3.311 -13.570 -2.583 547 HB ILE 85 HB ILE 85 -3.714 -15.590 -0.453 548 HG13 ILE 85 2HG1 ILE 85 -4.051 -12.592 -0.329 549 HG21 ILE 85 1HG2 ILE 85 -2.267 -14.488 1.133 550 HG22 ILE 85 2HG2 ILE 85 -1.304 -15.051 -0.254 551 HG23 ILE 85 3HG2 ILE 85 -1.727 -13.329 -0.106 552 HD11 ILE 85 3HD1 ILE 85 -6.466 -13.108 -0.961 553 HD12 ILE 85 1HD1 ILE 85 -5.300 -13.235 -2.300 554 HD13 ILE 85 2HD1 ILE 85 -5.905 -14.708 -1.504 555 H PHE 86 H PHE 86 -0.995 -13.080 -1.897 556 HA PHE 86 HA PHE 86 0.879 -15.193 -2.497 557 HB3 PHE 86 2HB PHE 86 1.946 -13.670 -4.264 558 HD1 PHE 86 2HD PHE 86 1.574 -15.927 -5.249 559 HD2 PHE 86 1HD PHE 86 -1.495 -12.998 -5.151 560 HE1 PHE 86 2HE PHE 86 0.306 -17.196 -7.005 561 HE2 PHE 86 1HE PHE 86 -2.762 -14.266 -6.907 562 HZ PHE 86 HZ PHE 86 -1.847 -16.350 -7.813 563 H LEU 87 H LEU 87 3.242 -14.068 -2.497 564 HA LEU 87 HA LEU 87 3.216 -12.003 -0.417 565 HB3 LEU 87 2HB LEU 87 5.121 -13.164 0.655 566 HG LEU 87 HG LEU 87 2.734 -15.020 0.502 567 HD11 LEU 87 1HD1 LEU 87 5.003 -14.662 2.448 568 HD12 LEU 87 2HD1 LEU 87 3.453 -15.376 2.953 569 HD13 LEU 87 3HD1 LEU 87 4.409 -16.146 1.664 570 HD21 LEU 87 3HD2 LEU 87 1.498 -13.330 1.262 571 HD22 LEU 87 1HD2 LEU 87 2.421 -13.471 2.777 572 HD23 LEU 87 2HD2 LEU 87 2.922 -12.298 1.535 573 H LEU 88 H LEU 88 4.097 -10.220 -1.309 574 HA LEU 88 HA LEU 88 5.606 -10.291 -3.658 575 HB3 LEU 88 2HB LEU 88 5.551 -8.087 -1.599 576 HG LEU 88 HG LEU 88 7.041 -7.584 -3.458 577 HD11 LEU 88 1HD1 LEU 88 6.485 -8.922 -5.248 578 HD12 LEU 88 2HD1 LEU 88 4.744 -8.572 -5.116 579 HD13 LEU 88 3HD1 LEU 88 5.852 -7.344 -5.776 580 HD21 LEU 88 3HD2 LEU 88 4.614 -6.106 -2.854 581 HD22 LEU 88 1HD2 LEU 88 6.279 -5.526 -3.098 582 HD23 LEU 88 2HD2 LEU 88 5.206 -5.765 -4.498 583 H GLU 89 H GLU 89 7.294 -11.829 -3.435 584 HA GLU 89 HA GLU 89 9.158 -12.697 -2.623 585 HB3 GLU 89 2HB GLU 89 9.911 -9.783 -3.092 586 HG3 GLU 89 2HG GLU 89 11.524 -11.480 -1.708 587 HE2 GLU 89 HE GLU 89 11.744 -13.984 -2.916 588 H ASP 90 H ASP 90 10.226 -9.625 -1.217 589 HA ASP 90 HA ASP 90 9.759 -10.788 1.416 590 HB3 ASP 90 2HB ASP 90 11.922 -9.095 1.770 591 HD2 ASP 90 HD ASP 90 14.196 -11.203 1.958 592 H GLY 91 H GLY 91 7.727 -9.421 1.311 593 HA2 GLY 91 1HA GLY 91 6.547 -7.585 1.848 594 HA3 GLY 91 2HA GLY 91 7.991 -6.969 2.625 595 H ILE 92 H ILE 92 9.141 -5.288 1.684 596 HA ILE 92 HA ILE 92 8.076 -4.355 -0.877 597 HB ILE 92 HB ILE 92 7.870 -2.872 1.073 598 HG13 ILE 92 2HG1 ILE 92 8.889 -2.254 -1.514 599 HG21 ILE 92 1HG2 ILE 92 10.734 -2.170 1.121 600 HG22 ILE 92 2HG2 ILE 92 9.549 -2.285 2.444 601 HG23 ILE 92 3HG2 ILE 92 10.332 -3.756 1.822 602 HD11 ILE 92 3HD1 ILE 92 6.903 -1.176 -1.260 603 HD12 ILE 92 1HD1 ILE 92 7.027 -1.211 0.514 604 HD13 ILE 92 2HD1 ILE 92 7.825 0.085 -0.409 605 H ASP 93 H ASP 93 10.890 -5.682 0.758 606 HA ASP 93 HA ASP 93 12.977 -4.771 -0.582 607 HB3 ASP 93 2HB ASP 93 12.247 -7.650 0.093 608 HD2 ASP 93 HD ASP 93 15.138 -5.765 -0.346 609 H GLY 94 H GLY 94 10.282 -6.704 -1.843 610 HA2 GLY 94 1HA GLY 94 11.558 -7.596 -4.239 611 HA3 GLY 94 2HA GLY 94 9.847 -7.623 -3.862 612 H TRP 95 H TRP 95 8.912 -5.165 -3.634 613 HA TRP 95 HA TRP 95 8.748 -4.143 -6.145 614 HB3 TRP 95 2HB TRP 95 8.512 -2.626 -3.540 615 HD1 TRP 95 HD TRP 95 7.979 -0.113 -3.967 616 HE1 TRP 95 1HE TRP 95 7.011 1.415 -5.890 617 HE3 TRP 95 3HE TRP 95 7.104 -3.896 -7.251 618 HZ2 TRP 95 2HZ TRP 95 6.011 0.881 -8.509 619 HZ3 TRP 95 3HZ TRP 95 6.130 -3.306 -9.469 620 HH2 TRP 95 HH TRP 95 5.587 -1.014 -10.118 621 H LYS 96 H LYS 96 11.100 -3.369 -3.518 622 HA LYS 96 HA LYS 96 12.376 -1.322 -5.024 623 HB3 LYS 96 2HB LYS 96 13.096 -2.817 -2.494 624 HG3 LYS 96 2HG LYS 96 15.104 -1.928 -3.893 625 HD3 LYS 96 2HD LYS 96 14.823 0.759 -2.828 626 HE3 LYS 96 2HE LYS 96 14.940 1.141 -5.485 627 HZ1 LYS 96 2HZ LYS 96 17.028 1.572 -4.823 628 HZ3 LYS 96 1HZ LYS 96 17.406 -0.011 -4.836 629 H LYS 97 H LYS 97 12.707 -4.847 -4.662 630 HA LYS 97 HA LYS 97 15.227 -5.304 -5.509 631 HB3 LYS 97 2HB LYS 97 12.869 -6.869 -6.568 632 HG3 LYS 97 2HG LYS 97 15.620 -7.259 -6.763 633 HD3 LYS 97 2HD LYS 97 14.626 -8.334 -4.169 634 HE3 LYS 97 2HE LYS 97 16.526 -10.046 -5.816 635 HZ1 LYS 97 2HZ LYS 97 14.883 -10.603 -3.403 636 HZ3 LYS 97 1HZ LYS 97 16.483 -10.295 -3.378 637 H ALA 98 H ALA 98 12.415 -5.188 -7.812 638 HA ALA 98 HA ALA 98 14.007 -5.014 -10.081 639 HB1 ALA 98 1HB ALA 98 11.217 -4.954 -9.358 640 HB2 ALA 98 2HB ALA 98 11.540 -3.672 -10.550 641 HB3 ALA 98 3HB ALA 98 11.956 -5.362 -10.924 642 H GLY 99 H GLY 99 13.187 -2.650 -7.627 643 HA2 GLY 99 1HA GLY 99 14.365 -0.657 -7.385 644 HA3 GLY 99 2HA GLY 99 14.737 -0.646 -9.097 645 H LEU 100 H LEU 100 11.444 -1.435 -8.056 646 HA LEU 100 HA LEU 100 10.434 0.788 -9.524 647 HB3 LEU 100 2HB LEU 100 8.290 -0.125 -9.065 648 HG LEU 100 HG LEU 100 8.401 -2.086 -10.163 649 HD11 LEU 100 1HD1 LEU 100 11.383 -1.694 -10.328 650 HD12 LEU 100 2HD1 LEU 100 10.246 -2.249 -11.580 651 HD13 LEU 100 3HD1 LEU 100 10.249 -0.542 -11.074 652 HD21 LEU 100 3HD2 LEU 100 9.140 -3.177 -7.942 653 HD22 LEU 100 1HD2 LEU 100 9.466 -4.033 -9.468 654 HD23 LEU 100 2HD2 LEU 100 10.774 -3.148 -8.647 655 HA PRO 101 HA PRO 101 10.376 3.567 -6.197 656 HB3 PRO 101 2HB PRO 101 10.701 5.360 -7.606 657 HG3 PRO 101 2HG PRO 101 10.196 4.949 -9.818 658 HD3 PRO 101 2HD PRO 101 10.449 2.664 -9.879 659 H VAL 102 H VAL 102 9.296 3.617 -4.328 660 HA VAL 102 HA VAL 102 6.602 2.622 -4.445 661 HB VAL 102 HB VAL 102 7.809 3.673 -1.939 662 HG11 VAL 102 1HG1 VAL 102 6.442 1.042 -2.603 663 HG12 VAL 102 2HG1 VAL 102 6.812 1.680 -0.982 664 HG13 VAL 102 3HG1 VAL 102 5.614 2.502 -2.011 665 HG21 VAL 102 3HG2 VAL 102 8.988 1.264 -1.923 666 HG22 VAL 102 1HG2 VAL 102 9.087 1.605 -3.666 667 HG23 VAL 102 2HG2 VAL 102 9.812 2.733 -2.497 668 H ALA 103 H ALA 103 4.828 3.787 -3.192 669 HA ALA 103 HA ALA 103 4.678 6.463 -4.211 670 HB1 ALA 103 1HB ALA 103 2.473 6.021 -4.130 671 HB2 ALA 103 2HB ALA 103 2.892 4.385 -3.568 672 HB3 ALA 103 3HB ALA 103 2.549 5.671 -2.387 673 H VAL 104 H VAL 104 6.234 7.719 -3.118 674 HA VAL 104 HA VAL 104 6.017 7.772 -0.204 675 HB VAL 104 HB VAL 104 8.096 9.214 -0.473 676 HG11 VAL 104 1HG1 VAL 104 8.090 6.308 -1.348 677 HG12 VAL 104 2HG1 VAL 104 9.554 7.216 -0.900 678 HG13 VAL 104 3HG1 VAL 104 8.273 6.944 0.304 679 HG21 VAL 104 3HG2 VAL 104 8.625 7.991 -3.116 680 HG22 VAL 104 1HG2 VAL 104 7.424 9.304 -3.112 681 HG23 VAL 104 2HG2 VAL 104 9.063 9.595 -2.480 682 H ASN 105 H ASN 105 6.519 10.216 0.615 683 HA ASN 105 HA ASN 105 4.244 11.586 0.355 684 HB3 ASN 105 2HB ASN 105 6.706 13.297 0.519 685 HD21 ASN 105 1HD2 ASN 105 5.570 15.087 0.834 686 HD22 ASN 105 2HD2 ASN 105 4.397 15.350 2.081 687 H LYS 106 H LYS 106 3.397 11.895 -1.770 688 HA LYS 106 HA LYS 106 3.220 12.647 -3.845 689 HB3 LYS 106 2HB LYS 106 4.691 15.041 -3.860 690 HG3 LYS 106 2HG LYS 106 1.831 14.487 -2.934 691 HD3 LYS 106 2HD LYS 106 3.199 16.988 -4.031 692 HE3 LYS 106 2HE LYS 106 0.358 17.111 -3.162 693 HZ1 LYS 106 2HZ LYS 106 0.401 18.360 -5.397 694 HZ3 LYS 106 1HZ LYS 106 2.022 18.214 -5.339 695 H SER 107 H SER 107 4.229 11.132 -5.137 696 HA SER 107 HA SER 107 7.086 11.235 -5.351 697 HB3 SER 107 2HB SER 107 6.363 9.019 -5.398 698 HG SER 107 HG SER 107 4.430 9.056 -7.377 699 H GLN 108 H GLN 108 4.473 12.903 -6.695 700 HA GLN 108 HA GLN 108 6.022 13.404 -9.116 701 HB3 GLN 108 2HB GLN 108 3.827 12.143 -9.470 702 HG3 GLN 108 2HG GLN 108 2.597 14.872 -8.889 703 HE21 GLN 108 1HE2 GLN 108 1.872 11.392 -8.679 704 HE22 GLN 108 2HE2 GLN 108 0.437 11.406 -9.650 Start of MODEL 3 1 H1 ALA 1 H ALA 1 0.711 -21.427 0.193 2 HA ALA 1 HA ALA 1 -1.564 -22.482 -0.710 3 HB1 ALA 1 1HB ALA 1 -1.984 -21.330 2.045 4 HB2 ALA 1 2HB ALA 1 -3.279 -21.201 0.830 5 HB3 ALA 1 3HB ALA 1 -2.670 -22.802 1.317 6 H LEU 2 H LEU 2 0.106 -19.640 0.612 7 HA LEU 2 HA LEU 2 -1.262 -17.937 -1.324 8 HB3 LEU 2 2HB LEU 2 -0.096 -16.108 -0.102 9 HG LEU 2 HG LEU 2 -1.455 -17.683 2.046 10 HD11 LEU 2 1HD1 LEU 2 -1.032 -15.576 2.821 11 HD12 LEU 2 2HD1 LEU 2 -1.189 -14.825 1.215 12 HD13 LEU 2 3HD1 LEU 2 -2.644 -15.324 2.111 13 HD21 LEU 2 3HD2 LEU 2 -2.769 -16.777 -0.514 14 HD22 LEU 2 1HD2 LEU 2 -2.867 -18.356 0.300 15 HD23 LEU 2 2HD2 LEU 2 -3.675 -16.938 1.010 16 H THR 3 H THR 3 2.018 -19.076 -0.322 17 HA THR 3 HA THR 3 3.926 -19.228 -1.453 18 HB THR 3 HB THR 3 2.003 -19.050 -3.829 19 HG1 THR 3 1HG THR 3 3.401 -21.096 -2.259 20 HG21 THR 3 3HG2 THR 3 4.239 -18.612 -4.714 21 HG22 THR 3 1HG2 THR 3 4.952 -19.847 -3.651 22 HG23 THR 3 2HG2 THR 3 3.890 -20.335 -4.992 23 H THR 4 H THR 4 5.614 -17.979 -2.434 24 HA THR 4 HA THR 4 5.011 -15.132 -2.263 25 HB THR 4 HB THR 4 7.496 -14.962 -2.150 26 HG1 THR 4 1HG THR 4 8.598 -16.708 -2.961 27 HG21 THR 4 3HG2 THR 4 5.985 -16.845 -0.379 28 HG22 THR 4 1HG2 THR 4 7.756 -17.028 -0.350 29 HG23 THR 4 2HG2 THR 4 7.015 -15.462 0.061 30 H ILE 5 H ILE 5 6.904 -14.004 -3.908 31 HA ILE 5 HA ILE 5 6.981 -15.051 -6.486 32 HB ILE 5 HB ILE 5 4.838 -14.822 -7.061 33 HG13 ILE 5 2HG1 ILE 5 6.189 -12.997 -8.253 34 HG21 ILE 5 1HG2 ILE 5 3.752 -14.462 -5.067 35 HG22 ILE 5 2HG2 ILE 5 4.651 -12.966 -4.715 36 HG23 ILE 5 3HG2 ILE 5 3.362 -12.963 -5.944 37 HD11 ILE 5 3HD1 ILE 5 3.168 -13.020 -7.955 38 HD12 ILE 5 1HD1 ILE 5 3.972 -11.880 -9.062 39 HD13 ILE 5 2HD1 ILE 5 4.159 -13.634 -9.300 40 H SER 6 H SER 6 8.153 -13.647 -7.921 41 HA SER 6 HA SER 6 9.788 -11.856 -6.495 42 HB3 SER 6 2HB SER 6 11.161 -12.348 -8.215 43 HG SER 6 HG SER 6 9.130 -13.325 -9.954 44 HA PRO 7 HA PRO 7 7.717 -8.123 -7.340 45 HB3 PRO 7 2HB PRO 7 9.113 -6.920 -5.958 46 HG3 PRO 7 2HG PRO 7 11.193 -7.861 -5.634 47 HD3 PRO 7 2HD PRO 7 10.718 -10.066 -6.077 48 H HIS 8 H HIS 8 9.662 -9.532 -9.630 49 HA HIS 8 HA HIS 8 9.297 -7.462 -11.580 50 HB3 HIS 8 2HB HIS 8 10.520 -10.218 -11.600 51 HD1 HIS 8 1HD HIS 8 10.307 -11.443 -13.758 52 HD2 HIS 8 2HD HIS 8 10.381 -7.285 -14.314 53 HE1 HIS 8 1HE HIS 8 10.222 -11.057 -16.279 54 H ASP 9 H ASP 9 7.947 -10.727 -10.834 55 HA ASP 9 HA ASP 9 6.203 -10.599 -13.068 56 HB3 ASP 9 2HB ASP 9 5.198 -12.523 -11.275 57 HD2 ASP 9 HD ASP 9 5.294 -13.389 -14.401 58 H ALA 10 H ALA 10 6.207 -9.729 -9.624 59 HA ALA 10 HA ALA 10 3.389 -9.631 -9.303 60 HB1 ALA 10 1HB ALA 10 5.841 -8.835 -7.780 61 HB2 ALA 10 2HB ALA 10 4.308 -8.047 -7.334 62 HB3 ALA 10 3HB ALA 10 4.448 -9.821 -7.270 63 H GLN 11 H GLN 11 5.974 -7.263 -10.158 64 HA GLN 11 HA GLN 11 4.443 -5.003 -10.044 65 HB3 GLN 11 2HB GLN 11 6.783 -5.752 -11.840 66 HG3 GLN 11 2HG GLN 11 5.550 -2.999 -11.345 67 HE21 GLN 11 1HE2 GLN 11 6.559 -1.333 -12.591 68 HE22 GLN 11 2HE2 GLN 11 8.256 -1.376 -12.932 69 H GLU 12 H GLU 12 4.166 -7.717 -12.169 70 HA GLU 12 HA GLU 12 2.950 -6.172 -14.265 71 HB3 GLU 12 2HB GLU 12 2.649 -9.090 -14.455 72 HG3 GLU 12 2HG GLU 12 4.574 -7.829 -16.259 73 HE2 GLU 12 HE GLU 12 4.423 -9.500 -17.547 74 H LEU 13 H LEU 13 1.922 -9.102 -12.357 75 HA LEU 13 HA LEU 13 -0.715 -9.056 -12.917 76 HB3 LEU 13 2HB LEU 13 0.106 -10.855 -11.707 77 HG LEU 13 HG LEU 13 1.798 -9.177 -10.352 78 HD11 LEU 13 1HD1 LEU 13 0.016 -8.427 -8.846 79 HD12 LEU 13 2HD1 LEU 13 -0.275 -10.112 -8.349 80 HD13 LEU 13 3HD1 LEU 13 1.279 -9.328 -7.974 81 HD21 LEU 13 3HD2 LEU 13 2.663 -11.248 -10.484 82 HD22 LEU 13 1HD2 LEU 13 1.985 -11.429 -8.849 83 HD23 LEU 13 2HD2 LEU 13 1.085 -12.041 -10.258 84 H ILE 14 H ILE 14 0.972 -7.124 -10.363 85 HA ILE 14 HA ILE 14 -1.263 -5.935 -9.281 86 HB ILE 14 HB ILE 14 1.553 -5.697 -9.127 87 HG13 ILE 14 2HG1 ILE 14 -0.580 -5.838 -7.429 88 HG21 ILE 14 1HG2 ILE 14 1.311 -3.660 -10.507 89 HG22 ILE 14 2HG2 ILE 14 0.201 -2.990 -9.286 90 HG23 ILE 14 3HG2 ILE 14 1.898 -3.319 -8.862 91 HD11 ILE 14 3HD1 ILE 14 2.266 -4.903 -6.837 92 HD12 ILE 14 1HD1 ILE 14 1.122 -5.510 -5.616 93 HD13 ILE 14 2HD1 ILE 14 1.702 -6.590 -6.907 94 H ALA 15 H ALA 15 0.516 -5.232 -12.300 95 HA ALA 15 HA ALA 15 -1.019 -2.830 -12.749 96 HB1 ALA 15 1HB ALA 15 1.190 -2.683 -13.532 97 HB2 ALA 15 2HB ALA 15 1.172 -4.338 -14.186 98 HB3 ALA 15 3HB ALA 15 0.267 -3.045 -15.010 99 H ARG 16 H ARG 16 -1.971 -5.911 -12.632 100 HA ARG 16 HA ARG 16 -3.475 -5.708 -15.115 101 HB3 ARG 16 2HB ARG 16 -3.797 -8.212 -14.867 102 HG3 ARG 16 2HG ARG 16 -0.843 -7.477 -14.720 103 HD3 ARG 16 2HD ARG 16 -2.203 -9.900 -15.256 104 HE ARG 16 HE ARG 16 -1.830 -8.432 -17.746 105 HH11 ARG 16 2HH2 ARG 16 -1.720 -11.669 -16.307 106 HH12 ARG 16 1HH2 ARG 16 -2.012 -12.482 -17.810 107 HH22 ARG 16 1HH ARG 16 -2.300 -11.189 -19.806 108 H GLY 17 H GLY 17 -3.562 -6.429 -11.588 109 HA2 GLY 17 1HA GLY 17 -5.950 -5.241 -11.018 110 HA3 GLY 17 2HA GLY 17 -6.401 -6.861 -11.512 111 H ALA 18 H ALA 18 -3.758 -8.020 -10.560 112 HA ALA 18 HA ALA 18 -4.446 -9.061 -8.200 113 HB1 ALA 18 1HB ALA 18 -1.939 -8.540 -9.651 114 HB2 ALA 18 2HB ALA 18 -1.711 -8.697 -7.892 115 HB3 ALA 18 3HB ALA 18 -2.487 -10.010 -8.810 116 H LYS 19 H LYS 19 -5.294 -8.073 -6.432 117 HA LYS 19 HA LYS 19 -4.457 -5.406 -5.760 118 HB3 LYS 19 2HB LYS 19 -6.147 -6.747 -3.805 119 HG3 LYS 19 2HG LYS 19 -5.960 -4.271 -4.173 120 HD3 LYS 19 2HD LYS 19 -7.762 -4.059 -6.418 121 HE3 LYS 19 2HE LYS 19 -4.918 -3.300 -6.817 122 HZ1 LYS 19 2HZ LYS 19 -6.571 -1.114 -6.631 123 HZ3 LYS 19 1HZ LYS 19 -7.539 -2.256 -7.269 124 H LEU 20 H LEU 20 -3.523 -4.788 -3.694 125 HA LEU 20 HA LEU 20 -2.208 -6.982 -2.284 126 HB3 LEU 20 2HB LEU 20 -0.896 -4.705 -3.711 127 HG LEU 20 HG LEU 20 -0.111 -4.515 -1.354 128 HD11 LEU 20 1HD1 LEU 20 -0.383 -7.190 -1.180 129 HD12 LEU 20 2HD1 LEU 20 1.364 -7.081 -1.500 130 HD13 LEU 20 3HD1 LEU 20 0.660 -6.229 -0.105 131 HD21 LEU 20 3HD2 LEU 20 1.906 -5.539 -3.371 132 HD22 LEU 20 1HD2 LEU 20 1.354 -3.859 -3.163 133 HD23 LEU 20 2HD2 LEU 20 2.301 -4.651 -1.880 134 H ILE 21 H ILE 21 -1.963 -6.635 -0.062 135 HA ILE 21 HA ILE 21 -3.273 -4.184 0.885 136 HB ILE 21 HB ILE 21 -2.972 -6.625 2.575 137 HG13 ILE 21 2HG1 ILE 21 -5.102 -7.518 1.685 138 HG21 ILE 21 1HG2 ILE 21 -3.863 -4.768 3.714 139 HG22 ILE 21 2HG2 ILE 21 -4.930 -4.336 2.357 140 HG23 ILE 21 3HG2 ILE 21 -5.262 -5.795 3.322 141 HD11 ILE 21 3HD1 ILE 21 -4.880 -5.087 0.008 142 HD12 ILE 21 1HD1 ILE 21 -5.214 -6.573 -0.915 143 HD13 ILE 21 2HD1 ILE 21 -6.310 -6.074 0.396 144 H ASP 22 H ASP 22 -2.433 -3.313 2.989 145 HA ASP 22 HA ASP 22 0.454 -3.700 3.037 146 HB3 ASP 22 2HB ASP 22 0.669 -1.414 3.757 147 HD2 ASP 22 HD ASP 22 0.113 0.617 1.919 148 H ILE 23 H ILE 23 -0.195 -5.625 4.510 149 HA ILE 23 HA ILE 23 -1.333 -4.946 7.055 150 HB ILE 23 HB ILE 23 -1.210 -7.257 7.527 151 HG13 ILE 23 2HG1 ILE 23 1.148 -7.190 5.895 152 HG21 ILE 23 1HG2 ILE 23 -3.019 -6.955 6.126 153 HG22 ILE 23 2HG2 ILE 23 -2.006 -6.551 4.720 154 HG23 ILE 23 3HG2 ILE 23 -2.115 -8.235 5.284 155 HD11 ILE 23 3HD1 ILE 23 -0.190 -8.937 7.923 156 HD12 ILE 23 1HD1 ILE 23 1.015 -9.722 6.875 157 HD13 ILE 23 2HD1 ILE 23 1.480 -8.325 7.873 158 H ARG 24 H ARG 24 0.513 -3.167 7.122 159 HA ARG 24 HA ARG 24 2.689 -4.423 8.591 160 HB3 ARG 24 2HB ARG 24 4.123 -3.516 7.070 161 HG3 ARG 24 2HG ARG 24 1.666 -2.025 6.055 162 HD3 ARG 24 2HD ARG 24 3.958 -2.189 4.219 163 HE ARG 24 HE ARG 24 1.880 -0.252 4.953 164 HH11 ARG 24 2HH2 ARG 24 4.875 -0.736 3.121 165 HH12 ARG 24 1HH2 ARG 24 4.573 0.584 2.041 166 HH22 ARG 24 1HH ARG 24 2.573 1.879 2.299 167 H ASP 25 H ASP 25 1.730 -0.980 7.936 168 HA ASP 25 HA ASP 25 0.653 -0.701 10.545 169 HB3 ASP 25 2HB ASP 25 2.697 1.353 10.336 170 HD2 ASP 25 HD ASP 25 1.794 0.707 13.692 171 H ALA 26 H ALA 26 0.717 2.097 10.796 172 HA ALA 26 HA ALA 26 -0.686 2.902 8.370 173 HB1 ALA 26 1HB ALA 26 -0.507 4.461 10.958 174 HB2 ALA 26 2HB ALA 26 -1.799 4.465 9.733 175 HB3 ALA 26 3HB ALA 26 -1.594 3.059 10.806 176 H ASP 27 H ASP 27 1.805 4.173 10.697 177 HA ASP 27 HA ASP 27 2.501 6.409 9.438 178 HB3 ASP 27 2HB ASP 27 4.906 5.863 10.239 179 HD2 ASP 27 HD ASP 27 4.913 7.271 12.164 180 H GLU 28 H GLU 28 3.319 3.023 8.564 181 HA GLU 28 HA GLU 28 5.334 3.475 6.782 182 HB3 GLU 28 2HB GLU 28 4.775 1.286 5.845 183 HG3 GLU 28 2HG GLU 28 4.862 -0.018 7.827 184 HE2 GLU 28 HE GLU 28 6.100 3.004 9.900 185 H TYR 29 H TYR 29 1.838 2.925 5.906 186 HA TYR 29 HA TYR 29 1.916 3.497 3.284 187 HB3 TYR 29 2HB TYR 29 -0.064 4.545 5.403 188 HD1 TYR 29 2HD TYR 29 -0.542 2.471 2.342 189 HD2 TYR 29 1HD TYR 29 -1.257 6.233 4.250 190 HE1 TYR 29 2HE TYR 29 -2.129 3.129 0.468 191 HE2 TYR 29 1HE TYR 29 -2.841 6.878 2.369 192 HH TYR 29 HH TYR 29 -3.194 4.834 -0.471 193 H LEU 30 H LEU 30 2.103 5.850 5.983 194 HA LEU 30 HA LEU 30 1.696 8.140 4.416 195 HB3 LEU 30 2HB LEU 30 3.346 8.005 6.928 196 HG LEU 30 HG LEU 30 1.511 10.077 5.726 197 HD11 LEU 30 1HD1 LEU 30 2.449 10.888 8.308 198 HD12 LEU 30 2HD1 LEU 30 0.780 10.752 7.706 199 HD13 LEU 30 3HD1 LEU 30 1.571 9.348 8.462 200 HD21 LEU 30 3HD2 LEU 30 3.800 11.235 6.871 201 HD22 LEU 30 1HD2 LEU 30 4.365 9.770 6.032 202 HD23 LEU 30 2HD2 LEU 30 3.440 11.006 5.143 203 H ARG 31 H ARG 31 4.842 7.304 5.995 204 HA ARG 31 HA ARG 31 6.391 8.809 4.443 205 HB3 ARG 31 2HB ARG 31 8.167 6.871 4.841 206 HG3 ARG 31 2HG ARG 31 7.187 7.528 7.514 207 HD3 ARG 31 2HD ARG 31 9.438 8.921 6.028 208 HE ARG 31 HE ARG 31 8.679 8.922 8.700 209 HH11 ARG 31 2HH2 ARG 31 11.570 7.842 6.961 210 HH12 ARG 31 1HH2 ARG 31 12.634 8.133 8.297 211 HH22 ARG 31 1HH ARG 31 11.737 8.994 10.345 212 H GLU 32 H GLU 32 6.292 5.208 3.919 213 HA GLU 32 HA GLU 32 6.611 5.780 1.080 214 HB3 GLU 32 2HB GLU 32 7.456 3.354 1.010 215 HG3 GLU 32 2HG GLU 32 8.759 5.773 1.831 216 HE2 GLU 32 HE GLU 32 10.444 5.358 4.567 217 H HIS 33 H HIS 33 5.701 3.787 -0.318 218 HA HIS 33 HA HIS 33 3.113 3.035 0.823 219 HB3 HIS 33 2HB HIS 33 3.578 3.999 -2.014 220 HD1 HIS 33 1HD HIS 33 1.445 1.865 0.014 221 HD2 HIS 33 2HD HIS 33 0.849 4.624 -3.089 222 HE1 HIS 33 1HE HIS 33 -0.871 1.379 -0.941 223 H ILE 34 H ILE 34 3.324 2.150 -2.429 224 HA ILE 34 HA ILE 34 5.103 0.082 -2.528 225 HB ILE 34 HB ILE 34 3.191 -0.509 -0.598 226 HG13 ILE 34 2HG1 ILE 34 5.146 -1.614 -0.280 227 HG21 ILE 34 1HG2 ILE 34 1.744 -2.142 -1.378 228 HG22 ILE 34 2HG2 ILE 34 1.701 -0.930 -2.681 229 HG23 ILE 34 3HG2 ILE 34 2.675 -2.408 -2.871 230 HD11 ILE 34 3HD1 ILE 34 4.108 -3.819 -2.054 231 HD12 ILE 34 1HD1 ILE 34 4.794 -3.915 -0.414 232 HD13 ILE 34 2HD1 ILE 34 3.131 -3.326 -0.650 233 HA PRO 35 HA PRO 35 3.300 -0.162 -6.445 234 HB3 PRO 35 2HB PRO 35 4.968 -1.515 -7.276 235 HG3 PRO 35 2HG PRO 35 6.037 -2.811 -5.694 236 HD3 PRO 35 2HD PRO 35 5.635 -1.561 -3.806 237 H GLU 36 H GLU 36 1.170 0.391 -5.656 238 HA GLU 36 HA GLU 36 -0.980 0.078 -5.839 239 HB3 GLU 36 2HB GLU 36 -1.332 -2.668 -6.624 240 HG3 GLU 36 2HG GLU 36 -1.282 -0.623 -8.763 241 HE2 GLU 36 HE GLU 36 -3.489 -3.685 -8.664 242 H ALA 37 H ALA 37 -1.587 0.188 -3.688 243 HA ALA 37 HA ALA 37 -2.421 -2.195 -2.429 244 HB1 ALA 37 1HB ALA 37 -0.867 -1.970 -0.437 245 HB2 ALA 37 2HB ALA 37 -0.096 -2.565 -1.928 246 HB3 ALA 37 3HB ALA 37 0.126 -0.872 -1.425 247 H ASP 38 H ASP 38 -3.193 -1.620 -0.083 248 HA ASP 38 HA ASP 38 -3.822 1.208 0.047 249 HB3 ASP 38 2HB ASP 38 -6.025 -0.540 0.951 250 HD2 ASP 38 HD ASP 38 -7.700 2.380 0.446 251 H LEU 39 H LEU 39 -3.365 1.928 2.140 252 HA LEU 39 HA LEU 39 -2.190 0.533 4.070 253 HB3 LEU 39 2HB LEU 39 -4.259 2.639 4.680 254 HG LEU 39 HG LEU 39 -1.655 1.836 5.973 255 HD11 LEU 39 1HD1 LEU 39 -2.921 4.327 6.931 256 HD12 LEU 39 2HD1 LEU 39 -1.203 3.887 6.777 257 HD13 LEU 39 3HD1 LEU 39 -2.113 4.435 5.349 258 HD21 LEU 39 3HD2 LEU 39 -3.979 0.954 6.678 259 HD22 LEU 39 1HD2 LEU 39 -2.880 1.576 7.933 260 HD23 LEU 39 2HD2 LEU 39 -4.226 2.584 7.347 261 H ALA 40 H ALA 40 -2.636 -1.032 5.560 262 HA ALA 40 HA ALA 40 -5.096 -1.456 6.744 263 HB1 ALA 40 1HB ALA 40 -6.088 -2.108 4.698 264 HB2 ALA 40 2HB ALA 40 -4.638 -2.998 4.176 265 HB3 ALA 40 3HB ALA 40 -5.656 -3.646 5.484 266 HA PRO 41 HA PRO 41 -1.497 -3.624 8.379 267 HB3 PRO 41 2HB PRO 41 -0.571 -1.883 9.568 268 HG3 PRO 41 2HG PRO 41 -1.899 -0.002 9.713 269 HD3 PRO 41 2HD PRO 41 -3.214 -0.286 7.849 270 H LEU 42 H LEU 42 -1.272 -5.399 9.823 271 HA LEU 42 HA LEU 42 -3.420 -7.005 9.964 272 HB3 LEU 42 2HB LEU 42 -1.617 -7.089 12.314 273 HG LEU 42 HG LEU 42 -2.828 -9.094 11.930 274 HD11 LEU 42 1HD1 LEU 42 -2.364 -10.255 9.580 275 HD12 LEU 42 2HD1 LEU 42 -3.725 -9.137 9.841 276 HD13 LEU 42 3HD1 LEU 42 -2.234 -8.557 9.060 277 HD21 LEU 42 3HD2 LEU 42 0.025 -9.307 10.950 278 HD22 LEU 42 1HD2 LEU 42 -0.602 -9.568 12.596 279 HD23 LEU 42 2HD2 LEU 42 -1.000 -10.720 11.298 280 H SER 43 H SER 43 -2.365 -4.730 12.592 281 HA SER 43 HA SER 43 -4.166 -5.205 14.451 282 HB3 SER 43 2HB SER 43 -4.212 -2.637 14.822 283 HG SER 43 HG SER 43 -2.103 -4.429 14.939 284 H VAL 44 H VAL 44 -4.807 -3.845 11.238 285 HA VAL 44 HA VAL 44 -7.516 -3.116 11.965 286 HB VAL 44 HB VAL 44 -6.007 -2.988 9.346 287 HG11 VAL 44 1HG1 VAL 44 -8.471 -1.378 9.935 288 HG12 VAL 44 2HG1 VAL 44 -7.802 -1.911 8.375 289 HG13 VAL 44 3HG1 VAL 44 -8.643 -3.075 9.428 290 HG21 VAL 44 3HG2 VAL 44 -6.086 -0.476 9.894 291 HG22 VAL 44 1HG2 VAL 44 -6.452 -0.980 11.561 292 HG23 VAL 44 2HG2 VAL 44 -4.926 -1.482 10.795 293 H LEU 45 H LEU 45 -5.780 -5.414 9.759 294 HA LEU 45 HA LEU 45 -7.886 -6.675 8.635 295 HB3 LEU 45 2HB LEU 45 -6.381 -8.739 8.730 296 HG LEU 45 HG LEU 45 -4.405 -7.411 7.532 297 HD11 LEU 45 1HD1 LEU 45 -5.356 -8.621 5.929 298 HD12 LEU 45 2HD1 LEU 45 -6.956 -8.520 6.703 299 HD13 LEU 45 3HD1 LEU 45 -6.414 -7.225 5.608 300 HD21 LEU 45 3HD2 LEU 45 -6.653 -5.407 7.718 301 HD22 LEU 45 1HD2 LEU 45 -4.922 -5.188 8.072 302 HD23 LEU 45 2HD2 LEU 45 -5.468 -5.385 6.390 303 H GLU 46 H GLU 46 -6.528 -7.237 11.934 304 HA GLU 46 HA GLU 46 -8.320 -9.321 12.489 305 HB3 GLU 46 2HB GLU 46 -7.562 -8.315 14.964 306 HG3 GLU 46 2HG GLU 46 -5.379 -9.845 13.811 307 HE2 GLU 46 HE GLU 46 -5.760 -11.163 16.932 308 H GLN 47 H GLN 47 -8.416 -5.773 12.796 309 HA GLN 47 HA GLN 47 -10.662 -5.776 14.509 310 HB3 GLN 47 2HB GLN 47 -10.111 -3.384 12.802 311 HG3 GLN 47 2HG GLN 47 -9.849 -3.289 15.758 312 HE21 GLN 47 1HE2 GLN 47 -12.593 -2.135 15.773 313 HE22 GLN 47 2HE2 GLN 47 -12.469 -0.573 15.035 314 H SER 48 H SER 48 -10.101 -5.718 10.981 315 HA SER 48 HA SER 48 -12.988 -5.936 10.673 316 HB3 SER 48 2HB SER 48 -11.133 -4.401 8.799 317 HG SER 48 HG SER 48 -12.955 -5.136 7.660 318 H GLY 49 H GLY 49 -9.868 -6.156 8.794 319 HA2 GLY 49 1HA GLY 49 -9.000 -8.221 8.049 320 HA3 GLY 49 2HA GLY 49 -10.615 -8.901 8.035 321 H LEU 50 H LEU 50 -9.389 -9.409 5.761 322 HA LEU 50 HA LEU 50 -9.012 -7.665 3.786 323 HB3 LEU 50 2HB LEU 50 -10.114 -10.415 3.919 324 HG LEU 50 HG LEU 50 -10.053 -10.580 1.424 325 HD11 LEU 50 1HD1 LEU 50 -12.159 -10.065 3.086 326 HD12 LEU 50 2HD1 LEU 50 -12.348 -8.790 1.859 327 HD13 LEU 50 3HD1 LEU 50 -12.292 -10.499 1.364 328 HD21 LEU 50 3HD2 LEU 50 -10.307 -7.562 1.508 329 HD22 LEU 50 1HD2 LEU 50 -8.872 -8.470 0.978 330 HD23 LEU 50 2HD2 LEU 50 -10.394 -8.597 0.063 331 HA PRO 51 HA PRO 51 -12.822 -5.531 3.581 332 HB3 PRO 51 2HB PRO 51 -11.792 -3.473 3.656 333 HG3 PRO 51 2HG PRO 51 -9.522 -3.516 3.246 334 HD3 PRO 51 2HD PRO 51 -9.043 -5.686 3.833 335 H ALA 52 H ALA 52 -14.356 -4.666 1.847 336 HA ALA 52 HA ALA 52 -14.509 -6.800 -0.086 337 HB1 ALA 52 1HB ALA 52 -16.486 -4.690 -0.377 338 HB2 ALA 52 2HB ALA 52 -16.711 -6.389 0.105 339 HB3 ALA 52 3HB ALA 52 -16.319 -5.160 1.331 340 H LYS 53 H LYS 53 -12.748 -3.982 0.108 341 HA LYS 53 HA LYS 53 -13.211 -3.188 -2.652 342 HB3 LYS 53 2HB LYS 53 -13.022 -1.523 -0.761 343 HG3 LYS 53 2HG LYS 53 -10.231 -2.688 -0.765 344 HD3 LYS 53 2HD LYS 53 -10.000 -0.319 0.669 345 HE3 LYS 53 2HE LYS 53 -9.075 -1.302 -2.013 346 HZ1 LYS 53 2HZ LYS 53 -8.010 0.789 -2.474 347 HZ3 LYS 53 1HZ LYS 53 -8.572 1.482 -1.111 348 H LEU 54 H LEU 54 -10.919 -4.926 -0.567 349 HA LEU 54 HA LEU 54 -9.202 -5.294 -2.921 350 HB3 LEU 54 2HB LEU 54 -7.443 -5.881 -1.267 351 HG LEU 54 HG LEU 54 -8.516 -3.206 -1.667 352 HD11 LEU 54 1HD1 LEU 54 -6.941 -2.401 0.337 353 HD12 LEU 54 2HD1 LEU 54 -8.690 -2.667 0.529 354 HD13 LEU 54 3HD1 LEU 54 -7.536 -3.920 1.051 355 HD21 LEU 54 3HD2 LEU 54 -6.528 -2.965 -2.627 356 HD22 LEU 54 1HD2 LEU 54 -5.680 -3.357 -1.112 357 HD23 LEU 54 2HD2 LEU 54 -6.186 -4.662 -2.213 358 H ARG 55 H ARG 55 -11.664 -6.695 -2.708 359 HA ARG 55 HA ARG 55 -10.879 -9.275 -1.679 360 HB3 ARG 55 2HB ARG 55 -13.147 -8.389 -1.118 361 HG3 ARG 55 2HG ARG 55 -13.281 -8.160 -4.109 362 HD3 ARG 55 2HD ARG 55 -15.934 -8.309 -2.782 363 HE ARG 55 HE ARG 55 -15.255 -9.784 -5.246 364 HH11 ARG 55 2HH2 ARG 55 -16.338 -6.712 -3.853 365 HH12 ARG 55 1HH2 ARG 55 -17.023 -6.137 -5.336 366 HH22 ARG 55 1HH ARG 55 -16.906 -7.515 -7.293 367 H HIS 56 H HIS 56 -10.123 -7.688 -4.370 368 HA HIS 56 HA HIS 56 -11.082 -8.790 -6.586 369 HB3 HIS 56 2HB HIS 56 -8.158 -8.336 -5.927 370 HD1 HIS 56 1HD HIS 56 -6.892 -9.670 -7.655 371 HD2 HIS 56 2HD HIS 56 -10.221 -7.692 -9.268 372 HE1 HIS 56 1HE HIS 56 -6.761 -9.994 -10.182 373 H GLU 57 H GLU 57 -10.743 -10.675 -7.888 374 HA GLU 57 HA GLU 57 -10.955 -13.025 -6.719 375 HB3 GLU 57 2HB GLU 57 -9.258 -13.395 -9.052 376 HG3 GLU 57 2HG GLU 57 -12.271 -13.594 -8.584 377 HE2 GLU 57 HE GLU 57 -10.471 -15.794 -11.089 378 H GLN 58 H GLN 58 -7.818 -11.433 -7.561 379 HA GLN 58 HA GLN 58 -6.578 -13.290 -5.689 380 HB3 GLN 58 2HB GLN 58 -4.495 -12.809 -7.357 381 HG3 GLN 58 2HG GLN 58 -6.609 -14.925 -7.231 382 HE21 GLN 58 1HE2 GLN 58 -5.181 -16.955 -8.397 383 HE22 GLN 58 2HE2 GLN 58 -5.179 -16.792 -10.121 384 H ILE 59 H ILE 59 -5.449 -12.280 -4.069 385 HA ILE 59 HA ILE 59 -4.740 -9.467 -4.542 386 HB ILE 59 HB ILE 59 -5.518 -8.837 -2.501 387 HG13 ILE 59 2HG1 ILE 59 -4.172 -10.821 -1.420 388 HG21 ILE 59 1HG2 ILE 59 -7.289 -10.090 -4.078 389 HG22 ILE 59 2HG2 ILE 59 -7.472 -11.072 -2.604 390 HG23 ILE 59 3HG2 ILE 59 -7.731 -9.312 -2.540 391 HD11 ILE 59 3HD1 ILE 59 -6.171 -10.442 0.535 392 HD12 ILE 59 1HD1 ILE 59 -4.693 -9.472 0.326 393 HD13 ILE 59 2HD1 ILE 59 -6.211 -8.960 -0.451 394 H ILE 60 H ILE 60 -3.143 -8.945 -2.396 395 HA ILE 60 HA ILE 60 -1.228 -11.109 -2.168 396 HB ILE 60 HB ILE 60 -0.525 -8.443 -3.403 397 HG13 ILE 60 2HG1 ILE 60 -1.653 -10.040 -4.934 398 HG21 ILE 60 1HG2 ILE 60 1.756 -9.553 -3.628 399 HG22 ILE 60 2HG2 ILE 60 1.286 -8.997 -2.004 400 HG23 ILE 60 3HG2 ILE 60 1.187 -10.726 -2.416 401 HD11 ILE 60 3HD1 ILE 60 0.909 -10.321 -6.167 402 HD12 ILE 60 1HD1 ILE 60 -0.318 -9.071 -6.481 403 HD13 ILE 60 2HD1 ILE 60 0.941 -8.795 -5.254 404 H PHE 61 H PHE 61 0.588 -10.413 -0.595 405 HA PHE 61 HA PHE 61 -0.446 -8.422 1.284 406 HB3 PHE 61 2HB PHE 61 0.692 -10.350 2.904 407 HD1 PHE 61 1HD PHE 61 -2.362 -10.816 0.796 408 HD2 PHE 61 2HD PHE 61 -0.765 -10.118 4.665 409 HE1 PHE 61 1HE PHE 61 -4.678 -10.875 1.763 410 HE2 PHE 61 2HE PHE 61 -3.081 -10.178 5.632 411 HZ PHE 61 HZ PHE 61 -5.010 -10.555 4.169 412 H HIS 62 H HIS 62 1.205 -7.508 2.718 413 HA HIS 62 HA HIS 62 3.918 -8.240 2.344 414 HB3 HIS 62 2HB HIS 62 2.988 -6.650 0.327 415 HD1 HIS 62 1HD HIS 62 1.632 -4.522 1.151 416 HD2 HIS 62 2HD HIS 62 5.726 -4.500 2.069 417 HE1 HIS 62 1HE HIS 62 2.202 -2.125 1.815 418 H CYS 63 H CYS 63 5.377 -6.772 3.675 419 HA CYS 63 HA CYS 63 3.877 -5.222 5.625 420 HB3 CYS 63 2HB CYS 63 4.179 -7.626 6.451 421 HG CYS 63 HG CYS 63 6.825 -7.372 5.280 422 H GLN 64 H GLN 64 5.958 -4.493 7.305 423 HA GLN 64 HA GLN 64 7.227 -2.540 6.032 424 HB3 GLN 64 2HB GLN 64 7.536 -2.406 8.312 425 HG3 GLN 64 2HG GLN 64 8.702 -4.725 9.327 426 HE21 GLN 64 1HE2 GLN 64 5.944 -6.128 9.164 427 HE22 GLN 64 2HE2 GLN 64 4.962 -5.271 10.305 428 H ALA 65 H ALA 65 9.442 -5.128 7.166 429 HA ALA 65 HA ALA 65 10.234 -5.934 4.571 430 HB1 ALA 65 1HB ALA 65 11.234 -3.452 5.275 431 HB2 ALA 65 2HB ALA 65 12.533 -4.552 5.796 432 HB3 ALA 65 3HB ALA 65 11.978 -4.568 4.104 433 H GLY 66 H GLY 66 9.510 -7.766 6.100 434 HA2 GLY 66 1HA GLY 66 11.845 -9.130 7.000 435 HA3 GLY 66 2HA GLY 66 10.894 -8.544 8.351 436 H LYS 67 H LYS 67 9.606 -9.547 5.139 437 HA LYS 67 HA LYS 67 8.207 -11.144 4.541 438 HB3 LYS 67 2HB LYS 67 8.384 -13.281 6.224 439 HG3 LYS 67 2HG LYS 67 10.584 -12.581 4.239 440 HD3 LYS 67 2HD LYS 67 9.453 -15.177 3.869 441 HE3 LYS 67 2HE LYS 67 12.011 -14.656 5.413 442 HZ1 LYS 67 2HZ LYS 67 12.258 -16.344 3.206 443 HZ3 LYS 67 1HZ LYS 67 10.889 -16.800 3.963 444 H ARG 68 H ARG 68 7.802 -12.371 7.828 445 HA ARG 68 HA ARG 68 6.105 -12.398 9.164 446 HB3 ARG 68 2HB ARG 68 5.195 -10.313 9.907 447 HG3 ARG 68 2HG ARG 68 7.061 -8.696 9.785 448 HD3 ARG 68 2HD ARG 68 8.862 -10.115 10.615 449 HE ARG 68 HE ARG 68 6.554 -11.755 11.441 450 HH11 ARG 68 2HH2 ARG 68 8.327 -8.724 11.910 451 HH12 ARG 68 1HH2 ARG 68 7.672 -8.440 13.488 452 HH22 ARG 68 1HH ARG 68 6.122 -10.016 14.416 453 H THR 69 H THR 69 5.746 -12.900 6.120 454 HA THR 69 HA THR 69 2.824 -12.539 6.014 455 HB THR 69 HB THR 69 3.523 -13.072 3.451 456 HG1 THR 69 1HG THR 69 5.770 -11.596 4.584 457 HG21 THR 69 3HG2 THR 69 3.668 -10.482 5.022 458 HG22 THR 69 1HG2 THR 69 4.217 -10.496 3.329 459 HG23 THR 69 2HG2 THR 69 2.539 -10.941 3.726 460 H SER 70 H SER 70 5.005 -14.796 4.252 461 HA SER 70 HA SER 70 3.285 -16.858 4.241 462 HB3 SER 70 2HB SER 70 5.906 -17.979 4.585 463 HG SER 70 HG SER 70 4.593 -18.760 2.943 464 H ASN 71 H ASN 71 5.518 -15.840 6.855 465 HA ASN 71 HA ASN 71 5.533 -18.047 8.403 466 HB3 ASN 71 2HB ASN 71 5.283 -16.008 10.287 467 HD21 ASN 71 1HD2 ASN 71 7.657 -15.751 7.696 468 HD22 ASN 71 2HD2 ASN 71 8.994 -16.473 8.527 469 H ASN 72 H ASN 72 2.887 -15.842 7.643 470 HA ASN 72 HA ASN 72 1.175 -17.421 9.363 471 HB3 ASN 72 2HB ASN 72 0.220 -15.578 10.462 472 HD21 ASN 72 1HD2 ASN 72 2.493 -16.689 11.168 473 HD22 ASN 72 2HD2 ASN 72 3.690 -15.541 11.667 474 H ALA 73 H ALA 73 1.616 -17.667 6.543 475 HA ALA 73 HA ALA 73 -0.323 -16.095 5.135 476 HB1 ALA 73 1HB ALA 73 1.321 -16.645 3.657 477 HB2 ALA 73 2HB ALA 73 1.767 -18.122 4.544 478 HB3 ALA 73 3HB ALA 73 0.365 -18.133 3.449 479 H ASP 74 H ASP 74 -0.520 -18.662 7.318 480 HA ASP 74 HA ASP 74 -2.430 -20.231 5.982 481 HB3 ASP 74 2HB ASP 74 -2.904 -20.936 8.490 482 HD2 ASP 74 HD ASP 74 0.766 -22.044 7.359 483 H LYS 75 H LYS 75 -2.530 -17.746 8.646 484 HA LYS 75 HA LYS 75 -5.394 -17.716 8.655 485 HB3 LYS 75 2HB LYS 75 -4.353 -15.476 10.044 486 HG3 LYS 75 2HG LYS 75 -5.065 -16.776 12.021 487 HD3 LYS 75 2HD LYS 75 -6.718 -16.572 9.566 488 HE3 LYS 75 2HE LYS 75 -7.949 -18.159 11.817 489 HZ1 LYS 75 2HZ LYS 75 -9.588 -18.312 10.297 490 HZ3 LYS 75 1HZ LYS 75 -8.591 -18.780 9.098 491 H LEU 76 H LEU 76 -2.783 -15.358 7.740 492 HA LEU 76 HA LEU 76 -4.322 -13.338 6.819 493 HB3 LEU 76 2HB LEU 76 -2.422 -12.968 5.164 494 HG LEU 76 HG LEU 76 -1.527 -13.464 8.015 495 HD11 LEU 76 1HD1 LEU 76 -0.056 -11.407 7.331 496 HD12 LEU 76 2HD1 LEU 76 0.424 -13.057 6.866 497 HD13 LEU 76 3HD1 LEU 76 -0.364 -11.991 5.678 498 HD21 LEU 76 3HD2 LEU 76 -3.456 -11.575 6.976 499 HD22 LEU 76 1HD2 LEU 76 -2.968 -11.902 8.656 500 HD23 LEU 76 2HD2 LEU 76 -2.050 -10.735 7.675 501 H ALA 77 H ALA 77 -3.696 -16.500 5.275 502 HA ALA 77 HA ALA 77 -4.846 -15.773 2.786 503 HB1 ALA 77 1HB ALA 77 -3.275 -17.578 2.856 504 HB2 ALA 77 2HB ALA 77 -4.180 -18.407 4.143 505 HB3 ALA 77 3HB ALA 77 -4.859 -18.307 2.501 506 H ALA 78 H ALA 78 -6.020 -17.424 5.779 507 HA ALA 78 HA ALA 78 -8.573 -18.002 4.764 508 HB1 ALA 78 1HB ALA 78 -7.447 -19.045 6.760 509 HB2 ALA 78 2HB ALA 78 -7.730 -17.530 7.650 510 HB3 ALA 78 3HB ALA 78 -9.111 -18.496 7.075 511 H ILE 79 H ILE 79 -7.030 -15.032 5.598 512 HA ILE 79 HA ILE 79 -9.390 -13.686 6.483 513 HB ILE 79 HB ILE 79 -6.544 -13.101 6.107 514 HG13 ILE 79 2HG1 ILE 79 -7.949 -13.447 8.261 515 HG21 ILE 79 1HG2 ILE 79 -7.015 -11.410 4.626 516 HG22 ILE 79 2HG2 ILE 79 -8.630 -11.105 5.307 517 HG23 ILE 79 3HG2 ILE 79 -7.178 -10.553 6.178 518 HD11 ILE 79 3HD1 ILE 79 -5.892 -12.795 8.982 519 HD12 ILE 79 1HD1 ILE 79 -5.694 -11.659 7.626 520 HD13 ILE 79 2HD1 ILE 79 -6.578 -11.155 9.086 521 H ALA 80 H ALA 80 -7.363 -13.588 3.468 522 HA ALA 80 HA ALA 80 -9.693 -12.430 2.115 523 HB1 ALA 80 1HB ALA 80 -8.096 -10.967 1.466 524 HB2 ALA 80 2HB ALA 80 -6.778 -12.043 1.985 525 HB3 ALA 80 3HB ALA 80 -7.530 -12.263 0.387 526 H ALA 81 H ALA 81 -9.931 -15.129 2.747 527 HA ALA 81 HA ALA 81 -9.236 -16.463 0.222 528 HB1 ALA 81 1HB ALA 81 -9.245 -17.260 3.064 529 HB2 ALA 81 2HB ALA 81 -10.046 -18.428 1.987 530 HB3 ALA 81 3HB ALA 81 -8.357 -17.952 1.685 531 HA PRO 82 HA PRO 82 -9.930 -18.675 0.054 532 HB3 PRO 82 2HB PRO 82 -11.251 -20.459 -0.558 533 HG3 PRO 82 2HG PRO 82 -13.451 -19.924 -0.993 534 HD3 PRO 82 2HD PRO 82 -13.655 -17.996 0.241 535 H ALA 83 H ALA 83 -10.845 -15.929 -1.381 536 HA ALA 83 HA ALA 83 -9.758 -15.848 -3.847 537 HB1 ALA 83 1HB ALA 83 -8.968 -13.445 -2.927 538 HB2 ALA 83 2HB ALA 83 -10.679 -13.839 -3.218 539 HB3 ALA 83 3HB ALA 83 -10.014 -13.926 -1.569 540 H GLU 84 H GLU 84 -7.839 -16.477 -4.685 541 HA GLU 84 HA GLU 84 -5.761 -17.364 -3.173 542 HB3 GLU 84 2HB GLU 84 -4.413 -16.870 -5.391 543 HG3 GLU 84 2HG GLU 84 -5.859 -18.687 -6.576 544 HE2 GLU 84 HE GLU 84 -6.090 -19.968 -3.507 545 H ILE 85 H ILE 85 -3.648 -16.501 -2.630 546 HA ILE 85 HA ILE 85 -3.290 -13.646 -2.992 547 HB ILE 85 HB ILE 85 -3.136 -14.799 -0.220 548 HG13 ILE 85 2HG1 ILE 85 -5.427 -15.124 -0.831 549 HG21 ILE 85 1HG2 ILE 85 -3.671 -12.141 0.012 550 HG22 ILE 85 2HG2 ILE 85 -2.040 -12.853 0.013 551 HG23 ILE 85 3HG2 ILE 85 -2.712 -12.170 -1.487 552 HD11 ILE 85 3HD1 ILE 85 -5.563 -12.401 0.463 553 HD12 ILE 85 1HD1 ILE 85 -6.452 -13.890 0.867 554 HD13 ILE 85 2HD1 ILE 85 -4.741 -13.722 1.328 555 H PHE 86 H PHE 86 -1.038 -12.978 -2.377 556 HA PHE 86 HA PHE 86 0.789 -15.255 -2.287 557 HB3 PHE 86 2HB PHE 86 2.132 -14.001 -4.069 558 HD1 PHE 86 1HD PHE 86 1.808 -16.264 -4.959 559 HD2 PHE 86 2HD PHE 86 -1.217 -13.309 -5.318 560 HE1 PHE 86 1HE PHE 86 0.663 -17.649 -6.712 561 HE2 PHE 86 2HE PHE 86 -2.362 -14.694 -7.071 562 HZ PHE 86 HZ PHE 86 -1.409 -16.847 -7.747 563 H LEU 87 H LEU 87 3.191 -14.225 -2.122 564 HA LEU 87 HA LEU 87 2.977 -12.094 -0.109 565 HB3 LEU 87 2HB LEU 87 4.982 -13.105 0.925 566 HG LEU 87 HG LEU 87 3.914 -14.654 2.203 567 HD11 LEU 87 1HD1 LEU 87 2.412 -12.598 1.718 568 HD12 LEU 87 2HD1 LEU 87 1.390 -13.758 0.836 569 HD13 LEU 87 3HD1 LEU 87 1.719 -13.999 2.568 570 HD21 LEU 87 3HD2 LEU 87 3.144 -16.607 1.451 571 HD22 LEU 87 1HD2 LEU 87 1.966 -15.829 0.368 572 HD23 LEU 87 2HD2 LEU 87 3.650 -16.055 -0.164 573 H LEU 88 H LEU 88 3.384 -10.287 -1.353 574 HA LEU 88 HA LEU 88 5.116 -10.213 -3.515 575 HB3 LEU 88 2HB LEU 88 4.354 -7.966 -1.644 576 HG LEU 88 HG LEU 88 6.088 -7.725 -3.714 577 HD11 LEU 88 1HD1 LEU 88 4.482 -8.549 -5.364 578 HD12 LEU 88 2HD1 LEU 88 3.349 -7.249 -4.923 579 HD13 LEU 88 3HD1 LEU 88 4.914 -6.849 -5.670 580 HD21 LEU 88 3HD2 LEU 88 4.398 -5.993 -2.144 581 HD22 LEU 88 1HD2 LEU 88 6.026 -5.703 -2.803 582 HD23 LEU 88 2HD2 LEU 88 4.591 -5.345 -3.791 583 H GLU 89 H GLU 89 7.026 -11.396 -2.994 584 HA GLU 89 HA GLU 89 8.952 -11.800 -2.000 585 HB3 GLU 89 2HB GLU 89 9.943 -9.051 -2.004 586 HG3 GLU 89 2HG GLU 89 11.399 -9.941 -3.777 587 HE2 GLU 89 HE GLU 89 11.623 -12.976 -1.192 588 H ASP 90 H ASP 90 10.695 -9.952 -0.484 589 HA ASP 90 HA ASP 90 9.692 -10.525 2.053 590 HB3 ASP 90 2HB ASP 90 11.635 -8.713 2.595 591 HD2 ASP 90 HD ASP 90 12.209 -11.474 0.486 592 H GLY 91 H GLY 91 7.512 -9.301 1.448 593 HA2 GLY 91 1HA GLY 91 6.130 -7.637 2.113 594 HA3 GLY 91 2HA GLY 91 7.480 -6.821 2.875 595 H ILE 92 H ILE 92 8.538 -5.122 1.819 596 HA ILE 92 HA ILE 92 7.429 -4.462 -0.818 597 HB ILE 92 HB ILE 92 6.778 -2.890 0.876 598 HG13 ILE 92 2HG1 ILE 92 7.339 -2.088 -1.415 599 HG21 ILE 92 1HG2 ILE 92 9.169 -1.587 1.612 600 HG22 ILE 92 2HG2 ILE 92 8.059 -2.517 2.648 601 HG23 ILE 92 3HG2 ILE 92 9.441 -3.327 1.874 602 HD11 ILE 92 3HD1 ILE 92 7.210 -0.523 1.050 603 HD12 ILE 92 1HD1 ILE 92 8.169 0.320 -0.190 604 HD13 ILE 92 2HD1 ILE 92 6.495 -0.174 -0.543 605 H ASP 93 H ASP 93 10.266 -5.303 1.040 606 HA ASP 93 HA ASP 93 12.284 -4.095 -0.201 607 HB3 ASP 93 2HB ASP 93 11.899 -6.935 0.768 608 HD2 ASP 93 HD ASP 93 14.670 -6.657 1.601 609 H GLY 94 H GLY 94 10.012 -6.472 -1.519 610 HA2 GLY 94 1HA GLY 94 11.533 -7.403 -3.712 611 HA3 GLY 94 2HA GLY 94 9.790 -7.456 -3.531 612 H TRP 95 H TRP 95 9.101 -4.731 -3.332 613 HA TRP 95 HA TRP 95 9.034 -3.978 -5.999 614 HB3 TRP 95 2HB TRP 95 8.635 -2.321 -3.502 615 HD1 TRP 95 HD TRP 95 8.414 0.205 -4.088 616 HE1 TRP 95 1HE TRP 95 7.687 1.718 -6.124 617 HE3 TRP 95 3HE TRP 95 7.377 -3.639 -7.250 618 HZ2 TRP 95 2HZ TRP 95 6.780 1.149 -8.770 619 HZ3 TRP 95 3HZ TRP 95 6.575 -3.074 -9.542 620 HH2 TRP 95 HH TRP 95 6.273 -0.775 -10.318 621 H LYS 96 H LYS 96 11.297 -3.231 -3.314 622 HA LYS 96 HA LYS 96 12.730 -1.314 -4.911 623 HB3 LYS 96 2HB LYS 96 13.904 -2.380 -2.401 624 HG3 LYS 96 2HG LYS 96 13.216 0.432 -3.374 625 HD3 LYS 96 2HD LYS 96 13.666 -0.022 -0.855 626 HE3 LYS 96 2HE LYS 96 16.581 0.017 -1.526 627 HZ1 LYS 96 2HZ LYS 96 15.090 -1.550 0.502 628 HZ3 LYS 96 1HZ LYS 96 15.535 -0.005 0.763 629 H LYS 97 H LYS 97 12.826 -4.771 -4.148 630 HA LYS 97 HA LYS 97 15.444 -5.359 -4.681 631 HB3 LYS 97 2HB LYS 97 13.219 -7.131 -5.658 632 HG3 LYS 97 2HG LYS 97 14.945 -8.505 -3.952 633 HD3 LYS 97 2HD LYS 97 15.035 -8.118 -6.978 634 HE3 LYS 97 2HE LYS 97 16.059 -10.647 -6.413 635 HZ1 LYS 97 2HZ LYS 97 18.240 -9.044 -6.740 636 HZ3 LYS 97 1HZ LYS 97 17.059 -8.148 -7.416 637 H ALA 98 H ALA 98 12.722 -4.809 -6.982 638 HA ALA 98 HA ALA 98 14.549 -5.174 -9.209 639 HB1 ALA 98 1HB ALA 98 11.645 -5.230 -8.730 640 HB2 ALA 98 2HB ALA 98 12.097 -4.357 -10.214 641 HB3 ALA 98 3HB ALA 98 12.611 -6.045 -9.984 642 H GLY 99 H GLY 99 14.602 -2.892 -7.087 643 HA2 GLY 99 1HA GLY 99 14.955 -0.672 -7.044 644 HA3 GLY 99 2HA GLY 99 15.567 -0.867 -8.675 645 H LEU 100 H LEU 100 12.415 -0.664 -6.875 646 HA LEU 100 HA LEU 100 11.444 1.005 -9.087 647 HB3 LEU 100 2HB LEU 100 9.254 0.023 -8.848 648 HG LEU 100 HG LEU 100 11.529 -1.821 -9.412 649 HD11 LEU 100 1HD1 LEU 100 9.525 -2.941 -8.018 650 HD12 LEU 100 2HD1 LEU 100 8.836 -3.048 -9.656 651 HD13 LEU 100 3HD1 LEU 100 10.417 -3.788 -9.305 652 HD21 LEU 100 3HD2 LEU 100 10.198 -0.125 -10.970 653 HD22 LEU 100 1HD2 LEU 100 10.846 -1.668 -11.578 654 HD23 LEU 100 2HD2 LEU 100 9.123 -1.533 -11.150 655 HA PRO 101 HA PRO 101 10.839 3.774 -5.798 656 HB3 PRO 101 2HB PRO 101 11.458 5.567 -7.103 657 HG3 PRO 101 2HG PRO 101 11.394 5.173 -9.375 658 HD3 PRO 101 2HD PRO 101 11.625 2.885 -9.397 659 H VAL 102 H VAL 102 9.419 3.770 -4.176 660 HA VAL 102 HA VAL 102 6.801 2.805 -4.808 661 HB VAL 102 HB VAL 102 8.348 2.416 -2.734 662 HG11 VAL 102 1HG1 VAL 102 7.986 3.841 -0.856 663 HG12 VAL 102 2HG1 VAL 102 8.434 4.895 -2.219 664 HG13 VAL 102 3HG1 VAL 102 6.732 4.770 -1.714 665 HG21 VAL 102 3HG2 VAL 102 6.552 1.452 -1.689 666 HG22 VAL 102 1HG2 VAL 102 5.500 2.865 -1.941 667 HG23 VAL 102 2HG2 VAL 102 5.829 1.750 -3.288 668 H ALA 103 H ALA 103 5.063 4.188 -3.190 669 HA ALA 103 HA ALA 103 4.911 6.719 -4.623 670 HB1 ALA 103 1HB ALA 103 3.070 4.722 -4.055 671 HB2 ALA 103 2HB ALA 103 2.689 5.971 -2.845 672 HB3 ALA 103 3HB ALA 103 2.677 6.377 -4.579 673 H VAL 104 H VAL 104 6.763 7.589 -3.310 674 HA VAL 104 HA VAL 104 6.027 8.151 -0.545 675 HB VAL 104 HB VAL 104 8.432 9.155 -0.662 676 HG11 VAL 104 1HG1 VAL 104 8.142 7.326 0.745 677 HG12 VAL 104 2HG1 VAL 104 7.625 6.255 -0.579 678 HG13 VAL 104 3HG1 VAL 104 9.338 6.717 -0.425 679 HG21 VAL 104 3HG2 VAL 104 8.855 7.113 -2.817 680 HG22 VAL 104 1HG2 VAL 104 8.322 8.750 -3.271 681 HG23 VAL 104 2HG2 VAL 104 9.842 8.526 -2.372 682 H ASN 105 H ASN 105 5.600 10.222 0.218 683 HA ASN 105 HA ASN 105 4.389 11.984 -1.381 684 HB3 ASN 105 2HB ASN 105 5.556 13.662 0.529 685 HD21 ASN 105 1HD2 ASN 105 4.201 12.563 2.866 686 HD22 ASN 105 2HD2 ASN 105 2.496 12.675 2.578 687 H LYS 106 H LYS 106 5.120 13.281 -3.073 688 HA LYS 106 HA LYS 106 7.508 14.783 -2.849 689 HB3 LYS 106 2HB LYS 106 7.652 12.699 -5.020 690 HG3 LYS 106 2HG LYS 106 10.194 13.363 -4.129 691 HD3 LYS 106 2HD LYS 106 9.793 15.228 -6.114 692 HE3 LYS 106 2HE LYS 106 10.941 12.687 -5.896 693 HZ1 LYS 106 2HZ LYS 106 8.998 12.682 -8.145 694 HZ3 LYS 106 1HZ LYS 106 8.903 11.714 -6.839 695 H SER 107 H SER 107 7.825 16.162 -4.829 696 HA SER 107 HA SER 107 6.087 16.138 -6.935 697 HB3 SER 107 2HB SER 107 5.087 17.734 -4.557 698 HG SER 107 HG SER 107 4.856 19.298 -6.086 699 H GLN 108 H GLN 108 7.721 16.963 -8.223 700 HA GLN 108 HA GLN 108 9.356 18.244 -8.908 701 HB3 GLN 108 2HB GLN 108 7.689 20.569 -7.866 702 HG3 GLN 108 2HG GLN 108 9.857 21.143 -8.960 703 HE21 GLN 108 1HE2 GLN 108 7.699 20.195 -11.608 704 HE22 GLN 108 2HE2 GLN 108 8.854 19.290 -12.530 Start of MODEL 4 1 H1 ALA 1 H ALA 1 -2.040 -23.580 -1.260 2 HA ALA 1 HA ALA 1 -1.836 -21.529 0.103 3 HB1 ALA 1 1HB ALA 1 -0.100 -22.926 0.657 4 HB2 ALA 1 2HB ALA 1 0.435 -23.109 -1.031 5 HB3 ALA 1 3HB ALA 1 0.849 -21.636 -0.122 6 H LEU 2 H LEU 2 -1.519 -19.322 0.120 7 HA LEU 2 HA LEU 2 -1.837 -17.817 -2.068 8 HB3 LEU 2 2HB LEU 2 -2.019 -16.620 -0.162 9 HG LEU 2 HG LEU 2 -0.057 -18.373 0.950 10 HD11 LEU 2 1HD1 LEU 2 1.649 -17.140 1.710 11 HD12 LEU 2 2HD1 LEU 2 1.204 -16.003 0.415 12 HD13 LEU 2 3HD1 LEU 2 0.611 -15.741 2.072 13 HD21 LEU 2 3HD2 LEU 2 -1.171 -16.433 2.805 14 HD22 LEU 2 1HD2 LEU 2 -2.407 -17.082 1.700 15 HD23 LEU 2 2HD2 LEU 2 -1.429 -18.191 2.691 16 H THR 3 H THR 3 1.240 -19.231 -0.887 17 HA THR 3 HA THR 3 3.210 -19.501 -1.881 18 HB THR 3 HB THR 3 1.437 -18.984 -4.311 19 HG1 THR 3 1HG THR 3 1.239 -20.986 -3.075 20 HG21 THR 3 3HG2 THR 3 3.425 -20.182 -5.512 21 HG22 THR 3 1HG2 THR 3 3.602 -18.438 -5.199 22 HG23 THR 3 2HG2 THR 3 4.416 -19.618 -4.144 23 H THR 4 H THR 4 5.088 -18.364 -2.735 24 HA THR 4 HA THR 4 4.689 -15.455 -2.511 25 HB THR 4 HB THR 4 6.067 -16.618 -0.731 26 HG1 THR 4 1HG THR 4 7.965 -15.136 -1.282 27 HG21 THR 4 3HG2 THR 4 8.443 -16.841 -2.437 28 HG22 THR 4 1HG2 THR 4 7.794 -18.018 -1.270 29 HG23 THR 4 2HG2 THR 4 7.191 -18.000 -2.945 30 H ILE 5 H ILE 5 5.042 -14.182 -4.221 31 HA ILE 5 HA ILE 5 6.328 -15.463 -6.526 32 HB ILE 5 HB ILE 5 4.373 -14.902 -7.435 33 HG13 ILE 5 2HG1 ILE 5 5.882 -13.440 -8.614 34 HG21 ILE 5 1HG2 ILE 5 3.368 -14.347 -5.262 35 HG22 ILE 5 2HG2 ILE 5 3.997 -12.687 -5.401 36 HG23 ILE 5 3HG2 ILE 5 2.786 -13.281 -6.562 37 HD11 ILE 5 3HD1 ILE 5 4.257 -12.176 -9.639 38 HD12 ILE 5 1HD1 ILE 5 3.173 -13.129 -8.599 39 HD13 ILE 5 2HD1 ILE 5 3.674 -11.494 -8.102 40 H SER 6 H SER 6 7.832 -14.179 -7.810 41 HA SER 6 HA SER 6 9.385 -12.507 -6.066 42 HB3 SER 6 2HB SER 6 10.415 -12.731 -8.787 43 HG SER 6 HG SER 6 12.214 -13.522 -7.704 44 HA PRO 7 HA PRO 7 8.491 -8.758 -8.113 45 HB3 PRO 7 2HB PRO 7 10.168 -7.571 -7.073 46 HG3 PRO 7 2HG PRO 7 11.992 -8.834 -6.443 47 HD3 PRO 7 2HD PRO 7 11.015 -10.909 -6.278 48 H HIS 8 H HIS 8 8.968 -7.169 -10.073 49 HA HIS 8 HA HIS 8 9.179 -6.932 -12.266 50 HB3 HIS 8 2HB HIS 8 9.902 -9.842 -12.608 51 HD1 HIS 8 1HD HIS 8 9.903 -10.156 -15.083 52 HD2 HIS 8 2HD HIS 8 11.275 -6.348 -13.982 53 HE1 HIS 8 1HE HIS 8 10.601 -8.994 -17.245 54 H ASP 9 H ASP 9 7.793 -10.159 -11.353 55 HA ASP 9 HA ASP 9 5.852 -9.968 -13.404 56 HB3 ASP 9 2HB ASP 9 4.897 -11.884 -11.652 57 HD2 ASP 9 HD ASP 9 7.930 -12.994 -12.618 58 H ALA 10 H ALA 10 6.086 -9.388 -9.859 59 HA ALA 10 HA ALA 10 3.357 -9.122 -9.328 60 HB1 ALA 10 1HB ALA 10 4.572 -7.491 -7.499 61 HB2 ALA 10 2HB ALA 10 4.502 -9.264 -7.365 62 HB3 ALA 10 3HB ALA 10 5.952 -8.480 -8.036 63 H GLN 11 H GLN 11 5.899 -6.681 -10.191 64 HA GLN 11 HA GLN 11 4.371 -4.457 -10.010 65 HB3 GLN 11 2HB GLN 11 6.521 -5.095 -12.078 66 HG3 GLN 11 2HG GLN 11 6.450 -2.342 -11.192 67 HE21 GLN 11 1HE2 GLN 11 5.718 -1.019 -13.296 68 HE22 GLN 11 2HE2 GLN 11 6.460 -1.561 -14.764 69 H GLU 12 H GLU 12 4.046 -7.114 -12.239 70 HA GLU 12 HA GLU 12 2.645 -5.526 -14.176 71 HB3 GLU 12 2HB GLU 12 2.247 -8.239 -14.795 72 HG3 GLU 12 2HG GLU 12 4.776 -7.184 -15.838 73 HE2 GLU 12 HE GLU 12 4.067 -9.277 -16.713 74 H LEU 13 H LEU 13 1.798 -8.592 -12.399 75 HA LEU 13 HA LEU 13 -0.867 -8.563 -12.774 76 HB3 LEU 13 2HB LEU 13 0.096 -10.414 -11.739 77 HG LEU 13 HG LEU 13 1.761 -8.738 -10.320 78 HD11 LEU 13 1HD1 LEU 13 0.148 -8.182 -8.643 79 HD12 LEU 13 2HD1 LEU 13 -0.277 -9.894 -8.403 80 HD13 LEU 13 3HD1 LEU 13 1.330 -9.301 -7.922 81 HD21 LEU 13 3HD2 LEU 13 1.942 -11.228 -9.044 82 HD22 LEU 13 1HD2 LEU 13 1.333 -11.576 -10.680 83 HD23 LEU 13 2HD2 LEU 13 2.849 -10.667 -10.470 84 H ILE 14 H ILE 14 0.987 -6.680 -10.318 85 HA ILE 14 HA ILE 14 -1.143 -5.651 -8.918 86 HB ILE 14 HB ILE 14 1.669 -5.151 -9.234 87 HG13 ILE 14 2HG1 ILE 14 -0.074 -5.792 -7.227 88 HG21 ILE 14 1HG2 ILE 14 1.530 -2.729 -8.431 89 HG22 ILE 14 2HG2 ILE 14 1.276 -3.034 -10.165 90 HG23 ILE 14 3HG2 ILE 14 -0.118 -2.724 -9.103 91 HD11 ILE 14 3HD1 ILE 14 2.206 -6.402 -7.010 92 HD12 ILE 14 1HD1 ILE 14 2.768 -4.727 -7.239 93 HD13 ILE 14 2HD1 ILE 14 1.976 -5.200 -5.717 94 H ALA 15 H ALA 15 0.305 -4.583 -12.039 95 HA ALA 15 HA ALA 15 -1.608 -2.415 -12.205 96 HB1 ALA 15 1HB ALA 15 0.373 -1.683 -13.104 97 HB2 ALA 15 2HB ALA 15 0.860 -3.309 -13.635 98 HB3 ALA 15 3HB ALA 15 -0.332 -2.385 -14.579 99 H ARG 16 H ARG 16 -2.150 -5.535 -12.275 100 HA ARG 16 HA ARG 16 -3.618 -5.446 -14.787 101 HB3 ARG 16 2HB ARG 16 -3.653 -7.978 -14.591 102 HG3 ARG 16 2HG ARG 16 -0.970 -8.128 -14.694 103 HD3 ARG 16 2HD ARG 16 -2.213 -6.400 -16.835 104 HE ARG 16 HE ARG 16 -0.239 -8.599 -16.714 105 HH11 ARG 16 2HH2 ARG 16 -2.198 -6.485 -18.775 106 HH12 ARG 16 1HH2 ARG 16 -1.223 -6.749 -20.183 107 HH22 ARG 16 1HH ARG 16 0.678 -8.200 -20.040 108 H GLY 17 H GLY 17 -3.719 -5.991 -11.265 109 HA2 GLY 17 1HA GLY 17 -6.239 -5.192 -10.762 110 HA3 GLY 17 2HA GLY 17 -6.482 -6.854 -11.265 111 H ALA 18 H ALA 18 -3.669 -7.579 -10.227 112 HA ALA 18 HA ALA 18 -4.267 -8.779 -7.921 113 HB1 ALA 18 1HB ALA 18 -2.029 -8.475 -9.392 114 HB2 ALA 18 2HB ALA 18 -1.596 -7.439 -8.011 115 HB3 ALA 18 3HB ALA 18 -2.007 -9.150 -7.745 116 H LYS 19 H LYS 19 -5.399 -7.976 -6.213 117 HA LYS 19 HA LYS 19 -4.964 -5.229 -5.420 118 HB3 LYS 19 2HB LYS 19 -6.737 -6.704 -3.688 119 HG3 LYS 19 2HG LYS 19 -6.920 -4.293 -4.074 120 HD3 LYS 19 2HD LYS 19 -8.025 -4.343 -6.771 121 HE3 LYS 19 2HE LYS 19 -5.418 -2.997 -6.163 122 HZ1 LYS 19 2HZ LYS 19 -7.993 -2.298 -7.426 123 HZ3 LYS 19 1HZ LYS 19 -6.503 -2.251 -8.083 124 H LEU 20 H LEU 20 -3.000 -4.959 -4.419 125 HA LEU 20 HA LEU 20 -2.111 -6.957 -2.535 126 HB3 LEU 20 2HB LEU 20 -0.955 -4.487 -3.770 127 HG LEU 20 HG LEU 20 0.278 -6.027 -1.470 128 HD11 LEU 20 1HD1 LEU 20 1.792 -5.577 -3.465 129 HD12 LEU 20 2HD1 LEU 20 1.615 -3.849 -3.078 130 HD13 LEU 20 3HD1 LEU 20 2.335 -4.958 -1.887 131 HD21 LEU 20 3HD2 LEU 20 -0.943 -3.339 -1.729 132 HD22 LEU 20 1HD2 LEU 20 -0.803 -4.415 -0.318 133 HD23 LEU 20 2HD2 LEU 20 0.589 -3.429 -0.826 134 H ILE 21 H ILE 21 -2.066 -6.763 -0.301 135 HA ILE 21 HA ILE 21 -3.505 -4.419 0.730 136 HB ILE 21 HB ILE 21 -3.293 -7.093 2.090 137 HG13 ILE 21 2HG1 ILE 21 -5.558 -7.587 1.153 138 HG21 ILE 21 1HG2 ILE 21 -4.052 -4.806 3.169 139 HG22 ILE 21 2HG2 ILE 21 -5.587 -5.194 2.357 140 HG23 ILE 21 3HG2 ILE 21 -4.893 -6.331 3.538 141 HD11 ILE 21 3HD1 ILE 21 -4.856 -5.131 -0.490 142 HD12 ILE 21 1HD1 ILE 21 -5.918 -6.402 -1.143 143 HD13 ILE 21 2HD1 ILE 21 -6.388 -5.520 0.330 144 H ASP 22 H ASP 22 -2.632 -3.257 2.457 145 HA ASP 22 HA ASP 22 0.161 -3.867 2.914 146 HB3 ASP 22 2HB ASP 22 -0.936 -1.409 4.139 147 HD2 ASP 22 HD ASP 22 0.522 0.349 2.197 148 H ILE 23 H ILE 23 0.146 -5.420 4.618 149 HA ILE 23 HA ILE 23 -1.446 -4.729 6.981 150 HB ILE 23 HB ILE 23 -1.467 -7.003 7.544 151 HG13 ILE 23 2HG1 ILE 23 1.035 -7.102 6.157 152 HG21 ILE 23 1HG2 ILE 23 -1.854 -7.811 4.847 153 HG22 ILE 23 2HG2 ILE 23 -3.073 -7.347 6.059 154 HG23 ILE 23 3HG2 ILE 23 -2.371 -6.113 4.985 155 HD11 ILE 23 3HD1 ILE 23 0.777 -8.007 8.379 156 HD12 ILE 23 1HD1 ILE 23 -0.581 -9.038 7.868 157 HD13 ILE 23 2HD1 ILE 23 1.069 -9.392 7.300 158 H ARG 24 H ARG 24 0.553 -3.025 6.894 159 HA ARG 24 HA ARG 24 2.555 -4.255 8.612 160 HB3 ARG 24 2HB ARG 24 4.102 -3.606 7.067 161 HG3 ARG 24 2HG ARG 24 1.794 -2.040 5.840 162 HD3 ARG 24 2HD ARG 24 3.791 -2.219 3.900 163 HE ARG 24 HE ARG 24 2.745 0.005 5.561 164 HH11 ARG 24 2HH2 ARG 24 4.548 -0.976 2.673 165 HH12 ARG 24 1HH2 ARG 24 4.389 0.565 1.899 166 HH22 ARG 24 1HH ARG 24 3.203 2.323 3.015 167 H ASP 25 H ASP 25 1.188 -1.038 7.570 168 HA ASP 25 HA ASP 25 0.175 -0.372 10.006 169 HB3 ASP 25 2HB ASP 25 2.534 1.402 9.812 170 HD2 ASP 25 HD ASP 25 3.291 0.890 12.905 171 H ALA 26 H ALA 26 0.551 2.444 10.066 172 HA ALA 26 HA ALA 26 -0.320 3.180 7.361 173 HB1 ALA 26 1HB ALA 26 -1.768 4.730 8.345 174 HB2 ALA 26 2HB ALA 26 -1.818 3.383 9.507 175 HB3 ALA 26 3HB ALA 26 -0.818 4.815 9.848 176 H ASP 27 H ASP 27 1.691 4.165 10.199 177 HA ASP 27 HA ASP 27 2.667 6.487 9.451 178 HB3 ASP 27 2HB ASP 27 4.931 5.669 10.386 179 HD2 ASP 27 HD ASP 27 5.167 5.846 12.519 180 H GLU 28 H GLU 28 3.631 3.248 8.155 181 HA GLU 28 HA GLU 28 5.744 4.076 6.609 182 HB3 GLU 28 2HB GLU 28 5.451 1.964 5.399 183 HG3 GLU 28 2HG GLU 28 4.380 1.155 8.072 184 HE2 GLU 28 HE GLU 28 7.150 0.901 5.714 185 H TYR 29 H TYR 29 2.414 3.257 5.378 186 HA TYR 29 HA TYR 29 2.612 4.165 2.863 187 HB3 TYR 29 2HB TYR 29 0.495 4.241 5.056 188 HD1 TYR 29 1HD TYR 29 0.178 4.363 1.329 189 HD2 TYR 29 2HD TYR 29 -0.873 6.145 5.074 190 HE1 TYR 29 1HE TYR 29 -1.435 5.927 0.140 191 HE2 TYR 29 2HE TYR 29 -2.482 7.704 3.872 192 HH TYR 29 HH TYR 29 -2.430 8.122 0.532 193 H LEU 30 H LEU 30 2.545 6.141 5.813 194 HA LEU 30 HA LEU 30 1.714 8.550 4.859 195 HB3 LEU 30 2HB LEU 30 4.096 8.410 6.661 196 HG LEU 30 HG LEU 30 2.711 9.902 8.086 197 HD11 LEU 30 1HD1 LEU 30 3.804 11.567 7.115 198 HD12 LEU 30 2HD1 LEU 30 4.105 10.517 5.709 199 HD13 LEU 30 3HD1 LEU 30 2.667 11.565 5.744 200 HD21 LEU 30 3HD2 LEU 30 0.661 10.826 7.389 201 HD22 LEU 30 1HD2 LEU 30 0.836 10.188 5.737 202 HD23 LEU 30 2HD2 LEU 30 0.517 9.077 7.090 203 H ARG 31 H ARG 31 5.256 7.905 5.250 204 HA ARG 31 HA ARG 31 5.830 9.809 3.279 205 HB3 ARG 31 2HB ARG 31 8.204 8.563 3.527 206 HG3 ARG 31 2HG ARG 31 6.722 10.476 5.253 207 HD3 ARG 31 2HD ARG 31 9.156 8.944 6.283 208 HE ARG 31 HE ARG 31 8.741 11.677 6.615 209 HH11 ARG 31 2HH2 ARG 31 8.749 8.885 8.797 210 HH12 ARG 31 1HH2 ARG 31 9.270 9.802 10.171 211 HH22 ARG 31 1HH ARG 31 9.663 12.155 9.931 212 H GLU 32 H GLU 32 6.543 6.232 3.415 213 HA GLU 32 HA GLU 32 6.737 6.250 0.539 214 HB3 GLU 32 2HB GLU 32 7.240 3.672 1.178 215 HG3 GLU 32 2HG GLU 32 8.767 5.727 0.335 216 HE2 GLU 32 HE GLU 32 11.086 6.091 1.130 217 H HIS 33 H HIS 33 5.872 3.741 -0.226 218 HA HIS 33 HA HIS 33 3.254 3.290 0.870 219 HB3 HIS 33 2HB HIS 33 3.562 4.197 -2.006 220 HD1 HIS 33 1HD HIS 33 1.130 4.600 -3.126 221 HD2 HIS 33 2HD HIS 33 1.227 2.137 0.268 222 HE1 HIS 33 1HE HIS 33 -1.081 3.326 -3.104 223 H ILE 34 H ILE 34 3.364 2.330 -2.387 224 HA ILE 34 HA ILE 34 5.139 0.245 -2.450 225 HB ILE 34 HB ILE 34 3.231 -0.288 -0.509 226 HG13 ILE 34 2HG1 ILE 34 5.117 -1.474 -0.161 227 HG21 ILE 34 1HG2 ILE 34 2.576 -1.833 -3.031 228 HG22 ILE 34 2HG2 ILE 34 2.006 -2.249 -1.397 229 HG23 ILE 34 3HG2 ILE 34 1.510 -0.713 -2.149 230 HD11 ILE 34 3HD1 ILE 34 3.463 -3.266 -0.184 231 HD12 ILE 34 1HD1 ILE 34 3.557 -3.385 -1.957 232 HD13 ILE 34 2HD1 ILE 34 4.948 -3.867 -0.957 233 HA PRO 35 HA PRO 35 3.344 -0.053 -6.367 234 HB3 PRO 35 2HB PRO 35 4.990 -1.452 -7.164 235 HG3 PRO 35 2HG PRO 35 6.029 -2.733 -5.552 236 HD3 PRO 35 2HD PRO 35 5.644 -1.439 -3.691 237 H GLU 36 H GLU 36 1.237 0.506 -5.342 238 HA GLU 36 HA GLU 36 -0.927 0.231 -5.695 239 HB3 GLU 36 2HB GLU 36 -0.987 -2.693 -6.211 240 HG3 GLU 36 2HG GLU 36 -1.838 -0.819 -8.322 241 HE2 GLU 36 HE GLU 36 -4.415 -1.555 -8.563 242 H ALA 37 H ALA 37 -1.575 0.560 -3.583 243 HA ALA 37 HA ALA 37 -2.199 -1.796 -2.051 244 HB1 ALA 37 1HB ALA 37 -0.973 -0.732 -0.023 245 HB2 ALA 37 2HB ALA 37 0.002 -1.612 -1.225 246 HB3 ALA 37 3HB ALA 37 -0.041 0.168 -1.243 247 H ASP 38 H ASP 38 -3.762 -1.335 -0.377 248 HA ASP 38 HA ASP 38 -4.859 1.353 -0.654 249 HB3 ASP 38 2HB ASP 38 -6.619 -0.882 0.281 250 HD2 ASP 38 HD ASP 38 -9.241 0.711 -0.647 251 H LEU 39 H LEU 39 -2.968 -0.382 1.305 252 HA LEU 39 HA LEU 39 -2.491 -0.380 3.460 253 HB3 LEU 39 2HB LEU 39 -4.536 1.835 3.520 254 HG LEU 39 HG LEU 39 -4.331 0.975 5.808 255 HD11 LEU 39 1HD1 LEU 39 -1.407 1.627 5.861 256 HD12 LEU 39 2HD1 LEU 39 -2.361 0.561 6.920 257 HD13 LEU 39 3HD1 LEU 39 -1.945 0.036 5.271 258 HD21 LEU 39 3HD2 LEU 39 -3.440 3.638 4.953 259 HD22 LEU 39 1HD2 LEU 39 -4.656 3.159 6.162 260 HD23 LEU 39 2HD2 LEU 39 -2.932 3.195 6.602 261 H ALA 40 H ALA 40 -3.062 -1.554 5.331 262 HA ALA 40 HA ALA 40 -5.596 -2.083 6.214 263 HB1 ALA 40 1HB ALA 40 -5.034 -4.608 4.878 264 HB2 ALA 40 2HB ALA 40 -6.519 -3.627 4.863 265 HB3 ALA 40 3HB ALA 40 -5.218 -3.289 3.697 266 HA PRO 41 HA PRO 41 -2.105 -3.643 8.598 267 HB3 PRO 41 2HB PRO 41 -1.502 -1.671 9.622 268 HG3 PRO 41 2HG PRO 41 -2.987 0.066 9.316 269 HD3 PRO 41 2HD PRO 41 -4.000 -0.600 7.363 270 H LEU 42 H LEU 42 -1.975 -5.351 10.026 271 HA LEU 42 HA LEU 42 -4.056 -7.006 10.216 272 HB3 LEU 42 2HB LEU 42 -2.362 -6.775 12.649 273 HG LEU 42 HG LEU 42 -2.530 -8.992 12.765 274 HD11 LEU 42 1HD1 LEU 42 -4.436 -8.955 10.426 275 HD12 LEU 42 2HD1 LEU 42 -4.465 -9.981 11.880 276 HD13 LEU 42 3HD1 LEU 42 -4.853 -8.248 12.004 277 HD21 LEU 42 3HD2 LEU 42 -1.110 -8.786 10.364 278 HD22 LEU 42 1HD2 LEU 42 -1.317 -10.233 11.379 279 HD23 LEU 42 2HD2 LEU 42 -2.432 -9.927 10.025 280 H SER 43 H SER 43 -3.268 -4.456 12.679 281 HA SER 43 HA SER 43 -5.095 -4.816 14.502 282 HB3 SER 43 2HB SER 43 -5.454 -2.158 14.295 283 HG SER 43 HG SER 43 -2.755 -3.044 14.716 284 H VAL 44 H VAL 44 -5.757 -3.619 11.176 285 HA VAL 44 HA VAL 44 -8.573 -3.321 11.769 286 HB VAL 44 HB VAL 44 -8.680 -2.103 9.878 287 HG11 VAL 44 1HG1 VAL 44 -6.712 -1.289 11.265 288 HG12 VAL 44 2HG1 VAL 44 -5.657 -2.075 10.066 289 HG13 VAL 44 3HG1 VAL 44 -6.744 -0.758 9.566 290 HG21 VAL 44 3HG2 VAL 44 -8.239 -4.101 8.432 291 HG22 VAL 44 1HG2 VAL 44 -7.594 -2.575 7.781 292 HG23 VAL 44 2HG2 VAL 44 -6.498 -3.746 8.554 293 H LEU 45 H LEU 45 -6.456 -5.317 9.594 294 HA LEU 45 HA LEU 45 -8.328 -6.888 8.449 295 HB3 LEU 45 2HB LEU 45 -6.425 -8.705 8.756 296 HG LEU 45 HG LEU 45 -4.987 -6.918 7.198 297 HD11 LEU 45 1HD1 LEU 45 -7.211 -8.709 6.198 298 HD12 LEU 45 2HD1 LEU 45 -5.725 -8.223 5.348 299 HD13 LEU 45 3HD1 LEU 45 -5.630 -9.306 6.758 300 HD21 LEU 45 3HD2 LEU 45 -7.862 -6.444 6.451 301 HD22 LEU 45 1HD2 LEU 45 -7.026 -5.370 7.597 302 HD23 LEU 45 2HD2 LEU 45 -6.397 -5.568 5.943 303 H GLU 46 H GLU 46 -6.904 -7.264 11.750 304 HA GLU 46 HA GLU 46 -8.299 -9.617 12.296 305 HB3 GLU 46 2HB GLU 46 -7.835 -8.454 14.775 306 HG3 GLU 46 2HG GLU 46 -5.382 -9.536 14.190 307 HE2 GLU 46 HE GLU 46 -7.044 -12.105 13.511 308 H GLN 47 H GLN 47 -9.093 -6.150 12.578 309 HA GLN 47 HA GLN 47 -11.367 -6.610 14.196 310 HB3 GLN 47 2HB GLN 47 -11.817 -4.136 13.159 311 HG3 GLN 47 2HG GLN 47 -10.038 -3.372 14.963 312 HE21 GLN 47 1HE2 GLN 47 -11.653 -2.227 15.774 313 HE22 GLN 47 2HE2 GLN 47 -13.023 -2.849 16.632 314 H SER 48 H SER 48 -10.655 -6.468 10.712 315 HA SER 48 HA SER 48 -13.441 -7.170 10.261 316 HB3 SER 48 2HB SER 48 -11.996 -5.561 8.168 317 HG SER 48 HG SER 48 -14.610 -6.269 8.841 318 H GLY 49 H GLY 49 -10.313 -6.770 8.427 319 HA2 GLY 49 1HA GLY 49 -9.033 -8.675 7.777 320 HA3 GLY 49 2HA GLY 49 -10.509 -9.614 7.661 321 H LEU 50 H LEU 50 -9.887 -10.186 5.445 322 HA LEU 50 HA LEU 50 -9.212 -8.605 3.407 323 HB3 LEU 50 2HB LEU 50 -11.400 -10.640 3.078 324 HG LEU 50 HG LEU 50 -8.860 -10.435 1.474 325 HD11 LEU 50 1HD1 LEU 50 -11.033 -12.231 1.544 326 HD12 LEU 50 2HD1 LEU 50 -11.208 -11.288 0.044 327 HD13 LEU 50 3HD1 LEU 50 -9.694 -12.168 0.371 328 HD21 LEU 50 3HD2 LEU 50 -11.438 -9.065 0.685 329 HD22 LEU 50 1HD2 LEU 50 -10.074 -8.220 1.454 330 HD23 LEU 50 2HD2 LEU 50 -9.858 -9.000 -0.131 331 HA PRO 51 HA PRO 51 -12.521 -5.703 3.465 332 HB3 PRO 51 2HB PRO 51 -11.137 -3.905 3.857 333 HG3 PRO 51 2HG PRO 51 -8.891 -4.336 3.561 334 HD3 PRO 51 2HD PRO 51 -8.866 -6.612 3.887 335 H ALA 52 H ALA 52 -14.028 -4.751 1.973 336 HA ALA 52 HA ALA 52 -14.388 -6.452 -0.235 337 HB1 ALA 52 1HB ALA 52 -16.000 -4.339 -0.770 338 HB2 ALA 52 2HB ALA 52 -16.392 -5.582 0.443 339 HB3 ALA 52 3HB ALA 52 -15.670 -4.037 0.953 340 H LYS 53 H LYS 53 -13.550 -2.912 -0.076 341 HA LYS 53 HA LYS 53 -13.158 -2.387 -2.667 342 HB3 LYS 53 2HB LYS 53 -12.855 -0.593 -1.242 343 HG3 LYS 53 2HG LYS 53 -10.533 -1.183 0.324 344 HD3 LYS 53 2HD LYS 53 -12.396 -1.207 2.188 345 HE3 LYS 53 2HE LYS 53 -11.607 1.041 0.339 346 HZ1 LYS 53 2HZ LYS 53 -13.077 2.523 1.300 347 HZ3 LYS 53 1HZ LYS 53 -13.337 1.630 2.636 348 H LEU 54 H LEU 54 -10.774 -4.032 -0.494 349 HA LEU 54 HA LEU 54 -9.232 -4.699 -2.891 350 HB3 LEU 54 2HB LEU 54 -7.376 -5.035 -1.483 351 HG LEU 54 HG LEU 54 -6.907 -2.950 -0.790 352 HD11 LEU 54 1HD1 LEU 54 -8.578 -2.837 -2.828 353 HD12 LEU 54 2HD1 LEU 54 -9.608 -1.992 -1.647 354 HD13 LEU 54 3HD1 LEU 54 -7.990 -1.358 -2.030 355 HD21 LEU 54 3HD2 LEU 54 -8.437 -1.583 0.676 356 HD22 LEU 54 1HD2 LEU 54 -9.519 -2.995 0.734 357 HD23 LEU 54 2HD2 LEU 54 -7.864 -3.116 1.376 358 H ARG 55 H ARG 55 -11.573 -6.036 -2.918 359 HA ARG 55 HA ARG 55 -10.859 -8.621 -1.786 360 HB3 ARG 55 2HB ARG 55 -13.030 -7.495 -0.980 361 HG3 ARG 55 2HG ARG 55 -13.447 -7.185 -3.761 362 HD3 ARG 55 2HD ARG 55 -15.899 -8.564 -3.205 363 HE ARG 55 HE ARG 55 -14.050 -8.358 -5.343 364 HH11 ARG 55 2HH2 ARG 55 -16.217 -10.806 -3.976 365 HH12 ARG 55 1HH2 ARG 55 -16.448 -11.621 -5.487 366 HH22 ARG 55 1HH ARG 55 -15.346 -10.798 -7.449 367 H HIS 56 H HIS 56 -10.416 -7.019 -4.522 368 HA HIS 56 HA HIS 56 -11.751 -8.054 -6.589 369 HB3 HIS 56 2HB HIS 56 -8.736 -7.866 -6.593 370 HD1 HIS 56 1HD HIS 56 -8.279 -8.859 -8.871 371 HD2 HIS 56 2HD HIS 56 -11.510 -6.183 -8.892 372 HE1 HIS 56 1HE HIS 56 -8.931 -8.544 -11.318 373 H GLU 57 H GLU 57 -11.186 -9.839 -8.171 374 HA GLU 57 HA GLU 57 -11.520 -12.248 -7.119 375 HB3 GLU 57 2HB GLU 57 -9.946 -11.497 -9.616 376 HG3 GLU 57 2HG GLU 57 -10.421 -14.123 -8.382 377 HE2 GLU 57 HE GLU 57 -10.112 -14.215 -11.665 378 H GLN 58 H GLN 58 -8.299 -10.748 -7.857 379 HA GLN 58 HA GLN 58 -7.160 -12.762 -6.080 380 HB3 GLN 58 2HB GLN 58 -5.025 -12.456 -7.390 381 HG3 GLN 58 2HG GLN 58 -7.462 -13.788 -8.224 382 HE21 GLN 58 1HE2 GLN 58 -5.228 -14.588 -10.462 383 HE22 GLN 58 2HE2 GLN 58 -5.823 -13.760 -11.863 384 H ILE 59 H ILE 59 -5.620 -12.057 -4.513 385 HA ILE 59 HA ILE 59 -5.209 -9.161 -4.393 386 HB ILE 59 HB ILE 59 -6.007 -8.925 -2.284 387 HG13 ILE 59 2HG1 ILE 59 -4.917 -11.599 -1.883 388 HG21 ILE 59 1HG2 ILE 59 -7.807 -11.246 -2.834 389 HG22 ILE 59 2HG2 ILE 59 -8.194 -9.587 -2.318 390 HG23 ILE 59 3HG2 ILE 59 -7.749 -9.912 -4.010 391 HD11 ILE 59 3HD1 ILE 59 -5.670 -9.359 0.051 392 HD12 ILE 59 1HD1 ILE 59 -4.564 -10.714 0.380 393 HD13 ILE 59 2HD1 ILE 59 -4.119 -9.470 -0.812 394 H ILE 60 H ILE 60 -3.428 -8.664 -2.679 395 HA ILE 60 HA ILE 60 -1.520 -10.864 -2.518 396 HB ILE 60 HB ILE 60 -1.080 -8.236 -3.909 397 HG13 ILE 60 2HG1 ILE 60 -1.684 -9.819 -5.491 398 HG21 ILE 60 1HG2 ILE 60 1.289 -8.538 -3.825 399 HG22 ILE 60 2HG2 ILE 60 0.674 -8.578 -2.155 400 HG23 ILE 60 3HG2 ILE 60 1.121 -10.094 -2.976 401 HD11 ILE 60 3HD1 ILE 60 1.333 -10.174 -5.170 402 HD12 ILE 60 1HD1 ILE 60 0.397 -10.547 -6.638 403 HD13 ILE 60 2HD1 ILE 60 0.532 -8.865 -6.071 404 H PHE 61 H PHE 61 0.097 -10.551 -0.834 405 HA PHE 61 HA PHE 61 -0.694 -8.450 1.059 406 HB3 PHE 61 2HB PHE 61 0.419 -10.541 2.548 407 HD1 PHE 61 1HD PHE 61 -2.735 -9.667 0.795 408 HD2 PHE 61 2HD PHE 61 -0.951 -11.125 4.359 409 HE1 PHE 61 1HE PHE 61 -4.950 -9.515 1.967 410 HE2 PHE 61 2HE PHE 61 -3.166 -10.973 5.530 411 HZ PHE 61 HZ PHE 61 -5.139 -10.169 4.320 412 H HIS 62 H HIS 62 1.135 -8.160 2.803 413 HA HIS 62 HA HIS 62 3.736 -8.879 2.255 414 HB3 HIS 62 2HB HIS 62 2.897 -7.102 0.317 415 HD1 HIS 62 1HD HIS 62 5.969 -5.655 1.818 416 HD2 HIS 62 2HD HIS 62 1.910 -4.646 1.505 417 HE1 HIS 62 1HE HIS 62 5.798 -3.184 2.429 418 H CYS 63 H CYS 63 5.220 -6.771 3.243 419 HA CYS 63 HA CYS 63 4.010 -5.275 5.228 420 HB3 CYS 63 2HB CYS 63 3.505 -7.500 6.249 421 HG CYS 63 HG CYS 63 4.974 -9.328 6.628 422 H GLN 64 H GLN 64 5.978 -4.833 7.033 423 HA GLN 64 HA GLN 64 7.903 -3.531 5.683 424 HB3 GLN 64 2HB GLN 64 9.260 -3.846 7.910 425 HG3 GLN 64 2HG GLN 64 6.418 -2.810 8.228 426 HE21 GLN 64 1HE2 GLN 64 6.392 -0.870 9.498 427 HE22 GLN 64 2HE2 GLN 64 7.579 -0.601 10.731 428 H ALA 65 H ALA 65 10.452 -4.062 6.112 429 HA ALA 65 HA ALA 65 10.916 -6.420 4.550 430 HB1 ALA 65 1HB ALA 65 12.252 -4.560 3.986 431 HB2 ALA 65 2HB ALA 65 12.606 -4.181 5.689 432 HB3 ALA 65 3HB ALA 65 13.352 -5.602 4.920 433 H GLY 66 H GLY 66 9.703 -7.528 6.605 434 HA2 GLY 66 1HA GLY 66 11.865 -8.479 8.390 435 HA3 GLY 66 2HA GLY 66 10.200 -8.265 8.893 436 H LYS 67 H LYS 67 9.030 -9.243 6.327 437 HA LYS 67 HA LYS 67 8.525 -11.124 5.255 438 HB3 LYS 67 2HB LYS 67 10.866 -12.501 6.592 439 HG3 LYS 67 2HG LYS 67 9.564 -12.945 3.870 440 HD3 LYS 67 2HD LYS 67 11.846 -14.116 5.384 441 HE3 LYS 67 2HE LYS 67 9.643 -15.791 5.126 442 HZ1 LYS 67 2HZ LYS 67 11.339 -16.853 3.044 443 HZ3 LYS 67 1HZ LYS 67 10.492 -15.545 2.572 444 H ARG 68 H ARG 68 6.867 -10.492 7.130 445 HA ARG 68 HA ARG 68 6.779 -12.666 9.034 446 HB3 ARG 68 2HB ARG 68 4.565 -10.930 9.459 447 HG3 ARG 68 2HG ARG 68 6.722 -11.963 10.911 448 HD3 ARG 68 2HD ARG 68 7.068 -9.020 10.434 449 HE ARG 68 HE ARG 68 6.582 -9.932 13.084 450 HH11 ARG 68 2HH2 ARG 68 9.086 -8.162 11.309 451 HH12 ARG 68 1HH2 ARG 68 9.615 -7.271 12.696 452 HH22 ARG 68 1HH ARG 68 8.538 -7.638 14.806 453 H THR 69 H THR 69 5.199 -11.315 6.160 454 HA THR 69 HA THR 69 2.692 -12.400 6.272 455 HB THR 69 HB THR 69 2.851 -12.302 3.770 456 HG1 THR 69 1HG THR 69 5.648 -11.687 4.373 457 HG21 THR 69 3HG2 THR 69 4.604 -10.018 4.190 458 HG22 THR 69 1HG2 THR 69 2.852 -10.020 3.877 459 HG23 THR 69 2HG2 THR 69 3.458 -10.132 5.548 460 H SER 70 H SER 70 5.789 -14.066 5.803 461 HA SER 70 HA SER 70 4.466 -16.457 4.976 462 HB3 SER 70 2HB SER 70 6.749 -15.811 4.164 463 HG SER 70 HG SER 70 7.343 -15.216 6.574 464 H ASN 71 H ASN 71 5.627 -14.929 7.952 465 HA ASN 71 HA ASN 71 5.758 -17.295 9.457 466 HB3 ASN 71 2HB ASN 71 5.332 -15.339 11.341 467 HD21 ASN 71 1HD2 ASN 71 7.833 -14.709 8.957 468 HD22 ASN 71 2HD2 ASN 71 9.164 -15.418 9.811 469 H ASN 72 H ASN 72 3.197 -15.294 8.220 470 HA ASN 72 HA ASN 72 1.325 -16.723 9.914 471 HB3 ASN 72 2HB ASN 72 -0.072 -14.649 10.115 472 HD21 ASN 72 1HD2 ASN 72 3.196 -13.389 10.126 473 HD22 ASN 72 2HD2 ASN 72 3.469 -13.432 11.836 474 H ALA 73 H ALA 73 2.268 -17.201 7.171 475 HA ALA 73 HA ALA 73 0.383 -16.055 5.355 476 HB1 ALA 73 1HB ALA 73 1.484 -18.096 3.977 477 HB2 ALA 73 2HB ALA 73 2.329 -16.551 4.245 478 HB3 ALA 73 3HB ALA 73 2.689 -17.955 5.280 479 H ASP 74 H ASP 74 0.043 -18.261 7.831 480 HA ASP 74 HA ASP 74 -1.625 -20.079 6.356 481 HB3 ASP 74 2HB ASP 74 -0.997 -19.861 9.339 482 HD2 ASP 74 HD ASP 74 -2.626 -20.824 10.356 483 H LYS 75 H LYS 75 -1.814 -17.654 9.060 484 HA LYS 75 HA LYS 75 -4.669 -17.836 9.188 485 HB3 LYS 75 2HB LYS 75 -3.768 -15.529 10.544 486 HG3 LYS 75 2HG LYS 75 -4.226 -16.915 12.547 487 HD3 LYS 75 2HD LYS 75 -6.437 -18.094 11.355 488 HE3 LYS 75 2HE LYS 75 -5.942 -15.196 12.171 489 HZ1 LYS 75 2HZ LYS 75 -8.636 -16.010 12.338 490 HZ3 LYS 75 1HZ LYS 75 -8.147 -16.216 10.799 491 H LEU 76 H LEU 76 -2.360 -15.153 8.343 492 HA LEU 76 HA LEU 76 -4.074 -13.318 7.435 493 HB3 LEU 76 2HB LEU 76 -2.265 -12.764 5.725 494 HG LEU 76 HG LEU 76 -1.305 -13.178 8.570 495 HD11 LEU 76 1HD1 LEU 76 0.646 -12.630 7.558 496 HD12 LEU 76 2HD1 LEU 76 -0.155 -11.831 6.184 497 HD13 LEU 76 3HD1 LEU 76 -0.008 -10.984 7.742 498 HD21 LEU 76 3HD2 LEU 76 -2.822 -11.678 9.178 499 HD22 LEU 76 1HD2 LEU 76 -1.965 -10.485 8.174 500 HD23 LEU 76 2HD2 LEU 76 -3.324 -11.411 7.491 501 H ALA 77 H ALA 77 -3.360 -16.455 5.943 502 HA ALA 77 HA ALA 77 -4.441 -15.867 3.411 503 HB1 ALA 77 1HB ALA 77 -4.748 -18.643 4.190 504 HB2 ALA 77 2HB ALA 77 -3.616 -17.921 3.021 505 HB3 ALA 77 3HB ALA 77 -3.173 -18.024 4.743 506 H ALA 78 H ALA 78 -5.848 -18.013 5.987 507 HA ALA 78 HA ALA 78 -8.333 -18.284 5.074 508 HB1 ALA 78 1HB ALA 78 -8.990 -18.714 7.319 509 HB2 ALA 78 2HB ALA 78 -7.252 -19.095 7.262 510 HB3 ALA 78 3HB ALA 78 -7.804 -17.559 7.972 511 H ILE 79 H ILE 79 -6.875 -15.296 6.329 512 HA ILE 79 HA ILE 79 -9.264 -13.885 6.733 513 HB ILE 79 HB ILE 79 -6.392 -13.352 6.647 514 HG13 ILE 79 2HG1 ILE 79 -8.036 -13.559 8.639 515 HG21 ILE 79 1HG2 ILE 79 -6.901 -10.809 6.493 516 HG22 ILE 79 2HG2 ILE 79 -6.702 -11.756 4.999 517 HG23 ILE 79 3HG2 ILE 79 -8.331 -11.326 5.568 518 HD11 ILE 79 3HD1 ILE 79 -5.561 -12.391 8.351 519 HD12 ILE 79 1HD1 ILE 79 -6.516 -11.026 8.977 520 HD13 ILE 79 2HD1 ILE 79 -6.419 -12.543 9.903 521 H ALA 80 H ALA 80 -6.950 -13.912 3.931 522 HA ALA 80 HA ALA 80 -8.908 -12.503 2.337 523 HB1 ALA 80 1HB ALA 80 -6.924 -13.028 0.614 524 HB2 ALA 80 2HB ALA 80 -6.803 -11.720 1.816 525 HB3 ALA 80 3HB ALA 80 -6.022 -13.289 2.127 526 H ALA 81 H ALA 81 -7.306 -15.742 2.504 527 HA ALA 81 HA ALA 81 -8.192 -16.944 0.287 528 HB1 ALA 81 1HB ALA 81 -7.422 -18.758 1.375 529 HB2 ALA 81 2HB ALA 81 -7.199 -17.714 2.799 530 HB3 ALA 81 3HB ALA 81 -8.704 -18.643 2.604 531 HA PRO 82 HA PRO 82 -8.996 -19.116 0.269 532 HB3 PRO 82 2HB PRO 82 -10.492 -20.840 -0.037 533 HG3 PRO 82 2HG PRO 82 -12.711 -20.216 0.038 534 HD3 PRO 82 2HD PRO 82 -12.552 -18.297 1.295 535 H ALA 83 H ALA 83 -10.170 -16.342 -0.958 536 HA ALA 83 HA ALA 83 -9.648 -16.258 -3.585 537 HB1 ALA 83 1HB ALA 83 -8.398 -13.954 -2.507 538 HB2 ALA 83 2HB ALA 83 -10.084 -14.118 -3.056 539 HB3 ALA 83 3HB ALA 83 -9.670 -14.415 -1.350 540 H GLU 84 H GLU 84 -7.712 -15.522 -4.849 541 HA GLU 84 HA GLU 84 -5.498 -17.137 -4.073 542 HB3 GLU 84 2HB GLU 84 -4.582 -16.052 -6.315 543 HG3 GLU 84 2HG GLU 84 -6.321 -17.591 -7.584 544 HE2 GLU 84 HE GLU 84 -5.583 -19.388 -4.861 545 H ILE 85 H ILE 85 -4.183 -16.340 -2.468 546 HA ILE 85 HA ILE 85 -3.498 -13.493 -2.620 547 HB ILE 85 HB ILE 85 -3.653 -15.478 -0.376 548 HG13 ILE 85 2HG1 ILE 85 -4.604 -12.648 -0.241 549 HG21 ILE 85 1HG2 ILE 85 -2.166 -12.838 -0.292 550 HG22 ILE 85 2HG2 ILE 85 -2.525 -13.888 1.099 551 HG23 ILE 85 3HG2 ILE 85 -1.438 -14.459 -0.189 552 HD11 ILE 85 3HD1 ILE 85 -6.768 -13.369 -1.267 553 HD12 ILE 85 1HD1 ILE 85 -5.435 -13.375 -2.446 554 HD13 ILE 85 2HD1 ILE 85 -6.009 -14.906 -1.742 555 H PHE 86 H PHE 86 -1.175 -12.981 -1.941 556 HA PHE 86 HA PHE 86 0.698 -15.104 -2.502 557 HB3 PHE 86 2HB PHE 86 1.753 -13.642 -4.315 558 HD1 PHE 86 1HD PHE 86 1.306 -15.926 -5.227 559 HD2 PHE 86 2HD PHE 86 -1.664 -12.895 -5.201 560 HE1 PHE 86 1HE PHE 86 -0.009 -17.200 -6.944 561 HE2 PHE 86 2HE PHE 86 -2.980 -14.170 -6.918 562 HZ PHE 86 HZ PHE 86 -2.136 -16.307 -7.769 563 H LEU 87 H LEU 87 3.036 -14.217 -2.301 564 HA LEU 87 HA LEU 87 3.011 -12.101 -0.262 565 HB3 LEU 87 2HB LEU 87 5.353 -13.733 -0.123 566 HG LEU 87 HG LEU 87 4.276 -12.472 1.777 567 HD11 LEU 87 1HD1 LEU 87 2.558 -14.159 2.975 568 HD12 LEU 87 2HD1 LEU 87 2.047 -12.832 1.902 569 HD13 LEU 87 3HD1 LEU 87 2.163 -14.494 1.273 570 HD21 LEU 87 3HD2 LEU 87 5.260 -15.282 1.890 571 HD22 LEU 87 1HD2 LEU 87 5.948 -13.790 2.576 572 HD23 LEU 87 2HD2 LEU 87 4.568 -14.584 3.374 573 H LEU 88 H LEU 88 3.708 -10.223 -1.129 574 HA LEU 88 HA LEU 88 5.257 -10.183 -3.499 575 HB3 LEU 88 2HB LEU 88 4.516 -8.023 -1.522 576 HG LEU 88 HG LEU 88 6.453 -7.383 -3.014 577 HD11 LEU 88 1HD1 LEU 88 4.463 -8.175 -5.095 578 HD12 LEU 88 2HD1 LEU 88 5.528 -6.787 -5.420 579 HD13 LEU 88 3HD1 LEU 88 6.230 -8.382 -5.056 580 HD21 LEU 88 3HD2 LEU 88 4.876 -5.382 -4.013 581 HD22 LEU 88 1HD2 LEU 88 3.883 -6.002 -2.673 582 HD23 LEU 88 2HD2 LEU 88 5.544 -5.443 -2.364 583 H GLU 89 H GLU 89 6.950 -11.733 -2.642 584 HA GLU 89 HA GLU 89 9.086 -11.966 -2.229 585 HB3 GLU 89 2HB GLU 89 9.636 -9.280 -1.064 586 HG3 GLU 89 2HG GLU 89 11.464 -10.803 -1.714 587 HE2 GLU 89 HE GLU 89 11.805 -12.248 -4.893 588 H ASP 90 H ASP 90 10.526 -10.534 0.060 589 HA ASP 90 HA ASP 90 8.994 -11.780 2.207 590 HB3 ASP 90 2HB ASP 90 10.942 -13.131 1.906 591 HD2 ASP 90 HD ASP 90 13.738 -12.975 1.710 592 H GLY 91 H GLY 91 8.087 -9.449 2.300 593 HA2 GLY 91 1HA GLY 91 7.983 -7.667 3.748 594 HA3 GLY 91 2HA GLY 91 9.666 -7.890 4.181 595 H ILE 92 H ILE 92 7.480 -6.751 1.544 596 HA ILE 92 HA ILE 92 7.995 -5.534 -0.294 597 HB ILE 92 HB ILE 92 7.424 -4.112 1.823 598 HG13 ILE 92 2HG1 ILE 92 6.823 -3.476 -0.430 599 HG21 ILE 92 1HG2 ILE 92 8.999 -2.684 2.675 600 HG22 ILE 92 2HG2 ILE 92 10.006 -4.114 2.348 601 HG23 ILE 92 3HG2 ILE 92 10.014 -2.742 1.213 602 HD11 ILE 92 3HD1 ILE 92 8.331 -1.218 0.969 603 HD12 ILE 92 1HD1 ILE 92 7.059 -1.018 -0.261 604 HD13 ILE 92 2HD1 ILE 92 6.660 -1.718 1.326 605 H ASP 93 H ASP 93 10.054 -7.459 0.106 606 HA ASP 93 HA ASP 93 12.469 -5.911 -0.290 607 HB3 ASP 93 2HB ASP 93 11.804 -8.703 0.548 608 HD2 ASP 93 HD ASP 93 15.141 -8.649 0.582 609 H GLY 94 H GLY 94 9.899 -7.007 -2.088 610 HA2 GLY 94 1HA GLY 94 11.439 -8.119 -4.317 611 HA3 GLY 94 2HA GLY 94 9.695 -8.087 -4.139 612 H TRP 95 H TRP 95 9.155 -5.401 -3.538 613 HA TRP 95 HA TRP 95 9.099 -4.234 -6.025 614 HB3 TRP 95 2HB TRP 95 8.986 -2.918 -3.306 615 HD1 TRP 95 HD TRP 95 8.976 -0.327 -3.546 616 HE1 TRP 95 1HE TRP 95 8.278 1.504 -5.313 617 HE3 TRP 95 3HE TRP 95 7.393 -3.605 -7.096 618 HZ2 TRP 95 2HZ TRP 95 7.167 1.379 -7.937 619 HZ3 TRP 95 3HZ TRP 95 6.515 -2.668 -9.232 620 HH2 TRP 95 HH TRP 95 6.388 -0.268 -9.682 621 H LYS 96 H LYS 96 11.137 -3.132 -3.212 622 HA LYS 96 HA LYS 96 12.780 -1.491 -4.692 623 HB3 LYS 96 2HB LYS 96 14.054 -2.841 -2.399 624 HG3 LYS 96 2HG LYS 96 14.034 -0.297 -3.679 625 HD3 LYS 96 2HD LYS 96 12.048 0.075 -2.011 626 HE3 LYS 96 2HE LYS 96 13.621 -1.042 -0.144 627 HZ1 LYS 96 2HZ LYS 96 14.570 0.895 1.147 628 HZ3 LYS 96 1HZ LYS 96 14.413 1.814 -0.188 629 H LYS 97 H LYS 97 12.676 -5.000 -4.448 630 HA LYS 97 HA LYS 97 15.243 -5.704 -5.042 631 HB3 LYS 97 2HB LYS 97 13.058 -7.154 -6.458 632 HG3 LYS 97 2HG LYS 97 14.425 -8.727 -4.530 633 HD3 LYS 97 2HD LYS 97 14.209 -8.482 -7.467 634 HE3 LYS 97 2HE LYS 97 16.832 -9.160 -6.190 635 HZ1 LYS 97 2HZ LYS 97 17.199 -10.755 -8.088 636 HZ3 LYS 97 1HZ LYS 97 15.588 -10.807 -8.320 637 H ALA 98 H ALA 98 12.640 -4.619 -7.304 638 HA ALA 98 HA ALA 98 14.532 -4.704 -9.499 639 HB1 ALA 98 1HB ALA 98 12.638 -5.143 -10.620 640 HB2 ALA 98 2HB ALA 98 11.678 -4.864 -9.147 641 HB3 ALA 98 3HB ALA 98 12.050 -3.507 -10.237 642 H GLY 99 H GLY 99 14.723 -2.838 -7.046 643 HA2 GLY 99 1HA GLY 99 15.148 -0.669 -6.601 644 HA3 GLY 99 2HA GLY 99 15.863 -0.650 -8.200 645 H LEU 100 H LEU 100 12.401 -1.054 -7.192 646 HA LEU 100 HA LEU 100 11.755 1.142 -9.006 647 HB3 LEU 100 2HB LEU 100 9.544 0.265 -9.055 648 HG LEU 100 HG LEU 100 11.753 -1.627 -9.530 649 HD11 LEU 100 1HD1 LEU 100 9.043 -2.602 -8.720 650 HD12 LEU 100 2HD1 LEU 100 9.909 -3.438 -10.031 651 HD13 LEU 100 3HD1 LEU 100 10.652 -3.301 -8.420 652 HD21 LEU 100 3HD2 LEU 100 11.125 -1.399 -11.673 653 HD22 LEU 100 1HD2 LEU 100 9.395 -1.585 -11.298 654 HD23 LEU 100 2HD2 LEU 100 10.191 -0.010 -11.067 655 HA PRO 101 HA PRO 101 11.054 3.680 -5.563 656 HB3 PRO 101 2HB PRO 101 11.679 5.558 -6.740 657 HG3 PRO 101 2HG PRO 101 11.630 5.318 -9.033 658 HD3 PRO 101 2HD PRO 101 11.862 3.038 -9.210 659 H VAL 102 H VAL 102 9.578 3.922 -3.965 660 HA VAL 102 HA VAL 102 7.011 2.797 -4.592 661 HB VAL 102 HB VAL 102 7.451 4.044 -1.964 662 HG11 VAL 102 1HG1 VAL 102 6.925 1.131 -2.519 663 HG12 VAL 102 2HG1 VAL 102 6.376 2.141 -1.161 664 HG13 VAL 102 3HG1 VAL 102 5.648 2.346 -2.773 665 HG21 VAL 102 3HG2 VAL 102 9.685 3.485 -2.016 666 HG22 VAL 102 1HG2 VAL 102 8.986 1.963 -1.416 667 HG23 VAL 102 2HG2 VAL 102 9.434 2.121 -3.131 668 H ALA 103 H ALA 103 5.068 4.077 -3.377 669 HA ALA 103 HA ALA 103 4.854 6.515 -4.875 670 HB1 ALA 103 1HB ALA 103 2.660 6.022 -4.753 671 HB2 ALA 103 2HB ALA 103 3.119 4.523 -3.910 672 HB3 ALA 103 3HB ALA 103 2.708 5.980 -2.974 673 H VAL 104 H VAL 104 6.848 7.373 -3.598 674 HA VAL 104 HA VAL 104 5.964 8.469 -1.028 675 HB VAL 104 HB VAL 104 8.122 7.053 -1.417 676 HG11 VAL 104 1HG1 VAL 104 9.233 9.784 -2.104 677 HG12 VAL 104 2HG1 VAL 104 10.073 8.216 -2.102 678 HG13 VAL 104 3HG1 VAL 104 8.841 8.565 -3.339 679 HG21 VAL 104 3HG2 VAL 104 9.293 8.888 0.203 680 HG22 VAL 104 1HG2 VAL 104 7.597 9.419 0.291 681 HG23 VAL 104 2HG2 VAL 104 8.031 7.751 0.735 682 H ASN 105 H ASN 105 5.967 10.709 -0.657 683 HA ASN 105 HA ASN 105 5.681 12.795 -1.177 684 HB3 ASN 105 2HB ASN 105 7.435 13.315 -3.369 685 HD21 ASN 105 1HD2 ASN 105 9.721 12.880 -1.265 686 HD22 ASN 105 2HD2 ASN 105 9.580 14.253 -0.219 687 H LYS 106 H LYS 106 3.598 12.917 -2.133 688 HA LYS 106 HA LYS 106 2.915 11.862 -4.599 689 HB3 LYS 106 2HB LYS 106 1.518 14.296 -3.565 690 HG3 LYS 106 2HG LYS 106 -0.318 12.300 -3.812 691 HD3 LYS 106 2HD LYS 106 0.871 13.956 -6.087 692 HE3 LYS 106 2HE LYS 106 -1.787 13.684 -6.666 693 HZ1 LYS 106 2HZ LYS 106 0.528 12.911 -7.824 694 HZ3 LYS 106 1HZ LYS 106 -0.940 12.655 -8.482 695 H SER 107 H SER 107 3.378 15.388 -3.832 696 HA SER 107 HA SER 107 3.454 16.135 -6.480 697 HB3 SER 107 2HB SER 107 5.071 17.710 -4.506 698 HG SER 107 HG SER 107 4.036 19.418 -5.479 699 H GLN 108 H GLN 108 6.245 15.924 -4.140 700 HA GLN 108 HA GLN 108 8.127 16.119 -6.208 701 HB3 GLN 108 2HB GLN 108 9.005 14.848 -3.669 702 HG3 GLN 108 2HG GLN 108 10.542 15.936 -5.336 703 HE21 GLN 108 1HE2 GLN 108 9.588 18.629 -3.296 704 HE22 GLN 108 2HE2 GLN 108 9.259 19.778 -4.549 Start of MODEL 5 1 H1 ALA 1 H ALA 1 -3.940 -18.880 -1.362 2 HA ALA 1 HA ALA 1 -2.361 -21.135 -1.403 3 HB1 ALA 1 1HB ALA 1 -2.363 -21.922 -3.508 4 HB2 ALA 1 2HB ALA 1 -3.735 -20.844 -3.859 5 HB3 ALA 1 3HB ALA 1 -2.069 -20.295 -4.166 6 H LEU 2 H LEU 2 -1.374 -19.578 0.057 7 HA LEU 2 HA LEU 2 -0.634 -17.044 -0.461 8 HB3 LEU 2 2HB LEU 2 1.478 -17.730 0.936 9 HG LEU 2 HG LEU 2 0.319 -17.627 2.978 10 HD11 LEU 2 1HD1 LEU 2 0.045 -15.678 1.274 11 HD12 LEU 2 2HD1 LEU 2 -1.662 -16.184 1.243 12 HD13 LEU 2 3HD1 LEU 2 -0.911 -15.681 2.775 13 HD21 LEU 2 3HD2 LEU 2 -1.329 -19.538 2.025 14 HD22 LEU 2 1HD2 LEU 2 -1.660 -18.581 3.490 15 HD23 LEU 2 2HD2 LEU 2 -2.411 -18.127 1.942 16 H THR 3 H THR 3 2.115 -19.316 -0.575 17 HA THR 3 HA THR 3 3.744 -19.610 -2.062 18 HB THR 3 HB THR 3 1.367 -18.943 -3.760 19 HG1 THR 3 1HG THR 3 2.036 -21.113 -3.121 20 HG21 THR 3 3HG2 THR 3 4.196 -19.110 -4.920 21 HG22 THR 3 1HG2 THR 3 2.677 -18.965 -5.837 22 HG23 THR 3 2HG2 THR 3 3.249 -17.605 -4.842 23 H THR 4 H THR 4 5.409 -18.450 -3.359 24 HA THR 4 HA THR 4 5.333 -15.578 -2.701 25 HB THR 4 HB THR 4 7.944 -16.023 -2.655 26 HG1 THR 4 1HG THR 4 8.254 -18.328 -2.061 27 HG21 THR 4 3HG2 THR 4 7.842 -16.846 -0.296 28 HG22 THR 4 1HG2 THR 4 6.655 -15.547 -0.564 29 HG23 THR 4 2HG2 THR 4 6.121 -17.244 -0.515 30 H ILE 5 H ILE 5 5.798 -14.107 -4.270 31 HA ILE 5 HA ILE 5 6.506 -15.260 -6.878 32 HB ILE 5 HB ILE 5 4.553 -14.542 -7.596 33 HG13 ILE 5 2HG1 ILE 5 4.439 -12.376 -8.398 34 HG21 ILE 5 1HG2 ILE 5 3.656 -14.604 -5.339 35 HG22 ILE 5 2HG2 ILE 5 4.251 -12.955 -5.031 36 HG23 ILE 5 3HG2 ILE 5 2.973 -13.229 -6.240 37 HD11 ILE 5 3HD1 ILE 5 4.217 -11.044 -6.432 38 HD12 ILE 5 1HD1 ILE 5 5.784 -11.587 -5.788 39 HD13 ILE 5 2HD1 ILE 5 5.731 -10.483 -7.182 40 H SER 6 H SER 6 7.950 -14.033 -8.199 41 HA SER 6 HA SER 6 9.752 -12.503 -6.614 42 HB3 SER 6 2HB SER 6 11.270 -13.084 -8.201 43 HG SER 6 HG SER 6 10.603 -15.084 -8.592 44 HA PRO 7 HA PRO 7 8.678 -8.537 -8.091 45 HB3 PRO 7 2HB PRO 7 10.562 -7.505 -7.263 46 HG3 PRO 7 2HG PRO 7 12.416 -8.868 -7.104 47 HD3 PRO 7 2HD PRO 7 11.399 -10.925 -6.970 48 H HIS 8 H HIS 8 8.760 -6.783 -9.917 49 HA HIS 8 HA HIS 8 8.378 -6.303 -12.028 50 HB3 HIS 8 2HB HIS 8 9.512 -8.927 -12.971 51 HD1 HIS 8 1HD HIS 8 10.912 -5.496 -13.662 52 HD2 HIS 8 2HD HIS 8 8.456 -8.339 -15.527 53 HE1 HIS 8 1HE HIS 8 10.659 -4.742 -16.087 54 H ASP 9 H ASP 9 7.887 -9.889 -11.645 55 HA ASP 9 HA ASP 9 5.759 -10.077 -13.327 56 HB3 ASP 9 2HB ASP 9 5.129 -11.931 -11.384 57 HD2 ASP 9 HD ASP 9 8.301 -11.976 -12.700 58 H ALA 10 H ALA 10 5.937 -9.252 -9.811 59 HA ALA 10 HA ALA 10 3.144 -9.206 -9.394 60 HB1 ALA 10 1HB ALA 10 5.627 -8.643 -7.931 61 HB2 ALA 10 2HB ALA 10 4.306 -7.532 -7.494 62 HB3 ALA 10 3HB ALA 10 4.078 -9.290 -7.340 63 H GLN 11 H GLN 11 5.617 -6.750 -10.312 64 HA GLN 11 HA GLN 11 4.039 -4.531 -10.046 65 HB3 GLN 11 2HB GLN 11 6.160 -5.017 -12.185 66 HG3 GLN 11 2HG GLN 11 5.829 -2.400 -10.771 67 HE21 GLN 11 1HE2 GLN 11 6.023 -0.661 -12.433 68 HE22 GLN 11 2HE2 GLN 11 7.111 -0.910 -13.757 69 H GLU 12 H GLU 12 3.718 -7.192 -12.233 70 HA GLU 12 HA GLU 12 2.350 -5.619 -14.213 71 HB3 GLU 12 2HB GLU 12 2.083 -8.501 -14.556 72 HG3 GLU 12 2HG GLU 12 4.055 -7.044 -16.211 73 HE2 GLU 12 HE GLU 12 3.418 -9.664 -17.600 74 H LEU 13 H LEU 13 1.517 -8.643 -12.357 75 HA LEU 13 HA LEU 13 -1.146 -8.662 -12.775 76 HB3 LEU 13 2HB LEU 13 -0.209 -10.476 -11.679 77 HG LEU 13 HG LEU 13 1.528 -8.827 -10.379 78 HD11 LEU 13 1HD1 LEU 13 -0.240 -8.129 -8.786 79 HD12 LEU 13 2HD1 LEU 13 -0.372 -9.817 -8.236 80 HD13 LEU 13 3HD1 LEU 13 1.147 -8.919 -8.001 81 HD21 LEU 13 3HD2 LEU 13 2.006 -10.985 -8.972 82 HD22 LEU 13 1HD2 LEU 13 0.770 -11.706 -10.030 83 HD23 LEU 13 2HD2 LEU 13 2.237 -10.987 -10.737 84 H ILE 14 H ILE 14 0.625 -6.757 -10.262 85 HA ILE 14 HA ILE 14 -1.578 -5.685 -9.003 86 HB ILE 14 HB ILE 14 1.261 -5.260 -9.112 87 HG13 ILE 14 2HG1 ILE 14 -0.518 -5.948 -7.237 88 HG21 ILE 14 1HG2 ILE 14 0.638 -3.112 -10.174 89 HG22 ILE 14 2HG2 ILE 14 -0.368 -2.731 -8.756 90 HG23 ILE 14 3HG2 ILE 14 1.393 -2.911 -8.574 91 HD11 ILE 14 3HD1 ILE 14 1.291 -5.023 -5.554 92 HD12 ILE 14 1HD1 ILE 14 1.752 -6.285 -6.721 93 HD13 ILE 14 2HD1 ILE 14 2.177 -4.585 -7.034 94 H ALA 15 H ALA 15 0.043 -4.753 -12.064 95 HA ALA 15 HA ALA 15 -1.643 -2.433 -12.345 96 HB1 ALA 15 1HB ALA 15 0.348 -1.954 -13.353 97 HB2 ALA 15 2HB ALA 15 0.700 -3.662 -13.707 98 HB3 ALA 15 3HB ALA 15 -0.415 -2.749 -14.752 99 H ARG 16 H ARG 16 -2.408 -5.574 -12.346 100 HA ARG 16 HA ARG 16 -4.014 -5.356 -14.762 101 HB3 ARG 16 2HB ARG 16 -4.205 -7.860 -14.625 102 HG3 ARG 16 2HG ARG 16 -1.552 -8.250 -14.723 103 HD3 ARG 16 2HD ARG 16 -3.002 -6.435 -16.712 104 HE ARG 16 HE ARG 16 -0.414 -7.809 -16.804 105 HH11 ARG 16 2HH2 ARG 16 -3.101 -6.568 -18.751 106 HH12 ARG 16 1HH2 ARG 16 -2.156 -6.431 -20.195 107 HH22 ARG 16 1HH ARG 16 0.156 -7.061 -20.148 108 H GLY 17 H GLY 17 -3.975 -6.218 -11.261 109 HA2 GLY 17 1HA GLY 17 -6.430 -5.141 -10.634 110 HA3 GLY 17 2HA GLY 17 -6.763 -6.800 -11.091 111 H ALA 18 H ALA 18 -4.068 -7.796 -10.200 112 HA ALA 18 HA ALA 18 -4.642 -8.759 -7.760 113 HB1 ALA 18 1HB ALA 18 -2.711 -9.743 -8.372 114 HB2 ALA 18 2HB ALA 18 -2.262 -8.369 -9.411 115 HB3 ALA 18 3HB ALA 18 -1.875 -8.335 -7.674 116 H LYS 19 H LYS 19 -5.334 -7.726 -5.954 117 HA LYS 19 HA LYS 19 -4.292 -5.059 -5.429 118 HB3 LYS 19 2HB LYS 19 -6.220 -5.956 -3.495 119 HG3 LYS 19 2HG LYS 19 -6.034 -3.624 -3.986 120 HD3 LYS 19 2HD LYS 19 -5.944 -4.592 -6.827 121 HE3 LYS 19 2HE LYS 19 -7.670 -3.161 -7.384 122 HZ1 LYS 19 2HZ LYS 19 -8.556 -1.604 -5.930 123 HZ3 LYS 19 1HZ LYS 19 -7.137 -1.248 -5.214 124 H LEU 20 H LEU 20 -2.797 -4.617 -3.878 125 HA LEU 20 HA LEU 20 -1.919 -6.907 -2.279 126 HB3 LEU 20 2HB LEU 20 -0.581 -4.551 -3.494 127 HG LEU 20 HG LEU 20 0.499 -5.944 -1.028 128 HD11 LEU 20 1HD1 LEU 20 1.872 -3.988 -2.892 129 HD12 LEU 20 2HD1 LEU 20 2.546 -4.673 -1.393 130 HD13 LEU 20 3HD1 LEU 20 2.201 -5.733 -2.780 131 HD21 LEU 20 3HD2 LEU 20 -0.821 -3.369 -1.446 132 HD22 LEU 20 1HD2 LEU 20 -0.478 -4.258 0.058 133 HD23 LEU 20 2HD2 LEU 20 0.774 -3.221 -0.669 134 H ILE 21 H ILE 21 -1.818 -6.806 -0.026 135 HA ILE 21 HA ILE 21 -3.204 -4.480 1.104 136 HB ILE 21 HB ILE 21 -2.971 -7.266 2.241 137 HG13 ILE 21 2HG1 ILE 21 -5.411 -7.424 1.573 138 HG21 ILE 21 1HG2 ILE 21 -5.058 -5.274 3.032 139 HG22 ILE 21 2HG2 ILE 21 -4.331 -6.606 3.963 140 HG23 ILE 21 3HG2 ILE 21 -3.411 -5.108 3.687 141 HD11 ILE 21 3HD1 ILE 21 -4.551 -5.085 -0.191 142 HD12 ILE 21 1HD1 ILE 21 -6.020 -6.059 -0.447 143 HD13 ILE 21 2HD1 ILE 21 -5.850 -5.073 1.026 144 H ASP 22 H ASP 22 -2.337 -3.420 2.925 145 HA ASP 22 HA ASP 22 0.485 -3.996 3.271 146 HB3 ASP 22 2HB ASP 22 0.769 -1.733 3.850 147 HD2 ASP 22 HD ASP 22 -1.823 -1.588 0.845 148 H ILE 23 H ILE 23 -0.039 -5.860 4.747 149 HA ILE 23 HA ILE 23 -1.494 -5.292 7.153 150 HB ILE 23 HB ILE 23 -1.225 -7.567 7.653 151 HG13 ILE 23 2HG1 ILE 23 1.314 -7.279 6.275 152 HG21 ILE 23 1HG2 ILE 23 -2.205 -6.711 5.160 153 HG22 ILE 23 2HG2 ILE 23 -1.313 -8.220 4.847 154 HG23 ILE 23 3HG2 ILE 23 -2.625 -8.193 6.052 155 HD11 ILE 23 3HD1 ILE 23 1.775 -8.267 8.264 156 HD12 ILE 23 1HD1 ILE 23 0.069 -8.715 8.505 157 HD13 ILE 23 2HD1 ILE 23 1.143 -9.776 7.563 158 H ARG 24 H ARG 24 0.318 -3.337 7.141 159 HA ARG 24 HA ARG 24 2.352 -4.333 8.972 160 HB3 ARG 24 2HB ARG 24 3.830 -3.469 7.452 161 HG3 ARG 24 2HG ARG 24 1.377 -2.081 6.326 162 HD3 ARG 24 2HD ARG 24 3.817 -1.817 4.703 163 HE ARG 24 HE ARG 24 1.535 -0.088 5.495 164 HH11 ARG 24 2HH2 ARG 24 4.405 -0.523 3.462 165 HH12 ARG 24 1HH2 ARG 24 3.959 0.727 2.350 166 HH22 ARG 24 1HH ARG 24 1.923 1.940 2.701 167 H ASP 25 H ASP 25 1.637 -0.920 8.108 168 HA ASP 25 HA ASP 25 0.025 -0.555 10.429 169 HB3 ASP 25 2HB ASP 25 2.147 1.425 10.586 170 HD2 ASP 25 HD ASP 25 2.476 -0.214 13.914 171 H ALA 26 H ALA 26 0.348 2.305 10.616 172 HA ALA 26 HA ALA 26 -0.584 3.081 7.951 173 HB1 ALA 26 1HB ALA 26 -0.994 5.082 9.988 174 HB2 ALA 26 2HB ALA 26 -2.206 4.147 9.080 175 HB3 ALA 26 3HB ALA 26 -1.542 3.502 10.601 176 H ASP 27 H ASP 27 1.787 3.776 10.545 177 HA ASP 27 HA ASP 27 2.729 6.161 9.639 178 HB3 ASP 27 2HB ASP 27 4.948 5.376 10.673 179 HD2 ASP 27 HD ASP 27 3.668 7.126 11.646 180 H GLU 28 H GLU 28 3.244 2.823 8.473 181 HA GLU 28 HA GLU 28 5.517 3.305 6.955 182 HB3 GLU 28 2HB GLU 28 5.017 1.170 5.883 183 HG3 GLU 28 2HG GLU 28 4.944 -0.215 7.796 184 HE2 GLU 28 HE GLU 28 6.570 1.655 10.428 185 H TYR 29 H TYR 29 2.048 2.986 5.882 186 HA TYR 29 HA TYR 29 2.417 3.708 3.262 187 HB3 TYR 29 2HB TYR 29 0.181 4.341 5.288 188 HD1 TYR 29 2HD TYR 29 -0.199 2.742 1.989 189 HD2 TYR 29 1HD TYR 29 -0.691 6.351 4.233 190 HE1 TYR 29 2HE TYR 29 -1.635 3.712 0.128 191 HE2 TYR 29 1HE TYR 29 -2.126 7.308 2.365 192 HH TYR 29 HH TYR 29 -3.552 6.423 0.560 193 H LEU 30 H LEU 30 2.759 5.676 6.121 194 HA LEU 30 HA LEU 30 1.965 8.148 5.289 195 HB3 LEU 30 2HB LEU 30 4.543 7.784 6.768 196 HG LEU 30 HG LEU 30 3.496 9.418 8.336 197 HD11 LEU 30 1HD1 LEU 30 4.418 11.146 7.226 198 HD12 LEU 30 2HD1 LEU 30 4.902 9.884 6.068 199 HD13 LEU 30 3HD1 LEU 30 3.451 10.867 5.759 200 HD21 LEU 30 3HD2 LEU 30 1.427 9.895 6.185 201 HD22 LEU 30 1HD2 LEU 30 1.131 8.870 7.610 202 HD23 LEU 30 2HD2 LEU 30 1.512 10.596 7.820 203 H ARG 31 H ARG 31 5.458 7.185 5.165 204 HA ARG 31 HA ARG 31 5.852 9.062 3.088 205 HB3 ARG 31 2HB ARG 31 8.218 7.802 3.124 206 HG3 ARG 31 2HG ARG 31 6.955 9.753 4.990 207 HD3 ARG 31 2HD ARG 31 9.621 8.417 5.673 208 HE ARG 31 HE ARG 31 8.475 10.969 6.454 209 HH11 ARG 31 2HH2 ARG 31 10.394 8.250 7.669 210 HH12 ARG 31 1HH2 ARG 31 11.178 9.191 8.896 211 HH22 ARG 31 1HH ARG 31 10.642 11.517 9.113 212 H GLU 32 H GLU 32 6.569 5.490 3.318 213 HA GLU 32 HA GLU 32 6.688 5.270 0.510 214 HB3 GLU 32 2HB GLU 32 6.928 2.827 0.975 215 HG3 GLU 32 2HG GLU 32 8.680 4.880 1.720 216 HE2 GLU 32 HE GLU 32 9.379 2.629 4.889 217 H HIS 33 H HIS 33 5.324 3.241 -0.476 218 HA HIS 33 HA HIS 33 2.606 3.307 0.510 219 HB3 HIS 33 2HB HIS 33 3.512 4.593 -2.023 220 HD1 HIS 33 1HD HIS 33 -0.082 3.769 -1.097 221 HD2 HIS 33 2HD HIS 33 2.672 3.039 -4.175 222 HE1 HIS 33 1HE HIS 33 -1.401 2.683 -2.992 223 H ILE 34 H ILE 34 5.095 2.102 -1.777 224 HA ILE 34 HA ILE 34 5.581 -0.041 -2.238 225 HB ILE 34 HB ILE 34 3.755 -0.395 -0.172 226 HG13 ILE 34 2HG1 ILE 34 5.684 -1.566 0.102 227 HG21 ILE 34 1HG2 ILE 34 3.002 -2.562 -2.040 228 HG22 ILE 34 2HG2 ILE 34 2.057 -1.750 -0.770 229 HG23 ILE 34 3HG2 ILE 34 2.268 -0.972 -2.357 230 HD11 ILE 34 3HD1 ILE 34 3.570 -3.176 0.062 231 HD12 ILE 34 1HD1 ILE 34 4.366 -3.839 -1.386 232 HD13 ILE 34 2HD1 ILE 34 5.211 -3.856 0.180 233 HA PRO 35 HA PRO 35 3.545 -0.475 -6.022 234 HB3 PRO 35 2HB PRO 35 5.065 -2.008 -6.825 235 HG3 PRO 35 2HG PRO 35 6.127 -3.253 -5.198 236 HD3 PRO 35 2HD PRO 35 5.920 -1.835 -3.400 237 H GLU 36 H GLU 36 1.487 0.298 -5.421 238 HA GLU 36 HA GLU 36 -0.683 0.115 -5.467 239 HB3 GLU 36 2HB GLU 36 -1.293 -2.655 -5.824 240 HG3 GLU 36 2HG GLU 36 -2.388 -0.609 -6.872 241 HE2 GLU 36 HE GLU 36 -1.903 0.337 -9.624 242 H ALA 37 H ALA 37 -1.085 0.613 -3.305 243 HA ALA 37 HA ALA 37 -1.748 -1.671 -1.631 244 HB1 ALA 37 1HB ALA 37 -0.320 0.400 -0.125 245 HB2 ALA 37 2HB ALA 37 -0.100 -1.367 -0.121 246 HB3 ALA 37 3HB ALA 37 0.708 -0.372 -1.356 247 H ASP 38 H ASP 38 -3.487 -1.248 -0.249 248 HA ASP 38 HA ASP 38 -4.602 1.421 -0.600 249 HB3 ASP 38 2HB ASP 38 -6.366 -0.705 0.484 250 HD2 ASP 38 HD ASP 38 -7.874 0.682 0.625 251 H LEU 39 H LEU 39 -2.616 0.060 1.461 252 HA LEU 39 HA LEU 39 -2.209 0.088 3.631 253 HB3 LEU 39 2HB LEU 39 -4.200 2.351 3.506 254 HG LEU 39 HG LEU 39 -4.136 2.004 5.811 255 HD11 LEU 39 1HD1 LEU 39 -2.313 1.208 7.100 256 HD12 LEU 39 2HD1 LEU 39 -2.404 0.171 5.657 257 HD13 LEU 39 3HD1 LEU 39 -1.165 1.444 5.760 258 HD21 LEU 39 3HD2 LEU 39 -3.605 4.135 6.122 259 HD22 LEU 39 1HD2 LEU 39 -1.907 3.641 6.323 260 HD23 LEU 39 2HD2 LEU 39 -2.510 4.120 4.719 261 H ALA 40 H ALA 40 -2.727 -1.743 4.703 262 HA ALA 40 HA ALA 40 -5.283 -1.879 5.996 263 HB1 ALA 40 1HB ALA 40 -6.294 -3.041 4.341 264 HB2 ALA 40 2HB ALA 40 -4.759 -3.314 3.482 265 HB3 ALA 40 3HB ALA 40 -5.237 -4.392 4.814 266 HA PRO 41 HA PRO 41 -1.825 -3.687 8.234 267 HB3 PRO 41 2HB PRO 41 -1.146 -1.787 9.344 268 HG3 PRO 41 2HG PRO 41 -2.581 0.008 9.150 269 HD3 PRO 41 2HD PRO 41 -3.645 -0.531 7.184 270 H LEU 42 H LEU 42 -1.676 -5.282 9.898 271 HA LEU 42 HA LEU 42 -3.741 -7.011 9.941 272 HB3 LEU 42 2HB LEU 42 -2.217 -6.762 12.469 273 HG LEU 42 HG LEU 42 -3.328 -8.859 12.095 274 HD11 LEU 42 1HD1 LEU 42 -3.800 -9.301 9.941 275 HD12 LEU 42 2HD1 LEU 42 -2.316 -8.523 9.340 276 HD13 LEU 42 3HD1 LEU 42 -2.253 -10.181 9.985 277 HD21 LEU 42 3HD2 LEU 42 -1.324 -9.216 13.235 278 HD22 LEU 42 1HD2 LEU 42 -1.277 -10.406 11.912 279 HD23 LEU 42 2HD2 LEU 42 -0.331 -8.903 11.792 280 H SER 43 H SER 43 -3.136 -4.389 12.375 281 HA SER 43 HA SER 43 -5.112 -4.822 14.080 282 HB3 SER 43 2HB SER 43 -5.127 -1.993 13.302 283 HG SER 43 HG SER 43 -4.322 -3.587 15.546 284 H VAL 44 H VAL 44 -5.435 -3.875 10.690 285 HA VAL 44 HA VAL 44 -8.240 -3.210 11.024 286 HB VAL 44 HB VAL 44 -6.408 -3.257 8.617 287 HG11 VAL 44 1HG1 VAL 44 -9.032 -3.566 8.374 288 HG12 VAL 44 2HG1 VAL 44 -9.027 -1.804 8.633 289 HG13 VAL 44 3HG1 VAL 44 -8.116 -2.507 7.275 290 HG21 VAL 44 3HG2 VAL 44 -7.345 -1.052 10.465 291 HG22 VAL 44 1HG2 VAL 44 -5.680 -1.509 10.030 292 HG23 VAL 44 2HG2 VAL 44 -6.732 -0.725 8.826 293 H LEU 45 H LEU 45 -6.110 -5.726 9.563 294 HA LEU 45 HA LEU 45 -8.131 -7.196 8.345 295 HB3 LEU 45 2HB LEU 45 -6.471 -9.078 8.536 296 HG LEU 45 HG LEU 45 -4.508 -7.522 7.478 297 HD11 LEU 45 1HD1 LEU 45 -6.899 -8.913 6.396 298 HD12 LEU 45 2HD1 LEU 45 -6.029 -7.824 5.290 299 HD13 LEU 45 3HD1 LEU 45 -5.167 -9.170 6.072 300 HD21 LEU 45 3HD2 LEU 45 -5.450 -5.399 7.791 301 HD22 LEU 45 1HD2 LEU 45 -5.780 -5.793 6.086 302 HD23 LEU 45 2HD2 LEU 45 -7.072 -5.943 7.302 303 H GLU 46 H GLU 46 -6.826 -7.233 11.701 304 HA GLU 46 HA GLU 46 -8.478 -9.427 12.413 305 HB3 GLU 46 2HB GLU 46 -7.682 -8.223 14.795 306 HG3 GLU 46 2HG GLU 46 -5.509 -9.816 13.714 307 HE2 GLU 46 HE GLU 46 -4.979 -10.000 15.789 308 H GLN 47 H GLN 47 -8.702 -5.884 12.422 309 HA GLN 47 HA GLN 47 -10.870 -5.808 14.234 310 HB3 GLN 47 2HB GLN 47 -11.060 -3.415 13.029 311 HG3 GLN 47 2HG GLN 47 -9.038 -2.695 14.470 312 HE21 GLN 47 1HE2 GLN 47 -9.279 -2.617 16.848 313 HE22 GLN 47 2HE2 GLN 47 -10.859 -2.789 17.533 314 H SER 48 H SER 48 -10.462 -6.027 10.688 315 HA SER 48 HA SER 48 -13.329 -6.477 10.538 316 HB3 SER 48 2HB SER 48 -12.135 -5.158 8.158 317 HG SER 48 HG SER 48 -14.426 -5.499 8.372 318 H GLY 49 H GLY 49 -10.471 -6.355 8.279 319 HA2 GLY 49 1HA GLY 49 -9.473 -8.593 7.801 320 HA3 GLY 49 2HA GLY 49 -11.112 -9.139 7.504 321 H LEU 50 H LEU 50 -9.914 -9.670 5.345 322 HA LEU 50 HA LEU 50 -8.984 -7.878 3.573 323 HB3 LEU 50 2HB LEU 50 -10.834 -10.203 3.029 324 HG LEU 50 HG LEU 50 -8.841 -8.837 1.201 325 HD11 LEU 50 1HD1 LEU 50 -8.435 -11.112 0.850 326 HD12 LEU 50 2HD1 LEU 50 -10.150 -11.548 1.043 327 HD13 LEU 50 3HD1 LEU 50 -9.611 -10.679 -0.414 328 HD21 LEU 50 3HD2 LEU 50 -11.250 -9.241 -0.142 329 HD22 LEU 50 1HD2 LEU 50 -11.726 -8.683 1.479 330 HD23 LEU 50 2HD2 LEU 50 -10.616 -7.704 0.491 331 HA PRO 51 HA PRO 51 -12.368 -5.153 3.113 332 HB3 PRO 51 2HB PRO 51 -11.041 -3.295 3.417 333 HG3 PRO 51 2HG PRO 51 -8.776 -3.688 3.227 334 HD3 PRO 51 2HD PRO 51 -8.708 -5.932 3.721 335 H ALA 52 H ALA 52 -14.090 -5.245 1.812 336 HA ALA 52 HA ALA 52 -14.193 -6.812 -0.354 337 HB1 ALA 52 1HB ALA 52 -15.733 -4.580 0.748 338 HB2 ALA 52 2HB ALA 52 -15.884 -4.686 -1.022 339 HB3 ALA 52 3HB ALA 52 -16.299 -6.089 -0.009 340 H LYS 53 H LYS 53 -13.695 -3.210 -0.556 341 HA LYS 53 HA LYS 53 -13.291 -2.913 -3.175 342 HB3 LYS 53 2HB LYS 53 -13.163 -0.959 -1.967 343 HG3 LYS 53 2HG LYS 53 -10.864 -1.233 -0.261 344 HD3 LYS 53 2HD LYS 53 -12.843 -1.132 1.509 345 HE3 LYS 53 2HE LYS 53 -11.636 0.861 -0.275 346 HZ1 LYS 53 2HZ LYS 53 -14.174 1.160 -0.571 347 HZ3 LYS 53 1HZ LYS 53 -13.301 2.481 -0.191 348 H LEU 54 H LEU 54 -10.688 -3.914 -0.844 349 HA LEU 54 HA LEU 54 -9.069 -4.702 -3.129 350 HB3 LEU 54 2HB LEU 54 -7.260 -4.859 -1.577 351 HG LEU 54 HG LEU 54 -6.901 -2.678 -1.191 352 HD11 LEU 54 1HD1 LEU 54 -8.107 -1.232 -2.580 353 HD12 LEU 54 2HD1 LEU 54 -8.319 -2.836 -3.321 354 HD13 LEU 54 3HD1 LEU 54 -9.630 -2.125 -2.350 355 HD21 LEU 54 3HD2 LEU 54 -8.618 -1.187 -0.026 356 HD22 LEU 54 1HD2 LEU 54 -9.543 -2.680 0.266 357 HD23 LEU 54 2HD2 LEU 54 -7.899 -2.508 0.925 358 H ARG 55 H ARG 55 -11.316 -6.238 -3.090 359 HA ARG 55 HA ARG 55 -10.397 -8.675 -1.791 360 HB3 ARG 55 2HB ARG 55 -12.702 -7.658 -1.152 361 HG3 ARG 55 2HG ARG 55 -13.052 -7.693 -3.945 362 HD3 ARG 55 2HD ARG 55 -15.325 -9.313 -3.416 363 HE ARG 55 HE ARG 55 -13.078 -9.332 -5.273 364 HH11 ARG 55 2HH2 ARG 55 -15.870 -11.210 -4.163 365 HH12 ARG 55 1HH2 ARG 55 -16.014 -12.101 -5.642 366 HH22 ARG 55 1HH ARG 55 -14.476 -11.671 -7.427 367 H HIS 56 H HIS 56 -10.007 -7.223 -4.614 368 HA HIS 56 HA HIS 56 -11.178 -8.468 -6.650 369 HB3 HIS 56 2HB HIS 56 -8.216 -7.887 -6.373 370 HD1 HIS 56 1HD HIS 56 -10.690 -7.283 -9.217 371 HD2 HIS 56 2HD HIS 56 -7.148 -9.387 -8.430 372 HE1 HIS 56 1HE HIS 56 -9.907 -8.227 -11.455 373 H GLU 57 H GLU 57 -10.683 -10.357 -8.009 374 HA GLU 57 HA GLU 57 -10.825 -12.684 -6.810 375 HB3 GLU 57 2HB GLU 57 -9.020 -13.029 -9.067 376 HG3 GLU 57 2HG GLU 57 -11.170 -14.340 -8.153 377 HE2 GLU 57 HE GLU 57 -12.701 -14.472 -10.634 378 H GLN 58 H GLN 58 -7.630 -11.322 -7.913 379 HA GLN 58 HA GLN 58 -6.414 -13.033 -5.889 380 HB3 GLN 58 2HB GLN 58 -4.287 -12.546 -7.363 381 HG3 GLN 58 2HG GLN 58 -6.445 -14.508 -7.563 382 HE21 GLN 58 1HE2 GLN 58 -6.410 -16.181 -9.257 383 HE22 GLN 58 2HE2 GLN 58 -6.337 -15.697 -10.919 384 H ILE 59 H ILE 59 -4.999 -12.123 -4.357 385 HA ILE 59 HA ILE 59 -4.466 -9.264 -4.622 386 HB ILE 59 HB ILE 59 -5.628 -8.627 -2.848 387 HG13 ILE 59 2HG1 ILE 59 -4.043 -9.694 -1.310 388 HG21 ILE 59 1HG2 ILE 59 -7.377 -9.768 -3.994 389 HG22 ILE 59 2HG2 ILE 59 -6.891 -11.338 -3.311 390 HG23 ILE 59 3HG2 ILE 59 -7.588 -10.085 -2.256 391 HD11 ILE 59 3HD1 ILE 59 -6.447 -10.577 0.080 392 HD12 ILE 59 1HD1 ILE 59 -5.429 -9.151 0.396 393 HD13 ILE 59 2HD1 ILE 59 -6.756 -9.053 -0.786 394 H ILE 60 H ILE 60 -2.812 -8.591 -2.840 395 HA ILE 60 HA ILE 60 -1.014 -10.846 -2.318 396 HB ILE 60 HB ILE 60 -0.306 -8.178 -3.534 397 HG13 ILE 60 2HG1 ILE 60 -1.027 -9.604 -5.255 398 HG21 ILE 60 1HG2 ILE 60 1.304 -8.775 -1.773 399 HG22 ILE 60 2HG2 ILE 60 1.568 -10.351 -2.556 400 HG23 ILE 60 3HG2 ILE 60 2.026 -8.851 -3.397 401 HD11 ILE 60 3HD1 ILE 60 1.038 -10.237 -6.461 402 HD12 ILE 60 1HD1 ILE 60 1.230 -8.644 -5.689 403 HD13 ILE 60 2HD1 ILE 60 1.974 -10.085 -4.955 404 H PHE 61 H PHE 61 0.563 -10.369 -0.538 405 HA PHE 61 HA PHE 61 -0.596 -8.408 1.317 406 HB3 PHE 61 2HB PHE 61 0.677 -10.355 2.859 407 HD1 PHE 61 2HD PHE 61 -2.436 -10.188 0.805 408 HD2 PHE 61 1HD PHE 61 -0.720 -10.876 4.625 409 HE1 PHE 61 2HE PHE 61 -4.731 -10.372 1.804 410 HE2 PHE 61 1HE PHE 61 -3.015 -11.059 5.623 411 HZ PHE 61 HZ PHE 61 -4.994 -10.805 4.202 412 H HIS 62 H HIS 62 1.020 -7.755 3.090 413 HA HIS 62 HA HIS 62 3.734 -8.176 2.791 414 HB3 HIS 62 2HB HIS 62 2.949 -6.714 0.662 415 HD1 HIS 62 1HD HIS 62 1.236 -4.759 1.371 416 HD2 HIS 62 2HD HIS 62 5.241 -4.186 2.478 417 HE1 HIS 62 1HE HIS 62 1.470 -2.286 1.953 418 H CYS 63 H CYS 63 4.986 -6.862 4.336 419 HA CYS 63 HA CYS 63 3.358 -5.157 6.031 420 HB3 CYS 63 2HB CYS 63 4.808 -7.629 7.020 421 HG CYS 63 HG CYS 63 5.075 -6.927 9.287 422 H GLN 64 H GLN 64 4.989 -3.953 4.375 423 HA GLN 64 HA GLN 64 6.838 -2.848 4.028 424 HB3 GLN 64 2HB GLN 64 7.540 -2.572 6.909 425 HG3 GLN 64 2HG GLN 64 6.503 -0.239 5.454 426 HE21 GLN 64 1HE2 GLN 64 9.566 0.005 4.800 427 HE22 GLN 64 2HE2 GLN 64 10.259 0.540 6.295 428 H ALA 65 H ALA 65 7.037 -5.876 4.532 429 HA ALA 65 HA ALA 65 9.564 -6.373 3.904 430 HB1 ALA 65 1HB ALA 65 9.408 -5.541 6.755 431 HB2 ALA 65 2HB ALA 65 10.354 -7.014 6.433 432 HB3 ALA 65 3HB ALA 65 10.778 -5.489 5.619 433 H GLY 66 H GLY 66 9.350 -8.437 3.210 434 HA2 GLY 66 1HA GLY 66 7.254 -10.098 4.273 435 HA3 GLY 66 2HA GLY 66 8.357 -10.466 2.963 436 H LYS 67 H LYS 67 9.617 -12.220 3.382 437 HA LYS 67 HA LYS 67 10.413 -13.898 4.686 438 HB3 LYS 67 2HB LYS 67 12.300 -11.964 5.907 439 HG3 LYS 67 2HG LYS 67 13.571 -13.640 4.048 440 HD3 LYS 67 2HD LYS 67 12.974 -14.171 6.998 441 HE3 LYS 67 2HE LYS 67 14.135 -15.938 5.259 442 HZ1 LYS 67 2HZ LYS 67 16.108 -15.006 4.666 443 HZ3 LYS 67 1HZ LYS 67 16.622 -15.451 6.147 444 H ARG 68 H ARG 68 8.062 -13.142 5.903 445 HA ARG 68 HA ARG 68 8.477 -14.029 8.460 446 HB3 ARG 68 2HB ARG 68 9.421 -11.627 8.681 447 HG3 ARG 68 2HG ARG 68 6.481 -10.861 8.801 448 HD3 ARG 68 2HD ARG 68 7.389 -8.576 8.638 449 HE ARG 68 HE ARG 68 8.082 -10.316 10.831 450 HH11 ARG 68 2HH2 ARG 68 8.755 -7.079 9.558 451 HH12 ARG 68 1HH2 ARG 68 9.140 -6.413 11.110 452 HH22 ARG 68 1HH ARG 68 9.036 -7.818 13.048 453 H THR 69 H THR 69 6.575 -12.187 6.084 454 HA THR 69 HA THR 69 4.091 -12.141 7.254 455 HB THR 69 HB THR 69 4.228 -12.848 4.352 456 HG1 THR 69 1HG THR 69 5.486 -10.482 5.542 457 HG21 THR 69 3HG2 THR 69 2.298 -11.605 5.488 458 HG22 THR 69 1HG2 THR 69 3.429 -10.262 5.781 459 HG23 THR 69 2HG2 THR 69 3.021 -10.734 4.114 460 H SER 70 H SER 70 5.878 -14.906 5.919 461 HA SER 70 HA SER 70 3.606 -16.565 5.811 462 HB3 SER 70 2HB SER 70 5.346 -17.294 4.424 463 HG SER 70 HG SER 70 7.001 -16.425 6.554 464 H ASN 71 H ASN 71 5.279 -15.185 8.401 465 HA ASN 71 HA ASN 71 5.623 -17.253 10.157 466 HB3 ASN 71 2HB ASN 71 5.134 -15.374 11.926 467 HD21 ASN 71 1HD2 ASN 71 6.692 -13.185 11.581 468 HD22 ASN 71 2HD2 ASN 71 8.318 -13.623 11.169 469 H ASN 72 H ASN 72 2.739 -15.223 9.357 470 HA ASN 72 HA ASN 72 1.113 -17.228 10.676 471 HB3 ASN 72 2HB ASN 72 -0.376 -15.371 11.560 472 HD21 ASN 72 1HD2 ASN 72 2.865 -14.102 11.921 473 HD22 ASN 72 2HD2 ASN 72 3.194 -14.712 13.507 474 H ALA 73 H ALA 73 1.839 -16.688 7.847 475 HA ALA 73 HA ALA 73 -0.161 -15.166 6.578 476 HB1 ALA 73 1HB ALA 73 1.923 -15.583 5.463 477 HB2 ALA 73 2HB ALA 73 1.746 -17.343 5.651 478 HB3 ALA 73 3HB ALA 73 0.670 -16.454 4.547 479 H ASP 74 H ASP 74 -0.087 -18.356 8.018 480 HA ASP 74 HA ASP 74 -1.863 -19.719 6.499 481 HB3 ASP 74 2HB ASP 74 -1.742 -19.648 9.552 482 HD2 ASP 74 HD ASP 74 -3.703 -20.540 9.931 483 H LYS 75 H LYS 75 -2.605 -17.776 9.505 484 HA LYS 75 HA LYS 75 -5.368 -17.889 9.229 485 HB3 LYS 75 2HB LYS 75 -4.671 -15.483 10.561 486 HG3 LYS 75 2HG LYS 75 -5.315 -16.783 12.560 487 HD3 LYS 75 2HD LYS 75 -6.865 -16.848 10.039 488 HE3 LYS 75 2HE LYS 75 -7.006 -19.130 11.922 489 HZ1 LYS 75 2HZ LYS 75 -9.531 -17.769 11.152 490 HZ3 LYS 75 1HZ LYS 75 -8.919 -17.730 12.660 491 H LEU 76 H LEU 76 -2.946 -15.481 8.059 492 HA LEU 76 HA LEU 76 -4.689 -13.598 7.090 493 HB3 LEU 76 2HB LEU 76 -2.839 -13.078 5.475 494 HG LEU 76 HG LEU 76 -1.907 -13.534 8.323 495 HD11 LEU 76 1HD1 LEU 76 -0.594 -11.317 7.381 496 HD12 LEU 76 2HD1 LEU 76 0.083 -12.961 7.477 497 HD13 LEU 76 3HD1 LEU 76 -0.623 -12.377 5.950 498 HD21 LEU 76 3HD2 LEU 76 -2.509 -10.805 7.809 499 HD22 LEU 76 1HD2 LEU 76 -3.909 -11.777 7.295 500 HD23 LEU 76 2HD2 LEU 76 -3.287 -11.922 8.956 501 H ALA 77 H ALA 77 -3.862 -16.816 5.829 502 HA ALA 77 HA ALA 77 -4.947 -16.372 3.247 503 HB1 ALA 77 1HB ALA 77 -4.154 -18.463 2.860 504 HB2 ALA 77 2HB ALA 77 -3.363 -18.274 4.444 505 HB3 ALA 77 3HB ALA 77 -4.919 -19.130 4.322 506 H ALA 78 H ALA 78 -6.168 -17.876 6.309 507 HA ALA 78 HA ALA 78 -8.670 -18.578 5.263 508 HB1 ALA 78 1HB ALA 78 -8.107 -17.855 8.152 509 HB2 ALA 78 2HB ALA 78 -9.218 -19.089 7.508 510 HB3 ALA 78 3HB ALA 78 -7.458 -19.341 7.416 511 H ILE 79 H ILE 79 -7.247 -15.517 5.829 512 HA ILE 79 HA ILE 79 -9.779 -14.235 6.437 513 HB ILE 79 HB ILE 79 -6.921 -13.551 6.591 514 HG13 ILE 79 2HG1 ILE 79 -8.521 -14.065 8.502 515 HG21 ILE 79 1HG2 ILE 79 -7.405 -11.095 6.532 516 HG22 ILE 79 2HG2 ILE 79 -7.475 -11.905 4.949 517 HG23 ILE 79 3HG2 ILE 79 -8.981 -11.479 5.797 518 HD11 ILE 79 3HD1 ILE 79 -7.235 -11.309 8.662 519 HD12 ILE 79 1HD1 ILE 79 -7.450 -12.496 9.972 520 HD13 ILE 79 2HD1 ILE 79 -6.280 -12.812 8.669 521 H ALA 80 H ALA 80 -7.191 -14.086 3.889 522 HA ALA 80 HA ALA 80 -8.842 -12.542 2.164 523 HB1 ALA 80 1HB ALA 80 -6.138 -13.149 2.399 524 HB2 ALA 80 2HB ALA 80 -6.627 -14.028 0.931 525 HB3 ALA 80 3HB ALA 80 -6.897 -12.272 1.048 526 H ALA 81 H ALA 81 -7.935 -16.021 2.464 527 HA ALA 81 HA ALA 81 -8.842 -17.107 0.213 528 HB1 ALA 81 1HB ALA 81 -9.657 -19.021 1.695 529 HB2 ALA 81 2HB ALA 81 -7.985 -18.479 1.974 530 HB3 ALA 81 3HB ALA 81 -9.280 -17.981 3.089 531 HA PRO 82 HA PRO 82 -10.019 -18.846 -0.231 532 HB3 PRO 82 2HB PRO 82 -11.769 -20.146 -0.971 533 HG3 PRO 82 2HG PRO 82 -13.806 -19.067 -1.049 534 HD3 PRO 82 2HD PRO 82 -13.449 -17.411 0.505 535 H ALA 83 H ALA 83 -10.562 -15.758 -1.259 536 HA ALA 83 HA ALA 83 -9.554 -15.546 -3.742 537 HB1 ALA 83 1HB ALA 83 -8.325 -13.620 -1.894 538 HB2 ALA 83 2HB ALA 83 -9.502 -13.353 -3.203 539 HB3 ALA 83 3HB ALA 83 -10.062 -13.857 -1.591 540 H GLU 84 H GLU 84 -7.443 -15.301 -4.699 541 HA GLU 84 HA GLU 84 -5.544 -17.021 -3.419 542 HB3 GLU 84 2HB GLU 84 -4.265 -16.662 -5.600 543 HG3 GLU 84 2HG GLU 84 -6.026 -18.500 -5.183 544 HE2 GLU 84 HE GLU 84 -8.833 -16.580 -7.326 545 H ILE 85 H ILE 85 -3.911 -16.305 -2.121 546 HA ILE 85 HA ILE 85 -3.199 -13.467 -2.357 547 HB ILE 85 HB ILE 85 -3.507 -15.333 -0.063 548 HG13 ILE 85 2HG1 ILE 85 -3.921 -12.350 -0.102 549 HG21 ILE 85 1HG2 ILE 85 -1.599 -12.984 0.041 550 HG22 ILE 85 2HG2 ILE 85 -2.028 -14.092 1.366 551 HG23 ILE 85 3HG2 ILE 85 -1.102 -14.691 -0.032 552 HD11 ILE 85 3HD1 ILE 85 -5.739 -14.536 -1.204 553 HD12 ILE 85 1HD1 ILE 85 -6.326 -12.927 -0.718 554 HD13 ILE 85 2HD1 ILE 85 -5.157 -13.083 -2.051 555 H PHE 86 H PHE 86 -0.836 -13.013 -1.730 556 HA PHE 86 HA PHE 86 0.960 -15.201 -2.266 557 HB3 PHE 86 2HB PHE 86 1.978 -13.929 -4.205 558 HD1 PHE 86 1HD PHE 86 1.230 -16.233 -4.919 559 HD2 PHE 86 2HD PHE 86 -1.355 -12.870 -5.027 560 HE1 PHE 86 1HE PHE 86 -0.285 -17.447 -6.511 561 HE2 PHE 86 2HE PHE 86 -2.869 -14.083 -6.617 562 HZ PHE 86 HZ PHE 86 -2.316 -16.358 -7.341 563 H LEU 87 H LEU 87 2.997 -14.854 -1.361 564 HA LEU 87 HA LEU 87 3.193 -12.455 0.255 565 HB3 LEU 87 2HB LEU 87 5.427 -14.223 0.524 566 HG LEU 87 HG LEU 87 4.744 -12.982 2.432 567 HD11 LEU 87 1HD1 LEU 87 2.027 -13.911 1.686 568 HD12 LEU 87 2HD1 LEU 87 2.369 -13.752 3.425 569 HD13 LEU 87 3HD1 LEU 87 2.575 -12.352 2.347 570 HD21 LEU 87 3HD2 LEU 87 3.845 -15.108 3.897 571 HD22 LEU 87 1HD2 LEU 87 4.591 -15.919 2.498 572 HD23 LEU 87 2HD2 LEU 87 5.547 -14.787 3.487 573 H LEU 88 H LEU 88 3.951 -10.671 -0.766 574 HA LEU 88 HA LEU 88 5.373 -10.643 -3.106 575 HB3 LEU 88 2HB LEU 88 6.097 -8.449 -1.356 576 HG LEU 88 HG LEU 88 4.198 -8.583 -3.715 577 HD11 LEU 88 1HD1 LEU 88 4.233 -6.204 -3.777 578 HD12 LEU 88 2HD1 LEU 88 3.819 -6.682 -2.113 579 HD13 LEU 88 3HD1 LEU 88 5.465 -6.121 -2.495 580 HD21 LEU 88 3HD2 LEU 88 7.155 -8.123 -3.487 581 HD22 LEU 88 1HD2 LEU 88 6.239 -9.107 -4.654 582 HD23 LEU 88 2HD2 LEU 88 6.226 -7.331 -4.783 583 H GLU 89 H GLU 89 7.572 -10.547 -3.685 584 HA GLU 89 HA GLU 89 9.270 -12.211 -2.564 585 HB3 GLU 89 2HB GLU 89 10.505 -9.637 -3.495 586 HG3 GLU 89 2HG GLU 89 11.226 -11.759 -5.165 587 HE2 GLU 89 HE GLU 89 14.303 -11.765 -3.673 588 H ASP 90 H ASP 90 8.444 -8.991 -1.333 589 HA ASP 90 HA ASP 90 9.200 -9.485 1.200 590 HB3 ASP 90 2HB ASP 90 11.334 -7.612 0.430 591 HD2 ASP 90 HD ASP 90 12.499 -10.924 1.444 592 H GLY 91 H GLY 91 7.808 -7.970 2.116 593 HA2 GLY 91 1HA GLY 91 6.591 -5.876 0.929 594 HA3 GLY 91 2HA GLY 91 6.940 -5.949 2.643 595 H ILE 92 H ILE 92 7.894 -4.607 -0.486 596 HA ILE 92 HA ILE 92 8.956 -2.686 -0.898 597 HB ILE 92 HB ILE 92 8.505 -2.442 1.829 598 HG13 ILE 92 2HG1 ILE 92 8.990 -0.760 -0.490 599 HG21 ILE 92 1HG2 ILE 92 10.563 -1.381 2.690 600 HG22 ILE 92 2HG2 ILE 92 10.765 -3.120 2.366 601 HG23 ILE 92 3HG2 ILE 92 11.430 -1.920 1.232 602 HD11 ILE 92 3HD1 ILE 92 7.034 -1.199 1.522 603 HD12 ILE 92 1HD1 ILE 92 7.590 0.478 1.741 604 HD13 ILE 92 2HD1 ILE 92 6.944 -0.048 0.168 605 H ASP 93 H ASP 93 10.716 -4.826 1.441 606 HA ASP 93 HA ASP 93 13.227 -4.304 0.520 607 HB3 ASP 93 2HB ASP 93 13.155 -7.080 1.139 608 HD2 ASP 93 HD ASP 93 14.385 -7.452 3.024 609 H GLY 94 H GLY 94 10.554 -6.024 -0.955 610 HA2 GLY 94 1HA GLY 94 12.314 -7.404 -2.869 611 HA3 GLY 94 2HA GLY 94 10.621 -7.741 -2.571 612 H TRP 95 H TRP 95 9.672 -4.970 -2.554 613 HA TRP 95 HA TRP 95 9.178 -4.651 -5.278 614 HB3 TRP 95 2HB TRP 95 8.779 -2.923 -2.854 615 HD1 TRP 95 HD TRP 95 8.674 -0.363 -3.318 616 HE1 TRP 95 1HE TRP 95 8.000 1.276 -5.275 617 HE3 TRP 95 3HE TRP 95 7.551 -4.003 -6.687 618 HZ2 TRP 95 2HZ TRP 95 7.093 0.874 -7.951 619 HZ3 TRP 95 3HZ TRP 95 6.779 -3.295 -8.948 620 HH2 TRP 95 HH TRP 95 6.543 -0.952 -9.602 621 H LYS 96 H LYS 96 11.410 -2.933 -2.986 622 HA LYS 96 HA LYS 96 12.489 -1.279 -5.014 623 HB3 LYS 96 2HB LYS 96 14.056 -1.821 -2.549 624 HG3 LYS 96 2HG LYS 96 13.843 0.216 -4.487 625 HD3 LYS 96 2HD LYS 96 11.758 0.872 -3.013 626 HE3 LYS 96 2HE LYS 96 13.216 2.596 -1.291 627 HZ1 LYS 96 2HZ LYS 96 11.305 1.860 -0.333 628 HZ3 LYS 96 1HZ LYS 96 12.222 0.668 0.291 629 H LYS 97 H LYS 97 13.146 -4.543 -3.797 630 HA LYS 97 HA LYS 97 15.716 -4.965 -4.485 631 HB3 LYS 97 2HB LYS 97 13.495 -6.913 -5.142 632 HG3 LYS 97 2HG LYS 97 15.999 -7.705 -3.735 633 HD3 LYS 97 2HD LYS 97 13.919 -8.941 -5.207 634 HE3 LYS 97 2HE LYS 97 15.322 -8.302 -7.263 635 HZ1 LYS 97 2HZ LYS 97 17.397 -9.218 -5.743 636 HZ3 LYS 97 1HZ LYS 97 17.463 -8.964 -7.351 637 H ALA 98 H ALA 98 12.958 -5.563 -6.783 638 HA ALA 98 HA ALA 98 14.509 -5.912 -9.021 639 HB1 ALA 98 1HB ALA 98 12.083 -4.557 -9.734 640 HB2 ALA 98 2HB ALA 98 12.447 -6.296 -9.818 641 HB3 ALA 98 3HB ALA 98 11.746 -5.604 -8.335 642 H GLY 99 H GLY 99 13.694 -2.967 -7.244 643 HA2 GLY 99 1HA GLY 99 15.093 -1.071 -7.473 644 HA3 GLY 99 2HA GLY 99 15.322 -1.442 -9.169 645 H LEU 100 H LEU 100 12.305 -1.300 -7.151 646 HA LEU 100 HA LEU 100 11.358 0.786 -8.992 647 HB3 LEU 100 2HB LEU 100 9.154 -0.133 -8.852 648 HG LEU 100 HG LEU 100 11.315 -2.032 -9.643 649 HD11 LEU 100 1HD1 LEU 100 8.529 -3.036 -9.956 650 HD12 LEU 100 2HD1 LEU 100 10.064 -3.922 -9.795 651 HD13 LEU 100 3HD1 LEU 100 9.295 -3.204 -8.359 652 HD21 LEU 100 3HD2 LEU 100 10.684 -1.541 -11.758 653 HD22 LEU 100 1HD2 LEU 100 8.953 -1.465 -11.348 654 HD23 LEU 100 2HD2 LEU 100 10.017 -0.088 -10.972 655 HA PRO 101 HA PRO 101 11.122 2.983 -5.233 656 HB3 PRO 101 2HB PRO 101 12.081 4.857 -6.168 657 HG3 PRO 101 2HG PRO 101 12.099 4.881 -8.474 658 HD3 PRO 101 2HD PRO 101 11.986 2.626 -8.908 659 H VAL 102 H VAL 102 9.628 3.500 -3.672 660 HA VAL 102 HA VAL 102 6.973 2.702 -4.410 661 HB VAL 102 HB VAL 102 6.601 3.331 -1.938 662 HG11 VAL 102 1HG1 VAL 102 7.030 1.162 -1.391 663 HG12 VAL 102 2HG1 VAL 102 7.249 1.021 -3.153 664 HG13 VAL 102 3HG1 VAL 102 8.667 1.191 -2.089 665 HG21 VAL 102 3HG2 VAL 102 8.309 4.021 -0.633 666 HG22 VAL 102 1HG2 VAL 102 9.495 2.980 -1.457 667 HG23 VAL 102 2HG2 VAL 102 9.039 4.547 -2.169 668 H ALA 103 H ALA 103 5.145 4.212 -3.293 669 HA ALA 103 HA ALA 103 5.310 6.660 -4.790 670 HB1 ALA 103 1HB ALA 103 3.052 6.523 -4.746 671 HB2 ALA 103 2HB ALA 103 3.299 4.893 -4.078 672 HB3 ALA 103 3HB ALA 103 3.014 6.269 -2.986 673 H VAL 104 H VAL 104 7.332 7.173 -3.308 674 HA VAL 104 HA VAL 104 6.644 8.101 -0.684 675 HB VAL 104 HB VAL 104 9.067 9.047 -0.970 676 HG11 VAL 104 1HG1 VAL 104 7.976 6.679 0.009 677 HG12 VAL 104 2HG1 VAL 104 9.326 6.140 -1.019 678 HG13 VAL 104 3HG1 VAL 104 9.621 7.293 0.305 679 HG21 VAL 104 3HG2 VAL 104 9.284 6.868 -3.033 680 HG22 VAL 104 1HG2 VAL 104 8.862 8.525 -3.528 681 HG23 VAL 104 2HG2 VAL 104 10.395 8.214 -2.679 682 H ASN 105 H ASN 105 7.707 10.499 -0.248 683 HA ASN 105 HA ASN 105 6.304 12.182 -2.169 684 HB3 ASN 105 2HB ASN 105 6.986 13.120 0.630 685 HD21 ASN 105 1HD2 ASN 105 6.330 15.113 0.750 686 HD22 ASN 105 2HD2 ASN 105 5.021 15.851 -0.113 687 H LYS 106 H LYS 106 8.819 11.571 -2.987 688 HA LYS 106 HA LYS 106 10.590 12.714 -3.762 689 HB3 LYS 106 2HB LYS 106 10.674 14.831 -1.698 690 HG3 LYS 106 2HG LYS 106 11.725 14.437 -4.229 691 HD3 LYS 106 2HD LYS 106 9.210 16.147 -4.434 692 HE3 LYS 106 2HE LYS 106 11.722 16.129 -6.160 693 HZ1 LYS 106 2HZ LYS 106 10.451 17.167 -7.851 694 HZ3 LYS 106 1HZ LYS 106 9.126 17.338 -6.918 695 H SER 107 H SER 107 12.666 12.041 -3.412 696 HA SER 107 HA SER 107 13.318 10.325 -1.526 697 HB3 SER 107 2HB SER 107 14.820 10.781 -3.364 698 HG SER 107 HG SER 107 16.222 12.896 -2.788 699 H GLN 108 H GLN 108 14.586 10.390 0.511 700 HA GLN 108 HA GLN 108 13.595 12.380 2.223 701 HB3 GLN 108 2HB GLN 108 15.067 11.226 3.929 702 HG3 GLN 108 2HG GLN 108 12.953 9.987 2.273 703 HE21 GLN 108 1HE2 GLN 108 12.176 7.800 3.042 704 HE22 GLN 108 2HE2 GLN 108 13.330 6.508 3.076 Start of MODEL 6 1 H1 ALA 1 H ALA 1 -0.023 -20.599 3.735 2 HA ALA 1 HA ALA 1 1.879 -21.900 2.012 3 HB1 ALA 1 1HB ALA 1 -0.262 -22.711 3.563 4 HB2 ALA 1 2HB ALA 1 -0.942 -22.758 1.919 5 HB3 ALA 1 3HB ALA 1 0.525 -23.691 2.302 6 H LEU 2 H LEU 2 -0.389 -19.314 1.782 7 HA LEU 2 HA LEU 2 -1.635 -19.513 -0.566 8 HB3 LEU 2 2HB LEU 2 -2.035 -17.532 0.428 9 HG LEU 2 HG LEU 2 0.613 -17.710 1.491 10 HD11 LEU 2 1HD1 LEU 2 0.316 -15.548 -0.412 11 HD12 LEU 2 2HD1 LEU 2 0.595 -14.925 1.232 12 HD13 LEU 2 3HD1 LEU 2 1.747 -16.073 0.508 13 HD21 LEU 2 3HD2 LEU 2 -0.669 -17.187 3.225 14 HD22 LEU 2 1HD2 LEU 2 -0.699 -15.508 2.634 15 HD23 LEU 2 2HD2 LEU 2 -1.986 -16.642 2.160 16 H THR 3 H THR 3 1.345 -17.540 -0.782 17 HA THR 3 HA THR 3 2.879 -19.230 -2.342 18 HB THR 3 HB THR 3 0.639 -17.823 -3.780 19 HG1 THR 3 1HG THR 3 2.393 -20.162 -4.031 20 HG21 THR 3 3HG2 THR 3 2.838 -16.769 -4.637 21 HG22 THR 3 1HG2 THR 3 3.323 -18.413 -5.117 22 HG23 THR 3 2HG2 THR 3 1.889 -17.659 -5.852 23 H THR 4 H THR 4 4.598 -17.983 -3.602 24 HA THR 4 HA THR 4 4.908 -15.270 -2.543 25 HB THR 4 HB THR 4 7.318 -17.056 -2.486 26 HG1 THR 4 1HG THR 4 5.082 -17.087 -0.581 27 HG21 THR 4 3HG2 THR 4 7.841 -15.806 -0.508 28 HG22 THR 4 1HG2 THR 4 7.102 -14.603 -1.589 29 HG23 THR 4 2HG2 THR 4 6.146 -15.320 -0.270 30 H ILE 5 H ILE 5 5.141 -13.946 -4.222 31 HA ILE 5 HA ILE 5 6.389 -15.068 -6.623 32 HB ILE 5 HB ILE 5 4.438 -14.300 -7.414 33 HG13 ILE 5 2HG1 ILE 5 6.245 -12.901 -8.420 34 HG21 ILE 5 1HG2 ILE 5 4.375 -12.236 -5.195 35 HG22 ILE 5 2HG2 ILE 5 3.110 -12.458 -6.427 36 HG23 ILE 5 3HG2 ILE 5 3.463 -13.763 -5.270 37 HD11 ILE 5 3HD1 ILE 5 3.384 -12.415 -8.398 38 HD12 ILE 5 1HD1 ILE 5 4.252 -10.874 -8.600 39 HD13 ILE 5 2HD1 ILE 5 4.540 -12.214 -9.737 40 H SER 6 H SER 6 7.930 -13.691 -7.819 41 HA SER 6 HA SER 6 9.590 -12.309 -5.907 42 HB3 SER 6 2HB SER 6 10.895 -12.282 -8.393 43 HG SER 6 HG SER 6 12.299 -13.591 -7.355 44 HA PRO 7 HA PRO 7 8.756 -8.379 -7.579 45 HB3 PRO 7 2HB PRO 7 10.056 -7.308 -6.009 46 HG3 PRO 7 2HG PRO 7 11.737 -8.603 -5.104 47 HD3 PRO 7 2HD PRO 7 10.867 -10.702 -5.455 48 H HIS 8 H HIS 8 8.052 -8.434 -9.643 49 HA HIS 8 HA HIS 8 9.380 -7.265 -11.600 50 HB3 HIS 8 2HB HIS 8 10.502 -9.988 -11.208 51 HD1 HIS 8 1HD HIS 8 10.367 -11.734 -12.974 52 HD2 HIS 8 2HD HIS 8 10.053 -7.868 -14.572 53 HE1 HIS 8 1HE HIS 8 10.129 -12.021 -15.499 54 H ASP 9 H ASP 9 7.702 -10.403 -10.944 55 HA ASP 9 HA ASP 9 6.130 -10.061 -13.305 56 HB3 ASP 9 2HB ASP 9 4.954 -12.077 -11.730 57 HD2 ASP 9 HD ASP 9 7.531 -14.009 -13.576 58 H ALA 10 H ALA 10 6.011 -9.403 -9.830 59 HA ALA 10 HA ALA 10 3.223 -9.310 -9.504 60 HB1 ALA 10 1HB ALA 10 5.239 -9.342 -7.801 61 HB2 ALA 10 2HB ALA 10 5.127 -7.571 -7.945 62 HB3 ALA 10 3HB ALA 10 3.726 -8.508 -7.377 63 H GLN 11 H GLN 11 5.705 -6.848 -10.415 64 HA GLN 11 HA GLN 11 4.155 -4.635 -10.334 65 HB3 GLN 11 2HB GLN 11 6.259 -5.328 -12.433 66 HG3 GLN 11 2HG GLN 11 6.052 -2.554 -11.439 67 HE21 GLN 11 1HE2 GLN 11 4.643 -2.397 -14.284 68 HE22 GLN 11 2HE2 GLN 11 5.982 -2.437 -15.383 69 H GLU 12 H GLU 12 3.881 -7.393 -12.466 70 HA GLU 12 HA GLU 12 2.453 -5.938 -14.469 71 HB3 GLU 12 2HB GLU 12 2.131 -8.835 -14.606 72 HG3 GLU 12 2HG GLU 12 4.075 -7.498 -16.400 73 HE2 GLU 12 HE GLU 12 2.907 -7.667 -18.577 74 H LEU 13 H LEU 13 1.565 -8.852 -12.473 75 HA LEU 13 HA LEU 13 -1.106 -8.791 -12.842 76 HB3 LEU 13 2HB LEU 13 -0.147 -10.596 -11.707 77 HG LEU 13 HG LEU 13 1.554 -8.922 -10.403 78 HD11 LEU 13 1HD1 LEU 13 -0.453 -9.802 -8.310 79 HD12 LEU 13 2HD1 LEU 13 1.093 -8.970 -8.020 80 HD13 LEU 13 3HD1 LEU 13 -0.220 -8.135 -8.884 81 HD21 LEU 13 3HD2 LEU 13 2.073 -10.986 -8.962 82 HD22 LEU 13 1HD2 LEU 13 0.749 -11.774 -9.853 83 HD23 LEU 13 2HD2 LEU 13 2.167 -11.152 -10.731 84 H ILE 14 H ILE 14 0.787 -6.860 -10.443 85 HA ILE 14 HA ILE 14 -1.341 -5.683 -9.154 86 HB ILE 14 HB ILE 14 1.505 -5.325 -9.390 87 HG13 ILE 14 2HG1 ILE 14 -0.283 -5.870 -7.425 88 HG21 ILE 14 1HG2 ILE 14 1.067 -3.213 -10.453 89 HG22 ILE 14 2HG2 ILE 14 -0.140 -2.788 -9.217 90 HG23 ILE 14 3HG2 ILE 14 1.579 -2.917 -8.774 91 HD11 ILE 14 3HD1 ILE 14 2.573 -5.104 -7.589 92 HD12 ILE 14 1HD1 ILE 14 1.847 -4.836 -5.985 93 HD13 ILE 14 2HD1 ILE 14 1.806 -6.455 -6.721 94 H ALA 15 H ALA 15 0.188 -4.909 -12.305 95 HA ALA 15 HA ALA 15 -1.502 -2.581 -12.609 96 HB1 ALA 15 1HB ALA 15 0.295 -1.986 -13.821 97 HB2 ALA 15 2HB ALA 15 0.957 -3.636 -13.740 98 HB3 ALA 15 3HB ALA 15 -0.187 -3.198 -15.031 99 H ARG 16 H ARG 16 -2.294 -5.680 -12.491 100 HA ARG 16 HA ARG 16 -3.847 -5.581 -14.950 101 HB3 ARG 16 2HB ARG 16 -4.083 -8.080 -14.645 102 HG3 ARG 16 2HG ARG 16 -1.443 -8.498 -14.770 103 HD3 ARG 16 2HD ARG 16 -2.829 -6.739 -16.849 104 HE ARG 16 HE ARG 16 -0.400 -8.409 -16.887 105 HH11 ARG 16 2HH2 ARG 16 -2.903 -6.820 -18.828 106 HH12 ARG 16 1HH2 ARG 16 -1.950 -6.812 -20.274 107 HH22 ARG 16 1HH ARG 16 0.257 -7.745 -20.232 108 H GLY 17 H GLY 17 -3.876 -6.018 -11.399 109 HA2 GLY 17 1HA GLY 17 -6.257 -4.936 -10.812 110 HA3 GLY 17 2HA GLY 17 -6.725 -6.550 -11.306 111 H ALA 18 H ALA 18 -3.970 -7.601 -10.360 112 HA ALA 18 HA ALA 18 -4.629 -8.753 -8.048 113 HB1 ALA 18 1HB ALA 18 -2.234 -8.221 -9.533 114 HB2 ALA 18 2HB ALA 18 -1.880 -7.978 -7.805 115 HB3 ALA 18 3HB ALA 18 -2.548 -9.529 -8.367 116 H LYS 19 H LYS 19 -5.522 -7.937 -6.221 117 HA LYS 19 HA LYS 19 -4.885 -5.219 -5.461 118 HB3 LYS 19 2HB LYS 19 -6.597 -6.005 -3.568 119 HG3 LYS 19 2HG LYS 19 -8.449 -5.483 -5.343 120 HD3 LYS 19 2HD LYS 19 -6.970 -3.846 -3.803 121 HE3 LYS 19 2HE LYS 19 -5.905 -3.535 -6.592 122 HZ1 LYS 19 2HZ LYS 19 -7.040 -1.446 -6.337 123 HZ3 LYS 19 1HZ LYS 19 -5.467 -1.150 -6.037 124 H LEU 20 H LEU 20 -3.050 -4.842 -4.342 125 HA LEU 20 HA LEU 20 -2.012 -6.976 -2.664 126 HB3 LEU 20 2HB LEU 20 -0.932 -4.564 -4.003 127 HG LEU 20 HG LEU 20 0.166 -5.614 -1.398 128 HD11 LEU 20 1HD1 LEU 20 2.354 -4.895 -1.911 129 HD12 LEU 20 2HD1 LEU 20 1.835 -5.895 -3.289 130 HD13 LEU 20 3HD1 LEU 20 1.832 -4.120 -3.426 131 HD21 LEU 20 3HD2 LEU 20 0.204 -3.423 -0.691 132 HD22 LEU 20 1HD2 LEU 20 0.289 -2.773 -2.346 133 HD23 LEU 20 2HD2 LEU 20 -1.244 -3.433 -1.727 134 H ILE 21 H ILE 21 -1.529 -6.678 -0.412 135 HA ILE 21 HA ILE 21 -2.893 -4.379 0.789 136 HB ILE 21 HB ILE 21 -3.059 -7.181 1.883 137 HG13 ILE 21 2HG1 ILE 21 -5.327 -7.313 1.000 138 HG21 ILE 21 1HG2 ILE 21 -5.144 -5.269 2.588 139 HG22 ILE 21 2HG2 ILE 21 -4.127 -6.297 3.626 140 HG23 ILE 21 3HG2 ILE 21 -3.520 -4.720 3.067 141 HD11 ILE 21 3HD1 ILE 21 -4.687 -4.520 0.125 142 HD12 ILE 21 1HD1 ILE 21 -5.596 -5.529 -1.025 143 HD13 ILE 21 2HD1 ILE 21 -6.245 -5.232 0.606 144 H ASP 22 H ASP 22 -1.923 -3.558 2.689 145 HA ASP 22 HA ASP 22 0.748 -4.642 3.099 146 HB3 ASP 22 2HB ASP 22 1.518 -2.495 3.259 147 HD2 ASP 22 HD ASP 22 0.447 0.012 1.785 148 H ILE 23 H ILE 23 0.142 -6.210 4.740 149 HA ILE 23 HA ILE 23 -1.459 -5.344 6.966 150 HB ILE 23 HB ILE 23 -1.205 -7.621 7.741 151 HG13 ILE 23 2HG1 ILE 23 1.183 -7.573 6.159 152 HG21 ILE 23 1HG2 ILE 23 -1.788 -7.457 4.771 153 HG22 ILE 23 2HG2 ILE 23 -2.276 -8.777 5.860 154 HG23 ILE 23 3HG2 ILE 23 -2.935 -7.141 6.095 155 HD11 ILE 23 3HD1 ILE 23 1.142 -10.035 7.275 156 HD12 ILE 23 1HD1 ILE 23 1.475 -8.569 8.226 157 HD13 ILE 23 2HD1 ILE 23 -0.157 -9.281 8.230 158 H ARG 24 H ARG 24 0.329 -3.489 7.120 159 HA ARG 24 HA ARG 24 2.237 -4.492 9.075 160 HB3 ARG 24 2HB ARG 24 3.854 -3.755 7.635 161 HG3 ARG 24 2HG ARG 24 1.560 -2.308 6.261 162 HD3 ARG 24 2HD ARG 24 4.009 -2.321 4.698 163 HE ARG 24 HE ARG 24 1.973 -0.333 5.520 164 HH11 ARG 24 2HH2 ARG 24 4.833 -1.017 3.542 165 HH12 ARG 24 1HH2 ARG 24 4.567 0.321 2.474 166 HH22 ARG 24 1HH ARG 24 2.674 1.747 2.828 167 H ASP 25 H ASP 25 1.757 -1.092 8.029 168 HA ASP 25 HA ASP 25 0.072 -0.582 10.296 169 HB3 ASP 25 2HB ASP 25 2.044 1.475 10.397 170 HD2 ASP 25 HD ASP 25 -0.066 0.373 12.267 171 H ALA 26 H ALA 26 0.161 2.231 10.283 172 HA ALA 26 HA ALA 26 -0.637 2.811 7.525 173 HB1 ALA 26 1HB ALA 26 -2.225 3.032 9.553 174 HB2 ALA 26 2HB ALA 26 -1.254 4.456 9.995 175 HB3 ALA 26 3HB ALA 26 -2.118 4.417 8.439 176 H ASP 27 H ASP 27 1.546 3.712 10.196 177 HA ASP 27 HA ASP 27 2.342 6.161 9.271 178 HB3 ASP 27 2HB ASP 27 4.666 5.017 10.335 179 HD2 ASP 27 HD ASP 27 4.462 5.180 12.892 180 H GLU 28 H GLU 28 3.221 2.822 8.322 181 HA GLU 28 HA GLU 28 5.528 3.454 6.907 182 HB3 GLU 28 2HB GLU 28 5.410 1.217 6.061 183 HG3 GLU 28 2HG GLU 28 3.726 0.855 8.539 184 HE2 GLU 28 HE GLU 28 7.033 -0.150 7.129 185 H TYR 29 H TYR 29 2.048 3.331 6.003 186 HA TYR 29 HA TYR 29 2.428 3.628 3.239 187 HB3 TYR 29 2HB TYR 29 0.303 4.054 5.371 188 HD1 TYR 29 2HD TYR 29 0.072 6.588 4.857 189 HD2 TYR 29 1HD TYR 29 -0.941 3.507 2.067 190 HE1 TYR 29 2HE TYR 29 -1.386 8.224 3.568 191 HE2 TYR 29 1HE TYR 29 -2.396 5.154 0.788 192 HH TYR 29 HH TYR 29 -3.686 7.371 1.533 193 H LEU 30 H LEU 30 3.110 5.784 5.811 194 HA LEU 30 HA LEU 30 2.456 8.162 4.300 195 HB3 LEU 30 2HB LEU 30 4.049 8.646 6.636 196 HG LEU 30 HG LEU 30 1.965 9.654 7.540 197 HD11 LEU 30 1HD1 LEU 30 1.728 11.125 5.212 198 HD12 LEU 30 2HD1 LEU 30 2.910 11.393 6.516 199 HD13 LEU 30 3HD1 LEU 30 3.360 10.424 5.093 200 HD21 LEU 30 3HD2 LEU 30 0.397 8.044 6.463 201 HD22 LEU 30 1HD2 LEU 30 -0.057 9.752 6.251 202 HD23 LEU 30 2HD2 LEU 30 0.695 8.858 4.908 203 H ARG 31 H ARG 31 5.503 7.343 6.065 204 HA ARG 31 HA ARG 31 7.103 8.839 4.496 205 HB3 ARG 31 2HB ARG 31 8.035 7.965 6.511 206 HG3 ARG 31 2HG ARG 31 6.502 5.679 5.924 207 HD3 ARG 31 2HD ARG 31 9.172 5.188 5.021 208 HE ARG 31 HE ARG 31 8.751 3.342 7.286 209 HH11 ARG 31 2HH2 ARG 31 10.504 6.173 6.074 210 HH12 ARG 31 1HH2 ARG 31 11.787 6.027 7.228 211 HH22 ARG 31 1HH ARG 31 11.731 4.242 8.827 212 H GLU 32 H GLU 32 5.680 5.668 3.842 213 HA GLU 32 HA GLU 32 6.718 5.814 1.177 214 HB3 GLU 32 2HB GLU 32 7.274 3.190 1.527 215 HG3 GLU 32 2HG GLU 32 9.330 5.219 2.456 216 HE2 GLU 32 HE GLU 32 11.311 4.556 0.845 217 H HIS 33 H HIS 33 5.892 3.391 0.143 218 HA HIS 33 HA HIS 33 3.273 2.811 1.201 219 HB3 HIS 33 2HB HIS 33 3.604 3.910 -1.604 220 HD1 HIS 33 1HD HIS 33 0.851 3.127 0.971 221 HD2 HIS 33 2HD HIS 33 1.581 2.970 -3.157 222 HE1 HIS 33 1HE HIS 33 -1.271 2.196 -0.096 223 H ILE 34 H ILE 34 3.379 2.063 -2.095 224 HA ILE 34 HA ILE 34 5.188 0.022 -2.322 225 HB ILE 34 HB ILE 34 3.322 -0.670 -0.384 226 HG13 ILE 34 2HG1 ILE 34 5.259 -1.808 -0.142 227 HG21 ILE 34 1HG2 ILE 34 1.847 -1.019 -2.549 228 HG22 ILE 34 2HG2 ILE 34 2.759 -2.544 -2.643 229 HG23 ILE 34 3HG2 ILE 34 1.797 -2.170 -1.193 230 HD11 ILE 34 3HD1 ILE 34 4.824 -4.054 -0.325 231 HD12 ILE 34 1HD1 ILE 34 3.211 -3.492 -0.825 232 HD13 ILE 34 2HD1 ILE 34 4.419 -3.936 -2.054 233 HA PRO 35 HA PRO 35 3.320 -0.063 -6.214 234 HB3 PRO 35 2HB PRO 35 4.984 -1.361 -7.133 235 HG3 PRO 35 2HG PRO 35 6.091 -2.715 -5.629 236 HD3 PRO 35 2HD PRO 35 5.712 -1.556 -3.680 237 H GLU 36 H GLU 36 1.185 0.475 -5.722 238 HA GLU 36 HA GLU 36 -0.952 0.104 -5.999 239 HB3 GLU 36 2HB GLU 36 -1.182 -2.769 -6.314 240 HG3 GLU 36 2HG GLU 36 -2.541 -0.767 -7.317 241 HE2 GLU 36 HE GLU 36 -0.560 -0.497 -10.676 242 H ALA 37 H ALA 37 -1.017 0.661 -3.697 243 HA ALA 37 HA ALA 37 -1.821 -1.652 -2.083 244 HB1 ALA 37 1HB ALA 37 0.433 0.167 -1.683 245 HB2 ALA 37 2HB ALA 37 -0.693 0.193 -0.304 246 HB3 ALA 37 3HB ALA 37 0.029 -1.345 -0.834 247 H ASP 38 H ASP 38 -3.386 -1.120 -0.390 248 HA ASP 38 HA ASP 38 -4.695 1.428 -0.933 249 HB3 ASP 38 2HB ASP 38 -6.462 -0.654 0.153 250 HD2 ASP 38 HD ASP 38 -8.670 1.223 -0.981 251 H LEU 39 H LEU 39 -2.754 -0.054 1.186 252 HA LEU 39 HA LEU 39 -2.344 0.103 3.349 253 HB3 LEU 39 2HB LEU 39 -4.562 2.154 3.397 254 HG LEU 39 HG LEU 39 -4.089 1.950 5.641 255 HD11 LEU 39 1HD1 LEU 39 -1.787 1.503 6.546 256 HD12 LEU 39 2HD1 LEU 39 -2.504 0.174 5.604 257 HD13 LEU 39 3HD1 LEU 39 -1.259 1.212 4.872 258 HD21 LEU 39 3HD2 LEU 39 -3.704 4.176 5.517 259 HD22 LEU 39 1HD2 LEU 39 -2.076 3.683 6.040 260 HD23 LEU 39 2HD2 LEU 39 -2.400 4.001 4.318 261 H ALA 40 H ALA 40 -2.739 -1.538 4.727 262 HA ALA 40 HA ALA 40 -5.252 -1.933 5.912 263 HB1 ALA 40 1HB ALA 40 -6.288 -3.127 4.307 264 HB2 ALA 40 2HB ALA 40 -4.801 -3.242 3.334 265 HB3 ALA 40 3HB ALA 40 -5.107 -4.417 4.636 266 HA PRO 41 HA PRO 41 -1.660 -3.663 7.992 267 HB3 PRO 41 2HB PRO 41 -1.026 -1.770 9.139 268 HG3 PRO 41 2HG PRO 41 -2.541 -0.033 9.042 269 HD3 PRO 41 2HD PRO 41 -3.641 -0.559 7.093 270 H LEU 42 H LEU 42 -1.454 -5.494 9.236 271 HA LEU 42 HA LEU 42 -3.638 -7.089 9.446 272 HB3 LEU 42 2HB LEU 42 -1.365 -7.157 11.418 273 HG LEU 42 HG LEU 42 -3.090 -8.943 11.622 274 HD11 LEU 42 1HD1 LEU 42 -3.986 -9.923 9.849 275 HD12 LEU 42 2HD1 LEU 42 -2.963 -8.923 8.790 276 HD13 LEU 42 3HD1 LEU 42 -2.388 -10.517 9.336 277 HD21 LEU 42 3HD2 LEU 42 -0.243 -9.537 10.886 278 HD22 LEU 42 1HD2 LEU 42 -1.057 -9.622 12.467 279 HD23 LEU 42 2HD2 LEU 42 -1.367 -10.873 11.239 280 H SER 43 H SER 43 -2.610 -4.453 11.593 281 HA SER 43 HA SER 43 -3.974 -5.102 13.847 282 HB3 SER 43 2HB SER 43 -4.325 -2.317 13.558 283 HG SER 43 HG SER 43 -2.511 -4.074 14.804 284 H VAL 44 H VAL 44 -5.179 -3.929 10.712 285 HA VAL 44 HA VAL 44 -7.826 -3.460 11.807 286 HB VAL 44 HB VAL 44 -8.263 -2.310 9.894 287 HG11 VAL 44 1HG1 VAL 44 -6.220 -1.376 11.023 288 HG12 VAL 44 2HG1 VAL 44 -5.231 -2.214 9.802 289 HG13 VAL 44 3HG1 VAL 44 -6.376 -0.946 9.302 290 HG21 VAL 44 3HG2 VAL 44 -6.239 -3.995 8.380 291 HG22 VAL 44 1HG2 VAL 44 -8.004 -4.234 8.377 292 HG23 VAL 44 2HG2 VAL 44 -7.305 -2.750 7.686 293 H LEU 45 H LEU 45 -6.123 -5.630 9.461 294 HA LEU 45 HA LEU 45 -8.122 -7.102 8.489 295 HB3 LEU 45 2HB LEU 45 -6.488 -9.076 8.724 296 HG LEU 45 HG LEU 45 -4.654 -7.806 7.336 297 HD11 LEU 45 1HD1 LEU 45 -7.342 -8.797 6.658 298 HD12 LEU 45 2HD1 LEU 45 -6.615 -7.722 5.439 299 HD13 LEU 45 3HD1 LEU 45 -5.753 -9.191 5.959 300 HD21 LEU 45 3HD2 LEU 45 -6.878 -5.773 7.519 301 HD22 LEU 45 1HD2 LEU 45 -5.134 -5.552 7.798 302 HD23 LEU 45 2HD2 LEU 45 -5.743 -5.828 6.148 303 H GLU 46 H GLU 46 -6.608 -7.628 11.746 304 HA GLU 46 HA GLU 46 -8.378 -9.678 12.410 305 HB3 GLU 46 2HB GLU 46 -7.535 -8.597 14.837 306 HG3 GLU 46 2HG GLU 46 -5.388 -10.176 13.808 307 HE2 GLU 46 HE GLU 46 -5.171 -11.572 15.859 308 H GLN 47 H GLN 47 -8.404 -6.116 12.906 309 HA GLN 47 HA GLN 47 -10.557 -6.074 14.653 310 HB3 GLN 47 2HB GLN 47 -10.361 -3.760 12.819 311 HG3 GLN 47 2HG GLN 47 -9.539 -3.780 15.722 312 HE21 GLN 47 1HE2 GLN 47 -12.520 -2.468 14.658 313 HE22 GLN 47 2HE2 GLN 47 -12.053 -0.807 14.501 314 H SER 48 H SER 48 -10.325 -6.348 11.114 315 HA SER 48 HA SER 48 -13.188 -6.760 11.086 316 HB3 SER 48 2HB SER 48 -12.441 -5.412 8.640 317 HG SER 48 HG SER 48 -13.929 -3.870 10.355 318 H GLY 49 H GLY 49 -10.445 -6.480 8.701 319 HA2 GLY 49 1HA GLY 49 -9.435 -8.655 8.047 320 HA3 GLY 49 2HA GLY 49 -11.073 -9.238 7.833 321 H LEU 50 H LEU 50 -9.814 -9.595 5.598 322 HA LEU 50 HA LEU 50 -9.148 -7.665 3.868 323 HB3 LEU 50 2HB LEU 50 -10.459 -10.318 3.601 324 HG LEU 50 HG LEU 50 -11.286 -8.606 1.718 325 HD11 LEU 50 1HD1 LEU 50 -9.136 -9.576 0.032 326 HD12 LEU 50 2HD1 LEU 50 -9.786 -7.931 0.224 327 HD13 LEU 50 3HD1 LEU 50 -8.522 -8.521 1.329 328 HD21 LEU 50 3HD2 LEU 50 -10.358 -11.164 0.558 329 HD22 LEU 50 1HD2 LEU 50 -11.324 -11.291 2.048 330 HD23 LEU 50 2HD2 LEU 50 -11.987 -10.447 0.627 331 HA PRO 51 HA PRO 51 -12.666 -5.197 3.348 332 HB3 PRO 51 2HB PRO 51 -11.376 -3.340 2.919 333 HG3 PRO 51 2HG PRO 51 -9.209 -3.799 2.278 334 HD3 PRO 51 2HD PRO 51 -8.942 -5.885 3.209 335 H ALA 52 H ALA 52 -14.014 -4.207 1.322 336 HA ALA 52 HA ALA 52 -14.711 -6.658 -0.126 337 HB1 ALA 52 1HB ALA 52 -16.797 -4.992 -0.556 338 HB2 ALA 52 2HB ALA 52 -16.677 -6.044 0.875 339 HB3 ALA 52 3HB ALA 52 -16.210 -4.331 0.989 340 H LYS 53 H LYS 53 -12.761 -4.017 -0.477 341 HA LYS 53 HA LYS 53 -13.522 -3.611 -3.280 342 HB3 LYS 53 2HB LYS 53 -13.489 -1.491 -2.439 343 HG3 LYS 53 2HG LYS 53 -11.509 -2.608 -0.446 344 HD3 LYS 53 2HD LYS 53 -10.919 -0.207 -1.625 345 HE3 LYS 53 2HE LYS 53 -13.281 0.514 -0.588 346 HZ1 LYS 53 2HZ LYS 53 -11.781 1.487 1.657 347 HZ3 LYS 53 1HZ LYS 53 -11.952 -0.132 1.706 348 H LEU 54 H LEU 54 -10.732 -4.231 -1.059 349 HA LEU 54 HA LEU 54 -9.134 -4.980 -3.370 350 HB3 LEU 54 2HB LEU 54 -7.271 -4.896 -1.934 351 HG LEU 54 HG LEU 54 -7.168 -2.699 -1.599 352 HD11 LEU 54 1HD1 LEU 54 -9.115 -3.049 -3.350 353 HD12 LEU 54 2HD1 LEU 54 -10.090 -2.279 -2.076 354 HD13 LEU 54 3HD1 LEU 54 -8.681 -1.429 -2.754 355 HD21 LEU 54 3HD2 LEU 54 -8.245 -1.531 0.136 356 HD22 LEU 54 1HD2 LEU 54 -9.637 -2.643 0.140 357 HD23 LEU 54 2HD2 LEU 54 -8.054 -3.196 0.738 358 H ARG 55 H ARG 55 -11.428 -6.601 -2.928 359 HA ARG 55 HA ARG 55 -10.237 -8.960 -1.725 360 HB3 ARG 55 2HB ARG 55 -12.445 -8.269 -0.805 361 HG3 ARG 55 2HG ARG 55 -13.059 -7.955 -3.650 362 HD3 ARG 55 2HD ARG 55 -14.653 -9.943 -2.040 363 HE ARG 55 HE ARG 55 -15.931 -7.637 -3.042 364 HH11 ARG 55 2HH2 ARG 55 -16.159 -11.138 -3.534 365 HH12 ARG 55 1HH2 ARG 55 -17.840 -11.096 -3.949 366 HH22 ARG 55 1HH ARG 55 -18.990 -8.993 -3.974 367 H HIS 56 H HIS 56 -10.040 -7.612 -4.592 368 HA HIS 56 HA HIS 56 -11.267 -8.919 -6.542 369 HB3 HIS 56 2HB HIS 56 -8.266 -8.594 -6.605 370 HD1 HIS 56 1HD HIS 56 -7.585 -9.308 -8.890 371 HD2 HIS 56 2HD HIS 56 -11.391 -7.544 -8.871 372 HE1 HIS 56 1HE HIS 56 -8.368 -9.271 -11.318 373 H GLU 57 H GLU 57 -11.071 -10.895 -7.724 374 HA GLU 57 HA GLU 57 -10.984 -13.146 -6.362 375 HB3 GLU 57 2HB GLU 57 -9.655 -13.467 -8.988 376 HG3 GLU 57 2HG GLU 57 -11.093 -15.156 -7.628 377 HE2 GLU 57 HE GLU 57 -14.450 -15.158 -7.746 378 H GLN 58 H GLN 58 -8.167 -11.240 -7.370 379 HA GLN 58 HA GLN 58 -6.524 -13.154 -5.918 380 HB3 GLN 58 2HB GLN 58 -4.661 -12.527 -7.608 381 HG3 GLN 58 2HG GLN 58 -6.770 -14.497 -7.711 382 HE21 GLN 58 1HE2 GLN 58 -6.775 -15.998 -9.708 383 HE22 GLN 58 2HE2 GLN 58 -7.207 -15.261 -11.215 384 H ILE 59 H ILE 59 -5.326 -12.206 -4.309 385 HA ILE 59 HA ILE 59 -4.782 -9.340 -4.571 386 HB ILE 59 HB ILE 59 -5.952 -8.763 -2.792 387 HG13 ILE 59 2HG1 ILE 59 -4.190 -9.739 -1.344 388 HG21 ILE 59 1HG2 ILE 59 -7.668 -10.057 -3.829 389 HG22 ILE 59 2HG2 ILE 59 -7.049 -11.565 -3.112 390 HG23 ILE 59 3HG2 ILE 59 -7.780 -10.319 -2.072 391 HD11 ILE 59 3HD1 ILE 59 -6.509 -8.742 -0.540 392 HD12 ILE 59 1HD1 ILE 59 -6.847 -10.427 -0.077 393 HD13 ILE 59 2HD1 ILE 59 -5.452 -9.573 0.625 394 H ILE 60 H ILE 60 -3.015 -8.641 -3.002 395 HA ILE 60 HA ILE 60 -1.202 -10.889 -2.481 396 HB ILE 60 HB ILE 60 -0.537 -8.240 -3.768 397 HG13 ILE 60 2HG1 ILE 60 -1.349 -9.594 -5.474 398 HG21 ILE 60 1HG2 ILE 60 1.331 -10.451 -2.865 399 HG22 ILE 60 2HG2 ILE 60 1.788 -9.002 -3.793 400 HG23 ILE 60 3HG2 ILE 60 1.175 -8.836 -2.130 401 HD11 ILE 60 3HD1 ILE 60 0.976 -8.842 -5.968 402 HD12 ILE 60 1HD1 ILE 60 1.604 -10.344 -5.247 403 HD13 ILE 60 2HD1 ILE 60 0.619 -10.412 -6.729 404 H PHE 61 H PHE 61 0.473 -10.353 -0.802 405 HA PHE 61 HA PHE 61 -0.464 -8.238 0.992 406 HB3 PHE 61 2HB PHE 61 0.276 -10.118 2.773 407 HD1 PHE 61 1HD PHE 61 -1.807 -8.352 2.980 408 HD2 PHE 61 2HD PHE 61 -2.002 -12.281 1.390 409 HE1 PHE 61 1HE PHE 61 -4.262 -8.437 3.495 410 HE2 PHE 61 2HE PHE 61 -4.457 -12.367 1.905 411 HZ PHE 61 HZ PHE 61 -5.558 -10.444 2.951 412 H HIS 62 H HIS 62 1.209 -7.633 2.654 413 HA HIS 62 HA HIS 62 3.845 -8.562 2.365 414 HB3 HIS 62 2HB HIS 62 3.287 -7.010 0.268 415 HD1 HIS 62 1HD HIS 62 1.814 -4.867 0.717 416 HD2 HIS 62 2HD HIS 62 5.678 -4.727 2.346 417 HE1 HIS 62 1HE HIS 62 2.231 -2.433 1.357 418 H CYS 63 H CYS 63 5.347 -6.583 3.443 419 HA CYS 63 HA CYS 63 4.095 -4.930 5.276 420 HB3 CYS 63 2HB CYS 63 3.352 -7.102 6.296 421 HG CYS 63 HG CYS 63 5.799 -8.226 5.429 422 H GLN 64 H GLN 64 6.125 -5.278 7.409 423 HA GLN 64 HA GLN 64 8.139 -3.779 6.368 424 HB3 GLN 64 2HB GLN 64 7.935 -3.782 8.716 425 HG3 GLN 64 2HG GLN 64 7.254 -6.541 8.350 426 HE21 GLN 64 1HE2 GLN 64 9.443 -5.080 10.759 427 HE22 GLN 64 2HE2 GLN 64 10.421 -6.482 11.043 428 H ALA 65 H ALA 65 10.614 -4.510 6.498 429 HA ALA 65 HA ALA 65 10.841 -6.664 4.588 430 HB1 ALA 65 1HB ALA 65 12.300 -4.269 5.344 431 HB2 ALA 65 2HB ALA 65 13.389 -5.675 5.303 432 HB3 ALA 65 3HB ALA 65 12.431 -5.249 3.865 433 H GLY 66 H GLY 66 9.864 -7.959 6.659 434 HA2 GLY 66 1HA GLY 66 12.160 -9.443 7.685 435 HA3 GLY 66 2HA GLY 66 11.105 -8.698 8.869 436 H LYS 67 H LYS 67 10.106 -10.024 5.668 437 HA LYS 67 HA LYS 67 8.664 -11.600 5.116 438 HB3 LYS 67 2HB LYS 67 8.719 -13.717 6.628 439 HG3 LYS 67 2HG LYS 67 10.832 -12.508 4.886 440 HD3 LYS 67 2HD LYS 67 11.817 -13.835 7.058 441 HE3 LYS 67 2HE LYS 67 11.215 -15.946 4.932 442 HZ1 LYS 67 2HZ LYS 67 12.800 -17.244 5.914 443 HZ3 LYS 67 1HZ LYS 67 12.622 -16.598 7.398 444 H ARG 68 H ARG 68 8.026 -12.746 8.364 445 HA ARG 68 HA ARG 68 6.340 -12.554 9.703 446 HB3 ARG 68 2HB ARG 68 5.267 -10.440 10.090 447 HG3 ARG 68 2HG ARG 68 7.073 -8.785 9.932 448 HD3 ARG 68 2HD ARG 68 8.923 -10.049 10.940 449 HE ARG 68 HE ARG 68 6.653 -11.645 11.916 450 HH11 ARG 68 2HH2 ARG 68 8.249 -8.482 11.999 451 HH12 ARG 68 1HH2 ARG 68 7.523 -8.017 13.502 452 HH22 ARG 68 1HH ARG 68 6.026 -9.532 14.601 453 H THR 69 H THR 69 5.275 -11.042 6.558 454 HA THR 69 HA THR 69 2.678 -11.762 6.503 455 HB THR 69 HB THR 69 4.081 -12.266 3.941 456 HG1 THR 69 1HG THR 69 5.676 -10.827 4.510 457 HG21 THR 69 3HG2 THR 69 1.677 -11.211 4.532 458 HG22 THR 69 1HG2 THR 69 2.628 -9.712 4.660 459 HG23 THR 69 2HG2 THR 69 2.605 -10.624 3.131 460 H SER 70 H SER 70 5.466 -13.919 5.747 461 HA SER 70 HA SER 70 3.865 -16.052 4.968 462 HB3 SER 70 2HB SER 70 6.327 -16.977 6.178 463 HG SER 70 HG SER 70 6.874 -17.315 3.902 464 H ASN 71 H ASN 71 5.262 -15.033 8.134 465 HA ASN 71 HA ASN 71 4.657 -17.290 9.557 466 HB3 ASN 71 2HB ASN 71 4.257 -15.225 11.392 467 HD21 ASN 71 1HD2 ASN 71 7.239 -14.363 10.640 468 HD22 ASN 71 2HD2 ASN 71 8.193 -15.627 11.344 469 H ASN 72 H ASN 72 2.603 -14.867 8.118 470 HA ASN 72 HA ASN 72 0.364 -15.905 9.669 471 HB3 ASN 72 2HB ASN 72 -0.668 -13.737 9.695 472 HD21 ASN 72 1HD2 ASN 72 1.355 -15.056 11.201 473 HD22 ASN 72 2HD2 ASN 72 2.345 -13.860 11.971 474 H ALA 73 H ALA 73 1.307 -17.131 7.286 475 HA ALA 73 HA ALA 73 -0.333 -16.048 5.130 476 HB1 ALA 73 1HB ALA 73 1.238 -16.922 3.762 477 HB2 ALA 73 2HB ALA 73 2.219 -17.145 5.230 478 HB3 ALA 73 3HB ALA 73 1.226 -18.487 4.611 479 H ASP 74 H ASP 74 -0.892 -17.854 7.801 480 HA ASP 74 HA ASP 74 -2.553 -19.749 6.338 481 HB3 ASP 74 2HB ASP 74 -2.072 -20.045 9.290 482 HD2 ASP 74 HD ASP 74 -0.496 -22.371 7.810 483 H LYS 75 H LYS 75 -2.309 -17.262 8.910 484 HA LYS 75 HA LYS 75 -5.130 -17.524 9.544 485 HB3 LYS 75 2HB LYS 75 -3.759 -15.324 10.842 486 HG3 LYS 75 2HG LYS 75 -4.554 -16.434 12.830 487 HD3 LYS 75 2HD LYS 75 -6.794 -17.544 11.393 488 HE3 LYS 75 2HE LYS 75 -7.660 -15.091 12.076 489 HZ1 LYS 75 2HZ LYS 75 -8.463 -16.202 13.861 490 HZ3 LYS 75 1HZ LYS 75 -6.995 -16.605 14.439 491 H LEU 76 H LEU 76 -2.830 -14.921 8.466 492 HA LEU 76 HA LEU 76 -4.887 -13.134 7.804 493 HB3 LEU 76 2HB LEU 76 -2.022 -13.240 7.772 494 HG LEU 76 HG LEU 76 -2.491 -13.148 5.220 495 HD11 LEU 76 1HD1 LEU 76 -4.055 -11.657 4.643 496 HD12 LEU 76 2HD1 LEU 76 -3.904 -10.755 6.169 497 HD13 LEU 76 3HD1 LEU 76 -2.763 -10.448 4.838 498 HD21 LEU 76 3HD2 LEU 76 -0.619 -11.698 4.876 499 HD22 LEU 76 1HD2 LEU 76 -0.872 -10.904 6.449 500 HD23 LEU 76 2HD2 LEU 76 -0.346 -12.604 6.384 501 H ALA 77 H ALA 77 -3.648 -16.001 6.257 502 HA ALA 77 HA ALA 77 -4.375 -15.246 3.604 503 HB1 ALA 77 1HB ALA 77 -2.616 -16.887 4.036 504 HB2 ALA 77 2HB ALA 77 -3.766 -17.932 4.905 505 HB3 ALA 77 3HB ALA 77 -3.953 -17.665 3.154 506 H ALA 78 H ALA 78 -5.785 -17.462 6.118 507 HA ALA 78 HA ALA 78 -8.041 -18.171 4.699 508 HB1 ALA 78 1HB ALA 78 -7.369 -19.310 6.725 509 HB2 ALA 78 2HB ALA 78 -7.554 -17.821 7.682 510 HB3 ALA 78 3HB ALA 78 -8.988 -18.621 6.993 511 H ILE 79 H ILE 79 -7.115 -15.099 6.064 512 HA ILE 79 HA ILE 79 -9.689 -14.076 6.550 513 HB ILE 79 HB ILE 79 -6.927 -13.054 6.342 514 HG13 ILE 79 2HG1 ILE 79 -8.406 -13.768 8.414 515 HG21 ILE 79 1HG2 ILE 79 -7.581 -11.325 5.025 516 HG22 ILE 79 2HG2 ILE 79 -9.290 -11.447 5.510 517 HG23 ILE 79 3HG2 ILE 79 -8.109 -10.672 6.594 518 HD11 ILE 79 3HD1 ILE 79 -6.371 -13.078 9.188 519 HD12 ILE 79 1HD1 ILE 79 -6.275 -11.747 8.010 520 HD13 ILE 79 2HD1 ILE 79 -7.199 -11.537 9.516 521 H ALA 80 H ALA 80 -7.464 -13.904 3.696 522 HA ALA 80 HA ALA 80 -9.549 -12.614 2.160 523 HB1 ALA 80 1HB ALA 80 -6.942 -13.599 1.023 524 HB2 ALA 80 2HB ALA 80 -7.862 -12.124 0.640 525 HB3 ALA 80 3HB ALA 80 -6.930 -12.224 2.153 526 H ALA 81 H ALA 81 -7.916 -15.789 2.504 527 HA ALA 81 HA ALA 81 -8.622 -17.110 0.289 528 HB1 ALA 81 1HB ALA 81 -8.066 -18.934 1.516 529 HB2 ALA 81 2HB ALA 81 -7.726 -17.764 2.813 530 HB3 ALA 81 3HB ALA 81 -9.300 -18.594 2.752 531 HA PRO 82 HA PRO 82 -9.412 -19.198 0.139 532 HB3 PRO 82 2HB PRO 82 -10.869 -20.917 -0.334 533 HG3 PRO 82 2HG PRO 82 -13.090 -20.304 -0.412 534 HD3 PRO 82 2HD PRO 82 -13.040 -18.424 0.912 535 H ALA 83 H ALA 83 -10.500 -16.390 -1.087 536 HA ALA 83 HA ALA 83 -9.755 -16.248 -3.670 537 HB1 ALA 83 1HB ALA 83 -9.358 -14.309 -1.368 538 HB2 ALA 83 2HB ALA 83 -9.016 -13.869 -3.059 539 HB3 ALA 83 3HB ALA 83 -10.666 -14.336 -2.577 540 H GLU 84 H GLU 84 -7.837 -16.004 -4.877 541 HA GLU 84 HA GLU 84 -5.633 -17.349 -3.810 542 HB3 GLU 84 2HB GLU 84 -4.549 -16.367 -6.018 543 HG3 GLU 84 2HG GLU 84 -6.056 -17.979 -7.379 544 HE2 GLU 84 HE GLU 84 -3.246 -18.118 -6.102 545 H ILE 85 H ILE 85 -4.016 -16.591 -2.518 546 HA ILE 85 HA ILE 85 -3.566 -13.686 -2.549 547 HB ILE 85 HB ILE 85 -3.939 -15.622 -0.362 548 HG13 ILE 85 2HG1 ILE 85 -4.154 -12.622 -0.232 549 HG21 ILE 85 1HG2 ILE 85 -2.473 -14.275 1.173 550 HG22 ILE 85 2HG2 ILE 85 -1.609 -15.307 0.010 551 HG23 ILE 85 3HG2 ILE 85 -1.732 -13.555 -0.276 552 HD11 ILE 85 3HD1 ILE 85 -5.422 -13.015 -2.198 553 HD12 ILE 85 1HD1 ILE 85 -5.967 -14.612 -1.633 554 HD13 ILE 85 2HD1 ILE 85 -6.626 -13.133 -0.893 555 H PHE 86 H PHE 86 -1.307 -13.006 -2.114 556 HA PHE 86 HA PHE 86 0.696 -15.051 -2.484 557 HB3 PHE 86 2HB PHE 86 1.546 -14.000 -4.552 558 HD1 PHE 86 1HD PHE 86 0.549 -16.292 -5.046 559 HD2 PHE 86 2HD PHE 86 -1.686 -12.698 -5.355 560 HE1 PHE 86 1HE PHE 86 -1.125 -17.459 -6.508 561 HE2 PHE 86 2HE PHE 86 -3.360 -13.864 -6.817 562 HZ PHE 86 HZ PHE 86 -3.060 -16.230 -7.377 563 H LEU 87 H LEU 87 2.974 -13.953 -2.523 564 HA LEU 87 HA LEU 87 2.851 -11.596 -0.771 565 HB3 LEU 87 2HB LEU 87 4.871 -12.443 0.317 566 HG LEU 87 HG LEU 87 2.444 -14.215 0.340 567 HD11 LEU 87 1HD1 LEU 87 4.139 -15.839 0.652 568 HD12 LEU 87 2HD1 LEU 87 5.072 -14.770 1.726 569 HD13 LEU 87 3HD1 LEU 87 3.517 -15.443 2.272 570 HD21 LEU 87 3HD2 LEU 87 3.591 -12.049 1.997 571 HD22 LEU 87 1HD2 LEU 87 1.896 -12.494 1.689 572 HD23 LEU 87 2HD2 LEU 87 2.852 -13.401 2.887 573 H LEU 88 H LEU 88 3.891 -9.805 -1.490 574 HA LEU 88 HA LEU 88 4.715 -9.452 -4.013 575 HB3 LEU 88 2HB LEU 88 6.201 -8.091 -1.795 576 HG LEU 88 HG LEU 88 6.554 -7.260 -4.093 577 HD11 LEU 88 1HD1 LEU 88 3.551 -6.890 -4.068 578 HD12 LEU 88 2HD1 LEU 88 4.640 -6.079 -5.220 579 HD13 LEU 88 3HD1 LEU 88 4.532 -7.856 -5.197 580 HD21 LEU 88 3HD2 LEU 88 5.417 -5.660 -1.889 581 HD22 LEU 88 1HD2 LEU 88 6.939 -5.470 -2.791 582 HD23 LEU 88 2HD2 LEU 88 5.414 -4.868 -3.483 583 H GLU 89 H GLU 89 6.830 -10.491 -1.258 584 HA GLU 89 HA GLU 89 8.249 -12.289 -2.705 585 HB3 GLU 89 2HB GLU 89 9.100 -10.547 -4.155 586 HG3 GLU 89 2HG GLU 89 10.641 -8.774 -2.881 587 HE2 GLU 89 HE GLU 89 9.137 -8.724 -4.959 588 H ASP 90 H ASP 90 8.289 -9.710 -0.225 589 HA ASP 90 HA ASP 90 8.559 -11.248 1.902 590 HB3 ASP 90 2HB ASP 90 10.609 -12.274 1.464 591 HD2 ASP 90 HD ASP 90 12.526 -9.425 1.244 592 H GLY 91 H GLY 91 7.263 -9.162 2.168 593 HA2 GLY 91 1HA GLY 91 7.146 -7.294 3.502 594 HA3 GLY 91 2HA GLY 91 8.891 -7.138 3.476 595 H ILE 92 H ILE 92 9.876 -5.743 2.015 596 HA ILE 92 HA ILE 92 8.418 -4.892 -0.318 597 HB ILE 92 HB ILE 92 7.928 -3.485 1.958 598 HG13 ILE 92 2HG1 ILE 92 7.168 -1.670 0.401 599 HG21 ILE 92 1HG2 ILE 92 10.446 -2.825 1.799 600 HG22 ILE 92 2HG2 ILE 92 9.886 -1.716 0.524 601 HG23 ILE 92 3HG2 ILE 92 9.224 -1.585 2.171 602 HD11 ILE 92 3HD1 ILE 92 9.128 -2.216 -1.259 603 HD12 ILE 92 1HD1 ILE 92 8.053 -3.511 -1.837 604 HD13 ILE 92 2HD1 ILE 92 7.529 -1.813 -1.928 605 H ASP 93 H ASP 93 10.916 -6.376 0.504 606 HA ASP 93 HA ASP 93 12.991 -4.529 -0.173 607 HB3 ASP 93 2HB ASP 93 12.847 -7.477 0.522 608 HD2 ASP 93 HD ASP 93 16.073 -8.300 -0.350 609 H GLY 94 H GLY 94 10.597 -5.985 -1.919 610 HA2 GLY 94 1HA GLY 94 12.252 -6.964 -4.129 611 HA3 GLY 94 2HA GLY 94 10.519 -7.139 -3.939 612 H TRP 95 H TRP 95 9.304 -4.854 -3.787 613 HA TRP 95 HA TRP 95 9.286 -3.687 -6.192 614 HB3 TRP 95 2HB TRP 95 8.814 -2.310 -3.542 615 HD1 TRP 95 HD TRP 95 8.420 0.233 -3.931 616 HE1 TRP 95 1HE TRP 95 7.469 1.835 -5.800 617 HE3 TRP 95 3HE TRP 95 7.457 -3.434 -7.319 618 HZ2 TRP 95 2HZ TRP 95 6.444 1.398 -8.428 619 HZ3 TRP 95 3HZ TRP 95 6.482 -2.761 -9.512 620 HH2 TRP 95 HH TRP 95 5.977 -0.441 -10.090 621 H LYS 96 H LYS 96 11.536 -3.043 -3.472 622 HA LYS 96 HA LYS 96 12.755 -0.819 -4.789 623 HB3 LYS 96 2HB LYS 96 13.758 -2.420 -2.420 624 HG3 LYS 96 2HG LYS 96 14.853 -0.234 -3.892 625 HD3 LYS 96 2HD LYS 96 13.700 0.571 -1.181 626 HE3 LYS 96 2HE LYS 96 15.316 2.479 -2.830 627 HZ1 LYS 96 2HZ LYS 96 14.285 3.007 -0.641 628 HZ3 LYS 96 1HZ LYS 96 15.897 3.231 -0.626 629 H LYS 97 H LYS 97 13.555 -4.301 -4.230 630 HA LYS 97 HA LYS 97 16.043 -4.430 -5.246 631 HB3 LYS 97 2HB LYS 97 14.323 -6.580 -6.260 632 HG3 LYS 97 2HG LYS 97 16.355 -6.633 -3.998 633 HD3 LYS 97 2HD LYS 97 16.702 -8.795 -5.759 634 HE3 LYS 97 2HE LYS 97 14.841 -9.002 -3.380 635 HZ1 LYS 97 2HZ LYS 97 15.535 -11.113 -3.571 636 HZ3 LYS 97 1HZ LYS 97 17.094 -10.683 -3.384 637 H ALA 98 H ALA 98 13.108 -5.005 -7.317 638 HA ALA 98 HA ALA 98 14.369 -4.939 -9.727 639 HB1 ALA 98 1HB ALA 98 12.045 -3.959 -10.478 640 HB2 ALA 98 2HB ALA 98 12.126 -5.583 -9.753 641 HB3 ALA 98 3HB ALA 98 11.609 -4.193 -8.768 642 H GLY 99 H GLY 99 13.769 -2.298 -7.476 643 HA2 GLY 99 1HA GLY 99 14.927 -0.290 -7.553 644 HA3 GLY 99 2HA GLY 99 15.214 -0.497 -9.270 645 H LEU 100 H LEU 100 12.128 -0.710 -7.372 646 HA LEU 100 HA LEU 100 11.098 1.423 -9.110 647 HB3 LEU 100 2HB LEU 100 8.910 0.429 -8.831 648 HG LEU 100 HG LEU 100 11.103 -1.194 -9.966 649 HD11 LEU 100 1HD1 LEU 100 8.555 -2.675 -10.000 650 HD12 LEU 100 2HD1 LEU 100 10.231 -3.259 -9.863 651 HD13 LEU 100 3HD1 LEU 100 9.384 -2.641 -8.426 652 HD21 LEU 100 3HD2 LEU 100 10.058 -0.789 -11.933 653 HD22 LEU 100 1HD2 LEU 100 8.429 -0.975 -11.241 654 HD23 LEU 100 2HD2 LEU 100 9.332 0.539 -10.996 655 HA PRO 101 HA PRO 101 10.829 3.664 -5.395 656 HB3 PRO 101 2HB PRO 101 11.490 5.609 -6.435 657 HG3 PRO 101 2HG PRO 101 11.314 5.581 -8.735 658 HD3 PRO 101 2HD PRO 101 11.419 3.317 -9.123 659 H VAL 102 H VAL 102 9.454 3.771 -3.704 660 HA VAL 102 HA VAL 102 6.808 2.839 -4.283 661 HB VAL 102 HB VAL 102 6.593 2.575 -1.986 662 HG11 VAL 102 1HG1 VAL 102 9.144 1.891 -3.188 663 HG12 VAL 102 2HG1 VAL 102 9.306 2.117 -1.430 664 HG13 VAL 102 3HG1 VAL 102 8.124 0.951 -2.072 665 HG21 VAL 102 3HG2 VAL 102 8.874 4.519 -1.505 666 HG22 VAL 102 1HG2 VAL 102 7.147 4.941 -1.406 667 HG23 VAL 102 2HG2 VAL 102 7.837 3.748 -0.281 668 H ALA 103 H ALA 103 5.004 4.101 -2.826 669 HA ALA 103 HA ALA 103 4.793 6.644 -4.136 670 HB1 ALA 103 1HB ALA 103 2.557 6.461 -3.643 671 HB2 ALA 103 2HB ALA 103 3.001 4.744 -3.488 672 HB3 ALA 103 3HB ALA 103 2.856 5.761 -2.034 673 H VAL 104 H VAL 104 6.631 7.771 -3.189 674 HA VAL 104 HA VAL 104 6.333 8.338 -0.336 675 HB VAL 104 HB VAL 104 8.646 9.547 -1.183 676 HG11 VAL 104 1HG1 VAL 104 9.544 7.088 -0.384 677 HG12 VAL 104 2HG1 VAL 104 9.020 8.388 0.715 678 HG13 VAL 104 3HG1 VAL 104 7.887 7.090 0.266 679 HG21 VAL 104 3HG2 VAL 104 8.380 6.937 -2.714 680 HG22 VAL 104 1HG2 VAL 104 8.420 8.566 -3.432 681 HG23 VAL 104 2HG2 VAL 104 9.848 7.934 -2.577 682 H ASN 105 H ASN 105 4.323 9.602 -0.947 683 HA ASN 105 HA ASN 105 4.728 11.947 -2.475 684 HB3 ASN 105 2HB ASN 105 2.412 11.823 -0.578 685 HD21 ASN 105 1HD2 ASN 105 0.638 12.755 -1.461 686 HD22 ASN 105 2HD2 ASN 105 0.598 13.528 -3.010 687 H LYS 106 H LYS 106 4.192 14.193 -1.451 688 HA LYS 106 HA LYS 106 4.458 15.769 0.084 689 HB3 LYS 106 2HB LYS 106 4.829 13.686 2.240 690 HG3 LYS 106 2HG LYS 106 4.666 16.537 2.187 691 HD3 LYS 106 2HD LYS 106 2.243 15.285 3.558 692 HE3 LYS 106 2HE LYS 106 3.514 17.989 3.483 693 HZ1 LYS 106 2HZ LYS 106 0.883 17.639 2.522 694 HZ3 LYS 106 1HZ LYS 106 1.683 19.038 2.754 695 H SER 107 H SER 107 6.626 13.058 1.178 696 HA SER 107 HA SER 107 8.803 14.973 0.971 697 HB3 SER 107 2HB SER 107 8.895 12.259 2.342 698 HG SER 107 HG SER 107 10.861 12.919 2.831 699 H GLN 108 H GLN 108 10.821 14.316 -0.086 700 HA GLN 108 HA GLN 108 10.631 11.881 -1.635 701 HB3 GLN 108 2HB GLN 108 11.739 14.021 -3.284 702 HG3 GLN 108 2HG GLN 108 9.800 11.766 -3.454 703 HE21 GLN 108 1HE2 GLN 108 9.400 11.872 -6.198 704 HE22 GLN 108 2HE2 GLN 108 8.218 13.078 -6.582 Start of MODEL 7 1 H1 ALA 1 H ALA 1 -3.437 -18.921 -3.845 2 HA ALA 1 HA ALA 1 -3.733 -19.243 -1.405 3 HB1 ALA 1 1HB ALA 1 -2.630 -21.230 -0.441 4 HB2 ALA 1 2HB ALA 1 -3.927 -21.700 -1.566 5 HB3 ALA 1 3HB ALA 1 -2.225 -21.802 -2.077 6 H LEU 2 H LEU 2 -1.448 -19.571 0.048 7 HA LEU 2 HA LEU 2 0.087 -17.415 -0.662 8 HB3 LEU 2 2HB LEU 2 1.799 -18.545 0.899 9 HG LEU 2 HG LEU 2 0.471 -18.225 2.930 10 HD11 LEU 2 1HD1 LEU 2 1.418 -16.298 1.567 11 HD12 LEU 2 2HD1 LEU 2 -0.245 -16.020 0.994 12 HD13 LEU 2 3HD1 LEU 2 0.130 -15.903 2.731 13 HD21 LEU 2 3HD2 LEU 2 -1.619 -19.258 2.166 14 HD22 LEU 2 1HD2 LEU 2 -1.892 -17.637 2.848 15 HD23 LEU 2 2HD2 LEU 2 -1.907 -17.874 1.084 16 H THR 3 H THR 3 1.181 -17.106 -2.527 17 HA THR 3 HA THR 3 2.916 -19.310 -3.411 18 HB THR 3 HB THR 3 0.898 -17.648 -4.976 19 HG1 THR 3 1HG THR 3 0.436 -19.895 -5.630 20 HG21 THR 3 3HG2 THR 3 2.134 -19.263 -6.842 21 HG22 THR 3 1HG2 THR 3 2.486 -17.529 -6.654 22 HG23 THR 3 2HG2 THR 3 3.532 -18.739 -5.874 23 H THR 4 H THR 4 3.975 -17.551 -1.690 24 HA THR 4 HA THR 4 4.866 -15.178 -2.094 25 HB THR 4 HB THR 4 7.196 -16.018 -1.462 26 HG1 THR 4 1HG THR 4 5.732 -18.538 -1.817 27 HG21 THR 4 3HG2 THR 4 5.727 -17.888 0.189 28 HG22 THR 4 1HG2 THR 4 6.361 -16.289 0.646 29 HG23 THR 4 2HG2 THR 4 4.723 -16.434 -0.035 30 H ILE 5 H ILE 5 4.719 -14.126 -4.028 31 HA ILE 5 HA ILE 5 6.182 -15.258 -6.273 32 HB ILE 5 HB ILE 5 4.027 -14.599 -6.865 33 HG13 ILE 5 2HG1 ILE 5 5.671 -13.907 -8.500 34 HG21 ILE 5 1HG2 ILE 5 3.517 -11.982 -6.388 35 HG22 ILE 5 2HG2 ILE 5 3.002 -13.315 -5.327 36 HG23 ILE 5 3HG2 ILE 5 4.477 -12.395 -4.948 37 HD11 ILE 5 3HD1 ILE 5 4.177 -11.410 -8.651 38 HD12 ILE 5 1HD1 ILE 5 4.057 -12.853 -9.687 39 HD13 ILE 5 2HD1 ILE 5 3.101 -12.750 -8.189 40 H SER 6 H SER 6 7.799 -14.029 -7.436 41 HA SER 6 HA SER 6 9.400 -12.536 -5.604 42 HB3 SER 6 2HB SER 6 10.388 -12.541 -8.349 43 HG SER 6 HG SER 6 12.165 -13.478 -7.378 44 HA PRO 7 HA PRO 7 8.675 -8.574 -7.292 45 HB3 PRO 7 2HB PRO 7 10.464 -7.578 -6.238 46 HG3 PRO 7 2HG PRO 7 12.236 -8.990 -5.808 47 HD3 PRO 7 2HD PRO 7 11.146 -11.014 -5.772 48 H HIS 8 H HIS 8 9.162 -6.849 -9.131 49 HA HIS 8 HA HIS 8 9.092 -6.411 -11.282 50 HB3 HIS 8 2HB HIS 8 10.814 -8.772 -11.193 51 HD1 HIS 8 1HD HIS 8 8.793 -7.279 -14.106 52 HD2 HIS 8 2HD HIS 8 10.857 -10.771 -13.039 53 HE1 HIS 8 1HE HIS 8 8.494 -8.907 -16.047 54 H ASP 9 H ASP 9 8.293 -9.943 -10.917 55 HA ASP 9 HA ASP 9 6.368 -9.985 -12.852 56 HB3 ASP 9 2HB ASP 9 5.390 -11.886 -11.270 57 HD2 ASP 9 HD ASP 9 5.778 -13.655 -12.273 58 H ALA 10 H ALA 10 6.237 -9.114 -9.355 59 HA ALA 10 HA ALA 10 3.457 -8.994 -9.105 60 HB1 ALA 10 1HB ALA 10 4.462 -7.127 -7.326 61 HB2 ALA 10 2HB ALA 10 4.335 -8.876 -7.022 62 HB3 ALA 10 3HB ALA 10 5.866 -8.184 -7.610 63 H GLN 11 H GLN 11 5.928 -6.603 -10.179 64 HA GLN 11 HA GLN 11 4.318 -4.395 -10.207 65 HB3 GLN 11 2HB GLN 11 6.544 -5.111 -12.167 66 HG3 GLN 11 2HG GLN 11 6.193 -2.311 -11.268 67 HE21 GLN 11 1HE2 GLN 11 5.463 -1.371 -13.804 68 HE22 GLN 11 2HE2 GLN 11 6.729 -1.711 -14.936 69 H GLU 12 H GLU 12 4.141 -7.271 -12.141 70 HA GLU 12 HA GLU 12 2.783 -5.927 -14.291 71 HB3 GLU 12 2HB GLU 12 2.666 -8.863 -14.314 72 HG3 GLU 12 2HG GLU 12 4.450 -7.398 -16.188 73 HE2 GLU 12 HE GLU 12 2.959 -8.663 -18.677 74 H LEU 13 H LEU 13 1.976 -8.848 -12.268 75 HA LEU 13 HA LEU 13 -0.664 -8.977 -12.736 76 HB3 LEU 13 2HB LEU 13 0.328 -10.657 -11.465 77 HG LEU 13 HG LEU 13 1.904 -8.823 -10.211 78 HD11 LEU 13 1HD1 LEU 13 0.143 -8.010 -8.757 79 HD12 LEU 13 2HD1 LEU 13 -0.185 -9.663 -8.183 80 HD13 LEU 13 3HD1 LEU 13 1.369 -8.882 -7.804 81 HD21 LEU 13 3HD2 LEU 13 1.326 -11.703 -9.887 82 HD22 LEU 13 1HD2 LEU 13 2.864 -10.857 -10.185 83 HD23 LEU 13 2HD2 LEU 13 2.197 -10.935 -8.537 84 H ILE 14 H ILE 14 0.971 -6.797 -10.361 85 HA ILE 14 HA ILE 14 -1.288 -5.712 -9.230 86 HB ILE 14 HB ILE 14 1.542 -5.044 -9.489 87 HG13 ILE 14 2HG1 ILE 14 -0.144 -5.931 -7.521 88 HG21 ILE 14 1HG2 ILE 14 1.317 -2.701 -8.785 89 HG22 ILE 14 2HG2 ILE 14 0.680 -2.971 -10.425 90 HG23 ILE 14 3HG2 ILE 14 -0.441 -2.794 -9.053 91 HD11 ILE 14 3HD1 ILE 14 1.859 -5.078 -5.993 92 HD12 ILE 14 1HD1 ILE 14 2.134 -6.353 -7.203 93 HD13 ILE 14 2HD1 ILE 14 2.600 -4.673 -7.560 94 H ALA 15 H ALA 15 0.325 -4.982 -12.351 95 HA ALA 15 HA ALA 15 -1.483 -2.791 -12.856 96 HB1 ALA 15 1HB ALA 15 0.740 -2.510 -13.661 97 HB2 ALA 15 2HB ALA 15 0.768 -4.137 -14.383 98 HB3 ALA 15 3HB ALA 15 -0.242 -2.862 -15.103 99 H ARG 16 H ARG 16 -2.103 -5.935 -12.568 100 HA ARG 16 HA ARG 16 -3.629 -6.052 -15.042 101 HB3 ARG 16 2HB ARG 16 -3.712 -8.527 -14.653 102 HG3 ARG 16 2HG ARG 16 -1.096 -8.873 -14.659 103 HD3 ARG 16 2HD ARG 16 -1.979 -6.950 -16.811 104 HE ARG 16 HE ARG 16 -0.022 -8.140 -17.452 105 HH11 ARG 16 2HH2 ARG 16 -2.609 -10.378 -16.529 106 HH12 ARG 16 1HH2 ARG 16 -1.816 -11.765 -17.199 107 HH22 ARG 16 1HH ARG 16 0.318 -11.501 -18.256 108 H GLY 17 H GLY 17 -3.692 -6.136 -11.490 109 HA2 GLY 17 1HA GLY 17 -6.099 -5.198 -10.954 110 HA3 GLY 17 2HA GLY 17 -6.527 -6.834 -11.414 111 H ALA 18 H ALA 18 -3.672 -7.672 -10.380 112 HA ALA 18 HA ALA 18 -4.333 -8.858 -8.079 113 HB1 ALA 18 1HB ALA 18 -2.000 -8.372 -9.538 114 HB2 ALA 18 2HB ALA 18 -1.632 -7.734 -7.918 115 HB3 ALA 18 3HB ALA 18 -2.151 -9.426 -8.112 116 H LYS 19 H LYS 19 -5.488 -7.989 -6.414 117 HA LYS 19 HA LYS 19 -4.958 -5.266 -5.613 118 HB3 LYS 19 2HB LYS 19 -6.802 -6.730 -3.919 119 HG3 LYS 19 2HG LYS 19 -6.817 -4.277 -4.221 120 HD3 LYS 19 2HD LYS 19 -8.022 -4.380 -6.930 121 HE3 LYS 19 2HE LYS 19 -7.586 -2.213 -6.022 122 HZ1 LYS 19 2HZ LYS 19 -5.067 -1.849 -5.397 123 HZ3 LYS 19 1HZ LYS 19 -5.099 -3.447 -5.082 124 H LEU 20 H LEU 20 -2.966 -5.095 -4.626 125 HA LEU 20 HA LEU 20 -2.224 -7.093 -2.671 126 HB3 LEU 20 2HB LEU 20 -0.878 -4.797 -4.034 127 HG LEU 20 HG LEU 20 -0.218 -4.688 -1.594 128 HD11 LEU 20 1HD1 LEU 20 1.562 -6.969 -1.690 129 HD12 LEU 20 2HD1 LEU 20 0.387 -6.488 -0.442 130 HD13 LEU 20 3HD1 LEU 20 -0.139 -7.475 -1.828 131 HD21 LEU 20 3HD2 LEU 20 1.270 -3.719 -3.130 132 HD22 LEU 20 1HD2 LEU 20 2.277 -4.799 -2.135 133 HD23 LEU 20 2HD2 LEU 20 1.782 -5.299 -3.770 134 H ILE 21 H ILE 21 -1.946 -6.706 -0.433 135 HA ILE 21 HA ILE 21 -3.199 -4.214 0.489 136 HB ILE 21 HB ILE 21 -3.388 -6.747 2.061 137 HG13 ILE 21 2HG1 ILE 21 -5.409 -7.424 0.947 138 HG21 ILE 21 1HG2 ILE 21 -4.278 -4.096 2.366 139 HG22 ILE 21 2HG2 ILE 21 -5.727 -5.062 1.997 140 HG23 ILE 21 3HG2 ILE 21 -4.685 -5.510 3.368 141 HD11 ILE 21 3HD1 ILE 21 -6.430 -5.434 0.145 142 HD12 ILE 21 1HD1 ILE 21 -4.944 -4.901 -0.678 143 HD13 ILE 21 2HD1 ILE 21 -5.887 -6.258 -1.336 144 H ASP 22 H ASP 22 -2.371 -3.351 2.511 145 HA ASP 22 HA ASP 22 0.396 -4.152 2.853 146 HB3 ASP 22 2HB ASP 22 -0.863 -1.644 2.608 147 HD2 ASP 22 HD ASP 22 -1.004 0.156 5.451 148 H ILE 23 H ILE 23 0.633 -5.609 4.563 149 HA ILE 23 HA ILE 23 -1.086 -5.181 6.908 150 HB ILE 23 HB ILE 23 -1.052 -7.488 7.321 151 HG13 ILE 23 2HG1 ILE 23 1.455 -7.433 5.921 152 HG21 ILE 23 1HG2 ILE 23 -2.696 -7.058 5.716 153 HG22 ILE 23 2HG2 ILE 23 -1.503 -6.828 4.415 154 HG23 ILE 23 3HG2 ILE 23 -1.807 -8.456 5.066 155 HD11 ILE 23 3HD1 ILE 23 1.192 -9.969 6.883 156 HD12 ILE 23 1HD1 ILE 23 1.606 -8.577 7.912 157 HD13 ILE 23 2HD1 ILE 23 -0.076 -9.152 7.827 158 H ARG 24 H ARG 24 0.839 -3.425 7.005 159 HA ARG 24 HA ARG 24 2.784 -4.687 8.752 160 HB3 ARG 24 2HB ARG 24 4.385 -4.201 7.186 161 HG3 ARG 24 2HG ARG 24 2.151 -2.592 5.952 162 HD3 ARG 24 2HD ARG 24 4.394 -2.388 4.219 163 HE ARG 24 HE ARG 24 2.699 -0.461 5.707 164 HH11 ARG 24 2HH2 ARG 24 5.086 -0.977 3.140 165 HH12 ARG 24 1HH2 ARG 24 4.760 0.536 2.362 166 HH22 ARG 24 1HH ARG 24 3.100 1.996 3.285 167 H ASP 25 H ASP 25 1.469 -1.514 7.539 168 HA ASP 25 HA ASP 25 0.510 -0.734 9.984 169 HB3 ASP 25 2HB ASP 25 2.767 1.119 9.560 170 HD2 ASP 25 HD ASP 25 2.821 -1.322 11.884 171 H ALA 26 H ALA 26 0.718 2.075 9.845 172 HA ALA 26 HA ALA 26 -0.181 2.612 7.098 173 HB1 ALA 26 1HB ALA 26 -0.961 4.101 9.629 174 HB2 ALA 26 2HB ALA 26 -1.722 4.198 8.023 175 HB3 ALA 26 3HB ALA 26 -1.878 2.713 8.994 176 H ASP 27 H ASP 27 1.507 3.973 10.002 177 HA ASP 27 HA ASP 27 2.296 6.328 9.165 178 HB3 ASP 27 2HB ASP 27 4.297 6.082 10.517 179 HD2 ASP 27 HD ASP 27 3.407 4.316 13.392 180 H GLU 28 H GLU 28 3.712 3.148 8.168 181 HA GLU 28 HA GLU 28 5.832 4.090 6.722 182 HB3 GLU 28 2HB GLU 28 5.887 1.910 5.679 183 HG3 GLU 28 2HG GLU 28 5.807 0.489 7.577 184 HE2 GLU 28 HE GLU 28 6.631 2.076 10.386 185 H TYR 29 H TYR 29 2.441 3.403 5.633 186 HA TYR 29 HA TYR 29 2.694 3.913 2.971 187 HB3 TYR 29 2HB TYR 29 0.510 4.884 4.918 188 HD1 TYR 29 1HD TYR 29 0.147 6.636 3.019 189 HD2 TYR 29 2HD TYR 29 -0.448 2.429 2.518 190 HE1 TYR 29 1HE TYR 29 -1.332 7.079 1.000 191 HE2 TYR 29 2HE TYR 29 -1.925 2.887 0.499 192 HH TYR 29 HH TYR 29 -2.913 4.392 -0.700 193 H LEU 30 H LEU 30 2.692 6.235 5.683 194 HA LEU 30 HA LEU 30 2.106 8.546 4.310 195 HB3 LEU 30 2HB LEU 30 4.154 8.364 6.508 196 HG LEU 30 HG LEU 30 2.162 10.436 5.636 197 HD11 LEU 30 1HD1 LEU 30 2.306 9.526 8.299 198 HD12 LEU 30 2HD1 LEU 30 3.201 11.064 8.247 199 HD13 LEU 30 3HD1 LEU 30 1.515 10.996 7.682 200 HD21 LEU 30 3HD2 LEU 30 4.948 10.206 5.545 201 HD22 LEU 30 1HD2 LEU 30 3.970 11.659 5.226 202 HD23 LEU 30 2HD2 LEU 30 4.620 11.364 6.857 203 H ARG 31 H ARG 31 5.497 7.724 5.285 204 HA ARG 31 HA ARG 31 6.580 9.365 3.362 205 HB3 ARG 31 2HB ARG 31 8.658 7.716 3.803 206 HG3 ARG 31 2HG ARG 31 8.476 8.783 6.344 207 HD3 ARG 31 2HD ARG 31 9.589 9.576 3.745 208 HE ARG 31 HE ARG 31 8.749 11.771 3.868 209 HH11 ARG 31 2HH2 ARG 31 9.834 10.746 7.081 210 HH12 ARG 31 1HH2 ARG 31 9.682 12.327 7.773 211 HH22 ARG 31 1HH ARG 31 8.925 14.140 6.402 212 H GLU 32 H GLU 32 6.768 5.722 3.463 213 HA GLU 32 HA GLU 32 6.989 5.793 0.571 214 HB3 GLU 32 2HB GLU 32 7.554 3.251 1.047 215 HG3 GLU 32 2HG GLU 32 9.133 5.225 0.391 216 HE2 GLU 32 HE GLU 32 11.387 6.404 2.618 217 H HIS 33 H HIS 33 6.030 3.420 -0.304 218 HA HIS 33 HA HIS 33 3.462 2.934 0.918 219 HB3 HIS 33 2HB HIS 33 3.698 3.961 -1.924 220 HD1 HIS 33 1HD HIS 33 1.086 4.631 -2.736 221 HD2 HIS 33 2HD HIS 33 1.586 1.491 -0.000 222 HE1 HIS 33 1HE HIS 33 -1.059 3.252 -2.831 223 H ILE 34 H ILE 34 3.507 2.091 -2.393 224 HA ILE 34 HA ILE 34 5.222 -0.033 -2.547 225 HB ILE 34 HB ILE 34 3.313 -0.587 -0.604 226 HG13 ILE 34 2HG1 ILE 34 5.227 -1.766 -0.322 227 HG21 ILE 34 1HG2 ILE 34 1.834 -2.210 -1.401 228 HG22 ILE 34 2HG2 ILE 34 1.752 -0.915 -2.619 229 HG23 ILE 34 3HG2 ILE 34 2.702 -2.385 -2.945 230 HD11 ILE 34 3HD1 ILE 34 4.824 -4.067 -0.542 231 HD12 ILE 34 1HD1 ILE 34 3.175 -3.407 -0.657 232 HD13 ILE 34 2HD1 ILE 34 4.048 -3.881 -2.133 233 HA PRO 35 HA PRO 35 3.369 -0.151 -6.446 234 HB3 PRO 35 2HB PRO 35 4.982 -1.542 -7.318 235 HG3 PRO 35 2HG PRO 35 6.026 -2.896 -5.771 236 HD3 PRO 35 2HD PRO 35 5.686 -1.667 -3.858 237 H GLU 36 H GLU 36 1.297 0.359 -5.250 238 HA GLU 36 HA GLU 36 -0.880 0.149 -5.513 239 HB3 GLU 36 2HB GLU 36 -1.008 -2.678 -6.418 240 HG3 GLU 36 2HG GLU 36 -1.912 -0.426 -8.144 241 HE2 GLU 36 HE GLU 36 -2.941 -3.831 -6.827 242 H ALA 37 H ALA 37 -1.573 0.162 -3.406 243 HA ALA 37 HA ALA 37 -2.351 -2.240 -2.182 244 HB1 ALA 37 1HB ALA 37 0.260 -0.996 -1.268 245 HB2 ALA 37 2HB ALA 37 -0.748 -1.984 -0.183 246 HB3 ALA 37 3HB ALA 37 -0.079 -2.696 -1.670 247 H ASP 38 H ASP 38 -3.496 -1.813 -0.144 248 HA ASP 38 HA ASP 38 -4.108 1.029 0.068 249 HB3 ASP 38 2HB ASP 38 -5.872 -1.264 1.017 250 HD2 ASP 38 HD ASP 38 -7.084 2.503 0.425 251 H LEU 39 H LEU 39 -5.287 1.271 2.498 252 HA LEU 39 HA LEU 39 -3.186 0.448 4.323 253 HB3 LEU 39 2HB LEU 39 -5.517 2.338 4.677 254 HG LEU 39 HG LEU 39 -4.909 1.930 6.874 255 HD11 LEU 39 1HD1 LEU 39 -2.709 1.420 7.695 256 HD12 LEU 39 2HD1 LEU 39 -3.062 0.361 6.308 257 HD13 LEU 39 3HD1 LEU 39 -1.985 1.763 6.106 258 HD21 LEU 39 3HD2 LEU 39 -4.619 4.342 6.135 259 HD22 LEU 39 1HD2 LEU 39 -3.834 3.876 7.663 260 HD23 LEU 39 2HD2 LEU 39 -2.865 4.043 6.179 261 H ALA 40 H ALA 40 -3.361 -1.458 5.363 262 HA ALA 40 HA ALA 40 -5.696 -2.085 6.822 263 HB1 ALA 40 1HB ALA 40 -6.158 -2.684 4.277 264 HB2 ALA 40 2HB ALA 40 -5.168 -4.112 4.664 265 HB3 ALA 40 3HB ALA 40 -6.661 -3.789 5.579 266 HA PRO 41 HA PRO 41 -1.794 -3.863 8.211 267 HB3 PRO 41 2HB PRO 41 -1.019 -2.061 9.416 268 HG3 PRO 41 2HG PRO 41 -2.548 -0.356 9.689 269 HD3 PRO 41 2HD PRO 41 -3.913 -0.739 7.879 270 H LEU 42 H LEU 42 -1.266 -5.571 9.721 271 HA LEU 42 HA LEU 42 -3.314 -7.395 9.899 272 HB3 LEU 42 2HB LEU 42 -0.882 -7.203 11.679 273 HG LEU 42 HG LEU 42 -2.217 -9.027 12.445 274 HD11 LEU 42 1HD1 LEU 42 -2.677 -10.853 10.506 275 HD12 LEU 42 2HD1 LEU 42 -3.858 -9.627 11.023 276 HD13 LEU 42 3HD1 LEU 42 -2.861 -9.348 9.575 277 HD21 LEU 42 3HD2 LEU 42 -0.758 -10.986 11.210 278 HD22 LEU 42 1HD2 LEU 42 0.240 -9.541 10.914 279 HD23 LEU 42 2HD2 LEU 42 -0.201 -9.993 12.578 280 H SER 43 H SER 43 -2.729 -4.535 11.787 281 HA SER 43 HA SER 43 -3.939 -5.415 14.152 282 HB3 SER 43 2HB SER 43 -4.151 -2.525 13.440 283 HG SER 43 HG SER 43 -4.060 -3.894 15.662 284 H VAL 44 H VAL 44 -5.136 -4.424 11.009 285 HA VAL 44 HA VAL 44 -7.832 -4.096 12.119 286 HB VAL 44 HB VAL 44 -8.341 -2.737 10.335 287 HG11 VAL 44 1HG1 VAL 44 -6.519 -1.098 10.093 288 HG12 VAL 44 2HG1 VAL 44 -6.695 -1.641 11.779 289 HG13 VAL 44 3HG1 VAL 44 -5.371 -2.276 10.773 290 HG21 VAL 44 3HG2 VAL 44 -5.924 -3.708 8.781 291 HG22 VAL 44 1HG2 VAL 44 -7.562 -4.382 8.605 292 HG23 VAL 44 2HG2 VAL 44 -7.253 -2.678 8.195 293 H LEU 45 H LEU 45 -5.856 -5.763 9.598 294 HA LEU 45 HA LEU 45 -7.762 -7.186 8.318 295 HB3 LEU 45 2HB LEU 45 -5.890 -9.021 8.307 296 HG LEU 45 HG LEU 45 -4.373 -7.115 7.047 297 HD11 LEU 45 1HD1 LEU 45 -5.777 -9.342 6.351 298 HD12 LEU 45 2HD1 LEU 45 -6.652 -8.084 5.448 299 HD13 LEU 45 3HD1 LEU 45 -4.901 -8.294 5.211 300 HD21 LEU 45 3HD2 LEU 45 -5.764 -5.502 5.985 301 HD22 LEU 45 1HD2 LEU 45 -7.239 -6.216 6.681 302 HD23 LEU 45 2HD2 LEU 45 -6.067 -5.389 7.735 303 H GLU 46 H GLU 46 -6.301 -7.898 11.539 304 HA GLU 46 HA GLU 46 -7.701 -10.306 11.834 305 HB3 GLU 46 2HB GLU 46 -7.130 -9.407 14.419 306 HG3 GLU 46 2HG GLU 46 -4.739 -10.527 13.299 307 HE2 GLU 46 HE GLU 46 -4.695 -12.933 14.691 308 H GLN 47 H GLN 47 -8.432 -6.888 12.507 309 HA GLN 47 HA GLN 47 -10.659 -7.500 14.149 310 HB3 GLN 47 2HB GLN 47 -10.935 -4.861 13.147 311 HG3 GLN 47 2HG GLN 47 -10.140 -4.218 15.387 312 HE21 GLN 47 1HE2 GLN 47 -10.552 -7.364 16.504 313 HE22 GLN 47 2HE2 GLN 47 -12.259 -7.361 16.799 314 H SER 48 H SER 48 -10.066 -6.802 10.689 315 HA SER 48 HA SER 48 -12.884 -7.406 10.246 316 HB3 SER 48 2HB SER 48 -11.689 -5.811 8.101 317 HG SER 48 HG SER 48 -13.687 -4.664 9.691 318 H GLY 49 H GLY 49 -9.696 -7.071 8.505 319 HA2 GLY 49 1HA GLY 49 -8.552 -8.868 7.541 320 HA3 GLY 49 2HA GLY 49 -10.034 -9.802 7.485 321 H LEU 50 H LEU 50 -9.626 -10.258 5.204 322 HA LEU 50 HA LEU 50 -9.109 -8.516 3.220 323 HB3 LEU 50 2HB LEU 50 -10.916 -10.921 3.309 324 HG LEU 50 HG LEU 50 -10.389 -11.038 0.796 325 HD11 LEU 50 1HD1 LEU 50 -12.445 -8.973 1.603 326 HD12 LEU 50 2HD1 LEU 50 -12.489 -10.096 0.223 327 HD13 LEU 50 3HD1 LEU 50 -12.646 -10.719 1.884 328 HD21 LEU 50 3HD2 LEU 50 -10.570 -8.108 0.597 329 HD22 LEU 50 1HD2 LEU 50 -9.027 -8.712 1.245 330 HD23 LEU 50 2HD2 LEU 50 -9.606 -9.273 -0.342 331 HA PRO 51 HA PRO 51 -12.506 -5.767 3.596 332 HB3 PRO 51 2HB PRO 51 -11.147 -3.917 3.777 333 HG3 PRO 51 2HG PRO 51 -8.948 -4.276 3.185 334 HD3 PRO 51 2HD PRO 51 -8.797 -6.544 3.533 335 H ALA 52 H ALA 52 -13.833 -4.342 1.953 336 HA ALA 52 HA ALA 52 -14.617 -6.275 -0.038 337 HB1 ALA 52 1HB ALA 52 -16.596 -5.060 -0.145 338 HB2 ALA 52 2HB ALA 52 -16.072 -4.706 1.520 339 HB3 ALA 52 3HB ALA 52 -15.793 -3.515 0.227 340 H LYS 53 H LYS 53 -13.357 -2.877 0.087 341 HA LYS 53 HA LYS 53 -13.309 -2.407 -2.622 342 HB3 LYS 53 2HB LYS 53 -12.930 -0.552 -1.293 343 HG3 LYS 53 2HG LYS 53 -10.498 -1.068 0.129 344 HD3 LYS 53 2HD LYS 53 -12.278 -1.041 2.108 345 HE3 LYS 53 2HE LYS 53 -11.086 1.017 0.430 346 HZ1 LYS 53 2HZ LYS 53 -13.588 1.885 1.746 347 HZ3 LYS 53 1HZ LYS 53 -13.574 1.492 0.166 348 H LEU 54 H LEU 54 -10.731 -3.864 -0.525 349 HA LEU 54 HA LEU 54 -9.339 -4.651 -2.968 350 HB3 LEU 54 2HB LEU 54 -7.417 -4.909 -1.663 351 HG LEU 54 HG LEU 54 -6.958 -2.821 -0.960 352 HD11 LEU 54 1HD1 LEU 54 -8.694 -2.731 -2.939 353 HD12 LEU 54 2HD1 LEU 54 -9.711 -1.927 -1.719 354 HD13 LEU 54 3HD1 LEU 54 -8.124 -1.243 -2.145 355 HD21 LEU 54 3HD2 LEU 54 -8.290 -1.518 0.632 356 HD22 LEU 54 1HD2 LEU 54 -9.562 -2.761 0.589 357 HD23 LEU 54 2HD2 LEU 54 -7.954 -3.156 1.241 358 H ARG 55 H ARG 55 -11.826 -5.917 -2.526 359 HA ARG 55 HA ARG 55 -11.086 -8.454 -1.358 360 HB3 ARG 55 2HB ARG 55 -13.382 -7.041 -1.075 361 HG3 ARG 55 2HG ARG 55 -14.295 -9.098 -3.077 362 HD3 ARG 55 2HD ARG 55 -15.304 -6.546 -1.827 363 HE ARG 55 HE ARG 55 -15.604 -7.076 -4.644 364 HH11 ARG 55 2HH2 ARG 55 -17.479 -6.072 -1.812 365 HH12 ARG 55 1HH2 ARG 55 -18.653 -5.202 -2.742 366 HH22 ARG 55 1HH ARG 55 -18.440 -5.130 -5.129 367 H HIS 56 H HIS 56 -10.643 -7.003 -4.255 368 HA HIS 56 HA HIS 56 -11.810 -8.333 -6.245 369 HB3 HIS 56 2HB HIS 56 -8.825 -8.019 -6.327 370 HD1 HIS 56 1HD HIS 56 -8.092 -8.062 -8.717 371 HD2 HIS 56 2HD HIS 56 -12.167 -7.139 -8.330 372 HE1 HIS 56 1HE HIS 56 -9.020 -7.911 -11.090 373 H GLU 57 H GLU 57 -11.254 -10.245 -7.564 374 HA GLU 57 HA GLU 57 -11.280 -12.533 -6.199 375 HB3 GLU 57 2HB GLU 57 -9.803 -13.148 -8.542 376 HG3 GLU 57 2HG GLU 57 -12.826 -12.815 -8.296 377 HE2 GLU 57 HE GLU 57 -11.414 -15.765 -8.991 378 H GLN 58 H GLN 58 -8.261 -11.544 -7.971 379 HA GLN 58 HA GLN 58 -6.766 -13.077 -6.047 380 HB3 GLN 58 2HB GLN 58 -4.848 -12.216 -7.711 381 HG3 GLN 58 2HG GLN 58 -6.904 -14.394 -7.981 382 HE21 GLN 58 1HE2 GLN 58 -6.675 -15.973 -9.630 383 HE22 GLN 58 2HE2 GLN 58 -6.172 -15.545 -11.231 384 H ILE 59 H ILE 59 -5.568 -12.203 -4.390 385 HA ILE 59 HA ILE 59 -4.975 -9.343 -4.541 386 HB ILE 59 HB ILE 59 -6.140 -8.773 -2.741 387 HG13 ILE 59 2HG1 ILE 59 -4.569 -10.069 -1.292 388 HG21 ILE 59 1HG2 ILE 59 -7.501 -11.449 -3.161 389 HG22 ILE 59 2HG2 ILE 59 -8.194 -10.010 -2.374 390 HG23 ILE 59 3HG2 ILE 59 -7.802 -9.973 -4.109 391 HD11 ILE 59 3HD1 ILE 59 -6.182 -10.302 0.624 392 HD12 ILE 59 1HD1 ILE 59 -6.350 -8.755 -0.239 393 HD13 ILE 59 2HD1 ILE 59 -7.522 -10.064 -0.521 394 H ILE 60 H ILE 60 -3.277 -8.729 -2.851 395 HA ILE 60 HA ILE 60 -1.572 -11.028 -2.234 396 HB ILE 60 HB ILE 60 -0.657 -8.461 -3.536 397 HG13 ILE 60 2HG1 ILE 60 -1.693 -9.736 -5.228 398 HG21 ILE 60 1HG2 ILE 60 1.555 -9.352 -3.492 399 HG22 ILE 60 2HG2 ILE 60 0.905 -9.442 -1.837 400 HG23 ILE 60 3HG2 ILE 60 0.983 -10.908 -2.843 401 HD11 ILE 60 3HD1 ILE 60 0.249 -10.670 -6.546 402 HD12 ILE 60 1HD1 ILE 60 0.538 -9.028 -5.922 403 HD13 ILE 60 2HD1 ILE 60 1.276 -10.431 -5.112 404 H PHE 61 H PHE 61 -0.081 -10.637 -0.436 405 HA PHE 61 HA PHE 61 -0.882 -8.326 1.182 406 HB3 PHE 61 2HB PHE 61 -0.432 -10.154 3.093 407 HD1 PHE 61 1HD PHE 61 -2.406 -8.202 2.917 408 HD2 PHE 61 2HD PHE 61 -2.735 -12.276 1.776 409 HE1 PHE 61 1HE PHE 61 -4.893 -8.093 3.242 410 HE2 PHE 61 2HE PHE 61 -5.221 -12.167 2.102 411 HZ PHE 61 HZ PHE 61 -6.270 -10.076 2.831 412 H HIS 62 H HIS 62 0.805 -7.182 2.054 413 HA HIS 62 HA HIS 62 3.388 -8.535 2.171 414 HB3 HIS 62 2HB HIS 62 2.816 -6.839 0.125 415 HD1 HIS 62 1HD HIS 62 5.710 -5.184 1.649 416 HD2 HIS 62 2HD HIS 62 1.607 -4.396 1.280 417 HE1 HIS 62 1HE HIS 62 5.410 -2.701 2.154 418 H CYS 63 H CYS 63 4.981 -7.229 3.562 419 HA CYS 63 HA CYS 63 3.457 -5.863 5.660 420 HB3 CYS 63 2HB CYS 63 4.222 -8.100 6.389 421 HG CYS 63 HG CYS 63 7.137 -7.643 7.063 422 H GLN 64 H GLN 64 6.329 -5.525 6.902 423 HA GLN 64 HA GLN 64 6.905 -3.154 5.343 424 HB3 GLN 64 2HB GLN 64 8.512 -3.440 7.757 425 HG3 GLN 64 2HG GLN 64 6.269 -1.530 7.810 426 HE21 GLN 64 1HE2 GLN 64 8.009 0.573 6.811 427 HE22 GLN 64 2HE2 GLN 64 9.252 0.828 7.990 428 H ALA 65 H ALA 65 9.054 -5.309 7.318 429 HA ALA 65 HA ALA 65 10.463 -6.281 5.066 430 HB1 ALA 65 1HB ALA 65 12.625 -4.981 6.060 431 HB2 ALA 65 2HB ALA 65 11.644 -4.353 4.714 432 HB3 ALA 65 3HB ALA 65 11.370 -3.756 6.368 433 H GLY 66 H GLY 66 9.554 -8.037 6.561 434 HA2 GLY 66 1HA GLY 66 11.702 -9.068 8.135 435 HA3 GLY 66 2HA GLY 66 10.388 -8.492 9.141 436 H LYS 67 H LYS 67 9.877 -9.761 5.835 437 HA LYS 67 HA LYS 67 8.407 -11.327 5.194 438 HB3 LYS 67 2HB LYS 67 9.367 -13.634 6.363 439 HG3 LYS 67 2HG LYS 67 10.129 -11.963 3.963 440 HD3 LYS 67 2HD LYS 67 11.511 -14.526 4.884 441 HE3 LYS 67 2HE LYS 67 12.366 -13.222 2.355 442 HZ1 LYS 67 2HZ LYS 67 13.335 -15.271 2.701 443 HZ3 LYS 67 1HZ LYS 67 12.057 -15.769 1.822 444 H ARG 68 H ARG 68 7.274 -9.828 7.276 445 HA ARG 68 HA ARG 68 6.435 -11.359 9.408 446 HB3 ARG 68 2HB ARG 68 4.605 -9.620 9.608 447 HG3 ARG 68 2HG ARG 68 6.180 -7.595 9.593 448 HD3 ARG 68 2HD ARG 68 7.487 -10.014 10.897 449 HE ARG 68 HE ARG 68 8.053 -7.355 11.176 450 HH11 ARG 68 2HH2 ARG 68 6.489 -9.651 13.377 451 HH12 ARG 68 1HH2 ARG 68 7.028 -8.837 14.808 452 HH22 ARG 68 1HH ARG 68 8.363 -6.858 14.600 453 H THR 69 H THR 69 4.896 -10.661 6.197 454 HA THR 69 HA THR 69 2.502 -11.986 6.603 455 HB THR 69 HB THR 69 2.693 -12.206 4.004 456 HG1 THR 69 1HG THR 69 4.862 -12.049 3.528 457 HG21 THR 69 3HG2 THR 69 2.747 -9.702 3.658 458 HG22 THR 69 1HG2 THR 69 1.639 -10.183 4.965 459 HG23 THR 69 2HG2 THR 69 3.240 -9.512 5.358 460 H SER 70 H SER 70 5.747 -13.281 5.911 461 HA SER 70 HA SER 70 4.682 -15.869 5.379 462 HB3 SER 70 2HB SER 70 6.863 -14.811 4.439 463 HG SER 70 HG SER 70 8.661 -15.795 5.958 464 H ASN 71 H ASN 71 4.871 -14.065 8.147 465 HA ASN 71 HA ASN 71 5.902 -16.166 9.822 466 HB3 ASN 71 2HB ASN 71 4.591 -13.773 11.058 467 HD21 ASN 71 1HD2 ASN 71 8.006 -14.076 10.541 468 HD22 ASN 71 2HD2 ASN 71 8.452 -14.681 12.101 469 H ASN 72 H ASN 72 2.931 -15.037 8.438 470 HA ASN 72 HA ASN 72 1.477 -16.931 10.005 471 HB3 ASN 72 2HB ASN 72 0.755 -15.300 11.478 472 HD21 ASN 72 1HD2 ASN 72 2.347 -13.946 12.055 473 HD22 ASN 72 2HD2 ASN 72 2.651 -12.394 11.349 474 H ALA 73 H ALA 73 2.393 -16.340 7.163 475 HA ALA 73 HA ALA 73 0.585 -15.259 5.493 476 HB1 ALA 73 1HB ALA 73 1.812 -16.311 3.898 477 HB2 ALA 73 2HB ALA 73 2.822 -16.838 5.267 478 HB3 ALA 73 3HB ALA 73 1.560 -17.917 4.625 479 H ASP 74 H ASP 74 0.207 -18.162 7.479 480 HA ASP 74 HA ASP 74 -1.759 -19.448 6.110 481 HB3 ASP 74 2HB ASP 74 -2.274 -19.338 9.013 482 HD2 ASP 74 HD ASP 74 -1.747 -21.904 6.292 483 H LYS 75 H LYS 75 -2.088 -16.986 8.787 484 HA LYS 75 HA LYS 75 -4.859 -16.775 8.647 485 HB3 LYS 75 2HB LYS 75 -3.834 -14.301 9.528 486 HG3 LYS 75 2HG LYS 75 -4.418 -15.201 11.754 487 HD3 LYS 75 2HD LYS 75 -6.624 -16.574 10.659 488 HE3 LYS 75 2HE LYS 75 -7.130 -13.752 10.543 489 HZ1 LYS 75 2HZ LYS 75 -8.584 -15.455 11.518 490 HZ3 LYS 75 1HZ LYS 75 -8.310 -14.274 12.605 491 H LEU 76 H LEU 76 -2.226 -14.944 6.986 492 HA LEU 76 HA LEU 76 -3.695 -12.997 5.792 493 HB3 LEU 76 2HB LEU 76 -1.981 -13.249 3.907 494 HG LEU 76 HG LEU 76 0.027 -12.847 5.523 495 HD11 LEU 76 1HD1 LEU 76 -1.645 -11.206 4.244 496 HD12 LEU 76 2HD1 LEU 76 -2.066 -10.767 5.917 497 HD13 LEU 76 3HD1 LEU 76 -0.384 -10.620 5.355 498 HD21 LEU 76 3HD2 LEU 76 -0.781 -12.004 7.765 499 HD22 LEU 76 1HD2 LEU 76 -2.313 -12.849 7.438 500 HD23 LEU 76 2HD2 LEU 76 -0.794 -13.770 7.545 501 H ALA 77 H ALA 77 -3.504 -16.474 4.968 502 HA ALA 77 HA ALA 77 -4.868 -16.217 2.502 503 HB1 ALA 77 1HB ALA 77 -3.682 -18.281 4.163 504 HB2 ALA 77 2HB ALA 77 -5.271 -18.808 3.559 505 HB3 ALA 77 3HB ALA 77 -4.010 -18.292 2.414 506 H ALA 78 H ALA 78 -5.955 -17.594 5.693 507 HA ALA 78 HA ALA 78 -8.612 -17.808 5.071 508 HB1 ALA 78 1HB ALA 78 -7.280 -18.589 7.135 509 HB2 ALA 78 2HB ALA 78 -7.583 -16.964 7.796 510 HB3 ALA 78 3HB ALA 78 -8.950 -18.037 7.408 511 H ILE 79 H ILE 79 -6.668 -14.934 5.569 512 HA ILE 79 HA ILE 79 -8.750 -13.209 6.363 513 HB ILE 79 HB ILE 79 -5.948 -12.999 5.460 514 HG13 ILE 79 2HG1 ILE 79 -7.000 -13.028 7.863 515 HG21 ILE 79 1HG2 ILE 79 -7.193 -11.447 3.922 516 HG22 ILE 79 2HG2 ILE 79 -7.718 -10.546 5.364 517 HG23 ILE 79 3HG2 ILE 79 -5.986 -10.669 4.972 518 HD11 ILE 79 3HD1 ILE 79 -5.182 -11.146 8.446 519 HD12 ILE 79 1HD1 ILE 79 -4.690 -12.758 7.872 520 HD13 ILE 79 2HD1 ILE 79 -4.741 -11.387 6.739 521 H ALA 80 H ALA 80 -7.157 -13.770 3.142 522 HA ALA 80 HA ALA 80 -9.646 -12.768 1.937 523 HB1 ALA 80 1HB ALA 80 -6.789 -12.576 0.899 524 HB2 ALA 80 2HB ALA 80 -8.245 -11.961 0.080 525 HB3 ALA 80 3HB ALA 80 -7.721 -11.244 1.622 526 H ALA 81 H ALA 81 -10.303 -15.112 2.295 527 HA ALA 81 HA ALA 81 -9.300 -16.695 0.032 528 HB1 ALA 81 1HB ALA 81 -9.297 -17.297 2.901 529 HB2 ALA 81 2HB ALA 81 -10.173 -18.523 1.954 530 HB3 ALA 81 3HB ALA 81 -8.481 -18.137 1.560 531 HA PRO 82 HA PRO 82 -9.959 -18.911 -0.043 532 HB3 PRO 82 2HB PRO 82 -11.237 -20.746 -0.597 533 HG3 PRO 82 2HG PRO 82 -13.432 -20.268 -1.113 534 HD3 PRO 82 2HD PRO 82 -13.696 -18.283 0.018 535 H ALA 83 H ALA 83 -10.876 -16.256 -1.636 536 HA ALA 83 HA ALA 83 -9.816 -16.197 -4.070 537 HB1 ALA 83 1HB ALA 83 -8.748 -13.899 -2.829 538 HB2 ALA 83 2HB ALA 83 -10.329 -14.051 -3.632 539 HB3 ALA 83 3HB ALA 83 -10.191 -14.324 -1.878 540 H GLU 84 H GLU 84 -7.728 -15.838 -5.050 541 HA GLU 84 HA GLU 84 -5.718 -17.341 -3.746 542 HB3 GLU 84 2HB GLU 84 -4.386 -16.517 -5.868 543 HG3 GLU 84 2HG GLU 84 -5.930 -18.058 -7.323 544 HE2 GLU 84 HE GLU 84 -5.981 -20.585 -6.004 545 H ILE 85 H ILE 85 -4.264 -16.576 -2.278 546 HA ILE 85 HA ILE 85 -3.728 -13.690 -2.341 547 HB ILE 85 HB ILE 85 -4.106 -15.667 -0.157 548 HG13 ILE 85 2HG1 ILE 85 -4.652 -12.717 -0.030 549 HG21 ILE 85 1HG2 ILE 85 -1.778 -14.987 0.172 550 HG22 ILE 85 2HG2 ILE 85 -2.264 -13.276 0.120 551 HG23 ILE 85 3HG2 ILE 85 -2.839 -14.323 1.439 552 HD11 ILE 85 3HD1 ILE 85 -5.609 -13.293 -2.184 553 HD12 ILE 85 1HD1 ILE 85 -6.245 -14.830 -1.548 554 HD13 ILE 85 2HD1 ILE 85 -6.937 -13.284 -0.997 555 H PHE 86 H PHE 86 -1.539 -12.963 -2.078 556 HA PHE 86 HA PHE 86 0.495 -15.035 -2.261 557 HB3 PHE 86 2HB PHE 86 1.430 -13.941 -4.280 558 HD1 PHE 86 2HD PHE 86 -0.202 -16.316 -4.050 559 HD2 PHE 86 1HD PHE 86 -1.082 -12.648 -5.993 560 HE1 PHE 86 2HE PHE 86 -1.783 -17.511 -5.588 561 HE2 PHE 86 1HE PHE 86 -2.665 -13.843 -7.532 562 HZ PHE 86 HZ PHE 86 -2.996 -16.260 -7.312 563 H LEU 87 H LEU 87 2.776 -13.927 -2.224 564 HA LEU 87 HA LEU 87 2.597 -11.562 -0.490 565 HB3 LEU 87 2HB LEU 87 4.308 -12.401 0.891 566 HG LEU 87 HG LEU 87 2.316 -14.585 0.277 567 HD11 LEU 87 1HD1 LEU 87 3.430 -16.114 1.435 568 HD12 LEU 87 2HD1 LEU 87 4.830 -15.016 1.464 569 HD13 LEU 87 3HD1 LEU 87 3.652 -14.992 2.798 570 HD21 LEU 87 3HD2 LEU 87 1.028 -13.288 1.544 571 HD22 LEU 87 1HD2 LEU 87 2.066 -13.738 2.917 572 HD23 LEU 87 2HD2 LEU 87 2.397 -12.248 2.002 573 H LEU 88 H LEU 88 3.740 -9.814 -1.165 574 HA LEU 88 HA LEU 88 5.231 -10.106 -3.616 575 HB3 LEU 88 2HB LEU 88 5.285 -7.479 -2.398 576 HG LEU 88 HG LEU 88 3.887 -8.528 -4.875 577 HD11 LEU 88 1HD1 LEU 88 2.769 -6.609 -4.901 578 HD12 LEU 88 2HD1 LEU 88 3.675 -5.985 -3.501 579 HD13 LEU 88 3HD1 LEU 88 4.325 -5.780 -5.145 580 HD21 LEU 88 3HD2 LEU 88 5.923 -6.873 -5.698 581 HD22 LEU 88 1HD2 LEU 88 6.647 -7.719 -4.308 582 HD23 LEU 88 2HD2 LEU 88 5.974 -8.652 -5.666 583 H GLU 89 H GLU 89 6.747 -11.645 -2.321 584 HA GLU 89 HA GLU 89 8.891 -11.879 -1.864 585 HB3 GLU 89 2HB GLU 89 9.559 -9.143 -0.953 586 HG3 GLU 89 2HG GLU 89 11.195 -9.542 -2.991 587 HE2 GLU 89 HE GLU 89 13.144 -10.551 -2.397 588 H ASP 90 H ASP 90 6.909 -9.712 0.198 589 HA ASP 90 HA ASP 90 6.314 -10.005 2.294 590 HB3 ASP 90 2HB ASP 90 7.058 -11.836 3.676 591 HD2 ASP 90 HD ASP 90 7.223 -14.703 2.072 592 H GLY 91 H GLY 91 7.165 -7.856 2.698 593 HA2 GLY 91 1HA GLY 91 8.501 -6.877 4.488 594 HA3 GLY 91 2HA GLY 91 9.862 -7.817 3.914 595 H ILE 92 H ILE 92 7.512 -6.332 1.674 596 HA ILE 92 HA ILE 92 8.026 -5.078 -0.132 597 HB ILE 92 HB ILE 92 7.203 -3.679 1.881 598 HG13 ILE 92 2HG1 ILE 92 6.785 -3.012 -0.381 599 HG21 ILE 92 1HG2 ILE 92 9.554 -1.955 1.655 600 HG22 ILE 92 2HG2 ILE 92 8.629 -2.462 3.090 601 HG23 ILE 92 3HG2 ILE 92 9.902 -3.518 2.432 602 HD11 ILE 92 3HD1 ILE 92 6.849 -0.603 -0.183 603 HD12 ILE 92 1HD1 ILE 92 6.610 -1.251 1.458 604 HD13 ILE 92 2HD1 ILE 92 8.217 -0.675 0.954 605 H ASP 93 H ASP 93 10.209 -6.845 0.465 606 HA ASP 93 HA ASP 93 12.501 -5.108 0.077 607 HB3 ASP 93 2HB ASP 93 12.080 -7.931 1.038 608 HD2 ASP 93 HD ASP 93 14.928 -6.109 0.357 609 H GLY 94 H GLY 94 10.137 -6.615 -1.716 610 HA2 GLY 94 1HA GLY 94 11.895 -7.732 -3.778 611 HA3 GLY 94 2HA GLY 94 10.154 -7.892 -3.667 612 H TRP 95 H TRP 95 9.158 -5.354 -3.437 613 HA TRP 95 HA TRP 95 9.064 -4.385 -5.951 614 HB3 TRP 95 2HB TRP 95 8.791 -2.930 -3.322 615 HD1 TRP 95 HD TRP 95 8.715 -0.341 -3.574 616 HE1 TRP 95 1HE TRP 95 8.117 1.462 -5.406 617 HE3 TRP 95 3HE TRP 95 7.530 -3.678 -7.224 618 HZ2 TRP 95 2HZ TRP 95 7.236 1.293 -8.116 619 HZ3 TRP 95 3HZ TRP 95 6.811 -2.775 -9.434 620 HH2 TRP 95 HH TRP 95 6.654 -0.382 -9.908 621 H LYS 96 H LYS 96 11.335 -3.396 -3.299 622 HA LYS 96 HA LYS 96 12.718 -1.546 -4.928 623 HB3 LYS 96 2HB LYS 96 14.166 -2.680 -2.630 624 HG3 LYS 96 2HG LYS 96 13.247 0.064 -2.388 625 HD3 LYS 96 2HD LYS 96 15.769 0.460 -2.767 626 HE3 LYS 96 2HE LYS 96 15.000 -1.635 -0.678 627 HZ1 LYS 96 2HZ LYS 96 17.382 -1.197 -0.825 628 HZ3 LYS 96 1HZ LYS 96 16.810 -0.531 0.547 629 H LYS 97 H LYS 97 13.062 -5.029 -4.182 630 HA LYS 97 HA LYS 97 15.578 -5.546 -5.000 631 HB3 LYS 97 2HB LYS 97 13.217 -7.249 -5.820 632 HG3 LYS 97 2HG LYS 97 15.179 -8.834 -4.684 633 HD3 LYS 97 2HD LYS 97 14.351 -8.113 -7.464 634 HE3 LYS 97 2HE LYS 97 17.021 -8.279 -7.256 635 HZ1 LYS 97 2HZ LYS 97 16.959 -10.436 -6.109 636 HZ3 LYS 97 1HZ LYS 97 17.689 -10.597 -7.557 637 H ALA 98 H ALA 98 12.678 -5.217 -7.158 638 HA ALA 98 HA ALA 98 14.160 -5.546 -9.524 639 HB1 ALA 98 1HB ALA 98 12.021 -4.338 -10.449 640 HB2 ALA 98 2HB ALA 98 11.863 -5.949 -9.710 641 HB3 ALA 98 3HB ALA 98 11.429 -4.496 -8.778 642 H GLY 99 H GLY 99 13.474 -2.790 -7.381 643 HA2 GLY 99 1HA GLY 99 14.852 -0.910 -7.306 644 HA3 GLY 99 2HA GLY 99 15.340 -1.179 -8.967 645 H LEU 100 H LEU 100 12.043 -1.034 -7.448 646 HA LEU 100 HA LEU 100 11.443 1.131 -9.341 647 HB3 LEU 100 2HB LEU 100 9.188 0.349 -9.415 648 HG LEU 100 HG LEU 100 11.329 -1.573 -10.047 649 HD11 LEU 100 1HD1 LEU 100 8.612 -2.770 -10.256 650 HD12 LEU 100 2HD1 LEU 100 10.202 -3.544 -10.045 651 HD13 LEU 100 3HD1 LEU 100 9.393 -2.778 -8.657 652 HD21 LEU 100 3HD2 LEU 100 10.694 -1.165 -12.158 653 HD22 LEU 100 1HD2 LEU 100 8.962 -1.349 -11.784 654 HD23 LEU 100 2HD2 LEU 100 9.787 0.192 -11.446 655 HA PRO 101 HA PRO 101 10.817 3.529 -5.789 656 HB3 PRO 101 2HB PRO 101 11.485 5.441 -6.884 657 HG3 PRO 101 2HG PRO 101 11.413 5.306 -9.186 658 HD3 PRO 101 2HD PRO 101 11.582 3.031 -9.467 659 H VAL 102 H VAL 102 9.363 3.707 -4.167 660 HA VAL 102 HA VAL 102 6.769 2.675 -4.811 661 HB VAL 102 HB VAL 102 6.434 2.591 -2.494 662 HG11 VAL 102 1HG1 VAL 102 9.209 2.148 -1.957 663 HG12 VAL 102 2HG1 VAL 102 7.931 0.954 -2.283 664 HG13 VAL 102 3HG1 VAL 102 8.873 1.639 -3.629 665 HG21 VAL 102 3HG2 VAL 102 6.933 4.866 -1.869 666 HG22 VAL 102 1HG2 VAL 102 7.912 3.776 -0.858 667 HG23 VAL 102 2HG2 VAL 102 8.661 4.635 -2.225 668 H ALA 103 H ALA 103 4.952 4.036 -3.320 669 HA ALA 103 HA ALA 103 4.627 6.419 -4.882 670 HB1 ALA 103 1HB ALA 103 2.784 5.838 -2.625 671 HB2 ALA 103 2HB ALA 103 2.429 6.185 -4.335 672 HB3 ALA 103 3HB ALA 103 2.931 4.549 -3.843 673 H VAL 104 H VAL 104 6.884 7.062 -3.749 674 HA VAL 104 HA VAL 104 6.510 8.167 -1.119 675 HB VAL 104 HB VAL 104 8.875 9.108 -1.825 676 HG11 VAL 104 1HG1 VAL 104 8.848 7.627 -0.043 677 HG12 VAL 104 2HG1 VAL 104 8.068 6.336 -0.986 678 HG13 VAL 104 3HG1 VAL 104 9.786 6.717 -1.252 679 HG21 VAL 104 3HG2 VAL 104 8.772 6.671 -3.606 680 HG22 VAL 104 1HG2 VAL 104 8.419 8.298 -4.236 681 HG23 VAL 104 2HG2 VAL 104 10.010 7.948 -3.518 682 H ASN 105 H ASN 105 4.685 9.593 -1.577 683 HA ASN 105 HA ASN 105 3.938 11.632 -1.781 684 HB3 ASN 105 2HB ASN 105 6.536 12.572 -3.077 685 HD21 ASN 105 1HD2 ASN 105 6.835 14.749 -2.953 686 HD22 ASN 105 2HD2 ASN 105 5.613 15.877 -2.470 687 H LYS 106 H LYS 106 2.529 12.285 -3.443 688 HA LYS 106 HA LYS 106 1.628 12.478 -5.448 689 HB3 LYS 106 2HB LYS 106 3.841 12.530 -7.238 690 HG3 LYS 106 2HG LYS 106 2.761 15.042 -5.999 691 HD3 LYS 106 2HD LYS 106 3.299 13.956 -8.784 692 HE3 LYS 106 2HE LYS 106 1.627 16.371 -7.975 693 HZ1 LYS 106 2HZ LYS 106 2.685 15.879 -10.694 694 HZ3 LYS 106 1HZ LYS 106 3.475 16.851 -9.653 695 H SER 107 H SER 107 0.498 10.646 -5.882 696 HA SER 107 HA SER 107 1.423 8.142 -5.968 697 HB3 SER 107 2HB SER 107 -0.564 8.423 -8.062 698 HG SER 107 HG SER 107 -0.881 6.675 -6.791 699 H GLN 108 H GLN 108 1.848 6.606 -7.807 700 HA GLN 108 HA GLN 108 3.069 5.994 -9.498 701 HB3 GLN 108 2HB GLN 108 2.396 8.362 -11.199 702 HG3 GLN 108 2HG GLN 108 1.387 6.232 -12.481 703 HE21 GLN 108 1HE2 GLN 108 2.187 7.045 -14.274 704 HE22 GLN 108 2HE2 GLN 108 3.861 7.245 -14.668 Start of MODEL 8 1 H1 ALA 1 H ALA 1 3.808 -19.441 3.901 2 HA ALA 1 HA ALA 1 2.865 -20.949 2.570 3 HB1 ALA 1 1HB ALA 1 2.164 -21.884 4.675 4 HB2 ALA 1 2HB ALA 1 0.798 -20.748 4.792 5 HB3 ALA 1 3HB ALA 1 0.790 -22.026 3.552 6 H LEU 2 H LEU 2 2.692 -19.176 0.908 7 HA LEU 2 HA LEU 2 -0.121 -18.893 0.171 8 HB3 LEU 2 2HB LEU 2 0.330 -16.559 -0.539 9 HG LEU 2 HG LEU 2 0.709 -17.103 2.416 10 HD11 LEU 2 1HD1 LEU 2 -0.270 -14.631 2.435 11 HD12 LEU 2 2HD1 LEU 2 1.478 -14.961 2.380 12 HD13 LEU 2 3HD1 LEU 2 0.602 -14.545 0.887 13 HD21 LEU 2 3HD2 LEU 2 -1.405 -17.874 1.988 14 HD22 LEU 2 1HD2 LEU 2 -1.749 -16.156 2.305 15 HD23 LEU 2 2HD2 LEU 2 -1.666 -16.752 0.630 16 H THR 3 H THR 3 2.504 -17.201 -1.481 17 HA THR 3 HA THR 3 3.096 -19.366 -3.260 18 HB THR 3 HB THR 3 1.180 -17.125 -4.050 19 HG1 THR 3 1HG THR 3 0.024 -18.994 -3.665 20 HG21 THR 3 3HG2 THR 3 2.690 -17.134 -5.923 21 HG22 THR 3 1HG2 THR 3 2.974 -18.886 -5.780 22 HG23 THR 3 2HG2 THR 3 1.409 -18.284 -6.376 23 H THR 4 H THR 4 4.373 -17.360 -1.402 24 HA THR 4 HA THR 4 5.664 -15.331 -1.942 25 HB THR 4 HB THR 4 7.952 -16.658 -1.818 26 HG1 THR 4 1HG THR 4 7.512 -18.928 -1.451 27 HG21 THR 4 3HG2 THR 4 5.781 -17.344 0.230 28 HG22 THR 4 1HG2 THR 4 7.541 -17.332 0.504 29 HG23 THR 4 2HG2 THR 4 6.673 -15.803 0.219 30 H ILE 5 H ILE 5 5.428 -14.202 -3.819 31 HA ILE 5 HA ILE 5 6.498 -15.452 -6.234 32 HB ILE 5 HB ILE 5 4.286 -14.668 -6.500 33 HG13 ILE 5 2HG1 ILE 5 5.902 -14.225 -8.347 34 HG21 ILE 5 1HG2 ILE 5 4.094 -11.984 -6.185 35 HG22 ILE 5 2HG2 ILE 5 3.627 -13.176 -4.949 36 HG23 ILE 5 3HG2 ILE 5 5.220 -12.388 -4.867 37 HD11 ILE 5 3HD1 ILE 5 3.319 -12.934 -7.875 38 HD12 ILE 5 1HD1 ILE 5 4.340 -11.955 -8.954 39 HD13 ILE 5 2HD1 ILE 5 3.965 -13.644 -9.374 40 H SER 6 H SER 6 7.723 -13.869 -7.735 41 HA SER 6 HA SER 6 9.664 -12.535 -6.036 42 HB3 SER 6 2HB SER 6 11.168 -13.573 -7.359 43 HG SER 6 HG SER 6 9.464 -14.296 -9.486 44 HA PRO 7 HA PRO 7 8.778 -8.660 -7.823 45 HB3 PRO 7 2HB PRO 7 10.509 -7.588 -6.749 46 HG3 PRO 7 2HG PRO 7 12.300 -8.941 -6.221 47 HD3 PRO 7 2HD PRO 7 11.259 -10.990 -6.156 48 H HIS 8 H HIS 8 8.643 -7.184 -9.669 49 HA HIS 8 HA HIS 8 8.810 -6.745 -11.852 50 HB3 HIS 8 2HB HIS 8 9.921 -9.395 -12.643 51 HD1 HIS 8 1HD HIS 8 11.963 -8.879 -14.424 52 HD2 HIS 8 2HD HIS 8 9.297 -5.748 -13.592 53 HE1 HIS 8 1HE HIS 8 12.239 -7.185 -16.312 54 H ASP 9 H ASP 9 7.948 -10.118 -10.898 55 HA ASP 9 HA ASP 9 6.094 -10.405 -12.985 56 HB3 ASP 9 2HB ASP 9 5.232 -12.249 -11.231 57 HD2 ASP 9 HD ASP 9 6.016 -14.028 -13.395 58 H ALA 10 H ALA 10 6.009 -9.382 -9.529 59 HA ALA 10 HA ALA 10 3.190 -9.316 -9.318 60 HB1 ALA 10 1HB ALA 10 3.664 -8.094 -7.229 61 HB2 ALA 10 2HB ALA 10 4.735 -9.507 -7.394 62 HB3 ALA 10 3HB ALA 10 5.356 -7.873 -7.735 63 H GLN 11 H GLN 11 5.738 -6.908 -10.167 64 HA GLN 11 HA GLN 11 4.234 -4.660 -10.140 65 HB3 GLN 11 2HB GLN 11 6.509 -5.537 -11.951 66 HG3 GLN 11 2HG GLN 11 5.176 -2.794 -11.764 67 HE21 GLN 11 1HE2 GLN 11 7.454 -4.532 -13.868 68 HE22 GLN 11 2HE2 GLN 11 8.716 -3.347 -13.859 69 H GLU 12 H GLU 12 3.891 -7.444 -12.197 70 HA GLU 12 HA GLU 12 2.558 -5.966 -14.262 71 HB3 GLU 12 2HB GLU 12 2.229 -8.877 -14.369 72 HG3 GLU 12 2HG GLU 12 4.118 -7.452 -16.188 73 HE2 GLU 12 HE GLU 12 1.085 -9.765 -17.463 74 H LEU 13 H LEU 13 1.597 -8.871 -12.286 75 HA LEU 13 HA LEU 13 -1.067 -8.775 -12.707 76 HB3 LEU 13 2HB LEU 13 -0.149 -10.597 -11.565 77 HG LEU 13 HG LEU 13 1.479 -8.862 -10.155 78 HD11 LEU 13 1HD1 LEU 13 -0.528 -10.042 -8.214 79 HD12 LEU 13 2HD1 LEU 13 0.989 -9.215 -7.784 80 HD13 LEU 13 3HD1 LEU 13 -0.317 -8.316 -8.592 81 HD21 LEU 13 3HD2 LEU 13 2.130 -11.006 -8.899 82 HD22 LEU 13 1HD2 LEU 13 0.874 -11.802 -9.877 83 HD23 LEU 13 2HD2 LEU 13 2.252 -11.006 -10.674 84 H ILE 14 H ILE 14 0.807 -6.879 -10.266 85 HA ILE 14 HA ILE 14 -1.334 -5.679 -9.017 86 HB ILE 14 HB ILE 14 1.518 -5.381 -9.164 87 HG13 ILE 14 2HG1 ILE 14 -0.414 -5.803 -7.255 88 HG21 ILE 14 1HG2 ILE 14 -0.082 -2.815 -9.129 89 HG22 ILE 14 2HG2 ILE 14 1.578 -2.952 -8.505 90 HG23 ILE 14 3HG2 ILE 14 1.246 -3.270 -10.224 91 HD11 ILE 14 3HD1 ILE 14 2.528 -5.118 -7.200 92 HD12 ILE 14 1HD1 ILE 14 1.646 -5.276 -5.662 93 HD13 ILE 14 2HD1 ILE 14 1.719 -6.649 -6.791 94 H ALA 15 H ALA 15 0.233 -4.972 -12.151 95 HA ALA 15 HA ALA 15 -1.348 -2.572 -12.475 96 HB1 ALA 15 1HB ALA 15 0.884 -3.968 -13.918 97 HB2 ALA 15 2HB ALA 15 -0.157 -2.860 -14.844 98 HB3 ALA 15 3HB ALA 15 0.736 -2.264 -13.424 99 H ARG 16 H ARG 16 -2.266 -5.644 -12.338 100 HA ARG 16 HA ARG 16 -3.820 -5.493 -14.792 101 HB3 ARG 16 2HB ARG 16 -4.164 -7.971 -14.479 102 HG3 ARG 16 2HG ARG 16 -1.582 -8.554 -14.594 103 HD3 ARG 16 2HD ARG 16 -2.432 -6.538 -16.679 104 HE ARG 16 HE ARG 16 -0.586 -8.686 -16.590 105 HH11 ARG 16 2HH2 ARG 16 -3.181 -7.540 -18.713 106 HH12 ARG 16 1HH2 ARG 16 -2.479 -8.219 -20.144 107 HH22 ARG 16 1HH ARG 16 -0.407 -9.415 -19.982 108 H GLY 17 H GLY 17 -3.869 -5.872 -11.238 109 HA2 GLY 17 1HA GLY 17 -6.165 -4.674 -10.625 110 HA3 GLY 17 2HA GLY 17 -6.757 -6.233 -11.166 111 H ALA 18 H ALA 18 -4.056 -7.479 -10.233 112 HA ALA 18 HA ALA 18 -4.823 -8.658 -7.961 113 HB1 ALA 18 1HB ALA 18 -2.359 -8.202 -9.394 114 HB2 ALA 18 2HB ALA 18 -2.044 -8.136 -7.643 115 HB3 ALA 18 3HB ALA 18 -2.811 -9.575 -8.356 116 H LYS 19 H LYS 19 -5.793 -7.713 -6.221 117 HA LYS 19 HA LYS 19 -4.939 -5.111 -5.354 118 HB3 LYS 19 2HB LYS 19 -6.710 -5.749 -3.506 119 HG3 LYS 19 2HG LYS 19 -8.522 -5.073 -5.109 120 HD3 LYS 19 2HD LYS 19 -6.034 -3.642 -4.593 121 HE3 LYS 19 2HE LYS 19 -7.104 -3.526 -7.358 122 HZ1 LYS 19 2HZ LYS 19 -8.011 -1.471 -6.955 123 HZ3 LYS 19 1HZ LYS 19 -6.472 -0.973 -7.142 124 H LEU 20 H LEU 20 -3.239 -4.757 -4.041 125 HA LEU 20 HA LEU 20 -2.298 -7.018 -2.448 126 HB3 LEU 20 2HB LEU 20 -1.038 -4.607 -3.663 127 HG LEU 20 HG LEU 20 0.186 -6.137 -1.349 128 HD11 LEU 20 1HD1 LEU 20 2.245 -5.246 -1.843 129 HD12 LEU 20 2HD1 LEU 20 1.598 -5.526 -3.476 130 HD13 LEU 20 3HD1 LEU 20 1.564 -3.891 -2.775 131 HD21 LEU 20 3HD2 LEU 20 -1.141 -3.524 -1.542 132 HD22 LEU 20 1HD2 LEU 20 -0.787 -4.538 -0.124 133 HD23 LEU 20 2HD2 LEU 20 0.471 -3.470 -0.790 134 H ILE 21 H ILE 21 -2.088 -6.912 -0.199 135 HA ILE 21 HA ILE 21 -3.313 -4.526 1.003 136 HB ILE 21 HB ILE 21 -3.487 -7.367 2.006 137 HG13 ILE 21 2HG1 ILE 21 -5.916 -7.144 1.308 138 HG21 ILE 21 1HG2 ILE 21 -5.441 -5.379 2.925 139 HG22 ILE 21 2HG2 ILE 21 -4.503 -6.585 3.839 140 HG23 ILE 21 3HG2 ILE 21 -3.764 -5.023 3.408 141 HD11 ILE 21 3HD1 ILE 21 -5.234 -4.532 0.712 142 HD12 ILE 21 1HD1 ILE 21 -5.113 -5.314 -0.883 143 HD13 ILE 21 2HD1 ILE 21 -6.637 -5.392 0.032 144 H ASP 22 H ASP 22 -2.088 -3.433 2.461 145 HA ASP 22 HA ASP 22 0.472 -4.630 3.067 146 HB3 ASP 22 2HB ASP 22 1.287 -2.468 3.281 147 HD2 ASP 22 HD ASP 22 1.516 -1.866 1.092 148 H ILE 23 H ILE 23 0.193 -5.965 4.904 149 HA ILE 23 HA ILE 23 -1.354 -4.848 7.124 150 HB ILE 23 HB ILE 23 -1.642 -7.051 7.903 151 HG13 ILE 23 2HG1 ILE 23 0.839 -7.565 6.554 152 HG21 ILE 23 1HG2 ILE 23 -2.552 -6.213 5.410 153 HG22 ILE 23 2HG2 ILE 23 -2.003 -7.884 5.141 154 HG23 ILE 23 3HG2 ILE 23 -3.210 -7.535 6.401 155 HD11 ILE 23 3HD1 ILE 23 0.331 -9.842 7.873 156 HD12 ILE 23 1HD1 ILE 23 0.748 -8.346 8.743 157 HD13 ILE 23 2HD1 ILE 23 -0.954 -8.849 8.603 158 H ARG 24 H ARG 24 1.019 -3.530 6.742 159 HA ARG 24 HA ARG 24 2.772 -4.799 8.685 160 HB3 ARG 24 2HB ARG 24 4.399 -4.328 7.159 161 HG3 ARG 24 2HG ARG 24 2.383 -4.038 5.517 162 HD3 ARG 24 2HD ARG 24 2.830 -1.266 6.477 163 HE ARG 24 HE ARG 24 3.773 -1.571 3.943 164 HH11 ARG 24 2HH2 ARG 24 0.709 -0.230 5.111 165 HH12 ARG 24 1HH2 ARG 24 0.530 0.854 3.773 166 HH22 ARG 24 1HH ARG 24 2.205 0.890 2.059 167 H ASP 25 H ASP 25 1.366 -1.639 7.590 168 HA ASP 25 HA ASP 25 0.744 -0.856 10.164 169 HB3 ASP 25 2HB ASP 25 2.591 1.230 9.613 170 HD2 ASP 25 HD ASP 25 1.897 0.302 12.919 171 H ALA 26 H ALA 26 0.541 1.869 10.008 172 HA ALA 26 HA ALA 26 -0.559 2.371 7.326 173 HB1 ALA 26 1HB ALA 26 -2.257 2.010 9.161 174 HB2 ALA 26 2HB ALA 26 -1.594 3.446 9.978 175 HB3 ALA 26 3HB ALA 26 -2.352 3.604 8.375 176 H ASP 27 H ASP 27 1.713 3.207 9.778 177 HA ASP 27 HA ASP 27 1.780 5.972 9.301 178 HB3 ASP 27 2HB ASP 27 4.356 4.899 10.131 179 HD2 ASP 27 HD ASP 27 2.836 5.629 13.214 180 H GLU 28 H GLU 28 3.985 3.204 8.399 181 HA GLU 28 HA GLU 28 5.738 4.548 6.861 182 HB3 GLU 28 2HB GLU 28 6.118 2.232 7.355 183 HG3 GLU 28 2HG GLU 28 3.716 1.526 5.612 184 HE2 GLU 28 HE GLU 28 5.677 -1.190 7.844 185 H TYR 29 H TYR 29 2.353 3.927 6.216 186 HA TYR 29 HA TYR 29 2.512 4.181 3.382 187 HB3 TYR 29 2HB TYR 29 0.153 4.798 5.241 188 HD1 TYR 29 1HD TYR 29 0.957 2.299 2.555 189 HD2 TYR 29 2HD TYR 29 -1.557 5.514 3.839 190 HE1 TYR 29 1HE TYR 29 -0.488 2.007 0.484 191 HE2 TYR 29 2HE TYR 29 -2.993 5.210 1.764 192 HH TYR 29 HH TYR 29 -3.175 2.656 0.058 193 H LEU 30 H LEU 30 2.390 6.403 6.121 194 HA LEU 30 HA LEU 30 1.244 8.592 4.815 195 HB3 LEU 30 2HB LEU 30 2.330 7.965 7.344 196 HG LEU 30 HG LEU 30 3.245 10.240 7.922 197 HD11 LEU 30 1HD1 LEU 30 5.215 9.228 8.062 198 HD12 LEU 30 2HD1 LEU 30 4.544 7.911 7.070 199 HD13 LEU 30 3HD1 LEU 30 5.423 9.251 6.295 200 HD21 LEU 30 3HD2 LEU 30 3.649 11.827 6.408 201 HD22 LEU 30 1HD2 LEU 30 4.404 10.679 5.275 202 HD23 LEU 30 2HD2 LEU 30 2.634 10.867 5.304 203 H ARG 31 H ARG 31 4.683 7.530 5.205 204 HA ARG 31 HA ARG 31 5.496 9.687 3.508 205 HB3 ARG 31 2HB ARG 31 7.720 8.017 3.874 206 HG3 ARG 31 2HG ARG 31 7.306 9.802 6.162 207 HD3 ARG 31 2HD ARG 31 9.038 10.880 4.114 208 HE ARG 31 HE ARG 31 9.331 9.795 6.844 209 HH11 ARG 31 2HH2 ARG 31 10.957 11.313 4.086 210 HH12 ARG 31 1HH2 ARG 31 12.294 11.883 5.029 211 HH22 ARG 31 1HH ARG 31 12.352 11.422 7.380 212 H GLU 32 H GLU 32 6.065 6.081 3.520 213 HA GLU 32 HA GLU 32 6.240 6.237 0.628 214 HB3 GLU 32 2HB GLU 32 7.081 3.783 0.983 215 HG3 GLU 32 2HG GLU 32 8.379 6.343 1.125 216 HE2 GLU 32 HE GLU 32 9.791 6.117 4.301 217 H HIS 33 H HIS 33 5.553 3.658 -0.148 218 HA HIS 33 HA HIS 33 3.035 2.973 1.044 219 HB3 HIS 33 2HB HIS 33 1.737 3.255 -1.032 220 HD1 HIS 33 1HD HIS 33 0.102 4.852 -0.029 221 HD2 HIS 33 2HD HIS 33 3.958 6.488 -0.269 222 HE1 HIS 33 1HE HIS 33 -0.092 7.263 0.784 223 H ILE 34 H ILE 34 3.022 2.118 -2.236 224 HA ILE 34 HA ILE 34 4.965 0.183 -2.447 225 HB ILE 34 HB ILE 34 3.177 -0.558 -0.465 226 HG13 ILE 34 2HG1 ILE 34 5.181 -1.594 -0.269 227 HG21 ILE 34 1HG2 ILE 34 2.524 -2.057 -3.017 228 HG22 ILE 34 2HG2 ILE 34 2.036 -2.548 -1.377 229 HG23 ILE 34 3HG2 ILE 34 1.425 -1.025 -2.068 230 HD11 ILE 34 3HD1 ILE 34 3.628 -3.476 -0.180 231 HD12 ILE 34 1HD1 ILE 34 3.605 -3.591 -1.955 232 HD13 ILE 34 2HD1 ILE 34 5.088 -3.993 -1.057 233 HA PRO 35 HA PRO 35 3.054 -0.133 -6.309 234 HB3 PRO 35 2HB PRO 35 4.725 -1.448 -7.191 235 HG3 PRO 35 2HG PRO 35 5.865 -2.725 -5.645 236 HD3 PRO 35 2HD PRO 35 5.492 -1.489 -3.742 237 H GLU 36 H GLU 36 0.929 0.387 -5.548 238 HA GLU 36 HA GLU 36 -1.215 -0.008 -5.835 239 HB3 GLU 36 2HB GLU 36 -1.275 -2.935 -6.115 240 HG3 GLU 36 2HG GLU 36 -1.871 -1.362 -8.504 241 HE2 GLU 36 HE GLU 36 -4.299 -1.625 -8.751 242 H ALA 37 H ALA 37 -1.488 0.554 -3.618 243 HA ALA 37 HA ALA 37 -2.120 -1.748 -1.936 244 HB1 ALA 37 1HB ALA 37 -0.120 -1.396 -0.894 245 HB2 ALA 37 2HB ALA 37 0.028 0.267 -1.512 246 HB3 ALA 37 3HB ALA 37 -1.007 -0.071 -0.103 247 H ASP 38 H ASP 38 -3.460 -1.033 0.004 248 HA ASP 38 HA ASP 38 -4.869 1.435 -0.612 249 HB3 ASP 38 2HB ASP 38 -6.589 -0.649 0.556 250 HD2 ASP 38 HD ASP 38 -7.754 1.324 0.487 251 H LEU 39 H LEU 39 -2.807 0.126 1.432 252 HA LEU 39 HA LEU 39 -2.363 0.185 3.595 253 HB3 LEU 39 2HB LEU 39 -4.346 2.452 3.450 254 HG LEU 39 HG LEU 39 -4.273 2.139 5.762 255 HD11 LEU 39 1HD1 LEU 39 -1.313 1.512 5.617 256 HD12 LEU 39 2HD1 LEU 39 -2.361 1.449 7.055 257 HD13 LEU 39 3HD1 LEU 39 -2.609 0.298 5.721 258 HD21 LEU 39 3HD2 LEU 39 -3.027 4.332 4.652 259 HD22 LEU 39 1HD2 LEU 39 -3.549 4.168 6.346 260 HD23 LEU 39 2HD2 LEU 39 -1.868 3.801 5.893 261 H ALA 40 H ALA 40 -2.857 -1.600 4.748 262 HA ALA 40 HA ALA 40 -5.391 -1.716 6.075 263 HB1 ALA 40 1HB ALA 40 -5.123 -2.990 3.533 264 HB2 ALA 40 2HB ALA 40 -5.125 -4.269 4.772 265 HB3 ALA 40 3HB ALA 40 -6.473 -3.110 4.687 266 HA PRO 41 HA PRO 41 -1.952 -3.465 8.349 267 HB3 PRO 41 2HB PRO 41 -1.410 -1.565 9.531 268 HG3 PRO 41 2HG PRO 41 -2.941 0.151 9.350 269 HD3 PRO 41 2HD PRO 41 -3.922 -0.388 7.341 270 H LEU 42 H LEU 42 -1.826 -5.360 9.456 271 HA LEU 42 HA LEU 42 -4.011 -6.938 9.595 272 HB3 LEU 42 2HB LEU 42 -1.789 -7.044 11.626 273 HG LEU 42 HG LEU 42 -3.461 -8.826 11.853 274 HD11 LEU 42 1HD1 LEU 42 -3.113 -8.993 8.905 275 HD12 LEU 42 2HD1 LEU 42 -3.326 -10.525 9.787 276 HD13 LEU 42 3HD1 LEU 42 -4.558 -9.246 9.914 277 HD21 LEU 42 3HD2 LEU 42 -0.666 -9.392 10.985 278 HD22 LEU 42 1HD2 LEU 42 -1.469 -9.677 12.549 279 HD23 LEU 42 2HD2 LEU 42 -1.774 -10.771 11.178 280 H SER 43 H SER 43 -3.100 -4.303 11.773 281 HA SER 43 HA SER 43 -4.518 -5.008 13.991 282 HB3 SER 43 2HB SER 43 -4.794 -2.403 14.210 283 HG SER 43 HG SER 43 -2.746 -4.042 14.648 284 H VAL 44 H VAL 44 -5.616 -3.727 10.849 285 HA VAL 44 HA VAL 44 -8.296 -3.287 11.853 286 HB VAL 44 HB VAL 44 -8.675 -2.142 9.919 287 HG11 VAL 44 1HG1 VAL 44 -5.644 -2.011 9.972 288 HG12 VAL 44 2HG1 VAL 44 -6.777 -0.754 9.421 289 HG13 VAL 44 3HG1 VAL 44 -6.700 -1.190 11.146 290 HG21 VAL 44 3HG2 VAL 44 -6.551 -3.771 8.483 291 HG22 VAL 44 1HG2 VAL 44 -8.305 -4.074 8.417 292 HG23 VAL 44 2HG2 VAL 44 -7.637 -2.563 7.755 293 H LEU 45 H LEU 45 -6.519 -5.465 9.573 294 HA LEU 45 HA LEU 45 -8.532 -6.919 8.551 295 HB3 LEU 45 2HB LEU 45 -6.877 -8.882 8.750 296 HG LEU 45 HG LEU 45 -5.073 -7.594 7.355 297 HD11 LEU 45 1HD1 LEU 45 -6.132 -8.813 5.832 298 HD12 LEU 45 2HD1 LEU 45 -7.663 -8.721 6.738 299 HD13 LEU 45 3HD1 LEU 45 -7.237 -7.439 5.580 300 HD21 LEU 45 3HD2 LEU 45 -7.290 -5.556 7.582 301 HD22 LEU 45 1HD2 LEU 45 -5.548 -5.345 7.880 302 HD23 LEU 45 2HD2 LEU 45 -6.144 -5.586 6.221 303 H GLU 46 H GLU 46 -6.964 -7.542 11.768 304 HA GLU 46 HA GLU 46 -8.626 -9.628 12.445 305 HB3 GLU 46 2HB GLU 46 -7.975 -8.421 14.876 306 HG3 GLU 46 2HG GLU 46 -5.737 -9.904 13.640 307 HE2 GLU 46 HE GLU 46 -5.445 -11.811 15.042 308 H GLN 47 H GLN 47 -9.046 -6.088 12.691 309 HA GLN 47 HA GLN 47 -11.325 -6.292 14.352 310 HB3 GLN 47 2HB GLN 47 -11.435 -3.792 13.094 311 HG3 GLN 47 2HG GLN 47 -9.889 -3.201 15.196 312 HE21 GLN 47 1HE2 GLN 47 -11.030 -2.647 17.107 313 HE22 GLN 47 2HE2 GLN 47 -12.761 -2.599 17.147 314 H SER 48 H SER 48 -10.669 -6.420 10.885 315 HA SER 48 HA SER 48 -13.505 -6.836 10.483 316 HB3 SER 48 2HB SER 48 -12.000 -5.239 8.413 317 HG SER 48 HG SER 48 -14.592 -4.507 9.115 318 H GLY 49 H GLY 49 -10.523 -6.500 8.417 319 HA2 GLY 49 1HA GLY 49 -9.371 -8.593 7.823 320 HA3 GLY 49 2HA GLY 49 -10.951 -9.298 7.546 321 H LEU 50 H LEU 50 -9.760 -9.684 5.359 322 HA LEU 50 HA LEU 50 -9.014 -7.836 3.583 323 HB3 LEU 50 2HB LEU 50 -10.019 -10.511 3.519 324 HG LEU 50 HG LEU 50 -11.881 -9.524 2.136 325 HD11 LEU 50 1HD1 LEU 50 -9.806 -8.985 0.020 326 HD12 LEU 50 2HD1 LEU 50 -11.510 -8.474 0.087 327 HD13 LEU 50 3HD1 LEU 50 -10.312 -7.723 1.170 328 HD21 LEU 50 3HD2 LEU 50 -10.009 -11.296 0.551 329 HD22 LEU 50 1HD2 LEU 50 -10.993 -11.866 1.921 330 HD23 LEU 50 2HD2 LEU 50 -11.785 -11.218 0.465 331 HA PRO 51 HA PRO 51 -12.500 -5.245 3.219 332 HB3 PRO 51 2HB PRO 51 -11.209 -3.343 3.356 333 HG3 PRO 51 2HG PRO 51 -8.955 -3.682 3.008 334 HD3 PRO 51 2HD PRO 51 -8.784 -5.904 3.575 335 H ALA 52 H ALA 52 -14.135 -4.584 1.722 336 HA ALA 52 HA ALA 52 -14.466 -6.518 -0.282 337 HB1 ALA 52 1HB ALA 52 -16.562 -5.719 -0.155 338 HB2 ALA 52 2HB ALA 52 -15.981 -4.507 1.012 339 HB3 ALA 52 3HB ALA 52 -16.033 -4.119 -0.725 340 H LYS 53 H LYS 53 -13.777 -2.951 -0.500 341 HA LYS 53 HA LYS 53 -13.541 -2.689 -3.166 342 HB3 LYS 53 2HB LYS 53 -13.319 -0.739 -1.934 343 HG3 LYS 53 2HG LYS 53 -10.835 -1.116 -0.483 344 HD3 LYS 53 2HD LYS 53 -13.529 -0.982 0.861 345 HE3 LYS 53 2HE LYS 53 -11.901 1.149 1.659 346 HZ1 LYS 53 2HZ LYS 53 -12.594 -1.476 2.718 347 HZ3 LYS 53 1HZ LYS 53 -12.790 -0.011 3.400 348 H LEU 54 H LEU 54 -10.919 -3.827 -0.930 349 HA LEU 54 HA LEU 54 -9.421 -4.673 -3.287 350 HB3 LEU 54 2HB LEU 54 -7.523 -4.775 -1.888 351 HG LEU 54 HG LEU 54 -7.174 -2.599 -1.554 352 HD11 LEU 54 1HD1 LEU 54 -10.023 -1.888 -2.126 353 HD12 LEU 54 2HD1 LEU 54 -8.515 -1.197 -2.772 354 HD13 LEU 54 3HD1 LEU 54 -9.092 -2.777 -3.355 355 HD21 LEU 54 3HD2 LEU 54 -7.929 -2.735 0.750 356 HD22 LEU 54 1HD2 LEU 54 -8.449 -1.197 0.019 357 HD23 LEU 54 2HD2 LEU 54 -9.619 -2.521 0.235 358 H ARG 55 H ARG 55 -11.661 -6.158 -3.147 359 HA ARG 55 HA ARG 55 -10.805 -8.556 -1.740 360 HB3 ARG 55 2HB ARG 55 -13.094 -7.479 -1.190 361 HG3 ARG 55 2HG ARG 55 -13.377 -7.629 -4.007 362 HD3 ARG 55 2HD ARG 55 -15.038 -9.720 -2.535 363 HE ARG 55 HE ARG 55 -16.191 -7.980 -4.313 364 HH11 ARG 55 2HH2 ARG 55 -15.285 -11.393 -4.601 365 HH12 ARG 55 1HH2 ARG 55 -16.531 -11.756 -5.748 366 HH22 ARG 55 1HH ARG 55 -18.019 -10.014 -6.454 367 H HIS 56 H HIS 56 -10.306 -7.258 -4.614 368 HA HIS 56 HA HIS 56 -11.449 -8.551 -6.627 369 HB3 HIS 56 2HB HIS 56 -8.448 -8.234 -6.371 370 HD1 HIS 56 1HD HIS 56 -11.257 -7.607 -8.927 371 HD2 HIS 56 2HD HIS 56 -7.380 -9.190 -8.682 372 HE1 HIS 56 1HE HIS 56 -10.629 -8.329 -11.293 373 H GLU 57 H GLU 57 -11.266 -10.558 -7.750 374 HA GLU 57 HA GLU 57 -11.350 -12.780 -6.325 375 HB3 GLU 57 2HB GLU 57 -10.013 -12.715 -9.059 376 HG3 GLU 57 2HG GLU 57 -10.961 -14.816 -7.357 377 HE2 GLU 57 HE GLU 57 -12.940 -15.440 -7.147 378 H GLN 58 H GLN 58 -8.350 -11.247 -7.607 379 HA GLN 58 HA GLN 58 -6.878 -13.094 -5.895 380 HB3 GLN 58 2HB GLN 58 -4.953 -12.469 -7.639 381 HG3 GLN 58 2HG GLN 58 -6.935 -14.604 -7.444 382 HE21 GLN 58 1HE2 GLN 58 -4.595 -14.295 -10.051 383 HE22 GLN 58 2HE2 GLN 58 -5.671 -14.592 -11.376 384 H ILE 59 H ILE 59 -5.831 -12.104 -4.224 385 HA ILE 59 HA ILE 59 -5.198 -9.256 -4.581 386 HB ILE 59 HB ILE 59 -5.803 -8.804 -2.389 387 HG13 ILE 59 2HG1 ILE 59 -4.660 -11.031 -1.593 388 HG21 ILE 59 1HG2 ILE 59 -7.761 -9.017 -3.744 389 HG22 ILE 59 2HG2 ILE 59 -7.789 -10.784 -3.531 390 HG23 ILE 59 3HG2 ILE 59 -8.122 -9.716 -2.147 391 HD11 ILE 59 3HD1 ILE 59 -5.329 -10.464 0.545 392 HD12 ILE 59 1HD1 ILE 59 -5.927 -9.017 -0.301 393 HD13 ILE 59 2HD1 ILE 59 -7.045 -10.345 0.090 394 H ILE 60 H ILE 60 -3.593 -8.875 -2.346 395 HA ILE 60 HA ILE 60 -1.607 -10.959 -2.299 396 HB ILE 60 HB ILE 60 -1.105 -8.303 -3.629 397 HG13 ILE 60 2HG1 ILE 60 -1.767 -9.780 -5.284 398 HG21 ILE 60 1HG2 ILE 60 0.656 -8.649 -1.981 399 HG22 ILE 60 2HG2 ILE 60 0.949 -10.287 -2.612 400 HG23 ILE 60 3HG2 ILE 60 1.281 -8.868 -3.632 401 HD11 ILE 60 3HD1 ILE 60 0.276 -10.556 -6.456 402 HD12 ILE 60 1HD1 ILE 60 0.511 -8.921 -5.793 403 HD13 ILE 60 2HD1 ILE 60 1.222 -10.327 -4.965 404 H PHE 61 H PHE 61 0.179 -10.370 -0.714 405 HA PHE 61 HA PHE 61 -0.743 -8.349 1.187 406 HB3 PHE 61 2HB PHE 61 0.150 -10.251 2.877 407 HD1 PHE 61 1HD PHE 61 -2.048 -8.437 2.945 408 HD2 PHE 61 2HD PHE 61 -2.062 -12.543 1.873 409 HE1 PHE 61 1HE PHE 61 -4.466 -8.599 3.597 410 HE2 PHE 61 2HE PHE 61 -4.480 -12.704 2.525 411 HZ PHE 61 HZ PHE 61 -5.653 -10.731 3.379 412 H HIS 62 H HIS 62 1.064 -8.091 2.990 413 HA HIS 62 HA HIS 62 3.669 -8.815 2.465 414 HB3 HIS 62 2HB HIS 62 2.948 -7.131 0.481 415 HD1 HIS 62 1HD HIS 62 5.620 -5.338 2.395 416 HD2 HIS 62 2HD HIS 62 1.623 -4.725 1.281 417 HE1 HIS 62 1HE HIS 62 5.128 -2.872 2.829 418 H CYS 63 H CYS 63 5.244 -7.411 3.811 419 HA CYS 63 HA CYS 63 4.391 -5.477 5.543 420 HB3 CYS 63 2HB CYS 63 3.826 -8.249 6.580 421 HG CYS 63 HG CYS 63 4.629 -8.011 8.788 422 H GLN 64 H GLN 64 6.213 -4.773 6.772 423 HA GLN 64 HA GLN 64 8.344 -4.535 7.150 424 HB3 GLN 64 2HB GLN 64 8.999 -7.367 7.656 425 HG3 GLN 64 2HG GLN 64 10.204 -5.444 8.681 426 HE21 GLN 64 1HE2 GLN 64 10.108 -3.433 9.313 427 HE22 GLN 64 2HE2 GLN 64 8.751 -2.612 10.009 428 H ALA 65 H ALA 65 10.608 -6.351 6.810 429 HA ALA 65 HA ALA 65 10.545 -7.027 3.983 430 HB1 ALA 65 1HB ALA 65 12.993 -5.614 4.498 431 HB2 ALA 65 2HB ALA 65 11.713 -5.228 3.322 432 HB3 ALA 65 3HB ALA 65 11.630 -4.574 4.976 433 H GLY 66 H GLY 66 10.430 -8.951 5.814 434 HA2 GLY 66 1HA GLY 66 12.896 -10.325 5.521 435 HA3 GLY 66 2HA GLY 66 12.725 -9.730 7.160 436 H LYS 67 H LYS 67 10.729 -11.382 4.602 437 HA LYS 67 HA LYS 67 9.030 -12.819 4.829 438 HB3 LYS 67 2HB LYS 67 10.177 -14.707 6.603 439 HG3 LYS 67 2HG LYS 67 10.505 -14.458 3.577 440 HD3 LYS 67 2HD LYS 67 11.621 -16.337 5.175 441 HE3 LYS 67 2HE LYS 67 8.817 -17.381 4.544 442 HZ1 LYS 67 2HZ LYS 67 11.302 -18.680 5.449 443 HZ3 LYS 67 1HZ LYS 67 10.217 -19.216 4.357 444 H ARG 68 H ARG 68 8.339 -10.684 6.321 445 HA ARG 68 HA ARG 68 7.722 -11.699 8.952 446 HB3 ARG 68 2HB ARG 68 6.868 -8.952 8.028 447 HG3 ARG 68 2HG ARG 68 6.685 -10.063 10.435 448 HD3 ARG 68 2HD ARG 68 9.468 -8.847 10.630 449 HE ARG 68 HE ARG 68 7.624 -9.726 12.568 450 HH11 ARG 68 2HH2 ARG 68 10.976 -10.466 11.691 451 HH12 ARG 68 1HH2 ARG 68 11.430 -10.913 13.302 452 HH22 ARG 68 1HH ARG 68 9.794 -10.815 15.051 453 H THR 69 H THR 69 6.439 -12.203 6.038 454 HA THR 69 HA THR 69 3.661 -11.712 6.886 455 HB THR 69 HB THR 69 4.398 -12.317 4.030 456 HG1 THR 69 1HG THR 69 6.020 -10.783 4.592 457 HG21 THR 69 3HG2 THR 69 2.043 -11.675 4.827 458 HG22 THR 69 1HG2 THR 69 2.711 -10.085 5.270 459 HG23 THR 69 2HG2 THR 69 2.716 -10.611 3.569 460 H SER 70 H SER 70 5.805 -14.072 5.165 461 HA SER 70 HA SER 70 3.948 -16.078 5.044 462 HB3 SER 70 2HB SER 70 6.675 -17.058 5.561 463 HG SER 70 HG SER 70 5.622 -18.356 4.175 464 H ASN 71 H ASN 71 5.620 -14.725 7.786 465 HA ASN 71 HA ASN 71 5.777 -16.957 9.404 466 HB3 ASN 71 2HB ASN 71 5.254 -14.822 11.148 467 HD21 ASN 71 1HD2 ASN 71 7.349 -13.725 11.836 468 HD22 ASN 71 2HD2 ASN 71 8.788 -14.689 11.808 469 H ASN 72 H ASN 72 3.197 -14.486 8.825 470 HA ASN 72 HA ASN 72 1.381 -16.241 10.282 471 HB3 ASN 72 2HB ASN 72 0.190 -14.320 11.129 472 HD21 ASN 72 1HD2 ASN 72 2.429 -15.808 11.935 473 HD22 ASN 72 2HD2 ASN 72 3.474 -14.809 12.889 474 H ALA 73 H ALA 73 2.089 -16.318 7.426 475 HA ALA 73 HA ALA 73 -0.025 -14.930 6.033 476 HB1 ALA 73 1HB ALA 73 1.031 -15.981 4.043 477 HB2 ALA 73 2HB ALA 73 2.211 -15.102 5.043 478 HB3 ALA 73 3HB ALA 73 2.130 -16.878 5.118 479 H ASP 74 H ASP 74 0.043 -17.569 8.030 480 HA ASP 74 HA ASP 74 -1.304 -19.445 6.422 481 HB3 ASP 74 2HB ASP 74 -1.941 -19.838 9.195 482 HD2 ASP 74 HD ASP 74 -1.887 -21.344 6.909 483 H LYS 75 H LYS 75 -2.186 -16.809 8.705 484 HA LYS 75 HA LYS 75 -4.999 -17.487 8.532 485 HB3 LYS 75 2HB LYS 75 -4.535 -15.023 9.903 486 HG3 LYS 75 2HG LYS 75 -5.374 -16.313 11.816 487 HD3 LYS 75 2HD LYS 75 -6.611 -16.502 9.139 488 HE3 LYS 75 2HE LYS 75 -6.937 -18.720 11.119 489 HZ1 LYS 75 2HZ LYS 75 -9.044 -17.475 11.328 490 HZ3 LYS 75 1HZ LYS 75 -9.292 -18.910 10.598 491 H LEU 76 H LEU 76 -2.751 -14.788 7.642 492 HA LEU 76 HA LEU 76 -4.490 -13.044 6.549 493 HB3 LEU 76 2HB LEU 76 -2.592 -12.557 4.907 494 HG LEU 76 HG LEU 76 -2.189 -12.565 7.893 495 HD11 LEU 76 1HD1 LEU 76 -0.017 -12.861 6.386 496 HD12 LEU 76 2HD1 LEU 76 -0.231 -11.106 6.182 497 HD13 LEU 76 3HD1 LEU 76 -0.047 -11.797 7.812 498 HD21 LEU 76 3HD2 LEU 76 -3.595 -10.831 7.475 499 HD22 LEU 76 1HD2 LEU 76 -2.050 -9.999 7.175 500 HD23 LEU 76 2HD2 LEU 76 -3.015 -10.607 5.807 501 H ALA 77 H ALA 77 -3.347 -16.145 5.152 502 HA ALA 77 HA ALA 77 -4.548 -15.716 2.626 503 HB1 ALA 77 1HB ALA 77 -2.684 -17.404 3.543 504 HB2 ALA 77 2HB ALA 77 -4.099 -18.468 3.727 505 HB3 ALA 77 3HB ALA 77 -3.692 -17.798 2.129 506 H ALA 78 H ALA 78 -5.557 -17.336 5.691 507 HA ALA 78 HA ALA 78 -8.019 -18.244 4.598 508 HB1 ALA 78 1HB ALA 78 -6.749 -19.253 6.539 509 HB2 ALA 78 2HB ALA 78 -7.242 -17.847 7.512 510 HB3 ALA 78 3HB ALA 78 -8.473 -18.952 6.860 511 H ILE 79 H ILE 79 -6.817 -15.164 5.459 512 HA ILE 79 HA ILE 79 -9.379 -14.167 6.368 513 HB ILE 79 HB ILE 79 -6.582 -13.257 6.352 514 HG13 ILE 79 2HG1 ILE 79 -7.966 -14.074 8.328 515 HG21 ILE 79 1HG2 ILE 79 -7.351 -11.508 4.951 516 HG22 ILE 79 2HG2 ILE 79 -8.859 -11.326 5.878 517 HG23 ILE 79 3HG2 ILE 79 -7.305 -10.848 6.604 518 HD11 ILE 79 3HD1 ILE 79 -5.821 -12.559 8.343 519 HD12 ILE 79 1HD1 ILE 79 -6.953 -11.252 8.766 520 HD13 ILE 79 2HD1 ILE 79 -6.798 -12.673 9.826 521 H ALA 80 H ALA 80 -7.073 -13.641 3.613 522 HA ALA 80 HA ALA 80 -9.026 -12.094 2.201 523 HB1 ALA 80 1HB ALA 80 -6.735 -11.505 1.893 524 HB2 ALA 80 2HB ALA 80 -6.267 -13.191 1.567 525 HB3 ALA 80 3HB ALA 80 -7.236 -12.290 0.376 526 H ALA 81 H ALA 81 -8.213 -15.476 2.595 527 HA ALA 81 HA ALA 81 -8.867 -16.574 0.191 528 HB1 ALA 81 1HB ALA 81 -8.947 -17.384 3.047 529 HB2 ALA 81 2HB ALA 81 -9.957 -18.356 1.950 530 HB3 ALA 81 3HB ALA 81 -8.210 -18.198 1.646 531 HA PRO 82 HA PRO 82 -10.051 -18.523 -0.001 532 HB3 PRO 82 2HB PRO 82 -11.779 -19.933 -0.572 533 HG3 PRO 82 2HG PRO 82 -13.823 -18.896 -0.827 534 HD3 PRO 82 2HD PRO 82 -13.502 -17.033 0.483 535 H ALA 83 H ALA 83 -10.760 -15.676 -1.622 536 HA ALA 83 HA ALA 83 -9.653 -15.818 -4.037 537 HB1 ALA 83 1HB ALA 83 -8.593 -13.492 -3.331 538 HB2 ALA 83 2HB ALA 83 -10.360 -13.698 -3.405 539 HB3 ALA 83 3HB ALA 83 -9.520 -13.769 -1.837 540 H GLU 84 H GLU 84 -7.489 -15.506 -4.951 541 HA GLU 84 HA GLU 84 -5.619 -17.121 -3.557 542 HB3 GLU 84 2HB GLU 84 -4.181 -16.348 -5.664 543 HG3 GLU 84 2HG GLU 84 -5.773 -17.938 -7.084 544 HE2 GLU 84 HE GLU 84 -4.332 -20.626 -6.312 545 H ILE 85 H ILE 85 -3.761 -16.504 -2.447 546 HA ILE 85 HA ILE 85 -3.323 -13.604 -2.279 547 HB ILE 85 HB ILE 85 -3.392 -15.758 -0.223 548 HG13 ILE 85 2HG1 ILE 85 -4.156 -12.834 -0.044 549 HG21 ILE 85 1HG2 ILE 85 -1.686 -13.267 0.052 550 HG22 ILE 85 2HG2 ILE 85 -2.029 -14.464 1.323 551 HG23 ILE 85 3HG2 ILE 85 -1.080 -14.933 -0.108 552 HD11 ILE 85 3HD1 ILE 85 -5.598 -15.222 -1.194 553 HD12 ILE 85 1HD1 ILE 85 -6.528 -14.025 -0.260 554 HD13 ILE 85 2HD1 ILE 85 -5.637 -13.521 -1.716 555 H PHE 86 H PHE 86 -1.003 -13.004 -1.756 556 HA PHE 86 HA PHE 86 0.955 -14.978 -2.502 557 HB3 PHE 86 2HB PHE 86 1.776 -13.462 -4.381 558 HD1 PHE 86 1HD PHE 86 1.445 -15.653 -5.427 559 HD2 PHE 86 2HD PHE 86 -1.806 -12.987 -4.845 560 HE1 PHE 86 1HE PHE 86 0.065 -16.981 -7.049 561 HE2 PHE 86 2HE PHE 86 -3.186 -14.316 -6.468 562 HZ PHE 86 HZ PHE 86 -2.234 -16.297 -7.550 563 H LEU 87 H LEU 87 3.155 -14.270 -2.047 564 HA LEU 87 HA LEU 87 3.164 -11.966 -0.230 565 HB3 LEU 87 2HB LEU 87 5.473 -13.662 -0.000 566 HG LEU 87 HG LEU 87 4.832 -12.357 1.889 567 HD11 LEU 87 1HD1 LEU 87 2.127 -13.343 1.253 568 HD12 LEU 87 2HD1 LEU 87 2.511 -13.260 2.989 569 HD13 LEU 87 3HD1 LEU 87 2.657 -11.805 1.974 570 HD21 LEU 87 3HD2 LEU 87 4.970 -15.245 2.023 571 HD22 LEU 87 1HD2 LEU 87 5.667 -14.016 3.106 572 HD23 LEU 87 2HD2 LEU 87 4.001 -14.587 3.365 573 H LEU 88 H LEU 88 3.954 -10.148 -1.135 574 HA LEU 88 HA LEU 88 5.554 -10.300 -3.492 575 HB3 LEU 88 2HB LEU 88 4.671 -8.002 -1.745 576 HG LEU 88 HG LEU 88 6.738 -7.526 -3.205 577 HD11 LEU 88 1HD1 LEU 88 5.699 -6.897 -5.619 578 HD12 LEU 88 2HD1 LEU 88 6.550 -8.420 -5.265 579 HD13 LEU 88 3HD1 LEU 88 4.771 -8.371 -5.250 580 HD21 LEU 88 3HD2 LEU 88 4.236 -6.019 -2.877 581 HD22 LEU 88 1HD2 LEU 88 5.923 -5.537 -2.578 582 HD23 LEU 88 2HD2 LEU 88 5.256 -5.461 -4.226 583 H GLU 89 H GLU 89 7.111 -11.816 -2.175 584 HA GLU 89 HA GLU 89 9.161 -12.088 -1.503 585 HB3 GLU 89 2HB GLU 89 9.955 -9.231 -1.258 586 HG3 GLU 89 2HG GLU 89 11.693 -10.910 -1.324 587 HE2 GLU 89 HE GLU 89 11.085 -12.836 -4.689 588 H ASP 90 H ASP 90 10.828 -10.631 0.322 589 HA ASP 90 HA ASP 90 10.056 -11.459 2.687 590 HB3 ASP 90 2HB ASP 90 11.500 -9.773 3.692 591 HD2 ASP 90 HD ASP 90 13.988 -11.309 2.696 592 H GLY 91 H GLY 91 9.015 -8.419 1.051 593 HA2 GLY 91 1HA GLY 91 6.508 -8.253 2.150 594 HA3 GLY 91 2HA GLY 91 7.539 -7.395 3.277 595 H ILE 92 H ILE 92 9.382 -6.032 1.849 596 HA ILE 92 HA ILE 92 7.972 -4.689 -0.322 597 HB ILE 92 HB ILE 92 7.905 -3.659 2.208 598 HG13 ILE 92 2HG1 ILE 92 7.247 -1.539 1.085 599 HG21 ILE 92 1HG2 ILE 92 10.433 -3.326 1.962 600 HG22 ILE 92 2HG2 ILE 92 10.025 -2.035 0.807 601 HG23 ILE 92 3HG2 ILE 92 9.461 -1.933 2.492 602 HD11 ILE 92 3HD1 ILE 92 7.990 -3.047 -1.463 603 HD12 ILE 92 1HD1 ILE 92 7.244 -1.434 -1.361 604 HD13 ILE 92 2HD1 ILE 92 8.916 -1.678 -0.798 605 H ASP 93 H ASP 93 10.402 -6.578 0.340 606 HA ASP 93 HA ASP 93 12.575 -4.915 -0.487 607 HB3 ASP 93 2HB ASP 93 12.196 -7.806 0.294 608 HD2 ASP 93 HD ASP 93 15.917 -7.757 -0.564 609 H GLY 94 H GLY 94 10.091 -6.983 -1.860 610 HA2 GLY 94 1HA GLY 94 11.414 -7.836 -4.214 611 HA3 GLY 94 2HA GLY 94 9.686 -7.779 -3.928 612 H TRP 95 H TRP 95 8.880 -5.265 -3.710 613 HA TRP 95 HA TRP 95 8.891 -4.222 -6.219 614 HB3 TRP 95 2HB TRP 95 8.564 -2.796 -3.575 615 HD1 TRP 95 HD TRP 95 8.551 -0.214 -3.925 616 HE1 TRP 95 1HE TRP 95 7.859 1.537 -5.775 617 HE3 TRP 95 3HE TRP 95 7.129 -3.652 -7.393 618 HZ2 TRP 95 2HZ TRP 95 6.818 1.293 -8.421 619 HZ3 TRP 95 3HZ TRP 95 6.287 -2.811 -9.583 620 HH2 TRP 95 HH TRP 95 6.120 -0.433 -10.121 621 H LYS 96 H LYS 96 11.096 -3.484 -3.443 622 HA LYS 96 HA LYS 96 12.567 -1.540 -4.884 623 HB3 LYS 96 2HB LYS 96 13.883 -2.915 -2.623 624 HG3 LYS 96 2HG LYS 96 12.978 -0.024 -2.964 625 HD3 LYS 96 2HD LYS 96 14.132 -1.276 -0.800 626 HE3 LYS 96 2HE LYS 96 16.244 -0.882 -2.784 627 HZ1 LYS 96 2HZ LYS 96 16.988 1.068 -1.888 628 HZ3 LYS 96 1HZ LYS 96 17.627 0.107 -0.740 629 H LYS 97 H LYS 97 12.755 -5.080 -4.458 630 HA LYS 97 HA LYS 97 15.267 -5.672 -5.168 631 HB3 LYS 97 2HB LYS 97 12.919 -7.088 -6.437 632 HG3 LYS 97 2HG LYS 97 15.323 -7.847 -6.848 633 HD3 LYS 97 2HD LYS 97 15.195 -7.991 -3.834 634 HE3 LYS 97 2HE LYS 97 16.215 -10.121 -5.646 635 HZ1 LYS 97 2HZ LYS 97 17.896 -9.262 -3.359 636 HZ3 LYS 97 1HZ LYS 97 18.267 -8.884 -4.899 637 H ALA 98 H ALA 98 12.643 -5.356 -7.669 638 HA ALA 98 HA ALA 98 14.347 -5.296 -9.833 639 HB1 ALA 98 1HB ALA 98 11.544 -4.770 -9.224 640 HB2 ALA 98 2HB ALA 98 12.149 -3.673 -10.489 641 HB3 ALA 98 3HB ALA 98 12.277 -5.435 -10.704 642 H GLY 99 H GLY 99 13.476 -2.773 -7.485 643 HA2 GLY 99 1HA GLY 99 15.117 -1.032 -7.168 644 HA3 GLY 99 2HA GLY 99 15.309 -0.939 -8.907 645 H LEU 100 H LEU 100 12.294 -1.191 -6.904 646 HA LEU 100 HA LEU 100 11.477 1.369 -8.096 647 HB3 LEU 100 2HB LEU 100 9.236 0.595 -8.141 648 HG LEU 100 HG LEU 100 11.261 -1.034 -9.472 649 HD11 LEU 100 1HD1 LEU 100 10.396 -3.082 -9.460 650 HD12 LEU 100 2HD1 LEU 100 9.369 -2.553 -8.104 651 HD13 LEU 100 3HD1 LEU 100 8.754 -2.469 -9.773 652 HD21 LEU 100 3HD2 LEU 100 8.602 -0.626 -10.696 653 HD22 LEU 100 1HD2 LEU 100 9.462 0.855 -10.209 654 HD23 LEU 100 2HD2 LEU 100 10.231 -0.293 -11.331 655 HA PRO 101 HA PRO 101 11.257 2.761 -4.006 656 HB3 PRO 101 2HB PRO 101 11.623 4.939 -4.663 657 HG3 PRO 101 2HG PRO 101 11.165 5.365 -6.883 658 HD3 PRO 101 2HD PRO 101 11.406 3.254 -7.762 659 H VAL 102 H VAL 102 8.260 4.213 -4.983 660 HA VAL 102 HA VAL 102 6.506 2.235 -4.313 661 HB VAL 102 HB VAL 102 6.004 3.372 -1.914 662 HG11 VAL 102 1HG1 VAL 102 6.158 1.233 -1.286 663 HG12 VAL 102 2HG1 VAL 102 6.809 0.874 -2.903 664 HG13 VAL 102 3HG1 VAL 102 7.918 1.217 -1.553 665 HG21 VAL 102 3HG2 VAL 102 8.910 2.980 -1.536 666 HG22 VAL 102 1HG2 VAL 102 8.456 4.453 -2.425 667 HG23 VAL 102 2HG2 VAL 102 7.801 4.159 -0.797 668 H ALA 103 H ALA 103 4.385 3.500 -3.160 669 HA ALA 103 HA ALA 103 3.844 5.542 -5.112 670 HB1 ALA 103 1HB ALA 103 2.381 3.571 -3.766 671 HB2 ALA 103 2HB ALA 103 1.812 5.101 -3.054 672 HB3 ALA 103 3HB ALA 103 1.720 4.850 -4.814 673 H VAL 104 H VAL 104 5.919 6.531 -3.684 674 HA VAL 104 HA VAL 104 4.979 7.997 -1.403 675 HB VAL 104 HB VAL 104 7.530 8.665 -2.770 676 HG11 VAL 104 1HG1 VAL 104 6.517 9.364 -0.397 677 HG12 VAL 104 2HG1 VAL 104 7.319 7.854 0.097 678 HG13 VAL 104 3HG1 VAL 104 8.266 9.158 -0.662 679 HG21 VAL 104 3HG2 VAL 104 8.493 6.555 -1.544 680 HG22 VAL 104 1HG2 VAL 104 6.842 5.921 -1.754 681 HG23 VAL 104 2HG2 VAL 104 7.798 6.402 -3.176 682 H ASN 105 H ASN 105 3.813 9.838 -1.514 683 HA ASN 105 HA ASN 105 2.944 11.023 -3.710 684 HB3 ASN 105 2HB ASN 105 3.802 12.811 -1.410 685 HD21 ASN 105 1HD2 ASN 105 2.019 14.210 -0.794 686 HD22 ASN 105 2HD2 ASN 105 0.879 14.736 -1.988 687 H LYS 106 H LYS 106 5.679 12.415 -1.727 688 HA LYS 106 HA LYS 106 6.516 14.187 -3.714 689 HB3 LYS 106 2HB LYS 106 8.556 13.266 -1.790 690 HG3 LYS 106 2HG LYS 106 7.544 15.965 -1.457 691 HD3 LYS 106 2HD LYS 106 10.082 15.144 -2.914 692 HE3 LYS 106 2HE LYS 106 9.799 17.244 -0.751 693 HZ1 LYS 106 2HZ LYS 106 11.567 16.768 -3.072 694 HZ3 LYS 106 1HZ LYS 106 11.994 16.946 -1.511 695 H SER 107 H SER 107 7.508 13.834 -5.620 696 HA SER 107 HA SER 107 8.552 11.198 -6.081 697 HB3 SER 107 2HB SER 107 8.978 12.829 -8.367 698 HG SER 107 HG SER 107 6.568 11.639 -8.558 699 H GLN 108 H GLN 108 10.682 11.247 -7.613 700 HA GLN 108 HA GLN 108 12.569 12.924 -6.157 701 HB3 GLN 108 2HB GLN 108 13.219 10.380 -7.697 702 HG3 GLN 108 2HG GLN 108 14.698 12.316 -5.998 703 HE21 GLN 108 1HE2 GLN 108 16.861 10.120 -6.240 704 HE22 GLN 108 2HE2 GLN 108 16.729 9.222 -4.764 Start of MODEL 9 1 H1 ALA 1 H ALA 1 3.347 -22.511 1.205 2 HA ALA 1 HA ALA 1 1.325 -20.991 2.507 3 HB1 ALA 1 1HB ALA 1 4.231 -21.129 2.347 4 HB2 ALA 1 2HB ALA 1 3.663 -19.444 2.277 5 HB3 ALA 1 3HB ALA 1 3.198 -20.483 3.645 6 H LEU 2 H LEU 2 -0.191 -19.944 1.293 7 HA LEU 2 HA LEU 2 -1.094 -18.780 -0.371 8 HB3 LEU 2 2HB LEU 2 0.350 -16.648 -0.898 9 HG LEU 2 HG LEU 2 -1.652 -16.653 0.596 10 HD11 LEU 2 1HD1 LEU 2 -0.344 -16.580 3.130 11 HD12 LEU 2 2HD1 LEU 2 -1.628 -17.673 2.562 12 HD13 LEU 2 3HD1 LEU 2 0.080 -18.107 2.321 13 HD21 LEU 2 3HD2 LEU 2 -0.602 -14.564 0.211 14 HD22 LEU 2 1HD2 LEU 2 -0.903 -14.661 1.962 15 HD23 LEU 2 2HD2 LEU 2 0.734 -14.945 1.325 16 H THR 3 H THR 3 1.815 -17.498 -1.765 17 HA THR 3 HA THR 3 2.342 -19.639 -3.559 18 HB THR 3 HB THR 3 0.490 -17.367 -4.389 19 HG1 THR 3 1HG THR 3 0.700 -20.244 -4.927 20 HG21 THR 3 3HG2 THR 3 0.834 -18.462 -6.741 21 HG22 THR 3 1HG2 THR 3 2.065 -17.297 -6.199 22 HG23 THR 3 2HG2 THR 3 2.385 -19.044 -6.090 23 H THR 4 H THR 4 3.620 -17.681 -1.657 24 HA THR 4 HA THR 4 5.018 -15.734 -2.050 25 HB THR 4 HB THR 4 7.260 -17.134 -2.097 26 HG1 THR 4 1HG THR 4 6.781 -19.409 -1.986 27 HG21 THR 4 3HG2 THR 4 7.024 -17.458 0.176 28 HG22 THR 4 1HG2 THR 4 5.480 -16.597 -0.036 29 HG23 THR 4 2HG2 THR 4 5.512 -18.377 -0.027 30 H ILE 5 H ILE 5 4.860 -14.401 -3.780 31 HA ILE 5 HA ILE 5 5.927 -15.456 -6.302 32 HB ILE 5 HB ILE 5 3.642 -14.817 -6.505 33 HG13 ILE 5 2HG1 ILE 5 3.918 -13.787 -8.479 34 HG21 ILE 5 1HG2 ILE 5 3.237 -13.426 -4.646 35 HG22 ILE 5 2HG2 ILE 5 4.481 -12.253 -5.146 36 HG23 ILE 5 3HG2 ILE 5 2.972 -12.402 -6.078 37 HD11 ILE 5 3HD1 ILE 5 5.301 -11.634 -6.852 38 HD12 ILE 5 1HD1 ILE 5 5.400 -11.632 -8.629 39 HD13 ILE 5 2HD1 ILE 5 3.816 -11.515 -7.826 40 H SER 6 H SER 6 7.537 -14.292 -7.424 41 HA SER 6 HA SER 6 9.246 -12.850 -5.720 42 HB3 SER 6 2HB SER 6 10.733 -12.734 -7.636 43 HG SER 6 HG SER 6 9.219 -15.174 -7.985 44 HA PRO 7 HA PRO 7 7.869 -8.814 -6.591 45 HB3 PRO 7 2HB PRO 7 9.033 -7.944 -4.806 46 HG3 PRO 7 2HG PRO 7 10.819 -9.223 -4.105 47 HD3 PRO 7 2HD PRO 7 10.167 -11.290 -4.871 48 H HIS 8 H HIS 8 7.885 -9.934 -8.906 49 HA HIS 8 HA HIS 8 8.950 -7.830 -10.544 50 HB3 HIS 8 2HB HIS 8 10.320 -9.176 -11.951 51 HD1 HIS 8 1HD HIS 8 12.422 -8.098 -11.072 52 HD2 HIS 8 2HD HIS 8 10.804 -10.885 -8.387 53 HE1 HIS 8 1HE HIS 8 14.116 -8.332 -9.179 54 H ASP 9 H ASP 9 7.360 -11.068 -10.324 55 HA ASP 9 HA ASP 9 5.949 -10.614 -12.743 56 HB3 ASP 9 2HB ASP 9 4.624 -12.656 -11.344 57 HD2 ASP 9 HD ASP 9 5.525 -13.395 -14.624 58 H ALA 10 H ALA 10 5.640 -9.730 -9.400 59 HA ALA 10 HA ALA 10 2.766 -9.647 -9.359 60 HB1 ALA 10 1HB ALA 10 3.211 -9.710 -7.159 61 HB2 ALA 10 2HB ALA 10 4.951 -9.532 -7.491 62 HB3 ALA 10 3HB ALA 10 3.934 -8.088 -7.270 63 H GLN 11 H GLN 11 5.531 -7.425 -9.901 64 HA GLN 11 HA GLN 11 4.217 -5.052 -9.709 65 HB3 GLN 11 2HB GLN 11 6.528 -5.980 -11.440 66 HG3 GLN 11 2HG GLN 11 5.503 -3.118 -11.138 67 HE21 GLN 11 1HE2 GLN 11 6.592 -1.749 -12.816 68 HE22 GLN 11 2HE2 GLN 11 8.303 -1.919 -13.019 69 H GLU 12 H GLU 12 3.746 -7.613 -12.007 70 HA GLU 12 HA GLU 12 2.648 -5.842 -13.988 71 HB3 GLU 12 2HB GLU 12 2.212 -8.758 -14.307 72 HG3 GLU 12 2HG GLU 12 3.990 -7.226 -16.138 73 HE2 GLU 12 HE GLU 12 2.194 -8.792 -18.653 74 H LEU 13 H LEU 13 1.399 -8.860 -12.374 75 HA LEU 13 HA LEU 13 -1.218 -8.575 -12.906 76 HB3 LEU 13 2HB LEU 13 -0.618 -10.523 -11.854 77 HG LEU 13 HG LEU 13 1.347 -9.182 -10.499 78 HD11 LEU 13 1HD1 LEU 13 0.870 -8.717 -8.372 79 HD12 LEU 13 2HD1 LEU 13 -0.842 -8.847 -8.844 80 HD13 LEU 13 3HD1 LEU 13 -0.005 -10.252 -8.141 81 HD21 LEU 13 3HD2 LEU 13 1.765 -11.394 -9.371 82 HD22 LEU 13 1HD2 LEU 13 0.228 -11.960 -10.068 83 HD23 LEU 13 2HD2 LEU 13 1.560 -11.462 -11.138 84 H ILE 14 H ILE 14 0.606 -6.945 -10.246 85 HA ILE 14 HA ILE 14 -1.503 -5.733 -8.989 86 HB ILE 14 HB ILE 14 1.360 -5.483 -9.108 87 HG13 ILE 14 2HG1 ILE 14 -0.529 -6.051 -7.239 88 HG21 ILE 14 1HG2 ILE 14 1.044 -3.298 -10.062 89 HG22 ILE 14 2HG2 ILE 14 -0.183 -2.891 -8.840 90 HG23 ILE 14 3HG2 ILE 14 1.514 -3.120 -8.354 91 HD11 ILE 14 3HD1 ILE 14 1.569 -6.803 -6.643 92 HD12 ILE 14 1HD1 ILE 14 2.371 -5.312 -7.190 93 HD13 ILE 14 2HD1 ILE 14 1.534 -5.347 -5.620 94 H ALA 15 H ALA 15 0.149 -4.861 -12.046 95 HA ALA 15 HA ALA 15 -1.471 -2.463 -12.267 96 HB1 ALA 15 1HB ALA 15 1.093 -3.093 -13.019 97 HB2 ALA 15 2HB ALA 15 0.209 -3.334 -14.545 98 HB3 ALA 15 3HB ALA 15 0.134 -1.763 -13.712 99 H ARG 16 H ARG 16 -2.540 -5.360 -12.261 100 HA ARG 16 HA ARG 16 -3.827 -5.157 -14.866 101 HB3 ARG 16 2HB ARG 16 -4.179 -7.655 -14.694 102 HG3 ARG 16 2HG ARG 16 -1.231 -7.054 -14.273 103 HD3 ARG 16 2HD ARG 16 -2.815 -9.240 -15.370 104 HE ARG 16 HE ARG 16 -1.592 -7.614 -17.396 105 HH11 ARG 16 2HH2 ARG 16 -1.836 -11.005 -16.402 106 HH12 ARG 16 1HH2 ARG 16 -1.591 -11.622 -18.002 107 HH22 ARG 16 1HH ARG 16 -1.259 -10.087 -19.812 108 H GLY 17 H GLY 17 -4.124 -5.802 -11.352 109 HA2 GLY 17 1HA GLY 17 -6.535 -4.639 -10.925 110 HA3 GLY 17 2HA GLY 17 -6.970 -6.254 -11.450 111 H ALA 18 H ALA 18 -4.334 -7.366 -10.331 112 HA ALA 18 HA ALA 18 -5.235 -8.371 -7.978 113 HB1 ALA 18 1HB ALA 18 -2.318 -7.792 -8.115 114 HB2 ALA 18 2HB ALA 18 -3.169 -9.338 -7.879 115 HB3 ALA 18 3HB ALA 18 -3.006 -8.651 -9.513 116 H LYS 19 H LYS 19 -5.674 -7.570 -5.984 117 HA LYS 19 HA LYS 19 -4.724 -4.864 -5.427 118 HB3 LYS 19 2HB LYS 19 -6.599 -5.841 -3.486 119 HG3 LYS 19 2HG LYS 19 -6.464 -3.496 -3.931 120 HD3 LYS 19 2HD LYS 19 -6.503 -4.386 -6.813 121 HE3 LYS 19 2HE LYS 19 -6.795 -1.585 -6.864 122 HZ1 LYS 19 2HZ LYS 19 -7.693 -3.139 -8.496 123 HZ3 LYS 19 1HZ LYS 19 -8.895 -2.171 -7.979 124 H LEU 20 H LEU 20 -3.087 -4.521 -4.024 125 HA LEU 20 HA LEU 20 -2.198 -6.827 -2.471 126 HB3 LEU 20 2HB LEU 20 -0.906 -4.416 -3.634 127 HG LEU 20 HG LEU 20 0.260 -5.922 -1.277 128 HD11 LEU 20 1HD1 LEU 20 1.666 -3.719 -2.758 129 HD12 LEU 20 2HD1 LEU 20 2.335 -4.993 -1.709 130 HD13 LEU 20 3HD1 LEU 20 1.750 -5.398 -3.341 131 HD21 LEU 20 3HD2 LEU 20 -1.002 -3.270 -1.561 132 HD22 LEU 20 1HD2 LEU 20 -0.785 -4.301 -0.126 133 HD23 LEU 20 2HD2 LEU 20 0.557 -3.283 -0.701 134 H ILE 21 H ILE 21 -2.008 -6.784 -0.216 135 HA ILE 21 HA ILE 21 -3.372 -4.501 1.027 136 HB ILE 21 HB ILE 21 -3.095 -7.272 2.173 137 HG13 ILE 21 2HG1 ILE 21 -5.450 -7.631 1.381 138 HG21 ILE 21 1HG2 ILE 21 -5.141 -5.119 2.754 139 HG22 ILE 21 2HG2 ILE 21 -4.841 -6.625 3.654 140 HG23 ILE 21 3HG2 ILE 21 -3.629 -5.322 3.671 141 HD11 ILE 21 3HD1 ILE 21 -4.759 -5.120 -0.190 142 HD12 ILE 21 1HD1 ILE 21 -5.967 -6.292 -0.769 143 HD13 ILE 21 2HD1 ILE 21 -6.216 -5.447 0.778 144 H ASP 22 H ASP 22 -2.445 -3.492 2.840 145 HA ASP 22 HA ASP 22 0.379 -4.096 3.098 146 HB3 ASP 22 2HB ASP 22 0.393 -1.824 4.300 147 HD2 ASP 22 HD ASP 22 1.148 -2.108 0.817 148 H ILE 23 H ILE 23 -0.191 -6.016 4.516 149 HA ILE 23 HA ILE 23 -1.528 -5.471 6.996 150 HB ILE 23 HB ILE 23 -1.381 -7.765 7.395 151 HG13 ILE 23 2HG1 ILE 23 1.176 -7.557 6.094 152 HG21 ILE 23 1HG2 ILE 23 -1.979 -8.792 5.126 153 HG22 ILE 23 2HG2 ILE 23 -2.971 -7.434 5.708 154 HG23 ILE 23 3HG2 ILE 23 -1.730 -7.160 4.461 155 HD11 ILE 23 3HD1 ILE 23 1.367 -8.677 8.086 156 HD12 ILE 23 1HD1 ILE 23 -0.300 -9.298 8.007 157 HD13 ILE 23 2HD1 ILE 23 0.995 -10.108 7.093 158 H ARG 24 H ARG 24 0.353 -3.601 7.011 159 HA ARG 24 HA ARG 24 2.304 -4.721 8.847 160 HB3 ARG 24 2HB ARG 24 3.884 -4.241 7.250 161 HG3 ARG 24 2HG ARG 24 1.643 -2.632 6.026 162 HD3 ARG 24 2HD ARG 24 4.032 -2.480 4.389 163 HE ARG 24 HE ARG 24 2.030 -0.570 5.463 164 HH11 ARG 24 2HH2 ARG 24 4.721 -1.145 3.232 165 HH12 ARG 24 1HH2 ARG 24 4.374 0.244 2.257 166 HH22 ARG 24 1HH ARG 24 2.516 1.645 2.832 167 H ASP 25 H ASP 25 1.851 -1.363 7.573 168 HA ASP 25 HA ASP 25 0.394 -0.576 9.876 169 HB3 ASP 25 2HB ASP 25 2.723 1.177 9.748 170 HD2 ASP 25 HD ASP 25 3.702 0.997 12.324 171 H ALA 26 H ALA 26 0.881 2.225 9.746 172 HA ALA 26 HA ALA 26 0.245 2.794 6.932 173 HB1 ALA 26 1HB ALA 26 -1.331 4.361 7.656 174 HB2 ALA 26 2HB ALA 26 -1.506 3.072 8.871 175 HB3 ALA 26 3HB ALA 26 -0.573 4.538 9.256 176 H ASP 27 H ASP 27 2.034 3.765 9.889 177 HA ASP 27 HA ASP 27 3.020 6.124 9.305 178 HB3 ASP 27 2HB ASP 27 5.327 5.086 10.162 179 HD2 ASP 27 HD ASP 27 2.042 5.432 12.204 180 H GLU 28 H GLU 28 3.939 2.990 7.783 181 HA GLU 28 HA GLU 28 6.138 3.938 6.380 182 HB3 GLU 28 2HB GLU 28 5.995 1.868 5.123 183 HG3 GLU 28 2HG GLU 28 5.982 0.284 6.890 184 HE2 GLU 28 HE GLU 28 6.836 1.510 9.782 185 H TYR 29 H TYR 29 2.689 3.428 5.346 186 HA TYR 29 HA TYR 29 2.935 4.310 2.754 187 HB3 TYR 29 2HB TYR 29 0.768 4.568 4.925 188 HD1 TYR 29 2HD TYR 29 0.049 6.851 4.139 189 HD2 TYR 29 1HD TYR 29 -0.037 3.427 1.577 190 HE1 TYR 29 2HE TYR 29 -1.529 8.065 2.559 191 HE2 TYR 29 1HE TYR 29 -1.615 4.652 0.004 192 HH TYR 29 HH TYR 29 -2.229 6.857 -0.568 193 H LEU 30 H LEU 30 3.185 6.131 5.736 194 HA LEU 30 HA LEU 30 2.262 8.601 4.967 195 HB3 LEU 30 2HB LEU 30 4.752 8.374 6.596 196 HG LEU 30 HG LEU 30 3.404 9.744 8.205 197 HD11 LEU 30 1HD1 LEU 30 4.743 10.521 5.842 198 HD12 LEU 30 2HD1 LEU 30 3.314 11.572 5.993 199 HD13 LEU 30 3HD1 LEU 30 4.486 11.467 7.328 200 HD21 LEU 30 3HD2 LEU 30 1.476 10.198 5.925 201 HD22 LEU 30 1HD2 LEU 30 1.183 9.000 7.210 202 HD23 LEU 30 2HD2 LEU 30 1.345 10.725 7.620 203 H ARG 31 H ARG 31 5.812 7.921 5.116 204 HA ARG 31 HA ARG 31 6.288 9.897 3.196 205 HB3 ARG 31 2HB ARG 31 8.628 9.286 3.437 206 HG3 ARG 31 2HG ARG 31 7.095 9.938 5.602 207 HD3 ARG 31 2HD ARG 31 7.766 7.105 5.910 208 HE ARG 31 HE ARG 31 9.349 8.915 7.531 209 HH11 ARG 31 2HH2 ARG 31 7.530 5.878 7.676 210 HH12 ARG 31 1HH2 ARG 31 8.442 5.251 9.009 211 HH22 ARG 31 1HH ARG 31 10.213 6.569 9.943 212 H GLU 32 H GLU 32 6.832 6.289 3.139 213 HA GLU 32 HA GLU 32 6.871 6.448 0.250 214 HB3 GLU 32 2HB GLU 32 7.605 4.007 0.463 215 HG3 GLU 32 2HG GLU 32 9.047 6.425 0.960 216 HE2 GLU 32 HE GLU 32 10.558 6.859 2.931 217 H HIS 33 H HIS 33 5.964 3.894 -0.471 218 HA HIS 33 HA HIS 33 3.370 3.550 0.748 219 HB3 HIS 33 2HB HIS 33 2.287 3.635 -1.561 220 HD1 HIS 33 1HD HIS 33 0.465 5.176 -0.839 221 HD2 HIS 33 2HD HIS 33 4.259 6.905 -0.374 222 HE1 HIS 33 1HE HIS 33 0.070 7.556 -0.008 223 H ILE 34 H ILE 34 3.485 2.387 -2.468 224 HA ILE 34 HA ILE 34 5.172 0.244 -2.379 225 HB ILE 34 HB ILE 34 3.241 -0.103 -0.416 226 HG13 ILE 34 2HG1 ILE 34 5.132 -1.280 -0.006 227 HG21 ILE 34 1HG2 ILE 34 1.514 -0.597 -2.020 228 HG22 ILE 34 2HG2 ILE 34 2.556 -1.783 -2.841 229 HG23 ILE 34 3HG2 ILE 34 1.982 -2.098 -1.187 230 HD11 ILE 34 3HD1 ILE 34 3.351 -2.979 0.165 231 HD12 ILE 34 1HD1 ILE 34 3.509 -3.340 -1.571 232 HD13 ILE 34 2HD1 ILE 34 4.844 -3.721 -0.456 233 HA PRO 35 HA PRO 35 3.372 -0.265 -6.272 234 HB3 PRO 35 2HB PRO 35 4.964 -1.778 -6.964 235 HG3 PRO 35 2HG PRO 35 5.951 -2.983 -5.263 236 HD3 PRO 35 2HD PRO 35 5.614 -1.549 -3.498 237 H GLU 36 H GLU 36 1.304 0.395 -5.091 238 HA GLU 36 HA GLU 36 -0.879 0.203 -5.461 239 HB3 GLU 36 2HB GLU 36 -0.890 -2.767 -5.914 240 HG3 GLU 36 2HG GLU 36 -2.157 -1.069 -7.918 241 HE2 GLU 36 HE GLU 36 -2.929 -2.699 -4.939 242 H ALA 37 H ALA 37 -1.654 0.573 -3.420 243 HA ALA 37 HA ALA 37 -2.215 -1.712 -1.768 244 HB1 ALA 37 1HB ALA 37 -0.133 0.359 -1.025 245 HB2 ALA 37 2HB ALA 37 -1.042 -0.535 0.216 246 HB3 ALA 37 3HB ALA 37 -0.019 -1.415 -0.944 247 H ASP 38 H ASP 38 -3.657 -1.099 0.058 248 HA ASP 38 HA ASP 38 -4.861 1.511 -0.417 249 HB3 ASP 38 2HB ASP 38 -6.733 -0.496 0.625 250 HD2 ASP 38 HD ASP 38 -8.212 1.013 0.537 251 H LEU 39 H LEU 39 -2.889 0.105 1.597 252 HA LEU 39 HA LEU 39 -2.450 0.143 3.759 253 HB3 LEU 39 2HB LEU 39 -4.613 2.245 3.735 254 HG LEU 39 HG LEU 39 -4.486 1.746 6.031 255 HD11 LEU 39 1HD1 LEU 39 -1.470 1.659 5.986 256 HD12 LEU 39 2HD1 LEU 39 -2.589 1.103 7.254 257 HD13 LEU 39 3HD1 LEU 39 -2.467 0.210 5.719 258 HD21 LEU 39 3HD2 LEU 39 -4.191 4.124 5.519 259 HD22 LEU 39 1HD2 LEU 39 -3.345 3.664 7.016 260 HD23 LEU 39 2HD2 LEU 39 -2.424 3.907 5.512 261 H ALA 40 H ALA 40 -2.800 -1.557 5.076 262 HA ALA 40 HA ALA 40 -5.251 -2.002 6.348 263 HB1 ALA 40 1HB ALA 40 -5.047 -4.405 4.791 264 HB2 ALA 40 2HB ALA 40 -6.402 -3.253 4.882 265 HB3 ALA 40 3HB ALA 40 -5.114 -3.021 3.674 266 HA PRO 41 HA PRO 41 -1.616 -3.887 8.175 267 HB3 PRO 41 2HB PRO 41 -0.988 -2.091 9.474 268 HG3 PRO 41 2HG PRO 41 -2.536 -0.384 9.569 269 HD3 PRO 41 2HD PRO 41 -3.673 -0.754 7.605 270 H LEU 42 H LEU 42 -1.294 -5.441 10.014 271 HA LEU 42 HA LEU 42 -3.328 -7.340 9.841 272 HB3 LEU 42 2HB LEU 42 -1.408 -7.296 12.128 273 HG LEU 42 HG LEU 42 -2.717 -9.326 11.854 274 HD11 LEU 42 1HD1 LEU 42 -1.778 -10.497 9.488 275 HD12 LEU 42 2HD1 LEU 42 -3.426 -9.924 9.837 276 HD13 LEU 42 3HD1 LEU 42 -2.259 -8.841 9.041 277 HD21 LEU 42 3HD2 LEU 42 0.198 -9.566 11.087 278 HD22 LEU 42 1HD2 LEU 42 -0.530 -9.679 12.707 279 HD23 LEU 42 2HD2 LEU 42 -0.828 -10.958 11.506 280 H SER 43 H SER 43 -2.391 -5.163 12.598 281 HA SER 43 HA SER 43 -4.236 -5.873 14.376 282 HB3 SER 43 2HB SER 43 -4.295 -3.092 14.595 283 HG SER 43 HG SER 43 -3.261 -3.688 16.361 284 H VAL 44 H VAL 44 -4.785 -4.310 11.270 285 HA VAL 44 HA VAL 44 -7.498 -3.563 12.000 286 HB VAL 44 HB VAL 44 -5.833 -3.184 9.506 287 HG11 VAL 44 1HG1 VAL 44 -8.316 -3.451 9.081 288 HG12 VAL 44 2HG1 VAL 44 -8.559 -1.981 10.056 289 HG13 VAL 44 3HG1 VAL 44 -7.606 -1.905 8.556 290 HG21 VAL 44 3HG2 VAL 44 -5.653 -0.894 10.145 291 HG22 VAL 44 1HG2 VAL 44 -6.847 -1.092 11.450 292 HG23 VAL 44 2HG2 VAL 44 -5.247 -1.858 11.585 293 H LEU 45 H LEU 45 -5.652 -5.866 9.943 294 HA LEU 45 HA LEU 45 -7.856 -6.951 8.626 295 HB3 LEU 45 2HB LEU 45 -6.235 -8.977 8.483 296 HG LEU 45 HG LEU 45 -4.531 -7.174 7.229 297 HD11 LEU 45 1HD1 LEU 45 -6.969 -8.666 6.240 298 HD12 LEU 45 2HD1 LEU 45 -5.827 -7.822 5.166 299 HD13 LEU 45 3HD1 LEU 45 -5.264 -9.173 6.178 300 HD21 LEU 45 3HD2 LEU 45 -5.880 -5.511 6.150 301 HD22 LEU 45 1HD2 LEU 45 -7.356 -6.121 6.937 302 HD23 LEU 45 2HD2 LEU 45 -6.085 -5.344 7.911 303 H GLU 46 H GLU 46 -6.197 -7.891 11.702 304 HA GLU 46 HA GLU 46 -7.914 -10.055 12.150 305 HB3 GLU 46 2HB GLU 46 -6.943 -9.280 14.659 306 HG3 GLU 46 2HG GLU 46 -4.898 -10.757 13.279 307 HE2 GLU 46 HE GLU 46 -7.280 -13.168 14.570 308 H GLN 47 H GLN 47 -8.209 -6.594 12.591 309 HA GLN 47 HA GLN 47 -10.256 -6.858 14.575 310 HB3 GLN 47 2HB GLN 47 -10.332 -4.226 13.654 311 HG3 GLN 47 2HG GLN 47 -10.179 -4.867 16.020 312 HE21 GLN 47 1HE2 GLN 47 -7.138 -4.251 16.695 313 HE22 GLN 47 2HE2 GLN 47 -6.460 -5.830 16.916 314 H SER 48 H SER 48 -9.940 -6.659 11.073 315 HA SER 48 HA SER 48 -12.844 -6.706 10.930 316 HB3 SER 48 2HB SER 48 -12.914 -4.775 9.766 317 HG SER 48 HG SER 48 -10.911 -4.251 10.989 318 H GLY 49 H GLY 49 -9.944 -6.877 8.724 319 HA2 GLY 49 1HA GLY 49 -9.265 -9.131 8.020 320 HA3 GLY 49 2HA GLY 49 -10.964 -9.492 7.783 321 H LEU 50 H LEU 50 -10.003 -10.035 5.537 322 HA LEU 50 HA LEU 50 -9.078 -8.017 3.860 323 HB3 LEU 50 2HB LEU 50 -10.630 -10.474 3.049 324 HG LEU 50 HG LEU 50 -9.113 -10.569 1.148 325 HD11 LEU 50 1HD1 LEU 50 -11.266 -8.884 1.426 326 HD12 LEU 50 2HD1 LEU 50 -10.012 -7.804 0.769 327 HD13 LEU 50 3HD1 LEU 50 -10.452 -9.290 -0.105 328 HD21 LEU 50 3HD2 LEU 50 -7.839 -8.223 2.496 329 HD22 LEU 50 1HD2 LEU 50 -7.098 -9.628 1.692 330 HD23 LEU 50 2HD2 LEU 50 -7.808 -8.318 0.719 331 HA PRO 51 HA PRO 51 -12.812 -5.815 3.381 332 HB3 PRO 51 2HB PRO 51 -11.749 -3.786 3.621 333 HG3 PRO 51 2HG PRO 51 -9.456 -3.866 3.382 334 HD3 PRO 51 2HD PRO 51 -9.067 -6.069 3.912 335 H ALA 52 H ALA 52 -14.182 -4.835 1.569 336 HA ALA 52 HA ALA 52 -14.322 -6.903 -0.409 337 HB1 ALA 52 1HB ALA 52 -16.346 -5.971 0.600 338 HB2 ALA 52 2HB ALA 52 -15.908 -4.341 0.033 339 HB3 ALA 52 3HB ALA 52 -16.323 -5.611 -1.144 340 H LYS 53 H LYS 53 -13.936 -3.284 -0.512 341 HA LYS 53 HA LYS 53 -13.516 -2.915 -3.128 342 HB3 LYS 53 2HB LYS 53 -13.507 -0.997 -1.830 343 HG3 LYS 53 2HG LYS 53 -11.123 -1.241 -0.208 344 HD3 LYS 53 2HD LYS 53 -13.129 -1.233 1.594 345 HE3 LYS 53 2HE LYS 53 -12.066 0.942 -0.211 346 HZ1 LYS 53 2HZ LYS 53 -13.389 2.507 1.205 347 HZ3 LYS 53 1HZ LYS 53 -14.286 1.256 1.733 348 H LEU 54 H LEU 54 -11.020 -4.039 -0.755 349 HA LEU 54 HA LEU 54 -9.267 -4.621 -3.012 350 HB3 LEU 54 2HB LEU 54 -7.516 -4.807 -1.409 351 HG LEU 54 HG LEU 54 -7.247 -2.645 -0.911 352 HD11 LEU 54 1HD1 LEU 54 -10.008 -2.069 -1.963 353 HD12 LEU 54 2HD1 LEU 54 -8.496 -1.159 -2.194 354 HD13 LEU 54 3HD1 LEU 54 -8.732 -2.718 -3.022 355 HD21 LEU 54 3HD2 LEU 54 -8.316 -2.824 1.239 356 HD22 LEU 54 1HD2 LEU 54 -8.831 -1.309 0.460 357 HD23 LEU 54 2HD2 LEU 54 -9.929 -2.709 0.496 358 H ARG 55 H ARG 55 -11.482 -6.202 -3.142 359 HA ARG 55 HA ARG 55 -10.549 -8.690 -1.954 360 HB3 ARG 55 2HB ARG 55 -12.883 -7.780 -1.305 361 HG3 ARG 55 2HG ARG 55 -13.156 -7.643 -4.125 362 HD3 ARG 55 2HD ARG 55 -14.760 -9.924 -2.887 363 HE ARG 55 HE ARG 55 -16.471 -9.070 -4.235 364 HH11 ARG 55 2HH2 ARG 55 -13.387 -8.677 -5.934 365 HH12 ARG 55 1HH2 ARG 55 -14.125 -8.133 -7.404 366 HH22 ARG 55 1HH ARG 55 -16.510 -7.949 -7.522 367 H HIS 56 H HIS 56 -10.115 -7.068 -4.675 368 HA HIS 56 HA HIS 56 -11.183 -8.153 -6.827 369 HB3 HIS 56 2HB HIS 56 -8.219 -7.708 -6.370 370 HD1 HIS 56 1HD HIS 56 -7.062 -8.954 -8.228 371 HD2 HIS 56 2HD HIS 56 -10.550 -7.019 -9.525 372 HE1 HIS 56 1HE HIS 56 -7.128 -9.224 -10.765 373 H GLU 57 H GLU 57 -11.043 -10.036 -8.117 374 HA GLU 57 HA GLU 57 -11.076 -12.396 -6.936 375 HB3 GLU 57 2HB GLU 57 -9.797 -12.049 -9.675 376 HG3 GLU 57 2HG GLU 57 -11.908 -14.059 -8.840 377 HE2 GLU 57 HE GLU 57 -12.274 -14.397 -11.557 378 H GLN 58 H GLN 58 -8.175 -10.513 -7.716 379 HA GLN 58 HA GLN 58 -6.625 -12.635 -6.458 380 HB3 GLN 58 2HB GLN 58 -4.753 -12.183 -7.978 381 HG3 GLN 58 2HG GLN 58 -7.442 -12.952 -9.012 382 HE21 GLN 58 1HE2 GLN 58 -8.117 -11.725 -10.660 383 HE22 GLN 58 2HE2 GLN 58 -7.267 -11.477 -12.148 384 H ILE 59 H ILE 59 -5.208 -11.961 -4.841 385 HA ILE 59 HA ILE 59 -4.668 -9.109 -4.632 386 HB ILE 59 HB ILE 59 -5.841 -8.717 -2.799 387 HG13 ILE 59 2HG1 ILE 59 -4.248 -10.031 -1.446 388 HG21 ILE 59 1HG2 ILE 59 -7.846 -10.104 -2.452 389 HG22 ILE 59 2HG2 ILE 59 -7.548 -9.763 -4.173 390 HG23 ILE 59 3HG2 ILE 59 -7.147 -11.361 -3.500 391 HD11 ILE 59 3HD1 ILE 59 -7.078 -10.672 -0.539 392 HD12 ILE 59 1HD1 ILE 59 -5.660 -10.275 0.461 393 HD13 ILE 59 2HD1 ILE 59 -6.441 -9.009 -0.517 394 H ILE 60 H ILE 60 -2.984 -8.733 -2.820 395 HA ILE 60 HA ILE 60 -1.305 -11.099 -2.479 396 HB ILE 60 HB ILE 60 -0.345 -8.452 -3.573 397 HG13 ILE 60 2HG1 ILE 60 -1.397 -9.548 -5.364 398 HG21 ILE 60 1HG2 ILE 60 1.396 -10.869 -3.414 399 HG22 ILE 60 2HG2 ILE 60 1.815 -9.141 -3.344 400 HG23 ILE 60 3HG2 ILE 60 1.103 -9.943 -1.923 401 HD11 ILE 60 3HD1 ILE 60 1.562 -9.841 -5.174 402 HD12 ILE 60 1HD1 ILE 60 0.778 -10.839 -6.421 403 HD13 ILE 60 2HD1 ILE 60 0.573 -9.072 -6.437 404 H PHE 61 H PHE 61 0.070 -11.008 -0.611 405 HA PHE 61 HA PHE 61 -0.701 -8.848 1.224 406 HB3 PHE 61 2HB PHE 61 -0.093 -10.794 2.925 407 HD1 PHE 61 1HD PHE 61 -2.315 -9.014 2.678 408 HD2 PHE 61 2HD PHE 61 -2.089 -13.112 1.601 409 HE1 PHE 61 1HE PHE 61 -4.799 -9.227 2.970 410 HE2 PHE 61 2HE PHE 61 -4.573 -13.325 1.892 411 HZ PHE 61 HZ PHE 61 -5.898 -11.380 2.574 412 H HIS 62 H HIS 62 0.949 -7.579 1.933 413 HA HIS 62 HA HIS 62 3.631 -8.751 1.826 414 HB3 HIS 62 2HB HIS 62 2.789 -6.830 0.113 415 HD1 HIS 62 1HD HIS 62 1.399 -5.042 1.766 416 HD2 HIS 62 2HD HIS 62 5.587 -4.815 1.680 417 HE1 HIS 62 1HE HIS 62 2.008 -2.733 2.662 418 H CYS 63 H CYS 63 4.950 -6.497 3.014 419 HA CYS 63 HA CYS 63 3.635 -5.645 5.334 420 HB3 CYS 63 2HB CYS 63 3.748 -7.877 6.174 421 HG CYS 63 HG CYS 63 7.017 -7.777 5.835 422 H GLN 64 H GLN 64 5.777 -5.128 7.020 423 HA GLN 64 HA GLN 64 7.044 -3.067 5.817 424 HB3 GLN 64 2HB GLN 64 8.860 -3.881 7.779 425 HG3 GLN 64 2HG GLN 64 6.713 -2.604 9.127 426 HE21 GLN 64 1HE2 GLN 64 8.644 -1.211 6.510 427 HE22 GLN 64 2HE2 GLN 64 9.797 -0.375 7.494 428 H ALA 65 H ALA 65 9.184 -5.685 7.026 429 HA ALA 65 HA ALA 65 10.063 -6.658 4.587 430 HB1 ALA 65 1HB ALA 65 10.991 -3.986 5.138 431 HB2 ALA 65 2HB ALA 65 12.371 -5.107 5.217 432 HB3 ALA 65 3HB ALA 65 11.367 -5.034 3.749 433 H GLY 66 H GLY 66 9.445 -8.027 6.757 434 HA2 GLY 66 1HA GLY 66 12.010 -9.052 7.664 435 HA3 GLY 66 2HA GLY 66 10.977 -8.382 8.911 436 H LYS 67 H LYS 67 10.069 -10.176 5.895 437 HA LYS 67 HA LYS 67 8.586 -11.832 5.657 438 HB3 LYS 67 2HB LYS 67 9.404 -13.955 6.882 439 HG3 LYS 67 2HG LYS 67 11.416 -12.370 5.220 440 HD3 LYS 67 2HD LYS 67 12.037 -14.662 6.310 441 HE3 LYS 67 2HE LYS 67 10.328 -15.690 4.004 442 HZ1 LYS 67 2HZ LYS 67 11.397 -17.189 6.315 443 HZ3 LYS 67 1HZ LYS 67 12.311 -16.966 4.986 444 H ARG 68 H ARG 68 7.186 -10.090 7.007 445 HA ARG 68 HA ARG 68 6.458 -11.080 9.569 446 HB3 ARG 68 2HB ARG 68 4.517 -9.201 8.507 447 HG3 ARG 68 2HG ARG 68 5.592 -9.562 10.903 448 HD3 ARG 68 2HD ARG 68 7.610 -7.874 9.430 449 HE ARG 68 HE ARG 68 7.180 -6.236 11.087 450 HH11 ARG 68 2HH2 ARG 68 7.458 -9.441 12.571 451 HH12 ARG 68 1HH2 ARG 68 7.557 -8.821 14.185 452 HH22 ARG 68 1HH ARG 68 7.466 -6.453 14.542 453 H THR 69 H THR 69 5.017 -10.908 6.252 454 HA THR 69 HA THR 69 2.550 -12.077 6.952 455 HB THR 69 HB THR 69 2.515 -12.439 4.389 456 HG1 THR 69 1HG THR 69 4.724 -12.567 3.903 457 HG21 THR 69 3HG2 THR 69 2.733 -9.960 3.848 458 HG22 THR 69 1HG2 THR 69 1.661 -10.291 5.230 459 HG23 THR 69 2HG2 THR 69 3.317 -9.703 5.510 460 H SER 70 H SER 70 5.511 -13.513 5.424 461 HA SER 70 HA SER 70 4.581 -16.044 5.225 462 HB3 SER 70 2HB SER 70 6.683 -15.592 4.244 463 HG SER 70 HG SER 70 7.930 -14.120 5.154 464 H ASN 71 H ASN 71 5.611 -14.247 8.108 465 HA ASN 71 HA ASN 71 6.044 -16.455 9.746 466 HB3 ASN 71 2HB ASN 71 5.088 -14.328 11.379 467 HD21 ASN 71 1HD2 ASN 71 7.019 -13.047 12.258 468 HD22 ASN 71 2HD2 ASN 71 8.494 -13.926 12.487 469 H ASN 72 H ASN 72 3.185 -14.791 8.525 470 HA ASN 72 HA ASN 72 1.551 -16.617 10.060 471 HB3 ASN 72 2HB ASN 72 -0.009 -14.886 10.755 472 HD21 ASN 72 1HD2 ASN 72 1.820 -16.077 12.160 473 HD22 ASN 72 2HD2 ASN 72 2.775 -15.001 13.124 474 H ALA 73 H ALA 73 2.327 -16.895 7.367 475 HA ALA 73 HA ALA 73 0.536 -15.582 5.596 476 HB1 ALA 73 1HB ALA 73 1.632 -18.064 4.571 477 HB2 ALA 73 2HB ALA 73 2.014 -16.388 4.107 478 HB3 ALA 73 3HB ALA 73 2.884 -17.158 5.454 479 H ASP 74 H ASP 74 -0.094 -17.727 8.031 480 HA ASP 74 HA ASP 74 -1.790 -19.486 6.560 481 HB3 ASP 74 2HB ASP 74 -2.113 -19.224 9.519 482 HD2 ASP 74 HD ASP 74 -2.009 -22.684 9.675 483 H LYS 75 H LYS 75 -2.096 -16.811 9.009 484 HA LYS 75 HA LYS 75 -4.876 -16.782 9.116 485 HB3 LYS 75 2HB LYS 75 -3.645 -14.164 9.491 486 HG3 LYS 75 2HG LYS 75 -4.543 -14.492 11.767 487 HD3 LYS 75 2HD LYS 75 -6.164 -15.044 9.336 488 HE3 LYS 75 2HE LYS 75 -6.839 -16.819 11.168 489 HZ1 LYS 75 2HZ LYS 75 -7.211 -14.400 12.575 490 HZ3 LYS 75 1HZ LYS 75 -7.464 -15.916 13.111 491 H LEU 76 H LEU 76 -2.559 -14.881 7.076 492 HA LEU 76 HA LEU 76 -4.348 -13.298 5.771 493 HB3 LEU 76 2HB LEU 76 -2.684 -13.508 3.834 494 HG LEU 76 HG LEU 76 -0.701 -12.647 5.305 495 HD11 LEU 76 1HD1 LEU 76 -1.441 -10.773 4.382 496 HD12 LEU 76 2HD1 LEU 76 -3.087 -11.438 4.255 497 HD13 LEU 76 3HD1 LEU 76 -2.584 -10.589 5.734 498 HD21 LEU 76 3HD2 LEU 76 -2.971 -12.722 7.304 499 HD22 LEU 76 1HD2 LEU 76 -1.350 -13.447 7.449 500 HD23 LEU 76 2HD2 LEU 76 -1.539 -11.677 7.472 501 H ALA 77 H ALA 77 -3.689 -16.781 5.319 502 HA ALA 77 HA ALA 77 -5.031 -17.079 2.888 503 HB1 ALA 77 1HB ALA 77 -4.437 -19.244 3.180 504 HB2 ALA 77 2HB ALA 77 -3.572 -18.664 4.623 505 HB3 ALA 77 3HB ALA 77 -5.213 -19.335 4.779 506 H ALA 78 H ALA 78 -6.153 -17.423 6.321 507 HA ALA 78 HA ALA 78 -8.866 -17.802 5.416 508 HB1 ALA 78 1HB ALA 78 -9.339 -18.207 7.726 509 HB2 ALA 78 2HB ALA 78 -7.757 -18.958 7.405 510 HB3 ALA 78 3HB ALA 78 -7.844 -17.394 8.247 511 H ILE 79 H ILE 79 -7.357 -15.276 4.743 512 HA ILE 79 HA ILE 79 -9.185 -13.419 6.101 513 HB ILE 79 HB ILE 79 -6.270 -13.226 5.501 514 HG13 ILE 79 2HG1 ILE 79 -7.173 -13.767 7.773 515 HG21 ILE 79 1HG2 ILE 79 -6.476 -10.720 5.792 516 HG22 ILE 79 2HG2 ILE 79 -7.005 -11.376 4.223 517 HG23 ILE 79 3HG2 ILE 79 -8.211 -10.911 5.446 518 HD11 ILE 79 3HD1 ILE 79 -5.269 -12.810 8.532 519 HD12 ILE 79 1HD1 ILE 79 -5.162 -11.887 7.014 520 HD13 ILE 79 2HD1 ILE 79 -6.008 -11.195 8.418 521 H ALA 80 H ALA 80 -7.337 -14.223 3.104 522 HA ALA 80 HA ALA 80 -9.390 -12.722 1.625 523 HB1 ALA 80 1HB ALA 80 -6.412 -13.075 1.184 524 HB2 ALA 80 2HB ALA 80 -7.505 -12.600 -0.140 525 HB3 ALA 80 3HB ALA 80 -7.350 -11.566 1.302 526 H ALA 81 H ALA 81 -7.103 -15.536 1.561 527 HA ALA 81 HA ALA 81 -7.888 -16.810 -0.665 528 HB1 ALA 81 1HB ALA 81 -7.741 -18.670 1.589 529 HB2 ALA 81 2HB ALA 81 -6.619 -18.447 0.224 530 HB3 ALA 81 3HB ALA 81 -6.472 -17.423 1.673 531 HA PRO 82 HA PRO 82 -8.112 -19.190 -0.594 532 HB3 PRO 82 2HB PRO 82 -9.158 -21.234 -0.756 533 HG3 PRO 82 2HG PRO 82 -11.450 -21.166 -0.497 534 HD3 PRO 82 2HD PRO 82 -11.665 -19.230 0.725 535 H ALA 83 H ALA 83 -9.934 -16.767 -1.686 536 HA ALA 83 HA ALA 83 -9.732 -16.625 -4.357 537 HB1 ALA 83 1HB ALA 83 -10.447 -14.553 -3.868 538 HB2 ALA 83 2HB ALA 83 -10.026 -14.828 -2.161 539 HB3 ALA 83 3HB ALA 83 -8.830 -14.115 -3.269 540 H GLU 84 H GLU 84 -8.131 -15.485 -5.803 541 HA GLU 84 HA GLU 84 -5.688 -16.757 -5.626 542 HB3 GLU 84 2HB GLU 84 -5.056 -14.978 -7.440 543 HG3 GLU 84 2HG GLU 84 -6.431 -16.115 -9.114 544 HE2 GLU 84 HE GLU 84 -7.022 -18.732 -8.693 545 H ILE 85 H ILE 85 -4.560 -16.390 -3.686 546 HA ILE 85 HA ILE 85 -3.841 -13.590 -3.174 547 HB ILE 85 HB ILE 85 -4.426 -15.920 -1.427 548 HG13 ILE 85 2HG1 ILE 85 -4.790 -13.045 -0.682 549 HG21 ILE 85 1HG2 ILE 85 -2.483 -13.746 -0.602 550 HG22 ILE 85 2HG2 ILE 85 -3.129 -15.049 0.424 551 HG23 ILE 85 3HG2 ILE 85 -2.055 -15.441 -0.941 552 HD11 ILE 85 3HD1 ILE 85 -6.367 -14.579 -2.790 553 HD12 ILE 85 1HD1 ILE 85 -7.040 -13.197 -1.893 554 HD13 ILE 85 2HD1 ILE 85 -5.622 -12.970 -2.944 555 H PHE 86 H PHE 86 -1.600 -13.154 -2.527 556 HA PHE 86 HA PHE 86 0.319 -15.240 -2.988 557 HB3 PHE 86 2HB PHE 86 1.352 -14.094 -4.913 558 HD1 PHE 86 2HD PHE 86 0.462 -16.135 -5.935 559 HD2 PHE 86 1HD PHE 86 -1.942 -12.662 -5.520 560 HE1 PHE 86 2HE PHE 86 -1.179 -17.073 -7.586 561 HE2 PHE 86 1HE PHE 86 -3.583 -13.601 -7.172 562 HZ PHE 86 HZ PHE 86 -3.182 -15.795 -8.185 563 H LEU 87 H LEU 87 2.526 -14.559 -2.405 564 HA LEU 87 HA LEU 87 2.437 -12.208 -0.652 565 HB3 LEU 87 2HB LEU 87 4.450 -14.425 -0.458 566 HG LEU 87 HG LEU 87 4.602 -12.299 0.970 567 HD11 LEU 87 1HD1 LEU 87 1.987 -12.528 1.375 568 HD12 LEU 87 2HD1 LEU 87 2.541 -13.495 2.762 569 HD13 LEU 87 3HD1 LEU 87 3.074 -11.806 2.584 570 HD21 LEU 87 3HD2 LEU 87 5.821 -13.510 2.395 571 HD22 LEU 87 1HD2 LEU 87 4.420 -14.471 2.926 572 HD23 LEU 87 2HD2 LEU 87 5.297 -14.921 1.445 573 H LEU 88 H LEU 88 3.790 -10.503 -1.029 574 HA LEU 88 HA LEU 88 5.266 -10.569 -3.491 575 HB3 LEU 88 2HB LEU 88 5.580 -8.230 -1.764 576 HG LEU 88 HG LEU 88 4.491 -8.690 -4.546 577 HD11 LEU 88 1HD1 LEU 88 3.279 -6.836 -4.397 578 HD12 LEU 88 2HD1 LEU 88 3.865 -6.522 -2.747 579 HD13 LEU 88 3HD1 LEU 88 4.787 -5.924 -4.147 580 HD21 LEU 88 3HD2 LEU 88 6.828 -6.969 -3.721 581 HD22 LEU 88 1HD2 LEU 88 6.997 -8.712 -4.035 582 HD23 LEU 88 2HD2 LEU 88 6.430 -7.628 -5.327 583 H GLU 89 H GLU 89 6.424 -12.544 -2.158 584 HA GLU 89 HA GLU 89 8.171 -13.259 -1.019 585 HB3 GLU 89 2HB GLU 89 10.339 -11.884 -1.948 586 HG3 GLU 89 2HG GLU 89 10.187 -13.360 -3.990 587 HE2 GLU 89 HE GLU 89 11.691 -14.671 -3.082 588 H ASP 90 H ASP 90 9.822 -10.120 -1.277 589 HA ASP 90 HA ASP 90 10.022 -10.086 1.578 590 HB3 ASP 90 2HB ASP 90 11.367 -7.887 0.921 591 HD2 ASP 90 HD ASP 90 12.253 -9.480 2.448 592 H GLY 91 H GLY 91 9.040 -8.489 2.930 593 HA2 GLY 91 1HA GLY 91 6.652 -7.419 2.479 594 HA3 GLY 91 2HA GLY 91 7.853 -6.623 3.476 595 H ILE 92 H ILE 92 9.104 -4.855 2.634 596 HA ILE 92 HA ILE 92 7.904 -3.711 0.220 597 HB ILE 92 HB ILE 92 8.221 -2.666 2.734 598 HG13 ILE 92 2HG1 ILE 92 7.773 -0.445 1.507 599 HG21 ILE 92 1HG2 ILE 92 10.722 -2.560 2.167 600 HG22 ILE 92 2HG2 ILE 92 10.280 -1.240 1.058 601 HG23 ILE 92 3HG2 ILE 92 9.945 -1.089 2.799 602 HD11 ILE 92 3HD1 ILE 92 8.846 -1.618 -0.667 603 HD12 ILE 92 1HD1 ILE 92 7.167 -2.173 -0.876 604 HD13 ILE 92 2HD1 ILE 92 7.527 -0.431 -0.799 605 H ASP 93 H ASP 93 10.909 -4.858 1.730 606 HA ASP 93 HA ASP 93 12.725 -3.677 0.081 607 HB3 ASP 93 2HB ASP 93 12.849 -6.565 1.060 608 HD2 ASP 93 HD ASP 93 14.906 -3.660 0.591 609 H GLY 94 H GLY 94 10.387 -6.272 -0.491 610 HA2 GLY 94 1HA GLY 94 11.582 -7.594 -2.654 611 HA3 GLY 94 2HA GLY 94 9.870 -7.514 -2.291 612 H TRP 95 H TRP 95 9.092 -4.935 -2.610 613 HA TRP 95 HA TRP 95 8.938 -4.621 -5.350 614 HB3 TRP 95 2HB TRP 95 8.432 -2.782 -3.026 615 HD1 TRP 95 HD TRP 95 8.774 -0.271 -3.690 616 HE1 TRP 95 1HE TRP 95 8.252 1.316 -5.732 617 HE3 TRP 95 3HE TRP 95 7.087 -3.938 -6.783 618 HZ2 TRP 95 2HZ TRP 95 7.214 0.871 -8.353 619 HZ3 TRP 95 3HZ TRP 95 6.337 -3.276 -9.067 620 HH2 TRP 95 HH TRP 95 6.382 -0.967 -9.867 621 H LYS 96 H LYS 96 11.052 -2.990 -2.890 622 HA LYS 96 HA LYS 96 12.406 -1.421 -4.802 623 HB3 LYS 96 2HB LYS 96 13.707 -2.142 -2.216 624 HG3 LYS 96 2HG LYS 96 13.085 0.438 -3.729 625 HD3 LYS 96 2HD LYS 96 13.411 0.232 -0.988 626 HE3 LYS 96 2HE LYS 96 16.132 0.985 -2.147 627 HZ1 LYS 96 2HZ LYS 96 16.385 1.798 -0.083 628 HZ3 LYS 96 1HZ LYS 96 16.167 0.315 0.552 629 H LYS 97 H LYS 97 12.575 -4.780 -3.859 630 HA LYS 97 HA LYS 97 15.214 -5.375 -4.302 631 HB3 LYS 97 2HB LYS 97 13.064 -7.225 -5.276 632 HG3 LYS 97 2HG LYS 97 14.509 -8.702 -3.645 633 HD3 LYS 97 2HD LYS 97 14.889 -7.882 -6.427 634 HE3 LYS 97 2HE LYS 97 17.313 -8.207 -4.720 635 HZ1 LYS 97 2HZ LYS 97 18.014 -10.056 -5.760 636 HZ3 LYS 97 1HZ LYS 97 18.038 -9.244 -7.172 637 H ALA 98 H ALA 98 12.561 -4.810 -6.658 638 HA ALA 98 HA ALA 98 14.413 -5.319 -8.843 639 HB1 ALA 98 1HB ALA 98 11.884 -4.420 -9.777 640 HB2 ALA 98 2HB ALA 98 12.523 -6.082 -9.783 641 HB3 ALA 98 3HB ALA 98 11.564 -5.502 -8.400 642 H GLY 99 H GLY 99 14.532 -2.980 -6.822 643 HA2 GLY 99 1HA GLY 99 14.857 -0.751 -6.839 644 HA3 GLY 99 2HA GLY 99 15.556 -1.027 -8.421 645 H LEU 100 H LEU 100 12.229 -0.928 -6.940 646 HA LEU 100 HA LEU 100 11.442 0.739 -9.230 647 HB3 LEU 100 2HB LEU 100 9.268 -0.244 -9.155 648 HG LEU 100 HG LEU 100 11.580 -2.057 -9.425 649 HD11 LEU 100 1HD1 LEU 100 8.960 -3.055 -8.427 650 HD12 LEU 100 2HD1 LEU 100 9.740 -3.970 -9.739 651 HD13 LEU 100 3HD1 LEU 100 10.603 -3.703 -8.205 652 HD21 LEU 100 3HD2 LEU 100 10.946 -2.115 -11.579 653 HD22 LEU 100 1HD2 LEU 100 9.221 -2.314 -11.182 654 HD23 LEU 100 2HD2 LEU 100 9.965 -0.697 -11.135 655 HA PRO 101 HA PRO 101 10.566 3.666 -6.158 656 HB3 PRO 101 2HB PRO 101 11.093 5.404 -7.575 657 HG3 PRO 101 2HG PRO 101 11.071 4.859 -9.817 658 HD3 PRO 101 2HD PRO 101 11.433 2.591 -9.688 659 H VAL 102 H VAL 102 9.110 3.831 -4.564 660 HA VAL 102 HA VAL 102 6.579 2.598 -5.102 661 HB VAL 102 HB VAL 102 6.193 3.107 -2.694 662 HG11 VAL 102 1HG1 VAL 102 8.792 1.696 -3.394 663 HG12 VAL 102 2HG1 VAL 102 7.917 1.536 -1.851 664 HG13 VAL 102 3HG1 VAL 102 7.164 0.977 -3.365 665 HG21 VAL 102 3HG2 VAL 102 9.003 3.809 -2.179 666 HG22 VAL 102 1HG2 VAL 102 8.089 5.076 -3.032 667 HG23 VAL 102 2HG2 VAL 102 7.507 4.458 -1.466 668 H ALA 103 H ALA 103 4.698 3.997 -3.714 669 HA ALA 103 HA ALA 103 4.241 6.205 -5.489 670 HB1 ALA 103 1HB ALA 103 2.630 4.356 -4.361 671 HB2 ALA 103 2HB ALA 103 2.454 5.658 -3.160 672 HB3 ALA 103 3HB ALA 103 2.049 5.961 -4.866 673 H VAL 104 H VAL 104 6.515 6.942 -4.297 674 HA VAL 104 HA VAL 104 5.999 8.333 -1.837 675 HB VAL 104 HB VAL 104 8.366 9.162 -2.302 676 HG11 VAL 104 1HG1 VAL 104 7.438 6.426 -1.658 677 HG12 VAL 104 2HG1 VAL 104 9.159 6.566 -2.087 678 HG13 VAL 104 3HG1 VAL 104 8.496 7.529 -0.744 679 HG21 VAL 104 3HG2 VAL 104 8.589 6.922 -4.284 680 HG22 VAL 104 1HG2 VAL 104 8.023 8.515 -4.838 681 HG23 VAL 104 2HG2 VAL 104 9.616 8.358 -4.064 682 H ASN 105 H ASN 105 6.256 10.688 -1.590 683 HA ASN 105 HA ASN 105 4.845 12.000 -3.673 684 HB3 ASN 105 2HB ASN 105 5.914 13.862 -1.724 685 HD21 ASN 105 1HD2 ASN 105 3.368 12.278 -0.309 686 HD22 ASN 105 2HD2 ASN 105 2.029 13.137 -0.992 687 H LYS 106 H LYS 106 5.686 14.136 -4.618 688 HA LYS 106 HA LYS 106 8.492 14.646 -4.436 689 HB3 LYS 106 2HB LYS 106 8.461 12.698 -5.971 690 HG3 LYS 106 2HG LYS 106 6.171 13.901 -7.039 691 HD3 LYS 106 2HD LYS 106 8.208 15.257 -8.295 692 HE3 LYS 106 2HE LYS 106 7.652 12.692 -9.832 693 HZ1 LYS 106 2HZ LYS 106 9.042 14.830 -11.201 694 HZ3 LYS 106 1HZ LYS 106 7.447 15.102 -11.018 695 H SER 107 H SER 107 8.633 16.819 -4.432 696 HA SER 107 HA SER 107 6.484 18.234 -5.794 697 HB3 SER 107 2HB SER 107 7.572 20.173 -4.276 698 HG SER 107 HG SER 107 6.168 18.553 -2.551 699 H GLN 108 H GLN 108 6.972 19.747 -7.415 700 HA GLN 108 HA GLN 108 9.469 19.488 -8.633 701 HB3 GLN 108 2HB GLN 108 7.485 21.735 -9.149 702 HG3 GLN 108 2HG GLN 108 8.451 20.450 -11.510 703 HE21 GLN 108 1HE2 GLN 108 8.458 21.993 -12.958 704 HE22 GLN 108 2HE2 GLN 108 8.647 23.691 -12.677 Start of MODEL 10 1 H1 ALA 1 H ALA 1 2.491 -22.877 2.683 2 HA ALA 1 HA ALA 1 2.629 -20.331 2.432 3 HB1 ALA 1 1HB ALA 1 3.903 -22.546 1.022 4 HB2 ALA 1 2HB ALA 1 3.889 -21.067 0.031 5 HB3 ALA 1 3HB ALA 1 4.619 -21.043 1.655 6 H LEU 2 H LEU 2 1.784 -18.587 1.355 7 HA LEU 2 HA LEU 2 -0.553 -18.861 -0.087 8 HB3 LEU 2 2HB LEU 2 0.152 -16.451 -0.852 9 HG LEU 2 HG LEU 2 -0.408 -15.469 1.318 10 HD11 LEU 2 1HD1 LEU 2 -2.251 -17.820 1.066 11 HD12 LEU 2 2HD1 LEU 2 -2.622 -16.097 1.322 12 HD13 LEU 2 3HD1 LEU 2 -2.100 -16.667 -0.281 13 HD21 LEU 2 3HD2 LEU 2 -0.750 -16.787 3.306 14 HD22 LEU 2 1HD2 LEU 2 -0.341 -18.284 2.434 15 HD23 LEU 2 2HD2 LEU 2 0.907 -17.047 2.711 16 H THR 3 H THR 3 1.760 -16.960 -1.893 17 HA THR 3 HA THR 3 2.031 -19.082 -3.893 18 HB THR 3 HB THR 3 0.680 -16.370 -4.197 19 HG1 THR 3 1HG THR 3 -0.908 -17.906 -4.319 20 HG21 THR 3 3HG2 THR 3 2.041 -18.095 -6.320 21 HG22 THR 3 1HG2 THR 3 0.680 -17.016 -6.708 22 HG23 THR 3 2HG2 THR 3 2.200 -16.339 -6.079 23 H THR 4 H THR 4 3.566 -17.150 -1.800 24 HA THR 4 HA THR 4 5.379 -15.688 -2.056 25 HB THR 4 HB THR 4 7.317 -17.466 -2.406 26 HG1 THR 4 1HG THR 4 6.300 -19.638 -2.287 27 HG21 THR 4 3HG2 THR 4 5.544 -18.632 -0.347 28 HG22 THR 4 1HG2 THR 4 7.147 -17.884 -0.155 29 HG23 THR 4 2HG2 THR 4 5.688 -16.865 -0.194 30 H ILE 5 H ILE 5 5.114 -14.203 -3.717 31 HA ILE 5 HA ILE 5 5.990 -15.108 -6.357 32 HB ILE 5 HB ILE 5 3.797 -14.060 -6.214 33 HG13 ILE 5 2HG1 ILE 5 5.806 -13.514 -8.035 34 HG21 ILE 5 1HG2 ILE 5 3.608 -11.641 -5.687 35 HG22 ILE 5 2HG2 ILE 5 4.065 -12.642 -4.288 36 HG23 ILE 5 3HG2 ILE 5 5.296 -11.665 -5.123 37 HD11 ILE 5 3HD1 ILE 5 2.828 -13.184 -7.894 38 HD12 ILE 5 1HD1 ILE 5 3.667 -12.406 -9.257 39 HD13 ILE 5 2HD1 ILE 5 3.811 -14.162 -9.009 40 H SER 6 H SER 6 7.624 -13.930 -7.522 41 HA SER 6 HA SER 6 9.552 -12.821 -5.693 42 HB3 SER 6 2HB SER 6 10.541 -12.802 -8.375 43 HG SER 6 HG SER 6 10.899 -14.550 -6.104 44 HA PRO 7 HA PRO 7 8.986 -8.730 -7.061 45 HB3 PRO 7 2HB PRO 7 10.443 -7.890 -5.489 46 HG3 PRO 7 2HG PRO 7 12.029 -9.391 -4.746 47 HD3 PRO 7 2HD PRO 7 10.953 -11.374 -5.187 48 H HIS 8 H HIS 8 8.240 -9.340 -9.176 49 HA HIS 8 HA HIS 8 9.490 -7.897 -11.132 50 HB3 HIS 8 2HB HIS 8 10.604 -10.633 -10.821 51 HD1 HIS 8 1HD HIS 8 11.157 -8.604 -13.944 52 HD2 HIS 8 2HD HIS 8 9.315 -12.195 -12.801 53 HE1 HIS 8 1HE HIS 8 10.635 -9.858 -16.103 54 H ASP 9 H ASP 9 7.801 -11.024 -10.464 55 HA ASP 9 HA ASP 9 6.202 -10.720 -12.791 56 HB3 ASP 9 2HB ASP 9 4.926 -12.591 -11.157 57 HD2 ASP 9 HD ASP 9 4.501 -13.296 -13.252 58 H ALA 10 H ALA 10 6.138 -9.797 -9.385 59 HA ALA 10 HA ALA 10 3.327 -9.542 -9.124 60 HB1 ALA 10 1HB ALA 10 4.700 -9.827 -7.165 61 HB2 ALA 10 2HB ALA 10 5.706 -8.422 -7.595 62 HB3 ALA 10 3HB ALA 10 4.013 -8.187 -7.095 63 H GLN 11 H GLN 11 6.039 -7.324 -9.997 64 HA GLN 11 HA GLN 11 4.665 -4.985 -9.989 65 HB3 GLN 11 2HB GLN 11 6.838 -5.899 -11.925 66 HG3 GLN 11 2HG GLN 11 6.880 -3.083 -11.203 67 HE21 GLN 11 1HE2 GLN 11 8.770 -4.181 -12.394 68 HE22 GLN 11 2HE2 GLN 11 8.773 -4.047 -14.121 69 H GLU 12 H GLU 12 4.224 -7.749 -12.057 70 HA GLU 12 HA GLU 12 3.021 -6.203 -14.152 71 HB3 GLU 12 2HB GLU 12 2.466 -9.012 -14.426 72 HG3 GLU 12 2HG GLU 12 4.834 -7.929 -15.838 73 HE2 GLU 12 HE GLU 12 3.779 -10.462 -16.052 74 H LEU 13 H LEU 13 1.860 -9.053 -12.204 75 HA LEU 13 HA LEU 13 -0.777 -8.840 -12.687 76 HB3 LEU 13 2HB LEU 13 0.009 -10.676 -11.481 77 HG LEU 13 HG LEU 13 1.734 -9.041 -10.110 78 HD11 LEU 13 1HD1 LEU 13 0.073 -8.197 -8.593 79 HD12 LEU 13 2HD1 LEU 13 -0.474 -9.845 -8.198 80 HD13 LEU 13 3HD1 LEU 13 1.149 -9.303 -7.705 81 HD21 LEU 13 3HD2 LEU 13 0.853 -11.890 -9.657 82 HD22 LEU 13 1HD2 LEU 13 2.304 -11.279 -10.489 83 HD23 LEU 13 2HD2 LEU 13 2.173 -11.151 -8.719 84 H ILE 14 H ILE 14 1.126 -6.944 -10.276 85 HA ILE 14 HA ILE 14 -0.960 -5.644 -9.055 86 HB ILE 14 HB ILE 14 1.882 -5.435 -9.232 87 HG13 ILE 14 2HG1 ILE 14 0.043 -5.715 -7.286 88 HG21 ILE 14 1HG2 ILE 14 2.249 -3.075 -8.999 89 HG22 ILE 14 2HG2 ILE 14 1.397 -3.366 -10.534 90 HG23 ILE 14 3HG2 ILE 14 0.506 -2.739 -9.125 91 HD11 ILE 14 3HD1 ILE 14 1.990 -4.876 -5.723 92 HD12 ILE 14 1HD1 ILE 14 2.269 -6.290 -6.767 93 HD13 ILE 14 2HD1 ILE 14 2.894 -4.694 -7.245 94 H ALA 15 H ALA 15 0.614 -5.017 -12.217 95 HA ALA 15 HA ALA 15 -1.069 -2.684 -12.607 96 HB1 ALA 15 1HB ALA 15 0.841 -3.904 -14.614 97 HB2 ALA 15 2HB ALA 15 0.340 -2.206 -14.435 98 HB3 ALA 15 3HB ALA 15 1.438 -2.939 -13.243 99 H ARG 16 H ARG 16 -1.916 -5.714 -12.429 100 HA ARG 16 HA ARG 16 -3.278 -5.722 -15.001 101 HB3 ARG 16 2HB ARG 16 -3.563 -8.216 -14.577 102 HG3 ARG 16 2HG ARG 16 -0.614 -7.649 -14.320 103 HD3 ARG 16 2HD ARG 16 -2.411 -9.608 -15.613 104 HE ARG 16 HE ARG 16 -0.619 -8.076 -17.341 105 HH11 ARG 16 2HH2 ARG 16 -2.044 -11.275 -16.799 106 HH12 ARG 16 1HH2 ARG 16 -1.862 -11.772 -18.448 107 HH22 ARG 16 1HH ARG 16 -0.880 -10.261 -20.028 108 H GLY 17 H GLY 17 -3.541 -5.849 -11.463 109 HA2 GLY 17 1HA GLY 17 -5.933 -4.798 -11.059 110 HA3 GLY 17 2HA GLY 17 -6.403 -6.416 -11.541 111 H ALA 18 H ALA 18 -3.656 -7.387 -10.361 112 HA ALA 18 HA ALA 18 -4.495 -8.525 -8.091 113 HB1 ALA 18 1HB ALA 18 -2.086 -8.219 -9.443 114 HB2 ALA 18 2HB ALA 18 -1.740 -7.529 -7.840 115 HB3 ALA 18 3HB ALA 18 -2.342 -9.198 -7.979 116 H LYS 19 H LYS 19 -5.202 -7.882 -6.115 117 HA LYS 19 HA LYS 19 -4.745 -5.076 -5.421 118 HB3 LYS 19 2HB LYS 19 -6.637 -6.092 -3.665 119 HG3 LYS 19 2HG LYS 19 -8.250 -4.836 -5.125 120 HD3 LYS 19 2HD LYS 19 -5.548 -3.690 -4.403 121 HE3 LYS 19 2HE LYS 19 -6.164 -1.484 -5.162 122 HZ1 LYS 19 2HZ LYS 19 -7.025 -3.082 -7.474 123 HZ3 LYS 19 1HZ LYS 19 -5.506 -3.282 -6.924 124 H LEU 20 H LEU 20 -2.937 -4.804 -4.214 125 HA LEU 20 HA LEU 20 -2.224 -6.928 -2.350 126 HB3 LEU 20 2HB LEU 20 -0.783 -4.677 -3.681 127 HG LEU 20 HG LEU 20 -0.212 -4.573 -1.200 128 HD11 LEU 20 1HD1 LEU 20 -0.213 -7.293 -1.315 129 HD12 LEU 20 2HD1 LEU 20 1.527 -6.941 -1.442 130 HD13 LEU 20 3HD1 LEU 20 0.594 -6.328 -0.056 131 HD21 LEU 20 3HD2 LEU 20 2.089 -4.196 -1.617 132 HD22 LEU 20 1HD2 LEU 20 2.108 -5.342 -2.979 133 HD23 LEU 20 2HD2 LEU 20 1.232 -3.799 -3.126 134 H ILE 21 H ILE 21 -1.778 -6.464 -0.098 135 HA ILE 21 HA ILE 21 -3.144 -4.029 0.821 136 HB ILE 21 HB ILE 21 -3.143 -6.610 2.354 137 HG13 ILE 21 2HG1 ILE 21 -5.365 -7.110 1.415 138 HG21 ILE 21 1HG2 ILE 21 -5.298 -5.538 3.214 139 HG22 ILE 21 2HG2 ILE 21 -3.757 -4.797 3.712 140 HG23 ILE 21 3HG2 ILE 21 -4.732 -4.046 2.426 141 HD11 ILE 21 3HD1 ILE 21 -6.458 -5.617 0.117 142 HD12 ILE 21 1HD1 ILE 21 -5.094 -4.485 0.294 143 HD13 ILE 21 2HD1 ILE 21 -5.120 -5.643 -1.058 144 H ASP 22 H ASP 22 -2.416 -3.380 3.090 145 HA ASP 22 HA ASP 22 0.428 -3.987 3.310 146 HB3 ASP 22 2HB ASP 22 0.757 -1.714 4.170 147 HD2 ASP 22 HD ASP 22 -1.716 -0.409 2.538 148 H ILE 23 H ILE 23 -0.235 -5.779 4.805 149 HA ILE 23 HA ILE 23 -1.697 -5.074 7.173 150 HB ILE 23 HB ILE 23 -1.548 -7.369 7.732 151 HG13 ILE 23 2HG1 ILE 23 0.968 -7.261 6.362 152 HG21 ILE 23 1HG2 ILE 23 -2.690 -6.444 5.401 153 HG22 ILE 23 2HG2 ILE 23 -1.778 -7.874 4.858 154 HG23 ILE 23 3HG2 ILE 23 -2.985 -8.029 6.157 155 HD11 ILE 23 3HD1 ILE 23 1.088 -8.336 8.406 156 HD12 ILE 23 1HD1 ILE 23 -0.538 -9.043 8.247 157 HD13 ILE 23 2HD1 ILE 23 0.836 -9.765 7.375 158 H ARG 24 H ARG 24 0.067 -3.232 7.411 159 HA ARG 24 HA ARG 24 2.023 -4.355 9.243 160 HB3 ARG 24 2HB ARG 24 3.649 -3.692 7.776 161 HG3 ARG 24 2HG ARG 24 1.356 -2.234 6.446 162 HD3 ARG 24 2HD ARG 24 3.778 -2.004 4.881 163 HE ARG 24 HE ARG 24 1.662 -0.187 5.866 164 HH11 ARG 24 2HH2 ARG 24 4.542 -0.558 3.837 165 HH12 ARG 24 1HH2 ARG 24 4.201 0.846 2.881 166 HH22 ARG 24 1HH ARG 24 2.237 2.137 3.350 167 H ASP 25 H ASP 25 1.711 -0.926 8.232 168 HA ASP 25 HA ASP 25 0.177 -0.372 10.617 169 HB3 ASP 25 2HB ASP 25 2.037 1.720 10.562 170 HD2 ASP 25 HD ASP 25 3.627 -0.880 11.768 171 H ALA 26 H ALA 26 0.195 2.426 10.521 172 HA ALA 26 HA ALA 26 -0.847 2.929 7.826 173 HB1 ALA 26 1HB ALA 26 -2.454 3.138 9.682 174 HB2 ALA 26 2HB ALA 26 -1.384 4.310 10.487 175 HB3 ALA 26 3HB ALA 26 -2.145 4.722 8.932 176 H ASP 27 H ASP 27 1.033 4.464 10.529 177 HA ASP 27 HA ASP 27 1.779 6.740 9.460 178 HB3 ASP 27 2HB ASP 27 4.210 6.026 10.427 179 HD2 ASP 27 HD ASP 27 3.110 8.216 12.773 180 H GLU 28 H GLU 28 3.193 3.486 8.705 181 HA GLU 28 HA GLU 28 5.272 4.159 7.160 182 HB3 GLU 28 2HB GLU 28 5.016 1.993 6.068 183 HG3 GLU 28 2HG GLU 28 4.929 0.598 7.979 184 HE2 GLU 28 HE GLU 28 5.033 1.671 10.530 185 H TYR 29 H TYR 29 1.910 3.564 5.886 186 HA TYR 29 HA TYR 29 2.254 4.189 3.295 187 HB3 TYR 29 2HB TYR 29 0.094 4.990 5.337 188 HD1 TYR 29 1HD TYR 29 -0.193 3.689 1.857 189 HD2 TYR 29 2HD TYR 29 -0.935 6.961 4.512 190 HE1 TYR 29 1HE TYR 29 -1.599 4.828 0.072 191 HE2 TYR 29 2HE TYR 29 -2.339 8.089 2.718 192 HH TYR 29 HH TYR 29 -2.838 6.518 -0.434 193 H LEU 30 H LEU 30 2.484 6.405 6.040 194 HA LEU 30 HA LEU 30 1.996 8.792 4.677 195 HB3 LEU 30 2HB LEU 30 3.901 8.483 6.984 196 HG LEU 30 HG LEU 30 1.995 10.631 6.082 197 HD11 LEU 30 1HD1 LEU 30 2.147 9.693 8.747 198 HD12 LEU 30 2HD1 LEU 30 3.039 11.233 8.685 199 HD13 LEU 30 3HD1 LEU 30 1.347 11.161 8.134 200 HD21 LEU 30 3HD2 LEU 30 4.453 11.516 7.299 201 HD22 LEU 30 1HD2 LEU 30 4.790 10.310 6.033 202 HD23 LEU 30 2HD2 LEU 30 3.848 11.769 5.645 203 H ARG 31 H ARG 31 5.268 7.762 5.841 204 HA ARG 31 HA ARG 31 6.609 9.374 4.112 205 HB3 ARG 31 2HB ARG 31 8.432 7.370 4.455 206 HG3 ARG 31 2HG ARG 31 8.106 8.500 7.068 207 HD3 ARG 31 2HD ARG 31 10.101 8.279 5.169 208 HE ARG 31 HE ARG 31 8.921 10.790 4.603 209 HH11 ARG 31 2HH2 ARG 31 12.122 9.540 5.462 210 HH12 ARG 31 1HH2 ARG 31 12.974 10.805 4.641 211 HH22 ARG 31 1HH ARG 31 11.732 12.510 3.506 212 H GLU 32 H GLU 32 6.534 5.740 3.832 213 HA GLU 32 HA GLU 32 6.702 6.122 0.951 214 HB3 GLU 32 2HB GLU 32 7.508 3.710 0.961 215 HG3 GLU 32 2HG GLU 32 8.892 6.087 1.636 216 HE2 GLU 32 HE GLU 32 11.306 5.502 3.816 217 H HIS 33 H HIS 33 5.796 3.733 -0.054 218 HA HIS 33 HA HIS 33 3.213 3.241 1.182 219 HB3 HIS 33 2HB HIS 33 3.562 4.126 -1.696 220 HD1 HIS 33 1HD HIS 33 0.681 5.068 -2.064 221 HD2 HIS 33 2HD HIS 33 1.692 1.368 -0.365 222 HE1 HIS 33 1HE HIS 33 -1.359 3.563 -2.362 223 H ILE 34 H ILE 34 3.404 2.222 -2.083 224 HA ILE 34 HA ILE 34 5.099 0.086 -2.056 225 HB ILE 34 HB ILE 34 3.125 -0.356 -0.147 226 HG13 ILE 34 2HG1 ILE 34 5.025 -1.518 0.269 227 HG21 ILE 34 1HG2 ILE 34 1.593 -1.890 -0.891 228 HG22 ILE 34 2HG2 ILE 34 1.718 -0.835 -2.319 229 HG23 ILE 34 3HG2 ILE 34 2.589 -2.387 -2.279 230 HD11 ILE 34 3HD1 ILE 34 4.035 -3.775 -1.447 231 HD12 ILE 34 1HD1 ILE 34 4.558 -3.786 0.255 232 HD13 ILE 34 2HD1 ILE 34 2.942 -3.177 -0.176 233 HA PRO 35 HA PRO 35 3.359 -0.287 -5.993 234 HB3 PRO 35 2HB PRO 35 4.946 -1.794 -6.710 235 HG3 PRO 35 2HG PRO 35 5.890 -3.069 -5.035 236 HD3 PRO 35 2HD PRO 35 5.536 -1.693 -3.227 237 H GLU 36 H GLU 36 1.256 0.452 -5.283 238 HA GLU 36 HA GLU 36 -0.908 0.282 -5.397 239 HB3 GLU 36 2HB GLU 36 -1.480 -2.373 -6.307 240 HG3 GLU 36 2HG GLU 36 -2.559 -0.145 -6.953 241 HE2 GLU 36 HE GLU 36 -0.904 -0.541 -9.813 242 H ALA 37 H ALA 37 -1.604 0.323 -3.283 243 HA ALA 37 HA ALA 37 -2.349 -2.187 -2.104 244 HB1 ALA 37 1HB ALA 37 -0.324 -2.397 -1.065 245 HB2 ALA 37 2HB ALA 37 0.061 -0.666 -1.229 246 HB3 ALA 37 3HB ALA 37 -1.034 -1.217 0.063 247 H ASP 38 H ASP 38 -3.153 -1.491 0.352 248 HA ASP 38 HA ASP 38 -4.326 1.131 0.222 249 HB3 ASP 38 2HB ASP 38 -6.194 -1.152 0.858 250 HD2 ASP 38 HD ASP 38 -5.995 1.881 -0.996 251 H LEU 39 H LEU 39 -4.156 1.965 2.315 252 HA LEU 39 HA LEU 39 -2.981 0.765 4.391 253 HB3 LEU 39 2HB LEU 39 -5.246 2.760 4.529 254 HG LEU 39 HG LEU 39 -4.869 2.218 6.779 255 HD11 LEU 39 1HD1 LEU 39 -2.705 1.820 7.797 256 HD12 LEU 39 2HD1 LEU 39 -2.939 0.728 6.412 257 HD13 LEU 39 3HD1 LEU 39 -1.885 2.154 6.254 258 HD21 LEU 39 3HD2 LEU 39 -4.728 4.625 6.321 259 HD22 LEU 39 1HD2 LEU 39 -3.736 4.157 7.724 260 HD23 LEU 39 2HD2 LEU 39 -2.961 4.490 6.156 261 H ALA 40 H ALA 40 -3.328 -1.155 5.362 262 HA ALA 40 HA ALA 40 -5.830 -1.683 6.591 263 HB1 ALA 40 1HB ALA 40 -5.665 -2.437 3.893 264 HB2 ALA 40 2HB ALA 40 -5.339 -3.935 4.798 265 HB3 ALA 40 3HB ALA 40 -6.840 -3.026 5.093 266 HA PRO 41 HA PRO 41 -2.119 -3.569 8.360 267 HB3 PRO 41 2HB PRO 41 -1.307 -1.755 9.523 268 HG3 PRO 41 2HG PRO 41 -2.730 0.059 9.594 269 HD3 PRO 41 2HD PRO 41 -3.990 -0.337 7.711 270 H LEU 42 H LEU 42 -1.840 -5.309 9.827 271 HA LEU 42 HA LEU 42 -3.895 -7.018 9.972 272 HB3 LEU 42 2HB LEU 42 -2.033 -6.813 12.308 273 HG LEU 42 HG LEU 42 -3.411 -8.986 10.851 274 HD11 LEU 42 1HD1 LEU 42 -0.839 -9.095 10.317 275 HD12 LEU 42 2HD1 LEU 42 -0.736 -9.722 11.980 276 HD13 LEU 42 3HD1 LEU 42 -1.743 -10.559 10.774 277 HD21 LEU 42 3HD2 LEU 42 -4.069 -8.639 13.080 278 HD22 LEU 42 1HD2 LEU 42 -3.037 -10.089 13.122 279 HD23 LEU 42 2HD2 LEU 42 -2.388 -8.518 13.653 280 H SER 43 H SER 43 -3.021 -4.703 12.637 281 HA SER 43 HA SER 43 -4.859 -5.204 14.424 282 HB3 SER 43 2HB SER 43 -5.077 -2.397 14.176 283 HG SER 43 HG SER 43 -2.847 -3.730 15.427 284 H VAL 44 H VAL 44 -5.472 -3.825 11.193 285 HA VAL 44 HA VAL 44 -8.234 -3.262 11.817 286 HB VAL 44 HB VAL 44 -6.657 -3.133 9.238 287 HG11 VAL 44 1HG1 VAL 44 -9.166 -1.568 9.639 288 HG12 VAL 44 2HG1 VAL 44 -8.479 -2.280 8.159 289 HG13 VAL 44 3HG1 VAL 44 -9.329 -3.314 9.333 290 HG21 VAL 44 3HG2 VAL 44 -5.697 -1.534 10.674 291 HG22 VAL 44 1HG2 VAL 44 -6.878 -0.614 9.709 292 HG23 VAL 44 2HG2 VAL 44 -7.271 -1.090 11.379 293 H LEU 45 H LEU 45 -6.344 -5.531 9.707 294 HA LEU 45 HA LEU 45 -8.401 -6.917 8.606 295 HB3 LEU 45 2HB LEU 45 -6.765 -8.882 8.700 296 HG LEU 45 HG LEU 45 -4.908 -7.428 7.440 297 HD11 LEU 45 1HD1 LEU 45 -6.795 -7.479 5.476 298 HD12 LEU 45 2HD1 LEU 45 -5.831 -8.881 5.999 299 HD13 LEU 45 3HD1 LEU 45 -7.473 -8.641 6.641 300 HD21 LEU 45 3HD2 LEU 45 -6.131 -5.526 6.271 301 HD22 LEU 45 1HD2 LEU 45 -7.325 -5.626 7.587 302 HD23 LEU 45 2HD2 LEU 45 -5.626 -5.246 7.955 303 H GLU 46 H GLU 46 -7.004 -7.268 11.907 304 HA GLU 46 HA GLU 46 -8.579 -9.501 12.530 305 HB3 GLU 46 2HB GLU 46 -7.956 -8.334 14.969 306 HG3 GLU 46 2HG GLU 46 -5.596 -9.639 14.188 307 HE2 GLU 46 HE GLU 46 -5.883 -11.453 16.444 308 H GLN 47 H GLN 47 -9.072 -5.985 12.632 309 HA GLN 47 HA GLN 47 -11.344 -6.185 14.329 310 HB3 GLN 47 2HB GLN 47 -11.451 -3.695 13.034 311 HG3 GLN 47 2HG GLN 47 -9.621 -3.740 15.334 312 HE21 GLN 47 1HE2 GLN 47 -12.163 -3.502 16.990 313 HE22 GLN 47 2HE2 GLN 47 -12.769 -1.911 16.666 314 H SER 48 H SER 48 -10.655 -6.140 10.834 315 HA SER 48 HA SER 48 -13.501 -6.586 10.418 316 HB3 SER 48 2HB SER 48 -11.860 -5.118 8.346 317 HG SER 48 HG SER 48 -13.800 -5.072 7.460 318 H GLY 49 H GLY 49 -10.303 -6.582 8.663 319 HA2 GLY 49 1HA GLY 49 -9.258 -8.622 8.031 320 HA3 GLY 49 2HA GLY 49 -10.833 -9.378 7.886 321 H LEU 50 H LEU 50 -9.673 -9.928 5.699 322 HA LEU 50 HA LEU 50 -9.056 -8.238 3.735 323 HB3 LEU 50 2HB LEU 50 -10.369 -10.889 3.839 324 HG LEU 50 HG LEU 50 -10.249 -11.076 1.345 325 HD11 LEU 50 1HD1 LEU 50 -12.358 -10.406 2.956 326 HD12 LEU 50 2HD1 LEU 50 -12.438 -9.147 1.700 327 HD13 LEU 50 3HD1 LEU 50 -12.476 -10.866 1.240 328 HD21 LEU 50 3HD2 LEU 50 -8.932 -9.082 0.870 329 HD22 LEU 50 1HD2 LEU 50 -10.478 -9.045 -0.011 330 HD23 LEU 50 2HD2 LEU 50 -10.261 -8.047 1.447 331 HA PRO 51 HA PRO 51 -12.668 -5.797 3.364 332 HB3 PRO 51 2HB PRO 51 -11.485 -3.828 3.524 333 HG3 PRO 51 2HG PRO 51 -9.206 -4.048 3.242 334 HD3 PRO 51 2HD PRO 51 -8.934 -6.255 3.827 335 H ALA 52 H ALA 52 -13.735 -4.531 1.339 336 HA ALA 52 HA ALA 52 -14.070 -6.722 -0.552 337 HB1 ALA 52 1HB ALA 52 -15.653 -4.220 0.126 338 HB2 ALA 52 2HB ALA 52 -16.042 -5.257 -1.266 339 HB3 ALA 52 3HB ALA 52 -16.117 -5.919 0.385 340 H LYS 53 H LYS 53 -13.603 -3.114 -0.550 341 HA LYS 53 HA LYS 53 -13.268 -2.661 -3.170 342 HB3 LYS 53 2HB LYS 53 -13.139 -0.763 -1.892 343 HG3 LYS 53 2HG LYS 53 -11.545 -2.500 -0.056 344 HD3 LYS 53 2HD LYS 53 -10.203 -0.266 -0.831 345 HE3 LYS 53 2HE LYS 53 -11.428 0.800 1.678 346 HZ1 LYS 53 2HZ LYS 53 -11.193 2.621 -0.440 347 HZ3 LYS 53 1HZ LYS 53 -9.840 1.712 -0.452 348 H LEU 54 H LEU 54 -10.821 -4.082 -0.929 349 HA LEU 54 HA LEU 54 -9.109 -4.559 -3.249 350 HB3 LEU 54 2HB LEU 54 -7.330 -4.872 -1.718 351 HG LEU 54 HG LEU 54 -7.018 -2.746 -1.140 352 HD11 LEU 54 1HD1 LEU 54 -8.340 -1.182 -2.184 353 HD12 LEU 54 2HD1 LEU 54 -8.835 -2.669 -3.027 354 HD13 LEU 54 3HD1 LEU 54 -9.858 -1.996 -1.736 355 HD21 LEU 54 3HD2 LEU 54 -9.550 -2.802 0.525 356 HD22 LEU 54 1HD2 LEU 54 -7.925 -3.253 1.096 357 HD23 LEU 54 2HD2 LEU 54 -8.256 -1.580 0.587 358 H ARG 55 H ARG 55 -11.447 -6.027 -3.330 359 HA ARG 55 HA ARG 55 -10.445 -8.645 -2.544 360 HB3 ARG 55 2HB ARG 55 -12.528 -7.733 -1.267 361 HG3 ARG 55 2HG ARG 55 -13.459 -7.431 -3.945 362 HD3 ARG 55 2HD ARG 55 -14.752 -9.744 -2.441 363 HE ARG 55 HE ARG 55 -16.264 -7.732 -3.587 364 HH11 ARG 55 2HH2 ARG 55 -15.663 -11.114 -4.460 365 HH12 ARG 55 1HH2 ARG 55 -17.203 -11.319 -5.227 366 HH22 ARG 55 1HH ARG 55 -18.735 -9.477 -5.296 367 H HIS 56 H HIS 56 -10.392 -6.845 -5.090 368 HA HIS 56 HA HIS 56 -12.014 -7.476 -7.061 369 HB3 HIS 56 2HB HIS 56 -8.987 -7.545 -7.191 370 HD1 HIS 56 1HD HIS 56 -7.992 -7.150 -9.566 371 HD2 HIS 56 2HD HIS 56 -12.148 -7.719 -9.512 372 HE1 HIS 56 1HE HIS 56 -8.694 -7.529 -11.991 373 H GLU 57 H GLU 57 -9.150 -9.365 -7.722 374 HA GLU 57 HA GLU 57 -10.763 -11.779 -7.448 375 HB3 GLU 57 2HB GLU 57 -8.694 -11.437 -9.637 376 HG3 GLU 57 2HG GLU 57 -11.273 -12.942 -9.934 377 HE2 GLU 57 HE GLU 57 -10.918 -13.449 -12.026 378 H GLN 58 H GLN 58 -7.329 -10.930 -8.308 379 HA GLN 58 HA GLN 58 -6.536 -12.857 -6.275 380 HB3 GLN 58 2HB GLN 58 -4.245 -12.344 -7.715 381 HG3 GLN 58 2HG GLN 58 -6.421 -14.399 -7.822 382 HE21 GLN 58 1HE2 GLN 58 -4.583 -16.324 -8.936 383 HE22 GLN 58 2HE2 GLN 58 -4.581 -16.130 -10.657 384 H ILE 59 H ILE 59 -6.376 -11.683 -4.368 385 HA ILE 59 HA ILE 59 -5.161 -9.060 -4.451 386 HB ILE 59 HB ILE 59 -6.145 -8.689 -2.469 387 HG13 ILE 59 2HG1 ILE 59 -5.138 -11.384 -1.789 388 HG21 ILE 59 1HG2 ILE 59 -7.751 -9.990 -4.185 389 HG22 ILE 59 2HG2 ILE 59 -7.887 -11.072 -2.779 390 HG23 ILE 59 3HG2 ILE 59 -8.303 -9.350 -2.619 391 HD11 ILE 59 3HD1 ILE 59 -4.871 -8.630 -0.951 392 HD12 ILE 59 1HD1 ILE 59 -5.414 -9.607 0.435 393 HD13 ILE 59 2HD1 ILE 59 -3.923 -10.045 -0.432 394 H ILE 60 H ILE 60 -3.477 -8.612 -2.608 395 HA ILE 60 HA ILE 60 -1.689 -10.892 -2.292 396 HB ILE 60 HB ILE 60 -0.934 -8.267 -3.573 397 HG13 ILE 60 2HG1 ILE 60 -1.758 -9.593 -5.286 398 HG21 ILE 60 1HG2 ILE 60 1.368 -9.070 -3.577 399 HG22 ILE 60 2HG2 ILE 60 0.751 -8.914 -1.914 400 HG23 ILE 60 3HG2 ILE 60 0.879 -10.521 -2.668 401 HD11 ILE 60 3HD1 ILE 60 1.163 -10.435 -4.985 402 HD12 ILE 60 1HD1 ILE 60 0.204 -10.558 -6.479 403 HD13 ILE 60 2HD1 ILE 60 0.581 -8.960 -5.793 404 H PHE 61 H PHE 61 0.018 -10.439 -0.618 405 HA PHE 61 HA PHE 61 -0.916 -8.376 1.248 406 HB3 PHE 61 2HB PHE 61 0.093 -10.301 2.890 407 HD1 PHE 61 1HD PHE 61 -2.213 -8.394 2.710 408 HD2 PHE 61 2HD PHE 61 -2.056 -12.619 2.350 409 HE1 PHE 61 1HE PHE 61 -4.597 -8.548 3.480 410 HE2 PHE 61 2HE PHE 61 -4.440 -12.773 3.121 411 HZ PHE 61 HZ PHE 61 -5.681 -10.736 3.677 412 H HIS 62 H HIS 62 0.844 -7.962 3.012 413 HA HIS 62 HA HIS 62 3.485 -8.621 2.552 414 HB3 HIS 62 2HB HIS 62 2.584 -6.803 0.618 415 HD1 HIS 62 1HD HIS 62 5.726 -5.649 2.350 416 HD2 HIS 62 2HD HIS 62 1.852 -4.243 1.570 417 HE1 HIS 62 1HE HIS 62 5.736 -3.165 2.933 418 H CYS 63 H CYS 63 4.989 -7.103 3.870 419 HA CYS 63 HA CYS 63 3.722 -5.327 5.675 420 HB3 CYS 63 2HB CYS 63 4.507 -8.063 6.722 421 HG CYS 63 HG CYS 63 4.945 -5.212 7.865 422 H GLN 64 H GLN 64 6.279 -7.325 6.996 423 HA GLN 64 HA GLN 64 8.068 -5.249 7.106 424 HB3 GLN 64 2HB GLN 64 9.295 -7.944 7.033 425 HG3 GLN 64 2HG GLN 64 10.397 -6.065 8.159 426 HE21 GLN 64 1HE2 GLN 64 10.477 -4.646 10.010 427 HE22 GLN 64 2HE2 GLN 64 9.041 -3.857 10.572 428 H ALA 65 H ALA 65 10.576 -6.162 6.204 429 HA ALA 65 HA ALA 65 10.167 -6.103 3.293 430 HB1 ALA 65 1HB ALA 65 11.864 -4.564 3.120 431 HB2 ALA 65 2HB ALA 65 11.309 -4.159 4.762 432 HB3 ALA 65 3HB ALA 65 12.733 -5.202 4.537 433 H GLY 66 H GLY 66 9.942 -8.587 4.354 434 HA2 GLY 66 1HA GLY 66 12.132 -9.969 3.198 435 HA3 GLY 66 2HA GLY 66 12.245 -10.011 4.946 436 H LYS 67 H LYS 67 10.338 -10.834 6.202 437 HA LYS 67 HA LYS 67 8.752 -12.690 4.567 438 HB3 LYS 67 2HB LYS 67 8.830 -14.215 6.569 439 HG3 LYS 67 2HG LYS 67 11.359 -13.462 5.050 440 HD3 LYS 67 2HD LYS 67 11.259 -15.003 7.439 441 HE3 LYS 67 2HE LYS 67 10.323 -16.912 6.228 442 HZ1 LYS 67 2HZ LYS 67 10.734 -16.879 4.016 443 HZ3 LYS 67 1HZ LYS 67 12.153 -17.603 4.355 444 H ARG 68 H ARG 68 8.340 -12.476 8.045 445 HA ARG 68 HA ARG 68 6.804 -11.624 9.312 446 HB3 ARG 68 2HB ARG 68 5.458 -9.731 7.507 447 HG3 ARG 68 2HG ARG 68 5.615 -9.585 10.030 448 HD3 ARG 68 2HD ARG 68 8.033 -8.249 10.417 449 HE ARG 68 HE ARG 68 6.813 -10.605 11.412 450 HH11 ARG 68 2HH2 ARG 68 10.093 -9.357 10.922 451 HH12 ARG 68 1HH2 ARG 68 10.770 -10.272 12.227 452 HH22 ARG 68 1HH ARG 68 9.348 -11.709 13.513 453 H THR 69 H THR 69 5.516 -11.576 5.900 454 HA THR 69 HA THR 69 2.905 -12.320 6.604 455 HB THR 69 HB THR 69 2.975 -12.994 4.048 456 HG1 THR 69 1HG THR 69 5.146 -11.473 3.563 457 HG21 THR 69 3HG2 THR 69 3.827 -10.192 4.952 458 HG22 THR 69 1HG2 THR 69 3.201 -10.596 3.337 459 HG23 THR 69 2HG2 THR 69 2.150 -10.753 4.763 460 H SER 70 H SER 70 5.456 -14.377 5.036 461 HA SER 70 HA SER 70 4.081 -16.708 5.289 462 HB3 SER 70 2HB SER 70 6.292 -16.205 4.053 463 HG SER 70 HG SER 70 8.181 -16.963 5.295 464 H ASN 71 H ASN 71 5.572 -14.746 7.755 465 HA ASN 71 HA ASN 71 6.261 -16.697 9.579 466 HB3 ASN 71 2HB ASN 71 5.111 -14.224 10.757 467 HD21 ASN 71 1HD2 ASN 71 6.082 -13.957 12.615 468 HD22 ASN 71 2HD2 ASN 71 7.619 -14.596 13.095 469 H ASN 72 H ASN 72 3.167 -15.207 8.624 470 HA ASN 72 HA ASN 72 1.780 -17.176 10.151 471 HB3 ASN 72 2HB ASN 72 0.236 -15.314 11.138 472 HD21 ASN 72 1HD2 ASN 72 3.357 -14.115 11.928 473 HD22 ASN 72 2HD2 ASN 72 3.640 -15.023 13.376 474 H ALA 73 H ALA 73 2.067 -16.850 7.366 475 HA ALA 73 HA ALA 73 -0.073 -15.239 6.335 476 HB1 ALA 73 1HB ALA 73 0.817 -15.773 4.245 477 HB2 ALA 73 2HB ALA 73 2.254 -15.890 5.289 478 HB3 ALA 73 3HB ALA 73 1.399 -17.367 4.784 479 H ASP 74 H ASP 74 0.045 -18.139 8.022 480 HA ASP 74 HA ASP 74 -1.601 -19.761 6.498 481 HB3 ASP 74 2HB ASP 74 -2.042 -19.986 9.401 482 HD2 ASP 74 HD ASP 74 -1.259 -22.513 9.934 483 H LYS 75 H LYS 75 -2.282 -17.528 9.299 484 HA LYS 75 HA LYS 75 -5.089 -17.866 9.122 485 HB3 LYS 75 2HB LYS 75 -4.528 -15.465 10.480 486 HG3 LYS 75 2HG LYS 75 -4.988 -16.845 12.481 487 HD3 LYS 75 2HD LYS 75 -6.612 -16.972 10.019 488 HE3 LYS 75 2HE LYS 75 -6.349 -19.464 10.971 489 HZ1 LYS 75 2HZ LYS 75 -7.383 -19.818 12.926 490 HZ3 LYS 75 1HZ LYS 75 -8.693 -18.939 12.524 491 H LEU 76 H LEU 76 -2.854 -15.144 8.223 492 HA LEU 76 HA LEU 76 -4.710 -13.462 7.150 493 HB3 LEU 76 2HB LEU 76 -2.828 -12.648 5.720 494 HG LEU 76 HG LEU 76 -2.212 -13.145 8.642 495 HD11 LEU 76 1HD1 LEU 76 -0.709 -11.414 6.661 496 HD12 LEU 76 2HD1 LEU 76 -0.474 -11.407 8.426 497 HD13 LEU 76 3HD1 LEU 76 -0.103 -12.871 7.484 498 HD21 LEU 76 3HD2 LEU 76 -3.249 -11.192 9.121 499 HD22 LEU 76 1HD2 LEU 76 -2.798 -10.437 7.573 500 HD23 LEU 76 2HD2 LEU 76 -4.154 -11.588 7.640 501 H ALA 77 H ALA 77 -3.252 -16.413 5.727 502 HA ALA 77 HA ALA 77 -4.180 -16.030 3.124 503 HB1 ALA 77 1HB ALA 77 -2.528 -17.672 3.433 504 HB2 ALA 77 2HB ALA 77 -3.385 -18.414 4.806 505 HB3 ALA 77 3HB ALA 77 -4.001 -18.632 3.150 506 H ALA 78 H ALA 78 -5.678 -17.507 6.054 507 HA ALA 78 HA ALA 78 -7.993 -18.380 4.670 508 HB1 ALA 78 1HB ALA 78 -8.490 -19.333 6.671 509 HB2 ALA 78 2HB ALA 78 -6.826 -18.876 7.105 510 HB3 ALA 78 3HB ALA 78 -8.187 -17.828 7.574 511 H ILE 79 H ILE 79 -6.876 -15.330 6.041 512 HA ILE 79 HA ILE 79 -9.390 -14.157 6.460 513 HB ILE 79 HB ILE 79 -6.585 -13.381 6.456 514 HG13 ILE 79 2HG1 ILE 79 -8.426 -13.655 8.340 515 HG21 ILE 79 1HG2 ILE 79 -6.943 -11.827 4.775 516 HG22 ILE 79 2HG2 ILE 79 -8.619 -11.506 5.279 517 HG23 ILE 79 3HG2 ILE 79 -7.264 -10.884 6.250 518 HD11 ILE 79 3HD1 ILE 79 -7.069 -12.222 9.785 519 HD12 ILE 79 1HD1 ILE 79 -5.993 -13.062 8.643 520 HD13 ILE 79 2HD1 ILE 79 -6.419 -11.355 8.374 521 H ALA 80 H ALA 80 -7.031 -13.514 3.765 522 HA ALA 80 HA ALA 80 -9.240 -12.569 2.152 523 HB1 ALA 80 1HB ALA 80 -6.277 -12.788 1.495 524 HB2 ALA 80 2HB ALA 80 -7.498 -11.808 0.650 525 HB3 ALA 80 3HB ALA 80 -7.018 -11.393 2.314 526 H ALA 81 H ALA 81 -9.652 -15.237 2.794 527 HA ALA 81 HA ALA 81 -8.887 -16.599 0.300 528 HB1 ALA 81 1HB ALA 81 -8.007 -18.127 1.708 529 HB2 ALA 81 2HB ALA 81 -8.782 -17.381 3.126 530 HB3 ALA 81 3HB ALA 81 -9.685 -18.547 2.130 531 HA PRO 82 HA PRO 82 -9.550 -18.783 0.069 532 HB3 PRO 82 2HB PRO 82 -10.850 -20.570 -0.579 533 HG3 PRO 82 2HG PRO 82 -13.066 -20.059 -0.961 534 HD3 PRO 82 2HD PRO 82 -13.282 -18.175 0.340 535 H ALA 83 H ALA 83 -10.532 -16.007 -1.256 536 HA ALA 83 HA ALA 83 -9.590 -15.730 -3.718 537 HB1 ALA 83 1HB ALA 83 -9.799 -13.553 -3.189 538 HB2 ALA 83 2HB ALA 83 -10.081 -14.060 -1.505 539 HB3 ALA 83 3HB ALA 83 -8.437 -13.642 -2.045 540 H GLU 84 H GLU 84 -7.593 -15.473 -4.816 541 HA GLU 84 HA GLU 84 -5.504 -16.988 -3.649 542 HB3 GLU 84 2HB GLU 84 -4.336 -16.181 -5.883 543 HG3 GLU 84 2HG GLU 84 -6.016 -17.763 -7.172 544 HE2 GLU 84 HE GLU 84 -5.647 -20.386 -5.905 545 H ILE 85 H ILE 85 -3.889 -16.226 -2.356 546 HA ILE 85 HA ILE 85 -3.392 -13.335 -2.446 547 HB ILE 85 HB ILE 85 -3.543 -15.335 -0.269 548 HG13 ILE 85 2HG1 ILE 85 -4.029 -12.347 -0.249 549 HG21 ILE 85 1HG2 ILE 85 -1.135 -14.651 -0.300 550 HG22 ILE 85 2HG2 ILE 85 -1.666 -12.972 -0.034 551 HG23 ILE 85 3HG2 ILE 85 -2.014 -14.220 1.187 552 HD11 ILE 85 3HD1 ILE 85 -5.924 -14.653 -0.892 553 HD12 ILE 85 1HD1 ILE 85 -6.435 -12.980 -0.562 554 HD13 ILE 85 2HD1 ILE 85 -5.445 -13.341 -1.996 555 H PHE 86 H PHE 86 -1.043 -12.746 -1.855 556 HA PHE 86 HA PHE 86 0.844 -14.769 -2.736 557 HB3 PHE 86 2HB PHE 86 1.791 -13.016 -4.349 558 HD1 PHE 86 2HD PHE 86 -1.941 -13.032 -4.353 559 HD2 PHE 86 1HD PHE 86 1.628 -14.397 -6.197 560 HE1 PHE 86 2HE PHE 86 -3.292 -14.089 -6.186 561 HE2 PHE 86 1HE PHE 86 0.278 -15.454 -8.031 562 HZ PHE 86 HZ PHE 86 -2.166 -15.286 -8.003 563 H LEU 87 H LEU 87 3.000 -14.389 -2.007 564 HA LEU 87 HA LEU 87 3.138 -12.278 0.023 565 HB3 LEU 87 2HB LEU 87 5.268 -14.117 0.291 566 HG LEU 87 HG LEU 87 4.115 -12.974 2.172 567 HD11 LEU 87 1HD1 LEU 87 1.826 -14.537 1.151 568 HD12 LEU 87 2HD1 LEU 87 2.023 -14.530 2.920 569 HD13 LEU 87 3HD1 LEU 87 1.870 -12.993 2.036 570 HD21 LEU 87 3HD2 LEU 87 4.755 -15.861 2.077 571 HD22 LEU 87 1HD2 LEU 87 5.405 -14.566 3.110 572 HD23 LEU 87 2HD2 LEU 87 3.836 -15.311 3.498 573 H LEU 88 H LEU 88 3.831 -10.481 -1.111 574 HA LEU 88 HA LEU 88 5.553 -10.493 -3.254 575 HB3 LEU 88 2HB LEU 88 5.412 -8.309 -1.185 576 HG LEU 88 HG LEU 88 6.903 -7.778 -3.028 577 HD11 LEU 88 1HD1 LEU 88 4.637 -8.791 -4.720 578 HD12 LEU 88 2HD1 LEU 88 5.773 -7.580 -5.364 579 HD13 LEU 88 3HD1 LEU 88 6.378 -9.159 -4.806 580 HD21 LEU 88 3HD2 LEU 88 5.055 -5.998 -4.104 581 HD22 LEU 88 1HD2 LEU 88 4.434 -6.345 -2.472 582 HD23 LEU 88 2HD2 LEU 88 6.094 -5.736 -2.681 583 H GLU 89 H GLU 89 7.252 -12.000 -2.980 584 HA GLU 89 HA GLU 89 8.817 -12.478 -0.944 585 HB3 GLU 89 2HB GLU 89 9.688 -12.009 -3.824 586 HG3 GLU 89 2HG GLU 89 11.507 -12.096 -1.843 587 HE2 GLU 89 HE GLU 89 10.819 -15.968 -2.376 588 H ASP 90 H ASP 90 10.518 -11.566 0.252 589 HA ASP 90 HA ASP 90 11.800 -10.033 1.095 590 HB3 ASP 90 2HB ASP 90 12.344 -8.035 -0.725 591 HD2 ASP 90 HD ASP 90 13.897 -11.451 -1.454 592 H GLY 91 H GLY 91 8.753 -9.743 0.839 593 HA2 GLY 91 1HA GLY 91 7.108 -8.216 1.131 594 HA3 GLY 91 2HA GLY 91 8.226 -7.550 2.304 595 H ILE 92 H ILE 92 8.843 -5.447 2.036 596 HA ILE 92 HA ILE 92 8.066 -4.128 -0.402 597 HB ILE 92 HB ILE 92 8.226 -3.432 2.276 598 HG13 ILE 92 2HG1 ILE 92 7.309 -1.315 1.546 599 HG21 ILE 92 1HG2 ILE 92 10.191 -1.677 0.801 600 HG22 ILE 92 2HG2 ILE 92 9.788 -1.690 2.535 601 HG23 ILE 92 3HG2 ILE 92 10.700 -3.043 1.823 602 HD11 ILE 92 3HD1 ILE 92 8.978 -1.804 -0.783 603 HD12 ILE 92 1HD1 ILE 92 7.284 -1.580 -1.286 604 HD13 ILE 92 2HD1 ILE 92 8.102 -0.323 -0.327 605 H ASP 93 H ASP 93 11.012 -5.319 1.208 606 HA ASP 93 HA ASP 93 12.871 -3.873 -0.168 607 HB3 ASP 93 2HB ASP 93 12.972 -6.800 0.702 608 HD2 ASP 93 HD ASP 93 16.309 -4.771 -0.194 609 H GLY 94 H GLY 94 10.692 -6.443 -1.198 610 HA2 GLY 94 1HA GLY 94 12.210 -7.331 -3.464 611 HA3 GLY 94 2HA GLY 94 10.540 -7.697 -3.079 612 H TRP 95 H TRP 95 9.500 -5.012 -2.857 613 HA TRP 95 HA TRP 95 8.853 -4.503 -5.499 614 HB3 TRP 95 2HB TRP 95 8.659 -2.868 -2.980 615 HD1 TRP 95 HD TRP 95 8.361 -0.309 -3.348 616 HE1 TRP 95 1HE TRP 95 7.475 1.342 -5.207 617 HE3 TRP 95 3HE TRP 95 7.173 -3.916 -6.731 618 HZ2 TRP 95 2HZ TRP 95 6.401 0.963 -7.823 619 HZ3 TRP 95 3HZ TRP 95 6.211 -3.190 -8.913 620 HH2 TRP 95 HH TRP 95 5.822 -0.845 -9.483 621 H LYS 96 H LYS 96 11.457 -3.253 -3.360 622 HA LYS 96 HA LYS 96 12.328 -1.364 -5.346 623 HB3 LYS 96 2HB LYS 96 13.240 -2.156 -2.587 624 HG3 LYS 96 2HG LYS 96 14.788 -0.786 -4.762 625 HD3 LYS 96 2HD LYS 96 14.044 0.641 -2.391 626 HE3 LYS 96 2HE LYS 96 15.887 -0.766 -1.313 627 HZ1 LYS 96 2HZ LYS 96 18.120 -0.315 -2.002 628 HZ3 LYS 96 1HZ LYS 96 17.670 0.828 -3.071 629 H LYS 97 H LYS 97 12.943 -4.711 -4.409 630 HA LYS 97 HA LYS 97 15.471 -5.140 -5.280 631 HB3 LYS 97 2HB LYS 97 13.097 -6.960 -5.774 632 HG3 LYS 97 2HG LYS 97 15.799 -7.271 -6.466 633 HD3 LYS 97 2HD LYS 97 15.420 -9.225 -4.233 634 HE3 LYS 97 2HE LYS 97 17.449 -8.618 -6.022 635 HZ1 LYS 97 2HZ LYS 97 17.692 -6.817 -3.845 636 HZ3 LYS 97 1HZ LYS 97 18.653 -6.947 -5.155 637 H ALA 98 H ALA 98 12.473 -4.954 -7.297 638 HA ALA 98 HA ALA 98 13.916 -5.362 -9.715 639 HB1 ALA 98 1HB ALA 98 11.426 -4.079 -10.209 640 HB2 ALA 98 2HB ALA 98 11.807 -5.813 -10.339 641 HB3 ALA 98 3HB ALA 98 11.182 -5.151 -8.809 642 H GLY 99 H GLY 99 12.986 -2.586 -7.692 643 HA2 GLY 99 1HA GLY 99 14.323 -0.617 -7.819 644 HA3 GLY 99 2HA GLY 99 14.483 -0.846 -9.549 645 H LEU 100 H LEU 100 11.359 -1.471 -7.995 646 HA LEU 100 HA LEU 100 10.237 0.718 -9.527 647 HB3 LEU 100 2HB LEU 100 8.177 -0.325 -9.255 648 HG LEU 100 HG LEU 100 8.402 -2.371 -10.187 649 HD11 LEU 100 1HD1 LEU 100 10.394 -0.724 -10.910 650 HD12 LEU 100 2HD1 LEU 100 11.357 -2.102 -10.324 651 HD13 LEU 100 3HD1 LEU 100 10.158 -2.341 -11.617 652 HD21 LEU 100 3HD2 LEU 100 9.076 -3.287 -7.871 653 HD22 LEU 100 1HD2 LEU 100 9.529 -4.214 -9.321 654 HD23 LEU 100 2HD2 LEU 100 10.742 -3.212 -8.490 655 HA PRO 101 HA PRO 101 10.255 3.233 -5.973 656 HB3 PRO 101 2HB PRO 101 10.911 5.079 -7.183 657 HG3 PRO 101 2HG PRO 101 10.624 4.886 -9.464 658 HD3 PRO 101 2HD PRO 101 10.659 2.599 -9.688 659 H VAL 102 H VAL 102 8.946 3.708 -4.256 660 HA VAL 102 HA VAL 102 6.280 2.694 -4.589 661 HB VAL 102 HB VAL 102 6.121 2.980 -2.207 662 HG11 VAL 102 1HG1 VAL 102 7.188 0.986 -2.452 663 HG12 VAL 102 2HG1 VAL 102 8.518 1.686 -3.405 664 HG13 VAL 102 3HG1 VAL 102 8.504 1.861 -1.634 665 HG21 VAL 102 3HG2 VAL 102 7.395 4.347 -0.915 666 HG22 VAL 102 1HG2 VAL 102 8.869 4.065 -1.872 667 HG23 VAL 102 2HG2 VAL 102 7.632 5.203 -2.457 668 H ALA 103 H ALA 103 4.514 4.130 -3.297 669 HA ALA 103 HA ALA 103 4.295 6.504 -4.894 670 HB1 ALA 103 1HB ALA 103 2.053 6.572 -4.067 671 HB2 ALA 103 2HB ALA 103 2.434 4.851 -4.309 672 HB3 ALA 103 3HB ALA 103 2.460 5.545 -2.671 673 H VAL 104 H VAL 104 6.536 7.056 -3.630 674 HA VAL 104 HA VAL 104 6.061 8.219 -1.045 675 HB VAL 104 HB VAL 104 8.468 9.030 -1.490 676 HG11 VAL 104 1HG1 VAL 104 7.405 6.357 -0.862 677 HG12 VAL 104 2HG1 VAL 104 9.104 6.356 -1.395 678 HG13 VAL 104 3HG1 VAL 104 8.608 7.348 -0.002 679 HG21 VAL 104 3HG2 VAL 104 8.160 8.562 -4.021 680 HG22 VAL 104 1HG2 VAL 104 9.700 8.113 -3.251 681 HG23 VAL 104 2HG2 VAL 104 8.477 6.865 -3.591 682 H ASN 105 H ASN 105 4.379 9.758 -1.465 683 HA ASN 105 HA ASN 105 4.347 11.567 -3.472 684 HB3 ASN 105 2HB ASN 105 3.536 12.084 -0.563 685 HD21 ASN 105 1HD2 ASN 105 1.453 13.314 -0.549 686 HD22 ASN 105 2HD2 ASN 105 1.294 14.661 -1.625 687 H LYS 106 H LYS 106 5.489 12.183 -0.056 688 HA LYS 106 HA LYS 106 7.891 13.381 -0.805 689 HB3 LYS 106 2HB LYS 106 5.875 15.479 -0.003 690 HG3 LYS 106 2HG LYS 106 8.727 15.371 -0.995 691 HD3 LYS 106 2HD LYS 106 7.319 18.009 -1.110 692 HE3 LYS 106 2HE LYS 106 8.856 18.278 -3.075 693 HZ1 LYS 106 2HZ LYS 106 9.866 18.896 -1.056 694 HZ3 LYS 106 1HZ LYS 106 10.959 17.869 -1.690 695 H SER 107 H SER 107 5.290 14.226 1.594 696 HA SER 107 HA SER 107 5.260 14.169 3.763 697 HB3 SER 107 2HB SER 107 6.077 12.177 4.910 698 HG SER 107 HG SER 107 5.035 11.859 2.270 699 H GLN 108 H GLN 108 6.395 16.255 3.865 700 HA GLN 108 HA GLN 108 8.971 15.930 5.150 701 HB3 GLN 108 2HB GLN 108 8.499 18.050 3.014 702 HG3 GLN 108 2HG GLN 108 10.760 17.256 4.829 703 HE21 GLN 108 1HE2 GLN 108 12.882 18.235 4.251 704 HE22 GLN 108 2HE2 GLN 108 13.489 18.000 2.646
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