NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
518647 | 2lfd | 17749 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 -16.863 13.028 13.189 2 H2 MET 1 H2 MET 1 -16.880 11.610 12.257 3 H3 MET 1 H3 MET 1 -17.412 13.074 11.584 4 HA MET 1 HA MET 1 -15.199 13.999 11.800 5 HB2 MET 1 2HB MET 1 -14.517 11.195 12.714 6 HB3 MET 1 1HB MET 1 -13.326 12.404 12.252 7 HG2 MET 1 2HG MET 1 -14.164 13.865 14.057 8 HG3 MET 1 1HG MET 1 -15.258 12.575 14.554 9 HE1 MET 1 2HE MET 1 -14.405 10.196 15.495 10 HE2 MET 1 3HE MET 1 -12.695 9.771 15.616 11 HE3 MET 1 1HE MET 1 -13.436 10.003 14.034 12 H ASP 2 H ASP 2 -13.233 12.989 10.380 13 HA ASP 2 HA ASP 2 -14.583 12.365 7.868 14 HB2 ASP 2 2HB ASP 2 -12.360 13.076 6.864 15 HB3 ASP 2 1HB ASP 2 -13.288 14.324 7.679 16 H GLU 3 H GLU 3 -12.903 10.755 10.229 17 HA GLU 3 HA GLU 3 -12.346 8.569 10.433 18 HB2 GLU 3 2HB GLU 3 -13.295 8.368 7.576 19 HB3 GLU 3 1HB GLU 3 -12.780 6.993 8.540 20 HG2 GLU 3 2HG GLU 3 -14.559 7.569 10.183 21 HG3 GLU 3 1HG GLU 3 -15.126 8.802 9.060 22 H LEU 4 H LEU 4 -10.348 7.943 10.675 23 HA LEU 4 HA LEU 4 -8.496 8.087 8.394 24 HB2 LEU 4 2HB LEU 4 -8.204 10.063 9.874 25 HB3 LEU 4 1HB LEU 4 -7.841 8.987 11.207 26 HG LEU 4 HG LEU 4 -6.152 8.792 8.753 27 HD11 LEU 4 1HD1 LEU 4 -5.944 10.997 10.802 28 HD12 LEU 4 2HD1 LEU 4 -6.275 11.181 9.078 29 HD13 LEU 4 3HD1 LEU 4 -4.701 10.593 9.614 30 HD21 LEU 4 3HD2 LEU 4 -5.780 7.250 10.603 31 HD22 LEU 4 1HD2 LEU 4 -5.581 8.608 11.713 32 HD23 LEU 4 2HD2 LEU 4 -4.411 8.344 10.421 33 H ARG 5 H ARG 5 -9.644 6.424 11.199 34 HA ARG 5 HA ARG 5 -7.408 4.891 11.849 35 HB2 ARG 5 2HB ARG 5 -10.354 4.551 12.267 36 HB3 ARG 5 1HB ARG 5 -9.229 3.308 12.772 37 HG2 ARG 5 2HG ARG 5 -9.152 6.177 13.668 38 HG3 ARG 5 1HG ARG 5 -9.818 4.829 14.593 39 HD2 ARG 5 2HD ARG 5 -7.659 3.768 14.694 40 HD3 ARG 5 1HD ARG 5 -6.964 5.004 13.643 41 HE ARG 5 HE ARG 5 -7.793 6.515 15.647 42 HH11 ARG 5 1HH1 ARG 5 -6.199 3.406 15.772 43 HH12 ARG 5 2HH1 ARG 5 -5.367 3.742 17.260 44 HH21 ARG 5 1HH2 ARG 5 -6.678 6.979 17.585 45 HH22 ARG 5 2HH2 ARG 5 -5.619 5.782 18.274 46 H GLU 6 H GLU 6 -10.101 4.136 9.621 47 HA GLU 6 HA GLU 6 -9.066 1.554 9.001 48 HB2 GLU 6 2HB GLU 6 -11.095 3.294 7.616 49 HB3 GLU 6 1HB GLU 6 -10.634 1.705 7.020 50 HG2 GLU 6 2HG GLU 6 -11.282 0.786 9.257 51 HG3 GLU 6 1HG GLU 6 -11.960 2.369 9.632 52 H LEU 7 H LEU 7 -8.588 4.750 7.675 53 HA LEU 7 HA LEU 7 -7.281 4.045 5.299 54 HB2 LEU 7 2HB LEU 7 -7.234 6.449 7.087 55 HB3 LEU 7 1HB LEU 7 -6.145 6.347 5.731 56 HG LEU 7 HG LEU 7 -8.156 6.069 4.242 57 HD11 LEU 7 1HD1 LEU 7 -10.323 6.786 5.118 58 HD12 LEU 7 2HD1 LEU 7 -9.635 6.879 6.740 59 HD13 LEU 7 3HD1 LEU 7 -9.753 5.321 5.922 60 HD21 LEU 7 3HD2 LEU 7 -7.921 8.601 5.859 61 HD22 LEU 7 1HD2 LEU 7 -8.732 8.457 4.298 62 HD23 LEU 7 2HD2 LEU 7 -6.992 8.184 4.417 63 H LEU 8 H LEU 8 -6.057 4.738 8.548 64 HA LEU 8 HA LEU 8 -3.337 4.242 8.055 65 HB2 LEU 8 2HB LEU 8 -4.302 5.329 10.084 66 HB3 LEU 8 1HB LEU 8 -4.879 3.761 10.606 67 HG LEU 8 HG LEU 8 -2.513 2.968 10.672 68 HD11 LEU 8 1HD1 LEU 8 -0.727 4.641 10.658 69 HD12 LEU 8 2HD1 LEU 8 -1.896 5.883 10.206 70 HD13 LEU 8 3HD1 LEU 8 -1.551 4.553 9.099 71 HD21 LEU 8 3HD2 LEU 8 -1.956 4.124 12.746 72 HD22 LEU 8 1HD2 LEU 8 -3.669 3.711 12.690 73 HD23 LEU 8 2HD2 LEU 8 -3.152 5.369 12.381 74 H LYS 9 H LYS 9 -5.939 2.143 9.200 75 HA LYS 9 HA LYS 9 -4.458 -0.180 9.614 76 HB2 LYS 9 2HB LYS 9 -6.719 0.037 10.446 77 HB3 LYS 9 1HB LYS 9 -7.356 0.136 8.809 78 HG2 LYS 9 2HG LYS 9 -6.716 -2.152 8.379 79 HG3 LYS 9 1HG LYS 9 -5.949 -2.263 9.963 80 HD2 LYS 9 2HD LYS 9 -8.085 -2.001 11.060 81 HD3 LYS 9 1HD LYS 9 -8.884 -1.731 9.509 82 HE2 LYS 9 2HE LYS 9 -9.225 -4.020 10.333 83 HE3 LYS 9 1HE LYS 9 -8.344 -3.990 8.806 84 HZ1 LYS 9 3HZ LYS 9 -7.143 -4.350 11.504 85 HZ2 LYS 9 1HZ LYS 9 -6.277 -4.291 10.047 86 HZ3 LYS 9 2HZ LYS 9 -7.359 -5.563 10.340 87 H ALA 10 H ALA 10 -5.869 1.095 6.644 88 HA ALA 10 HA ALA 10 -5.529 -1.210 5.054 89 HB1 ALA 10 1HB ALA 10 -6.942 0.667 4.379 90 HB2 ALA 10 2HB ALA 10 -5.744 0.296 3.141 91 HB3 ALA 10 3HB ALA 10 -5.514 1.685 4.203 92 H GLU 11 H GLU 11 -3.428 1.609 5.565 93 HA GLU 11 HA GLU 11 -1.324 0.739 3.899 94 HB2 GLU 11 2HB GLU 11 -1.265 2.562 6.312 95 HB3 GLU 11 1HB GLU 11 0.057 2.365 5.170 96 HG2 GLU 11 2HG GLU 11 -2.685 3.378 4.453 97 HG3 GLU 11 1HG GLU 11 -1.292 4.401 4.797 98 H GLN 12 H GLN 12 -1.973 0.333 7.352 99 HA GLN 12 HA GLN 12 0.387 -1.013 8.051 100 HB2 GLN 12 2HB GLN 12 -2.393 -1.154 9.214 101 HB3 GLN 12 1HB GLN 12 -1.003 -1.953 9.936 102 HG2 GLN 12 2HG GLN 12 0.095 0.203 10.222 103 HG3 GLN 12 1HG GLN 12 -1.289 1.006 9.481 104 HE21 GLN 12 1HE2 GLN 12 -0.111 1.239 12.181 105 HE22 GLN 12 2HE2 GLN 12 -1.398 0.905 13.287 106 H GLN 13 H GLN 13 -2.669 -2.194 6.750 107 HA GLN 13 HA GLN 13 -2.193 -4.944 7.072 108 HB2 GLN 13 2HB GLN 13 -4.399 -3.936 6.523 109 HB3 GLN 13 1HB GLN 13 -3.806 -3.584 4.908 110 HG2 GLN 13 2HG GLN 13 -5.189 -5.565 4.897 111 HG3 GLN 13 1HG GLN 13 -3.525 -5.974 4.486 112 HE21 GLN 13 1HE2 GLN 13 -3.833 -8.130 5.079 113 HE22 GLN 13 2HE2 GLN 13 -3.949 -8.616 6.733 114 H GLY 14 H GLY 14 -1.517 -2.742 4.407 115 HA2 GLY 14 2HA GLY 14 -0.395 -4.684 2.677 116 HA3 GLY 14 1HA GLY 14 -0.135 -2.954 2.575 117 H ILE 15 H ILE 15 1.069 -2.480 5.049 118 HA ILE 15 HA ILE 15 3.751 -3.150 4.598 119 HB ILE 15 HB ILE 15 2.355 -2.305 7.146 120 HG12 ILE 15 2HG1 ILE 15 4.097 -0.790 5.187 121 HG13 ILE 15 1HG1 ILE 15 2.346 -0.663 5.316 122 HG21 ILE 15 1HG2 ILE 15 4.591 -1.766 8.032 123 HG22 ILE 15 2HG2 ILE 15 5.316 -2.544 6.626 124 HG23 ILE 15 3HG2 ILE 15 4.370 -3.497 7.771 125 HD11 ILE 15 3HD1 ILE 15 3.489 1.211 6.379 126 HD12 ILE 15 1HD1 ILE 15 4.313 0.093 7.462 127 HD13 ILE 15 2HD1 ILE 15 2.562 0.269 7.545 128 H LYS 16 H LYS 16 1.341 -4.635 6.729 129 HA LYS 16 HA LYS 16 2.946 -6.597 7.919 130 HB2 LYS 16 2HB LYS 16 0.558 -5.954 8.492 131 HB3 LYS 16 1HB LYS 16 0.062 -6.960 7.141 132 HG2 LYS 16 2HG LYS 16 -0.149 -8.265 9.089 133 HG3 LYS 16 1HG LYS 16 1.260 -8.864 8.224 134 HD2 LYS 16 2HD LYS 16 1.730 -8.732 10.601 135 HD3 LYS 16 1HD LYS 16 2.706 -7.550 9.726 136 HE2 LYS 16 2HE LYS 16 1.245 -5.768 10.373 137 HE3 LYS 16 1HE LYS 16 0.088 -6.904 11.067 138 HZ1 LYS 16 3HZ LYS 16 1.467 -5.795 12.745 139 HZ2 LYS 16 1HZ LYS 16 2.857 -6.490 12.066 140 HZ3 LYS 16 2HZ LYS 16 1.672 -7.478 12.761 141 H ILE 17 H ILE 17 0.963 -6.701 5.005 142 HA ILE 17 HA ILE 17 1.566 -9.344 4.226 143 HB ILE 17 HB ILE 17 0.720 -6.949 2.566 144 HG12 ILE 17 2HG1 ILE 17 -0.883 -9.304 3.592 145 HG13 ILE 17 1HG1 ILE 17 -0.852 -7.714 4.348 146 HG21 ILE 17 1HG2 ILE 17 0.789 -9.877 1.804 147 HG22 ILE 17 2HG2 ILE 17 1.799 -8.596 1.131 148 HG23 ILE 17 3HG2 ILE 17 0.058 -8.585 0.850 149 HD11 ILE 17 3HD1 ILE 17 -2.835 -8.024 2.979 150 HD12 ILE 17 1HD1 ILE 17 -1.822 -8.319 1.565 151 HD13 ILE 17 2HD1 ILE 17 -1.815 -6.734 2.341 152 H LEU 18 H LEU 18 3.067 -6.240 3.335 153 HA LEU 18 HA LEU 18 4.869 -7.232 1.448 154 HB2 LEU 18 2HB LEU 18 5.091 -4.872 3.309 155 HB3 LEU 18 1HB LEU 18 6.220 -5.186 2.007 156 HG LEU 18 HG LEU 18 3.260 -4.745 1.607 157 HD11 LEU 18 1HD1 LEU 18 3.881 -2.537 0.771 158 HD12 LEU 18 2HD1 LEU 18 5.556 -2.829 1.233 159 HD13 LEU 18 3HD1 LEU 18 4.306 -2.727 2.471 160 HD21 LEU 18 3HD2 LEU 18 3.861 -4.491 -0.737 161 HD22 LEU 18 1HD2 LEU 18 4.341 -6.079 -0.137 162 HD23 LEU 18 2HD2 LEU 18 5.551 -4.815 -0.351 163 H LYS 19 H LYS 19 5.281 -6.819 4.954 164 HA LYS 19 HA LYS 19 7.909 -7.786 5.083 165 HB2 LYS 19 2HB LYS 19 5.674 -7.630 7.077 166 HB3 LYS 19 1HB LYS 19 7.277 -8.197 7.485 167 HG2 LYS 19 2HG LYS 19 7.185 -5.632 6.070 168 HG3 LYS 19 1HG LYS 19 6.486 -5.638 7.680 169 HD2 LYS 19 2HD LYS 19 8.812 -5.000 7.817 170 HD3 LYS 19 1HD LYS 19 8.593 -6.579 8.567 171 HE2 LYS 19 2HE LYS 19 9.437 -7.662 6.548 172 HE3 LYS 19 1HE LYS 19 9.626 -6.087 5.774 173 HZ1 LYS 19 3HZ LYS 19 11.242 -5.481 7.454 174 HZ2 LYS 19 1HZ LYS 19 11.719 -6.911 6.682 175 HZ3 LYS 19 2HZ LYS 19 11.043 -6.972 8.233 176 H GLU 20 H GLU 20 4.769 -9.350 5.162 177 HA GLU 20 HA GLU 20 5.605 -11.933 5.872 178 HB2 GLU 20 2HB GLU 20 3.210 -10.596 4.765 179 HB3 GLU 20 1HB GLU 20 3.312 -12.315 4.520 180 HG2 GLU 20 2HG GLU 20 3.413 -10.886 7.153 181 HG3 GLU 20 1HG GLU 20 2.053 -11.807 6.519 182 H VAL 21 H VAL 21 5.011 -10.365 2.755 183 HA VAL 21 HA VAL 21 5.500 -12.607 1.117 184 HB VAL 21 HB VAL 21 5.788 -9.659 0.489 185 HG11 VAL 21 1HG1 VAL 21 7.050 -11.041 -1.100 186 HG12 VAL 21 2HG1 VAL 21 5.651 -10.283 -1.856 187 HG13 VAL 21 3HG1 VAL 21 5.598 -11.990 -1.417 188 HG21 VAL 21 3HG2 VAL 21 3.582 -9.909 -0.545 189 HG22 VAL 21 1HG2 VAL 21 3.539 -10.293 1.177 190 HG23 VAL 21 2HG2 VAL 21 3.527 -11.591 -0.017 191 H LEU 22 H LEU 22 7.655 -10.082 2.355 192 HA LEU 22 HA LEU 22 9.932 -10.715 0.851 193 HB2 LEU 22 2HB LEU 22 9.633 -8.687 2.257 194 HB3 LEU 22 1HB LEU 22 9.841 -9.682 3.684 195 HG LEU 22 HG LEU 22 12.130 -10.247 2.932 196 HD11 LEU 22 1HD1 LEU 22 11.789 -9.933 0.529 197 HD12 LEU 22 2HD1 LEU 22 13.153 -8.987 1.123 198 HD13 LEU 22 3HD1 LEU 22 11.614 -8.197 0.783 199 HD21 LEU 22 3HD2 LEU 22 13.120 -8.084 3.437 200 HD22 LEU 22 1HD2 LEU 22 11.747 -8.412 4.495 201 HD23 LEU 22 2HD2 LEU 22 11.571 -7.293 3.142 202 H LYS 23 H LYS 23 8.761 -11.998 3.914 203 HA LYS 23 HA LYS 23 10.918 -13.748 4.461 204 HB2 LYS 23 2HB LYS 23 8.976 -13.012 5.978 205 HB3 LYS 23 1HB LYS 23 8.025 -14.236 5.174 206 HG2 LYS 23 2HG LYS 23 10.602 -14.895 6.566 207 HG3 LYS 23 1HG LYS 23 9.054 -14.853 7.410 208 HD2 LYS 23 2HD LYS 23 8.198 -16.492 5.711 209 HD3 LYS 23 1HD LYS 23 9.850 -16.633 5.111 210 HE2 LYS 23 2HE LYS 23 10.587 -17.388 7.317 211 HE3 LYS 23 1HE LYS 23 8.938 -17.234 7.922 212 HZ1 LYS 23 3HZ LYS 23 9.127 -19.474 7.415 213 HZ2 LYS 23 1HZ LYS 23 10.023 -19.197 5.998 214 HZ3 LYS 23 2HZ LYS 23 8.365 -18.851 6.033 215 H LYS 24 H LYS 24 7.791 -14.212 2.937 216 HA LYS 24 HA LYS 24 8.136 -16.940 2.335 217 HB2 LYS 24 2HB LYS 24 6.232 -14.835 1.390 218 HB3 LYS 24 1HB LYS 24 6.189 -16.459 0.718 219 HG2 LYS 24 2HG LYS 24 5.949 -17.345 3.023 220 HG3 LYS 24 1HG LYS 24 5.836 -15.684 3.600 221 HD2 LYS 24 2HD LYS 24 3.777 -15.341 2.566 222 HD3 LYS 24 1HD LYS 24 3.990 -16.715 1.475 223 HE2 LYS 24 2HE LYS 24 3.641 -16.909 4.467 224 HE3 LYS 24 1HE LYS 24 2.360 -17.162 3.278 225 HZ1 LYS 24 3HZ LYS 24 3.382 -19.253 4.047 226 HZ2 LYS 24 1HZ LYS 24 4.873 -18.755 3.408 227 HZ3 LYS 24 2HZ LYS 24 3.551 -19.028 2.378 228 H ALA 25 H ALA 25 9.168 -14.096 0.637 229 HA ALA 25 HA ALA 25 9.642 -15.222 -1.891 230 HB1 ALA 25 1HB ALA 25 11.286 -13.123 -0.479 231 HB2 ALA 25 2HB ALA 25 9.817 -12.812 -1.405 232 HB3 ALA 25 3HB ALA 25 11.255 -13.439 -2.214 233 H LYS 26 H LYS 26 11.441 -15.374 1.121 234 HA LYS 26 HA LYS 26 13.666 -16.781 -0.018 235 HB2 LYS 26 2HB LYS 26 12.840 -16.043 2.752 236 HB3 LYS 26 1HB LYS 26 14.060 -17.293 2.531 237 HG2 LYS 26 2HG LYS 26 14.210 -14.508 1.393 238 HG3 LYS 26 1HG LYS 26 15.038 -15.062 2.852 239 HD2 LYS 26 2HD LYS 26 16.354 -16.615 1.610 240 HD3 LYS 26 1HD LYS 26 15.394 -16.355 0.154 241 HE2 LYS 26 2HE LYS 26 17.110 -14.271 1.494 242 HE3 LYS 26 1HE LYS 26 17.592 -15.228 0.094 243 HZ1 LYS 26 3HZ LYS 26 15.483 -13.156 0.260 244 HZ2 LYS 26 1HZ LYS 26 15.532 -14.288 -1.011 245 HZ3 LYS 26 2HZ LYS 26 16.829 -13.224 -0.771 246 H GLU 27 H GLU 27 10.626 -17.678 1.453 247 HA GLU 27 HA GLU 27 11.068 -20.423 1.788 248 HB2 GLU 27 2HB GLU 27 8.543 -18.970 0.967 249 HB3 GLU 27 1HB GLU 27 8.599 -20.663 1.444 250 HG2 GLU 27 2HG GLU 27 9.433 -20.003 3.648 251 HG3 GLU 27 1HG GLU 27 9.358 -18.312 3.162 252 H GLY 28 H GLY 28 10.056 -18.564 -1.046 253 HA2 GLY 28 2HA GLY 28 10.717 -18.861 -3.221 254 HA3 GLY 28 1HA GLY 28 11.712 -20.202 -2.688 255 H ASP 29 H ASP 29 8.185 -19.591 -2.837 256 HA ASP 29 HA ASP 29 8.043 -21.928 -4.622 257 HB2 ASP 29 2HB ASP 29 6.954 -22.487 -2.511 258 HB3 ASP 29 1HB ASP 29 5.938 -21.052 -2.636 259 H GLU 30 H GLU 30 7.103 -21.653 -6.530 260 HA GLU 30 HA GLU 30 6.725 -19.060 -7.535 261 HB2 GLU 30 2HB GLU 30 7.375 -20.917 -8.959 262 HB3 GLU 30 1HB GLU 30 5.840 -21.722 -8.657 263 HG2 GLU 30 2HG GLU 30 4.660 -19.918 -9.784 264 HG3 GLU 30 1HG GLU 30 6.189 -19.088 -10.067 265 H GLN 31 H GLN 31 4.328 -21.556 -6.684 266 HA GLN 31 HA GLN 31 2.064 -20.074 -7.464 267 HB2 GLN 31 2HB GLN 31 2.262 -22.215 -5.336 268 HB3 GLN 31 1HB GLN 31 0.776 -21.645 -6.078 269 HG2 GLN 31 2HG GLN 31 1.671 -22.424 -8.276 270 HG3 GLN 31 1HG GLN 31 3.019 -23.147 -7.401 271 HE21 GLN 31 1HE2 GLN 31 1.064 -24.434 -9.045 272 HE22 GLN 31 2HE2 GLN 31 0.251 -25.594 -8.052 273 H GLU 32 H GLU 32 3.738 -20.389 -4.376 274 HA GLU 32 HA GLU 32 2.070 -18.771 -2.822 275 HB2 GLU 32 2HB GLU 32 3.933 -20.202 -1.965 276 HB3 GLU 32 1HB GLU 32 5.075 -19.024 -2.593 277 HG2 GLU 32 2HG GLU 32 4.908 -18.510 -0.333 278 HG3 GLU 32 1HG GLU 32 3.862 -17.328 -1.118 279 H LEU 33 H LEU 33 4.927 -17.903 -4.768 280 HA LEU 33 HA LEU 33 5.002 -15.186 -4.097 281 HB2 LEU 33 2HB LEU 33 5.874 -16.557 -6.638 282 HB3 LEU 33 1HB LEU 33 6.258 -14.895 -6.232 283 HG LEU 33 HG LEU 33 7.150 -17.342 -4.701 284 HD11 LEU 33 1HD1 LEU 33 8.293 -17.085 -6.834 285 HD12 LEU 33 2HD1 LEU 33 9.379 -16.743 -5.487 286 HD13 LEU 33 3HD1 LEU 33 8.697 -15.417 -6.431 287 HD21 LEU 33 3HD2 LEU 33 8.485 -15.805 -3.369 288 HD22 LEU 33 1HD2 LEU 33 6.770 -15.419 -3.230 289 HD23 LEU 33 2HD2 LEU 33 7.815 -14.433 -4.254 290 H ALA 34 H ALA 34 3.287 -16.847 -6.721 291 HA ALA 34 HA ALA 34 2.215 -14.536 -7.937 292 HB1 ALA 34 1HB ALA 34 2.237 -16.731 -9.025 293 HB2 ALA 34 2HB ALA 34 0.612 -16.042 -8.987 294 HB3 ALA 34 3HB ALA 34 1.056 -17.321 -7.855 295 H ARG 35 H ARG 35 0.998 -16.671 -5.413 296 HA ARG 35 HA ARG 35 -1.471 -15.456 -4.916 297 HB2 ARG 35 2HB ARG 35 -0.817 -17.618 -3.992 298 HB3 ARG 35 1HB ARG 35 0.435 -16.854 -3.031 299 HG2 ARG 35 2HG ARG 35 -1.365 -15.587 -1.847 300 HG3 ARG 35 1HG ARG 35 -2.538 -16.594 -2.701 301 HD2 ARG 35 2HD ARG 35 -1.540 -18.592 -1.735 302 HD3 ARG 35 1HD ARG 35 -0.335 -17.604 -0.910 303 HE ARG 35 HE ARG 35 -3.149 -17.073 -0.329 304 HH11 ARG 35 1HH1 ARG 35 -0.067 -18.431 0.661 305 HH12 ARG 35 2HH1 ARG 35 -0.543 -18.616 2.326 306 HH21 ARG 35 1HH2 ARG 35 -3.768 -17.308 1.859 307 HH22 ARG 35 2HH2 ARG 35 -2.659 -18.007 3.002 308 H LEU 36 H LEU 36 1.705 -14.882 -3.481 309 HA LEU 36 HA LEU 36 0.988 -12.927 -1.619 310 HB2 LEU 36 2HB LEU 36 3.580 -13.281 -3.118 311 HB3 LEU 36 1HB LEU 36 3.375 -12.262 -1.707 312 HG LEU 36 HG LEU 36 2.980 -15.253 -1.749 313 HD11 LEU 36 1HD1 LEU 36 5.254 -13.617 -0.644 314 HD12 LEU 36 2HD1 LEU 36 5.316 -14.625 -2.090 315 HD13 LEU 36 3HD1 LEU 36 5.064 -15.362 -0.508 316 HD21 LEU 36 3HD2 LEU 36 1.606 -14.107 -0.086 317 HD22 LEU 36 1HD2 LEU 36 3.041 -13.300 0.546 318 HD23 LEU 36 2HD2 LEU 36 2.885 -15.053 0.672 319 H ASN 37 H ASN 37 2.103 -12.567 -4.973 320 HA ASN 37 HA ASN 37 2.166 -9.765 -5.038 321 HB2 ASN 37 2HB ASN 37 3.088 -11.352 -6.790 322 HB3 ASN 37 1HB ASN 37 1.437 -11.541 -7.374 323 HD21 ASN 37 1HD2 ASN 37 1.824 -10.644 -9.363 324 HD22 ASN 37 2HD2 ASN 37 2.149 -8.965 -9.590 325 H GLN 38 H GLN 38 -0.434 -12.051 -5.803 326 HA GLN 38 HA GLN 38 -2.366 -10.185 -6.599 327 HB2 GLN 38 2HB GLN 38 -2.227 -13.026 -5.847 328 HB3 GLN 38 1HB GLN 38 -3.786 -12.275 -5.605 329 HG2 GLN 38 2HG GLN 38 -2.317 -12.044 -8.198 330 HG3 GLN 38 1HG GLN 38 -3.349 -13.424 -7.833 331 HE21 GLN 38 1HE2 GLN 38 -4.740 -12.897 -9.524 332 HE22 GLN 38 2HE2 GLN 38 -5.858 -11.578 -9.403 333 H GLU 39 H GLU 39 -1.506 -11.517 -3.452 334 HA GLU 39 HA GLU 39 -3.627 -10.488 -1.932 335 HB2 GLU 39 2HB GLU 39 -1.983 -12.171 -1.134 336 HB3 GLU 39 1HB GLU 39 -0.753 -10.919 -1.084 337 HG2 GLU 39 2HG GLU 39 -1.473 -11.164 1.124 338 HG3 GLU 39 1HG GLU 39 -2.266 -9.699 0.542 339 H ILE 40 H ILE 40 -0.466 -9.126 -2.765 340 HA ILE 40 HA ILE 40 -0.708 -6.736 -1.285 341 HB ILE 40 HB ILE 40 0.914 -7.231 -3.791 342 HG12 ILE 40 2HG1 ILE 40 1.717 -7.435 -0.880 343 HG13 ILE 40 1HG1 ILE 40 1.404 -8.806 -1.940 344 HG21 ILE 40 1HG2 ILE 40 1.194 -5.103 -1.670 345 HG22 ILE 40 2HG2 ILE 40 0.633 -4.855 -3.325 346 HG23 ILE 40 3HG2 ILE 40 2.296 -5.362 -3.024 347 HD11 ILE 40 3HD1 ILE 40 3.269 -8.076 -3.373 348 HD12 ILE 40 1HD1 ILE 40 3.771 -8.458 -1.727 349 HD13 ILE 40 2HD1 ILE 40 3.606 -6.777 -2.232 350 H VAL 41 H VAL 41 -1.290 -7.422 -4.735 351 HA VAL 41 HA VAL 41 -2.030 -4.846 -5.515 352 HB VAL 41 HB VAL 41 -3.036 -7.471 -6.638 353 HG11 VAL 41 1HG1 VAL 41 -3.426 -6.179 -8.705 354 HG12 VAL 41 2HG1 VAL 41 -3.027 -4.700 -7.833 355 HG13 VAL 41 3HG1 VAL 41 -4.444 -5.643 -7.369 356 HG21 VAL 41 3HG2 VAL 41 -1.257 -7.231 -8.280 357 HG22 VAL 41 1HG2 VAL 41 -0.595 -7.297 -6.647 358 HG23 VAL 41 2HG2 VAL 41 -0.712 -5.752 -7.490 359 H LYS 42 H LYS 42 -4.008 -7.507 -4.288 360 HA LYS 42 HA LYS 42 -6.524 -6.346 -4.645 361 HB2 LYS 42 2HB LYS 42 -6.025 -8.740 -4.091 362 HB3 LYS 42 1HB LYS 42 -5.710 -8.238 -2.436 363 HG2 LYS 42 2HG LYS 42 -7.997 -7.517 -2.173 364 HG3 LYS 42 1HG LYS 42 -8.334 -7.881 -3.869 365 HD2 LYS 42 2HD LYS 42 -7.707 -10.252 -3.405 366 HD3 LYS 42 1HD LYS 42 -7.592 -9.832 -1.695 367 HE2 LYS 42 2HE LYS 42 -9.935 -9.195 -1.672 368 HE3 LYS 42 1HE LYS 42 -10.062 -9.541 -3.397 369 HZ1 LYS 42 3HZ LYS 42 -9.410 -11.523 -1.283 370 HZ2 LYS 42 1HZ LYS 42 -9.535 -11.854 -2.942 371 HZ3 LYS 42 2HZ LYS 42 -10.907 -11.373 -2.065 372 H ALA 43 H ALA 43 -4.293 -6.184 -1.900 373 HA ALA 43 HA ALA 43 -6.040 -4.729 -0.197 374 HB1 ALA 43 1HB ALA 43 -3.032 -4.934 -0.124 375 HB2 ALA 43 2HB ALA 43 -4.161 -6.035 0.666 376 HB3 ALA 43 3HB ALA 43 -4.064 -4.352 1.182 377 H GLU 44 H GLU 44 -3.319 -3.761 -2.262 378 HA GLU 44 HA GLU 44 -3.361 -1.013 -1.718 379 HB2 GLU 44 2HB GLU 44 -2.525 -2.527 -4.195 380 HB3 GLU 44 1HB GLU 44 -2.244 -0.808 -3.968 381 HG2 GLU 44 2HG GLU 44 -1.275 -2.733 -1.916 382 HG3 GLU 44 1HG GLU 44 -0.380 -2.535 -3.422 383 H LYS 45 H LYS 45 -5.051 -2.905 -4.176 384 HA LYS 45 HA LYS 45 -6.193 -0.758 -5.580 385 HB2 LYS 45 2HB LYS 45 -6.046 -3.354 -6.064 386 HB3 LYS 45 1HB LYS 45 -7.635 -3.363 -5.317 387 HG2 LYS 45 2HG LYS 45 -6.947 -1.565 -7.620 388 HG3 LYS 45 1HG LYS 45 -7.543 -3.208 -7.839 389 HD2 LYS 45 2HD LYS 45 -9.585 -2.652 -6.650 390 HD3 LYS 45 1HD LYS 45 -8.982 -1.025 -6.328 391 HE2 LYS 45 2HE LYS 45 -10.556 -1.045 -8.202 392 HE3 LYS 45 1HE LYS 45 -8.944 -0.555 -8.724 393 HZ1 LYS 45 3HZ LYS 45 -10.277 -3.172 -9.149 394 HZ2 LYS 45 1HZ LYS 45 -8.613 -2.942 -9.394 395 HZ3 LYS 45 2HZ LYS 45 -9.734 -2.074 -10.322 396 H GLN 46 H GLN 46 -7.371 -2.664 -2.838 397 HA GLN 46 HA GLN 46 -9.896 -1.405 -2.641 398 HB2 GLN 46 2HB GLN 46 -9.207 -3.578 -1.555 399 HB3 GLN 46 1HB GLN 46 -8.315 -2.630 -0.378 400 HG2 GLN 46 2HG GLN 46 -10.512 -3.321 0.456 401 HG3 GLN 46 1HG GLN 46 -10.343 -1.568 0.376 402 HE21 GLN 46 1HE2 GLN 46 -12.541 -1.206 0.277 403 HE22 GLN 46 2HE2 GLN 46 -13.495 -1.586 -1.119 404 H GLY 47 H GLY 47 -6.745 -0.750 -1.241 405 HA2 GLY 47 2HA GLY 47 -7.433 1.303 0.525 406 HA3 GLY 47 1HA GLY 47 -5.875 1.146 -0.275 407 H VAL 48 H VAL 48 -6.538 1.503 -2.909 408 HA VAL 48 HA VAL 48 -6.717 4.272 -3.202 409 HB VAL 48 HB VAL 48 -7.417 2.155 -5.248 410 HG11 VAL 48 1HG1 VAL 48 -8.245 4.360 -5.894 411 HG12 VAL 48 2HG1 VAL 48 -6.902 3.859 -6.922 412 HG13 VAL 48 3HG1 VAL 48 -6.638 5.044 -5.643 413 HG21 VAL 48 3HG2 VAL 48 -4.800 3.558 -4.723 414 HG22 VAL 48 1HG2 VAL 48 -5.118 2.395 -6.012 415 HG23 VAL 48 2HG2 VAL 48 -5.172 1.880 -4.326 416 H LYS 49 H LYS 49 -9.218 1.794 -3.356 417 HA LYS 49 HA LYS 49 -11.342 3.416 -4.231 418 HB2 LYS 49 2HB LYS 49 -11.353 0.936 -4.199 419 HB3 LYS 49 1HB LYS 49 -11.445 0.979 -2.448 420 HG2 LYS 49 2HG LYS 49 -13.617 0.539 -3.459 421 HG3 LYS 49 1HG LYS 49 -13.615 2.059 -2.564 422 HD2 LYS 49 2HD LYS 49 -13.438 3.322 -4.596 423 HD3 LYS 49 1HD LYS 49 -13.215 1.850 -5.544 424 HE2 LYS 49 2HE LYS 49 -15.487 2.680 -5.764 425 HE3 LYS 49 1HE LYS 49 -15.465 1.122 -4.940 426 HZ1 LYS 49 3HZ LYS 49 -16.979 2.576 -3.833 427 HZ2 LYS 49 1HZ LYS 49 -15.808 3.791 -3.680 428 HZ3 LYS 49 2HZ LYS 49 -15.648 2.344 -2.814 429 H VAL 50 H VAL 50 -10.223 2.560 -0.990 430 HA VAL 50 HA VAL 50 -12.243 3.995 0.399 431 HB VAL 50 HB VAL 50 -9.505 3.165 1.381 432 HG11 VAL 50 1HG1 VAL 50 -10.473 3.332 3.618 433 HG12 VAL 50 2HG1 VAL 50 -11.988 3.905 2.925 434 HG13 VAL 50 3HG1 VAL 50 -10.530 4.885 2.787 435 HG21 VAL 50 3HG2 VAL 50 -12.161 1.751 1.596 436 HG22 VAL 50 1HG2 VAL 50 -10.645 1.215 2.317 437 HG23 VAL 50 2HG2 VAL 50 -10.816 1.269 0.563 438 H TYR 51 H TYR 51 -8.891 4.779 -0.486 439 HA TYR 51 HA TYR 51 -8.825 7.266 0.838 440 HB2 TYR 51 2HB TYR 51 -7.143 5.958 -1.251 441 HB3 TYR 51 1HB TYR 51 -6.930 7.680 -0.951 442 HD1 TYR 51 1HD TYR 51 -6.944 4.373 0.758 443 HD2 TYR 51 2HD TYR 51 -5.632 8.421 0.851 444 HE1 TYR 51 1HE TYR 51 -5.528 3.867 2.702 445 HE2 TYR 51 2HE TYR 51 -4.211 7.919 2.791 446 HH TYR 51 HH TYR 51 -3.573 4.728 3.825 447 H LYS 52 H LYS 52 -9.835 6.395 -2.442 448 HA LYS 52 HA LYS 52 -10.120 9.025 -3.417 449 HB2 LYS 52 2HB LYS 52 -10.776 6.393 -4.302 450 HB3 LYS 52 1HB LYS 52 -12.210 7.392 -4.478 451 HG2 LYS 52 2HG LYS 52 -9.563 8.329 -5.511 452 HG3 LYS 52 1HG LYS 52 -10.542 7.198 -6.441 453 HD2 LYS 52 2HD LYS 52 -11.063 9.373 -7.246 454 HD3 LYS 52 1HD LYS 52 -12.431 8.858 -6.264 455 HE2 LYS 52 2HE LYS 52 -11.638 10.209 -4.408 456 HE3 LYS 52 1HE LYS 52 -10.209 10.671 -5.332 457 HZ1 LYS 52 3HZ LYS 52 -11.506 11.926 -6.820 458 HZ2 LYS 52 1HZ LYS 52 -12.084 12.330 -5.278 459 HZ3 LYS 52 2HZ LYS 52 -12.961 11.263 -6.261 460 H GLU 53 H GLU 53 -12.352 6.903 -1.694 461 HA GLU 53 HA GLU 53 -14.575 8.600 -1.595 462 HB2 GLU 53 2HB GLU 53 -13.827 6.085 -0.608 463 HB3 GLU 53 1HB GLU 53 -14.219 7.032 0.818 464 HG2 GLU 53 2HG GLU 53 -16.080 6.944 -1.514 465 HG3 GLU 53 1HG GLU 53 -16.053 5.649 -0.320 466 H ALA 54 H ALA 54 -11.854 8.173 0.639 467 HA ALA 54 HA ALA 54 -12.658 10.090 2.541 468 HB1 ALA 54 1HB ALA 54 -11.007 8.335 2.998 469 HB2 ALA 54 2HB ALA 54 -10.388 9.937 3.396 470 HB3 ALA 54 3HB ALA 54 -9.867 9.133 1.916 471 H ALA 55 H ALA 55 -10.799 10.367 -0.429 472 HA ALA 55 HA ALA 55 -9.722 12.924 -0.021 473 HB1 ALA 55 1HB ALA 55 -8.985 11.413 -1.801 474 HB2 ALA 55 2HB ALA 55 -9.417 13.004 -2.431 475 HB3 ALA 55 3HB ALA 55 -10.524 11.645 -2.629 476 H GLU 56 H GLU 56 -12.849 11.897 -1.313 477 HA GLU 56 HA GLU 56 -13.656 14.560 -2.003 478 HB2 GLU 56 2HB GLU 56 -15.328 12.071 -1.592 479 HB3 GLU 56 1HB GLU 56 -15.894 13.571 -2.314 480 HG2 GLU 56 2HG GLU 56 -13.798 11.713 -3.407 481 HG3 GLU 56 1HG GLU 56 -15.421 11.985 -4.041 482 H LYS 57 H LYS 57 -13.823 12.528 0.792 483 HA LYS 57 HA LYS 57 -15.621 14.306 2.206 484 HB2 LYS 57 2HB LYS 57 -14.302 11.700 2.869 485 HB3 LYS 57 1HB LYS 57 -15.185 12.622 4.076 486 HG2 LYS 57 2HG LYS 57 -17.207 12.457 2.783 487 HG3 LYS 57 1HG LYS 57 -16.343 11.658 1.470 488 HD2 LYS 57 2HD LYS 57 -15.921 9.740 2.836 489 HD3 LYS 57 1HD LYS 57 -16.570 10.552 4.262 490 HE2 LYS 57 2HE LYS 57 -18.772 10.585 3.298 491 HE3 LYS 57 1HE LYS 57 -18.157 9.946 1.774 492 HZ1 LYS 57 3HZ LYS 57 -17.985 8.493 4.351 493 HZ2 LYS 57 1HZ LYS 57 -17.643 7.891 2.799 494 HZ3 LYS 57 2HZ LYS 57 -19.241 8.276 3.229 495 H ALA 58 H ALA 58 -12.599 14.688 1.385 496 HA ALA 58 HA ALA 58 -11.274 15.210 3.844 497 HB1 ALA 58 1HB ALA 58 -10.674 16.288 1.095 498 HB2 ALA 58 2HB ALA 58 -10.044 14.784 1.770 499 HB3 ALA 58 3HB ALA 58 -9.594 16.332 2.489 500 H ARG 59 H ARG 59 -11.525 16.838 5.169 501 HA ARG 59 HA ARG 59 -13.417 18.900 4.659 502 HB2 ARG 59 2HB ARG 59 -12.357 19.794 6.897 503 HB3 ARG 59 1HB ARG 59 -13.386 18.369 6.889 504 HG2 ARG 59 2HG ARG 59 -11.379 16.948 6.833 505 HG3 ARG 59 1HG ARG 59 -10.378 18.398 6.922 506 HD2 ARG 59 2HD ARG 59 -10.999 18.850 9.103 507 HD3 ARG 59 1HD ARG 59 -12.491 17.917 8.979 508 HE ARG 59 HE ARG 59 -10.701 15.977 8.726 509 HH11 ARG 59 1HH1 ARG 59 -10.724 18.673 10.986 510 HH12 ARG 59 2HH1 ARG 59 -9.928 17.774 12.247 511 HH21 ARG 59 1HH2 ARG 59 -9.716 14.803 10.381 512 HH22 ARG 59 2HH2 ARG 59 -9.381 15.564 11.909 513 H ASN 60 H ASN 60 -9.872 18.909 4.961 514 HA ASN 60 HA ASN 60 -9.898 21.655 3.900 515 HB2 ASN 60 2HB ASN 60 -7.707 20.232 5.440 516 HB3 ASN 60 1HB ASN 60 -7.587 21.860 4.790 517 HD21 ASN 60 1HD2 ASN 60 -7.363 22.983 6.617 518 HD22 ASN 60 2HD2 ASN 60 -8.549 23.050 7.880 519 HA PRO 61 HA PRO 61 -8.138 20.134 0.085 520 HB2 PRO 61 2HB PRO 61 -6.820 22.790 -0.001 521 HB3 PRO 61 1HB PRO 61 -7.884 22.026 -1.186 522 HG2 PRO 61 2HG PRO 61 -8.746 24.047 0.328 523 HG3 PRO 61 1HG PRO 61 -9.809 22.689 -0.086 524 HD2 PRO 61 2HD PRO 61 -8.363 23.255 2.472 525 HD3 PRO 61 1HD PRO 61 -9.998 22.608 2.221 526 H GLU 62 H GLU 62 -6.317 21.720 2.599 527 HA GLU 62 HA GLU 62 -3.692 21.065 1.870 528 HB2 GLU 62 2HB GLU 62 -4.377 22.609 3.694 529 HB3 GLU 62 1HB GLU 62 -4.907 21.231 4.624 530 HG2 GLU 62 2HG GLU 62 -2.578 20.368 4.561 531 HG3 GLU 62 1HG GLU 62 -2.095 21.889 3.808 532 H LYS 63 H LYS 63 -6.068 19.402 3.839 533 HA LYS 63 HA LYS 63 -4.412 17.124 4.350 534 HB2 LYS 63 2HB LYS 63 -7.421 17.292 4.615 535 HB3 LYS 63 1HB LYS 63 -6.355 16.132 5.393 536 HG2 LYS 63 2HG LYS 63 -6.644 19.065 5.975 537 HG3 LYS 63 1HG LYS 63 -6.966 17.701 7.046 538 HD2 LYS 63 2HD LYS 63 -4.533 17.153 6.962 539 HD3 LYS 63 1HD LYS 63 -4.278 18.640 6.045 540 HE2 LYS 63 2HE LYS 63 -5.436 19.826 7.992 541 HE3 LYS 63 1HE LYS 63 -5.211 18.324 8.886 542 HZ1 LYS 63 3HZ LYS 63 -2.772 18.564 8.247 543 HZ2 LYS 63 1HZ LYS 63 -3.368 19.629 9.427 544 HZ3 LYS 63 2HZ LYS 63 -3.149 20.163 7.829 545 H ARG 64 H ARG 64 -6.823 17.997 1.971 546 HA ARG 64 HA ARG 64 -7.170 15.448 0.823 547 HB2 ARG 64 2HB ARG 64 -8.725 17.248 0.327 548 HB3 ARG 64 1HB ARG 64 -7.443 18.186 -0.432 549 HG2 ARG 64 2HG ARG 64 -7.239 16.570 -2.205 550 HG3 ARG 64 1HG ARG 64 -8.396 15.505 -1.408 551 HD2 ARG 64 2HD ARG 64 -10.183 17.030 -1.788 552 HD3 ARG 64 1HD ARG 64 -9.075 18.293 -2.326 553 HE ARG 64 HE ARG 64 -8.629 16.960 -4.303 554 HH11 ARG 64 1HH1 ARG 64 -11.453 16.051 -2.426 555 HH12 ARG 64 2HH1 ARG 64 -12.190 15.176 -3.739 556 HH21 ARG 64 1HH2 ARG 64 -9.641 15.852 -6.029 557 HH22 ARG 64 2HH2 ARG 64 -11.183 15.095 -5.774 558 H GLN 65 H GLN 65 -4.777 17.994 0.272 559 HA GLN 65 HA GLN 65 -3.523 17.011 -2.003 560 HB2 GLN 65 2HB GLN 65 -2.933 19.151 -0.934 561 HB3 GLN 65 1HB GLN 65 -2.227 18.282 0.416 562 HG2 GLN 65 2HG GLN 65 -0.609 17.254 -1.157 563 HG3 GLN 65 1HG GLN 65 -1.258 18.281 -2.433 564 HE21 GLN 65 1HE2 GLN 65 0.731 19.267 -2.736 565 HE22 GLN 65 2HE2 GLN 65 1.382 20.408 -1.605 566 H VAL 66 H VAL 66 -2.911 16.200 1.382 567 HA VAL 66 HA VAL 66 -0.838 14.364 0.972 568 HB VAL 66 HB VAL 66 -2.916 14.286 3.168 569 HG11 VAL 66 1HG1 VAL 66 -1.175 13.173 4.474 570 HG12 VAL 66 2HG1 VAL 66 -0.099 13.214 3.077 571 HG13 VAL 66 3HG1 VAL 66 -1.577 12.252 3.024 572 HG21 VAL 66 3HG2 VAL 66 -1.324 15.642 4.463 573 HG22 VAL 66 1HG2 VAL 66 -1.911 16.491 3.033 574 HG23 VAL 66 2HG2 VAL 66 -0.296 15.782 3.035 575 H ILE 67 H ILE 67 -4.342 13.818 1.270 576 HA ILE 67 HA ILE 67 -4.272 11.024 0.937 577 HB ILE 67 HB ILE 67 -6.518 12.923 0.243 578 HG12 ILE 67 2HG1 ILE 67 -5.969 11.413 2.808 579 HG13 ILE 67 1HG1 ILE 67 -5.714 13.140 2.581 580 HG21 ILE 67 1HG2 ILE 67 -7.968 10.983 0.559 581 HG22 ILE 67 2HG2 ILE 67 -6.553 9.968 0.849 582 HG23 ILE 67 3HG2 ILE 67 -6.803 10.707 -0.735 583 HD11 ILE 67 3HD1 ILE 67 -8.100 13.451 2.214 584 HD12 ILE 67 1HD1 ILE 67 -7.784 12.679 3.770 585 HD13 ILE 67 2HD1 ILE 67 -8.361 11.717 2.409 586 H ASP 68 H ASP 68 -4.788 13.644 -1.377 587 HA ASP 68 HA ASP 68 -5.281 12.078 -3.662 588 HB2 ASP 68 2HB ASP 68 -5.658 14.585 -3.307 589 HB3 ASP 68 1HB ASP 68 -3.942 14.790 -3.639 590 H LYS 69 H LYS 69 -2.295 13.380 -2.285 591 HA LYS 69 HA LYS 69 -0.498 12.551 -4.266 592 HB2 LYS 69 2HB LYS 69 0.203 14.036 -2.500 593 HB3 LYS 69 1HB LYS 69 -0.177 12.838 -1.274 594 HG2 LYS 69 2HG LYS 69 1.615 11.393 -2.294 595 HG3 LYS 69 1HG LYS 69 2.075 12.797 -3.258 596 HD2 LYS 69 2HD LYS 69 2.504 14.077 -1.241 597 HD3 LYS 69 1HD LYS 69 1.947 12.735 -0.243 598 HE2 LYS 69 2HE LYS 69 3.781 11.350 -1.137 599 HE3 LYS 69 1HE LYS 69 4.352 12.736 -2.063 600 HZ1 LYS 69 3HZ LYS 69 4.587 13.928 0.100 601 HZ2 LYS 69 1HZ LYS 69 5.633 12.603 -0.090 602 HZ3 LYS 69 2HZ LYS 69 4.258 12.467 0.896 603 H ILE 70 H ILE 70 -1.648 10.873 -1.362 604 HA ILE 70 HA ILE 70 -0.116 8.523 -1.735 605 HB ILE 70 HB ILE 70 -2.667 8.929 -0.159 606 HG12 ILE 70 2HG1 ILE 70 0.228 8.909 0.723 607 HG13 ILE 70 1HG1 ILE 70 -0.758 10.352 0.523 608 HG21 ILE 70 1HG2 ILE 70 -2.338 6.569 -0.620 609 HG22 ILE 70 2HG2 ILE 70 -1.995 6.907 1.076 610 HG23 ILE 70 3HG2 ILE 70 -0.668 6.671 -0.061 611 HD11 ILE 70 3HD1 ILE 70 -1.277 8.132 2.489 612 HD12 ILE 70 1HD1 ILE 70 -2.239 9.598 2.300 613 HD13 ILE 70 2HD1 ILE 70 -0.569 9.705 2.860 614 H LEU 71 H LEU 71 -3.331 9.495 -2.722 615 HA LEU 71 HA LEU 71 -4.389 7.099 -3.603 616 HB2 LEU 71 2HB LEU 71 -4.797 9.962 -4.131 617 HB3 LEU 71 1HB LEU 71 -5.339 8.909 -5.416 618 HG LEU 71 HG LEU 71 -6.228 8.678 -2.543 619 HD11 LEU 71 1HD1 LEU 71 -8.341 9.621 -3.326 620 HD12 LEU 71 2HD1 LEU 71 -7.649 9.853 -4.931 621 HD13 LEU 71 3HD1 LEU 71 -7.014 10.759 -3.559 622 HD21 LEU 71 3HD2 LEU 71 -6.314 6.575 -3.769 623 HD22 LEU 71 1HD2 LEU 71 -7.201 7.360 -5.075 624 HD23 LEU 71 2HD2 LEU 71 -7.942 7.193 -3.483 625 H GLU 72 H GLU 72 -2.367 9.418 -5.361 626 HA GLU 72 HA GLU 72 -2.323 7.939 -7.787 627 HB2 GLU 72 2HB GLU 72 -1.753 10.402 -7.447 628 HB3 GLU 72 1HB GLU 72 -0.190 9.852 -6.867 629 HG2 GLU 72 2HG GLU 72 0.154 8.682 -9.014 630 HG3 GLU 72 1HG GLU 72 -1.358 9.375 -9.595 631 H ASP 73 H ASP 73 -0.210 8.078 -4.966 632 HA ASP 73 HA ASP 73 1.887 6.560 -6.099 633 HB2 ASP 73 2HB ASP 73 1.204 7.338 -3.289 634 HB3 ASP 73 1HB ASP 73 2.480 6.163 -3.589 635 H GLU 74 H GLU 74 -0.947 5.566 -4.194 636 HA GLU 74 HA GLU 74 -0.058 2.863 -3.983 637 HB2 GLU 74 2HB GLU 74 -2.875 3.933 -3.802 638 HB3 GLU 74 1HB GLU 74 -2.349 2.333 -3.302 639 HG2 GLU 74 2HG GLU 74 -1.497 4.953 -2.096 640 HG3 GLU 74 1HG GLU 74 -2.616 3.789 -1.395 641 H GLU 75 H GLU 75 -2.222 4.546 -6.269 642 HA GLU 75 HA GLU 75 -2.840 2.427 -7.928 643 HB2 GLU 75 2HB GLU 75 -3.926 4.547 -8.114 644 HB3 GLU 75 1HB GLU 75 -2.404 5.381 -8.359 645 HG2 GLU 75 2HG GLU 75 -3.352 3.372 -10.327 646 HG3 GLU 75 1HG GLU 75 -4.000 5.008 -10.320 647 H LYS 76 H LYS 76 -0.051 4.561 -7.812 648 HA LYS 76 HA LYS 76 1.388 3.695 -10.030 649 HB2 LYS 76 2HB LYS 76 1.930 5.683 -8.695 650 HB3 LYS 76 1HB LYS 76 2.378 4.664 -7.339 651 HG2 LYS 76 2HG LYS 76 4.164 3.687 -8.836 652 HG3 LYS 76 1HG LYS 76 3.802 5.005 -9.955 653 HD2 LYS 76 2HD LYS 76 4.673 5.304 -7.077 654 HD3 LYS 76 1HD LYS 76 5.680 5.580 -8.499 655 HE2 LYS 76 2HE LYS 76 4.267 7.420 -9.187 656 HE3 LYS 76 1HE LYS 76 3.155 7.099 -7.855 657 HZ1 LYS 76 3HZ LYS 76 6.001 7.816 -7.450 658 HZ2 LYS 76 1HZ LYS 76 4.774 7.754 -6.282 659 HZ3 LYS 76 2HZ LYS 76 4.753 8.960 -7.477 660 H HIS 77 H HIS 77 1.352 2.495 -6.709 661 HA HIS 77 HA HIS 77 3.335 0.524 -6.990 662 HB2 HIS 77 2HB HIS 77 0.959 0.676 -5.124 663 HB3 HIS 77 1HB HIS 77 2.250 -0.508 -4.978 664 HD2 HIS 77 2HD HIS 77 4.404 2.165 -5.777 665 HE1 HIS 77 1HE HIS 77 3.443 2.992 -1.746 666 HE2 HIS 77 2HE HIS 77 5.004 3.537 -3.659 667 H ILE 78 H ILE 78 -0.195 0.367 -7.342 668 HA ILE 78 HA ILE 78 -0.447 -2.355 -7.920 669 HB ILE 78 HB ILE 78 -2.089 -0.090 -9.073 670 HG12 ILE 78 2HG1 ILE 78 -2.591 -1.759 -6.600 671 HG13 ILE 78 1HG1 ILE 78 -1.956 -0.116 -6.584 672 HG21 ILE 78 1HG2 ILE 78 -3.853 -1.780 -9.322 673 HG22 ILE 78 2HG2 ILE 78 -2.734 -3.022 -8.762 674 HG23 ILE 78 3HG2 ILE 78 -2.425 -2.176 -10.277 675 HD11 ILE 78 3HD1 ILE 78 -4.008 0.698 -7.597 676 HD12 ILE 78 1HD1 ILE 78 -4.337 -0.169 -6.096 677 HD13 ILE 78 2HD1 ILE 78 -4.643 -0.948 -7.649 678 H GLU 79 H GLU 79 0.307 0.381 -10.007 679 HA GLU 79 HA GLU 79 0.201 -0.908 -12.488 680 HB2 GLU 79 2HB GLU 79 0.562 1.621 -11.721 681 HB3 GLU 79 1HB GLU 79 2.244 1.208 -11.998 682 HG2 GLU 79 2HG GLU 79 0.138 0.753 -14.078 683 HG3 GLU 79 1HG GLU 79 0.961 2.297 -13.894 684 H TRP 80 H TRP 80 2.843 -0.578 -10.146 685 HA TRP 80 HA TRP 80 4.864 -1.798 -11.705 686 HB2 TRP 80 2HB TRP 80 4.578 -1.723 -8.691 687 HB3 TRP 80 1HB TRP 80 6.040 -2.158 -9.560 688 HD1 TRP 80 HD TRP 80 5.232 0.515 -11.634 689 HE1 TRP 80 1HE TRP 80 6.137 2.787 -10.804 690 HE3 TRP 80 3HE TRP 80 6.128 -0.720 -6.759 691 HZ2 TRP 80 2HZ TRP 80 7.101 3.890 -8.389 692 HZ3 TRP 80 3HZ TRP 80 7.045 0.993 -5.248 693 HH2 TRP 80 HH TRP 80 7.523 3.255 -6.053 694 H HIS 81 H HIS 81 2.609 -3.100 -9.301 695 HA HIS 81 HA HIS 81 3.669 -5.733 -9.396 696 HB2 HIS 81 2HB HIS 81 1.116 -4.606 -8.268 697 HB3 HIS 81 1HB HIS 81 1.498 -6.325 -8.195 698 HD1 HIS 81 1HD HIS 81 3.472 -7.037 -6.625 699 HD2 HIS 81 2HD HIS 81 2.566 -2.981 -6.554 700 HE1 HIS 81 1HE HIS 81 4.781 -6.043 -4.693 701 H LYS 82 H LYS 82 1.153 -4.088 -11.199 702 HA LYS 82 HA LYS 82 0.027 -6.291 -12.510 703 HB2 LYS 82 2HB LYS 82 0.392 -3.409 -13.190 704 HB3 LYS 82 1HB LYS 82 -0.107 -4.506 -14.467 705 HG2 LYS 82 2HG LYS 82 -1.569 -4.284 -11.852 706 HG3 LYS 82 1HG LYS 82 -1.950 -3.291 -13.262 707 HD2 LYS 82 2HD LYS 82 -2.200 -5.461 -14.551 708 HD3 LYS 82 1HD LYS 82 -2.141 -6.286 -12.993 709 HE2 LYS 82 2HE LYS 82 -4.113 -5.141 -12.244 710 HE3 LYS 82 1HE LYS 82 -4.110 -4.105 -13.671 711 HZ1 LYS 82 3HZ LYS 82 -5.734 -5.782 -13.995 712 HZ2 LYS 82 1HZ LYS 82 -4.659 -7.025 -13.575 713 HZ3 LYS 82 2HZ LYS 82 -4.437 -6.158 -15.015 714 H ALA 83 H ALA 83 2.999 -4.491 -13.152 715 HA ALA 83 HA ALA 83 3.671 -5.847 -15.557 716 HB1 ALA 83 1HB ALA 83 5.502 -4.438 -13.614 717 HB2 ALA 83 2HB ALA 83 4.640 -3.670 -14.947 718 HB3 ALA 83 3HB ALA 83 5.884 -4.875 -15.278 719 H ALA 84 H ALA 84 4.472 -6.342 -12.158 720 HA ALA 84 HA ALA 84 6.235 -8.510 -12.460 721 HB1 ALA 84 1HB ALA 84 5.752 -9.000 -10.115 722 HB2 ALA 84 2HB ALA 84 4.370 -7.905 -10.168 723 HB3 ALA 84 3HB ALA 84 6.004 -7.273 -10.369 724 H SER 85 H SER 85 2.766 -8.293 -12.547 725 HA SER 85 HA SER 85 2.219 -11.068 -12.236 726 HB2 SER 85 2HB SER 85 0.534 -8.927 -13.554 727 HB3 SER 85 1HB SER 85 -0.035 -10.498 -12.987 728 HG SER 85 HG SER 85 0.987 -8.356 -11.421 729 H LYS 86 H LYS 86 3.519 -9.245 -14.779 730 HA LYS 86 HA LYS 86 2.706 -11.156 -16.832 731 HB2 LYS 86 2HB LYS 86 2.713 -8.757 -17.397 732 HB3 LYS 86 1HB LYS 86 4.428 -8.672 -17.021 733 HG2 LYS 86 2HG LYS 86 4.856 -10.303 -18.838 734 HG3 LYS 86 1HG LYS 86 3.144 -10.228 -19.257 735 HD2 LYS 86 2HD LYS 86 5.053 -7.888 -19.254 736 HD3 LYS 86 1HD LYS 86 4.511 -8.767 -20.687 737 HE2 LYS 86 2HE LYS 86 2.208 -8.107 -20.221 738 HE3 LYS 86 1HE LYS 86 2.737 -7.252 -18.776 739 HZ1 LYS 86 3HZ LYS 86 3.488 -6.601 -21.576 740 HZ2 LYS 86 1HZ LYS 86 4.090 -5.810 -20.198 741 HZ3 LYS 86 2HZ LYS 86 2.440 -5.715 -20.578 742 H GLN 87 H GLN 87 5.752 -9.725 -15.666 743 HA GLN 87 HA GLN 87 7.052 -12.325 -15.739 744 HB2 GLN 87 2HB GLN 87 7.839 -10.012 -17.495 745 HB3 GLN 87 1HB GLN 87 9.025 -11.200 -16.978 746 HG2 GLN 87 2HG GLN 87 6.500 -11.869 -18.462 747 HG3 GLN 87 1HG GLN 87 8.066 -11.606 -19.230 748 HE21 GLN 87 1HE2 GLN 87 9.720 -13.099 -18.899 749 HE22 GLN 87 2HE2 GLN 87 9.399 -14.708 -18.350 750 H GLY 88 H GLY 88 8.976 -12.393 -14.492 751 HA2 GLY 88 2HA GLY 88 10.243 -10.158 -13.368 752 HA3 GLY 88 1HA GLY 88 9.022 -10.725 -12.235 753 H ASN 89 H ASN 89 11.698 -10.737 -11.565 754 HA ASN 89 HA ASN 89 12.311 -13.622 -11.554 755 HB2 ASN 89 2HB ASN 89 14.216 -11.275 -11.350 756 HB3 ASN 89 1HB ASN 89 14.682 -12.957 -11.140 757 HD21 ASN 89 1HD2 ASN 89 13.715 -10.500 -13.393 758 HD22 ASN 89 2HD2 ASN 89 14.122 -11.377 -14.830 759 H ALA 90 H ALA 90 13.353 -14.395 -9.560 760 HA ALA 90 HA ALA 90 11.728 -13.875 -7.361 761 HB1 ALA 90 1HB ALA 90 12.956 -15.972 -7.695 762 HB2 ALA 90 2HB ALA 90 13.232 -15.297 -6.089 763 HB3 ALA 90 3HB ALA 90 14.467 -15.136 -7.337 764 H GLU 91 H GLU 91 15.104 -12.866 -7.877 765 HA GLU 91 HA GLU 91 15.432 -11.501 -5.460 766 HB2 GLU 91 2HB GLU 91 16.745 -11.194 -8.153 767 HB3 GLU 91 1HB GLU 91 17.261 -10.311 -6.732 768 HG2 GLU 91 2HG GLU 91 17.796 -12.375 -5.596 769 HG3 GLU 91 1HG GLU 91 17.179 -13.304 -6.961 770 H GLN 92 H GLN 92 14.460 -10.353 -8.656 771 HA GLN 92 HA GLN 92 14.217 -7.630 -8.037 772 HB2 GLN 92 2HB GLN 92 12.700 -9.259 -10.084 773 HB3 GLN 92 1HB GLN 92 12.776 -7.503 -10.038 774 HG2 GLN 92 2HG GLN 92 15.161 -7.566 -10.432 775 HG3 GLN 92 1HG GLN 92 15.138 -9.329 -10.398 776 HE21 GLN 92 1HE2 GLN 92 15.965 -7.511 -12.522 777 HE22 GLN 92 2HE2 GLN 92 14.984 -7.898 -13.898 778 H PHE 93 H PHE 93 11.909 -10.290 -7.791 779 HA PHE 93 HA PHE 93 9.641 -8.752 -7.170 780 HB2 PHE 93 2HB PHE 93 9.557 -11.130 -7.842 781 HB3 PHE 93 1HB PHE 93 10.290 -11.582 -6.308 782 HD1 PHE 93 2HD PHE 93 7.350 -9.729 -7.656 783 HD2 PHE 93 1HD PHE 93 8.911 -12.200 -4.563 784 HE1 PHE 93 2HE PHE 93 5.110 -9.873 -6.649 785 HE2 PHE 93 1HE PHE 93 6.673 -12.351 -3.551 786 HZ PHE 93 HZ PHE 93 4.769 -11.188 -4.593 787 H ALA 94 H ALA 94 12.009 -10.373 -5.069 788 HA ALA 94 HA ALA 94 10.914 -9.572 -2.612 789 HB1 ALA 94 1HB ALA 94 13.096 -10.096 -1.655 790 HB2 ALA 94 2HB ALA 94 13.813 -10.114 -3.265 791 HB3 ALA 94 3HB ALA 94 12.615 -11.329 -2.818 792 H SER 95 H SER 95 13.179 -7.972 -4.792 793 HA SER 95 HA SER 95 13.856 -5.838 -3.074 794 HB2 SER 95 2HB SER 95 13.898 -5.985 -6.099 795 HB3 SER 95 1HB SER 95 14.754 -4.813 -5.108 796 HG SER 95 HG SER 95 15.161 -7.623 -5.152 797 H LEU 96 H LEU 96 11.379 -6.272 -5.560 798 HA LEU 96 HA LEU 96 10.318 -3.680 -5.582 799 HB2 LEU 96 2HB LEU 96 9.727 -5.330 -7.256 800 HB3 LEU 96 1HB LEU 96 8.998 -6.358 -6.042 801 HG LEU 96 HG LEU 96 7.222 -4.699 -5.685 802 HD11 LEU 96 1HD1 LEU 96 8.498 -2.686 -6.249 803 HD12 LEU 96 2HD1 LEU 96 7.002 -2.787 -7.179 804 HD13 LEU 96 3HD1 LEU 96 8.542 -3.188 -7.941 805 HD21 LEU 96 3HD2 LEU 96 7.635 -5.508 -8.561 806 HD22 LEU 96 1HD2 LEU 96 6.109 -4.963 -7.864 807 HD23 LEU 96 2HD2 LEU 96 6.853 -6.460 -7.299 808 H VAL 97 H VAL 97 9.458 -6.518 -3.674 809 HA VAL 97 HA VAL 97 7.346 -5.419 -2.224 810 HB VAL 97 HB VAL 97 9.306 -7.556 -1.375 811 HG11 VAL 97 1HG1 VAL 97 6.591 -6.874 -0.257 812 HG12 VAL 97 2HG1 VAL 97 8.139 -6.639 0.553 813 HG13 VAL 97 3HG1 VAL 97 7.568 -8.269 0.196 814 HG21 VAL 97 3HG2 VAL 97 7.543 -9.108 -2.098 815 HG22 VAL 97 1HG2 VAL 97 8.141 -8.113 -3.427 816 HG23 VAL 97 2HG2 VAL 97 6.591 -7.737 -2.674 817 H GLN 98 H GLN 98 10.813 -5.542 -1.420 818 HA GLN 98 HA GLN 98 10.528 -4.295 1.105 819 HB2 GLN 98 2HB GLN 98 12.506 -5.652 0.292 820 HB3 GLN 98 1HB GLN 98 13.006 -4.229 -0.610 821 HG2 GLN 98 2HG GLN 98 13.164 -2.956 1.462 822 HG3 GLN 98 1HG GLN 98 12.636 -4.367 2.374 823 HE21 GLN 98 1HE2 GLN 98 14.819 -4.501 -0.361 824 HE22 GLN 98 2HE2 GLN 98 16.223 -4.958 0.539 825 H GLN 99 H GLN 99 11.084 -3.015 -2.137 826 HA GLN 99 HA GLN 99 11.630 -0.350 -1.295 827 HB2 GLN 99 2HB GLN 99 12.170 -1.454 -3.547 828 HB3 GLN 99 1HB GLN 99 10.496 -1.146 -3.975 829 HG2 GLN 99 2HG GLN 99 12.316 1.054 -3.064 830 HG3 GLN 99 1HG GLN 99 12.269 0.520 -4.742 831 HE21 GLN 99 1HE2 GLN 99 11.568 3.091 -3.553 832 HE22 GLN 99 2HE2 GLN 99 9.918 3.396 -3.997 833 H HIS 100 H HIS 100 8.733 -2.031 -2.417 834 HA HIS 100 HA HIS 100 6.893 0.073 -2.307 835 HB2 HIS 100 2HB HIS 100 6.553 -2.259 -3.246 836 HB3 HIS 100 1HB HIS 100 6.367 -2.828 -1.597 837 HD1 HIS 100 1HD HIS 100 4.124 -3.049 -3.793 838 HD2 HIS 100 2HD HIS 100 4.377 -0.096 -0.880 839 HE1 HIS 100 1HE HIS 100 1.779 -2.189 -3.455 840 H LEU 101 H LEU 101 8.093 -2.132 0.172 841 HA LEU 101 HA LEU 101 6.405 -1.492 2.287 842 HB2 LEU 101 2HB LEU 101 8.003 -3.357 2.309 843 HB3 LEU 101 1HB LEU 101 9.335 -2.223 2.367 844 HG LEU 101 HG LEU 101 8.500 -1.434 4.582 845 HD11 LEU 101 1HD1 LEU 101 6.164 -2.108 4.308 846 HD12 LEU 101 2HD1 LEU 101 6.874 -2.790 5.771 847 HD13 LEU 101 3HD1 LEU 101 6.651 -3.804 4.345 848 HD21 LEU 101 3HD2 LEU 101 10.300 -3.075 4.394 849 HD22 LEU 101 1HD2 LEU 101 9.114 -4.381 4.376 850 HD23 LEU 101 2HD2 LEU 101 9.301 -3.377 5.815 851 H GLN 102 H GLN 102 9.481 0.001 1.337 852 HA GLN 102 HA GLN 102 9.716 1.841 3.387 853 HB2 GLN 102 2HB GLN 102 10.679 1.687 0.554 854 HB3 GLN 102 1HB GLN 102 11.041 3.071 1.550 855 HG2 GLN 102 2HG GLN 102 11.682 0.279 2.399 856 HG3 GLN 102 1HG GLN 102 12.795 1.260 1.449 857 HE21 GLN 102 1HE2 GLN 102 14.323 1.184 3.126 858 HE22 GLN 102 2HE2 GLN 102 14.141 2.131 4.562 859 H ASP 103 H ASP 103 7.984 2.017 0.310 860 HA ASP 103 HA ASP 103 7.366 4.767 0.390 861 HB2 ASP 103 2HB ASP 103 6.991 2.861 -1.475 862 HB3 ASP 103 1HB ASP 103 5.372 2.915 -0.799 863 H GLU 104 H GLU 104 5.545 1.912 1.427 864 HA GLU 104 HA GLU 104 3.254 3.316 2.275 865 HB2 GLU 104 2HB GLU 104 4.255 0.630 3.223 866 HB3 GLU 104 1HB GLU 104 2.624 1.253 3.427 867 HG2 GLU 104 2HG GLU 104 3.983 0.554 0.836 868 HG3 GLU 104 1HG GLU 104 2.678 -0.329 1.620 869 H GLN 105 H GLN 105 6.237 2.453 3.934 870 HA GLN 105 HA GLN 105 5.399 3.083 6.534 871 HB2 GLN 105 2HB GLN 105 8.126 3.117 5.247 872 HB3 GLN 105 1HB GLN 105 7.854 3.355 6.962 873 HG2 GLN 105 2HG GLN 105 6.805 1.139 7.088 874 HG3 GLN 105 1HG GLN 105 7.159 0.901 5.378 875 HE21 GLN 105 1HE2 GLN 105 8.042 -0.626 7.691 876 HE22 GLN 105 2HE2 GLN 105 9.769 -0.602 7.645 877 H ARG 106 H ARG 106 6.726 5.057 3.927 878 HA ARG 106 HA ARG 106 7.008 7.480 5.361 879 HB2 ARG 106 2HB ARG 106 6.223 7.180 2.451 880 HB3 ARG 106 1HB ARG 106 6.998 8.565 3.199 881 HG2 ARG 106 2HG ARG 106 9.039 7.389 3.468 882 HG3 ARG 106 1HG ARG 106 8.280 5.857 3.023 883 HD2 ARG 106 2HD ARG 106 7.786 6.840 0.784 884 HD3 ARG 106 1HD ARG 106 8.742 8.246 1.247 885 HE ARG 106 HE ARG 106 10.555 6.417 1.624 886 HH11 ARG 106 1HH1 ARG 106 8.151 6.499 -0.921 887 HH12 ARG 106 2HH1 ARG 106 9.140 5.669 -2.082 888 HH21 ARG 106 1HH2 ARG 106 11.868 5.300 0.129 889 HH22 ARG 106 2HH2 ARG 106 11.272 4.977 -1.472 890 H HIS 107 H HIS 107 4.323 6.055 3.548 891 HA HIS 107 HA HIS 107 2.550 8.214 3.701 892 HB2 HIS 107 2HB HIS 107 1.896 5.252 3.653 893 HB3 HIS 107 1HB HIS 107 0.757 6.552 3.320 894 HD2 HIS 107 2HD HIS 107 3.635 7.812 1.547 895 HE1 HIS 107 1HE HIS 107 1.988 4.997 -1.140 896 HE2 HIS 107 2HE HIS 107 3.842 6.679 -0.780 897 H VAL 108 H VAL 108 2.895 5.388 5.841 898 HA VAL 108 HA VAL 108 0.986 6.158 7.751 899 HB VAL 108 HB VAL 108 3.516 4.563 8.219 900 HG11 VAL 108 1HG1 VAL 108 0.942 4.674 9.785 901 HG12 VAL 108 2HG1 VAL 108 2.501 5.318 10.296 902 HG13 VAL 108 3HG1 VAL 108 2.287 3.579 10.099 903 HG21 VAL 108 3HG2 VAL 108 0.749 3.660 7.424 904 HG22 VAL 108 1HG2 VAL 108 2.079 2.593 7.873 905 HG23 VAL 108 2HG2 VAL 108 2.201 3.593 6.427 906 H GLU 109 H GLU 109 4.460 6.805 7.538 907 HA GLU 109 HA GLU 109 4.823 8.234 9.895 908 HB2 GLU 109 2HB GLU 109 6.161 8.181 7.226 909 HB3 GLU 109 1HB GLU 109 6.632 9.415 8.371 910 HG2 GLU 109 2HG GLU 109 6.694 6.454 8.886 911 HG3 GLU 109 1HG GLU 109 8.086 7.438 8.437 912 H GLU 110 H GLU 110 3.786 9.361 6.702 913 HA GLU 110 HA GLU 110 3.629 12.097 7.418 914 HB2 GLU 110 2HB GLU 110 2.579 10.463 5.120 915 HB3 GLU 110 1HB GLU 110 2.267 12.178 5.253 916 HG2 GLU 110 2HG GLU 110 4.680 12.616 5.266 917 HG3 GLU 110 1HG GLU 110 4.980 10.888 5.118 918 H ILE 111 H ILE 111 1.264 9.462 7.288 919 HA ILE 111 HA ILE 111 -1.008 11.138 7.695 920 HB ILE 111 HB ILE 111 -0.670 8.151 7.941 921 HG12 ILE 111 2HG1 ILE 111 -1.987 9.849 5.813 922 HG13 ILE 111 1HG1 ILE 111 -0.387 9.123 5.680 923 HG21 ILE 111 1HG2 ILE 111 -3.205 9.780 8.030 924 HG22 ILE 111 2HG2 ILE 111 -2.516 8.838 9.353 925 HG23 ILE 111 3HG2 ILE 111 -3.124 8.022 7.912 926 HD11 ILE 111 3HD1 ILE 111 -3.003 7.651 5.926 927 HD12 ILE 111 1HD1 ILE 111 -1.407 6.897 5.859 928 HD13 ILE 111 2HD1 ILE 111 -2.010 7.807 4.476 929 H GLU 112 H GLU 112 1.019 9.245 9.918 930 HA GLU 112 HA GLU 112 -0.769 9.138 12.047 931 HB2 GLU 112 2HB GLU 112 2.212 8.933 11.858 932 HB3 GLU 112 1HB GLU 112 1.392 8.857 13.401 933 HG2 GLU 112 2HG GLU 112 0.010 6.979 12.456 934 HG3 GLU 112 1HG GLU 112 1.117 6.979 11.084 935 H LYS 113 H LYS 113 1.270 11.759 11.010 936 HA LYS 113 HA LYS 113 1.083 13.107 13.549 937 HB2 LYS 113 2HB LYS 113 3.096 13.342 12.107 938 HB3 LYS 113 1HB LYS 113 2.106 14.174 10.913 939 HG2 LYS 113 2HG LYS 113 1.754 16.013 12.328 940 HG3 LYS 113 1HG LYS 113 2.348 15.141 13.741 941 HD2 LYS 113 2HD LYS 113 4.592 15.056 12.659 942 HD3 LYS 113 1HD LYS 113 3.957 16.086 11.373 943 HE2 LYS 113 2HE LYS 113 3.560 17.876 12.894 944 HE3 LYS 113 1HE LYS 113 3.885 16.844 14.286 945 HZ1 LYS 113 3HZ LYS 113 6.187 16.667 13.570 946 HZ2 LYS 113 1HZ LYS 113 5.752 18.292 13.803 947 HZ3 LYS 113 2HZ LYS 113 5.871 17.663 12.234 948 H LYS 114 H LYS 114 -0.937 13.579 14.019 949 HA LYS 114 HA LYS 114 -2.775 14.583 12.018 950 HB2 LYS 114 2HB LYS 114 -3.234 14.240 14.985 951 HB3 LYS 114 1HB LYS 114 -4.459 14.401 13.735 952 HG2 LYS 114 2HG LYS 114 -3.867 12.255 12.815 953 HG3 LYS 114 1HG LYS 114 -2.532 12.098 13.960 954 HD2 LYS 114 2HD LYS 114 -4.231 12.245 15.803 955 HD3 LYS 114 1HD LYS 114 -5.485 12.135 14.566 956 HE2 LYS 114 2HE LYS 114 -5.078 9.951 15.519 957 HE3 LYS 114 1HE LYS 114 -4.541 9.978 13.842 958 HZ1 LYS 114 3HZ LYS 114 -2.279 10.198 14.561 959 HZ2 LYS 114 1HZ LYS 114 -2.967 8.868 15.360 960 HZ3 LYS 114 2HZ LYS 114 -2.750 10.335 16.185 961 H ASN 115 H ASN 115 -1.748 16.573 11.525 962 HA ASN 115 HA ASN 115 -2.598 18.714 13.287 963 HB2 ASN 115 2HB ASN 115 -0.173 18.013 13.878 964 HB3 ASN 115 1HB ASN 115 0.259 18.741 12.336 965 HD21 ASN 115 1HD2 ASN 115 -1.901 20.778 12.654 966 HD22 ASN 115 2HD2 ASN 115 -1.276 21.917 13.801 Start of MODEL 2 1 H1 MET 1 H1 MET 1 -15.728 12.120 8.687 2 H2 MET 1 H2 MET 1 -16.091 12.967 7.257 3 H3 MET 1 H3 MET 1 -17.286 12.758 8.442 4 HA MET 1 HA MET 1 -16.294 15.007 8.377 5 HB2 MET 1 2HB MET 1 -15.998 15.163 10.829 6 HB3 MET 1 1HB MET 1 -17.422 14.237 10.383 7 HG2 MET 1 2HG MET 1 -16.240 12.164 10.839 8 HG3 MET 1 1HG MET 1 -14.781 13.069 11.237 9 HE1 MET 1 2HE MET 1 -18.516 12.364 12.249 10 HE2 MET 1 3HE MET 1 -18.451 14.118 12.107 11 HE3 MET 1 1HE MET 1 -18.677 13.372 13.687 12 H ASP 2 H ASP 2 -14.363 13.916 6.905 13 HA ASP 2 HA ASP 2 -12.151 13.940 6.403 14 HB2 ASP 2 2HB ASP 2 -12.240 16.233 7.386 15 HB3 ASP 2 1HB ASP 2 -11.818 15.546 8.951 16 H GLU 3 H GLU 3 -11.654 11.815 6.565 17 HA GLU 3 HA GLU 3 -11.196 10.688 9.238 18 HB2 GLU 3 2HB GLU 3 -11.564 9.176 6.653 19 HB3 GLU 3 1HB GLU 3 -11.625 8.532 8.286 20 HG2 GLU 3 2HG GLU 3 -13.619 10.358 6.972 21 HG3 GLU 3 1HG GLU 3 -13.847 8.672 7.426 22 H LEU 4 H LEU 4 -9.275 9.763 9.798 23 HA LEU 4 HA LEU 4 -7.164 9.630 7.741 24 HB2 LEU 4 2HB LEU 4 -6.895 10.782 10.526 25 HB3 LEU 4 1HB LEU 4 -5.551 10.464 9.448 26 HG LEU 4 HG LEU 4 -7.782 12.415 8.869 27 HD11 LEU 4 1HD1 LEU 4 -6.400 13.148 10.747 28 HD12 LEU 4 2HD1 LEU 4 -6.124 14.146 9.319 29 HD13 LEU 4 3HD1 LEU 4 -4.948 12.911 9.774 30 HD21 LEU 4 3HD2 LEU 4 -6.296 13.170 7.065 31 HD22 LEU 4 1HD2 LEU 4 -6.785 11.486 6.856 32 HD23 LEU 4 2HD2 LEU 4 -5.172 11.869 7.461 33 H ARG 5 H ARG 5 -8.514 8.416 10.746 34 HA ARG 5 HA ARG 5 -6.409 6.599 11.322 35 HB2 ARG 5 2HB ARG 5 -8.050 7.407 12.993 36 HB3 ARG 5 1HB ARG 5 -9.301 6.472 12.184 37 HG2 ARG 5 2HG ARG 5 -8.194 4.417 12.724 38 HG3 ARG 5 1HG ARG 5 -6.812 5.287 13.394 39 HD2 ARG 5 2HD ARG 5 -9.636 5.303 14.456 40 HD3 ARG 5 1HD ARG 5 -8.251 4.488 15.182 41 HE ARG 5 HE ARG 5 -7.303 6.883 15.293 42 HH11 ARG 5 1HH1 ARG 5 -10.673 6.002 15.682 43 HH12 ARG 5 2HH1 ARG 5 -11.049 7.349 16.711 44 HH21 ARG 5 1HH2 ARG 5 -7.802 8.672 16.663 45 HH22 ARG 5 2HH2 ARG 5 -9.439 8.888 17.219 46 H GLU 6 H GLU 6 -9.497 6.271 9.627 47 HA GLU 6 HA GLU 6 -9.406 3.516 9.114 48 HB2 GLU 6 2HB GLU 6 -11.350 5.089 8.748 49 HB3 GLU 6 1HB GLU 6 -10.541 5.647 7.292 50 HG2 GLU 6 2HG GLU 6 -12.200 4.070 6.665 51 HG3 GLU 6 1HG GLU 6 -10.624 3.317 6.431 52 H LEU 7 H LEU 7 -7.911 6.252 7.558 53 HA LEU 7 HA LEU 7 -6.995 4.947 5.221 54 HB2 LEU 7 2HB LEU 7 -6.387 7.514 6.638 55 HB3 LEU 7 1HB LEU 7 -5.370 6.999 5.320 56 HG LEU 7 HG LEU 7 -7.321 6.999 3.811 57 HD11 LEU 7 1HD1 LEU 7 -8.811 8.126 6.177 58 HD12 LEU 7 2HD1 LEU 7 -9.073 6.542 5.442 59 HD13 LEU 7 3HD1 LEU 7 -9.422 8.008 4.524 60 HD21 LEU 7 3HD2 LEU 7 -7.623 9.434 3.719 61 HD22 LEU 7 1HD2 LEU 7 -5.934 8.979 3.943 62 HD23 LEU 7 2HD2 LEU 7 -6.875 9.575 5.311 63 H LEU 8 H LEU 8 -5.542 5.691 8.351 64 HA LEU 8 HA LEU 8 -2.918 4.863 7.864 65 HB2 LEU 8 2HB LEU 8 -3.789 6.113 9.853 66 HB3 LEU 8 1HB LEU 8 -4.446 4.609 10.454 67 HG LEU 8 HG LEU 8 -2.157 3.671 10.547 68 HD11 LEU 8 1HD1 LEU 8 -1.320 6.483 9.853 69 HD12 LEU 8 2HD1 LEU 8 -1.117 5.054 8.839 70 HD13 LEU 8 3HD1 LEU 8 -0.246 5.182 10.366 71 HD21 LEU 8 3HD2 LEU 8 -2.575 6.230 12.081 72 HD22 LEU 8 1HD2 LEU 8 -1.450 4.941 12.511 73 HD23 LEU 8 2HD2 LEU 8 -3.188 4.638 12.528 74 H LYS 9 H LYS 9 -5.710 3.049 9.013 75 HA LYS 9 HA LYS 9 -4.408 0.620 9.537 76 HB2 LYS 9 2HB LYS 9 -7.264 1.301 8.877 77 HB3 LYS 9 1HB LYS 9 -6.753 -0.363 9.132 78 HG2 LYS 9 2HG LYS 9 -6.451 1.878 11.121 79 HG3 LYS 9 1HG LYS 9 -7.697 0.627 11.156 80 HD2 LYS 9 2HD LYS 9 -5.936 -1.086 11.338 81 HD3 LYS 9 1HD LYS 9 -4.719 0.190 11.369 82 HE2 LYS 9 2HE LYS 9 -5.698 1.077 13.420 83 HE3 LYS 9 1HE LYS 9 -6.930 -0.184 13.380 84 HZ1 LYS 9 3HZ LYS 9 -5.142 -1.841 13.557 85 HZ2 LYS 9 1HZ LYS 9 -5.192 -0.797 14.893 86 HZ3 LYS 9 2HZ LYS 9 -4.004 -0.591 13.703 87 H ALA 10 H ALA 10 -5.709 1.930 6.537 88 HA ALA 10 HA ALA 10 -5.655 -0.439 5.015 89 HB1 ALA 10 1HB ALA 10 -5.283 2.408 4.080 90 HB2 ALA 10 2HB ALA 10 -6.828 1.583 4.287 91 HB3 ALA 10 3HB ALA 10 -5.688 1.029 3.059 92 H GLU 11 H GLU 11 -3.231 2.108 5.483 93 HA GLU 11 HA GLU 11 -1.241 1.019 3.819 94 HB2 GLU 11 2HB GLU 11 -0.846 2.674 6.319 95 HB3 GLU 11 1HB GLU 11 0.319 2.455 5.023 96 HG2 GLU 11 2HG GLU 11 -2.334 3.850 4.805 97 HG3 GLU 11 1HG GLU 11 -0.753 4.624 4.889 98 H GLN 12 H GLN 12 -1.838 0.688 7.296 99 HA GLN 12 HA GLN 12 0.451 -0.880 7.815 100 HB2 GLN 12 2HB GLN 12 -2.082 -0.375 9.344 101 HB3 GLN 12 1HB GLN 12 -0.834 -1.449 9.958 102 HG2 GLN 12 2HG GLN 12 0.787 0.406 9.818 103 HG3 GLN 12 1HG GLN 12 -0.516 1.471 9.294 104 HE21 GLN 12 1HE2 GLN 12 -0.197 2.810 11.069 105 HE22 GLN 12 2HE2 GLN 12 -0.692 2.367 12.665 106 H GLN 13 H GLN 13 -2.747 -1.717 6.718 107 HA GLN 13 HA GLN 13 -2.691 -4.470 7.372 108 HB2 GLN 13 2HB GLN 13 -4.603 -2.852 6.452 109 HB3 GLN 13 1HB GLN 13 -4.090 -3.515 4.911 110 HG2 GLN 13 2HG GLN 13 -5.117 -5.076 7.272 111 HG3 GLN 13 1HG GLN 13 -5.999 -4.713 5.792 112 HE21 GLN 13 1HE2 GLN 13 -5.415 -5.764 3.869 113 HE22 GLN 13 2HE2 GLN 13 -4.524 -7.249 3.902 114 H GLY 14 H GLY 14 -1.751 -2.663 4.491 115 HA2 GLY 14 2HA GLY 14 -0.941 -4.940 2.991 116 HA3 GLY 14 1HA GLY 14 -0.526 -3.276 2.631 117 H ILE 15 H ILE 15 0.749 -2.761 5.181 118 HA ILE 15 HA ILE 15 3.380 -3.481 4.591 119 HB ILE 15 HB ILE 15 2.204 -2.679 7.261 120 HG12 ILE 15 2HG1 ILE 15 3.678 -1.074 5.160 121 HG13 ILE 15 1HG1 ILE 15 1.945 -1.005 5.466 122 HG21 ILE 15 1HG2 ILE 15 5.090 -2.800 6.381 123 HG22 ILE 15 2HG2 ILE 15 4.320 -3.829 7.587 124 HG23 ILE 15 3HG2 ILE 15 4.514 -2.103 7.896 125 HD11 ILE 15 3HD1 ILE 15 3.099 0.882 6.463 126 HD12 ILE 15 1HD1 ILE 15 4.116 -0.215 7.392 127 HD13 ILE 15 2HD1 ILE 15 2.382 -0.142 7.708 128 H LYS 16 H LYS 16 1.018 -5.006 6.746 129 HA LYS 16 HA LYS 16 2.706 -6.937 7.891 130 HB2 LYS 16 2HB LYS 16 0.271 -6.300 8.476 131 HB3 LYS 16 1HB LYS 16 -0.186 -7.429 7.214 132 HG2 LYS 16 2HG LYS 16 1.593 -8.259 9.478 133 HG3 LYS 16 1HG LYS 16 -0.159 -8.252 9.635 134 HD2 LYS 16 2HD LYS 16 -0.274 -9.747 7.638 135 HD3 LYS 16 1HD LYS 16 1.489 -9.836 7.667 136 HE2 LYS 16 2HE LYS 16 1.397 -10.765 9.935 137 HE3 LYS 16 1HE LYS 16 -0.362 -10.681 9.896 138 HZ1 LYS 16 3HZ LYS 16 0.263 -12.895 9.392 139 HZ2 LYS 16 1HZ LYS 16 1.394 -12.401 8.230 140 HZ3 LYS 16 2HZ LYS 16 -0.263 -12.201 7.937 141 H ILE 17 H ILE 17 0.649 -7.044 5.016 142 HA ILE 17 HA ILE 17 1.322 -9.671 4.182 143 HB ILE 17 HB ILE 17 0.357 -7.287 2.557 144 HG12 ILE 17 2HG1 ILE 17 -1.178 -9.603 3.768 145 HG13 ILE 17 1HG1 ILE 17 -1.137 -7.965 4.414 146 HG21 ILE 17 1HG2 ILE 17 1.354 -8.970 1.108 147 HG22 ILE 17 2HG2 ILE 17 -0.398 -8.963 0.918 148 HG23 ILE 17 3HG2 ILE 17 0.382 -10.229 1.865 149 HD11 ILE 17 3HD1 ILE 17 -2.235 -8.781 1.735 150 HD12 ILE 17 1HD1 ILE 17 -2.193 -7.139 2.377 151 HD13 ILE 17 2HD1 ILE 17 -3.178 -8.368 3.169 152 H LEU 18 H LEU 18 2.701 -6.489 3.344 153 HA LEU 18 HA LEU 18 4.526 -7.403 1.423 154 HB2 LEU 18 2HB LEU 18 4.698 -5.060 3.317 155 HB3 LEU 18 1HB LEU 18 5.816 -5.331 1.994 156 HG LEU 18 HG LEU 18 2.843 -4.937 1.661 157 HD11 LEU 18 1HD1 LEU 18 5.115 -3.004 1.229 158 HD12 LEU 18 2HD1 LEU 18 3.892 -2.911 2.497 159 HD13 LEU 18 3HD1 LEU 18 3.427 -2.721 0.806 160 HD21 LEU 18 3HD2 LEU 18 3.846 -6.258 -0.121 161 HD22 LEU 18 1HD2 LEU 18 5.089 -5.027 -0.351 162 HD23 LEU 18 2HD2 LEU 18 3.404 -4.655 -0.708 163 H LYS 19 H LYS 19 4.808 -7.151 4.937 164 HA LYS 19 HA LYS 19 7.464 -8.018 5.163 165 HB2 LYS 19 2HB LYS 19 5.088 -7.940 6.965 166 HB3 LYS 19 1HB LYS 19 6.537 -8.778 7.475 167 HG2 LYS 19 2HG LYS 19 6.919 -6.061 6.416 168 HG3 LYS 19 1HG LYS 19 6.075 -6.195 7.951 169 HD2 LYS 19 2HD LYS 19 8.413 -5.924 8.391 170 HD3 LYS 19 1HD LYS 19 7.950 -7.571 8.812 171 HE2 LYS 19 2HE LYS 19 8.809 -8.308 6.593 172 HE3 LYS 19 1HE LYS 19 9.395 -6.664 6.324 173 HZ1 LYS 19 3HZ LYS 19 11.169 -8.029 7.159 174 HZ2 LYS 19 1HZ LYS 19 10.238 -8.507 8.494 175 HZ3 LYS 19 2HZ LYS 19 10.746 -6.894 8.346 176 H GLU 20 H GLU 20 4.411 -9.694 4.886 177 HA GLU 20 HA GLU 20 5.297 -12.297 5.451 178 HB2 GLU 20 2HB GLU 20 2.948 -11.101 3.996 179 HB3 GLU 20 1HB GLU 20 3.091 -12.802 4.282 180 HG2 GLU 20 2HG GLU 20 2.875 -10.643 6.333 181 HG3 GLU 20 1HG GLU 20 1.664 -11.858 5.938 182 H VAL 21 H VAL 21 4.718 -10.545 2.423 183 HA VAL 21 HA VAL 21 5.444 -12.653 0.682 184 HB VAL 21 HB VAL 21 5.556 -9.678 0.127 185 HG11 VAL 21 1HG1 VAL 21 5.250 -10.331 -2.220 186 HG12 VAL 21 2HG1 VAL 21 5.343 -12.029 -1.752 187 HG13 VAL 21 3HG1 VAL 21 6.745 -10.981 -1.547 188 HG21 VAL 21 3HG2 VAL 21 3.294 -9.983 -0.816 189 HG22 VAL 21 1HG2 VAL 21 3.355 -10.283 0.921 190 HG23 VAL 21 2HG2 VAL 21 3.287 -11.637 -0.208 191 H LEU 22 H LEU 22 7.292 -10.038 2.163 192 HA LEU 22 HA LEU 22 9.616 -10.226 0.633 193 HB2 LEU 22 2HB LEU 22 9.023 -8.444 2.310 194 HB3 LEU 22 1HB LEU 22 9.477 -9.566 3.573 195 HG LEU 22 HG LEU 22 11.779 -9.633 2.652 196 HD11 LEU 22 1HD1 LEU 22 12.457 -7.957 1.015 197 HD12 LEU 22 2HD1 LEU 22 10.780 -7.436 0.844 198 HD13 LEU 22 3HD1 LEU 22 11.256 -9.058 0.342 199 HD21 LEU 22 3HD2 LEU 22 10.725 -6.895 3.363 200 HD22 LEU 22 1HD2 LEU 22 12.417 -7.386 3.411 201 HD23 LEU 22 2HD2 LEU 22 11.251 -8.143 4.492 202 H LYS 23 H LYS 23 8.581 -12.056 3.462 203 HA LYS 23 HA LYS 23 11.007 -13.529 3.793 204 HB2 LYS 23 2HB LYS 23 9.184 -13.267 5.515 205 HB3 LYS 23 1HB LYS 23 8.212 -14.372 4.567 206 HG2 LYS 23 2HG LYS 23 10.142 -16.014 4.792 207 HG3 LYS 23 1HG LYS 23 10.752 -14.939 6.052 208 HD2 LYS 23 2HD LYS 23 8.734 -15.220 7.335 209 HD3 LYS 23 1HD LYS 23 7.990 -16.149 6.032 210 HE2 LYS 23 2HE LYS 23 9.885 -17.800 6.308 211 HE3 LYS 23 1HE LYS 23 10.301 -16.936 7.787 212 HZ1 LYS 23 3HZ LYS 23 7.694 -18.240 7.212 213 HZ2 LYS 23 1HZ LYS 23 8.079 -17.398 8.636 214 HZ3 LYS 23 2HZ LYS 23 8.890 -18.840 8.255 215 H LYS 24 H LYS 24 7.875 -14.253 2.407 216 HA LYS 24 HA LYS 24 8.408 -16.862 1.555 217 HB2 LYS 24 2HB LYS 24 6.379 -14.821 0.684 218 HB3 LYS 24 1HB LYS 24 6.401 -16.451 0.035 219 HG2 LYS 24 2HG LYS 24 6.154 -17.329 2.338 220 HG3 LYS 24 1HG LYS 24 6.030 -15.668 2.920 221 HD2 LYS 24 2HD LYS 24 4.038 -15.330 1.560 222 HD3 LYS 24 1HD LYS 24 4.175 -16.974 0.931 223 HE2 LYS 24 2HE LYS 24 3.899 -17.844 3.217 224 HE3 LYS 24 1HE LYS 24 3.703 -16.193 3.806 225 HZ1 LYS 24 3HZ LYS 24 1.576 -17.312 3.467 226 HZ2 LYS 24 1HZ LYS 24 1.935 -17.522 1.820 227 HZ3 LYS 24 2HZ LYS 24 1.730 -15.961 2.461 228 H ALA 25 H ALA 25 9.235 -13.836 0.096 229 HA ALA 25 HA ALA 25 9.522 -14.610 -2.573 230 HB1 ALA 25 1HB ALA 25 11.022 -12.711 -2.806 231 HB2 ALA 25 2HB ALA 25 11.168 -12.595 -1.053 232 HB3 ALA 25 3HB ALA 25 9.617 -12.282 -1.832 233 H LYS 26 H LYS 26 11.827 -14.806 0.124 234 HA LYS 26 HA LYS 26 13.881 -15.910 -1.545 235 HB2 LYS 26 2HB LYS 26 15.214 -16.143 0.429 236 HB3 LYS 26 1HB LYS 26 14.412 -14.581 0.481 237 HG2 LYS 26 2HG LYS 26 12.913 -15.298 2.158 238 HG3 LYS 26 1HG LYS 26 13.362 -16.993 1.932 239 HD2 LYS 26 2HD LYS 26 15.182 -14.814 2.956 240 HD3 LYS 26 1HD LYS 26 14.392 -16.043 3.949 241 HE2 LYS 26 2HE LYS 26 15.602 -17.796 2.815 242 HE3 LYS 26 1HE LYS 26 16.304 -16.630 1.693 243 HZ1 LYS 26 3HZ LYS 26 17.451 -15.596 3.563 244 HZ2 LYS 26 1HZ LYS 26 17.875 -17.230 3.407 245 HZ3 LYS 26 2HZ LYS 26 16.800 -16.749 4.616 246 H GLU 27 H GLU 27 11.311 -17.185 0.436 247 HA GLU 27 HA GLU 27 12.192 -19.844 0.653 248 HB2 GLU 27 2HB GLU 27 9.382 -18.741 0.495 249 HB3 GLU 27 1HB GLU 27 9.769 -20.406 0.916 250 HG2 GLU 27 2HG GLU 27 11.084 -19.562 2.841 251 HG3 GLU 27 1HG GLU 27 10.544 -17.930 2.447 252 H GLY 28 H GLY 28 10.372 -18.176 -1.883 253 HA2 GLY 28 2HA GLY 28 10.750 -18.454 -4.153 254 HA3 GLY 28 1HA GLY 28 11.730 -19.861 -3.796 255 H ASP 29 H ASP 29 8.292 -19.214 -3.032 256 HA ASP 29 HA ASP 29 7.646 -21.510 -4.757 257 HB2 ASP 29 2HB ASP 29 6.878 -21.682 -2.397 258 HB3 ASP 29 1HB ASP 29 5.875 -20.259 -2.651 259 H GLU 30 H GLU 30 7.058 -20.940 -6.700 260 HA GLU 30 HA GLU 30 6.524 -18.240 -7.366 261 HB2 GLU 30 2HB GLU 30 6.326 -20.763 -9.008 262 HB3 GLU 30 1HB GLU 30 6.082 -19.149 -9.670 263 HG2 GLU 30 2HG GLU 30 8.374 -18.560 -8.887 264 HG3 GLU 30 1HG GLU 30 8.593 -20.247 -8.429 265 H GLN 31 H GLN 31 4.410 -20.955 -6.718 266 HA GLN 31 HA GLN 31 2.071 -19.722 -7.795 267 HB2 GLN 31 2HB GLN 31 2.397 -21.946 -5.778 268 HB3 GLN 31 1HB GLN 31 0.846 -21.419 -6.413 269 HG2 GLN 31 2HG GLN 31 1.646 -21.980 -8.691 270 HG3 GLN 31 1HG GLN 31 3.120 -22.627 -7.971 271 HE21 GLN 31 1HE2 GLN 31 1.076 -23.960 -9.560 272 HE22 GLN 31 2HE2 GLN 31 0.484 -25.262 -8.580 273 H GLU 32 H GLU 32 3.485 -19.997 -4.555 274 HA GLU 32 HA GLU 32 1.606 -18.413 -3.212 275 HB2 GLU 32 2HB GLU 32 4.379 -19.336 -2.726 276 HB3 GLU 32 1HB GLU 32 3.850 -17.939 -1.813 277 HG2 GLU 32 2HG GLU 32 2.331 -20.525 -1.902 278 HG3 GLU 32 1HG GLU 32 3.549 -20.155 -0.685 279 H LEU 33 H LEU 33 4.584 -17.571 -4.946 280 HA LEU 33 HA LEU 33 4.671 -14.860 -4.269 281 HB2 LEU 33 2HB LEU 33 5.587 -16.268 -6.771 282 HB3 LEU 33 1HB LEU 33 5.940 -14.586 -6.422 283 HG LEU 33 HG LEU 33 6.840 -16.958 -4.784 284 HD11 LEU 33 1HD1 LEU 33 8.012 -16.754 -6.919 285 HD12 LEU 33 2HD1 LEU 33 9.071 -16.364 -5.566 286 HD13 LEU 33 3HD1 LEU 33 8.393 -15.070 -6.552 287 HD21 LEU 33 3HD2 LEU 33 8.166 -15.314 -3.535 288 HD22 LEU 33 1HD2 LEU 33 6.435 -15.026 -3.367 289 HD23 LEU 33 2HD2 LEU 33 7.398 -14.013 -4.441 290 H ALA 34 H ALA 34 3.114 -16.427 -7.065 291 HA ALA 34 HA ALA 34 2.022 -14.052 -8.145 292 HB1 ALA 34 1HB ALA 34 0.550 -15.550 -9.423 293 HB2 ALA 34 2HB ALA 34 1.070 -16.905 -8.420 294 HB3 ALA 34 3HB ALA 34 2.231 -16.086 -9.468 295 H ARG 35 H ARG 35 0.838 -16.414 -5.844 296 HA ARG 35 HA ARG 35 -1.776 -15.418 -5.503 297 HB2 ARG 35 2HB ARG 35 -0.871 -17.648 -4.781 298 HB3 ARG 35 1HB ARG 35 -0.037 -16.830 -3.475 299 HG2 ARG 35 2HG ARG 35 -2.107 -16.198 -2.461 300 HG3 ARG 35 1HG ARG 35 -3.020 -16.812 -3.844 301 HD2 ARG 35 2HD ARG 35 -1.283 -18.460 -2.004 302 HD3 ARG 35 1HD ARG 35 -3.044 -18.390 -1.959 303 HE ARG 35 HE ARG 35 -3.008 -19.369 -4.228 304 HH11 ARG 35 1HH1 ARG 35 -0.142 -19.709 -2.222 305 HH12 ARG 35 2HH1 ARG 35 0.374 -21.183 -3.001 306 HH21 ARG 35 1HH2 ARG 35 -2.321 -21.308 -5.248 307 HH22 ARG 35 2HH2 ARG 35 -0.855 -22.077 -4.710 308 H LEU 36 H LEU 36 1.272 -14.741 -3.874 309 HA LEU 36 HA LEU 36 0.273 -12.913 -1.961 310 HB2 LEU 36 2HB LEU 36 3.013 -13.257 -3.167 311 HB3 LEU 36 1HB LEU 36 2.664 -12.157 -1.847 312 HG LEU 36 HG LEU 36 2.264 -15.143 -1.733 313 HD11 LEU 36 1HD1 LEU 36 4.257 -15.156 -0.316 314 HD12 LEU 36 2HD1 LEU 36 4.484 -13.435 -0.623 315 HD13 LEU 36 3HD1 LEU 36 4.619 -14.590 -1.946 316 HD21 LEU 36 3HD2 LEU 36 2.185 -13.034 0.420 317 HD22 LEU 36 1HD2 LEU 36 2.028 -14.772 0.668 318 HD23 LEU 36 2HD2 LEU 36 0.795 -13.894 -0.237 319 H ASN 37 H ASN 37 1.656 -12.493 -5.198 320 HA ASN 37 HA ASN 37 1.679 -9.687 -5.205 321 HB2 ASN 37 2HB ASN 37 2.763 -11.205 -6.916 322 HB3 ASN 37 1HB ASN 37 1.168 -11.433 -7.622 323 HD21 ASN 37 1HD2 ASN 37 1.863 -10.503 -9.570 324 HD22 ASN 37 2HD2 ASN 37 2.099 -8.800 -9.732 325 H GLN 38 H GLN 38 -0.819 -11.985 -6.288 326 HA GLN 38 HA GLN 38 -2.830 -10.213 -6.921 327 HB2 GLN 38 2HB GLN 38 -2.622 -12.795 -7.107 328 HB3 GLN 38 1HB GLN 38 -3.306 -12.805 -5.485 329 HG2 GLN 38 2HG GLN 38 -4.774 -11.094 -7.256 330 HG3 GLN 38 1HG GLN 38 -4.657 -12.737 -7.871 331 HE21 GLN 38 1HE2 GLN 38 -6.897 -13.034 -7.549 332 HE22 GLN 38 2HE2 GLN 38 -7.551 -13.304 -5.965 333 H GLU 39 H GLU 39 -1.939 -11.627 -3.790 334 HA GLU 39 HA GLU 39 -3.987 -10.555 -2.214 335 HB2 GLU 39 2HB GLU 39 -2.319 -12.310 -1.537 336 HB3 GLU 39 1HB GLU 39 -1.122 -11.035 -1.376 337 HG2 GLU 39 2HG GLU 39 -1.839 -11.354 0.789 338 HG3 GLU 39 1HG GLU 39 -2.795 -9.970 0.262 339 H ILE 40 H ILE 40 -0.775 -9.257 -3.001 340 HA ILE 40 HA ILE 40 -0.912 -6.921 -1.456 341 HB ILE 40 HB ILE 40 0.587 -7.405 -4.036 342 HG12 ILE 40 2HG1 ILE 40 1.523 -7.541 -1.159 343 HG13 ILE 40 1HG1 ILE 40 1.139 -8.939 -2.160 344 HG21 ILE 40 1HG2 ILE 40 0.341 -5.023 -3.619 345 HG22 ILE 40 2HG2 ILE 40 2.010 -5.528 -3.358 346 HG23 ILE 40 3HG2 ILE 40 0.953 -5.233 -1.979 347 HD11 ILE 40 3HD1 ILE 40 3.324 -6.938 -2.693 348 HD12 ILE 40 1HD1 ILE 40 2.939 -8.341 -3.691 349 HD13 ILE 40 2HD1 ILE 40 3.538 -8.566 -2.045 350 H VAL 41 H VAL 41 -1.673 -7.413 -4.907 351 HA VAL 41 HA VAL 41 -2.527 -4.784 -5.422 352 HB VAL 41 HB VAL 41 -3.446 -7.334 -6.769 353 HG11 VAL 41 1HG1 VAL 41 -3.559 -4.476 -7.735 354 HG12 VAL 41 2HG1 VAL 41 -4.937 -5.465 -7.257 355 HG13 VAL 41 3HG1 VAL 41 -3.992 -5.901 -8.679 356 HG21 VAL 41 3HG2 VAL 41 -1.025 -7.077 -6.841 357 HG22 VAL 41 1HG2 VAL 41 -1.207 -5.443 -7.478 358 HG23 VAL 41 2HG2 VAL 41 -1.729 -6.826 -8.438 359 H LYS 42 H LYS 42 -4.223 -7.614 -4.222 360 HA LYS 42 HA LYS 42 -6.852 -6.672 -4.243 361 HB2 LYS 42 2HB LYS 42 -6.130 -9.002 -3.766 362 HB3 LYS 42 1HB LYS 42 -5.510 -8.469 -2.214 363 HG2 LYS 42 2HG LYS 42 -7.888 -7.722 -1.699 364 HG3 LYS 42 1HG LYS 42 -8.360 -8.666 -3.116 365 HD2 LYS 42 2HD LYS 42 -6.948 -9.676 -0.646 366 HD3 LYS 42 1HD LYS 42 -8.603 -10.033 -1.144 367 HE2 LYS 42 2HE LYS 42 -7.873 -11.315 -2.993 368 HE3 LYS 42 1HE LYS 42 -6.214 -10.735 -2.831 369 HZ1 LYS 42 3HZ LYS 42 -7.644 -12.492 -0.908 370 HZ2 LYS 42 1HZ LYS 42 -6.066 -11.904 -0.709 371 HZ3 LYS 42 2HZ LYS 42 -6.418 -12.973 -1.977 372 H ALA 43 H ALA 43 -4.333 -6.425 -1.760 373 HA ALA 43 HA ALA 43 -5.909 -5.022 0.135 374 HB1 ALA 43 1HB ALA 43 -2.904 -5.150 -0.115 375 HB2 ALA 43 2HB ALA 43 -3.913 -6.300 0.762 376 HB3 ALA 43 3HB ALA 43 -3.809 -4.626 1.306 377 H GLU 44 H GLU 44 -3.464 -3.959 -2.220 378 HA GLU 44 HA GLU 44 -3.478 -1.228 -1.601 379 HB2 GLU 44 2HB GLU 44 -2.993 -2.586 -4.266 380 HB3 GLU 44 1HB GLU 44 -2.617 -0.905 -3.916 381 HG2 GLU 44 2HG GLU 44 -1.455 -3.137 -2.298 382 HG3 GLU 44 1HG GLU 44 -0.733 -2.628 -3.822 383 H LYS 45 H LYS 45 -5.417 -3.067 -3.929 384 HA LYS 45 HA LYS 45 -6.879 -0.946 -5.016 385 HB2 LYS 45 2HB LYS 45 -6.867 -3.185 -5.992 386 HB3 LYS 45 1HB LYS 45 -7.685 -3.829 -4.580 387 HG2 LYS 45 2HG LYS 45 -8.997 -1.676 -6.179 388 HG3 LYS 45 1HG LYS 45 -9.006 -3.336 -6.772 389 HD2 LYS 45 2HD LYS 45 -10.044 -2.422 -4.084 390 HD3 LYS 45 1HD LYS 45 -11.036 -2.797 -5.493 391 HE2 LYS 45 2HE LYS 45 -10.203 -5.100 -5.455 392 HE3 LYS 45 1HE LYS 45 -9.217 -4.721 -4.046 393 HZ1 LYS 45 3HZ LYS 45 -11.161 -4.357 -2.748 394 HZ2 LYS 45 1HZ LYS 45 -11.354 -5.845 -3.540 395 HZ3 LYS 45 2HZ LYS 45 -12.176 -4.476 -4.105 396 H GLN 46 H GLN 46 -7.437 -2.909 -2.138 397 HA GLN 46 HA GLN 46 -9.993 -1.829 -1.544 398 HB2 GLN 46 2HB GLN 46 -8.944 -3.998 -0.666 399 HB3 GLN 46 1HB GLN 46 -8.080 -2.982 0.479 400 HG2 GLN 46 2HG GLN 46 -10.072 -3.927 1.484 401 HG3 GLN 46 1HG GLN 46 -10.189 -2.171 1.380 402 HE21 GLN 46 1HE2 GLN 46 -12.420 -2.203 1.492 403 HE22 GLN 46 2HE2 GLN 46 -13.410 -2.720 0.172 404 H GLY 47 H GLY 47 -6.705 -1.073 -0.498 405 HA2 GLY 47 2HA GLY 47 -7.316 0.992 1.307 406 HA3 GLY 47 1HA GLY 47 -5.808 0.824 0.423 407 H VAL 48 H VAL 48 -6.627 1.111 -2.174 408 HA VAL 48 HA VAL 48 -6.730 3.869 -2.530 409 HB VAL 48 HB VAL 48 -7.497 1.648 -4.434 410 HG11 VAL 48 1HG1 VAL 48 -8.593 3.711 -5.139 411 HG12 VAL 48 2HG1 VAL 48 -7.283 3.281 -6.242 412 HG13 VAL 48 3HG1 VAL 48 -7.053 4.568 -5.055 413 HG21 VAL 48 3HG2 VAL 48 -5.169 1.624 -3.736 414 HG22 VAL 48 1HG2 VAL 48 -4.999 3.320 -4.186 415 HG23 VAL 48 2HG2 VAL 48 -5.301 2.104 -5.427 416 H LYS 49 H LYS 49 -9.358 1.504 -2.444 417 HA LYS 49 HA LYS 49 -11.429 3.211 -3.264 418 HB2 LYS 49 2HB LYS 49 -11.142 0.549 -2.231 419 HB3 LYS 49 1HB LYS 49 -12.468 1.355 -1.412 420 HG2 LYS 49 2HG LYS 49 -13.467 1.898 -3.587 421 HG3 LYS 49 1HG LYS 49 -12.147 1.043 -4.388 422 HD2 LYS 49 2HD LYS 49 -12.806 -1.024 -3.237 423 HD3 LYS 49 1HD LYS 49 -14.140 -0.160 -2.468 424 HE2 LYS 49 2HE LYS 49 -13.776 -0.511 -5.443 425 HE3 LYS 49 1HE LYS 49 -14.860 -1.465 -4.434 426 HZ1 LYS 49 3HZ LYS 49 -15.997 0.343 -5.604 427 HZ2 LYS 49 1HZ LYS 49 -15.031 1.476 -4.799 428 HZ3 LYS 49 2HZ LYS 49 -16.110 0.516 -3.920 429 H VAL 50 H VAL 50 -10.094 2.491 -0.067 430 HA VAL 50 HA VAL 50 -11.959 3.987 1.434 431 HB VAL 50 HB VAL 50 -9.077 3.347 2.107 432 HG11 VAL 50 1HG1 VAL 50 -9.759 3.674 4.438 433 HG12 VAL 50 2HG1 VAL 50 -11.362 4.171 3.897 434 HG13 VAL 50 3HG1 VAL 50 -9.951 5.148 3.493 435 HG21 VAL 50 3HG2 VAL 50 -10.002 1.462 3.366 436 HG22 VAL 50 1HG2 VAL 50 -10.390 1.345 1.647 437 HG23 VAL 50 2HG2 VAL 50 -11.622 1.878 2.795 438 H TYR 51 H TYR 51 -8.841 4.809 -0.018 439 HA TYR 51 HA TYR 51 -8.782 7.464 0.991 440 HB2 TYR 51 2HB TYR 51 -7.273 6.044 -1.184 441 HB3 TYR 51 1HB TYR 51 -7.068 7.771 -0.911 442 HD1 TYR 51 1HD TYR 51 -6.720 4.446 0.668 443 HD2 TYR 51 2HD TYR 51 -5.735 8.573 0.852 444 HE1 TYR 51 1HE TYR 51 -5.092 3.968 2.442 445 HE2 TYR 51 2HE TYR 51 -4.103 8.110 2.630 446 HH TYR 51 HH TYR 51 -3.083 4.955 3.384 447 H LYS 52 H LYS 52 -9.958 6.039 -2.030 448 HA LYS 52 HA LYS 52 -10.539 8.432 -3.378 449 HB2 LYS 52 2HB LYS 52 -11.730 5.672 -3.521 450 HB3 LYS 52 1HB LYS 52 -12.377 6.985 -4.490 451 HG2 LYS 52 2HG LYS 52 -9.540 5.976 -4.562 452 HG3 LYS 52 1HG LYS 52 -10.798 5.633 -5.753 453 HD2 LYS 52 2HD LYS 52 -10.966 8.043 -6.235 454 HD3 LYS 52 1HD LYS 52 -9.664 8.347 -5.082 455 HE2 LYS 52 2HE LYS 52 -8.753 8.335 -7.306 456 HE3 LYS 52 1HE LYS 52 -8.177 6.915 -6.438 457 HZ1 LYS 52 3HZ LYS 52 -8.874 6.451 -8.742 458 HZ2 LYS 52 1HZ LYS 52 -10.462 6.897 -8.338 459 HZ3 LYS 52 2HZ LYS 52 -9.747 5.548 -7.602 460 H GLU 53 H GLU 53 -12.310 6.649 -0.931 461 HA GLU 53 HA GLU 53 -14.733 8.025 -1.036 462 HB2 GLU 53 2HB GLU 53 -14.377 5.884 0.047 463 HB3 GLU 53 1HB GLU 53 -13.238 6.606 1.163 464 HG2 GLU 53 2HG GLU 53 -15.223 6.296 2.315 465 HG3 GLU 53 1HG GLU 53 -15.083 8.020 2.001 466 H ALA 54 H ALA 54 -11.873 8.391 1.012 467 HA ALA 54 HA ALA 54 -12.897 10.634 2.436 468 HB1 ALA 54 1HB ALA 54 -11.264 9.073 3.401 469 HB2 ALA 54 2HB ALA 54 -10.718 10.748 3.487 470 HB3 ALA 54 3HB ALA 54 -10.048 9.663 2.268 471 H ALA 55 H ALA 55 -10.828 10.298 -0.385 472 HA ALA 55 HA ALA 55 -9.699 12.849 -0.441 473 HB1 ALA 55 1HB ALA 55 -10.479 11.131 -2.793 474 HB2 ALA 55 2HB ALA 55 -8.964 11.036 -1.897 475 HB3 ALA 55 3HB ALA 55 -9.349 12.483 -2.828 476 H GLU 56 H GLU 56 -12.804 11.731 -1.715 477 HA GLU 56 HA GLU 56 -13.368 14.362 -2.807 478 HB2 GLU 56 2HB GLU 56 -14.980 11.810 -2.765 479 HB3 GLU 56 1HB GLU 56 -15.513 13.300 -3.531 480 HG2 GLU 56 2HG GLU 56 -13.060 11.719 -4.269 481 HG3 GLU 56 1HG GLU 56 -14.588 11.731 -5.148 482 H LYS 57 H LYS 57 -13.388 13.224 0.194 483 HA LYS 57 HA LYS 57 -15.673 14.881 0.979 484 HB2 LYS 57 2HB LYS 57 -14.850 12.171 1.929 485 HB3 LYS 57 1HB LYS 57 -15.759 13.239 2.976 486 HG2 LYS 57 2HG LYS 57 -17.583 13.312 1.426 487 HG3 LYS 57 1HG LYS 57 -16.646 12.429 0.220 488 HD2 LYS 57 2HD LYS 57 -16.610 10.470 1.678 489 HD3 LYS 57 1HD LYS 57 -17.528 11.358 2.899 490 HE2 LYS 57 2HE LYS 57 -19.423 11.519 1.459 491 HE3 LYS 57 1HE LYS 57 -18.510 10.880 0.094 492 HZ1 LYS 57 3HZ LYS 57 -18.355 8.763 1.185 493 HZ2 LYS 57 1HZ LYS 57 -19.983 9.233 1.110 494 HZ3 LYS 57 2HZ LYS 57 -19.134 9.362 2.571 495 H ALA 58 H ALA 58 -12.564 15.022 0.783 496 HA ALA 58 HA ALA 58 -11.746 15.544 3.487 497 HB1 ALA 58 1HB ALA 58 -10.136 14.772 1.820 498 HB2 ALA 58 2HB ALA 58 -9.667 16.342 2.474 499 HB3 ALA 58 3HB ALA 58 -10.405 16.237 0.875 500 H ARG 59 H ARG 59 -11.640 17.476 4.527 501 HA ARG 59 HA ARG 59 -13.189 19.619 3.253 502 HB2 ARG 59 2HB ARG 59 -12.630 19.110 6.176 503 HB3 ARG 59 1HB ARG 59 -13.666 20.381 5.537 504 HG2 ARG 59 2HG ARG 59 -15.175 18.721 4.614 505 HG3 ARG 59 1HG ARG 59 -14.118 17.426 5.179 506 HD2 ARG 59 2HD ARG 59 -15.963 17.673 6.698 507 HD3 ARG 59 1HD ARG 59 -14.479 18.192 7.497 508 HE ARG 59 HE ARG 59 -15.613 20.468 6.393 509 HH11 ARG 59 1HH1 ARG 59 -16.477 18.062 8.793 510 HH12 ARG 59 2HH1 ARG 59 -17.476 19.148 9.703 511 HH21 ARG 59 1HH2 ARG 59 -16.937 21.888 7.596 512 HH22 ARG 59 2HH2 ARG 59 -17.753 21.307 9.018 513 H ASN 60 H ASN 60 -10.041 18.890 3.823 514 HA ASN 60 HA ASN 60 -9.318 21.745 3.840 515 HB2 ASN 60 2HB ASN 60 -7.897 19.478 5.249 516 HB3 ASN 60 1HB ASN 60 -7.149 21.042 4.947 517 HD21 ASN 60 1HD2 ASN 60 -9.663 22.495 5.382 518 HD22 ASN 60 2HD2 ASN 60 -9.925 22.473 7.090 519 HA PRO 61 HA PRO 61 -7.800 20.734 -0.224 520 HB2 PRO 61 2HB PRO 61 -6.147 23.152 0.341 521 HB3 PRO 61 1HB PRO 61 -7.139 22.773 -1.071 522 HG2 PRO 61 2HG PRO 61 -7.993 24.516 0.746 523 HG3 PRO 61 1HG PRO 61 -9.113 23.362 -0.003 524 HD2 PRO 61 2HD PRO 61 -7.903 23.332 2.721 525 HD3 PRO 61 1HD PRO 61 -9.521 22.820 2.197 526 H GLU 62 H GLU 62 -5.471 21.799 2.285 527 HA GLU 62 HA GLU 62 -3.202 20.750 1.047 528 HB2 GLU 62 2HB GLU 62 -3.839 21.419 3.901 529 HB3 GLU 62 1HB GLU 62 -2.268 20.858 3.400 530 HG2 GLU 62 2HG GLU 62 -2.118 23.201 3.520 531 HG3 GLU 62 1HG GLU 62 -2.190 22.799 1.808 532 H LYS 63 H LYS 63 -5.358 19.352 3.512 533 HA LYS 63 HA LYS 63 -3.844 16.940 3.706 534 HB2 LYS 63 2HB LYS 63 -6.594 17.706 4.659 535 HB3 LYS 63 1HB LYS 63 -5.987 16.065 4.826 536 HG2 LYS 63 2HG LYS 63 -3.995 17.082 6.032 537 HG3 LYS 63 1HG LYS 63 -4.931 18.576 6.090 538 HD2 LYS 63 2HD LYS 63 -5.932 15.934 7.150 539 HD3 LYS 63 1HD LYS 63 -5.089 17.125 8.141 540 HE2 LYS 63 2HE LYS 63 -6.834 18.772 7.617 541 HE3 LYS 63 1HE LYS 63 -7.678 17.559 6.654 542 HZ1 LYS 63 3HZ LYS 63 -7.057 17.115 9.515 543 HZ2 LYS 63 1HZ LYS 63 -8.191 16.303 8.541 544 HZ3 LYS 63 2HZ LYS 63 -8.472 17.907 9.022 545 H ARG 64 H ARG 64 -6.549 18.015 1.772 546 HA ARG 64 HA ARG 64 -7.347 15.540 0.731 547 HB2 ARG 64 2HB ARG 64 -8.582 17.701 0.433 548 HB3 ARG 64 1HB ARG 64 -7.356 18.187 -0.732 549 HG2 ARG 64 2HG ARG 64 -7.938 16.304 -2.155 550 HG3 ARG 64 1HG ARG 64 -9.144 15.778 -0.982 551 HD2 ARG 64 2HD ARG 64 -10.265 17.998 -1.285 552 HD3 ARG 64 1HD ARG 64 -9.146 18.309 -2.613 553 HE ARG 64 HE ARG 64 -10.217 15.894 -3.238 554 HH11 ARG 64 1HH1 ARG 64 -11.555 19.064 -2.561 555 HH12 ARG 64 2HH1 ARG 64 -13.034 18.756 -3.427 556 HH21 ARG 64 1HH2 ARG 64 -12.148 15.486 -4.350 557 HH22 ARG 64 2HH2 ARG 64 -13.383 16.708 -4.423 558 H GLN 65 H GLN 65 -4.816 17.791 -0.247 559 HA GLN 65 HA GLN 65 -4.049 16.422 -2.599 560 HB2 GLN 65 2HB GLN 65 -3.437 18.789 -1.956 561 HB3 GLN 65 1HB GLN 65 -2.264 18.109 -0.845 562 HG2 GLN 65 2HG GLN 65 -1.254 18.799 -2.968 563 HG3 GLN 65 1HG GLN 65 -1.069 17.074 -2.657 564 HE21 GLN 65 1HE2 GLN 65 -0.787 16.524 -4.787 565 HE22 GLN 65 2HE2 GLN 65 -2.075 16.584 -5.950 566 H VAL 66 H VAL 66 -3.026 16.201 0.758 567 HA VAL 66 HA VAL 66 -0.962 14.329 0.461 568 HB VAL 66 HB VAL 66 -2.905 14.559 2.770 569 HG11 VAL 66 1HG1 VAL 66 -0.149 13.341 2.634 570 HG12 VAL 66 2HG1 VAL 66 -1.668 12.460 2.798 571 HG13 VAL 66 3HG1 VAL 66 -1.120 13.526 4.094 572 HG21 VAL 66 3HG2 VAL 66 -1.197 15.975 3.809 573 HG22 VAL 66 1HG2 VAL 66 -1.794 16.679 2.306 574 HG23 VAL 66 2HG2 VAL 66 -0.225 15.877 2.343 575 H ILE 67 H ILE 67 -4.445 13.845 0.962 576 HA ILE 67 HA ILE 67 -4.429 11.035 0.949 577 HB ILE 67 HB ILE 67 -6.623 12.909 0.034 578 HG12 ILE 67 2HG1 ILE 67 -6.162 11.600 2.724 579 HG13 ILE 67 1HG1 ILE 67 -5.850 13.293 2.357 580 HG21 ILE 67 1HG2 ILE 67 -6.954 10.605 -0.752 581 HG22 ILE 67 2HG2 ILE 67 -8.151 11.067 0.456 582 HG23 ILE 67 3HG2 ILE 67 -6.801 10.027 0.907 583 HD11 ILE 67 3HD1 ILE 67 -7.945 13.034 3.541 584 HD12 ILE 67 1HD1 ILE 67 -8.533 11.930 2.298 585 HD13 ILE 67 2HD1 ILE 67 -8.234 13.624 1.904 586 H ASP 68 H ASP 68 -4.794 13.398 -1.665 587 HA ASP 68 HA ASP 68 -5.188 11.552 -3.770 588 HB2 ASP 68 2HB ASP 68 -5.651 14.002 -3.911 589 HB3 ASP 68 1HB ASP 68 -3.919 14.297 -3.925 590 H LYS 69 H LYS 69 -2.313 13.008 -2.370 591 HA LYS 69 HA LYS 69 -0.394 11.982 -4.122 592 HB2 LYS 69 2HB LYS 69 0.286 13.634 -2.561 593 HB3 LYS 69 1HB LYS 69 -0.278 12.682 -1.194 594 HG2 LYS 69 2HG LYS 69 1.498 11.025 -1.667 595 HG3 LYS 69 1HG LYS 69 2.094 12.080 -2.951 596 HD2 LYS 69 2HD LYS 69 2.658 13.786 -1.397 597 HD3 LYS 69 1HD LYS 69 1.803 12.962 -0.088 598 HE2 LYS 69 2HE LYS 69 4.223 11.868 -1.521 599 HE3 LYS 69 1HE LYS 69 4.270 12.706 0.029 600 HZ1 LYS 69 3HZ LYS 69 4.256 10.244 0.199 601 HZ2 LYS 69 1HZ LYS 69 2.698 10.240 -0.466 602 HZ3 LYS 69 2HZ LYS 69 2.972 10.991 1.030 603 H ILE 70 H ILE 70 -1.733 10.545 -1.146 604 HA ILE 70 HA ILE 70 -0.178 8.176 -1.308 605 HB ILE 70 HB ILE 70 -2.834 8.569 0.090 606 HG12 ILE 70 2HG1 ILE 70 -0.001 8.822 1.135 607 HG13 ILE 70 1HG1 ILE 70 -1.082 10.172 0.805 608 HG21 ILE 70 1HG2 ILE 70 -0.675 6.490 0.462 609 HG22 ILE 70 2HG2 ILE 70 -2.272 6.218 -0.234 610 HG23 ILE 70 3HG2 ILE 70 -2.117 6.660 1.466 611 HD11 ILE 70 3HD1 ILE 70 -1.470 8.033 2.882 612 HD12 ILE 70 1HD1 ILE 70 -2.607 9.337 2.538 613 HD13 ILE 70 2HD1 ILE 70 -1.001 9.710 3.168 614 H LEU 71 H LEU 71 -3.419 9.047 -2.434 615 HA LEU 71 HA LEU 71 -4.200 6.632 -3.560 616 HB2 LEU 71 2HB LEU 71 -4.747 9.505 -4.119 617 HB3 LEU 71 1HB LEU 71 -5.266 8.324 -5.297 618 HG LEU 71 HG LEU 71 -6.070 8.262 -2.393 619 HD11 LEU 71 1HD1 LEU 71 -6.930 10.272 -3.523 620 HD12 LEU 71 2HD1 LEU 71 -8.215 9.132 -3.121 621 HD13 LEU 71 3HD1 LEU 71 -7.626 9.248 -4.782 622 HD21 LEU 71 3HD2 LEU 71 -7.724 6.657 -3.133 623 HD22 LEU 71 1HD2 LEU 71 -6.107 6.100 -3.569 624 HD23 LEU 71 2HD2 LEU 71 -7.160 6.806 -4.798 625 H GLU 72 H GLU 72 -2.144 9.188 -4.828 626 HA GLU 72 HA GLU 72 -1.782 8.101 -7.416 627 HB2 GLU 72 2HB GLU 72 -1.358 10.483 -6.563 628 HB3 GLU 72 1HB GLU 72 0.164 9.875 -5.941 629 HG2 GLU 72 2HG GLU 72 -0.574 9.573 -8.824 630 HG3 GLU 72 1HG GLU 72 0.150 11.055 -8.207 631 H ASP 73 H ASP 73 0.075 7.909 -4.406 632 HA ASP 73 HA ASP 73 2.215 6.410 -5.457 633 HB2 ASP 73 2HB ASP 73 1.233 6.936 -2.682 634 HB3 ASP 73 1HB ASP 73 2.468 5.712 -2.945 635 H GLU 74 H GLU 74 -0.778 5.330 -3.803 636 HA GLU 74 HA GLU 74 0.025 2.602 -3.767 637 HB2 GLU 74 2HB GLU 74 -2.770 3.741 -3.632 638 HB3 GLU 74 1HB GLU 74 -2.332 2.077 -3.274 639 HG2 GLU 74 2HG GLU 74 -1.593 4.555 -1.748 640 HG3 GLU 74 1HG GLU 74 -2.598 3.212 -1.216 641 H GLU 75 H GLU 75 -2.049 4.450 -6.018 642 HA GLU 75 HA GLU 75 -2.603 2.416 -7.813 643 HB2 GLU 75 2HB GLU 75 -3.596 4.691 -7.753 644 HB3 GLU 75 1HB GLU 75 -2.075 5.354 -8.322 645 HG2 GLU 75 2HG GLU 75 -3.607 3.330 -9.888 646 HG3 GLU 75 1HG GLU 75 -3.940 5.055 -9.988 647 H LYS 76 H LYS 76 0.138 4.633 -7.578 648 HA LYS 76 HA LYS 76 1.678 3.782 -9.740 649 HB2 LYS 76 2HB LYS 76 2.129 5.785 -8.406 650 HB3 LYS 76 1HB LYS 76 2.535 4.787 -7.022 651 HG2 LYS 76 2HG LYS 76 4.424 3.849 -8.396 652 HG3 LYS 76 1HG LYS 76 4.075 5.116 -9.578 653 HD2 LYS 76 2HD LYS 76 4.830 5.516 -6.680 654 HD3 LYS 76 1HD LYS 76 5.831 5.872 -8.088 655 HE2 LYS 76 2HE LYS 76 4.376 7.622 -8.780 656 HE3 LYS 76 1HE LYS 76 3.158 7.165 -7.592 657 HZ1 LYS 76 3HZ LYS 76 4.437 9.123 -6.929 658 HZ2 LYS 76 1HZ LYS 76 5.865 8.211 -6.943 659 HZ3 LYS 76 2HZ LYS 76 4.630 7.850 -5.830 660 H HIS 77 H HIS 77 1.551 2.572 -6.409 661 HA HIS 77 HA HIS 77 3.568 0.638 -6.567 662 HB2 HIS 77 2HB HIS 77 1.033 0.731 -4.925 663 HB3 HIS 77 1HB HIS 77 2.241 -0.531 -4.737 664 HD2 HIS 77 2HD HIS 77 4.298 2.445 -5.264 665 HE1 HIS 77 1HE HIS 77 3.513 2.416 -1.117 666 HE2 HIS 77 2HE HIS 77 4.748 3.588 -2.977 667 H ILE 78 H ILE 78 0.094 0.375 -7.216 668 HA ILE 78 HA ILE 78 0.019 -2.324 -7.949 669 HB ILE 78 HB ILE 78 -1.670 -0.076 -9.071 670 HG12 ILE 78 2HG1 ILE 78 -2.203 -1.908 -6.719 671 HG13 ILE 78 1HG1 ILE 78 -1.721 -0.220 -6.592 672 HG21 ILE 78 1HG2 ILE 78 -2.190 -3.047 -8.962 673 HG22 ILE 78 2HG2 ILE 78 -1.825 -2.108 -10.409 674 HG23 ILE 78 3HG2 ILE 78 -3.325 -1.823 -9.529 675 HD11 ILE 78 3HD1 ILE 78 -4.258 -1.231 -7.861 676 HD12 ILE 78 1HD1 ILE 78 -3.780 0.459 -7.698 677 HD13 ILE 78 2HD1 ILE 78 -4.117 -0.506 -6.259 678 H GLU 79 H GLU 79 0.742 0.572 -9.837 679 HA GLU 79 HA GLU 79 0.924 -0.549 -12.373 680 HB2 GLU 79 2HB GLU 79 1.766 1.893 -11.065 681 HB3 GLU 79 1HB GLU 79 2.950 1.372 -12.255 682 HG2 GLU 79 2HG GLU 79 0.015 1.789 -12.766 683 HG3 GLU 79 1HG GLU 79 1.309 2.905 -13.204 684 H TRP 80 H TRP 80 3.360 -0.394 -9.807 685 HA TRP 80 HA TRP 80 5.510 -1.408 -11.341 686 HB2 TRP 80 2HB TRP 80 5.036 -1.652 -8.359 687 HB3 TRP 80 1HB TRP 80 6.562 -1.950 -9.178 688 HD1 TRP 80 HD TRP 80 5.930 0.870 -11.034 689 HE1 TRP 80 1HE TRP 80 6.643 3.075 -9.902 690 HE3 TRP 80 3HE TRP 80 6.251 -0.765 -6.205 691 HZ2 TRP 80 2HZ TRP 80 7.254 3.991 -7.298 692 HZ3 TRP 80 3HZ TRP 80 6.907 0.832 -4.453 693 HH2 TRP 80 HH TRP 80 7.400 3.165 -4.991 694 H HIS 81 H HIS 81 3.135 -2.964 -9.242 695 HA HIS 81 HA HIS 81 4.284 -5.551 -9.466 696 HB2 HIS 81 2HB HIS 81 1.651 -4.566 -8.394 697 HB3 HIS 81 1HB HIS 81 2.056 -6.280 -8.447 698 HD1 HIS 81 1HD HIS 81 3.556 -7.168 -6.601 699 HD2 HIS 81 2HD HIS 81 3.393 -3.016 -6.715 700 HE1 HIS 81 1HE HIS 81 4.856 -6.342 -4.586 701 H LYS 82 H LYS 82 1.772 -3.880 -11.281 702 HA LYS 82 HA LYS 82 0.853 -6.191 -12.662 703 HB2 LYS 82 2HB LYS 82 0.744 -3.276 -13.441 704 HB3 LYS 82 1HB LYS 82 -0.038 -4.565 -14.344 705 HG2 LYS 82 2HG LYS 82 -1.274 -5.127 -12.211 706 HG3 LYS 82 1HG LYS 82 -0.664 -3.601 -11.571 707 HD2 LYS 82 2HD LYS 82 -2.381 -3.966 -14.024 708 HD3 LYS 82 1HD LYS 82 -2.893 -3.290 -12.476 709 HE2 LYS 82 2HE LYS 82 -1.339 -1.429 -12.773 710 HE3 LYS 82 1HE LYS 82 -0.796 -2.116 -14.301 711 HZ1 LYS 82 3HZ LYS 82 -2.394 -0.377 -14.691 712 HZ2 LYS 82 1HZ LYS 82 -3.534 -1.140 -13.692 713 HZ3 LYS 82 2HZ LYS 82 -3.066 -1.865 -15.153 714 H ALA 83 H ALA 83 3.386 -3.827 -13.301 715 HA ALA 83 HA ALA 83 4.086 -4.856 -15.859 716 HB1 ALA 83 1HB ALA 83 4.647 -2.576 -15.157 717 HB2 ALA 83 2HB ALA 83 6.081 -3.475 -15.658 718 HB3 ALA 83 3HB ALA 83 5.750 -3.225 -13.941 719 H ALA 84 H ALA 84 5.061 -5.566 -12.564 720 HA ALA 84 HA ALA 84 7.256 -7.250 -13.207 721 HB1 ALA 84 1HB ALA 84 5.537 -7.238 -10.728 722 HB2 ALA 84 2HB ALA 84 6.970 -6.245 -10.991 723 HB3 ALA 84 3HB ALA 84 7.118 -8.000 -10.894 724 H SER 85 H SER 85 3.830 -7.710 -12.957 725 HA SER 85 HA SER 85 2.448 -9.359 -13.660 726 HB2 SER 85 2HB SER 85 4.953 -10.771 -14.596 727 HB3 SER 85 1HB SER 85 3.299 -11.221 -15.010 728 HG SER 85 HG SER 85 4.626 -8.795 -15.667 729 H LYS 86 H LYS 86 2.210 -11.923 -13.380 730 HA LYS 86 HA LYS 86 2.123 -12.456 -10.649 731 HB2 LYS 86 2HB LYS 86 2.115 -14.358 -12.994 732 HB3 LYS 86 1HB LYS 86 1.805 -14.857 -11.339 733 HG2 LYS 86 2HG LYS 86 -0.151 -13.415 -11.251 734 HG3 LYS 86 1HG LYS 86 0.170 -12.870 -12.902 735 HD2 LYS 86 2HD LYS 86 -0.157 -15.104 -13.749 736 HD3 LYS 86 1HD LYS 86 -0.325 -15.738 -12.112 737 HE2 LYS 86 2HE LYS 86 -2.497 -15.507 -13.198 738 HE3 LYS 86 1HE LYS 86 -2.358 -14.436 -11.805 739 HZ1 LYS 86 3HZ LYS 86 -2.115 -12.573 -13.180 740 HZ2 LYS 86 1HZ LYS 86 -3.366 -13.470 -13.884 741 HZ3 LYS 86 2HZ LYS 86 -1.814 -13.504 -14.565 742 H GLN 87 H GLN 87 4.262 -14.138 -12.967 743 HA GLN 87 HA GLN 87 6.196 -14.435 -10.774 744 HB2 GLN 87 2HB GLN 87 5.958 -16.110 -13.281 745 HB3 GLN 87 1HB GLN 87 7.102 -16.362 -11.972 746 HG2 GLN 87 2HG GLN 87 5.590 -17.854 -11.270 747 HG3 GLN 87 1HG GLN 87 4.780 -16.436 -10.606 748 HE21 GLN 87 1HE2 GLN 87 3.674 -18.972 -11.467 749 HE22 GLN 87 2HE2 GLN 87 2.516 -18.609 -12.700 750 H GLY 88 H GLY 88 7.668 -12.891 -10.911 751 HA2 GLY 88 2HA GLY 88 8.899 -12.413 -13.550 752 HA3 GLY 88 1HA GLY 88 8.732 -11.157 -12.329 753 H ASN 89 H ASN 89 11.117 -11.023 -12.727 754 HA ASN 89 HA ASN 89 12.887 -13.038 -11.876 755 HB2 ASN 89 2HB ASN 89 13.543 -11.020 -13.193 756 HB3 ASN 89 1HB ASN 89 13.295 -10.040 -11.753 757 HD21 ASN 89 1HD2 ASN 89 15.390 -12.165 -13.426 758 HD22 ASN 89 2HD2 ASN 89 16.693 -12.125 -12.287 759 H ALA 90 H ALA 90 13.244 -13.819 -9.901 760 HA ALA 90 HA ALA 90 11.712 -13.045 -7.693 761 HB1 ALA 90 1HB ALA 90 12.597 -15.287 -7.954 762 HB2 ALA 90 2HB ALA 90 13.099 -14.600 -6.409 763 HB3 ALA 90 3HB ALA 90 14.240 -14.680 -7.750 764 H GLU 91 H GLU 91 15.144 -12.415 -8.387 765 HA GLU 91 HA GLU 91 15.743 -11.078 -6.014 766 HB2 GLU 91 2HB GLU 91 16.919 -10.912 -8.781 767 HB3 GLU 91 1HB GLU 91 17.576 -10.027 -7.423 768 HG2 GLU 91 2HG GLU 91 18.905 -11.871 -7.376 769 HG3 GLU 91 1HG GLU 91 17.615 -12.394 -6.299 770 H GLN 92 H GLN 92 14.633 -9.832 -9.133 771 HA GLN 92 HA GLN 92 14.594 -7.106 -8.365 772 HB2 GLN 92 2HB GLN 92 12.985 -8.526 -10.497 773 HB3 GLN 92 1HB GLN 92 13.152 -6.782 -10.346 774 HG2 GLN 92 2HG GLN 92 15.386 -8.727 -10.878 775 HG3 GLN 92 1HG GLN 92 14.614 -7.683 -12.070 776 HE21 GLN 92 1HE2 GLN 92 17.398 -7.857 -11.142 777 HE22 GLN 92 2HE2 GLN 92 17.812 -6.260 -10.613 778 H PHE 93 H PHE 93 12.240 -9.699 -8.143 779 HA PHE 93 HA PHE 93 10.009 -8.113 -7.419 780 HB2 PHE 93 2HB PHE 93 9.871 -10.460 -8.255 781 HB3 PHE 93 1HB PHE 93 10.542 -11.014 -6.728 782 HD1 PHE 93 2HD PHE 93 7.693 -9.092 -8.135 783 HD2 PHE 93 1HD PHE 93 9.137 -11.540 -4.967 784 HE1 PHE 93 2HE PHE 93 5.426 -9.187 -7.182 785 HE2 PHE 93 1HE PHE 93 6.875 -11.641 -4.008 786 HZ PHE 93 HZ PHE 93 5.013 -10.463 -5.116 787 H ALA 94 H ALA 94 12.504 -9.777 -5.563 788 HA ALA 94 HA ALA 94 11.548 -9.248 -2.987 789 HB1 ALA 94 1HB ALA 94 14.425 -9.413 -3.893 790 HB2 ALA 94 2HB ALA 94 13.404 -10.782 -3.453 791 HB3 ALA 94 3HB ALA 94 13.841 -9.581 -2.238 792 H SER 95 H SER 95 13.511 -7.289 -5.176 793 HA SER 95 HA SER 95 13.929 -5.160 -3.333 794 HB2 SER 95 2HB SER 95 15.351 -5.544 -5.345 795 HB3 SER 95 1HB SER 95 13.993 -5.064 -6.359 796 HG SER 95 HG SER 95 15.799 -3.494 -5.308 797 H LEU 96 H LEU 96 11.499 -5.893 -5.769 798 HA LEU 96 HA LEU 96 10.105 -3.466 -5.758 799 HB2 LEU 96 2HB LEU 96 9.685 -5.197 -7.403 800 HB3 LEU 96 1HB LEU 96 9.116 -6.288 -6.160 801 HG LEU 96 HG LEU 96 7.143 -4.889 -5.786 802 HD11 LEU 96 1HD1 LEU 96 8.148 -2.719 -6.292 803 HD12 LEU 96 2HD1 LEU 96 6.689 -2.979 -7.250 804 HD13 LEU 96 3HD1 LEU 96 8.280 -3.167 -7.993 805 HD21 LEU 96 3HD2 LEU 96 7.025 -6.642 -7.477 806 HD22 LEU 96 1HD2 LEU 96 7.620 -5.521 -8.701 807 HD23 LEU 96 2HD2 LEU 96 6.047 -5.252 -7.948 808 H VAL 97 H VAL 97 9.626 -6.392 -3.813 809 HA VAL 97 HA VAL 97 7.500 -5.408 -2.254 810 HB VAL 97 HB VAL 97 9.554 -7.491 -1.484 811 HG11 VAL 97 1HG1 VAL 97 6.778 -7.001 -0.402 812 HG12 VAL 97 2HG1 VAL 97 8.288 -6.638 0.437 813 HG13 VAL 97 3HG1 VAL 97 7.862 -8.311 0.069 814 HG21 VAL 97 3HG2 VAL 97 7.905 -9.115 -2.279 815 HG22 VAL 97 1HG2 VAL 97 8.428 -8.042 -3.577 816 HG23 VAL 97 2HG2 VAL 97 6.860 -7.798 -2.806 817 H GLN 98 H GLN 98 11.003 -5.312 -1.801 818 HA GLN 98 HA GLN 98 10.981 -4.225 0.799 819 HB2 GLN 98 2HB GLN 98 12.959 -5.279 -0.227 820 HB3 GLN 98 1HB GLN 98 13.082 -3.936 -1.355 821 HG2 GLN 98 2HG GLN 98 13.546 -2.404 0.453 822 HG3 GLN 98 1HG GLN 98 13.304 -3.689 1.636 823 HE21 GLN 98 1HE2 GLN 98 15.652 -2.018 1.128 824 HE22 GLN 98 2HE2 GLN 98 16.946 -3.114 0.801 825 H GLN 99 H GLN 99 11.175 -2.665 -2.393 826 HA GLN 99 HA GLN 99 11.361 -0.017 -1.413 827 HB2 GLN 99 2HB GLN 99 11.951 -0.677 -3.724 828 HB3 GLN 99 1HB GLN 99 10.250 -0.977 -4.057 829 HG2 GLN 99 2HG GLN 99 9.771 1.394 -3.606 830 HG3 GLN 99 1HG GLN 99 11.493 1.676 -3.366 831 HE21 GLN 99 1HE2 GLN 99 11.624 3.130 -5.071 832 HE22 GLN 99 2HE2 GLN 99 11.508 2.638 -6.724 833 H HIS 100 H HIS 100 8.629 -2.022 -2.401 834 HA HIS 100 HA HIS 100 6.590 -0.116 -2.125 835 HB2 HIS 100 2HB HIS 100 6.474 -2.439 -3.179 836 HB3 HIS 100 1HB HIS 100 6.314 -3.070 -1.545 837 HD1 HIS 100 1HD HIS 100 4.127 -3.219 -3.901 838 HD2 HIS 100 2HD HIS 100 4.118 -0.649 -0.637 839 HE1 HIS 100 1HE HIS 100 1.720 -2.558 -3.526 840 H LEU 101 H LEU 101 7.901 -2.482 0.174 841 HA LEU 101 HA LEU 101 6.199 -1.977 2.325 842 HB2 LEU 101 2HB LEU 101 8.032 -3.798 1.921 843 HB3 LEU 101 1HB LEU 101 9.096 -2.654 2.707 844 HG LEU 101 HG LEU 101 6.583 -3.723 3.996 845 HD11 LEU 101 1HD1 LEU 101 8.096 -5.567 3.519 846 HD12 LEU 101 2HD1 LEU 101 8.055 -5.224 5.249 847 HD13 LEU 101 3HD1 LEU 101 9.426 -4.691 4.277 848 HD21 LEU 101 3HD2 LEU 101 7.609 -2.936 6.055 849 HD22 LEU 101 1HD2 LEU 101 7.433 -1.609 4.909 850 HD23 LEU 101 2HD2 LEU 101 9.012 -2.356 5.160 851 H GLN 102 H GLN 102 9.308 -0.464 1.476 852 HA GLN 102 HA GLN 102 9.518 1.159 3.728 853 HB2 GLN 102 2HB GLN 102 10.636 1.309 0.944 854 HB3 GLN 102 1HB GLN 102 11.034 2.468 2.179 855 HG2 GLN 102 2HG GLN 102 11.532 -0.483 2.350 856 HG3 GLN 102 1HG GLN 102 12.738 0.739 1.962 857 HE21 GLN 102 1HE2 GLN 102 14.039 0.229 3.701 858 HE22 GLN 102 2HE2 GLN 102 13.603 0.608 5.331 859 H ASP 103 H ASP 103 7.881 1.630 0.628 860 HA ASP 103 HA ASP 103 7.418 4.415 0.995 861 HB2 ASP 103 2HB ASP 103 7.114 2.806 -1.153 862 HB3 ASP 103 1HB ASP 103 5.448 2.882 -0.601 863 H GLU 104 H GLU 104 5.555 1.500 1.677 864 HA GLU 104 HA GLU 104 3.206 2.820 2.519 865 HB2 GLU 104 2HB GLU 104 4.202 0.093 3.361 866 HB3 GLU 104 1HB GLU 104 2.557 0.690 3.525 867 HG2 GLU 104 2HG GLU 104 4.010 0.231 0.931 868 HG3 GLU 104 1HG GLU 104 2.799 -0.834 1.636 869 H GLN 105 H GLN 105 6.123 1.815 4.240 870 HA GLN 105 HA GLN 105 5.216 2.515 6.819 871 HB2 GLN 105 2HB GLN 105 7.230 1.186 6.557 872 HB3 GLN 105 1HB GLN 105 8.025 2.505 5.703 873 HG2 GLN 105 2HG GLN 105 8.017 3.864 7.682 874 HG3 GLN 105 1HG GLN 105 7.066 2.664 8.550 875 HE21 GLN 105 1HE2 GLN 105 8.596 2.488 10.162 876 HE22 GLN 105 2HE2 GLN 105 10.109 1.671 9.915 877 H ARG 106 H ARG 106 6.925 4.355 4.316 878 HA ARG 106 HA ARG 106 7.147 6.771 5.757 879 HB2 ARG 106 2HB ARG 106 8.430 6.336 3.709 880 HB3 ARG 106 1HB ARG 106 6.949 6.317 2.765 881 HG2 ARG 106 2HG ARG 106 6.590 8.641 3.129 882 HG3 ARG 106 1HG ARG 106 7.897 8.716 4.312 883 HD2 ARG 106 2HD ARG 106 8.606 9.653 2.186 884 HD3 ARG 106 1HD ARG 106 9.515 8.189 2.551 885 HE ARG 106 HE ARG 106 7.732 7.125 0.992 886 HH11 ARG 106 1HH1 ARG 106 9.163 10.303 0.631 887 HH12 ARG 106 2HH1 ARG 106 9.026 10.313 -1.099 888 HH21 ARG 106 1HH2 ARG 106 7.563 7.114 -1.278 889 HH22 ARG 106 2HH2 ARG 106 8.120 8.492 -2.186 890 H HIS 107 H HIS 107 4.534 5.436 3.778 891 HA HIS 107 HA HIS 107 2.862 7.700 3.819 892 HB2 HIS 107 2HB HIS 107 2.164 4.757 3.703 893 HB3 HIS 107 1HB HIS 107 0.982 6.048 3.502 894 HD2 HIS 107 2HD HIS 107 3.357 7.738 1.606 895 HE1 HIS 107 1HE HIS 107 2.287 4.633 -1.058 896 HE2 HIS 107 2HE HIS 107 3.249 6.967 -0.869 897 H VAL 108 H VAL 108 3.098 4.937 6.046 898 HA VAL 108 HA VAL 108 1.190 5.820 7.910 899 HB VAL 108 HB VAL 108 3.691 4.182 8.374 900 HG11 VAL 108 1HG1 VAL 108 1.285 4.559 10.152 901 HG12 VAL 108 2HG1 VAL 108 2.916 5.148 10.466 902 HG13 VAL 108 3HG1 VAL 108 2.597 3.413 10.434 903 HG21 VAL 108 3HG2 VAL 108 0.827 3.363 7.915 904 HG22 VAL 108 1HG2 VAL 108 2.147 2.268 8.323 905 HG23 VAL 108 2HG2 VAL 108 2.171 3.145 6.794 906 H GLU 109 H GLU 109 4.678 6.360 7.713 907 HA GLU 109 HA GLU 109 5.052 7.899 9.995 908 HB2 GLU 109 2HB GLU 109 6.428 7.899 7.309 909 HB3 GLU 109 1HB GLU 109 7.008 8.831 8.671 910 HG2 GLU 109 2HG GLU 109 6.742 5.845 8.530 911 HG3 GLU 109 1HG GLU 109 8.238 6.776 8.490 912 H GLU 110 H GLU 110 3.973 8.802 6.779 913 HA GLU 110 HA GLU 110 4.076 11.614 7.170 914 HB2 GLU 110 2HB GLU 110 4.140 10.426 4.970 915 HB3 GLU 110 1HB GLU 110 2.443 10.032 5.182 916 HG2 GLU 110 2HG GLU 110 1.766 12.222 4.861 917 HG3 GLU 110 1HG GLU 110 3.360 12.876 5.233 918 H ILE 111 H ILE 111 1.536 9.178 7.464 919 HA ILE 111 HA ILE 111 -0.551 11.025 8.101 920 HB ILE 111 HB ILE 111 -0.406 8.050 8.626 921 HG12 ILE 111 2HG1 ILE 111 -1.700 9.576 6.353 922 HG13 ILE 111 1HG1 ILE 111 -0.190 8.676 6.240 923 HG21 ILE 111 1HG2 ILE 111 -2.081 9.096 10.033 924 HG22 ILE 111 2HG2 ILE 111 -2.868 8.172 8.753 925 HG23 ILE 111 3HG2 ILE 111 -2.772 9.932 8.641 926 HD11 ILE 111 3HD1 ILE 111 -2.020 7.396 5.320 927 HD12 ILE 111 1HD1 ILE 111 -2.903 7.526 6.840 928 HD13 ILE 111 2HD1 ILE 111 -1.398 6.613 6.771 929 H GLU 112 H GLU 112 1.758 9.158 9.988 930 HA GLU 112 HA GLU 112 0.597 9.335 12.507 931 HB2 GLU 112 2HB GLU 112 3.375 8.949 11.491 932 HB3 GLU 112 1HB GLU 112 3.116 9.194 13.203 933 HG2 GLU 112 2HG GLU 112 1.787 7.048 11.578 934 HG3 GLU 112 1HG GLU 112 3.243 6.819 12.544 935 H LYS 113 H LYS 113 2.310 11.772 10.700 936 HA LYS 113 HA LYS 113 2.255 13.486 13.067 937 HB2 LYS 113 2HB LYS 113 4.177 13.438 10.740 938 HB3 LYS 113 1HB LYS 113 4.051 14.807 11.838 939 HG2 LYS 113 2HG LYS 113 4.717 11.986 12.661 940 HG3 LYS 113 1HG LYS 113 5.887 13.289 12.432 941 HD2 LYS 113 2HD LYS 113 4.929 14.557 14.220 942 HD3 LYS 113 1HD LYS 113 3.575 13.435 14.359 943 HE2 LYS 113 2HE LYS 113 6.461 12.723 14.866 944 HE3 LYS 113 1HE LYS 113 5.299 13.144 16.123 945 HZ1 LYS 113 3HZ LYS 113 3.930 11.235 15.326 946 HZ2 LYS 113 1HZ LYS 113 5.423 10.785 15.986 947 HZ3 LYS 113 2HZ LYS 113 5.212 10.789 14.308 948 H LYS 114 H LYS 114 2.434 15.872 12.129 949 HA LYS 114 HA LYS 114 -0.136 16.212 10.816 950 HB2 LYS 114 2HB LYS 114 0.329 17.458 12.892 951 HB3 LYS 114 1HB LYS 114 1.675 18.267 12.100 952 HG2 LYS 114 2HG LYS 114 -0.062 19.086 10.404 953 HG3 LYS 114 1HG LYS 114 -1.261 18.577 11.594 954 HD2 LYS 114 2HD LYS 114 -0.832 20.895 11.952 955 HD3 LYS 114 1HD LYS 114 -0.078 20.001 13.272 956 HE2 LYS 114 2HE LYS 114 1.446 21.702 12.533 957 HE3 LYS 114 1HE LYS 114 2.083 20.129 12.057 958 HZ1 LYS 114 3HZ LYS 114 0.631 22.027 10.284 959 HZ2 LYS 114 1HZ LYS 114 1.231 20.512 9.813 960 HZ3 LYS 114 2HZ LYS 114 2.300 21.740 10.271 961 H ASN 115 H ASN 115 -0.429 17.072 8.833 962 HA ASN 115 HA ASN 115 1.950 17.907 7.352 963 HB2 ASN 115 2HB ASN 115 0.381 16.289 6.277 964 HB3 ASN 115 1HB ASN 115 -0.874 17.521 6.325 965 HD21 ASN 115 1HD2 ASN 115 2.167 16.582 4.921 966 HD22 ASN 115 2HD2 ASN 115 2.119 17.679 3.582 Start of MODEL 3 1 H1 MET 1 H1 MET 1 -14.459 9.844 11.754 2 H2 MET 1 H2 MET 1 -15.171 10.797 12.959 3 H3 MET 1 H3 MET 1 -15.043 9.122 13.175 4 HA MET 1 HA MET 1 -12.757 10.993 12.938 5 HB2 MET 1 2HB MET 1 -13.977 11.351 15.026 6 HB3 MET 1 1HB MET 1 -13.924 9.630 15.373 7 HG2 MET 1 2HG MET 1 -11.491 9.734 15.533 8 HG3 MET 1 1HG MET 1 -11.544 11.461 15.187 9 HE1 MET 1 2HE MET 1 -10.064 10.200 17.743 10 HE2 MET 1 3HE MET 1 -10.551 11.363 18.977 11 HE3 MET 1 1HE MET 1 -10.104 11.923 17.366 12 H ASP 2 H ASP 2 -13.786 7.739 14.003 13 HA ASP 2 HA ASP 2 -11.057 6.802 13.858 14 HB2 ASP 2 2HB ASP 2 -11.965 4.689 14.708 15 HB3 ASP 2 1HB ASP 2 -12.493 6.056 15.682 16 H GLU 3 H GLU 3 -13.092 7.414 11.473 17 HA GLU 3 HA GLU 3 -13.118 5.088 9.889 18 HB2 GLU 3 2HB GLU 3 -12.935 7.960 8.945 19 HB3 GLU 3 1HB GLU 3 -13.435 6.583 7.973 20 HG2 GLU 3 2HG GLU 3 -15.360 6.271 9.476 21 HG3 GLU 3 1HG GLU 3 -14.873 7.721 10.352 22 H LEU 4 H LEU 4 -10.737 7.618 10.375 23 HA LEU 4 HA LEU 4 -8.981 6.952 8.275 24 HB2 LEU 4 2HB LEU 4 -8.363 8.279 10.917 25 HB3 LEU 4 1HB LEU 4 -7.319 8.281 9.508 26 HG LEU 4 HG LEU 4 -10.049 9.563 9.657 27 HD11 LEU 4 1HD1 LEU 4 -8.834 11.671 9.601 28 HD12 LEU 4 2HD1 LEU 4 -7.301 10.797 9.628 29 HD13 LEU 4 3HD1 LEU 4 -8.384 10.722 11.020 30 HD21 LEU 4 3HD2 LEU 4 -7.960 9.625 7.483 31 HD22 LEU 4 1HD2 LEU 4 -9.474 10.528 7.492 32 HD23 LEU 4 2HD2 LEU 4 -9.499 8.767 7.413 33 H ARG 5 H ARG 5 -9.537 5.521 11.360 34 HA ARG 5 HA ARG 5 -7.086 4.216 11.764 35 HB2 ARG 5 2HB ARG 5 -8.835 4.355 13.489 36 HB3 ARG 5 1HB ARG 5 -9.873 3.313 12.523 37 HG2 ARG 5 2HG ARG 5 -8.135 1.539 12.703 38 HG3 ARG 5 1HG ARG 5 -7.269 2.583 13.829 39 HD2 ARG 5 2HD ARG 5 -8.619 0.956 15.030 40 HD3 ARG 5 1HD ARG 5 -9.213 2.592 15.312 41 HE ARG 5 HE ARG 5 -10.978 2.089 13.658 42 HH11 ARG 5 1HH1 ARG 5 -9.299 -0.568 15.181 43 HH12 ARG 5 2HH1 ARG 5 -10.628 -1.677 15.013 44 HH21 ARG 5 1HH2 ARG 5 -12.724 0.642 13.395 45 HH22 ARG 5 2HH2 ARG 5 -12.568 -0.999 13.958 46 H GLU 6 H GLU 6 -9.980 3.309 9.938 47 HA GLU 6 HA GLU 6 -9.076 0.717 9.241 48 HB2 GLU 6 2HB GLU 6 -11.437 1.298 9.146 49 HB3 GLU 6 1HB GLU 6 -11.116 2.508 7.912 50 HG2 GLU 6 2HG GLU 6 -10.615 0.877 6.294 51 HG3 GLU 6 1HG GLU 6 -10.504 -0.399 7.507 52 H LEU 7 H LEU 7 -8.786 3.886 7.735 53 HA LEU 7 HA LEU 7 -7.649 3.115 5.305 54 HB2 LEU 7 2HB LEU 7 -7.536 5.582 6.996 55 HB3 LEU 7 1HB LEU 7 -6.491 5.448 5.610 56 HG LEU 7 HG LEU 7 -8.580 5.052 4.219 57 HD11 LEU 7 1HD1 LEU 7 -10.680 5.831 5.142 58 HD12 LEU 7 2HD1 LEU 7 -9.912 6.115 6.703 59 HD13 LEU 7 3HD1 LEU 7 -10.063 4.472 6.082 60 HD21 LEU 7 3HD2 LEU 7 -8.231 7.694 5.631 61 HD22 LEU 7 1HD2 LEU 7 -9.099 7.446 4.115 62 HD23 LEU 7 2HD2 LEU 7 -7.360 7.154 4.195 63 H LEU 8 H LEU 8 -6.141 3.999 8.396 64 HA LEU 8 HA LEU 8 -3.477 3.606 7.473 65 HB2 LEU 8 2HB LEU 8 -4.237 5.040 9.414 66 HB3 LEU 8 1HB LEU 8 -4.424 3.564 10.332 67 HG LEU 8 HG LEU 8 -2.041 3.090 10.121 68 HD11 LEU 8 1HD1 LEU 8 -1.922 5.696 8.608 69 HD12 LEU 8 2HD1 LEU 8 -1.629 4.087 7.948 70 HD13 LEU 8 3HD1 LEU 8 -0.528 4.761 9.151 71 HD21 LEU 8 3HD2 LEU 8 -2.803 4.398 12.023 72 HD22 LEU 8 1HD2 LEU 8 -2.623 5.886 11.092 73 HD23 LEU 8 2HD2 LEU 8 -1.201 4.930 11.509 74 H LYS 9 H LYS 9 -5.750 1.638 9.332 75 HA LYS 9 HA LYS 9 -4.029 -0.517 9.843 76 HB2 LYS 9 2HB LYS 9 -6.124 -0.364 11.018 77 HB3 LYS 9 1HB LYS 9 -7.030 -0.466 9.514 78 HG2 LYS 9 2HG LYS 9 -6.401 -2.748 9.201 79 HG3 LYS 9 1HG LYS 9 -5.260 -2.672 10.544 80 HD2 LYS 9 2HD LYS 9 -7.049 -2.435 12.126 81 HD3 LYS 9 1HD LYS 9 -8.237 -2.283 10.828 82 HE2 LYS 9 2HE LYS 9 -8.234 -4.528 11.845 83 HE3 LYS 9 1HE LYS 9 -7.822 -4.562 10.131 84 HZ1 LYS 9 3HZ LYS 9 -6.366 -6.013 11.348 85 HZ2 LYS 9 1HZ LYS 9 -5.915 -4.766 12.407 86 HZ3 LYS 9 2HZ LYS 9 -5.470 -4.704 10.771 87 H ALA 10 H ALA 10 -6.036 0.222 7.028 88 HA ALA 10 HA ALA 10 -5.612 -2.200 5.646 89 HB1 ALA 10 1HB ALA 10 -6.267 -0.967 3.641 90 HB2 ALA 10 2HB ALA 10 -6.072 0.558 4.503 91 HB3 ALA 10 3HB ALA 10 -7.330 -0.576 4.991 92 H GLU 11 H GLU 11 -3.840 0.856 5.668 93 HA GLU 11 HA GLU 11 -1.852 0.180 3.802 94 HB2 GLU 11 2HB GLU 11 -2.342 2.475 4.712 95 HB3 GLU 11 1HB GLU 11 -1.558 1.993 6.210 96 HG2 GLU 11 2HG GLU 11 0.056 3.194 5.030 97 HG3 GLU 11 1HG GLU 11 0.493 1.504 4.804 98 H GLN 12 H GLN 12 -1.928 -0.079 7.340 99 HA GLN 12 HA GLN 12 0.621 -1.220 7.686 100 HB2 GLN 12 2HB GLN 12 -1.874 -1.447 9.377 101 HB3 GLN 12 1HB GLN 12 -0.288 -2.012 9.882 102 HG2 GLN 12 2HG GLN 12 0.579 0.236 9.805 103 HG3 GLN 12 1HG GLN 12 -0.957 0.838 9.186 104 HE21 GLN 12 1HE2 GLN 12 -1.228 2.239 10.917 105 HE22 GLN 12 2HE2 GLN 12 -1.634 1.690 12.507 106 H GLN 13 H GLN 13 -2.533 -2.649 7.060 107 HA GLN 13 HA GLN 13 -1.871 -5.332 7.547 108 HB2 GLN 13 2HB GLN 13 -4.175 -4.160 7.074 109 HB3 GLN 13 1HB GLN 13 -3.818 -4.564 5.403 110 HG2 GLN 13 2HG GLN 13 -5.205 -6.270 6.309 111 HG3 GLN 13 1HG GLN 13 -3.589 -6.939 6.080 112 HE21 GLN 13 1HE2 GLN 13 -3.981 -8.562 7.600 113 HE22 GLN 13 2HE2 GLN 13 -3.995 -8.229 9.299 114 H GLY 14 H GLY 14 -1.725 -3.364 4.631 115 HA2 GLY 14 2HA GLY 14 -0.777 -5.382 2.887 116 HA3 GLY 14 1HA GLY 14 -0.591 -3.652 2.651 117 H ILE 15 H ILE 15 0.887 -3.061 4.976 118 HA ILE 15 HA ILE 15 3.508 -3.649 4.184 119 HB ILE 15 HB ILE 15 2.491 -2.748 6.884 120 HG12 ILE 15 2HG1 ILE 15 3.719 -1.221 4.576 121 HG13 ILE 15 1HG1 ILE 15 2.019 -1.200 5.032 122 HG21 ILE 15 1HG2 ILE 15 5.313 -2.783 5.825 123 HG22 ILE 15 2HG2 ILE 15 4.679 -3.773 7.139 124 HG23 ILE 15 3HG2 ILE 15 4.795 -2.024 7.330 125 HD11 ILE 15 3HD1 ILE 15 2.583 -0.144 7.143 126 HD12 ILE 15 1HD1 ILE 15 3.201 0.794 5.784 127 HD13 ILE 15 2HD1 ILE 15 4.296 -0.212 6.731 128 H LYS 16 H LYS 16 1.423 -5.180 6.602 129 HA LYS 16 HA LYS 16 3.248 -7.037 7.641 130 HB2 LYS 16 2HB LYS 16 0.964 -6.639 8.531 131 HB3 LYS 16 1HB LYS 16 0.295 -7.443 7.125 132 HG2 LYS 16 2HG LYS 16 1.449 -9.513 7.770 133 HG3 LYS 16 1HG LYS 16 2.068 -8.701 9.208 134 HD2 LYS 16 2HD LYS 16 -0.198 -8.360 10.017 135 HD3 LYS 16 1HD LYS 16 -0.847 -9.098 8.550 136 HE2 LYS 16 2HE LYS 16 -0.863 -10.678 10.405 137 HE3 LYS 16 1HE LYS 16 0.229 -11.209 9.129 138 HZ1 LYS 16 3HZ LYS 16 2.099 -10.409 10.412 139 HZ2 LYS 16 1HZ LYS 16 1.189 -11.492 11.346 140 HZ3 LYS 16 2HZ LYS 16 1.066 -9.823 11.624 141 H ILE 17 H ILE 17 1.019 -7.264 4.927 142 HA ILE 17 HA ILE 17 1.745 -9.827 4.020 143 HB ILE 17 HB ILE 17 0.695 -7.474 2.422 144 HG12 ILE 17 2HG1 ILE 17 -0.767 -9.814 3.671 145 HG13 ILE 17 1HG1 ILE 17 -0.739 -8.178 4.318 146 HG21 ILE 17 1HG2 ILE 17 -0.071 -9.180 0.813 147 HG22 ILE 17 2HG2 ILE 17 0.781 -10.414 1.742 148 HG23 ILE 17 3HG2 ILE 17 1.686 -9.125 0.950 149 HD11 ILE 17 3HD1 ILE 17 -1.916 -9.029 1.682 150 HD12 ILE 17 1HD1 ILE 17 -1.856 -7.374 2.287 151 HD13 ILE 17 2HD1 ILE 17 -2.806 -8.591 3.139 152 H LEU 18 H LEU 18 2.976 -6.608 3.123 153 HA LEU 18 HA LEU 18 4.780 -7.427 1.159 154 HB2 LEU 18 2HB LEU 18 4.918 -5.109 3.078 155 HB3 LEU 18 1HB LEU 18 6.027 -5.325 1.739 156 HG LEU 18 HG LEU 18 3.036 -4.961 1.481 157 HD11 LEU 18 1HD1 LEU 18 5.300 -3.052 0.916 158 HD12 LEU 18 2HD1 LEU 18 4.133 -2.925 2.231 159 HD13 LEU 18 3HD1 LEU 18 3.596 -2.767 0.559 160 HD21 LEU 18 3HD2 LEU 18 3.478 -4.751 -0.904 161 HD22 LEU 18 1HD2 LEU 18 3.987 -6.330 -0.309 162 HD23 LEU 18 2HD2 LEU 18 5.188 -5.079 -0.628 163 H LYS 19 H LYS 19 5.266 -7.102 4.666 164 HA LYS 19 HA LYS 19 7.967 -7.902 4.646 165 HB2 LYS 19 2HB LYS 19 5.833 -7.854 6.770 166 HB3 LYS 19 1HB LYS 19 7.463 -8.395 7.093 167 HG2 LYS 19 2HG LYS 19 8.313 -6.204 6.328 168 HG3 LYS 19 1HG LYS 19 6.645 -5.671 6.135 169 HD2 LYS 19 2HD LYS 19 7.841 -6.634 8.732 170 HD3 LYS 19 1HD LYS 19 7.693 -4.939 8.265 171 HE2 LYS 19 2HE LYS 19 5.240 -5.260 8.073 172 HE3 LYS 19 1HE LYS 19 5.442 -6.904 8.678 173 HZ1 LYS 19 3HZ LYS 19 4.801 -5.298 10.416 174 HZ2 LYS 19 1HZ LYS 19 6.248 -4.452 10.155 175 HZ3 LYS 19 2HZ LYS 19 6.291 -6.043 10.741 176 H GLU 20 H GLU 20 4.925 -9.666 4.861 177 HA GLU 20 HA GLU 20 5.947 -12.212 5.411 178 HB2 GLU 20 2HB GLU 20 3.465 -10.986 4.490 179 HB3 GLU 20 1HB GLU 20 3.716 -12.582 3.833 180 HG2 GLU 20 2HG GLU 20 3.636 -11.810 6.733 181 HG3 GLU 20 1HG GLU 20 2.421 -12.728 5.848 182 H VAL 21 H VAL 21 5.227 -10.563 2.351 183 HA VAL 21 HA VAL 21 6.096 -12.636 0.644 184 HB VAL 21 HB VAL 21 6.047 -9.659 0.103 185 HG11 VAL 21 1HG1 VAL 21 5.910 -10.327 -2.263 186 HG12 VAL 21 2HG1 VAL 21 6.149 -12.007 -1.782 187 HG13 VAL 21 3HG1 VAL 21 7.426 -10.822 -1.509 188 HG21 VAL 21 3HG2 VAL 21 3.879 -10.115 -0.965 189 HG22 VAL 21 1HG2 VAL 21 3.859 -10.468 0.763 190 HG23 VAL 21 2HG2 VAL 21 3.970 -11.784 -0.407 191 H LEU 22 H LEU 22 7.776 -9.868 2.078 192 HA LEU 22 HA LEU 22 10.232 -10.164 0.764 193 HB2 LEU 22 2HB LEU 22 9.535 -8.220 2.176 194 HB3 LEU 22 1HB LEU 22 9.796 -9.212 3.598 195 HG LEU 22 HG LEU 22 12.185 -9.422 2.991 196 HD11 LEU 22 1HD1 LEU 22 13.099 -7.916 1.267 197 HD12 LEU 22 2HD1 LEU 22 11.453 -7.491 0.795 198 HD13 LEU 22 3HD1 LEU 22 12.028 -9.147 0.597 199 HD21 LEU 22 3HD2 LEU 22 12.812 -7.135 3.569 200 HD22 LEU 22 1HD2 LEU 22 11.460 -7.699 4.550 201 HD23 LEU 22 2HD2 LEU 22 11.176 -6.590 3.207 202 H LYS 23 H LYS 23 8.981 -11.641 3.717 203 HA LYS 23 HA LYS 23 11.251 -13.148 4.432 204 HB2 LYS 23 2HB LYS 23 9.149 -12.779 5.789 205 HB3 LYS 23 1HB LYS 23 8.351 -13.941 4.761 206 HG2 LYS 23 2HG LYS 23 10.841 -14.720 6.207 207 HG3 LYS 23 1HG LYS 23 9.294 -14.691 7.056 208 HD2 LYS 23 2HD LYS 23 8.350 -16.251 5.469 209 HD3 LYS 23 1HD LYS 23 9.827 -16.213 4.503 210 HE2 LYS 23 2HE LYS 23 11.071 -17.189 6.360 211 HE3 LYS 23 1HE LYS 23 9.606 -17.208 7.343 212 HZ1 LYS 23 3HZ LYS 23 10.104 -19.367 6.324 213 HZ2 LYS 23 1HZ LYS 23 9.946 -18.677 4.780 214 HZ3 LYS 23 2HZ LYS 23 8.608 -18.754 5.818 215 H LYS 24 H LYS 24 8.403 -13.954 2.554 216 HA LYS 24 HA LYS 24 9.076 -16.538 1.749 217 HB2 LYS 24 2HB LYS 24 7.184 -14.467 0.891 218 HB3 LYS 24 1HB LYS 24 7.634 -15.594 -0.375 219 HG2 LYS 24 2HG LYS 24 5.623 -16.334 0.707 220 HG3 LYS 24 1HG LYS 24 6.934 -17.459 1.058 221 HD2 LYS 24 2HD LYS 24 7.191 -16.577 3.266 222 HD3 LYS 24 1HD LYS 24 6.075 -15.250 2.920 223 HE2 LYS 24 2HE LYS 24 4.247 -16.810 2.662 224 HE3 LYS 24 1HE LYS 24 5.339 -18.173 2.893 225 HZ1 LYS 24 3HZ LYS 24 4.718 -16.090 4.926 226 HZ2 LYS 24 1HZ LYS 24 5.741 -17.430 5.148 227 HZ3 LYS 24 2HZ LYS 24 4.082 -17.662 4.889 228 H ALA 25 H ALA 25 10.245 -13.496 0.589 229 HA ALA 25 HA ALA 25 10.887 -14.227 -2.055 230 HB1 ALA 25 1HB ALA 25 12.139 -12.078 -0.357 231 HB2 ALA 25 2HB ALA 25 10.658 -11.910 -1.300 232 HB3 ALA 25 3HB ALA 25 12.195 -12.193 -2.117 233 H LYS 26 H LYS 26 12.584 -14.741 0.948 234 HA LYS 26 HA LYS 26 15.137 -15.253 -0.232 235 HB2 LYS 26 2HB LYS 26 13.969 -16.042 2.437 236 HB3 LYS 26 1HB LYS 26 15.620 -16.407 1.960 237 HG2 LYS 26 2HG LYS 26 16.054 -13.995 1.717 238 HG3 LYS 26 1HG LYS 26 14.411 -13.669 2.271 239 HD2 LYS 26 2HD LYS 26 14.897 -14.756 4.398 240 HD3 LYS 26 1HD LYS 26 16.525 -15.139 3.844 241 HE2 LYS 26 2HE LYS 26 17.041 -12.763 3.682 242 HE3 LYS 26 1HE LYS 26 15.400 -12.363 4.191 243 HZ1 LYS 26 3HZ LYS 26 17.399 -13.841 5.825 244 HZ2 LYS 26 1HZ LYS 26 15.827 -13.434 6.312 245 HZ3 LYS 26 2HZ LYS 26 16.973 -12.218 6.028 246 H GLU 27 H GLU 27 12.274 -17.086 0.333 247 HA GLU 27 HA GLU 27 13.567 -19.626 -0.272 248 HB2 GLU 27 2HB GLU 27 10.691 -18.988 0.433 249 HB3 GLU 27 1HB GLU 27 11.406 -20.595 0.352 250 HG2 GLU 27 2HG GLU 27 12.697 -20.251 2.258 251 HG3 GLU 27 1HG GLU 27 12.519 -18.501 2.178 252 H GLY 28 H GLY 28 10.670 -17.885 -1.362 253 HA2 GLY 28 2HA GLY 28 9.751 -17.559 -3.421 254 HA3 GLY 28 1HA GLY 28 11.394 -17.633 -4.025 255 H ASP 29 H ASP 29 8.713 -19.786 -3.020 256 HA ASP 29 HA ASP 29 9.661 -21.773 -4.912 257 HB2 ASP 29 2HB ASP 29 8.626 -22.373 -2.664 258 HB3 ASP 29 1HB ASP 29 7.076 -21.910 -3.359 259 H GLU 30 H GLU 30 6.237 -20.839 -4.519 260 HA GLU 30 HA GLU 30 6.118 -19.261 -6.848 261 HB2 GLU 30 2HB GLU 30 4.846 -20.781 -8.341 262 HB3 GLU 30 1HB GLU 30 6.518 -21.258 -8.107 263 HG2 GLU 30 2HG GLU 30 5.862 -23.013 -6.603 264 HG3 GLU 30 1HG GLU 30 4.185 -22.474 -6.651 265 H GLN 31 H GLN 31 4.056 -21.634 -5.099 266 HA GLN 31 HA GLN 31 1.651 -20.448 -5.924 267 HB2 GLN 31 2HB GLN 31 2.231 -22.240 -3.568 268 HB3 GLN 31 1HB GLN 31 0.614 -21.783 -4.077 269 HG2 GLN 31 2HG GLN 31 2.595 -23.240 -5.815 270 HG3 GLN 31 1HG GLN 31 1.332 -24.019 -4.866 271 HE21 GLN 31 1HE2 GLN 31 0.347 -24.884 -6.673 272 HE22 GLN 31 2HE2 GLN 31 -0.550 -23.919 -7.799 273 H GLU 32 H GLU 32 3.469 -20.031 -2.899 274 HA GLU 32 HA GLU 32 1.557 -18.376 -1.666 275 HB2 GLU 32 2HB GLU 32 4.524 -18.719 -1.238 276 HB3 GLU 32 1HB GLU 32 3.496 -17.752 -0.207 277 HG2 GLU 32 2HG GLU 32 2.212 -19.677 0.430 278 HG3 GLU 32 1HG GLU 32 3.098 -20.682 -0.718 279 H LEU 33 H LEU 33 4.412 -17.726 -3.635 280 HA LEU 33 HA LEU 33 4.415 -14.920 -3.345 281 HB2 LEU 33 2HB LEU 33 5.454 -16.651 -5.594 282 HB3 LEU 33 1HB LEU 33 5.797 -14.944 -5.423 283 HG LEU 33 HG LEU 33 6.640 -17.122 -3.512 284 HD11 LEU 33 1HD1 LEU 33 8.237 -15.421 -5.421 285 HD12 LEU 33 2HD1 LEU 33 7.871 -17.135 -5.616 286 HD13 LEU 33 3HD1 LEU 33 8.894 -16.599 -4.284 287 HD21 LEU 33 3HD2 LEU 33 7.927 -15.341 -2.400 288 HD22 LEU 33 1HD2 LEU 33 6.187 -15.069 -2.304 289 HD23 LEU 33 2HD2 LEU 33 7.160 -14.150 -3.452 290 H ALA 34 H ALA 34 2.945 -17.057 -5.753 291 HA ALA 34 HA ALA 34 1.949 -15.047 -7.446 292 HB1 ALA 34 1HB ALA 34 0.528 -16.764 -8.388 293 HB2 ALA 34 2HB ALA 34 0.811 -17.799 -6.989 294 HB3 ALA 34 3HB ALA 34 2.138 -17.418 -8.085 295 H ARG 35 H ARG 35 0.423 -16.793 -4.755 296 HA ARG 35 HA ARG 35 -2.090 -15.512 -4.985 297 HB2 ARG 35 2HB ARG 35 -1.615 -17.668 -3.758 298 HB3 ARG 35 1HB ARG 35 -0.903 -16.700 -2.475 299 HG2 ARG 35 2HG ARG 35 -3.078 -15.527 -2.230 300 HG3 ARG 35 1HG ARG 35 -3.763 -16.642 -3.414 301 HD2 ARG 35 2HD ARG 35 -3.091 -18.524 -1.935 302 HD3 ARG 35 1HD ARG 35 -2.581 -17.342 -0.732 303 HE ARG 35 HE ARG 35 -5.362 -17.553 -1.692 304 HH11 ARG 35 1HH1 ARG 35 -3.039 -17.101 0.884 305 HH12 ARG 35 2HH1 ARG 35 -4.237 -17.026 2.137 306 HH21 ARG 35 1HH2 ARG 35 -6.950 -17.450 -0.070 307 HH22 ARG 35 2HH2 ARG 35 -6.479 -17.189 1.589 308 H LEU 36 H LEU 36 0.724 -14.917 -2.908 309 HA LEU 36 HA LEU 36 -0.355 -12.782 -1.449 310 HB2 LEU 36 2HB LEU 36 2.471 -13.544 -2.133 311 HB3 LEU 36 1HB LEU 36 2.111 -12.144 -1.147 312 HG LEU 36 HG LEU 36 1.348 -14.989 -0.479 313 HD11 LEU 36 1HD1 LEU 36 3.453 -13.205 0.735 314 HD12 LEU 36 2HD1 LEU 36 3.764 -14.569 -0.340 315 HD13 LEU 36 3HD1 LEU 36 3.042 -14.842 1.247 316 HD21 LEU 36 3HD2 LEU 36 -0.241 -13.337 0.387 317 HD22 LEU 36 1HD2 LEU 36 1.090 -12.457 1.139 318 HD23 LEU 36 2HD2 LEU 36 0.690 -14.086 1.684 319 H ASN 37 H ASN 37 1.361 -12.842 -4.533 320 HA ASN 37 HA ASN 37 1.749 -10.095 -4.879 321 HB2 ASN 37 2HB ASN 37 2.625 -12.035 -6.311 322 HB3 ASN 37 1HB ASN 37 1.064 -12.005 -7.118 323 HD21 ASN 37 1HD2 ASN 37 3.654 -11.551 -8.258 324 HD22 ASN 37 2HD2 ASN 37 3.643 -9.954 -8.915 325 H GLN 38 H GLN 38 -0.991 -12.148 -5.889 326 HA GLN 38 HA GLN 38 -2.505 -10.061 -6.996 327 HB2 GLN 38 2HB GLN 38 -3.294 -12.778 -5.952 328 HB3 GLN 38 1HB GLN 38 -4.316 -11.729 -6.896 329 HG2 GLN 38 2HG GLN 38 -1.693 -12.808 -7.857 330 HG3 GLN 38 1HG GLN 38 -3.245 -13.570 -8.176 331 HE21 GLN 38 1HE2 GLN 38 -2.700 -10.087 -8.181 332 HE22 GLN 38 2HE2 GLN 38 -2.950 -9.871 -9.879 333 H GLU 39 H GLU 39 -2.337 -11.501 -3.786 334 HA GLU 39 HA GLU 39 -4.600 -10.254 -2.687 335 HB2 GLU 39 2HB GLU 39 -2.582 -11.970 -1.781 336 HB3 GLU 39 1HB GLU 39 -2.449 -10.541 -0.766 337 HG2 GLU 39 2HG GLU 39 -3.908 -12.212 0.229 338 HG3 GLU 39 1HG GLU 39 -4.791 -10.733 -0.147 339 H ILE 40 H ILE 40 -1.204 -9.222 -2.861 340 HA ILE 40 HA ILE 40 -1.405 -6.813 -1.457 341 HB ILE 40 HB ILE 40 0.327 -7.461 -3.854 342 HG12 ILE 40 2HG1 ILE 40 0.994 -7.484 -0.905 343 HG13 ILE 40 1HG1 ILE 40 0.640 -8.918 -1.863 344 HG21 ILE 40 1HG2 ILE 40 1.756 -5.608 -3.130 345 HG22 ILE 40 2HG2 ILE 40 0.589 -5.206 -1.873 346 HG23 ILE 40 3HG2 ILE 40 0.141 -5.050 -3.572 347 HD11 ILE 40 3HD1 ILE 40 2.942 -7.030 -2.297 348 HD12 ILE 40 1HD1 ILE 40 2.589 -8.465 -3.258 349 HD13 ILE 40 2HD1 ILE 40 3.029 -8.628 -1.558 350 H VAL 41 H VAL 41 -1.842 -7.456 -4.921 351 HA VAL 41 HA VAL 41 -2.401 -4.864 -5.767 352 HB VAL 41 HB VAL 41 -3.514 -7.453 -6.872 353 HG11 VAL 41 1HG1 VAL 41 -3.842 -6.226 -8.952 354 HG12 VAL 41 2HG1 VAL 41 -3.268 -4.746 -8.183 355 HG13 VAL 41 3HG1 VAL 41 -4.772 -5.494 -7.644 356 HG21 VAL 41 3HG2 VAL 41 -1.664 -7.326 -8.464 357 HG22 VAL 41 1HG2 VAL 41 -1.073 -7.415 -6.803 358 HG23 VAL 41 2HG2 VAL 41 -1.068 -5.873 -7.660 359 H LYS 42 H LYS 42 -4.649 -7.407 -4.699 360 HA LYS 42 HA LYS 42 -6.998 -5.878 -5.028 361 HB2 LYS 42 2HB LYS 42 -7.120 -8.290 -4.846 362 HB3 LYS 42 1HB LYS 42 -6.424 -8.243 -3.233 363 HG2 LYS 42 2HG LYS 42 -8.418 -6.996 -2.454 364 HG3 LYS 42 1HG LYS 42 -9.119 -7.185 -4.062 365 HD2 LYS 42 2HD LYS 42 -9.108 -9.590 -3.822 366 HD3 LYS 42 1HD LYS 42 -8.291 -9.458 -2.264 367 HE2 LYS 42 2HE LYS 42 -10.224 -8.253 -1.358 368 HE3 LYS 42 1HE LYS 42 -11.040 -8.395 -2.915 369 HZ1 LYS 42 3HZ LYS 42 -11.011 -10.796 -2.680 370 HZ2 LYS 42 1HZ LYS 42 -11.794 -10.082 -1.356 371 HZ3 LYS 42 2HZ LYS 42 -10.211 -10.673 -1.189 372 H ALA 43 H ALA 43 -4.904 -6.407 -2.207 373 HA ALA 43 HA ALA 43 -6.618 -5.181 -0.336 374 HB1 ALA 43 1HB ALA 43 -4.816 -6.714 0.290 375 HB2 ALA 43 2HB ALA 43 -4.714 -5.185 1.164 376 HB3 ALA 43 3HB ALA 43 -3.626 -5.504 -0.190 377 H GLU 44 H GLU 44 -3.780 -3.884 -2.077 378 HA GLU 44 HA GLU 44 -4.006 -1.342 -0.820 379 HB2 GLU 44 2HB GLU 44 -1.863 -2.128 -1.711 380 HB3 GLU 44 1HB GLU 44 -2.517 -2.079 -3.344 381 HG2 GLU 44 2HG GLU 44 -2.602 0.247 -3.376 382 HG3 GLU 44 1HG GLU 44 -2.490 0.369 -1.623 383 H LYS 45 H LYS 45 -5.134 -2.655 -3.902 384 HA LYS 45 HA LYS 45 -6.039 -0.235 -5.011 385 HB2 LYS 45 2HB LYS 45 -5.789 -2.414 -6.225 386 HB3 LYS 45 1HB LYS 45 -7.249 -2.971 -5.423 387 HG2 LYS 45 2HG LYS 45 -8.539 -1.222 -6.494 388 HG3 LYS 45 1HG LYS 45 -7.078 -0.592 -7.257 389 HD2 LYS 45 2HD LYS 45 -6.803 -2.741 -8.442 390 HD3 LYS 45 1HD LYS 45 -8.305 -3.313 -7.711 391 HE2 LYS 45 2HE LYS 45 -9.521 -1.489 -8.803 392 HE3 LYS 45 1HE LYS 45 -8.020 -0.938 -9.546 393 HZ1 LYS 45 3HZ LYS 45 -7.858 -3.039 -10.720 394 HZ2 LYS 45 1HZ LYS 45 -9.337 -2.289 -11.068 395 HZ3 LYS 45 2HZ LYS 45 -9.281 -3.591 -9.985 396 H GLN 46 H GLN 46 -7.576 -2.564 -2.857 397 HA GLN 46 HA GLN 46 -10.112 -1.325 -2.729 398 HB2 GLN 46 2HB GLN 46 -9.510 -3.639 -1.898 399 HB3 GLN 46 1HB GLN 46 -8.750 -2.866 -0.518 400 HG2 GLN 46 2HG GLN 46 -10.901 -1.852 0.085 401 HG3 GLN 46 1HG GLN 46 -11.658 -2.690 -1.270 402 HE21 GLN 46 1HE2 GLN 46 -9.145 -4.091 0.703 403 HE22 GLN 46 2HE2 GLN 46 -10.135 -5.279 1.480 404 H GLY 47 H GLY 47 -7.144 -0.962 -0.853 405 HA2 GLY 47 2HA GLY 47 -8.084 0.849 1.077 406 HA3 GLY 47 1HA GLY 47 -6.411 0.686 0.567 407 H VAL 48 H VAL 48 -6.748 1.410 -2.152 408 HA VAL 48 HA VAL 48 -6.480 4.184 -2.043 409 HB VAL 48 HB VAL 48 -7.282 2.503 -4.430 410 HG11 VAL 48 1HG1 VAL 48 -6.411 4.333 -5.793 411 HG12 VAL 48 2HG1 VAL 48 -6.104 5.278 -4.337 412 HG13 VAL 48 3HG1 VAL 48 -7.758 4.874 -4.793 413 HG21 VAL 48 3HG2 VAL 48 -4.572 3.432 -3.497 414 HG22 VAL 48 1HG2 VAL 48 -4.900 2.566 -4.998 415 HG23 VAL 48 2HG2 VAL 48 -5.180 1.778 -3.445 416 H LYS 49 H LYS 49 -9.310 2.205 -2.786 417 HA LYS 49 HA LYS 49 -11.050 4.294 -3.510 418 HB2 LYS 49 2HB LYS 49 -11.517 1.924 -3.955 419 HB3 LYS 49 1HB LYS 49 -11.687 1.628 -2.235 420 HG2 LYS 49 2HG LYS 49 -13.649 3.017 -2.136 421 HG3 LYS 49 1HG LYS 49 -13.443 3.487 -3.825 422 HD2 LYS 49 2HD LYS 49 -13.909 0.663 -2.873 423 HD3 LYS 49 1HD LYS 49 -15.169 1.733 -3.488 424 HE2 LYS 49 2HE LYS 49 -14.009 1.884 -5.629 425 HE3 LYS 49 1HE LYS 49 -12.721 0.847 -5.014 426 HZ1 LYS 49 3HZ LYS 49 -15.564 0.025 -5.246 427 HZ2 LYS 49 1HZ LYS 49 -14.252 -0.964 -4.822 428 HZ3 LYS 49 2HZ LYS 49 -14.367 -0.334 -6.392 429 H VAL 50 H VAL 50 -10.436 2.721 -0.405 430 HA VAL 50 HA VAL 50 -12.339 4.186 1.086 431 HB VAL 50 HB VAL 50 -9.800 2.939 2.155 432 HG11 VAL 50 1HG1 VAL 50 -12.466 3.503 3.449 433 HG12 VAL 50 2HG1 VAL 50 -10.959 4.369 3.747 434 HG13 VAL 50 3HG1 VAL 50 -11.109 2.674 4.213 435 HG21 VAL 50 3HG2 VAL 50 -12.489 1.662 1.651 436 HG22 VAL 50 1HG2 VAL 50 -11.156 0.913 2.528 437 HG23 VAL 50 2HG2 VAL 50 -10.980 1.294 0.814 438 H TYR 51 H TYR 51 -8.890 4.694 0.455 439 HA TYR 51 HA TYR 51 -8.557 6.992 2.051 440 HB2 TYR 51 2HB TYR 51 -7.100 5.818 -0.275 441 HB3 TYR 51 1HB TYR 51 -6.749 7.483 0.172 442 HD1 TYR 51 1HD TYR 51 -6.552 3.973 1.260 443 HD2 TYR 51 2HD TYR 51 -5.570 8.003 2.192 444 HE1 TYR 51 1HE TYR 51 -4.990 3.187 2.992 445 HE2 TYR 51 2HE TYR 51 -4.004 7.231 3.920 446 HH TYR 51 HH TYR 51 -3.019 3.983 4.188 447 H LYS 52 H LYS 52 -9.523 6.596 -1.330 448 HA LYS 52 HA LYS 52 -9.570 9.320 -2.023 449 HB2 LYS 52 2HB LYS 52 -9.911 6.999 -3.383 450 HB3 LYS 52 1HB LYS 52 -11.578 7.551 -3.294 451 HG2 LYS 52 2HG LYS 52 -9.413 9.381 -4.246 452 HG3 LYS 52 1HG LYS 52 -10.142 8.198 -5.332 453 HD2 LYS 52 2HD LYS 52 -11.745 10.203 -3.756 454 HD3 LYS 52 1HD LYS 52 -11.151 10.510 -5.388 455 HE2 LYS 52 2HE LYS 52 -12.339 8.410 -6.097 456 HE3 LYS 52 1HE LYS 52 -13.081 8.378 -4.499 457 HZ1 LYS 52 3HZ LYS 52 -14.094 10.515 -4.934 458 HZ2 LYS 52 1HZ LYS 52 -14.498 9.430 -6.176 459 HZ3 LYS 52 2HZ LYS 52 -13.319 10.614 -6.444 460 H GLU 53 H GLU 53 -11.994 7.215 -0.566 461 HA GLU 53 HA GLU 53 -14.201 8.896 -0.588 462 HB2 GLU 53 2HB GLU 53 -13.816 6.409 0.143 463 HB3 GLU 53 1HB GLU 53 -13.542 7.114 1.727 464 HG2 GLU 53 2HG GLU 53 -16.015 7.757 0.201 465 HG3 GLU 53 1HG GLU 53 -15.865 6.244 1.079 466 H ALA 54 H ALA 54 -11.644 8.537 1.861 467 HA ALA 54 HA ALA 54 -12.673 10.595 3.555 468 HB1 ALA 54 1HB ALA 54 -9.907 9.393 3.531 469 HB2 ALA 54 2HB ALA 54 -11.296 8.721 4.384 470 HB3 ALA 54 3HB ALA 54 -10.654 10.297 4.846 471 H ALA 55 H ALA 55 -10.331 10.501 0.952 472 HA ALA 55 HA ALA 55 -8.951 12.880 1.443 473 HB1 ALA 55 1HB ALA 55 -8.325 12.813 -0.916 474 HB2 ALA 55 2HB ALA 55 -9.588 11.620 -1.226 475 HB3 ALA 55 3HB ALA 55 -8.221 11.211 -0.187 476 H GLU 56 H GLU 56 -11.998 12.336 -0.270 477 HA GLU 56 HA GLU 56 -12.184 15.086 -1.094 478 HB2 GLU 56 2HB GLU 56 -14.275 12.906 -1.113 479 HB3 GLU 56 1HB GLU 56 -14.431 14.476 -1.890 480 HG2 GLU 56 2HG GLU 56 -12.463 13.927 -3.290 481 HG3 GLU 56 1HG GLU 56 -12.450 12.316 -2.571 482 H LYS 57 H LYS 57 -12.884 13.348 1.737 483 HA LYS 57 HA LYS 57 -14.859 15.217 2.734 484 HB2 LYS 57 2HB LYS 57 -13.561 12.755 3.828 485 HB3 LYS 57 1HB LYS 57 -14.439 13.828 4.895 486 HG2 LYS 57 2HG LYS 57 -16.436 13.541 3.451 487 HG3 LYS 57 1HG LYS 57 -15.527 12.360 2.505 488 HD2 LYS 57 2HD LYS 57 -16.062 12.134 5.469 489 HD3 LYS 57 1HD LYS 57 -17.020 11.341 4.217 490 HE2 LYS 57 2HE LYS 57 -14.923 10.226 3.435 491 HE3 LYS 57 1HE LYS 57 -14.104 10.906 4.840 492 HZ1 LYS 57 3HZ LYS 57 -15.167 9.498 6.258 493 HZ2 LYS 57 1HZ LYS 57 -15.163 8.517 4.873 494 HZ3 LYS 57 2HZ LYS 57 -16.557 9.378 5.290 495 H ALA 58 H ALA 58 -11.655 15.425 2.260 496 HA ALA 58 HA ALA 58 -10.691 16.386 4.741 497 HB1 ALA 58 1HB ALA 58 -9.215 15.609 2.937 498 HB2 ALA 58 2HB ALA 58 -8.793 17.228 3.496 499 HB3 ALA 58 3HB ALA 58 -9.666 17.018 1.977 500 H ARG 59 H ARG 59 -11.246 18.147 5.766 501 HA ARG 59 HA ARG 59 -12.761 20.267 4.663 502 HB2 ARG 59 2HB ARG 59 -11.224 19.956 7.240 503 HB3 ARG 59 1HB ARG 59 -12.133 21.411 6.858 504 HG2 ARG 59 2HG ARG 59 -13.501 18.771 6.714 505 HG3 ARG 59 1HG ARG 59 -13.192 19.505 8.286 506 HD2 ARG 59 2HD ARG 59 -14.594 20.919 6.027 507 HD3 ARG 59 1HD ARG 59 -15.434 20.031 7.300 508 HE ARG 59 HE ARG 59 -13.955 21.679 8.762 509 HH11 ARG 59 1HH1 ARG 59 -15.884 22.362 5.915 510 HH12 ARG 59 2HH1 ARG 59 -16.207 24.006 6.388 511 HH21 ARG 59 1HH2 ARG 59 -14.395 23.811 9.377 512 HH22 ARG 59 2HH2 ARG 59 -15.340 24.837 8.338 513 H ASN 60 H ASN 60 -9.340 19.885 5.422 514 HA ASN 60 HA ASN 60 -8.736 22.519 4.329 515 HB2 ASN 60 2HB ASN 60 -7.594 21.997 6.377 516 HB3 ASN 60 1HB ASN 60 -7.031 20.458 5.738 517 HD21 ASN 60 1HD2 ASN 60 -6.635 23.914 5.667 518 HD22 ASN 60 2HD2 ASN 60 -5.086 23.917 4.889 519 HA PRO 61 HA PRO 61 -7.995 20.733 0.355 520 HB2 PRO 61 2HB PRO 61 -6.850 22.909 -0.809 521 HB3 PRO 61 1HB PRO 61 -8.589 22.751 -0.531 522 HG2 PRO 61 2HG PRO 61 -6.540 24.243 1.056 523 HG3 PRO 61 1HG PRO 61 -8.190 24.722 0.622 524 HD2 PRO 61 2HD PRO 61 -7.538 23.758 3.071 525 HD3 PRO 61 1HD PRO 61 -9.130 23.503 2.328 526 H GLU 62 H GLU 62 -5.381 22.258 2.186 527 HA GLU 62 HA GLU 62 -3.281 21.596 0.402 528 HB2 GLU 62 2HB GLU 62 -3.157 23.305 2.212 529 HB3 GLU 62 1HB GLU 62 -3.123 22.006 3.379 530 HG2 GLU 62 2HG GLU 62 -1.046 21.170 2.418 531 HG3 GLU 62 1HG GLU 62 -1.067 22.478 1.239 532 H LYS 63 H LYS 63 -4.481 20.104 3.353 533 HA LYS 63 HA LYS 63 -2.656 17.917 3.222 534 HB2 LYS 63 2HB LYS 63 -3.876 16.952 5.067 535 HB3 LYS 63 1HB LYS 63 -3.656 18.671 5.344 536 HG2 LYS 63 2HG LYS 63 -5.983 19.034 4.553 537 HG3 LYS 63 1HG LYS 63 -6.173 17.281 4.468 538 HD2 LYS 63 2HD LYS 63 -5.510 18.888 6.935 539 HD3 LYS 63 1HD LYS 63 -7.065 18.141 6.568 540 HE2 LYS 63 2HE LYS 63 -6.116 15.946 6.713 541 HE3 LYS 63 1HE LYS 63 -4.486 16.605 6.849 542 HZ1 LYS 63 3HZ LYS 63 -4.995 17.494 8.987 543 HZ2 LYS 63 1HZ LYS 63 -5.469 15.864 8.987 544 HZ3 LYS 63 2HZ LYS 63 -6.636 17.090 8.840 545 H ARG 64 H ARG 64 -5.727 18.547 1.772 546 HA ARG 64 HA ARG 64 -6.428 15.881 1.126 547 HB2 ARG 64 2HB ARG 64 -8.096 17.591 0.840 548 HB3 ARG 64 1HB ARG 64 -7.060 18.493 -0.261 549 HG2 ARG 64 2HG ARG 64 -7.197 16.631 -1.871 550 HG3 ARG 64 1HG ARG 64 -8.296 15.794 -0.778 551 HD2 ARG 64 2HD ARG 64 -9.954 17.489 -1.037 552 HD3 ARG 64 1HD ARG 64 -8.830 18.530 -1.911 553 HE ARG 64 HE ARG 64 -8.843 16.415 -3.505 554 HH11 ARG 64 1HH1 ARG 64 -11.553 18.027 -1.965 555 HH12 ARG 64 2HH1 ARG 64 -12.664 17.628 -3.236 556 HH21 ARG 64 1HH2 ARG 64 -10.277 15.885 -5.152 557 HH22 ARG 64 2HH2 ARG 64 -11.939 16.397 -5.060 558 H GLN 65 H GLN 65 -4.469 18.327 -0.499 559 HA GLN 65 HA GLN 65 -3.892 16.933 -2.855 560 HB2 GLN 65 2HB GLN 65 -3.075 19.345 -1.625 561 HB3 GLN 65 1HB GLN 65 -1.606 18.452 -1.981 562 HG2 GLN 65 2HG GLN 65 -2.038 19.855 -3.830 563 HG3 GLN 65 1HG GLN 65 -2.421 18.209 -4.330 564 HE21 GLN 65 1HE2 GLN 65 -3.314 20.771 -5.386 565 HE22 GLN 65 2HE2 GLN 65 -5.041 20.753 -5.319 566 H VAL 66 H VAL 66 -2.360 16.860 0.317 567 HA VAL 66 HA VAL 66 -0.177 15.215 -0.316 568 HB VAL 66 HB VAL 66 -1.707 15.305 2.293 569 HG11 VAL 66 1HG1 VAL 66 1.108 14.410 1.671 570 HG12 VAL 66 2HG1 VAL 66 -0.231 13.396 2.214 571 HG13 VAL 66 3HG1 VAL 66 0.446 14.616 3.295 572 HG21 VAL 66 3HG2 VAL 66 -0.058 16.976 2.994 573 HG22 VAL 66 1HG2 VAL 66 -1.005 17.532 1.613 574 HG23 VAL 66 2HG2 VAL 66 0.645 16.957 1.375 575 H ILE 67 H ILE 67 -3.446 14.400 0.810 576 HA ILE 67 HA ILE 67 -3.063 11.594 0.819 577 HB ILE 67 HB ILE 67 -5.668 13.088 0.459 578 HG12 ILE 67 2HG1 ILE 67 -4.348 12.122 3.009 579 HG13 ILE 67 1HG1 ILE 67 -4.418 13.800 2.483 580 HG21 ILE 67 1HG2 ILE 67 -5.086 10.284 1.415 581 HG22 ILE 67 2HG2 ILE 67 -5.858 10.737 -0.104 582 HG23 ILE 67 3HG2 ILE 67 -6.672 11.055 1.429 583 HD11 ILE 67 3HD1 ILE 67 -6.091 13.288 4.188 584 HD12 ILE 67 1HD1 ILE 67 -6.804 12.081 3.119 585 HD13 ILE 67 2HD1 ILE 67 -6.829 13.784 2.666 586 H ASP 68 H ASP 68 -4.267 13.849 -1.613 587 HA ASP 68 HA ASP 68 -5.056 11.945 -3.547 588 HB2 ASP 68 2HB ASP 68 -5.587 14.447 -3.470 589 HB3 ASP 68 1HB ASP 68 -3.985 14.708 -4.144 590 H LYS 69 H LYS 69 -1.973 13.578 -2.930 591 HA LYS 69 HA LYS 69 -0.568 12.403 -5.082 592 HB2 LYS 69 2HB LYS 69 0.372 13.463 -2.427 593 HB3 LYS 69 1HB LYS 69 1.477 12.814 -3.631 594 HG2 LYS 69 2HG LYS 69 0.530 14.514 -5.242 595 HG3 LYS 69 1HG LYS 69 -0.278 15.242 -3.851 596 HD2 LYS 69 2HD LYS 69 1.835 16.366 -4.330 597 HD3 LYS 69 1HD LYS 69 1.893 15.561 -2.760 598 HE2 LYS 69 2HE LYS 69 3.061 13.660 -3.803 599 HE3 LYS 69 1HE LYS 69 3.037 14.514 -5.346 600 HZ1 LYS 69 3HZ LYS 69 4.370 15.487 -2.880 601 HZ2 LYS 69 1HZ LYS 69 4.395 16.246 -4.396 602 HZ3 LYS 69 2HZ LYS 69 5.155 14.745 -4.185 603 H ILE 70 H ILE 70 -1.007 11.349 -1.706 604 HA ILE 70 HA ILE 70 0.473 8.975 -1.847 605 HB ILE 70 HB ILE 70 -2.035 9.573 -0.258 606 HG12 ILE 70 2HG1 ILE 70 0.879 9.573 0.558 607 HG13 ILE 70 1HG1 ILE 70 -0.073 11.013 0.214 608 HG21 ILE 70 1HG2 ILE 70 -0.080 7.302 0.084 609 HG22 ILE 70 2HG2 ILE 70 -1.741 7.160 -0.492 610 HG23 ILE 70 3HG2 ILE 70 -1.423 7.682 1.161 611 HD11 ILE 70 3HD1 ILE 70 -0.573 9.047 2.438 612 HD12 ILE 70 1HD1 ILE 70 -1.549 10.475 2.091 613 HD13 ILE 70 2HD1 ILE 70 0.130 10.656 2.600 614 H LEU 71 H LEU 71 -2.887 9.667 -2.673 615 HA LEU 71 HA LEU 71 -3.748 7.149 -3.445 616 HB2 LEU 71 2HB LEU 71 -4.424 9.939 -4.335 617 HB3 LEU 71 1HB LEU 71 -5.242 8.556 -5.004 618 HG LEU 71 HG LEU 71 -5.208 9.308 -2.088 619 HD11 LEU 71 1HD1 LEU 71 -7.550 9.894 -2.423 620 HD12 LEU 71 2HD1 LEU 71 -7.399 9.534 -4.141 621 HD13 LEU 71 3HD1 LEU 71 -6.499 10.877 -3.442 622 HD21 LEU 71 3HD2 LEU 71 -6.919 7.574 -1.851 623 HD22 LEU 71 1HD2 LEU 71 -5.390 6.902 -2.418 624 HD23 LEU 71 2HD2 LEU 71 -6.719 7.148 -3.549 625 H GLU 72 H GLU 72 -2.056 9.642 -5.284 626 HA GLU 72 HA GLU 72 -2.006 8.314 -7.778 627 HB2 GLU 72 2HB GLU 72 -1.595 10.745 -7.368 628 HB3 GLU 72 1HB GLU 72 -0.055 10.338 -6.648 629 HG2 GLU 72 2HG GLU 72 -0.711 9.570 -9.467 630 HG3 GLU 72 1HG GLU 72 -0.079 11.164 -9.061 631 H ASP 73 H ASP 73 0.328 8.478 -5.107 632 HA ASP 73 HA ASP 73 2.301 6.893 -6.318 633 HB2 ASP 73 2HB ASP 73 1.703 7.500 -3.434 634 HB3 ASP 73 1HB ASP 73 2.989 6.382 -3.877 635 H GLU 74 H GLU 74 -0.442 5.952 -4.262 636 HA GLU 74 HA GLU 74 0.207 3.198 -4.221 637 HB2 GLU 74 2HB GLU 74 -2.507 4.504 -3.950 638 HB3 GLU 74 1HB GLU 74 -2.125 2.842 -3.523 639 HG2 GLU 74 2HG GLU 74 -0.880 5.270 -2.247 640 HG3 GLU 74 1HG GLU 74 -2.244 4.375 -1.589 641 H GLU 75 H GLU 75 -1.795 5.149 -6.423 642 HA GLU 75 HA GLU 75 -2.676 3.111 -8.113 643 HB2 GLU 75 2HB GLU 75 -1.996 6.006 -8.573 644 HB3 GLU 75 1HB GLU 75 -2.481 4.989 -9.909 645 HG2 GLU 75 2HG GLU 75 -4.081 5.782 -7.505 646 HG3 GLU 75 1HG GLU 75 -4.409 6.132 -9.201 647 H LYS 76 H LYS 76 0.311 4.950 -8.089 648 HA LYS 76 HA LYS 76 1.546 3.924 -10.382 649 HB2 LYS 76 2HB LYS 76 2.220 5.920 -8.991 650 HB3 LYS 76 1HB LYS 76 2.887 4.803 -7.815 651 HG2 LYS 76 2HG LYS 76 4.396 3.944 -9.601 652 HG3 LYS 76 1HG LYS 76 3.799 5.232 -10.646 653 HD2 LYS 76 2HD LYS 76 5.181 5.623 -7.988 654 HD3 LYS 76 1HD LYS 76 5.931 5.824 -9.568 655 HE2 LYS 76 2HE LYS 76 5.411 8.002 -9.016 656 HE3 LYS 76 1HE LYS 76 4.007 7.533 -9.971 657 HZ1 LYS 76 3HZ LYS 76 4.185 7.715 -7.005 658 HZ2 LYS 76 1HZ LYS 76 2.873 7.032 -7.834 659 HZ3 LYS 76 2HZ LYS 76 3.239 8.667 -8.047 660 H HIS 77 H HIS 77 1.445 2.733 -7.061 661 HA HIS 77 HA HIS 77 3.433 0.733 -7.336 662 HB2 HIS 77 2HB HIS 77 1.121 0.954 -5.402 663 HB3 HIS 77 1HB HIS 77 2.411 -0.235 -5.270 664 HD2 HIS 77 2HD HIS 77 4.573 2.373 -6.171 665 HE1 HIS 77 1HE HIS 77 3.624 3.400 -2.183 666 HE2 HIS 77 2HE HIS 77 5.084 3.945 -4.184 667 H ILE 78 H ILE 78 -0.118 0.580 -7.477 668 HA ILE 78 HA ILE 78 -0.384 -2.160 -7.945 669 HB ILE 78 HB ILE 78 -2.133 0.032 -9.080 670 HG12 ILE 78 2HG1 ILE 78 -2.419 -1.445 -6.451 671 HG13 ILE 78 1HG1 ILE 78 -1.765 0.183 -6.607 672 HG21 ILE 78 1HG2 ILE 78 -2.697 -2.877 -8.507 673 HG22 ILE 78 2HG2 ILE 78 -2.584 -2.119 -10.097 674 HG23 ILE 78 3HG2 ILE 78 -3.903 -1.687 -9.008 675 HD11 ILE 78 3HD1 ILE 78 -3.896 0.945 -7.515 676 HD12 ILE 78 1HD1 ILE 78 -4.082 0.234 -5.911 677 HD13 ILE 78 2HD1 ILE 78 -4.548 -0.683 -7.343 678 H GLU 79 H GLU 79 0.238 0.498 -10.154 679 HA GLU 79 HA GLU 79 0.037 -0.923 -12.566 680 HB2 GLU 79 2HB GLU 79 1.435 1.613 -11.759 681 HB3 GLU 79 1HB GLU 79 1.518 1.001 -13.399 682 HG2 GLU 79 2HG GLU 79 -0.882 1.121 -13.618 683 HG3 GLU 79 1HG GLU 79 -1.034 1.610 -11.933 684 H TRP 80 H TRP 80 2.778 -0.345 -10.382 685 HA TRP 80 HA TRP 80 4.784 -1.530 -11.959 686 HB2 TRP 80 2HB TRP 80 4.528 -1.384 -8.950 687 HB3 TRP 80 1HB TRP 80 5.965 -1.947 -9.786 688 HD1 TRP 80 HD TRP 80 5.212 0.690 -11.974 689 HE1 TRP 80 1HE TRP 80 6.266 2.932 -11.267 690 HE3 TRP 80 3HE TRP 80 6.279 -0.418 -7.102 691 HZ2 TRP 80 2HZ TRP 80 7.407 4.067 -8.949 692 HZ3 TRP 80 3HZ TRP 80 7.352 1.297 -5.707 693 HH2 TRP 80 HH TRP 80 7.906 3.494 -6.617 694 H HIS 81 H HIS 81 2.583 -2.927 -9.554 695 HA HIS 81 HA HIS 81 3.739 -5.509 -9.624 696 HB2 HIS 81 2HB HIS 81 1.145 -4.446 -8.556 697 HB3 HIS 81 1HB HIS 81 1.477 -6.177 -8.564 698 HD1 HIS 81 1HD HIS 81 3.321 -7.039 -6.926 699 HD2 HIS 81 2HD HIS 81 2.644 -2.943 -6.759 700 HE1 HIS 81 1HE HIS 81 4.599 -6.188 -4.909 701 H LYS 82 H LYS 82 1.226 -3.994 -11.549 702 HA LYS 82 HA LYS 82 0.265 -6.337 -12.770 703 HB2 LYS 82 2HB LYS 82 -0.909 -4.232 -13.080 704 HB3 LYS 82 1HB LYS 82 0.479 -3.546 -13.919 705 HG2 LYS 82 2HG LYS 82 0.210 -5.103 -15.734 706 HG3 LYS 82 1HG LYS 82 -1.091 -5.927 -14.877 707 HD2 LYS 82 2HD LYS 82 -2.480 -3.943 -15.026 708 HD3 LYS 82 1HD LYS 82 -1.164 -3.057 -15.806 709 HE2 LYS 82 2HE LYS 82 -1.228 -4.529 -17.702 710 HE3 LYS 82 1HE LYS 82 -2.402 -5.571 -16.904 711 HZ1 LYS 82 3HZ LYS 82 -2.868 -2.769 -17.772 712 HZ2 LYS 82 1HZ LYS 82 -3.994 -3.748 -16.967 713 HZ3 LYS 82 2HZ LYS 82 -3.465 -4.165 -18.522 714 H ALA 83 H ALA 83 2.990 -4.224 -13.588 715 HA ALA 83 HA ALA 83 3.795 -5.665 -15.895 716 HB1 ALA 83 1HB ALA 83 5.901 -4.453 -15.691 717 HB2 ALA 83 2HB ALA 83 5.453 -3.931 -14.067 718 HB3 ALA 83 3HB ALA 83 4.527 -3.370 -15.461 719 H ALA 84 H ALA 84 4.416 -5.990 -12.483 720 HA ALA 84 HA ALA 84 6.519 -7.887 -12.625 721 HB1 ALA 84 1HB ALA 84 6.054 -6.560 -10.620 722 HB2 ALA 84 2HB ALA 84 6.059 -8.289 -10.271 723 HB3 ALA 84 3HB ALA 84 4.529 -7.421 -10.407 724 H SER 85 H SER 85 3.066 -8.131 -12.888 725 HA SER 85 HA SER 85 2.672 -10.795 -12.150 726 HB2 SER 85 2HB SER 85 1.160 -9.184 -14.216 727 HB3 SER 85 1HB SER 85 0.588 -10.663 -13.449 728 HG SER 85 HG SER 85 1.391 -8.511 -11.827 729 H LYS 86 H LYS 86 4.165 -9.485 -14.971 730 HA LYS 86 HA LYS 86 4.003 -12.018 -16.401 731 HB2 LYS 86 2HB LYS 86 5.067 -9.302 -17.101 732 HB3 LYS 86 1HB LYS 86 5.520 -10.712 -18.048 733 HG2 LYS 86 2HG LYS 86 3.094 -11.156 -18.408 734 HG3 LYS 86 1HG LYS 86 2.757 -9.609 -17.626 735 HD2 LYS 86 2HD LYS 86 3.847 -8.397 -19.331 736 HD3 LYS 86 1HD LYS 86 4.617 -9.848 -19.975 737 HE2 LYS 86 2HE LYS 86 1.679 -9.181 -20.053 738 HE3 LYS 86 1HE LYS 86 2.798 -9.165 -21.416 739 HZ1 LYS 86 3HZ LYS 86 1.622 -11.200 -21.518 740 HZ2 LYS 86 1HZ LYS 86 1.862 -11.520 -19.871 741 HZ3 LYS 86 2HZ LYS 86 3.171 -11.588 -20.944 742 H GLN 87 H GLN 87 5.346 -13.563 -15.804 743 HA GLN 87 HA GLN 87 7.225 -14.702 -15.233 744 HB2 GLN 87 2HB GLN 87 8.550 -12.240 -16.384 745 HB3 GLN 87 1HB GLN 87 9.432 -13.677 -15.886 746 HG2 GLN 87 2HG GLN 87 7.315 -13.570 -18.026 747 HG3 GLN 87 1HG GLN 87 9.058 -13.634 -18.291 748 HE21 GLN 87 1HE2 GLN 87 10.174 -15.529 -17.858 749 HE22 GLN 87 2HE2 GLN 87 9.374 -17.051 -17.675 750 H GLY 88 H GLY 88 9.672 -13.896 -14.131 751 HA2 GLY 88 2HA GLY 88 10.226 -12.076 -12.417 752 HA3 GLY 88 1HA GLY 88 8.768 -12.651 -11.617 753 H ASN 89 H ASN 89 11.394 -12.579 -10.536 754 HA ASN 89 HA ASN 89 11.631 -15.402 -9.825 755 HB2 ASN 89 2HB ASN 89 13.410 -14.473 -11.580 756 HB3 ASN 89 1HB ASN 89 14.161 -13.840 -10.119 757 HD21 ASN 89 1HD2 ASN 89 15.141 -15.838 -11.952 758 HD22 ASN 89 2HD2 ASN 89 15.377 -17.291 -11.039 759 H ALA 90 H ALA 90 13.281 -15.470 -7.852 760 HA ALA 90 HA ALA 90 11.878 -14.227 -5.787 761 HB1 ALA 90 1HB ALA 90 14.643 -15.416 -5.691 762 HB2 ALA 90 2HB ALA 90 13.127 -16.301 -5.516 763 HB3 ALA 90 3HB ALA 90 13.594 -15.106 -4.305 764 H GLU 91 H GLU 91 15.125 -13.426 -7.046 765 HA GLU 91 HA GLU 91 15.679 -11.423 -5.165 766 HB2 GLU 91 2HB GLU 91 16.741 -11.957 -7.928 767 HB3 GLU 91 1HB GLU 91 17.394 -10.721 -6.874 768 HG2 GLU 91 2HG GLU 91 18.181 -12.288 -5.325 769 HG3 GLU 91 1HG GLU 91 17.188 -13.576 -6.009 770 H GLN 92 H GLN 92 14.474 -11.144 -8.508 771 HA GLN 92 HA GLN 92 14.239 -8.326 -8.434 772 HB2 GLN 92 2HB GLN 92 13.176 -10.466 -10.230 773 HB3 GLN 92 1HB GLN 92 12.543 -8.830 -10.371 774 HG2 GLN 92 2HG GLN 92 15.451 -9.581 -10.568 775 HG3 GLN 92 1HG GLN 92 14.382 -9.276 -11.937 776 HE21 GLN 92 1HE2 GLN 92 16.837 -7.887 -11.066 777 HE22 GLN 92 2HE2 GLN 92 16.379 -6.224 -10.861 778 H PHE 93 H PHE 93 12.021 -10.911 -7.532 779 HA PHE 93 HA PHE 93 9.734 -9.233 -7.302 780 HB2 PHE 93 2HB PHE 93 9.719 -11.764 -7.476 781 HB3 PHE 93 1HB PHE 93 10.217 -11.802 -5.787 782 HD1 PHE 93 1HD PHE 93 7.800 -9.510 -7.422 783 HD2 PHE 93 2HD PHE 93 8.384 -12.732 -4.707 784 HE1 PHE 93 1HE PHE 93 5.449 -9.336 -6.721 785 HE2 PHE 93 2HE PHE 93 6.035 -12.563 -3.996 786 HZ PHE 93 HZ PHE 93 4.566 -10.862 -5.003 787 H ALA 94 H ALA 94 12.180 -10.374 -5.009 788 HA ALA 94 HA ALA 94 11.167 -9.170 -2.687 789 HB1 ALA 94 1HB ALA 94 12.979 -10.827 -2.676 790 HB2 ALA 94 2HB ALA 94 13.432 -9.364 -1.801 791 HB3 ALA 94 3HB ALA 94 14.055 -9.649 -3.427 792 H SER 95 H SER 95 13.248 -7.945 -5.242 793 HA SER 95 HA SER 95 13.943 -5.486 -4.101 794 HB2 SER 95 2HB SER 95 15.013 -6.491 -6.122 795 HB3 SER 95 1HB SER 95 13.556 -6.123 -7.041 796 HG SER 95 HG SER 95 15.582 -4.445 -6.135 797 H LEU 96 H LEU 96 11.213 -6.390 -6.196 798 HA LEU 96 HA LEU 96 10.059 -3.845 -6.437 799 HB2 LEU 96 2HB LEU 96 9.379 -5.696 -7.843 800 HB3 LEU 96 1HB LEU 96 8.791 -6.582 -6.453 801 HG LEU 96 HG LEU 96 7.001 -4.942 -6.127 802 HD11 LEU 96 1HD1 LEU 96 8.064 -3.626 -8.631 803 HD12 LEU 96 2HD1 LEU 96 8.177 -2.965 -7.001 804 HD13 LEU 96 3HD1 LEU 96 6.599 -3.181 -7.757 805 HD21 LEU 96 3HD2 LEU 96 5.696 -5.469 -8.113 806 HD22 LEU 96 1HD2 LEU 96 6.597 -6.877 -7.552 807 HD23 LEU 96 2HD2 LEU 96 7.162 -5.970 -8.954 808 H VAL 97 H VAL 97 9.462 -6.448 -4.125 809 HA VAL 97 HA VAL 97 7.414 -5.174 -2.690 810 HB VAL 97 HB VAL 97 9.388 -7.256 -1.728 811 HG11 VAL 97 1HG1 VAL 97 7.725 -7.783 -0.017 812 HG12 VAL 97 2HG1 VAL 97 6.727 -6.437 -0.569 813 HG13 VAL 97 3HG1 VAL 97 8.310 -6.127 0.147 814 HG21 VAL 97 3HG2 VAL 97 7.572 -8.843 -2.221 815 HG22 VAL 97 1HG2 VAL 97 8.129 -7.997 -3.665 816 HG23 VAL 97 2HG2 VAL 97 6.619 -7.521 -2.891 817 H GLN 98 H GLN 98 10.927 -5.179 -2.235 818 HA GLN 98 HA GLN 98 10.997 -3.752 0.186 819 HB2 GLN 98 2HB GLN 98 12.931 -4.952 -0.710 820 HB3 GLN 98 1HB GLN 98 13.017 -3.836 -2.065 821 HG2 GLN 98 2HG GLN 98 13.445 -2.002 -0.446 822 HG3 GLN 98 1HG GLN 98 13.516 -3.214 0.832 823 HE21 GLN 98 1HE2 GLN 98 15.662 -2.756 1.316 824 HE22 GLN 98 2HE2 GLN 98 16.959 -3.214 0.269 825 H GLN 99 H GLN 99 11.115 -2.629 -3.175 826 HA GLN 99 HA GLN 99 11.464 0.110 -2.561 827 HB2 GLN 99 2HB GLN 99 10.333 -1.197 -5.041 828 HB3 GLN 99 1HB GLN 99 10.812 0.492 -4.922 829 HG2 GLN 99 2HG GLN 99 13.113 -0.180 -4.485 830 HG3 GLN 99 1HG GLN 99 12.640 -1.875 -4.564 831 HE21 GLN 99 1HE2 GLN 99 14.016 -2.328 -6.257 832 HE22 GLN 99 2HE2 GLN 99 13.752 -1.743 -7.864 833 H HIS 100 H HIS 100 8.620 -1.896 -3.047 834 HA HIS 100 HA HIS 100 6.713 0.213 -2.935 835 HB2 HIS 100 2HB HIS 100 6.380 -2.177 -3.804 836 HB3 HIS 100 1HB HIS 100 6.259 -2.670 -2.122 837 HD1 HIS 100 1HD HIS 100 3.891 -3.070 -4.080 838 HD2 HIS 100 2HD HIS 100 4.353 0.202 -1.564 839 HE1 HIS 100 1HE HIS 100 1.578 -2.124 -3.717 840 H LEU 101 H LEU 101 8.151 -1.961 -0.559 841 HA LEU 101 HA LEU 101 6.568 -1.387 1.656 842 HB2 LEU 101 2HB LEU 101 8.983 -2.784 1.075 843 HB3 LEU 101 1HB LEU 101 9.237 -1.825 2.518 844 HG LEU 101 HG LEU 101 7.011 -3.833 2.138 845 HD11 LEU 101 1HD1 LEU 101 9.167 -4.933 2.279 846 HD12 LEU 101 2HD1 LEU 101 8.253 -5.184 3.766 847 HD13 LEU 101 3HD1 LEU 101 9.566 -4.008 3.727 848 HD21 LEU 101 3HD2 LEU 101 7.869 -2.270 4.570 849 HD22 LEU 101 1HD2 LEU 101 6.631 -3.526 4.535 850 HD23 LEU 101 2HD2 LEU 101 6.388 -2.021 3.644 851 H GLN 102 H GLN 102 9.563 0.203 0.573 852 HA GLN 102 HA GLN 102 9.912 1.858 2.777 853 HB2 GLN 102 2HB GLN 102 10.815 1.828 -0.058 854 HB3 GLN 102 1HB GLN 102 11.098 3.258 0.895 855 HG2 GLN 102 2HG GLN 102 12.037 0.489 1.567 856 HG3 GLN 102 1HG GLN 102 13.031 1.786 0.904 857 HE21 GLN 102 1HE2 GLN 102 11.428 0.555 3.728 858 HE22 GLN 102 2HE2 GLN 102 12.150 1.639 4.861 859 H ASP 103 H ASP 103 8.015 2.295 -0.173 860 HA ASP 103 HA ASP 103 7.467 5.052 0.267 861 HB2 ASP 103 2HB ASP 103 7.109 3.424 -1.864 862 HB3 ASP 103 1HB ASP 103 5.472 3.444 -1.222 863 H GLU 104 H GLU 104 5.813 2.045 1.071 864 HA GLU 104 HA GLU 104 3.451 3.255 2.067 865 HB2 GLU 104 2HB GLU 104 4.606 0.547 2.743 866 HB3 GLU 104 1HB GLU 104 2.953 1.068 3.038 867 HG2 GLU 104 2HG GLU 104 4.280 0.636 0.377 868 HG3 GLU 104 1HG GLU 104 2.984 -0.316 1.097 869 H GLN 105 H GLN 105 6.480 2.257 3.590 870 HA GLN 105 HA GLN 105 5.728 2.787 6.234 871 HB2 GLN 105 2HB GLN 105 8.379 2.777 4.812 872 HB3 GLN 105 1HB GLN 105 8.245 3.137 6.521 873 HG2 GLN 105 2HG GLN 105 7.206 0.956 6.905 874 HG3 GLN 105 1HG GLN 105 7.358 0.595 5.185 875 HE21 GLN 105 1HE2 GLN 105 9.083 1.065 8.182 876 HE22 GLN 105 2HE2 GLN 105 10.565 0.328 7.672 877 H ARG 106 H ARG 106 6.946 4.847 3.660 878 HA ARG 106 HA ARG 106 7.231 7.225 5.156 879 HB2 ARG 106 2HB ARG 106 8.188 7.014 2.939 880 HB3 ARG 106 1HB ARG 106 6.599 6.759 2.233 881 HG2 ARG 106 2HG ARG 106 5.988 9.062 2.970 882 HG3 ARG 106 1HG ARG 106 7.672 9.293 3.446 883 HD2 ARG 106 2HD ARG 106 6.755 8.545 0.673 884 HD3 ARG 106 1HD ARG 106 7.124 10.186 1.193 885 HE ARG 106 HE ARG 106 9.432 9.211 1.704 886 HH11 ARG 106 1HH1 ARG 106 7.352 8.031 -0.870 887 HH12 ARG 106 2HH1 ARG 106 8.674 7.553 -1.886 888 HH21 ARG 106 1HH2 ARG 106 11.172 8.601 0.337 889 HH22 ARG 106 2HH2 ARG 106 10.836 7.875 -1.212 890 H HIS 107 H HIS 107 4.484 5.794 3.423 891 HA HIS 107 HA HIS 107 2.677 7.929 3.748 892 HB2 HIS 107 2HB HIS 107 2.114 4.952 3.566 893 HB3 HIS 107 1HB HIS 107 0.884 6.207 3.462 894 HD2 HIS 107 2HD HIS 107 3.553 7.700 1.499 895 HE1 HIS 107 1HE HIS 107 1.659 5.077 -1.218 896 HE2 HIS 107 2HE HIS 107 3.507 6.772 -0.920 897 H VAL 108 H VAL 108 3.126 4.990 5.714 898 HA VAL 108 HA VAL 108 1.321 5.664 7.754 899 HB VAL 108 HB VAL 108 3.855 4.022 7.979 900 HG11 VAL 108 1HG1 VAL 108 3.063 4.745 10.174 901 HG12 VAL 108 2HG1 VAL 108 2.810 3.014 9.952 902 HG13 VAL 108 3HG1 VAL 108 1.453 4.130 9.805 903 HG21 VAL 108 3HG2 VAL 108 1.001 3.223 7.426 904 HG22 VAL 108 1HG2 VAL 108 2.322 2.100 7.748 905 HG23 VAL 108 2HG2 VAL 108 2.362 3.120 6.309 906 H GLU 109 H GLU 109 4.770 6.368 7.379 907 HA GLU 109 HA GLU 109 5.252 7.631 9.798 908 HB2 GLU 109 2HB GLU 109 6.440 7.713 7.081 909 HB3 GLU 109 1HB GLU 109 6.891 8.997 8.188 910 HG2 GLU 109 2HG GLU 109 7.179 6.048 8.694 911 HG3 GLU 109 1HG GLU 109 8.476 7.160 8.257 912 H GLU 110 H GLU 110 3.998 8.982 6.774 913 HA GLU 110 HA GLU 110 3.845 11.634 7.751 914 HB2 GLU 110 2HB GLU 110 2.833 10.147 5.370 915 HB3 GLU 110 1HB GLU 110 2.171 11.729 5.713 916 HG2 GLU 110 2HG GLU 110 5.092 11.121 5.351 917 HG3 GLU 110 1HG GLU 110 4.033 11.797 4.115 918 H ILE 111 H ILE 111 1.398 9.071 7.333 919 HA ILE 111 HA ILE 111 -0.804 10.647 8.102 920 HB ILE 111 HB ILE 111 -0.485 7.644 8.233 921 HG12 ILE 111 2HG1 ILE 111 -1.751 9.401 6.116 922 HG13 ILE 111 1HG1 ILE 111 -0.160 8.661 5.988 923 HG21 ILE 111 1HG2 ILE 111 -2.969 9.352 8.349 924 HG22 ILE 111 2HG2 ILE 111 -2.324 8.336 9.640 925 HG23 ILE 111 3HG2 ILE 111 -2.952 7.596 8.167 926 HD11 ILE 111 3HD1 ILE 111 -2.776 7.192 6.209 927 HD12 ILE 111 1HD1 ILE 111 -1.181 6.450 6.076 928 HD13 ILE 111 2HD1 ILE 111 -1.821 7.411 4.742 929 H GLU 112 H GLU 112 1.415 8.685 10.014 930 HA GLU 112 HA GLU 112 -0.082 8.582 12.372 931 HB2 GLU 112 2HB GLU 112 2.752 8.175 11.614 932 HB3 GLU 112 1HB GLU 112 2.402 8.407 13.313 933 HG2 GLU 112 2HG GLU 112 1.056 6.344 11.594 934 HG3 GLU 112 1HG GLU 112 2.487 6.029 12.575 935 H LYS 113 H LYS 113 1.823 11.189 11.036 936 HA LYS 113 HA LYS 113 1.254 12.701 13.479 937 HB2 LYS 113 2HB LYS 113 3.553 13.817 13.132 938 HB3 LYS 113 1HB LYS 113 3.479 12.244 13.909 939 HG2 LYS 113 2HG LYS 113 4.082 11.182 11.783 940 HG3 LYS 113 1HG LYS 113 4.193 12.777 11.034 941 HD2 LYS 113 2HD LYS 113 6.021 13.396 12.420 942 HD3 LYS 113 1HD LYS 113 5.797 11.987 13.457 943 HE2 LYS 113 2HE LYS 113 6.624 11.908 10.555 944 HE3 LYS 113 1HE LYS 113 7.716 11.747 11.931 945 HZ1 LYS 113 3HZ LYS 113 7.190 9.577 11.122 946 HZ2 LYS 113 1HZ LYS 113 5.522 9.897 11.167 947 HZ3 LYS 113 2HZ LYS 113 6.400 9.776 12.611 948 H LYS 114 H LYS 114 0.131 12.664 10.678 949 HA LYS 114 HA LYS 114 0.423 15.568 10.250 950 HB2 LYS 114 2HB LYS 114 -0.112 13.367 8.270 951 HB3 LYS 114 1HB LYS 114 -0.584 15.024 7.930 952 HG2 LYS 114 2HG LYS 114 2.212 14.051 8.479 953 HG3 LYS 114 1HG LYS 114 1.552 14.513 6.909 954 HD2 LYS 114 2HD LYS 114 1.084 16.785 7.958 955 HD3 LYS 114 1HD LYS 114 2.117 16.264 9.288 956 HE2 LYS 114 2HE LYS 114 2.911 16.472 6.384 957 HE3 LYS 114 1HE LYS 114 3.370 17.585 7.668 958 HZ1 LYS 114 3HZ LYS 114 4.445 15.606 8.763 959 HZ2 LYS 114 1HZ LYS 114 5.179 16.156 7.343 960 HZ3 LYS 114 2HZ LYS 114 4.218 14.766 7.308 961 H ASN 115 H ASN 115 -1.197 16.500 11.308 962 HA ASN 115 HA ASN 115 -3.914 15.670 10.618 963 HB2 ASN 115 2HB ASN 115 -3.368 14.697 12.849 964 HB3 ASN 115 1HB ASN 115 -3.069 16.325 13.452 965 HD21 ASN 115 1HD2 ASN 115 -4.797 17.745 13.681 966 HD22 ASN 115 2HD2 ASN 115 -6.431 17.182 13.767 Start of MODEL 4 1 H1 MET 1 H1 MET 1 -15.785 11.505 16.027 2 H2 MET 1 H2 MET 1 -15.201 9.999 16.551 3 H3 MET 1 H3 MET 1 -16.867 10.330 16.594 4 HA MET 1 HA MET 1 -16.194 8.874 14.744 5 HB2 MET 1 2HB MET 1 -18.246 10.250 14.646 6 HB3 MET 1 1HB MET 1 -17.319 11.576 13.964 7 HG2 MET 1 2HG MET 1 -16.791 10.177 12.010 8 HG3 MET 1 1HG MET 1 -17.790 8.891 12.689 9 HE1 MET 1 2HE MET 1 -18.214 10.056 9.753 10 HE2 MET 1 3HE MET 1 -19.975 10.168 9.708 11 HE3 MET 1 1HE MET 1 -19.199 8.771 10.459 12 H ASP 2 H ASP 2 -14.197 8.452 13.992 13 HA ASP 2 HA ASP 2 -12.967 10.548 12.325 14 HB2 ASP 2 2HB ASP 2 -10.784 9.976 13.012 15 HB3 ASP 2 1HB ASP 2 -11.711 10.050 14.506 16 H GLU 3 H GLU 3 -11.924 9.861 10.463 17 HA GLU 3 HA GLU 3 -12.645 7.145 9.581 18 HB2 GLU 3 2HB GLU 3 -12.449 8.016 7.293 19 HB3 GLU 3 1HB GLU 3 -13.610 8.945 8.226 20 HG2 GLU 3 2HG GLU 3 -10.762 9.825 7.802 21 HG3 GLU 3 1HG GLU 3 -12.082 10.259 6.719 22 H LEU 4 H LEU 4 -10.186 8.720 10.905 23 HA LEU 4 HA LEU 4 -8.035 8.268 9.096 24 HB2 LEU 4 2HB LEU 4 -8.206 10.061 10.887 25 HB3 LEU 4 1HB LEU 4 -7.863 8.807 12.059 26 HG LEU 4 HG LEU 4 -5.957 9.368 9.798 27 HD11 LEU 4 1HD1 LEU 4 -6.057 10.734 12.488 28 HD12 LEU 4 2HD1 LEU 4 -6.320 11.492 10.915 29 HD13 LEU 4 3HD1 LEU 4 -4.732 10.846 11.330 30 HD21 LEU 4 3HD2 LEU 4 -5.586 8.229 12.568 31 HD22 LEU 4 1HD2 LEU 4 -4.320 8.454 11.362 32 HD23 LEU 4 2HD2 LEU 4 -5.623 7.304 11.066 33 H ARG 5 H ARG 5 -9.167 6.629 12.061 34 HA ARG 5 HA ARG 5 -6.942 4.939 12.341 35 HB2 ARG 5 2HB ARG 5 -9.069 5.458 13.879 36 HB3 ARG 5 1HB ARG 5 -9.608 3.932 13.193 37 HG2 ARG 5 2HG ARG 5 -7.016 4.358 14.675 38 HG3 ARG 5 1HG ARG 5 -8.483 3.665 15.358 39 HD2 ARG 5 2HD ARG 5 -8.357 1.796 13.817 40 HD3 ARG 5 1HD ARG 5 -6.951 2.512 13.029 41 HE ARG 5 HE ARG 5 -6.855 1.764 15.879 42 HH11 ARG 5 1HH1 ARG 5 -5.657 1.444 12.604 43 HH12 ARG 5 2HH1 ARG 5 -4.291 0.469 13.062 44 HH21 ARG 5 1HH2 ARG 5 -5.063 0.463 16.479 45 HH22 ARG 5 2HH2 ARG 5 -3.950 -0.070 15.256 46 H GLU 6 H GLU 6 -10.055 4.378 10.695 47 HA GLU 6 HA GLU 6 -9.566 1.710 9.972 48 HB2 GLU 6 2HB GLU 6 -11.259 3.814 8.622 49 HB3 GLU 6 1HB GLU 6 -11.284 2.110 8.205 50 HG2 GLU 6 2HG GLU 6 -11.991 1.593 10.513 51 HG3 GLU 6 1HG GLU 6 -12.063 3.325 10.839 52 H LEU 7 H LEU 7 -8.867 4.736 8.273 53 HA LEU 7 HA LEU 7 -7.874 3.540 5.904 54 HB2 LEU 7 2HB LEU 7 -8.627 5.901 6.094 55 HB3 LEU 7 1HB LEU 7 -7.222 6.247 7.083 56 HG LEU 7 HG LEU 7 -5.769 5.643 5.155 57 HD11 LEU 7 1HD1 LEU 7 -7.290 4.157 3.986 58 HD12 LEU 7 2HD1 LEU 7 -6.784 5.479 2.932 59 HD13 LEU 7 3HD1 LEU 7 -8.387 5.501 3.669 60 HD21 LEU 7 3HD2 LEU 7 -6.335 7.967 5.613 61 HD22 LEU 7 1HD2 LEU 7 -7.798 7.816 4.636 62 HD23 LEU 7 2HD2 LEU 7 -6.211 7.681 3.878 63 H LEU 8 H LEU 8 -6.359 4.725 8.856 64 HA LEU 8 HA LEU 8 -3.674 4.322 8.182 65 HB2 LEU 8 2HB LEU 8 -4.544 5.574 10.146 66 HB3 LEU 8 1HB LEU 8 -4.969 4.052 10.893 67 HG LEU 8 HG LEU 8 -2.579 3.414 10.918 68 HD11 LEU 8 1HD1 LEU 8 -0.873 5.090 10.461 69 HD12 LEU 8 2HD1 LEU 8 -2.115 6.237 9.955 70 HD13 LEU 8 3HD1 LEU 8 -1.834 4.770 9.014 71 HD21 LEU 8 3HD2 LEU 8 -3.242 6.043 12.238 72 HD22 LEU 8 1HD2 LEU 8 -1.926 4.968 12.701 73 HD23 LEU 8 2HD2 LEU 8 -3.598 4.437 12.871 74 H LYS 9 H LYS 9 -6.002 2.181 9.754 75 HA LYS 9 HA LYS 9 -4.264 0.011 10.212 76 HB2 LYS 9 2HB LYS 9 -6.444 0.187 11.310 77 HB3 LYS 9 1HB LYS 9 -7.258 0.011 9.762 78 HG2 LYS 9 2HG LYS 9 -6.277 -2.250 9.547 79 HG3 LYS 9 1HG LYS 9 -5.585 -2.066 11.160 80 HD2 LYS 9 2HD LYS 9 -7.802 -1.856 12.119 81 HD3 LYS 9 1HD LYS 9 -8.529 -1.920 10.512 82 HE2 LYS 9 2HE LYS 9 -7.607 -4.182 10.214 83 HE3 LYS 9 1HE LYS 9 -6.954 -4.121 11.849 84 HZ1 LYS 9 3HZ LYS 9 -9.838 -3.811 11.241 85 HZ2 LYS 9 1HZ LYS 9 -9.122 -4.075 12.756 86 HZ3 LYS 9 2HZ LYS 9 -9.121 -5.307 11.587 87 H ALA 10 H ALA 10 -6.356 0.810 7.468 88 HA ALA 10 HA ALA 10 -5.940 -1.534 5.981 89 HB1 ALA 10 1HB ALA 10 -7.711 0.085 5.474 90 HB2 ALA 10 2HB ALA 10 -6.715 -0.258 4.058 91 HB3 ALA 10 3HB ALA 10 -6.492 1.247 4.950 92 H GLU 11 H GLU 11 -4.151 1.495 6.123 93 HA GLU 11 HA GLU 11 -2.299 0.893 4.071 94 HB2 GLU 11 2HB GLU 11 -2.758 3.168 4.962 95 HB3 GLU 11 1HB GLU 11 -1.958 2.714 6.459 96 HG2 GLU 11 2HG GLU 11 -0.449 3.992 5.122 97 HG3 GLU 11 1HG GLU 11 0.118 2.324 5.190 98 H GLN 12 H GLN 12 -2.151 0.589 7.606 99 HA GLN 12 HA GLN 12 0.452 -0.459 7.769 100 HB2 GLN 12 2HB GLN 12 -1.929 -0.694 9.600 101 HB3 GLN 12 1HB GLN 12 -0.370 -1.392 9.997 102 HG2 GLN 12 2HG GLN 12 0.630 0.873 9.790 103 HG3 GLN 12 1HG GLN 12 -0.996 1.517 9.560 104 HE21 GLN 12 1HE2 GLN 12 -0.862 2.768 11.433 105 HE22 GLN 12 2HE2 GLN 12 -0.954 2.072 13.016 106 H GLN 13 H GLN 13 -2.596 -1.955 7.030 107 HA GLN 13 HA GLN 13 -1.951 -4.647 7.477 108 HB2 GLN 13 2HB GLN 13 -4.233 -3.767 6.994 109 HB3 GLN 13 1HB GLN 13 -3.746 -3.520 5.324 110 HG2 GLN 13 2HG GLN 13 -3.289 -5.957 5.157 111 HG3 GLN 13 1HG GLN 13 -3.962 -6.147 6.775 112 HE21 GLN 13 1HE2 GLN 13 -5.181 -3.877 4.432 113 HE22 GLN 13 2HE2 GLN 13 -6.693 -4.677 4.152 114 H GLY 14 H GLY 14 -1.474 -2.555 4.692 115 HA2 GLY 14 2HA GLY 14 -0.554 -4.537 2.903 116 HA3 GLY 14 1HA GLY 14 -0.236 -2.817 2.763 117 H ILE 15 H ILE 15 1.183 -2.407 5.135 118 HA ILE 15 HA ILE 15 3.798 -3.122 4.428 119 HB ILE 15 HB ILE 15 2.755 -2.346 7.162 120 HG12 ILE 15 2HG1 ILE 15 3.948 -0.638 4.965 121 HG13 ILE 15 1HG1 ILE 15 2.243 -0.699 5.392 122 HG21 ILE 15 1HG2 ILE 15 4.955 -3.359 7.313 123 HG22 ILE 15 2HG2 ILE 15 5.059 -1.623 7.609 124 HG23 ILE 15 3HG2 ILE 15 5.556 -2.283 6.051 125 HD11 ILE 15 3HD1 ILE 15 3.326 1.266 6.316 126 HD12 ILE 15 1HD1 ILE 15 4.472 0.243 7.180 127 HD13 ILE 15 2HD1 ILE 15 2.759 0.196 7.597 128 H LYS 16 H LYS 16 1.536 -4.553 6.732 129 HA LYS 16 HA LYS 16 3.158 -6.572 7.801 130 HB2 LYS 16 2HB LYS 16 0.907 -5.947 8.628 131 HB3 LYS 16 1HB LYS 16 0.196 -6.646 7.190 132 HG2 LYS 16 2HG LYS 16 1.203 -8.841 7.870 133 HG3 LYS 16 1HG LYS 16 1.629 -8.082 9.405 134 HD2 LYS 16 2HD LYS 16 -0.712 -7.589 9.838 135 HD3 LYS 16 1HD LYS 16 -1.161 -8.270 8.274 136 HE2 LYS 16 2HE LYS 16 -0.226 -10.446 9.023 137 HE3 LYS 16 1HE LYS 16 0.039 -9.738 10.617 138 HZ1 LYS 16 3HZ LYS 16 -2.026 -10.928 10.609 139 HZ2 LYS 16 1HZ LYS 16 -2.569 -10.082 9.243 140 HZ3 LYS 16 2HZ LYS 16 -2.363 -9.270 10.720 141 H ILE 17 H ILE 17 0.973 -6.594 5.036 142 HA ILE 17 HA ILE 17 1.437 -9.226 4.164 143 HB ILE 17 HB ILE 17 0.615 -6.780 2.570 144 HG12 ILE 17 2HG1 ILE 17 -1.028 -9.030 3.763 145 HG13 ILE 17 1HG1 ILE 17 -0.901 -7.404 4.427 146 HG21 ILE 17 1HG2 ILE 17 -0.262 -8.405 0.923 147 HG22 ILE 17 2HG2 ILE 17 0.501 -9.707 1.834 148 HG23 ILE 17 3HG2 ILE 17 1.493 -8.468 1.072 149 HD11 ILE 17 3HD1 ILE 17 -2.969 -7.675 3.200 150 HD12 ILE 17 1HD1 ILE 17 -2.071 -8.140 1.753 151 HD13 ILE 17 2HD1 ILE 17 -1.921 -6.506 2.399 152 H LEU 18 H LEU 18 3.013 -6.172 3.246 153 HA LEU 18 HA LEU 18 4.655 -7.180 1.231 154 HB2 LEU 18 2HB LEU 18 5.094 -4.880 3.127 155 HB3 LEU 18 1HB LEU 18 6.109 -5.201 1.734 156 HG LEU 18 HG LEU 18 3.152 -4.594 1.614 157 HD11 LEU 18 1HD1 LEU 18 4.439 -2.661 2.343 158 HD12 LEU 18 2HD1 LEU 18 3.832 -2.440 0.703 159 HD13 LEU 18 3HD1 LEU 18 5.525 -2.855 0.967 160 HD21 LEU 18 3HD2 LEU 18 3.902 -6.003 -0.226 161 HD22 LEU 18 1HD2 LEU 18 5.211 -4.870 -0.572 162 HD23 LEU 18 2HD2 LEU 18 3.533 -4.373 -0.792 163 H LYS 19 H LYS 19 5.279 -6.918 4.725 164 HA LYS 19 HA LYS 19 7.899 -7.941 4.609 165 HB2 LYS 19 2HB LYS 19 5.882 -7.446 6.718 166 HB3 LYS 19 1HB LYS 19 7.180 -8.562 7.093 167 HG2 LYS 19 2HG LYS 19 7.504 -5.719 6.168 168 HG3 LYS 19 1HG LYS 19 7.744 -6.321 7.805 169 HD2 LYS 19 2HD LYS 19 9.563 -7.755 7.014 170 HD3 LYS 19 1HD LYS 19 9.320 -7.156 5.374 171 HE2 LYS 19 2HE LYS 19 11.180 -5.993 6.317 172 HE3 LYS 19 1HE LYS 19 9.831 -4.864 6.211 173 HZ1 LYS 19 3HZ LYS 19 9.496 -4.937 8.504 174 HZ2 LYS 19 1HZ LYS 19 11.184 -4.895 8.346 175 HZ3 LYS 19 2HZ LYS 19 10.403 -6.358 8.700 176 H GLU 20 H GLU 20 4.740 -9.458 5.035 177 HA GLU 20 HA GLU 20 5.624 -12.070 5.549 178 HB2 GLU 20 2HB GLU 20 3.176 -10.649 5.063 179 HB3 GLU 20 1HB GLU 20 3.168 -12.147 4.159 180 HG2 GLU 20 2HG GLU 20 3.656 -11.882 7.116 181 HG3 GLU 20 1HG GLU 20 2.146 -12.382 6.362 182 H VAL 21 H VAL 21 4.883 -10.359 2.539 183 HA VAL 21 HA VAL 21 5.234 -12.610 0.831 184 HB VAL 21 HB VAL 21 5.338 -9.654 0.197 185 HG11 VAL 21 1HG1 VAL 21 5.098 -12.018 -1.660 186 HG12 VAL 21 2HG1 VAL 21 6.493 -10.948 -1.516 187 HG13 VAL 21 3HG1 VAL 21 4.961 -10.323 -2.128 188 HG21 VAL 21 3HG2 VAL 21 3.126 -11.688 -0.041 189 HG22 VAL 21 1HG2 VAL 21 3.049 -10.033 -0.639 190 HG23 VAL 21 2HG2 VAL 21 3.193 -10.338 1.091 191 H LEU 22 H LEU 22 7.355 -9.940 1.818 192 HA LEU 22 HA LEU 22 9.578 -10.582 0.238 193 HB2 LEU 22 2HB LEU 22 9.292 -8.496 1.574 194 HB3 LEU 22 1HB LEU 22 9.589 -9.424 3.029 195 HG LEU 22 HG LEU 22 11.861 -9.964 2.178 196 HD11 LEU 22 1HD1 LEU 22 12.749 -8.667 0.301 197 HD12 LEU 22 2HD1 LEU 22 11.141 -8.009 -0.000 198 HD13 LEU 22 3HD1 LEU 22 11.438 -9.736 -0.201 199 HD21 LEU 22 3HD2 LEU 22 11.518 -8.114 3.725 200 HD22 LEU 22 1HD2 LEU 22 11.204 -7.026 2.372 201 HD23 LEU 22 2HD2 LEU 22 12.802 -7.740 2.576 202 H LYS 23 H LYS 23 8.512 -11.770 3.350 203 HA LYS 23 HA LYS 23 10.697 -13.381 4.046 204 HB2 LYS 23 2HB LYS 23 8.550 -12.721 5.345 205 HB3 LYS 23 1HB LYS 23 7.840 -14.129 4.584 206 HG2 LYS 23 2HG LYS 23 9.420 -15.582 5.643 207 HG3 LYS 23 1HG LYS 23 10.314 -14.206 6.295 208 HD2 LYS 23 2HD LYS 23 8.329 -13.551 7.589 209 HD3 LYS 23 1HD LYS 23 7.466 -14.952 6.958 210 HE2 LYS 23 2HE LYS 23 9.056 -16.438 8.029 211 HE3 LYS 23 1HE LYS 23 9.984 -15.057 8.610 212 HZ1 LYS 23 3HZ LYS 23 8.533 -15.953 10.330 213 HZ2 LYS 23 1HZ LYS 23 7.171 -15.675 9.354 214 HZ3 LYS 23 2HZ LYS 23 8.089 -14.367 9.927 215 H LYS 24 H LYS 24 7.707 -14.166 2.336 216 HA LYS 24 HA LYS 24 8.282 -16.842 1.737 217 HB2 LYS 24 2HB LYS 24 6.325 -14.852 0.881 218 HB3 LYS 24 1HB LYS 24 6.724 -16.007 -0.381 219 HG2 LYS 24 2HG LYS 24 4.836 -16.839 0.797 220 HG3 LYS 24 1HG LYS 24 6.221 -17.836 1.240 221 HD2 LYS 24 2HD LYS 24 6.477 -16.406 3.280 222 HD3 LYS 24 1HD LYS 24 4.943 -15.642 2.862 223 HE2 LYS 24 2HE LYS 24 4.580 -17.397 4.490 224 HE3 LYS 24 1HE LYS 24 3.848 -17.842 2.949 225 HZ1 LYS 24 3HZ LYS 24 6.554 -18.750 3.752 226 HZ2 LYS 24 1HZ LYS 24 5.576 -19.358 2.506 227 HZ3 LYS 24 2HZ LYS 24 5.148 -19.633 4.126 228 H ALA 25 H ALA 25 9.196 -13.888 0.095 229 HA ALA 25 HA ALA 25 10.058 -15.009 -2.337 230 HB1 ALA 25 1HB ALA 25 11.348 -12.951 -2.624 231 HB2 ALA 25 2HB ALA 25 11.079 -12.545 -0.927 232 HB3 ALA 25 3HB ALA 25 9.715 -12.615 -2.044 233 H LYS 26 H LYS 26 11.619 -14.686 0.794 234 HA LYS 26 HA LYS 26 14.206 -15.512 -0.130 235 HB2 LYS 26 2HB LYS 26 13.941 -14.149 1.902 236 HB3 LYS 26 1HB LYS 26 13.057 -15.461 2.670 237 HG2 LYS 26 2HG LYS 26 15.052 -16.875 2.528 238 HG3 LYS 26 1HG LYS 26 15.938 -15.535 1.799 239 HD2 LYS 26 2HD LYS 26 15.576 -14.198 3.819 240 HD3 LYS 26 1HD LYS 26 14.680 -15.533 4.545 241 HE2 LYS 26 2HE LYS 26 16.694 -16.936 4.398 242 HE3 LYS 26 1HE LYS 26 17.579 -15.572 3.720 243 HZ1 LYS 26 3HZ LYS 26 16.272 -15.531 6.384 244 HZ2 LYS 26 1HZ LYS 26 17.333 -14.369 5.745 245 HZ3 LYS 26 2HZ LYS 26 17.906 -15.919 6.144 246 H GLU 27 H GLU 27 11.381 -17.076 1.252 247 HA GLU 27 HA GLU 27 12.558 -19.608 1.706 248 HB2 GLU 27 2HB GLU 27 9.665 -18.889 1.192 249 HB3 GLU 27 1HB GLU 27 10.228 -20.432 1.822 250 HG2 GLU 27 2HG GLU 27 11.148 -19.282 3.785 251 HG3 GLU 27 1HG GLU 27 10.550 -17.750 3.153 252 H GLY 28 H GLY 28 10.963 -18.154 -1.077 253 HA2 GLY 28 2HA GLY 28 11.578 -18.616 -3.295 254 HA3 GLY 28 1HA GLY 28 12.340 -20.101 -2.755 255 H ASP 29 H ASP 29 9.018 -19.017 -2.172 256 HA ASP 29 HA ASP 29 8.100 -21.388 -3.657 257 HB2 ASP 29 2HB ASP 29 7.450 -21.056 -1.226 258 HB3 ASP 29 1HB ASP 29 6.438 -19.730 -1.768 259 H GLU 30 H GLU 30 7.862 -20.796 -5.667 260 HA GLU 30 HA GLU 30 7.279 -18.160 -6.544 261 HB2 GLU 30 2HB GLU 30 7.174 -20.777 -8.043 262 HB3 GLU 30 1HB GLU 30 7.043 -19.193 -8.793 263 HG2 GLU 30 2HG GLU 30 9.288 -18.640 -8.052 264 HG3 GLU 30 1HG GLU 30 9.419 -20.204 -7.247 265 H GLN 31 H GLN 31 5.348 -21.061 -6.147 266 HA GLN 31 HA GLN 31 3.011 -20.112 -7.410 267 HB2 GLN 31 2HB GLN 31 3.400 -22.234 -5.289 268 HB3 GLN 31 1HB GLN 31 1.871 -21.930 -6.099 269 HG2 GLN 31 2HG GLN 31 2.659 -23.661 -7.348 270 HG3 GLN 31 1HG GLN 31 3.295 -22.299 -8.266 271 HE21 GLN 31 1HE2 GLN 31 4.200 -25.059 -8.120 272 HE22 GLN 31 2HE2 GLN 31 5.852 -25.005 -7.586 273 H GLU 32 H GLU 32 4.176 -19.992 -4.089 274 HA GLU 32 HA GLU 32 1.889 -18.740 -2.987 275 HB2 GLU 32 2HB GLU 32 3.672 -19.840 -1.647 276 HB3 GLU 32 1HB GLU 32 4.761 -18.526 -2.063 277 HG2 GLU 32 2HG GLU 32 3.977 -18.027 0.081 278 HG3 GLU 32 1HG GLU 32 3.070 -16.972 -0.999 279 H LEU 33 H LEU 33 4.883 -17.462 -4.404 280 HA LEU 33 HA LEU 33 4.474 -14.758 -3.810 281 HB2 LEU 33 2HB LEU 33 5.895 -16.011 -6.160 282 HB3 LEU 33 1HB LEU 33 5.990 -14.312 -5.736 283 HG LEU 33 HG LEU 33 6.966 -16.616 -4.047 284 HD11 LEU 33 1HD1 LEU 33 8.348 -16.166 -6.019 285 HD12 LEU 33 2HD1 LEU 33 9.182 -15.738 -4.526 286 HD13 LEU 33 3HD1 LEU 33 8.479 -14.476 -5.535 287 HD21 LEU 33 3HD2 LEU 33 6.110 -14.766 -2.687 288 HD22 LEU 33 1HD2 LEU 33 7.145 -13.643 -3.569 289 HD23 LEU 33 2HD2 LEU 33 7.865 -14.904 -2.566 290 H ALA 34 H ALA 34 3.519 -16.609 -6.695 291 HA ALA 34 HA ALA 34 2.318 -14.472 -8.085 292 HB1 ALA 34 1HB ALA 34 2.879 -16.586 -9.172 293 HB2 ALA 34 2HB ALA 34 1.171 -16.201 -9.393 294 HB3 ALA 34 3HB ALA 34 1.656 -17.417 -8.212 295 H ARG 35 H ARG 35 1.097 -16.706 -5.683 296 HA ARG 35 HA ARG 35 -1.621 -15.902 -5.719 297 HB2 ARG 35 2HB ARG 35 -0.889 -18.007 -4.737 298 HB3 ARG 35 1HB ARG 35 0.085 -17.153 -3.554 299 HG2 ARG 35 2HG ARG 35 -2.008 -16.170 -2.636 300 HG3 ARG 35 1HG ARG 35 -2.917 -17.216 -3.733 301 HD2 ARG 35 2HD ARG 35 -2.011 -19.182 -2.704 302 HD3 ARG 35 1HD ARG 35 -0.908 -18.218 -1.724 303 HE ARG 35 HE ARG 35 -3.843 -18.135 -1.405 304 HH11 ARG 35 1HH1 ARG 35 -0.598 -18.256 -0.081 305 HH12 ARG 35 2HH1 ARG 35 -1.140 -18.151 1.571 306 HH21 ARG 35 1HH2 ARG 35 -4.552 -18.011 0.745 307 HH22 ARG 35 2HH2 ARG 35 -3.393 -17.980 2.041 308 H LEU 36 H LEU 36 1.146 -15.005 -3.729 309 HA LEU 36 HA LEU 36 -0.132 -13.222 -2.005 310 HB2 LEU 36 2HB LEU 36 2.725 -13.326 -2.955 311 HB3 LEU 36 1HB LEU 36 2.170 -12.256 -1.684 312 HG LEU 36 HG LEU 36 2.051 -15.274 -1.589 313 HD11 LEU 36 1HD1 LEU 36 3.820 -15.062 0.094 314 HD12 LEU 36 2HD1 LEU 36 3.895 -13.326 -0.212 315 HD13 LEU 36 3HD1 LEU 36 4.340 -14.465 -1.482 316 HD21 LEU 36 3HD2 LEU 36 1.445 -14.957 0.751 317 HD22 LEU 36 1HD2 LEU 36 0.262 -14.199 -0.314 318 HD23 LEU 36 2HD2 LEU 36 1.455 -13.208 0.527 319 H ASN 37 H ASN 37 1.491 -12.613 -5.115 320 HA ASN 37 HA ASN 37 1.335 -9.823 -5.060 321 HB2 ASN 37 2HB ASN 37 2.615 -11.201 -6.745 322 HB3 ASN 37 1HB ASN 37 1.081 -11.510 -7.556 323 HD21 ASN 37 1HD2 ASN 37 1.584 -10.444 -9.431 324 HD22 ASN 37 2HD2 ASN 37 1.785 -8.728 -9.522 325 H GLN 38 H GLN 38 -0.981 -12.213 -6.240 326 HA GLN 38 HA GLN 38 -2.948 -10.484 -7.219 327 HB2 GLN 38 2HB GLN 38 -2.593 -13.268 -6.668 328 HB3 GLN 38 1HB GLN 38 -4.148 -12.773 -6.034 329 HG2 GLN 38 2HG GLN 38 -3.287 -12.157 -8.837 330 HG3 GLN 38 1HG GLN 38 -4.092 -13.661 -8.394 331 HE21 GLN 38 1HE2 GLN 38 -6.228 -13.609 -7.724 332 HE22 GLN 38 2HE2 GLN 38 -7.264 -12.262 -8.046 333 H GLU 39 H GLU 39 -2.410 -11.845 -4.002 334 HA GLU 39 HA GLU 39 -4.725 -10.752 -2.802 335 HB2 GLU 39 2HB GLU 39 -3.383 -12.663 -1.904 336 HB3 GLU 39 1HB GLU 39 -2.129 -11.518 -1.454 337 HG2 GLU 39 2HG GLU 39 -3.526 -10.476 0.147 338 HG3 GLU 39 1HG GLU 39 -4.950 -11.325 -0.448 339 H ILE 40 H ILE 40 -1.406 -9.586 -3.130 340 HA ILE 40 HA ILE 40 -1.587 -7.291 -1.532 341 HB ILE 40 HB ILE 40 0.014 -7.672 -4.071 342 HG12 ILE 40 2HG1 ILE 40 0.848 -7.968 -1.175 343 HG13 ILE 40 1HG1 ILE 40 0.517 -9.307 -2.269 344 HG21 ILE 40 1HG2 ILE 40 0.339 -5.622 -1.884 345 HG22 ILE 40 2HG2 ILE 40 -0.255 -5.307 -3.514 346 HG23 ILE 40 3HG2 ILE 40 1.410 -5.835 -3.268 347 HD11 ILE 40 3HD1 ILE 40 2.701 -7.262 -2.588 348 HD12 ILE 40 1HD1 ILE 40 2.366 -8.593 -3.695 349 HD13 ILE 40 2HD1 ILE 40 2.898 -8.929 -2.047 350 H VAL 41 H VAL 41 -2.205 -7.689 -5.019 351 HA VAL 41 HA VAL 41 -2.890 -5.026 -5.545 352 HB VAL 41 HB VAL 41 -3.864 -7.523 -6.945 353 HG11 VAL 41 1HG1 VAL 41 -3.895 -4.654 -7.883 354 HG12 VAL 41 2HG1 VAL 41 -5.304 -5.624 -7.456 355 HG13 VAL 41 3HG1 VAL 41 -4.326 -6.060 -8.857 356 HG21 VAL 41 3HG2 VAL 41 -2.091 -6.996 -8.571 357 HG22 VAL 41 1HG2 VAL 41 -1.452 -7.344 -6.965 358 HG23 VAL 41 2HG2 VAL 41 -1.554 -5.677 -7.530 359 H LYS 42 H LYS 42 -5.006 -7.806 -4.806 360 HA LYS 42 HA LYS 42 -7.427 -6.406 -4.859 361 HB2 LYS 42 2HB LYS 42 -6.623 -8.823 -3.240 362 HB3 LYS 42 1HB LYS 42 -8.272 -8.229 -3.355 363 HG2 LYS 42 2HG LYS 42 -8.203 -8.597 -5.792 364 HG3 LYS 42 1HG LYS 42 -6.580 -9.271 -5.618 365 HD2 LYS 42 2HD LYS 42 -8.228 -11.058 -5.716 366 HD3 LYS 42 1HD LYS 42 -7.483 -11.004 -4.116 367 HE2 LYS 42 2HE LYS 42 -9.443 -9.684 -3.323 368 HE3 LYS 42 1HE LYS 42 -10.192 -9.930 -4.899 369 HZ1 LYS 42 3HZ LYS 42 -10.987 -11.529 -3.266 370 HZ2 LYS 42 1HZ LYS 42 -9.404 -12.086 -3.010 371 HZ3 LYS 42 2HZ LYS 42 -10.151 -12.314 -4.517 372 H ALA 43 H ALA 43 -5.178 -6.978 -2.177 373 HA ALA 43 HA ALA 43 -6.871 -5.872 -0.189 374 HB1 ALA 43 1HB ALA 43 -4.947 -6.009 1.284 375 HB2 ALA 43 2HB ALA 43 -3.889 -6.286 -0.099 376 HB3 ALA 43 3HB ALA 43 -5.107 -7.486 0.333 377 H GLU 44 H GLU 44 -4.031 -4.524 -1.918 378 HA GLU 44 HA GLU 44 -4.186 -2.085 -0.456 379 HB2 GLU 44 2HB GLU 44 -2.051 -2.726 -1.423 380 HB3 GLU 44 1HB GLU 44 -2.734 -2.666 -3.045 381 HG2 GLU 44 2HG GLU 44 -2.916 -0.347 -3.021 382 HG3 GLU 44 1HG GLU 44 -2.785 -0.259 -1.270 383 H LYS 45 H LYS 45 -5.464 -3.147 -3.582 384 HA LYS 45 HA LYS 45 -6.270 -0.627 -4.517 385 HB2 LYS 45 2HB LYS 45 -6.330 -2.885 -5.760 386 HB3 LYS 45 1HB LYS 45 -7.903 -3.110 -5.005 387 HG2 LYS 45 2HG LYS 45 -8.508 -0.834 -5.995 388 HG3 LYS 45 1HG LYS 45 -7.061 -1.018 -6.986 389 HD2 LYS 45 2HD LYS 45 -8.830 -1.821 -8.312 390 HD3 LYS 45 1HD LYS 45 -8.022 -3.265 -7.696 391 HE2 LYS 45 2HE LYS 45 -9.716 -3.578 -6.033 392 HE3 LYS 45 1HE LYS 45 -10.455 -2.025 -6.416 393 HZ1 LYS 45 3HZ LYS 45 -10.391 -4.455 -8.119 394 HZ2 LYS 45 1HZ LYS 45 -10.896 -2.935 -8.679 395 HZ3 LYS 45 2HZ LYS 45 -11.749 -3.705 -7.431 396 H GLN 46 H GLN 46 -7.813 -2.896 -2.322 397 HA GLN 46 HA GLN 46 -10.300 -1.576 -2.101 398 HB2 GLN 46 2HB GLN 46 -9.716 -3.925 -1.319 399 HB3 GLN 46 1HB GLN 46 -8.941 -3.181 0.067 400 HG2 GLN 46 2HG GLN 46 -11.188 -3.943 0.607 401 HG3 GLN 46 1HG GLN 46 -11.050 -2.192 0.752 402 HE21 GLN 46 1HE2 GLN 46 -13.254 -1.881 0.524 403 HE22 GLN 46 2HE2 GLN 46 -14.067 -2.075 -0.995 404 H GLY 47 H GLY 47 -7.248 -1.296 -0.357 405 HA2 GLY 47 2HA GLY 47 -8.107 0.671 1.506 406 HA3 GLY 47 1HA GLY 47 -6.440 0.333 1.055 407 H VAL 48 H VAL 48 -6.555 0.867 -1.666 408 HA VAL 48 HA VAL 48 -6.277 3.663 -1.784 409 HB VAL 48 HB VAL 48 -6.710 1.737 -4.081 410 HG11 VAL 48 1HG1 VAL 48 -5.631 3.445 -5.452 411 HG12 VAL 48 2HG1 VAL 48 -5.545 4.519 -4.053 412 HG13 VAL 48 3HG1 VAL 48 -7.114 4.056 -4.719 413 HG21 VAL 48 3HG2 VAL 48 -4.780 1.068 -2.829 414 HG22 VAL 48 1HG2 VAL 48 -4.193 2.730 -2.763 415 HG23 VAL 48 2HG2 VAL 48 -4.240 1.875 -4.303 416 H LYS 49 H LYS 49 -8.937 1.518 -2.595 417 HA LYS 49 HA LYS 49 -10.690 3.352 -3.762 418 HB2 LYS 49 2HB LYS 49 -10.951 0.845 -3.610 419 HB3 LYS 49 1HB LYS 49 -11.452 1.061 -1.940 420 HG2 LYS 49 2HG LYS 49 -13.407 2.239 -2.595 421 HG3 LYS 49 1HG LYS 49 -12.859 2.337 -4.270 422 HD2 LYS 49 2HD LYS 49 -12.984 -0.110 -4.442 423 HD3 LYS 49 1HD LYS 49 -13.554 -0.192 -2.774 424 HE2 LYS 49 2HE LYS 49 -14.967 1.315 -4.967 425 HE3 LYS 49 1HE LYS 49 -15.348 -0.344 -4.510 426 HZ1 LYS 49 3HZ LYS 49 -15.437 1.956 -2.634 427 HZ2 LYS 49 1HZ LYS 49 -15.976 0.373 -2.345 428 HZ3 LYS 49 2HZ LYS 49 -16.787 1.360 -3.465 429 H VAL 50 H VAL 50 -10.142 2.526 -0.361 430 HA VAL 50 HA VAL 50 -12.029 4.380 0.687 431 HB VAL 50 HB VAL 50 -9.581 3.217 2.040 432 HG11 VAL 50 1HG1 VAL 50 -12.071 4.433 3.230 433 HG12 VAL 50 2HG1 VAL 50 -10.475 5.183 3.194 434 HG13 VAL 50 3HG1 VAL 50 -10.737 3.709 4.126 435 HG21 VAL 50 3HG2 VAL 50 -11.101 1.547 2.960 436 HG22 VAL 50 1HG2 VAL 50 -11.082 1.478 1.197 437 HG23 VAL 50 2HG2 VAL 50 -12.434 2.240 2.037 438 H TYR 51 H TYR 51 -8.573 4.533 -0.053 439 HA TYR 51 HA TYR 51 -8.007 7.063 0.973 440 HB2 TYR 51 2HB TYR 51 -6.819 5.343 -1.132 441 HB3 TYR 51 1HB TYR 51 -6.401 7.050 -1.188 442 HD1 TYR 51 1HD TYR 51 -5.603 8.073 1.089 443 HD2 TYR 51 2HD TYR 51 -5.526 3.916 0.182 444 HE1 TYR 51 1HE TYR 51 -3.877 7.738 2.804 445 HE2 TYR 51 2HE TYR 51 -3.801 3.571 1.902 446 HH TYR 51 HH TYR 51 -2.031 4.951 3.043 447 H LYS 52 H LYS 52 -9.317 6.134 -2.192 448 HA LYS 52 HA LYS 52 -9.360 8.751 -3.266 449 HB2 LYS 52 2HB LYS 52 -9.587 6.611 -4.577 450 HB3 LYS 52 1HB LYS 52 -11.237 6.496 -3.986 451 HG2 LYS 52 2HG LYS 52 -11.810 8.584 -5.067 452 HG3 LYS 52 1HG LYS 52 -10.142 8.794 -5.596 453 HD2 LYS 52 2HD LYS 52 -10.332 6.725 -6.920 454 HD3 LYS 52 1HD LYS 52 -12.021 6.587 -6.428 455 HE2 LYS 52 2HE LYS 52 -10.885 8.971 -7.883 456 HE3 LYS 52 1HE LYS 52 -11.654 7.607 -8.693 457 HZ1 LYS 52 3HZ LYS 52 -13.001 9.245 -6.611 458 HZ2 LYS 52 1HZ LYS 52 -13.704 8.090 -7.637 459 HZ3 LYS 52 2HZ LYS 52 -13.129 9.550 -8.274 460 H GLU 53 H GLU 53 -11.761 6.831 -1.552 461 HA GLU 53 HA GLU 53 -13.938 8.555 -1.672 462 HB2 GLU 53 2HB GLU 53 -13.150 6.242 -0.163 463 HB3 GLU 53 1HB GLU 53 -13.892 7.405 0.924 464 HG2 GLU 53 2HG GLU 53 -15.167 6.474 -1.633 465 HG3 GLU 53 1HG GLU 53 -15.436 5.713 -0.070 466 H ALA 54 H ALA 54 -11.290 8.426 0.685 467 HA ALA 54 HA ALA 54 -12.274 10.633 2.202 468 HB1 ALA 54 1HB ALA 54 -10.185 10.484 3.439 469 HB2 ALA 54 2HB ALA 54 -9.535 9.380 2.227 470 HB3 ALA 54 3HB ALA 54 -10.905 8.889 3.224 471 H ALA 55 H ALA 55 -9.932 10.317 -0.408 472 HA ALA 55 HA ALA 55 -8.703 12.833 -0.039 473 HB1 ALA 55 1HB ALA 55 -7.735 12.502 -2.234 474 HB2 ALA 55 2HB ALA 55 -8.896 11.221 -2.579 475 HB3 ALA 55 3HB ALA 55 -7.684 10.996 -1.320 476 H GLU 56 H GLU 56 -11.520 11.829 -1.910 477 HA GLU 56 HA GLU 56 -11.720 14.536 -3.003 478 HB2 GLU 56 2HB GLU 56 -13.505 13.650 -4.434 479 HB3 GLU 56 1HB GLU 56 -12.025 12.718 -4.588 480 HG2 GLU 56 2HG GLU 56 -12.980 11.033 -3.059 481 HG3 GLU 56 1HG GLU 56 -14.489 11.947 -3.057 482 H LYS 57 H LYS 57 -12.453 13.196 -0.235 483 HA LYS 57 HA LYS 57 -14.878 14.822 0.139 484 HB2 LYS 57 2HB LYS 57 -15.173 12.274 0.149 485 HB3 LYS 57 1HB LYS 57 -14.264 12.298 1.643 486 HG2 LYS 57 2HG LYS 57 -15.955 13.624 2.723 487 HG3 LYS 57 1HG LYS 57 -16.845 13.776 1.205 488 HD2 LYS 57 2HD LYS 57 -17.823 12.068 2.666 489 HD3 LYS 57 1HD LYS 57 -17.219 11.372 1.161 490 HE2 LYS 57 2HE LYS 57 -15.126 10.758 2.380 491 HE3 LYS 57 1HE LYS 57 -15.902 11.295 3.870 492 HZ1 LYS 57 3HZ LYS 57 -16.171 8.959 3.712 493 HZ2 LYS 57 1HZ LYS 57 -16.734 9.051 2.113 494 HZ3 LYS 57 2HZ LYS 57 -17.688 9.647 3.388 495 H ALA 58 H ALA 58 -11.833 15.004 0.528 496 HA ALA 58 HA ALA 58 -11.136 14.992 3.206 497 HB1 ALA 58 1HB ALA 58 -9.300 16.449 2.595 498 HB2 ALA 58 2HB ALA 58 -10.104 16.857 1.078 499 HB3 ALA 58 3HB ALA 58 -9.537 15.210 1.361 500 H ARG 59 H ARG 59 -11.168 16.435 4.845 501 HA ARG 59 HA ARG 59 -13.301 18.334 4.846 502 HB2 ARG 59 2HB ARG 59 -11.191 17.873 6.964 503 HB3 ARG 59 1HB ARG 59 -12.744 18.664 7.186 504 HG2 ARG 59 2HG ARG 59 -13.882 16.546 6.677 505 HG3 ARG 59 1HG ARG 59 -12.315 15.764 6.491 506 HD2 ARG 59 2HD ARG 59 -11.797 16.380 8.845 507 HD3 ARG 59 1HD ARG 59 -13.441 16.999 9.001 508 HE ARG 59 HE ARG 59 -13.017 14.195 8.226 509 HH11 ARG 59 1HH1 ARG 59 -14.152 16.534 10.584 510 HH12 ARG 59 2HH1 ARG 59 -14.986 15.345 11.536 511 HH21 ARG 59 1HH2 ARG 59 -14.103 12.654 9.444 512 HH22 ARG 59 2HH2 ARG 59 -15.018 13.140 10.851 513 H ASN 60 H ASN 60 -9.853 18.468 4.439 514 HA ASN 60 HA ASN 60 -10.018 21.380 4.091 515 HB2 ASN 60 2HB ASN 60 -7.862 19.878 5.596 516 HB3 ASN 60 1HB ASN 60 -7.692 21.541 5.058 517 HD21 ASN 60 1HD2 ASN 60 -10.472 22.225 5.625 518 HD22 ASN 60 2HD2 ASN 60 -10.580 22.340 7.351 519 HA PRO 61 HA PRO 61 -8.037 20.560 0.212 520 HB2 PRO 61 2HB PRO 61 -6.683 22.942 -0.074 521 HB3 PRO 61 1HB PRO 61 -8.391 22.709 -0.461 522 HG2 PRO 61 2HG PRO 61 -7.142 23.900 1.974 523 HG3 PRO 61 1HG PRO 61 -8.607 24.390 1.105 524 HD2 PRO 61 2HD PRO 61 -8.698 23.002 3.417 525 HD3 PRO 61 1HD PRO 61 -9.908 22.789 2.137 526 H GLU 62 H GLU 62 -6.012 22.056 2.751 527 HA GLU 62 HA GLU 62 -3.525 21.277 1.782 528 HB2 GLU 62 2HB GLU 62 -4.553 21.744 4.565 529 HB3 GLU 62 1HB GLU 62 -2.881 21.399 4.222 530 HG2 GLU 62 2HG GLU 62 -3.102 23.742 4.481 531 HG3 GLU 62 1HG GLU 62 -2.820 23.415 2.773 532 H LYS 63 H LYS 63 -5.832 19.655 3.868 533 HA LYS 63 HA LYS 63 -4.207 17.393 4.412 534 HB2 LYS 63 2HB LYS 63 -7.121 18.009 4.779 535 HB3 LYS 63 1HB LYS 63 -6.518 16.380 5.039 536 HG2 LYS 63 2HG LYS 63 -6.646 17.566 7.139 537 HG3 LYS 63 1HG LYS 63 -4.962 17.234 6.737 538 HD2 LYS 63 2HD LYS 63 -4.648 19.522 5.997 539 HD3 LYS 63 1HD LYS 63 -6.359 19.869 6.250 540 HE2 LYS 63 2HE LYS 63 -6.095 19.463 8.645 541 HE3 LYS 63 1HE LYS 63 -4.389 19.086 8.402 542 HZ1 LYS 63 3HZ LYS 63 -4.793 21.374 9.193 543 HZ2 LYS 63 1HZ LYS 63 -5.633 21.706 7.759 544 HZ3 LYS 63 2HZ LYS 63 -3.982 21.328 7.709 545 H ARG 64 H ARG 64 -6.559 18.167 1.891 546 HA ARG 64 HA ARG 64 -6.770 15.576 0.803 547 HB2 ARG 64 2HB ARG 64 -8.278 17.353 0.032 548 HB3 ARG 64 1HB ARG 64 -6.916 18.222 -0.671 549 HG2 ARG 64 2HG ARG 64 -6.494 16.270 -2.153 550 HG3 ARG 64 1HG ARG 64 -7.955 15.522 -1.516 551 HD2 ARG 64 2HD ARG 64 -9.306 17.310 -2.410 552 HD3 ARG 64 1HD ARG 64 -7.863 18.177 -2.943 553 HE ARG 64 HE ARG 64 -7.650 15.769 -4.192 554 HH11 ARG 64 1HH1 ARG 64 -10.197 18.171 -4.028 555 HH12 ARG 64 2HH1 ARG 64 -10.829 17.797 -5.597 556 HH21 ARG 64 1HH2 ARG 64 -8.458 15.282 -6.275 557 HH22 ARG 64 2HH2 ARG 64 -9.833 16.154 -6.883 558 H GLN 65 H GLN 65 -4.441 18.176 0.283 559 HA GLN 65 HA GLN 65 -3.137 17.181 -1.957 560 HB2 GLN 65 2HB GLN 65 -2.858 19.419 -0.621 561 HB3 GLN 65 1HB GLN 65 -1.601 18.539 0.235 562 HG2 GLN 65 2HG GLN 65 -1.662 18.821 -2.755 563 HG3 GLN 65 1HG GLN 65 -0.852 19.970 -1.693 564 HE21 GLN 65 1HE2 GLN 65 0.161 18.159 -3.783 565 HE22 GLN 65 2HE2 GLN 65 1.399 17.220 -3.023 566 H VAL 66 H VAL 66 -2.546 16.481 1.461 567 HA VAL 66 HA VAL 66 -0.301 14.826 1.092 568 HB VAL 66 HB VAL 66 -2.354 14.715 3.313 569 HG11 VAL 66 1HG1 VAL 66 -0.964 12.715 3.238 570 HG12 VAL 66 2HG1 VAL 66 -0.558 13.707 4.640 571 HG13 VAL 66 3HG1 VAL 66 0.491 13.711 3.221 572 HG21 VAL 66 3HG2 VAL 66 0.222 16.275 3.103 573 HG22 VAL 66 1HG2 VAL 66 -0.786 16.150 4.548 574 HG23 VAL 66 2HG2 VAL 66 -1.411 16.939 3.101 575 H ILE 67 H ILE 67 -3.752 14.018 1.460 576 HA ILE 67 HA ILE 67 -3.372 11.210 1.206 577 HB ILE 67 HB ILE 67 -5.914 12.789 0.766 578 HG12 ILE 67 2HG1 ILE 67 -4.853 11.506 3.295 579 HG13 ILE 67 1HG1 ILE 67 -4.867 13.235 2.967 580 HG21 ILE 67 1HG2 ILE 67 -5.474 9.890 1.470 581 HG22 ILE 67 2HG2 ILE 67 -6.031 10.511 -0.084 582 HG23 ILE 67 3HG2 ILE 67 -7.041 10.693 1.352 583 HD11 ILE 67 3HD1 ILE 67 -7.303 11.479 3.186 584 HD12 ILE 67 1HD1 ILE 67 -7.293 13.223 2.915 585 HD13 ILE 67 2HD1 ILE 67 -6.694 12.563 4.438 586 H ASP 68 H ASP 68 -4.161 13.781 -1.053 587 HA ASP 68 HA ASP 68 -4.904 12.170 -3.254 588 HB2 ASP 68 2HB ASP 68 -5.156 14.752 -2.829 589 HB3 ASP 68 1HB ASP 68 -3.576 14.841 -3.598 590 H LYS 69 H LYS 69 -1.818 13.577 -2.230 591 HA LYS 69 HA LYS 69 -0.208 12.599 -4.308 592 HB2 LYS 69 2HB LYS 69 0.711 14.193 -2.764 593 HB3 LYS 69 1HB LYS 69 0.410 13.129 -1.396 594 HG2 LYS 69 2HG LYS 69 2.025 11.505 -2.487 595 HG3 LYS 69 1HG LYS 69 2.464 12.830 -3.566 596 HD2 LYS 69 2HD LYS 69 3.191 14.173 -1.709 597 HD3 LYS 69 1HD LYS 69 2.598 12.975 -0.556 598 HE2 LYS 69 2HE LYS 69 4.822 12.576 -2.557 599 HE3 LYS 69 1HE LYS 69 5.020 12.816 -0.822 600 HZ1 LYS 69 3HZ LYS 69 3.613 10.519 -2.097 601 HZ2 LYS 69 1HZ LYS 69 3.840 10.750 -0.433 602 HZ3 LYS 69 2HZ LYS 69 5.175 10.475 -1.439 603 H ILE 70 H ILE 70 -1.145 11.143 -1.215 604 HA ILE 70 HA ILE 70 0.327 8.756 -1.479 605 HB ILE 70 HB ILE 70 -2.225 9.285 0.055 606 HG12 ILE 70 2HG1 ILE 70 0.661 9.185 0.958 607 HG13 ILE 70 1HG1 ILE 70 -0.281 10.653 0.724 608 HG21 ILE 70 1HG2 ILE 70 -1.704 7.273 1.333 609 HG22 ILE 70 2HG2 ILE 70 -0.312 6.966 0.295 610 HG23 ILE 70 3HG2 ILE 70 -1.943 6.892 -0.373 611 HD11 ILE 70 3HD1 ILE 70 -1.795 9.969 2.503 612 HD12 ILE 70 1HD1 ILE 70 -0.130 10.063 3.073 613 HD13 ILE 70 2HD1 ILE 70 -0.861 8.493 2.740 614 H LEU 71 H LEU 71 -2.959 9.638 -2.447 615 HA LEU 71 HA LEU 71 -3.849 7.205 -3.445 616 HB2 LEU 71 2HB LEU 71 -4.686 9.870 -3.479 617 HB3 LEU 71 1HB LEU 71 -4.537 9.441 -5.169 618 HG LEU 71 HG LEU 71 -6.233 8.021 -3.126 619 HD11 LEU 71 1HD1 LEU 71 -8.089 8.894 -4.524 620 HD12 LEU 71 2HD1 LEU 71 -6.910 9.842 -5.428 621 HD13 LEU 71 3HD1 LEU 71 -7.167 10.157 -3.713 622 HD21 LEU 71 3HD2 LEU 71 -5.379 6.462 -4.798 623 HD22 LEU 71 1HD2 LEU 71 -5.929 7.533 -6.088 624 HD23 LEU 71 2HD2 LEU 71 -7.104 6.752 -5.031 625 H GLU 72 H GLU 72 -2.052 9.780 -5.087 626 HA GLU 72 HA GLU 72 -1.784 8.555 -7.599 627 HB2 GLU 72 2HB GLU 72 -1.302 10.986 -6.751 628 HB3 GLU 72 1HB GLU 72 0.305 10.371 -6.408 629 HG2 GLU 72 2HG GLU 72 -0.956 10.172 -9.120 630 HG3 GLU 72 1HG GLU 72 -0.029 11.575 -8.599 631 H ASP 73 H ASP 73 0.254 8.438 -4.701 632 HA ASP 73 HA ASP 73 2.336 6.898 -5.811 633 HB2 ASP 73 2HB ASP 73 1.398 7.228 -2.961 634 HB3 ASP 73 1HB ASP 73 2.779 6.226 -3.390 635 H GLU 74 H GLU 74 -0.518 5.906 -3.917 636 HA GLU 74 HA GLU 74 0.032 3.139 -3.999 637 HB2 GLU 74 2HB GLU 74 -2.619 4.561 -3.689 638 HB3 GLU 74 1HB GLU 74 -2.344 2.855 -3.371 639 HG2 GLU 74 2HG GLU 74 -0.893 5.054 -1.933 640 HG3 GLU 74 1HG GLU 74 -2.403 4.354 -1.362 641 H GLU 75 H GLU 75 -1.893 5.229 -6.120 642 HA GLU 75 HA GLU 75 -2.910 3.288 -7.846 643 HB2 GLU 75 2HB GLU 75 -2.143 6.171 -8.239 644 HB3 GLU 75 1HB GLU 75 -2.775 5.219 -9.561 645 HG2 GLU 75 2HG GLU 75 -4.156 5.931 -6.992 646 HG3 GLU 75 1HG GLU 75 -4.565 6.470 -8.614 647 H LYS 76 H LYS 76 0.209 4.857 -7.706 648 HA LYS 76 HA LYS 76 1.233 3.803 -10.136 649 HB2 LYS 76 2HB LYS 76 2.028 5.817 -8.727 650 HB3 LYS 76 1HB LYS 76 2.895 4.626 -7.770 651 HG2 LYS 76 2HG LYS 76 4.245 3.999 -9.615 652 HG3 LYS 76 1HG LYS 76 3.241 4.921 -10.739 653 HD2 LYS 76 2HD LYS 76 4.953 6.048 -8.520 654 HD3 LYS 76 1HD LYS 76 5.279 6.145 -10.254 655 HE2 LYS 76 2HE LYS 76 3.278 7.471 -10.586 656 HE3 LYS 76 1HE LYS 76 2.864 7.312 -8.880 657 HZ1 LYS 76 3HZ LYS 76 3.844 9.429 -9.221 658 HZ2 LYS 76 1HZ LYS 76 5.181 8.766 -10.027 659 HZ3 LYS 76 2HZ LYS 76 4.964 8.489 -8.364 660 H HIS 77 H HIS 77 1.354 2.774 -6.749 661 HA HIS 77 HA HIS 77 3.168 0.647 -6.993 662 HB2 HIS 77 2HB HIS 77 0.793 0.878 -5.137 663 HB3 HIS 77 1HB HIS 77 2.110 -0.268 -4.955 664 HD2 HIS 77 2HD HIS 77 4.157 2.538 -5.743 665 HE1 HIS 77 1HE HIS 77 3.040 3.293 -1.734 666 HE2 HIS 77 2HE HIS 77 4.597 3.971 -3.622 667 H ILE 78 H ILE 78 -0.376 0.646 -7.146 668 HA ILE 78 HA ILE 78 -0.754 -2.082 -7.572 669 HB ILE 78 HB ILE 78 -2.440 0.202 -8.616 670 HG12 ILE 78 2HG1 ILE 78 -2.671 -1.410 -6.064 671 HG13 ILE 78 1HG1 ILE 78 -2.092 0.251 -6.170 672 HG21 ILE 78 1HG2 ILE 78 -4.274 -1.430 -8.645 673 HG22 ILE 78 2HG2 ILE 78 -3.138 -2.702 -8.198 674 HG23 ILE 78 3HG2 ILE 78 -2.974 -1.880 -9.749 675 HD11 ILE 78 3HD1 ILE 78 -4.861 -0.701 -6.876 676 HD12 ILE 78 1HD1 ILE 78 -4.283 0.960 -6.978 677 HD13 ILE 78 2HD1 ILE 78 -4.397 0.163 -5.412 678 H GLU 79 H GLU 79 -0.029 0.512 -9.834 679 HA GLU 79 HA GLU 79 -0.484 -0.912 -12.207 680 HB2 GLU 79 2HB GLU 79 -0.266 1.548 -12.064 681 HB3 GLU 79 1HB GLU 79 1.447 1.359 -11.710 682 HG2 GLU 79 2HG GLU 79 1.829 0.375 -13.858 683 HG3 GLU 79 1HG GLU 79 0.107 0.394 -14.216 684 H TRP 80 H TRP 80 2.404 -0.528 -10.181 685 HA TRP 80 HA TRP 80 4.210 -1.826 -11.914 686 HB2 TRP 80 2HB TRP 80 4.284 -1.742 -8.887 687 HB3 TRP 80 1HB TRP 80 5.634 -2.129 -9.945 688 HD1 TRP 80 HD TRP 80 4.791 0.445 -11.963 689 HE1 TRP 80 1HE TRP 80 5.610 2.771 -11.205 690 HE3 TRP 80 3HE TRP 80 5.654 -0.578 -7.029 691 HZ2 TRP 80 2HZ TRP 80 6.513 3.997 -8.812 692 HZ3 TRP 80 3HZ TRP 80 6.500 1.218 -5.573 693 HH2 TRP 80 HH TRP 80 6.921 3.457 -6.451 694 H HIS 81 H HIS 81 2.231 -3.034 -9.242 695 HA HIS 81 HA HIS 81 3.159 -5.710 -9.454 696 HB2 HIS 81 2HB HIS 81 0.819 -4.452 -8.038 697 HB3 HIS 81 1HB HIS 81 1.108 -6.192 -8.002 698 HD1 HIS 81 1HD HIS 81 2.929 -7.036 -6.436 699 HD2 HIS 81 2HD HIS 81 2.812 -2.893 -6.752 700 HE1 HIS 81 1HE HIS 81 4.563 -6.142 -4.719 701 H LYS 82 H LYS 82 0.491 -3.949 -10.879 702 HA LYS 82 HA LYS 82 -0.843 -6.223 -11.945 703 HB2 LYS 82 2HB LYS 82 -1.651 -3.748 -11.638 704 HB3 LYS 82 1HB LYS 82 -0.944 -3.510 -13.228 705 HG2 LYS 82 2HG LYS 82 -2.983 -5.650 -12.693 706 HG3 LYS 82 1HG LYS 82 -3.436 -3.998 -13.106 707 HD2 LYS 82 2HD LYS 82 -1.691 -5.786 -14.796 708 HD3 LYS 82 1HD LYS 82 -3.415 -5.513 -15.056 709 HE2 LYS 82 2HE LYS 82 -2.958 -3.105 -15.338 710 HE3 LYS 82 1HE LYS 82 -1.236 -3.429 -15.153 711 HZ1 LYS 82 3HZ LYS 82 -1.285 -4.773 -17.137 712 HZ2 LYS 82 1HZ LYS 82 -1.919 -3.237 -17.479 713 HZ3 LYS 82 2HZ LYS 82 -2.962 -4.555 -17.292 714 H ALA 83 H ALA 83 1.710 -4.080 -13.105 715 HA ALA 83 HA ALA 83 1.873 -5.153 -15.727 716 HB1 ALA 83 1HB ALA 83 4.044 -4.042 -15.844 717 HB2 ALA 83 2HB ALA 83 4.010 -3.776 -14.101 718 HB3 ALA 83 3HB ALA 83 2.826 -2.978 -15.138 719 H ALA 84 H ALA 84 3.507 -5.914 -12.683 720 HA ALA 84 HA ALA 84 5.209 -7.936 -13.653 721 HB1 ALA 84 1HB ALA 84 5.453 -6.898 -11.436 722 HB2 ALA 84 2HB ALA 84 5.401 -8.658 -11.341 723 HB3 ALA 84 3HB ALA 84 3.978 -7.709 -10.906 724 H SER 85 H SER 85 1.856 -7.879 -12.794 725 HA SER 85 HA SER 85 0.139 -9.267 -13.254 726 HB2 SER 85 2HB SER 85 2.160 -11.055 -14.624 727 HB3 SER 85 1HB SER 85 0.408 -11.141 -14.787 728 HG SER 85 HG SER 85 2.150 -9.080 -15.656 729 H LYS 86 H LYS 86 2.647 -11.785 -12.890 730 HA LYS 86 HA LYS 86 1.672 -12.400 -10.223 731 HB2 LYS 86 2HB LYS 86 1.385 -14.346 -12.513 732 HB3 LYS 86 1HB LYS 86 1.324 -14.825 -10.826 733 HG2 LYS 86 2HG LYS 86 -0.604 -13.212 -10.568 734 HG3 LYS 86 1HG LYS 86 -0.613 -13.090 -12.330 735 HD2 LYS 86 2HD LYS 86 -0.933 -15.512 -12.491 736 HD3 LYS 86 1HD LYS 86 -0.929 -15.629 -10.732 737 HE2 LYS 86 2HE LYS 86 -2.897 -14.101 -10.696 738 HE3 LYS 86 1HE LYS 86 -2.941 -14.193 -12.457 739 HZ1 LYS 86 3HZ LYS 86 -3.280 -16.447 -10.554 740 HZ2 LYS 86 1HZ LYS 86 -3.201 -16.617 -12.242 741 HZ3 LYS 86 2HZ LYS 86 -4.482 -15.760 -11.534 742 H GLN 87 H GLN 87 3.561 -13.877 -12.855 743 HA GLN 87 HA GLN 87 5.399 -14.954 -10.888 744 HB2 GLN 87 2HB GLN 87 5.238 -15.337 -13.877 745 HB3 GLN 87 1HB GLN 87 6.369 -16.165 -12.818 746 HG2 GLN 87 2HG GLN 87 4.535 -17.241 -11.654 747 HG3 GLN 87 1HG GLN 87 3.372 -16.364 -12.645 748 HE21 GLN 87 1HE2 GLN 87 3.775 -19.237 -12.326 749 HE22 GLN 87 2HE2 GLN 87 4.071 -19.858 -13.911 750 H GLY 88 H GLY 88 7.364 -14.266 -10.494 751 HA2 GLY 88 2HA GLY 88 8.923 -12.835 -12.452 752 HA3 GLY 88 1HA GLY 88 8.450 -11.865 -11.058 753 H ASN 89 H ASN 89 11.137 -12.859 -11.944 754 HA ASN 89 HA ASN 89 12.035 -14.927 -10.292 755 HB2 ASN 89 2HB ASN 89 13.370 -13.958 -12.145 756 HB3 ASN 89 1HB ASN 89 13.612 -12.504 -11.184 757 HD21 ASN 89 1HD2 ASN 89 15.860 -12.778 -11.203 758 HD22 ASN 89 2HD2 ASN 89 16.638 -13.998 -10.255 759 H ALA 90 H ALA 90 12.886 -15.009 -8.246 760 HA ALA 90 HA ALA 90 11.592 -13.598 -6.280 761 HB1 ALA 90 1HB ALA 90 14.277 -14.935 -6.020 762 HB2 ALA 90 2HB ALA 90 12.717 -15.756 -5.956 763 HB3 ALA 90 3HB ALA 90 13.147 -14.582 -4.711 764 H GLU 91 H GLU 91 14.805 -12.928 -7.632 765 HA GLU 91 HA GLU 91 15.571 -10.944 -5.819 766 HB2 GLU 91 2HB GLU 91 16.289 -11.360 -8.714 767 HB3 GLU 91 1HB GLU 91 17.091 -10.218 -7.661 768 HG2 GLU 91 2HG GLU 91 17.784 -12.064 -6.204 769 HG3 GLU 91 1HG GLU 91 17.007 -13.198 -7.310 770 H GLN 92 H GLN 92 13.970 -10.684 -8.966 771 HA GLN 92 HA GLN 92 13.845 -7.841 -8.923 772 HB2 GLN 92 2HB GLN 92 12.230 -9.796 -10.571 773 HB3 GLN 92 1HB GLN 92 12.412 -8.076 -10.891 774 HG2 GLN 92 2HG GLN 92 14.586 -10.154 -10.978 775 HG3 GLN 92 1HG GLN 92 13.829 -9.366 -12.360 776 HE21 GLN 92 1HE2 GLN 92 16.642 -9.455 -11.442 777 HE22 GLN 92 2HE2 GLN 92 17.122 -7.795 -11.310 778 H PHE 93 H PHE 93 11.639 -10.432 -8.058 779 HA PHE 93 HA PHE 93 9.350 -8.807 -7.679 780 HB2 PHE 93 2HB PHE 93 9.324 -11.289 -8.018 781 HB3 PHE 93 1HB PHE 93 9.965 -11.477 -6.390 782 HD1 PHE 93 2HD PHE 93 7.078 -10.126 -8.291 783 HD2 PHE 93 1HD PHE 93 8.543 -11.532 -4.552 784 HE1 PHE 93 2HE PHE 93 4.790 -10.087 -7.382 785 HE2 PHE 93 1HE PHE 93 6.262 -11.495 -3.642 786 HZ PHE 93 HZ PHE 93 4.382 -10.771 -5.053 787 H ALA 94 H ALA 94 11.861 -10.010 -5.489 788 HA ALA 94 HA ALA 94 10.777 -8.963 -3.108 789 HB1 ALA 94 1HB ALA 94 13.678 -9.470 -3.775 790 HB2 ALA 94 2HB ALA 94 12.546 -10.671 -3.146 791 HB3 ALA 94 3HB ALA 94 12.996 -9.278 -2.161 792 H SER 95 H SER 95 12.917 -7.576 -5.554 793 HA SER 95 HA SER 95 13.575 -5.230 -4.166 794 HB2 SER 95 2HB SER 95 13.377 -5.703 -7.152 795 HB3 SER 95 1HB SER 95 14.245 -4.392 -6.367 796 HG SER 95 HG SER 95 14.842 -7.144 -6.399 797 H LEU 96 H LEU 96 10.912 -6.058 -6.330 798 HA LEU 96 HA LEU 96 9.682 -3.538 -6.484 799 HB2 LEU 96 2HB LEU 96 9.075 -5.386 -7.941 800 HB3 LEU 96 1HB LEU 96 8.503 -6.315 -6.576 801 HG LEU 96 HG LEU 96 6.651 -4.757 -6.245 802 HD11 LEU 96 1HD1 LEU 96 6.223 -2.985 -7.898 803 HD12 LEU 96 2HD1 LEU 96 7.787 -3.314 -8.639 804 HD13 LEU 96 3HD1 LEU 96 7.705 -2.701 -6.988 805 HD21 LEU 96 3HD2 LEU 96 6.332 -6.651 -7.744 806 HD22 LEU 96 1HD2 LEU 96 6.913 -5.689 -9.102 807 HD23 LEU 96 2HD2 LEU 96 5.408 -5.253 -8.293 808 H VAL 97 H VAL 97 9.176 -6.242 -4.261 809 HA VAL 97 HA VAL 97 7.175 -5.051 -2.695 810 HB VAL 97 HB VAL 97 9.214 -7.138 -1.906 811 HG11 VAL 97 1HG1 VAL 97 6.620 -6.377 -0.571 812 HG12 VAL 97 2HG1 VAL 97 8.242 -6.112 0.070 813 HG13 VAL 97 3HG1 VAL 97 7.633 -7.752 -0.136 814 HG21 VAL 97 3HG2 VAL 97 7.399 -8.732 -2.352 815 HG22 VAL 97 1HG2 VAL 97 7.864 -7.831 -3.794 816 HG23 VAL 97 2HG2 VAL 97 6.390 -7.405 -2.925 817 H GLN 98 H GLN 98 10.703 -5.006 -2.408 818 HA GLN 98 HA GLN 98 10.859 -3.733 0.097 819 HB2 GLN 98 2HB GLN 98 12.751 -4.887 -0.958 820 HB3 GLN 98 1HB GLN 98 12.810 -3.659 -2.212 821 HG2 GLN 98 2HG GLN 98 13.380 -1.974 -0.546 822 HG3 GLN 98 1HG GLN 98 13.308 -3.197 0.720 823 HE21 GLN 98 1HE2 GLN 98 15.458 -2.854 1.289 824 HE22 GLN 98 2HE2 GLN 98 16.758 -3.433 0.303 825 H GLN 99 H GLN 99 10.839 -2.383 -3.197 826 HA GLN 99 HA GLN 99 11.134 0.311 -2.333 827 HB2 GLN 99 2HB GLN 99 10.154 -0.856 -4.939 828 HB3 GLN 99 1HB GLN 99 10.349 0.871 -4.667 829 HG2 GLN 99 2HG GLN 99 12.743 0.462 -4.143 830 HG3 GLN 99 1HG GLN 99 12.505 -1.225 -4.602 831 HE21 GLN 99 1HE2 GLN 99 12.666 2.063 -5.714 832 HE22 GLN 99 2HE2 GLN 99 12.841 1.696 -7.398 833 H HIS 100 H HIS 100 8.372 -1.757 -2.947 834 HA HIS 100 HA HIS 100 6.359 0.221 -2.691 835 HB2 HIS 100 2HB HIS 100 6.165 -2.202 -3.558 836 HB3 HIS 100 1HB HIS 100 6.066 -2.674 -1.866 837 HD1 HIS 100 1HD HIS 100 3.740 -3.131 -3.928 838 HD2 HIS 100 2HD HIS 100 4.014 0.062 -1.280 839 HE1 HIS 100 1HE HIS 100 1.379 -2.309 -3.564 840 H LEU 101 H LEU 101 8.009 -1.896 -0.409 841 HA LEU 101 HA LEU 101 6.562 -1.342 1.910 842 HB2 LEU 101 2HB LEU 101 8.910 -2.742 1.180 843 HB3 LEU 101 1HB LEU 101 9.338 -1.699 2.519 844 HG LEU 101 HG LEU 101 7.085 -3.711 2.545 845 HD11 LEU 101 1HD1 LEU 101 8.534 -4.965 4.086 846 HD12 LEU 101 2HD1 LEU 101 9.839 -3.823 3.764 847 HD13 LEU 101 3HD1 LEU 101 9.214 -4.838 2.464 848 HD21 LEU 101 3HD2 LEU 101 7.045 -3.266 4.956 849 HD22 LEU 101 1HD2 LEU 101 6.653 -1.828 4.012 850 HD23 LEU 101 2HD2 LEU 101 8.254 -2.000 4.735 851 H GLN 102 H GLN 102 9.476 0.238 0.625 852 HA GLN 102 HA GLN 102 9.942 2.060 2.655 853 HB2 GLN 102 2HB GLN 102 10.834 1.512 0.025 854 HB3 GLN 102 1HB GLN 102 10.468 3.225 0.098 855 HG2 GLN 102 2HG GLN 102 12.133 1.941 2.212 856 HG3 GLN 102 1HG GLN 102 12.830 2.388 0.661 857 HE21 GLN 102 1HE2 GLN 102 13.016 4.556 0.126 858 HE22 GLN 102 2HE2 GLN 102 12.885 5.814 1.306 859 H ASP 103 H ASP 103 7.883 2.313 -0.191 860 HA ASP 103 HA ASP 103 7.089 4.990 0.153 861 HB2 ASP 103 2HB ASP 103 6.283 2.687 -1.490 862 HB3 ASP 103 1HB ASP 103 5.009 3.863 -1.199 863 H GLU 104 H GLU 104 5.574 1.939 1.167 864 HA GLU 104 HA GLU 104 3.190 3.124 2.091 865 HB2 GLU 104 2HB GLU 104 4.453 0.508 2.906 866 HB3 GLU 104 1HB GLU 104 2.812 1.004 3.304 867 HG2 GLU 104 2HG GLU 104 3.945 0.446 0.577 868 HG3 GLU 104 1HG GLU 104 2.722 -0.478 1.442 869 H GLN 105 H GLN 105 6.232 2.394 3.752 870 HA GLN 105 HA GLN 105 5.331 3.073 6.334 871 HB2 GLN 105 2HB GLN 105 8.106 3.192 5.143 872 HB3 GLN 105 1HB GLN 105 7.732 3.312 6.849 873 HG2 GLN 105 2HG GLN 105 6.674 1.042 6.680 874 HG3 GLN 105 1HG GLN 105 7.357 0.939 5.059 875 HE21 GLN 105 1HE2 GLN 105 8.942 2.474 7.788 876 HE22 GLN 105 2HE2 GLN 105 10.213 1.312 7.945 877 H ARG 106 H ARG 106 6.566 4.928 3.650 878 HA ARG 106 HA ARG 106 6.885 7.408 5.021 879 HB2 ARG 106 2HB ARG 106 7.911 6.804 2.805 880 HB3 ARG 106 1HB ARG 106 6.318 6.947 2.080 881 HG2 ARG 106 2HG ARG 106 6.631 9.117 1.799 882 HG3 ARG 106 1HG ARG 106 6.835 9.327 3.541 883 HD2 ARG 106 2HD ARG 106 8.980 8.628 1.540 884 HD3 ARG 106 1HD ARG 106 8.792 10.159 2.393 885 HE ARG 106 HE ARG 106 9.045 8.512 4.454 886 HH11 ARG 106 1HH1 ARG 106 10.839 8.545 1.434 887 HH12 ARG 106 2HH1 ARG 106 12.308 7.954 2.163 888 HH21 ARG 106 1HH2 ARG 106 10.951 7.715 5.391 889 HH22 ARG 106 2HH2 ARG 106 12.362 7.471 4.409 890 H HIS 107 H HIS 107 4.192 5.834 3.362 891 HA HIS 107 HA HIS 107 2.390 8.010 3.430 892 HB2 HIS 107 2HB HIS 107 1.839 5.034 3.555 893 HB3 HIS 107 1HB HIS 107 0.604 6.261 3.318 894 HD2 HIS 107 2HD HIS 107 3.038 7.717 1.151 895 HE1 HIS 107 1HE HIS 107 1.505 4.535 -1.177 896 HE2 HIS 107 2HE HIS 107 2.738 6.746 -1.237 897 H VAL 108 H VAL 108 3.040 5.395 5.738 898 HA VAL 108 HA VAL 108 1.224 6.183 7.723 899 HB VAL 108 HB VAL 108 3.931 4.880 8.114 900 HG11 VAL 108 1HG1 VAL 108 3.006 4.042 10.222 901 HG12 VAL 108 2HG1 VAL 108 1.525 4.959 9.938 902 HG13 VAL 108 3HG1 VAL 108 3.051 5.808 10.195 903 HG21 VAL 108 3HG2 VAL 108 2.520 3.612 6.592 904 HG22 VAL 108 1HG2 VAL 108 1.200 3.650 7.761 905 HG23 VAL 108 2HG2 VAL 108 2.683 2.772 8.135 906 H GLU 109 H GLU 109 4.550 7.161 7.069 907 HA GLU 109 HA GLU 109 4.994 8.886 9.200 908 HB2 GLU 109 2HB GLU 109 5.982 8.818 6.363 909 HB3 GLU 109 1HB GLU 109 6.499 10.073 7.457 910 HG2 GLU 109 2HG GLU 109 7.299 8.276 9.002 911 HG3 GLU 109 1HG GLU 109 6.963 7.123 7.709 912 H GLU 110 H GLU 110 3.256 9.416 6.172 913 HA GLU 110 HA GLU 110 2.923 12.211 6.474 914 HB2 GLU 110 2HB GLU 110 1.318 10.203 4.884 915 HB3 GLU 110 1HB GLU 110 1.269 11.934 4.678 916 HG2 GLU 110 2HG GLU 110 3.719 10.260 4.255 917 HG3 GLU 110 1HG GLU 110 2.604 10.730 2.977 918 H ILE 111 H ILE 111 0.850 9.405 7.176 919 HA ILE 111 HA ILE 111 -1.426 10.971 7.894 920 HB ILE 111 HB ILE 111 -0.878 8.052 8.447 921 HG12 ILE 111 2HG1 ILE 111 -2.375 9.357 6.161 922 HG13 ILE 111 1HG1 ILE 111 -0.765 8.655 6.042 923 HG21 ILE 111 1HG2 ILE 111 -3.314 7.853 8.624 924 HG22 ILE 111 2HG2 ILE 111 -3.469 9.598 8.424 925 HG23 ILE 111 3HG2 ILE 111 -2.658 8.942 9.846 926 HD11 ILE 111 3HD1 ILE 111 -3.297 7.170 6.709 927 HD12 ILE 111 1HD1 ILE 111 -1.683 6.464 6.619 928 HD13 ILE 111 2HD1 ILE 111 -2.433 7.135 5.172 929 H GLU 112 H GLU 112 1.104 9.360 9.784 930 HA GLU 112 HA GLU 112 -0.175 9.426 12.269 931 HB2 GLU 112 2HB GLU 112 2.637 9.153 11.325 932 HB3 GLU 112 1HB GLU 112 2.326 9.360 13.036 933 HG2 GLU 112 2HG GLU 112 0.995 7.235 11.396 934 HG3 GLU 112 1HG GLU 112 2.541 6.992 12.208 935 H LYS 113 H LYS 113 1.458 11.929 10.513 936 HA LYS 113 HA LYS 113 1.917 13.505 12.918 937 HB2 LYS 113 2HB LYS 113 2.639 13.992 10.028 938 HB3 LYS 113 1HB LYS 113 3.028 15.093 11.345 939 HG2 LYS 113 2HG LYS 113 4.352 13.351 12.420 940 HG3 LYS 113 1HG LYS 113 3.963 12.240 11.105 941 HD2 LYS 113 2HD LYS 113 5.113 13.648 9.523 942 HD3 LYS 113 1HD LYS 113 5.406 14.866 10.769 943 HE2 LYS 113 2HE LYS 113 6.772 13.260 12.015 944 HE3 LYS 113 1HE LYS 113 6.475 12.045 10.770 945 HZ1 LYS 113 3HZ LYS 113 8.632 13.199 10.561 946 HZ2 LYS 113 1HZ LYS 113 7.809 14.647 10.265 947 HZ3 LYS 113 2HZ LYS 113 7.659 13.346 9.184 948 H LYS 114 H LYS 114 -0.763 13.115 12.507 949 HA LYS 114 HA LYS 114 -1.852 15.493 11.264 950 HB2 LYS 114 2HB LYS 114 -3.065 13.280 11.260 951 HB3 LYS 114 1HB LYS 114 -3.282 13.454 12.991 952 HG2 LYS 114 2HG LYS 114 -4.319 15.479 11.017 953 HG3 LYS 114 1HG LYS 114 -5.255 14.080 11.540 954 HD2 LYS 114 2HD LYS 114 -5.190 14.827 13.830 955 HD3 LYS 114 1HD LYS 114 -4.099 16.148 13.409 956 HE2 LYS 114 2HE LYS 114 -5.899 17.055 11.936 957 HE3 LYS 114 1HE LYS 114 -6.975 15.811 12.571 958 HZ1 LYS 114 3HZ LYS 114 -6.643 16.721 14.795 959 HZ2 LYS 114 1HZ LYS 114 -7.267 17.893 13.746 960 HZ3 LYS 114 2HZ LYS 114 -5.626 17.925 14.173 961 H ASN 115 H ASN 115 -1.720 17.374 12.256 962 HA ASN 115 HA ASN 115 -2.185 17.463 15.167 963 HB2 ASN 115 2HB ASN 115 -0.139 18.862 13.501 964 HB3 ASN 115 1HB ASN 115 -0.828 19.731 14.866 965 HD21 ASN 115 1HD2 ASN 115 -0.506 16.278 14.993 966 HD22 ASN 115 2HD2 ASN 115 0.811 16.241 16.117 Start of MODEL 5 1 H1 MET 1 H1 MET 1 -17.686 8.126 11.999 2 H2 MET 1 H2 MET 1 -17.033 7.176 13.235 3 H3 MET 1 H3 MET 1 -18.542 6.771 12.573 4 HA MET 1 HA MET 1 -16.974 5.276 11.669 5 HB2 MET 1 2HB MET 1 -17.397 7.463 9.615 6 HB3 MET 1 1HB MET 1 -17.174 5.746 9.304 7 HG2 MET 1 2HG MET 1 -19.299 5.228 10.269 8 HG3 MET 1 1HG MET 1 -19.511 6.893 10.806 9 HE1 MET 1 2HE MET 1 -22.254 6.645 8.065 10 HE2 MET 1 3HE MET 1 -21.880 7.130 9.719 11 HE3 MET 1 1HE MET 1 -21.789 5.428 9.254 12 H ASP 2 H ASP 2 -14.900 5.154 12.376 13 HA ASP 2 HA ASP 2 -13.265 7.423 12.668 14 HB2 ASP 2 2HB ASP 2 -13.144 5.251 13.982 15 HB3 ASP 2 1HB ASP 2 -12.247 4.588 12.618 16 H GLU 3 H GLU 3 -12.209 8.517 11.220 17 HA GLU 3 HA GLU 3 -11.589 7.284 8.638 18 HB2 GLU 3 2HB GLU 3 -11.595 10.206 9.423 19 HB3 GLU 3 1HB GLU 3 -11.418 9.567 7.794 20 HG2 GLU 3 2HG GLU 3 -13.609 9.519 7.521 21 HG3 GLU 3 1HG GLU 3 -13.815 8.542 8.974 22 H LEU 4 H LEU 4 -9.993 7.346 11.360 23 HA LEU 4 HA LEU 4 -7.476 8.341 10.179 24 HB2 LEU 4 2HB LEU 4 -8.304 8.278 13.081 25 HB3 LEU 4 1HB LEU 4 -6.711 8.736 12.508 26 HG LEU 4 HG LEU 4 -9.277 10.195 11.866 27 HD11 LEU 4 1HD1 LEU 4 -8.639 10.426 14.217 28 HD12 LEU 4 2HD1 LEU 4 -8.422 11.939 13.338 29 HD13 LEU 4 3HD1 LEU 4 -7.024 10.938 13.729 30 HD21 LEU 4 3HD2 LEU 4 -7.804 11.911 10.932 31 HD22 LEU 4 1HD2 LEU 4 -7.619 10.378 10.082 32 HD23 LEU 4 2HD2 LEU 4 -6.403 10.890 11.254 33 H ARG 5 H ARG 5 -8.724 6.039 12.600 34 HA ARG 5 HA ARG 5 -6.321 4.553 12.726 35 HB2 ARG 5 2HB ARG 5 -9.149 3.896 13.548 36 HB3 ARG 5 1HB ARG 5 -7.760 2.898 13.915 37 HG2 ARG 5 2HG ARG 5 -8.179 5.726 14.836 38 HG3 ARG 5 1HG ARG 5 -8.402 4.273 15.813 39 HD2 ARG 5 2HD ARG 5 -5.823 5.265 14.602 40 HD3 ARG 5 1HD ARG 5 -6.253 5.268 16.311 41 HE ARG 5 HE ARG 5 -6.393 2.636 15.287 42 HH11 ARG 5 1HH1 ARG 5 -4.081 5.077 16.298 43 HH12 ARG 5 2HH1 ARG 5 -2.812 3.920 16.587 44 HH21 ARG 5 1HH2 ARG 5 -4.738 1.141 15.670 45 HH22 ARG 5 2HH2 ARG 5 -3.179 1.680 16.225 46 H GLU 6 H GLU 6 -9.408 4.051 11.046 47 HA GLU 6 HA GLU 6 -8.736 1.504 10.017 48 HB2 GLU 6 2HB GLU 6 -10.736 3.497 8.936 49 HB3 GLU 6 1HB GLU 6 -10.678 1.780 8.566 50 HG2 GLU 6 2HG GLU 6 -11.362 3.070 11.189 51 HG3 GLU 6 1HG GLU 6 -12.418 2.129 10.140 52 H LEU 7 H LEU 7 -8.264 4.770 8.885 53 HA LEU 7 HA LEU 7 -7.543 4.174 6.216 54 HB2 LEU 7 2HB LEU 7 -8.160 6.433 7.183 55 HB3 LEU 7 1HB LEU 7 -6.556 6.487 7.884 56 HG LEU 7 HG LEU 7 -5.616 6.306 5.566 57 HD11 LEU 7 1HD1 LEU 7 -8.477 6.806 4.767 58 HD12 LEU 7 2HD1 LEU 7 -7.575 5.314 4.493 59 HD13 LEU 7 3HD1 LEU 7 -7.082 6.805 3.690 60 HD21 LEU 7 3HD2 LEU 7 -6.067 8.648 5.001 61 HD22 LEU 7 1HD2 LEU 7 -5.750 8.440 6.724 62 HD23 LEU 7 2HD2 LEU 7 -7.403 8.662 6.152 63 H LEU 8 H LEU 8 -5.653 4.679 9.169 64 HA LEU 8 HA LEU 8 -3.104 4.209 8.041 65 HB2 LEU 8 2HB LEU 8 -3.644 5.290 10.257 66 HB3 LEU 8 1HB LEU 8 -3.964 3.690 10.884 67 HG LEU 8 HG LEU 8 -1.620 3.052 10.377 68 HD11 LEU 8 1HD1 LEU 8 -1.331 5.978 9.705 69 HD12 LEU 8 2HD1 LEU 8 -1.170 4.623 8.588 70 HD13 LEU 8 3HD1 LEU 8 -0.002 4.833 9.894 71 HD21 LEU 8 3HD2 LEU 8 -2.254 3.788 12.612 72 HD22 LEU 8 1HD2 LEU 8 -1.955 5.465 12.157 73 HD23 LEU 8 2HD2 LEU 8 -0.619 4.317 12.218 74 H LYS 9 H LYS 9 -5.475 2.136 9.591 75 HA LYS 9 HA LYS 9 -4.007 -0.224 9.784 76 HB2 LYS 9 2HB LYS 9 -6.946 0.310 9.464 77 HB3 LYS 9 1HB LYS 9 -6.321 -1.329 9.585 78 HG2 LYS 9 2HG LYS 9 -5.474 -0.935 11.767 79 HG3 LYS 9 1HG LYS 9 -5.769 0.796 11.636 80 HD2 LYS 9 2HD LYS 9 -7.451 -0.267 13.043 81 HD3 LYS 9 1HD LYS 9 -8.183 0.385 11.578 82 HE2 LYS 9 2HE LYS 9 -7.305 -2.466 11.649 83 HE3 LYS 9 1HE LYS 9 -8.814 -2.005 12.436 84 HZ1 LYS 9 3HZ LYS 9 -9.208 -2.728 10.179 85 HZ2 LYS 9 1HZ LYS 9 -8.136 -1.565 9.577 86 HZ3 LYS 9 2HZ LYS 9 -9.576 -1.079 10.327 87 H ALA 10 H ALA 10 -5.748 1.118 7.023 88 HA ALA 10 HA ALA 10 -5.647 -1.161 5.374 89 HB1 ALA 10 1HB ALA 10 -6.013 0.375 3.512 90 HB2 ALA 10 2HB ALA 10 -5.626 1.743 4.555 91 HB3 ALA 10 3HB ALA 10 -7.064 0.771 4.874 92 H GLU 11 H GLU 11 -3.418 1.569 5.724 93 HA GLU 11 HA GLU 11 -1.529 0.702 3.811 94 HB2 GLU 11 2HB GLU 11 -1.289 2.535 6.199 95 HB3 GLU 11 1HB GLU 11 0.024 2.260 5.064 96 HG2 GLU 11 2HG GLU 11 -2.674 3.255 4.206 97 HG3 GLU 11 1HG GLU 11 -1.373 4.336 4.700 98 H GLN 12 H GLN 12 -1.735 0.300 7.323 99 HA GLN 12 HA GLN 12 0.678 -1.132 7.626 100 HB2 GLN 12 2HB GLN 12 -1.825 -1.052 9.311 101 HB3 GLN 12 1HB GLN 12 -0.366 -1.911 9.790 102 HG2 GLN 12 2HG GLN 12 0.891 0.137 9.830 103 HG3 GLN 12 1HG GLN 12 -0.481 1.033 9.180 104 HE21 GLN 12 1HE2 GLN 12 1.033 1.368 11.681 105 HE22 GLN 12 2HE2 GLN 12 -0.144 1.288 12.947 106 H GLN 13 H GLN 13 -2.535 -2.105 6.683 107 HA GLN 13 HA GLN 13 -2.275 -4.891 7.036 108 HB2 GLN 13 2HB GLN 13 -4.265 -3.195 6.166 109 HB3 GLN 13 1HB GLN 13 -3.839 -4.050 4.690 110 HG2 GLN 13 2HG GLN 13 -4.814 -5.222 7.282 111 HG3 GLN 13 1HG GLN 13 -5.639 -5.209 5.726 112 HE21 GLN 13 1HE2 GLN 13 -5.003 -6.654 4.132 113 HE22 GLN 13 2HE2 GLN 13 -4.004 -8.023 4.477 114 H GLY 14 H GLY 14 -1.578 -2.774 4.302 115 HA2 GLY 14 2HA GLY 14 -0.657 -4.831 2.575 116 HA3 GLY 14 1HA GLY 14 -0.324 -3.118 2.399 117 H ILE 15 H ILE 15 1.013 -2.637 4.810 118 HA ILE 15 HA ILE 15 3.639 -3.424 4.251 119 HB ILE 15 HB ILE 15 2.469 -2.526 6.892 120 HG12 ILE 15 2HG1 ILE 15 3.932 -0.974 4.741 121 HG13 ILE 15 1HG1 ILE 15 2.198 -0.911 5.042 122 HG21 ILE 15 1HG2 ILE 15 5.352 -2.658 6.008 123 HG22 ILE 15 2HG2 ILE 15 4.591 -3.668 7.238 124 HG23 ILE 15 3HG2 ILE 15 4.771 -1.934 7.507 125 HD11 ILE 15 3HD1 ILE 15 4.376 -0.013 6.911 126 HD12 ILE 15 1HD1 ILE 15 2.652 -0.018 7.286 127 HD13 ILE 15 2HD1 ILE 15 3.271 1.014 5.998 128 H LYS 16 H LYS 16 1.250 -4.788 6.480 129 HA LYS 16 HA LYS 16 2.795 -6.794 7.637 130 HB2 LYS 16 2HB LYS 16 -0.066 -6.216 7.213 131 HB3 LYS 16 1HB LYS 16 0.314 -7.897 7.491 132 HG2 LYS 16 2HG LYS 16 1.443 -7.275 9.586 133 HG3 LYS 16 1HG LYS 16 0.999 -5.593 9.299 134 HD2 LYS 16 2HD LYS 16 -0.959 -7.871 9.567 135 HD3 LYS 16 1HD LYS 16 -0.533 -6.754 10.864 136 HE2 LYS 16 2HE LYS 16 -1.438 -4.903 9.651 137 HE3 LYS 16 1HE LYS 16 -1.680 -5.897 8.216 138 HZ1 LYS 16 3HZ LYS 16 -3.057 -6.339 10.812 139 HZ2 LYS 16 1HZ LYS 16 -3.353 -7.151 9.354 140 HZ3 LYS 16 2HZ LYS 16 -3.728 -5.503 9.499 141 H ILE 17 H ILE 17 0.791 -6.829 4.710 142 HA ILE 17 HA ILE 17 1.326 -9.498 3.956 143 HB ILE 17 HB ILE 17 0.553 -7.104 2.255 144 HG12 ILE 17 2HG1 ILE 17 -1.133 -9.353 3.390 145 HG13 ILE 17 1HG1 ILE 17 -1.058 -7.718 4.040 146 HG21 ILE 17 1HG2 ILE 17 0.442 -10.044 1.573 147 HG22 ILE 17 2HG2 ILE 17 1.580 -8.876 0.904 148 HG23 ILE 17 3HG2 ILE 17 -0.145 -8.721 0.567 149 HD11 ILE 17 3HD1 ILE 17 -2.054 -8.486 1.306 150 HD12 ILE 17 1HD1 ILE 17 -1.975 -6.848 1.955 151 HD13 ILE 17 2HD1 ILE 17 -3.045 -8.040 2.694 152 H LEU 18 H LEU 18 2.876 -6.425 3.098 153 HA LEU 18 HA LEU 18 4.669 -7.416 1.205 154 HB2 LEU 18 2HB LEU 18 4.916 -5.071 3.075 155 HB3 LEU 18 1HB LEU 18 6.023 -5.384 1.752 156 HG LEU 18 HG LEU 18 3.061 -4.924 1.405 157 HD11 LEU 18 1HD1 LEU 18 3.673 -2.712 0.584 158 HD12 LEU 18 2HD1 LEU 18 5.364 -3.027 0.980 159 HD13 LEU 18 3HD1 LEU 18 4.159 -2.923 2.265 160 HD21 LEU 18 3HD2 LEU 18 4.031 -6.245 -0.377 161 HD22 LEU 18 1HD2 LEU 18 5.341 -5.083 -0.568 162 HD23 LEU 18 2HD2 LEU 18 3.684 -4.619 -0.961 163 H LYS 19 H LYS 19 5.135 -6.982 4.715 164 HA LYS 19 HA LYS 19 7.765 -7.979 4.735 165 HB2 LYS 19 2HB LYS 19 5.675 -7.752 6.896 166 HB3 LYS 19 1HB LYS 19 7.324 -8.250 7.188 167 HG2 LYS 19 2HG LYS 19 8.035 -6.066 6.126 168 HG3 LYS 19 1HG LYS 19 6.342 -5.589 6.239 169 HD2 LYS 19 2HD LYS 19 6.405 -5.898 8.657 170 HD3 LYS 19 1HD LYS 19 8.090 -6.420 8.555 171 HE2 LYS 19 2HE LYS 19 8.650 -4.212 7.561 172 HE3 LYS 19 1HE LYS 19 6.984 -3.707 7.835 173 HZ1 LYS 19 3HZ LYS 19 8.312 -2.904 9.616 174 HZ2 LYS 19 1HZ LYS 19 9.003 -4.433 9.887 175 HZ3 LYS 19 2HZ LYS 19 7.364 -4.170 10.237 176 H GLU 20 H GLU 20 4.610 -9.512 5.043 177 HA GLU 20 HA GLU 20 5.481 -12.073 5.770 178 HB2 GLU 20 2HB GLU 20 3.060 -10.741 4.924 179 HB3 GLU 20 1HB GLU 20 3.174 -12.331 4.208 180 HG2 GLU 20 2HG GLU 20 3.310 -11.668 7.140 181 HG3 GLU 20 1HG GLU 20 1.954 -12.410 6.293 182 H VAL 21 H VAL 21 4.777 -10.627 2.593 183 HA VAL 21 HA VAL 21 5.480 -12.895 1.064 184 HB VAL 21 HB VAL 21 5.556 -9.974 0.276 185 HG11 VAL 21 1HG1 VAL 21 5.440 -10.782 -2.029 186 HG12 VAL 21 2HG1 VAL 21 5.557 -12.443 -1.451 187 HG13 VAL 21 3HG1 VAL 21 6.909 -11.334 -1.225 188 HG21 VAL 21 3HG2 VAL 21 3.347 -10.657 0.978 189 HG22 VAL 21 1HG2 VAL 21 3.426 -12.080 -0.062 190 HG23 VAL 21 2HG2 VAL 21 3.380 -10.469 -0.776 191 H LEU 22 H LEU 22 7.349 -10.123 2.199 192 HA LEU 22 HA LEU 22 9.779 -10.676 0.926 193 HB2 LEU 22 2HB LEU 22 9.206 -8.595 2.177 194 HB3 LEU 22 1HB LEU 22 9.386 -9.487 3.672 195 HG LEU 22 HG LEU 22 11.767 -9.896 3.112 196 HD11 LEU 22 1HD1 LEU 22 11.216 -8.018 0.814 197 HD12 LEU 22 2HD1 LEU 22 11.596 -9.736 0.678 198 HD13 LEU 22 3HD1 LEU 22 12.802 -8.613 1.308 199 HD21 LEU 22 3HD2 LEU 22 10.904 -7.009 3.143 200 HD22 LEU 22 1HD2 LEU 22 12.516 -7.601 3.538 201 HD23 LEU 22 2HD2 LEU 22 11.143 -8.041 4.554 202 H LYS 23 H LYS 23 8.376 -11.899 3.889 203 HA LYS 23 HA LYS 23 10.566 -13.446 4.784 204 HB2 LYS 23 2HB LYS 23 8.361 -12.791 5.972 205 HB3 LYS 23 1HB LYS 23 7.680 -14.190 5.170 206 HG2 LYS 23 2HG LYS 23 9.368 -15.612 6.256 207 HG3 LYS 23 1HG LYS 23 9.967 -14.194 7.123 208 HD2 LYS 23 2HD LYS 23 7.158 -15.286 7.274 209 HD3 LYS 23 1HD LYS 23 8.415 -15.531 8.490 210 HE2 LYS 23 2HE LYS 23 8.468 -13.209 9.013 211 HE3 LYS 23 1HE LYS 23 7.460 -12.810 7.623 212 HZ1 LYS 23 3HZ LYS 23 6.559 -14.455 9.918 213 HZ2 LYS 23 1HZ LYS 23 5.606 -13.892 8.635 214 HZ3 LYS 23 2HZ LYS 23 6.259 -12.795 9.760 215 H LYS 24 H LYS 24 7.688 -14.232 2.906 216 HA LYS 24 HA LYS 24 8.221 -16.932 2.390 217 HB2 LYS 24 2HB LYS 24 6.477 -14.862 1.183 218 HB3 LYS 24 1HB LYS 24 6.819 -16.271 0.190 219 HG2 LYS 24 2HG LYS 24 4.757 -16.542 1.442 220 HG3 LYS 24 1HG LYS 24 5.965 -17.731 1.931 221 HD2 LYS 24 2HD LYS 24 6.531 -16.280 3.864 222 HD3 LYS 24 1HD LYS 24 5.201 -15.214 3.403 223 HE2 LYS 24 2HE LYS 24 4.570 -16.798 5.186 224 HE3 LYS 24 1HE LYS 24 3.606 -17.001 3.724 225 HZ1 LYS 24 3HZ LYS 24 4.697 -18.959 3.180 226 HZ2 LYS 24 1HZ LYS 24 4.525 -19.071 4.860 227 HZ3 LYS 24 2HZ LYS 24 6.023 -18.637 4.184 228 H ALA 25 H ALA 25 9.583 -14.088 0.973 229 HA ALA 25 HA ALA 25 10.516 -15.154 -1.452 230 HB1 ALA 25 1HB ALA 25 11.760 -12.986 0.238 231 HB2 ALA 25 2HB ALA 25 10.494 -12.759 -0.970 232 HB3 ALA 25 3HB ALA 25 12.098 -13.300 -1.465 233 H LYS 26 H LYS 26 11.647 -15.521 1.814 234 HA LYS 26 HA LYS 26 14.248 -16.526 1.145 235 HB2 LYS 26 2HB LYS 26 13.228 -15.610 3.437 236 HB3 LYS 26 1HB LYS 26 12.874 -17.312 3.680 237 HG2 LYS 26 2HG LYS 26 15.619 -16.217 3.098 238 HG3 LYS 26 1HG LYS 26 14.993 -16.535 4.711 239 HD2 LYS 26 2HD LYS 26 15.132 -18.672 2.601 240 HD3 LYS 26 1HD LYS 26 16.496 -18.305 3.652 241 HE2 LYS 26 2HE LYS 26 15.424 -20.079 4.722 242 HE3 LYS 26 1HE LYS 26 14.858 -18.657 5.590 243 HZ1 LYS 26 3HZ LYS 26 12.788 -18.750 4.432 244 HZ2 LYS 26 1HZ LYS 26 13.100 -20.294 5.059 245 HZ3 LYS 26 2HZ LYS 26 13.345 -19.992 3.415 246 H GLU 27 H GLU 27 11.056 -17.865 1.679 247 HA GLU 27 HA GLU 27 11.841 -20.607 1.625 248 HB2 GLU 27 2HB GLU 27 9.141 -19.348 1.088 249 HB3 GLU 27 1HB GLU 27 9.432 -21.053 1.418 250 HG2 GLU 27 2HG GLU 27 10.231 -20.508 3.643 251 HG3 GLU 27 1HG GLU 27 10.012 -18.790 3.317 252 H GLY 28 H GLY 28 10.357 -18.426 -0.750 253 HA2 GLY 28 2HA GLY 28 10.848 -18.223 -2.990 254 HA3 GLY 28 1HA GLY 28 12.035 -19.501 -2.809 255 H ASP 29 H ASP 29 8.465 -19.359 -2.470 256 HA ASP 29 HA ASP 29 8.335 -21.582 -4.385 257 HB2 ASP 29 2HB ASP 29 7.048 -21.842 -2.269 258 HB3 ASP 29 1HB ASP 29 6.089 -20.432 -2.712 259 H GLU 30 H GLU 30 7.875 -21.162 -6.418 260 HA GLU 30 HA GLU 30 7.747 -18.485 -7.313 261 HB2 GLU 30 2HB GLU 30 7.108 -20.974 -8.907 262 HB3 GLU 30 1HB GLU 30 7.635 -19.419 -9.537 263 HG2 GLU 30 2HG GLU 30 9.794 -19.694 -8.441 264 HG3 GLU 30 1HG GLU 30 9.272 -21.250 -7.797 265 H GLN 31 H GLN 31 5.312 -21.032 -7.093 266 HA GLN 31 HA GLN 31 3.282 -19.543 -8.429 267 HB2 GLN 31 2HB GLN 31 3.136 -22.003 -6.686 268 HB3 GLN 31 1HB GLN 31 1.776 -21.342 -7.582 269 HG2 GLN 31 2HG GLN 31 2.999 -21.680 -9.675 270 HG3 GLN 31 1HG GLN 31 4.339 -22.380 -8.767 271 HE21 GLN 31 1HE2 GLN 31 2.635 -23.522 -10.847 272 HE22 GLN 31 2HE2 GLN 31 1.946 -24.957 -10.153 273 H GLU 32 H GLU 32 4.055 -20.175 -5.038 274 HA GLU 32 HA GLU 32 1.776 -18.904 -3.954 275 HB2 GLU 32 2HB GLU 32 3.391 -20.478 -2.769 276 HB3 GLU 32 1HB GLU 32 4.467 -19.096 -2.610 277 HG2 GLU 32 2HG GLU 32 3.205 -19.402 -0.584 278 HG3 GLU 32 1HG GLU 32 2.728 -17.896 -1.369 279 H LEU 33 H LEU 33 5.028 -17.727 -4.736 280 HA LEU 33 HA LEU 33 4.771 -15.162 -3.636 281 HB2 LEU 33 2HB LEU 33 6.423 -16.184 -5.935 282 HB3 LEU 33 1HB LEU 33 6.529 -14.530 -5.361 283 HG LEU 33 HG LEU 33 7.141 -16.998 -3.732 284 HD11 LEU 33 1HD1 LEU 33 8.817 -16.542 -5.445 285 HD12 LEU 33 2HD1 LEU 33 9.448 -16.214 -3.830 286 HD13 LEU 33 3HD1 LEU 33 8.956 -14.879 -4.873 287 HD21 LEU 33 3HD2 LEU 33 7.358 -14.069 -3.033 288 HD22 LEU 33 1HD2 LEU 33 7.968 -15.403 -2.051 289 HD23 LEU 33 2HD2 LEU 33 6.234 -15.234 -2.333 290 H ALA 34 H ALA 34 3.972 -16.347 -6.883 291 HA ALA 34 HA ALA 34 3.124 -13.838 -7.899 292 HB1 ALA 34 1HB ALA 34 2.106 -15.101 -9.707 293 HB2 ALA 34 2HB ALA 34 2.263 -16.594 -8.781 294 HB3 ALA 34 3HB ALA 34 3.706 -15.751 -9.342 295 H ARG 35 H ARG 35 1.526 -16.412 -6.165 296 HA ARG 35 HA ARG 35 -1.126 -15.442 -6.421 297 HB2 ARG 35 2HB ARG 35 -0.509 -17.764 -5.846 298 HB3 ARG 35 1HB ARG 35 0.093 -17.207 -4.299 299 HG2 ARG 35 2HG ARG 35 -2.032 -16.770 -3.480 300 HG3 ARG 35 1HG ARG 35 -2.749 -16.718 -5.093 301 HD2 ARG 35 2HD ARG 35 -3.242 -18.785 -3.723 302 HD3 ARG 35 1HD ARG 35 -2.604 -19.060 -5.342 303 HE ARG 35 HE ARG 35 -0.919 -19.189 -2.910 304 HH11 ARG 35 1HH1 ARG 35 -1.895 -20.403 -6.054 305 HH12 ARG 35 2HH1 ARG 35 -0.761 -21.726 -6.036 306 HH21 ARG 35 1HH2 ARG 35 0.570 -20.917 -2.884 307 HH22 ARG 35 2HH2 ARG 35 0.660 -22.004 -4.239 308 H LEU 36 H LEU 36 1.404 -15.048 -4.010 309 HA LEU 36 HA LEU 36 -0.031 -13.463 -2.175 310 HB2 LEU 36 2HB LEU 36 2.919 -13.565 -2.803 311 HB3 LEU 36 1HB LEU 36 2.239 -12.664 -1.461 312 HG LEU 36 HG LEU 36 2.057 -15.656 -1.824 313 HD11 LEU 36 1HD1 LEU 36 3.615 -15.758 0.050 314 HD12 LEU 36 2HD1 LEU 36 3.718 -13.998 0.066 315 HD13 LEU 36 3HD1 LEU 36 4.323 -14.903 -1.321 316 HD21 LEU 36 3HD2 LEU 36 1.206 -15.633 0.483 317 HD22 LEU 36 1HD2 LEU 36 0.133 -14.783 -0.627 318 HD23 LEU 36 2HD2 LEU 36 1.190 -13.873 0.449 319 H ASN 37 H ASN 37 1.690 -12.675 -5.131 320 HA ASN 37 HA ASN 37 1.748 -9.899 -4.952 321 HB2 ASN 37 2HB ASN 37 2.882 -11.051 -6.748 322 HB3 ASN 37 1HB ASN 37 1.359 -11.678 -7.366 323 HD21 ASN 37 1HD2 ASN 37 0.086 -10.409 -8.631 324 HD22 ASN 37 2HD2 ASN 37 0.583 -8.867 -9.231 325 H GLN 38 H GLN 38 -0.844 -12.026 -6.109 326 HA GLN 38 HA GLN 38 -2.717 -10.119 -6.852 327 HB2 GLN 38 2HB GLN 38 -2.573 -12.798 -6.849 328 HB3 GLN 38 1HB GLN 38 -3.630 -12.575 -5.465 329 HG2 GLN 38 2HG GLN 38 -4.218 -11.242 -8.066 330 HG3 GLN 38 1HG GLN 38 -4.625 -12.929 -7.788 331 HE21 GLN 38 1HE2 GLN 38 -5.386 -9.637 -7.046 332 HE22 GLN 38 2HE2 GLN 38 -6.832 -9.957 -6.146 333 H GLU 39 H GLU 39 -2.018 -11.543 -3.694 334 HA GLU 39 HA GLU 39 -4.148 -10.407 -2.248 335 HB2 GLU 39 2HB GLU 39 -2.748 -12.272 -1.430 336 HB3 GLU 39 1HB GLU 39 -1.381 -11.182 -1.291 337 HG2 GLU 39 2HG GLU 39 -2.254 -11.479 0.881 338 HG3 GLU 39 1HG GLU 39 -2.717 -9.860 0.362 339 H ILE 40 H ILE 40 -0.864 -9.258 -2.924 340 HA ILE 40 HA ILE 40 -0.927 -6.950 -1.318 341 HB ILE 40 HB ILE 40 0.580 -7.334 -3.915 342 HG12 ILE 40 2HG1 ILE 40 1.461 -7.879 -1.069 343 HG13 ILE 40 1HG1 ILE 40 1.018 -9.117 -2.239 344 HG21 ILE 40 1HG2 ILE 40 2.119 -5.647 -3.002 345 HG22 ILE 40 2HG2 ILE 40 1.055 -5.446 -1.608 346 HG23 ILE 40 3HG2 ILE 40 0.490 -5.005 -3.219 347 HD11 ILE 40 3HD1 ILE 40 3.328 -7.207 -2.464 348 HD12 ILE 40 1HD1 ILE 40 2.884 -8.422 -3.658 349 HD13 ILE 40 2HD1 ILE 40 3.420 -8.916 -2.057 350 H VAL 41 H VAL 41 -1.654 -7.368 -4.778 351 HA VAL 41 HA VAL 41 -2.402 -4.700 -5.283 352 HB VAL 41 HB VAL 41 -3.400 -7.179 -6.703 353 HG11 VAL 41 1HG1 VAL 41 -3.730 -5.688 -8.616 354 HG12 VAL 41 2HG1 VAL 41 -3.218 -4.313 -7.635 355 HG13 VAL 41 3HG1 VAL 41 -4.701 -5.179 -7.233 356 HG21 VAL 41 3HG2 VAL 41 -0.978 -7.150 -6.653 357 HG22 VAL 41 1HG2 VAL 41 -0.962 -5.483 -7.232 358 HG23 VAL 41 2HG2 VAL 41 -1.554 -6.775 -8.280 359 H LYS 42 H LYS 42 -4.184 -7.501 -4.160 360 HA LYS 42 HA LYS 42 -6.808 -6.575 -4.337 361 HB2 LYS 42 2HB LYS 42 -5.977 -8.898 -3.730 362 HB3 LYS 42 1HB LYS 42 -5.683 -8.284 -2.112 363 HG2 LYS 42 2HG LYS 42 -8.114 -7.694 -1.989 364 HG3 LYS 42 1HG LYS 42 -8.325 -8.569 -3.513 365 HD2 LYS 42 2HD LYS 42 -7.209 -10.541 -2.363 366 HD3 LYS 42 1HD LYS 42 -7.419 -9.648 -0.854 367 HE2 LYS 42 2HE LYS 42 -9.271 -11.102 -1.019 368 HE3 LYS 42 1HE LYS 42 -9.872 -9.496 -1.432 369 HZ1 LYS 42 3HZ LYS 42 -10.746 -11.004 -3.013 370 HZ2 LYS 42 1HZ LYS 42 -9.234 -11.717 -3.293 371 HZ3 LYS 42 2HZ LYS 42 -9.530 -10.135 -3.810 372 H ALA 43 H ALA 43 -4.461 -6.278 -1.687 373 HA ALA 43 HA ALA 43 -6.177 -4.828 0.050 374 HB1 ALA 43 1HB ALA 43 -4.172 -4.410 1.371 375 HB2 ALA 43 2HB ALA 43 -3.163 -4.963 0.036 376 HB3 ALA 43 3HB ALA 43 -4.239 -6.094 0.852 377 H GLU 44 H GLU 44 -3.633 -3.845 -2.215 378 HA GLU 44 HA GLU 44 -3.566 -1.120 -1.606 379 HB2 GLU 44 2HB GLU 44 -2.988 -2.623 -4.154 380 HB3 GLU 44 1HB GLU 44 -2.735 -0.888 -4.006 381 HG2 GLU 44 2HG GLU 44 -1.467 -2.874 -2.142 382 HG3 GLU 44 1HG GLU 44 -0.724 -2.383 -3.664 383 H LYS 45 H LYS 45 -5.523 -2.864 -4.005 384 HA LYS 45 HA LYS 45 -6.721 -0.573 -5.115 385 HB2 LYS 45 2HB LYS 45 -6.701 -2.801 -6.203 386 HB3 LYS 45 1HB LYS 45 -7.844 -3.378 -4.997 387 HG2 LYS 45 2HG LYS 45 -9.530 -1.871 -5.782 388 HG3 LYS 45 1HG LYS 45 -8.385 -1.091 -6.876 389 HD2 LYS 45 2HD LYS 45 -9.826 -2.625 -8.091 390 HD3 LYS 45 1HD LYS 45 -8.157 -3.188 -8.123 391 HE2 LYS 45 2HE LYS 45 -8.651 -4.782 -6.349 392 HE3 LYS 45 1HE LYS 45 -10.311 -4.197 -6.267 393 HZ1 LYS 45 3HZ LYS 45 -10.195 -6.209 -7.560 394 HZ2 LYS 45 1HZ LYS 45 -9.034 -5.533 -8.594 395 HZ3 LYS 45 2HZ LYS 45 -10.614 -4.913 -8.569 396 H GLN 46 H GLN 46 -7.670 -2.656 -2.412 397 HA GLN 46 HA GLN 46 -10.178 -1.426 -1.941 398 HB2 GLN 46 2HB GLN 46 -9.450 -3.615 -0.958 399 HB3 GLN 46 1HB GLN 46 -8.374 -2.725 0.109 400 HG2 GLN 46 2HG GLN 46 -10.272 -1.567 1.091 401 HG3 GLN 46 1HG GLN 46 -11.368 -2.420 0.010 402 HE21 GLN 46 1HE2 GLN 46 -11.245 -2.343 2.932 403 HE22 GLN 46 2HE2 GLN 46 -11.085 -3.991 3.441 404 H GLY 47 H GLY 47 -6.920 -0.834 -0.747 405 HA2 GLY 47 2HA GLY 47 -7.502 1.262 1.023 406 HA3 GLY 47 1HA GLY 47 -5.969 1.034 0.194 407 H VAL 48 H VAL 48 -6.636 1.395 -2.435 408 HA VAL 48 HA VAL 48 -6.766 4.182 -2.724 409 HB VAL 48 HB VAL 48 -7.394 2.049 -4.775 410 HG11 VAL 48 1HG1 VAL 48 -8.292 4.203 -5.463 411 HG12 VAL 48 2HG1 VAL 48 -6.895 3.768 -6.449 412 HG13 VAL 48 3HG1 VAL 48 -6.727 4.966 -5.164 413 HG21 VAL 48 3HG2 VAL 48 -4.833 3.544 -4.215 414 HG22 VAL 48 1HG2 VAL 48 -5.091 2.384 -5.519 415 HG23 VAL 48 2HG2 VAL 48 -5.147 1.849 -3.838 416 H LYS 49 H LYS 49 -9.247 1.706 -2.986 417 HA LYS 49 HA LYS 49 -11.400 3.190 -3.900 418 HB2 LYS 49 2HB LYS 49 -11.287 0.713 -3.551 419 HB3 LYS 49 1HB LYS 49 -11.470 0.991 -1.826 420 HG2 LYS 49 2HG LYS 49 -13.668 2.005 -2.243 421 HG3 LYS 49 1HG LYS 49 -13.475 1.663 -3.966 422 HD2 LYS 49 2HD LYS 49 -13.214 -0.748 -3.385 423 HD3 LYS 49 1HD LYS 49 -13.613 -0.340 -1.716 424 HE2 LYS 49 2HE LYS 49 -15.573 -1.176 -2.877 425 HE3 LYS 49 1HE LYS 49 -15.786 0.525 -2.460 426 HZ1 LYS 49 3HZ LYS 49 -15.407 1.170 -4.678 427 HZ2 LYS 49 1HZ LYS 49 -16.481 -0.137 -4.763 428 HZ3 LYS 49 2HZ LYS 49 -14.842 -0.366 -5.129 429 H VAL 50 H VAL 50 -10.324 2.653 -0.560 430 HA VAL 50 HA VAL 50 -12.306 4.354 0.606 431 HB VAL 50 HB VAL 50 -9.695 3.395 1.797 432 HG11 VAL 50 1HG1 VAL 50 -10.621 5.288 3.009 433 HG12 VAL 50 2HG1 VAL 50 -10.778 3.809 3.956 434 HG13 VAL 50 3HG1 VAL 50 -12.182 4.475 3.121 435 HG21 VAL 50 3HG2 VAL 50 -12.456 2.192 1.931 436 HG22 VAL 50 1HG2 VAL 50 -11.058 1.644 2.852 437 HG23 VAL 50 2HG2 VAL 50 -11.059 1.520 1.094 438 H TYR 51 H TYR 51 -8.881 4.787 -0.276 439 HA TYR 51 HA TYR 51 -8.571 7.332 0.868 440 HB2 TYR 51 2HB TYR 51 -7.115 5.756 -1.185 441 HB3 TYR 51 1HB TYR 51 -6.802 7.488 -1.139 442 HD1 TYR 51 2HD TYR 51 -6.637 4.363 0.853 443 HD2 TYR 51 1HD TYR 51 -5.479 8.446 0.574 444 HE1 TYR 51 2HE TYR 51 -5.065 4.044 2.717 445 HE2 TYR 51 1HE TYR 51 -3.910 8.136 2.436 446 HH TYR 51 HH TYR 51 -3.085 5.042 3.640 447 H LYS 52 H LYS 52 -9.768 6.358 -2.318 448 HA LYS 52 HA LYS 52 -10.027 8.911 -3.453 449 HB2 LYS 52 2HB LYS 52 -10.375 6.781 -4.677 450 HB3 LYS 52 1HB LYS 52 -11.872 6.535 -3.792 451 HG2 LYS 52 2HG LYS 52 -12.409 7.386 -5.957 452 HG3 LYS 52 1HG LYS 52 -12.738 8.645 -4.769 453 HD2 LYS 52 2HD LYS 52 -10.523 9.646 -5.305 454 HD3 LYS 52 1HD LYS 52 -10.335 8.444 -6.583 455 HE2 LYS 52 2HE LYS 52 -11.145 10.463 -7.581 456 HE3 LYS 52 1HE LYS 52 -12.455 9.284 -7.590 457 HZ1 LYS 52 3HZ LYS 52 -13.373 10.368 -5.613 458 HZ2 LYS 52 1HZ LYS 52 -13.254 11.451 -6.914 459 HZ3 LYS 52 2HZ LYS 52 -12.121 11.513 -5.654 460 H GLU 53 H GLU 53 -12.240 7.031 -1.462 461 HA GLU 53 HA GLU 53 -14.330 8.887 -1.288 462 HB2 GLU 53 2HB GLU 53 -13.406 6.574 0.395 463 HB3 GLU 53 1HB GLU 53 -14.779 7.545 0.882 464 HG2 GLU 53 2HG GLU 53 -14.571 6.155 -1.768 465 HG3 GLU 53 1HG GLU 53 -15.354 5.463 -0.349 466 H ALA 54 H ALA 54 -11.494 8.325 0.752 467 HA ALA 54 HA ALA 54 -12.119 10.174 2.776 468 HB1 ALA 54 1HB ALA 54 -9.416 9.194 1.862 469 HB2 ALA 54 2HB ALA 54 -10.451 8.427 3.069 470 HB3 ALA 54 3HB ALA 54 -9.750 10.014 3.388 471 H ALA 55 H ALA 55 -10.373 10.527 -0.275 472 HA ALA 55 HA ALA 55 -9.438 13.148 0.119 473 HB1 ALA 55 1HB ALA 55 -9.191 13.242 -2.300 474 HB2 ALA 55 2HB ALA 55 -10.204 11.809 -2.472 475 HB3 ALA 55 3HB ALA 55 -8.635 11.692 -1.674 476 H GLU 56 H GLU 56 -12.501 11.902 -1.073 477 HA GLU 56 HA GLU 56 -13.503 14.513 -1.767 478 HB2 GLU 56 2HB GLU 56 -14.905 11.836 -1.597 479 HB3 GLU 56 1HB GLU 56 -15.614 13.310 -2.249 480 HG2 GLU 56 2HG GLU 56 -13.890 13.374 -3.976 481 HG3 GLU 56 1HG GLU 56 -13.185 11.897 -3.329 482 H LYS 57 H LYS 57 -13.424 12.512 1.022 483 HA LYS 57 HA LYS 57 -15.509 13.877 2.441 484 HB2 LYS 57 2HB LYS 57 -13.428 11.872 3.135 485 HB3 LYS 57 1HB LYS 57 -14.152 12.795 4.439 486 HG2 LYS 57 2HG LYS 57 -16.364 12.010 3.756 487 HG3 LYS 57 1HG LYS 57 -15.623 11.076 2.454 488 HD2 LYS 57 2HD LYS 57 -14.537 9.635 3.965 489 HD3 LYS 57 1HD LYS 57 -14.827 10.717 5.328 490 HE2 LYS 57 2HE LYS 57 -16.967 9.250 3.796 491 HE3 LYS 57 1HE LYS 57 -16.280 8.714 5.329 492 HZ1 LYS 57 3HZ LYS 57 -17.809 11.220 4.858 493 HZ2 LYS 57 1HZ LYS 57 -17.052 10.816 6.318 494 HZ3 LYS 57 2HZ LYS 57 -18.329 9.865 5.739 495 H ALA 58 H ALA 58 -12.003 14.101 2.207 496 HA ALA 58 HA ALA 58 -11.432 15.832 4.284 497 HB1 ALA 58 1HB ALA 58 -9.445 16.474 3.034 498 HB2 ALA 58 2HB ALA 58 -10.139 15.805 1.556 499 HB3 ALA 58 3HB ALA 58 -9.728 14.739 2.898 500 H ARG 59 H ARG 59 -12.451 17.634 4.754 501 HA ARG 59 HA ARG 59 -13.610 19.292 2.675 502 HB2 ARG 59 2HB ARG 59 -13.761 19.492 5.689 503 HB3 ARG 59 1HB ARG 59 -14.670 20.488 4.557 504 HG2 ARG 59 2HG ARG 59 -15.848 18.556 3.731 505 HG3 ARG 59 1HG ARG 59 -14.865 17.491 4.734 506 HD2 ARG 59 2HD ARG 59 -17.037 17.832 5.746 507 HD3 ARG 59 1HD ARG 59 -15.777 18.557 6.742 508 HE ARG 59 HE ARG 59 -16.499 20.719 5.979 509 HH11 ARG 59 1HH1 ARG 59 -18.597 18.071 5.059 510 HH12 ARG 59 2HH1 ARG 59 -20.018 19.072 4.943 511 HH21 ARG 59 1HH2 ARG 59 -18.336 22.043 5.771 512 HH22 ARG 59 2HH2 ARG 59 -19.867 21.340 5.330 513 H ASN 60 H ASN 60 -10.620 19.087 3.650 514 HA ASN 60 HA ASN 60 -10.170 21.930 3.159 515 HB2 ASN 60 2HB ASN 60 -9.937 21.402 5.654 516 HB3 ASN 60 1HB ASN 60 -8.524 20.448 5.214 517 HD21 ASN 60 1HD2 ASN 60 -6.642 21.462 4.730 518 HD22 ASN 60 2HD2 ASN 60 -6.410 23.177 4.810 519 HA PRO 61 HA PRO 61 -8.016 20.112 -0.137 520 HB2 PRO 61 2HB PRO 61 -6.387 22.227 -0.809 521 HB3 PRO 61 1HB PRO 61 -8.091 22.085 -1.251 522 HG2 PRO 61 2HG PRO 61 -6.834 23.599 1.002 523 HG3 PRO 61 1HG PRO 61 -8.154 24.086 -0.080 524 HD2 PRO 61 2HD PRO 61 -8.640 23.233 2.407 525 HD3 PRO 61 1HD PRO 61 -9.725 22.825 1.063 526 H GLU 62 H GLU 62 -6.106 21.427 2.512 527 HA GLU 62 HA GLU 62 -3.549 20.823 1.533 528 HB2 GLU 62 2HB GLU 62 -4.152 22.191 3.581 529 HB3 GLU 62 1HB GLU 62 -4.369 20.672 4.420 530 HG2 GLU 62 2HG GLU 62 -2.003 20.103 3.764 531 HG3 GLU 62 1HG GLU 62 -1.833 21.786 3.268 532 H LYS 63 H LYS 63 -5.684 18.942 3.622 533 HA LYS 63 HA LYS 63 -3.870 16.725 3.663 534 HB2 LYS 63 2HB LYS 63 -6.703 17.018 4.660 535 HB3 LYS 63 1HB LYS 63 -5.771 15.533 4.820 536 HG2 LYS 63 2HG LYS 63 -4.026 16.865 6.032 537 HG3 LYS 63 1HG LYS 63 -5.150 18.221 6.022 538 HD2 LYS 63 2HD LYS 63 -5.855 15.533 7.177 539 HD3 LYS 63 1HD LYS 63 -5.082 16.803 8.125 540 HE2 LYS 63 2HE LYS 63 -6.980 18.301 7.527 541 HE3 LYS 63 1HE LYS 63 -7.766 16.922 6.760 542 HZ1 LYS 63 3HZ LYS 63 -8.539 17.299 9.052 543 HZ2 LYS 63 1HZ LYS 63 -6.962 17.041 9.621 544 HZ3 LYS 63 2HZ LYS 63 -7.809 15.777 8.867 545 H ARG 64 H ARG 64 -6.569 17.701 1.726 546 HA ARG 64 HA ARG 64 -7.082 15.210 0.489 547 HB2 ARG 64 2HB ARG 64 -8.649 17.094 0.332 548 HB3 ARG 64 1HB ARG 64 -7.468 18.012 -0.591 549 HG2 ARG 64 2HG ARG 64 -7.566 16.303 -2.365 550 HG3 ARG 64 1HG ARG 64 -8.820 15.463 -1.451 551 HD2 ARG 64 2HD ARG 64 -9.008 18.297 -2.468 552 HD3 ARG 64 1HD ARG 64 -9.721 16.887 -3.252 553 HE ARG 64 HE ARG 64 -10.614 17.010 -0.585 554 HH11 ARG 64 1HH1 ARG 64 -10.982 18.672 -3.639 555 HH12 ARG 64 2HH1 ARG 64 -12.592 19.239 -3.285 556 HH21 ARG 64 1HH2 ARG 64 -12.718 17.778 -0.098 557 HH22 ARG 64 2HH2 ARG 64 -13.578 18.726 -1.276 558 H GLN 65 H GLN 65 -4.803 17.815 -0.145 559 HA GLN 65 HA GLN 65 -3.850 16.909 -2.646 560 HB2 GLN 65 2HB GLN 65 -3.392 19.090 -1.025 561 HB3 GLN 65 1HB GLN 65 -1.870 18.218 -0.915 562 HG2 GLN 65 2HG GLN 65 -1.655 19.780 -2.676 563 HG3 GLN 65 1HG GLN 65 -1.801 18.186 -3.412 564 HE21 GLN 65 1HE2 GLN 65 -3.370 21.233 -2.821 565 HE22 GLN 65 2HE2 GLN 65 -4.619 21.046 -4.008 566 H VAL 66 H VAL 66 -2.869 16.233 0.670 567 HA VAL 66 HA VAL 66 -0.652 14.599 0.051 568 HB VAL 66 HB VAL 66 -2.461 14.428 2.472 569 HG11 VAL 66 1HG1 VAL 66 -1.044 12.459 2.201 570 HG12 VAL 66 2HG1 VAL 66 -0.518 13.427 3.579 571 HG13 VAL 66 3HG1 VAL 66 0.380 13.492 2.061 572 HG21 VAL 66 3HG2 VAL 66 0.063 16.030 2.046 573 HG22 VAL 66 1HG2 VAL 66 -0.823 15.888 3.564 574 HG23 VAL 66 2HG2 VAL 66 -1.571 16.682 2.176 575 H ILE 67 H ILE 67 -4.082 13.899 0.572 576 HA ILE 67 HA ILE 67 -3.928 11.104 0.344 577 HB ILE 67 HB ILE 67 -6.236 12.950 -0.296 578 HG12 ILE 67 2HG1 ILE 67 -5.641 11.278 2.157 579 HG13 ILE 67 1HG1 ILE 67 -5.387 13.016 2.040 580 HG21 ILE 67 1HG2 ILE 67 -7.668 10.994 -0.124 581 HG22 ILE 67 2HG2 ILE 67 -6.265 9.966 0.150 582 HG23 ILE 67 3HG2 ILE 67 -6.478 10.767 -1.406 583 HD11 ILE 67 3HD1 ILE 67 -7.436 12.519 3.227 584 HD12 ILE 67 1HD1 ILE 67 -8.033 11.594 1.848 585 HD13 ILE 67 2HD1 ILE 67 -7.789 13.335 1.704 586 H ASP 68 H ASP 68 -4.571 13.599 -2.128 587 HA ASP 68 HA ASP 68 -4.837 11.865 -4.331 588 HB2 ASP 68 2HB ASP 68 -5.425 14.232 -4.473 589 HB3 ASP 68 1HB ASP 68 -3.748 14.690 -4.232 590 H LYS 69 H LYS 69 -2.015 13.437 -2.922 591 HA LYS 69 HA LYS 69 -0.066 12.501 -4.693 592 HB2 LYS 69 2HB LYS 69 0.320 14.172 -2.898 593 HB3 LYS 69 1HB LYS 69 0.210 12.889 -1.702 594 HG2 LYS 69 2HG LYS 69 2.177 11.807 -2.714 595 HG3 LYS 69 1HG LYS 69 2.303 13.153 -3.852 596 HD2 LYS 69 2HD LYS 69 2.579 14.706 -1.973 597 HD3 LYS 69 1HD LYS 69 2.471 13.352 -0.844 598 HE2 LYS 69 2HE LYS 69 4.469 12.357 -1.872 599 HE3 LYS 69 1HE LYS 69 4.583 13.739 -2.962 600 HZ1 LYS 69 3HZ LYS 69 6.082 14.023 -1.114 601 HZ2 LYS 69 1HZ LYS 69 4.821 13.809 0.001 602 HZ3 LYS 69 2HZ LYS 69 4.845 15.173 -0.999 603 H ILE 70 H ILE 70 -1.355 10.979 -1.750 604 HA ILE 70 HA ILE 70 0.208 8.621 -1.947 605 HB ILE 70 HB ILE 70 -2.423 9.073 -0.525 606 HG12 ILE 70 2HG1 ILE 70 0.420 9.067 0.524 607 HG13 ILE 70 1HG1 ILE 70 -0.554 10.507 0.248 608 HG21 ILE 70 1HG2 ILE 70 -1.901 7.069 0.765 609 HG22 ILE 70 2HG2 ILE 70 -0.440 6.818 -0.194 610 HG23 ILE 70 3HG2 ILE 70 -2.026 6.691 -0.954 611 HD11 ILE 70 3HD1 ILE 70 -1.163 8.313 2.214 612 HD12 ILE 70 1HD1 ILE 70 -2.144 9.751 1.938 613 HD13 ILE 70 2HD1 ILE 70 -0.515 9.908 2.596 614 H LEU 71 H LEU 71 -3.000 9.505 -3.124 615 HA LEU 71 HA LEU 71 -3.906 7.035 -3.995 616 HB2 LEU 71 2HB LEU 71 -4.387 9.863 -4.821 617 HB3 LEU 71 1HB LEU 71 -5.059 8.575 -5.785 618 HG LEU 71 HG LEU 71 -5.601 8.979 -2.846 619 HD11 LEU 71 1HD1 LEU 71 -6.563 10.770 -4.194 620 HD12 LEU 71 2HD1 LEU 71 -7.823 9.705 -3.566 621 HD13 LEU 71 3HD1 LEU 71 -7.320 9.578 -5.252 622 HD21 LEU 71 3HD2 LEU 71 -7.339 7.302 -3.175 623 HD22 LEU 71 1HD2 LEU 71 -5.753 6.644 -3.575 624 HD23 LEU 71 2HD2 LEU 71 -6.860 7.121 -4.862 625 H GLU 72 H GLU 72 -1.971 9.461 -5.706 626 HA GLU 72 HA GLU 72 -1.721 8.060 -8.147 627 HB2 GLU 72 2HB GLU 72 -1.153 10.457 -7.818 628 HB3 GLU 72 1HB GLU 72 0.234 9.980 -6.855 629 HG2 GLU 72 2HG GLU 72 1.055 8.716 -8.870 630 HG3 GLU 72 1HG GLU 72 -0.213 9.528 -9.788 631 H ASP 73 H ASP 73 0.303 8.157 -5.245 632 HA ASP 73 HA ASP 73 2.330 6.481 -6.276 633 HB2 ASP 73 2HB ASP 73 1.608 7.273 -3.466 634 HB3 ASP 73 1HB ASP 73 2.911 6.135 -3.797 635 H GLU 74 H GLU 74 -0.592 5.733 -4.405 636 HA GLU 74 HA GLU 74 0.043 2.979 -4.128 637 HB2 GLU 74 2HB GLU 74 -2.669 4.313 -4.094 638 HB3 GLU 74 1HB GLU 74 -2.345 2.662 -3.588 639 HG2 GLU 74 2HG GLU 74 -1.242 5.153 -2.311 640 HG3 GLU 74 1HG GLU 74 -2.558 4.166 -1.690 641 H GLU 75 H GLU 75 -1.913 4.767 -6.510 642 HA GLU 75 HA GLU 75 -2.540 2.590 -8.168 643 HB2 GLU 75 2HB GLU 75 -2.299 5.546 -8.567 644 HB3 GLU 75 1HB GLU 75 -2.426 4.533 -9.986 645 HG2 GLU 75 2HG GLU 75 -4.418 4.962 -7.794 646 HG3 GLU 75 1HG GLU 75 -4.614 5.209 -9.527 647 H LYS 76 H LYS 76 0.283 4.609 -7.907 648 HA LYS 76 HA LYS 76 1.731 3.740 -10.149 649 HB2 LYS 76 2HB LYS 76 2.117 5.711 -8.541 650 HB3 LYS 76 1HB LYS 76 2.917 4.548 -7.499 651 HG2 LYS 76 2HG LYS 76 4.620 4.162 -9.121 652 HG3 LYS 76 1HG LYS 76 3.753 5.117 -10.331 653 HD2 LYS 76 2HD LYS 76 4.909 6.145 -7.736 654 HD3 LYS 76 1HD LYS 76 5.544 6.445 -9.354 655 HE2 LYS 76 2HE LYS 76 3.643 7.734 -9.960 656 HE3 LYS 76 1HE LYS 76 2.753 7.211 -8.533 657 HZ1 LYS 76 3HZ LYS 76 5.197 8.893 -8.457 658 HZ2 LYS 76 1HZ LYS 76 4.214 8.478 -7.138 659 HZ3 LYS 76 2HZ LYS 76 3.617 9.496 -8.362 660 H HIS 77 H HIS 77 1.617 2.598 -6.797 661 HA HIS 77 HA HIS 77 3.493 0.524 -6.996 662 HB2 HIS 77 2HB HIS 77 1.028 0.716 -5.248 663 HB3 HIS 77 1HB HIS 77 2.311 -0.468 -5.038 664 HD2 HIS 77 2HD HIS 77 4.603 2.072 -5.624 665 HE1 HIS 77 1HE HIS 77 3.161 3.199 -1.814 666 HE2 HIS 77 2HE HIS 77 5.080 3.417 -3.462 667 H ILE 78 H ILE 78 -0.022 0.522 -7.473 668 HA ILE 78 HA ILE 78 -0.333 -2.185 -8.092 669 HB ILE 78 HB ILE 78 -1.916 0.162 -9.160 670 HG12 ILE 78 2HG1 ILE 78 -2.400 -1.643 -6.778 671 HG13 ILE 78 1HG1 ILE 78 -1.855 0.027 -6.699 672 HG21 ILE 78 1HG2 ILE 78 -2.286 -1.831 -10.505 673 HG22 ILE 78 2HG2 ILE 78 -3.713 -1.476 -9.531 674 HG23 ILE 78 3HG2 ILE 78 -2.617 -2.773 -9.050 675 HD11 ILE 78 3HD1 ILE 78 -4.503 -0.908 -7.776 676 HD12 ILE 78 1HD1 ILE 78 -3.960 0.765 -7.672 677 HD13 ILE 78 2HD1 ILE 78 -4.225 -0.170 -6.201 678 H GLU 79 H GLU 79 0.449 0.578 -10.174 679 HA GLU 79 HA GLU 79 0.504 -0.759 -12.628 680 HB2 GLU 79 2HB GLU 79 1.775 1.714 -11.547 681 HB3 GLU 79 1HB GLU 79 2.348 1.084 -13.084 682 HG2 GLU 79 2HG GLU 79 -0.541 1.675 -12.509 683 HG3 GLU 79 1HG GLU 79 0.572 2.835 -13.239 684 H TRP 80 H TRP 80 3.030 -0.352 -10.178 685 HA TRP 80 HA TRP 80 5.137 -1.536 -11.609 686 HB2 TRP 80 2HB TRP 80 4.621 -1.477 -8.627 687 HB3 TRP 80 1HB TRP 80 6.131 -1.996 -9.360 688 HD1 TRP 80 HD TRP 80 5.569 0.687 -11.522 689 HE1 TRP 80 1HE TRP 80 6.524 2.920 -10.661 690 HE3 TRP 80 3HE TRP 80 6.159 -0.529 -6.597 691 HZ2 TRP 80 2HZ TRP 80 7.408 4.018 -8.214 692 HZ3 TRP 80 3HZ TRP 80 7.068 1.161 -5.061 693 HH2 TRP 80 HH TRP 80 7.681 3.385 -5.854 694 H HIS 81 H HIS 81 2.722 -2.927 -9.418 695 HA HIS 81 HA HIS 81 3.736 -5.570 -9.561 696 HB2 HIS 81 2HB HIS 81 1.094 -4.432 -8.679 697 HB3 HIS 81 1HB HIS 81 1.379 -6.169 -8.719 698 HD1 HIS 81 1HD HIS 81 3.075 -7.138 -6.965 699 HD2 HIS 81 2HD HIS 81 2.380 -3.049 -6.651 700 HE1 HIS 81 1HE HIS 81 4.100 -6.404 -4.767 701 H LYS 82 H LYS 82 1.375 -3.793 -11.479 702 HA LYS 82 HA LYS 82 0.329 -5.937 -12.959 703 HB2 LYS 82 2HB LYS 82 0.801 -3.061 -13.769 704 HB3 LYS 82 1HB LYS 82 -0.083 -4.219 -14.752 705 HG2 LYS 82 2HG LYS 82 -0.856 -3.374 -11.969 706 HG3 LYS 82 1HG LYS 82 -1.547 -2.729 -13.460 707 HD2 LYS 82 2HD LYS 82 -2.233 -5.069 -14.046 708 HD3 LYS 82 1HD LYS 82 -1.723 -5.553 -12.426 709 HE2 LYS 82 2HE LYS 82 -4.126 -5.145 -12.500 710 HE3 LYS 82 1HE LYS 82 -3.321 -3.980 -11.451 711 HZ1 LYS 82 3HZ LYS 82 -3.383 -2.375 -13.278 712 HZ2 LYS 82 1HZ LYS 82 -4.941 -2.881 -12.850 713 HZ3 LYS 82 2HZ LYS 82 -4.207 -3.496 -14.247 714 H ALA 83 H ALA 83 3.079 -3.807 -13.644 715 HA ALA 83 HA ALA 83 3.843 -5.034 -16.062 716 HB1 ALA 83 1HB ALA 83 5.923 -3.787 -15.827 717 HB2 ALA 83 2HB ALA 83 5.539 -3.440 -14.141 718 HB3 ALA 83 3HB ALA 83 4.535 -2.774 -15.428 719 H ALA 84 H ALA 84 4.717 -5.663 -12.715 720 HA ALA 84 HA ALA 84 6.827 -7.486 -13.284 721 HB1 ALA 84 1HB ALA 84 5.155 -7.266 -10.783 722 HB2 ALA 84 2HB ALA 84 6.602 -6.321 -11.132 723 HB3 ALA 84 3HB ALA 84 6.717 -8.071 -10.934 724 H SER 85 H SER 85 3.357 -7.815 -12.848 725 HA SER 85 HA SER 85 3.348 -10.662 -12.679 726 HB2 SER 85 2HB SER 85 1.106 -8.782 -13.452 727 HB3 SER 85 1HB SER 85 0.921 -10.472 -12.990 728 HG SER 85 HG SER 85 1.969 -8.399 -11.348 729 H LYS 86 H LYS 86 3.930 -8.552 -15.215 730 HA LYS 86 HA LYS 86 2.865 -10.188 -17.338 731 HB2 LYS 86 2HB LYS 86 4.934 -7.986 -17.504 732 HB3 LYS 86 1HB LYS 86 3.994 -8.645 -18.833 733 HG2 LYS 86 2HG LYS 86 2.605 -7.364 -16.523 734 HG3 LYS 86 1HG LYS 86 3.349 -6.365 -17.768 735 HD2 LYS 86 2HD LYS 86 1.070 -6.640 -18.359 736 HD3 LYS 86 1HD LYS 86 2.007 -7.651 -19.456 737 HE2 LYS 86 2HE LYS 86 1.473 -9.612 -18.060 738 HE3 LYS 86 1HE LYS 86 0.495 -8.578 -17.016 739 HZ1 LYS 86 3HZ LYS 86 -0.959 -8.101 -18.847 740 HZ2 LYS 86 1HZ LYS 86 -0.831 -9.783 -18.674 741 HZ3 LYS 86 2HZ LYS 86 0.012 -8.992 -19.916 742 H GLN 87 H GLN 87 6.187 -9.195 -16.519 743 HA GLN 87 HA GLN 87 7.140 -11.921 -16.992 744 HB2 GLN 87 2HB GLN 87 8.354 -9.508 -18.351 745 HB3 GLN 87 1HB GLN 87 8.938 -11.159 -18.458 746 HG2 GLN 87 2HG GLN 87 6.919 -11.815 -19.644 747 HG3 GLN 87 1HG GLN 87 6.286 -10.176 -19.491 748 HE21 GLN 87 1HE2 GLN 87 9.632 -10.985 -20.145 749 HE22 GLN 87 2HE2 GLN 87 9.671 -10.317 -21.741 750 H GLY 88 H GLY 88 7.888 -12.227 -14.934 751 HA2 GLY 88 2HA GLY 88 10.356 -11.103 -14.199 752 HA3 GLY 88 1HA GLY 88 9.078 -10.274 -13.315 753 H ASN 89 H ASN 89 10.938 -13.158 -13.629 754 HA ASN 89 HA ASN 89 9.292 -14.550 -11.654 755 HB2 ASN 89 2HB ASN 89 9.960 -15.874 -13.573 756 HB3 ASN 89 1HB ASN 89 11.657 -15.484 -13.297 757 HD21 ASN 89 1HD2 ASN 89 12.253 -17.623 -13.105 758 HD22 ASN 89 2HD2 ASN 89 11.844 -18.589 -11.731 759 H ALA 90 H ALA 90 9.682 -13.820 -9.686 760 HA ALA 90 HA ALA 90 10.653 -13.815 -7.646 761 HB1 ALA 90 1HB ALA 90 11.681 -15.939 -8.303 762 HB2 ALA 90 2HB ALA 90 12.716 -14.993 -7.233 763 HB3 ALA 90 3HB ALA 90 13.058 -15.056 -8.962 764 H GLU 91 H GLU 91 13.154 -12.918 -10.048 765 HA GLU 91 HA GLU 91 14.669 -11.347 -8.306 766 HB2 GLU 91 2HB GLU 91 14.398 -11.137 -11.311 767 HB3 GLU 91 1HB GLU 91 15.699 -10.464 -10.353 768 HG2 GLU 91 2HG GLU 91 15.069 -13.381 -10.691 769 HG3 GLU 91 1HG GLU 91 16.403 -12.504 -11.438 770 H GLN 92 H GLN 92 12.301 -10.357 -10.747 771 HA GLN 92 HA GLN 92 12.410 -7.596 -10.168 772 HB2 GLN 92 2HB GLN 92 10.151 -9.177 -11.409 773 HB3 GLN 92 1HB GLN 92 10.369 -7.437 -11.512 774 HG2 GLN 92 2HG GLN 92 12.291 -9.467 -12.625 775 HG3 GLN 92 1HG GLN 92 11.030 -8.669 -13.557 776 HE21 GLN 92 1HE2 GLN 92 12.493 -7.731 -14.958 777 HE22 GLN 92 2HE2 GLN 92 13.534 -6.427 -14.482 778 H PHE 93 H PHE 93 10.589 -10.242 -8.855 779 HA PHE 93 HA PHE 93 8.515 -8.680 -7.687 780 HB2 PHE 93 2HB PHE 93 8.289 -11.087 -8.368 781 HB3 PHE 93 1HB PHE 93 9.322 -11.513 -7.010 782 HD1 PHE 93 2HD PHE 93 6.301 -9.405 -7.608 783 HD2 PHE 93 1HD PHE 93 8.242 -12.290 -5.158 784 HE1 PHE 93 2HE PHE 93 4.329 -9.478 -6.139 785 HE2 PHE 93 1HE PHE 93 6.275 -12.369 -3.685 786 HZ PHE 93 HZ PHE 93 4.315 -10.960 -4.175 787 H ALA 94 H ALA 94 11.453 -10.237 -6.464 788 HA ALA 94 HA ALA 94 11.094 -9.676 -3.747 789 HB1 ALA 94 1HB ALA 94 13.476 -10.070 -3.513 790 HB2 ALA 94 2HB ALA 94 13.702 -9.873 -5.254 791 HB3 ALA 94 3HB ALA 94 12.775 -11.241 -4.632 792 H SER 95 H SER 95 12.565 -7.756 -6.330 793 HA SER 95 HA SER 95 13.452 -5.660 -4.634 794 HB2 SER 95 2HB SER 95 12.883 -5.635 -7.610 795 HB3 SER 95 1HB SER 95 13.854 -4.472 -6.728 796 HG SER 95 HG SER 95 14.769 -6.909 -6.181 797 H LEU 96 H LEU 96 10.577 -6.231 -6.577 798 HA LEU 96 HA LEU 96 9.372 -3.722 -6.355 799 HB2 LEU 96 2HB LEU 96 8.662 -5.400 -7.950 800 HB3 LEU 96 1HB LEU 96 8.184 -6.476 -6.659 801 HG LEU 96 HG LEU 96 6.340 -5.039 -6.057 802 HD11 LEU 96 1HD1 LEU 96 5.832 -3.013 -7.333 803 HD12 LEU 96 2HD1 LEU 96 7.333 -3.202 -8.237 804 HD13 LEU 96 3HD1 LEU 96 7.383 -2.879 -6.506 805 HD21 LEU 96 3HD2 LEU 96 5.018 -5.214 -8.101 806 HD22 LEU 96 1HD2 LEU 96 5.987 -6.660 -7.842 807 HD23 LEU 96 2HD2 LEU 96 6.486 -5.467 -9.041 808 H VAL 97 H VAL 97 8.986 -6.638 -4.371 809 HA VAL 97 HA VAL 97 7.048 -5.591 -2.622 810 HB VAL 97 HB VAL 97 9.087 -7.768 -2.125 811 HG11 VAL 97 1HG1 VAL 97 7.613 -8.513 -0.326 812 HG12 VAL 97 2HG1 VAL 97 6.566 -7.118 -0.600 813 HG13 VAL 97 3HG1 VAL 97 8.216 -6.884 -0.020 814 HG21 VAL 97 3HG2 VAL 97 7.200 -9.277 -2.615 815 HG22 VAL 97 1HG2 VAL 97 7.624 -8.261 -3.995 816 HG23 VAL 97 2HG2 VAL 97 6.209 -7.875 -3.017 817 H GLN 98 H GLN 98 10.590 -5.581 -2.458 818 HA GLN 98 HA GLN 98 10.784 -4.619 0.190 819 HB2 GLN 98 2HB GLN 98 12.638 -5.704 -1.093 820 HB3 GLN 98 1HB GLN 98 12.786 -4.229 -2.041 821 HG2 GLN 98 2HG GLN 98 13.298 -2.977 0.002 822 HG3 GLN 98 1HG GLN 98 13.185 -4.470 0.933 823 HE21 GLN 98 1HE2 GLN 98 15.282 -4.374 1.632 824 HE22 GLN 98 2HE2 GLN 98 16.636 -4.643 0.589 825 H GLN 99 H GLN 99 10.842 -2.942 -2.948 826 HA GLN 99 HA GLN 99 11.233 -0.354 -1.876 827 HB2 GLN 99 2HB GLN 99 10.023 -1.250 -4.492 828 HB3 GLN 99 1HB GLN 99 10.341 0.433 -4.093 829 HG2 GLN 99 2HG GLN 99 12.736 -0.161 -3.797 830 HG3 GLN 99 1HG GLN 99 12.353 -1.780 -4.386 831 HE21 GLN 99 1HE2 GLN 99 12.596 1.586 -5.219 832 HE22 GLN 99 2HE2 GLN 99 12.595 1.368 -6.934 833 H HIS 100 H HIS 100 8.323 -2.132 -2.801 834 HA HIS 100 HA HIS 100 6.447 -0.106 -2.371 835 HB2 HIS 100 2HB HIS 100 6.140 -2.423 -3.438 836 HB3 HIS 100 1HB HIS 100 5.947 -3.029 -1.796 837 HD1 HIS 100 1HD HIS 100 3.620 -3.364 -3.707 838 HD2 HIS 100 2HD HIS 100 4.117 -0.018 -1.293 839 HE1 HIS 100 1HE HIS 100 1.326 -2.357 -3.415 840 H LEU 101 H LEU 101 7.920 -2.423 -0.161 841 HA LEU 101 HA LEU 101 6.370 -1.944 2.120 842 HB2 LEU 101 2HB LEU 101 8.210 -3.711 1.604 843 HB3 LEU 101 1HB LEU 101 9.316 -2.513 2.238 844 HG LEU 101 HG LEU 101 6.989 -3.606 3.820 845 HD11 LEU 101 1HD1 LEU 101 8.583 -5.069 4.922 846 HD12 LEU 101 2HD1 LEU 101 9.873 -4.481 3.871 847 HD13 LEU 101 3HD1 LEU 101 8.536 -5.408 3.189 848 HD21 LEU 101 3HD2 LEU 101 8.274 -2.761 5.738 849 HD22 LEU 101 1HD2 LEU 101 7.833 -1.469 4.623 850 HD23 LEU 101 2HD2 LEU 101 9.477 -2.103 4.630 851 H GLN 102 H GLN 102 9.396 -0.410 1.041 852 HA GLN 102 HA GLN 102 9.667 1.355 3.192 853 HB2 GLN 102 2HB GLN 102 10.667 1.431 0.346 854 HB3 GLN 102 1HB GLN 102 11.202 2.501 1.610 855 HG2 GLN 102 2HG GLN 102 11.420 -0.460 1.887 856 HG3 GLN 102 1HG GLN 102 12.653 0.490 1.063 857 HE21 GLN 102 1HE2 GLN 102 10.910 1.767 3.814 858 HE22 GLN 102 2HE2 GLN 102 12.237 1.711 4.923 859 H ASP 103 H ASP 103 8.104 1.644 0.036 860 HA ASP 103 HA ASP 103 7.485 4.374 0.126 861 HB2 ASP 103 2HB ASP 103 6.365 2.016 -1.326 862 HB3 ASP 103 1HB ASP 103 5.488 3.540 -1.377 863 H GLU 104 H GLU 104 5.517 1.563 1.122 864 HA GLU 104 HA GLU 104 3.298 3.092 1.965 865 HB2 GLU 104 2HB GLU 104 4.187 0.357 2.894 866 HB3 GLU 104 1HB GLU 104 2.619 1.076 3.232 867 HG2 GLU 104 2HG GLU 104 3.713 0.322 0.532 868 HG3 GLU 104 1HG GLU 104 2.435 -0.502 1.424 869 H GLN 105 H GLN 105 6.184 1.981 3.659 870 HA GLN 105 HA GLN 105 5.416 2.746 6.250 871 HB2 GLN 105 2HB GLN 105 7.370 1.308 5.722 872 HB3 GLN 105 1HB GLN 105 8.205 2.715 5.075 873 HG2 GLN 105 2HG GLN 105 8.141 3.773 7.269 874 HG3 GLN 105 1HG GLN 105 7.288 2.372 7.923 875 HE21 GLN 105 1HE2 GLN 105 10.303 3.605 6.757 876 HE22 GLN 105 2HE2 GLN 105 11.295 2.309 7.319 877 H ARG 106 H ARG 106 6.765 4.552 3.567 878 HA ARG 106 HA ARG 106 7.342 6.942 4.985 879 HB2 ARG 106 2HB ARG 106 8.273 6.461 2.763 880 HB3 ARG 106 1HB ARG 106 6.663 6.538 2.061 881 HG2 ARG 106 2HG ARG 106 7.506 8.609 1.543 882 HG3 ARG 106 1HG ARG 106 6.636 8.945 3.039 883 HD2 ARG 106 2HD ARG 106 9.587 8.353 2.887 884 HD3 ARG 106 1HD ARG 106 8.909 9.976 2.887 885 HE ARG 106 HE ARG 106 8.301 8.205 5.141 886 HH11 ARG 106 1HH1 ARG 106 9.904 11.018 3.852 887 HH12 ARG 106 2HH1 ARG 106 10.372 11.637 5.405 888 HH21 ARG 106 1HH2 ARG 106 8.911 9.013 7.219 889 HH22 ARG 106 2HH2 ARG 106 9.803 10.492 7.317 890 H HIS 107 H HIS 107 4.472 5.775 3.254 891 HA HIS 107 HA HIS 107 2.892 8.089 3.499 892 HB2 HIS 107 2HB HIS 107 2.021 5.182 3.451 893 HB3 HIS 107 1HB HIS 107 0.937 6.555 3.266 894 HD2 HIS 107 2HD HIS 107 3.238 8.028 1.147 895 HE1 HIS 107 1HE HIS 107 1.870 4.849 -1.291 896 HE2 HIS 107 2HE HIS 107 2.947 7.141 -1.272 897 H VAL 108 H VAL 108 3.113 5.229 5.601 898 HA VAL 108 HA VAL 108 1.373 6.082 7.619 899 HB VAL 108 HB VAL 108 3.855 4.366 7.890 900 HG11 VAL 108 1HG1 VAL 108 3.087 5.236 10.056 901 HG12 VAL 108 2HG1 VAL 108 2.835 3.496 9.921 902 HG13 VAL 108 3HG1 VAL 108 1.475 4.599 9.730 903 HG21 VAL 108 3HG2 VAL 108 2.308 2.479 7.717 904 HG22 VAL 108 1HG2 VAL 108 2.266 3.483 6.267 905 HG23 VAL 108 2HG2 VAL 108 0.970 3.600 7.457 906 H GLU 109 H GLU 109 4.838 6.572 7.207 907 HA GLU 109 HA GLU 109 5.425 7.952 9.550 908 HB2 GLU 109 2HB GLU 109 6.624 7.630 6.882 909 HB3 GLU 109 1HB GLU 109 7.085 9.109 7.709 910 HG2 GLU 109 2HG GLU 109 7.278 6.431 9.038 911 HG3 GLU 109 1HG GLU 109 8.566 7.067 8.016 912 H GLU 110 H GLU 110 4.256 9.187 6.437 913 HA GLU 110 HA GLU 110 4.324 11.906 7.051 914 HB2 GLU 110 2HB GLU 110 2.733 10.224 5.152 915 HB3 GLU 110 1HB GLU 110 2.425 11.940 5.290 916 HG2 GLU 110 2HG GLU 110 5.075 10.706 4.600 917 HG3 GLU 110 1HG GLU 110 3.937 11.394 3.443 918 H ILE 111 H ILE 111 1.752 9.502 7.458 919 HA ILE 111 HA ILE 111 -0.224 11.276 8.396 920 HB ILE 111 HB ILE 111 0.071 8.323 8.959 921 HG12 ILE 111 2HG1 ILE 111 -1.495 9.763 6.803 922 HG13 ILE 111 1HG1 ILE 111 0.014 8.893 6.549 923 HG21 ILE 111 1HG2 ILE 111 -2.335 10.131 9.198 924 HG22 ILE 111 2HG2 ILE 111 -1.473 9.338 10.519 925 HG23 ILE 111 3HG2 ILE 111 -2.361 8.373 9.341 926 HD11 ILE 111 3HD1 ILE 111 -2.592 7.695 7.458 927 HD12 ILE 111 1HD1 ILE 111 -1.081 6.815 7.224 928 HD13 ILE 111 2HD1 ILE 111 -1.884 7.571 5.847 929 H GLU 112 H GLU 112 2.110 9.237 10.159 930 HA GLU 112 HA GLU 112 1.140 9.849 12.728 931 HB2 GLU 112 2HB GLU 112 3.826 8.840 11.800 932 HB3 GLU 112 1HB GLU 112 3.321 8.923 13.471 933 HG2 GLU 112 2HG GLU 112 1.443 7.408 12.946 934 HG3 GLU 112 1HG GLU 112 2.079 7.262 11.307 935 H LYS 113 H LYS 113 3.327 11.504 10.586 936 HA LYS 113 HA LYS 113 4.392 13.197 12.676 937 HB2 LYS 113 2HB LYS 113 4.696 13.243 9.677 938 HB3 LYS 113 1HB LYS 113 5.439 14.428 10.742 939 HG2 LYS 113 2HG LYS 113 6.619 12.572 11.888 940 HG3 LYS 113 1HG LYS 113 5.962 11.467 10.684 941 HD2 LYS 113 2HD LYS 113 7.720 13.846 10.083 942 HD3 LYS 113 1HD LYS 113 8.269 12.173 10.171 943 HE2 LYS 113 2HE LYS 113 7.971 12.439 7.906 944 HE3 LYS 113 1HE LYS 113 6.421 11.759 8.389 945 HZ1 LYS 113 3HZ LYS 113 6.102 13.596 6.892 946 HZ2 LYS 113 1HZ LYS 113 6.999 14.634 7.892 947 HZ3 LYS 113 2HZ LYS 113 5.511 14.022 8.424 948 H LYS 114 H LYS 114 1.540 13.223 12.389 949 HA LYS 114 HA LYS 114 -0.139 14.721 12.665 950 HB2 LYS 114 2HB LYS 114 1.936 16.871 12.193 951 HB3 LYS 114 1HB LYS 114 0.324 17.111 12.848 952 HG2 LYS 114 2HG LYS 114 0.905 15.847 14.829 953 HG3 LYS 114 1HG LYS 114 2.497 15.485 14.160 954 HD2 LYS 114 2HD LYS 114 2.975 17.917 14.101 955 HD3 LYS 114 1HD LYS 114 1.420 18.213 14.877 956 HE2 LYS 114 2HE LYS 114 3.687 16.592 16.040 957 HE3 LYS 114 1HE LYS 114 3.288 18.252 16.479 958 HZ1 LYS 114 3HZ LYS 114 1.077 17.417 17.185 959 HZ2 LYS 114 1HZ LYS 114 2.364 16.797 18.098 960 HZ3 LYS 114 2HZ LYS 114 1.627 15.832 16.918 961 H ASN 115 H ASN 115 1.375 14.100 9.894 962 HA ASN 115 HA ASN 115 0.987 14.373 7.687 963 HB2 ASN 115 2HB ASN 115 -1.314 13.730 8.315 964 HB3 ASN 115 1HB ASN 115 -1.705 15.422 8.592 965 HD21 ASN 115 1HD2 ASN 115 0.357 14.384 5.976 966 HD22 ASN 115 2HD2 ASN 115 -0.762 14.743 4.710 Start of MODEL 6 1 H1 MET 1 H1 MET 1 -16.065 1.748 12.968 2 H2 MET 1 H2 MET 1 -16.460 3.229 13.691 3 H3 MET 1 H3 MET 1 -14.835 2.824 13.417 4 HA MET 1 HA MET 1 -15.186 2.871 11.049 5 HB2 MET 1 2HB MET 1 -17.975 3.771 11.802 6 HB3 MET 1 1HB MET 1 -17.302 3.827 10.180 7 HG2 MET 1 2HG MET 1 -17.055 1.382 10.220 8 HG3 MET 1 1HG MET 1 -17.801 1.350 11.816 9 HE1 MET 1 2HE MET 1 -19.969 3.669 11.490 10 HE2 MET 1 3HE MET 1 -20.357 2.135 12.262 11 HE3 MET 1 1HE MET 1 -21.395 2.764 10.984 12 H ASP 2 H ASP 2 -13.546 4.343 11.500 13 HA ASP 2 HA ASP 2 -14.462 7.108 11.298 14 HB2 ASP 2 2HB ASP 2 -12.837 7.933 12.872 15 HB3 ASP 2 1HB ASP 2 -13.787 6.689 13.677 16 H GLU 3 H GLU 3 -12.972 8.474 10.202 17 HA GLU 3 HA GLU 3 -11.998 7.083 7.925 18 HB2 GLU 3 2HB GLU 3 -11.732 10.000 8.663 19 HB3 GLU 3 1HB GLU 3 -11.512 9.313 7.057 20 HG2 GLU 3 2HG GLU 3 -13.774 8.849 6.803 21 HG3 GLU 3 1HG GLU 3 -14.085 8.942 8.535 22 H LEU 4 H LEU 4 -10.477 7.877 10.843 23 HA LEU 4 HA LEU 4 -7.826 8.119 9.669 24 HB2 LEU 4 2HB LEU 4 -8.408 9.509 11.600 25 HB3 LEU 4 1HB LEU 4 -8.721 8.074 12.554 26 HG LEU 4 HG LEU 4 -6.328 7.443 12.335 27 HD11 LEU 4 1HD1 LEU 4 -6.097 10.145 11.021 28 HD12 LEU 4 2HD1 LEU 4 -5.781 8.578 10.275 29 HD13 LEU 4 3HD1 LEU 4 -4.739 9.165 11.571 30 HD21 LEU 4 3HD2 LEU 4 -7.114 8.630 14.308 31 HD22 LEU 4 1HD2 LEU 4 -6.846 10.175 13.500 32 HD23 LEU 4 2HD2 LEU 4 -5.477 9.132 13.885 33 H ARG 5 H ARG 5 -9.492 5.960 11.955 34 HA ARG 5 HA ARG 5 -7.369 4.129 12.210 35 HB2 ARG 5 2HB ARG 5 -10.123 4.352 13.086 36 HB3 ARG 5 1HB ARG 5 -9.706 2.693 12.690 37 HG2 ARG 5 2HG ARG 5 -9.371 3.288 15.070 38 HG3 ARG 5 1HG ARG 5 -7.921 2.685 14.269 39 HD2 ARG 5 2HD ARG 5 -7.362 4.570 15.665 40 HD3 ARG 5 1HD ARG 5 -7.148 4.997 13.970 41 HE ARG 5 HE ARG 5 -9.412 6.115 14.209 42 HH11 ARG 5 1HH1 ARG 5 -7.274 5.634 16.933 43 HH12 ARG 5 2HH1 ARG 5 -7.766 7.086 17.755 44 HH21 ARG 5 1HH2 ARG 5 -10.040 8.069 15.269 45 HH22 ARG 5 2HH2 ARG 5 -9.319 8.478 16.798 46 H GLU 6 H GLU 6 -10.248 4.087 10.124 47 HA GLU 6 HA GLU 6 -9.833 1.492 9.105 48 HB2 GLU 6 2HB GLU 6 -11.222 3.779 7.700 49 HB3 GLU 6 1HB GLU 6 -11.456 2.064 7.410 50 HG2 GLU 6 2HG GLU 6 -12.247 3.620 9.855 51 HG3 GLU 6 1HG GLU 6 -13.313 2.897 8.655 52 H LEU 7 H LEU 7 -8.756 4.662 8.066 53 HA LEU 7 HA LEU 7 -7.609 3.839 5.599 54 HB2 LEU 7 2HB LEU 7 -8.273 6.186 6.286 55 HB3 LEU 7 1HB LEU 7 -6.824 6.223 7.273 56 HG LEU 7 HG LEU 7 -5.471 5.858 5.213 57 HD11 LEU 7 1HD1 LEU 7 -8.126 6.247 3.843 58 HD12 LEU 7 2HD1 LEU 7 -7.163 4.768 3.854 59 HD13 LEU 7 3HD1 LEU 7 -6.554 6.214 3.046 60 HD21 LEU 7 3HD2 LEU 7 -7.295 8.259 5.204 61 HD22 LEU 7 1HD2 LEU 7 -5.756 8.134 4.350 62 HD23 LEU 7 2HD2 LEU 7 -5.792 8.098 6.112 63 H LEU 8 H LEU 8 -6.274 4.502 8.808 64 HA LEU 8 HA LEU 8 -3.569 4.108 8.152 65 HB2 LEU 8 2HB LEU 8 -4.505 5.260 10.172 66 HB3 LEU 8 1HB LEU 8 -4.865 3.684 10.836 67 HG LEU 8 HG LEU 8 -2.476 3.122 10.839 68 HD11 LEU 8 1HD1 LEU 8 -1.764 4.479 8.946 69 HD12 LEU 8 2HD1 LEU 8 -0.816 4.865 10.379 70 HD13 LEU 8 3HD1 LEU 8 -2.103 5.948 9.857 71 HD21 LEU 8 3HD2 LEU 8 -3.500 4.147 12.815 72 HD22 LEU 8 1HD2 LEU 8 -3.095 5.747 12.194 73 HD23 LEU 8 2HD2 LEU 8 -1.810 4.623 12.640 74 H LYS 9 H LYS 9 -5.976 1.911 9.546 75 HA LYS 9 HA LYS 9 -4.208 -0.242 9.988 76 HB2 LYS 9 2HB LYS 9 -6.112 -1.597 10.383 77 HB3 LYS 9 1HB LYS 9 -6.545 0.008 10.945 78 HG2 LYS 9 2HG LYS 9 -7.800 0.392 8.879 79 HG3 LYS 9 1HG LYS 9 -7.366 -1.225 8.326 80 HD2 LYS 9 2HD LYS 9 -9.569 -1.352 9.221 81 HD3 LYS 9 1HD LYS 9 -8.488 -2.127 10.379 82 HE2 LYS 9 2HE LYS 9 -8.490 -0.153 11.766 83 HE3 LYS 9 1HE LYS 9 -9.460 0.719 10.581 84 HZ1 LYS 9 3HZ LYS 9 -11.110 -1.225 10.972 85 HZ2 LYS 9 1HZ LYS 9 -11.030 0.052 12.085 86 HZ3 LYS 9 2HZ LYS 9 -10.262 -1.419 12.431 87 H ALA 10 H ALA 10 -6.033 0.747 7.152 88 HA ALA 10 HA ALA 10 -5.668 -1.621 5.647 89 HB1 ALA 10 1HB ALA 10 -6.309 -0.288 3.717 90 HB2 ALA 10 2HB ALA 10 -6.063 1.197 4.640 91 HB3 ALA 10 3HB ALA 10 -7.353 0.081 5.092 92 H GLU 11 H GLU 11 -3.864 1.421 5.796 93 HA GLU 11 HA GLU 11 -1.919 0.761 3.865 94 HB2 GLU 11 2HB GLU 11 -2.391 3.054 4.720 95 HB3 GLU 11 1HB GLU 11 -1.640 2.610 6.246 96 HG2 GLU 11 2HG GLU 11 -0.078 3.860 4.957 97 HG3 GLU 11 1HG GLU 11 0.471 2.187 5.034 98 H GLN 12 H GLN 12 -1.910 0.475 7.411 99 HA GLN 12 HA GLN 12 0.658 -0.670 7.630 100 HB2 GLN 12 2HB GLN 12 -1.751 -0.655 9.432 101 HB3 GLN 12 1HB GLN 12 -0.283 -1.515 9.872 102 HG2 GLN 12 2HG GLN 12 0.983 0.570 9.698 103 HG3 GLN 12 1HG GLN 12 -0.496 1.426 9.276 104 HE21 GLN 12 1HE2 GLN 12 -0.210 2.782 11.071 105 HE22 GLN 12 2HE2 GLN 12 -0.568 2.249 12.673 106 H GLN 13 H GLN 13 -2.475 -2.047 6.943 107 HA GLN 13 HA GLN 13 -1.900 -4.755 7.432 108 HB2 GLN 13 2HB GLN 13 -4.173 -3.849 7.070 109 HB3 GLN 13 1HB GLN 13 -3.776 -3.557 5.386 110 HG2 GLN 13 2HG GLN 13 -3.440 -5.979 5.076 111 HG3 GLN 13 1HG GLN 13 -3.937 -6.235 6.749 112 HE21 GLN 13 1HE2 GLN 13 -4.973 -5.361 3.552 113 HE22 GLN 13 2HE2 GLN 13 -6.671 -5.496 3.849 114 H GLY 14 H GLY 14 -1.586 -2.766 4.546 115 HA2 GLY 14 2HA GLY 14 -0.715 -4.814 2.809 116 HA3 GLY 14 1HA GLY 14 -0.442 -3.098 2.572 117 H ILE 15 H ILE 15 1.070 -2.563 4.871 118 HA ILE 15 HA ILE 15 3.662 -3.252 4.082 119 HB ILE 15 HB ILE 15 2.731 -2.426 6.838 120 HG12 ILE 15 2HG1 ILE 15 3.773 -0.767 4.531 121 HG13 ILE 15 1HG1 ILE 15 2.102 -0.818 5.081 122 HG21 ILE 15 1HG2 ILE 15 5.481 -2.331 5.598 123 HG22 ILE 15 2HG2 ILE 15 4.957 -3.404 6.896 124 HG23 ILE 15 3HG2 ILE 15 5.039 -1.665 7.169 125 HD11 ILE 15 3HD1 ILE 15 2.789 0.131 7.230 126 HD12 ILE 15 1HD1 ILE 15 3.223 1.177 5.875 127 HD13 ILE 15 2HD1 ILE 15 4.459 0.191 6.661 128 H LYS 16 H LYS 16 1.561 -4.651 6.561 129 HA LYS 16 HA LYS 16 3.334 -6.553 7.601 130 HB2 LYS 16 2HB LYS 16 1.045 -5.851 8.468 131 HB3 LYS 16 1HB LYS 16 0.364 -6.942 7.277 132 HG2 LYS 16 2HG LYS 16 1.428 -8.831 8.313 133 HG3 LYS 16 1HG LYS 16 2.281 -7.773 9.441 134 HD2 LYS 16 2HD LYS 16 0.117 -7.043 10.362 135 HD3 LYS 16 1HD LYS 16 -0.710 -8.148 9.261 136 HE2 LYS 16 2HE LYS 16 0.366 -10.048 10.310 137 HE3 LYS 16 1HE LYS 16 1.301 -8.978 11.352 138 HZ1 LYS 16 3HZ LYS 16 -0.655 -9.972 12.449 139 HZ2 LYS 16 1HZ LYS 16 -1.666 -9.152 11.364 140 HZ3 LYS 16 2HZ LYS 16 -0.696 -8.277 12.444 141 H ILE 17 H ILE 17 0.981 -6.760 4.979 142 HA ILE 17 HA ILE 17 1.487 -9.412 4.187 143 HB ILE 17 HB ILE 17 0.539 -7.044 2.548 144 HG12 ILE 17 2HG1 ILE 17 -0.985 -9.306 3.857 145 HG13 ILE 17 1HG1 ILE 17 -0.894 -7.658 4.465 146 HG21 ILE 17 1HG2 ILE 17 0.446 -9.989 1.873 147 HG22 ILE 17 2HG2 ILE 17 1.434 -8.767 1.074 148 HG23 ILE 17 3HG2 ILE 17 -0.323 -8.698 0.950 149 HD11 ILE 17 3HD1 ILE 17 -2.993 -8.032 3.331 150 HD12 ILE 17 1HD1 ILE 17 -2.144 -8.536 1.871 151 HD13 ILE 17 2HD1 ILE 17 -2.022 -6.868 2.432 152 H LEU 18 H LEU 18 2.934 -6.349 3.089 153 HA LEU 18 HA LEU 18 4.580 -7.428 1.099 154 HB2 LEU 18 2HB LEU 18 4.976 -4.989 2.825 155 HB3 LEU 18 1HB LEU 18 5.944 -5.365 1.414 156 HG LEU 18 HG LEU 18 2.970 -4.845 1.399 157 HD11 LEU 18 1HD1 LEU 18 3.548 -2.769 0.258 158 HD12 LEU 18 2HD1 LEU 18 5.263 -3.132 0.456 159 HD13 LEU 18 3HD1 LEU 18 4.256 -2.835 1.872 160 HD21 LEU 18 3HD2 LEU 18 4.912 -5.321 -0.859 161 HD22 LEU 18 1HD2 LEU 18 3.231 -4.822 -1.046 162 HD23 LEU 18 2HD2 LEU 18 3.611 -6.398 -0.349 163 H LYS 19 H LYS 19 5.202 -6.903 4.547 164 HA LYS 19 HA LYS 19 7.864 -7.763 4.574 165 HB2 LYS 19 2HB LYS 19 5.701 -7.784 6.677 166 HB3 LYS 19 1HB LYS 19 7.368 -8.194 6.999 167 HG2 LYS 19 2HG LYS 19 8.098 -5.991 6.409 168 HG3 LYS 19 1HG LYS 19 6.467 -5.557 5.892 169 HD2 LYS 19 2HD LYS 19 6.905 -4.640 8.086 170 HD3 LYS 19 1HD LYS 19 5.675 -5.899 8.202 171 HE2 LYS 19 2HE LYS 19 7.419 -7.491 8.925 172 HE3 LYS 19 1HE LYS 19 8.604 -6.187 8.864 173 HZ1 LYS 19 3HZ LYS 19 6.203 -6.261 10.615 174 HZ2 LYS 19 1HZ LYS 19 7.344 -5.006 10.554 175 HZ3 LYS 19 2HZ LYS 19 7.802 -6.542 11.112 176 H GLU 20 H GLU 20 4.799 -9.491 4.949 177 HA GLU 20 HA GLU 20 5.820 -12.023 5.545 178 HB2 GLU 20 2HB GLU 20 3.328 -10.796 5.026 179 HB3 GLU 20 1HB GLU 20 3.443 -12.161 3.936 180 HG2 GLU 20 2HG GLU 20 3.856 -12.315 6.904 181 HG3 GLU 20 1HG GLU 20 2.337 -12.652 6.088 182 H VAL 21 H VAL 21 4.917 -10.552 2.440 183 HA VAL 21 HA VAL 21 5.565 -12.821 0.868 184 HB VAL 21 HB VAL 21 5.391 -9.910 0.035 185 HG11 VAL 21 1HG1 VAL 21 5.012 -10.779 -2.224 186 HG12 VAL 21 2HG1 VAL 21 5.291 -12.419 -1.638 187 HG13 VAL 21 3HG1 VAL 21 6.598 -11.236 -1.607 188 HG21 VAL 21 3HG2 VAL 21 3.330 -10.758 1.067 189 HG22 VAL 21 1HG2 VAL 21 3.307 -12.092 -0.089 190 HG23 VAL 21 2HG2 VAL 21 3.119 -10.431 -0.654 191 H LEU 22 H LEU 22 7.422 -9.927 1.774 192 HA LEU 22 HA LEU 22 9.663 -10.382 0.145 193 HB2 LEU 22 2HB LEU 22 9.240 -8.293 1.411 194 HB3 LEU 22 1HB LEU 22 9.588 -9.146 2.903 195 HG LEU 22 HG LEU 22 11.901 -9.537 2.120 196 HD11 LEU 22 1HD1 LEU 22 11.482 -9.485 -0.282 197 HD12 LEU 22 2HD1 LEU 22 12.737 -8.330 0.173 198 HD13 LEU 22 3HD1 LEU 22 11.104 -7.764 -0.186 199 HD21 LEU 22 3HD2 LEU 22 11.387 -7.618 3.538 200 HD22 LEU 22 1HD2 LEU 22 11.044 -6.644 2.110 201 HD23 LEU 22 2HD2 LEU 22 12.678 -7.241 2.399 202 H LYS 23 H LYS 23 8.866 -11.494 3.383 203 HA LYS 23 HA LYS 23 11.188 -12.943 3.992 204 HB2 LYS 23 2HB LYS 23 9.159 -12.373 5.450 205 HB3 LYS 23 1HB LYS 23 8.381 -13.759 4.720 206 HG2 LYS 23 2HG LYS 23 10.428 -15.081 5.525 207 HG3 LYS 23 1HG LYS 23 10.722 -13.690 6.573 208 HD2 LYS 23 2HD LYS 23 9.435 -15.224 7.842 209 HD3 LYS 23 1HD LYS 23 8.339 -13.928 7.358 210 HE2 LYS 23 2HE LYS 23 7.719 -15.403 5.380 211 HE3 LYS 23 1HE LYS 23 8.559 -16.702 6.221 212 HZ1 LYS 23 3HZ LYS 23 6.998 -15.955 8.171 213 HZ2 LYS 23 1HZ LYS 23 6.435 -17.006 6.959 214 HZ3 LYS 23 2HZ LYS 23 6.044 -15.355 6.902 215 H LYS 24 H LYS 24 8.161 -13.900 2.522 216 HA LYS 24 HA LYS 24 8.842 -16.636 2.167 217 HB2 LYS 24 2HB LYS 24 6.635 -14.957 0.968 218 HB3 LYS 24 1HB LYS 24 6.696 -16.708 0.929 219 HG2 LYS 24 2HG LYS 24 6.635 -16.772 3.378 220 HG3 LYS 24 1HG LYS 24 6.589 -15.012 3.413 221 HD2 LYS 24 2HD LYS 24 4.365 -15.538 3.674 222 HD3 LYS 24 1HD LYS 24 4.466 -15.321 1.926 223 HE2 LYS 24 2HE LYS 24 4.720 -17.743 1.653 224 HE3 LYS 24 1HE LYS 24 4.596 -17.938 3.402 225 HZ1 LYS 24 3HZ LYS 24 2.519 -18.320 2.021 226 HZ2 LYS 24 1HZ LYS 24 2.454 -16.637 1.842 227 HZ3 LYS 24 2HZ LYS 24 2.365 -17.321 3.388 228 H ALA 25 H ALA 25 9.320 -13.806 0.224 229 HA ALA 25 HA ALA 25 9.641 -15.090 -2.288 230 HB1 ALA 25 1HB ALA 25 9.191 -12.695 -2.094 231 HB2 ALA 25 2HB ALA 25 10.662 -13.000 -3.017 232 HB3 ALA 25 3HB ALA 25 10.769 -12.458 -1.342 233 H LYS 26 H LYS 26 11.718 -14.646 0.453 234 HA LYS 26 HA LYS 26 14.209 -15.025 -0.824 235 HB2 LYS 26 2HB LYS 26 13.376 -15.668 2.011 236 HB3 LYS 26 1HB LYS 26 15.035 -15.671 1.430 237 HG2 LYS 26 2HG LYS 26 14.809 -13.269 0.889 238 HG3 LYS 26 1HG LYS 26 13.189 -13.300 1.592 239 HD2 LYS 26 2HD LYS 26 15.735 -14.007 3.050 240 HD3 LYS 26 1HD LYS 26 14.890 -12.463 3.173 241 HE2 LYS 26 2HE LYS 26 13.001 -13.485 4.191 242 HE3 LYS 26 1HE LYS 26 13.591 -15.102 3.817 243 HZ1 LYS 26 3HZ LYS 26 15.013 -13.232 5.635 244 HZ2 LYS 26 1HZ LYS 26 15.318 -14.884 5.402 245 HZ3 LYS 26 2HZ LYS 26 13.892 -14.392 6.171 246 H GLU 27 H GLU 27 11.719 -17.201 0.210 247 HA GLU 27 HA GLU 27 13.332 -19.575 0.036 248 HB2 GLU 27 2HB GLU 27 10.324 -19.305 0.124 249 HB3 GLU 27 1HB GLU 27 11.258 -20.761 0.457 250 HG2 GLU 27 2HG GLU 27 12.317 -19.589 2.366 251 HG3 GLU 27 1HG GLU 27 11.252 -18.216 2.065 252 H GLY 28 H GLY 28 10.738 -18.118 -1.913 253 HA2 GLY 28 2HA GLY 28 10.815 -17.886 -4.238 254 HA3 GLY 28 1HA GLY 28 12.136 -19.037 -4.288 255 H ASP 29 H ASP 29 8.844 -19.355 -2.945 256 HA ASP 29 HA ASP 29 8.438 -21.676 -4.666 257 HB2 ASP 29 2HB ASP 29 7.722 -21.770 -2.279 258 HB3 ASP 29 1HB ASP 29 6.557 -20.492 -2.604 259 H GLU 30 H GLU 30 7.478 -21.507 -6.566 260 HA GLU 30 HA GLU 30 6.845 -18.975 -7.632 261 HB2 GLU 30 2HB GLU 30 7.675 -20.857 -8.993 262 HB3 GLU 30 1HB GLU 30 6.150 -21.696 -8.750 263 HG2 GLU 30 2HG GLU 30 4.981 -19.855 -9.882 264 HG3 GLU 30 1HG GLU 30 6.535 -19.074 -10.172 265 H GLN 31 H GLN 31 4.748 -21.713 -6.774 266 HA GLN 31 HA GLN 31 2.333 -20.458 -7.531 267 HB2 GLN 31 2HB GLN 31 2.886 -22.697 -5.590 268 HB3 GLN 31 1HB GLN 31 1.274 -22.213 -6.094 269 HG2 GLN 31 2HG GLN 31 1.771 -22.802 -8.380 270 HG3 GLN 31 1HG GLN 31 3.440 -23.169 -7.951 271 HE21 GLN 31 1HE2 GLN 31 0.143 -24.230 -7.788 272 HE22 GLN 31 2HE2 GLN 31 0.472 -25.849 -7.267 273 H GLU 32 H GLU 32 4.097 -20.630 -4.483 274 HA GLU 32 HA GLU 32 2.228 -19.310 -2.859 275 HB2 GLU 32 2HB GLU 32 4.186 -20.469 -1.965 276 HB3 GLU 32 1HB GLU 32 5.248 -19.287 -2.716 277 HG2 GLU 32 2HG GLU 32 5.054 -18.817 -0.375 278 HG3 GLU 32 1HG GLU 32 4.264 -17.537 -1.294 279 H LEU 33 H LEU 33 4.936 -17.996 -4.771 280 HA LEU 33 HA LEU 33 4.515 -15.301 -4.090 281 HB2 LEU 33 2HB LEU 33 5.758 -16.518 -6.555 282 HB3 LEU 33 1HB LEU 33 5.803 -14.807 -6.178 283 HG LEU 33 HG LEU 33 7.053 -17.016 -4.540 284 HD11 LEU 33 1HD1 LEU 33 9.169 -16.010 -5.227 285 HD12 LEU 33 2HD1 LEU 33 8.293 -14.856 -6.232 286 HD13 LEU 33 3HD1 LEU 33 8.241 -16.574 -6.616 287 HD21 LEU 33 3HD2 LEU 33 6.263 -15.229 -3.102 288 HD22 LEU 33 1HD2 LEU 33 7.050 -14.029 -4.126 289 HD23 LEU 33 2HD2 LEU 33 8.023 -15.184 -3.216 290 H ALA 34 H ALA 34 3.248 -17.254 -6.761 291 HA ALA 34 HA ALA 34 1.849 -15.160 -8.057 292 HB1 ALA 34 1HB ALA 34 0.617 -16.933 -9.202 293 HB2 ALA 34 2HB ALA 34 1.248 -18.118 -8.057 294 HB3 ALA 34 3HB ALA 34 2.345 -17.286 -9.158 295 H ARG 35 H ARG 35 1.053 -17.312 -5.432 296 HA ARG 35 HA ARG 35 -1.691 -16.628 -5.185 297 HB2 ARG 35 2HB ARG 35 -0.617 -18.670 -4.245 298 HB3 ARG 35 1HB ARG 35 0.246 -17.665 -3.099 299 HG2 ARG 35 2HG ARG 35 -2.732 -17.573 -3.175 300 HG3 ARG 35 1HG ARG 35 -1.917 -18.927 -2.395 301 HD2 ARG 35 2HD ARG 35 -0.626 -17.230 -1.055 302 HD3 ARG 35 1HD ARG 35 -1.709 -16.002 -1.713 303 HE ARG 35 HE ARG 35 -2.879 -18.302 -0.328 304 HH11 ARG 35 1HH1 ARG 35 -2.099 -14.897 -0.361 305 HH12 ARG 35 2HH1 ARG 35 -3.162 -14.491 0.952 306 HH21 ARG 35 1HH2 ARG 35 -4.280 -17.798 1.409 307 HH22 ARG 35 2HH2 ARG 35 -4.401 -16.155 1.969 308 H LEU 36 H LEU 36 1.263 -15.524 -3.573 309 HA LEU 36 HA LEU 36 0.043 -13.636 -1.865 310 HB2 LEU 36 2HB LEU 36 2.857 -13.756 -2.951 311 HB3 LEU 36 1HB LEU 36 2.336 -12.702 -1.651 312 HG LEU 36 HG LEU 36 2.273 -15.720 -1.562 313 HD11 LEU 36 1HD1 LEU 36 4.156 -13.747 -0.278 314 HD12 LEU 36 2HD1 LEU 36 4.548 -14.879 -1.575 315 HD13 LEU 36 3HD1 LEU 36 4.122 -15.484 0.027 316 HD21 LEU 36 3HD2 LEU 36 0.534 -14.675 -0.196 317 HD22 LEU 36 1HD2 LEU 36 1.753 -13.665 0.583 318 HD23 LEU 36 2HD2 LEU 36 1.782 -15.414 0.808 319 H ASN 37 H ASN 37 1.263 -13.425 -5.148 320 HA ASN 37 HA ASN 37 1.367 -10.676 -5.505 321 HB2 ASN 37 2HB ASN 37 2.044 -12.557 -7.120 322 HB3 ASN 37 1HB ASN 37 0.358 -12.589 -7.614 323 HD21 ASN 37 1HD2 ASN 37 0.127 -9.631 -7.295 324 HD22 ASN 37 2HD2 ASN 37 0.939 -8.975 -8.672 325 H GLN 38 H GLN 38 -1.399 -12.876 -5.815 326 HA GLN 38 HA GLN 38 -3.256 -11.018 -6.749 327 HB2 GLN 38 2HB GLN 38 -3.586 -13.579 -5.189 328 HB3 GLN 38 1HB GLN 38 -4.888 -12.708 -5.952 329 HG2 GLN 38 2HG GLN 38 -2.550 -13.945 -7.356 330 HG3 GLN 38 1HG GLN 38 -4.189 -14.591 -7.303 331 HE21 GLN 38 1HE2 GLN 38 -2.595 -13.860 -9.601 332 HE22 GLN 38 2HE2 GLN 38 -3.493 -12.648 -10.449 333 H GLU 39 H GLU 39 -2.288 -11.981 -3.504 334 HA GLU 39 HA GLU 39 -4.403 -10.620 -2.172 335 HB2 GLU 39 2HB GLU 39 -3.084 -12.519 -1.202 336 HB3 GLU 39 1HB GLU 39 -1.723 -11.419 -1.027 337 HG2 GLU 39 2HG GLU 39 -2.907 -10.080 0.545 338 HG3 GLU 39 1HG GLU 39 -4.409 -10.949 0.241 339 H ILE 40 H ILE 40 -1.067 -9.774 -3.004 340 HA ILE 40 HA ILE 40 -0.975 -7.291 -1.676 341 HB ILE 40 HB ILE 40 0.436 -8.086 -4.233 342 HG12 ILE 40 2HG1 ILE 40 1.394 -8.177 -1.362 343 HG13 ILE 40 1HG1 ILE 40 0.950 -9.577 -2.334 344 HG21 ILE 40 1HG2 ILE 40 2.036 -6.307 -3.646 345 HG22 ILE 40 2HG2 ILE 40 0.994 -5.836 -2.301 346 HG23 ILE 40 3HG2 ILE 40 0.418 -5.679 -3.962 347 HD11 ILE 40 3HD1 ILE 40 3.383 -9.236 -2.177 348 HD12 ILE 40 1HD1 ILE 40 3.196 -7.676 -2.982 349 HD13 ILE 40 2HD1 ILE 40 2.792 -9.165 -3.836 350 H VAL 41 H VAL 41 -1.917 -8.121 -5.011 351 HA VAL 41 HA VAL 41 -2.385 -5.511 -5.907 352 HB VAL 41 HB VAL 41 -3.704 -8.080 -6.803 353 HG11 VAL 41 1HG1 VAL 41 -5.043 -6.155 -7.458 354 HG12 VAL 41 2HG1 VAL 41 -4.256 -6.874 -8.862 355 HG13 VAL 41 3HG1 VAL 41 -3.619 -5.389 -8.160 356 HG21 VAL 41 3HG2 VAL 41 -1.282 -8.089 -7.068 357 HG22 VAL 41 1HG2 VAL 41 -1.357 -6.543 -7.914 358 HG23 VAL 41 2HG2 VAL 41 -2.078 -7.982 -8.637 359 H LYS 42 H LYS 42 -4.627 -7.859 -4.435 360 HA LYS 42 HA LYS 42 -6.883 -6.164 -4.578 361 HB2 LYS 42 2HB LYS 42 -7.089 -8.588 -4.200 362 HB3 LYS 42 1HB LYS 42 -6.366 -8.397 -2.604 363 HG2 LYS 42 2HG LYS 42 -8.232 -6.964 -1.933 364 HG3 LYS 42 1HG LYS 42 -8.961 -7.169 -3.525 365 HD2 LYS 42 2HD LYS 42 -9.149 -9.578 -3.119 366 HD3 LYS 42 1HD LYS 42 -8.431 -9.360 -1.520 367 HE2 LYS 42 2HE LYS 42 -10.279 -7.879 -0.898 368 HE3 LYS 42 1HE LYS 42 -10.999 -8.109 -2.488 369 HZ1 LYS 42 3HZ LYS 42 -11.296 -10.439 -2.003 370 HZ2 LYS 42 1HZ LYS 42 -12.018 -9.505 -0.782 371 HZ3 LYS 42 2HZ LYS 42 -10.528 -10.265 -0.501 372 H ALA 43 H ALA 43 -4.405 -6.603 -2.096 373 HA ALA 43 HA ALA 43 -5.625 -5.098 -0.067 374 HB1 ALA 43 1HB ALA 43 -3.703 -6.543 0.340 375 HB2 ALA 43 2HB ALA 43 -3.389 -4.902 0.902 376 HB3 ALA 43 3HB ALA 43 -2.680 -5.466 -0.611 377 H GLU 44 H GLU 44 -3.296 -4.105 -2.568 378 HA GLU 44 HA GLU 44 -3.249 -1.378 -1.874 379 HB2 GLU 44 2HB GLU 44 -2.713 -2.790 -4.484 380 HB3 GLU 44 1HB GLU 44 -2.505 -1.059 -4.280 381 HG2 GLU 44 2HG GLU 44 -1.098 -3.103 -2.590 382 HG3 GLU 44 1HG GLU 44 -0.423 -2.423 -4.070 383 H LYS 45 H LYS 45 -5.247 -3.183 -4.181 384 HA LYS 45 HA LYS 45 -6.649 -1.025 -5.276 385 HB2 LYS 45 2HB LYS 45 -6.703 -3.309 -6.187 386 HB3 LYS 45 1HB LYS 45 -7.618 -3.847 -4.788 387 HG2 LYS 45 2HG LYS 45 -9.433 -2.293 -5.436 388 HG3 LYS 45 1HG LYS 45 -8.524 -1.904 -6.900 389 HD2 LYS 45 2HD LYS 45 -8.584 -4.296 -7.530 390 HD3 LYS 45 1HD LYS 45 -9.561 -4.627 -6.099 391 HE2 LYS 45 2HE LYS 45 -11.286 -3.091 -6.951 392 HE3 LYS 45 1HE LYS 45 -10.318 -2.828 -8.400 393 HZ1 LYS 45 3HZ LYS 45 -10.466 -5.292 -8.759 394 HZ2 LYS 45 1HZ LYS 45 -11.929 -4.447 -8.937 395 HZ3 LYS 45 2HZ LYS 45 -11.628 -5.340 -7.525 396 H GLN 46 H GLN 46 -7.370 -3.033 -2.454 397 HA GLN 46 HA GLN 46 -9.821 -1.793 -1.784 398 HB2 GLN 46 2HB GLN 46 -8.996 -4.028 -0.959 399 HB3 GLN 46 1HB GLN 46 -7.892 -3.159 0.094 400 HG2 GLN 46 2HG GLN 46 -9.852 -3.860 1.318 401 HG3 GLN 46 1HG GLN 46 -9.773 -2.103 1.223 402 HE21 GLN 46 1HE2 GLN 46 -11.954 -1.891 1.625 403 HE22 GLN 46 2HE2 GLN 46 -13.155 -2.261 0.427 404 H GLY 47 H GLY 47 -6.497 -1.317 -0.638 405 HA2 GLY 47 2HA GLY 47 -7.076 0.673 1.271 406 HA3 GLY 47 1HA GLY 47 -5.514 0.412 0.512 407 H VAL 48 H VAL 48 -6.066 0.956 -2.123 408 HA VAL 48 HA VAL 48 -5.934 3.754 -2.215 409 HB VAL 48 HB VAL 48 -6.524 1.755 -4.402 410 HG11 VAL 48 1HG1 VAL 48 -7.425 3.910 -5.058 411 HG12 VAL 48 2HG1 VAL 48 -5.972 3.544 -5.986 412 HG13 VAL 48 3HG1 VAL 48 -5.898 4.692 -4.650 413 HG21 VAL 48 3HG2 VAL 48 -4.317 1.555 -3.386 414 HG22 VAL 48 1HG2 VAL 48 -4.019 3.268 -3.676 415 HG23 VAL 48 2HG2 VAL 48 -4.198 2.161 -5.038 416 H LYS 49 H LYS 49 -8.650 1.540 -2.721 417 HA LYS 49 HA LYS 49 -10.515 3.465 -3.578 418 HB2 LYS 49 2HB LYS 49 -10.867 0.992 -3.690 419 HB3 LYS 49 1HB LYS 49 -11.104 0.985 -1.950 420 HG2 LYS 49 2HG LYS 49 -13.040 2.466 -2.207 421 HG3 LYS 49 1HG LYS 49 -12.807 2.453 -3.956 422 HD2 LYS 49 2HD LYS 49 -13.154 0.024 -3.969 423 HD3 LYS 49 1HD LYS 49 -13.418 0.060 -2.224 424 HE2 LYS 49 2HE LYS 49 -15.090 1.473 -4.304 425 HE3 LYS 49 1HE LYS 49 -15.536 -0.001 -3.448 426 HZ1 LYS 49 3HZ LYS 49 -15.201 2.718 -2.309 427 HZ2 LYS 49 1HZ LYS 49 -15.330 1.321 -1.350 428 HZ3 LYS 49 2HZ LYS 49 -16.612 1.779 -2.360 429 H VAL 50 H VAL 50 -9.714 2.260 -0.330 430 HA VAL 50 HA VAL 50 -11.589 3.790 1.095 431 HB VAL 50 HB VAL 50 -8.859 2.865 2.015 432 HG11 VAL 50 1HG1 VAL 50 -11.264 3.730 3.619 433 HG12 VAL 50 2HG1 VAL 50 -9.736 4.601 3.477 434 HG13 VAL 50 3HG1 VAL 50 -9.786 3.032 4.284 435 HG21 VAL 50 3HG2 VAL 50 -11.572 1.568 2.248 436 HG22 VAL 50 1HG2 VAL 50 -10.094 0.983 3.013 437 HG23 VAL 50 2HG2 VAL 50 -10.226 1.013 1.254 438 H TYR 51 H TYR 51 -8.239 4.551 0.150 439 HA TYR 51 HA TYR 51 -8.078 7.099 1.295 440 HB2 TYR 51 2HB TYR 51 -6.783 5.842 -1.105 441 HB3 TYR 51 1HB TYR 51 -6.563 7.558 -0.797 442 HD1 TYR 51 2HD TYR 51 -5.441 8.291 1.307 443 HD2 TYR 51 1HD TYR 51 -5.586 4.204 0.145 444 HE1 TYR 51 2HE TYR 51 -3.585 7.800 2.840 445 HE2 TYR 51 1HE TYR 51 -3.728 3.696 1.678 446 HH TYR 51 HH TYR 51 -1.839 4.897 2.767 447 H LYS 52 H LYS 52 -9.307 6.084 -1.863 448 HA LYS 52 HA LYS 52 -9.928 8.690 -2.785 449 HB2 LYS 52 2HB LYS 52 -10.761 5.938 -3.671 450 HB3 LYS 52 1HB LYS 52 -11.356 7.387 -4.468 451 HG2 LYS 52 2HG LYS 52 -9.123 8.043 -5.065 452 HG3 LYS 52 1HG LYS 52 -8.444 6.712 -4.130 453 HD2 LYS 52 2HD LYS 52 -9.477 5.106 -5.640 454 HD3 LYS 52 1HD LYS 52 -10.212 6.423 -6.559 455 HE2 LYS 52 2HE LYS 52 -8.091 7.217 -7.278 456 HE3 LYS 52 1HE LYS 52 -7.243 6.163 -6.149 457 HZ1 LYS 52 3HZ LYS 52 -8.633 5.436 -8.655 458 HZ2 LYS 52 1HZ LYS 52 -8.310 4.282 -7.457 459 HZ3 LYS 52 2HZ LYS 52 -7.032 5.115 -8.186 460 H GLU 53 H GLU 53 -11.795 6.272 -1.023 461 HA GLU 53 HA GLU 53 -14.324 7.428 -1.160 462 HB2 GLU 53 2HB GLU 53 -12.990 5.957 1.122 463 HB3 GLU 53 1HB GLU 53 -14.701 6.293 1.024 464 HG2 GLU 53 2HG GLU 53 -13.188 4.631 -0.959 465 HG3 GLU 53 1HG GLU 53 -14.086 3.984 0.410 466 H ALA 54 H ALA 54 -11.719 7.925 1.191 467 HA ALA 54 HA ALA 54 -13.095 9.969 2.631 468 HB1 ALA 54 1HB ALA 54 -10.172 9.231 2.652 469 HB2 ALA 54 2HB ALA 54 -11.422 8.548 3.693 470 HB3 ALA 54 3HB ALA 54 -10.992 10.254 3.833 471 H ALA 55 H ALA 55 -10.792 9.937 -0.015 472 HA ALA 55 HA ALA 55 -9.886 12.568 0.079 473 HB1 ALA 55 1HB ALA 55 -10.370 10.903 -2.387 474 HB2 ALA 55 2HB ALA 55 -8.928 10.842 -1.373 475 HB3 ALA 55 3HB ALA 55 -9.316 12.313 -2.266 476 H GLU 56 H GLU 56 -12.809 11.251 -1.426 477 HA GLU 56 HA GLU 56 -13.541 13.808 -2.544 478 HB2 GLU 56 2HB GLU 56 -15.067 11.209 -2.324 479 HB3 GLU 56 1HB GLU 56 -15.641 12.632 -3.185 480 HG2 GLU 56 2HG GLU 56 -13.135 11.091 -3.832 481 HG3 GLU 56 1HG GLU 56 -14.671 10.970 -4.691 482 H LYS 57 H LYS 57 -13.682 12.506 0.501 483 HA LYS 57 HA LYS 57 -16.039 14.090 1.245 484 HB2 LYS 57 2HB LYS 57 -14.847 11.588 2.378 485 HB3 LYS 57 1HB LYS 57 -15.948 12.572 3.316 486 HG2 LYS 57 2HG LYS 57 -17.678 12.268 1.636 487 HG3 LYS 57 1HG LYS 57 -16.564 11.328 0.645 488 HD2 LYS 57 2HD LYS 57 -16.449 9.605 2.327 489 HD3 LYS 57 1HD LYS 57 -17.417 10.574 3.439 490 HE2 LYS 57 2HE LYS 57 -19.315 10.447 1.935 491 HE3 LYS 57 1HE LYS 57 -18.352 9.545 0.766 492 HZ1 LYS 57 3HZ LYS 57 -18.922 8.596 3.522 493 HZ2 LYS 57 1HZ LYS 57 -18.197 7.720 2.260 494 HZ3 LYS 57 2HZ LYS 57 -19.831 8.154 2.157 495 H ALA 58 H ALA 58 -12.898 14.495 1.082 496 HA ALA 58 HA ALA 58 -12.086 15.064 3.738 497 HB1 ALA 58 1HB ALA 58 -10.916 16.043 1.138 498 HB2 ALA 58 2HB ALA 58 -10.491 14.544 1.965 499 HB3 ALA 58 3HB ALA 58 -10.133 16.099 2.715 500 H ARG 59 H ARG 59 -12.099 16.908 4.903 501 HA ARG 59 HA ARG 59 -13.782 19.072 3.890 502 HB2 ARG 59 2HB ARG 59 -12.862 18.305 6.655 503 HB3 ARG 59 1HB ARG 59 -13.621 19.856 6.329 504 HG2 ARG 59 2HG ARG 59 -15.305 18.396 7.140 505 HG3 ARG 59 1HG ARG 59 -15.585 18.608 5.413 506 HD2 ARG 59 2HD ARG 59 -15.887 16.300 5.918 507 HD3 ARG 59 1HD ARG 59 -14.375 16.459 5.029 508 HE ARG 59 HE ARG 59 -13.753 16.557 7.742 509 HH11 ARG 59 1HH1 ARG 59 -14.984 14.254 5.404 510 HH12 ARG 59 2HH1 ARG 59 -14.500 12.856 6.325 511 HH21 ARG 59 1HH2 ARG 59 -13.093 14.730 8.934 512 HH22 ARG 59 2HH2 ARG 59 -13.464 13.128 8.349 513 H ASN 60 H ASN 60 -10.495 18.384 4.551 514 HA ASN 60 HA ASN 60 -9.838 21.244 4.313 515 HB2 ASN 60 2HB ASN 60 -9.091 20.276 6.457 516 HB3 ASN 60 1HB ASN 60 -8.187 19.043 5.585 517 HD21 ASN 60 1HD2 ASN 60 -8.447 22.467 4.761 518 HD22 ASN 60 2HD2 ASN 60 -6.768 22.818 4.972 519 HA PRO 61 HA PRO 61 -8.482 19.966 0.226 520 HB2 PRO 61 2HB PRO 61 -7.255 22.420 -0.270 521 HB3 PRO 61 1HB PRO 61 -8.935 22.015 -0.634 522 HG2 PRO 61 2HG PRO 61 -7.803 23.490 1.700 523 HG3 PRO 61 1HG PRO 61 -9.310 23.775 0.809 524 HD2 PRO 61 2HD PRO 61 -9.309 22.590 3.209 525 HD3 PRO 61 1HD PRO 61 -10.439 22.091 1.932 526 H GLU 62 H GLU 62 -6.405 21.526 2.646 527 HA GLU 62 HA GLU 62 -3.939 20.974 1.462 528 HB2 GLU 62 2HB GLU 62 -4.885 21.506 4.246 529 HB3 GLU 62 1HB GLU 62 -3.224 21.044 3.967 530 HG2 GLU 62 2HG GLU 62 -3.461 23.455 4.119 531 HG3 GLU 62 1HG GLU 62 -2.897 22.964 2.527 532 H LYS 63 H LYS 63 -5.872 19.121 3.796 533 HA LYS 63 HA LYS 63 -3.978 16.980 3.931 534 HB2 LYS 63 2HB LYS 63 -6.844 17.203 4.859 535 HB3 LYS 63 1HB LYS 63 -5.878 15.749 5.075 536 HG2 LYS 63 2HG LYS 63 -4.227 17.104 6.342 537 HG3 LYS 63 1HG LYS 63 -5.336 18.473 6.229 538 HD2 LYS 63 2HD LYS 63 -7.028 17.260 7.454 539 HD3 LYS 63 1HD LYS 63 -6.023 15.810 7.466 540 HE2 LYS 63 2HE LYS 63 -4.321 17.058 8.766 541 HE3 LYS 63 1HE LYS 63 -5.430 18.430 8.835 542 HZ1 LYS 63 3HZ LYS 63 -6.054 15.720 9.878 543 HZ2 LYS 63 1HZ LYS 63 -6.993 17.121 10.068 544 HZ3 LYS 63 2HZ LYS 63 -5.480 16.996 10.836 545 H ARG 64 H ARG 64 -6.757 17.727 1.978 546 HA ARG 64 HA ARG 64 -7.187 15.185 0.841 547 HB2 ARG 64 2HB ARG 64 -8.697 17.216 0.668 548 HB3 ARG 64 1HB ARG 64 -7.590 17.841 -0.544 549 HG2 ARG 64 2HG ARG 64 -8.053 15.924 -1.975 550 HG3 ARG 64 1HG ARG 64 -9.138 15.261 -0.750 551 HD2 ARG 64 2HD ARG 64 -10.488 17.360 -0.932 552 HD3 ARG 64 1HD ARG 64 -9.468 17.832 -2.289 553 HE ARG 64 HE ARG 64 -10.629 15.244 -2.641 554 HH11 ARG 64 1HH1 ARG 64 -11.202 18.679 -2.935 555 HH12 ARG 64 2HH1 ARG 64 -12.469 18.497 -4.115 556 HH21 ARG 64 1HH2 ARG 64 -12.290 14.985 -4.203 557 HH22 ARG 64 2HH2 ARG 64 -13.099 16.400 -4.820 558 H GLN 65 H GLN 65 -5.011 17.835 0.018 559 HA GLN 65 HA GLN 65 -3.961 16.723 -2.364 560 HB2 GLN 65 2HB GLN 65 -3.702 19.096 -1.647 561 HB3 GLN 65 1HB GLN 65 -2.600 18.563 -0.393 562 HG2 GLN 65 2HG GLN 65 -1.083 17.682 -2.099 563 HG3 GLN 65 1HG GLN 65 -2.178 18.252 -3.355 564 HE21 GLN 65 1HE2 GLN 65 -0.623 19.579 -4.249 565 HE22 GLN 65 2HE2 GLN 65 -0.124 21.054 -3.490 566 H VAL 66 H VAL 66 -3.024 16.493 1.015 567 HA VAL 66 HA VAL 66 -0.685 14.986 0.702 568 HB VAL 66 HB VAL 66 -2.677 14.833 2.981 569 HG11 VAL 66 1HG1 VAL 66 0.231 14.040 2.878 570 HG12 VAL 66 2HG1 VAL 66 -1.141 12.935 2.961 571 HG13 VAL 66 3HG1 VAL 66 -0.796 14.017 4.312 572 HG21 VAL 66 3HG2 VAL 66 -0.213 16.544 2.645 573 HG22 VAL 66 1HG2 VAL 66 -1.205 16.444 4.100 574 HG23 VAL 66 2HG2 VAL 66 -1.884 17.108 2.615 575 H ILE 67 H ILE 67 -4.051 13.952 1.109 576 HA ILE 67 HA ILE 67 -3.647 11.182 0.918 577 HB ILE 67 HB ILE 67 -6.038 12.826 0.057 578 HG12 ILE 67 2HG1 ILE 67 -5.507 11.313 2.627 579 HG13 ILE 67 1HG1 ILE 67 -5.389 13.060 2.443 580 HG21 ILE 67 1HG2 ILE 67 -7.320 10.750 0.261 581 HG22 ILE 67 2HG2 ILE 67 -5.832 9.865 0.593 582 HG23 ILE 67 3HG2 ILE 67 -6.073 10.621 -0.981 583 HD11 ILE 67 3HD1 ILE 67 -7.769 13.170 1.930 584 HD12 ILE 67 1HD1 ILE 67 -7.480 12.410 3.494 585 HD13 ILE 67 2HD1 ILE 67 -7.889 11.418 2.096 586 H ASP 68 H ASP 68 -4.283 13.630 -1.555 587 HA ASP 68 HA ASP 68 -4.436 11.950 -3.797 588 HB2 ASP 68 2HB ASP 68 -5.112 14.322 -3.798 589 HB3 ASP 68 1HB ASP 68 -3.433 14.802 -3.621 590 H LYS 69 H LYS 69 -1.675 13.601 -2.325 591 HA LYS 69 HA LYS 69 0.303 12.828 -4.156 592 HB2 LYS 69 2HB LYS 69 0.562 14.470 -2.252 593 HB3 LYS 69 1HB LYS 69 0.692 13.092 -1.169 594 HG2 LYS 69 2HG LYS 69 2.619 12.347 -2.720 595 HG3 LYS 69 1HG LYS 69 2.601 14.025 -3.269 596 HD2 LYS 69 2HD LYS 69 3.043 13.033 -0.454 597 HD3 LYS 69 1HD LYS 69 4.231 13.798 -1.510 598 HE2 LYS 69 2HE LYS 69 2.905 15.863 -1.481 599 HE3 LYS 69 1HE LYS 69 1.740 15.091 -0.404 600 HZ1 LYS 69 3HZ LYS 69 3.662 14.754 1.163 601 HZ2 LYS 69 1HZ LYS 69 3.171 16.360 0.945 602 HZ3 LYS 69 2HZ LYS 69 4.562 15.792 0.173 603 H ILE 70 H ILE 70 -0.825 11.214 -1.207 604 HA ILE 70 HA ILE 70 0.872 8.966 -1.374 605 HB ILE 70 HB ILE 70 -1.837 9.275 -0.065 606 HG12 ILE 70 2HG1 ILE 70 0.957 9.363 1.087 607 HG13 ILE 70 1HG1 ILE 70 -0.059 10.768 0.787 608 HG21 ILE 70 1HG2 ILE 70 -1.374 6.923 -0.474 609 HG22 ILE 70 2HG2 ILE 70 -1.260 7.291 1.246 610 HG23 ILE 70 3HG2 ILE 70 0.207 7.087 0.290 611 HD11 ILE 70 3HD1 ILE 70 -0.640 8.541 2.726 612 HD12 ILE 70 1HD1 ILE 70 -1.679 9.933 2.421 613 HD13 ILE 70 2HD1 ILE 70 -0.083 10.164 3.132 614 H LEU 71 H LEU 71 -2.341 9.654 -2.630 615 HA LEU 71 HA LEU 71 -3.020 7.146 -3.589 616 HB2 LEU 71 2HB LEU 71 -3.777 9.943 -4.242 617 HB3 LEU 71 1HB LEU 71 -4.277 8.679 -5.336 618 HG LEU 71 HG LEU 71 -4.923 8.760 -2.392 619 HD11 LEU 71 1HD1 LEU 71 -7.212 9.234 -3.131 620 HD12 LEU 71 2HD1 LEU 71 -6.641 9.347 -4.798 621 HD13 LEU 71 3HD1 LEU 71 -6.091 10.515 -3.593 622 HD21 LEU 71 3HD2 LEU 71 -5.880 6.921 -4.583 623 HD22 LEU 71 1HD2 LEU 71 -6.433 6.912 -2.909 624 HD23 LEU 71 2HD2 LEU 71 -4.763 6.493 -3.287 625 H GLU 72 H GLU 72 -1.117 9.718 -5.151 626 HA GLU 72 HA GLU 72 -0.911 8.557 -7.701 627 HB2 GLU 72 2HB GLU 72 -0.123 10.852 -7.144 628 HB3 GLU 72 1HB GLU 72 1.213 10.156 -6.244 629 HG2 GLU 72 2HG GLU 72 1.704 8.933 -8.503 630 HG3 GLU 72 1HG GLU 72 0.763 10.257 -9.185 631 H ASP 73 H ASP 73 1.130 8.199 -4.835 632 HA ASP 73 HA ASP 73 2.968 6.447 -6.087 633 HB2 ASP 73 2HB ASP 73 2.421 7.099 -3.206 634 HB3 ASP 73 1HB ASP 73 3.573 5.843 -3.658 635 H GLU 74 H GLU 74 0.068 5.859 -4.134 636 HA GLU 74 HA GLU 74 0.378 3.042 -4.112 637 HB2 GLU 74 2HB GLU 74 -2.136 4.703 -3.891 638 HB3 GLU 74 1HB GLU 74 -2.043 2.976 -3.574 639 HG2 GLU 74 2HG GLU 74 -0.479 5.068 -2.085 640 HG3 GLU 74 1HG GLU 74 -2.011 4.393 -1.543 641 H GLU 75 H GLU 75 -1.355 5.241 -6.318 642 HA GLU 75 HA GLU 75 -2.290 3.366 -8.159 643 HB2 GLU 75 2HB GLU 75 -1.312 6.201 -8.469 644 HB3 GLU 75 1HB GLU 75 -1.917 5.295 -9.833 645 HG2 GLU 75 2HG GLU 75 -3.405 6.179 -7.385 646 HG3 GLU 75 1HG GLU 75 -3.688 6.648 -9.058 647 H LYS 76 H LYS 76 0.820 4.936 -7.848 648 HA LYS 76 HA LYS 76 2.121 3.936 -10.110 649 HB2 LYS 76 2HB LYS 76 2.774 5.779 -8.438 650 HB3 LYS 76 1HB LYS 76 3.425 4.486 -7.449 651 HG2 LYS 76 2HG LYS 76 5.016 3.919 -9.164 652 HG3 LYS 76 1HG LYS 76 4.301 5.111 -10.256 653 HD2 LYS 76 2HD LYS 76 5.625 5.694 -7.603 654 HD3 LYS 76 1HD LYS 76 6.312 6.011 -9.199 655 HE2 LYS 76 2HE LYS 76 4.727 7.686 -9.665 656 HE3 LYS 76 1HE LYS 76 3.676 7.176 -8.348 657 HZ1 LYS 76 3HZ LYS 76 6.342 8.452 -8.035 658 HZ2 LYS 76 1HZ LYS 76 5.328 7.956 -6.766 659 HZ3 LYS 76 2HZ LYS 76 4.844 9.212 -7.803 660 H HIS 77 H HIS 77 1.944 2.698 -6.788 661 HA HIS 77 HA HIS 77 3.543 0.417 -7.125 662 HB2 HIS 77 2HB HIS 77 1.187 0.792 -5.260 663 HB3 HIS 77 1HB HIS 77 2.405 -0.466 -5.124 664 HD2 HIS 77 2HD HIS 77 4.788 2.013 -5.785 665 HE1 HIS 77 1HE HIS 77 3.652 2.982 -1.829 666 HE2 HIS 77 2HE HIS 77 5.256 3.512 -3.715 667 H ILE 78 H ILE 78 0.072 0.922 -7.537 668 HA ILE 78 HA ILE 78 -0.668 -1.705 -8.150 669 HB ILE 78 HB ILE 78 -1.852 0.900 -9.128 670 HG12 ILE 78 2HG1 ILE 78 -2.687 -0.978 -6.906 671 HG13 ILE 78 1HG1 ILE 78 -1.894 0.580 -6.688 672 HG21 ILE 78 1HG2 ILE 78 -3.877 -0.403 -9.646 673 HG22 ILE 78 2HG2 ILE 78 -3.002 -1.888 -9.279 674 HG23 ILE 78 3HG2 ILE 78 -2.503 -0.882 -10.640 675 HD11 ILE 78 3HD1 ILE 78 -4.619 0.142 -7.890 676 HD12 ILE 78 1HD1 ILE 78 -3.828 1.703 -7.662 677 HD13 ILE 78 2HD1 ILE 78 -4.282 0.730 -6.261 678 H GLU 79 H GLU 79 0.420 0.926 -10.265 679 HA GLU 79 HA GLU 79 0.160 -0.442 -12.693 680 HB2 GLU 79 2HB GLU 79 0.423 2.016 -12.452 681 HB3 GLU 79 1HB GLU 79 2.105 1.765 -12.000 682 HG2 GLU 79 2HG GLU 79 2.578 0.814 -14.154 683 HG3 GLU 79 1HG GLU 79 0.884 0.947 -14.617 684 H TRP 80 H TRP 80 2.884 -0.171 -10.436 685 HA TRP 80 HA TRP 80 4.805 -1.503 -11.980 686 HB2 TRP 80 2HB TRP 80 4.453 -1.434 -8.978 687 HB3 TRP 80 1HB TRP 80 5.874 -2.081 -9.785 688 HD1 TRP 80 HD TRP 80 5.404 0.687 -11.895 689 HE1 TRP 80 1HE TRP 80 6.605 2.816 -11.075 690 HE3 TRP 80 3HE TRP 80 6.217 -0.674 -7.031 691 HZ2 TRP 80 2HZ TRP 80 7.751 3.778 -8.672 692 HZ3 TRP 80 3HZ TRP 80 7.373 0.904 -5.535 693 HH2 TRP 80 HH TRP 80 8.126 3.086 -6.344 694 H HIS 81 H HIS 81 2.449 -2.742 -9.648 695 HA HIS 81 HA HIS 81 3.214 -5.459 -9.939 696 HB2 HIS 81 2HB HIS 81 1.026 -4.003 -8.576 697 HB3 HIS 81 1HB HIS 81 0.719 -5.693 -8.970 698 HD1 HIS 81 1HD HIS 81 3.059 -3.544 -6.889 699 HD2 HIS 81 2HD HIS 81 2.035 -7.534 -7.446 700 HE1 HIS 81 1HE HIS 81 4.233 -4.853 -5.055 701 H LYS 82 H LYS 82 0.961 -3.409 -11.658 702 HA LYS 82 HA LYS 82 -0.508 -5.379 -13.010 703 HB2 LYS 82 2HB LYS 82 0.253 -2.553 -13.658 704 HB3 LYS 82 1HB LYS 82 -0.563 -3.534 -14.863 705 HG2 LYS 82 2HG LYS 82 -1.670 -3.155 -12.102 706 HG3 LYS 82 1HG LYS 82 -2.003 -2.032 -13.422 707 HD2 LYS 82 2HD LYS 82 -2.881 -3.918 -14.758 708 HD3 LYS 82 1HD LYS 82 -2.629 -4.984 -13.374 709 HE2 LYS 82 2HE LYS 82 -4.334 -2.505 -13.251 710 HE3 LYS 82 1HE LYS 82 -4.974 -4.086 -13.693 711 HZ1 LYS 82 3HZ LYS 82 -4.573 -4.930 -11.591 712 HZ2 LYS 82 1HZ LYS 82 -5.144 -3.364 -11.274 713 HZ3 LYS 82 2HZ LYS 82 -3.482 -3.698 -11.172 714 H ALA 83 H ALA 83 2.537 -3.770 -13.931 715 HA ALA 83 HA ALA 83 2.871 -5.320 -16.304 716 HB1 ALA 83 1HB ALA 83 5.077 -4.324 -16.428 717 HB2 ALA 83 2HB ALA 83 4.939 -3.757 -14.764 718 HB3 ALA 83 3HB ALA 83 3.880 -3.098 -16.010 719 H ALA 84 H ALA 84 3.906 -5.669 -12.982 720 HA ALA 84 HA ALA 84 5.917 -7.616 -13.465 721 HB1 ALA 84 1HB ALA 84 5.885 -6.136 -11.495 722 HB2 ALA 84 2HB ALA 84 6.042 -7.842 -11.078 723 HB3 ALA 84 3HB ALA 84 4.491 -7.026 -10.881 724 H SER 85 H SER 85 2.471 -7.858 -12.945 725 HA SER 85 HA SER 85 2.551 -10.504 -11.881 726 HB2 SER 85 2HB SER 85 0.008 -10.349 -12.322 727 HB3 SER 85 1HB SER 85 0.726 -9.265 -11.130 728 HG SER 85 HG SER 85 0.522 -7.593 -12.488 729 H LYS 86 H LYS 86 3.899 -11.346 -13.648 730 HA LYS 86 HA LYS 86 2.363 -13.214 -15.084 731 HB2 LYS 86 2HB LYS 86 2.371 -10.914 -16.485 732 HB3 LYS 86 1HB LYS 86 3.892 -11.590 -17.052 733 HG2 LYS 86 2HG LYS 86 2.738 -13.616 -17.762 734 HG3 LYS 86 1HG LYS 86 1.212 -12.953 -17.177 735 HD2 LYS 86 2HD LYS 86 1.659 -10.995 -18.757 736 HD3 LYS 86 1HD LYS 86 2.893 -12.024 -19.490 737 HE2 LYS 86 2HE LYS 86 0.917 -12.323 -20.766 738 HE3 LYS 86 1HE LYS 86 1.097 -13.770 -19.776 739 HZ1 LYS 86 3HZ LYS 86 -0.479 -12.726 -18.173 740 HZ2 LYS 86 1HZ LYS 86 -1.168 -13.086 -19.681 741 HZ3 LYS 86 2HZ LYS 86 -0.743 -11.490 -19.305 742 H GLN 87 H GLN 87 3.672 -14.770 -14.301 743 HA GLN 87 HA GLN 87 5.477 -16.087 -13.937 744 HB2 GLN 87 2HB GLN 87 6.498 -14.460 -16.233 745 HB3 GLN 87 1HB GLN 87 7.612 -15.490 -15.344 746 HG2 GLN 87 2HG GLN 87 6.713 -16.589 -17.335 747 HG3 GLN 87 1HG GLN 87 6.292 -17.437 -15.852 748 HE21 GLN 87 1HE2 GLN 87 5.101 -15.504 -18.489 749 HE22 GLN 87 2HE2 GLN 87 3.419 -15.845 -18.236 750 H GLY 88 H GLY 88 6.662 -16.059 -12.146 751 HA2 GLY 88 2HA GLY 88 7.343 -13.386 -11.112 752 HA3 GLY 88 1HA GLY 88 6.964 -14.792 -10.131 753 H ASN 89 H ASN 89 9.413 -12.994 -11.695 754 HA ASN 89 HA ASN 89 11.507 -14.920 -11.186 755 HB2 ASN 89 2HB ASN 89 11.685 -13.256 -13.037 756 HB3 ASN 89 1HB ASN 89 11.698 -11.963 -11.846 757 HD21 ASN 89 1HD2 ASN 89 13.660 -12.857 -13.885 758 HD22 ASN 89 2HD2 ASN 89 15.143 -13.080 -13.013 759 H ALA 90 H ALA 90 12.256 -15.305 -9.219 760 HA ALA 90 HA ALA 90 11.232 -14.162 -6.926 761 HB1 ALA 90 1HB ALA 90 12.930 -15.381 -5.704 762 HB2 ALA 90 2HB ALA 90 13.876 -15.587 -7.177 763 HB3 ALA 90 3HB ALA 90 12.302 -16.367 -7.025 764 H GLU 91 H GLU 91 14.366 -13.436 -8.464 765 HA GLU 91 HA GLU 91 15.307 -11.703 -6.472 766 HB2 GLU 91 2HB GLU 91 15.919 -12.008 -9.403 767 HB3 GLU 91 1HB GLU 91 16.724 -10.806 -8.414 768 HG2 GLU 91 2HG GLU 91 16.771 -13.781 -7.981 769 HG3 GLU 91 1HG GLU 91 18.082 -12.795 -8.628 770 H GLN 92 H GLN 92 13.552 -11.057 -9.487 771 HA GLN 92 HA GLN 92 13.596 -8.232 -9.131 772 HB2 GLN 92 2HB GLN 92 11.831 -9.928 -10.896 773 HB3 GLN 92 1HB GLN 92 11.989 -8.179 -10.994 774 HG2 GLN 92 2HG GLN 92 14.443 -8.544 -11.420 775 HG3 GLN 92 1HG GLN 92 14.073 -10.258 -11.590 776 HE21 GLN 92 1HE2 GLN 92 13.714 -7.093 -12.967 777 HE22 GLN 92 2HE2 GLN 92 13.118 -7.606 -14.515 778 H PHE 93 H PHE 93 11.239 -10.766 -8.421 779 HA PHE 93 HA PHE 93 9.089 -9.055 -7.770 780 HB2 PHE 93 2HB PHE 93 8.974 -11.557 -8.219 781 HB3 PHE 93 1HB PHE 93 9.577 -11.790 -6.583 782 HD1 PHE 93 1HD PHE 93 6.848 -10.084 -8.449 783 HD2 PHE 93 2HD PHE 93 8.074 -11.978 -4.840 784 HE1 PHE 93 1HE PHE 93 4.545 -9.939 -7.597 785 HE2 PHE 93 2HE PHE 93 5.772 -11.835 -3.982 786 HZ PHE 93 HZ PHE 93 4.006 -10.816 -5.362 787 H ALA 94 H ALA 94 11.622 -10.552 -5.788 788 HA ALA 94 HA ALA 94 10.775 -9.553 -3.304 789 HB1 ALA 94 1HB ALA 94 13.041 -10.011 -2.534 790 HB2 ALA 94 2HB ALA 94 13.590 -10.168 -4.204 791 HB3 ALA 94 3HB ALA 94 12.443 -11.332 -3.540 792 H SER 95 H SER 95 12.812 -8.156 -5.825 793 HA SER 95 HA SER 95 13.657 -5.888 -4.389 794 HB2 SER 95 2HB SER 95 13.310 -6.271 -7.375 795 HB3 SER 95 1HB SER 95 14.261 -5.014 -6.601 796 HG SER 95 HG SER 95 14.746 -7.800 -6.668 797 H LEU 96 H LEU 96 10.881 -6.507 -6.501 798 HA LEU 96 HA LEU 96 9.867 -3.885 -6.565 799 HB2 LEU 96 2HB LEU 96 9.135 -5.648 -8.097 800 HB3 LEU 96 1HB LEU 96 8.414 -6.524 -6.764 801 HG LEU 96 HG LEU 96 6.799 -4.680 -6.433 802 HD11 LEU 96 1HD1 LEU 96 8.158 -2.849 -7.295 803 HD12 LEU 96 2HD1 LEU 96 6.611 -2.934 -8.139 804 HD13 LEU 96 3HD1 LEU 96 8.077 -3.535 -8.918 805 HD21 LEU 96 3HD2 LEU 96 6.889 -5.763 -9.249 806 HD22 LEU 96 1HD2 LEU 96 5.468 -5.118 -8.425 807 HD23 LEU 96 2HD2 LEU 96 6.231 -6.598 -7.842 808 H VAL 97 H VAL 97 9.116 -6.636 -4.462 809 HA VAL 97 HA VAL 97 7.201 -5.287 -2.883 810 HB VAL 97 HB VAL 97 8.882 -7.709 -2.212 811 HG11 VAL 97 1HG1 VAL 97 7.192 -8.198 -0.511 812 HG12 VAL 97 2HG1 VAL 97 6.376 -6.678 -0.879 813 HG13 VAL 97 3HG1 VAL 97 7.999 -6.662 -0.185 814 HG21 VAL 97 3HG2 VAL 97 6.084 -7.442 -3.309 815 HG22 VAL 97 1HG2 VAL 97 6.846 -8.956 -2.821 816 HG23 VAL 97 2HG2 VAL 97 7.500 -8.036 -4.176 817 H GLN 98 H GLN 98 10.694 -5.724 -2.545 818 HA GLN 98 HA GLN 98 11.003 -4.644 0.020 819 HB2 GLN 98 2HB GLN 98 12.791 -5.829 -1.176 820 HB3 GLN 98 1HB GLN 98 12.908 -4.508 -2.327 821 HG2 GLN 98 2HG GLN 98 13.561 -3.009 -0.466 822 HG3 GLN 98 1HG GLN 98 13.554 -4.404 0.610 823 HE21 GLN 98 1HE2 GLN 98 15.736 -2.628 -0.132 824 HE22 GLN 98 2HE2 GLN 98 16.973 -3.635 -0.801 825 H GLN 99 H GLN 99 11.074 -3.064 -3.154 826 HA GLN 99 HA GLN 99 11.569 -0.453 -2.139 827 HB2 GLN 99 2HB GLN 99 11.170 -1.692 -4.718 828 HB3 GLN 99 1HB GLN 99 10.256 -0.195 -4.614 829 HG2 GLN 99 2HG GLN 99 12.417 0.240 -5.558 830 HG3 GLN 99 1HG GLN 99 12.303 0.992 -3.971 831 HE21 GLN 99 1HE2 GLN 99 12.832 -2.437 -4.454 832 HE22 GLN 99 2HE2 GLN 99 14.459 -2.455 -3.869 833 H HIS 100 H HIS 100 8.685 -2.255 -3.001 834 HA HIS 100 HA HIS 100 6.789 -0.197 -2.749 835 HB2 HIS 100 2HB HIS 100 6.418 -2.453 -3.788 836 HB3 HIS 100 1HB HIS 100 6.402 -3.146 -2.172 837 HD1 HIS 100 1HD HIS 100 3.908 -3.912 -3.026 838 HD2 HIS 100 2HD HIS 100 4.491 0.117 -2.214 839 HE1 HIS 100 1HE HIS 100 1.607 -2.898 -2.793 840 H LEU 101 H LEU 101 8.105 -2.507 -0.425 841 HA LEU 101 HA LEU 101 6.448 -1.983 1.753 842 HB2 LEU 101 2HB LEU 101 8.339 -3.759 1.314 843 HB3 LEU 101 1HB LEU 101 9.359 -2.584 2.116 844 HG LEU 101 HG LEU 101 6.880 -3.772 3.373 845 HD11 LEU 101 1HD1 LEU 101 9.768 -4.585 3.668 846 HD12 LEU 101 2HD1 LEU 101 8.479 -5.542 2.936 847 HD13 LEU 101 3HD1 LEU 101 8.436 -5.174 4.662 848 HD21 LEU 101 3HD2 LEU 101 7.579 -1.624 4.311 849 HD22 LEU 101 1HD2 LEU 101 9.208 -2.253 4.551 850 HD23 LEU 101 2HD2 LEU 101 7.857 -2.939 5.454 851 H GLN 102 H GLN 102 9.574 -0.518 0.893 852 HA GLN 102 HA GLN 102 9.819 1.173 3.077 853 HB2 GLN 102 2HB GLN 102 10.856 1.426 0.256 854 HB3 GLN 102 1HB GLN 102 11.425 2.331 1.632 855 HG2 GLN 102 2HG GLN 102 11.609 -0.638 1.287 856 HG3 GLN 102 1HG GLN 102 12.934 0.515 1.125 857 HE21 GLN 102 1HE2 GLN 102 13.750 1.515 2.973 858 HE22 GLN 102 2HE2 GLN 102 13.481 0.871 4.553 859 H ASP 103 H ASP 103 8.193 1.602 -0.026 860 HA ASP 103 HA ASP 103 7.754 4.394 0.235 861 HB2 ASP 103 2HB ASP 103 7.114 2.347 -1.672 862 HB3 ASP 103 1HB ASP 103 5.668 3.284 -1.327 863 H GLU 104 H GLU 104 5.876 1.549 1.121 864 HA GLU 104 HA GLU 104 3.543 2.958 1.870 865 HB2 GLU 104 2HB GLU 104 4.515 0.250 2.788 866 HB3 GLU 104 1HB GLU 104 2.891 0.881 3.027 867 HG2 GLU 104 2HG GLU 104 4.207 0.304 0.381 868 HG3 GLU 104 1HG GLU 104 2.966 -0.669 1.161 869 H GLN 105 H GLN 105 6.479 2.106 3.590 870 HA GLN 105 HA GLN 105 5.695 2.781 6.180 871 HB2 GLN 105 2HB GLN 105 8.382 3.126 4.851 872 HB3 GLN 105 1HB GLN 105 8.089 3.200 6.573 873 HG2 GLN 105 2HG GLN 105 7.366 0.869 6.559 874 HG3 GLN 105 1HG GLN 105 7.672 0.795 4.824 875 HE21 GLN 105 1HE2 GLN 105 8.862 -0.755 6.976 876 HE22 GLN 105 2HE2 GLN 105 10.564 -0.480 6.884 877 H ARG 106 H ARG 106 6.897 4.725 3.505 878 HA ARG 106 HA ARG 106 7.223 7.171 4.866 879 HB2 ARG 106 2HB ARG 106 6.570 6.623 1.956 880 HB3 ARG 106 1HB ARG 106 7.109 8.172 2.589 881 HG2 ARG 106 2HG ARG 106 9.251 7.328 3.100 882 HG3 ARG 106 1HG ARG 106 8.732 5.659 2.859 883 HD2 ARG 106 2HD ARG 106 10.061 6.459 0.966 884 HD3 ARG 106 1HD ARG 106 8.407 6.089 0.480 885 HE ARG 106 HE ARG 106 9.042 8.867 1.126 886 HH11 ARG 106 1HH1 ARG 106 8.464 6.437 -1.341 887 HH12 ARG 106 2HH1 ARG 106 8.107 7.603 -2.577 888 HH21 ARG 106 1HH2 ARG 106 8.612 10.397 -0.506 889 HH22 ARG 106 2HH2 ARG 106 8.191 9.849 -2.103 890 H HIS 107 H HIS 107 4.423 5.671 3.342 891 HA HIS 107 HA HIS 107 2.713 7.926 3.477 892 HB2 HIS 107 2HB HIS 107 2.003 4.975 3.539 893 HB3 HIS 107 1HB HIS 107 0.861 6.287 3.263 894 HD2 HIS 107 2HD HIS 107 3.424 7.624 1.233 895 HE1 HIS 107 1HE HIS 107 1.903 4.540 -1.222 896 HE2 HIS 107 2HE HIS 107 3.533 6.473 -1.077 897 H VAL 108 H VAL 108 3.218 5.177 5.667 898 HA VAL 108 HA VAL 108 1.482 6.035 7.709 899 HB VAL 108 HB VAL 108 4.032 4.424 7.987 900 HG11 VAL 108 1HG1 VAL 108 3.258 5.339 10.125 901 HG12 VAL 108 2HG1 VAL 108 3.064 3.587 10.063 902 HG13 VAL 108 3HG1 VAL 108 1.663 4.637 9.845 903 HG21 VAL 108 3HG2 VAL 108 2.503 3.385 6.424 904 HG22 VAL 108 1HG2 VAL 108 1.180 3.540 7.580 905 HG23 VAL 108 2HG2 VAL 108 2.536 2.469 7.933 906 H GLU 109 H GLU 109 4.902 6.679 7.076 907 HA GLU 109 HA GLU 109 5.550 8.151 9.337 908 HB2 GLU 109 2HB GLU 109 6.492 8.301 6.478 909 HB3 GLU 109 1HB GLU 109 7.197 9.287 7.736 910 HG2 GLU 109 2HG GLU 109 7.148 6.285 7.677 911 HG3 GLU 109 1HG GLU 109 8.528 7.309 7.287 912 H GLU 110 H GLU 110 4.109 9.216 6.274 913 HA GLU 110 HA GLU 110 4.021 11.950 6.941 914 HB2 GLU 110 2HB GLU 110 2.724 10.218 4.880 915 HB3 GLU 110 1HB GLU 110 2.209 11.878 5.069 916 HG2 GLU 110 2HG GLU 110 4.948 10.883 4.357 917 HG3 GLU 110 1HG GLU 110 3.839 11.804 3.340 918 H ILE 111 H ILE 111 1.681 9.316 7.326 919 HA ILE 111 HA ILE 111 -0.479 10.943 8.157 920 HB ILE 111 HB ILE 111 0.074 8.039 8.793 921 HG12 ILE 111 2HG1 ILE 111 -1.705 9.298 6.690 922 HG13 ILE 111 1HG1 ILE 111 -0.131 8.575 6.380 923 HG21 ILE 111 1HG2 ILE 111 -1.503 9.008 10.392 924 HG22 ILE 111 2HG2 ILE 111 -2.306 7.864 9.313 925 HG23 ILE 111 3HG2 ILE 111 -2.498 9.600 9.059 926 HD11 ILE 111 3HD1 ILE 111 -0.977 6.407 7.088 927 HD12 ILE 111 1HD1 ILE 111 -1.954 7.077 5.777 928 HD13 ILE 111 2HD1 ILE 111 -2.549 7.128 7.437 929 H GLU 112 H GLU 112 1.971 9.147 10.021 930 HA GLU 112 HA GLU 112 1.021 9.712 12.577 931 HB2 GLU 112 2HB GLU 112 3.842 9.247 11.600 932 HB3 GLU 112 1HB GLU 112 3.333 9.189 13.272 933 HG2 GLU 112 2HG GLU 112 2.156 7.415 11.167 934 HG3 GLU 112 1HG GLU 112 3.590 6.981 12.093 935 H LYS 113 H LYS 113 2.942 11.616 10.365 936 HA LYS 113 HA LYS 113 3.598 13.569 12.436 937 HB2 LYS 113 2HB LYS 113 4.416 13.417 9.532 938 HB3 LYS 113 1HB LYS 113 4.963 14.642 10.667 939 HG2 LYS 113 2HG LYS 113 5.996 12.868 12.030 940 HG3 LYS 113 1HG LYS 113 5.507 11.686 10.815 941 HD2 LYS 113 2HD LYS 113 7.243 14.072 10.203 942 HD3 LYS 113 1HD LYS 113 7.891 12.500 10.662 943 HE2 LYS 113 2HE LYS 113 7.968 12.553 8.309 944 HE3 LYS 113 1HE LYS 113 6.584 11.543 8.712 945 HZ1 LYS 113 3HZ LYS 113 6.424 14.413 7.960 946 HZ2 LYS 113 1HZ LYS 113 5.118 13.377 8.244 947 HZ3 LYS 113 2HZ LYS 113 6.123 13.120 6.905 948 H LYS 114 H LYS 114 0.860 13.109 10.954 949 HA LYS 114 HA LYS 114 0.501 15.968 10.366 950 HB2 LYS 114 2HB LYS 114 0.256 13.940 8.514 951 HB3 LYS 114 1HB LYS 114 -1.404 14.219 9.016 952 HG2 LYS 114 2HG LYS 114 0.503 16.207 7.802 953 HG3 LYS 114 1HG LYS 114 -0.980 15.563 7.098 954 HD2 LYS 114 2HD LYS 114 -1.776 17.573 7.826 955 HD3 LYS 114 1HD LYS 114 -2.026 16.636 9.299 956 HE2 LYS 114 2HE LYS 114 0.178 17.433 10.121 957 HE3 LYS 114 1HE LYS 114 0.308 18.448 8.686 958 HZ1 LYS 114 3HZ LYS 114 -0.495 19.763 10.490 959 HZ2 LYS 114 1HZ LYS 114 -1.734 18.655 10.841 960 HZ3 LYS 114 2HZ LYS 114 -1.777 19.549 9.400 961 H ASN 115 H ASN 115 -0.383 16.599 12.239 962 HA ASN 115 HA ASN 115 -2.818 15.297 13.194 963 HB2 ASN 115 2HB ASN 115 -1.289 17.704 14.225 964 HB3 ASN 115 1HB ASN 115 -2.748 17.056 14.969 965 HD21 ASN 115 1HD2 ASN 115 0.642 16.540 14.361 966 HD22 ASN 115 2HD2 ASN 115 0.857 15.269 15.517 Start of MODEL 7 1 H1 MET 1 H1 MET 1 -12.731 13.820 12.590 2 H2 MET 1 H2 MET 1 -14.323 13.442 13.031 3 H3 MET 1 H3 MET 1 -13.749 15.026 13.220 4 HA MET 1 HA MET 1 -15.164 14.918 11.308 5 HB2 MET 1 2HB MET 1 -12.235 15.109 10.569 6 HB3 MET 1 1HB MET 1 -13.561 15.674 9.566 7 HG2 MET 1 2HG MET 1 -14.178 17.287 11.299 8 HG3 MET 1 1HG MET 1 -12.841 16.716 12.296 9 HE1 MET 1 2HE MET 1 -11.925 19.183 12.535 10 HE2 MET 1 3HE MET 1 -13.254 19.789 11.543 11 HE3 MET 1 1HE MET 1 -11.594 20.248 11.169 12 H ASP 2 H ASP 2 -12.229 13.262 10.209 13 HA ASP 2 HA ASP 2 -13.950 11.292 8.876 14 HB2 ASP 2 2HB ASP 2 -11.981 10.960 7.334 15 HB3 ASP 2 1HB ASP 2 -12.747 12.540 7.229 16 H GLU 3 H GLU 3 -12.887 9.159 8.529 17 HA GLU 3 HA GLU 3 -12.436 7.973 11.010 18 HB2 GLU 3 2HB GLU 3 -11.677 6.835 8.314 19 HB3 GLU 3 1HB GLU 3 -11.969 5.927 9.791 20 HG2 GLU 3 2HG GLU 3 -13.970 5.624 8.774 21 HG3 GLU 3 1HG GLU 3 -14.320 7.120 9.634 22 H LEU 4 H LEU 4 -10.076 8.176 8.354 23 HA LEU 4 HA LEU 4 -7.832 8.412 8.272 24 HB2 LEU 4 2HB LEU 4 -8.230 10.354 9.758 25 HB3 LEU 4 1HB LEU 4 -8.012 9.307 11.147 26 HG LEU 4 HG LEU 4 -5.681 8.861 10.405 27 HD11 LEU 4 1HD1 LEU 4 -6.270 10.987 8.346 28 HD12 LEU 4 2HD1 LEU 4 -5.945 9.285 8.021 29 HD13 LEU 4 3HD1 LEU 4 -4.680 10.310 8.700 30 HD21 LEU 4 3HD2 LEU 4 -6.163 10.595 12.063 31 HD22 LEU 4 1HD2 LEU 4 -6.350 11.780 10.771 32 HD23 LEU 4 2HD2 LEU 4 -4.780 11.028 11.057 33 H ARG 5 H ARG 5 -8.831 6.919 11.344 34 HA ARG 5 HA ARG 5 -6.495 5.459 11.817 35 HB2 ARG 5 2HB ARG 5 -8.151 5.794 13.544 36 HB3 ARG 5 1HB ARG 5 -9.352 4.899 12.625 37 HG2 ARG 5 2HG ARG 5 -8.060 2.856 12.896 38 HG3 ARG 5 1HG ARG 5 -6.820 3.752 13.774 39 HD2 ARG 5 2HD ARG 5 -8.379 2.516 15.254 40 HD3 ARG 5 1HD ARG 5 -8.358 4.254 15.551 41 HE ARG 5 HE ARG 5 -10.409 3.800 13.747 42 HH11 ARG 5 1HH1 ARG 5 -9.618 2.772 17.006 43 HH12 ARG 5 2HH1 ARG 5 -11.278 2.684 17.513 44 HH21 ARG 5 1HH2 ARG 5 -12.591 3.671 14.423 45 HH22 ARG 5 2HH2 ARG 5 -12.963 3.172 16.041 46 H GLU 6 H GLU 6 -9.465 4.505 10.104 47 HA GLU 6 HA GLU 6 -8.678 1.862 9.546 48 HB2 GLU 6 2HB GLU 6 -10.561 3.679 8.044 49 HB3 GLU 6 1HB GLU 6 -10.412 1.949 7.777 50 HG2 GLU 6 2HG GLU 6 -11.090 1.569 10.119 51 HG3 GLU 6 1HG GLU 6 -11.328 3.307 10.296 52 H LEU 7 H LEU 7 -8.032 4.905 7.967 53 HA LEU 7 HA LEU 7 -6.942 3.860 5.563 54 HB2 LEU 7 2HB LEU 7 -7.701 6.220 5.928 55 HB3 LEU 7 1HB LEU 7 -6.287 6.469 6.931 56 HG LEU 7 HG LEU 7 -4.855 5.958 4.960 57 HD11 LEU 7 1HD1 LEU 7 -7.480 6.023 3.479 58 HD12 LEU 7 2HD1 LEU 7 -6.455 4.607 3.715 59 HD13 LEU 7 3HD1 LEU 7 -5.876 5.962 2.747 60 HD21 LEU 7 3HD2 LEU 7 -5.264 8.096 3.831 61 HD22 LEU 7 1HD2 LEU 7 -5.344 8.254 5.585 62 HD23 LEU 7 2HD2 LEU 7 -6.829 8.216 4.636 63 H LEU 8 H LEU 8 -5.546 4.886 8.646 64 HA LEU 8 HA LEU 8 -2.851 4.373 8.098 65 HB2 LEU 8 2HB LEU 8 -3.704 5.575 10.088 66 HB3 LEU 8 1HB LEU 8 -4.318 4.065 10.722 67 HG LEU 8 HG LEU 8 -2.015 3.192 10.859 68 HD11 LEU 8 1HD1 LEU 8 -0.124 4.695 10.568 69 HD12 LEU 8 2HD1 LEU 8 -1.211 5.978 10.038 70 HD13 LEU 8 3HD1 LEU 8 -1.027 4.520 9.065 71 HD21 LEU 8 3HD2 LEU 8 -3.037 4.253 12.799 72 HD22 LEU 8 1HD2 LEU 8 -2.454 5.825 12.263 73 HD23 LEU 8 2HD2 LEU 8 -1.306 4.577 12.747 74 H LYS 9 H LYS 9 -5.358 2.301 9.493 75 HA LYS 9 HA LYS 9 -3.818 0.018 9.917 76 HB2 LYS 9 2HB LYS 9 -6.745 0.246 9.221 77 HB3 LYS 9 1HB LYS 9 -5.974 -1.245 9.739 78 HG2 LYS 9 2HG LYS 9 -5.310 -0.027 11.845 79 HG3 LYS 9 1HG LYS 9 -6.382 1.275 11.325 80 HD2 LYS 9 2HD LYS 9 -7.569 -0.182 12.849 81 HD3 LYS 9 1HD LYS 9 -8.248 -0.355 11.228 82 HE2 LYS 9 2HE LYS 9 -6.882 -2.384 10.904 83 HE3 LYS 9 1HE LYS 9 -6.271 -2.216 12.549 84 HZ1 LYS 9 3HZ LYS 9 -8.046 -3.817 12.482 85 HZ2 LYS 9 1HZ LYS 9 -9.098 -2.696 11.768 86 HZ3 LYS 9 2HZ LYS 9 -8.559 -2.458 13.353 87 H ALA 10 H ALA 10 -5.371 1.170 6.968 88 HA ALA 10 HA ALA 10 -5.083 -1.177 5.442 89 HB1 ALA 10 1HB ALA 10 -6.495 0.735 4.775 90 HB2 ALA 10 2HB ALA 10 -5.391 0.228 3.496 91 HB3 ALA 10 3HB ALA 10 -5.035 1.670 4.445 92 H GLU 11 H GLU 11 -2.956 1.646 5.804 93 HA GLU 11 HA GLU 11 -0.879 0.711 4.149 94 HB2 GLU 11 2HB GLU 11 -0.738 2.557 6.541 95 HB3 GLU 11 1HB GLU 11 0.527 2.357 5.339 96 HG2 GLU 11 2HG GLU 11 -2.242 3.403 4.793 97 HG3 GLU 11 1HG GLU 11 -0.798 4.392 5.003 98 H GLN 12 H GLN 12 -1.423 0.430 7.644 99 HA GLN 12 HA GLN 12 0.938 -0.929 8.308 100 HB2 GLN 12 2HB GLN 12 -1.795 -1.184 9.582 101 HB3 GLN 12 1HB GLN 12 -0.283 -1.716 10.301 102 HG2 GLN 12 2HG GLN 12 0.509 0.582 10.374 103 HG3 GLN 12 1HG GLN 12 -0.987 1.130 9.619 104 HE21 GLN 12 1HE2 GLN 12 0.133 1.868 12.201 105 HE22 GLN 12 2HE2 GLN 12 -1.060 1.439 13.379 106 H GLN 13 H GLN 13 -2.202 -2.113 7.240 107 HA GLN 13 HA GLN 13 -1.698 -4.864 7.523 108 HB2 GLN 13 2HB GLN 13 -3.938 -3.813 7.189 109 HB3 GLN 13 1HB GLN 13 -3.506 -3.516 5.514 110 HG2 GLN 13 2HG GLN 13 -3.298 -5.924 5.140 111 HG3 GLN 13 1HG GLN 13 -3.734 -6.217 6.824 112 HE21 GLN 13 1HE2 GLN 13 -4.875 -5.224 3.700 113 HE22 GLN 13 2HE2 GLN 13 -6.561 -5.334 4.058 114 H GLY 14 H GLY 14 -1.255 -2.651 4.819 115 HA2 GLY 14 2HA GLY 14 -0.352 -4.546 2.937 116 HA3 GLY 14 1HA GLY 14 0.002 -2.829 2.898 117 H ILE 15 H ILE 15 1.434 -2.539 5.260 118 HA ILE 15 HA ILE 15 4.011 -3.417 4.565 119 HB ILE 15 HB ILE 15 2.984 -2.508 7.260 120 HG12 ILE 15 2HG1 ILE 15 4.453 -1.012 5.076 121 HG13 ILE 15 1HG1 ILE 15 2.742 -0.846 5.458 122 HG21 ILE 15 1HG2 ILE 15 5.820 -2.802 6.275 123 HG22 ILE 15 2HG2 ILE 15 5.041 -3.770 7.527 124 HG23 ILE 15 3HG2 ILE 15 5.341 -2.053 7.798 125 HD11 ILE 15 3HD1 ILE 15 3.319 0.028 7.661 126 HD12 ILE 15 1HD1 ILE 15 4.044 0.992 6.372 127 HD13 ILE 15 2HD1 ILE 15 5.032 -0.151 7.285 128 H LYS 16 H LYS 16 1.651 -4.686 6.883 129 HA LYS 16 HA LYS 16 3.102 -6.803 7.964 130 HB2 LYS 16 2HB LYS 16 0.811 -6.100 8.655 131 HB3 LYS 16 1HB LYS 16 0.178 -6.806 7.182 132 HG2 LYS 16 2HG LYS 16 1.164 -9.000 7.967 133 HG3 LYS 16 1HG LYS 16 1.405 -8.214 9.529 134 HD2 LYS 16 2HD LYS 16 -0.985 -7.736 9.661 135 HD3 LYS 16 1HD LYS 16 -1.232 -8.502 8.090 136 HE2 LYS 16 2HE LYS 16 -0.279 -10.603 9.088 137 HE3 LYS 16 1HE LYS 16 -0.338 -9.800 10.657 138 HZ1 LYS 16 3HZ LYS 16 -2.757 -9.485 10.296 139 HZ2 LYS 16 1HZ LYS 16 -2.300 -11.118 10.377 140 HZ3 LYS 16 2HZ LYS 16 -2.636 -10.405 8.876 141 H ILE 17 H ILE 17 1.083 -6.692 5.078 142 HA ILE 17 HA ILE 17 1.530 -9.300 4.148 143 HB ILE 17 HB ILE 17 0.919 -6.771 2.597 144 HG12 ILE 17 2HG1 ILE 17 -0.870 -9.033 3.522 145 HG13 ILE 17 1HG1 ILE 17 -0.764 -7.450 4.284 146 HG21 ILE 17 1HG2 ILE 17 0.197 -8.242 0.779 147 HG22 ILE 17 2HG2 ILE 17 0.736 -9.648 1.694 148 HG23 ILE 17 3HG2 ILE 17 1.912 -8.462 1.132 149 HD11 ILE 17 3HD1 ILE 17 -2.727 -7.603 2.875 150 HD12 ILE 17 1HD1 ILE 17 -1.718 -8.009 1.486 151 HD13 ILE 17 2HD1 ILE 17 -1.595 -6.416 2.229 152 H LEU 18 H LEU 18 3.246 -6.274 3.393 153 HA LEU 18 HA LEU 18 5.061 -7.325 1.549 154 HB2 LEU 18 2HB LEU 18 5.430 -5.030 3.473 155 HB3 LEU 18 1HB LEU 18 6.487 -5.375 2.115 156 HG LEU 18 HG LEU 18 3.565 -4.632 1.927 157 HD11 LEU 18 1HD1 LEU 18 4.952 -2.756 2.589 158 HD12 LEU 18 2HD1 LEU 18 4.395 -2.564 0.927 159 HD13 LEU 18 3HD1 LEU 18 6.053 -3.075 1.247 160 HD21 LEU 18 3HD2 LEU 18 5.604 -5.120 -0.240 161 HD22 LEU 18 1HD2 LEU 18 3.961 -4.526 -0.481 162 HD23 LEU 18 2HD2 LEU 18 4.229 -6.152 0.145 163 H LYS 19 H LYS 19 5.263 -7.138 5.074 164 HA LYS 19 HA LYS 19 7.855 -8.141 5.384 165 HB2 LYS 19 2HB LYS 19 5.390 -8.113 7.084 166 HB3 LYS 19 1HB LYS 19 6.857 -8.895 7.626 167 HG2 LYS 19 2HG LYS 19 6.779 -6.034 6.743 168 HG3 LYS 19 1HG LYS 19 6.505 -6.541 8.404 169 HD2 LYS 19 2HD LYS 19 8.716 -7.644 8.395 170 HD3 LYS 19 1HD LYS 19 8.989 -7.004 6.773 171 HE2 LYS 19 2HE LYS 19 8.877 -4.745 7.585 172 HE3 LYS 19 1HE LYS 19 8.407 -5.301 9.191 173 HZ1 LYS 19 3HZ LYS 19 11.013 -5.861 7.875 174 HZ2 LYS 19 1HZ LYS 19 10.561 -6.346 9.435 175 HZ3 LYS 19 2HZ LYS 19 10.753 -4.702 9.088 176 H GLU 20 H GLU 20 4.701 -9.718 5.263 177 HA GLU 20 HA GLU 20 5.531 -12.356 5.706 178 HB2 GLU 20 2HB GLU 20 3.153 -10.931 5.218 179 HB3 GLU 20 1HB GLU 20 3.232 -12.167 3.974 180 HG2 GLU 20 2HG GLU 20 3.654 -12.848 6.856 181 HG3 GLU 20 1HG GLU 20 2.033 -12.687 6.186 182 H VAL 21 H VAL 21 5.042 -10.496 2.732 183 HA VAL 21 HA VAL 21 5.618 -12.621 0.939 184 HB VAL 21 HB VAL 21 5.866 -9.639 0.468 185 HG11 VAL 21 1HG1 VAL 21 7.064 -10.913 -1.212 186 HG12 VAL 21 2HG1 VAL 21 5.601 -10.218 -1.909 187 HG13 VAL 21 3HG1 VAL 21 5.647 -11.929 -1.483 188 HG21 VAL 21 3HG2 VAL 21 3.625 -10.180 1.169 189 HG22 VAL 21 1HG2 VAL 21 3.553 -11.517 0.024 190 HG23 VAL 21 2HG2 VAL 21 3.624 -9.857 -0.565 191 H LEU 22 H LEU 22 7.611 -10.026 2.318 192 HA LEU 22 HA LEU 22 9.947 -10.534 0.847 193 HB2 LEU 22 2HB LEU 22 9.469 -8.536 2.301 194 HB3 LEU 22 1HB LEU 22 9.810 -9.545 3.693 195 HG LEU 22 HG LEU 22 12.110 -9.901 2.832 196 HD11 LEU 22 1HD1 LEU 22 11.662 -9.544 0.464 197 HD12 LEU 22 2HD1 LEU 22 12.940 -8.467 1.037 198 HD13 LEU 22 3HD1 LEU 22 11.308 -7.845 0.783 199 HD21 LEU 22 3HD2 LEU 22 11.277 -7.032 3.222 200 HD22 LEU 22 1HD2 LEU 22 12.929 -7.639 3.343 201 HD23 LEU 22 2HD2 LEU 22 11.702 -8.183 4.490 202 H LYS 23 H LYS 23 8.704 -11.904 3.823 203 HA LYS 23 HA LYS 23 10.928 -13.533 4.480 204 HB2 LYS 23 2HB LYS 23 8.936 -12.880 5.920 205 HB3 LYS 23 1HB LYS 23 8.010 -14.077 5.048 206 HG2 LYS 23 2HG LYS 23 10.522 -14.795 6.525 207 HG3 LYS 23 1HG LYS 23 8.942 -14.750 7.310 208 HD2 LYS 23 2HD LYS 23 8.152 -16.318 5.474 209 HD3 LYS 23 1HD LYS 23 9.854 -16.524 5.056 210 HE2 LYS 23 2HE LYS 23 9.070 -18.300 6.539 211 HE3 LYS 23 1HE LYS 23 10.318 -17.322 7.314 212 HZ1 LYS 23 3HZ LYS 23 8.324 -17.872 8.708 213 HZ2 LYS 23 1HZ LYS 23 7.421 -16.835 7.716 214 HZ3 LYS 23 2HZ LYS 23 8.719 -16.225 8.628 215 H LYS 24 H LYS 24 7.887 -14.180 2.842 216 HA LYS 24 HA LYS 24 8.425 -16.888 2.262 217 HB2 LYS 24 2HB LYS 24 6.383 -14.908 1.373 218 HB3 LYS 24 1HB LYS 24 6.495 -16.453 0.540 219 HG2 LYS 24 2HG LYS 24 6.135 -17.640 2.610 220 HG3 LYS 24 1HG LYS 24 6.151 -16.126 3.513 221 HD2 LYS 24 2HD LYS 24 4.136 -15.394 2.422 222 HD3 LYS 24 1HD LYS 24 4.158 -16.803 1.358 223 HE2 LYS 24 2HE LYS 24 3.798 -18.281 3.226 224 HE3 LYS 24 1HE LYS 24 3.935 -16.940 4.363 225 HZ1 LYS 24 3HZ LYS 24 1.838 -17.156 2.274 226 HZ2 LYS 24 1HZ LYS 24 1.946 -15.983 3.501 227 HZ3 LYS 24 2HZ LYS 24 1.626 -17.599 3.899 228 H ALA 25 H ALA 25 9.324 -13.990 0.595 229 HA ALA 25 HA ALA 25 9.865 -15.035 -1.949 230 HB1 ALA 25 1HB ALA 25 9.926 -12.640 -1.438 231 HB2 ALA 25 2HB ALA 25 11.426 -13.176 -2.199 232 HB3 ALA 25 3HB ALA 25 11.374 -12.887 -0.458 233 H LYS 26 H LYS 26 11.504 -15.400 1.080 234 HA LYS 26 HA LYS 26 13.986 -16.358 0.081 235 HB2 LYS 26 2HB LYS 26 12.614 -16.674 2.750 236 HB3 LYS 26 1HB LYS 26 14.232 -17.276 2.419 237 HG2 LYS 26 2HG LYS 26 13.460 -14.391 2.089 238 HG3 LYS 26 1HG LYS 26 14.095 -15.060 3.593 239 HD2 LYS 26 2HD LYS 26 15.496 -15.146 0.920 240 HD3 LYS 26 1HD LYS 26 15.852 -14.006 2.220 241 HE2 LYS 26 2HE LYS 26 16.448 -15.861 3.691 242 HE3 LYS 26 1HE LYS 26 16.068 -17.008 2.409 243 HZ1 LYS 26 3HZ LYS 26 18.230 -14.970 2.365 244 HZ2 LYS 26 1HZ LYS 26 17.836 -15.995 1.069 245 HZ3 LYS 26 2HZ LYS 26 18.424 -16.648 2.514 246 H GLU 27 H GLU 27 10.884 -17.802 0.644 247 HA GLU 27 HA GLU 27 11.773 -20.506 0.804 248 HB2 GLU 27 2HB GLU 27 9.022 -19.513 0.045 249 HB3 GLU 27 1HB GLU 27 9.437 -21.096 0.689 250 HG2 GLU 27 2HG GLU 27 9.650 -18.471 2.153 251 HG3 GLU 27 1HG GLU 27 8.408 -19.698 2.386 252 H GLY 28 H GLY 28 10.580 -18.424 -1.786 253 HA2 GLY 28 2HA GLY 28 11.231 -18.485 -4.010 254 HA3 GLY 28 1HA GLY 28 12.103 -19.972 -3.681 255 H ASP 29 H ASP 29 8.748 -19.774 -2.808 256 HA ASP 29 HA ASP 29 8.131 -21.704 -4.912 257 HB2 ASP 29 2HB ASP 29 7.410 -22.275 -2.637 258 HB3 ASP 29 1HB ASP 29 6.456 -20.794 -2.561 259 H GLU 30 H GLU 30 7.101 -21.163 -6.710 260 HA GLU 30 HA GLU 30 6.558 -18.434 -7.253 261 HB2 GLU 30 2HB GLU 30 5.927 -20.914 -8.855 262 HB3 GLU 30 1HB GLU 30 5.749 -19.272 -9.453 263 HG2 GLU 30 2HG GLU 30 8.162 -18.914 -9.131 264 HG3 GLU 30 1HG GLU 30 8.316 -20.588 -8.594 265 H GLN 31 H GLN 31 4.506 -21.223 -6.559 266 HA GLN 31 HA GLN 31 2.038 -20.017 -7.193 267 HB2 GLN 31 2HB GLN 31 2.682 -22.193 -5.200 268 HB3 GLN 31 1HB GLN 31 1.056 -21.751 -5.697 269 HG2 GLN 31 2HG GLN 31 1.525 -22.416 -7.965 270 HG3 GLN 31 1HG GLN 31 3.203 -22.761 -7.544 271 HE21 GLN 31 1HE2 GLN 31 -0.099 -23.817 -7.262 272 HE22 GLN 31 2HE2 GLN 31 0.251 -25.410 -6.694 273 H GLU 32 H GLU 32 3.831 -20.252 -4.147 274 HA GLU 32 HA GLU 32 2.034 -18.862 -2.515 275 HB2 GLU 32 2HB GLU 32 4.055 -20.175 -1.781 276 HB3 GLU 32 1HB GLU 32 5.050 -18.823 -2.303 277 HG2 GLU 32 2HG GLU 32 4.749 -18.698 0.064 278 HG3 GLU 32 1HG GLU 32 3.858 -17.377 -0.690 279 H LEU 33 H LEU 33 4.795 -17.672 -4.416 280 HA LEU 33 HA LEU 33 4.560 -14.968 -3.688 281 HB2 LEU 33 2HB LEU 33 5.663 -16.199 -6.210 282 HB3 LEU 33 1HB LEU 33 5.861 -14.517 -5.758 283 HG LEU 33 HG LEU 33 6.923 -16.871 -4.187 284 HD11 LEU 33 1HD1 LEU 33 9.116 -16.129 -4.951 285 HD12 LEU 33 2HD1 LEU 33 8.356 -14.874 -5.935 286 HD13 LEU 33 3HD1 LEU 33 8.086 -16.577 -6.313 287 HD21 LEU 33 3HD2 LEU 33 6.387 -14.972 -2.763 288 HD22 LEU 33 1HD2 LEU 33 7.307 -13.903 -3.820 289 HD23 LEU 33 2HD2 LEU 33 8.132 -15.167 -2.908 290 H ALA 34 H ALA 34 3.112 -16.799 -6.348 291 HA ALA 34 HA ALA 34 1.848 -14.610 -7.616 292 HB1 ALA 34 1HB ALA 34 2.174 -16.802 -8.686 293 HB2 ALA 34 2HB ALA 34 0.494 -16.270 -8.755 294 HB3 ALA 34 3HB ALA 34 0.981 -17.502 -7.587 295 H ARG 35 H ARG 35 0.931 -16.692 -4.954 296 HA ARG 35 HA ARG 35 -1.758 -15.816 -4.716 297 HB2 ARG 35 2HB ARG 35 -0.384 -17.826 -3.602 298 HB3 ARG 35 1HB ARG 35 -0.234 -16.655 -2.298 299 HG2 ARG 35 2HG ARG 35 -2.155 -17.598 -1.615 300 HG3 ARG 35 1HG ARG 35 -2.870 -16.472 -2.771 301 HD2 ARG 35 2HD ARG 35 -2.222 -19.381 -3.196 302 HD3 ARG 35 1HD ARG 35 -3.816 -18.636 -3.161 303 HE ARG 35 HE ARG 35 -2.927 -17.381 -5.227 304 HH11 ARG 35 1HH1 ARG 35 -2.043 -20.652 -4.351 305 HH12 ARG 35 2HH1 ARG 35 -1.849 -21.179 -5.990 306 HH21 ARG 35 1HH2 ARG 35 -2.608 -18.040 -7.379 307 HH22 ARG 35 2HH2 ARG 35 -2.151 -19.685 -7.724 308 H LEU 36 H LEU 36 1.268 -14.892 -3.164 309 HA LEU 36 HA LEU 36 0.258 -12.910 -1.449 310 HB2 LEU 36 2HB LEU 36 2.983 -13.180 -2.721 311 HB3 LEU 36 1HB LEU 36 2.601 -12.108 -1.388 312 HG LEU 36 HG LEU 36 2.332 -15.110 -1.263 313 HD11 LEU 36 1HD1 LEU 36 4.385 -15.033 0.091 314 HD12 LEU 36 2HD1 LEU 36 4.553 -13.323 -0.301 315 HD13 LEU 36 3HD1 LEU 36 4.657 -14.533 -1.579 316 HD21 LEU 36 3HD2 LEU 36 0.893 -13.893 0.293 317 HD22 LEU 36 1HD2 LEU 36 2.291 -12.998 0.890 318 HD23 LEU 36 2HD2 LEU 36 2.185 -14.739 1.145 319 H ASN 37 H ASN 37 1.558 -12.735 -4.732 320 HA ASN 37 HA ASN 37 1.513 -9.971 -5.081 321 HB2 ASN 37 2HB ASN 37 2.581 -11.474 -6.686 322 HB3 ASN 37 1HB ASN 37 1.017 -12.154 -7.123 323 HD21 ASN 37 1HD2 ASN 37 3.103 -9.368 -7.367 324 HD22 ASN 37 2HD2 ASN 37 2.258 -8.615 -8.670 325 H GLN 38 H GLN 38 -1.026 -12.368 -5.753 326 HA GLN 38 HA GLN 38 -3.022 -10.681 -6.653 327 HB2 GLN 38 2HB GLN 38 -2.757 -13.321 -6.281 328 HB3 GLN 38 1HB GLN 38 -3.732 -12.950 -4.869 329 HG2 GLN 38 2HG GLN 38 -4.676 -11.830 -7.410 330 HG3 GLN 38 1HG GLN 38 -4.715 -13.581 -7.264 331 HE21 GLN 38 1HE2 GLN 38 -6.048 -14.533 -5.735 332 HE22 GLN 38 2HE2 GLN 38 -7.340 -13.670 -4.972 333 H GLU 39 H GLU 39 -2.112 -11.556 -3.350 334 HA GLU 39 HA GLU 39 -4.266 -10.239 -2.071 335 HB2 GLU 39 2HB GLU 39 -2.739 -12.029 -1.104 336 HB3 GLU 39 1HB GLU 39 -1.542 -10.761 -0.884 337 HG2 GLU 39 2HG GLU 39 -2.670 -11.086 1.182 338 HG3 GLU 39 1HG GLU 39 -3.185 -9.536 0.514 339 H ILE 40 H ILE 40 -0.961 -9.246 -2.884 340 HA ILE 40 HA ILE 40 -0.993 -6.754 -1.587 341 HB ILE 40 HB ILE 40 0.525 -7.567 -4.073 342 HG12 ILE 40 2HG1 ILE 40 1.370 -7.487 -1.166 343 HG13 ILE 40 1HG1 ILE 40 1.006 -8.946 -2.082 344 HG21 ILE 40 1HG2 ILE 40 2.021 -5.705 -3.573 345 HG22 ILE 40 2HG2 ILE 40 0.987 -5.230 -2.224 346 HG23 ILE 40 3HG2 ILE 40 0.377 -5.137 -3.877 347 HD11 ILE 40 3HD1 ILE 40 3.245 -7.018 -2.670 348 HD12 ILE 40 1HD1 ILE 40 2.891 -8.502 -3.556 349 HD13 ILE 40 2HD1 ILE 40 3.406 -8.582 -1.871 350 H VAL 41 H VAL 41 -1.739 -7.582 -4.974 351 HA VAL 41 HA VAL 41 -2.423 -4.983 -5.796 352 HB VAL 41 HB VAL 41 -3.490 -7.610 -6.855 353 HG11 VAL 41 1HG1 VAL 41 -4.852 -5.737 -7.591 354 HG12 VAL 41 2HG1 VAL 41 -3.895 -6.364 -8.933 355 HG13 VAL 41 3HG1 VAL 41 -3.409 -4.873 -8.125 356 HG21 VAL 41 3HG2 VAL 41 -1.069 -7.550 -6.920 357 HG22 VAL 41 1HG2 VAL 41 -1.103 -5.966 -7.697 358 HG23 VAL 41 2HG2 VAL 41 -1.719 -7.381 -8.551 359 H LYS 42 H LYS 42 -4.287 -7.556 -4.308 360 HA LYS 42 HA LYS 42 -6.843 -6.403 -4.484 361 HB2 LYS 42 2HB LYS 42 -6.513 -8.736 -3.899 362 HB3 LYS 42 1HB LYS 42 -5.657 -8.283 -2.434 363 HG2 LYS 42 2HG LYS 42 -7.840 -8.968 -1.822 364 HG3 LYS 42 1HG LYS 42 -7.754 -7.218 -1.622 365 HD2 LYS 42 2HD LYS 42 -8.923 -6.889 -3.718 366 HD3 LYS 42 1HD LYS 42 -8.925 -8.630 -4.015 367 HE2 LYS 42 2HE LYS 42 -10.317 -7.191 -1.760 368 HE3 LYS 42 1HE LYS 42 -11.086 -7.922 -3.168 369 HZ1 LYS 42 3HZ LYS 42 -10.233 -10.089 -2.431 370 HZ2 LYS 42 1HZ LYS 42 -11.261 -9.384 -1.277 371 HZ3 LYS 42 2HZ LYS 42 -9.583 -9.365 -1.041 372 H ALA 43 H ALA 43 -4.369 -6.208 -1.940 373 HA ALA 43 HA ALA 43 -5.924 -4.677 -0.146 374 HB1 ALA 43 1HB ALA 43 -3.852 -4.313 1.059 375 HB2 ALA 43 2HB ALA 43 -2.923 -4.883 -0.327 376 HB3 ALA 43 3HB ALA 43 -3.978 -5.996 0.547 377 H GLU 44 H GLU 44 -3.416 -3.760 -2.489 378 HA GLU 44 HA GLU 44 -3.357 -1.029 -1.904 379 HB2 GLU 44 2HB GLU 44 -2.824 -2.448 -4.520 380 HB3 GLU 44 1HB GLU 44 -2.428 -0.766 -4.203 381 HG2 GLU 44 2HG GLU 44 -1.325 -3.113 -2.672 382 HG3 GLU 44 1HG GLU 44 -0.501 -2.285 -3.993 383 H LYS 45 H LYS 45 -5.326 -2.816 -4.270 384 HA LYS 45 HA LYS 45 -6.609 -0.555 -5.368 385 HB2 LYS 45 2HB LYS 45 -6.624 -2.735 -6.485 386 HB3 LYS 45 1HB LYS 45 -7.598 -3.409 -5.184 387 HG2 LYS 45 2HG LYS 45 -9.438 -1.948 -5.757 388 HG3 LYS 45 1HG LYS 45 -8.462 -1.173 -7.008 389 HD2 LYS 45 2HD LYS 45 -8.320 -3.285 -8.217 390 HD3 LYS 45 1HD LYS 45 -9.262 -4.081 -6.957 391 HE2 LYS 45 2HE LYS 45 -11.168 -2.667 -7.446 392 HE3 LYS 45 1HE LYS 45 -10.231 -1.778 -8.643 393 HZ1 LYS 45 3HZ LYS 45 -10.903 -4.667 -8.795 394 HZ2 LYS 45 1HZ LYS 45 -10.053 -3.774 -9.962 395 HZ3 LYS 45 2HZ LYS 45 -11.686 -3.433 -9.654 396 H GLN 46 H GLN 46 -7.434 -2.667 -2.663 397 HA GLN 46 HA GLN 46 -9.942 -1.559 -2.030 398 HB2 GLN 46 2HB GLN 46 -9.086 -3.667 -1.085 399 HB3 GLN 46 1HB GLN 46 -7.871 -2.775 -0.191 400 HG2 GLN 46 2HG GLN 46 -9.753 -3.444 1.217 401 HG3 GLN 46 1HG GLN 46 -9.574 -1.693 1.132 402 HE21 GLN 46 1HE2 GLN 46 -11.721 -1.394 1.759 403 HE22 GLN 46 2HE2 GLN 46 -13.045 -1.682 0.680 404 H GLY 47 H GLY 47 -6.681 -0.803 -0.903 405 HA2 GLY 47 2HA GLY 47 -7.292 1.306 0.827 406 HA3 GLY 47 1HA GLY 47 -5.771 1.112 -0.033 407 H VAL 48 H VAL 48 -6.776 1.313 -2.671 408 HA VAL 48 HA VAL 48 -6.631 4.053 -3.107 409 HB VAL 48 HB VAL 48 -7.746 1.868 -4.872 410 HG11 VAL 48 1HG1 VAL 48 -7.157 4.736 -5.598 411 HG12 VAL 48 2HG1 VAL 48 -8.737 3.948 -5.612 412 HG13 VAL 48 3HG1 VAL 48 -7.489 3.444 -6.750 413 HG21 VAL 48 3HG2 VAL 48 -5.371 1.693 -4.327 414 HG22 VAL 48 1HG2 VAL 48 -5.114 3.336 -4.915 415 HG23 VAL 48 2HG2 VAL 48 -5.614 2.068 -6.033 416 H LYS 49 H LYS 49 -9.513 1.987 -2.857 417 HA LYS 49 HA LYS 49 -11.377 4.023 -3.480 418 HB2 LYS 49 2HB LYS 49 -11.833 1.536 -3.443 419 HB3 LYS 49 1HB LYS 49 -11.891 1.649 -1.688 420 HG2 LYS 49 2HG LYS 49 -13.711 3.303 -1.887 421 HG3 LYS 49 1HG LYS 49 -13.694 3.072 -3.637 422 HD2 LYS 49 2HD LYS 49 -14.190 0.673 -3.279 423 HD3 LYS 49 1HD LYS 49 -14.311 0.989 -1.546 424 HE2 LYS 49 2HE LYS 49 -16.113 2.625 -2.013 425 HE3 LYS 49 1HE LYS 49 -16.028 2.185 -3.718 426 HZ1 LYS 49 3HZ LYS 49 -16.778 0.413 -1.462 427 HZ2 LYS 49 1HZ LYS 49 -16.559 -0.116 -3.060 428 HZ3 LYS 49 2HZ LYS 49 -17.798 0.983 -2.696 429 H VAL 50 H VAL 50 -9.953 2.907 -0.456 430 HA VAL 50 HA VAL 50 -11.508 4.501 1.289 431 HB VAL 50 HB VAL 50 -8.672 3.540 1.735 432 HG11 VAL 50 1HG1 VAL 50 -9.262 3.647 4.115 433 HG12 VAL 50 2HG1 VAL 50 -10.834 4.319 3.689 434 HG13 VAL 50 3HG1 VAL 50 -9.364 5.226 3.339 435 HG21 VAL 50 3HG2 VAL 50 -9.680 1.595 2.827 436 HG22 VAL 50 1HG2 VAL 50 -10.116 1.679 1.122 437 HG23 VAL 50 2HG2 VAL 50 -11.281 2.160 2.356 438 H TYR 51 H TYR 51 -8.459 5.076 -0.404 439 HA TYR 51 HA TYR 51 -7.969 7.636 0.691 440 HB2 TYR 51 2HB TYR 51 -7.018 6.224 -1.781 441 HB3 TYR 51 1HB TYR 51 -6.626 7.920 -1.519 442 HD1 TYR 51 1HD TYR 51 -5.184 8.593 0.323 443 HD2 TYR 51 2HD TYR 51 -5.996 4.492 -0.431 444 HE1 TYR 51 1HE TYR 51 -3.309 7.965 1.777 445 HE2 TYR 51 2HE TYR 51 -4.121 3.847 1.016 446 HH TYR 51 HH TYR 51 -2.319 4.588 2.135 447 H LYS 52 H LYS 52 -9.785 6.548 -2.133 448 HA LYS 52 HA LYS 52 -10.507 9.024 -3.207 449 HB2 LYS 52 2HB LYS 52 -11.082 7.002 -4.366 450 HB3 LYS 52 1HB LYS 52 -12.023 6.420 -3.009 451 HG2 LYS 52 2HG LYS 52 -13.629 8.262 -3.374 452 HG3 LYS 52 1HG LYS 52 -12.710 8.736 -4.805 453 HD2 LYS 52 2HD LYS 52 -13.231 6.726 -5.927 454 HD3 LYS 52 1HD LYS 52 -13.806 5.958 -4.448 455 HE2 LYS 52 2HE LYS 52 -15.685 6.562 -5.839 456 HE3 LYS 52 1HE LYS 52 -15.683 7.550 -4.380 457 HZ1 LYS 52 3HZ LYS 52 -16.182 8.815 -6.402 458 HZ2 LYS 52 1HZ LYS 52 -14.655 8.433 -7.024 459 HZ3 LYS 52 2HZ LYS 52 -14.795 9.388 -5.622 460 H GLU 53 H GLU 53 -12.062 7.091 -0.698 461 HA GLU 53 HA GLU 53 -14.176 8.774 -0.064 462 HB2 GLU 53 2HB GLU 53 -12.657 6.644 1.336 463 HB3 GLU 53 1HB GLU 53 -13.680 7.671 2.317 464 HG2 GLU 53 2HG GLU 53 -14.652 6.205 -0.113 465 HG3 GLU 53 1HG GLU 53 -14.741 5.559 1.526 466 H ALA 54 H ALA 54 -10.918 8.662 1.350 467 HA ALA 54 HA ALA 54 -11.409 10.736 3.218 468 HB1 ALA 54 1HB ALA 54 -9.646 9.074 3.541 469 HB2 ALA 54 2HB ALA 54 -9.002 10.715 3.601 470 HB3 ALA 54 3HB ALA 54 -8.770 9.729 2.157 471 H ALA 55 H ALA 55 -10.150 10.725 -0.066 472 HA ALA 55 HA ALA 55 -9.258 13.413 -0.091 473 HB1 ALA 55 1HB ALA 55 -9.249 13.197 -2.520 474 HB2 ALA 55 2HB ALA 55 -10.170 11.695 -2.395 475 HB3 ALA 55 3HB ALA 55 -8.530 11.782 -1.750 476 H GLU 56 H GLU 56 -12.367 11.910 -0.781 477 HA GLU 56 HA GLU 56 -13.518 14.392 -1.730 478 HB2 GLU 56 2HB GLU 56 -14.887 11.772 -1.088 479 HB3 GLU 56 1HB GLU 56 -15.570 13.108 -2.003 480 HG2 GLU 56 2HG GLU 56 -13.916 12.782 -3.752 481 HG3 GLU 56 1HG GLU 56 -13.181 11.476 -2.828 482 H LYS 57 H LYS 57 -13.461 12.474 1.176 483 HA LYS 57 HA LYS 57 -15.329 14.219 2.550 484 HB2 LYS 57 2HB LYS 57 -13.882 11.697 3.227 485 HB3 LYS 57 1HB LYS 57 -14.611 12.649 4.505 486 HG2 LYS 57 2HG LYS 57 -16.739 12.165 3.839 487 HG3 LYS 57 1HG LYS 57 -16.284 11.985 2.144 488 HD2 LYS 57 2HD LYS 57 -16.946 9.851 3.191 489 HD3 LYS 57 1HD LYS 57 -15.286 9.834 2.599 490 HE2 LYS 57 2HE LYS 57 -14.482 10.250 4.878 491 HE3 LYS 57 1HE LYS 57 -16.149 10.244 5.458 492 HZ1 LYS 57 3HZ LYS 57 -14.985 8.109 5.790 493 HZ2 LYS 57 1HZ LYS 57 -14.837 7.948 4.110 494 HZ3 LYS 57 2HZ LYS 57 -16.366 7.959 4.824 495 H ALA 58 H ALA 58 -12.384 14.767 1.595 496 HA ALA 58 HA ALA 58 -11.054 15.558 3.985 497 HB1 ALA 58 1HB ALA 58 -9.487 16.692 2.503 498 HB2 ALA 58 2HB ALA 58 -10.574 16.431 1.139 499 HB3 ALA 58 3HB ALA 58 -9.818 15.054 1.942 500 H ARG 59 H ARG 59 -12.089 16.967 5.236 501 HA ARG 59 HA ARG 59 -13.576 19.198 4.300 502 HB2 ARG 59 2HB ARG 59 -13.908 18.142 6.518 503 HB3 ARG 59 1HB ARG 59 -12.323 18.715 7.013 504 HG2 ARG 59 2HG ARG 59 -13.047 21.001 6.886 505 HG3 ARG 59 1HG ARG 59 -14.607 20.510 6.217 506 HD2 ARG 59 2HD ARG 59 -15.085 19.276 8.285 507 HD3 ARG 59 1HD ARG 59 -13.538 19.801 8.947 508 HE ARG 59 HE ARG 59 -14.469 22.133 8.696 509 HH11 ARG 59 1HH1 ARG 59 -16.544 19.346 9.146 510 HH12 ARG 59 2HH1 ARG 59 -17.809 20.255 9.916 511 HH21 ARG 59 1HH2 ARG 59 -16.149 23.324 9.706 512 HH22 ARG 59 2HH2 ARG 59 -17.584 22.495 10.227 513 H ASN 60 H ASN 60 -10.294 18.760 5.509 514 HA ASN 60 HA ASN 60 -9.614 21.519 4.894 515 HB2 ASN 60 2HB ASN 60 -8.702 20.754 6.962 516 HB3 ASN 60 1HB ASN 60 -8.092 19.274 6.226 517 HD21 ASN 60 1HD2 ASN 60 -7.633 22.720 6.534 518 HD22 ASN 60 2HD2 ASN 60 -6.005 22.749 5.954 519 HA PRO 61 HA PRO 61 -8.516 20.336 0.777 520 HB2 PRO 61 2HB PRO 61 -7.255 22.677 0.111 521 HB3 PRO 61 1HB PRO 61 -9.007 22.452 0.100 522 HG2 PRO 61 2HG PRO 61 -7.268 23.715 2.176 523 HG3 PRO 61 1HG PRO 61 -8.862 24.222 1.587 524 HD2 PRO 61 2HD PRO 61 -8.543 22.930 3.931 525 HD3 PRO 61 1HD PRO 61 -9.975 22.694 2.909 526 H GLU 62 H GLU 62 -6.089 21.648 3.014 527 HA GLU 62 HA GLU 62 -3.829 21.084 1.469 528 HB2 GLU 62 2HB GLU 62 -4.315 21.410 4.409 529 HB3 GLU 62 1HB GLU 62 -2.733 21.026 3.790 530 HG2 GLU 62 2HG GLU 62 -2.934 23.392 4.208 531 HG3 GLU 62 1HG GLU 62 -2.728 23.085 2.486 532 H LYS 63 H LYS 63 -5.550 19.208 3.911 533 HA LYS 63 HA LYS 63 -3.826 16.973 3.882 534 HB2 LYS 63 2HB LYS 63 -5.568 17.495 5.639 535 HB3 LYS 63 1HB LYS 63 -6.788 16.943 4.499 536 HG2 LYS 63 2HG LYS 63 -5.585 14.745 4.422 537 HG3 LYS 63 1HG LYS 63 -4.583 15.325 5.752 538 HD2 LYS 63 2HD LYS 63 -6.333 14.019 6.707 539 HD3 LYS 63 1HD LYS 63 -6.717 15.711 7.044 540 HE2 LYS 63 2HE LYS 63 -8.275 15.743 5.169 541 HE3 LYS 63 1HE LYS 63 -7.862 14.071 4.786 542 HZ1 LYS 63 3HZ LYS 63 -8.721 13.438 6.995 543 HZ2 LYS 63 1HZ LYS 63 -9.901 14.129 6.003 544 HZ3 LYS 63 2HZ LYS 63 -9.211 15.039 7.246 545 H ARG 64 H ARG 64 -6.547 17.928 1.890 546 HA ARG 64 HA ARG 64 -7.110 15.442 0.723 547 HB2 ARG 64 2HB ARG 64 -8.633 17.343 0.487 548 HB3 ARG 64 1HB ARG 64 -7.439 18.197 -0.484 549 HG2 ARG 64 2HG ARG 64 -7.557 16.335 -2.138 550 HG3 ARG 64 1HG ARG 64 -8.889 15.659 -1.203 551 HD2 ARG 64 2HD ARG 64 -10.240 17.597 -1.614 552 HD3 ARG 64 1HD ARG 64 -8.884 18.438 -2.369 553 HE ARG 64 HE ARG 64 -10.460 16.256 -3.528 554 HH11 ARG 64 1HH1 ARG 64 -7.847 18.568 -3.829 555 HH12 ARG 64 2HH1 ARG 64 -7.711 18.377 -5.551 556 HH21 ARG 64 1HH2 ARG 64 -10.282 16.002 -5.800 557 HH22 ARG 64 2HH2 ARG 64 -9.090 16.921 -6.675 558 H GLN 65 H GLN 65 -4.822 17.991 -0.246 559 HA GLN 65 HA GLN 65 -4.124 16.773 -2.714 560 HB2 GLN 65 2HB GLN 65 -3.687 19.160 -2.144 561 HB3 GLN 65 1HB GLN 65 -2.426 18.629 -1.044 562 HG2 GLN 65 2HG GLN 65 -1.085 17.820 -2.783 563 HG3 GLN 65 1HG GLN 65 -2.408 17.889 -3.947 564 HE21 GLN 65 1HE2 GLN 65 -0.018 19.711 -2.200 565 HE22 GLN 65 2HE2 GLN 65 -0.140 21.150 -3.163 566 H VAL 66 H VAL 66 -2.724 16.635 0.511 567 HA VAL 66 HA VAL 66 -0.532 14.992 -0.076 568 HB VAL 66 HB VAL 66 -2.178 14.982 2.463 569 HG11 VAL 66 1HG1 VAL 66 0.667 14.112 1.969 570 HG12 VAL 66 2HG1 VAL 66 -0.701 13.052 2.299 571 HG13 VAL 66 3HG1 VAL 66 -0.136 14.170 3.539 572 HG21 VAL 66 3HG2 VAL 66 -1.420 17.227 1.923 573 HG22 VAL 66 1HG2 VAL 66 0.230 16.639 1.714 574 HG23 VAL 66 2HG2 VAL 66 -0.528 16.596 3.305 575 H ILE 67 H ILE 67 -3.847 14.147 0.869 576 HA ILE 67 HA ILE 67 -3.555 11.347 0.739 577 HB ILE 67 HB ILE 67 -6.018 13.066 0.362 578 HG12 ILE 67 2HG1 ILE 67 -4.995 11.530 2.764 579 HG13 ILE 67 1HG1 ILE 67 -4.902 13.276 2.559 580 HG21 ILE 67 1HG2 ILE 67 -6.294 10.822 -0.629 581 HG22 ILE 67 2HG2 ILE 67 -7.329 11.075 0.776 582 HG23 ILE 67 3HG2 ILE 67 -5.865 10.110 0.925 583 HD11 ILE 67 3HD1 ILE 67 -7.337 13.400 2.546 584 HD12 ILE 67 1HD1 ILE 67 -6.726 12.659 4.025 585 HD13 ILE 67 2HD1 ILE 67 -7.425 11.650 2.758 586 H ASP 68 H ASP 68 -4.514 13.741 -1.673 587 HA ASP 68 HA ASP 68 -5.224 11.999 -3.751 588 HB2 ASP 68 2HB ASP 68 -5.734 14.391 -3.796 589 HB3 ASP 68 1HB ASP 68 -4.024 14.774 -3.899 590 H LYS 69 H LYS 69 -2.108 13.502 -2.964 591 HA LYS 69 HA LYS 69 -0.636 12.363 -5.074 592 HB2 LYS 69 2HB LYS 69 0.255 14.184 -3.708 593 HB3 LYS 69 1HB LYS 69 0.316 13.124 -2.307 594 HG2 LYS 69 2HG LYS 69 1.983 11.742 -3.380 595 HG3 LYS 69 1HG LYS 69 1.881 12.715 -4.847 596 HD2 LYS 69 2HD LYS 69 2.699 14.661 -3.627 597 HD3 LYS 69 1HD LYS 69 2.764 13.711 -2.141 598 HE2 LYS 69 2HE LYS 69 4.442 12.259 -3.096 599 HE3 LYS 69 1HE LYS 69 4.317 13.082 -4.648 600 HZ1 LYS 69 3HZ LYS 69 6.249 13.809 -3.384 601 HZ2 LYS 69 1HZ LYS 69 5.248 14.330 -2.116 602 HZ3 LYS 69 2HZ LYS 69 5.162 15.088 -3.631 603 H ILE 70 H ILE 70 -1.219 11.168 -1.775 604 HA ILE 70 HA ILE 70 0.284 8.791 -2.057 605 HB ILE 70 HB ILE 70 -2.075 9.249 -0.221 606 HG12 ILE 70 2HG1 ILE 70 0.889 9.626 0.280 607 HG13 ILE 70 1HG1 ILE 70 -0.266 10.932 0.043 608 HG21 ILE 70 1HG2 ILE 70 -1.514 6.890 -0.461 609 HG22 ILE 70 2HG2 ILE 70 -1.040 7.471 1.135 610 HG23 ILE 70 3HG2 ILE 70 0.182 7.240 -0.117 611 HD11 ILE 70 3HD1 ILE 70 -1.451 10.246 2.064 612 HD12 ILE 70 1HD1 ILE 70 0.241 10.617 2.394 613 HD13 ILE 70 2HD1 ILE 70 -0.291 8.939 2.297 614 H LEU 71 H LEU 71 -3.083 9.590 -2.719 615 HA LEU 71 HA LEU 71 -4.103 7.111 -3.417 616 HB2 LEU 71 2HB LEU 71 -4.873 9.787 -3.627 617 HB3 LEU 71 1HB LEU 71 -4.877 9.205 -5.278 618 HG LEU 71 HG LEU 71 -6.402 7.963 -3.002 619 HD11 LEU 71 1HD1 LEU 71 -8.382 8.865 -4.135 620 HD12 LEU 71 2HD1 LEU 71 -7.337 9.680 -5.299 621 HD13 LEU 71 3HD1 LEU 71 -7.294 10.145 -3.599 622 HD21 LEU 71 3HD2 LEU 71 -5.745 6.354 -4.732 623 HD22 LEU 71 1HD2 LEU 71 -6.471 7.389 -5.963 624 HD23 LEU 71 2HD2 LEU 71 -7.485 6.636 -4.732 625 H GLU 72 H GLU 72 -2.177 9.390 -5.320 626 HA GLU 72 HA GLU 72 -2.077 7.863 -7.700 627 HB2 GLU 72 2HB GLU 72 -1.440 10.263 -7.545 628 HB3 GLU 72 1HB GLU 72 -0.016 9.801 -6.627 629 HG2 GLU 72 2HG GLU 72 0.521 8.310 -8.669 630 HG3 GLU 72 1HG GLU 72 -0.624 9.350 -9.515 631 H ASP 73 H ASP 73 0.035 8.120 -4.885 632 HA ASP 73 HA ASP 73 2.106 6.471 -5.740 633 HB2 ASP 73 2HB ASP 73 1.089 6.986 -2.945 634 HB3 ASP 73 1HB ASP 73 2.559 6.084 -3.289 635 H GLU 74 H GLU 74 -0.854 5.555 -3.963 636 HA GLU 74 HA GLU 74 -0.056 2.836 -3.719 637 HB2 GLU 74 2HB GLU 74 -2.826 4.021 -3.537 638 HB3 GLU 74 1HB GLU 74 -2.376 2.397 -3.039 639 HG2 GLU 74 2HG GLU 74 -1.397 4.977 -1.839 640 HG3 GLU 74 1HG GLU 74 -2.543 3.853 -1.120 641 H GLU 75 H GLU 75 -2.205 4.499 -6.059 642 HA GLU 75 HA GLU 75 -2.824 2.289 -7.639 643 HB2 GLU 75 2HB GLU 75 -3.756 4.654 -7.703 644 HB3 GLU 75 1HB GLU 75 -2.302 5.124 -8.564 645 HG2 GLU 75 2HG GLU 75 -4.271 3.073 -9.534 646 HG3 GLU 75 1HG GLU 75 -4.259 4.772 -9.995 647 H LYS 76 H LYS 76 -0.084 4.488 -7.609 648 HA LYS 76 HA LYS 76 1.386 3.611 -9.805 649 HB2 LYS 76 2HB LYS 76 1.785 5.630 -8.389 650 HB3 LYS 76 1HB LYS 76 2.403 4.584 -7.126 651 HG2 LYS 76 2HG LYS 76 4.101 3.835 -8.938 652 HG3 LYS 76 1HG LYS 76 3.629 5.340 -9.734 653 HD2 LYS 76 2HD LYS 76 4.804 5.011 -6.975 654 HD3 LYS 76 1HD LYS 76 5.543 5.803 -8.366 655 HE2 LYS 76 2HE LYS 76 2.960 6.763 -7.175 656 HE3 LYS 76 1HE LYS 76 4.518 7.287 -6.547 657 HZ1 LYS 76 3HZ LYS 76 3.271 8.639 -8.396 658 HZ2 LYS 76 1HZ LYS 76 4.037 7.530 -9.428 659 HZ3 LYS 76 2HZ LYS 76 4.961 8.508 -8.396 660 H HIS 77 H HIS 77 1.314 2.441 -6.468 661 HA HIS 77 HA HIS 77 3.395 0.553 -6.667 662 HB2 HIS 77 2HB HIS 77 0.964 0.568 -4.861 663 HB3 HIS 77 1HB HIS 77 2.352 -0.495 -4.664 664 HD2 HIS 77 2HD HIS 77 4.372 2.250 -5.388 665 HE1 HIS 77 1HE HIS 77 2.999 3.286 -1.525 666 HE2 HIS 77 2HE HIS 77 4.735 3.766 -3.310 667 H ILE 78 H ILE 78 -0.046 0.375 -7.376 668 HA ILE 78 HA ILE 78 -0.184 -2.411 -7.832 669 HB ILE 78 HB ILE 78 -1.850 -0.255 -9.145 670 HG12 ILE 78 2HG1 ILE 78 -2.375 -1.802 -6.597 671 HG13 ILE 78 1HG1 ILE 78 -1.878 -0.116 -6.670 672 HG21 ILE 78 1HG2 ILE 78 -2.037 -2.420 -10.251 673 HG22 ILE 78 2HG2 ILE 78 -3.528 -2.029 -9.393 674 HG23 ILE 78 3HG2 ILE 78 -2.396 -3.193 -8.704 675 HD11 ILE 78 3HD1 ILE 78 -4.444 -1.240 -7.772 676 HD12 ILE 78 1HD1 ILE 78 -3.950 0.453 -7.814 677 HD13 ILE 78 2HD1 ILE 78 -4.269 -0.334 -6.269 678 H GLU 79 H GLU 79 0.403 0.343 -9.986 679 HA GLU 79 HA GLU 79 0.669 -1.085 -12.367 680 HB2 GLU 79 2HB GLU 79 1.518 1.587 -11.410 681 HB3 GLU 79 1HB GLU 79 2.297 0.967 -12.859 682 HG2 GLU 79 2HG GLU 79 -0.653 1.356 -12.429 683 HG3 GLU 79 1HG GLU 79 0.404 2.303 -13.477 684 H TRP 80 H TRP 80 3.093 -0.300 -9.908 685 HA TRP 80 HA TRP 80 5.329 -1.361 -11.227 686 HB2 TRP 80 2HB TRP 80 4.663 -1.255 -8.280 687 HB3 TRP 80 1HB TRP 80 6.232 -1.741 -8.912 688 HD1 TRP 80 HD TRP 80 5.496 0.867 -11.196 689 HE1 TRP 80 1HE TRP 80 6.395 3.160 -10.433 690 HE3 TRP 80 3HE TRP 80 6.292 -0.196 -6.264 691 HZ2 TRP 80 2HZ TRP 80 7.319 4.348 -8.040 692 HZ3 TRP 80 3HZ TRP 80 7.182 1.569 -4.799 693 HH2 TRP 80 HH TRP 80 7.687 3.798 -5.673 694 H HIS 81 H HIS 81 2.953 -2.883 -9.100 695 HA HIS 81 HA HIS 81 4.089 -5.475 -9.264 696 HB2 HIS 81 2HB HIS 81 1.556 -4.353 -8.173 697 HB3 HIS 81 1HB HIS 81 1.645 -6.092 -8.449 698 HD1 HIS 81 1HD HIS 81 3.423 -3.365 -6.475 699 HD2 HIS 81 2HD HIS 81 3.029 -7.501 -6.603 700 HE1 HIS 81 1HE HIS 81 4.696 -4.272 -4.475 701 H LYS 82 H LYS 82 1.766 -3.756 -11.232 702 HA LYS 82 HA LYS 82 0.745 -5.863 -12.756 703 HB2 LYS 82 2HB LYS 82 1.434 -3.014 -13.481 704 HB3 LYS 82 1HB LYS 82 0.683 -4.112 -14.627 705 HG2 LYS 82 2HG LYS 82 -0.603 -3.732 -11.974 706 HG3 LYS 82 1HG LYS 82 -0.734 -2.447 -13.174 707 HD2 LYS 82 2HD LYS 82 -1.486 -5.327 -13.647 708 HD3 LYS 82 1HD LYS 82 -2.627 -4.044 -13.243 709 HE2 LYS 82 2HE LYS 82 -0.830 -4.078 -15.669 710 HE3 LYS 82 1HE LYS 82 -2.536 -4.522 -15.665 711 HZ1 LYS 82 3HZ LYS 82 -3.145 -2.306 -15.098 712 HZ2 LYS 82 1HZ LYS 82 -2.080 -2.215 -16.413 713 HZ3 LYS 82 2HZ LYS 82 -1.533 -1.838 -14.848 714 H ALA 83 H ALA 83 3.710 -3.971 -13.174 715 HA ALA 83 HA ALA 83 4.641 -5.456 -15.423 716 HB1 ALA 83 1HB ALA 83 5.352 -3.149 -15.004 717 HB2 ALA 83 2HB ALA 83 6.729 -4.247 -15.124 718 HB3 ALA 83 3HB ALA 83 6.192 -3.678 -13.543 719 H ALA 84 H ALA 84 5.021 -5.721 -11.961 720 HA ALA 84 HA ALA 84 7.200 -7.545 -11.984 721 HB1 ALA 84 1HB ALA 84 5.159 -7.024 -9.831 722 HB2 ALA 84 2HB ALA 84 6.691 -6.178 -10.038 723 HB3 ALA 84 3HB ALA 84 6.680 -7.892 -9.623 724 H SER 85 H SER 85 3.731 -7.929 -12.176 725 HA SER 85 HA SER 85 3.592 -10.662 -11.511 726 HB2 SER 85 2HB SER 85 1.660 -9.030 -11.674 727 HB3 SER 85 1HB SER 85 1.766 -9.199 -13.427 728 HG SER 85 HG SER 85 0.708 -10.895 -11.557 729 H LYS 86 H LYS 86 4.584 -12.248 -12.498 730 HA LYS 86 HA LYS 86 5.236 -13.734 -14.066 731 HB2 LYS 86 2HB LYS 86 3.104 -13.372 -15.206 732 HB3 LYS 86 1HB LYS 86 3.774 -11.980 -16.045 733 HG2 LYS 86 2HG LYS 86 5.346 -13.396 -17.212 734 HG3 LYS 86 1HG LYS 86 4.781 -14.804 -16.314 735 HD2 LYS 86 2HD LYS 86 2.553 -14.523 -17.311 736 HD3 LYS 86 1HD LYS 86 3.151 -13.143 -18.233 737 HE2 LYS 86 2HE LYS 86 3.129 -15.142 -19.615 738 HE3 LYS 86 1HE LYS 86 4.784 -14.602 -19.340 739 HZ1 LYS 86 3HZ LYS 86 3.413 -16.828 -17.921 740 HZ2 LYS 86 1HZ LYS 86 4.993 -16.295 -17.606 741 HZ3 LYS 86 2HZ LYS 86 4.614 -16.989 -19.107 742 H GLN 87 H GLN 87 5.568 -10.412 -15.322 743 HA GLN 87 HA GLN 87 8.054 -11.095 -16.631 744 HB2 GLN 87 2HB GLN 87 6.460 -8.561 -16.396 745 HB3 GLN 87 1HB GLN 87 8.104 -8.532 -17.011 746 HG2 GLN 87 2HG GLN 87 6.760 -8.624 -18.906 747 HG3 GLN 87 1HG GLN 87 7.351 -10.269 -18.697 748 HE21 GLN 87 1HE2 GLN 87 4.805 -8.823 -16.780 749 HE22 GLN 87 2HE2 GLN 87 3.529 -9.816 -17.383 750 H GLY 88 H GLY 88 7.473 -10.802 -13.518 751 HA2 GLY 88 2HA GLY 88 9.844 -9.147 -12.946 752 HA3 GLY 88 1HA GLY 88 8.540 -9.458 -11.811 753 H ASN 89 H ASN 89 11.631 -10.250 -12.645 754 HA ASN 89 HA ASN 89 11.714 -12.986 -11.820 755 HB2 ASN 89 2HB ASN 89 13.468 -11.915 -13.218 756 HB3 ASN 89 1HB ASN 89 13.912 -10.893 -11.857 757 HD21 ASN 89 1HD2 ASN 89 16.014 -11.672 -11.871 758 HD22 ASN 89 2HD2 ASN 89 16.418 -13.270 -11.321 759 H ALA 90 H ALA 90 12.721 -13.751 -9.819 760 HA ALA 90 HA ALA 90 11.477 -12.756 -7.537 761 HB1 ALA 90 1HB ALA 90 13.950 -14.475 -7.691 762 HB2 ALA 90 2HB ALA 90 12.283 -15.051 -7.724 763 HB3 ALA 90 3HB ALA 90 12.920 -14.272 -6.275 764 H GLU 91 H GLU 91 14.665 -12.082 -8.850 765 HA GLU 91 HA GLU 91 15.766 -10.654 -6.716 766 HB2 GLU 91 2HB GLU 91 16.126 -10.327 -9.697 767 HB3 GLU 91 1HB GLU 91 17.156 -9.602 -8.482 768 HG2 GLU 91 2HG GLU 91 16.747 -12.560 -8.786 769 HG3 GLU 91 1HG GLU 91 18.066 -11.659 -9.534 770 H GLN 92 H GLN 92 13.915 -9.570 -9.522 771 HA GLN 92 HA GLN 92 13.902 -6.817 -8.884 772 HB2 GLN 92 2HB GLN 92 11.903 -8.350 -10.548 773 HB3 GLN 92 1HB GLN 92 12.195 -6.618 -10.596 774 HG2 GLN 92 2HG GLN 92 14.403 -6.976 -11.495 775 HG3 GLN 92 1HG GLN 92 14.207 -8.722 -11.347 776 HE21 GLN 92 1HE2 GLN 92 13.268 -5.869 -13.082 777 HE22 GLN 92 2HE2 GLN 92 12.531 -6.682 -14.425 778 H PHE 93 H PHE 93 11.647 -9.453 -8.247 779 HA PHE 93 HA PHE 93 9.511 -7.868 -7.327 780 HB2 PHE 93 2HB PHE 93 9.391 -10.279 -8.042 781 HB3 PHE 93 1HB PHE 93 10.112 -10.712 -6.495 782 HD1 PHE 93 1HD PHE 93 7.226 -8.851 -7.941 783 HD2 PHE 93 2HD PHE 93 8.734 -11.153 -4.693 784 HE1 PHE 93 1HE PHE 93 4.983 -8.885 -6.929 785 HE2 PHE 93 2HE PHE 93 6.493 -11.190 -3.675 786 HZ PHE 93 HZ PHE 93 4.613 -10.056 -4.794 787 H ALA 94 H ALA 94 12.165 -9.480 -5.611 788 HA ALA 94 HA ALA 94 11.392 -8.749 -3.001 789 HB1 ALA 94 1HB ALA 94 13.706 -9.221 -2.381 790 HB2 ALA 94 2HB ALA 94 14.170 -9.230 -4.082 791 HB3 ALA 94 3HB ALA 94 13.077 -10.465 -3.458 792 H SER 95 H SER 95 13.347 -7.118 -5.448 793 HA SER 95 HA SER 95 14.156 -4.947 -3.808 794 HB2 SER 95 2HB SER 95 15.251 -5.630 -5.969 795 HB3 SER 95 1HB SER 95 13.862 -4.965 -6.824 796 HG SER 95 HG SER 95 14.378 -2.927 -6.018 797 H LEU 96 H LEU 96 11.384 -5.534 -5.897 798 HA LEU 96 HA LEU 96 10.322 -2.918 -5.862 799 HB2 LEU 96 2HB LEU 96 9.639 -4.627 -7.487 800 HB3 LEU 96 1HB LEU 96 8.910 -5.564 -6.200 801 HG LEU 96 HG LEU 96 7.264 -3.794 -5.811 802 HD11 LEU 96 1HD1 LEU 96 7.119 -1.880 -7.289 803 HD12 LEU 96 2HD1 LEU 96 8.560 -2.411 -8.157 804 HD13 LEU 96 3HD1 LEU 96 8.682 -1.901 -6.472 805 HD21 LEU 96 3HD2 LEU 96 6.736 -5.559 -7.407 806 HD22 LEU 96 1HD2 LEU 96 7.469 -4.618 -8.705 807 HD23 LEU 96 2HD2 LEU 96 6.016 -4.026 -7.900 808 H VAL 97 H VAL 97 9.647 -5.787 -3.898 809 HA VAL 97 HA VAL 97 7.671 -4.622 -2.285 810 HB VAL 97 HB VAL 97 9.558 -6.903 -1.692 811 HG11 VAL 97 1HG1 VAL 97 7.109 -6.028 -0.159 812 HG12 VAL 97 2HG1 VAL 97 8.774 -5.987 0.417 813 HG13 VAL 97 3HG1 VAL 97 7.991 -7.534 0.098 814 HG21 VAL 97 3HG2 VAL 97 6.706 -6.766 -2.665 815 HG22 VAL 97 1HG2 VAL 97 7.501 -8.252 -2.129 816 HG23 VAL 97 2HG2 VAL 97 8.114 -7.382 -3.535 817 H GLN 98 H GLN 98 11.194 -4.695 -1.955 818 HA GLN 98 HA GLN 98 11.346 -3.454 0.575 819 HB2 GLN 98 2HB GLN 98 13.267 -4.564 -0.443 820 HB3 GLN 98 1HB GLN 98 13.285 -3.394 -1.750 821 HG2 GLN 98 2HG GLN 98 13.501 -2.242 0.941 822 HG3 GLN 98 1HG GLN 98 14.846 -3.273 0.457 823 HE21 GLN 98 1HE2 GLN 98 13.151 -0.304 -0.136 824 HE22 GLN 98 2HE2 GLN 98 14.319 0.384 -1.215 825 H GLN 99 H GLN 99 11.198 -2.091 -2.710 826 HA GLN 99 HA GLN 99 11.425 0.616 -1.886 827 HB2 GLN 99 2HB GLN 99 11.787 0.033 -4.214 828 HB3 GLN 99 1HB GLN 99 10.148 -0.593 -4.350 829 HG2 GLN 99 2HG GLN 99 10.210 1.547 -5.386 830 HG3 GLN 99 1HG GLN 99 9.300 1.696 -3.885 831 HE21 GLN 99 1HE2 GLN 99 9.635 3.833 -3.541 832 HE22 GLN 99 2HE2 GLN 99 11.192 4.526 -3.233 833 H HIS 100 H HIS 100 8.674 -1.490 -2.559 834 HA HIS 100 HA HIS 100 6.613 0.342 -2.076 835 HB2 HIS 100 2HB HIS 100 6.455 -1.971 -3.117 836 HB3 HIS 100 1HB HIS 100 6.524 -2.627 -1.488 837 HD1 HIS 100 1HD HIS 100 4.111 -3.638 -1.938 838 HD2 HIS 100 2HD HIS 100 4.336 0.506 -1.922 839 HE1 HIS 100 1HE HIS 100 1.731 -2.805 -1.804 840 H LEU 101 H LEU 101 8.481 -1.721 0.068 841 HA LEU 101 HA LEU 101 7.086 -1.387 2.442 842 HB2 LEU 101 2HB LEU 101 9.723 -2.264 1.583 843 HB3 LEU 101 1HB LEU 101 9.763 -1.507 3.153 844 HG LEU 101 HG LEU 101 8.016 -3.848 2.394 845 HD11 LEU 101 1HD1 LEU 101 10.382 -4.438 2.482 846 HD12 LEU 101 2HD1 LEU 101 9.495 -5.152 3.828 847 HD13 LEU 101 3HD1 LEU 101 10.505 -3.730 4.092 848 HD21 LEU 101 3HD2 LEU 101 7.521 -3.988 4.775 849 HD22 LEU 101 1HD2 LEU 101 7.016 -2.433 4.117 850 HD23 LEU 101 2HD2 LEU 101 8.492 -2.547 5.072 851 H GLN 102 H GLN 102 9.783 0.571 1.137 852 HA GLN 102 HA GLN 102 9.894 2.372 3.271 853 HB2 GLN 102 2HB GLN 102 10.736 2.528 0.386 854 HB3 GLN 102 1HB GLN 102 11.080 3.773 1.552 855 HG2 GLN 102 2HG GLN 102 12.087 0.960 1.535 856 HG3 GLN 102 1HG GLN 102 13.019 2.445 1.373 857 HE21 GLN 102 1HE2 GLN 102 13.381 3.736 3.217 858 HE22 GLN 102 2HE2 GLN 102 13.211 3.086 4.816 859 H ASP 103 H ASP 103 8.230 2.467 0.143 860 HA ASP 103 HA ASP 103 7.113 5.003 0.273 861 HB2 ASP 103 2HB ASP 103 6.352 2.457 -1.079 862 HB3 ASP 103 1HB ASP 103 5.141 3.725 -0.997 863 H GLU 104 H GLU 104 5.740 1.934 1.443 864 HA GLU 104 HA GLU 104 3.356 3.160 2.394 865 HB2 GLU 104 2HB GLU 104 4.506 0.465 3.123 866 HB3 GLU 104 1HB GLU 104 2.857 0.998 3.409 867 HG2 GLU 104 2HG GLU 104 4.152 0.608 0.721 868 HG3 GLU 104 1HG GLU 104 2.986 -0.470 1.479 869 H GLN 105 H GLN 105 6.424 2.290 3.914 870 HA GLN 105 HA GLN 105 5.664 2.695 6.574 871 HB2 GLN 105 2HB GLN 105 8.250 2.775 5.089 872 HB3 GLN 105 1HB GLN 105 8.204 3.378 6.734 873 HG2 GLN 105 2HG GLN 105 7.364 1.230 7.517 874 HG3 GLN 105 1HG GLN 105 7.361 0.624 5.863 875 HE21 GLN 105 1HE2 GLN 105 9.872 2.701 7.060 876 HE22 GLN 105 2HE2 GLN 105 11.123 1.511 7.087 877 H ARG 106 H ARG 106 6.884 4.968 4.138 878 HA ARG 106 HA ARG 106 6.992 7.231 5.834 879 HB2 ARG 106 2HB ARG 106 8.120 7.269 3.686 880 HB3 ARG 106 1HB ARG 106 6.590 7.065 2.840 881 HG2 ARG 106 2HG ARG 106 5.870 9.254 3.877 882 HG3 ARG 106 1HG ARG 106 7.545 9.460 4.384 883 HD2 ARG 106 2HD ARG 106 8.297 9.416 2.104 884 HD3 ARG 106 1HD ARG 106 6.670 9.029 1.537 885 HE ARG 106 HE ARG 106 6.668 11.454 3.014 886 HH11 ARG 106 1HH1 ARG 106 7.541 10.098 -0.092 887 HH12 ARG 106 2HH1 ARG 106 7.394 11.602 -0.947 888 HH21 ARG 106 1HH2 ARG 106 6.486 13.453 1.899 889 HH22 ARG 106 2HH2 ARG 106 6.824 13.514 0.190 890 H HIS 107 H HIS 107 4.404 5.903 3.809 891 HA HIS 107 HA HIS 107 2.559 7.982 4.147 892 HB2 HIS 107 2HB HIS 107 2.058 5.017 3.797 893 HB3 HIS 107 1HB HIS 107 0.811 6.256 3.694 894 HD2 HIS 107 2HD HIS 107 2.989 8.248 1.910 895 HE1 HIS 107 1HE HIS 107 2.255 5.216 -0.945 896 HE2 HIS 107 2HE HIS 107 2.966 7.623 -0.605 897 H VAL 108 H VAL 108 3.115 5.061 6.087 898 HA VAL 108 HA VAL 108 1.235 5.620 8.108 899 HB VAL 108 HB VAL 108 3.859 4.129 8.349 900 HG11 VAL 108 1HG1 VAL 108 2.986 4.758 10.530 901 HG12 VAL 108 2HG1 VAL 108 2.832 3.020 10.273 902 HG13 VAL 108 3HG1 VAL 108 1.418 4.062 10.119 903 HG21 VAL 108 3HG2 VAL 108 2.457 3.172 6.627 904 HG22 VAL 108 1HG2 VAL 108 1.078 3.146 7.726 905 HG23 VAL 108 2HG2 VAL 108 2.476 2.115 8.041 906 H GLU 109 H GLU 109 4.636 6.498 7.740 907 HA GLU 109 HA GLU 109 5.093 7.735 10.186 908 HB2 GLU 109 2HB GLU 109 6.218 8.198 7.430 909 HB3 GLU 109 1HB GLU 109 6.796 9.078 8.825 910 HG2 GLU 109 2HG GLU 109 6.791 6.084 8.660 911 HG3 GLU 109 1HG GLU 109 8.152 7.081 8.156 912 H GLU 110 H GLU 110 3.808 9.079 7.165 913 HA GLU 110 HA GLU 110 3.666 11.758 8.090 914 HB2 GLU 110 2HB GLU 110 3.246 10.392 5.660 915 HB3 GLU 110 1HB GLU 110 1.738 11.220 6.022 916 HG2 GLU 110 2HG GLU 110 3.116 12.635 4.664 917 HG3 GLU 110 1HG GLU 110 2.988 13.325 6.281 918 H ILE 111 H ILE 111 1.318 9.107 7.959 919 HA ILE 111 HA ILE 111 -0.919 10.647 8.754 920 HB ILE 111 HB ILE 111 -0.434 7.675 9.036 921 HG12 ILE 111 2HG1 ILE 111 -2.024 9.257 7.003 922 HG13 ILE 111 1HG1 ILE 111 -0.442 8.543 6.718 923 HG21 ILE 111 1HG2 ILE 111 -2.872 7.484 9.298 924 HG22 ILE 111 2HG2 ILE 111 -2.995 9.243 9.348 925 HG23 ILE 111 3HG2 ILE 111 -2.130 8.384 10.622 926 HD11 ILE 111 3HD1 ILE 111 -1.386 6.317 7.058 927 HD12 ILE 111 1HD1 ILE 111 -2.211 7.184 5.762 928 HD13 ILE 111 2HD1 ILE 111 -2.972 7.035 7.348 929 H GLU 112 H GLU 112 1.435 8.745 10.618 930 HA GLU 112 HA GLU 112 0.193 9.147 13.117 931 HB2 GLU 112 2HB GLU 112 2.984 8.386 12.307 932 HB3 GLU 112 1HB GLU 112 2.488 8.517 13.981 933 HG2 GLU 112 2HG GLU 112 0.650 6.873 13.439 934 HG3 GLU 112 1HG GLU 112 1.478 6.609 11.906 935 H LYS 113 H LYS 113 2.307 11.081 11.182 936 HA LYS 113 HA LYS 113 3.040 12.927 13.249 937 HB2 LYS 113 2HB LYS 113 3.304 12.822 10.265 938 HB3 LYS 113 1HB LYS 113 3.565 14.347 11.095 939 HG2 LYS 113 2HG LYS 113 5.021 11.872 11.943 940 HG3 LYS 113 1HG LYS 113 5.592 12.855 10.594 941 HD2 LYS 113 2HD LYS 113 5.047 13.925 13.363 942 HD3 LYS 113 1HD LYS 113 6.640 13.428 12.785 943 HE2 LYS 113 2HE LYS 113 6.556 15.101 11.033 944 HE3 LYS 113 1HE LYS 113 4.920 15.552 11.509 945 HZ1 LYS 113 3HZ LYS 113 6.600 17.090 12.355 946 HZ2 LYS 113 1HZ LYS 113 7.332 15.836 13.225 947 HZ3 LYS 113 2HZ LYS 113 5.758 16.334 13.614 948 H LYS 114 H LYS 114 2.461 15.208 11.376 949 HA LYS 114 HA LYS 114 -0.428 15.458 11.506 950 HB2 LYS 114 2HB LYS 114 0.546 16.235 13.729 951 HB3 LYS 114 1HB LYS 114 1.346 17.519 12.835 952 HG2 LYS 114 2HG LYS 114 -1.604 17.192 12.577 953 HG3 LYS 114 1HG LYS 114 -0.937 17.938 14.031 954 HD2 LYS 114 2HD LYS 114 0.092 19.671 12.759 955 HD3 LYS 114 1HD LYS 114 -0.262 18.845 11.239 956 HE2 LYS 114 2HE LYS 114 -2.324 19.943 13.146 957 HE3 LYS 114 1HE LYS 114 -1.780 20.737 11.669 958 HZ1 LYS 114 3HZ LYS 114 -3.222 18.147 11.878 959 HZ2 LYS 114 1HZ LYS 114 -2.559 18.754 10.442 960 HZ3 LYS 114 2HZ LYS 114 -3.804 19.594 11.217 961 H ASN 115 H ASN 115 2.593 17.238 10.983 962 HA ASN 115 HA ASN 115 1.889 17.489 8.166 963 HB2 ASN 115 2HB ASN 115 2.544 19.781 10.001 964 HB3 ASN 115 1HB ASN 115 3.037 19.850 8.315 965 HD21 ASN 115 1HD2 ASN 115 1.450 19.926 6.698 966 HD22 ASN 115 2HD2 ASN 115 -0.174 20.421 7.061 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -15.138 13.541 15.588 2 H2 MET 1 H2 MET 1 -14.589 12.245 14.644 3 H3 MET 1 H3 MET 1 -15.644 13.392 13.981 4 HA MET 1 HA MET 1 -14.024 15.086 14.038 5 HB2 MET 1 2HB MET 1 -11.835 14.800 14.989 6 HB3 MET 1 1HB MET 1 -13.014 14.335 16.208 7 HG2 MET 1 2HG MET 1 -12.600 11.993 15.761 8 HG3 MET 1 1HG MET 1 -11.491 12.413 14.456 9 HE1 MET 1 2HE MET 1 -8.986 11.020 17.062 10 HE2 MET 1 3HE MET 1 -9.495 11.015 15.372 11 HE3 MET 1 1HE MET 1 -10.579 10.401 16.621 12 H ASP 2 H ASP 2 -11.504 14.667 13.018 13 HA ASP 2 HA ASP 2 -12.034 13.521 10.481 14 HB2 ASP 2 2HB ASP 2 -9.595 13.883 10.054 15 HB3 ASP 2 1HB ASP 2 -10.441 15.318 10.608 16 H GLU 3 H GLU 3 -12.140 11.477 10.001 17 HA GLU 3 HA GLU 3 -11.136 9.547 11.953 18 HB2 GLU 3 2HB GLU 3 -13.551 9.611 11.447 19 HB3 GLU 3 1HB GLU 3 -13.201 9.259 9.766 20 HG2 GLU 3 2HG GLU 3 -12.425 7.075 10.311 21 HG3 GLU 3 1HG GLU 3 -12.510 7.424 12.042 22 H LEU 4 H LEU 4 -9.135 8.887 11.438 23 HA LEU 4 HA LEU 4 -8.624 8.083 8.655 24 HB2 LEU 4 2HB LEU 4 -6.279 8.931 8.989 25 HB3 LEU 4 1HB LEU 4 -7.532 10.146 8.861 26 HG LEU 4 HG LEU 4 -7.494 10.226 11.427 27 HD11 LEU 4 1HD1 LEU 4 -4.851 8.851 10.953 28 HD12 LEU 4 2HD1 LEU 4 -6.233 8.175 11.813 29 HD13 LEU 4 3HD1 LEU 4 -5.380 9.571 12.472 30 HD21 LEU 4 3HD2 LEU 4 -6.606 11.983 9.963 31 HD22 LEU 4 1HD2 LEU 4 -5.057 11.142 9.905 32 HD23 LEU 4 2HD2 LEU 4 -5.647 11.798 11.434 33 H ARG 5 H ARG 5 -8.711 7.081 11.824 34 HA ARG 5 HA ARG 5 -6.335 5.603 12.051 35 HB2 ARG 5 2HB ARG 5 -8.980 5.476 13.459 36 HB3 ARG 5 1HB ARG 5 -7.683 4.361 13.833 37 HG2 ARG 5 2HG ARG 5 -7.496 7.357 14.010 38 HG3 ARG 5 1HG ARG 5 -7.745 6.264 15.373 39 HD2 ARG 5 2HD ARG 5 -5.584 5.183 14.856 40 HD3 ARG 5 1HD ARG 5 -5.338 6.347 13.558 41 HE ARG 5 HE ARG 5 -5.829 7.660 16.036 42 HH11 ARG 5 1HH1 ARG 5 -3.337 5.944 14.265 43 HH12 ARG 5 2HH1 ARG 5 -2.021 6.763 15.059 44 HH21 ARG 5 1HH2 ARG 5 -4.089 8.735 17.086 45 HH22 ARG 5 2HH2 ARG 5 -2.453 8.331 16.659 46 H GLU 6 H GLU 6 -9.502 4.724 10.738 47 HA GLU 6 HA GLU 6 -8.888 1.940 10.553 48 HB2 GLU 6 2HB GLU 6 -11.031 3.606 9.230 49 HB3 GLU 6 1HB GLU 6 -10.910 1.860 9.079 50 HG2 GLU 6 2HG GLU 6 -11.120 1.678 11.539 51 HG3 GLU 6 1HG GLU 6 -11.380 3.422 11.601 52 H LEU 7 H LEU 7 -8.777 4.666 8.316 53 HA LEU 7 HA LEU 7 -8.013 3.284 6.002 54 HB2 LEU 7 2HB LEU 7 -8.698 5.643 6.030 55 HB3 LEU 7 1HB LEU 7 -7.246 6.062 6.919 56 HG LEU 7 HG LEU 7 -5.892 5.317 4.967 57 HD11 LEU 7 1HD1 LEU 7 -6.997 4.997 2.818 58 HD12 LEU 7 2HD1 LEU 7 -8.571 5.119 3.603 59 HD13 LEU 7 3HD1 LEU 7 -7.499 3.772 3.984 60 HD21 LEU 7 3HD2 LEU 7 -6.431 7.266 3.559 61 HD22 LEU 7 1HD2 LEU 7 -6.380 7.663 5.277 62 HD23 LEU 7 2HD2 LEU 7 -7.932 7.478 4.461 63 H LEU 8 H LEU 8 -6.156 4.530 8.706 64 HA LEU 8 HA LEU 8 -3.555 4.078 7.763 65 HB2 LEU 8 2HB LEU 8 -4.274 5.354 9.817 66 HB3 LEU 8 1HB LEU 8 -4.514 3.815 10.612 67 HG LEU 8 HG LEU 8 -2.096 3.310 10.231 68 HD11 LEU 8 1HD1 LEU 8 -0.615 5.176 9.680 69 HD12 LEU 8 2HD1 LEU 8 -2.022 6.199 9.384 70 HD13 LEU 8 3HD1 LEU 8 -1.714 4.800 8.354 71 HD21 LEU 8 3HD2 LEU 8 -1.305 4.772 12.024 72 HD22 LEU 8 1HD2 LEU 8 -2.916 4.139 12.375 73 HD23 LEU 8 2HD2 LEU 8 -2.724 5.799 11.811 74 H LYS 9 H LYS 9 -5.826 1.995 9.455 75 HA LYS 9 HA LYS 9 -4.124 -0.141 10.030 76 HB2 LYS 9 2HB LYS 9 -7.090 -0.173 9.456 77 HB3 LYS 9 1HB LYS 9 -6.192 -1.531 10.118 78 HG2 LYS 9 2HG LYS 9 -5.542 -0.071 12.031 79 HG3 LYS 9 1HG LYS 9 -6.641 1.153 11.393 80 HD2 LYS 9 2HD LYS 9 -8.503 -0.434 11.586 81 HD3 LYS 9 1HD LYS 9 -7.397 -1.644 12.242 82 HE2 LYS 9 2HE LYS 9 -6.863 -0.024 14.074 83 HE3 LYS 9 1HE LYS 9 -8.164 0.997 13.467 84 HZ1 LYS 9 3HZ LYS 9 -9.693 -0.888 13.811 85 HZ2 LYS 9 1HZ LYS 9 -8.979 -0.345 15.250 86 HZ3 LYS 9 2HZ LYS 9 -8.423 -1.767 14.518 87 H ALA 10 H ALA 10 -5.868 0.633 7.072 88 HA ALA 10 HA ALA 10 -5.455 -1.875 5.790 89 HB1 ALA 10 1HB ALA 10 -6.114 -0.723 3.739 90 HB2 ALA 10 2HB ALA 10 -5.944 0.837 4.546 91 HB3 ALA 10 3HB ALA 10 -7.190 -0.296 5.069 92 H GLU 11 H GLU 11 -3.637 1.171 5.804 93 HA GLU 11 HA GLU 11 -1.649 0.394 3.967 94 HB2 GLU 11 2HB GLU 11 -1.620 2.341 6.271 95 HB3 GLU 11 1HB GLU 11 -0.244 2.124 5.197 96 HG2 GLU 11 2HG GLU 11 -2.976 2.821 4.175 97 HG3 GLU 11 1HG GLU 11 -1.821 4.045 4.695 98 H GLN 12 H GLN 12 -1.865 0.092 7.484 99 HA GLN 12 HA GLN 12 0.578 -1.233 7.919 100 HB2 GLN 12 2HB GLN 12 -2.049 -1.461 9.398 101 HB3 GLN 12 1HB GLN 12 -0.526 -2.111 9.980 102 HG2 GLN 12 2HG GLN 12 0.400 0.091 10.186 103 HG3 GLN 12 1HG GLN 12 -1.020 0.800 9.413 104 HE21 GLN 12 1HE2 GLN 12 0.177 1.225 12.080 105 HE22 GLN 12 2HE2 GLN 12 -1.107 0.931 13.203 106 H GLN 13 H GLN 13 -2.614 -2.412 7.033 107 HA GLN 13 HA GLN 13 -2.132 -5.156 7.252 108 HB2 GLN 13 2HB GLN 13 -4.107 -3.435 5.827 109 HB3 GLN 13 1HB GLN 13 -4.053 -5.138 5.437 110 HG2 GLN 13 2HG GLN 13 -4.486 -3.969 8.173 111 HG3 GLN 13 1HG GLN 13 -5.731 -4.654 7.131 112 HE21 GLN 13 1HE2 GLN 13 -5.859 -6.868 6.875 113 HE22 GLN 13 2HE2 GLN 13 -5.005 -7.976 7.900 114 H GLY 14 H GLY 14 -1.706 -2.929 4.544 115 HA2 GLY 14 2HA GLY 14 -0.870 -4.880 2.666 116 HA3 GLY 14 1HA GLY 14 -0.493 -3.166 2.589 117 H ILE 15 H ILE 15 0.913 -2.865 4.966 118 HA ILE 15 HA ILE 15 3.500 -3.714 4.337 119 HB ILE 15 HB ILE 15 2.355 -2.856 7.001 120 HG12 ILE 15 2HG1 ILE 15 3.992 -1.349 4.949 121 HG13 ILE 15 1HG1 ILE 15 2.257 -1.174 5.190 122 HG21 ILE 15 1HG2 ILE 15 5.241 -3.192 6.186 123 HG22 ILE 15 2HG2 ILE 15 4.369 -4.149 7.386 124 HG23 ILE 15 3HG2 ILE 15 4.685 -2.438 7.680 125 HD11 ILE 15 3HD1 ILE 15 2.652 -0.335 7.440 126 HD12 ILE 15 1HD1 ILE 15 3.492 0.636 6.231 127 HD13 ILE 15 2HD1 ILE 15 4.390 -0.525 7.208 128 H LYS 16 H LYS 16 1.071 -5.109 6.499 129 HA LYS 16 HA LYS 16 2.575 -7.193 7.559 130 HB2 LYS 16 2HB LYS 16 -0.341 -6.765 7.037 131 HB3 LYS 16 1HB LYS 16 0.241 -8.269 7.708 132 HG2 LYS 16 2HG LYS 16 0.682 -5.552 8.902 133 HG3 LYS 16 1HG LYS 16 -0.519 -6.726 9.435 134 HD2 LYS 16 2HD LYS 16 1.275 -8.315 9.962 135 HD3 LYS 16 1HD LYS 16 2.469 -7.115 9.456 136 HE2 LYS 16 2HE LYS 16 2.213 -7.163 11.892 137 HE3 LYS 16 1HE LYS 16 1.732 -5.608 11.216 138 HZ1 LYS 16 3HZ LYS 16 0.229 -6.555 12.959 139 HZ2 LYS 16 1HZ LYS 16 -0.207 -7.763 11.849 140 HZ3 LYS 16 2HZ LYS 16 -0.542 -6.137 11.503 141 H ILE 17 H ILE 17 0.611 -6.996 4.629 142 HA ILE 17 HA ILE 17 1.035 -9.662 3.764 143 HB ILE 17 HB ILE 17 0.290 -7.156 2.231 144 HG12 ILE 17 2HG1 ILE 17 -1.354 -9.526 3.153 145 HG13 ILE 17 1HG1 ILE 17 -1.334 -7.940 3.915 146 HG21 ILE 17 1HG2 ILE 17 1.349 -8.746 0.708 147 HG22 ILE 17 2HG2 ILE 17 -0.386 -8.648 0.398 148 HG23 ILE 17 3HG2 ILE 17 0.276 -10.026 1.278 149 HD11 ILE 17 3HD1 ILE 17 -2.265 -8.540 1.121 150 HD12 ILE 17 1HD1 ILE 17 -2.252 -6.953 1.889 151 HD13 ILE 17 2HD1 ILE 17 -3.295 -8.229 2.520 152 H LEU 18 H LEU 18 2.660 -6.599 2.970 153 HA LEU 18 HA LEU 18 4.532 -7.633 1.170 154 HB2 LEU 18 2HB LEU 18 4.771 -5.291 3.054 155 HB3 LEU 18 1HB LEU 18 5.892 -5.628 1.750 156 HG LEU 18 HG LEU 18 2.953 -5.054 1.367 157 HD11 LEU 18 1HD1 LEU 18 4.133 -3.097 2.220 158 HD12 LEU 18 2HD1 LEU 18 3.674 -2.880 0.533 159 HD13 LEU 18 3HD1 LEU 18 5.344 -3.265 0.947 160 HD21 LEU 18 3HD2 LEU 18 3.590 -4.795 -0.995 161 HD22 LEU 18 1HD2 LEU 18 3.881 -6.431 -0.401 162 HD23 LEU 18 2HD2 LEU 18 5.228 -5.311 -0.598 163 H LYS 19 H LYS 19 4.624 -7.390 4.693 164 HA LYS 19 HA LYS 19 7.247 -8.297 5.076 165 HB2 LYS 19 2HB LYS 19 4.786 -8.084 6.717 166 HB3 LYS 19 1HB LYS 19 6.089 -9.084 7.321 167 HG2 LYS 19 2HG LYS 19 6.435 -6.223 6.478 168 HG3 LYS 19 1HG LYS 19 6.118 -6.735 8.130 169 HD2 LYS 19 2HD LYS 19 8.468 -7.653 6.486 170 HD3 LYS 19 1HD LYS 19 8.521 -6.339 7.665 171 HE2 LYS 19 2HE LYS 19 7.907 -7.869 9.440 172 HE3 LYS 19 1HE LYS 19 7.745 -9.187 8.284 173 HZ1 LYS 19 3HZ LYS 19 10.275 -7.720 8.782 174 HZ2 LYS 19 1HZ LYS 19 10.071 -9.120 7.845 175 HZ3 LYS 19 2HZ LYS 19 9.865 -9.182 9.531 176 H GLU 20 H GLU 20 4.156 -10.014 4.895 177 HA GLU 20 HA GLU 20 5.058 -12.601 5.402 178 HB2 GLU 20 2HB GLU 20 2.681 -11.325 4.723 179 HB3 GLU 20 1HB GLU 20 2.955 -12.437 3.394 180 HG2 GLU 20 2HG GLU 20 2.954 -13.221 6.294 181 HG3 GLU 20 1HG GLU 20 1.562 -13.330 5.225 182 H VAL 21 H VAL 21 4.746 -10.817 2.354 183 HA VAL 21 HA VAL 21 5.715 -12.886 0.674 184 HB VAL 21 HB VAL 21 5.824 -9.901 0.181 185 HG11 VAL 21 1HG1 VAL 21 5.805 -12.217 -1.749 186 HG12 VAL 21 2HG1 VAL 21 7.201 -11.214 -1.352 187 HG13 VAL 21 3HG1 VAL 21 5.813 -10.505 -2.178 188 HG21 VAL 21 3HG2 VAL 21 3.682 -10.250 -1.019 189 HG22 VAL 21 1HG2 VAL 21 3.564 -10.512 0.722 190 HG23 VAL 21 2HG2 VAL 21 3.636 -11.891 -0.375 191 H LEU 22 H LEU 22 7.299 -10.206 2.356 192 HA LEU 22 HA LEU 22 9.852 -10.518 1.194 193 HB2 LEU 22 2HB LEU 22 9.009 -8.552 2.541 194 HB3 LEU 22 1HB LEU 22 9.282 -9.511 3.980 195 HG LEU 22 HG LEU 22 11.683 -9.635 3.446 196 HD11 LEU 22 1HD1 LEU 22 11.501 -9.465 1.010 197 HD12 LEU 22 2HD1 LEU 22 12.612 -8.258 1.661 198 HD13 LEU 22 3HD1 LEU 22 10.985 -7.785 1.165 199 HD21 LEU 22 3HD2 LEU 22 10.566 -6.834 3.475 200 HD22 LEU 22 1HD2 LEU 22 12.214 -7.293 3.904 201 HD23 LEU 22 2HD2 LEU 22 10.861 -7.849 4.888 202 H LYS 23 H LYS 23 8.319 -11.994 3.994 203 HA LYS 23 HA LYS 23 10.532 -13.466 4.966 204 HB2 LYS 23 2HB LYS 23 8.366 -13.146 6.155 205 HB3 LYS 23 1HB LYS 23 7.595 -14.190 4.987 206 HG2 LYS 23 2HG LYS 23 9.177 -16.005 5.711 207 HG3 LYS 23 1HG LYS 23 9.653 -14.946 7.040 208 HD2 LYS 23 2HD LYS 23 7.428 -14.933 7.918 209 HD3 LYS 23 1HD LYS 23 6.805 -15.763 6.491 210 HE2 LYS 23 2HE LYS 23 8.229 -17.711 7.076 211 HE3 LYS 23 1HE LYS 23 8.690 -16.878 8.561 212 HZ1 LYS 23 3HZ LYS 23 6.880 -18.474 8.892 213 HZ2 LYS 23 1HZ LYS 23 5.905 -17.602 7.813 214 HZ3 LYS 23 2HZ LYS 23 6.404 -16.893 9.271 215 H LYS 24 H LYS 24 7.861 -14.329 2.870 216 HA LYS 24 HA LYS 24 8.776 -16.915 2.207 217 HB2 LYS 24 2HB LYS 24 6.688 -15.081 1.107 218 HB3 LYS 24 1HB LYS 24 7.090 -16.556 0.239 219 HG2 LYS 24 2HG LYS 24 6.561 -17.876 2.224 220 HG3 LYS 24 1HG LYS 24 6.179 -16.397 3.108 221 HD2 LYS 24 2HD LYS 24 4.307 -15.949 1.702 222 HD3 LYS 24 1HD LYS 24 4.777 -17.226 0.575 223 HE2 LYS 24 2HE LYS 24 2.912 -17.924 1.996 224 HE3 LYS 24 1HE LYS 24 4.344 -18.911 2.269 225 HZ1 LYS 24 3HZ LYS 24 4.804 -17.639 4.262 226 HZ2 LYS 24 1HZ LYS 24 3.251 -18.306 4.340 227 HZ3 LYS 24 2HZ LYS 24 3.449 -16.657 3.993 228 H ALA 25 H ALA 25 9.601 -13.815 0.939 229 HA ALA 25 HA ALA 25 10.519 -14.475 -1.605 230 HB1 ALA 25 1HB ALA 25 11.924 -12.508 -1.462 231 HB2 ALA 25 2HB ALA 25 11.739 -12.477 0.292 232 HB3 ALA 25 3HB ALA 25 10.346 -12.175 -0.746 233 H LYS 26 H LYS 26 12.016 -14.945 1.544 234 HA LYS 26 HA LYS 26 14.563 -15.722 0.567 235 HB2 LYS 26 2HB LYS 26 13.180 -16.251 3.196 236 HB3 LYS 26 1HB LYS 26 14.813 -16.802 2.847 237 HG2 LYS 26 2HG LYS 26 15.392 -14.396 2.359 238 HG3 LYS 26 1HG LYS 26 13.820 -13.975 3.036 239 HD2 LYS 26 2HD LYS 26 15.860 -15.611 4.526 240 HD3 LYS 26 1HD LYS 26 15.785 -13.852 4.624 241 HE2 LYS 26 2HE LYS 26 13.524 -13.970 5.497 242 HE3 LYS 26 1HE LYS 26 13.528 -15.725 5.321 243 HZ1 LYS 26 3HZ LYS 26 15.488 -14.285 7.023 244 HZ2 LYS 26 1HZ LYS 26 15.137 -15.945 7.009 245 HZ3 LYS 26 2HZ LYS 26 14.001 -14.840 7.617 246 H GLU 27 H GLU 27 11.550 -17.390 0.990 247 HA GLU 27 HA GLU 27 12.633 -20.024 0.605 248 HB2 GLU 27 2HB GLU 27 10.485 -19.601 1.787 249 HB3 GLU 27 1HB GLU 27 9.791 -19.022 0.283 250 HG2 GLU 27 2HG GLU 27 9.091 -21.288 0.733 251 HG3 GLU 27 1HG GLU 27 10.098 -21.225 -0.713 252 H GLY 28 H GLY 28 10.979 -17.609 -1.389 253 HA2 GLY 28 2HA GLY 28 11.159 -17.187 -3.649 254 HA3 GLY 28 1HA GLY 28 12.435 -18.392 -3.721 255 H ASP 29 H ASP 29 9.313 -19.195 -2.432 256 HA ASP 29 HA ASP 29 8.989 -21.283 -4.349 257 HB2 ASP 29 2HB ASP 29 8.189 -21.436 -1.993 258 HB3 ASP 29 1HB ASP 29 6.939 -20.255 -2.379 259 H GLU 30 H GLU 30 8.126 -21.171 -6.266 260 HA GLU 30 HA GLU 30 7.336 -18.737 -7.423 261 HB2 GLU 30 2HB GLU 30 6.836 -21.537 -8.448 262 HB3 GLU 30 1HB GLU 30 6.821 -20.061 -9.402 263 HG2 GLU 30 2HG GLU 30 9.169 -19.739 -9.052 264 HG3 GLU 30 1HG GLU 30 9.229 -21.111 -7.943 265 H GLN 31 H GLN 31 5.465 -21.461 -6.196 266 HA GLN 31 HA GLN 31 2.982 -20.650 -7.319 267 HB2 GLN 31 2HB GLN 31 3.464 -22.443 -4.934 268 HB3 GLN 31 1HB GLN 31 2.001 -22.363 -5.904 269 HG2 GLN 31 2HG GLN 31 4.693 -23.216 -6.944 270 HG3 GLN 31 1HG GLN 31 3.441 -24.321 -6.384 271 HE21 GLN 31 1HE2 GLN 31 3.318 -25.308 -8.381 272 HE22 GLN 31 2HE2 GLN 31 2.575 -24.556 -9.745 273 H GLU 32 H GLU 32 4.452 -20.362 -4.130 274 HA GLU 32 HA GLU 32 2.347 -19.024 -2.845 275 HB2 GLU 32 2HB GLU 32 5.030 -19.780 -2.246 276 HB3 GLU 32 1HB GLU 32 4.832 -18.089 -1.807 277 HG2 GLU 32 2HG GLU 32 4.346 -19.468 0.088 278 HG3 GLU 32 1HG GLU 32 2.861 -18.697 -0.466 279 H LEU 33 H LEU 33 5.215 -17.752 -4.516 280 HA LEU 33 HA LEU 33 4.755 -15.043 -3.950 281 HB2 LEU 33 2HB LEU 33 6.218 -16.320 -6.255 282 HB3 LEU 33 1HB LEU 33 6.250 -14.603 -5.903 283 HG LEU 33 HG LEU 33 7.297 -16.801 -4.114 284 HD11 LEU 33 1HD1 LEU 33 8.695 -16.411 -6.066 285 HD12 LEU 33 2HD1 LEU 33 9.483 -15.832 -4.598 286 HD13 LEU 33 3HD1 LEU 33 8.733 -14.685 -5.708 287 HD21 LEU 33 3HD2 LEU 33 6.377 -14.944 -2.816 288 HD22 LEU 33 1HD2 LEU 33 7.357 -13.808 -3.742 289 HD23 LEU 33 2HD2 LEU 33 8.135 -14.997 -2.700 290 H ALA 34 H ALA 34 3.599 -17.074 -6.594 291 HA ALA 34 HA ALA 34 2.537 -15.020 -8.197 292 HB1 ALA 34 1HB ALA 34 2.863 -17.309 -8.999 293 HB2 ALA 34 2HB ALA 34 1.207 -16.763 -9.260 294 HB3 ALA 34 3HB ALA 34 1.575 -17.866 -7.933 295 H ARG 35 H ARG 35 1.105 -16.933 -5.582 296 HA ARG 35 HA ARG 35 -1.462 -15.720 -5.707 297 HB2 ARG 35 2HB ARG 35 -1.146 -17.852 -4.582 298 HB3 ARG 35 1HB ARG 35 -0.040 -17.118 -3.435 299 HG2 ARG 35 2HG ARG 35 -2.244 -17.488 -2.452 300 HG3 ARG 35 1HG ARG 35 -1.837 -15.773 -2.514 301 HD2 ARG 35 2HD ARG 35 -3.128 -15.866 -4.795 302 HD3 ARG 35 1HD ARG 35 -3.857 -17.309 -4.085 303 HE ARG 35 HE ARG 35 -4.013 -15.295 -2.176 304 HH11 ARG 35 1HH1 ARG 35 -5.367 -16.071 -5.311 305 HH12 ARG 35 2HH1 ARG 35 -6.716 -14.983 -5.146 306 HH21 ARG 35 1HH2 ARG 35 -5.773 -13.867 -1.936 307 HH22 ARG 35 2HH2 ARG 35 -6.975 -13.764 -3.191 308 H LEU 36 H LEU 36 1.432 -15.127 -3.813 309 HA LEU 36 HA LEU 36 0.453 -13.158 -2.102 310 HB2 LEU 36 2HB LEU 36 3.222 -13.551 -3.220 311 HB3 LEU 36 1HB LEU 36 2.841 -12.424 -1.933 312 HG LEU 36 HG LEU 36 2.454 -15.414 -1.787 313 HD11 LEU 36 1HD1 LEU 36 4.565 -13.643 -0.557 314 HD12 LEU 36 2HD1 LEU 36 4.813 -14.825 -1.842 315 HD13 LEU 36 3HD1 LEU 36 4.347 -15.363 -0.229 316 HD21 LEU 36 3HD2 LEU 36 0.858 -14.168 -0.410 317 HD22 LEU 36 1HD2 LEU 36 2.190 -13.284 0.337 318 HD23 LEU 36 2HD2 LEU 36 2.035 -15.022 0.585 319 H ASN 37 H ASN 37 1.961 -12.805 -5.304 320 HA ASN 37 HA ASN 37 2.040 -10.011 -5.394 321 HB2 ASN 37 2HB ASN 37 3.079 -11.608 -7.070 322 HB3 ASN 37 1HB ASN 37 1.476 -11.793 -7.777 323 HD21 ASN 37 1HD2 ASN 37 2.006 -10.894 -9.740 324 HD22 ASN 37 2HD2 ASN 37 2.373 -9.218 -9.940 325 H GLN 38 H GLN 38 -0.495 -12.241 -6.470 326 HA GLN 38 HA GLN 38 -2.328 -10.340 -7.388 327 HB2 GLN 38 2HB GLN 38 -2.158 -13.134 -7.071 328 HB3 GLN 38 1HB GLN 38 -3.612 -12.636 -6.223 329 HG2 GLN 38 2HG GLN 38 -3.044 -11.749 -9.021 330 HG3 GLN 38 1HG GLN 38 -3.807 -13.295 -8.667 331 HE21 GLN 38 1HE2 GLN 38 -4.164 -9.843 -8.628 332 HE22 GLN 38 2HE2 GLN 38 -5.871 -9.813 -8.343 333 H GLU 39 H GLU 39 -1.801 -11.740 -4.192 334 HA GLU 39 HA GLU 39 -4.104 -10.680 -2.954 335 HB2 GLU 39 2HB GLU 39 -2.513 -12.530 -2.131 336 HB3 GLU 39 1HB GLU 39 -1.498 -11.221 -1.543 337 HG2 GLU 39 2HG GLU 39 -2.853 -12.043 0.248 338 HG3 GLU 39 1HG GLU 39 -3.376 -10.413 -0.175 339 H ILE 40 H ILE 40 -0.790 -9.461 -3.283 340 HA ILE 40 HA ILE 40 -1.040 -7.145 -1.724 341 HB ILE 40 HB ILE 40 0.644 -7.552 -4.202 342 HG12 ILE 40 2HG1 ILE 40 1.384 -7.823 -1.282 343 HG13 ILE 40 1HG1 ILE 40 1.084 -9.170 -2.377 344 HG21 ILE 40 1HG2 ILE 40 0.915 -5.485 -2.024 345 HG22 ILE 40 2HG2 ILE 40 0.351 -5.182 -3.667 346 HG23 ILE 40 3HG2 ILE 40 2.011 -5.710 -3.387 347 HD11 ILE 40 3HD1 ILE 40 3.463 -8.795 -2.077 348 HD12 ILE 40 1HD1 ILE 40 3.289 -7.133 -2.651 349 HD13 ILE 40 2HD1 ILE 40 2.986 -8.485 -3.745 350 H VAL 41 H VAL 41 -1.520 -7.614 -5.216 351 HA VAL 41 HA VAL 41 -2.197 -4.978 -5.854 352 HB VAL 41 HB VAL 41 -3.179 -7.510 -7.181 353 HG11 VAL 41 1HG1 VAL 41 -3.540 -6.124 -9.156 354 HG12 VAL 41 2HG1 VAL 41 -3.048 -4.693 -8.252 355 HG13 VAL 41 3HG1 VAL 41 -4.517 -5.558 -7.801 356 HG21 VAL 41 3HG2 VAL 41 -1.330 -7.152 -8.746 357 HG22 VAL 41 1HG2 VAL 41 -0.751 -7.392 -7.097 358 HG23 VAL 41 2HG2 VAL 41 -0.794 -5.771 -7.789 359 H LYS 42 H LYS 42 -4.248 -7.699 -4.868 360 HA LYS 42 HA LYS 42 -6.722 -6.384 -5.153 361 HB2 LYS 42 2HB LYS 42 -6.303 -8.875 -4.805 362 HB3 LYS 42 1HB LYS 42 -6.129 -8.507 -3.095 363 HG2 LYS 42 2HG LYS 42 -8.432 -7.477 -3.212 364 HG3 LYS 42 1HG LYS 42 -8.573 -8.203 -4.814 365 HD2 LYS 42 2HD LYS 42 -9.492 -9.885 -3.588 366 HD3 LYS 42 1HD LYS 42 -7.798 -10.363 -3.465 367 HE2 LYS 42 2HE LYS 42 -9.327 -8.732 -1.439 368 HE3 LYS 42 1HE LYS 42 -8.925 -10.440 -1.289 369 HZ1 LYS 42 3HZ LYS 42 -6.616 -9.914 -1.170 370 HZ2 LYS 42 1HZ LYS 42 -7.427 -8.923 -0.051 371 HZ3 LYS 42 2HZ LYS 42 -6.905 -8.282 -1.529 372 H ALA 43 H ALA 43 -4.452 -6.583 -2.451 373 HA ALA 43 HA ALA 43 -6.129 -5.352 -0.526 374 HB1 ALA 43 1HB ALA 43 -4.096 -5.073 0.796 375 HB2 ALA 43 2HB ALA 43 -3.117 -5.483 -0.613 376 HB3 ALA 43 3HB ALA 43 -4.187 -6.691 0.097 377 H GLU 44 H GLU 44 -3.511 -4.064 -2.562 378 HA GLU 44 HA GLU 44 -3.710 -1.383 -1.769 379 HB2 GLU 44 2HB GLU 44 -2.855 -2.615 -4.392 380 HB3 GLU 44 1HB GLU 44 -2.708 -0.900 -4.040 381 HG2 GLU 44 2HG GLU 44 -1.505 -2.857 -2.155 382 HG3 GLU 44 1HG GLU 44 -0.701 -2.543 -3.692 383 H LYS 45 H LYS 45 -5.376 -3.190 -4.296 384 HA LYS 45 HA LYS 45 -6.771 -1.093 -5.507 385 HB2 LYS 45 2HB LYS 45 -6.613 -3.339 -6.464 386 HB3 LYS 45 1HB LYS 45 -7.579 -3.986 -5.148 387 HG2 LYS 45 2HG LYS 45 -9.480 -2.617 -5.897 388 HG3 LYS 45 1HG LYS 45 -8.504 -2.040 -7.251 389 HD2 LYS 45 2HD LYS 45 -8.269 -4.331 -8.061 390 HD3 LYS 45 1HD LYS 45 -9.228 -4.918 -6.702 391 HE2 LYS 45 2HE LYS 45 -11.128 -3.553 -7.507 392 HE3 LYS 45 1HE LYS 45 -10.157 -3.069 -8.896 393 HZ1 LYS 45 3HZ LYS 45 -11.643 -4.897 -9.438 394 HZ2 LYS 45 1HZ LYS 45 -10.940 -5.857 -8.230 395 HZ3 LYS 45 2HZ LYS 45 -10.023 -5.384 -9.573 396 H GLN 46 H GLN 46 -7.684 -3.168 -2.769 397 HA GLN 46 HA GLN 46 -10.235 -2.010 -2.364 398 HB2 GLN 46 2HB GLN 46 -9.449 -4.211 -1.440 399 HB3 GLN 46 1HB GLN 46 -8.479 -3.315 -0.284 400 HG2 GLN 46 2HG GLN 46 -10.486 -2.310 0.648 401 HG3 GLN 46 1HG GLN 46 -11.476 -3.174 -0.528 402 HE21 GLN 46 1HE2 GLN 46 -9.569 -3.424 2.352 403 HE22 GLN 46 2HE2 GLN 46 -10.072 -5.016 2.798 404 H GLY 47 H GLY 47 -7.048 -1.396 -0.987 405 HA2 GLY 47 2HA GLY 47 -7.754 0.597 0.854 406 HA3 GLY 47 1HA GLY 47 -6.177 0.429 0.094 407 H VAL 48 H VAL 48 -6.877 0.839 -2.566 408 HA VAL 48 HA VAL 48 -6.846 3.608 -2.820 409 HB VAL 48 HB VAL 48 -7.569 1.462 -4.816 410 HG11 VAL 48 1HG1 VAL 48 -7.202 4.410 -5.339 411 HG12 VAL 48 2HG1 VAL 48 -8.711 3.510 -5.491 412 HG13 VAL 48 3HG1 VAL 48 -7.363 3.159 -6.573 413 HG21 VAL 48 3HG2 VAL 48 -5.366 1.989 -5.740 414 HG22 VAL 48 1HG2 VAL 48 -5.254 1.504 -4.047 415 HG23 VAL 48 2HG2 VAL 48 -5.134 3.208 -4.487 416 H LYS 49 H LYS 49 -9.587 1.365 -3.113 417 HA LYS 49 HA LYS 49 -11.554 3.195 -3.875 418 HB2 LYS 49 2HB LYS 49 -11.950 0.793 -3.869 419 HB3 LYS 49 1HB LYS 49 -11.771 0.730 -2.126 420 HG2 LYS 49 2HG LYS 49 -14.102 0.588 -2.767 421 HG3 LYS 49 1HG LYS 49 -13.790 2.066 -1.857 422 HD2 LYS 49 2HD LYS 49 -13.392 2.781 -4.519 423 HD3 LYS 49 1HD LYS 49 -14.810 1.730 -4.542 424 HE2 LYS 49 2HE LYS 49 -15.875 3.089 -2.831 425 HE3 LYS 49 1HE LYS 49 -14.445 4.117 -2.738 426 HZ1 LYS 49 3HZ LYS 49 -14.846 4.603 -5.157 427 HZ2 LYS 49 1HZ LYS 49 -15.986 5.238 -4.070 428 HZ3 LYS 49 2HZ LYS 49 -16.358 3.856 -4.981 429 H VAL 50 H VAL 50 -10.561 2.215 -0.610 430 HA VAL 50 HA VAL 50 -12.338 3.968 0.754 431 HB VAL 50 HB VAL 50 -9.705 2.866 1.775 432 HG11 VAL 50 1HG1 VAL 50 -10.599 4.662 3.154 433 HG12 VAL 50 2HG1 VAL 50 -10.729 3.112 3.986 434 HG13 VAL 50 3HG1 VAL 50 -12.155 3.835 3.244 435 HG21 VAL 50 3HG2 VAL 50 -11.040 1.034 2.723 436 HG22 VAL 50 1HG2 VAL 50 -11.100 1.054 0.961 437 HG23 VAL 50 2HG2 VAL 50 -12.467 1.659 1.896 438 H TYR 51 H TYR 51 -8.968 4.288 -0.318 439 HA TYR 51 HA TYR 51 -8.457 6.830 0.756 440 HB2 TYR 51 2HB TYR 51 -7.304 5.152 -1.379 441 HB3 TYR 51 1HB TYR 51 -7.033 6.880 -1.562 442 HD1 TYR 51 2HD TYR 51 -5.949 8.130 0.364 443 HD2 TYR 51 1HD TYR 51 -6.008 3.885 0.114 444 HE1 TYR 51 2HE TYR 51 -4.072 8.022 1.946 445 HE2 TYR 51 1HE TYR 51 -4.126 3.761 1.697 446 HH TYR 51 HH TYR 51 -2.263 5.203 2.480 447 H LYS 52 H LYS 52 -9.861 5.860 -2.344 448 HA LYS 52 HA LYS 52 -10.230 8.368 -3.500 449 HB2 LYS 52 2HB LYS 52 -11.869 5.839 -3.703 450 HB3 LYS 52 1HB LYS 52 -12.167 7.248 -4.702 451 HG2 LYS 52 2HG LYS 52 -9.610 5.671 -4.617 452 HG3 LYS 52 1HG LYS 52 -10.848 5.561 -5.868 453 HD2 LYS 52 2HD LYS 52 -10.455 7.868 -6.504 454 HD3 LYS 52 1HD LYS 52 -9.297 8.059 -5.183 455 HE2 LYS 52 2HE LYS 52 -7.860 6.359 -6.199 456 HE3 LYS 52 1HE LYS 52 -9.018 6.162 -7.513 457 HZ1 LYS 52 3HZ LYS 52 -8.573 8.334 -8.291 458 HZ2 LYS 52 1HZ LYS 52 -7.065 7.619 -8.003 459 HZ3 LYS 52 2HZ LYS 52 -7.695 8.747 -6.905 460 H GLU 53 H GLU 53 -12.310 6.547 -1.314 461 HA GLU 53 HA GLU 53 -14.401 8.432 -1.185 462 HB2 GLU 53 2HB GLU 53 -13.512 6.199 0.635 463 HB3 GLU 53 1HB GLU 53 -14.982 7.108 0.887 464 HG2 GLU 53 2HG GLU 53 -14.307 5.332 -1.428 465 HG3 GLU 53 1HG GLU 53 -15.554 5.085 -0.208 466 H ALA 54 H ALA 54 -11.645 7.750 0.949 467 HA ALA 54 HA ALA 54 -12.199 9.633 2.939 468 HB1 ALA 54 1HB ALA 54 -9.885 9.367 3.616 469 HB2 ALA 54 2HB ALA 54 -9.500 8.616 2.068 470 HB3 ALA 54 3HB ALA 54 -10.588 7.805 3.193 471 H ALA 55 H ALA 55 -10.555 9.981 -0.140 472 HA ALA 55 HA ALA 55 -9.296 12.425 0.221 473 HB1 ALA 55 1HB ALA 55 -10.627 11.426 -2.295 474 HB2 ALA 55 2HB ALA 55 -9.000 11.004 -1.756 475 HB3 ALA 55 3HB ALA 55 -9.380 12.669 -2.195 476 H GLU 56 H GLU 56 -12.682 11.759 -0.554 477 HA GLU 56 HA GLU 56 -13.241 14.606 -0.776 478 HB2 GLU 56 2HB GLU 56 -15.054 12.207 -1.041 479 HB3 GLU 56 1HB GLU 56 -15.567 13.875 -1.260 480 HG2 GLU 56 2HG GLU 56 -13.772 14.036 -3.048 481 HG3 GLU 56 1HG GLU 56 -13.661 12.281 -2.938 482 H LYS 57 H LYS 57 -13.088 12.300 1.658 483 HA LYS 57 HA LYS 57 -15.046 13.470 3.404 484 HB2 LYS 57 2HB LYS 57 -12.751 11.616 4.002 485 HB3 LYS 57 1HB LYS 57 -14.019 12.045 5.127 486 HG2 LYS 57 2HG LYS 57 -14.589 10.700 2.510 487 HG3 LYS 57 1HG LYS 57 -14.183 9.793 3.965 488 HD2 LYS 57 2HD LYS 57 -16.538 9.814 3.872 489 HD3 LYS 57 1HD LYS 57 -16.109 11.018 5.087 490 HE2 LYS 57 2HE LYS 57 -16.455 12.801 3.481 491 HE3 LYS 57 1HE LYS 57 -16.782 11.622 2.210 492 HZ1 LYS 57 3HZ LYS 57 -18.817 12.561 3.118 493 HZ2 LYS 57 1HZ LYS 57 -18.409 11.997 4.666 494 HZ3 LYS 57 2HZ LYS 57 -18.730 10.894 3.419 495 H ALA 58 H ALA 58 -11.841 14.113 2.452 496 HA ALA 58 HA ALA 58 -10.950 15.523 4.749 497 HB1 ALA 58 1HB ALA 58 -9.404 14.633 3.071 498 HB2 ALA 58 2HB ALA 58 -9.173 16.364 3.315 499 HB3 ALA 58 3HB ALA 58 -10.031 15.780 1.888 500 H ARG 59 H ARG 59 -12.114 17.151 5.490 501 HA ARG 59 HA ARG 59 -13.647 18.913 3.886 502 HB2 ARG 59 2HB ARG 59 -14.153 18.373 6.257 503 HB3 ARG 59 1HB ARG 59 -12.716 19.255 6.748 504 HG2 ARG 59 2HG ARG 59 -14.784 20.661 5.134 505 HG3 ARG 59 1HG ARG 59 -15.085 20.364 6.846 506 HD2 ARG 59 2HD ARG 59 -13.066 21.544 7.446 507 HD3 ARG 59 1HD ARG 59 -12.635 21.735 5.746 508 HE ARG 59 HE ARG 59 -15.192 22.863 6.368 509 HH11 ARG 59 1HH1 ARG 59 -11.734 23.441 6.444 510 HH12 ARG 59 2HH1 ARG 59 -11.905 25.176 6.423 511 HH21 ARG 59 1HH2 ARG 59 -15.413 25.118 6.282 512 HH22 ARG 59 2HH2 ARG 59 -13.996 26.123 6.314 513 H ASN 60 H ASN 60 -10.364 18.958 5.049 514 HA ASN 60 HA ASN 60 -10.026 21.719 4.141 515 HB2 ASN 60 2HB ASN 60 -8.202 19.924 5.750 516 HB3 ASN 60 1HB ASN 60 -7.731 21.515 5.166 517 HD21 ASN 60 1HD2 ASN 60 -7.804 20.738 7.873 518 HD22 ASN 60 2HD2 ASN 60 -8.986 21.721 8.672 519 HA PRO 61 HA PRO 61 -8.557 20.380 0.218 520 HB2 PRO 61 2HB PRO 61 -7.057 22.938 0.250 521 HB3 PRO 61 1HB PRO 61 -8.234 22.336 -0.922 522 HG2 PRO 61 2HG PRO 61 -8.881 24.275 0.789 523 HG3 PRO 61 1HG PRO 61 -10.048 23.011 0.357 524 HD2 PRO 61 2HD PRO 61 -8.398 23.298 2.838 525 HD3 PRO 61 1HD PRO 61 -10.085 22.770 2.662 526 H GLU 62 H GLU 62 -6.281 21.704 2.585 527 HA GLU 62 HA GLU 62 -3.934 20.861 1.291 528 HB2 GLU 62 2HB GLU 62 -4.611 21.661 4.099 529 HB3 GLU 62 1HB GLU 62 -2.991 21.205 3.629 530 HG2 GLU 62 2HG GLU 62 -2.846 23.006 2.071 531 HG3 GLU 62 1HG GLU 62 -4.554 23.383 2.285 532 H LYS 63 H LYS 63 -5.903 19.396 3.864 533 HA LYS 63 HA LYS 63 -4.343 17.066 4.165 534 HB2 LYS 63 2HB LYS 63 -7.275 17.598 4.644 535 HB3 LYS 63 1HB LYS 63 -6.534 16.041 4.983 536 HG2 LYS 63 2HG LYS 63 -5.038 17.085 6.594 537 HG3 LYS 63 1HG LYS 63 -5.739 18.665 6.233 538 HD2 LYS 63 2HD LYS 63 -7.908 17.907 7.035 539 HD3 LYS 63 1HD LYS 63 -7.253 16.298 7.336 540 HE2 LYS 63 2HE LYS 63 -6.224 18.798 8.666 541 HE3 LYS 63 1HE LYS 63 -7.478 17.772 9.361 542 HZ1 LYS 63 3HZ LYS 63 -5.494 17.058 10.331 543 HZ2 LYS 63 1HZ LYS 63 -4.625 17.117 8.873 544 HZ3 LYS 63 2HZ LYS 63 -5.792 15.908 9.132 545 H ARG 64 H ARG 64 -6.939 17.945 1.967 546 HA ARG 64 HA ARG 64 -7.328 15.418 0.780 547 HB2 ARG 64 2HB ARG 64 -8.909 17.303 0.577 548 HB3 ARG 64 1HB ARG 64 -7.750 18.166 -0.419 549 HG2 ARG 64 2HG ARG 64 -7.941 16.511 -2.156 550 HG3 ARG 64 1HG ARG 64 -8.979 15.514 -1.135 551 HD2 ARG 64 2HD ARG 64 -9.616 18.277 -2.164 552 HD3 ARG 64 1HD ARG 64 -10.296 16.762 -2.760 553 HE ARG 64 HE ARG 64 -10.690 17.567 0.041 554 HH11 ARG 64 1HH1 ARG 64 -12.040 16.837 -3.117 555 HH12 ARG 64 2HH1 ARG 64 -13.672 16.676 -2.523 556 HH21 ARG 64 1HH2 ARG 64 -12.816 17.370 0.820 557 HH22 ARG 64 2HH2 ARG 64 -14.106 16.992 -0.283 558 H GLN 65 H GLN 65 -5.108 18.059 0.066 559 HA GLN 65 HA GLN 65 -4.011 17.084 -2.334 560 HB2 GLN 65 2HB GLN 65 -3.685 19.368 -1.334 561 HB3 GLN 65 1HB GLN 65 -2.601 18.645 -0.160 562 HG2 GLN 65 2HG GLN 65 -1.178 17.879 -2.062 563 HG3 GLN 65 1HG GLN 65 -2.208 18.827 -3.134 564 HE21 GLN 65 1HE2 GLN 65 -0.573 20.227 -3.751 565 HE22 GLN 65 2HE2 GLN 65 0.112 21.396 -2.673 566 H VAL 66 H VAL 66 -3.067 16.584 1.038 567 HA VAL 66 HA VAL 66 -0.835 14.952 0.570 568 HB VAL 66 HB VAL 66 -2.719 14.876 2.940 569 HG11 VAL 66 1HG1 VAL 66 -1.301 12.895 2.819 570 HG12 VAL 66 2HG1 VAL 66 -0.812 13.933 4.158 571 HG13 VAL 66 3HG1 VAL 66 0.130 13.913 2.666 572 HG21 VAL 66 3HG2 VAL 66 -1.097 16.382 4.001 573 HG22 VAL 66 1HG2 VAL 66 -1.822 17.105 2.566 574 HG23 VAL 66 2HG2 VAL 66 -0.185 16.455 2.493 575 H ILE 67 H ILE 67 -4.234 14.093 1.197 576 HA ILE 67 HA ILE 67 -3.931 11.308 1.026 577 HB ILE 67 HB ILE 67 -6.364 12.973 0.351 578 HG12 ILE 67 2HG1 ILE 67 -5.594 11.551 2.910 579 HG13 ILE 67 1HG1 ILE 67 -5.495 13.289 2.652 580 HG21 ILE 67 1HG2 ILE 67 -6.131 10.026 0.966 581 HG22 ILE 67 2HG2 ILE 67 -6.540 10.734 -0.597 582 HG23 ILE 67 3HG2 ILE 67 -7.641 10.914 0.771 583 HD11 ILE 67 3HD1 ILE 67 -7.916 13.388 2.375 584 HD12 ILE 67 1HD1 ILE 67 -7.470 12.691 3.930 585 HD13 ILE 67 2HD1 ILE 67 -8.017 11.645 2.621 586 H ASP 68 H ASP 68 -4.758 13.701 -1.468 587 HA ASP 68 HA ASP 68 -5.186 11.930 -3.591 588 HB2 ASP 68 2HB ASP 68 -5.775 14.297 -3.733 589 HB3 ASP 68 1HB ASP 68 -4.074 14.744 -3.666 590 H LYS 69 H LYS 69 -2.206 13.601 -2.583 591 HA LYS 69 HA LYS 69 -0.532 12.491 -4.540 592 HB2 LYS 69 2HB LYS 69 -0.001 13.535 -1.784 593 HB3 LYS 69 1HB LYS 69 1.290 12.791 -2.717 594 HG2 LYS 69 2HG LYS 69 0.715 14.432 -4.556 595 HG3 LYS 69 1HG LYS 69 -0.270 15.269 -3.352 596 HD2 LYS 69 2HD LYS 69 1.976 16.238 -3.522 597 HD3 LYS 69 1HD LYS 69 1.681 15.548 -1.927 598 HE2 LYS 69 2HE LYS 69 3.915 14.978 -2.719 599 HE3 LYS 69 1HE LYS 69 2.917 13.533 -2.564 600 HZ1 LYS 69 3HZ LYS 69 4.257 13.598 -4.618 601 HZ2 LYS 69 1HZ LYS 69 3.400 14.968 -5.116 602 HZ3 LYS 69 2HZ LYS 69 2.598 13.486 -4.927 603 H ILE 70 H ILE 70 -1.295 11.248 -1.280 604 HA ILE 70 HA ILE 70 0.398 9.002 -1.413 605 HB ILE 70 HB ILE 70 -2.195 9.311 0.119 606 HG12 ILE 70 2HG1 ILE 70 0.684 9.714 0.969 607 HG13 ILE 70 1HG1 ILE 70 -0.492 10.993 0.688 608 HG21 ILE 70 1HG2 ILE 70 -1.622 6.968 -0.110 609 HG22 ILE 70 2HG2 ILE 70 -1.323 7.498 1.546 610 HG23 ILE 70 3HG2 ILE 70 0.025 7.292 0.428 611 HD11 ILE 70 3HD1 ILE 70 -0.215 10.575 3.056 612 HD12 ILE 70 1HD1 ILE 70 -0.651 8.880 2.823 613 HD13 ILE 70 2HD1 ILE 70 -1.845 10.146 2.535 614 H LEU 71 H LEU 71 -2.946 9.497 -2.371 615 HA LEU 71 HA LEU 71 -3.609 6.923 -3.185 616 HB2 LEU 71 2HB LEU 71 -4.608 9.603 -3.555 617 HB3 LEU 71 1HB LEU 71 -4.787 8.675 -5.029 618 HG LEU 71 HG LEU 71 -5.810 7.786 -2.333 619 HD11 LEU 71 1HD1 LEU 71 -7.275 9.077 -4.635 620 HD12 LEU 71 2HD1 LEU 71 -6.975 9.798 -3.054 621 HD13 LEU 71 3HD1 LEU 71 -8.026 8.390 -3.195 622 HD21 LEU 71 3HD2 LEU 71 -7.067 6.154 -3.646 623 HD22 LEU 71 1HD2 LEU 71 -5.332 5.965 -3.890 624 HD23 LEU 71 2HD2 LEU 71 -6.314 6.752 -5.124 625 H GLU 72 H GLU 72 -2.011 9.520 -4.977 626 HA GLU 72 HA GLU 72 -1.874 8.235 -7.479 627 HB2 GLU 72 2HB GLU 72 -1.473 10.654 -7.067 628 HB3 GLU 72 1HB GLU 72 0.053 10.246 -6.306 629 HG2 GLU 72 2HG GLU 72 0.879 9.324 -8.388 630 HG3 GLU 72 1HG GLU 72 -0.669 9.660 -9.167 631 H ASP 73 H ASP 73 0.410 8.363 -4.783 632 HA ASP 73 HA ASP 73 2.431 6.818 -5.963 633 HB2 ASP 73 2HB ASP 73 1.669 7.214 -3.069 634 HB3 ASP 73 1HB ASP 73 3.051 6.237 -3.550 635 H GLU 74 H GLU 74 -0.407 5.825 -4.052 636 HA GLU 74 HA GLU 74 0.155 3.054 -4.105 637 HB2 GLU 74 2HB GLU 74 -2.528 4.442 -3.945 638 HB3 GLU 74 1HB GLU 74 -2.240 2.747 -3.586 639 HG2 GLU 74 2HG GLU 74 -0.949 5.021 -2.101 640 HG3 GLU 74 1HG GLU 74 -2.439 4.231 -1.598 641 H GLU 75 H GLU 75 -1.602 5.172 -6.347 642 HA GLU 75 HA GLU 75 -2.578 3.269 -8.135 643 HB2 GLU 75 2HB GLU 75 -1.488 6.033 -8.729 644 HB3 GLU 75 1HB GLU 75 -2.454 5.081 -9.830 645 HG2 GLU 75 2HG GLU 75 -3.334 6.207 -7.194 646 HG3 GLU 75 1HG GLU 75 -3.793 6.786 -8.791 647 H LYS 76 H LYS 76 0.567 4.802 -7.879 648 HA LYS 76 HA LYS 76 1.708 3.666 -10.218 649 HB2 LYS 76 2HB LYS 76 2.454 5.717 -8.845 650 HB3 LYS 76 1HB LYS 76 3.248 4.556 -7.791 651 HG2 LYS 76 2HG LYS 76 4.600 3.772 -9.656 652 HG3 LYS 76 1HG LYS 76 3.781 4.905 -10.735 653 HD2 LYS 76 2HD LYS 76 4.556 6.735 -9.164 654 HD3 LYS 76 1HD LYS 76 5.592 5.525 -8.415 655 HE2 LYS 76 2HE LYS 76 6.823 6.819 -10.074 656 HE3 LYS 76 1HE LYS 76 6.692 5.129 -10.562 657 HZ1 LYS 76 3HZ LYS 76 5.136 5.638 -12.192 658 HZ2 LYS 76 1HZ LYS 76 6.247 6.911 -12.309 659 HZ3 LYS 76 2HZ LYS 76 4.763 7.155 -11.527 660 H HIS 77 H HIS 77 1.611 2.735 -6.823 661 HA HIS 77 HA HIS 77 3.439 0.629 -6.827 662 HB2 HIS 77 2HB HIS 77 0.894 1.010 -5.250 663 HB3 HIS 77 1HB HIS 77 2.007 -0.316 -4.960 664 HD2 HIS 77 2HD HIS 77 4.248 2.528 -5.590 665 HE1 HIS 77 1HE HIS 77 3.342 2.732 -1.468 666 HE2 HIS 77 2HE HIS 77 4.697 3.747 -3.343 667 H ILE 78 H ILE 78 -0.062 0.548 -7.427 668 HA ILE 78 HA ILE 78 -0.286 -2.219 -7.820 669 HB ILE 78 HB ILE 78 -1.980 -0.066 -9.106 670 HG12 ILE 78 2HG1 ILE 78 -2.346 -1.461 -6.441 671 HG13 ILE 78 1HG1 ILE 78 -1.805 0.201 -6.645 672 HG21 ILE 78 1HG2 ILE 78 -2.337 -2.253 -10.080 673 HG22 ILE 78 2HG2 ILE 78 -3.729 -1.799 -9.097 674 HG23 ILE 78 3HG2 ILE 78 -2.554 -2.961 -8.479 675 HD11 ILE 78 3HD1 ILE 78 -4.151 0.122 -6.057 676 HD12 ILE 78 1HD1 ILE 78 -4.485 -0.897 -7.458 677 HD13 ILE 78 2HD1 ILE 78 -3.943 0.764 -7.686 678 H GLU 79 H GLU 79 0.459 0.400 -10.050 679 HA GLU 79 HA GLU 79 0.252 -1.023 -12.446 680 HB2 GLU 79 2HB GLU 79 0.361 1.440 -12.259 681 HB3 GLU 79 1HB GLU 79 2.055 1.312 -11.802 682 HG2 GLU 79 2HG GLU 79 2.532 0.262 -13.960 683 HG3 GLU 79 1HG GLU 79 0.845 0.474 -14.419 684 H TRP 80 H TRP 80 2.986 -0.553 -10.234 685 HA TRP 80 HA TRP 80 4.981 -1.740 -11.797 686 HB2 TRP 80 2HB TRP 80 4.681 -1.674 -8.787 687 HB3 TRP 80 1HB TRP 80 6.140 -2.178 -9.628 688 HD1 TRP 80 HD TRP 80 5.679 0.362 -11.823 689 HE1 TRP 80 1HE TRP 80 6.549 2.656 -11.043 690 HE3 TRP 80 3HE TRP 80 5.923 -0.530 -6.790 691 HZ2 TRP 80 2HZ TRP 80 7.247 3.917 -8.610 692 HZ3 TRP 80 3HZ TRP 80 6.710 1.267 -5.305 693 HH2 TRP 80 HH TRP 80 7.359 3.446 -6.202 694 H HIS 81 H HIS 81 2.735 -3.157 -9.459 695 HA HIS 81 HA HIS 81 3.837 -5.767 -9.618 696 HB2 HIS 81 2HB HIS 81 1.245 -4.704 -8.518 697 HB3 HIS 81 1HB HIS 81 1.630 -6.424 -8.506 698 HD1 HIS 81 1HD HIS 81 3.530 -7.202 -6.890 699 HD2 HIS 81 2HD HIS 81 2.678 -3.135 -6.725 700 HE1 HIS 81 1HE HIS 81 4.796 -6.286 -4.896 701 H LYS 82 H LYS 82 1.330 -4.104 -11.425 702 HA LYS 82 HA LYS 82 0.190 -6.311 -12.727 703 HB2 LYS 82 2HB LYS 82 0.685 -3.532 -13.821 704 HB3 LYS 82 1HB LYS 82 -0.363 -4.732 -14.559 705 HG2 LYS 82 2HG LYS 82 -1.812 -4.677 -12.591 706 HG3 LYS 82 1HG LYS 82 -0.756 -3.468 -11.854 707 HD2 LYS 82 2HD LYS 82 -1.188 -1.986 -13.803 708 HD3 LYS 82 1HD LYS 82 -2.346 -3.174 -14.401 709 HE2 LYS 82 2HE LYS 82 -3.673 -2.909 -12.368 710 HE3 LYS 82 1HE LYS 82 -2.508 -1.734 -11.756 711 HZ1 LYS 82 3HZ LYS 82 -3.017 -0.399 -13.806 712 HZ2 LYS 82 1HZ LYS 82 -4.284 -0.513 -12.683 713 HZ3 LYS 82 2HZ LYS 82 -4.312 -1.454 -14.091 714 H ALA 83 H ALA 83 2.990 -4.317 -13.598 715 HA ALA 83 HA ALA 83 3.609 -5.630 -16.013 716 HB1 ALA 83 1HB ALA 83 5.469 -4.130 -14.171 717 HB2 ALA 83 2HB ALA 83 4.453 -3.402 -15.416 718 HB3 ALA 83 3HB ALA 83 5.753 -4.503 -15.873 719 H ALA 84 H ALA 84 4.660 -6.150 -12.695 720 HA ALA 84 HA ALA 84 6.584 -8.148 -13.282 721 HB1 ALA 84 1HB ALA 84 5.072 -7.667 -10.717 722 HB2 ALA 84 2HB ALA 84 6.585 -6.888 -11.184 723 HB3 ALA 84 3HB ALA 84 6.540 -8.627 -10.900 724 H SER 85 H SER 85 3.134 -8.191 -12.810 725 HA SER 85 HA SER 85 2.918 -11.001 -12.334 726 HB2 SER 85 2HB SER 85 1.238 -9.323 -11.563 727 HB3 SER 85 1HB SER 85 0.773 -9.069 -13.247 728 HG SER 85 HG SER 85 0.430 -11.469 -13.218 729 H LYS 86 H LYS 86 3.716 -9.312 -15.068 730 HA LYS 86 HA LYS 86 2.404 -11.199 -16.881 731 HB2 LYS 86 2HB LYS 86 4.059 -8.760 -17.551 732 HB3 LYS 86 1HB LYS 86 3.128 -9.729 -18.685 733 HG2 LYS 86 2HG LYS 86 1.064 -9.081 -17.499 734 HG3 LYS 86 1HG LYS 86 2.028 -8.050 -16.440 735 HD2 LYS 86 2HD LYS 86 1.051 -6.702 -18.177 736 HD3 LYS 86 1HD LYS 86 2.796 -6.798 -18.439 737 HE2 LYS 86 2HE LYS 86 2.447 -8.542 -20.115 738 HE3 LYS 86 1HE LYS 86 0.708 -8.461 -19.843 739 HZ1 LYS 86 3HZ LYS 86 2.441 -6.335 -20.976 740 HZ2 LYS 86 1HZ LYS 86 0.816 -6.098 -20.547 741 HZ3 LYS 86 2HZ LYS 86 1.213 -7.201 -21.770 742 H GLN 87 H GLN 87 5.632 -9.808 -16.342 743 HA GLN 87 HA GLN 87 6.834 -12.425 -16.729 744 HB2 GLN 87 2HB GLN 87 7.394 -10.053 -18.502 745 HB3 GLN 87 1HB GLN 87 8.588 -11.319 -18.260 746 HG2 GLN 87 2HG GLN 87 7.028 -12.969 -19.140 747 HG3 GLN 87 1HG GLN 87 5.815 -11.710 -19.364 748 HE21 GLN 87 1HE2 GLN 87 7.144 -13.523 -21.253 749 HE22 GLN 87 2HE2 GLN 87 7.843 -12.506 -22.471 750 H GLY 88 H GLY 88 7.713 -12.542 -14.749 751 HA2 GLY 88 2HA GLY 88 9.984 -10.891 -14.171 752 HA3 GLY 88 1HA GLY 88 8.625 -10.561 -13.107 753 H ASN 89 H ASN 89 11.329 -11.787 -12.663 754 HA ASN 89 HA ASN 89 10.488 -14.414 -11.650 755 HB2 ASN 89 2HB ASN 89 13.232 -13.251 -12.162 756 HB3 ASN 89 1HB ASN 89 12.966 -14.789 -11.349 757 HD21 ASN 89 1HD2 ASN 89 12.760 -13.067 -14.369 758 HD22 ASN 89 2HD2 ASN 89 12.558 -14.459 -15.376 759 H ALA 90 H ALA 90 12.102 -14.894 -9.597 760 HA ALA 90 HA ALA 90 10.738 -13.500 -7.540 761 HB1 ALA 90 1HB ALA 90 11.376 -15.857 -7.355 762 HB2 ALA 90 2HB ALA 90 12.003 -14.906 -6.009 763 HB3 ALA 90 3HB ALA 90 13.077 -15.390 -7.322 764 H GLU 91 H GLU 91 13.983 -13.256 -8.871 765 HA GLU 91 HA GLU 91 15.181 -11.797 -6.809 766 HB2 GLU 91 2HB GLU 91 15.731 -11.922 -9.767 767 HB3 GLU 91 1HB GLU 91 16.766 -11.084 -8.629 768 HG2 GLU 91 2HG GLU 91 17.286 -13.109 -7.487 769 HG3 GLU 91 1HG GLU 91 16.078 -13.996 -8.416 770 H GLN 92 H GLN 92 13.641 -10.629 -9.807 771 HA GLN 92 HA GLN 92 13.870 -7.876 -9.099 772 HB2 GLN 92 2HB GLN 92 12.071 -9.290 -11.075 773 HB3 GLN 92 1HB GLN 92 12.115 -7.544 -10.884 774 HG2 GLN 92 2HG GLN 92 14.437 -9.276 -11.702 775 HG3 GLN 92 1HG GLN 92 13.449 -8.290 -12.781 776 HE21 GLN 92 1HE2 GLN 92 15.971 -8.297 -10.419 777 HE22 GLN 92 2HE2 GLN 92 16.435 -6.640 -10.608 778 H PHE 93 H PHE 93 11.429 -10.337 -8.581 779 HA PHE 93 HA PHE 93 9.307 -8.636 -7.849 780 HB2 PHE 93 2HB PHE 93 9.007 -10.997 -8.499 781 HB3 PHE 93 1HB PHE 93 9.809 -11.499 -7.016 782 HD1 PHE 93 2HD PHE 93 6.983 -9.289 -8.054 783 HD2 PHE 93 1HD PHE 93 8.464 -12.164 -5.291 784 HE1 PHE 93 2HE PHE 93 4.823 -9.265 -6.882 785 HE2 PHE 93 1HE PHE 93 6.305 -12.149 -4.113 786 HZ PHE 93 HZ PHE 93 4.480 -10.696 -4.908 787 H ALA 94 H ALA 94 11.704 -10.367 -5.880 788 HA ALA 94 HA ALA 94 10.773 -9.551 -3.368 789 HB1 ALA 94 1HB ALA 94 12.410 -11.341 -3.698 790 HB2 ALA 94 2HB ALA 94 12.980 -10.140 -2.540 791 HB3 ALA 94 3HB ALA 94 13.613 -10.147 -4.186 792 H SER 95 H SER 95 12.874 -7.956 -5.683 793 HA SER 95 HA SER 95 13.700 -5.851 -3.948 794 HB2 SER 95 2HB SER 95 14.817 -6.634 -6.132 795 HB3 SER 95 1HB SER 95 13.578 -5.695 -6.967 796 HG SER 95 HG SER 95 14.322 -3.847 -5.831 797 H LEU 96 H LEU 96 11.082 -6.298 -6.273 798 HA LEU 96 HA LEU 96 10.020 -3.693 -6.236 799 HB2 LEU 96 2HB LEU 96 9.377 -5.337 -7.904 800 HB3 LEU 96 1HB LEU 96 8.683 -6.366 -6.670 801 HG LEU 96 HG LEU 96 6.913 -4.741 -6.253 802 HD11 LEU 96 1HD1 LEU 96 8.163 -2.695 -6.714 803 HD12 LEU 96 2HD1 LEU 96 6.686 -2.755 -7.676 804 HD13 LEU 96 3HD1 LEU 96 8.242 -3.112 -8.425 805 HD21 LEU 96 3HD2 LEU 96 7.262 -5.343 -9.188 806 HD22 LEU 96 1HD2 LEU 96 5.749 -4.924 -8.389 807 HD23 LEU 96 2HD2 LEU 96 6.573 -6.428 -7.983 808 H VAL 97 H VAL 97 9.240 -6.568 -4.325 809 HA VAL 97 HA VAL 97 7.179 -5.506 -2.777 810 HB VAL 97 HB VAL 97 9.197 -7.622 -2.002 811 HG11 VAL 97 1HG1 VAL 97 7.544 -8.356 -0.356 812 HG12 VAL 97 2HG1 VAL 97 6.505 -6.997 -0.786 813 HG13 VAL 97 3HG1 VAL 97 8.074 -6.706 -0.032 814 HG21 VAL 97 3HG2 VAL 97 6.444 -7.832 -3.212 815 HG22 VAL 97 1HG2 VAL 97 7.422 -9.195 -2.666 816 HG23 VAL 97 2HG2 VAL 97 7.973 -8.195 -4.012 817 H GLN 98 H GLN 98 10.683 -5.509 -2.188 818 HA GLN 98 HA GLN 98 10.562 -4.313 0.361 819 HB2 GLN 98 2HB GLN 98 12.566 -5.465 -0.504 820 HB3 GLN 98 1HB GLN 98 12.801 -4.164 -1.663 821 HG2 GLN 98 2HG GLN 98 13.214 -2.586 0.086 822 HG3 GLN 98 1HG GLN 98 12.789 -3.770 1.318 823 HE21 GLN 98 1HE2 GLN 98 15.258 -2.236 0.900 824 HE22 GLN 98 2HE2 GLN 98 16.523 -3.412 0.799 825 H GLN 99 H GLN 99 10.893 -2.907 -2.880 826 HA GLN 99 HA GLN 99 11.234 -0.232 -2.058 827 HB2 GLN 99 2HB GLN 99 11.720 -0.948 -4.336 828 HB3 GLN 99 1HB GLN 99 10.028 -1.345 -4.598 829 HG2 GLN 99 2HG GLN 99 9.435 1.013 -4.349 830 HG3 GLN 99 1HG GLN 99 11.133 1.410 -4.093 831 HE21 GLN 99 1HE2 GLN 99 11.145 2.780 -5.886 832 HE22 GLN 99 2HE2 GLN 99 11.146 2.157 -7.506 833 H HIS 100 H HIS 100 8.346 -2.090 -2.890 834 HA HIS 100 HA HIS 100 6.433 -0.068 -2.578 835 HB2 HIS 100 2HB HIS 100 6.159 -2.419 -3.542 836 HB3 HIS 100 1HB HIS 100 6.040 -2.986 -1.882 837 HD1 HIS 100 1HD HIS 100 3.734 -3.207 -4.048 838 HD2 HIS 100 2HD HIS 100 4.018 -0.344 -1.044 839 HE1 HIS 100 1HE HIS 100 1.387 -2.382 -3.629 840 H LEU 101 H LEU 101 7.835 -2.354 -0.277 841 HA LEU 101 HA LEU 101 6.276 -1.809 1.962 842 HB2 LEU 101 2HB LEU 101 7.867 -3.680 1.740 843 HB3 LEU 101 1HB LEU 101 9.199 -2.551 1.856 844 HG LEU 101 HG LEU 101 8.462 -1.963 4.152 845 HD11 LEU 101 1HD1 LEU 101 6.107 -2.527 3.941 846 HD12 LEU 101 2HD1 LEU 101 6.848 -3.399 5.283 847 HD13 LEU 101 3HD1 LEU 101 6.517 -4.233 3.763 848 HD21 LEU 101 3HD2 LEU 101 9.004 -4.886 3.650 849 HD22 LEU 101 1HD2 LEU 101 9.211 -4.054 5.191 850 HD23 LEU 101 2HD2 LEU 101 10.211 -3.609 3.809 851 H GLN 102 H GLN 102 9.232 -0.226 0.827 852 HA GLN 102 HA GLN 102 9.784 1.372 3.005 853 HB2 GLN 102 2HB GLN 102 10.221 1.863 0.060 854 HB3 GLN 102 1HB GLN 102 10.995 2.737 1.349 855 HG2 GLN 102 2HG GLN 102 11.267 -0.214 0.969 856 HG3 GLN 102 1HG GLN 102 12.382 0.965 0.289 857 HE21 GLN 102 1HE2 GLN 102 14.111 0.122 1.436 858 HE22 GLN 102 2HE2 GLN 102 14.291 0.361 3.144 859 H ASP 103 H ASP 103 7.687 1.967 0.217 860 HA ASP 103 HA ASP 103 7.180 4.697 0.825 861 HB2 ASP 103 2HB ASP 103 6.831 3.342 -1.408 862 HB3 ASP 103 1HB ASP 103 5.241 3.027 -0.731 863 H GLU 104 H GLU 104 5.375 1.693 1.371 864 HA GLU 104 HA GLU 104 3.035 2.867 2.368 865 HB2 GLU 104 2HB GLU 104 4.162 0.133 2.993 866 HB3 GLU 104 1HB GLU 104 2.510 0.650 3.301 867 HG2 GLU 104 2HG GLU 104 3.811 0.434 0.594 868 HG3 GLU 104 1HG GLU 104 2.679 -0.719 1.293 869 H GLN 105 H GLN 105 6.039 2.016 4.015 870 HA GLN 105 HA GLN 105 5.138 2.218 6.656 871 HB2 GLN 105 2HB GLN 105 7.845 2.890 5.498 872 HB3 GLN 105 1HB GLN 105 7.496 2.703 7.201 873 HG2 GLN 105 2HG GLN 105 6.835 0.366 6.776 874 HG3 GLN 105 1HG GLN 105 7.326 0.576 5.095 875 HE21 GLN 105 1HE2 GLN 105 8.935 -0.925 5.155 876 HE22 GLN 105 2HE2 GLN 105 10.404 -0.716 6.045 877 H ARG 106 H ARG 106 6.560 4.638 4.503 878 HA ARG 106 HA ARG 106 6.364 6.798 6.336 879 HB2 ARG 106 2HB ARG 106 6.884 6.557 3.393 880 HB3 ARG 106 1HB ARG 106 6.529 8.137 4.072 881 HG2 ARG 106 2HG ARG 106 8.944 7.690 3.865 882 HG3 ARG 106 1HG ARG 106 8.443 8.006 5.524 883 HD2 ARG 106 2HD ARG 106 8.579 5.701 6.092 884 HD3 ARG 106 1HD ARG 106 8.773 5.231 4.405 885 HE ARG 106 HE ARG 106 10.976 6.339 4.492 886 HH11 ARG 106 1HH1 ARG 106 9.454 5.511 7.551 887 HH12 ARG 106 2HH1 ARG 106 10.971 5.255 8.362 888 HH21 ARG 106 1HH2 ARG 106 12.967 6.028 5.592 889 HH22 ARG 106 2HH2 ARG 106 12.950 5.567 7.272 890 H HIS 107 H HIS 107 4.184 5.472 3.902 891 HA HIS 107 HA HIS 107 2.213 7.455 3.892 892 HB2 HIS 107 2HB HIS 107 1.966 4.445 3.717 893 HB3 HIS 107 1HB HIS 107 0.594 5.528 3.520 894 HD2 HIS 107 2HD HIS 107 3.356 7.246 1.778 895 HE1 HIS 107 1HE HIS 107 1.682 4.635 -1.096 896 HE2 HIS 107 2HE HIS 107 3.444 6.407 -0.670 897 H VAL 108 H VAL 108 2.563 4.625 6.006 898 HA VAL 108 HA VAL 108 0.420 5.173 7.729 899 HB VAL 108 HB VAL 108 3.019 3.735 8.316 900 HG11 VAL 108 1HG1 VAL 108 0.434 3.697 9.877 901 HG12 VAL 108 2HG1 VAL 108 1.949 4.442 10.395 902 HG13 VAL 108 3HG1 VAL 108 1.847 2.692 10.193 903 HG21 VAL 108 3HG2 VAL 108 1.684 1.702 7.955 904 HG22 VAL 108 1HG2 VAL 108 1.767 2.716 6.514 905 HG23 VAL 108 2HG2 VAL 108 0.306 2.705 7.502 906 H GLU 109 H GLU 109 3.832 6.070 7.910 907 HA GLU 109 HA GLU 109 3.804 7.287 10.415 908 HB2 GLU 109 2HB GLU 109 5.554 7.540 7.997 909 HB3 GLU 109 1HB GLU 109 5.847 8.519 9.420 910 HG2 GLU 109 2HG GLU 109 6.035 6.498 10.776 911 HG3 GLU 109 1HG GLU 109 5.753 5.520 9.339 912 H GLU 110 H GLU 110 2.990 8.604 7.252 913 HA GLU 110 HA GLU 110 2.854 11.320 8.118 914 HB2 GLU 110 2HB GLU 110 3.127 10.568 5.734 915 HB3 GLU 110 1HB GLU 110 1.446 10.058 5.760 916 HG2 GLU 110 2HG GLU 110 1.504 12.170 4.720 917 HG3 GLU 110 1HG GLU 110 0.832 12.419 6.328 918 H ILE 111 H ILE 111 0.411 8.800 7.559 919 HA ILE 111 HA ILE 111 -1.812 10.469 8.188 920 HB ILE 111 HB ILE 111 -1.678 7.450 8.080 921 HG12 ILE 111 2HG1 ILE 111 -2.491 9.461 5.971 922 HG13 ILE 111 1HG1 ILE 111 -0.984 8.550 5.981 923 HG21 ILE 111 1HG2 ILE 111 -4.044 9.321 7.969 924 HG22 ILE 111 2HG2 ILE 111 -3.642 8.224 9.290 925 HG23 ILE 111 3HG2 ILE 111 -4.106 7.575 7.718 926 HD11 ILE 111 3HD1 ILE 111 -2.609 7.596 4.445 927 HD12 ILE 111 1HD1 ILE 111 -3.746 7.374 5.774 928 HD13 ILE 111 2HD1 ILE 111 -2.227 6.476 5.753 929 H GLU 112 H GLU 112 0.160 8.240 10.023 930 HA GLU 112 HA GLU 112 -1.430 7.678 12.199 931 HB2 GLU 112 2HB GLU 112 1.019 7.026 11.364 932 HB3 GLU 112 1HB GLU 112 1.467 8.176 12.610 933 HG2 GLU 112 2HG GLU 112 -0.409 5.926 13.180 934 HG3 GLU 112 1HG GLU 112 1.336 5.704 13.186 935 H LYS 113 H LYS 113 0.213 10.660 11.445 936 HA LYS 113 HA LYS 113 0.159 11.528 14.206 937 HB2 LYS 113 2HB LYS 113 1.117 13.056 11.797 938 HB3 LYS 113 1HB LYS 113 1.412 13.459 13.484 939 HG2 LYS 113 2HG LYS 113 2.513 11.131 11.929 940 HG3 LYS 113 1HG LYS 113 3.398 12.476 12.652 941 HD2 LYS 113 2HD LYS 113 2.955 11.695 14.853 942 HD3 LYS 113 1HD LYS 113 1.781 10.512 14.265 943 HE2 LYS 113 2HE LYS 113 3.681 9.435 13.003 944 HE3 LYS 113 1HE LYS 113 4.770 10.494 13.899 945 HZ1 LYS 113 3HZ LYS 113 3.942 9.535 15.965 946 HZ2 LYS 113 1HZ LYS 113 4.585 8.330 14.953 947 HZ3 LYS 113 2HZ LYS 113 2.903 8.510 15.096 948 H LYS 114 H LYS 114 -0.340 13.941 11.881 949 HA LYS 114 HA LYS 114 -3.185 14.172 12.496 950 HB2 LYS 114 2HB LYS 114 -1.870 15.320 14.317 951 HB3 LYS 114 1HB LYS 114 -1.255 16.419 13.092 952 HG2 LYS 114 2HG LYS 114 -3.619 17.060 12.599 953 HG3 LYS 114 1HG LYS 114 -4.100 16.117 14.012 954 HD2 LYS 114 2HD LYS 114 -2.318 18.546 13.928 955 HD3 LYS 114 1HD LYS 114 -3.890 18.387 14.713 956 HE2 LYS 114 2HE LYS 114 -2.958 16.797 16.298 957 HE3 LYS 114 1HE LYS 114 -1.393 16.885 15.491 958 HZ1 LYS 114 3HZ LYS 114 -1.405 19.307 16.035 959 HZ2 LYS 114 1HZ LYS 114 -1.307 18.287 17.384 960 HZ3 LYS 114 2HZ LYS 114 -2.775 19.040 16.989 961 H ASN 115 H ASN 115 -0.437 15.947 11.104 962 HA ASN 115 HA ASN 115 -0.139 17.074 9.167 963 HB2 ASN 115 2HB ASN 115 -0.869 14.917 8.127 964 HB3 ASN 115 1HB ASN 115 -2.518 15.542 8.093 965 HD21 ASN 115 1HD2 ASN 115 0.697 15.846 6.781 966 HD22 ASN 115 2HD2 ASN 115 0.251 16.785 5.401 Start of MODEL 9 1 H1 MET 1 H1 MET 1 -14.645 5.632 7.632 2 H2 MET 1 H2 MET 1 -14.496 7.263 7.166 3 H3 MET 1 H3 MET 1 -15.788 6.324 6.591 4 HA MET 1 HA MET 1 -16.518 7.821 8.324 5 HB2 MET 1 2HB MET 1 -17.517 5.515 8.046 6 HB3 MET 1 1HB MET 1 -16.457 4.964 9.332 7 HG2 MET 1 2HG MET 1 -18.433 7.196 9.694 8 HG3 MET 1 1HG MET 1 -18.839 5.504 9.973 9 HE1 MET 1 2HE MET 1 -18.550 7.103 13.577 10 HE2 MET 1 3HE MET 1 -19.608 6.241 12.457 11 HE3 MET 1 1HE MET 1 -19.121 7.900 12.110 12 H ASP 2 H ASP 2 -14.102 5.473 9.415 13 HA ASP 2 HA ASP 2 -13.335 7.353 11.542 14 HB2 ASP 2 2HB ASP 2 -13.719 4.919 12.122 15 HB3 ASP 2 1HB ASP 2 -12.331 4.528 11.109 16 H GLU 3 H GLU 3 -12.265 8.862 10.317 17 HA GLU 3 HA GLU 3 -10.399 8.113 8.283 18 HB2 GLU 3 2HB GLU 3 -11.246 10.737 9.478 19 HB3 GLU 3 1HB GLU 3 -9.883 10.651 8.374 20 HG2 GLU 3 2HG GLU 3 -11.855 11.274 7.165 21 HG3 GLU 3 1HG GLU 3 -11.353 9.662 6.668 22 H LEU 4 H LEU 4 -9.600 6.843 10.493 23 HA LEU 4 HA LEU 4 -6.893 7.853 10.674 24 HB2 LEU 4 2HB LEU 4 -7.932 8.832 12.666 25 HB3 LEU 4 1HB LEU 4 -8.530 7.255 13.146 26 HG LEU 4 HG LEU 4 -6.212 6.471 13.444 27 HD11 LEU 4 1HD1 LEU 4 -5.464 9.328 12.834 28 HD12 LEU 4 2HD1 LEU 4 -5.124 7.925 11.817 29 HD13 LEU 4 3HD1 LEU 4 -4.369 8.068 13.406 30 HD21 LEU 4 3HD2 LEU 4 -6.922 8.988 14.942 31 HD22 LEU 4 1HD2 LEU 4 -5.704 7.814 15.444 32 HD23 LEU 4 2HD2 LEU 4 -7.400 7.344 15.360 33 H ARG 5 H ARG 5 -9.013 5.398 12.182 34 HA ARG 5 HA ARG 5 -6.958 3.438 12.101 35 HB2 ARG 5 2HB ARG 5 -9.892 3.307 12.773 36 HB3 ARG 5 1HB ARG 5 -8.813 1.932 12.879 37 HG2 ARG 5 2HG ARG 5 -8.515 4.508 14.394 38 HG3 ARG 5 1HG ARG 5 -9.116 2.984 15.050 39 HD2 ARG 5 2HD ARG 5 -7.006 1.933 14.783 40 HD3 ARG 5 1HD ARG 5 -6.395 3.258 13.792 41 HE ARG 5 HE ARG 5 -7.127 4.196 16.371 42 HH11 ARG 5 1HH1 ARG 5 -4.670 2.292 14.752 43 HH12 ARG 5 2HH1 ARG 5 -3.396 2.762 15.840 44 HH21 ARG 5 1HH2 ARG 5 -5.450 4.864 17.784 45 HH22 ARG 5 2HH2 ARG 5 -3.840 4.231 17.566 46 H GLU 6 H GLU 6 -9.941 3.952 10.202 47 HA GLU 6 HA GLU 6 -9.697 1.646 8.602 48 HB2 GLU 6 2HB GLU 6 -10.957 4.329 8.007 49 HB3 GLU 6 1HB GLU 6 -11.069 2.948 6.931 50 HG2 GLU 6 2HG GLU 6 -12.148 1.683 8.792 51 HG3 GLU 6 1HG GLU 6 -12.182 3.186 9.712 52 H LEU 7 H LEU 7 -8.389 4.880 8.304 53 HA LEU 7 HA LEU 7 -7.303 4.575 5.701 54 HB2 LEU 7 2HB LEU 7 -7.801 6.687 7.247 55 HB3 LEU 7 1HB LEU 7 -6.114 6.472 7.667 56 HG LEU 7 HG LEU 7 -5.567 6.619 5.221 57 HD11 LEU 7 1HD1 LEU 7 -7.752 6.021 4.335 58 HD12 LEU 7 2HD1 LEU 7 -7.251 7.607 3.747 59 HD13 LEU 7 3HD1 LEU 7 -8.450 7.482 5.034 60 HD21 LEU 7 3HD2 LEU 7 -5.286 8.515 6.737 61 HD22 LEU 7 1HD2 LEU 7 -6.960 8.993 6.461 62 HD23 LEU 7 2HD2 LEU 7 -5.798 9.050 5.137 63 H LEU 8 H LEU 8 -5.882 4.449 8.953 64 HA LEU 8 HA LEU 8 -3.223 4.009 8.143 65 HB2 LEU 8 2HB LEU 8 -4.046 4.792 10.393 66 HB3 LEU 8 1HB LEU 8 -4.480 3.132 10.736 67 HG LEU 8 HG LEU 8 -2.106 2.478 10.491 68 HD11 LEU 8 1HD1 LEU 8 -0.390 4.211 10.411 69 HD12 LEU 8 2HD1 LEU 8 -1.636 5.448 10.246 70 HD13 LEU 8 3HD1 LEU 8 -1.406 4.253 8.969 71 HD21 LEU 8 3HD2 LEU 8 -2.994 2.961 12.695 72 HD22 LEU 8 1HD2 LEU 8 -2.668 4.680 12.478 73 HD23 LEU 8 2HD2 LEU 8 -1.332 3.536 12.578 74 H LYS 9 H LYS 9 -5.755 1.752 9.179 75 HA LYS 9 HA LYS 9 -4.184 -0.560 9.177 76 HB2 LYS 9 2HB LYS 9 -7.144 -0.207 8.780 77 HB3 LYS 9 1HB LYS 9 -6.380 -1.787 8.832 78 HG2 LYS 9 2HG LYS 9 -5.443 -1.077 11.092 79 HG3 LYS 9 1HG LYS 9 -6.604 0.250 11.021 80 HD2 LYS 9 2HD LYS 9 -7.805 -1.349 12.168 81 HD3 LYS 9 1HD LYS 9 -8.313 -1.660 10.507 82 HE2 LYS 9 2HE LYS 9 -6.171 -3.154 12.017 83 HE3 LYS 9 1HE LYS 9 -7.801 -3.736 11.697 84 HZ1 LYS 9 3HZ LYS 9 -5.726 -3.155 9.655 85 HZ2 LYS 9 1HZ LYS 9 -7.294 -3.689 9.320 86 HZ3 LYS 9 2HZ LYS 9 -6.218 -4.692 10.156 87 H ALA 10 H ALA 10 -5.849 1.048 6.523 88 HA ALA 10 HA ALA 10 -5.711 -0.987 4.614 89 HB1 ALA 10 1HB ALA 10 -5.855 0.785 2.940 90 HB2 ALA 10 2HB ALA 10 -5.442 1.987 4.163 91 HB3 ALA 10 3HB ALA 10 -6.958 1.095 4.280 92 H GLU 11 H GLU 11 -3.348 1.515 5.458 93 HA GLU 11 HA GLU 11 -1.377 0.651 3.598 94 HB2 GLU 11 2HB GLU 11 -1.177 2.336 6.101 95 HB3 GLU 11 1HB GLU 11 0.147 2.092 4.969 96 HG2 GLU 11 2HG GLU 11 -2.503 3.241 4.160 97 HG3 GLU 11 1HG GLU 11 -1.153 4.228 4.717 98 H GLN 12 H GLN 12 -1.880 0.126 7.065 99 HA GLN 12 HA GLN 12 0.425 -1.381 7.572 100 HB2 GLN 12 2HB GLN 12 -2.284 -1.401 8.901 101 HB3 GLN 12 1HB GLN 12 -0.901 -2.293 9.520 102 HG2 GLN 12 2HG GLN 12 0.327 -0.253 9.858 103 HG3 GLN 12 1HG GLN 12 -0.956 0.687 9.100 104 HE21 GLN 12 1HE2 GLN 12 0.230 0.812 11.790 105 HE22 GLN 12 2HE2 GLN 12 -1.106 0.657 12.882 106 H GLN 13 H GLN 13 -2.701 -2.317 6.277 107 HA GLN 13 HA GLN 13 -2.454 -5.104 6.518 108 HB2 GLN 13 2HB GLN 13 -4.545 -3.910 5.912 109 HB3 GLN 13 1HB GLN 13 -3.851 -3.529 4.347 110 HG2 GLN 13 2HG GLN 13 -5.356 -5.375 4.123 111 HG3 GLN 13 1HG GLN 13 -3.706 -5.936 3.854 112 HE21 GLN 13 1HE2 GLN 13 -4.227 -8.061 4.345 113 HE22 GLN 13 2HE2 GLN 13 -4.552 -8.589 5.963 114 H GLY 14 H GLY 14 -1.501 -2.878 3.963 115 HA2 GLY 14 2HA GLY 14 -0.445 -4.900 2.255 116 HA3 GLY 14 1HA GLY 14 -0.145 -3.175 2.118 117 H ILE 15 H ILE 15 0.995 -2.737 4.671 118 HA ILE 15 HA ILE 15 3.685 -3.346 4.207 119 HB ILE 15 HB ILE 15 2.331 -2.633 6.818 120 HG12 ILE 15 2HG1 ILE 15 3.843 -0.948 4.806 121 HG13 ILE 15 1HG1 ILE 15 2.099 -0.933 5.057 122 HG21 ILE 15 1HG2 ILE 15 4.472 -3.706 7.246 123 HG22 ILE 15 2HG2 ILE 15 4.560 -1.981 7.605 124 HG23 ILE 15 3HG2 ILE 15 5.265 -2.608 6.114 125 HD11 ILE 15 3HD1 ILE 15 4.175 -0.109 7.076 126 HD12 ILE 15 1HD1 ILE 15 2.427 -0.072 7.313 127 HD13 ILE 15 2HD1 ILE 15 3.177 0.977 6.108 128 H LYS 16 H LYS 16 1.311 -4.925 6.316 129 HA LYS 16 HA LYS 16 2.987 -6.864 7.441 130 HB2 LYS 16 2HB LYS 16 0.488 -6.224 7.916 131 HB3 LYS 16 1HB LYS 16 0.135 -7.473 6.734 132 HG2 LYS 16 2HG LYS 16 1.874 -8.004 9.118 133 HG3 LYS 16 1HG LYS 16 0.119 -8.120 9.198 134 HD2 LYS 16 2HD LYS 16 0.200 -9.769 7.334 135 HD3 LYS 16 1HD LYS 16 1.962 -9.706 7.410 136 HE2 LYS 16 2HE LYS 16 1.910 -10.509 9.708 137 HE3 LYS 16 1HE LYS 16 0.146 -10.521 9.681 138 HZ1 LYS 16 3HZ LYS 16 0.872 -12.726 9.308 139 HZ2 LYS 16 1HZ LYS 16 1.991 -12.255 8.123 140 HZ3 LYS 16 2HZ LYS 16 0.327 -12.152 7.811 141 H ILE 17 H ILE 17 1.033 -6.913 4.491 142 HA ILE 17 HA ILE 17 1.700 -9.531 3.649 143 HB ILE 17 HB ILE 17 0.858 -7.125 2.002 144 HG12 ILE 17 2HG1 ILE 17 -0.802 -9.439 3.017 145 HG13 ILE 17 1HG1 ILE 17 -0.712 -7.873 3.816 146 HG21 ILE 17 1HG2 ILE 17 0.182 -8.762 0.306 147 HG22 ILE 17 2HG2 ILE 17 0.846 -10.064 1.295 148 HG23 ILE 17 3HG2 ILE 17 1.916 -8.838 0.617 149 HD11 ILE 17 3HD1 ILE 17 -1.723 -8.375 1.026 150 HD12 ILE 17 1HD1 ILE 17 -1.633 -6.806 1.826 151 HD13 ILE 17 2HD1 ILE 17 -2.710 -8.056 2.451 152 H LEU 18 H LEU 18 3.176 -6.372 2.991 153 HA LEU 18 HA LEU 18 5.046 -7.283 1.092 154 HB2 LEU 18 2HB LEU 18 5.215 -4.941 2.989 155 HB3 LEU 18 1HB LEU 18 6.275 -5.201 1.616 156 HG LEU 18 HG LEU 18 3.288 -4.796 1.430 157 HD11 LEU 18 1HD1 LEU 18 5.535 -2.886 0.833 158 HD12 LEU 18 2HD1 LEU 18 4.412 -2.781 2.190 159 HD13 LEU 18 3HD1 LEU 18 3.820 -2.599 0.538 160 HD21 LEU 18 3HD2 LEU 18 5.407 -4.921 -0.710 161 HD22 LEU 18 1HD2 LEU 18 3.701 -4.553 -0.964 162 HD23 LEU 18 2HD2 LEU 18 4.182 -6.148 -0.386 163 H LYS 19 H LYS 19 5.199 -7.003 4.617 164 HA LYS 19 HA LYS 19 7.840 -7.907 4.912 165 HB2 LYS 19 2HB LYS 19 5.445 -7.917 6.722 166 HB3 LYS 19 1HB LYS 19 7.022 -8.478 7.226 167 HG2 LYS 19 2HG LYS 19 6.986 -5.825 5.983 168 HG3 LYS 19 1HG LYS 19 6.148 -5.958 7.518 169 HD2 LYS 19 2HD LYS 19 8.422 -5.284 7.925 170 HD3 LYS 19 1HD LYS 19 8.197 -6.931 8.514 171 HE2 LYS 19 2HE LYS 19 9.278 -7.817 6.540 172 HE3 LYS 19 1HE LYS 19 9.415 -6.198 5.854 173 HZ1 LYS 19 3HZ LYS 19 10.734 -7.139 8.347 174 HZ2 LYS 19 1HZ LYS 19 10.858 -5.577 7.690 175 HZ3 LYS 19 2HZ LYS 19 11.497 -6.909 6.854 176 H GLU 20 H GLU 20 4.723 -9.524 4.728 177 HA GLU 20 HA GLU 20 5.437 -12.139 5.296 178 HB2 GLU 20 2HB GLU 20 3.313 -10.746 3.733 179 HB3 GLU 20 1HB GLU 20 3.435 -12.475 3.613 180 HG2 GLU 20 2HG GLU 20 3.145 -11.003 6.202 181 HG3 GLU 20 1HG GLU 20 1.788 -11.643 5.280 182 H VAL 21 H VAL 21 5.309 -10.402 2.192 183 HA VAL 21 HA VAL 21 6.106 -12.580 0.580 184 HB VAL 21 HB VAL 21 6.484 -9.629 0.018 185 HG11 VAL 21 1HG1 VAL 21 6.466 -10.327 -2.351 186 HG12 VAL 21 2HG1 VAL 21 6.463 -12.012 -1.828 187 HG13 VAL 21 3HG1 VAL 21 7.840 -10.976 -1.452 188 HG21 VAL 21 3HG2 VAL 21 4.199 -11.465 -0.672 189 HG22 VAL 21 1HG2 VAL 21 4.385 -9.811 -1.249 190 HG23 VAL 21 2HG2 VAL 21 4.156 -10.123 0.471 191 H LEU 22 H LEU 22 7.952 -9.973 2.123 192 HA LEU 22 HA LEU 22 10.444 -10.591 0.973 193 HB2 LEU 22 2HB LEU 22 9.806 -8.493 2.203 194 HB3 LEU 22 1HB LEU 22 9.960 -9.396 3.696 195 HG LEU 22 HG LEU 22 12.335 -9.769 3.252 196 HD11 LEU 22 1HD1 LEU 22 11.876 -8.087 0.793 197 HD12 LEU 22 2HD1 LEU 22 12.268 -9.806 0.822 198 HD13 LEU 22 3HD1 LEU 22 13.442 -8.624 1.399 199 HD21 LEU 22 3HD2 LEU 22 13.092 -7.455 3.527 200 HD22 LEU 22 1HD2 LEU 22 11.678 -7.807 4.522 201 HD23 LEU 22 2HD2 LEU 22 11.498 -6.880 3.033 202 H LYS 23 H LYS 23 8.829 -11.763 3.866 203 HA LYS 23 HA LYS 23 10.975 -13.365 4.832 204 HB2 LYS 23 2HB LYS 23 9.041 -12.615 6.192 205 HB3 LYS 23 1HB LYS 23 7.992 -13.650 5.257 206 HG2 LYS 23 2HG LYS 23 10.327 -14.894 6.608 207 HG3 LYS 23 1HG LYS 23 8.943 -14.413 7.593 208 HD2 LYS 23 2HD LYS 23 7.465 -15.782 6.278 209 HD3 LYS 23 1HD LYS 23 8.756 -16.147 5.132 210 HE2 LYS 23 2HE LYS 23 9.967 -17.364 6.840 211 HE3 LYS 23 1HE LYS 23 8.757 -16.925 8.045 212 HZ1 LYS 23 3HZ LYS 23 8.147 -18.509 5.606 213 HZ2 LYS 23 1HZ LYS 23 7.130 -18.219 6.932 214 HZ3 LYS 23 2HZ LYS 23 8.501 -19.200 7.116 215 H LYS 24 H LYS 24 8.028 -14.052 3.082 216 HA LYS 24 HA LYS 24 8.492 -16.793 2.671 217 HB2 LYS 24 2HB LYS 24 6.690 -14.801 1.337 218 HB3 LYS 24 1HB LYS 24 6.730 -16.484 0.833 219 HG2 LYS 24 2HG LYS 24 6.149 -17.180 3.106 220 HG3 LYS 24 1HG LYS 24 6.107 -15.491 3.608 221 HD2 LYS 24 2HD LYS 24 4.263 -15.056 2.110 222 HD3 LYS 24 1HD LYS 24 4.352 -16.700 1.476 223 HE2 LYS 24 2HE LYS 24 3.683 -15.922 4.312 224 HE3 LYS 24 1HE LYS 24 2.540 -16.481 3.090 225 HZ1 LYS 24 3HZ LYS 24 4.827 -18.070 4.111 226 HZ2 LYS 24 1HZ LYS 24 3.636 -18.604 3.029 227 HZ3 LYS 24 2HZ LYS 24 3.234 -18.237 4.639 228 H ALA 25 H ALA 25 9.717 -14.036 0.986 229 HA ALA 25 HA ALA 25 10.463 -15.267 -1.432 230 HB1 ALA 25 1HB ALA 25 11.861 -13.031 0.039 231 HB2 ALA 25 2HB ALA 25 10.525 -12.843 -1.097 232 HB3 ALA 25 3HB ALA 25 12.080 -13.453 -1.660 233 H LYS 26 H LYS 26 11.790 -15.436 1.779 234 HA LYS 26 HA LYS 26 14.308 -16.578 1.051 235 HB2 LYS 26 2HB LYS 26 12.785 -16.769 3.659 236 HB3 LYS 26 1HB LYS 26 14.466 -17.219 3.424 237 HG2 LYS 26 2HG LYS 26 13.400 -14.433 3.008 238 HG3 LYS 26 1HG LYS 26 14.112 -15.003 4.516 239 HD2 LYS 26 2HD LYS 26 15.909 -13.969 3.488 240 HD3 LYS 26 1HD LYS 26 16.135 -15.652 3.018 241 HE2 LYS 26 2HE LYS 26 15.001 -15.154 0.871 242 HE3 LYS 26 1HE LYS 26 14.912 -13.459 1.348 243 HZ1 LYS 26 3HZ LYS 26 17.342 -15.064 0.799 244 HZ2 LYS 26 1HZ LYS 26 17.396 -13.546 1.561 245 HZ3 LYS 26 2HZ LYS 26 16.798 -13.683 -0.021 246 H GLU 27 H GLU 27 11.093 -17.774 1.626 247 HA GLU 27 HA GLU 27 11.759 -20.557 1.589 248 HB2 GLU 27 2HB GLU 27 9.136 -19.134 1.062 249 HB3 GLU 27 1HB GLU 27 9.314 -20.872 1.264 250 HG2 GLU 27 2HG GLU 27 10.048 -20.572 3.542 251 HG3 GLU 27 1HG GLU 27 10.026 -18.822 3.350 252 H GLY 28 H GLY 28 10.424 -18.264 -0.756 253 HA2 GLY 28 2HA GLY 28 10.824 -18.065 -3.009 254 HA3 GLY 28 1HA GLY 28 12.056 -19.305 -2.848 255 H ASP 29 H ASP 29 8.485 -19.102 -2.691 256 HA ASP 29 HA ASP 29 8.432 -21.337 -4.608 257 HB2 ASP 29 2HB ASP 29 7.643 -22.130 -2.438 258 HB3 ASP 29 1HB ASP 29 6.474 -20.814 -2.360 259 H GLU 30 H GLU 30 7.211 -21.099 -6.379 260 HA GLU 30 HA GLU 30 6.474 -18.487 -7.161 261 HB2 GLU 30 2HB GLU 30 7.274 -20.265 -8.693 262 HB3 GLU 30 1HB GLU 30 5.757 -21.119 -8.455 263 HG2 GLU 30 2HG GLU 30 4.549 -19.215 -9.425 264 HG3 GLU 30 1HG GLU 30 6.088 -18.399 -9.701 265 H GLN 31 H GLN 31 4.598 -21.260 -6.050 266 HA GLN 31 HA GLN 31 2.037 -20.249 -6.748 267 HB2 GLN 31 2HB GLN 31 2.651 -22.150 -4.484 268 HB3 GLN 31 1HB GLN 31 1.164 -22.032 -5.410 269 HG2 GLN 31 2HG GLN 31 2.103 -23.070 -7.274 270 HG3 GLN 31 1HG GLN 31 3.751 -22.792 -6.709 271 HE21 GLN 31 1HE2 GLN 31 4.543 -24.026 -4.976 272 HE22 GLN 31 2HE2 GLN 31 3.861 -25.577 -4.595 273 H GLU 32 H GLU 32 3.940 -20.306 -3.797 274 HA GLU 32 HA GLU 32 2.181 -18.959 -2.094 275 HB2 GLU 32 2HB GLU 32 4.229 -20.156 -1.376 276 HB3 GLU 32 1HB GLU 32 5.207 -18.890 -2.106 277 HG2 GLU 32 2HG GLU 32 5.179 -18.383 0.162 278 HG3 GLU 32 1HG GLU 32 3.999 -17.285 -0.550 279 H LEU 33 H LEU 33 4.824 -17.688 -4.114 280 HA LEU 33 HA LEU 33 4.506 -14.993 -3.373 281 HB2 LEU 33 2HB LEU 33 5.684 -16.197 -5.872 282 HB3 LEU 33 1HB LEU 33 5.799 -14.499 -5.452 283 HG LEU 33 HG LEU 33 6.961 -16.784 -3.853 284 HD11 LEU 33 1HD1 LEU 33 8.285 -14.684 -5.564 285 HD12 LEU 33 2HD1 LEU 33 8.131 -16.397 -5.954 286 HD13 LEU 33 3HD1 LEU 33 9.111 -15.891 -4.578 287 HD21 LEU 33 3HD2 LEU 33 6.305 -14.951 -2.405 288 HD22 LEU 33 1HD2 LEU 33 7.133 -13.798 -3.451 289 HD23 LEU 33 2HD2 LEU 33 8.061 -15.003 -2.558 290 H ALA 34 H ALA 34 3.083 -16.894 -5.985 291 HA ALA 34 HA ALA 34 1.816 -14.776 -7.339 292 HB1 ALA 34 1HB ALA 34 0.897 -17.643 -7.129 293 HB2 ALA 34 2HB ALA 34 2.073 -17.032 -8.293 294 HB3 ALA 34 3HB ALA 34 0.401 -16.472 -8.350 295 H ARG 35 H ARG 35 0.779 -16.818 -4.654 296 HA ARG 35 HA ARG 35 -1.850 -15.806 -4.441 297 HB2 ARG 35 2HB ARG 35 -0.863 -17.918 -3.383 298 HB3 ARG 35 1HB ARG 35 -0.195 -16.858 -2.151 299 HG2 ARG 35 2HG ARG 35 -2.462 -16.110 -1.588 300 HG3 ARG 35 1HG ARG 35 -3.114 -17.216 -2.800 301 HD2 ARG 35 2HD ARG 35 -1.775 -19.018 -1.502 302 HD3 ARG 35 1HD ARG 35 -1.767 -17.833 -0.197 303 HE ARG 35 HE ARG 35 -4.398 -18.049 -1.054 304 HH11 ARG 35 1HH1 ARG 35 -1.963 -20.038 0.479 305 HH12 ARG 35 2HH1 ARG 35 -3.101 -21.128 1.205 306 HH21 ARG 35 1HH2 ARG 35 -5.924 -19.508 -0.146 307 HH22 ARG 35 2HH2 ARG 35 -5.360 -20.851 0.819 308 H LEU 36 H LEU 36 1.221 -14.898 -2.974 309 HA LEU 36 HA LEU 36 0.253 -12.870 -1.277 310 HB2 LEU 36 2HB LEU 36 2.943 -13.150 -2.621 311 HB3 LEU 36 1HB LEU 36 2.585 -12.045 -1.309 312 HG LEU 36 HG LEU 36 2.378 -15.047 -1.097 313 HD11 LEU 36 1HD1 LEU 36 4.441 -14.893 0.229 314 HD12 LEU 36 2HD1 LEU 36 4.564 -13.183 -0.186 315 HD13 LEU 36 3HD1 LEU 36 4.686 -14.407 -1.449 316 HD21 LEU 36 3HD2 LEU 36 2.319 -12.890 1.009 317 HD22 LEU 36 1HD2 LEU 36 2.234 -14.628 1.295 318 HD23 LEU 36 2HD2 LEU 36 0.927 -13.811 0.438 319 H ASN 37 H ASN 37 1.392 -12.807 -4.627 320 HA ASN 37 HA ASN 37 1.297 -10.054 -5.068 321 HB2 ASN 37 2HB ASN 37 2.308 -11.596 -6.667 322 HB3 ASN 37 1HB ASN 37 0.735 -12.311 -7.008 323 HD21 ASN 37 1HD2 ASN 37 -0.669 -11.272 -8.365 324 HD22 ASN 37 2HD2 ASN 37 -0.238 -9.873 -9.280 325 H GLN 38 H GLN 38 -1.250 -12.505 -5.480 326 HA GLN 38 HA GLN 38 -3.289 -10.856 -6.378 327 HB2 GLN 38 2HB GLN 38 -3.317 -13.357 -4.689 328 HB3 GLN 38 1HB GLN 38 -4.738 -12.635 -5.391 329 HG2 GLN 38 2HG GLN 38 -2.398 -13.590 -6.993 330 HG3 GLN 38 1HG GLN 38 -3.825 -14.565 -6.651 331 HE21 GLN 38 1HE2 GLN 38 -4.379 -14.767 -8.792 332 HE22 GLN 38 2HE2 GLN 38 -4.995 -13.451 -9.730 333 H GLU 39 H GLU 39 -2.223 -11.688 -3.122 334 HA GLU 39 HA GLU 39 -4.309 -10.434 -1.704 335 HB2 GLU 39 2HB GLU 39 -2.611 -12.155 -0.869 336 HB3 GLU 39 1HB GLU 39 -1.491 -10.812 -0.697 337 HG2 GLU 39 2HG GLU 39 -2.497 -11.286 1.422 338 HG3 GLU 39 1HG GLU 39 -3.073 -9.724 0.841 339 H ILE 40 H ILE 40 -1.129 -9.288 -2.782 340 HA ILE 40 HA ILE 40 -1.167 -6.771 -1.532 341 HB ILE 40 HB ILE 40 0.130 -7.564 -4.149 342 HG12 ILE 40 2HG1 ILE 40 1.284 -7.304 -1.364 343 HG13 ILE 40 1HG1 ILE 40 0.905 -8.824 -2.164 344 HG21 ILE 40 1HG2 ILE 40 -0.137 -5.150 -4.045 345 HG22 ILE 40 2HG2 ILE 40 1.558 -5.583 -3.831 346 HG23 ILE 40 3HG2 ILE 40 0.584 -5.118 -2.438 347 HD11 ILE 40 3HD1 ILE 40 2.587 -8.384 -3.849 348 HD12 ILE 40 1HD1 ILE 40 3.291 -8.297 -2.235 349 HD13 ILE 40 2HD1 ILE 40 2.933 -6.812 -3.123 350 H VAL 41 H VAL 41 -2.189 -7.723 -4.808 351 HA VAL 41 HA VAL 41 -3.044 -5.177 -5.630 352 HB VAL 41 HB VAL 41 -4.067 -7.872 -6.557 353 HG11 VAL 41 1HG1 VAL 41 -4.662 -6.694 -8.633 354 HG12 VAL 41 2HG1 VAL 41 -4.212 -5.165 -7.878 355 HG13 VAL 41 3HG1 VAL 41 -5.564 -6.097 -7.240 356 HG21 VAL 41 3HG2 VAL 41 -1.647 -7.687 -6.791 357 HG22 VAL 41 1HG2 VAL 41 -1.835 -6.156 -7.645 358 HG23 VAL 41 2HG2 VAL 41 -2.433 -7.647 -8.367 359 H LYS 42 H LYS 42 -4.770 -7.830 -4.064 360 HA LYS 42 HA LYS 42 -7.351 -6.716 -4.198 361 HB2 LYS 42 2HB LYS 42 -6.935 -9.081 -3.721 362 HB3 LYS 42 1HB LYS 42 -6.174 -8.652 -2.195 363 HG2 LYS 42 2HG LYS 42 -8.437 -7.561 -1.623 364 HG3 LYS 42 1HG LYS 42 -9.063 -8.531 -2.958 365 HD2 LYS 42 2HD LYS 42 -7.562 -9.624 -0.576 366 HD3 LYS 42 1HD LYS 42 -9.315 -9.634 -0.758 367 HE2 LYS 42 2HE LYS 42 -7.390 -10.971 -2.657 368 HE3 LYS 42 1HE LYS 42 -8.226 -11.793 -1.341 369 HZ1 LYS 42 3HZ LYS 42 -10.340 -10.972 -2.433 370 HZ2 LYS 42 1HZ LYS 42 -9.491 -12.192 -3.251 371 HZ3 LYS 42 2HZ LYS 42 -9.390 -10.589 -3.781 372 H ALA 43 H ALA 43 -4.887 -6.609 -1.637 373 HA ALA 43 HA ALA 43 -6.566 -5.257 0.217 374 HB1 ALA 43 1HB ALA 43 -4.713 -6.685 0.921 375 HB2 ALA 43 2HB ALA 43 -4.576 -5.061 1.593 376 HB3 ALA 43 3HB ALA 43 -3.566 -5.538 0.229 377 H GLU 44 H GLU 44 -3.886 -4.110 -1.857 378 HA GLU 44 HA GLU 44 -3.976 -1.519 -0.684 379 HB2 GLU 44 2HB GLU 44 -1.903 -2.401 -1.660 380 HB3 GLU 44 1HB GLU 44 -2.638 -2.357 -3.260 381 HG2 GLU 44 2HG GLU 44 -2.561 -0.076 -3.395 382 HG3 GLU 44 1HG GLU 44 -2.588 0.138 -1.648 383 H LYS 45 H LYS 45 -5.245 -2.841 -3.735 384 HA LYS 45 HA LYS 45 -6.179 -0.394 -4.751 385 HB2 LYS 45 2HB LYS 45 -6.080 -2.214 -6.263 386 HB3 LYS 45 1HB LYS 45 -7.080 -3.229 -5.233 387 HG2 LYS 45 2HG LYS 45 -9.033 -2.152 -5.842 388 HG3 LYS 45 1HG LYS 45 -8.189 -0.693 -6.355 389 HD2 LYS 45 2HD LYS 45 -7.888 -3.320 -7.789 390 HD3 LYS 45 1HD LYS 45 -9.163 -2.164 -8.184 391 HE2 LYS 45 2HE LYS 45 -7.372 -0.441 -8.502 392 HE3 LYS 45 1HE LYS 45 -6.184 -1.734 -8.340 393 HZ1 LYS 45 3HZ LYS 45 -6.779 -1.166 -10.670 394 HZ2 LYS 45 1HZ LYS 45 -8.349 -1.726 -10.367 395 HZ3 LYS 45 2HZ LYS 45 -7.039 -2.797 -10.275 396 H GLN 46 H GLN 46 -7.648 -2.706 -2.530 397 HA GLN 46 HA GLN 46 -10.176 -1.498 -2.309 398 HB2 GLN 46 2HB GLN 46 -9.498 -3.734 -1.354 399 HB3 GLN 46 1HB GLN 46 -8.643 -2.862 -0.090 400 HG2 GLN 46 2HG GLN 46 -10.791 -3.580 0.724 401 HG3 GLN 46 1HG GLN 46 -10.754 -1.822 0.604 402 HE21 GLN 46 1HE2 GLN 46 -12.961 -1.611 0.466 403 HE22 GLN 46 2HE2 GLN 46 -13.871 -2.090 -0.928 404 H GLY 47 H GLY 47 -7.160 -0.999 -0.517 405 HA2 GLY 47 2HA GLY 47 -8.084 1.025 1.211 406 HA3 GLY 47 1HA GLY 47 -6.408 0.748 0.763 407 H VAL 48 H VAL 48 -6.708 1.179 -2.042 408 HA VAL 48 HA VAL 48 -6.326 3.931 -2.252 409 HB VAL 48 HB VAL 48 -7.168 1.979 -4.410 410 HG11 VAL 48 1HG1 VAL 48 -7.672 4.267 -5.093 411 HG12 VAL 48 2HG1 VAL 48 -6.312 3.622 -6.012 412 HG13 VAL 48 3HG1 VAL 48 -6.025 4.761 -4.695 413 HG21 VAL 48 3HG2 VAL 48 -5.053 1.392 -3.378 414 HG22 VAL 48 1HG2 VAL 48 -4.454 3.035 -3.615 415 HG23 VAL 48 2HG2 VAL 48 -4.782 2.005 -5.009 416 H LYS 49 H LYS 49 -9.259 2.004 -2.781 417 HA LYS 49 HA LYS 49 -10.839 4.144 -3.738 418 HB2 LYS 49 2HB LYS 49 -11.232 1.435 -3.437 419 HB3 LYS 49 1HB LYS 49 -12.314 2.112 -2.227 420 HG2 LYS 49 2HG LYS 49 -12.315 2.579 -5.195 421 HG3 LYS 49 1HG LYS 49 -13.584 1.863 -4.201 422 HD2 LYS 49 2HD LYS 49 -13.896 4.047 -3.085 423 HD3 LYS 49 1HD LYS 49 -12.674 4.743 -4.151 424 HE2 LYS 49 2HE LYS 49 -14.110 4.010 -6.086 425 HE3 LYS 49 1HE LYS 49 -15.364 3.621 -4.910 426 HZ1 LYS 49 3HZ LYS 49 -14.226 6.277 -5.551 427 HZ2 LYS 49 1HZ LYS 49 -15.124 6.004 -4.139 428 HZ3 LYS 49 2HZ LYS 49 -15.838 5.775 -5.656 429 H VAL 50 H VAL 50 -10.397 2.763 -0.497 430 HA VAL 50 HA VAL 50 -12.198 4.435 0.872 431 HB VAL 50 HB VAL 50 -9.624 3.241 1.945 432 HG11 VAL 50 1HG1 VAL 50 -10.526 4.977 3.395 433 HG12 VAL 50 2HG1 VAL 50 -10.724 3.386 4.131 434 HG13 VAL 50 3HG1 VAL 50 -12.104 4.189 3.379 435 HG21 VAL 50 3HG2 VAL 50 -11.064 1.402 2.746 436 HG22 VAL 50 1HG2 VAL 50 -11.019 1.509 0.985 437 HG23 VAL 50 2HG2 VAL 50 -12.421 2.111 1.871 438 H TYR 51 H TYR 51 -8.738 4.819 0.167 439 HA TYR 51 HA TYR 51 -8.385 7.299 1.443 440 HB2 TYR 51 2HB TYR 51 -6.944 5.768 -0.661 441 HB3 TYR 51 1HB TYR 51 -6.579 7.485 -0.529 442 HD1 TYR 51 2HD TYR 51 -6.786 4.379 1.540 443 HD2 TYR 51 1HD TYR 51 -5.029 8.220 1.031 444 HE1 TYR 51 2HE TYR 51 -5.271 3.936 3.427 445 HE2 TYR 51 1HE TYR 51 -3.517 7.786 2.914 446 HH TYR 51 HH TYR 51 -3.159 4.681 4.309 447 H LYS 52 H LYS 52 -9.369 6.499 -1.863 448 HA LYS 52 HA LYS 52 -9.496 9.142 -2.838 449 HB2 LYS 52 2HB LYS 52 -9.576 6.916 -4.125 450 HB3 LYS 52 1HB LYS 52 -11.291 6.898 -3.749 451 HG2 LYS 52 2HG LYS 52 -11.628 8.949 -4.967 452 HG3 LYS 52 1HG LYS 52 -9.890 9.103 -5.250 453 HD2 LYS 52 2HD LYS 52 -9.960 6.939 -6.470 454 HD3 LYS 52 1HD LYS 52 -11.714 6.934 -6.283 455 HE2 LYS 52 2HE LYS 52 -11.136 7.755 -8.473 456 HE3 LYS 52 1HE LYS 52 -11.821 9.063 -7.511 457 HZ1 LYS 52 3HZ LYS 52 -9.753 10.065 -7.255 458 HZ2 LYS 52 1HZ LYS 52 -9.748 9.558 -8.872 459 HZ3 LYS 52 2HZ LYS 52 -8.894 8.673 -7.700 460 H GLU 53 H GLU 53 -11.890 7.065 -1.271 461 HA GLU 53 HA GLU 53 -14.080 8.802 -1.358 462 HB2 GLU 53 2HB GLU 53 -13.278 6.667 0.620 463 HB3 GLU 53 1HB GLU 53 -14.827 7.473 0.644 464 HG2 GLU 53 2HG GLU 53 -13.770 5.855 -1.653 465 HG3 GLU 53 1HG GLU 53 -14.902 5.270 -0.436 466 H ALA 54 H ALA 54 -11.524 8.378 1.055 467 HA ALA 54 HA ALA 54 -12.506 10.281 2.903 468 HB1 ALA 54 1HB ALA 54 -10.937 8.526 3.539 469 HB2 ALA 54 2HB ALA 54 -10.309 10.121 3.951 470 HB3 ALA 54 3HB ALA 54 -9.690 9.268 2.537 471 H ALA 55 H ALA 55 -10.354 10.535 0.130 472 HA ALA 55 HA ALA 55 -9.289 13.075 0.595 473 HB1 ALA 55 1HB ALA 55 -8.870 13.183 -1.802 474 HB2 ALA 55 2HB ALA 55 -9.993 11.850 -2.074 475 HB3 ALA 55 3HB ALA 55 -8.498 11.575 -1.180 476 H GLU 56 H GLU 56 -12.330 12.110 -0.909 477 HA GLU 56 HA GLU 56 -13.087 14.851 -1.456 478 HB2 GLU 56 2HB GLU 56 -14.703 12.304 -1.666 479 HB3 GLU 56 1HB GLU 56 -15.153 13.871 -2.326 480 HG2 GLU 56 2HG GLU 56 -13.187 13.788 -3.799 481 HG3 GLU 56 1HG GLU 56 -12.800 12.191 -3.161 482 H LYS 57 H LYS 57 -12.916 13.132 1.288 483 HA LYS 57 HA LYS 57 -15.420 14.177 2.414 484 HB2 LYS 57 2HB LYS 57 -15.037 11.709 2.469 485 HB3 LYS 57 1HB LYS 57 -13.639 11.999 3.486 486 HG2 LYS 57 2HG LYS 57 -15.074 12.956 5.207 487 HG3 LYS 57 1HG LYS 57 -16.483 12.679 4.179 488 HD2 LYS 57 2HD LYS 57 -16.040 10.274 4.224 489 HD3 LYS 57 1HD LYS 57 -14.630 10.553 5.247 490 HE2 LYS 57 2HE LYS 57 -17.476 11.245 5.967 491 HE3 LYS 57 1HE LYS 57 -16.596 9.827 6.535 492 HZ1 LYS 57 3HZ LYS 57 -15.003 11.277 7.617 493 HZ2 LYS 57 1HZ LYS 57 -16.569 11.601 8.170 494 HZ3 LYS 57 2HZ LYS 57 -15.833 12.652 7.063 495 H ALA 58 H ALA 58 -12.043 14.507 2.406 496 HA ALA 58 HA ALA 58 -11.686 15.509 5.054 497 HB1 ALA 58 1HB ALA 58 -9.852 14.512 3.756 498 HB2 ALA 58 2HB ALA 58 -9.463 16.139 4.318 499 HB3 ALA 58 3HB ALA 58 -9.921 15.874 2.635 500 H ARG 59 H ARG 59 -12.787 16.831 2.101 501 HA ARG 59 HA ARG 59 -13.709 18.826 1.550 502 HB2 ARG 59 2HB ARG 59 -13.201 19.712 4.392 503 HB3 ARG 59 1HB ARG 59 -14.321 20.431 3.243 504 HG2 ARG 59 2HG ARG 59 -15.723 18.483 3.313 505 HG3 ARG 59 1HG ARG 59 -14.559 17.635 4.332 506 HD2 ARG 59 2HD ARG 59 -14.870 19.544 5.985 507 HD3 ARG 59 1HD ARG 59 -16.270 20.007 5.018 508 HE ARG 59 HE ARG 59 -16.793 17.430 5.492 509 HH11 ARG 59 1HH1 ARG 59 -15.780 20.024 7.617 510 HH12 ARG 59 2HH1 ARG 59 -16.539 19.339 9.021 511 HH21 ARG 59 1HH2 ARG 59 -17.786 16.525 7.335 512 HH22 ARG 59 2HH2 ARG 59 -17.676 17.338 8.870 513 H ASN 60 H ASN 60 -11.241 19.766 3.943 514 HA ASN 60 HA ASN 60 -10.419 22.029 2.443 515 HB2 ASN 60 2HB ASN 60 -10.203 21.904 4.892 516 HB3 ASN 60 1HB ASN 60 -9.023 20.608 4.725 517 HD21 ASN 60 1HD2 ASN 60 -7.506 21.849 5.871 518 HD22 ASN 60 2HD2 ASN 60 -6.678 23.185 5.129 519 HA PRO 61 HA PRO 61 -7.983 20.049 -0.708 520 HB2 PRO 61 2HB PRO 61 -6.403 22.328 -1.130 521 HB3 PRO 61 1HB PRO 61 -7.891 21.914 -1.979 522 HG2 PRO 61 2HG PRO 61 -7.469 23.748 0.328 523 HG3 PRO 61 1HG PRO 61 -8.598 23.890 -1.032 524 HD2 PRO 61 2HD PRO 61 -9.456 23.161 1.386 525 HD3 PRO 61 1HD PRO 61 -10.123 22.409 -0.080 526 H GLU 62 H GLU 62 -6.579 21.643 2.092 527 HA GLU 62 HA GLU 62 -3.879 20.971 1.626 528 HB2 GLU 62 2HB GLU 62 -4.849 22.579 3.351 529 HB3 GLU 62 1HB GLU 62 -5.169 21.165 4.331 530 HG2 GLU 62 2HG GLU 62 -2.752 20.610 4.237 531 HG3 GLU 62 1HG GLU 62 -2.486 22.145 3.409 532 H LYS 63 H LYS 63 -6.413 19.366 3.483 533 HA LYS 63 HA LYS 63 -4.825 17.060 4.090 534 HB2 LYS 63 2HB LYS 63 -7.829 17.437 4.150 535 HB3 LYS 63 1HB LYS 63 -6.976 16.051 4.808 536 HG2 LYS 63 2HG LYS 63 -5.853 17.514 6.421 537 HG3 LYS 63 1HG LYS 63 -6.732 18.897 5.767 538 HD2 LYS 63 2HD LYS 63 -8.853 17.842 6.390 539 HD3 LYS 63 1HD LYS 63 -7.973 16.456 7.040 540 HE2 LYS 63 2HE LYS 63 -6.883 17.924 8.669 541 HE3 LYS 63 1HE LYS 63 -7.771 19.301 8.022 542 HZ1 LYS 63 3HZ LYS 63 -8.928 16.921 9.373 543 HZ2 LYS 63 1HZ LYS 63 -9.844 18.150 8.639 544 HZ3 LYS 63 2HZ LYS 63 -8.869 18.509 9.975 545 H ARG 64 H ARG 64 -6.952 18.066 1.564 546 HA ARG 64 HA ARG 64 -7.519 15.603 0.349 547 HB2 ARG 64 2HB ARG 64 -8.371 18.119 0.008 548 HB3 ARG 64 1HB ARG 64 -7.217 18.055 -1.311 549 HG2 ARG 64 2HG ARG 64 -8.395 16.264 -2.356 550 HG3 ARG 64 1HG ARG 64 -9.443 16.068 -0.947 551 HD2 ARG 64 2HD ARG 64 -10.195 18.447 -1.324 552 HD3 ARG 64 1HD ARG 64 -9.345 18.387 -2.865 553 HE ARG 64 HE ARG 64 -10.869 16.485 -3.418 554 HH11 ARG 64 1HH1 ARG 64 -11.795 18.932 -1.086 555 HH12 ARG 64 2HH1 ARG 64 -13.498 18.731 -1.350 556 HH21 ARG 64 1HH2 ARG 64 -13.123 16.218 -3.773 557 HH22 ARG 64 2HH2 ARG 64 -14.261 17.159 -2.848 558 H GLN 65 H GLN 65 -4.893 17.954 -0.169 559 HA GLN 65 HA GLN 65 -3.672 16.588 -2.309 560 HB2 GLN 65 2HB GLN 65 -2.713 18.645 -0.340 561 HB3 GLN 65 1HB GLN 65 -1.687 18.012 -1.610 562 HG2 GLN 65 2HG GLN 65 -3.228 18.818 -3.299 563 HG3 GLN 65 1HG GLN 65 -4.312 19.405 -2.039 564 HE21 GLN 65 1HE2 GLN 65 -0.841 19.624 -1.807 565 HE22 GLN 65 2HE2 GLN 65 -0.745 21.348 -1.962 566 H VAL 66 H VAL 66 -3.236 16.406 1.192 567 HA VAL 66 HA VAL 66 -0.887 14.873 1.220 568 HB VAL 66 HB VAL 66 -3.168 14.834 3.210 569 HG11 VAL 66 1HG1 VAL 66 -1.725 12.861 3.414 570 HG12 VAL 66 2HG1 VAL 66 -1.554 13.939 4.800 571 HG13 VAL 66 3HG1 VAL 66 -0.312 13.909 3.546 572 HG21 VAL 66 3HG2 VAL 66 -1.764 16.392 4.491 573 HG22 VAL 66 1HG2 VAL 66 -2.230 17.054 2.925 574 HG23 VAL 66 2HG2 VAL 66 -0.601 16.419 3.164 575 H ILE 67 H ILE 67 -4.295 13.886 1.252 576 HA ILE 67 HA ILE 67 -3.785 11.099 1.138 577 HB ILE 67 HB ILE 67 -6.246 12.625 0.255 578 HG12 ILE 67 2HG1 ILE 67 -5.636 11.270 2.891 579 HG13 ILE 67 1HG1 ILE 67 -5.573 13.008 2.620 580 HG21 ILE 67 1HG2 ILE 67 -7.435 10.540 0.505 581 HG22 ILE 67 2HG2 ILE 67 -5.961 9.728 1.024 582 HG23 ILE 67 3HG2 ILE 67 -6.102 10.320 -0.631 583 HD11 ILE 67 3HD1 ILE 67 -7.633 12.348 3.728 584 HD12 ILE 67 1HD1 ILE 67 -8.024 11.273 2.387 585 HD13 ILE 67 2HD1 ILE 67 -7.964 13.016 2.130 586 H ASP 68 H ASP 68 -4.314 13.584 -1.293 587 HA ASP 68 HA ASP 68 -4.598 12.022 -3.588 588 HB2 ASP 68 2HB ASP 68 -4.975 14.469 -3.457 589 HB3 ASP 68 1HB ASP 68 -3.240 14.717 -3.329 590 H LYS 69 H LYS 69 -1.640 13.312 -2.082 591 HA LYS 69 HA LYS 69 0.162 12.348 -4.004 592 HB2 LYS 69 2HB LYS 69 0.605 12.797 -1.050 593 HB3 LYS 69 1HB LYS 69 1.887 12.466 -2.205 594 HG2 LYS 69 2HG LYS 69 0.113 14.881 -2.046 595 HG3 LYS 69 1HG LYS 69 1.867 14.796 -1.872 596 HD2 LYS 69 2HD LYS 69 0.299 14.272 -4.399 597 HD3 LYS 69 1HD LYS 69 1.245 15.715 -4.042 598 HE2 LYS 69 2HE LYS 69 3.283 14.424 -4.012 599 HE3 LYS 69 1HE LYS 69 2.375 12.926 -4.219 600 HZ1 LYS 69 3HZ LYS 69 2.595 15.149 -6.179 601 HZ2 LYS 69 1HZ LYS 69 1.601 13.789 -6.375 602 HZ3 LYS 69 2HZ LYS 69 3.287 13.608 -6.321 603 H ILE 70 H ILE 70 -1.039 10.818 -1.040 604 HA ILE 70 HA ILE 70 0.461 8.439 -1.286 605 HB ILE 70 HB ILE 70 -2.236 8.824 0.037 606 HG12 ILE 70 2HG1 ILE 70 0.560 8.975 1.188 607 HG13 ILE 70 1HG1 ILE 70 -0.514 10.343 0.923 608 HG21 ILE 70 1HG2 ILE 70 -0.166 6.652 0.366 609 HG22 ILE 70 2HG2 ILE 70 -1.768 6.478 -0.350 610 HG23 ILE 70 3HG2 ILE 70 -1.606 6.845 1.366 611 HD11 ILE 70 3HD1 ILE 70 -0.488 9.692 3.258 612 HD12 ILE 70 1HD1 ILE 70 -0.994 8.059 2.823 613 HD13 ILE 70 2HD1 ILE 70 -2.082 9.418 2.554 614 H LEU 71 H LEU 71 -2.687 9.436 -2.482 615 HA LEU 71 HA LEU 71 -3.652 7.031 -3.462 616 HB2 LEU 71 2HB LEU 71 -4.069 9.910 -4.089 617 HB3 LEU 71 1HB LEU 71 -4.751 8.725 -5.172 618 HG LEU 71 HG LEU 71 -5.321 8.886 -2.216 619 HD11 LEU 71 1HD1 LEU 71 -6.246 10.794 -3.418 620 HD12 LEU 71 2HD1 LEU 71 -7.524 9.700 -2.889 621 HD13 LEU 71 3HD1 LEU 71 -7.010 9.704 -4.575 622 HD21 LEU 71 3HD2 LEU 71 -7.094 7.277 -2.706 623 HD22 LEU 71 1HD2 LEU 71 -5.503 6.621 -3.104 624 HD23 LEU 71 2HD2 LEU 71 -6.565 7.203 -4.387 625 H GLU 72 H GLU 72 -1.752 9.517 -5.147 626 HA GLU 72 HA GLU 72 -1.683 8.349 -7.686 627 HB2 GLU 72 2HB GLU 72 -0.921 10.650 -7.137 628 HB3 GLU 72 1HB GLU 72 0.483 9.978 -6.334 629 HG2 GLU 72 2HG GLU 72 0.899 8.831 -8.637 630 HG3 GLU 72 1HG GLU 72 -0.141 10.122 -9.237 631 H ASP 73 H ASP 73 0.523 7.979 -4.959 632 HA ASP 73 HA ASP 73 2.324 6.316 -6.375 633 HB2 ASP 73 2HB ASP 73 2.000 6.962 -3.464 634 HB3 ASP 73 1HB ASP 73 3.146 5.733 -4.000 635 H GLU 74 H GLU 74 -0.457 5.589 -4.301 636 HA GLU 74 HA GLU 74 0.047 2.795 -4.260 637 HB2 GLU 74 2HB GLU 74 -2.634 4.159 -3.986 638 HB3 GLU 74 1HB GLU 74 -2.232 2.531 -3.469 639 HG2 GLU 74 2HG GLU 74 -1.112 5.083 -2.325 640 HG3 GLU 74 1HG GLU 74 -2.347 4.071 -1.592 641 H GLU 75 H GLU 75 -1.867 4.878 -6.420 642 HA GLU 75 HA GLU 75 -2.813 2.957 -8.222 643 HB2 GLU 75 2HB GLU 75 -2.017 5.829 -8.417 644 HB3 GLU 75 1HB GLU 75 -2.288 4.970 -9.906 645 HG2 GLU 75 2HG GLU 75 -4.498 5.188 -9.705 646 HG3 GLU 75 1HG GLU 75 -4.473 4.564 -8.052 647 H LYS 76 H LYS 76 0.275 4.532 -7.918 648 HA LYS 76 HA LYS 76 1.500 3.603 -10.302 649 HB2 LYS 76 2HB LYS 76 2.058 5.601 -8.816 650 HB3 LYS 76 1HB LYS 76 2.844 4.459 -7.743 651 HG2 LYS 76 2HG LYS 76 4.419 3.873 -9.505 652 HG3 LYS 76 1HG LYS 76 3.611 4.998 -10.605 653 HD2 LYS 76 2HD LYS 76 5.035 5.676 -8.030 654 HD3 LYS 76 1HD LYS 76 5.539 6.101 -9.666 655 HE2 LYS 76 2HE LYS 76 3.770 7.628 -9.934 656 HE3 LYS 76 1HE LYS 76 2.896 6.988 -8.546 657 HZ1 LYS 76 3HZ LYS 76 5.466 8.475 -8.410 658 HZ2 LYS 76 1HZ LYS 76 4.571 7.899 -7.087 659 HZ3 LYS 76 2HZ LYS 76 3.936 9.126 -8.076 660 H HIS 77 H HIS 77 1.487 2.465 -6.952 661 HA HIS 77 HA HIS 77 3.449 0.472 -7.192 662 HB2 HIS 77 2HB HIS 77 1.062 0.634 -5.342 663 HB3 HIS 77 1HB HIS 77 2.359 -0.542 -5.177 664 HD2 HIS 77 2HD HIS 77 4.518 2.112 -5.965 665 HE1 HIS 77 1HE HIS 77 3.487 3.013 -1.970 666 HE2 HIS 77 2HE HIS 77 5.051 3.558 -3.874 667 H ILE 78 H ILE 78 -0.031 0.397 -7.724 668 HA ILE 78 HA ILE 78 -0.267 -2.365 -8.231 669 HB ILE 78 HB ILE 78 -1.942 -0.104 -9.353 670 HG12 ILE 78 2HG1 ILE 78 -2.371 -1.809 -6.890 671 HG13 ILE 78 1HG1 ILE 78 -1.813 -0.140 -6.874 672 HG21 ILE 78 1HG2 ILE 78 -3.691 -1.801 -9.621 673 HG22 ILE 78 2HG2 ILE 78 -2.566 -3.045 -9.074 674 HG23 ILE 78 3HG2 ILE 78 -2.265 -2.186 -10.586 675 HD11 ILE 78 3HD1 ILE 78 -4.188 -0.324 -6.339 676 HD12 ILE 78 1HD1 ILE 78 -4.480 -1.082 -7.903 677 HD13 ILE 78 2HD1 ILE 78 -3.924 0.590 -7.826 678 H GLU 79 H GLU 79 0.446 0.391 -10.324 679 HA GLU 79 HA GLU 79 0.416 -0.922 -12.783 680 HB2 GLU 79 2HB GLU 79 2.058 1.436 -11.856 681 HB3 GLU 79 1HB GLU 79 1.902 0.935 -13.524 682 HG2 GLU 79 2HG GLU 79 -0.576 1.244 -13.280 683 HG3 GLU 79 1HG GLU 79 -0.239 1.999 -11.722 684 H TRP 80 H TRP 80 3.008 -0.527 -10.407 685 HA TRP 80 HA TRP 80 5.073 -1.715 -11.913 686 HB2 TRP 80 2HB TRP 80 4.699 -1.641 -8.914 687 HB3 TRP 80 1HB TRP 80 6.185 -2.097 -9.734 688 HD1 TRP 80 HD TRP 80 5.526 0.517 -11.883 689 HE1 TRP 80 1HE TRP 80 6.384 2.807 -11.070 690 HE3 TRP 80 3HE TRP 80 6.111 -0.574 -6.930 691 HZ2 TRP 80 2HZ TRP 80 7.204 3.984 -8.632 692 HZ3 TRP 80 3HZ TRP 80 6.939 1.182 -5.415 693 HH2 TRP 80 HH TRP 80 7.478 3.416 -6.255 694 H HIS 81 H HIS 81 2.745 -3.094 -9.628 695 HA HIS 81 HA HIS 81 3.905 -5.675 -9.621 696 HB2 HIS 81 2HB HIS 81 1.390 -4.492 -8.561 697 HB3 HIS 81 1HB HIS 81 1.479 -6.247 -8.712 698 HD1 HIS 81 1HD HIS 81 3.291 -3.380 -6.985 699 HD2 HIS 81 2HD HIS 81 2.904 -7.513 -6.794 700 HE1 HIS 81 1HE HIS 81 4.587 -4.132 -4.936 701 H LYS 82 H LYS 82 1.489 -4.170 -11.663 702 HA LYS 82 HA LYS 82 0.463 -6.479 -12.874 703 HB2 LYS 82 2HB LYS 82 0.938 -3.730 -14.028 704 HB3 LYS 82 1HB LYS 82 0.060 -4.999 -14.869 705 HG2 LYS 82 2HG LYS 82 -1.531 -5.048 -12.931 706 HG3 LYS 82 1HG LYS 82 -0.715 -3.604 -12.320 707 HD2 LYS 82 2HD LYS 82 -1.261 -2.410 -14.376 708 HD3 LYS 82 1HD LYS 82 -2.033 -3.858 -15.025 709 HE2 LYS 82 2HE LYS 82 -3.593 -3.779 -13.058 710 HE3 LYS 82 1HE LYS 82 -2.906 -2.205 -12.664 711 HZ1 LYS 82 3HZ LYS 82 -4.264 -2.905 -15.214 712 HZ2 LYS 82 1HZ LYS 82 -3.620 -1.388 -14.822 713 HZ3 LYS 82 2HZ LYS 82 -4.946 -2.003 -13.953 714 H ALA 83 H ALA 83 3.354 -4.575 -13.593 715 HA ALA 83 HA ALA 83 4.127 -6.073 -15.882 716 HB1 ALA 83 1HB ALA 83 5.810 -4.359 -14.056 717 HB2 ALA 83 2HB ALA 83 4.937 -3.802 -15.486 718 HB3 ALA 83 3HB ALA 83 6.278 -4.937 -15.655 719 H ALA 84 H ALA 84 4.776 -6.341 -12.447 720 HA ALA 84 HA ALA 84 6.818 -8.308 -12.644 721 HB1 ALA 84 1HB ALA 84 6.536 -6.895 -10.663 722 HB2 ALA 84 2HB ALA 84 6.508 -8.610 -10.254 723 HB3 ALA 84 3HB ALA 84 5.002 -7.692 -10.316 724 H SER 85 H SER 85 3.331 -8.427 -12.525 725 HA SER 85 HA SER 85 3.123 -11.212 -11.964 726 HB2 SER 85 2HB SER 85 1.126 -9.357 -13.279 727 HB3 SER 85 1HB SER 85 0.771 -10.958 -12.627 728 HG SER 85 HG SER 85 1.912 -8.926 -11.017 729 H LYS 86 H LYS 86 3.655 -9.343 -14.822 730 HA LYS 86 HA LYS 86 2.854 -11.480 -16.603 731 HB2 LYS 86 2HB LYS 86 2.512 -8.964 -16.995 732 HB3 LYS 86 1HB LYS 86 4.221 -8.914 -17.393 733 HG2 LYS 86 2HG LYS 86 2.493 -10.886 -18.796 734 HG3 LYS 86 1HG LYS 86 2.381 -9.184 -19.245 735 HD2 LYS 86 2HD LYS 86 4.913 -10.834 -19.225 736 HD3 LYS 86 1HD LYS 86 3.975 -10.409 -20.659 737 HE2 LYS 86 2HE LYS 86 5.385 -8.497 -18.799 738 HE3 LYS 86 1HE LYS 86 5.877 -8.920 -20.439 739 HZ1 LYS 86 3HZ LYS 86 3.728 -7.971 -21.208 740 HZ2 LYS 86 1HZ LYS 86 4.764 -6.832 -20.498 741 HZ3 LYS 86 2HZ LYS 86 3.439 -7.425 -19.629 742 H GLN 87 H GLN 87 4.422 -12.936 -15.609 743 HA GLN 87 HA GLN 87 6.277 -14.224 -15.723 744 HB2 GLN 87 2HB GLN 87 6.573 -12.884 -18.414 745 HB3 GLN 87 1HB GLN 87 7.420 -14.338 -17.907 746 HG2 GLN 87 2HG GLN 87 5.286 -15.507 -17.684 747 HG3 GLN 87 1HG GLN 87 4.434 -14.050 -18.190 748 HE21 GLN 87 1HE2 GLN 87 3.526 -15.037 -19.983 749 HE22 GLN 87 2HE2 GLN 87 4.451 -15.466 -21.375 750 H GLY 88 H GLY 88 7.535 -13.449 -14.075 751 HA2 GLY 88 2HA GLY 88 9.784 -11.764 -14.919 752 HA3 GLY 88 1HA GLY 88 8.863 -11.300 -13.495 753 H ASN 89 H ASN 89 11.068 -11.480 -12.542 754 HA ASN 89 HA ASN 89 11.717 -14.265 -11.831 755 HB2 ASN 89 2HB ASN 89 13.487 -11.807 -11.809 756 HB3 ASN 89 1HB ASN 89 13.976 -13.394 -11.226 757 HD21 ASN 89 1HD2 ASN 89 15.166 -11.821 -13.329 758 HD22 ASN 89 2HD2 ASN 89 15.060 -12.768 -14.773 759 H ALA 90 H ALA 90 12.096 -14.775 -9.656 760 HA ALA 90 HA ALA 90 10.417 -13.503 -7.799 761 HB1 ALA 90 1HB ALA 90 11.056 -15.865 -7.645 762 HB2 ALA 90 2HB ALA 90 11.395 -14.999 -6.145 763 HB3 ALA 90 3HB ALA 90 12.708 -15.386 -7.255 764 H GLU 91 H GLU 91 13.908 -13.295 -8.321 765 HA GLU 91 HA GLU 91 14.555 -11.727 -6.081 766 HB2 GLU 91 2HB GLU 91 15.937 -12.862 -8.164 767 HB3 GLU 91 1HB GLU 91 16.079 -11.150 -8.530 768 HG2 GLU 91 2HG GLU 91 16.789 -12.314 -5.854 769 HG3 GLU 91 1HG GLU 91 17.941 -12.164 -7.177 770 H GLN 92 H GLN 92 13.506 -10.847 -9.330 771 HA GLN 92 HA GLN 92 13.733 -8.040 -8.969 772 HB2 GLN 92 2HB GLN 92 12.064 -9.661 -10.899 773 HB3 GLN 92 1HB GLN 92 12.228 -7.912 -10.967 774 HG2 GLN 92 2HG GLN 92 14.444 -9.927 -11.282 775 HG3 GLN 92 1HG GLN 92 13.705 -8.966 -12.564 776 HE21 GLN 92 1HE2 GLN 92 14.177 -6.755 -12.695 777 HE22 GLN 92 2HE2 GLN 92 15.521 -6.057 -11.856 778 H PHE 93 H PHE 93 11.127 -10.362 -8.496 779 HA PHE 93 HA PHE 93 9.083 -8.500 -7.940 780 HB2 PHE 93 2HB PHE 93 8.654 -10.862 -8.488 781 HB3 PHE 93 1HB PHE 93 9.383 -11.350 -6.963 782 HD1 PHE 93 2HD PHE 93 6.677 -9.126 -8.254 783 HD2 PHE 93 1HD PHE 93 7.992 -11.751 -5.170 784 HE1 PHE 93 2HE PHE 93 4.488 -8.924 -7.150 785 HE2 PHE 93 1HE PHE 93 5.804 -11.554 -4.069 786 HZ PHE 93 HZ PHE 93 4.050 -10.138 -5.055 787 H ALA 94 H ALA 94 11.324 -10.273 -5.837 788 HA ALA 94 HA ALA 94 10.427 -9.251 -3.384 789 HB1 ALA 94 1HB ALA 94 13.212 -10.144 -4.137 790 HB2 ALA 94 2HB ALA 94 11.918 -11.183 -3.539 791 HB3 ALA 94 3HB ALA 94 12.601 -9.938 -2.494 792 H SER 95 H SER 95 12.801 -8.025 -5.703 793 HA SER 95 HA SER 95 13.726 -5.867 -4.167 794 HB2 SER 95 2HB SER 95 13.567 -6.219 -7.167 795 HB3 SER 95 1HB SER 95 14.506 -4.985 -6.342 796 HG SER 95 HG SER 95 14.863 -7.795 -6.253 797 H LEU 96 H LEU 96 11.003 -6.204 -6.396 798 HA LEU 96 HA LEU 96 10.215 -3.483 -6.381 799 HB2 LEU 96 2HB LEU 96 9.436 -5.094 -8.062 800 HB3 LEU 96 1HB LEU 96 8.573 -5.983 -6.822 801 HG LEU 96 HG LEU 96 7.095 -4.045 -6.459 802 HD11 LEU 96 1HD1 LEU 96 8.607 -2.838 -8.773 803 HD12 LEU 96 2HD1 LEU 96 8.647 -2.280 -7.100 804 HD13 LEU 96 3HD1 LEU 96 7.152 -2.173 -8.029 805 HD21 LEU 96 3HD2 LEU 96 7.274 -4.944 -9.334 806 HD22 LEU 96 1HD2 LEU 96 5.868 -4.209 -8.565 807 HD23 LEU 96 2HD2 LEU 96 6.440 -5.791 -8.032 808 H VAL 97 H VAL 97 9.175 -6.295 -4.508 809 HA VAL 97 HA VAL 97 7.226 -5.020 -2.951 810 HB VAL 97 HB VAL 97 8.909 -7.462 -2.379 811 HG11 VAL 97 1HG1 VAL 97 7.274 -8.018 -0.641 812 HG12 VAL 97 2HG1 VAL 97 6.488 -6.460 -0.886 813 HG13 VAL 97 3HG1 VAL 97 8.136 -6.527 -0.265 814 HG21 VAL 97 3HG2 VAL 97 6.797 -8.635 -2.946 815 HG22 VAL 97 1HG2 VAL 97 7.456 -7.698 -4.288 816 HG23 VAL 97 2HG2 VAL 97 6.085 -7.074 -3.369 817 H GLN 98 H GLN 98 10.705 -5.434 -2.414 818 HA GLN 98 HA GLN 98 10.828 -4.347 0.169 819 HB2 GLN 98 2HB GLN 98 12.731 -5.478 -0.950 820 HB3 GLN 98 1HB GLN 98 12.902 -4.096 -2.026 821 HG2 GLN 98 2HG GLN 98 13.289 -2.676 0.000 822 HG3 GLN 98 1HG GLN 98 13.327 -4.160 0.952 823 HE21 GLN 98 1HE2 GLN 98 14.599 -3.933 -2.292 824 HE22 GLN 98 2HE2 GLN 98 16.268 -4.086 -1.857 825 H GLN 99 H GLN 99 10.998 -2.768 -2.999 826 HA GLN 99 HA GLN 99 11.411 -0.151 -1.999 827 HB2 GLN 99 2HB GLN 99 11.890 -0.896 -4.329 828 HB3 GLN 99 1HB GLN 99 10.158 -0.978 -4.620 829 HG2 GLN 99 2HG GLN 99 9.962 1.414 -4.209 830 HG3 GLN 99 1HG GLN 99 11.697 1.505 -3.889 831 HE21 GLN 99 1HE2 GLN 99 9.244 1.156 -6.307 832 HE22 GLN 99 2HE2 GLN 99 10.272 1.353 -7.687 833 H HIS 100 H HIS 100 8.532 -1.976 -2.916 834 HA HIS 100 HA HIS 100 6.623 0.046 -2.569 835 HB2 HIS 100 2HB HIS 100 6.236 -2.197 -3.638 836 HB3 HIS 100 1HB HIS 100 6.268 -2.920 -2.036 837 HD1 HIS 100 1HD HIS 100 3.749 -3.661 -2.955 838 HD2 HIS 100 2HD HIS 100 4.335 0.298 -1.851 839 HE1 HIS 100 1HE HIS 100 1.448 -2.677 -2.607 840 H LEU 101 H LEU 101 8.061 -2.257 -0.308 841 HA LEU 101 HA LEU 101 6.510 -1.735 1.950 842 HB2 LEU 101 2HB LEU 101 8.073 -3.609 1.771 843 HB3 LEU 101 1HB LEU 101 9.426 -2.498 1.786 844 HG LEU 101 HG LEU 101 8.807 -1.818 4.092 845 HD11 LEU 101 1HD1 LEU 101 6.424 -2.339 3.996 846 HD12 LEU 101 2HD1 LEU 101 7.203 -3.168 5.344 847 HD13 LEU 101 3HD1 LEU 101 6.799 -4.059 3.875 848 HD21 LEU 101 3HD2 LEU 101 10.498 -3.525 3.729 849 HD22 LEU 101 1HD2 LEU 101 9.250 -4.770 3.677 850 HD23 LEU 101 2HD2 LEU 101 9.551 -3.888 5.172 851 H GLN 102 H GLN 102 9.538 -0.212 0.888 852 HA GLN 102 HA GLN 102 9.895 1.487 3.050 853 HB2 GLN 102 2HB GLN 102 10.719 1.707 0.158 854 HB3 GLN 102 1HB GLN 102 11.316 2.728 1.436 855 HG2 GLN 102 2HG GLN 102 11.615 -0.252 1.441 856 HG3 GLN 102 1HG GLN 102 12.823 0.851 0.789 857 HE21 GLN 102 1HE2 GLN 102 14.353 0.118 2.270 858 HE22 GLN 102 2HE2 GLN 102 14.308 0.589 3.933 859 H ASP 103 H ASP 103 8.074 1.886 0.046 860 HA ASP 103 HA ASP 103 7.492 4.636 0.324 861 HB2 ASP 103 2HB ASP 103 7.036 2.848 -1.648 862 HB3 ASP 103 1HB ASP 103 5.439 2.885 -0.923 863 H GLU 104 H GLU 104 5.636 1.732 1.202 864 HA GLU 104 HA GLU 104 3.416 3.108 2.271 865 HB2 GLU 104 2HB GLU 104 4.391 0.335 2.960 866 HB3 GLU 104 1HB GLU 104 2.783 0.974 3.268 867 HG2 GLU 104 2HG GLU 104 4.038 0.442 0.588 868 HG3 GLU 104 1HG GLU 104 2.738 -0.471 1.351 869 H GLN 105 H GLN 105 6.397 1.915 3.739 870 HA GLN 105 HA GLN 105 5.710 2.343 6.424 871 HB2 GLN 105 2HB GLN 105 7.688 1.079 5.808 872 HB3 GLN 105 1HB GLN 105 8.411 2.498 5.066 873 HG2 GLN 105 2HG GLN 105 8.612 3.573 7.212 874 HG3 GLN 105 1HG GLN 105 7.755 2.246 7.992 875 HE21 GLN 105 1HE2 GLN 105 10.455 3.348 8.424 876 HE22 GLN 105 2HE2 GLN 105 11.536 2.005 8.255 877 H ARG 106 H ARG 106 7.196 4.487 4.036 878 HA ARG 106 HA ARG 106 7.483 6.711 5.779 879 HB2 ARG 106 2HB ARG 106 8.737 6.331 3.639 880 HB3 ARG 106 1HB ARG 106 7.266 6.699 2.759 881 HG2 ARG 106 2HG ARG 106 8.348 8.698 4.687 882 HG3 ARG 106 1HG ARG 106 9.102 8.513 3.103 883 HD2 ARG 106 2HD ARG 106 6.778 8.778 2.126 884 HD3 ARG 106 1HD ARG 106 6.264 9.284 3.734 885 HE ARG 106 HE ARG 106 8.273 10.965 3.328 886 HH11 ARG 106 1HH1 ARG 106 5.792 9.905 1.108 887 HH12 ARG 106 2HH1 ARG 106 5.704 11.417 0.257 888 HH21 ARG 106 1HH2 ARG 106 8.172 12.986 2.201 889 HH22 ARG 106 2HH2 ARG 106 7.064 13.166 0.871 890 H HIS 107 H HIS 107 4.877 5.579 3.679 891 HA HIS 107 HA HIS 107 3.198 7.814 3.769 892 HB2 HIS 107 2HB HIS 107 2.512 4.867 3.680 893 HB3 HIS 107 1HB HIS 107 1.301 6.137 3.555 894 HD2 HIS 107 2HD HIS 107 3.679 7.780 1.514 895 HE1 HIS 107 1HE HIS 107 2.244 4.763 -1.077 896 HE2 HIS 107 2HE HIS 107 3.735 6.799 -0.879 897 H VAL 108 H VAL 108 3.311 5.008 5.949 898 HA VAL 108 HA VAL 108 1.367 5.951 7.763 899 HB VAL 108 HB VAL 108 3.638 4.005 8.225 900 HG11 VAL 108 1HG1 VAL 108 2.371 3.190 10.129 901 HG12 VAL 108 2HG1 VAL 108 1.121 4.403 9.846 902 HG13 VAL 108 3HG1 VAL 108 2.741 4.903 10.337 903 HG21 VAL 108 3HG2 VAL 108 0.747 3.544 7.493 904 HG22 VAL 108 1HG2 VAL 108 1.930 2.287 7.858 905 HG23 VAL 108 2HG2 VAL 108 2.143 3.313 6.439 906 H GLU 109 H GLU 109 4.872 6.278 7.638 907 HA GLU 109 HA GLU 109 5.349 7.435 10.115 908 HB2 GLU 109 2HB GLU 109 6.700 7.678 7.442 909 HB3 GLU 109 1HB GLU 109 7.312 8.525 8.845 910 HG2 GLU 109 2HG GLU 109 6.858 5.564 8.811 911 HG3 GLU 109 1HG GLU 109 8.379 6.302 8.313 912 H GLU 110 H GLU 110 4.210 8.893 7.124 913 HA GLU 110 HA GLU 110 4.395 11.593 8.012 914 HB2 GLU 110 2HB GLU 110 4.272 10.827 5.617 915 HB3 GLU 110 1HB GLU 110 2.573 10.465 5.880 916 HG2 GLU 110 2HG GLU 110 2.800 12.586 4.780 917 HG3 GLU 110 1HG GLU 110 2.168 12.827 6.407 918 H ILE 111 H ILE 111 1.823 9.172 8.012 919 HA ILE 111 HA ILE 111 -0.270 10.831 8.914 920 HB ILE 111 HB ILE 111 0.060 7.855 9.358 921 HG12 ILE 111 2HG1 ILE 111 -1.313 9.347 7.104 922 HG13 ILE 111 1HG1 ILE 111 0.220 8.495 6.976 923 HG21 ILE 111 1HG2 ILE 111 -2.396 7.838 9.522 924 HG22 ILE 111 2HG2 ILE 111 -2.406 9.597 9.400 925 HG23 ILE 111 3HG2 ILE 111 -1.654 8.815 10.791 926 HD11 ILE 111 3HD1 ILE 111 -0.902 6.393 7.452 927 HD12 ILE 111 1HD1 ILE 111 -1.602 7.193 6.047 928 HD13 ILE 111 2HD1 ILE 111 -2.440 7.241 7.599 929 H GLU 112 H GLU 112 2.185 8.993 10.582 930 HA GLU 112 HA GLU 112 1.238 9.029 13.181 931 HB2 GLU 112 2HB GLU 112 3.809 8.648 11.823 932 HB3 GLU 112 1HB GLU 112 3.940 9.171 13.493 933 HG2 GLU 112 2HG GLU 112 2.308 6.810 12.600 934 HG3 GLU 112 1HG GLU 112 3.979 6.704 13.156 935 H LYS 113 H LYS 113 2.482 11.651 11.329 936 HA LYS 113 HA LYS 113 3.600 13.122 13.516 937 HB2 LYS 113 2HB LYS 113 2.904 14.050 10.729 938 HB3 LYS 113 1HB LYS 113 3.963 14.877 11.863 939 HG2 LYS 113 2HG LYS 113 4.482 12.147 10.693 940 HG3 LYS 113 1HG LYS 113 5.194 13.659 10.119 941 HD2 LYS 113 2HD LYS 113 5.488 12.605 12.930 942 HD3 LYS 113 1HD LYS 113 6.663 12.335 11.644 943 HE2 LYS 113 2HE LYS 113 5.785 15.032 12.668 944 HE3 LYS 113 1HE LYS 113 7.285 14.215 13.104 945 HZ1 LYS 113 3HZ LYS 113 7.646 15.848 11.369 946 HZ2 LYS 113 1HZ LYS 113 6.518 15.081 10.365 947 HZ3 LYS 113 2HZ LYS 113 7.957 14.290 10.782 948 H LYS 114 H LYS 114 0.535 12.438 13.264 949 HA LYS 114 HA LYS 114 -0.565 15.127 13.458 950 HB2 LYS 114 2HB LYS 114 -1.856 12.404 13.565 951 HB3 LYS 114 1HB LYS 114 -2.743 13.900 13.813 952 HG2 LYS 114 2HG LYS 114 -2.013 14.623 11.543 953 HG3 LYS 114 1HG LYS 114 -1.318 13.018 11.317 954 HD2 LYS 114 2HD LYS 114 -3.449 12.920 10.314 955 HD3 LYS 114 1HD LYS 114 -3.618 12.099 11.864 956 HE2 LYS 114 2HE LYS 114 -4.354 14.989 11.421 957 HE3 LYS 114 1HE LYS 114 -5.498 13.661 11.259 958 HZ1 LYS 114 3HZ LYS 114 -4.037 14.439 13.722 959 HZ2 LYS 114 1HZ LYS 114 -5.035 13.077 13.589 960 HZ3 LYS 114 2HZ LYS 114 -5.691 14.627 13.427 961 H ASN 115 H ASN 115 -1.212 16.101 15.282 962 HA ASN 115 HA ASN 115 -0.707 14.736 17.819 963 HB2 ASN 115 2HB ASN 115 -1.181 17.638 17.128 964 HB3 ASN 115 1HB ASN 115 -1.174 17.052 18.789 965 HD21 ASN 115 1HD2 ASN 115 0.738 17.646 15.949 966 HD22 ASN 115 2HD2 ASN 115 2.287 17.525 16.724 Start of MODEL 10 1 H1 MET 1 H1 MET 1 -14.911 9.140 3.861 2 H2 MET 1 H2 MET 1 -16.423 8.381 3.717 3 H3 MET 1 H3 MET 1 -14.999 7.464 3.654 4 HA MET 1 HA MET 1 -15.877 9.016 6.015 5 HB2 MET 1 2HB MET 1 -17.383 7.111 5.591 6 HB3 MET 1 1HB MET 1 -16.000 6.030 5.507 7 HG2 MET 1 2HG MET 1 -17.131 5.865 7.653 8 HG3 MET 1 1HG MET 1 -15.488 6.475 7.841 9 HE1 MET 1 2HE MET 1 -16.046 7.277 10.292 10 HE2 MET 1 3HE MET 1 -17.697 6.680 10.127 11 HE3 MET 1 1HE MET 1 -17.408 8.320 10.700 12 H ASP 2 H ASP 2 -14.020 9.718 6.895 13 HA ASP 2 HA ASP 2 -11.734 7.860 6.862 14 HB2 ASP 2 2HB ASP 2 -10.225 9.788 6.621 15 HB3 ASP 2 1HB ASP 2 -11.335 9.643 5.266 16 H GLU 3 H GLU 3 -11.406 7.139 8.801 17 HA GLU 3 HA GLU 3 -11.035 9.120 10.945 18 HB2 GLU 3 2HB GLU 3 -11.800 6.202 11.118 19 HB3 GLU 3 1HB GLU 3 -11.162 7.087 12.494 20 HG2 GLU 3 2HG GLU 3 -13.049 8.704 12.231 21 HG3 GLU 3 1HG GLU 3 -13.716 7.629 11.004 22 H LEU 4 H LEU 4 -9.063 9.027 12.059 23 HA LEU 4 HA LEU 4 -6.856 8.558 10.448 24 HB2 LEU 4 2HB LEU 4 -6.914 10.064 12.414 25 HB3 LEU 4 1HB LEU 4 -6.896 8.658 13.463 26 HG LEU 4 HG LEU 4 -4.668 8.045 12.559 27 HD11 LEU 4 1HD1 LEU 4 -4.833 10.709 11.155 28 HD12 LEU 4 2HD1 LEU 4 -4.883 9.129 10.371 29 HD13 LEU 4 3HD1 LEU 4 -3.425 9.648 11.217 30 HD21 LEU 4 3HD2 LEU 4 -4.826 10.851 13.663 31 HD22 LEU 4 1HD2 LEU 4 -3.424 9.783 13.720 32 HD23 LEU 4 2HD2 LEU 4 -4.883 9.371 14.620 33 H ARG 5 H ARG 5 -8.192 6.511 13.025 34 HA ARG 5 HA ARG 5 -6.190 4.526 12.877 35 HB2 ARG 5 2HB ARG 5 -8.845 4.826 14.129 36 HB3 ARG 5 1HB ARG 5 -8.327 3.175 13.838 37 HG2 ARG 5 2HG ARG 5 -6.726 5.233 15.340 38 HG3 ARG 5 1HG ARG 5 -7.743 3.999 16.089 39 HD2 ARG 5 2HD ARG 5 -6.392 2.246 15.131 40 HD3 ARG 5 1HD ARG 5 -5.436 3.426 14.236 41 HE ARG 5 HE ARG 5 -5.253 4.063 16.951 42 HH11 ARG 5 1HH1 ARG 5 -4.391 1.430 14.825 43 HH12 ARG 5 2HH1 ARG 5 -2.936 1.020 15.678 44 HH21 ARG 5 1HH2 ARG 5 -3.357 3.522 18.125 45 HH22 ARG 5 2HH2 ARG 5 -2.359 2.195 17.590 46 H GLU 6 H GLU 6 -9.391 4.759 11.352 47 HA GLU 6 HA GLU 6 -9.278 2.199 10.150 48 HB2 GLU 6 2HB GLU 6 -10.945 4.636 9.534 49 HB3 GLU 6 1HB GLU 6 -11.129 3.109 8.685 50 HG2 GLU 6 2HG GLU 6 -11.519 3.565 11.632 51 HG3 GLU 6 1HG GLU 6 -12.787 3.323 10.431 52 H LEU 7 H LEU 7 -8.326 5.408 9.085 53 HA LEU 7 HA LEU 7 -7.818 4.686 6.383 54 HB2 LEU 7 2HB LEU 7 -8.186 7.017 7.306 55 HB3 LEU 7 1HB LEU 7 -6.543 6.947 7.913 56 HG LEU 7 HG LEU 7 -5.737 6.636 5.578 57 HD11 LEU 7 1HD1 LEU 7 -8.604 7.231 4.850 58 HD12 LEU 7 2HD1 LEU 7 -7.802 5.670 4.666 59 HD13 LEU 7 3HD1 LEU 7 -7.250 7.060 3.729 60 HD21 LEU 7 3HD2 LEU 7 -7.405 9.103 6.065 61 HD22 LEU 7 1HD2 LEU 7 -6.095 8.953 4.895 62 HD23 LEU 7 2HD2 LEU 7 -5.753 8.843 6.621 63 H LEU 8 H LEU 8 -5.803 4.940 9.273 64 HA LEU 8 HA LEU 8 -3.323 4.446 8.036 65 HB2 LEU 8 2HB LEU 8 -3.847 5.323 10.391 66 HB3 LEU 8 1HB LEU 8 -4.026 3.645 10.846 67 HG LEU 8 HG LEU 8 -1.702 3.206 10.188 68 HD11 LEU 8 1HD1 LEU 8 -0.206 5.040 9.635 69 HD12 LEU 8 2HD1 LEU 8 -1.550 6.178 9.698 70 HD13 LEU 8 3HD1 LEU 8 -1.511 4.929 8.453 71 HD21 LEU 8 3HD2 LEU 8 -2.216 3.824 12.500 72 HD22 LEU 8 1HD2 LEU 8 -1.987 5.527 12.095 73 HD23 LEU 8 2HD2 LEU 8 -0.625 4.407 12.011 74 H LYS 9 H LYS 9 -5.854 2.386 9.191 75 HA LYS 9 HA LYS 9 -4.591 -0.083 9.330 76 HB2 LYS 9 2HB LYS 9 -7.395 0.713 8.613 77 HB3 LYS 9 1HB LYS 9 -6.902 -0.974 8.585 78 HG2 LYS 9 2HG LYS 9 -6.459 -0.981 10.906 79 HG3 LYS 9 1HG LYS 9 -6.569 0.779 11.003 80 HD2 LYS 9 2HD LYS 9 -8.579 -0.364 11.883 81 HD3 LYS 9 1HD LYS 9 -8.932 0.704 10.525 82 HE2 LYS 9 2HE LYS 9 -8.916 -1.260 9.026 83 HE3 LYS 9 1HE LYS 9 -8.651 -2.299 10.426 84 HZ1 LYS 9 3HZ LYS 9 -11.006 -0.514 10.063 85 HZ2 LYS 9 1HZ LYS 9 -10.760 -1.615 11.328 86 HZ3 LYS 9 2HZ LYS 9 -10.997 -2.180 9.745 87 H ALA 10 H ALA 10 -5.731 1.680 6.498 88 HA ALA 10 HA ALA 10 -5.538 -0.453 4.655 89 HB1 ALA 10 1HB ALA 10 -5.561 1.270 2.926 90 HB2 ALA 10 2HB ALA 10 -5.260 2.508 4.145 91 HB3 ALA 10 3HB ALA 10 -6.771 1.601 4.164 92 H GLU 11 H GLU 11 -3.235 2.084 5.593 93 HA GLU 11 HA GLU 11 -1.169 1.205 3.863 94 HB2 GLU 11 2HB GLU 11 -0.940 2.796 6.427 95 HB3 GLU 11 1HB GLU 11 0.312 2.635 5.204 96 HG2 GLU 11 2HG GLU 11 -2.346 4.022 4.923 97 HG3 GLU 11 1HG GLU 11 -0.748 4.765 4.971 98 H GLN 12 H GLN 12 -1.915 0.601 7.272 99 HA GLN 12 HA GLN 12 0.370 -0.925 7.868 100 HB2 GLN 12 2HB GLN 12 -2.389 -1.095 9.085 101 HB3 GLN 12 1HB GLN 12 -0.940 -1.826 9.758 102 HG2 GLN 12 2HG GLN 12 0.043 0.446 9.964 103 HG3 GLN 12 1HG GLN 12 -1.500 1.112 9.429 104 HE21 GLN 12 1HE2 GLN 12 -0.131 1.507 11.957 105 HE22 GLN 12 2HE2 GLN 12 -1.216 0.942 13.190 106 H GLN 13 H GLN 13 -2.776 -1.832 6.549 107 HA GLN 13 HA GLN 13 -2.486 -4.614 6.741 108 HB2 GLN 13 2HB GLN 13 -4.606 -3.399 6.194 109 HB3 GLN 13 1HB GLN 13 -3.963 -3.091 4.589 110 HG2 GLN 13 2HG GLN 13 -5.482 -4.947 4.504 111 HG3 GLN 13 1HG GLN 13 -3.842 -5.514 4.190 112 HE21 GLN 13 1HE2 GLN 13 -4.371 -7.619 4.771 113 HE22 GLN 13 2HE2 GLN 13 -4.633 -8.081 6.414 114 H GLY 14 H GLY 14 -1.637 -2.363 4.168 115 HA2 GLY 14 2HA GLY 14 -0.642 -4.300 2.356 116 HA3 GLY 14 1HA GLY 14 -0.277 -2.584 2.322 117 H ILE 15 H ILE 15 1.005 -2.197 4.713 118 HA ILE 15 HA ILE 15 3.617 -3.070 4.215 119 HB ILE 15 HB ILE 15 2.406 -2.080 6.804 120 HG12 ILE 15 2HG1 ILE 15 4.049 -0.660 4.695 121 HG13 ILE 15 1HG1 ILE 15 2.310 -0.494 4.913 122 HG21 ILE 15 1HG2 ILE 15 4.696 -1.632 7.537 123 HG22 ILE 15 2HG2 ILE 15 5.317 -2.368 6.061 124 HG23 ILE 15 3HG2 ILE 15 4.447 -3.352 7.237 125 HD11 ILE 15 3HD1 ILE 15 2.676 0.462 7.124 126 HD12 ILE 15 1HD1 ILE 15 3.512 1.383 5.874 127 HD13 ILE 15 2HD1 ILE 15 4.418 0.285 6.913 128 H LYS 16 H LYS 16 1.164 -4.303 6.451 129 HA LYS 16 HA LYS 16 2.673 -6.320 7.669 130 HB2 LYS 16 2HB LYS 16 0.329 -5.467 8.252 131 HB3 LYS 16 1HB LYS 16 -0.258 -6.547 7.000 132 HG2 LYS 16 2HG LYS 16 0.656 -8.461 8.190 133 HG3 LYS 16 1HG LYS 16 1.293 -7.387 9.441 134 HD2 LYS 16 2HD LYS 16 -1.077 -6.600 9.803 135 HD3 LYS 16 1HD LYS 16 -1.587 -7.926 8.757 136 HE2 LYS 16 2HE LYS 16 -0.573 -9.535 10.265 137 HE3 LYS 16 1HE LYS 16 0.016 -8.227 11.291 138 HZ1 LYS 16 3HZ LYS 16 -1.905 -8.909 12.351 139 HZ2 LYS 16 1HZ LYS 16 -2.755 -9.170 10.903 140 HZ3 LYS 16 2HZ LYS 16 -2.452 -7.591 11.441 141 H ILE 17 H ILE 17 0.600 -6.398 4.806 142 HA ILE 17 HA ILE 17 1.037 -9.055 4.039 143 HB ILE 17 HB ILE 17 0.403 -6.598 2.382 144 HG12 ILE 17 2HG1 ILE 17 -1.303 -8.935 3.280 145 HG13 ILE 17 1HG1 ILE 17 -1.301 -7.334 4.018 146 HG21 ILE 17 1HG2 ILE 17 -0.203 -8.122 0.564 147 HG22 ILE 17 2HG2 ILE 17 0.402 -9.486 1.504 148 HG23 ILE 17 3HG2 ILE 17 1.512 -8.230 0.957 149 HD11 ILE 17 3HD1 ILE 17 -2.104 -6.373 1.930 150 HD12 ILE 17 1HD1 ILE 17 -3.194 -7.618 2.538 151 HD13 ILE 17 2HD1 ILE 17 -2.110 -7.976 1.192 152 H LEU 18 H LEU 18 2.785 -6.089 3.108 153 HA LEU 18 HA LEU 18 4.617 -7.263 1.356 154 HB2 LEU 18 2HB LEU 18 4.950 -4.861 3.155 155 HB3 LEU 18 1HB LEU 18 6.073 -5.301 1.882 156 HG LEU 18 HG LEU 18 3.170 -4.596 1.445 157 HD11 LEU 18 1HD1 LEU 18 4.401 -2.657 2.195 158 HD12 LEU 18 2HD1 LEU 18 4.057 -2.518 0.471 159 HD13 LEU 18 3HD1 LEU 18 5.672 -2.973 1.013 160 HD21 LEU 18 3HD2 LEU 18 3.767 -4.532 -0.913 161 HD22 LEU 18 1HD2 LEU 18 4.079 -6.129 -0.234 162 HD23 LEU 18 2HD2 LEU 18 5.418 -5.018 -0.524 163 H LYS 19 H LYS 19 4.851 -6.772 4.865 164 HA LYS 19 HA LYS 19 7.425 -7.787 5.222 165 HB2 LYS 19 2HB LYS 19 5.008 -7.632 6.999 166 HB3 LYS 19 1HB LYS 19 6.548 -8.248 7.555 167 HG2 LYS 19 2HG LYS 19 6.670 -5.646 6.217 168 HG3 LYS 19 1HG LYS 19 5.782 -5.681 7.730 169 HD2 LYS 19 2HD LYS 19 8.049 -5.119 8.221 170 HD3 LYS 19 1HD LYS 19 7.756 -6.758 8.800 171 HE2 LYS 19 2HE LYS 19 8.822 -7.654 6.788 172 HE3 LYS 19 1HE LYS 19 9.110 -6.013 6.209 173 HZ1 LYS 19 3HZ LYS 19 11.085 -6.911 7.249 174 HZ2 LYS 19 1HZ LYS 19 10.233 -7.209 8.687 175 HZ3 LYS 19 2HZ LYS 19 10.488 -5.617 8.167 176 H GLU 20 H GLU 20 4.248 -9.372 5.368 177 HA GLU 20 HA GLU 20 5.176 -11.960 5.938 178 HB2 GLU 20 2HB GLU 20 2.732 -10.642 5.544 179 HB3 GLU 20 1HB GLU 20 2.765 -11.926 4.349 180 HG2 GLU 20 2HG GLU 20 3.281 -12.346 7.277 181 HG3 GLU 20 1HG GLU 20 1.705 -12.508 6.517 182 H VAL 21 H VAL 21 4.430 -10.323 2.882 183 HA VAL 21 HA VAL 21 4.825 -12.484 1.149 184 HB VAL 21 HB VAL 21 5.077 -9.507 0.736 185 HG11 VAL 21 1HG1 VAL 21 5.220 -11.626 -1.406 186 HG12 VAL 21 2HG1 VAL 21 6.570 -10.628 -0.864 187 HG13 VAL 21 3HG1 VAL 21 5.184 -9.881 -1.658 188 HG21 VAL 21 3HG2 VAL 21 3.030 -11.528 -0.171 189 HG22 VAL 21 1HG2 VAL 21 2.992 -9.794 -0.501 190 HG23 VAL 21 2HG2 VAL 21 2.838 -10.379 1.155 191 H LEU 22 H LEU 22 7.113 -10.077 2.375 192 HA LEU 22 HA LEU 22 9.315 -10.786 0.801 193 HB2 LEU 22 2HB LEU 22 9.109 -8.759 2.260 194 HB3 LEU 22 1HB LEU 22 9.370 -9.790 3.655 195 HG LEU 22 HG LEU 22 11.605 -10.392 2.716 196 HD11 LEU 22 1HD1 LEU 22 11.017 -8.156 0.786 197 HD12 LEU 22 2HD1 LEU 22 11.095 -9.869 0.371 198 HD13 LEU 22 3HD1 LEU 22 12.540 -9.032 0.945 199 HD21 LEU 22 3HD2 LEU 22 11.077 -7.466 3.229 200 HD22 LEU 22 1HD2 LEU 22 12.654 -8.250 3.309 201 HD23 LEU 22 2HD2 LEU 22 11.385 -8.702 4.447 202 H LYS 23 H LYS 23 8.251 -11.991 3.948 203 HA LYS 23 HA LYS 23 10.352 -13.900 4.252 204 HB2 LYS 23 2HB LYS 23 8.723 -12.891 6.014 205 HB3 LYS 23 1HB LYS 23 7.630 -14.153 5.495 206 HG2 LYS 23 2HG LYS 23 10.414 -14.716 6.482 207 HG3 LYS 23 1HG LYS 23 9.001 -14.674 7.536 208 HD2 LYS 23 2HD LYS 23 7.970 -16.470 6.271 209 HD3 LYS 23 1HD LYS 23 9.318 -16.472 5.132 210 HE2 LYS 23 2HE LYS 23 10.835 -17.109 6.946 211 HE3 LYS 23 1HE LYS 23 9.480 -17.117 8.073 212 HZ1 LYS 23 3HZ LYS 23 9.997 -19.342 7.311 213 HZ2 LYS 23 1HZ LYS 23 9.770 -18.884 5.690 214 HZ3 LYS 23 2HZ LYS 23 8.461 -18.884 6.767 215 H LYS 24 H LYS 24 7.023 -14.010 3.177 216 HA LYS 24 HA LYS 24 6.727 -16.761 2.896 217 HB2 LYS 24 2HB LYS 24 4.911 -15.045 2.858 218 HB3 LYS 24 1HB LYS 24 5.385 -14.640 1.216 219 HG2 LYS 24 2HG LYS 24 3.648 -16.059 0.825 220 HG3 LYS 24 1HG LYS 24 4.999 -17.189 0.795 221 HD2 LYS 24 2HD LYS 24 3.245 -16.651 3.190 222 HD3 LYS 24 1HD LYS 24 3.061 -18.017 2.089 223 HE2 LYS 24 2HE LYS 24 5.421 -17.421 3.870 224 HE3 LYS 24 1HE LYS 24 4.251 -18.728 4.061 225 HZ1 LYS 24 3HZ LYS 24 6.306 -19.515 3.071 226 HZ2 LYS 24 1HZ LYS 24 6.143 -18.420 1.792 227 HZ3 LYS 24 2HZ LYS 24 5.024 -19.671 1.965 228 H ALA 25 H ALA 25 8.004 -14.397 0.608 229 HA ALA 25 HA ALA 25 8.054 -16.070 -1.672 230 HB1 ALA 25 1HB ALA 25 8.255 -13.626 -1.771 231 HB2 ALA 25 2HB ALA 25 9.579 -14.428 -2.615 232 HB3 ALA 25 3HB ALA 25 9.845 -13.733 -1.018 233 H LYS 26 H LYS 26 10.113 -15.834 1.071 234 HA LYS 26 HA LYS 26 12.500 -16.888 0.040 235 HB2 LYS 26 2HB LYS 26 11.459 -16.089 2.553 236 HB3 LYS 26 1HB LYS 26 12.124 -17.703 2.751 237 HG2 LYS 26 2HG LYS 26 13.677 -15.498 1.448 238 HG3 LYS 26 1HG LYS 26 13.663 -15.732 3.198 239 HD2 LYS 26 2HD LYS 26 14.428 -18.066 2.833 240 HD3 LYS 26 1HD LYS 26 14.558 -17.713 1.107 241 HE2 LYS 26 2HE LYS 26 16.258 -16.095 1.483 242 HE3 LYS 26 1HE LYS 26 15.998 -16.136 3.226 243 HZ1 LYS 26 3HZ LYS 26 17.014 -18.401 1.597 244 HZ2 LYS 26 1HZ LYS 26 16.808 -18.389 3.281 245 HZ3 LYS 26 2HZ LYS 26 17.971 -17.381 2.562 246 H GLU 27 H GLU 27 9.515 -18.396 0.948 247 HA GLU 27 HA GLU 27 10.550 -20.990 1.465 248 HB2 GLU 27 2HB GLU 27 7.901 -19.749 1.275 249 HB3 GLU 27 1HB GLU 27 7.947 -21.446 0.823 250 HG2 GLU 27 2HG GLU 27 7.452 -21.470 3.094 251 HG3 GLU 27 1HG GLU 27 9.177 -21.816 3.033 252 H GLY 28 H GLY 28 8.182 -20.283 -1.104 253 HA2 GLY 28 2HA GLY 28 9.192 -22.708 -2.396 254 HA3 GLY 28 1HA GLY 28 7.614 -21.986 -2.647 255 H ASP 29 H ASP 29 8.785 -19.317 -3.044 256 HA ASP 29 HA ASP 29 9.451 -17.965 -4.750 257 HB2 ASP 29 2HB ASP 29 11.604 -19.039 -4.654 258 HB3 ASP 29 1HB ASP 29 11.018 -20.403 -5.595 259 H GLU 30 H GLU 30 8.923 -17.370 -6.851 260 HA GLU 30 HA GLU 30 7.579 -17.184 -8.653 261 HB2 GLU 30 2HB GLU 30 8.156 -20.132 -8.840 262 HB3 GLU 30 1HB GLU 30 7.289 -19.233 -10.078 263 HG2 GLU 30 2HG GLU 30 9.312 -17.710 -10.182 264 HG3 GLU 30 1HG GLU 30 10.142 -18.925 -9.208 265 H GLN 31 H GLN 31 6.480 -20.403 -7.645 266 HA GLN 31 HA GLN 31 3.786 -19.951 -8.246 267 HB2 GLN 31 2HB GLN 31 4.994 -21.896 -6.270 268 HB3 GLN 31 1HB GLN 31 3.367 -21.992 -6.931 269 HG2 GLN 31 2HG GLN 31 4.242 -22.348 -9.147 270 HG3 GLN 31 1HG GLN 31 5.890 -22.119 -8.564 271 HE21 GLN 31 1HE2 GLN 31 4.680 -24.392 -9.915 272 HE22 GLN 31 2HE2 GLN 31 4.887 -25.749 -8.859 273 H GLU 32 H GLU 32 5.576 -19.639 -5.242 274 HA GLU 32 HA GLU 32 3.396 -18.947 -3.583 275 HB2 GLU 32 2HB GLU 32 5.720 -19.676 -2.868 276 HB3 GLU 32 1HB GLU 32 6.263 -18.049 -3.254 277 HG2 GLU 32 2HG GLU 32 5.907 -18.017 -0.961 278 HG3 GLU 32 1HG GLU 32 4.476 -17.246 -1.636 279 H LEU 33 H LEU 33 5.561 -17.094 -5.642 280 HA LEU 33 HA LEU 33 4.945 -14.518 -4.705 281 HB2 LEU 33 2HB LEU 33 5.829 -15.336 -7.475 282 HB3 LEU 33 1HB LEU 33 5.905 -13.716 -6.807 283 HG LEU 33 HG LEU 33 7.487 -16.109 -5.866 284 HD11 LEU 33 1HD1 LEU 33 9.416 -14.812 -6.655 285 HD12 LEU 33 2HD1 LEU 33 8.319 -13.585 -7.290 286 HD13 LEU 33 3HD1 LEU 33 8.303 -15.215 -7.963 287 HD21 LEU 33 3HD2 LEU 33 7.510 -13.265 -4.864 288 HD22 LEU 33 1HD2 LEU 33 8.594 -14.555 -4.349 289 HD23 LEU 33 2HD2 LEU 33 6.870 -14.661 -3.999 290 H ALA 34 H ALA 34 3.449 -16.542 -7.167 291 HA ALA 34 HA ALA 34 1.786 -14.674 -8.380 292 HB1 ALA 34 1HB ALA 34 2.109 -16.959 -9.197 293 HB2 ALA 34 2HB ALA 34 0.399 -16.555 -9.049 294 HB3 ALA 34 3HB ALA 34 1.173 -17.575 -7.834 295 H ARG 35 H ARG 35 1.158 -16.702 -5.537 296 HA ARG 35 HA ARG 35 -1.431 -15.770 -4.961 297 HB2 ARG 35 2HB ARG 35 -0.596 -17.766 -3.893 298 HB3 ARG 35 1HB ARG 35 0.741 -16.881 -3.181 299 HG2 ARG 35 2HG ARG 35 -0.895 -15.567 -1.858 300 HG3 ARG 35 1HG ARG 35 -2.171 -16.609 -2.486 301 HD2 ARG 35 2HD ARG 35 -1.335 -18.493 -1.366 302 HD3 ARG 35 1HD ARG 35 0.231 -17.732 -1.079 303 HE ARG 35 HE ARG 35 -1.401 -16.109 0.285 304 HH11 ARG 35 1HH1 ARG 35 -1.210 -19.601 0.212 305 HH12 ARG 35 2HH1 ARG 35 -1.691 -19.796 1.874 306 HH21 ARG 35 1HH2 ARG 35 -2.051 -16.354 2.468 307 HH22 ARG 35 2HH2 ARG 35 -2.140 -17.950 3.155 308 H LEU 36 H LEU 36 1.720 -14.799 -3.733 309 HA LEU 36 HA LEU 36 0.850 -12.861 -1.909 310 HB2 LEU 36 2HB LEU 36 3.472 -13.014 -3.392 311 HB3 LEU 36 1HB LEU 36 3.174 -12.085 -1.934 312 HG LEU 36 HG LEU 36 3.011 -15.094 -2.128 313 HD11 LEU 36 1HD1 LEU 36 5.304 -14.239 -2.384 314 HD12 LEU 36 2HD1 LEU 36 5.079 -15.119 -0.872 315 HD13 LEU 36 3HD1 LEU 36 5.130 -13.356 -0.866 316 HD21 LEU 36 3HD2 LEU 36 2.858 -15.011 0.300 317 HD22 LEU 36 1HD2 LEU 36 1.520 -14.136 -0.447 318 HD23 LEU 36 2HD2 LEU 36 2.875 -13.248 0.253 319 H ASN 37 H ASN 37 1.819 -12.582 -5.296 320 HA ASN 37 HA ASN 37 1.915 -9.805 -5.525 321 HB2 ASN 37 2HB ASN 37 2.678 -11.394 -7.271 322 HB3 ASN 37 1HB ASN 37 0.999 -11.794 -7.620 323 HD21 ASN 37 1HD2 ASN 37 3.536 -9.505 -8.017 324 HD22 ASN 37 2HD2 ASN 37 2.713 -8.456 -9.121 325 H GLN 38 H GLN 38 -0.814 -12.014 -6.049 326 HA GLN 38 HA GLN 38 -2.706 -10.140 -6.822 327 HB2 GLN 38 2HB GLN 38 -2.580 -12.833 -6.534 328 HB3 GLN 38 1HB GLN 38 -3.620 -12.407 -5.183 329 HG2 GLN 38 2HG GLN 38 -4.152 -11.445 -7.966 330 HG3 GLN 38 1HG GLN 38 -4.704 -13.005 -7.373 331 HE21 GLN 38 1HE2 GLN 38 -6.284 -13.090 -5.764 332 HE22 GLN 38 2HE2 GLN 38 -7.275 -11.715 -5.387 333 H GLU 39 H GLU 39 -1.889 -11.362 -3.583 334 HA GLU 39 HA GLU 39 -3.991 -10.022 -2.250 335 HB2 GLU 39 2HB GLU 39 -2.669 -12.000 -1.394 336 HB3 GLU 39 1HB GLU 39 -1.375 -10.873 -1.014 337 HG2 GLU 39 2HG GLU 39 -2.747 -9.715 0.556 338 HG3 GLU 39 1HG GLU 39 -4.171 -10.633 0.068 339 H ILE 40 H ILE 40 -0.680 -9.113 -3.022 340 HA ILE 40 HA ILE 40 -0.594 -6.738 -1.492 341 HB ILE 40 HB ILE 40 0.847 -7.379 -4.074 342 HG12 ILE 40 2HG1 ILE 40 1.785 -7.568 -1.203 343 HG13 ILE 40 1HG1 ILE 40 1.305 -8.938 -2.197 344 HG21 ILE 40 1HG2 ILE 40 1.405 -5.225 -2.031 345 HG22 ILE 40 2HG2 ILE 40 0.782 -4.975 -3.662 346 HG23 ILE 40 3HG2 ILE 40 2.411 -5.609 -3.427 347 HD11 ILE 40 3HD1 ILE 40 3.145 -8.477 -3.727 348 HD12 ILE 40 1HD1 ILE 40 3.723 -8.722 -2.079 349 HD13 ILE 40 2HD1 ILE 40 3.618 -7.092 -2.743 350 H VAL 41 H VAL 41 -1.444 -7.319 -4.903 351 HA VAL 41 HA VAL 41 -2.142 -4.666 -5.528 352 HB VAL 41 HB VAL 41 -3.248 -7.217 -6.728 353 HG11 VAL 41 1HG1 VAL 41 -3.218 -4.406 -7.821 354 HG12 VAL 41 2HG1 VAL 41 -4.638 -5.282 -7.253 355 HG13 VAL 41 3HG1 VAL 41 -3.773 -5.841 -8.684 356 HG21 VAL 41 3HG2 VAL 41 -1.554 -6.825 -8.490 357 HG22 VAL 41 1HG2 VAL 41 -0.842 -7.159 -6.911 358 HG23 VAL 41 2HG2 VAL 41 -0.895 -5.505 -7.523 359 H LYS 42 H LYS 42 -3.974 -7.330 -4.153 360 HA LYS 42 HA LYS 42 -6.530 -6.207 -4.189 361 HB2 LYS 42 2HB LYS 42 -5.896 -8.582 -3.597 362 HB3 LYS 42 1HB LYS 42 -5.398 -7.989 -2.022 363 HG2 LYS 42 2HG LYS 42 -8.182 -7.572 -3.059 364 HG3 LYS 42 1HG LYS 42 -7.706 -9.052 -2.230 365 HD2 LYS 42 2HD LYS 42 -7.115 -7.787 -0.245 366 HD3 LYS 42 1HD LYS 42 -7.459 -6.272 -1.081 367 HE2 LYS 42 2HE LYS 42 -9.321 -6.830 0.337 368 HE3 LYS 42 1HE LYS 42 -9.804 -6.991 -1.351 369 HZ1 LYS 42 3HZ LYS 42 -10.651 -8.870 -0.294 370 HZ2 LYS 42 1HZ LYS 42 -9.240 -9.136 0.607 371 HZ3 LYS 42 2HZ LYS 42 -9.247 -9.435 -1.058 372 H ALA 43 H ALA 43 -3.964 -5.979 -1.742 373 HA ALA 43 HA ALA 43 -5.404 -4.485 0.154 374 HB1 ALA 43 1HB ALA 43 -2.426 -4.523 -0.342 375 HB2 ALA 43 2HB ALA 43 -3.321 -5.641 0.686 376 HB3 ALA 43 3HB ALA 43 -3.223 -3.933 1.117 377 H GLU 44 H GLU 44 -3.209 -3.449 -2.425 378 HA GLU 44 HA GLU 44 -3.340 -0.694 -1.921 379 HB2 GLU 44 2HB GLU 44 -2.909 -2.128 -4.547 380 HB3 GLU 44 1HB GLU 44 -2.544 -0.436 -4.241 381 HG2 GLU 44 2HG GLU 44 -1.290 -2.725 -2.754 382 HG3 GLU 44 1HG GLU 44 -0.581 -1.953 -4.170 383 H LYS 45 H LYS 45 -5.222 -2.721 -4.155 384 HA LYS 45 HA LYS 45 -6.852 -0.701 -5.224 385 HB2 LYS 45 2HB LYS 45 -6.587 -3.472 -5.485 386 HB3 LYS 45 1HB LYS 45 -8.233 -3.243 -4.913 387 HG2 LYS 45 2HG LYS 45 -7.121 -1.753 -7.271 388 HG3 LYS 45 1HG LYS 45 -7.898 -3.329 -7.413 389 HD2 LYS 45 2HD LYS 45 -9.923 -2.381 -6.354 390 HD3 LYS 45 1HD LYS 45 -9.137 -0.801 -6.336 391 HE2 LYS 45 2HE LYS 45 -9.024 -0.761 -8.731 392 HE3 LYS 45 1HE LYS 45 -9.595 -2.425 -8.831 393 HZ1 LYS 45 3HZ LYS 45 -11.714 -1.682 -7.860 394 HZ2 LYS 45 1HZ LYS 45 -11.377 -0.914 -9.335 395 HZ3 LYS 45 2HZ LYS 45 -11.156 -0.078 -7.878 396 H GLN 46 H GLN 46 -7.192 -2.728 -2.377 397 HA GLN 46 HA GLN 46 -9.770 -1.964 -1.563 398 HB2 GLN 46 2HB GLN 46 -8.490 -3.888 -0.672 399 HB3 GLN 46 1HB GLN 46 -7.390 -2.778 0.120 400 HG2 GLN 46 2HG GLN 46 -9.240 -1.941 1.490 401 HG3 GLN 46 1HG GLN 46 -10.321 -3.097 0.712 402 HE21 GLN 46 1HE2 GLN 46 -9.543 -2.830 3.524 403 HE22 GLN 46 2HE2 GLN 46 -8.869 -4.357 3.987 404 H GLY 47 H GLY 47 -6.574 -0.693 -0.731 405 HA2 GLY 47 2HA GLY 47 -7.465 1.290 1.073 406 HA3 GLY 47 1HA GLY 47 -5.907 1.267 0.261 407 H VAL 48 H VAL 48 -6.705 1.467 -2.400 408 HA VAL 48 HA VAL 48 -6.825 4.236 -2.677 409 HB VAL 48 HB VAL 48 -7.493 2.093 -4.700 410 HG11 VAL 48 1HG1 VAL 48 -8.524 4.209 -5.358 411 HG12 VAL 48 2HG1 VAL 48 -7.174 3.802 -6.417 412 HG13 VAL 48 3HG1 VAL 48 -6.976 5.029 -5.166 413 HG21 VAL 48 3HG2 VAL 48 -4.995 3.712 -4.219 414 HG22 VAL 48 1HG2 VAL 48 -5.237 2.586 -5.555 415 HG23 VAL 48 2HG2 VAL 48 -5.209 1.993 -3.894 416 H LYS 49 H LYS 49 -9.437 1.853 -2.762 417 HA LYS 49 HA LYS 49 -11.447 3.615 -3.678 418 HB2 LYS 49 2HB LYS 49 -11.533 1.073 -3.583 419 HB3 LYS 49 1HB LYS 49 -11.901 1.242 -1.873 420 HG2 LYS 49 2HG LYS 49 -13.903 2.515 -2.414 421 HG3 LYS 49 1HG LYS 49 -13.531 2.379 -4.134 422 HD2 LYS 49 2HD LYS 49 -13.641 -0.099 -3.891 423 HD3 LYS 49 1HD LYS 49 -14.190 0.139 -2.231 424 HE2 LYS 49 2HE LYS 49 -16.122 1.392 -3.045 425 HE3 LYS 49 1HE LYS 49 -15.574 1.163 -4.705 426 HZ1 LYS 49 3HZ LYS 49 -15.727 -1.289 -4.244 427 HZ2 LYS 49 1HZ LYS 49 -17.207 -0.458 -4.307 428 HZ3 LYS 49 2HZ LYS 49 -16.542 -0.895 -2.809 429 H VAL 50 H VAL 50 -10.299 2.765 -0.456 430 HA VAL 50 HA VAL 50 -12.261 4.211 0.997 431 HB VAL 50 HB VAL 50 -9.443 3.498 1.849 432 HG11 VAL 50 1HG1 VAL 50 -10.461 5.221 3.260 433 HG12 VAL 50 2HG1 VAL 50 -10.289 3.694 4.128 434 HG13 VAL 50 3HG1 VAL 50 -11.866 4.184 3.510 435 HG21 VAL 50 3HG2 VAL 50 -12.027 1.987 2.221 436 HG22 VAL 50 1HG2 VAL 50 -10.470 1.546 2.925 437 HG23 VAL 50 2HG2 VAL 50 -10.687 1.519 1.174 438 H TYR 51 H TYR 51 -9.031 5.034 -0.188 439 HA TYR 51 HA TYR 51 -8.955 7.640 0.924 440 HB2 TYR 51 2HB TYR 51 -7.431 6.329 -1.310 441 HB3 TYR 51 1HB TYR 51 -7.195 8.024 -0.905 442 HD1 TYR 51 1HD TYR 51 -6.142 8.671 1.195 443 HD2 TYR 51 2HD TYR 51 -6.657 4.574 0.176 444 HE1 TYR 51 1HE TYR 51 -4.544 8.034 2.953 445 HE2 TYR 51 2HE TYR 51 -5.062 3.930 1.927 446 HH TYR 51 HH TYR 51 -3.256 4.852 3.191 447 H LYS 52 H LYS 52 -10.162 6.363 -2.120 448 HA LYS 52 HA LYS 52 -10.596 8.774 -3.471 449 HB2 LYS 52 2HB LYS 52 -10.890 6.304 -4.248 450 HB3 LYS 52 1HB LYS 52 -12.524 6.469 -3.629 451 HG2 LYS 52 2HG LYS 52 -11.394 8.374 -5.655 452 HG3 LYS 52 1HG LYS 52 -12.156 6.853 -6.115 453 HD2 LYS 52 2HD LYS 52 -13.456 9.058 -4.515 454 HD3 LYS 52 1HD LYS 52 -13.722 8.744 -6.231 455 HE2 LYS 52 2HE LYS 52 -14.493 6.436 -5.563 456 HE3 LYS 52 1HE LYS 52 -14.451 6.993 -3.891 457 HZ1 LYS 52 3HZ LYS 52 -16.664 7.225 -4.721 458 HZ2 LYS 52 1HZ LYS 52 -16.131 8.078 -6.090 459 HZ3 LYS 52 2HZ LYS 52 -16.010 8.783 -4.548 460 H GLU 53 H GLU 53 -12.694 6.983 -1.237 461 HA GLU 53 HA GLU 53 -14.841 8.779 -1.164 462 HB2 GLU 53 2HB GLU 53 -14.049 6.393 0.107 463 HB3 GLU 53 1HB GLU 53 -14.369 7.545 1.396 464 HG2 GLU 53 2HG GLU 53 -16.287 6.933 -0.831 465 HG3 GLU 53 1HG GLU 53 -16.298 6.138 0.738 466 H ALA 54 H ALA 54 -11.827 8.658 0.653 467 HA ALA 54 HA ALA 54 -12.492 10.712 2.495 468 HB1 ALA 54 1HB ALA 54 -10.128 10.690 3.086 469 HB2 ALA 54 2HB ALA 54 -9.770 9.707 1.667 470 HB3 ALA 54 3HB ALA 54 -10.760 9.049 2.971 471 H ALA 55 H ALA 55 -10.948 10.680 -0.658 472 HA ALA 55 HA ALA 55 -9.954 13.312 -0.643 473 HB1 ALA 55 1HB ALA 55 -9.796 13.088 -3.054 474 HB2 ALA 55 2HB ALA 55 -10.855 11.679 -3.012 475 HB3 ALA 55 3HB ALA 55 -9.259 11.605 -2.266 476 H GLU 56 H GLU 56 -13.098 11.973 -1.516 477 HA GLU 56 HA GLU 56 -14.094 14.481 -2.519 478 HB2 GLU 56 2HB GLU 56 -15.554 11.932 -1.805 479 HB3 GLU 56 1HB GLU 56 -16.276 13.316 -2.615 480 HG2 GLU 56 2HG GLU 56 -14.646 13.018 -4.459 481 HG3 GLU 56 1HG GLU 56 -14.083 11.549 -3.663 482 H LYS 57 H LYS 57 -13.546 13.277 0.539 483 HA LYS 57 HA LYS 57 -15.598 15.016 1.728 484 HB2 LYS 57 2HB LYS 57 -14.337 12.488 2.597 485 HB3 LYS 57 1HB LYS 57 -14.635 13.673 3.856 486 HG2 LYS 57 2HG LYS 57 -16.484 12.162 3.757 487 HG3 LYS 57 1HG LYS 57 -17.012 13.741 3.175 488 HD2 LYS 57 2HD LYS 57 -16.833 12.970 0.872 489 HD3 LYS 57 1HD LYS 57 -16.231 11.406 1.426 490 HE2 LYS 57 2HE LYS 57 -18.336 11.016 2.608 491 HE3 LYS 57 1HE LYS 57 -18.937 12.578 2.058 492 HZ1 LYS 57 3HZ LYS 57 -18.803 11.796 -0.217 493 HZ2 LYS 57 1HZ LYS 57 -19.778 10.763 0.712 494 HZ3 LYS 57 2HZ LYS 57 -18.197 10.295 0.303 495 H ALA 58 H ALA 58 -12.571 15.237 0.722 496 HA ALA 58 HA ALA 58 -11.123 16.091 3.000 497 HB1 ALA 58 1HB ALA 58 -9.467 16.911 1.406 498 HB2 ALA 58 2HB ALA 58 -10.617 16.686 0.088 499 HB3 ALA 58 3HB ALA 58 -10.014 15.288 0.980 500 H ARG 59 H ARG 59 -11.936 17.691 4.166 501 HA ARG 59 HA ARG 59 -13.190 20.016 3.130 502 HB2 ARG 59 2HB ARG 59 -13.642 19.238 5.388 503 HB3 ARG 59 1HB ARG 59 -11.955 19.436 5.830 504 HG2 ARG 59 2HG ARG 59 -12.164 21.854 5.549 505 HG3 ARG 59 1HG ARG 59 -13.862 21.653 5.108 506 HD2 ARG 59 2HD ARG 59 -14.319 20.672 7.295 507 HD3 ARG 59 1HD ARG 59 -12.620 20.841 7.734 508 HE ARG 59 HE ARG 59 -13.167 23.359 7.240 509 HH11 ARG 59 1HH1 ARG 59 -15.139 20.975 8.899 510 HH12 ARG 59 2HH1 ARG 59 -15.919 22.151 9.918 511 HH21 ARG 59 1HH2 ARG 59 -14.208 24.903 8.573 512 HH22 ARG 59 2HH2 ARG 59 -15.436 24.384 9.689 513 H ASN 60 H ASN 60 -9.976 19.441 4.525 514 HA ASN 60 HA ASN 60 -9.079 22.085 3.776 515 HB2 ASN 60 2HB ASN 60 -7.689 19.767 5.130 516 HB3 ASN 60 1HB ASN 60 -6.891 21.294 4.760 517 HD21 ASN 60 1HD2 ASN 60 -7.486 23.141 5.862 518 HD22 ASN 60 2HD2 ASN 60 -8.366 23.083 7.354 519 HA PRO 61 HA PRO 61 -7.570 20.867 -0.254 520 HB2 PRO 61 2HB PRO 61 -5.854 23.257 0.130 521 HB3 PRO 61 1HB PRO 61 -6.963 22.873 -1.188 522 HG2 PRO 61 2HG PRO 61 -7.582 24.732 0.631 523 HG3 PRO 61 1HG PRO 61 -8.818 23.644 -0.029 524 HD2 PRO 61 2HD PRO 61 -7.426 23.556 2.615 525 HD3 PRO 61 1HD PRO 61 -9.123 23.215 2.221 526 H GLU 62 H GLU 62 -5.520 21.808 2.447 527 HA GLU 62 HA GLU 62 -3.088 20.781 1.517 528 HB2 GLU 62 2HB GLU 62 -4.195 21.273 4.269 529 HB3 GLU 62 1HB GLU 62 -2.544 20.799 3.965 530 HG2 GLU 62 2HG GLU 62 -2.090 22.812 2.782 531 HG3 GLU 62 1HG GLU 62 -3.797 23.257 2.799 532 H LYS 63 H LYS 63 -5.667 19.412 3.499 533 HA LYS 63 HA LYS 63 -4.452 16.890 3.917 534 HB2 LYS 63 2HB LYS 63 -6.256 17.693 5.351 535 HB3 LYS 63 1HB LYS 63 -7.364 17.709 3.988 536 HG2 LYS 63 2HG LYS 63 -7.264 15.297 3.831 537 HG3 LYS 63 1HG LYS 63 -6.057 15.239 5.118 538 HD2 LYS 63 2HD LYS 63 -7.665 16.135 6.701 539 HD3 LYS 63 1HD LYS 63 -8.864 16.307 5.419 540 HE2 LYS 63 2HE LYS 63 -8.913 13.896 5.110 541 HE3 LYS 63 1HE LYS 63 -7.658 13.697 6.334 542 HZ1 LYS 63 3HZ LYS 63 -9.989 13.295 7.114 543 HZ2 LYS 63 1HZ LYS 63 -10.286 14.953 6.896 544 HZ3 LYS 63 2HZ LYS 63 -9.121 14.441 8.017 545 H ARG 64 H ARG 64 -6.570 18.188 1.429 546 HA ARG 64 HA ARG 64 -7.163 15.792 0.092 547 HB2 ARG 64 2HB ARG 64 -8.232 18.048 -0.320 548 HB3 ARG 64 1HB ARG 64 -6.794 18.477 -1.240 549 HG2 ARG 64 2HG ARG 64 -7.243 16.442 -2.661 550 HG3 ARG 64 1HG ARG 64 -8.810 16.335 -1.857 551 HD2 ARG 64 2HD ARG 64 -9.188 17.512 -3.865 552 HD3 ARG 64 1HD ARG 64 -9.195 18.724 -2.584 553 HE ARG 64 HE ARG 64 -6.708 18.961 -3.312 554 HH11 ARG 64 1HH1 ARG 64 -9.463 18.419 -5.401 555 HH12 ARG 64 2HH1 ARG 64 -8.741 19.198 -6.772 556 HH21 ARG 64 1HH2 ARG 64 -5.752 19.987 -5.130 557 HH22 ARG 64 2HH2 ARG 64 -6.648 20.113 -6.614 558 H GLN 65 H GLN 65 -4.417 17.986 -0.114 559 HA GLN 65 HA GLN 65 -3.179 16.910 -2.399 560 HB2 GLN 65 2HB GLN 65 -2.654 19.026 -0.831 561 HB3 GLN 65 1HB GLN 65 -1.476 17.910 -0.164 562 HG2 GLN 65 2HG GLN 65 -1.676 18.791 -3.035 563 HG3 GLN 65 1HG GLN 65 -0.472 19.314 -1.862 564 HE21 GLN 65 1HE2 GLN 65 1.155 17.885 -1.243 565 HE22 GLN 65 2HE2 GLN 65 1.536 16.482 -2.180 566 H VAL 66 H VAL 66 -2.807 16.150 1.050 567 HA VAL 66 HA VAL 66 -0.849 14.165 0.784 568 HB VAL 66 HB VAL 66 -3.041 14.296 2.866 569 HG11 VAL 66 1HG1 VAL 66 -1.886 12.137 2.815 570 HG12 VAL 66 2HG1 VAL 66 -1.505 13.036 4.282 571 HG13 VAL 66 3HG1 VAL 66 -0.335 12.963 2.967 572 HG21 VAL 66 3HG2 VAL 66 -1.821 16.388 2.776 573 HG22 VAL 66 1HG2 VAL 66 -0.287 15.521 2.859 574 HG23 VAL 66 2HG2 VAL 66 -1.390 15.496 4.235 575 H ILE 67 H ILE 67 -4.394 13.920 0.816 576 HA ILE 67 HA ILE 67 -4.538 11.116 0.565 577 HB ILE 67 HB ILE 67 -6.546 13.173 -0.371 578 HG12 ILE 67 2HG1 ILE 67 -6.380 11.675 2.254 579 HG13 ILE 67 1HG1 ILE 67 -5.936 13.364 2.029 580 HG21 ILE 67 1HG2 ILE 67 -8.177 11.348 -0.143 581 HG22 ILE 67 2HG2 ILE 67 -6.863 10.235 0.234 582 HG23 ILE 67 3HG2 ILE 67 -6.949 10.991 -1.359 583 HD11 ILE 67 3HD1 ILE 67 -8.219 13.921 1.465 584 HD12 ILE 67 1HD1 ILE 67 -8.161 13.093 3.022 585 HD13 ILE 67 2HD1 ILE 67 -8.684 12.224 1.578 586 H ASP 68 H ASP 68 -4.645 13.700 -1.863 587 HA ASP 68 HA ASP 68 -4.980 12.116 -4.158 588 HB2 ASP 68 2HB ASP 68 -5.254 14.546 -4.178 589 HB3 ASP 68 1HB ASP 68 -3.550 14.766 -3.816 590 H LYS 69 H LYS 69 -2.063 13.255 -2.536 591 HA LYS 69 HA LYS 69 -0.158 12.209 -4.292 592 HB2 LYS 69 2HB LYS 69 0.339 13.804 -2.480 593 HB3 LYS 69 1HB LYS 69 0.007 12.561 -1.288 594 HG2 LYS 69 2HG LYS 69 2.139 12.126 -3.329 595 HG3 LYS 69 1HG LYS 69 2.453 13.142 -1.923 596 HD2 LYS 69 2HD LYS 69 1.812 11.277 -0.455 597 HD3 LYS 69 1HD LYS 69 1.538 10.266 -1.876 598 HE2 LYS 69 2HE LYS 69 3.705 9.768 -0.961 599 HE3 LYS 69 1HE LYS 69 3.909 10.589 -2.508 600 HZ1 LYS 69 3HZ LYS 69 4.314 11.683 0.217 601 HZ2 LYS 69 1HZ LYS 69 4.161 12.687 -1.146 602 HZ3 LYS 69 2HZ LYS 69 5.432 11.574 -1.056 603 H ILE 70 H ILE 70 -1.691 10.729 -1.442 604 HA ILE 70 HA ILE 70 -0.327 8.250 -1.669 605 HB ILE 70 HB ILE 70 -2.969 8.855 -0.324 606 HG12 ILE 70 2HG1 ILE 70 -0.181 8.626 0.833 607 HG13 ILE 70 1HG1 ILE 70 -1.017 10.143 0.525 608 HG21 ILE 70 1HG2 ILE 70 -2.568 6.787 0.943 609 HG22 ILE 70 2HG2 ILE 70 -1.138 6.474 -0.038 610 HG23 ILE 70 3HG2 ILE 70 -2.734 6.473 -0.786 611 HD11 ILE 70 3HD1 ILE 70 -1.137 9.546 2.865 612 HD12 ILE 70 1HD1 ILE 70 -1.881 8.002 2.451 613 HD13 ILE 70 2HD1 ILE 70 -2.742 9.508 2.133 614 H LEU 71 H LEU 71 -3.411 9.447 -2.899 615 HA LEU 71 HA LEU 71 -4.456 7.102 -3.950 616 HB2 LEU 71 2HB LEU 71 -4.693 10.005 -4.583 617 HB3 LEU 71 1HB LEU 71 -5.394 8.856 -5.692 618 HG LEU 71 HG LEU 71 -6.075 9.052 -2.760 619 HD11 LEU 71 1HD1 LEU 71 -8.187 10.004 -3.516 620 HD12 LEU 71 2HD1 LEU 71 -7.620 9.962 -5.186 621 HD13 LEU 71 3HD1 LEU 71 -6.829 11.015 -4.011 622 HD21 LEU 71 3HD2 LEU 71 -7.899 7.543 -3.307 623 HD22 LEU 71 1HD2 LEU 71 -6.348 6.803 -3.703 624 HD23 LEU 71 2HD2 LEU 71 -7.359 7.472 -4.984 625 H GLU 72 H GLU 72 -2.299 9.478 -5.462 626 HA GLU 72 HA GLU 72 -2.041 8.085 -7.920 627 HB2 GLU 72 2HB GLU 72 -1.503 10.461 -7.695 628 HB3 GLU 72 1HB GLU 72 -0.182 10.072 -6.608 629 HG2 GLU 72 2HG GLU 72 0.954 8.870 -8.388 630 HG3 GLU 72 1HG GLU 72 -0.376 9.228 -9.487 631 H ASP 73 H ASP 73 -0.113 8.233 -4.997 632 HA ASP 73 HA ASP 73 2.061 6.711 -5.850 633 HB2 ASP 73 2HB ASP 73 0.976 7.540 -3.231 634 HB3 ASP 73 1HB ASP 73 2.087 6.175 -3.225 635 H GLU 74 H GLU 74 -0.975 5.620 -4.326 636 HA GLU 74 HA GLU 74 -0.022 2.931 -4.140 637 HB2 GLU 74 2HB GLU 74 -2.877 3.919 -4.028 638 HB3 GLU 74 1HB GLU 74 -2.324 2.317 -3.564 639 HG2 GLU 74 2HG GLU 74 -1.610 4.920 -2.226 640 HG3 GLU 74 1HG GLU 74 -2.705 3.689 -1.615 641 H GLU 75 H GLU 75 -1.940 4.718 -6.559 642 HA GLU 75 HA GLU 75 -2.462 2.619 -8.316 643 HB2 GLU 75 2HB GLU 75 -2.673 5.406 -8.335 644 HB3 GLU 75 1HB GLU 75 -1.572 5.051 -9.657 645 HG2 GLU 75 2HG GLU 75 -4.446 4.380 -9.341 646 HG3 GLU 75 1HG GLU 75 -3.569 5.001 -10.728 647 H LYS 76 H LYS 76 0.389 4.603 -7.807 648 HA LYS 76 HA LYS 76 2.030 3.751 -9.889 649 HB2 LYS 76 2HB LYS 76 2.564 5.649 -8.461 650 HB3 LYS 76 1HB LYS 76 2.691 4.600 -7.060 651 HG2 LYS 76 2HG LYS 76 4.564 3.469 -8.565 652 HG3 LYS 76 1HG LYS 76 4.618 5.097 -9.248 653 HD2 LYS 76 2HD LYS 76 4.988 4.314 -6.354 654 HD3 LYS 76 1HD LYS 76 6.213 4.962 -7.443 655 HE2 LYS 76 2HE LYS 76 5.001 7.077 -7.563 656 HE3 LYS 76 1HE LYS 76 3.735 6.426 -6.524 657 HZ1 LYS 76 3HZ LYS 76 5.416 6.167 -4.753 658 HZ2 LYS 76 1HZ LYS 76 5.238 7.785 -5.240 659 HZ3 LYS 76 2HZ LYS 76 6.569 6.884 -5.761 660 H HIS 77 H HIS 77 1.436 2.362 -6.704 661 HA HIS 77 HA HIS 77 3.443 0.339 -6.938 662 HB2 HIS 77 2HB HIS 77 1.110 0.558 -5.032 663 HB3 HIS 77 1HB HIS 77 2.457 -0.566 -4.874 664 HD2 HIS 77 2HD HIS 77 4.617 1.981 -5.728 665 HE1 HIS 77 1HE HIS 77 3.425 3.261 -1.885 666 HE2 HIS 77 2HE HIS 77 5.013 3.677 -3.804 667 H ILE 78 H ILE 78 -0.073 0.434 -7.359 668 HA ILE 78 HA ILE 78 -0.538 -2.270 -7.871 669 HB ILE 78 HB ILE 78 -1.894 0.124 -9.128 670 HG12 ILE 78 2HG1 ILE 78 -2.681 -1.569 -6.744 671 HG13 ILE 78 1HG1 ILE 78 -1.993 0.049 -6.650 672 HG21 ILE 78 1HG2 ILE 78 -3.761 -1.395 -9.585 673 HG22 ILE 78 2HG2 ILE 78 -2.815 -2.744 -8.959 674 HG23 ILE 78 3HG2 ILE 78 -2.295 -1.909 -10.423 675 HD11 ILE 78 3HD1 ILE 78 -4.633 -0.680 -7.898 676 HD12 ILE 78 1HD1 ILE 78 -3.948 0.944 -7.804 677 HD13 ILE 78 2HD1 ILE 78 -4.396 0.087 -6.328 678 H GLU 79 H GLU 79 0.428 0.331 -10.057 679 HA GLU 79 HA GLU 79 0.550 -1.073 -12.450 680 HB2 GLU 79 2HB GLU 79 1.669 1.402 -11.365 681 HB3 GLU 79 1HB GLU 79 2.686 0.670 -12.596 682 HG2 GLU 79 2HG GLU 79 -0.234 1.292 -12.954 683 HG3 GLU 79 1HG GLU 79 1.088 2.341 -13.468 684 H TRP 80 H TRP 80 3.121 -0.624 -10.025 685 HA TRP 80 HA TRP 80 5.137 -1.991 -11.416 686 HB2 TRP 80 2HB TRP 80 4.738 -1.624 -8.443 687 HB3 TRP 80 1HB TRP 80 6.206 -2.262 -9.169 688 HD1 TRP 80 HD TRP 80 5.410 0.289 -11.521 689 HE1 TRP 80 1HE TRP 80 6.548 2.532 -10.957 690 HE3 TRP 80 3HE TRP 80 6.663 -0.642 -6.655 691 HZ2 TRP 80 2HZ TRP 80 7.817 3.734 -8.741 692 HZ3 TRP 80 3HZ TRP 80 7.840 1.105 -5.380 693 HH2 TRP 80 HH TRP 80 8.405 3.245 -6.405 694 H HIS 81 H HIS 81 2.863 -3.141 -8.945 695 HA HIS 81 HA HIS 81 3.932 -5.778 -8.940 696 HB2 HIS 81 2HB HIS 81 1.473 -4.553 -7.737 697 HB3 HIS 81 1HB HIS 81 1.750 -6.293 -7.673 698 HD1 HIS 81 1HD HIS 81 3.888 -7.092 -6.297 699 HD2 HIS 81 2HD HIS 81 2.991 -3.047 -6.015 700 HE1 HIS 81 1HE HIS 81 5.289 -6.186 -4.398 701 H LYS 82 H LYS 82 1.368 -4.219 -10.763 702 HA LYS 82 HA LYS 82 0.227 -6.632 -11.737 703 HB2 LYS 82 2HB LYS 82 -0.857 -4.361 -11.831 704 HB3 LYS 82 1HB LYS 82 0.242 -3.958 -13.144 705 HG2 LYS 82 2HG LYS 82 -0.674 -5.746 -14.496 706 HG3 LYS 82 1HG LYS 82 -1.729 -6.232 -13.169 707 HD2 LYS 82 2HD LYS 82 -2.854 -4.066 -13.270 708 HD3 LYS 82 1HD LYS 82 -1.799 -3.576 -14.596 709 HE2 LYS 82 2HE LYS 82 -3.732 -5.891 -14.631 710 HE3 LYS 82 1HE LYS 82 -3.977 -4.332 -15.414 711 HZ1 LYS 82 3HZ LYS 82 -3.223 -5.952 -17.006 712 HZ2 LYS 82 1HZ LYS 82 -1.853 -6.312 -16.069 713 HZ3 LYS 82 2HZ LYS 82 -2.012 -4.785 -16.783 714 H ALA 83 H ALA 83 2.868 -4.567 -12.814 715 HA ALA 83 HA ALA 83 3.430 -5.969 -15.219 716 HB1 ALA 83 1HB ALA 83 5.280 -4.337 -13.477 717 HB2 ALA 83 2HB ALA 83 4.286 -3.718 -14.796 718 HB3 ALA 83 3HB ALA 83 5.604 -4.840 -15.136 719 H ALA 84 H ALA 84 4.392 -6.363 -11.869 720 HA ALA 84 HA ALA 84 6.320 -8.397 -12.270 721 HB1 ALA 84 1HB ALA 84 6.199 -7.123 -10.195 722 HB2 ALA 84 2HB ALA 84 6.072 -8.854 -9.883 723 HB3 ALA 84 3HB ALA 84 4.629 -7.841 -9.835 724 H SER 85 H SER 85 2.837 -8.421 -12.005 725 HA SER 85 HA SER 85 2.520 -11.219 -11.671 726 HB2 SER 85 2HB SER 85 0.720 -9.601 -11.164 727 HB3 SER 85 1HB SER 85 0.596 -9.216 -12.878 728 HG SER 85 HG SER 85 0.401 -11.814 -12.737 729 H LYS 86 H LYS 86 3.400 -9.272 -14.337 730 HA LYS 86 HA LYS 86 2.701 -11.252 -16.335 731 HB2 LYS 86 2HB LYS 86 2.886 -8.641 -16.605 732 HB3 LYS 86 1HB LYS 86 4.599 -8.972 -16.811 733 HG2 LYS 86 2HG LYS 86 2.421 -10.205 -18.489 734 HG3 LYS 86 1HG LYS 86 3.339 -8.766 -18.936 735 HD2 LYS 86 2HD LYS 86 5.393 -10.039 -18.953 736 HD3 LYS 86 1HD LYS 86 4.545 -11.472 -18.369 737 HE2 LYS 86 2HE LYS 86 3.194 -11.482 -20.425 738 HE3 LYS 86 1HE LYS 86 4.101 -10.087 -21.012 739 HZ1 LYS 86 3HZ LYS 86 5.231 -12.763 -20.401 740 HZ2 LYS 86 1HZ LYS 86 6.121 -11.421 -20.931 741 HZ3 LYS 86 2HZ LYS 86 4.963 -12.125 -21.949 742 H GLN 87 H GLN 87 5.694 -9.848 -15.005 743 HA GLN 87 HA GLN 87 6.880 -12.468 -14.824 744 HB2 GLN 87 2HB GLN 87 7.324 -11.235 -17.215 745 HB3 GLN 87 1HB GLN 87 8.666 -10.603 -16.275 746 HG2 GLN 87 2HG GLN 87 8.091 -13.541 -16.433 747 HG3 GLN 87 1HG GLN 87 9.055 -12.712 -17.648 748 HE21 GLN 87 1HE2 GLN 87 10.860 -13.937 -17.160 749 HE22 GLN 87 2HE2 GLN 87 11.778 -13.706 -15.713 750 H GLY 88 H GLY 88 7.417 -12.322 -12.745 751 HA2 GLY 88 2HA GLY 88 9.246 -10.176 -11.954 752 HA3 GLY 88 1HA GLY 88 7.792 -10.432 -10.995 753 H ASN 89 H ASN 89 10.760 -11.962 -12.123 754 HA ASN 89 HA ASN 89 10.633 -14.263 -10.502 755 HB2 ASN 89 2HB ASN 89 12.989 -12.771 -11.671 756 HB3 ASN 89 1HB ASN 89 13.145 -14.304 -10.821 757 HD21 ASN 89 1HD2 ASN 89 10.670 -15.398 -11.842 758 HD22 ASN 89 2HD2 ASN 89 10.953 -15.788 -13.505 759 H ALA 90 H ALA 90 12.112 -14.741 -8.670 760 HA ALA 90 HA ALA 90 11.446 -13.287 -6.442 761 HB1 ALA 90 1HB ALA 90 12.326 -15.572 -6.395 762 HB2 ALA 90 2HB ALA 90 13.157 -14.522 -5.248 763 HB3 ALA 90 3HB ALA 90 13.934 -14.954 -6.771 764 H GLU 91 H GLU 91 14.294 -12.862 -8.467 765 HA GLU 91 HA GLU 91 15.796 -11.179 -6.798 766 HB2 GLU 91 2HB GLU 91 16.506 -12.297 -8.960 767 HB3 GLU 91 1HB GLU 91 15.632 -11.046 -9.810 768 HG2 GLU 91 2HG GLU 91 17.970 -10.515 -9.769 769 HG3 GLU 91 1HG GLU 91 17.076 -9.352 -8.794 770 H GLN 92 H GLN 92 13.539 -10.453 -9.392 771 HA GLN 92 HA GLN 92 13.606 -7.626 -9.025 772 HB2 GLN 92 2HB GLN 92 11.529 -9.303 -10.452 773 HB3 GLN 92 1HB GLN 92 11.782 -7.573 -10.645 774 HG2 GLN 92 2HG GLN 92 13.710 -9.757 -11.399 775 HG3 GLN 92 1HG GLN 92 12.735 -8.790 -12.505 776 HE21 GLN 92 1HE2 GLN 92 15.646 -9.134 -12.265 777 HE22 GLN 92 2HE2 GLN 92 16.288 -7.532 -12.073 778 H PHE 93 H PHE 93 11.430 -10.199 -8.005 779 HA PHE 93 HA PHE 93 9.327 -8.503 -7.164 780 HB2 PHE 93 2HB PHE 93 9.169 -10.964 -7.772 781 HB3 PHE 93 1HB PHE 93 9.845 -11.311 -6.185 782 HD1 PHE 93 2HD PHE 93 6.949 -9.923 -7.974 783 HD2 PHE 93 1HD PHE 93 8.524 -11.140 -4.215 784 HE1 PHE 93 2HE PHE 93 4.695 -9.801 -6.993 785 HE2 PHE 93 1HE PHE 93 6.277 -11.021 -3.228 786 HZ PHE 93 HZ PHE 93 4.359 -10.347 -4.614 787 H ALA 94 H ALA 94 11.908 -10.174 -5.361 788 HA ALA 94 HA ALA 94 11.107 -9.341 -2.799 789 HB1 ALA 94 1HB ALA 94 12.729 -11.126 -3.141 790 HB2 ALA 94 2HB ALA 94 13.396 -9.865 -2.100 791 HB3 ALA 94 3HB ALA 94 13.886 -9.963 -3.792 792 H SER 95 H SER 95 13.144 -7.809 -5.234 793 HA SER 95 HA SER 95 13.977 -5.637 -3.620 794 HB2 SER 95 2HB SER 95 13.751 -5.804 -6.637 795 HB3 SER 95 1HB SER 95 14.744 -4.684 -5.719 796 HG SER 95 HG SER 95 15.130 -7.389 -6.250 797 H LEU 96 H LEU 96 11.289 -6.195 -5.824 798 HA LEU 96 HA LEU 96 10.233 -3.599 -5.908 799 HB2 LEU 96 2HB LEU 96 9.566 -5.408 -7.427 800 HB3 LEU 96 1HB LEU 96 8.811 -6.256 -6.096 801 HG LEU 96 HG LEU 96 7.147 -4.477 -5.871 802 HD11 LEU 96 1HD1 LEU 96 7.033 -2.686 -7.556 803 HD12 LEU 96 2HD1 LEU 96 8.578 -3.223 -8.215 804 HD13 LEU 96 3HD1 LEU 96 8.493 -2.582 -6.573 805 HD21 LEU 96 3HD2 LEU 96 6.655 -6.335 -7.358 806 HD22 LEU 96 1HD2 LEU 96 7.455 -5.504 -8.692 807 HD23 LEU 96 2HD2 LEU 96 5.972 -4.840 -8.001 808 H VAL 97 H VAL 97 9.514 -6.325 -3.761 809 HA VAL 97 HA VAL 97 7.504 -5.141 -2.234 810 HB VAL 97 HB VAL 97 9.577 -7.160 -1.355 811 HG11 VAL 97 1HG1 VAL 97 8.526 -6.074 0.571 812 HG12 VAL 97 2HG1 VAL 97 8.020 -7.758 0.423 813 HG13 VAL 97 3HG1 VAL 97 6.933 -6.462 -0.079 814 HG21 VAL 97 3HG2 VAL 97 7.838 -8.811 -1.811 815 HG22 VAL 97 1HG2 VAL 97 8.246 -7.895 -3.262 816 HG23 VAL 97 2HG2 VAL 97 6.764 -7.533 -2.378 817 H GLN 98 H GLN 98 11.020 -5.011 -1.845 818 HA GLN 98 HA GLN 98 11.030 -3.623 0.612 819 HB2 GLN 98 2HB GLN 98 13.000 -4.789 -0.225 820 HB3 GLN 98 1HB GLN 98 13.102 -3.680 -1.585 821 HG2 GLN 98 2HG GLN 98 13.527 -1.833 -0.051 822 HG3 GLN 98 1HG GLN 98 13.425 -2.941 1.315 823 HE21 GLN 98 1HE2 GLN 98 14.890 -3.830 -1.717 824 HE22 GLN 98 2HE2 GLN 98 16.517 -3.901 -1.139 825 H GLN 99 H GLN 99 11.194 -2.482 -2.744 826 HA GLN 99 HA GLN 99 11.525 0.258 -2.084 827 HB2 GLN 99 2HB GLN 99 10.426 -0.990 -4.615 828 HB3 GLN 99 1HB GLN 99 10.951 0.680 -4.444 829 HG2 GLN 99 2HG GLN 99 12.698 -1.758 -4.162 830 HG3 GLN 99 1HG GLN 99 12.636 -0.677 -5.554 831 HE21 GLN 99 1HE2 GLN 99 14.859 -1.388 -3.769 832 HE22 GLN 99 2HE2 GLN 99 15.438 0.107 -3.108 833 H HIS 100 H HIS 100 8.725 -1.775 -2.695 834 HA HIS 100 HA HIS 100 6.760 0.256 -2.657 835 HB2 HIS 100 2HB HIS 100 6.450 -2.101 -3.475 836 HB3 HIS 100 1HB HIS 100 6.470 -2.639 -1.801 837 HD1 HIS 100 1HD HIS 100 4.003 -3.361 -3.270 838 HD2 HIS 100 2HD HIS 100 4.443 0.343 -1.446 839 HE1 HIS 100 1HE HIS 100 1.667 -2.496 -2.856 840 H LEU 101 H LEU 101 8.085 -1.865 -0.138 841 HA LEU 101 HA LEU 101 6.488 -1.061 2.000 842 HB2 LEU 101 2HB LEU 101 8.523 -2.837 1.630 843 HB3 LEU 101 1HB LEU 101 9.315 -1.628 2.617 844 HG LEU 101 HG LEU 101 6.766 -3.056 3.387 845 HD11 LEU 101 1HD1 LEU 101 9.608 -3.543 4.270 846 HD12 LEU 101 2HD1 LEU 101 8.621 -4.621 3.283 847 HD13 LEU 101 3HD1 LEU 101 8.174 -4.302 4.960 848 HD21 LEU 101 3HD2 LEU 101 6.989 -0.869 4.430 849 HD22 LEU 101 1HD2 LEU 101 8.619 -1.275 4.969 850 HD23 LEU 101 2HD2 LEU 101 7.231 -2.152 5.616 851 H GLN 102 H GLN 102 9.450 0.346 0.694 852 HA GLN 102 HA GLN 102 9.949 2.239 2.686 853 HB2 GLN 102 2HB GLN 102 10.908 1.517 0.096 854 HB3 GLN 102 1HB GLN 102 10.689 3.256 0.141 855 HG2 GLN 102 2HG GLN 102 12.121 1.893 2.369 856 HG3 GLN 102 1HG GLN 102 12.947 2.185 0.842 857 HE21 GLN 102 1HE2 GLN 102 14.394 3.614 1.804 858 HE22 GLN 102 2HE2 GLN 102 13.925 5.205 2.305 859 H ASP 103 H ASP 103 8.007 2.410 -0.275 860 HA ASP 103 HA ASP 103 7.409 5.173 -0.070 861 HB2 ASP 103 2HB ASP 103 6.969 3.175 -1.959 862 HB3 ASP 103 1HB ASP 103 5.359 3.625 -1.429 863 H GLU 104 H GLU 104 5.756 2.247 1.021 864 HA GLU 104 HA GLU 104 3.362 3.520 1.829 865 HB2 GLU 104 2HB GLU 104 4.594 0.954 2.840 866 HB3 GLU 104 1HB GLU 104 2.958 1.491 3.189 867 HG2 GLU 104 2HG GLU 104 4.079 0.782 0.489 868 HG3 GLU 104 1HG GLU 104 2.935 -0.161 1.439 869 H GLN 105 H GLN 105 6.404 2.876 3.502 870 HA GLN 105 HA GLN 105 5.566 3.660 6.060 871 HB2 GLN 105 2HB GLN 105 8.269 3.601 4.741 872 HB3 GLN 105 1HB GLN 105 8.044 4.084 6.408 873 HG2 GLN 105 2HG GLN 105 7.025 1.901 6.889 874 HG3 GLN 105 1HG GLN 105 7.342 1.421 5.222 875 HE21 GLN 105 1HE2 GLN 105 9.440 1.008 4.575 876 HE22 GLN 105 2HE2 GLN 105 10.724 0.749 5.706 877 H ARG 106 H ARG 106 6.737 5.457 3.292 878 HA ARG 106 HA ARG 106 7.038 7.981 4.550 879 HB2 ARG 106 2HB ARG 106 6.288 7.339 1.679 880 HB3 ARG 106 1HB ARG 106 6.899 8.880 2.264 881 HG2 ARG 106 2HG ARG 106 9.035 7.994 2.686 882 HG3 ARG 106 1HG ARG 106 8.461 6.333 2.531 883 HD2 ARG 106 2HD ARG 106 8.012 6.712 0.158 884 HD3 ARG 106 1HD ARG 106 8.582 8.374 0.317 885 HE ARG 106 HE ARG 106 10.666 6.870 1.208 886 HH11 ARG 106 1HH1 ARG 106 8.744 6.737 -1.723 887 HH12 ARG 106 2HH1 ARG 106 10.105 6.334 -2.731 888 HH21 ARG 106 1HH2 ARG 106 12.440 6.300 -0.145 889 HH22 ARG 106 2HH2 ARG 106 12.173 6.078 -1.848 890 H HIS 107 H HIS 107 4.317 6.383 2.941 891 HA HIS 107 HA HIS 107 2.461 8.472 3.095 892 HB2 HIS 107 2HB HIS 107 1.962 5.484 3.268 893 HB3 HIS 107 1HB HIS 107 0.720 6.698 2.992 894 HD2 HIS 107 2HD HIS 107 3.113 8.152 0.817 895 HE1 HIS 107 1HE HIS 107 1.704 4.885 -1.470 896 HE2 HIS 107 2HE HIS 107 3.100 7.006 -1.507 897 H VAL 108 H VAL 108 3.047 5.792 5.364 898 HA VAL 108 HA VAL 108 1.236 6.589 7.348 899 HB VAL 108 HB VAL 108 3.884 5.173 7.745 900 HG11 VAL 108 1HG1 VAL 108 2.873 4.284 9.779 901 HG12 VAL 108 2HG1 VAL 108 1.412 5.222 9.474 902 HG13 VAL 108 3HG1 VAL 108 2.931 6.046 9.821 903 HG21 VAL 108 3HG2 VAL 108 2.483 4.023 6.110 904 HG22 VAL 108 1HG2 VAL 108 1.135 4.035 7.242 905 HG23 VAL 108 2HG2 VAL 108 2.586 3.104 7.612 906 H GLU 109 H GLU 109 4.670 7.346 6.919 907 HA GLU 109 HA GLU 109 5.051 8.935 9.171 908 HB2 GLU 109 2HB GLU 109 6.371 8.634 6.525 909 HB3 GLU 109 1HB GLU 109 6.802 10.036 7.481 910 HG2 GLU 109 2HG GLU 109 6.985 7.170 8.386 911 HG3 GLU 109 1HG GLU 109 8.334 8.158 7.831 912 H GLU 110 H GLU 110 3.877 9.828 5.945 913 HA GLU 110 HA GLU 110 3.688 12.598 6.519 914 HB2 GLU 110 2HB GLU 110 2.619 10.803 4.367 915 HB3 GLU 110 1HB GLU 110 2.140 12.484 4.451 916 HG2 GLU 110 2HG GLU 110 4.494 13.159 4.306 917 HG3 GLU 110 1HG GLU 110 4.955 11.461 4.204 918 H ILE 111 H ILE 111 1.445 9.892 6.809 919 HA ILE 111 HA ILE 111 -0.870 11.499 7.223 920 HB ILE 111 HB ILE 111 -0.362 8.587 7.823 921 HG12 ILE 111 2HG1 ILE 111 -1.927 9.932 5.609 922 HG13 ILE 111 1HG1 ILE 111 -0.323 9.227 5.433 923 HG21 ILE 111 1HG2 ILE 111 -2.784 8.353 8.058 924 HG22 ILE 111 2HG2 ILE 111 -2.969 10.100 7.898 925 HG23 ILE 111 3HG2 ILE 111 -2.117 9.426 9.287 926 HD11 ILE 111 3HD1 ILE 111 -2.039 7.741 4.573 927 HD12 ILE 111 1HD1 ILE 111 -2.840 7.730 6.144 928 HD13 ILE 111 2HD1 ILE 111 -1.232 7.024 5.967 929 H GLU 112 H GLU 112 1.272 9.726 9.480 930 HA GLU 112 HA GLU 112 -0.334 9.909 11.724 931 HB2 GLU 112 2HB GLU 112 2.652 9.732 11.435 932 HB3 GLU 112 1HB GLU 112 1.838 9.650 12.977 933 HG2 GLU 112 2HG GLU 112 0.551 7.694 12.110 934 HG3 GLU 112 1HG GLU 112 1.602 7.728 10.693 935 H LYS 113 H LYS 113 2.009 12.256 10.494 936 HA LYS 113 HA LYS 113 1.647 13.845 12.925 937 HB2 LYS 113 2HB LYS 113 3.496 15.056 11.086 938 HB3 LYS 113 1HB LYS 113 3.785 14.457 12.709 939 HG2 LYS 113 2HG LYS 113 3.795 12.697 10.268 940 HG3 LYS 113 1HG LYS 113 5.232 13.489 10.908 941 HD2 LYS 113 2HD LYS 113 4.957 12.295 13.025 942 HD3 LYS 113 1HD LYS 113 3.495 11.523 12.405 943 HE2 LYS 113 2HE LYS 113 4.829 10.502 10.603 944 HE3 LYS 113 1HE LYS 113 6.281 11.226 11.286 945 HZ1 LYS 113 3HZ LYS 113 5.862 9.939 13.325 946 HZ2 LYS 113 1HZ LYS 113 6.110 8.955 11.968 947 HZ3 LYS 113 2HZ LYS 113 4.543 9.185 12.575 948 H LYS 114 H LYS 114 -0.116 13.577 10.327 949 HA LYS 114 HA LYS 114 -0.249 16.454 9.755 950 HB2 LYS 114 2HB LYS 114 -0.275 14.313 8.025 951 HB3 LYS 114 1HB LYS 114 -1.980 14.720 8.158 952 HG2 LYS 114 2HG LYS 114 0.258 16.533 7.273 953 HG3 LYS 114 1HG LYS 114 -1.033 15.869 6.277 954 HD2 LYS 114 2HD LYS 114 -1.831 17.987 6.640 955 HD3 LYS 114 1HD LYS 114 -2.570 17.138 7.999 956 HE2 LYS 114 2HE LYS 114 -0.686 17.867 9.427 957 HE3 LYS 114 1HE LYS 114 -0.044 18.786 8.066 958 HZ1 LYS 114 3HZ LYS 114 -2.086 20.097 8.047 959 HZ2 LYS 114 1HZ LYS 114 -1.298 20.206 9.548 960 HZ3 LYS 114 2HZ LYS 114 -2.675 19.226 9.384 961 H ASN 115 H ASN 115 -1.432 17.259 11.401 962 HA ASN 115 HA ASN 115 -3.993 16.120 12.097 963 HB2 ASN 115 2HB ASN 115 -4.158 18.063 13.639 964 HB3 ASN 115 1HB ASN 115 -2.685 17.130 13.873 965 HD21 ASN 115 1HD2 ASN 115 -4.019 20.178 13.090 966 HD22 ASN 115 2HD2 ASN 115 -2.521 21.024 12.878 Start of MODEL 11 1 H1 MET 1 H1 MET 1 -15.125 7.341 16.413 2 H2 MET 1 H2 MET 1 -16.111 6.006 16.740 3 H3 MET 1 H3 MET 1 -16.659 7.229 15.705 4 HA MET 1 HA MET 1 -14.383 5.405 15.190 5 HB2 MET 1 2HB MET 1 -16.771 4.500 15.027 6 HB3 MET 1 1HB MET 1 -17.002 5.629 13.700 7 HG2 MET 1 2HG MET 1 -16.488 3.440 12.847 8 HG3 MET 1 1HG MET 1 -15.170 4.554 12.482 9 HE1 MET 1 2HE MET 1 -14.971 1.465 15.912 10 HE2 MET 1 3HE MET 1 -16.388 1.675 14.881 11 HE3 MET 1 1HE MET 1 -15.914 2.952 16.002 12 H ASP 2 H ASP 2 -12.855 6.488 14.096 13 HA ASP 2 HA ASP 2 -13.672 8.935 12.681 14 HB2 ASP 2 2HB ASP 2 -10.973 8.134 13.778 15 HB3 ASP 2 1HB ASP 2 -11.311 9.641 12.929 16 H GLU 3 H GLU 3 -12.765 9.494 10.723 17 HA GLU 3 HA GLU 3 -12.637 7.424 8.825 18 HB2 GLU 3 2HB GLU 3 -11.518 10.169 8.326 19 HB3 GLU 3 1HB GLU 3 -12.356 9.107 7.207 20 HG2 GLU 3 2HG GLU 3 -13.946 10.703 7.604 21 HG3 GLU 3 1HG GLU 3 -14.381 9.482 8.798 22 H LEU 4 H LEU 4 -10.121 9.563 10.114 23 HA LEU 4 HA LEU 4 -8.022 8.680 8.500 24 HB2 LEU 4 2HB LEU 4 -8.010 10.758 9.826 25 HB3 LEU 4 1HB LEU 4 -7.867 9.811 11.294 26 HG LEU 4 HG LEU 4 -5.674 8.976 10.531 27 HD11 LEU 4 1HD1 LEU 4 -4.582 10.016 8.614 28 HD12 LEU 4 2HD1 LEU 4 -6.061 10.904 8.244 29 HD13 LEU 4 3HD1 LEU 4 -6.035 9.143 8.124 30 HD21 LEU 4 3HD2 LEU 4 -5.941 11.979 10.551 31 HD22 LEU 4 1HD2 LEU 4 -4.457 11.071 10.844 32 HD23 LEU 4 2HD2 LEU 4 -5.811 10.938 11.969 33 H ARG 5 H ARG 5 -9.263 7.373 11.499 34 HA ARG 5 HA ARG 5 -7.110 5.750 12.231 35 HB2 ARG 5 2HB ARG 5 -10.080 5.594 12.692 36 HB3 ARG 5 1HB ARG 5 -8.974 4.419 13.369 37 HG2 ARG 5 2HG ARG 5 -8.514 7.325 13.840 38 HG3 ARG 5 1HG ARG 5 -9.719 6.448 14.789 39 HD2 ARG 5 2HD ARG 5 -6.856 5.562 14.490 40 HD3 ARG 5 1HD ARG 5 -7.432 6.569 15.818 41 HE ARG 5 HE ARG 5 -9.058 4.594 16.168 42 HH11 ARG 5 1HH1 ARG 5 -5.733 4.293 15.075 43 HH12 ARG 5 2HH1 ARG 5 -5.527 2.720 15.799 44 HH21 ARG 5 1HH2 ARG 5 -8.771 2.535 17.098 45 HH22 ARG 5 2HH2 ARG 5 -7.235 1.730 16.936 46 H GLU 6 H GLU 6 -9.903 5.137 10.152 47 HA GLU 6 HA GLU 6 -9.236 2.409 9.660 48 HB2 GLU 6 2HB GLU 6 -11.539 3.298 9.483 49 HB3 GLU 6 1HB GLU 6 -11.048 4.246 8.087 50 HG2 GLU 6 2HG GLU 6 -10.673 2.291 6.793 51 HG3 GLU 6 1HG GLU 6 -10.861 1.251 8.205 52 H LEU 7 H LEU 7 -8.648 5.462 8.022 53 HA LEU 7 HA LEU 7 -7.562 4.485 5.637 54 HB2 LEU 7 2HB LEU 7 -7.480 7.020 7.155 55 HB3 LEU 7 1HB LEU 7 -6.195 6.776 5.996 56 HG LEU 7 HG LEU 7 -7.866 6.480 4.208 57 HD11 LEU 7 1HD1 LEU 7 -10.206 7.075 4.639 58 HD12 LEU 7 2HD1 LEU 7 -9.860 7.138 6.368 59 HD13 LEU 7 3HD1 LEU 7 -9.718 5.614 5.492 60 HD21 LEU 7 3HD2 LEU 7 -6.911 8.668 4.589 61 HD22 LEU 7 1HD2 LEU 7 -8.133 9.017 5.810 62 HD23 LEU 7 2HD2 LEU 7 -8.605 8.822 4.123 63 H LEU 8 H LEU 8 -6.058 5.192 8.767 64 HA LEU 8 HA LEU 8 -3.401 4.617 7.929 65 HB2 LEU 8 2HB LEU 8 -4.043 5.945 9.948 66 HB3 LEU 8 1HB LEU 8 -4.552 4.456 10.712 67 HG LEU 8 HG LEU 8 -2.243 3.596 10.558 68 HD11 LEU 8 1HD1 LEU 8 -0.422 5.108 9.983 69 HD12 LEU 8 2HD1 LEU 8 -1.585 6.361 9.552 70 HD13 LEU 8 3HD1 LEU 8 -1.505 4.870 8.612 71 HD21 LEU 8 3HD2 LEU 8 -2.510 6.262 11.938 72 HD22 LEU 8 1HD2 LEU 8 -1.280 5.045 12.281 73 HD23 LEU 8 2HD2 LEU 8 -2.980 4.693 12.595 74 H LYS 9 H LYS 9 -5.892 2.755 9.598 75 HA LYS 9 HA LYS 9 -4.436 0.424 10.063 76 HB2 LYS 9 2HB LYS 9 -6.627 0.863 11.079 77 HB3 LYS 9 1HB LYS 9 -7.396 0.688 9.507 78 HG2 LYS 9 2HG LYS 9 -7.671 -1.316 10.852 79 HG3 LYS 9 1HG LYS 9 -6.703 -1.646 9.413 80 HD2 LYS 9 2HD LYS 9 -4.665 -1.263 10.905 81 HD3 LYS 9 1HD LYS 9 -5.783 -1.373 12.266 82 HE2 LYS 9 2HE LYS 9 -4.698 -3.518 11.809 83 HE3 LYS 9 1HE LYS 9 -6.443 -3.608 11.565 84 HZ1 LYS 9 3HZ LYS 9 -6.214 -3.768 9.303 85 HZ2 LYS 9 1HZ LYS 9 -4.832 -4.612 9.814 86 HZ3 LYS 9 2HZ LYS 9 -4.696 -3.012 9.279 87 H ALA 10 H ALA 10 -6.177 1.478 7.189 88 HA ALA 10 HA ALA 10 -6.020 -0.929 5.732 89 HB1 ALA 10 1HB ALA 10 -7.479 0.929 5.082 90 HB2 ALA 10 2HB ALA 10 -6.424 0.439 3.756 91 HB3 ALA 10 3HB ALA 10 -6.060 1.899 4.678 92 H GLU 11 H GLU 11 -3.856 1.879 5.875 93 HA GLU 11 HA GLU 11 -1.950 0.957 4.018 94 HB2 GLU 11 2HB GLU 11 -2.154 3.303 4.881 95 HB3 GLU 11 1HB GLU 11 -1.473 2.755 6.407 96 HG2 GLU 11 2HG GLU 11 0.301 3.736 5.238 97 HG3 GLU 11 1HG GLU 11 0.542 1.998 5.082 98 H GLN 12 H GLN 12 -2.183 0.653 7.539 99 HA GLN 12 HA GLN 12 0.226 -0.691 8.016 100 HB2 GLN 12 2HB GLN 12 -2.417 -0.924 9.471 101 HB3 GLN 12 1HB GLN 12 -0.884 -1.531 10.078 102 HG2 GLN 12 2HG GLN 12 0.001 0.722 10.188 103 HG3 GLN 12 1HG GLN 12 -1.483 1.359 9.479 104 HE21 GLN 12 1HE2 GLN 12 -0.239 1.961 12.061 105 HE22 GLN 12 2HE2 GLN 12 -1.436 1.589 13.262 106 H GLN 13 H GLN 13 -2.854 -1.853 6.835 107 HA GLN 13 HA GLN 13 -2.437 -4.612 7.301 108 HB2 GLN 13 2HB GLN 13 -4.645 -3.532 6.830 109 HB3 GLN 13 1HB GLN 13 -4.139 -3.341 5.158 110 HG2 GLN 13 2HG GLN 13 -3.900 -5.790 4.987 111 HG3 GLN 13 1HG GLN 13 -4.529 -5.935 6.628 112 HE21 GLN 13 1HE2 GLN 13 -5.283 -5.235 3.321 113 HE22 GLN 13 2HE2 GLN 13 -7.004 -5.265 3.490 114 H GLY 14 H GLY 14 -1.859 -2.522 4.524 115 HA2 GLY 14 2HA GLY 14 -0.943 -4.560 2.779 116 HA3 GLY 14 1HA GLY 14 -0.635 -2.844 2.599 117 H ILE 15 H ILE 15 0.714 -2.409 5.032 118 HA ILE 15 HA ILE 15 3.354 -3.081 4.376 119 HB ILE 15 HB ILE 15 2.250 -2.294 7.080 120 HG12 ILE 15 2HG1 ILE 15 3.524 -0.620 4.903 121 HG13 ILE 15 1HG1 ILE 15 1.800 -0.671 5.260 122 HG21 ILE 15 1HG2 ILE 15 5.083 -2.234 6.041 123 HG22 ILE 15 2HG2 ILE 15 4.451 -3.318 7.280 124 HG23 ILE 15 3HG2 ILE 15 4.544 -1.584 7.589 125 HD11 ILE 15 3HD1 ILE 15 2.834 1.305 6.212 126 HD12 ILE 15 1HD1 ILE 15 3.962 0.295 7.118 127 HD13 ILE 15 2HD1 ILE 15 2.238 0.237 7.484 128 H LYS 16 H LYS 16 1.082 -4.576 6.653 129 HA LYS 16 HA LYS 16 2.765 -6.545 7.722 130 HB2 LYS 16 2HB LYS 16 0.480 -6.059 8.546 131 HB3 LYS 16 1HB LYS 16 -0.186 -6.758 7.084 132 HG2 LYS 16 2HG LYS 16 0.877 -8.918 7.690 133 HG3 LYS 16 1HG LYS 16 1.372 -8.193 9.221 134 HD2 LYS 16 2HD LYS 16 -0.924 -7.843 9.855 135 HD3 LYS 16 1HD LYS 16 -1.484 -8.387 8.272 136 HE2 LYS 16 2HE LYS 16 -0.546 -10.612 8.720 137 HE3 LYS 16 1HE LYS 16 -0.013 -10.063 10.306 138 HZ1 LYS 16 3HZ LYS 16 -2.844 -10.088 9.412 139 HZ2 LYS 16 1HZ LYS 16 -2.270 -9.733 10.967 140 HZ3 LYS 16 2HZ LYS 16 -2.131 -11.308 10.344 141 H ILE 17 H ILE 17 0.640 -6.610 4.920 142 HA ILE 17 HA ILE 17 1.212 -9.206 4.029 143 HB ILE 17 HB ILE 17 0.374 -6.772 2.428 144 HG12 ILE 17 2HG1 ILE 17 -1.221 -9.074 3.583 145 HG13 ILE 17 1HG1 ILE 17 -1.189 -7.431 4.211 146 HG21 ILE 17 1HG2 ILE 17 1.370 -8.442 0.963 147 HG22 ILE 17 2HG2 ILE 17 -0.376 -8.371 0.722 148 HG23 ILE 17 3HG2 ILE 17 0.330 -9.691 1.651 149 HD11 ILE 17 3HD1 ILE 17 -2.233 -8.273 1.518 150 HD12 ILE 17 1HD1 ILE 17 -2.197 -6.624 2.147 151 HD13 ILE 17 2HD1 ILE 17 -3.201 -7.843 2.930 152 H LEU 18 H LEU 18 2.712 -6.097 3.147 153 HA LEU 18 HA LEU 18 4.536 -7.084 1.275 154 HB2 LEU 18 2HB LEU 18 4.774 -4.735 3.148 155 HB3 LEU 18 1HB LEU 18 5.890 -5.057 1.836 156 HG LEU 18 HG LEU 18 2.942 -4.480 1.520 157 HD11 LEU 18 1HD1 LEU 18 4.187 -2.516 2.239 158 HD12 LEU 18 2HD1 LEU 18 3.686 -2.361 0.555 159 HD13 LEU 18 3HD1 LEU 18 5.357 -2.772 0.944 160 HD21 LEU 18 3HD2 LEU 18 5.112 -4.845 -0.540 161 HD22 LEU 18 1HD2 LEU 18 3.451 -4.353 -0.869 162 HD23 LEU 18 2HD2 LEU 18 3.784 -5.960 -0.223 163 H LYS 19 H LYS 19 4.790 -6.836 4.794 164 HA LYS 19 HA LYS 19 7.456 -7.656 5.037 165 HB2 LYS 19 2HB LYS 19 5.079 -7.580 6.824 166 HB3 LYS 19 1HB LYS 19 6.513 -8.435 7.345 167 HG2 LYS 19 2HG LYS 19 6.525 -5.577 6.429 168 HG3 LYS 19 1HG LYS 19 6.369 -6.078 8.109 169 HD2 LYS 19 2HD LYS 19 8.689 -6.793 6.319 170 HD3 LYS 19 1HD LYS 19 8.689 -5.458 7.475 171 HE2 LYS 19 2HE LYS 19 8.256 -7.071 9.290 172 HE3 LYS 19 1HE LYS 19 8.348 -8.386 8.119 173 HZ1 LYS 19 3HZ LYS 19 10.635 -7.879 7.704 174 HZ2 LYS 19 1HZ LYS 19 10.425 -8.008 9.383 175 HZ3 LYS 19 2HZ LYS 19 10.562 -6.481 8.664 176 H GLU 20 H GLU 20 4.413 -9.512 5.116 177 HA GLU 20 HA GLU 20 5.484 -12.045 5.548 178 HB2 GLU 20 2HB GLU 20 3.005 -10.964 5.194 179 HB3 GLU 20 1HB GLU 20 3.203 -11.852 3.694 180 HG2 GLU 20 2HG GLU 20 3.544 -13.063 6.418 181 HG3 GLU 20 1HG GLU 20 2.042 -13.060 5.506 182 H VAL 21 H VAL 21 4.808 -10.320 2.526 183 HA VAL 21 HA VAL 21 5.638 -12.429 0.827 184 HB VAL 21 HB VAL 21 5.420 -9.482 0.198 185 HG11 VAL 21 1HG1 VAL 21 6.740 -10.639 -1.471 186 HG12 VAL 21 2HG1 VAL 21 5.156 -10.237 -2.132 187 HG13 VAL 21 3HG1 VAL 21 5.504 -11.887 -1.621 188 HG21 VAL 21 3HG2 VAL 21 3.318 -10.320 1.020 189 HG22 VAL 21 1HG2 VAL 21 3.417 -11.718 -0.050 190 HG23 VAL 21 2HG2 VAL 21 3.209 -10.104 -0.727 191 H LEU 22 H LEU 22 7.301 -9.564 2.096 192 HA LEU 22 HA LEU 22 9.675 -9.808 0.613 193 HB2 LEU 22 2HB LEU 22 9.033 -7.842 2.000 194 HB3 LEU 22 1HB LEU 22 9.375 -8.785 3.438 195 HG LEU 22 HG LEU 22 11.738 -8.996 2.687 196 HD11 LEU 22 1HD1 LEU 22 11.391 -8.681 0.297 197 HD12 LEU 22 2HD1 LEU 22 12.555 -7.515 0.928 198 HD13 LEU 22 3HD1 LEU 22 10.901 -7.010 0.578 199 HD21 LEU 22 3HD2 LEU 22 12.358 -6.679 3.225 200 HD22 LEU 22 1HD2 LEU 22 11.112 -7.307 4.308 201 HD23 LEU 22 2HD2 LEU 22 10.676 -6.193 3.012 202 H LYS 23 H LYS 23 8.707 -11.200 3.712 203 HA LYS 23 HA LYS 23 11.116 -12.603 4.228 204 HB2 LYS 23 2HB LYS 23 9.231 -12.129 5.846 205 HB3 LYS 23 1HB LYS 23 8.332 -13.409 5.064 206 HG2 LYS 23 2HG LYS 23 10.097 -15.004 5.656 207 HG3 LYS 23 1HG LYS 23 10.962 -13.713 6.493 208 HD2 LYS 23 2HD LYS 23 9.162 -13.450 8.063 209 HD3 LYS 23 1HD LYS 23 8.156 -14.586 7.164 210 HE2 LYS 23 2HE LYS 23 10.745 -15.234 8.567 211 HE3 LYS 23 1HE LYS 23 9.127 -15.632 9.144 212 HZ1 LYS 23 3HZ LYS 23 8.833 -16.977 7.105 213 HZ2 LYS 23 1HZ LYS 23 10.086 -17.544 8.099 214 HZ3 LYS 23 2HZ LYS 23 10.449 -16.668 6.698 215 H LYS 24 H LYS 24 8.037 -13.544 2.855 216 HA LYS 24 HA LYS 24 8.606 -16.221 2.275 217 HB2 LYS 24 2HB LYS 24 6.361 -15.005 2.275 218 HB3 LYS 24 1HB LYS 24 6.768 -14.470 0.651 219 HG2 LYS 24 2HG LYS 24 5.323 -16.394 0.550 220 HG3 LYS 24 1HG LYS 24 6.919 -16.811 -0.072 221 HD2 LYS 24 2HD LYS 24 6.006 -18.579 1.364 222 HD3 LYS 24 1HD LYS 24 7.484 -17.891 2.034 223 HE2 LYS 24 2HE LYS 24 5.838 -18.233 3.783 224 HE3 LYS 24 1HE LYS 24 6.147 -16.516 3.557 225 HZ1 LYS 24 3HZ LYS 24 3.834 -17.903 2.312 226 HZ2 LYS 24 1HZ LYS 24 4.090 -16.234 2.476 227 HZ3 LYS 24 2HZ LYS 24 3.766 -17.178 3.841 228 H ALA 25 H ALA 25 9.547 -13.326 0.600 229 HA ALA 25 HA ALA 25 10.167 -14.420 -1.923 230 HB1 ALA 25 1HB ALA 25 11.490 -12.110 -0.499 231 HB2 ALA 25 2HB ALA 25 10.049 -12.010 -1.510 232 HB3 ALA 25 3HB ALA 25 11.596 -12.464 -2.222 233 H LYS 26 H LYS 26 11.811 -14.534 1.142 234 HA LYS 26 HA LYS 26 14.324 -15.454 0.180 235 HB2 LYS 26 2HB LYS 26 12.952 -15.553 2.853 236 HB3 LYS 26 1HB LYS 26 14.471 -16.403 2.592 237 HG2 LYS 26 2HG LYS 26 14.098 -13.464 2.059 238 HG3 LYS 26 1HG LYS 26 14.672 -14.119 3.596 239 HD2 LYS 26 2HD LYS 26 16.576 -15.134 2.493 240 HD3 LYS 26 1HD LYS 26 15.979 -14.605 0.919 241 HE2 LYS 26 2HE LYS 26 16.703 -12.729 3.162 242 HE3 LYS 26 1HE LYS 26 17.818 -13.203 1.881 243 HZ1 LYS 26 3HZ LYS 26 15.241 -11.760 1.529 244 HZ2 LYS 26 1HZ LYS 26 16.241 -12.287 0.261 245 HZ3 LYS 26 2HZ LYS 26 16.798 -11.109 1.350 246 H GLU 27 H GLU 27 11.271 -16.974 0.844 247 HA GLU 27 HA GLU 27 12.214 -19.664 0.739 248 HB2 GLU 27 2HB GLU 27 10.023 -18.947 1.746 249 HB3 GLU 27 1HB GLU 27 9.439 -18.631 0.119 250 HG2 GLU 27 2HG GLU 27 8.660 -20.780 0.928 251 HG3 GLU 27 1HG GLU 27 9.738 -20.978 -0.455 252 H GLY 28 H GLY 28 10.695 -17.449 -1.580 253 HA2 GLY 28 2HA GLY 28 11.072 -17.243 -3.851 254 HA3 GLY 28 1HA GLY 28 12.260 -18.530 -3.728 255 H ASP 29 H ASP 29 9.076 -19.124 -2.513 256 HA ASP 29 HA ASP 29 8.708 -21.197 -4.470 257 HB2 ASP 29 2HB ASP 29 7.992 -21.504 -2.120 258 HB3 ASP 29 1HB ASP 29 6.771 -20.255 -2.350 259 H GLU 30 H GLU 30 7.805 -20.976 -6.344 260 HA GLU 30 HA GLU 30 6.937 -18.480 -7.306 261 HB2 GLU 30 2HB GLU 30 6.753 -21.249 -8.486 262 HB3 GLU 30 1HB GLU 30 6.353 -19.782 -9.367 263 HG2 GLU 30 2HG GLU 30 8.553 -19.040 -9.395 264 HG3 GLU 30 1HG GLU 30 9.023 -20.101 -8.065 265 H GLN 31 H GLN 31 5.154 -21.305 -6.190 266 HA GLN 31 HA GLN 31 2.642 -20.437 -7.226 267 HB2 GLN 31 2HB GLN 31 3.241 -22.430 -5.039 268 HB3 GLN 31 1HB GLN 31 1.685 -22.218 -5.830 269 HG2 GLN 31 2HG GLN 31 2.805 -22.806 -7.987 270 HG3 GLN 31 1HG GLN 31 4.246 -23.209 -7.055 271 HE21 GLN 31 1HE2 GLN 31 4.221 -25.363 -7.628 272 HE22 GLN 31 2HE2 GLN 31 3.022 -26.474 -7.040 273 H GLU 32 H GLU 32 4.182 -20.337 -4.038 274 HA GLU 32 HA GLU 32 2.062 -19.074 -2.680 275 HB2 GLU 32 2HB GLU 32 3.920 -20.180 -1.525 276 HB3 GLU 32 1HB GLU 32 5.036 -18.965 -2.134 277 HG2 GLU 32 2HG GLU 32 4.580 -18.376 0.089 278 HG3 GLU 32 1HG GLU 32 3.663 -17.252 -0.910 279 H LEU 33 H LEU 33 4.970 -17.721 -4.225 280 HA LEU 33 HA LEU 33 4.457 -15.037 -3.561 281 HB2 LEU 33 2HB LEU 33 6.033 -16.225 -5.843 282 HB3 LEU 33 1HB LEU 33 6.011 -14.515 -5.459 283 HG LEU 33 HG LEU 33 7.030 -16.710 -3.651 284 HD11 LEU 33 1HD1 LEU 33 9.220 -15.662 -4.047 285 HD12 LEU 33 2HD1 LEU 33 8.475 -14.586 -5.231 286 HD13 LEU 33 3HD1 LEU 33 8.514 -16.326 -5.519 287 HD21 LEU 33 3HD2 LEU 33 7.809 -14.872 -2.226 288 HD22 LEU 33 1HD2 LEU 33 6.051 -14.890 -2.370 289 HD23 LEU 33 2HD2 LEU 33 6.998 -13.717 -3.283 290 H ALA 34 H ALA 34 3.438 -16.995 -6.310 291 HA ALA 34 HA ALA 34 2.389 -14.973 -7.928 292 HB1 ALA 34 1HB ALA 34 1.042 -16.698 -8.971 293 HB2 ALA 34 2HB ALA 34 1.324 -17.776 -7.603 294 HB3 ALA 34 3HB ALA 34 2.665 -17.308 -8.649 295 H ARG 35 H ARG 35 0.795 -16.886 -5.375 296 HA ARG 35 HA ARG 35 -1.694 -15.551 -5.550 297 HB2 ARG 35 2HB ARG 35 -1.468 -17.714 -4.398 298 HB3 ARG 35 1HB ARG 35 -0.471 -16.953 -3.165 299 HG2 ARG 35 2HG ARG 35 -2.401 -15.428 -2.680 300 HG3 ARG 35 1HG ARG 35 -3.377 -16.442 -3.738 301 HD2 ARG 35 2HD ARG 35 -3.086 -18.332 -2.303 302 HD3 ARG 35 1HD ARG 35 -1.898 -17.467 -1.322 303 HE ARG 35 HE ARG 35 -3.931 -15.875 -0.949 304 HH11 ARG 35 1HH1 ARG 35 -3.987 -19.379 -1.075 305 HH12 ARG 35 2HH1 ARG 35 -5.408 -19.510 -0.089 306 HH21 ARG 35 1HH2 ARG 35 -5.790 -16.052 0.338 307 HH22 ARG 35 2HH2 ARG 35 -6.437 -17.626 0.705 308 H LEU 36 H LEU 36 1.120 -15.118 -3.462 309 HA LEU 36 HA LEU 36 0.050 -13.165 -1.786 310 HB2 LEU 36 2HB LEU 36 2.904 -13.663 -2.607 311 HB3 LEU 36 1HB LEU 36 2.440 -12.528 -1.355 312 HG LEU 36 HG LEU 36 2.025 -15.515 -1.317 313 HD11 LEU 36 1HD1 LEU 36 3.737 -13.697 0.365 314 HD12 LEU 36 2HD1 LEU 36 4.311 -14.807 -0.881 315 HD13 LEU 36 3HD1 LEU 36 3.552 -15.437 0.582 316 HD21 LEU 36 3HD2 LEU 36 1.123 -15.179 0.938 317 HD22 LEU 36 1HD2 LEU 36 0.125 -14.391 -0.283 318 HD23 LEU 36 2HD2 LEU 36 1.219 -13.433 0.714 319 H ASN 37 H ASN 37 1.607 -12.827 -4.938 320 HA ASN 37 HA ASN 37 1.813 -10.029 -4.970 321 HB2 ASN 37 2HB ASN 37 2.751 -11.596 -6.711 322 HB3 ASN 37 1HB ASN 37 1.116 -11.759 -7.347 323 HD21 ASN 37 1HD2 ASN 37 1.390 -10.779 -9.289 324 HD22 ASN 37 2HD2 ASN 37 1.806 -9.111 -9.476 325 H GLN 38 H GLN 38 -0.827 -12.168 -6.022 326 HA GLN 38 HA GLN 38 -2.648 -10.212 -6.811 327 HB2 GLN 38 2HB GLN 38 -2.539 -12.931 -6.778 328 HB3 GLN 38 1HB GLN 38 -3.722 -12.633 -5.517 329 HG2 GLN 38 2HG GLN 38 -3.975 -11.341 -8.195 330 HG3 GLN 38 1HG GLN 38 -4.504 -12.993 -7.913 331 HE21 GLN 38 1HE2 GLN 38 -6.045 -10.606 -8.612 332 HE22 GLN 38 2HE2 GLN 38 -7.241 -10.437 -7.367 333 H GLU 39 H GLU 39 -2.053 -11.695 -3.652 334 HA GLU 39 HA GLU 39 -4.145 -10.531 -2.221 335 HB2 GLU 39 2HB GLU 39 -1.368 -11.221 -1.235 336 HB3 GLU 39 1HB GLU 39 -2.799 -11.016 -0.246 337 HG2 GLU 39 2HG GLU 39 -2.579 -13.120 -2.371 338 HG3 GLU 39 1HG GLU 39 -2.086 -13.386 -0.702 339 H ILE 40 H ILE 40 -0.885 -9.351 -2.956 340 HA ILE 40 HA ILE 40 -1.041 -6.941 -1.479 341 HB ILE 40 HB ILE 40 0.588 -7.531 -3.957 342 HG12 ILE 40 2HG1 ILE 40 1.372 -7.659 -1.035 343 HG13 ILE 40 1HG1 ILE 40 1.051 -9.058 -2.054 344 HG21 ILE 40 1HG2 ILE 40 0.887 -5.341 -1.903 345 HG22 ILE 40 2HG2 ILE 40 0.361 -5.138 -3.576 346 HG23 ILE 40 3HG2 ILE 40 2.007 -5.670 -3.227 347 HD11 ILE 40 3HD1 ILE 40 3.246 -7.044 -2.488 348 HD12 ILE 40 1HD1 ILE 40 2.941 -8.479 -3.466 349 HD13 ILE 40 2HD1 ILE 40 3.442 -8.647 -1.784 350 H VAL 41 H VAL 41 -1.634 -7.673 -4.910 351 HA VAL 41 HA VAL 41 -2.357 -5.118 -5.762 352 HB VAL 41 HB VAL 41 -3.500 -7.738 -6.761 353 HG11 VAL 41 1HG1 VAL 41 -3.317 -5.039 -8.091 354 HG12 VAL 41 2HG1 VAL 41 -4.791 -5.812 -7.505 355 HG13 VAL 41 3HG1 VAL 41 -3.895 -6.519 -8.851 356 HG21 VAL 41 3HG2 VAL 41 -1.066 -6.203 -7.668 357 HG22 VAL 41 1HG2 VAL 41 -1.736 -7.620 -8.476 358 HG23 VAL 41 2HG2 VAL 41 -1.071 -7.764 -6.847 359 H LYS 42 H LYS 42 -4.318 -7.697 -4.367 360 HA LYS 42 HA LYS 42 -6.820 -6.445 -4.575 361 HB2 LYS 42 2HB LYS 42 -6.595 -8.817 -4.111 362 HB3 LYS 42 1HB LYS 42 -5.792 -8.476 -2.587 363 HG2 LYS 42 2HG LYS 42 -7.858 -7.444 -1.748 364 HG3 LYS 42 1HG LYS 42 -8.656 -7.848 -3.271 365 HD2 LYS 42 2HD LYS 42 -8.289 -10.210 -2.869 366 HD3 LYS 42 1HD LYS 42 -7.400 -9.846 -1.390 367 HE2 LYS 42 2HE LYS 42 -9.428 -8.848 -0.435 368 HE3 LYS 42 1HE LYS 42 -10.309 -9.242 -1.910 369 HZ1 LYS 42 3HZ LYS 42 -9.972 -11.566 -1.499 370 HZ2 LYS 42 1HZ LYS 42 -10.654 -10.860 -0.112 371 HZ3 LYS 42 2HZ LYS 42 -9.001 -11.243 -0.148 372 H ALA 43 H ALA 43 -4.429 -6.443 -1.950 373 HA ALA 43 HA ALA 43 -5.988 -4.968 -0.110 374 HB1 ALA 43 1HB ALA 43 -3.931 -4.664 1.133 375 HB2 ALA 43 2HB ALA 43 -2.981 -5.154 -0.270 376 HB3 ALA 43 3HB ALA 43 -4.034 -6.319 0.535 377 H GLU 44 H GLU 44 -3.415 -3.966 -2.356 378 HA GLU 44 HA GLU 44 -3.475 -1.224 -1.744 379 HB2 GLU 44 2HB GLU 44 -2.701 -2.681 -4.273 380 HB3 GLU 44 1HB GLU 44 -2.486 -0.951 -4.056 381 HG2 GLU 44 2HG GLU 44 -1.273 -3.012 -2.234 382 HG3 GLU 44 1HG GLU 44 -0.456 -2.356 -3.652 383 H LYS 45 H LYS 45 -5.154 -3.088 -4.253 384 HA LYS 45 HA LYS 45 -6.434 -0.951 -5.525 385 HB2 LYS 45 2HB LYS 45 -6.247 -3.325 -6.345 386 HB3 LYS 45 1HB LYS 45 -7.526 -3.753 -5.220 387 HG2 LYS 45 2HG LYS 45 -9.015 -2.150 -6.376 388 HG3 LYS 45 1HG LYS 45 -7.732 -1.868 -7.555 389 HD2 LYS 45 2HD LYS 45 -9.072 -4.513 -6.979 390 HD3 LYS 45 1HD LYS 45 -9.349 -3.494 -8.393 391 HE2 LYS 45 2HE LYS 45 -7.043 -3.801 -9.096 392 HE3 LYS 45 1HE LYS 45 -6.709 -4.754 -7.651 393 HZ1 LYS 45 3HZ LYS 45 -8.371 -6.371 -8.423 394 HZ2 LYS 45 1HZ LYS 45 -7.077 -6.208 -9.509 395 HZ3 LYS 45 2HZ LYS 45 -8.567 -5.481 -9.850 396 H GLN 46 H GLN 46 -7.478 -2.971 -2.807 397 HA GLN 46 HA GLN 46 -10.038 -1.772 -2.547 398 HB2 GLN 46 2HB GLN 46 -9.163 -4.013 -1.586 399 HB3 GLN 46 1HB GLN 46 -8.535 -3.030 -0.270 400 HG2 GLN 46 2HG GLN 46 -10.656 -3.920 0.376 401 HG3 GLN 46 1HG GLN 46 -10.818 -2.180 0.137 402 HE21 GLN 46 1HE2 GLN 46 -13.047 -2.315 -0.212 403 HE22 GLN 46 2HE2 GLN 46 -13.706 -2.979 -1.668 404 H GLY 47 H GLY 47 -6.909 -1.216 -0.964 405 HA2 GLY 47 2HA GLY 47 -7.778 0.634 0.959 406 HA3 GLY 47 1HA GLY 47 -6.136 0.496 0.348 407 H VAL 48 H VAL 48 -6.436 1.214 -2.289 408 HA VAL 48 HA VAL 48 -6.470 4.022 -2.127 409 HB VAL 48 HB VAL 48 -6.829 2.406 -4.657 410 HG11 VAL 48 1HG1 VAL 48 -5.716 5.166 -4.165 411 HG12 VAL 48 2HG1 VAL 48 -7.257 4.785 -4.930 412 HG13 VAL 48 3HG1 VAL 48 -5.747 4.336 -5.720 413 HG21 VAL 48 3HG2 VAL 48 -4.275 3.267 -3.305 414 HG22 VAL 48 1HG2 VAL 48 -4.403 2.471 -4.872 415 HG23 VAL 48 2HG2 VAL 48 -4.883 1.614 -3.407 416 H LYS 49 H LYS 49 -8.924 1.700 -3.054 417 HA LYS 49 HA LYS 49 -10.864 3.457 -4.076 418 HB2 LYS 49 2HB LYS 49 -10.790 0.871 -4.034 419 HB3 LYS 49 1HB LYS 49 -11.490 1.007 -2.430 420 HG2 LYS 49 2HG LYS 49 -13.382 2.273 -3.439 421 HG3 LYS 49 1HG LYS 49 -12.700 1.918 -5.028 422 HD2 LYS 49 2HD LYS 49 -12.773 -0.528 -4.343 423 HD3 LYS 49 1HD LYS 49 -13.773 -0.013 -2.986 424 HE2 LYS 49 2HE LYS 49 -15.274 -0.694 -4.671 425 HE3 LYS 49 1HE LYS 49 -15.298 1.069 -4.690 426 HZ1 LYS 49 3HZ LYS 49 -13.838 1.061 -6.597 427 HZ2 LYS 49 1HZ LYS 49 -15.202 0.106 -6.923 428 HZ3 LYS 49 2HZ LYS 49 -13.726 -0.635 -6.552 429 H VAL 50 H VAL 50 -10.089 2.450 -0.781 430 HA VAL 50 HA VAL 50 -12.218 3.853 0.483 431 HB VAL 50 HB VAL 50 -9.581 2.929 1.647 432 HG11 VAL 50 1HG1 VAL 50 -10.731 3.048 3.811 433 HG12 VAL 50 2HG1 VAL 50 -12.147 3.735 3.016 434 HG13 VAL 50 3HG1 VAL 50 -10.628 4.629 3.037 435 HG21 VAL 50 3HG2 VAL 50 -10.861 1.089 0.697 436 HG22 VAL 50 1HG2 VAL 50 -12.289 1.593 1.604 437 HG23 VAL 50 2HG2 VAL 50 -10.864 1.000 2.458 438 H TYR 51 H TYR 51 -8.818 4.628 -0.178 439 HA TYR 51 HA TYR 51 -8.776 7.124 1.124 440 HB2 TYR 51 2HB TYR 51 -7.146 6.063 -1.185 441 HB3 TYR 51 1HB TYR 51 -6.859 7.639 -0.460 442 HD1 TYR 51 1HD TYR 51 -6.759 7.459 2.264 443 HD2 TYR 51 2HD TYR 51 -5.723 4.396 -0.500 444 HE1 TYR 51 1HE TYR 51 -5.308 6.428 3.958 445 HE2 TYR 51 2HE TYR 51 -4.275 3.352 1.190 446 HH TYR 51 HH TYR 51 -4.361 4.207 4.469 447 H LYS 52 H LYS 52 -9.651 6.217 -2.181 448 HA LYS 52 HA LYS 52 -10.070 8.807 -3.186 449 HB2 LYS 52 2HB LYS 52 -10.996 6.080 -3.933 450 HB3 LYS 52 1HB LYS 52 -11.852 7.442 -4.636 451 HG2 LYS 52 2HG LYS 52 -9.556 8.306 -5.335 452 HG3 LYS 52 1HG LYS 52 -8.962 6.696 -4.928 453 HD2 LYS 52 2HD LYS 52 -11.231 7.189 -6.848 454 HD3 LYS 52 1HD LYS 52 -9.547 7.055 -7.351 455 HE2 LYS 52 2HE LYS 52 -11.032 4.928 -5.820 456 HE3 LYS 52 1HE LYS 52 -10.860 4.949 -7.574 457 HZ1 LYS 52 3HZ LYS 52 -8.669 4.752 -5.583 458 HZ2 LYS 52 1HZ LYS 52 -8.430 4.913 -7.252 459 HZ3 LYS 52 2HZ LYS 52 -9.196 3.531 -6.631 460 H GLU 53 H GLU 53 -12.155 6.665 -1.336 461 HA GLU 53 HA GLU 53 -14.515 8.171 -1.452 462 HB2 GLU 53 2HB GLU 53 -13.888 5.760 -0.588 463 HB3 GLU 53 1HB GLU 53 -13.696 6.588 0.946 464 HG2 GLU 53 2HG GLU 53 -16.205 6.800 -0.662 465 HG3 GLU 53 1HG GLU 53 -15.898 5.477 0.456 466 H ALA 54 H ALA 54 -11.824 8.130 0.852 467 HA ALA 54 HA ALA 54 -12.858 10.094 2.609 468 HB1 ALA 54 1HB ALA 54 -11.150 8.481 3.277 469 HB2 ALA 54 2HB ALA 54 -10.616 10.137 3.563 470 HB3 ALA 54 3HB ALA 54 -9.997 9.237 2.177 471 H ALA 55 H ALA 55 -10.959 10.277 -0.318 472 HA ALA 55 HA ALA 55 -9.835 12.800 -0.080 473 HB1 ALA 55 1HB ALA 55 -10.852 11.510 -2.607 474 HB2 ALA 55 2HB ALA 55 -9.284 11.205 -1.858 475 HB3 ALA 55 3HB ALA 55 -9.657 12.804 -2.498 476 H GLU 56 H GLU 56 -13.114 11.929 -1.123 477 HA GLU 56 HA GLU 56 -13.787 14.629 -1.838 478 HB2 GLU 56 2HB GLU 56 -15.565 12.243 -1.317 479 HB3 GLU 56 1HB GLU 56 -16.112 13.783 -1.963 480 HG2 GLU 56 2HG GLU 56 -14.382 13.385 -3.817 481 HG3 GLU 56 1HG GLU 56 -14.378 11.715 -3.248 482 H LYS 57 H LYS 57 -13.672 12.822 1.046 483 HA LYS 57 HA LYS 57 -15.444 14.607 2.501 484 HB2 LYS 57 2HB LYS 57 -14.043 12.046 3.156 485 HB3 LYS 57 1HB LYS 57 -14.781 13.020 4.413 486 HG2 LYS 57 2HG LYS 57 -16.942 12.775 3.430 487 HG3 LYS 57 1HG LYS 57 -16.254 12.013 1.995 488 HD2 LYS 57 2HD LYS 57 -15.544 10.102 3.328 489 HD3 LYS 57 1HD LYS 57 -16.161 10.877 4.790 490 HE2 LYS 57 2HE LYS 57 -18.396 10.692 4.072 491 HE3 LYS 57 1HE LYS 57 -17.918 10.310 2.418 492 HZ1 LYS 57 3HZ LYS 57 -18.664 8.339 3.581 493 HZ2 LYS 57 1HZ LYS 57 -17.500 8.571 4.795 494 HZ3 LYS 57 2HZ LYS 57 -17.016 8.212 3.208 495 H ALA 58 H ALA 58 -12.507 14.983 1.401 496 HA ALA 58 HA ALA 58 -11.038 15.690 3.756 497 HB1 ALA 58 1HB ALA 58 -10.484 16.409 0.875 498 HB2 ALA 58 2HB ALA 58 -9.893 14.971 1.710 499 HB3 ALA 58 3HB ALA 58 -9.361 16.571 2.227 500 H ARG 59 H ARG 59 -11.893 17.251 4.955 501 HA ARG 59 HA ARG 59 -13.168 19.561 3.809 502 HB2 ARG 59 2HB ARG 59 -12.590 18.649 6.612 503 HB3 ARG 59 1HB ARG 59 -13.194 20.270 6.296 504 HG2 ARG 59 2HG ARG 59 -15.268 19.547 5.932 505 HG3 ARG 59 1HG ARG 59 -14.722 18.194 4.940 506 HD2 ARG 59 2HD ARG 59 -14.468 18.187 7.933 507 HD3 ARG 59 1HD ARG 59 -15.938 17.652 7.121 508 HE ARG 59 HE ARG 59 -14.052 16.198 5.876 509 HH11 ARG 59 1HH1 ARG 59 -14.680 16.775 9.274 510 HH12 ARG 59 2HH1 ARG 59 -14.135 15.204 9.769 511 HH21 ARG 59 1HH2 ARG 59 -13.333 14.136 6.530 512 HH22 ARG 59 2HH2 ARG 59 -13.367 13.693 8.214 513 H ASN 60 H ASN 60 -10.011 18.691 4.598 514 HA ASN 60 HA ASN 60 -9.156 21.508 4.684 515 HB2 ASN 60 2HB ASN 60 -7.680 19.122 5.830 516 HB3 ASN 60 1HB ASN 60 -7.203 20.811 5.955 517 HD21 ASN 60 1HD2 ASN 60 -8.271 22.163 7.384 518 HD22 ASN 60 2HD2 ASN 60 -9.309 21.543 8.629 519 HA PRO 61 HA PRO 61 -7.375 20.571 0.689 520 HB2 PRO 61 2HB PRO 61 -5.811 23.026 1.251 521 HB3 PRO 61 1HB PRO 61 -6.855 22.647 -0.123 522 HG2 PRO 61 2HG PRO 61 -7.633 24.377 1.752 523 HG3 PRO 61 1HG PRO 61 -8.784 23.256 1.002 524 HD2 PRO 61 2HD PRO 61 -7.471 23.109 3.688 525 HD3 PRO 61 1HD PRO 61 -9.141 22.716 3.224 526 H GLU 62 H GLU 62 -5.556 21.342 3.582 527 HA GLU 62 HA GLU 62 -2.988 20.640 2.747 528 HB2 GLU 62 2HB GLU 62 -4.233 20.348 5.472 529 HB3 GLU 62 1HB GLU 62 -2.539 20.497 5.110 530 HG2 GLU 62 2HG GLU 62 -2.786 22.763 4.448 531 HG3 GLU 62 1HG GLU 62 -4.546 22.637 4.521 532 H LYS 63 H LYS 63 -5.537 18.806 4.338 533 HA LYS 63 HA LYS 63 -4.026 16.394 4.475 534 HB2 LYS 63 2HB LYS 63 -7.025 16.692 4.706 535 HB3 LYS 63 1HB LYS 63 -6.038 15.375 5.327 536 HG2 LYS 63 2HG LYS 63 -4.902 17.081 6.801 537 HG3 LYS 63 1HG LYS 63 -6.162 18.215 6.311 538 HD2 LYS 63 2HD LYS 63 -7.835 16.481 7.097 539 HD3 LYS 63 1HD LYS 63 -6.473 15.631 7.827 540 HE2 LYS 63 2HE LYS 63 -7.464 18.402 8.468 541 HE3 LYS 63 1HE LYS 63 -7.503 16.985 9.511 542 HZ1 LYS 63 3HZ LYS 63 -5.028 17.006 9.450 543 HZ2 LYS 63 1HZ LYS 63 -5.710 18.371 10.185 544 HZ3 LYS 63 2HZ LYS 63 -5.100 18.482 8.616 545 H ARG 64 H ARG 64 -6.335 17.773 2.217 546 HA ARG 64 HA ARG 64 -6.776 15.490 0.642 547 HB2 ARG 64 2HB ARG 64 -8.129 17.503 0.365 548 HB3 ARG 64 1HB ARG 64 -6.723 18.401 -0.190 549 HG2 ARG 64 2HG ARG 64 -7.508 15.951 -1.686 550 HG3 ARG 64 1HG ARG 64 -8.485 17.406 -1.881 551 HD2 ARG 64 2HD ARG 64 -6.750 18.599 -2.841 552 HD3 ARG 64 1HD ARG 64 -5.509 17.570 -2.128 553 HE ARG 64 HE ARG 64 -6.365 15.829 -3.760 554 HH11 ARG 64 1HH1 ARG 64 -6.530 19.267 -4.411 555 HH12 ARG 64 2HH1 ARG 64 -6.443 19.074 -6.134 556 HH21 ARG 64 1HH2 ARG 64 -6.176 15.566 -6.021 557 HH22 ARG 64 2HH2 ARG 64 -6.250 16.966 -7.058 558 H GLN 65 H GLN 65 -4.200 17.905 0.609 559 HA GLN 65 HA GLN 65 -2.900 17.071 -1.743 560 HB2 GLN 65 2HB GLN 65 -2.550 19.128 -0.097 561 HB3 GLN 65 1HB GLN 65 -1.351 18.069 0.620 562 HG2 GLN 65 2HG GLN 65 -1.394 18.949 -2.254 563 HG3 GLN 65 1HG GLN 65 -0.396 19.650 -0.985 564 HE21 GLN 65 1HE2 GLN 65 1.244 18.358 -0.053 565 HE22 GLN 65 2HE2 GLN 65 1.935 17.030 -0.926 566 H VAL 66 H VAL 66 -2.430 16.111 1.646 567 HA VAL 66 HA VAL 66 -0.375 14.253 1.219 568 HB VAL 66 HB VAL 66 -2.526 14.115 3.345 569 HG11 VAL 66 1HG1 VAL 66 0.232 12.908 3.196 570 HG12 VAL 66 2HG1 VAL 66 -1.306 12.046 3.206 571 HG13 VAL 66 3HG1 VAL 66 -0.779 12.925 4.640 572 HG21 VAL 66 3HG2 VAL 66 -1.441 16.292 3.359 573 HG22 VAL 66 1HG2 VAL 66 0.143 15.518 3.386 574 HG23 VAL 66 2HG2 VAL 66 -0.945 15.345 4.763 575 H ILE 67 H ILE 67 -3.896 13.757 1.432 576 HA ILE 67 HA ILE 67 -3.879 10.994 0.962 577 HB ILE 67 HB ILE 67 -6.053 12.997 0.327 578 HG12 ILE 67 2HG1 ILE 67 -5.665 11.189 2.724 579 HG13 ILE 67 1HG1 ILE 67 -5.364 12.922 2.702 580 HG21 ILE 67 1HG2 ILE 67 -7.585 11.091 0.353 581 HG22 ILE 67 2HG2 ILE 67 -6.222 9.995 0.577 582 HG23 ILE 67 3HG2 ILE 67 -6.373 10.920 -0.918 583 HD11 ILE 67 3HD1 ILE 67 -7.496 12.402 3.742 584 HD12 ILE 67 1HD1 ILE 67 -8.030 11.592 2.269 585 HD13 ILE 67 2HD1 ILE 67 -7.730 13.330 2.260 586 H ASP 68 H ASP 68 -4.173 13.716 -1.287 587 HA ASP 68 HA ASP 68 -4.648 12.244 -3.634 588 HB2 ASP 68 2HB ASP 68 -4.925 14.701 -3.425 589 HB3 ASP 68 1HB ASP 68 -3.175 14.876 -3.341 590 H LYS 69 H LYS 69 -1.594 13.398 -2.204 591 HA LYS 69 HA LYS 69 0.137 12.317 -4.120 592 HB2 LYS 69 2HB LYS 69 0.465 12.773 -1.162 593 HB3 LYS 69 1HB LYS 69 1.760 12.100 -2.141 594 HG2 LYS 69 2HG LYS 69 0.442 14.763 -2.604 595 HG3 LYS 69 1HG LYS 69 1.992 14.512 -1.799 596 HD2 LYS 69 2HD LYS 69 2.836 13.437 -3.870 597 HD3 LYS 69 1HD LYS 69 1.311 13.837 -4.661 598 HE2 LYS 69 2HE LYS 69 3.012 15.474 -5.220 599 HE3 LYS 69 1HE LYS 69 1.737 16.217 -4.256 600 HZ1 LYS 69 3HZ LYS 69 3.157 16.020 -2.304 601 HZ2 LYS 69 1HZ LYS 69 3.926 16.917 -3.521 602 HZ3 LYS 69 2HZ LYS 69 4.378 15.311 -3.237 603 H ILE 70 H ILE 70 -1.168 10.847 -1.170 604 HA ILE 70 HA ILE 70 0.040 8.334 -1.434 605 HB ILE 70 HB ILE 70 -2.635 9.024 -0.203 606 HG12 ILE 70 2HG1 ILE 70 0.088 8.680 1.068 607 HG13 ILE 70 1HG1 ILE 70 -0.700 10.225 0.766 608 HG21 ILE 70 1HG2 ILE 70 -0.934 6.564 0.178 609 HG22 ILE 70 2HG2 ILE 70 -2.465 6.635 -0.694 610 HG23 ILE 70 3HG2 ILE 70 -2.425 6.938 1.044 611 HD11 ILE 70 3HD1 ILE 70 -0.893 9.509 3.094 612 HD12 ILE 70 1HD1 ILE 70 -1.754 8.061 2.571 613 HD13 ILE 70 2HD1 ILE 70 -2.467 9.654 2.315 614 H LEU 71 H LEU 71 -2.984 9.612 -2.715 615 HA LEU 71 HA LEU 71 -4.101 7.295 -3.739 616 HB2 LEU 71 2HB LEU 71 -4.272 10.201 -4.424 617 HB3 LEU 71 1HB LEU 71 -5.111 9.037 -5.409 618 HG LEU 71 HG LEU 71 -5.533 9.430 -2.450 619 HD11 LEU 71 1HD1 LEU 71 -7.225 10.232 -4.816 620 HD12 LEU 71 2HD1 LEU 71 -6.357 11.322 -3.733 621 HD13 LEU 71 3HD1 LEU 71 -7.703 10.359 -3.124 622 HD21 LEU 71 3HD2 LEU 71 -7.436 7.939 -2.743 623 HD22 LEU 71 1HD2 LEU 71 -5.931 7.131 -3.184 624 HD23 LEU 71 2HD2 LEU 71 -7.018 7.720 -4.442 625 H GLU 72 H GLU 72 -1.992 9.648 -5.397 626 HA GLU 72 HA GLU 72 -1.938 8.234 -7.832 627 HB2 GLU 72 2HB GLU 72 -0.122 10.328 -6.634 628 HB3 GLU 72 1HB GLU 72 -0.056 9.787 -8.291 629 HG2 GLU 72 2HG GLU 72 -2.469 11.044 -7.035 630 HG3 GLU 72 1HG GLU 72 -1.263 11.924 -7.972 631 H ASP 73 H ASP 73 0.227 8.310 -5.008 632 HA ASP 73 HA ASP 73 2.236 6.729 -6.243 633 HB2 ASP 73 2HB ASP 73 1.712 7.511 -3.393 634 HB3 ASP 73 1HB ASP 73 2.964 6.336 -3.783 635 H GLU 74 H GLU 74 -0.562 5.899 -4.214 636 HA GLU 74 HA GLU 74 0.158 3.149 -4.017 637 HB2 GLU 74 2HB GLU 74 -2.555 4.453 -3.765 638 HB3 GLU 74 1HB GLU 74 -2.207 2.780 -3.365 639 HG2 GLU 74 2HG GLU 74 -0.901 5.142 -2.037 640 HG3 GLU 74 1HG GLU 74 -2.330 4.322 -1.420 641 H GLU 75 H GLU 75 -1.857 5.001 -6.287 642 HA GLU 75 HA GLU 75 -2.698 2.897 -7.923 643 HB2 GLU 75 2HB GLU 75 -2.101 5.798 -8.426 644 HB3 GLU 75 1HB GLU 75 -2.536 4.755 -9.758 645 HG2 GLU 75 2HG GLU 75 -4.187 5.535 -7.381 646 HG3 GLU 75 1HG GLU 75 -4.513 5.830 -9.087 647 H LYS 76 H LYS 76 0.256 4.769 -7.891 648 HA LYS 76 HA LYS 76 1.585 3.684 -10.088 649 HB2 LYS 76 2HB LYS 76 2.296 5.687 -8.944 650 HB3 LYS 76 1HB LYS 76 2.564 4.798 -7.459 651 HG2 LYS 76 2HG LYS 76 4.453 3.650 -8.460 652 HG3 LYS 76 1HG LYS 76 4.161 4.485 -9.994 653 HD2 LYS 76 2HD LYS 76 4.572 6.617 -8.970 654 HD3 LYS 76 1HD LYS 76 4.689 5.884 -7.377 655 HE2 LYS 76 2HE LYS 76 6.716 4.723 -8.059 656 HE3 LYS 76 1HE LYS 76 6.584 5.426 -9.675 657 HZ1 LYS 76 3HZ LYS 76 8.140 6.689 -8.354 658 HZ2 LYS 76 1HZ LYS 76 6.983 6.905 -7.129 659 HZ3 LYS 76 2HZ LYS 76 6.758 7.630 -8.648 660 H HIS 77 H HIS 77 1.425 2.597 -6.719 661 HA HIS 77 HA HIS 77 3.277 0.468 -6.948 662 HB2 HIS 77 2HB HIS 77 0.944 0.748 -5.038 663 HB3 HIS 77 1HB HIS 77 2.283 -0.379 -4.864 664 HD2 HIS 77 2HD HIS 77 4.418 2.220 -5.750 665 HE1 HIS 77 1HE HIS 77 3.217 3.445 -1.882 666 HE2 HIS 77 2HE HIS 77 4.821 3.885 -3.802 667 H ILE 78 H ILE 78 -0.257 0.595 -7.217 668 HA ILE 78 HA ILE 78 -0.774 -2.126 -7.496 669 HB ILE 78 HB ILE 78 -2.244 0.167 -8.815 670 HG12 ILE 78 2HG1 ILE 78 -2.761 -1.248 -6.189 671 HG13 ILE 78 1HG1 ILE 78 -2.065 0.360 -6.356 672 HG21 ILE 78 1HG2 ILE 78 -3.156 -2.656 -8.255 673 HG22 ILE 78 2HG2 ILE 78 -2.811 -1.969 -9.843 674 HG23 ILE 78 3HG2 ILE 78 -4.163 -1.356 -8.892 675 HD11 ILE 78 3HD1 ILE 78 -4.410 0.476 -5.763 676 HD12 ILE 78 1HD1 ILE 78 -4.833 -0.463 -7.194 677 HD13 ILE 78 2HD1 ILE 78 -4.142 1.148 -7.372 678 H GLU 79 H GLU 79 0.228 0.248 -9.890 679 HA GLU 79 HA GLU 79 -0.255 -1.229 -12.203 680 HB2 GLU 79 2HB GLU 79 0.177 1.172 -12.199 681 HB3 GLU 79 1HB GLU 79 1.823 0.895 -11.647 682 HG2 GLU 79 2HG GLU 79 2.417 -0.130 -13.704 683 HG3 GLU 79 1HG GLU 79 0.741 -0.133 -14.249 684 H TRP 80 H TRP 80 2.587 -1.117 -10.087 685 HA TRP 80 HA TRP 80 4.278 -2.614 -11.800 686 HB2 TRP 80 2HB TRP 80 4.437 -2.387 -8.789 687 HB3 TRP 80 1HB TRP 80 5.738 -2.867 -9.868 688 HD1 TRP 80 HD TRP 80 5.005 -0.395 -11.984 689 HE1 TRP 80 1HE TRP 80 5.870 1.943 -11.347 690 HE3 TRP 80 3HE TRP 80 5.797 -1.158 -6.993 691 HZ2 TRP 80 2HZ TRP 80 6.786 3.274 -9.043 692 HZ3 TRP 80 3HZ TRP 80 6.678 0.701 -5.641 693 HH2 TRP 80 HH TRP 80 7.163 2.873 -6.647 694 H HIS 81 H HIS 81 2.294 -3.526 -9.012 695 HA HIS 81 HA HIS 81 3.029 -6.275 -9.106 696 HB2 HIS 81 2HB HIS 81 0.789 -4.813 -7.716 697 HB3 HIS 81 1HB HIS 81 1.036 -6.551 -7.559 698 HD1 HIS 81 1HD HIS 81 3.178 -7.326 -6.247 699 HD2 HIS 81 2HD HIS 81 2.541 -3.219 -6.311 700 HE1 HIS 81 1HE HIS 81 4.756 -6.333 -4.533 701 H LYS 82 H LYS 82 0.519 -4.357 -10.558 702 HA LYS 82 HA LYS 82 -1.211 -6.357 -11.469 703 HB2 LYS 82 2HB LYS 82 -1.803 -4.023 -11.578 704 HB3 LYS 82 1HB LYS 82 -0.447 -3.679 -12.638 705 HG2 LYS 82 2HG LYS 82 -1.525 -5.105 -14.366 706 HG3 LYS 82 1HG LYS 82 -2.933 -5.232 -13.303 707 HD2 LYS 82 2HD LYS 82 -3.193 -2.816 -13.322 708 HD3 LYS 82 1HD LYS 82 -1.749 -2.651 -14.320 709 HE2 LYS 82 2HE LYS 82 -2.868 -3.953 -16.091 710 HE3 LYS 82 1HE LYS 82 -4.325 -4.006 -15.097 711 HZ1 LYS 82 3HZ LYS 82 -4.415 -1.589 -15.163 712 HZ2 LYS 82 1HZ LYS 82 -4.427 -2.228 -16.740 713 HZ3 LYS 82 2HZ LYS 82 -3.011 -1.538 -16.109 714 H ALA 83 H ALA 83 1.658 -4.929 -13.001 715 HA ALA 83 HA ALA 83 1.514 -6.489 -15.365 716 HB1 ALA 83 1HB ALA 83 3.894 -5.114 -14.121 717 HB2 ALA 83 2HB ALA 83 2.760 -4.394 -15.263 718 HB3 ALA 83 3HB ALA 83 3.802 -5.721 -15.773 719 H ALA 84 H ALA 84 3.007 -6.962 -12.233 720 HA ALA 84 HA ALA 84 4.729 -9.086 -12.869 721 HB1 ALA 84 1HB ALA 84 3.366 -8.519 -10.238 722 HB2 ALA 84 2HB ALA 84 4.884 -7.810 -10.790 723 HB3 ALA 84 3HB ALA 84 4.784 -9.543 -10.480 724 H SER 85 H SER 85 1.291 -9.024 -12.220 725 HA SER 85 HA SER 85 1.025 -11.843 -11.822 726 HB2 SER 85 2HB SER 85 -1.061 -9.769 -12.529 727 HB3 SER 85 1HB SER 85 -1.397 -11.416 -11.995 728 HG SER 85 HG SER 85 -1.497 -9.883 -10.283 729 H LYS 86 H LYS 86 1.988 -10.320 -14.501 730 HA LYS 86 HA LYS 86 0.833 -12.421 -16.196 731 HB2 LYS 86 2HB LYS 86 -0.273 -10.217 -16.633 732 HB3 LYS 86 1HB LYS 86 1.293 -9.576 -17.107 733 HG2 LYS 86 2HG LYS 86 0.365 -10.103 -19.136 734 HG3 LYS 86 1HG LYS 86 1.310 -11.549 -18.788 735 HD2 LYS 86 2HD LYS 86 -1.638 -11.269 -18.210 736 HD3 LYS 86 1HD LYS 86 -0.985 -11.992 -19.676 737 HE2 LYS 86 2HE LYS 86 -1.128 -13.920 -18.544 738 HE3 LYS 86 1HE LYS 86 0.345 -13.379 -17.742 739 HZ1 LYS 86 3HZ LYS 86 -0.948 -12.523 -15.926 740 HZ2 LYS 86 1HZ LYS 86 -1.414 -14.131 -16.201 741 HZ3 LYS 86 2HZ LYS 86 -2.401 -12.862 -16.731 742 H GLN 87 H GLN 87 3.399 -10.005 -15.805 743 HA GLN 87 HA GLN 87 5.308 -11.972 -16.819 744 HB2 GLN 87 2HB GLN 87 4.762 -10.551 -18.743 745 HB3 GLN 87 1HB GLN 87 5.138 -9.115 -17.801 746 HG2 GLN 87 2HG GLN 87 7.458 -9.806 -17.632 747 HG3 GLN 87 1HG GLN 87 7.096 -11.284 -18.519 748 HE21 GLN 87 1HE2 GLN 87 5.656 -8.209 -19.326 749 HE22 GLN 87 2HE2 GLN 87 6.503 -7.984 -20.821 750 H GLY 88 H GLY 88 6.454 -12.277 -15.008 751 HA2 GLY 88 2HA GLY 88 8.057 -10.121 -14.004 752 HA3 GLY 88 1HA GLY 88 6.806 -10.614 -12.872 753 H ASN 89 H ASN 89 9.469 -10.797 -12.228 754 HA ASN 89 HA ASN 89 9.800 -13.718 -12.076 755 HB2 ASN 89 2HB ASN 89 12.237 -13.436 -12.135 756 HB3 ASN 89 1HB ASN 89 11.501 -12.818 -13.609 757 HD21 ASN 89 1HD2 ASN 89 11.495 -10.608 -13.992 758 HD22 ASN 89 2HD2 ASN 89 12.516 -9.524 -13.122 759 H ALA 90 H ALA 90 11.684 -14.023 -10.230 760 HA ALA 90 HA ALA 90 10.268 -13.077 -7.874 761 HB1 ALA 90 1HB ALA 90 11.603 -14.723 -6.668 762 HB2 ALA 90 2HB ALA 90 12.530 -15.053 -8.130 763 HB3 ALA 90 3HB ALA 90 10.810 -15.443 -8.068 764 H GLU 91 H GLU 91 13.477 -12.768 -9.322 765 HA GLU 91 HA GLU 91 14.778 -11.625 -7.121 766 HB2 GLU 91 2HB GLU 91 15.271 -11.282 -10.081 767 HB3 GLU 91 1HB GLU 91 16.374 -10.767 -8.823 768 HG2 GLU 91 2HG GLU 91 16.632 -13.078 -8.087 769 HG3 GLU 91 1HG GLU 91 15.509 -13.598 -9.344 770 H GLN 92 H GLN 92 13.243 -10.076 -9.927 771 HA GLN 92 HA GLN 92 13.583 -7.435 -8.943 772 HB2 GLN 92 2HB GLN 92 11.788 -8.600 -11.060 773 HB3 GLN 92 1HB GLN 92 11.768 -6.891 -10.656 774 HG2 GLN 92 2HG GLN 92 14.242 -8.357 -11.533 775 HG3 GLN 92 1HG GLN 92 13.150 -7.533 -12.640 776 HE21 GLN 92 1HE2 GLN 92 13.996 -6.353 -9.423 777 HE22 GLN 92 2HE2 GLN 92 14.872 -4.968 -9.968 778 H PHE 93 H PHE 93 11.193 -9.890 -8.413 779 HA PHE 93 HA PHE 93 9.086 -8.220 -7.511 780 HB2 PHE 93 2HB PHE 93 8.834 -10.615 -8.209 781 HB3 PHE 93 1HB PHE 93 9.625 -11.087 -6.711 782 HD1 PHE 93 2HD PHE 93 6.837 -8.830 -7.753 783 HD2 PHE 93 1HD PHE 93 8.233 -11.805 -5.051 784 HE1 PHE 93 2HE PHE 93 4.665 -8.797 -6.603 785 HE2 PHE 93 1HE PHE 93 6.061 -11.776 -3.896 786 HZ PHE 93 HZ PHE 93 4.277 -10.270 -4.671 787 H ALA 94 H ALA 94 11.769 -9.845 -5.889 788 HA ALA 94 HA ALA 94 11.113 -9.149 -3.248 789 HB1 ALA 94 1HB ALA 94 13.479 -9.532 -2.748 790 HB2 ALA 94 2HB ALA 94 13.842 -9.532 -4.474 791 HB3 ALA 94 3HB ALA 94 12.825 -10.799 -3.786 792 H SER 95 H SER 95 12.965 -7.443 -5.733 793 HA SER 95 HA SER 95 13.640 -5.209 -4.108 794 HB2 SER 95 2HB SER 95 14.865 -5.791 -6.183 795 HB3 SER 95 1HB SER 95 13.433 -5.392 -7.130 796 HG SER 95 HG SER 95 15.359 -3.768 -6.270 797 H LEU 96 H LEU 96 10.951 -6.041 -6.179 798 HA LEU 96 HA LEU 96 9.674 -3.565 -6.359 799 HB2 LEU 96 2HB LEU 96 9.072 -5.502 -7.714 800 HB3 LEU 96 1HB LEU 96 8.507 -6.348 -6.289 801 HG LEU 96 HG LEU 96 6.679 -4.755 -6.028 802 HD11 LEU 96 1HD1 LEU 96 7.807 -2.777 -6.915 803 HD12 LEU 96 2HD1 LEU 96 6.256 -3.044 -7.710 804 HD13 LEU 96 3HD1 LEU 96 7.755 -3.471 -8.535 805 HD21 LEU 96 3HD2 LEU 96 5.404 -5.357 -8.023 806 HD22 LEU 96 1HD2 LEU 96 6.334 -6.730 -7.425 807 HD23 LEU 96 2HD2 LEU 96 6.894 -5.834 -8.839 808 H VAL 97 H VAL 97 9.260 -6.191 -4.008 809 HA VAL 97 HA VAL 97 7.329 -4.923 -2.413 810 HB VAL 97 HB VAL 97 9.439 -6.914 -1.551 811 HG11 VAL 97 1HG1 VAL 97 7.938 -7.440 0.297 812 HG12 VAL 97 2HG1 VAL 97 6.827 -6.178 -0.234 813 HG13 VAL 97 3HG1 VAL 97 8.435 -5.747 0.350 814 HG21 VAL 97 3HG2 VAL 97 8.111 -7.813 -3.351 815 HG22 VAL 97 1HG2 VAL 97 6.620 -7.318 -2.546 816 HG23 VAL 97 2HG2 VAL 97 7.630 -8.578 -1.836 817 H GLN 98 H GLN 98 10.869 -4.800 -2.331 818 HA GLN 98 HA GLN 98 11.088 -3.411 0.130 819 HB2 GLN 98 2HB GLN 98 12.954 -4.645 -0.917 820 HB3 GLN 98 1HB GLN 98 13.008 -3.455 -2.211 821 HG2 GLN 98 2HG GLN 98 13.453 -1.724 -0.437 822 HG3 GLN 98 1HG GLN 98 13.670 -3.062 0.691 823 HE21 GLN 98 1HE2 GLN 98 14.615 -3.179 -2.676 824 HE22 GLN 98 2HE2 GLN 98 16.322 -3.194 -2.401 825 H GLN 99 H GLN 99 11.092 -2.232 -3.256 826 HA GLN 99 HA GLN 99 11.444 0.484 -2.470 827 HB2 GLN 99 2HB GLN 99 10.910 1.069 -4.783 828 HB3 GLN 99 1HB GLN 99 12.070 -0.246 -4.717 829 HG2 GLN 99 2HG GLN 99 10.328 -1.841 -5.244 830 HG3 GLN 99 1HG GLN 99 9.122 -0.555 -5.229 831 HE21 GLN 99 1HE2 GLN 99 9.916 -2.380 -7.371 832 HE22 GLN 99 2HE2 GLN 99 10.390 -1.377 -8.694 833 H HIS 100 H HIS 100 8.651 -1.534 -3.121 834 HA HIS 100 HA HIS 100 6.640 0.420 -2.934 835 HB2 HIS 100 2HB HIS 100 6.420 -2.017 -3.659 836 HB3 HIS 100 1HB HIS 100 6.457 -2.442 -1.955 837 HD1 HIS 100 1HD HIS 100 4.012 -3.121 -3.716 838 HD2 HIS 100 2HD HIS 100 4.370 0.324 -1.418 839 HE1 HIS 100 1HE HIS 100 1.660 -2.338 -3.245 840 H LEU 101 H LEU 101 8.267 -1.584 -0.526 841 HA LEU 101 HA LEU 101 6.881 -0.795 1.753 842 HB2 LEU 101 2HB LEU 101 9.336 -2.190 1.077 843 HB3 LEU 101 1HB LEU 101 9.497 -1.280 2.556 844 HG LEU 101 HG LEU 101 7.389 -3.368 2.001 845 HD11 LEU 101 1HD1 LEU 101 9.614 -4.328 2.274 846 HD12 LEU 101 2HD1 LEU 101 8.590 -4.700 3.661 847 HD13 LEU 101 3HD1 LEU 101 9.820 -3.443 3.786 848 HD21 LEU 101 3HD2 LEU 101 7.989 -1.798 4.508 849 HD22 LEU 101 1HD2 LEU 101 6.844 -3.131 4.380 850 HD23 LEU 101 2HD2 LEU 101 6.557 -1.635 3.494 851 H GLN 102 H GLN 102 9.761 0.636 0.222 852 HA GLN 102 HA GLN 102 10.303 2.552 2.178 853 HB2 GLN 102 2HB GLN 102 10.824 2.568 -0.799 854 HB3 GLN 102 1HB GLN 102 11.575 3.617 0.370 855 HG2 GLN 102 2HG GLN 102 11.857 0.635 0.278 856 HG3 GLN 102 1HG GLN 102 13.055 1.803 -0.272 857 HE21 GLN 102 1HE2 GLN 102 11.520 0.350 2.480 858 HE22 GLN 102 2HE2 GLN 102 12.637 0.924 3.664 859 H ASP 103 H ASP 103 8.362 2.652 -0.776 860 HA ASP 103 HA ASP 103 7.581 5.344 -0.663 861 HB2 ASP 103 2HB ASP 103 6.592 2.891 -2.017 862 HB3 ASP 103 1HB ASP 103 5.476 4.245 -1.911 863 H GLU 104 H GLU 104 6.054 2.422 0.662 864 HA GLU 104 HA GLU 104 3.723 3.700 1.597 865 HB2 GLU 104 2HB GLU 104 5.057 1.182 2.598 866 HB3 GLU 104 1HB GLU 104 3.447 1.711 3.061 867 HG2 GLU 104 2HG GLU 104 4.347 0.964 0.286 868 HG3 GLU 104 1HG GLU 104 3.345 -0.009 1.359 869 H GLN 105 H GLN 105 6.905 3.290 3.036 870 HA GLN 105 HA GLN 105 6.273 4.041 5.651 871 HB2 GLN 105 2HB GLN 105 8.789 4.301 4.019 872 HB3 GLN 105 1HB GLN 105 8.698 4.814 5.689 873 HG2 GLN 105 2HG GLN 105 8.040 2.522 6.328 874 HG3 GLN 105 1HG GLN 105 8.259 2.030 4.650 875 HE21 GLN 105 1HE2 GLN 105 10.310 4.362 6.250 876 HE22 GLN 105 2HE2 GLN 105 11.725 3.373 6.301 877 H ARG 106 H ARG 106 6.952 5.942 2.773 878 HA ARG 106 HA ARG 106 7.137 8.478 3.989 879 HB2 ARG 106 2HB ARG 106 6.121 7.739 1.234 880 HB3 ARG 106 1HB ARG 106 6.570 9.356 1.748 881 HG2 ARG 106 2HG ARG 106 8.870 8.657 2.033 882 HG3 ARG 106 1HG ARG 106 8.435 7.001 1.598 883 HD2 ARG 106 2HD ARG 106 7.721 7.766 -0.606 884 HD3 ARG 106 1HD ARG 106 8.131 9.423 -0.173 885 HE ARG 106 HE ARG 106 10.456 8.066 0.217 886 HH11 ARG 106 1HH1 ARG 106 8.216 8.343 -2.453 887 HH12 ARG 106 2HH1 ARG 106 9.432 8.148 -3.678 888 HH21 ARG 106 1HH2 ARG 106 12.083 7.837 -1.392 889 HH22 ARG 106 2HH2 ARG 106 11.638 7.869 -3.073 890 H HIS 107 H HIS 107 4.364 6.656 2.718 891 HA HIS 107 HA HIS 107 2.415 8.649 3.047 892 HB2 HIS 107 2HB HIS 107 2.111 5.641 3.279 893 HB3 HIS 107 1HB HIS 107 0.778 6.778 3.115 894 HD2 HIS 107 2HD HIS 107 2.780 8.387 0.707 895 HE1 HIS 107 1HE HIS 107 1.513 4.950 -1.400 896 HE2 HIS 107 2HE HIS 107 2.647 7.201 -1.591 897 H VAL 108 H VAL 108 3.500 6.082 5.235 898 HA VAL 108 HA VAL 108 1.877 6.782 7.427 899 HB VAL 108 HB VAL 108 4.620 5.497 7.491 900 HG11 VAL 108 1HG1 VAL 108 2.403 5.488 9.540 901 HG12 VAL 108 2HG1 VAL 108 3.943 6.333 9.681 902 HG13 VAL 108 3HG1 VAL 108 3.906 4.571 9.649 903 HG21 VAL 108 3HG2 VAL 108 3.054 4.272 6.069 904 HG22 VAL 108 1HG2 VAL 108 1.889 4.224 7.390 905 HG23 VAL 108 2HG2 VAL 108 3.427 3.371 7.539 906 H GLU 109 H GLU 109 5.187 7.718 6.551 907 HA GLU 109 HA GLU 109 5.770 9.336 8.734 908 HB2 GLU 109 2HB GLU 109 6.694 9.227 5.897 909 HB3 GLU 109 1HB GLU 109 7.220 10.553 6.908 910 HG2 GLU 109 2HG GLU 109 7.959 8.730 8.563 911 HG3 GLU 109 1HG GLU 109 7.785 7.632 7.193 912 H GLU 110 H GLU 110 4.225 10.173 5.655 913 HA GLU 110 HA GLU 110 4.132 12.938 6.198 914 HB2 GLU 110 2HB GLU 110 2.977 11.116 4.140 915 HB3 GLU 110 1HB GLU 110 2.354 12.750 4.263 916 HG2 GLU 110 2HG GLU 110 4.562 13.665 3.923 917 HG3 GLU 110 1HG GLU 110 5.259 12.048 3.930 918 H ILE 111 H ILE 111 1.708 10.349 6.594 919 HA ILE 111 HA ILE 111 -0.325 12.168 7.478 920 HB ILE 111 HB ILE 111 -0.122 9.173 7.811 921 HG12 ILE 111 2HG1 ILE 111 -1.714 10.864 5.868 922 HG13 ILE 111 1HG1 ILE 111 -0.271 9.933 5.470 923 HG21 ILE 111 1HG2 ILE 111 -2.524 9.254 8.330 924 HG22 ILE 111 2HG2 ILE 111 -2.461 11.015 8.305 925 HG23 ILE 111 3HG2 ILE 111 -1.560 10.119 9.526 926 HD11 ILE 111 3HD1 ILE 111 -1.438 7.872 5.993 927 HD12 ILE 111 1HD1 ILE 111 -2.320 8.800 4.779 928 HD13 ILE 111 2HD1 ILE 111 -2.874 8.789 6.455 929 H GLU 112 H GLU 112 1.817 9.885 9.196 930 HA GLU 112 HA GLU 112 0.628 10.335 11.712 931 HB2 GLU 112 2HB GLU 112 3.132 8.985 10.778 932 HB3 GLU 112 1HB GLU 112 2.780 9.162 12.483 933 HG2 GLU 112 2HG GLU 112 0.911 7.855 10.535 934 HG3 GLU 112 1HG GLU 112 2.110 6.980 11.487 935 H LYS 113 H LYS 113 3.389 11.826 10.100 936 HA LYS 113 HA LYS 113 4.304 12.951 12.595 937 HB2 LYS 113 2HB LYS 113 5.374 13.234 9.791 938 HB3 LYS 113 1HB LYS 113 6.121 13.960 11.211 939 HG2 LYS 113 2HG LYS 113 6.421 11.734 12.183 940 HG3 LYS 113 1HG LYS 113 5.694 11.014 10.747 941 HD2 LYS 113 2HD LYS 113 7.498 11.875 9.372 942 HD3 LYS 113 1HD LYS 113 8.206 12.686 10.772 943 HE2 LYS 113 2HE LYS 113 8.442 10.467 11.865 944 HE3 LYS 113 1HE LYS 113 7.870 9.716 10.379 945 HZ1 LYS 113 3HZ LYS 113 10.268 11.456 10.507 946 HZ2 LYS 113 1HZ LYS 113 9.785 10.464 9.217 947 HZ3 LYS 113 2HZ LYS 113 10.329 9.769 10.664 948 H LYS 114 H LYS 114 2.179 13.850 10.179 949 HA LYS 114 HA LYS 114 1.095 15.965 11.529 950 HB2 LYS 114 2HB LYS 114 3.418 17.015 10.906 951 HB3 LYS 114 1HB LYS 114 2.709 17.198 9.308 952 HG2 LYS 114 2HG LYS 114 1.515 18.316 11.841 953 HG3 LYS 114 1HG LYS 114 2.524 19.226 10.716 954 HD2 LYS 114 2HD LYS 114 0.904 19.144 9.025 955 HD3 LYS 114 1HD LYS 114 0.030 17.826 9.805 956 HE2 LYS 114 2HE LYS 114 -0.598 19.360 11.627 957 HE3 LYS 114 1HE LYS 114 0.223 20.671 10.779 958 HZ1 LYS 114 3HZ LYS 114 -2.041 19.103 9.654 959 HZ2 LYS 114 1HZ LYS 114 -1.304 20.472 8.966 960 HZ3 LYS 114 2HZ LYS 114 -2.199 20.622 10.401 961 H ASN 115 H ASN 115 -0.879 15.557 10.770 962 HA ASN 115 HA ASN 115 -1.323 15.970 7.902 963 HB2 ASN 115 2HB ASN 115 -1.417 13.541 8.334 964 HB3 ASN 115 1HB ASN 115 -2.645 13.810 9.565 965 HD21 ASN 115 1HD2 ASN 115 -4.156 12.562 8.520 966 HD22 ASN 115 2HD2 ASN 115 -4.935 13.057 7.063 Start of MODEL 12 1 H1 MET 1 H1 MET 1 -15.415 11.715 15.302 2 H2 MET 1 H2 MET 1 -16.625 12.430 14.353 3 H3 MET 1 H3 MET 1 -15.028 13.002 14.272 4 HA MET 1 HA MET 1 -15.938 10.308 13.441 5 HB2 MET 1 2HB MET 1 -14.960 12.615 11.743 6 HB3 MET 1 1HB MET 1 -15.460 11.037 11.161 7 HG2 MET 1 2HG MET 1 -17.247 12.451 10.692 8 HG3 MET 1 1HG MET 1 -17.741 11.568 12.136 9 HE1 MET 1 2HE MET 1 -19.322 15.178 12.506 10 HE2 MET 1 3HE MET 1 -19.670 13.456 12.365 11 HE3 MET 1 1HE MET 1 -19.018 14.342 10.985 12 H ASP 2 H ASP 2 -14.280 8.999 12.537 13 HA ASP 2 HA ASP 2 -11.541 10.014 12.954 14 HB2 ASP 2 2HB ASP 2 -12.173 8.081 14.460 15 HB3 ASP 2 1HB ASP 2 -12.332 7.094 13.009 16 H GLU 3 H GLU 3 -10.500 10.337 11.137 17 HA GLU 3 HA GLU 3 -11.423 8.932 8.720 18 HB2 GLU 3 2HB GLU 3 -10.744 11.009 7.493 19 HB3 GLU 3 1HB GLU 3 -12.076 11.245 8.615 20 HG2 GLU 3 2HG GLU 3 -10.355 12.054 10.282 21 HG3 GLU 3 1HG GLU 3 -9.212 12.078 8.940 22 H LEU 4 H LEU 4 -9.160 8.375 10.701 23 HA LEU 4 HA LEU 4 -6.978 8.395 8.723 24 HB2 LEU 4 2HB LEU 4 -6.767 9.109 11.644 25 HB3 LEU 4 1HB LEU 4 -5.387 8.819 10.602 26 HG LEU 4 HG LEU 4 -7.424 11.015 10.214 27 HD11 LEU 4 1HD1 LEU 4 -5.622 12.514 10.911 28 HD12 LEU 4 2HD1 LEU 4 -4.596 11.122 11.253 29 HD13 LEU 4 3HD1 LEU 4 -6.064 11.387 12.193 30 HD21 LEU 4 3HD2 LEU 4 -4.821 10.457 8.792 31 HD22 LEU 4 1HD2 LEU 4 -5.862 11.859 8.537 32 HD23 LEU 4 2HD2 LEU 4 -6.436 10.245 8.115 33 H ARG 5 H ARG 5 -8.435 6.786 11.530 34 HA ARG 5 HA ARG 5 -6.333 4.964 11.934 35 HB2 ARG 5 2HB ARG 5 -8.037 5.389 13.641 36 HB3 ARG 5 1HB ARG 5 -9.249 4.613 12.627 37 HG2 ARG 5 2HG ARG 5 -8.180 2.507 12.816 38 HG3 ARG 5 1HG ARG 5 -6.773 3.222 13.599 39 HD2 ARG 5 2HD ARG 5 -8.199 3.860 15.507 40 HD3 ARG 5 1HD ARG 5 -9.565 3.057 14.725 41 HE ARG 5 HE ARG 5 -8.384 0.962 14.969 42 HH11 ARG 5 1HH1 ARG 5 -7.105 3.668 16.796 43 HH12 ARG 5 2HH1 ARG 5 -6.245 2.657 17.915 44 HH21 ARG 5 1HH2 ARG 5 -7.240 -0.356 16.444 45 HH22 ARG 5 2HH2 ARG 5 -6.327 0.381 17.732 46 H GLU 6 H GLU 6 -9.323 4.624 10.016 47 HA GLU 6 HA GLU 6 -8.825 1.952 9.264 48 HB2 GLU 6 2HB GLU 6 -10.530 4.136 8.139 49 HB3 GLU 6 1HB GLU 6 -10.301 2.656 7.220 50 HG2 GLU 6 2HG GLU 6 -11.463 2.915 9.978 51 HG3 GLU 6 1HG GLU 6 -12.313 2.471 8.498 52 H LEU 7 H LEU 7 -7.793 5.010 7.922 53 HA LEU 7 HA LEU 7 -6.659 4.031 5.537 54 HB2 LEU 7 2HB LEU 7 -6.364 6.512 7.191 55 HB3 LEU 7 1HB LEU 7 -5.278 6.233 5.857 56 HG LEU 7 HG LEU 7 -7.254 6.097 4.335 57 HD11 LEU 7 1HD1 LEU 7 -8.760 7.063 6.760 58 HD12 LEU 7 2HD1 LEU 7 -8.942 5.489 5.986 59 HD13 LEU 7 3HD1 LEU 7 -9.395 6.955 5.116 60 HD21 LEU 7 3HD2 LEU 7 -6.945 8.646 5.913 61 HD22 LEU 7 1HD2 LEU 7 -7.667 8.508 4.308 62 HD23 LEU 7 2HD2 LEU 7 -5.957 8.142 4.541 63 H LEU 8 H LEU 8 -5.275 4.812 8.710 64 HA LEU 8 HA LEU 8 -2.625 4.067 8.121 65 HB2 LEU 8 2HB LEU 8 -3.379 5.446 10.061 66 HB3 LEU 8 1HB LEU 8 -4.017 3.995 10.799 67 HG LEU 8 HG LEU 8 -1.736 3.042 10.863 68 HD11 LEU 8 1HD1 LEU 8 0.184 4.509 10.460 69 HD12 LEU 8 2HD1 LEU 8 -0.903 5.771 9.879 70 HD13 LEU 8 3HD1 LEU 8 -0.760 4.252 8.994 71 HD21 LEU 8 3HD2 LEU 8 -2.049 5.730 12.196 72 HD22 LEU 8 1HD2 LEU 8 -0.901 4.477 12.664 73 HD23 LEU 8 2HD2 LEU 8 -2.632 4.184 12.810 74 H LYS 9 H LYS 9 -5.298 2.300 9.604 75 HA LYS 9 HA LYS 9 -3.964 -0.069 10.225 76 HB2 LYS 9 2HB LYS 9 -6.261 0.559 10.978 77 HB3 LYS 9 1HB LYS 9 -6.855 0.211 9.365 78 HG2 LYS 9 2HG LYS 9 -5.389 -1.916 10.841 79 HG3 LYS 9 1HG LYS 9 -7.046 -1.545 11.304 80 HD2 LYS 9 2HD LYS 9 -6.328 -2.065 8.437 81 HD3 LYS 9 1HD LYS 9 -6.610 -3.402 9.549 82 HE2 LYS 9 2HE LYS 9 -8.639 -2.896 8.328 83 HE3 LYS 9 1HE LYS 9 -8.852 -2.499 10.029 84 HZ1 LYS 9 3HZ LYS 9 -8.501 -0.182 9.513 85 HZ2 LYS 9 1HZ LYS 9 -9.767 -0.789 8.572 86 HZ3 LYS 9 2HZ LYS 9 -8.238 -0.541 7.883 87 H ALA 10 H ALA 10 -5.364 1.014 7.180 88 HA ALA 10 HA ALA 10 -5.140 -1.451 5.795 89 HB1 ALA 10 1HB ALA 10 -6.542 0.388 4.991 90 HB2 ALA 10 2HB ALA 10 -5.380 -0.119 3.764 91 HB3 ALA 10 3HB ALA 10 -5.100 1.357 4.687 92 H GLU 11 H GLU 11 -3.015 1.364 6.058 93 HA GLU 11 HA GLU 11 -0.930 0.432 4.427 94 HB2 GLU 11 2HB GLU 11 -0.785 2.274 6.825 95 HB3 GLU 11 1HB GLU 11 0.456 2.101 5.590 96 HG2 GLU 11 2HG GLU 11 -2.346 2.974 4.964 97 HG3 GLU 11 1HG GLU 11 -1.067 4.104 5.399 98 H GLN 12 H GLN 12 -1.493 0.134 7.908 99 HA GLN 12 HA GLN 12 0.854 -1.221 8.612 100 HB2 GLN 12 2HB GLN 12 -1.918 -1.504 9.795 101 HB3 GLN 12 1HB GLN 12 -0.432 -2.051 10.556 102 HG2 GLN 12 2HG GLN 12 0.348 0.210 10.775 103 HG3 GLN 12 1HG GLN 12 -1.030 0.814 9.856 104 HE21 GLN 12 1HE2 GLN 12 -0.167 1.485 12.550 105 HE22 GLN 12 2HE2 GLN 12 -1.504 1.115 13.587 106 H GLN 13 H GLN 13 -2.232 -2.398 7.391 107 HA GLN 13 HA GLN 13 -1.726 -5.152 7.713 108 HB2 GLN 13 2HB GLN 13 -3.975 -4.163 7.325 109 HB3 GLN 13 1HB GLN 13 -3.500 -3.799 5.673 110 HG2 GLN 13 2HG GLN 13 -3.202 -6.198 5.246 111 HG3 GLN 13 1HG GLN 13 -3.744 -6.538 6.892 112 HE21 GLN 13 1HE2 GLN 13 -4.683 -5.482 3.725 113 HE22 GLN 13 2HE2 GLN 13 -6.389 -5.623 3.962 114 H GLY 14 H GLY 14 -1.253 -2.931 5.026 115 HA2 GLY 14 2HA GLY 14 -0.351 -4.843 3.147 116 HA3 GLY 14 1HA GLY 14 -0.056 -3.117 3.068 117 H ILE 15 H ILE 15 1.444 -2.667 5.312 118 HA ILE 15 HA ILE 15 4.019 -3.399 4.502 119 HB ILE 15 HB ILE 15 3.045 -2.453 7.202 120 HG12 ILE 15 2HG1 ILE 15 4.417 -0.991 4.941 121 HG13 ILE 15 1HG1 ILE 15 2.701 -0.898 5.319 122 HG21 ILE 15 1HG2 ILE 15 5.880 -2.640 6.189 123 HG22 ILE 15 2HG2 ILE 15 5.169 -3.610 7.480 124 HG23 ILE 15 3HG2 ILE 15 5.374 -1.871 7.691 125 HD11 ILE 15 3HD1 ILE 15 3.268 0.083 7.504 126 HD12 ILE 15 1HD1 ILE 15 3.850 1.051 6.151 127 HD13 ILE 15 2HD1 ILE 15 4.973 0.038 7.057 128 H LYS 16 H LYS 16 1.920 -4.776 6.995 129 HA LYS 16 HA LYS 16 3.706 -6.700 7.991 130 HB2 LYS 16 2HB LYS 16 1.518 -5.996 9.006 131 HB3 LYS 16 1HB LYS 16 0.704 -6.941 7.776 132 HG2 LYS 16 2HG LYS 16 1.432 -8.963 8.657 133 HG3 LYS 16 1HG LYS 16 2.730 -8.202 9.580 134 HD2 LYS 16 2HD LYS 16 0.905 -8.899 11.045 135 HD3 LYS 16 1HD LYS 16 1.081 -7.143 11.039 136 HE2 LYS 16 2HE LYS 16 -0.761 -7.056 9.344 137 HE3 LYS 16 1HE LYS 16 -1.000 -8.785 9.605 138 HZ1 LYS 16 3HZ LYS 16 -1.227 -6.669 11.677 139 HZ2 LYS 16 1HZ LYS 16 -1.453 -8.331 11.941 140 HZ3 LYS 16 2HZ LYS 16 -2.524 -7.474 10.941 141 H ILE 17 H ILE 17 1.239 -6.880 5.482 142 HA ILE 17 HA ILE 17 1.658 -9.527 4.668 143 HB ILE 17 HB ILE 17 0.681 -7.114 3.127 144 HG12 ILE 17 2HG1 ILE 17 -0.764 -9.527 4.256 145 HG13 ILE 17 1HG1 ILE 17 -0.727 -7.927 4.992 146 HG21 ILE 17 1HG2 ILE 17 0.624 -9.997 2.230 147 HG22 ILE 17 2HG2 ILE 17 1.664 -8.739 1.562 148 HG23 ILE 17 3HG2 ILE 17 -0.087 -8.623 1.382 149 HD11 ILE 17 3HD1 ILE 17 -1.906 -7.006 3.077 150 HD12 ILE 17 1HD1 ILE 17 -2.811 -8.337 3.799 151 HD13 ILE 17 2HD1 ILE 17 -1.911 -8.592 2.305 152 H LEU 18 H LEU 18 3.230 -6.524 3.622 153 HA LEU 18 HA LEU 18 4.748 -7.612 1.537 154 HB2 LEU 18 2HB LEU 18 5.319 -5.256 3.329 155 HB3 LEU 18 1HB LEU 18 6.236 -5.634 1.883 156 HG LEU 18 HG LEU 18 3.289 -4.969 1.946 157 HD11 LEU 18 1HD1 LEU 18 3.980 -2.883 0.848 158 HD12 LEU 18 2HD1 LEU 18 5.667 -3.328 1.101 159 HD13 LEU 18 3HD1 LEU 18 4.616 -3.027 2.485 160 HD21 LEU 18 3HD2 LEU 18 3.830 -6.459 0.117 161 HD22 LEU 18 1HD2 LEU 18 5.181 -5.427 -0.355 162 HD23 LEU 18 2HD2 LEU 18 3.526 -4.833 -0.497 163 H LYS 19 H LYS 19 5.542 -7.238 4.986 164 HA LYS 19 HA LYS 19 8.129 -8.296 4.858 165 HB2 LYS 19 2HB LYS 19 6.078 -8.235 7.068 166 HB3 LYS 19 1HB LYS 19 7.713 -8.808 7.290 167 HG2 LYS 19 2HG LYS 19 8.522 -6.573 6.515 168 HG3 LYS 19 1HG LYS 19 6.842 -6.034 6.564 169 HD2 LYS 19 2HD LYS 19 7.955 -5.406 8.619 170 HD3 LYS 19 1HD LYS 19 6.754 -6.654 8.959 171 HE2 LYS 19 2HE LYS 19 8.549 -8.351 8.898 172 HE3 LYS 19 1HE LYS 19 9.728 -7.064 8.654 173 HZ1 LYS 19 3HZ LYS 19 9.219 -6.168 10.792 174 HZ2 LYS 19 1HZ LYS 19 9.531 -7.823 10.983 175 HZ3 LYS 19 2HZ LYS 19 7.934 -7.246 11.015 176 H GLU 20 H GLU 20 4.973 -9.836 5.301 177 HA GLU 20 HA GLU 20 5.843 -12.457 5.740 178 HB2 GLU 20 2HB GLU 20 3.425 -11.063 5.425 179 HB3 GLU 20 1HB GLU 20 3.406 -12.320 4.203 180 HG2 GLU 20 2HG GLU 20 3.932 -12.811 7.118 181 HG3 GLU 20 1HG GLU 20 2.351 -12.933 6.355 182 H VAL 21 H VAL 21 4.950 -10.772 2.741 183 HA VAL 21 HA VAL 21 5.441 -12.928 0.991 184 HB VAL 21 HB VAL 21 5.543 -9.958 0.422 185 HG11 VAL 21 1HG1 VAL 21 6.690 -11.243 -1.303 186 HG12 VAL 21 2HG1 VAL 21 5.175 -10.574 -1.912 187 HG13 VAL 21 3HG1 VAL 21 5.275 -12.282 -1.480 188 HG21 VAL 21 3HG2 VAL 21 3.386 -10.666 1.307 189 HG22 VAL 21 1HG2 VAL 21 3.299 -11.954 0.105 190 HG23 VAL 21 2HG2 VAL 21 3.254 -10.266 -0.404 191 H LEU 22 H LEU 22 7.526 -10.302 2.149 192 HA LEU 22 HA LEU 22 9.757 -10.817 0.539 193 HB2 LEU 22 2HB LEU 22 9.459 -8.821 1.984 194 HB3 LEU 22 1HB LEU 22 9.733 -9.823 3.392 195 HG LEU 22 HG LEU 22 12.018 -10.314 2.572 196 HD11 LEU 22 1HD1 LEU 22 11.651 -9.996 0.190 197 HD12 LEU 22 2HD1 LEU 22 12.952 -8.953 0.762 198 HD13 LEU 22 3HD1 LEU 22 11.353 -8.277 0.448 199 HD21 LEU 22 3HD2 LEU 22 11.671 -8.539 4.185 200 HD22 LEU 22 1HD2 LEU 22 11.335 -7.391 2.886 201 HD23 LEU 22 2HD2 LEU 22 12.945 -8.088 3.054 202 H LYS 23 H LYS 23 8.763 -12.192 3.626 203 HA LYS 23 HA LYS 23 11.018 -13.837 4.059 204 HB2 LYS 23 2HB LYS 23 9.013 -13.208 5.608 205 HB3 LYS 23 1HB LYS 23 8.233 -14.596 4.886 206 HG2 LYS 23 2HG LYS 23 10.895 -14.746 6.281 207 HG3 LYS 23 1HG LYS 23 9.349 -15.022 7.084 208 HD2 LYS 23 2HD LYS 23 8.895 -16.810 5.375 209 HD3 LYS 23 1HD LYS 23 10.560 -16.615 4.828 210 HE2 LYS 23 2HE LYS 23 11.352 -17.171 7.078 211 HE3 LYS 23 1HE LYS 23 9.686 -17.381 7.611 212 HZ1 LYS 23 3HZ LYS 23 10.393 -19.521 7.145 213 HZ2 LYS 23 1HZ LYS 23 11.260 -19.061 5.758 214 HZ3 LYS 23 2HZ LYS 23 9.566 -19.094 5.721 215 H LYS 24 H LYS 24 7.855 -14.483 2.625 216 HA LYS 24 HA LYS 24 8.378 -17.154 1.893 217 HB2 LYS 24 2HB LYS 24 6.328 -15.133 1.093 218 HB3 LYS 24 1HB LYS 24 6.430 -16.656 0.222 219 HG2 LYS 24 2HG LYS 24 6.103 -17.881 2.306 220 HG3 LYS 24 1HG LYS 24 6.028 -16.357 3.191 221 HD2 LYS 24 2HD LYS 24 4.006 -15.733 2.125 222 HD3 LYS 24 1HD LYS 24 4.149 -17.035 0.944 223 HE2 LYS 24 2HE LYS 24 2.478 -17.508 2.701 224 HE3 LYS 24 1HE LYS 24 3.782 -18.693 2.659 225 HZ1 LYS 24 3HZ LYS 24 3.147 -17.959 4.915 226 HZ2 LYS 24 1HZ LYS 24 3.673 -16.392 4.535 227 HZ3 LYS 24 2HZ LYS 24 4.783 -17.682 4.563 228 H ALA 25 H ALA 25 9.153 -14.151 0.318 229 HA ALA 25 HA ALA 25 9.693 -15.158 -2.261 230 HB1 ALA 25 1HB ALA 25 10.991 -12.824 -0.857 231 HB2 ALA 25 2HB ALA 25 9.478 -12.763 -1.761 232 HB3 ALA 25 3HB ALA 25 10.988 -13.130 -2.594 233 H LYS 26 H LYS 26 11.514 -15.143 0.719 234 HA LYS 26 HA LYS 26 13.976 -16.024 -0.450 235 HB2 LYS 26 2HB LYS 26 12.950 -16.008 2.391 236 HB3 LYS 26 1HB LYS 26 14.537 -16.628 1.955 237 HG2 LYS 26 2HG LYS 26 15.145 -14.441 1.052 238 HG3 LYS 26 1HG LYS 26 13.553 -13.822 1.493 239 HD2 LYS 26 2HD LYS 26 14.004 -14.098 3.814 240 HD3 LYS 26 1HD LYS 26 15.478 -15.007 3.480 241 HE2 LYS 26 2HE LYS 26 15.031 -12.119 2.731 242 HE3 LYS 26 1HE LYS 26 15.893 -12.658 4.171 243 HZ1 LYS 26 3HZ LYS 26 17.535 -13.719 2.800 244 HZ2 LYS 26 1HZ LYS 26 17.386 -12.103 2.313 245 HZ3 LYS 26 2HZ LYS 26 16.683 -13.340 1.385 246 H GLU 27 H GLU 27 11.096 -17.552 0.790 247 HA GLU 27 HA GLU 27 12.130 -20.207 0.802 248 HB2 GLU 27 2HB GLU 27 9.288 -19.179 0.662 249 HB3 GLU 27 1HB GLU 27 9.717 -20.875 0.850 250 HG2 GLU 27 2HG GLU 27 10.893 -20.304 2.947 251 HG3 GLU 27 1HG GLU 27 10.343 -18.640 2.768 252 H GLY 28 H GLY 28 10.273 -18.283 -1.540 253 HA2 GLY 28 2HA GLY 28 10.764 -18.220 -3.822 254 HA3 GLY 28 1HA GLY 28 11.736 -19.666 -3.634 255 H ASP 29 H ASP 29 8.601 -19.947 -2.290 256 HA ASP 29 HA ASP 29 7.865 -21.850 -4.314 257 HB2 ASP 29 2HB ASP 29 7.202 -22.227 -1.980 258 HB3 ASP 29 1HB ASP 29 6.221 -20.764 -2.017 259 H GLU 30 H GLU 30 6.893 -21.411 -6.156 260 HA GLU 30 HA GLU 30 6.271 -18.679 -6.750 261 HB2 GLU 30 2HB GLU 30 7.426 -20.217 -8.340 262 HB3 GLU 30 1HB GLU 30 5.915 -21.099 -8.517 263 HG2 GLU 30 2HG GLU 30 4.839 -19.112 -9.413 264 HG3 GLU 30 1HG GLU 30 6.332 -18.198 -9.197 265 H GLN 31 H GLN 31 4.410 -21.591 -6.126 266 HA GLN 31 HA GLN 31 1.943 -20.695 -7.167 267 HB2 GLN 31 2HB GLN 31 2.531 -23.051 -6.408 268 HB3 GLN 31 1HB GLN 31 2.262 -22.493 -4.766 269 HG2 GLN 31 2HG GLN 31 -0.047 -21.874 -5.387 270 HG3 GLN 31 1HG GLN 31 0.235 -22.546 -6.991 271 HE21 GLN 31 1HE2 GLN 31 1.483 -23.899 -4.018 272 HE22 GLN 31 2HE2 GLN 31 0.539 -25.349 -4.057 273 H GLU 32 H GLU 32 3.373 -20.492 -3.933 274 HA GLU 32 HA GLU 32 1.258 -19.014 -2.774 275 HB2 GLU 32 2HB GLU 32 3.813 -19.998 -1.962 276 HB3 GLU 32 1HB GLU 32 3.698 -18.303 -1.509 277 HG2 GLU 32 2HG GLU 32 2.944 -19.728 0.290 278 HG3 GLU 32 1HG GLU 32 1.610 -18.756 -0.329 279 H LEU 33 H LEU 33 4.275 -18.027 -4.362 280 HA LEU 33 HA LEU 33 4.042 -15.271 -3.920 281 HB2 LEU 33 2HB LEU 33 5.308 -16.784 -6.199 282 HB3 LEU 33 1HB LEU 33 5.449 -15.049 -6.001 283 HG LEU 33 HG LEU 33 6.453 -17.125 -4.054 284 HD11 LEU 33 1HD1 LEU 33 7.936 -15.307 -5.948 285 HD12 LEU 33 2HD1 LEU 33 7.761 -17.053 -6.107 286 HD13 LEU 33 3HD1 LEU 33 8.672 -16.380 -4.757 287 HD21 LEU 33 3HD2 LEU 33 6.690 -14.117 -4.029 288 HD22 LEU 33 1HD2 LEU 33 7.523 -15.218 -2.931 289 HD23 LEU 33 2HD2 LEU 33 5.764 -15.108 -2.899 290 H ALA 34 H ALA 34 2.659 -17.331 -6.428 291 HA ALA 34 HA ALA 34 1.564 -15.308 -8.043 292 HB1 ALA 34 1HB ALA 34 1.721 -17.668 -8.730 293 HB2 ALA 34 2HB ALA 34 0.091 -17.021 -8.925 294 HB3 ALA 34 3HB ALA 34 0.463 -18.076 -7.562 295 H ARG 35 H ARG 35 0.304 -16.970 -5.192 296 HA ARG 35 HA ARG 35 -2.216 -15.668 -5.145 297 HB2 ARG 35 2HB ARG 35 -1.833 -17.688 -3.843 298 HB3 ARG 35 1HB ARG 35 -0.574 -16.891 -2.915 299 HG2 ARG 35 2HG ARG 35 -2.305 -15.301 -2.078 300 HG3 ARG 35 1HG ARG 35 -3.523 -16.298 -2.872 301 HD2 ARG 35 2HD ARG 35 -1.580 -17.314 -0.805 302 HD3 ARG 35 1HD ARG 35 -3.214 -16.766 -0.439 303 HE ARG 35 HE ARG 35 -3.424 -18.700 -2.423 304 HH11 ARG 35 1HH1 ARG 35 -2.319 -18.510 0.889 305 HH12 ARG 35 2HH1 ARG 35 -2.755 -20.147 1.272 306 HH21 ARG 35 1HH2 ARG 35 -4.030 -20.844 -1.937 307 HH22 ARG 35 2HH2 ARG 35 -3.740 -21.482 -0.341 308 H LEU 36 H LEU 36 0.838 -15.070 -3.483 309 HA LEU 36 HA LEU 36 0.043 -12.887 -1.937 310 HB2 LEU 36 2HB LEU 36 2.776 -13.482 -3.072 311 HB3 LEU 36 1HB LEU 36 2.441 -12.371 -1.760 312 HG LEU 36 HG LEU 36 1.944 -15.346 -1.673 313 HD11 LEU 36 1HD1 LEU 36 3.845 -15.398 -0.135 314 HD12 LEU 36 2HD1 LEU 36 4.125 -13.684 -0.427 315 HD13 LEU 36 3HD1 LEU 36 4.318 -14.844 -1.740 316 HD21 LEU 36 3HD2 LEU 36 1.800 -13.270 0.508 317 HD22 LEU 36 1HD2 LEU 36 1.541 -15.004 0.696 318 HD23 LEU 36 2HD2 LEU 36 0.415 -14.044 -0.263 319 H ASN 37 H ASN 37 1.586 -12.936 -5.141 320 HA ASN 37 HA ASN 37 2.010 -10.200 -5.431 321 HB2 ASN 37 2HB ASN 37 2.803 -12.131 -6.917 322 HB3 ASN 37 1HB ASN 37 1.233 -12.030 -7.701 323 HD21 ASN 37 1HD2 ASN 37 1.146 -9.071 -7.457 324 HD22 ASN 37 2HD2 ASN 37 2.247 -8.497 -8.661 325 H GLN 38 H GLN 38 -0.808 -12.130 -6.479 326 HA GLN 38 HA GLN 38 -2.244 -9.939 -7.503 327 HB2 GLN 38 2HB GLN 38 -3.139 -12.672 -6.598 328 HB3 GLN 38 1HB GLN 38 -4.100 -11.550 -7.521 329 HG2 GLN 38 2HG GLN 38 -1.521 -12.779 -8.427 330 HG3 GLN 38 1HG GLN 38 -3.131 -13.295 -8.918 331 HE21 GLN 38 1HE2 GLN 38 -2.716 -12.925 -11.076 332 HE22 GLN 38 2HE2 GLN 38 -2.585 -11.330 -11.739 333 H GLU 39 H GLU 39 -2.096 -11.519 -4.378 334 HA GLU 39 HA GLU 39 -4.416 -10.294 -3.304 335 HB2 GLU 39 2HB GLU 39 -3.190 -12.403 -2.498 336 HB3 GLU 39 1HB GLU 39 -2.088 -11.304 -1.681 337 HG2 GLU 39 2HG GLU 39 -3.777 -10.495 -0.265 338 HG3 GLU 39 1HG GLU 39 -5.053 -11.208 -1.251 339 H ILE 40 H ILE 40 -0.988 -9.423 -3.341 340 HA ILE 40 HA ILE 40 -1.171 -7.142 -1.690 341 HB ILE 40 HB ILE 40 0.677 -7.662 -4.029 342 HG12 ILE 40 2HG1 ILE 40 1.151 -7.898 -1.046 343 HG13 ILE 40 1HG1 ILE 40 0.897 -9.253 -2.145 344 HG21 ILE 40 1HG2 ILE 40 2.078 -5.873 -3.115 345 HG22 ILE 40 2HG2 ILE 40 0.853 -5.536 -1.894 346 HG23 ILE 40 3HG2 ILE 40 0.495 -5.271 -3.601 347 HD11 ILE 40 3HD1 ILE 40 3.174 -7.289 -2.316 348 HD12 ILE 40 1HD1 ILE 40 2.934 -8.715 -3.325 349 HD13 ILE 40 2HD1 ILE 40 3.264 -8.902 -1.600 350 H VAL 41 H VAL 41 -1.572 -7.565 -5.192 351 HA VAL 41 HA VAL 41 -2.050 -4.895 -5.876 352 HB VAL 41 HB VAL 41 -3.203 -7.391 -7.136 353 HG11 VAL 41 1HG1 VAL 41 -3.009 -4.589 -8.239 354 HG12 VAL 41 2HG1 VAL 41 -4.490 -5.430 -7.782 355 HG13 VAL 41 3HG1 VAL 41 -3.528 -6.015 -9.140 356 HG21 VAL 41 3HG2 VAL 41 -1.387 -7.122 -8.766 357 HG22 VAL 41 1HG2 VAL 41 -0.778 -7.391 -7.133 358 HG23 VAL 41 2HG2 VAL 41 -0.758 -5.769 -7.825 359 H LYS 42 H LYS 42 -4.332 -7.454 -4.934 360 HA LYS 42 HA LYS 42 -6.642 -5.839 -5.060 361 HB2 LYS 42 2HB LYS 42 -6.793 -8.267 -5.030 362 HB3 LYS 42 1HB LYS 42 -6.119 -8.313 -3.405 363 HG2 LYS 42 2HG LYS 42 -8.059 -7.138 -2.543 364 HG3 LYS 42 1HG LYS 42 -8.723 -7.012 -4.171 365 HD2 LYS 42 2HD LYS 42 -8.873 -9.441 -4.306 366 HD3 LYS 42 1HD LYS 42 -8.184 -9.579 -2.685 367 HE2 LYS 42 2HE LYS 42 -10.082 -8.404 -1.746 368 HE3 LYS 42 1HE LYS 42 -10.756 -8.149 -3.354 369 HZ1 LYS 42 3HZ LYS 42 -11.804 -9.993 -2.154 370 HZ2 LYS 42 1HZ LYS 42 -10.317 -10.810 -2.100 371 HZ3 LYS 42 2HZ LYS 42 -11.065 -10.507 -3.596 372 H ALA 43 H ALA 43 -4.470 -6.629 -2.369 373 HA ALA 43 HA ALA 43 -5.901 -5.352 -0.330 374 HB1 ALA 43 1HB ALA 43 -4.044 -6.906 0.070 375 HB2 ALA 43 2HB ALA 43 -3.827 -5.385 0.934 376 HB3 ALA 43 3HB ALA 43 -2.911 -5.700 -0.540 377 H GLU 44 H GLU 44 -3.328 -4.119 -2.436 378 HA GLU 44 HA GLU 44 -3.217 -1.527 -1.356 379 HB2 GLU 44 2HB GLU 44 -1.510 -2.512 -2.876 380 HB3 GLU 44 1HB GLU 44 -2.656 -2.387 -4.203 381 HG2 GLU 44 2HG GLU 44 -1.177 -0.557 -4.386 382 HG3 GLU 44 1HG GLU 44 -2.716 0.078 -3.811 383 H LYS 45 H LYS 45 -5.063 -2.866 -4.078 384 HA LYS 45 HA LYS 45 -6.357 -0.516 -4.888 385 HB2 LYS 45 2HB LYS 45 -6.375 -2.591 -6.212 386 HB3 LYS 45 1HB LYS 45 -7.354 -3.375 -4.981 387 HG2 LYS 45 2HG LYS 45 -9.096 -1.591 -5.418 388 HG3 LYS 45 1HG LYS 45 -8.147 -1.151 -6.838 389 HD2 LYS 45 2HD LYS 45 -9.291 -3.888 -6.285 390 HD3 LYS 45 1HD LYS 45 -9.998 -2.690 -7.370 391 HE2 LYS 45 2HE LYS 45 -7.968 -2.756 -8.745 392 HE3 LYS 45 1HE LYS 45 -7.278 -3.966 -7.663 393 HZ1 LYS 45 3HZ LYS 45 -9.772 -4.298 -9.238 394 HZ2 LYS 45 1HZ LYS 45 -9.063 -5.473 -8.238 395 HZ3 LYS 45 2HZ LYS 45 -8.264 -4.956 -9.649 396 H GLN 46 H GLN 46 -7.193 -2.918 -2.448 397 HA GLN 46 HA GLN 46 -9.751 -2.026 -1.768 398 HB2 GLN 46 2HB GLN 46 -8.157 -4.061 -0.950 399 HB3 GLN 46 1HB GLN 46 -8.021 -2.995 0.438 400 HG2 GLN 46 2HG GLN 46 -9.781 -4.537 0.862 401 HG3 GLN 46 1HG GLN 46 -10.505 -2.955 0.570 402 HE21 GLN 46 1HE2 GLN 46 -12.475 -3.865 0.005 403 HE22 GLN 46 2HE2 GLN 46 -12.716 -4.675 -1.502 404 H GLY 47 H GLY 47 -6.565 -1.094 -0.536 405 HA2 GLY 47 2HA GLY 47 -7.515 0.850 1.309 406 HA3 GLY 47 1HA GLY 47 -5.874 0.724 0.688 407 H VAL 48 H VAL 48 -6.410 1.022 -2.043 408 HA VAL 48 HA VAL 48 -6.395 3.785 -2.379 409 HB VAL 48 HB VAL 48 -7.074 1.619 -4.380 410 HG11 VAL 48 1HG1 VAL 48 -6.428 4.521 -4.911 411 HG12 VAL 48 2HG1 VAL 48 -8.003 3.758 -5.126 412 HG13 VAL 48 3HG1 VAL 48 -6.641 3.266 -6.131 413 HG21 VAL 48 3HG2 VAL 48 -4.783 1.967 -5.153 414 HG22 VAL 48 1HG2 VAL 48 -4.821 1.493 -3.455 415 HG23 VAL 48 2HG2 VAL 48 -4.539 3.178 -3.895 416 H LYS 49 H LYS 49 -9.078 1.495 -2.648 417 HA LYS 49 HA LYS 49 -11.022 3.267 -3.624 418 HB2 LYS 49 2HB LYS 49 -10.995 0.632 -3.116 419 HB3 LYS 49 1HB LYS 49 -11.837 1.166 -1.671 420 HG2 LYS 49 2HG LYS 49 -12.712 1.799 -4.480 421 HG3 LYS 49 1HG LYS 49 -13.339 0.471 -3.507 422 HD2 LYS 49 2HD LYS 49 -14.106 2.103 -1.826 423 HD3 LYS 49 1HD LYS 49 -13.531 3.411 -2.861 424 HE2 LYS 49 2HE LYS 49 -15.929 3.092 -3.136 425 HE3 LYS 49 1HE LYS 49 -15.073 2.693 -4.625 426 HZ1 LYS 49 3HZ LYS 49 -16.823 1.075 -4.038 427 HZ2 LYS 49 1HZ LYS 49 -15.978 0.695 -2.621 428 HZ3 LYS 49 2HZ LYS 49 -15.286 0.365 -4.133 429 H VAL 50 H VAL 50 -9.992 2.531 -0.317 430 HA VAL 50 HA VAL 50 -11.976 4.140 0.950 431 HB VAL 50 HB VAL 50 -9.305 3.217 2.036 432 HG11 VAL 50 1HG1 VAL 50 -11.776 4.155 3.487 433 HG12 VAL 50 2HG1 VAL 50 -10.272 5.059 3.320 434 HG13 VAL 50 3HG1 VAL 50 -10.298 3.552 4.236 435 HG21 VAL 50 3HG2 VAL 50 -10.587 1.395 3.067 436 HG22 VAL 50 1HG2 VAL 50 -10.657 1.336 1.306 437 HG23 VAL 50 2HG2 VAL 50 -12.035 1.945 2.224 438 H TYR 51 H TYR 51 -8.595 4.674 0.011 439 HA TYR 51 HA TYR 51 -8.412 7.288 1.070 440 HB2 TYR 51 2HB TYR 51 -6.843 5.733 -0.950 441 HB3 TYR 51 1HB TYR 51 -6.563 7.465 -0.800 442 HD1 TYR 51 2HD TYR 51 -6.477 4.262 1.076 443 HD2 TYR 51 1HD TYR 51 -5.283 8.340 0.969 444 HE1 TYR 51 2HE TYR 51 -4.972 3.863 2.980 445 HE2 TYR 51 1HE TYR 51 -3.776 7.958 2.873 446 HH TYR 51 HH TYR 51 -2.971 4.844 3.987 447 H LYS 52 H LYS 52 -9.439 6.061 -2.085 448 HA LYS 52 HA LYS 52 -9.831 8.505 -3.393 449 HB2 LYS 52 2HB LYS 52 -11.162 5.820 -3.620 450 HB3 LYS 52 1HB LYS 52 -11.739 7.181 -4.569 451 HG2 LYS 52 2HG LYS 52 -8.902 6.179 -4.607 452 HG3 LYS 52 1HG LYS 52 -10.145 5.706 -5.768 453 HD2 LYS 52 2HD LYS 52 -10.373 7.978 -6.525 454 HD3 LYS 52 1HD LYS 52 -9.285 8.554 -5.260 455 HE2 LYS 52 2HE LYS 52 -7.446 7.304 -6.263 456 HE3 LYS 52 1HE LYS 52 -8.532 6.686 -7.508 457 HZ1 LYS 52 3HZ LYS 52 -7.130 8.616 -8.188 458 HZ2 LYS 52 1HZ LYS 52 -7.997 9.580 -7.098 459 HZ3 LYS 52 2HZ LYS 52 -8.794 8.849 -8.408 460 H GLU 53 H GLU 53 -12.000 6.642 -1.332 461 HA GLU 53 HA GLU 53 -14.204 8.337 -1.368 462 HB2 GLU 53 2HB GLU 53 -13.109 6.323 0.557 463 HB3 GLU 53 1HB GLU 53 -14.514 7.270 0.995 464 HG2 GLU 53 2HG GLU 53 -14.347 5.628 -1.512 465 HG3 GLU 53 1HG GLU 53 -14.984 5.017 0.014 466 H ALA 54 H ALA 54 -11.399 8.255 0.803 467 HA ALA 54 HA ALA 54 -12.391 10.317 2.490 468 HB1 ALA 54 1HB ALA 54 -10.843 8.583 3.276 469 HB2 ALA 54 2HB ALA 54 -10.249 10.211 3.601 470 HB3 ALA 54 3HB ALA 54 -9.577 9.277 2.265 471 H ALA 55 H ALA 55 -10.210 10.314 -0.277 472 HA ALA 55 HA ALA 55 -8.958 12.770 0.135 473 HB1 ALA 55 1HB ALA 55 -8.430 12.754 -2.230 474 HB2 ALA 55 2HB ALA 55 -9.680 11.546 -2.525 475 HB3 ALA 55 3HB ALA 55 -8.261 11.130 -1.565 476 H GLU 56 H GLU 56 -12.048 12.071 -1.448 477 HA GLU 56 HA GLU 56 -12.353 14.932 -1.986 478 HB2 GLU 56 2HB GLU 56 -13.981 12.586 -2.966 479 HB3 GLU 56 1HB GLU 56 -14.266 14.267 -3.400 480 HG2 GLU 56 2HG GLU 56 -11.894 14.318 -4.265 481 HG3 GLU 56 1HG GLU 56 -11.882 12.566 -4.074 482 H LYS 57 H LYS 57 -12.940 12.950 0.479 483 HA LYS 57 HA LYS 57 -15.342 14.411 1.317 484 HB2 LYS 57 2HB LYS 57 -14.097 11.847 2.226 485 HB3 LYS 57 1HB LYS 57 -15.213 12.718 3.259 486 HG2 LYS 57 2HG LYS 57 -16.927 12.563 1.510 487 HG3 LYS 57 1HG LYS 57 -15.797 11.648 0.510 488 HD2 LYS 57 2HD LYS 57 -15.703 9.886 2.154 489 HD3 LYS 57 1HD LYS 57 -16.716 10.818 3.258 490 HE2 LYS 57 2HE LYS 57 -17.561 9.843 0.533 491 HE3 LYS 57 1HE LYS 57 -17.956 9.050 2.057 492 HZ1 LYS 57 3HZ LYS 57 -19.778 10.419 1.317 493 HZ2 LYS 57 1HZ LYS 57 -18.781 11.793 1.249 494 HZ3 LYS 57 2HZ LYS 57 -19.130 11.066 2.743 495 H ALA 58 H ALA 58 -12.055 14.540 1.471 496 HA ALA 58 HA ALA 58 -11.351 15.038 4.080 497 HB1 ALA 58 1HB ALA 58 -9.747 14.915 2.234 498 HB2 ALA 58 2HB ALA 58 -9.505 16.363 3.208 499 HB3 ALA 58 3HB ALA 58 -10.310 16.478 1.644 500 H ARG 59 H ARG 59 -11.446 16.687 5.459 501 HA ARG 59 HA ARG 59 -13.616 18.554 5.024 502 HB2 ARG 59 2HB ARG 59 -11.886 17.975 7.435 503 HB3 ARG 59 1HB ARG 59 -13.276 19.053 7.437 504 HG2 ARG 59 2HG ARG 59 -14.788 17.331 7.251 505 HG3 ARG 59 1HG ARG 59 -13.612 16.233 6.527 506 HD2 ARG 59 2HD ARG 59 -14.223 15.628 8.851 507 HD3 ARG 59 1HD ARG 59 -12.502 15.945 8.639 508 HE ARG 59 HE ARG 59 -14.156 18.153 9.592 509 HH11 ARG 59 1HH1 ARG 59 -11.875 15.584 10.334 510 HH12 ARG 59 2HH1 ARG 59 -11.409 16.293 11.856 511 HH21 ARG 59 1HH2 ARG 59 -13.524 19.071 11.571 512 HH22 ARG 59 2HH2 ARG 59 -12.337 18.274 12.564 513 H ASN 60 H ASN 60 -10.393 18.613 4.385 514 HA ASN 60 HA ASN 60 -10.315 21.521 4.368 515 HB2 ASN 60 2HB ASN 60 -9.335 21.140 6.496 516 HB3 ASN 60 1HB ASN 60 -8.404 19.766 5.911 517 HD21 ASN 60 1HD2 ASN 60 -8.642 23.244 6.014 518 HD22 ASN 60 2HD2 ASN 60 -7.012 23.552 5.506 519 HA PRO 61 HA PRO 61 -8.741 20.759 0.320 520 HB2 PRO 61 2HB PRO 61 -7.210 23.074 0.094 521 HB3 PRO 61 1HB PRO 61 -8.932 22.939 -0.268 522 HG2 PRO 61 2HG PRO 61 -7.585 23.940 2.199 523 HG3 PRO 61 1HG PRO 61 -9.044 24.545 1.393 524 HD2 PRO 61 2HD PRO 61 -9.198 23.076 3.623 525 HD3 PRO 61 1HD PRO 61 -10.388 22.885 2.315 526 H GLU 62 H GLU 62 -6.374 21.946 2.700 527 HA GLU 62 HA GLU 62 -4.022 21.140 1.427 528 HB2 GLU 62 2HB GLU 62 -4.221 22.559 3.469 529 HB3 GLU 62 1HB GLU 62 -4.599 21.121 4.381 530 HG2 GLU 62 2HG GLU 62 -2.396 20.195 3.795 531 HG3 GLU 62 1HG GLU 62 -2.013 21.706 2.967 532 H LYS 63 H LYS 63 -6.118 19.481 3.677 533 HA LYS 63 HA LYS 63 -4.639 17.084 3.861 534 HB2 LYS 63 2HB LYS 63 -7.625 17.357 4.236 535 HB3 LYS 63 1HB LYS 63 -6.571 16.140 4.940 536 HG2 LYS 63 2HG LYS 63 -6.729 19.061 5.612 537 HG3 LYS 63 1HG LYS 63 -7.058 17.678 6.658 538 HD2 LYS 63 2HD LYS 63 -4.739 17.065 6.676 539 HD3 LYS 63 1HD LYS 63 -4.359 18.291 5.464 540 HE2 LYS 63 2HE LYS 63 -5.145 20.018 7.100 541 HE3 LYS 63 1HE LYS 63 -5.259 18.733 8.304 542 HZ1 LYS 63 3HZ LYS 63 -2.839 19.804 6.981 543 HZ2 LYS 63 1HZ LYS 63 -2.838 18.274 7.723 544 HZ3 LYS 63 2HZ LYS 63 -3.167 19.662 8.639 545 H ARG 64 H ARG 64 -7.229 18.123 1.709 546 HA ARG 64 HA ARG 64 -7.694 15.730 0.358 547 HB2 ARG 64 2HB ARG 64 -9.136 17.594 -0.077 548 HB3 ARG 64 1HB ARG 64 -7.790 18.587 -0.620 549 HG2 ARG 64 2HG ARG 64 -7.492 17.117 -2.556 550 HG3 ARG 64 1HG ARG 64 -8.860 16.142 -2.018 551 HD2 ARG 64 2HD ARG 64 -9.094 19.086 -2.568 552 HD3 ARG 64 1HD ARG 64 -9.304 17.875 -3.829 553 HE ARG 64 HE ARG 64 -10.960 17.834 -1.386 554 HH11 ARG 64 1HH1 ARG 64 -10.638 17.951 -4.880 555 HH12 ARG 64 2HH1 ARG 64 -12.343 17.710 -5.165 556 HH21 ARG 64 1HH2 ARG 64 -13.205 17.527 -1.778 557 HH22 ARG 64 2HH2 ARG 64 -13.787 17.480 -3.416 558 H GLN 65 H GLN 65 -5.298 18.269 -0.285 559 HA GLN 65 HA GLN 65 -4.153 17.190 -2.579 560 HB2 GLN 65 2HB GLN 65 -2.846 18.809 -0.385 561 HB3 GLN 65 1HB GLN 65 -2.252 18.615 -2.019 562 HG2 GLN 65 2HG GLN 65 -4.124 19.818 -2.914 563 HG3 GLN 65 1HG GLN 65 -4.872 19.900 -1.320 564 HE21 GLN 65 1HE2 GLN 65 -2.313 21.084 -3.347 565 HE22 GLN 65 2HE2 GLN 65 -1.921 22.473 -2.388 566 H VAL 66 H VAL 66 -3.346 16.726 0.836 567 HA VAL 66 HA VAL 66 -1.072 15.128 0.463 568 HB VAL 66 HB VAL 66 -3.028 15.056 2.769 569 HG11 VAL 66 1HG1 VAL 66 -0.158 14.142 2.594 570 HG12 VAL 66 2HG1 VAL 66 -1.579 13.111 2.765 571 HG13 VAL 66 3HG1 VAL 66 -1.124 14.208 4.070 572 HG21 VAL 66 3HG2 VAL 66 -0.515 16.686 2.396 573 HG22 VAL 66 1HG2 VAL 66 -1.492 16.619 3.863 574 HG23 VAL 66 2HG2 VAL 66 -2.166 17.303 2.385 575 H ILE 67 H ILE 67 -4.444 14.158 1.126 576 HA ILE 67 HA ILE 67 -3.957 11.383 0.988 577 HB ILE 67 HB ILE 67 -6.563 12.817 0.443 578 HG12 ILE 67 2HG1 ILE 67 -5.463 11.687 3.028 579 HG13 ILE 67 1HG1 ILE 67 -5.563 13.400 2.634 580 HG21 ILE 67 1HG2 ILE 67 -6.026 9.971 1.299 581 HG22 ILE 67 2HG2 ILE 67 -6.555 10.481 -0.304 582 HG23 ILE 67 3HG2 ILE 67 -7.614 10.709 1.088 583 HD11 ILE 67 3HD1 ILE 67 -7.989 13.252 2.570 584 HD12 ILE 67 1HD1 ILE 67 -7.358 12.704 4.121 585 HD13 ILE 67 2HD1 ILE 67 -7.903 11.528 2.927 586 H ASP 68 H ASP 68 -4.900 13.747 -1.442 587 HA ASP 68 HA ASP 68 -5.521 11.967 -3.537 588 HB2 ASP 68 2HB ASP 68 -6.151 14.345 -3.560 589 HB3 ASP 68 1HB ASP 68 -4.458 14.799 -3.672 590 H LYS 69 H LYS 69 -2.507 13.688 -2.782 591 HA LYS 69 HA LYS 69 -1.097 12.497 -4.947 592 HB2 LYS 69 2HB LYS 69 -0.246 14.100 -2.560 593 HB3 LYS 69 1HB LYS 69 0.937 13.407 -3.671 594 HG2 LYS 69 2HG LYS 69 -0.060 14.602 -5.527 595 HG3 LYS 69 1HG LYS 69 -1.319 15.240 -4.471 596 HD2 LYS 69 2HD LYS 69 0.255 16.568 -3.273 597 HD3 LYS 69 1HD LYS 69 1.617 15.771 -4.065 598 HE2 LYS 69 2HE LYS 69 1.133 18.011 -4.997 599 HE3 LYS 69 1HE LYS 69 1.006 16.720 -6.190 600 HZ1 LYS 69 3HZ LYS 69 -1.425 16.758 -5.850 601 HZ2 LYS 69 1HZ LYS 69 -0.821 18.224 -6.449 602 HZ3 LYS 69 2HZ LYS 69 -1.243 18.090 -4.818 603 H ILE 70 H ILE 70 -1.463 11.605 -1.546 604 HA ILE 70 HA ILE 70 0.372 9.440 -1.610 605 HB ILE 70 HB ILE 70 -2.116 9.857 0.061 606 HG12 ILE 70 2HG1 ILE 70 0.829 10.078 0.735 607 HG13 ILE 70 1HG1 ILE 70 -0.262 11.432 0.459 608 HG21 ILE 70 1HG2 ILE 70 -0.009 7.723 0.383 609 HG22 ILE 70 2HG2 ILE 70 -1.664 7.460 -0.162 610 HG23 ILE 70 3HG2 ILE 70 -1.359 8.027 1.479 611 HD11 ILE 70 3HD1 ILE 70 -1.575 10.769 2.408 612 HD12 ILE 70 1HD1 ILE 70 0.109 11.077 2.828 613 HD13 ILE 70 2HD1 ILE 70 -0.475 9.419 2.685 614 H LEU 71 H LEU 71 -3.022 9.775 -2.448 615 HA LEU 71 HA LEU 71 -3.699 7.156 -3.061 616 HB2 LEU 71 2HB LEU 71 -4.662 9.828 -3.671 617 HB3 LEU 71 1HB LEU 71 -4.942 8.722 -4.997 618 HG LEU 71 HG LEU 71 -5.848 8.252 -2.163 619 HD11 LEU 71 1HD1 LEU 71 -7.394 9.196 -4.575 620 HD12 LEU 71 2HD1 LEU 71 -6.977 10.173 -3.167 621 HD13 LEU 71 3HD1 LEU 71 -8.075 8.803 -2.997 622 HD21 LEU 71 3HD2 LEU 71 -5.485 6.202 -3.430 623 HD22 LEU 71 1HD2 LEU 71 -6.479 6.825 -4.747 624 HD23 LEU 71 2HD2 LEU 71 -7.208 6.486 -3.178 625 H GLU 72 H GLU 72 -2.024 9.581 -4.992 626 HA GLU 72 HA GLU 72 -1.936 8.280 -7.454 627 HB2 GLU 72 2HB GLU 72 -1.200 10.592 -7.116 628 HB3 GLU 72 1HB GLU 72 0.143 10.040 -6.134 629 HG2 GLU 72 2HG GLU 72 0.909 8.750 -8.182 630 HG3 GLU 72 1HG GLU 72 -0.253 9.721 -9.086 631 H ASP 73 H ASP 73 0.280 8.118 -4.705 632 HA ASP 73 HA ASP 73 2.122 6.395 -5.988 633 HB2 ASP 73 2HB ASP 73 1.724 7.159 -3.108 634 HB3 ASP 73 1HB ASP 73 2.921 5.956 -3.583 635 H GLU 74 H GLU 74 -0.655 5.752 -3.899 636 HA GLU 74 HA GLU 74 -0.126 2.966 -3.674 637 HB2 GLU 74 2HB GLU 74 -2.776 4.392 -3.425 638 HB3 GLU 74 1HB GLU 74 -2.406 2.774 -2.843 639 HG2 GLU 74 2HG GLU 74 -1.098 5.306 -1.874 640 HG3 GLU 74 1HG GLU 74 -2.414 4.467 -1.061 641 H GLU 75 H GLU 75 -2.234 4.848 -5.827 642 HA GLU 75 HA GLU 75 -3.170 2.837 -7.481 643 HB2 GLU 75 2HB GLU 75 -4.122 4.956 -7.657 644 HB3 GLU 75 1HB GLU 75 -2.569 5.756 -7.671 645 HG2 GLU 75 2HG GLU 75 -2.664 4.236 -10.012 646 HG3 GLU 75 1HG GLU 75 -4.238 5.016 -9.828 647 H LYS 76 H LYS 76 -0.162 4.608 -7.454 648 HA LYS 76 HA LYS 76 0.981 3.613 -9.852 649 HB2 LYS 76 2HB LYS 76 1.581 5.674 -8.482 650 HB3 LYS 76 1HB LYS 76 2.404 4.596 -7.371 651 HG2 LYS 76 2HG LYS 76 3.924 3.923 -9.169 652 HG3 LYS 76 1HG LYS 76 3.099 5.038 -10.267 653 HD2 LYS 76 2HD LYS 76 4.589 5.750 -7.737 654 HD3 LYS 76 1HD LYS 76 5.069 6.127 -9.396 655 HE2 LYS 76 2HE LYS 76 3.278 7.657 -9.666 656 HE3 LYS 76 1HE LYS 76 2.479 7.092 -8.201 657 HZ1 LYS 76 3HZ LYS 76 5.082 8.527 -8.274 658 HZ2 LYS 76 1HZ LYS 76 4.239 8.050 -6.876 659 HZ3 LYS 76 2HZ LYS 76 3.585 9.239 -7.899 660 H HIS 77 H HIS 77 1.078 2.530 -6.483 661 HA HIS 77 HA HIS 77 3.107 0.594 -6.784 662 HB2 HIS 77 2HB HIS 77 0.844 0.791 -4.793 663 HB3 HIS 77 1HB HIS 77 2.128 -0.405 -4.690 664 HD2 HIS 77 2HD HIS 77 4.352 2.110 -5.632 665 HE1 HIS 77 1HE HIS 77 3.456 3.276 -1.670 666 HE2 HIS 77 2HE HIS 77 4.934 3.704 -3.673 667 H ILE 78 H ILE 78 -0.371 0.477 -7.247 668 HA ILE 78 HA ILE 78 -0.661 -2.286 -7.659 669 HB ILE 78 HB ILE 78 -2.181 -0.021 -8.967 670 HG12 ILE 78 2HG1 ILE 78 -2.839 -1.640 -6.502 671 HG13 ILE 78 1HG1 ILE 78 -2.219 0.007 -6.488 672 HG21 ILE 78 1HG2 ILE 78 -3.975 -1.684 -9.274 673 HG22 ILE 78 2HG2 ILE 78 -2.887 -2.940 -8.686 674 HG23 ILE 78 3HG2 ILE 78 -2.520 -2.087 -10.185 675 HD11 ILE 78 3HD1 ILE 78 -4.235 0.762 -7.653 676 HD12 ILE 78 1HD1 ILE 78 -4.610 -0.020 -6.117 677 HD13 ILE 78 2HD1 ILE 78 -4.854 -0.891 -7.632 678 H GLU 79 H GLU 79 0.135 0.355 -9.855 679 HA GLU 79 HA GLU 79 0.216 -1.048 -12.253 680 HB2 GLU 79 2HB GLU 79 1.757 1.373 -11.318 681 HB3 GLU 79 1HB GLU 79 1.726 0.822 -12.978 682 HG2 GLU 79 2HG GLU 79 -0.603 1.799 -11.362 683 HG3 GLU 79 1HG GLU 79 0.176 2.622 -12.714 684 H TRP 80 H TRP 80 2.727 -0.526 -9.809 685 HA TRP 80 HA TRP 80 4.869 -1.660 -11.250 686 HB2 TRP 80 2HB TRP 80 4.426 -1.486 -8.261 687 HB3 TRP 80 1HB TRP 80 5.949 -1.929 -9.020 688 HD1 TRP 80 HD TRP 80 4.936 0.636 -11.239 689 HE1 TRP 80 1HE TRP 80 5.810 2.960 -10.556 690 HE3 TRP 80 3HE TRP 80 6.205 -0.382 -6.393 691 HZ2 TRP 80 2HZ TRP 80 6.898 4.191 -8.253 692 HZ3 TRP 80 3HZ TRP 80 7.156 1.421 -5.014 693 HH2 TRP 80 HH TRP 80 7.497 3.661 -5.929 694 H HIS 81 H HIS 81 2.608 -3.067 -8.915 695 HA HIS 81 HA HIS 81 3.820 -5.635 -8.943 696 HB2 HIS 81 2HB HIS 81 1.403 -4.432 -7.751 697 HB3 HIS 81 1HB HIS 81 1.351 -6.175 -8.012 698 HD1 HIS 81 1HD HIS 81 3.450 -3.573 -6.185 699 HD2 HIS 81 2HD HIS 81 2.735 -7.665 -6.227 700 HE1 HIS 81 1HE HIS 81 4.706 -4.540 -4.209 701 H LYS 82 H LYS 82 1.303 -4.129 -10.836 702 HA LYS 82 HA LYS 82 0.220 -6.424 -12.032 703 HB2 LYS 82 2HB LYS 82 -0.737 -4.119 -12.163 704 HB3 LYS 82 1HB LYS 82 0.557 -3.680 -13.266 705 HG2 LYS 82 2HG LYS 82 -1.284 -5.956 -13.912 706 HG3 LYS 82 1HG LYS 82 -1.768 -4.288 -14.214 707 HD2 LYS 82 2HD LYS 82 0.231 -3.976 -15.610 708 HD3 LYS 82 1HD LYS 82 0.684 -5.656 -15.321 709 HE2 LYS 82 2HE LYS 82 -1.402 -6.390 -16.379 710 HE3 LYS 82 1HE LYS 82 -1.839 -4.707 -16.675 711 HZ1 LYS 82 3HZ LYS 82 0.470 -6.181 -17.835 712 HZ2 LYS 82 1HZ LYS 82 0.208 -4.514 -18.027 713 HZ3 LYS 82 2HZ LYS 82 -0.906 -5.629 -18.654 714 H ALA 83 H ALA 83 2.945 -4.368 -12.995 715 HA ALA 83 HA ALA 83 3.509 -5.815 -15.386 716 HB1 ALA 83 1HB ALA 83 4.160 -3.485 -15.123 717 HB2 ALA 83 2HB ALA 83 5.573 -4.491 -15.445 718 HB3 ALA 83 3HB ALA 83 5.250 -3.922 -13.808 719 H ALA 84 H ALA 84 4.639 -6.021 -12.078 720 HA ALA 84 HA ALA 84 6.855 -7.731 -12.587 721 HB1 ALA 84 1HB ALA 84 6.909 -8.050 -10.164 722 HB2 ALA 84 2HB ALA 84 5.339 -7.255 -10.027 723 HB3 ALA 84 3HB ALA 84 6.741 -6.347 -10.592 724 H SER 85 H SER 85 3.465 -8.280 -12.108 725 HA SER 85 HA SER 85 3.555 -10.866 -11.021 726 HB2 SER 85 2HB SER 85 1.586 -9.308 -10.999 727 HB3 SER 85 1HB SER 85 1.334 -9.688 -12.700 728 HG SER 85 HG SER 85 0.675 -11.117 -10.485 729 H LYS 86 H LYS 86 4.888 -12.250 -12.118 730 HA LYS 86 HA LYS 86 3.651 -13.542 -14.394 731 HB2 LYS 86 2HB LYS 86 6.376 -12.286 -14.536 732 HB3 LYS 86 1HB LYS 86 6.021 -13.737 -15.460 733 HG2 LYS 86 2HG LYS 86 4.049 -12.454 -16.419 734 HG3 LYS 86 1HG LYS 86 4.798 -11.016 -15.720 735 HD2 LYS 86 2HD LYS 86 5.452 -11.291 -18.056 736 HD3 LYS 86 1HD LYS 86 6.845 -11.468 -16.986 737 HE2 LYS 86 2HE LYS 86 6.663 -13.900 -17.141 738 HE3 LYS 86 1HE LYS 86 5.257 -13.734 -18.191 739 HZ1 LYS 86 3HZ LYS 86 7.962 -12.689 -18.838 740 HZ2 LYS 86 1HZ LYS 86 6.610 -12.718 -19.862 741 HZ3 LYS 86 2HZ LYS 86 7.352 -14.168 -19.392 742 H GLN 87 H GLN 87 5.239 -15.509 -15.000 743 HA GLN 87 HA GLN 87 5.593 -16.994 -12.551 744 HB2 GLN 87 2HB GLN 87 6.339 -17.872 -15.346 745 HB3 GLN 87 1HB GLN 87 6.092 -18.895 -13.940 746 HG2 GLN 87 2HG GLN 87 4.109 -19.229 -14.981 747 HG3 GLN 87 1HG GLN 87 3.684 -17.812 -14.023 748 HE21 GLN 87 1HE2 GLN 87 2.506 -18.751 -16.499 749 HE22 GLN 87 2HE2 GLN 87 2.676 -17.467 -17.643 750 H GLY 88 H GLY 88 7.252 -15.912 -11.499 751 HA2 GLY 88 2HA GLY 88 9.706 -16.566 -11.239 752 HA3 GLY 88 1HA GLY 88 9.870 -15.885 -12.855 753 H ASN 89 H ASN 89 11.161 -14.128 -12.396 754 HA ASN 89 HA ASN 89 11.635 -11.987 -11.830 755 HB2 ASN 89 2HB ASN 89 9.243 -11.747 -12.738 756 HB3 ASN 89 1HB ASN 89 8.724 -11.692 -11.059 757 HD21 ASN 89 1HD2 ASN 89 9.012 -9.853 -9.894 758 HD22 ASN 89 2HD2 ASN 89 9.620 -8.381 -10.564 759 H ALA 90 H ALA 90 11.666 -14.197 -9.846 760 HA ALA 90 HA ALA 90 10.561 -13.444 -7.385 761 HB1 ALA 90 1HB ALA 90 11.293 -15.725 -7.919 762 HB2 ALA 90 2HB ALA 90 11.974 -15.144 -6.399 763 HB3 ALA 90 3HB ALA 90 12.973 -15.191 -7.852 764 H GLU 91 H GLU 91 13.850 -12.980 -8.646 765 HA GLU 91 HA GLU 91 14.932 -11.750 -6.377 766 HB2 GLU 91 2HB GLU 91 15.628 -11.556 -9.307 767 HB3 GLU 91 1HB GLU 91 16.559 -10.756 -8.060 768 HG2 GLU 91 2HG GLU 91 17.696 -12.752 -8.571 769 HG3 GLU 91 1HG GLU 91 16.910 -13.012 -7.016 770 H GLN 92 H GLN 92 13.459 -10.377 -9.278 771 HA GLN 92 HA GLN 92 13.817 -7.679 -8.463 772 HB2 GLN 92 2HB GLN 92 12.283 -9.017 -10.678 773 HB3 GLN 92 1HB GLN 92 12.169 -7.275 -10.402 774 HG2 GLN 92 2HG GLN 92 14.658 -7.167 -10.580 775 HG3 GLN 92 1HG GLN 92 14.640 -8.863 -11.054 776 HE21 GLN 92 1HE2 GLN 92 15.514 -6.454 -12.499 777 HE22 GLN 92 2HE2 GLN 92 14.615 -6.460 -13.984 778 H PHE 93 H PHE 93 11.217 -9.999 -8.132 779 HA PHE 93 HA PHE 93 9.190 -8.181 -7.373 780 HB2 PHE 93 2HB PHE 93 8.769 -10.527 -8.084 781 HB3 PHE 93 1HB PHE 93 9.488 -11.086 -6.578 782 HD1 PHE 93 1HD PHE 93 6.816 -8.774 -7.762 783 HD2 PHE 93 2HD PHE 93 8.083 -11.594 -4.843 784 HE1 PHE 93 1HE PHE 93 4.611 -8.636 -6.680 785 HE2 PHE 93 2HE PHE 93 5.883 -11.462 -3.751 786 HZ PHE 93 HZ PHE 93 4.143 -9.982 -4.671 787 H ALA 94 H ALA 94 11.548 -10.057 -5.521 788 HA ALA 94 HA ALA 94 10.728 -9.284 -2.954 789 HB1 ALA 94 1HB ALA 94 12.302 -11.116 -3.365 790 HB2 ALA 94 2HB ALA 94 12.955 -9.947 -2.216 791 HB3 ALA 94 3HB ALA 94 13.518 -9.951 -3.888 792 H SER 95 H SER 95 12.851 -7.721 -5.289 793 HA SER 95 HA SER 95 13.702 -5.629 -3.564 794 HB2 SER 95 2HB SER 95 14.858 -6.335 -5.695 795 HB3 SER 95 1HB SER 95 13.552 -5.553 -6.588 796 HG SER 95 HG SER 95 15.659 -4.449 -5.152 797 H LEU 96 H LEU 96 11.090 -5.975 -5.928 798 HA LEU 96 HA LEU 96 10.087 -3.361 -5.829 799 HB2 LEU 96 2HB LEU 96 9.408 -5.011 -7.508 800 HB3 LEU 96 1HB LEU 96 8.597 -5.951 -6.275 801 HG LEU 96 HG LEU 96 7.026 -4.076 -5.903 802 HD11 LEU 96 1HD1 LEU 96 8.469 -2.244 -6.607 803 HD12 LEU 96 2HD1 LEU 96 6.953 -2.238 -7.508 804 HD13 LEU 96 3HD1 LEU 96 8.427 -2.838 -8.266 805 HD21 LEU 96 3HD2 LEU 96 7.219 -5.057 -8.745 806 HD22 LEU 96 1HD2 LEU 96 5.788 -4.344 -8.001 807 HD23 LEU 96 2HD2 LEU 96 6.420 -5.878 -7.404 808 H VAL 97 H VAL 97 9.234 -6.232 -3.938 809 HA VAL 97 HA VAL 97 7.237 -5.099 -2.353 810 HB VAL 97 HB VAL 97 9.205 -7.299 -1.688 811 HG11 VAL 97 1HG1 VAL 97 7.682 -7.948 0.107 812 HG12 VAL 97 2HG1 VAL 97 6.679 -6.537 -0.224 813 HG13 VAL 97 3HG1 VAL 97 8.323 -6.329 0.377 814 HG21 VAL 97 3HG2 VAL 97 7.292 -8.771 -2.167 815 HG22 VAL 97 1HG2 VAL 97 7.763 -7.804 -3.568 816 HG23 VAL 97 2HG2 VAL 97 6.339 -7.358 -2.626 817 H GLN 98 H GLN 98 10.749 -5.160 -1.892 818 HA GLN 98 HA GLN 98 10.752 -3.922 0.646 819 HB2 GLN 98 2HB GLN 98 12.682 -5.148 -0.284 820 HB3 GLN 98 1HB GLN 98 12.903 -3.875 -1.476 821 HG2 GLN 98 2HG GLN 98 13.378 -2.279 0.292 822 HG3 GLN 98 1HG GLN 98 13.106 -3.526 1.507 823 HE21 GLN 98 1HE2 GLN 98 14.718 -4.149 -1.526 824 HE22 GLN 98 2HE2 GLN 98 16.290 -4.406 -0.857 825 H GLN 99 H GLN 99 10.951 -2.610 -2.646 826 HA GLN 99 HA GLN 99 11.305 0.097 -1.894 827 HB2 GLN 99 2HB GLN 99 10.004 -1.015 -4.390 828 HB3 GLN 99 1HB GLN 99 10.545 0.643 -4.173 829 HG2 GLN 99 2HG GLN 99 12.275 -1.817 -4.231 830 HG3 GLN 99 1HG GLN 99 12.138 -0.592 -5.490 831 HE21 GLN 99 1HE2 GLN 99 14.467 -1.508 -4.040 832 HE22 GLN 99 2HE2 GLN 99 15.155 -0.111 -3.283 833 H HIS 100 H HIS 100 8.447 -1.858 -2.543 834 HA HIS 100 HA HIS 100 6.520 0.180 -2.288 835 HB2 HIS 100 2HB HIS 100 6.128 -2.096 -3.266 836 HB3 HIS 100 1HB HIS 100 6.199 -2.765 -1.640 837 HD1 HIS 100 1HD HIS 100 3.664 -3.573 -2.334 838 HD2 HIS 100 2HD HIS 100 4.255 0.480 -1.657 839 HE1 HIS 100 1HE HIS 100 1.366 -2.567 -2.016 840 H LEU 101 H LEU 101 7.890 -2.105 0.047 841 HA LEU 101 HA LEU 101 6.340 -1.436 2.273 842 HB2 LEU 101 2HB LEU 101 8.172 -3.294 1.793 843 HB3 LEU 101 1HB LEU 101 9.224 -2.143 2.588 844 HG LEU 101 HG LEU 101 6.704 -3.196 3.863 845 HD11 LEU 101 1HD1 LEU 101 9.515 -4.246 4.124 846 HD12 LEU 101 2HD1 LEU 101 8.154 -5.076 3.367 847 HD13 LEU 101 3HD1 LEU 101 8.132 -4.745 5.099 848 HD21 LEU 101 3HD2 LEU 101 7.811 -2.500 5.937 849 HD22 LEU 101 1HD2 LEU 101 7.541 -1.147 4.841 850 HD23 LEU 101 2HD2 LEU 101 9.151 -1.849 4.993 851 H GLN 102 H GLN 102 9.331 -0.029 1.017 852 HA GLN 102 HA GLN 102 9.839 1.743 3.111 853 HB2 GLN 102 2HB GLN 102 10.680 1.362 0.306 854 HB3 GLN 102 1HB GLN 102 10.942 2.945 0.993 855 HG2 GLN 102 2HG GLN 102 11.936 0.360 2.148 856 HG3 GLN 102 1HG GLN 102 12.900 1.504 1.219 857 HE21 GLN 102 1HE2 GLN 102 13.297 0.569 3.934 858 HE22 GLN 102 2HE2 GLN 102 13.263 1.969 4.952 859 H ASP 103 H ASP 103 7.933 2.082 0.139 860 HA ASP 103 HA ASP 103 7.467 4.865 0.395 861 HB2 ASP 103 2HB ASP 103 6.989 3.128 -1.599 862 HB3 ASP 103 1HB ASP 103 5.382 3.174 -0.892 863 H GLU 104 H GLU 104 5.598 2.016 1.358 864 HA GLU 104 HA GLU 104 3.394 3.406 2.431 865 HB2 GLU 104 2HB GLU 104 4.475 0.704 3.252 866 HB3 GLU 104 1HB GLU 104 2.865 1.321 3.598 867 HG2 GLU 104 2HG GLU 104 4.005 0.686 0.887 868 HG3 GLU 104 1HG GLU 104 2.797 -0.247 1.766 869 H GLN 105 H GLN 105 6.497 2.484 3.767 870 HA GLN 105 HA GLN 105 6.026 3.071 6.466 871 HB2 GLN 105 2HB GLN 105 8.039 1.909 5.648 872 HB3 GLN 105 1HB GLN 105 8.583 3.392 4.878 873 HG2 GLN 105 2HG GLN 105 8.739 4.464 7.077 874 HG3 GLN 105 1HG GLN 105 8.228 2.956 7.834 875 HE21 GLN 105 1HE2 GLN 105 10.795 4.605 6.187 876 HE22 GLN 105 2HE2 GLN 105 12.041 3.456 6.538 877 H ARG 106 H ARG 106 6.833 5.115 3.725 878 HA ARG 106 HA ARG 106 7.287 7.499 5.228 879 HB2 ARG 106 2HB ARG 106 6.425 7.335 2.336 880 HB3 ARG 106 1HB ARG 106 7.320 8.626 3.119 881 HG2 ARG 106 2HG ARG 106 8.328 5.841 2.594 882 HG3 ARG 106 1HG ARG 106 8.774 7.299 1.707 883 HD2 ARG 106 2HD ARG 106 9.897 8.206 3.588 884 HD3 ARG 106 1HD ARG 106 9.216 6.987 4.668 885 HE ARG 106 HE ARG 106 10.577 5.364 3.246 886 HH11 ARG 106 1HH1 ARG 106 11.552 8.686 3.785 887 HH12 ARG 106 2HH1 ARG 106 13.252 8.327 3.701 888 HH21 ARG 106 1HH2 ARG 106 12.807 4.895 3.133 889 HH22 ARG 106 2HH2 ARG 106 13.959 6.189 3.310 890 H HIS 107 H HIS 107 4.506 6.000 3.698 891 HA HIS 107 HA HIS 107 2.699 8.150 4.004 892 HB2 HIS 107 2HB HIS 107 2.106 5.173 4.003 893 HB3 HIS 107 1HB HIS 107 0.918 6.452 3.784 894 HD2 HIS 107 2HD HIS 107 3.518 7.803 1.727 895 HE1 HIS 107 1HE HIS 107 1.772 4.872 -0.765 896 HE2 HIS 107 2HE HIS 107 3.549 6.663 -0.602 897 H VAL 108 H VAL 108 3.454 5.356 6.064 898 HA VAL 108 HA VAL 108 1.777 6.040 8.220 899 HB VAL 108 HB VAL 108 4.405 4.538 8.289 900 HG11 VAL 108 1HG1 VAL 108 3.567 3.566 10.378 901 HG12 VAL 108 2HG1 VAL 108 2.158 4.621 10.299 902 HG13 VAL 108 3HG1 VAL 108 3.767 5.313 10.505 903 HG21 VAL 108 3HG2 VAL 108 2.800 3.504 6.781 904 HG22 VAL 108 1HG2 VAL 108 1.572 3.533 8.044 905 HG23 VAL 108 2HG2 VAL 108 3.006 2.522 8.234 906 H GLU 109 H GLU 109 5.104 6.924 7.429 907 HA GLU 109 HA GLU 109 5.795 8.362 9.709 908 HB2 GLU 109 2HB GLU 109 6.574 8.437 6.832 909 HB3 GLU 109 1HB GLU 109 7.064 9.781 7.841 910 HG2 GLU 109 2HG GLU 109 7.676 6.908 8.466 911 HG3 GLU 109 1HG GLU 109 8.756 7.986 7.583 912 H GLU 110 H GLU 110 4.131 9.415 6.767 913 HA GLU 110 HA GLU 110 3.905 12.115 7.424 914 HB2 GLU 110 2HB GLU 110 2.407 10.273 5.591 915 HB3 GLU 110 1HB GLU 110 1.952 11.955 5.751 916 HG2 GLU 110 2HG GLU 110 4.631 10.915 4.866 917 HG3 GLU 110 1HG GLU 110 3.395 11.644 3.837 918 H ILE 111 H ILE 111 1.716 9.394 8.015 919 HA ILE 111 HA ILE 111 -0.391 11.005 9.072 920 HB ILE 111 HB ILE 111 0.080 8.030 9.338 921 HG12 ILE 111 2HG1 ILE 111 -1.658 9.595 7.414 922 HG13 ILE 111 1HG1 ILE 111 -0.123 8.836 7.006 923 HG21 ILE 111 1HG2 ILE 111 -2.390 9.683 9.858 924 HG22 ILE 111 2HG2 ILE 111 -1.443 8.802 11.056 925 HG23 ILE 111 3HG2 ILE 111 -2.344 7.921 9.822 926 HD11 ILE 111 3HD1 ILE 111 -1.091 6.643 7.533 927 HD12 ILE 111 1HD1 ILE 111 -1.967 7.477 6.248 928 HD13 ILE 111 2HD1 ILE 111 -2.633 7.426 7.882 929 H GLU 112 H GLU 112 2.303 9.240 10.527 930 HA GLU 112 HA GLU 112 1.322 9.309 13.165 931 HB2 GLU 112 2HB GLU 112 3.937 8.713 11.882 932 HB3 GLU 112 1HB GLU 112 3.891 8.976 13.613 933 HG2 GLU 112 2HG GLU 112 2.289 6.932 12.101 934 HG3 GLU 112 1HG GLU 112 3.728 6.612 13.069 935 H LYS 113 H LYS 113 3.651 11.459 11.488 936 HA LYS 113 HA LYS 113 4.024 12.861 14.002 937 HB2 LYS 113 2HB LYS 113 5.831 14.080 12.814 938 HB3 LYS 113 1HB LYS 113 6.040 12.336 12.846 939 HG2 LYS 113 2HG LYS 113 4.924 12.402 10.511 940 HG3 LYS 113 1HG LYS 113 5.352 14.115 10.549 941 HD2 LYS 113 2HD LYS 113 7.684 13.559 10.888 942 HD3 LYS 113 1HD LYS 113 7.289 11.841 10.968 943 HE2 LYS 113 2HE LYS 113 6.364 12.074 8.628 944 HE3 LYS 113 1HE LYS 113 7.095 13.678 8.590 945 HZ1 LYS 113 3HZ LYS 113 8.513 11.086 8.937 946 HZ2 LYS 113 1HZ LYS 113 9.253 12.609 9.066 947 HZ3 LYS 113 2HZ LYS 113 8.584 12.116 7.587 948 H LYS 114 H LYS 114 2.014 13.167 11.410 949 HA LYS 114 HA LYS 114 0.705 15.413 12.373 950 HB2 LYS 114 2HB LYS 114 1.291 17.227 10.995 951 HB3 LYS 114 1HB LYS 114 2.827 16.554 11.500 952 HG2 LYS 114 2HG LYS 114 1.515 16.103 8.825 953 HG3 LYS 114 1HG LYS 114 2.817 17.245 9.149 954 HD2 LYS 114 2HD LYS 114 4.267 15.372 9.800 955 HD3 LYS 114 1HD LYS 114 2.958 14.246 9.434 956 HE2 LYS 114 2HE LYS 114 4.372 16.077 7.504 957 HE3 LYS 114 1HE LYS 114 4.478 14.319 7.569 958 HZ1 LYS 114 3HZ LYS 114 2.991 14.787 5.844 959 HZ2 LYS 114 1HZ LYS 114 2.170 15.982 6.732 960 HZ3 LYS 114 2HZ LYS 114 1.995 14.350 7.144 961 H ASN 115 H ASN 115 -0.358 16.451 9.929 962 HA ASN 115 HA ASN 115 -1.048 14.113 8.350 963 HB2 ASN 115 2HB ASN 115 -3.494 14.927 8.359 964 HB3 ASN 115 1HB ASN 115 -2.919 14.031 9.756 965 HD21 ASN 115 1HD2 ASN 115 -2.594 15.114 11.705 966 HD22 ASN 115 2HD2 ASN 115 -3.304 16.661 12.013 Start of MODEL 13 1 H1 MET 1 H1 MET 1 -16.747 8.470 15.074 2 H2 MET 1 H2 MET 1 -17.328 10.009 15.483 3 H3 MET 1 H3 MET 1 -16.908 8.910 16.705 4 HA MET 1 HA MET 1 -15.211 10.614 16.426 5 HB2 MET 1 2HB MET 1 -14.380 7.853 15.501 6 HB3 MET 1 1HB MET 1 -13.277 9.092 16.079 7 HG2 MET 1 2HG MET 1 -14.360 9.037 18.266 8 HG3 MET 1 1HG MET 1 -15.469 7.797 17.682 9 HE1 MET 1 2HE MET 1 -13.002 4.809 17.003 10 HE2 MET 1 3HE MET 1 -13.541 6.035 15.859 11 HE3 MET 1 1HE MET 1 -14.691 5.323 16.994 12 H ASP 2 H ASP 2 -13.414 11.380 15.074 13 HA ASP 2 HA ASP 2 -14.124 11.545 12.264 14 HB2 ASP 2 2HB ASP 2 -11.684 12.647 13.693 15 HB3 ASP 2 1HB ASP 2 -12.204 13.052 12.061 16 H GLU 3 H GLU 3 -13.781 9.705 11.216 17 HA GLU 3 HA GLU 3 -12.094 7.687 12.157 18 HB2 GLU 3 2HB GLU 3 -14.051 8.003 10.100 19 HB3 GLU 3 1HB GLU 3 -12.649 7.169 9.442 20 HG2 GLU 3 2HG GLU 3 -14.327 6.362 11.799 21 HG3 GLU 3 1HG GLU 3 -14.166 5.531 10.251 22 H LEU 4 H LEU 4 -10.034 7.475 12.053 23 HA LEU 4 HA LEU 4 -8.676 8.039 9.510 24 HB2 LEU 4 2HB LEU 4 -7.653 8.607 12.288 25 HB3 LEU 4 1HB LEU 4 -6.602 8.515 10.890 26 HG LEU 4 HG LEU 4 -8.862 10.492 11.221 27 HD11 LEU 4 1HD1 LEU 4 -7.139 12.148 11.591 28 HD12 LEU 4 2HD1 LEU 4 -5.885 10.917 11.432 29 HD13 LEU 4 3HD1 LEU 4 -7.004 10.865 12.795 30 HD21 LEU 4 3HD2 LEU 4 -8.417 9.967 8.887 31 HD22 LEU 4 1HD2 LEU 4 -6.695 10.263 9.131 32 HD23 LEU 4 2HD2 LEU 4 -7.846 11.591 9.272 33 H ARG 5 H ARG 5 -9.330 5.891 12.110 34 HA ARG 5 HA ARG 5 -6.995 4.314 12.005 35 HB2 ARG 5 2HB ARG 5 -9.742 3.914 13.142 36 HB3 ARG 5 1HB ARG 5 -8.554 2.626 13.173 37 HG2 ARG 5 2HG ARG 5 -7.005 4.145 14.377 38 HG3 ARG 5 1HG ARG 5 -8.300 5.341 14.432 39 HD2 ARG 5 2HD ARG 5 -9.680 3.835 15.735 40 HD3 ARG 5 1HD ARG 5 -8.452 2.571 15.613 41 HE ARG 5 HE ARG 5 -7.154 4.722 16.712 42 HH11 ARG 5 1HH1 ARG 5 -9.911 2.731 17.613 43 HH12 ARG 5 2HH1 ARG 5 -9.707 3.019 19.314 44 HH21 ARG 5 1HH2 ARG 5 -6.907 5.105 18.938 45 HH22 ARG 5 2HH2 ARG 5 -8.036 4.405 20.066 46 H GLU 6 H GLU 6 -10.199 3.937 10.477 47 HA GLU 6 HA GLU 6 -9.631 1.423 9.312 48 HB2 GLU 6 2HB GLU 6 -11.603 3.588 8.589 49 HB3 GLU 6 1HB GLU 6 -11.508 2.063 7.718 50 HG2 GLU 6 2HG GLU 6 -12.077 2.373 10.656 51 HG3 GLU 6 1HG GLU 6 -13.269 2.033 9.402 52 H LEU 7 H LEU 7 -9.099 4.718 8.225 53 HA LEU 7 HA LEU 7 -8.255 4.116 5.594 54 HB2 LEU 7 2HB LEU 7 -8.918 6.371 6.397 55 HB3 LEU 7 1HB LEU 7 -7.458 6.430 7.365 56 HG LEU 7 HG LEU 7 -6.115 6.293 5.276 57 HD11 LEU 7 1HD1 LEU 7 -7.229 6.715 3.139 58 HD12 LEU 7 2HD1 LEU 7 -8.798 6.600 3.940 59 HD13 LEU 7 3HD1 LEU 7 -7.744 5.187 3.855 60 HD21 LEU 7 3HD2 LEU 7 -6.545 8.596 4.566 61 HD22 LEU 7 1HD2 LEU 7 -6.574 8.443 6.323 62 HD23 LEU 7 2HD2 LEU 7 -8.088 8.573 5.423 63 H LEU 8 H LEU 8 -6.471 4.691 8.600 64 HA LEU 8 HA LEU 8 -3.883 4.259 7.598 65 HB2 LEU 8 2HB LEU 8 -4.524 5.297 9.797 66 HB3 LEU 8 1HB LEU 8 -4.871 3.688 10.388 67 HG LEU 8 HG LEU 8 -2.504 3.061 10.000 68 HD11 LEU 8 1HD1 LEU 8 -2.131 5.998 9.426 69 HD12 LEU 8 2HD1 LEU 8 -2.022 4.702 8.235 70 HD13 LEU 8 3HD1 LEU 8 -0.856 4.784 9.557 71 HD21 LEU 8 3HD2 LEU 8 -3.268 3.793 12.197 72 HD22 LEU 8 1HD2 LEU 8 -2.935 5.470 11.763 73 HD23 LEU 8 2HD2 LEU 8 -1.610 4.313 11.898 74 H LYS 9 H LYS 9 -6.273 2.108 8.994 75 HA LYS 9 HA LYS 9 -4.777 -0.223 9.261 76 HB2 LYS 9 2HB LYS 9 -7.011 -0.026 10.181 77 HB3 LYS 9 1HB LYS 9 -7.700 0.125 8.571 78 HG2 LYS 9 2HG LYS 9 -6.973 -2.179 8.073 79 HG3 LYS 9 1HG LYS 9 -6.368 -2.319 9.727 80 HD2 LYS 9 2HD LYS 9 -9.230 -1.703 8.995 81 HD3 LYS 9 1HD LYS 9 -8.627 -3.311 9.399 82 HE2 LYS 9 2HE LYS 9 -8.011 -2.553 11.616 83 HE3 LYS 9 1HE LYS 9 -8.489 -0.904 11.213 84 HZ1 LYS 9 3HZ LYS 9 -10.149 -2.206 12.520 85 HZ2 LYS 9 1HZ LYS 9 -10.374 -3.194 11.161 86 HZ3 LYS 9 2HZ LYS 9 -10.747 -1.537 11.079 87 H ALA 10 H ALA 10 -6.414 1.095 6.427 88 HA ALA 10 HA ALA 10 -6.096 -1.143 4.746 89 HB1 ALA 10 1HB ALA 10 -6.219 1.761 3.936 90 HB2 ALA 10 2HB ALA 10 -7.619 0.745 4.274 91 HB3 ALA 10 3HB ALA 10 -6.560 0.363 2.917 92 H GLU 11 H GLU 11 -4.072 1.688 5.343 93 HA GLU 11 HA GLU 11 -2.080 1.024 3.426 94 HB2 GLU 11 2HB GLU 11 -2.513 3.311 4.399 95 HB3 GLU 11 1HB GLU 11 -1.767 2.749 5.888 96 HG2 GLU 11 2HG GLU 11 -0.173 4.012 4.618 97 HG3 GLU 11 1HG GLU 11 0.316 2.318 4.649 98 H GLN 12 H GLN 12 -2.336 0.601 6.945 99 HA GLN 12 HA GLN 12 0.159 -0.586 7.396 100 HB2 GLN 12 2HB GLN 12 -2.463 -0.980 8.837 101 HB3 GLN 12 1HB GLN 12 -0.924 -1.587 9.423 102 HG2 GLN 12 2HG GLN 12 -0.074 0.674 9.610 103 HG3 GLN 12 1HG GLN 12 -1.584 1.311 8.954 104 HE21 GLN 12 1HE2 GLN 12 -0.050 -0.180 11.697 105 HE22 GLN 12 2HE2 GLN 12 -1.319 0.134 12.833 106 H GLN 13 H GLN 13 -2.875 -1.949 6.296 107 HA GLN 13 HA GLN 13 -2.315 -4.664 6.683 108 HB2 GLN 13 2HB GLN 13 -4.552 -3.722 6.138 109 HB3 GLN 13 1HB GLN 13 -3.988 -3.420 4.502 110 HG2 GLN 13 2HG GLN 13 -3.603 -5.840 4.222 111 HG3 GLN 13 1HG GLN 13 -4.287 -6.103 5.828 112 HE21 GLN 13 1HE2 GLN 13 -4.937 -5.249 2.539 113 HE22 GLN 13 2HE2 GLN 13 -6.658 -5.367 2.627 114 H GLY 14 H GLY 14 -1.731 -2.540 3.930 115 HA2 GLY 14 2HA GLY 14 -0.680 -4.553 2.226 116 HA3 GLY 14 1HA GLY 14 -0.452 -2.825 2.034 117 H ILE 15 H ILE 15 0.863 -2.206 4.397 118 HA ILE 15 HA ILE 15 3.533 -2.845 3.838 119 HB ILE 15 HB ILE 15 2.344 -1.970 6.481 120 HG12 ILE 15 2HG1 ILE 15 3.579 -0.333 4.254 121 HG13 ILE 15 1HG1 ILE 15 1.856 -0.436 4.603 122 HG21 ILE 15 1HG2 ILE 15 5.190 -1.848 5.497 123 HG22 ILE 15 2HG2 ILE 15 4.572 -2.897 6.770 124 HG23 ILE 15 3HG2 ILE 15 4.594 -1.150 7.003 125 HD11 ILE 15 3HD1 ILE 15 2.813 1.612 5.477 126 HD12 ILE 15 1HD1 ILE 15 3.964 0.681 6.437 127 HD13 ILE 15 2HD1 ILE 15 2.236 0.579 6.785 128 H LYS 16 H LYS 16 1.272 -4.197 6.189 129 HA LYS 16 HA LYS 16 2.940 -6.054 7.442 130 HB2 LYS 16 2HB LYS 16 0.646 -5.406 8.154 131 HB3 LYS 16 1HB LYS 16 -0.005 -6.316 6.811 132 HG2 LYS 16 2HG LYS 16 0.701 -8.377 7.745 133 HG3 LYS 16 1HG LYS 16 1.668 -7.559 8.976 134 HD2 LYS 16 2HD LYS 16 -0.297 -6.709 10.046 135 HD3 LYS 16 1HD LYS 16 -1.323 -7.283 8.732 136 HE2 LYS 16 2HE LYS 16 0.329 -9.100 10.470 137 HE3 LYS 16 1HE LYS 16 -1.348 -8.682 10.815 138 HZ1 LYS 16 3HZ LYS 16 -0.389 -10.006 8.330 139 HZ2 LYS 16 1HZ LYS 16 -2.003 -9.637 8.707 140 HZ3 LYS 16 2HZ LYS 16 -1.157 -10.786 9.622 141 H ILE 17 H ILE 17 0.835 -6.407 4.633 142 HA ILE 17 HA ILE 17 1.497 -9.071 3.988 143 HB ILE 17 HB ILE 17 0.522 -6.803 2.230 144 HG12 ILE 17 2HG1 ILE 17 -0.917 -9.170 3.465 145 HG13 ILE 17 1HG1 ILE 17 -0.999 -7.509 4.041 146 HG21 ILE 17 1HG2 ILE 17 1.654 -8.462 0.847 147 HG22 ILE 17 2HG2 ILE 17 -0.089 -8.533 0.594 148 HG23 ILE 17 3HG2 ILE 17 0.707 -9.754 1.586 149 HD11 ILE 17 3HD1 ILE 17 -2.968 -8.124 2.746 150 HD12 ILE 17 1HD1 ILE 17 -1.944 -8.480 1.354 151 HD13 ILE 17 2HD1 ILE 17 -2.059 -6.831 1.965 152 H LEU 18 H LEU 18 2.890 -6.002 2.853 153 HA LEU 18 HA LEU 18 4.651 -7.063 0.966 154 HB2 LEU 18 2HB LEU 18 4.889 -4.576 2.653 155 HB3 LEU 18 1HB LEU 18 5.961 -4.957 1.320 156 HG LEU 18 HG LEU 18 2.976 -4.569 1.055 157 HD11 LEU 18 1HD1 LEU 18 4.045 -2.493 1.685 158 HD12 LEU 18 2HD1 LEU 18 3.569 -2.443 -0.013 159 HD13 LEU 18 3HD1 LEU 18 5.258 -2.709 0.423 160 HD21 LEU 18 3HD2 LEU 18 5.147 -4.837 -1.020 161 HD22 LEU 18 1HD2 LEU 18 3.447 -4.494 -1.339 162 HD23 LEU 18 2HD2 LEU 18 3.919 -6.043 -0.641 163 H LYS 19 H LYS 19 5.209 -6.386 4.420 164 HA LYS 19 HA LYS 19 7.891 -7.204 4.436 165 HB2 LYS 19 2HB LYS 19 5.815 -7.118 6.618 166 HB3 LYS 19 1HB LYS 19 7.517 -7.406 6.883 167 HG2 LYS 19 2HG LYS 19 7.942 -5.179 5.761 168 HG3 LYS 19 1HG LYS 19 6.202 -4.913 5.887 169 HD2 LYS 19 2HD LYS 19 7.262 -3.871 7.769 170 HD3 LYS 19 1HD LYS 19 6.389 -5.294 8.344 171 HE2 LYS 19 2HE LYS 19 8.482 -6.571 8.339 172 HE3 LYS 19 1HE LYS 19 9.346 -5.149 7.764 173 HZ1 LYS 19 3HZ LYS 19 9.660 -5.300 10.098 174 HZ2 LYS 19 1HZ LYS 19 7.997 -5.499 10.383 175 HZ3 LYS 19 2HZ LYS 19 8.589 -4.010 9.826 176 H GLU 20 H GLU 20 4.862 -8.922 4.808 177 HA GLU 20 HA GLU 20 5.902 -11.393 5.660 178 HB2 GLU 20 2HB GLU 20 3.386 -10.233 4.895 179 HB3 GLU 20 1HB GLU 20 3.547 -11.814 4.173 180 HG2 GLU 20 2HG GLU 20 3.940 -11.239 7.098 181 HG3 GLU 20 1HG GLU 20 2.421 -11.776 6.393 182 H VAL 21 H VAL 21 5.243 -10.026 2.458 183 HA VAL 21 HA VAL 21 5.916 -12.345 0.968 184 HB VAL 21 HB VAL 21 6.132 -9.460 0.078 185 HG11 VAL 21 1HG1 VAL 21 7.287 -11.052 -1.382 186 HG12 VAL 21 2HG1 VAL 21 5.870 -10.357 -2.170 187 HG13 VAL 21 3HG1 VAL 21 5.804 -11.996 -1.520 188 HG21 VAL 21 3HG2 VAL 21 3.873 -9.777 -0.837 189 HG22 VAL 21 1HG2 VAL 21 3.904 -9.916 0.919 190 HG23 VAL 21 2HG2 VAL 21 3.802 -11.367 -0.080 191 H LEU 22 H LEU 22 7.775 -9.551 2.068 192 HA LEU 22 HA LEU 22 10.212 -10.152 0.821 193 HB2 LEU 22 2HB LEU 22 9.626 -8.015 1.964 194 HB3 LEU 22 1HB LEU 22 9.808 -8.829 3.504 195 HG LEU 22 HG LEU 22 12.190 -9.249 2.980 196 HD11 LEU 22 1HD1 LEU 22 12.023 -9.264 0.544 197 HD12 LEU 22 2HD1 LEU 22 13.230 -8.104 1.096 198 HD13 LEU 22 3HD1 LEU 22 11.651 -7.541 0.557 199 HD21 LEU 22 3HD2 LEU 22 11.327 -6.369 2.811 200 HD22 LEU 22 1HD2 LEU 22 12.940 -6.930 3.241 201 HD23 LEU 22 2HD2 LEU 22 11.570 -7.301 4.285 202 H LYS 23 H LYS 23 8.805 -11.242 3.840 203 HA LYS 23 HA LYS 23 11.027 -12.712 4.800 204 HB2 LYS 23 2HB LYS 23 8.920 -12.004 6.043 205 HB3 LYS 23 1HB LYS 23 8.123 -13.359 5.273 206 HG2 LYS 23 2HG LYS 23 9.541 -14.927 6.359 207 HG3 LYS 23 1HG LYS 23 10.577 -13.643 6.987 208 HD2 LYS 23 2HD LYS 23 8.820 -12.842 8.413 209 HD3 LYS 23 1HD LYS 23 7.657 -13.949 7.677 210 HE2 LYS 23 2HE LYS 23 10.103 -14.797 9.229 211 HE3 LYS 23 1HE LYS 23 8.471 -14.708 9.890 212 HZ1 LYS 23 3HZ LYS 23 7.764 -16.342 8.245 213 HZ2 LYS 23 1HZ LYS 23 9.008 -16.958 9.222 214 HZ3 LYS 23 2HZ LYS 23 9.347 -16.447 7.643 215 H LYS 24 H LYS 24 8.130 -13.646 3.023 216 HA LYS 24 HA LYS 24 8.696 -16.364 2.653 217 HB2 LYS 24 2HB LYS 24 6.890 -14.403 1.405 218 HB3 LYS 24 1HB LYS 24 7.303 -15.773 0.387 219 HG2 LYS 24 2HG LYS 24 5.291 -16.298 1.527 220 HG3 LYS 24 1HG LYS 24 6.572 -17.276 2.242 221 HD2 LYS 24 2HD LYS 24 6.078 -16.460 4.246 222 HD3 LYS 24 1HD LYS 24 6.420 -14.826 3.672 223 HE2 LYS 24 2HE LYS 24 4.163 -14.971 4.578 224 HE3 LYS 24 1HE LYS 24 4.128 -14.625 2.853 225 HZ1 LYS 24 3HZ LYS 24 3.905 -17.404 3.822 226 HZ2 LYS 24 1HZ LYS 24 3.363 -16.743 2.357 227 HZ3 LYS 24 2HZ LYS 24 2.546 -16.394 3.805 228 H ALA 25 H ALA 25 10.054 -13.606 1.080 229 HA ALA 25 HA ALA 25 10.940 -14.755 -1.317 230 HB1 ALA 25 1HB ALA 25 12.586 -12.963 -1.387 231 HB2 ALA 25 2HB ALA 25 12.283 -12.604 0.312 232 HB3 ALA 25 3HB ALA 25 11.011 -12.353 -0.884 233 H LYS 26 H LYS 26 12.117 -15.094 1.939 234 HA LYS 26 HA LYS 26 14.683 -16.142 1.316 235 HB2 LYS 26 2HB LYS 26 12.937 -16.492 3.756 236 HB3 LYS 26 1HB LYS 26 14.599 -17.049 3.645 237 HG2 LYS 26 2HG LYS 26 13.751 -14.182 3.328 238 HG3 LYS 26 1HG LYS 26 14.332 -14.893 4.834 239 HD2 LYS 26 2HD LYS 26 15.893 -14.815 2.252 240 HD3 LYS 26 1HD LYS 26 16.091 -13.668 3.577 241 HE2 LYS 26 2HE LYS 26 16.721 -15.512 5.071 242 HE3 LYS 26 1HE LYS 26 16.533 -16.650 3.737 243 HZ1 LYS 26 3HZ LYS 26 18.305 -15.484 2.554 244 HZ2 LYS 26 1HZ LYS 26 18.846 -16.064 4.054 245 HZ3 LYS 26 2HZ LYS 26 18.493 -14.419 3.861 246 H GLU 27 H GLU 27 11.487 -17.514 1.488 247 HA GLU 27 HA GLU 27 12.366 -20.247 1.405 248 HB2 GLU 27 2HB GLU 27 9.670 -19.018 0.800 249 HB3 GLU 27 1HB GLU 27 9.984 -20.740 0.948 250 HG2 GLU 27 2HG GLU 27 10.399 -18.728 3.144 251 HG3 GLU 27 1HG GLU 27 8.971 -19.745 2.960 252 H GLY 28 H GLY 28 10.829 -18.042 -0.931 253 HA2 GLY 28 2HA GLY 28 11.284 -17.794 -3.188 254 HA3 GLY 28 1HA GLY 28 12.513 -19.040 -3.046 255 H ASP 29 H ASP 29 9.008 -19.081 -2.435 256 HA ASP 29 HA ASP 29 8.800 -21.316 -4.331 257 HB2 ASP 29 2HB ASP 29 8.015 -21.847 -2.066 258 HB3 ASP 29 1HB ASP 29 6.900 -20.483 -2.124 259 H GLU 30 H GLU 30 7.612 -21.109 -6.142 260 HA GLU 30 HA GLU 30 7.004 -18.430 -6.926 261 HB2 GLU 30 2HB GLU 30 6.733 -21.071 -8.353 262 HB3 GLU 30 1HB GLU 30 6.329 -19.527 -9.097 263 HG2 GLU 30 2HG GLU 30 8.620 -18.758 -8.758 264 HG3 GLU 30 1HG GLU 30 9.026 -20.296 -8.000 265 H GLN 31 H GLN 31 5.065 -21.171 -5.899 266 HA GLN 31 HA GLN 31 2.571 -20.064 -6.756 267 HB2 GLN 31 2HB GLN 31 3.149 -22.119 -4.611 268 HB3 GLN 31 1HB GLN 31 1.549 -21.716 -5.214 269 HG2 GLN 31 2HG GLN 31 2.306 -22.439 -7.478 270 HG3 GLN 31 1HG GLN 31 3.799 -23.009 -6.731 271 HE21 GLN 31 1HE2 GLN 31 3.737 -24.804 -5.356 272 HE22 GLN 31 2HE2 GLN 31 2.374 -25.870 -5.308 273 H GLU 32 H GLU 32 4.400 -20.089 -3.758 274 HA GLU 32 HA GLU 32 2.611 -18.722 -2.106 275 HB2 GLU 32 2HB GLU 32 4.681 -19.890 -1.376 276 HB3 GLU 32 1HB GLU 32 5.635 -18.607 -2.104 277 HG2 GLU 32 2HG GLU 32 5.549 -18.227 0.234 278 HG3 GLU 32 1HG GLU 32 4.550 -17.005 -0.547 279 H LEU 33 H LEU 33 5.253 -17.474 -4.130 280 HA LEU 33 HA LEU 33 4.839 -14.756 -3.491 281 HB2 LEU 33 2HB LEU 33 6.158 -16.009 -5.895 282 HB3 LEU 33 1HB LEU 33 6.235 -14.306 -5.492 283 HG LEU 33 HG LEU 33 7.357 -16.565 -3.833 284 HD11 LEU 33 1HD1 LEU 33 8.629 -16.139 -5.873 285 HD12 LEU 33 2HD1 LEU 33 9.527 -15.635 -4.441 286 HD13 LEU 33 3HD1 LEU 33 8.735 -14.430 -5.456 287 HD21 LEU 33 3HD2 LEU 33 8.339 -14.781 -2.461 288 HD22 LEU 33 1HD2 LEU 33 6.576 -14.758 -2.415 289 HD23 LEU 33 2HD2 LEU 33 7.448 -13.582 -3.400 290 H ALA 34 H ALA 34 3.571 -16.827 -6.048 291 HA ALA 34 HA ALA 34 2.385 -14.831 -7.629 292 HB1 ALA 34 1HB ALA 34 2.678 -17.145 -8.376 293 HB2 ALA 34 2HB ALA 34 1.008 -16.606 -8.557 294 HB3 ALA 34 3HB ALA 34 1.452 -17.671 -7.222 295 H ARG 35 H ARG 35 1.039 -16.786 -4.982 296 HA ARG 35 HA ARG 35 -1.530 -15.656 -4.975 297 HB2 ARG 35 2HB ARG 35 -0.990 -17.703 -3.746 298 HB3 ARG 35 1HB ARG 35 0.062 -16.796 -2.668 299 HG2 ARG 35 2HG ARG 35 -1.962 -17.153 -1.506 300 HG3 ARG 35 1HG ARG 35 -1.949 -15.457 -1.991 301 HD2 ARG 35 2HD ARG 35 -4.129 -16.275 -2.439 302 HD3 ARG 35 1HD ARG 35 -3.310 -16.131 -3.995 303 HE ARG 35 HE ARG 35 -2.940 -18.732 -3.016 304 HH11 ARG 35 1HH1 ARG 35 -5.491 -16.678 -4.274 305 HH12 ARG 35 2HH1 ARG 35 -6.434 -18.014 -4.865 306 HH21 ARG 35 1HH2 ARG 35 -4.181 -20.483 -3.798 307 HH22 ARG 35 2HH2 ARG 35 -5.698 -20.164 -4.601 308 H LEU 36 H LEU 36 1.355 -14.850 -3.090 309 HA LEU 36 HA LEU 36 0.253 -12.798 -1.549 310 HB2 LEU 36 2HB LEU 36 3.085 -13.185 -2.525 311 HB3 LEU 36 1HB LEU 36 2.614 -12.012 -1.310 312 HG LEU 36 HG LEU 36 2.278 -14.998 -1.026 313 HD11 LEU 36 1HD1 LEU 36 4.128 -14.847 0.565 314 HD12 LEU 36 2HD1 LEU 36 4.337 -13.144 0.159 315 HD13 LEU 36 3HD1 LEU 36 4.627 -14.384 -1.062 316 HD21 LEU 36 3HD2 LEU 36 1.923 -12.741 0.940 317 HD22 LEU 36 1HD2 LEU 36 1.828 -14.461 1.322 318 HD23 LEU 36 2HD2 LEU 36 0.641 -13.730 0.240 319 H ASN 37 H ASN 37 1.792 -12.709 -4.741 320 HA ASN 37 HA ASN 37 1.838 -9.937 -5.104 321 HB2 ASN 37 2HB ASN 37 2.947 -11.532 -6.629 322 HB3 ASN 37 1HB ASN 37 1.371 -12.083 -7.188 323 HD21 ASN 37 1HD2 ASN 37 1.612 -11.485 -9.284 324 HD22 ASN 37 2HD2 ASN 37 1.704 -9.841 -9.803 325 H GLN 38 H GLN 38 -0.674 -12.303 -6.016 326 HA GLN 38 HA GLN 38 -2.546 -10.522 -7.013 327 HB2 GLN 38 2HB GLN 38 -2.370 -13.158 -6.922 328 HB3 GLN 38 1HB GLN 38 -3.394 -12.953 -5.505 329 HG2 GLN 38 2HG GLN 38 -4.324 -11.387 -7.720 330 HG3 GLN 38 1HG GLN 38 -4.178 -13.088 -8.136 331 HE21 GLN 38 1HE2 GLN 38 -6.450 -13.241 -8.311 332 HE22 GLN 38 2HE2 GLN 38 -7.448 -13.313 -6.899 333 H GLU 39 H GLU 39 -2.010 -11.703 -3.715 334 HA GLU 39 HA GLU 39 -4.249 -10.491 -2.540 335 HB2 GLU 39 2HB GLU 39 -1.596 -11.367 -1.411 336 HB3 GLU 39 1HB GLU 39 -2.912 -10.768 -0.417 337 HG2 GLU 39 2HG GLU 39 -4.338 -12.583 -1.450 338 HG3 GLU 39 1HG GLU 39 -2.841 -13.249 -2.094 339 H ILE 40 H ILE 40 -0.987 -9.310 -3.183 340 HA ILE 40 HA ILE 40 -1.223 -6.865 -1.774 341 HB ILE 40 HB ILE 40 0.470 -7.522 -4.197 342 HG12 ILE 40 2HG1 ILE 40 1.222 -7.378 -1.272 343 HG13 ILE 40 1HG1 ILE 40 0.907 -8.871 -2.145 344 HG21 ILE 40 1HG2 ILE 40 0.638 -5.175 -2.307 345 HG22 ILE 40 2HG2 ILE 40 0.152 -5.120 -4.003 346 HG23 ILE 40 3HG2 ILE 40 1.805 -5.560 -3.573 347 HD11 ILE 40 3HD1 ILE 40 3.106 -6.905 -2.723 348 HD12 ILE 40 1HD1 ILE 40 2.777 -8.373 -3.643 349 HD13 ILE 40 2HD1 ILE 40 3.278 -8.481 -1.955 350 H VAL 41 H VAL 41 -1.823 -7.738 -5.163 351 HA VAL 41 HA VAL 41 -2.584 -5.184 -6.056 352 HB VAL 41 HB VAL 41 -3.613 -7.821 -7.119 353 HG11 VAL 41 1HG1 VAL 41 -4.804 -5.878 -7.982 354 HG12 VAL 41 2HG1 VAL 41 -3.810 -6.612 -9.240 355 HG13 VAL 41 3HG1 VAL 41 -3.276 -5.133 -8.442 356 HG21 VAL 41 3HG2 VAL 41 -1.718 -7.734 -8.681 357 HG22 VAL 41 1HG2 VAL 41 -1.192 -7.885 -7.006 358 HG23 VAL 41 2HG2 VAL 41 -1.094 -6.324 -7.825 359 H LYS 42 H LYS 42 -4.453 -7.812 -4.612 360 HA LYS 42 HA LYS 42 -6.984 -6.554 -4.737 361 HB2 LYS 42 2HB LYS 42 -6.894 -8.902 -4.290 362 HB3 LYS 42 1HB LYS 42 -5.857 -8.662 -2.893 363 HG2 LYS 42 2HG LYS 42 -8.098 -9.204 -2.186 364 HG3 LYS 42 1HG LYS 42 -7.707 -7.548 -1.724 365 HD2 LYS 42 2HD LYS 42 -8.902 -6.790 -3.797 366 HD3 LYS 42 1HD LYS 42 -9.433 -8.458 -4.021 367 HE2 LYS 42 2HE LYS 42 -10.008 -6.729 -1.616 368 HE3 LYS 42 1HE LYS 42 -11.146 -7.115 -2.906 369 HZ1 LYS 42 3HZ LYS 42 -11.502 -8.523 -0.992 370 HZ2 LYS 42 1HZ LYS 42 -9.901 -9.069 -1.046 371 HZ3 LYS 42 2HZ LYS 42 -10.971 -9.452 -2.304 372 H ALA 43 H ALA 43 -4.463 -6.583 -2.243 373 HA ALA 43 HA ALA 43 -5.877 -5.238 -0.242 374 HB1 ALA 43 1HB ALA 43 -3.721 -4.833 0.795 375 HB2 ALA 43 2HB ALA 43 -2.900 -5.210 -0.721 376 HB3 ALA 43 3HB ALA 43 -3.786 -6.471 0.139 377 H GLU 44 H GLU 44 -3.753 -3.974 -2.791 378 HA GLU 44 HA GLU 44 -3.768 -1.299 -1.994 379 HB2 GLU 44 2HB GLU 44 -3.511 -2.520 -4.745 380 HB3 GLU 44 1HB GLU 44 -3.272 -0.808 -4.416 381 HG2 GLU 44 2HG GLU 44 -1.697 -3.013 -3.111 382 HG3 GLU 44 1HG GLU 44 -1.178 -2.134 -4.547 383 H LYS 45 H LYS 45 -6.072 -3.087 -4.022 384 HA LYS 45 HA LYS 45 -7.600 -0.872 -4.843 385 HB2 LYS 45 2HB LYS 45 -8.444 -3.741 -4.425 386 HB3 LYS 45 1HB LYS 45 -9.413 -2.522 -5.233 387 HG2 LYS 45 2HG LYS 45 -7.448 -2.274 -6.840 388 HG3 LYS 45 1HG LYS 45 -6.854 -3.783 -6.140 389 HD2 LYS 45 2HD LYS 45 -9.079 -4.804 -6.680 390 HD3 LYS 45 1HD LYS 45 -9.474 -3.328 -7.561 391 HE2 LYS 45 2HE LYS 45 -8.699 -4.896 -9.161 392 HE3 LYS 45 1HE LYS 45 -7.405 -3.720 -8.934 393 HZ1 LYS 45 3HZ LYS 45 -6.603 -6.025 -8.991 394 HZ2 LYS 45 1HZ LYS 45 -7.535 -6.378 -7.616 395 HZ3 LYS 45 2HZ LYS 45 -6.260 -5.266 -7.509 396 H GLN 46 H GLN 46 -7.711 -2.905 -1.978 397 HA GLN 46 HA GLN 46 -10.119 -1.924 -0.903 398 HB2 GLN 46 2HB GLN 46 -8.872 -3.968 -0.140 399 HB3 GLN 46 1HB GLN 46 -7.717 -2.906 0.645 400 HG2 GLN 46 2HG GLN 46 -9.536 -1.993 2.033 401 HG3 GLN 46 1HG GLN 46 -10.651 -3.132 1.278 402 HE21 GLN 46 1HE2 GLN 46 -8.012 -2.750 3.495 403 HE22 GLN 46 2HE2 GLN 46 -8.094 -4.333 4.187 404 H GLY 47 H GLY 47 -6.749 -0.956 -0.438 405 HA2 GLY 47 2HA GLY 47 -7.297 1.157 1.376 406 HA3 GLY 47 1HA GLY 47 -5.817 0.944 0.452 407 H VAL 48 H VAL 48 -6.745 1.113 -2.130 408 HA VAL 48 HA VAL 48 -6.777 3.861 -2.574 409 HB VAL 48 HB VAL 48 -7.583 1.582 -4.389 410 HG11 VAL 48 1HG1 VAL 48 -7.480 3.156 -6.254 411 HG12 VAL 48 2HG1 VAL 48 -7.214 4.487 -5.127 412 HG13 VAL 48 3HG1 VAL 48 -8.747 3.613 -5.113 413 HG21 VAL 48 3HG2 VAL 48 -5.122 3.323 -4.238 414 HG22 VAL 48 1HG2 VAL 48 -5.419 2.086 -5.459 415 HG23 VAL 48 2HG2 VAL 48 -5.238 1.629 -3.767 416 H LYS 49 H LYS 49 -9.473 1.576 -2.390 417 HA LYS 49 HA LYS 49 -11.485 3.328 -3.263 418 HB2 LYS 49 2HB LYS 49 -11.788 0.878 -3.012 419 HB3 LYS 49 1HB LYS 49 -11.753 1.072 -1.266 420 HG2 LYS 49 2HG LYS 49 -14.034 0.872 -2.033 421 HG3 LYS 49 1HG LYS 49 -13.750 2.492 -1.390 422 HD2 LYS 49 2HD LYS 49 -13.323 3.223 -3.773 423 HD3 LYS 49 1HD LYS 49 -13.938 1.649 -4.275 424 HE2 LYS 49 2HE LYS 49 -15.446 3.707 -2.668 425 HE3 LYS 49 1HE LYS 49 -15.672 3.366 -4.381 426 HZ1 LYS 49 3HZ LYS 49 -16.336 1.099 -3.778 427 HZ2 LYS 49 1HZ LYS 49 -17.355 2.271 -3.091 428 HZ3 LYS 49 2HZ LYS 49 -16.193 1.496 -2.131 429 H VAL 50 H VAL 50 -10.312 2.599 0.008 430 HA VAL 50 HA VAL 50 -12.123 4.352 1.325 431 HB VAL 50 HB VAL 50 -9.448 3.358 2.344 432 HG11 VAL 50 1HG1 VAL 50 -10.337 5.186 3.671 433 HG12 VAL 50 2HG1 VAL 50 -10.462 3.669 4.563 434 HG13 VAL 50 3HG1 VAL 50 -11.893 4.363 3.801 435 HG21 VAL 50 3HG2 VAL 50 -10.822 1.485 1.639 436 HG22 VAL 50 1HG2 VAL 50 -12.188 2.111 2.568 437 HG23 VAL 50 2HG2 VAL 50 -10.737 1.550 3.400 438 H TYR 51 H TYR 51 -8.732 4.701 0.279 439 HA TYR 51 HA TYR 51 -8.287 7.293 1.221 440 HB2 TYR 51 2HB TYR 51 -7.167 5.706 -1.061 441 HB3 TYR 51 1HB TYR 51 -6.779 7.417 -0.933 442 HD1 TYR 51 2HD TYR 51 -5.960 8.132 1.512 443 HD2 TYR 51 1HD TYR 51 -5.694 4.211 -0.109 444 HE1 TYR 51 2HE TYR 51 -4.126 7.622 3.064 445 HE2 TYR 51 1HE TYR 51 -3.856 3.691 1.438 446 HH TYR 51 HH TYR 51 -2.114 4.954 2.728 447 H LYS 52 H LYS 52 -9.589 6.198 -1.878 448 HA LYS 52 HA LYS 52 -9.914 8.706 -3.083 449 HB2 LYS 52 2HB LYS 52 -10.004 6.517 -4.243 450 HB3 LYS 52 1HB LYS 52 -11.545 6.191 -3.476 451 HG2 LYS 52 2HG LYS 52 -11.813 6.907 -5.785 452 HG3 LYS 52 1HG LYS 52 -12.563 8.041 -4.661 453 HD2 LYS 52 2HD LYS 52 -10.802 9.606 -4.936 454 HD3 LYS 52 1HD LYS 52 -9.800 8.428 -5.786 455 HE2 LYS 52 2HE LYS 52 -10.860 10.107 -7.278 456 HE3 LYS 52 1HE LYS 52 -11.267 8.438 -7.674 457 HZ1 LYS 52 3HZ LYS 52 -13.391 8.709 -6.592 458 HZ2 LYS 52 1HZ LYS 52 -13.190 9.919 -7.763 459 HZ3 LYS 52 2HZ LYS 52 -13.000 10.287 -6.114 460 H GLU 53 H GLU 53 -12.151 6.735 -1.178 461 HA GLU 53 HA GLU 53 -14.411 8.358 -1.370 462 HB2 GLU 53 2HB GLU 53 -13.457 6.359 0.658 463 HB3 GLU 53 1HB GLU 53 -14.967 7.207 0.874 464 HG2 GLU 53 2HG GLU 53 -14.271 5.494 -1.488 465 HG3 GLU 53 1HG GLU 53 -15.252 4.985 -0.116 466 H ALA 54 H ALA 54 -11.879 8.277 1.128 467 HA ALA 54 HA ALA 54 -13.112 10.331 2.684 468 HB1 ALA 54 1HB ALA 54 -11.727 8.578 3.691 469 HB2 ALA 54 2HB ALA 54 -11.137 10.190 4.091 470 HB3 ALA 54 3HB ALA 54 -10.311 9.227 2.864 471 H ALA 55 H ALA 55 -10.598 10.294 0.233 472 HA ALA 55 HA ALA 55 -9.397 12.752 0.788 473 HB1 ALA 55 1HB ALA 55 -8.608 12.726 -1.522 474 HB2 ALA 55 2HB ALA 55 -9.753 11.436 -1.901 475 HB3 ALA 55 3HB ALA 55 -8.437 11.142 -0.764 476 H GLU 56 H GLU 56 -12.234 12.021 -1.202 477 HA GLU 56 HA GLU 56 -12.459 14.848 -1.887 478 HB2 GLU 56 2HB GLU 56 -14.384 14.057 -3.307 479 HB3 GLU 56 1HB GLU 56 -12.801 13.433 -3.748 480 HG2 GLU 56 2HG GLU 56 -13.360 11.370 -2.436 481 HG3 GLU 56 1HG GLU 56 -15.003 12.002 -2.305 482 H LYS 57 H LYS 57 -13.101 13.318 0.750 483 HA LYS 57 HA LYS 57 -15.503 14.897 1.302 484 HB2 LYS 57 2HB LYS 57 -14.855 12.075 2.058 485 HB3 LYS 57 1HB LYS 57 -15.961 13.024 3.023 486 HG2 LYS 57 2HG LYS 57 -17.393 13.349 1.070 487 HG3 LYS 57 1HG LYS 57 -16.271 12.397 0.097 488 HD2 LYS 57 2HD LYS 57 -16.697 10.445 1.491 489 HD3 LYS 57 1HD LYS 57 -17.785 11.391 2.508 490 HE2 LYS 57 2HE LYS 57 -18.167 10.838 -0.434 491 HE3 LYS 57 1HE LYS 57 -18.998 10.002 0.876 492 HZ1 LYS 57 3HZ LYS 57 -19.919 12.186 1.551 493 HZ2 LYS 57 1HZ LYS 57 -20.427 11.693 0.014 494 HZ3 LYS 57 2HZ LYS 57 -19.229 12.880 0.171 495 H ALA 58 H ALA 58 -12.401 14.978 1.694 496 HA ALA 58 HA ALA 58 -12.177 15.113 4.577 497 HB1 ALA 58 1HB ALA 58 -9.834 15.703 4.141 498 HB2 ALA 58 2HB ALA 58 -10.179 15.752 2.413 499 HB3 ALA 58 3HB ALA 58 -10.317 14.233 3.296 500 H ARG 59 H ARG 59 -11.881 16.934 5.804 501 HA ARG 59 HA ARG 59 -12.934 19.405 4.738 502 HB2 ARG 59 2HB ARG 59 -11.966 18.606 7.481 503 HB3 ARG 59 1HB ARG 59 -12.557 20.214 7.099 504 HG2 ARG 59 2HG ARG 59 -14.740 19.371 6.621 505 HG3 ARG 59 1HG ARG 59 -14.177 17.704 6.760 506 HD2 ARG 59 2HD ARG 59 -15.400 18.561 8.767 507 HD3 ARG 59 1HD ARG 59 -13.779 17.954 9.099 508 HE ARG 59 HE ARG 59 -13.951 20.808 8.633 509 HH11 ARG 59 1HH1 ARG 59 -14.028 18.227 11.005 510 HH12 ARG 59 2HH1 ARG 59 -13.561 19.259 12.328 511 HH21 ARG 59 1HH2 ARG 59 -13.301 22.151 10.363 512 HH22 ARG 59 2HH2 ARG 59 -13.145 21.489 11.966 513 H ASN 60 H ASN 60 -9.843 18.125 5.764 514 HA ASN 60 HA ASN 60 -8.591 20.737 5.738 515 HB2 ASN 60 2HB ASN 60 -8.045 19.014 7.464 516 HB3 ASN 60 1HB ASN 60 -7.325 18.030 6.192 517 HD21 ASN 60 1HD2 ASN 60 -7.007 20.828 8.175 518 HD22 ASN 60 2HD2 ASN 60 -5.357 21.178 7.784 519 HA PRO 61 HA PRO 61 -7.658 20.178 1.402 520 HB2 PRO 61 2HB PRO 61 -6.425 22.568 1.036 521 HB3 PRO 61 1HB PRO 61 -8.181 22.397 1.147 522 HG2 PRO 61 2HG PRO 61 -6.224 23.254 3.246 523 HG3 PRO 61 1HG PRO 61 -7.822 23.921 2.866 524 HD2 PRO 61 2HD PRO 61 -7.389 22.226 4.938 525 HD3 PRO 61 1HD PRO 61 -8.924 22.293 4.051 526 H GLU 62 H GLU 62 -5.287 20.957 3.876 527 HA GLU 62 HA GLU 62 -3.017 20.708 2.218 528 HB2 GLU 62 2HB GLU 62 -3.389 20.573 5.197 529 HB3 GLU 62 1HB GLU 62 -1.837 20.613 4.400 530 HG2 GLU 62 2HG GLU 62 -3.932 22.749 4.160 531 HG3 GLU 62 1HG GLU 62 -2.558 22.810 5.262 532 H LYS 63 H LYS 63 -4.580 18.527 4.550 533 HA LYS 63 HA LYS 63 -2.867 16.338 3.891 534 HB2 LYS 63 2HB LYS 63 -5.450 16.516 5.419 535 HB3 LYS 63 1HB LYS 63 -4.682 14.973 5.080 536 HG2 LYS 63 2HG LYS 63 -2.607 15.918 6.186 537 HG3 LYS 63 1HG LYS 63 -3.635 17.242 6.739 538 HD2 LYS 63 2HD LYS 63 -5.049 15.725 7.943 539 HD3 LYS 63 1HD LYS 63 -4.212 14.330 7.260 540 HE2 LYS 63 2HE LYS 63 -2.992 16.393 9.090 541 HE3 LYS 63 1HE LYS 63 -3.514 14.779 9.568 542 HZ1 LYS 63 3HZ LYS 63 -1.111 14.930 9.167 543 HZ2 LYS 63 1HZ LYS 63 -1.398 15.349 7.546 544 HZ3 LYS 63 2HZ LYS 63 -1.857 13.824 8.130 545 H ARG 64 H ARG 64 -5.787 17.631 2.579 546 HA ARG 64 HA ARG 64 -6.750 15.439 1.147 547 HB2 ARG 64 2HB ARG 64 -7.500 18.042 1.367 548 HB3 ARG 64 1HB ARG 64 -6.795 18.058 -0.240 549 HG2 ARG 64 2HG ARG 64 -9.029 16.269 0.693 550 HG3 ARG 64 1HG ARG 64 -9.192 17.696 -0.327 551 HD2 ARG 64 2HD ARG 64 -7.611 15.229 -1.047 552 HD3 ARG 64 1HD ARG 64 -9.255 15.562 -1.588 553 HE ARG 64 HE ARG 64 -7.355 17.643 -2.226 554 HH11 ARG 64 1HH1 ARG 64 -8.829 14.644 -3.276 555 HH12 ARG 64 2HH1 ARG 64 -8.460 14.886 -4.955 556 HH21 ARG 64 1HH2 ARG 64 -6.869 17.977 -4.441 557 HH22 ARG 64 2HH2 ARG 64 -7.357 16.793 -5.618 558 H GLN 65 H GLN 65 -4.252 17.820 0.347 559 HA GLN 65 HA GLN 65 -3.633 16.829 -2.216 560 HB2 GLN 65 2HB GLN 65 -2.060 18.437 -0.207 561 HB3 GLN 65 1HB GLN 65 -1.524 18.129 -1.844 562 HG2 GLN 65 2HG GLN 65 -3.240 19.419 -2.776 563 HG3 GLN 65 1HG GLN 65 -4.156 19.421 -1.269 564 HE21 GLN 65 1HE2 GLN 65 -3.566 20.783 0.382 565 HE22 GLN 65 2HE2 GLN 65 -2.485 22.115 0.155 566 H VAL 66 H VAL 66 -2.363 16.161 1.005 567 HA VAL 66 HA VAL 66 -0.252 14.474 0.255 568 HB VAL 66 HB VAL 66 -1.944 14.331 2.760 569 HG11 VAL 66 1HG1 VAL 66 0.831 13.268 2.223 570 HG12 VAL 66 2HG1 VAL 66 -0.632 12.300 2.408 571 HG13 VAL 66 3HG1 VAL 66 -0.010 13.230 3.772 572 HG21 VAL 66 3HG2 VAL 66 -0.136 15.674 3.778 573 HG22 VAL 66 1HG2 VAL 66 -0.996 16.537 2.503 574 HG23 VAL 66 2HG2 VAL 66 0.597 15.851 2.183 575 H ILE 67 H ILE 67 -3.622 13.729 1.117 576 HA ILE 67 HA ILE 67 -3.447 10.942 0.748 577 HB ILE 67 HB ILE 67 -5.863 12.744 0.521 578 HG12 ILE 67 2HG1 ILE 67 -4.873 11.049 2.828 579 HG13 ILE 67 1HG1 ILE 67 -4.697 12.797 2.715 580 HG21 ILE 67 1HG2 ILE 67 -6.269 10.628 -0.595 581 HG22 ILE 67 2HG2 ILE 67 -7.181 10.705 0.915 582 HG23 ILE 67 3HG2 ILE 67 -5.700 9.748 0.823 583 HD11 ILE 67 3HD1 ILE 67 -7.131 13.033 2.723 584 HD12 ILE 67 1HD1 ILE 67 -6.542 12.202 4.162 585 HD13 ILE 67 2HD1 ILE 67 -7.291 11.282 2.861 586 H ASP 68 H ASP 68 -4.339 13.548 -1.482 587 HA ASP 68 HA ASP 68 -5.041 11.942 -3.691 588 HB2 ASP 68 2HB ASP 68 -5.507 14.369 -3.531 589 HB3 ASP 68 1HB ASP 68 -3.785 14.703 -3.673 590 H LYS 69 H LYS 69 -1.951 13.412 -2.761 591 HA LYS 69 HA LYS 69 -0.384 12.404 -4.849 592 HB2 LYS 69 2HB LYS 69 0.221 14.141 -3.081 593 HB3 LYS 69 1HB LYS 69 0.547 12.798 -2.000 594 HG2 LYS 69 2HG LYS 69 1.924 13.054 -4.650 595 HG3 LYS 69 1HG LYS 69 2.515 13.883 -3.212 596 HD2 LYS 69 2HD LYS 69 2.145 10.904 -3.522 597 HD3 LYS 69 1HD LYS 69 3.680 11.772 -3.550 598 HE2 LYS 69 2HE LYS 69 3.317 12.496 -1.248 599 HE3 LYS 69 1HE LYS 69 1.770 11.655 -1.216 600 HZ1 LYS 69 3HZ LYS 69 3.373 10.281 -0.157 601 HZ2 LYS 69 1HZ LYS 69 4.465 10.441 -1.448 602 HZ3 LYS 69 2HZ LYS 69 3.034 9.574 -1.675 603 H ILE 70 H ILE 70 -1.141 11.019 -1.661 604 HA ILE 70 HA ILE 70 0.313 8.623 -1.932 605 HB ILE 70 HB ILE 70 -2.153 9.257 -0.305 606 HG12 ILE 70 2HG1 ILE 70 0.758 8.956 0.472 607 HG13 ILE 70 1HG1 ILE 70 -0.085 10.488 0.272 608 HG21 ILE 70 1HG2 ILE 70 -0.401 6.802 -0.160 609 HG22 ILE 70 2HG2 ILE 70 -2.068 6.852 -0.732 610 HG23 ILE 70 3HG2 ILE 70 -1.706 7.207 0.957 611 HD11 ILE 70 3HD1 ILE 70 0.095 9.933 2.605 612 HD12 ILE 70 1HD1 ILE 70 -0.679 8.373 2.325 613 HD13 ILE 70 2HD1 ILE 70 -1.593 9.864 2.105 614 H LEU 71 H LEU 71 -2.989 9.493 -2.836 615 HA LEU 71 HA LEU 71 -3.918 6.999 -3.657 616 HB2 LEU 71 2HB LEU 71 -4.602 9.820 -4.120 617 HB3 LEU 71 1HB LEU 71 -5.119 8.742 -5.393 618 HG LEU 71 HG LEU 71 -5.824 8.431 -2.476 619 HD11 LEU 71 1HD1 LEU 71 -7.487 9.428 -4.789 620 HD12 LEU 71 2HD1 LEU 71 -6.859 10.413 -3.468 621 HD13 LEU 71 3HD1 LEU 71 -8.056 9.158 -3.141 622 HD21 LEU 71 3HD2 LEU 71 -6.810 6.976 -4.930 623 HD22 LEU 71 1HD2 LEU 71 -7.426 6.770 -3.289 624 HD23 LEU 71 2HD2 LEU 71 -5.767 6.310 -3.673 625 H GLU 72 H GLU 72 -2.301 9.533 -5.554 626 HA GLU 72 HA GLU 72 -2.156 8.155 -7.993 627 HB2 GLU 72 2HB GLU 72 -1.593 10.606 -7.466 628 HB3 GLU 72 1HB GLU 72 -0.025 10.025 -6.950 629 HG2 GLU 72 2HG GLU 72 -1.129 9.545 -9.702 630 HG3 GLU 72 1HG GLU 72 -0.151 10.947 -9.279 631 H ASP 73 H ASP 73 0.025 8.204 -5.209 632 HA ASP 73 HA ASP 73 2.064 6.612 -6.261 633 HB2 ASP 73 2HB ASP 73 1.108 6.976 -3.431 634 HB3 ASP 73 1HB ASP 73 2.514 6.000 -3.838 635 H GLU 74 H GLU 74 -0.847 5.634 -4.449 636 HA GLU 74 HA GLU 74 -0.243 2.868 -4.537 637 HB2 GLU 74 2HB GLU 74 -2.976 4.140 -4.310 638 HB3 GLU 74 1HB GLU 74 -2.548 2.496 -3.865 639 HG2 GLU 74 2HG GLU 74 -1.482 4.985 -2.549 640 HG3 GLU 74 1HG GLU 74 -2.791 3.988 -1.930 641 H GLU 75 H GLU 75 -2.099 5.002 -6.704 642 HA GLU 75 HA GLU 75 -3.015 3.109 -8.542 643 HB2 GLU 75 2HB GLU 75 -1.997 5.915 -9.069 644 HB3 GLU 75 1HB GLU 75 -2.904 4.956 -10.208 645 HG2 GLU 75 2HG GLU 75 -3.869 6.052 -7.593 646 HG3 GLU 75 1HG GLU 75 -4.346 6.569 -9.207 647 H LYS 76 H LYS 76 0.101 4.655 -8.165 648 HA LYS 76 HA LYS 76 1.329 3.632 -10.509 649 HB2 LYS 76 2HB LYS 76 2.098 5.601 -9.151 650 HB3 LYS 76 1HB LYS 76 2.627 4.478 -7.911 651 HG2 LYS 76 2HG LYS 76 4.164 3.458 -9.555 652 HG3 LYS 76 1HG LYS 76 3.692 4.701 -10.714 653 HD2 LYS 76 2HD LYS 76 5.007 5.163 -8.035 654 HD3 LYS 76 1HD LYS 76 5.789 5.281 -9.607 655 HE2 LYS 76 2HE LYS 76 5.341 7.493 -9.090 656 HE3 LYS 76 1HE LYS 76 3.978 7.053 -10.115 657 HZ1 LYS 76 3HZ LYS 76 2.671 6.678 -8.090 658 HZ2 LYS 76 1HZ LYS 76 3.213 8.275 -8.209 659 HZ3 LYS 76 2HZ LYS 76 3.976 7.194 -7.147 660 H HIS 77 H HIS 77 1.110 2.526 -7.166 661 HA HIS 77 HA HIS 77 2.941 0.392 -7.332 662 HB2 HIS 77 2HB HIS 77 0.537 0.774 -5.539 663 HB3 HIS 77 1HB HIS 77 1.736 -0.496 -5.326 664 HD2 HIS 77 2HD HIS 77 3.914 2.242 -6.222 665 HE1 HIS 77 1HE HIS 77 3.205 2.841 -2.103 666 HE2 HIS 77 2HE HIS 77 4.484 3.656 -4.120 667 H ILE 78 H ILE 78 -0.556 0.545 -7.840 668 HA ILE 78 HA ILE 78 -1.055 -2.164 -8.280 669 HB ILE 78 HB ILE 78 -2.409 0.213 -9.576 670 HG12 ILE 78 2HG1 ILE 78 -3.148 -1.370 -7.104 671 HG13 ILE 78 1HG1 ILE 78 -2.429 0.237 -7.098 672 HG21 ILE 78 1HG2 ILE 78 -3.392 -2.623 -9.255 673 HG22 ILE 78 2HG2 ILE 78 -2.862 -1.883 -10.766 674 HG23 ILE 78 3HG2 ILE 78 -4.302 -1.277 -9.946 675 HD11 ILE 78 3HD1 ILE 78 -4.812 0.350 -6.698 676 HD12 ILE 78 1HD1 ILE 78 -5.127 -0.499 -8.210 677 HD13 ILE 78 2HD1 ILE 78 -4.411 1.112 -8.236 678 H GLU 79 H GLU 79 0.170 0.320 -10.456 679 HA GLU 79 HA GLU 79 -0.047 -1.136 -12.846 680 HB2 GLU 79 2HB GLU 79 0.251 1.290 -12.784 681 HB3 GLU 79 1HB GLU 79 1.858 1.086 -12.098 682 HG2 GLU 79 2HG GLU 79 2.600 -0.024 -14.113 683 HG3 GLU 79 1HG GLU 79 0.982 0.112 -14.797 684 H TRP 80 H TRP 80 2.587 -0.843 -10.478 685 HA TRP 80 HA TRP 80 4.543 -2.214 -11.963 686 HB2 TRP 80 2HB TRP 80 4.207 -2.055 -8.964 687 HB3 TRP 80 1HB TRP 80 5.659 -2.600 -9.788 688 HD1 TRP 80 HD TRP 80 5.174 0.009 -11.974 689 HE1 TRP 80 1HE TRP 80 6.141 2.260 -11.172 690 HE3 TRP 80 3HE TRP 80 5.613 -1.030 -6.982 691 HZ2 TRP 80 2HZ TRP 80 6.980 3.428 -8.738 692 HZ3 TRP 80 3HZ TRP 80 6.509 0.709 -5.488 693 HH2 TRP 80 HH TRP 80 7.179 2.892 -6.352 694 H HIS 81 H HIS 81 2.254 -3.349 -9.513 695 HA HIS 81 HA HIS 81 3.063 -6.066 -9.689 696 HB2 HIS 81 2HB HIS 81 0.664 -4.735 -8.446 697 HB3 HIS 81 1HB HIS 81 0.908 -6.482 -8.402 698 HD1 HIS 81 1HD HIS 81 2.844 -7.375 -6.899 699 HD2 HIS 81 2HD HIS 81 2.365 -3.244 -6.820 700 HE1 HIS 81 1HE HIS 81 4.333 -6.517 -5.037 701 H LYS 82 H LYS 82 0.724 -4.118 -11.375 702 HA LYS 82 HA LYS 82 -0.787 -6.097 -12.630 703 HB2 LYS 82 2HB LYS 82 -1.415 -3.798 -12.854 704 HB3 LYS 82 1HB LYS 82 0.137 -3.376 -13.559 705 HG2 LYS 82 2HG LYS 82 -0.452 -4.777 -15.530 706 HG3 LYS 82 1HG LYS 82 -2.058 -4.994 -14.828 707 HD2 LYS 82 2HD LYS 82 -2.469 -2.619 -14.907 708 HD3 LYS 82 1HD LYS 82 -0.818 -2.313 -15.446 709 HE2 LYS 82 2HE LYS 82 -1.262 -3.531 -17.516 710 HE3 LYS 82 1HE LYS 82 -2.909 -3.859 -16.975 711 HZ1 LYS 82 3HZ LYS 82 -2.859 -1.997 -18.493 712 HZ2 LYS 82 1HZ LYS 82 -1.750 -1.174 -17.510 713 HZ3 LYS 82 2HZ LYS 82 -3.325 -1.470 -16.952 714 H ALA 83 H ALA 83 2.269 -4.589 -13.634 715 HA ALA 83 HA ALA 83 2.585 -6.177 -15.969 716 HB1 ALA 83 1HB ALA 83 3.675 -4.003 -15.697 717 HB2 ALA 83 2HB ALA 83 4.847 -5.275 -16.041 718 HB3 ALA 83 3HB ALA 83 4.668 -4.663 -14.396 719 H ALA 84 H ALA 84 3.605 -6.534 -12.630 720 HA ALA 84 HA ALA 84 5.441 -8.657 -13.063 721 HB1 ALA 84 1HB ALA 84 5.546 -7.259 -11.077 722 HB2 ALA 84 2HB ALA 84 5.371 -8.959 -10.640 723 HB3 ALA 84 3HB ALA 84 3.982 -7.876 -10.546 724 H SER 85 H SER 85 1.992 -8.529 -12.537 725 HA SER 85 HA SER 85 1.578 -11.201 -11.763 726 HB2 SER 85 2HB SER 85 -0.292 -9.325 -13.226 727 HB3 SER 85 1HB SER 85 -0.769 -10.834 -12.442 728 HG SER 85 HG SER 85 0.269 -8.482 -11.230 729 H LYS 86 H LYS 86 2.124 -9.750 -14.877 730 HA LYS 86 HA LYS 86 1.741 -12.395 -16.104 731 HB2 LYS 86 2HB LYS 86 1.803 -9.685 -17.449 732 HB3 LYS 86 1HB LYS 86 1.624 -11.225 -18.275 733 HG2 LYS 86 2HG LYS 86 -0.473 -11.583 -16.927 734 HG3 LYS 86 1HG LYS 86 -0.320 -9.904 -16.401 735 HD2 LYS 86 2HD LYS 86 -0.333 -9.210 -18.783 736 HD3 LYS 86 1HD LYS 86 -0.619 -10.891 -19.238 737 HE2 LYS 86 2HE LYS 86 -2.730 -9.792 -19.244 738 HE3 LYS 86 1HE LYS 86 -2.687 -10.822 -17.815 739 HZ1 LYS 86 3HZ LYS 86 -2.133 -8.880 -16.478 740 HZ2 LYS 86 1HZ LYS 86 -3.591 -8.636 -17.307 741 HZ3 LYS 86 2HZ LYS 86 -2.168 -7.893 -17.857 742 H GLN 87 H GLN 87 3.704 -13.220 -15.505 743 HA GLN 87 HA GLN 87 5.825 -13.885 -15.927 744 HB2 GLN 87 2HB GLN 87 5.710 -11.781 -18.084 745 HB3 GLN 87 1HB GLN 87 7.097 -12.832 -17.822 746 HG2 GLN 87 2HG GLN 87 5.853 -14.762 -18.386 747 HG3 GLN 87 1HG GLN 87 4.330 -13.876 -18.337 748 HE21 GLN 87 1HE2 GLN 87 3.765 -12.561 -20.040 749 HE22 GLN 87 2HE2 GLN 87 4.555 -12.641 -21.577 750 H GLY 88 H GLY 88 6.834 -13.437 -14.089 751 HA2 GLY 88 2HA GLY 88 8.328 -10.905 -13.985 752 HA3 GLY 88 1HA GLY 88 7.431 -11.446 -12.573 753 H ASN 89 H ASN 89 9.940 -11.091 -12.001 754 HA ASN 89 HA ASN 89 11.064 -13.817 -12.019 755 HB2 ASN 89 2HB ASN 89 12.270 -11.943 -13.427 756 HB3 ASN 89 1HB ASN 89 12.882 -11.443 -11.852 757 HD21 ASN 89 1HD2 ASN 89 14.328 -12.523 -14.137 758 HD22 ASN 89 2HD2 ASN 89 15.129 -13.955 -13.554 759 H ALA 90 H ALA 90 12.560 -14.201 -10.144 760 HA ALA 90 HA ALA 90 11.018 -13.803 -7.818 761 HB1 ALA 90 1HB ALA 90 13.836 -14.846 -8.026 762 HB2 ALA 90 2HB ALA 90 12.372 -15.805 -8.243 763 HB3 ALA 90 3HB ALA 90 12.727 -15.079 -6.676 764 H GLU 91 H GLU 91 14.419 -12.761 -8.368 765 HA GLU 91 HA GLU 91 14.518 -11.219 -6.021 766 HB2 GLU 91 2HB GLU 91 16.166 -11.255 -8.524 767 HB3 GLU 91 1HB GLU 91 16.490 -10.124 -7.229 768 HG2 GLU 91 2HG GLU 91 16.608 -12.154 -5.701 769 HG3 GLU 91 1HG GLU 91 16.667 -13.111 -7.180 770 H GLN 92 H GLN 92 13.784 -10.351 -9.353 771 HA GLN 92 HA GLN 92 13.589 -7.580 -8.985 772 HB2 GLN 92 2HB GLN 92 12.080 -9.329 -10.936 773 HB3 GLN 92 1HB GLN 92 12.220 -7.579 -11.037 774 HG2 GLN 92 2HG GLN 92 14.514 -9.527 -11.194 775 HG3 GLN 92 1HG GLN 92 13.734 -8.753 -12.570 776 HE21 GLN 92 1HE2 GLN 92 15.614 -7.774 -13.246 777 HE22 GLN 92 2HE2 GLN 92 16.332 -6.442 -12.404 778 H PHE 93 H PHE 93 11.257 -10.180 -8.487 779 HA PHE 93 HA PHE 93 9.048 -8.513 -7.862 780 HB2 PHE 93 2HB PHE 93 8.824 -10.913 -8.456 781 HB3 PHE 93 1HB PHE 93 9.615 -11.342 -6.945 782 HD1 PHE 93 1HD PHE 93 6.698 -9.402 -8.212 783 HD2 PHE 93 2HD PHE 93 8.317 -11.828 -5.114 784 HE1 PHE 93 1HE PHE 93 4.516 -9.410 -7.080 785 HE2 PHE 93 2HE PHE 93 6.137 -11.834 -3.975 786 HZ PHE 93 HZ PHE 93 4.234 -10.627 -4.961 787 H ALA 94 H ALA 94 11.552 -10.082 -5.922 788 HA ALA 94 HA ALA 94 10.663 -9.253 -3.394 789 HB1 ALA 94 1HB ALA 94 12.928 -9.676 -2.632 790 HB2 ALA 94 2HB ALA 94 13.507 -9.688 -4.297 791 HB3 ALA 94 3HB ALA 94 12.404 -10.946 -3.738 792 H SER 95 H SER 95 12.724 -7.645 -5.778 793 HA SER 95 HA SER 95 13.236 -5.359 -4.156 794 HB2 SER 95 2HB SER 95 14.656 -6.043 -6.091 795 HB3 SER 95 1HB SER 95 13.347 -5.561 -7.172 796 HG SER 95 HG SER 95 14.027 -3.637 -5.329 797 H LEU 96 H LEU 96 10.769 -6.240 -6.500 798 HA LEU 96 HA LEU 96 9.480 -3.772 -6.760 799 HB2 LEU 96 2HB LEU 96 8.895 -5.655 -8.161 800 HB3 LEU 96 1HB LEU 96 8.373 -6.581 -6.769 801 HG LEU 96 HG LEU 96 6.473 -5.085 -6.441 802 HD11 LEU 96 1HD1 LEU 96 7.482 -3.653 -8.897 803 HD12 LEU 96 2HD1 LEU 96 7.537 -3.026 -7.250 804 HD13 LEU 96 3HD1 LEU 96 5.983 -3.315 -8.032 805 HD21 LEU 96 3HD2 LEU 96 5.219 -5.657 -8.451 806 HD22 LEU 96 1HD2 LEU 96 6.222 -7.010 -7.930 807 HD23 LEU 96 2HD2 LEU 96 6.722 -6.018 -9.299 808 H VAL 97 H VAL 97 8.978 -6.399 -4.461 809 HA VAL 97 HA VAL 97 7.035 -5.171 -2.863 810 HB VAL 97 HB VAL 97 9.175 -7.155 -2.053 811 HG11 VAL 97 1HG1 VAL 97 7.649 -7.725 -0.201 812 HG12 VAL 97 2HG1 VAL 97 6.613 -6.373 -0.665 813 HG13 VAL 97 3HG1 VAL 97 8.254 -6.073 -0.093 814 HG21 VAL 97 3HG2 VAL 97 7.755 -7.956 -3.867 815 HG22 VAL 97 1HG2 VAL 97 6.316 -7.571 -2.923 816 HG23 VAL 97 2HG2 VAL 97 7.420 -8.831 -2.371 817 H GLN 98 H GLN 98 10.559 -4.952 -2.836 818 HA GLN 98 HA GLN 98 10.818 -3.542 -0.407 819 HB2 GLN 98 2HB GLN 98 12.737 -4.627 -1.328 820 HB3 GLN 98 1HB GLN 98 12.606 -3.726 -2.832 821 HG2 GLN 98 2HG GLN 98 13.173 -1.670 -1.662 822 HG3 GLN 98 1HG GLN 98 13.270 -2.557 -0.140 823 HE21 GLN 98 1HE2 GLN 98 15.419 -1.915 0.114 824 HE22 GLN 98 2HE2 GLN 98 16.698 -2.648 -0.798 825 H GLN 99 H GLN 99 10.678 -2.364 -3.790 826 HA GLN 99 HA GLN 99 10.877 0.370 -3.116 827 HB2 GLN 99 2HB GLN 99 9.918 -1.107 -5.529 828 HB3 GLN 99 1HB GLN 99 9.533 0.600 -5.389 829 HG2 GLN 99 2HG GLN 99 11.491 0.585 -6.627 830 HG3 GLN 99 1HG GLN 99 12.046 0.928 -4.992 831 HE21 GLN 99 1HE2 GLN 99 11.937 -1.393 -7.560 832 HE22 GLN 99 2HE2 GLN 99 13.136 -2.468 -6.919 833 H HIS 100 H HIS 100 8.106 -1.755 -3.587 834 HA HIS 100 HA HIS 100 6.069 0.137 -3.244 835 HB2 HIS 100 2HB HIS 100 5.908 -2.295 -4.052 836 HB3 HIS 100 1HB HIS 100 5.932 -2.747 -2.353 837 HD1 HIS 100 1HD HIS 100 3.503 -3.258 -4.328 838 HD2 HIS 100 2HD HIS 100 3.828 -0.159 -1.581 839 HE1 HIS 100 1HE HIS 100 1.143 -2.520 -3.813 840 H LEU 101 H LEU 101 7.746 -1.938 -0.911 841 HA LEU 101 HA LEU 101 6.263 -1.315 1.361 842 HB2 LEU 101 2HB LEU 101 7.878 -3.172 1.159 843 HB3 LEU 101 1HB LEU 101 9.193 -2.016 1.192 844 HG LEU 101 HG LEU 101 8.537 -1.351 3.476 845 HD11 LEU 101 1HD1 LEU 101 6.550 -3.605 3.242 846 HD12 LEU 101 2HD1 LEU 101 6.166 -1.887 3.350 847 HD13 LEU 101 3HD1 LEU 101 6.928 -2.708 4.713 848 HD21 LEU 101 3HD2 LEU 101 10.233 -3.089 3.094 849 HD22 LEU 101 1HD2 LEU 101 8.971 -4.318 3.162 850 HD23 LEU 101 2HD2 LEU 101 9.336 -3.349 4.590 851 H GLN 102 H GLN 102 9.254 0.201 0.146 852 HA GLN 102 HA GLN 102 9.689 1.941 2.253 853 HB2 GLN 102 2HB GLN 102 10.360 2.159 -0.676 854 HB3 GLN 102 1HB GLN 102 11.018 3.180 0.570 855 HG2 GLN 102 2HG GLN 102 11.352 0.208 0.462 856 HG3 GLN 102 1HG GLN 102 12.542 1.377 -0.101 857 HE21 GLN 102 1HE2 GLN 102 11.006 -0.047 2.669 858 HE22 GLN 102 2HE2 GLN 102 12.135 0.531 3.839 859 H ASP 103 H ASP 103 7.673 2.274 -0.628 860 HA ASP 103 HA ASP 103 7.138 5.050 -0.292 861 HB2 ASP 103 2HB ASP 103 6.737 3.430 -2.363 862 HB3 ASP 103 1HB ASP 103 5.151 3.271 -1.632 863 H GLU 104 H GLU 104 5.454 2.091 0.666 864 HA GLU 104 HA GLU 104 3.132 3.372 1.635 865 HB2 GLU 104 2HB GLU 104 4.250 0.692 2.480 866 HB3 GLU 104 1HB GLU 104 2.599 1.253 2.712 867 HG2 GLU 104 2HG GLU 104 3.930 0.771 0.054 868 HG3 GLU 104 1HG GLU 104 2.799 -0.319 0.850 869 H GLN 105 H GLN 105 6.154 2.427 3.224 870 HA GLN 105 HA GLN 105 5.445 3.087 5.851 871 HB2 GLN 105 2HB GLN 105 8.136 3.311 4.487 872 HB3 GLN 105 1HB GLN 105 7.864 3.292 6.216 873 HG2 GLN 105 2HG GLN 105 7.026 1.021 6.092 874 HG3 GLN 105 1HG GLN 105 7.226 1.036 4.340 875 HE21 GLN 105 1HE2 GLN 105 9.469 2.466 6.629 876 HE22 GLN 105 2HE2 GLN 105 10.767 1.366 6.322 877 H ARG 106 H ARG 106 6.584 4.982 3.151 878 HA ARG 106 HA ARG 106 7.028 7.418 4.550 879 HB2 ARG 106 2HB ARG 106 8.113 6.989 2.442 880 HB3 ARG 106 1HB ARG 106 6.570 6.760 1.636 881 HG2 ARG 106 2HG ARG 106 6.047 9.132 2.005 882 HG3 ARG 106 1HG ARG 106 7.634 9.345 2.750 883 HD2 ARG 106 2HD ARG 106 8.733 8.728 0.697 884 HD3 ARG 106 1HD ARG 106 7.190 8.329 -0.054 885 HE ARG 106 HE ARG 106 7.245 11.035 0.823 886 HH11 ARG 106 1HH1 ARG 106 8.417 8.896 -1.696 887 HH12 ARG 106 2HH1 ARG 106 8.477 10.146 -2.902 888 HH21 ARG 106 1HH2 ARG 106 7.304 12.677 -0.768 889 HH22 ARG 106 2HH2 ARG 106 7.851 12.294 -2.380 890 H HIS 107 H HIS 107 4.263 6.058 2.799 891 HA HIS 107 HA HIS 107 2.594 8.308 2.843 892 HB2 HIS 107 2HB HIS 107 1.855 5.374 3.032 893 HB3 HIS 107 1HB HIS 107 0.701 6.670 2.746 894 HD2 HIS 107 2HD HIS 107 3.258 7.931 0.612 895 HE1 HIS 107 1HE HIS 107 1.576 4.817 -1.702 896 HE2 HIS 107 2HE HIS 107 3.193 6.766 -1.703 897 H VAL 108 H VAL 108 3.002 5.704 5.221 898 HA VAL 108 HA VAL 108 1.225 6.699 7.156 899 HB VAL 108 HB VAL 108 3.779 5.144 7.635 900 HG11 VAL 108 1HG1 VAL 108 2.666 4.396 9.704 901 HG12 VAL 108 2HG1 VAL 108 1.331 5.497 9.364 902 HG13 VAL 108 3HG1 VAL 108 2.941 6.139 9.683 903 HG21 VAL 108 3HG2 VAL 108 0.961 4.173 7.179 904 HG22 VAL 108 1HG2 VAL 108 2.335 3.159 7.618 905 HG23 VAL 108 2HG2 VAL 108 2.317 3.997 6.066 906 H GLU 109 H GLU 109 4.656 7.307 6.588 907 HA GLU 109 HA GLU 109 5.224 8.934 8.770 908 HB2 GLU 109 2HB GLU 109 6.319 8.703 5.988 909 HB3 GLU 109 1HB GLU 109 6.930 9.935 7.067 910 HG2 GLU 109 2HG GLU 109 6.916 6.986 7.639 911 HG3 GLU 109 1HG GLU 109 8.303 7.904 7.054 912 H GLU 110 H GLU 110 3.768 9.699 5.659 913 HA GLU 110 HA GLU 110 3.713 12.506 6.006 914 HB2 GLU 110 2HB GLU 110 2.166 10.630 4.215 915 HB3 GLU 110 1HB GLU 110 2.108 12.373 4.089 916 HG2 GLU 110 2HG GLU 110 4.531 12.406 3.664 917 HG3 GLU 110 1HG GLU 110 4.531 10.645 3.720 918 H ILE 111 H ILE 111 1.271 9.947 6.451 919 HA ILE 111 HA ILE 111 -0.857 11.721 7.041 920 HB ILE 111 HB ILE 111 -0.578 8.787 7.729 921 HG12 ILE 111 2HG1 ILE 111 -1.949 10.154 5.400 922 HG13 ILE 111 1HG1 ILE 111 -0.410 9.304 5.316 923 HG21 ILE 111 1HG2 ILE 111 -3.039 10.538 7.659 924 HG22 ILE 111 2HG2 ILE 111 -2.291 9.847 9.099 925 HG23 ILE 111 3HG2 ILE 111 -3.028 8.790 7.896 926 HD11 ILE 111 3HD1 ILE 111 -2.242 7.946 4.464 927 HD12 ILE 111 1HD1 ILE 111 -3.057 8.062 6.026 928 HD13 ILE 111 2HD1 ILE 111 -1.512 7.221 5.898 929 H GLU 112 H GLU 112 1.475 10.053 9.113 930 HA GLU 112 HA GLU 112 0.151 10.359 11.551 931 HB2 GLU 112 2HB GLU 112 3.036 9.982 10.802 932 HB3 GLU 112 1HB GLU 112 2.514 10.084 12.469 933 HG2 GLU 112 2HG GLU 112 1.528 8.068 10.471 934 HG3 GLU 112 1HG GLU 112 2.769 7.774 11.686 935 H LYS 113 H LYS 113 1.983 12.692 9.710 936 HA LYS 113 HA LYS 113 2.427 14.329 12.067 937 HB2 LYS 113 2HB LYS 113 3.403 14.495 9.228 938 HB3 LYS 113 1HB LYS 113 3.630 15.813 10.372 939 HG2 LYS 113 2HG LYS 113 4.629 12.993 10.742 940 HG3 LYS 113 1HG LYS 113 5.603 14.369 10.221 941 HD2 LYS 113 2HD LYS 113 5.135 15.508 12.329 942 HD3 LYS 113 1HD LYS 113 4.132 14.157 12.852 943 HE2 LYS 113 2HE LYS 113 7.078 14.002 12.228 944 HE3 LYS 113 1HE LYS 113 6.392 14.120 13.847 945 HZ1 LYS 113 3HZ LYS 113 5.193 12.010 13.369 946 HZ2 LYS 113 1HZ LYS 113 6.881 11.850 13.404 947 HZ3 LYS 113 2HZ LYS 113 6.065 11.881 11.921 948 H LYS 114 H LYS 114 2.393 16.818 10.704 949 HA LYS 114 HA LYS 114 -0.336 17.433 11.338 950 HB2 LYS 114 2HB LYS 114 1.954 19.163 10.406 951 HB3 LYS 114 1HB LYS 114 0.371 19.790 10.838 952 HG2 LYS 114 2HG LYS 114 0.652 18.930 13.111 953 HG3 LYS 114 1HG LYS 114 2.247 18.309 12.674 954 HD2 LYS 114 2HD LYS 114 2.409 20.459 13.835 955 HD3 LYS 114 1HD LYS 114 3.007 20.571 12.178 956 HE2 LYS 114 2HE LYS 114 0.773 21.464 11.514 957 HE3 LYS 114 1HE LYS 114 0.332 21.495 13.220 958 HZ1 LYS 114 3HZ LYS 114 1.098 23.653 12.437 959 HZ2 LYS 114 1HZ LYS 114 2.598 22.984 12.006 960 HZ3 LYS 114 2HZ LYS 114 2.134 23.036 13.633 961 H ASN 115 H ASN 115 1.681 17.816 8.441 962 HA ASN 115 HA ASN 115 -0.787 18.125 6.876 963 HB2 ASN 115 2HB ASN 115 2.080 18.832 6.190 964 HB3 ASN 115 1HB ASN 115 0.747 18.929 5.049 965 HD21 ASN 115 1HD2 ASN 115 0.970 21.113 4.743 966 HD22 ASN 115 2HD2 ASN 115 0.539 22.280 5.951 Start of MODEL 14 1 H1 MET 1 H1 MET 1 -11.065 11.940 14.468 2 H2 MET 1 H2 MET 1 -11.109 13.421 15.291 3 H3 MET 1 H3 MET 1 -10.357 13.316 13.774 4 HA MET 1 HA MET 1 -13.242 12.945 14.317 5 HB2 MET 1 2HB MET 1 -11.668 15.208 13.104 6 HB3 MET 1 1HB MET 1 -13.383 14.996 12.788 7 HG2 MET 1 2HG MET 1 -13.876 15.214 15.145 8 HG3 MET 1 1HG MET 1 -12.157 15.351 15.510 9 HE1 MET 1 2HE MET 1 -13.712 18.953 16.133 10 HE2 MET 1 3HE MET 1 -12.869 17.601 16.891 11 HE3 MET 1 1HE MET 1 -14.537 17.411 16.353 12 H ASP 2 H ASP 2 -10.682 13.159 11.849 13 HA ASP 2 HA ASP 2 -12.498 12.070 9.861 14 HB2 ASP 2 2HB ASP 2 -10.580 13.872 9.540 15 HB3 ASP 2 1HB ASP 2 -9.583 12.436 9.315 16 H GLU 3 H GLU 3 -11.178 10.329 8.378 17 HA GLU 3 HA GLU 3 -11.221 8.057 10.205 18 HB2 GLU 3 2HB GLU 3 -11.233 8.157 7.185 19 HB3 GLU 3 1HB GLU 3 -11.431 6.703 8.155 20 HG2 GLU 3 2HG GLU 3 -13.291 9.071 8.090 21 HG3 GLU 3 1HG GLU 3 -13.566 7.501 7.338 22 H LEU 4 H LEU 4 -8.814 9.756 10.096 23 HA LEU 4 HA LEU 4 -6.765 8.575 8.593 24 HB2 LEU 4 2HB LEU 4 -6.795 10.223 11.087 25 HB3 LEU 4 1HB LEU 4 -5.298 9.484 10.564 26 HG LEU 4 HG LEU 4 -5.553 10.668 8.373 27 HD11 LEU 4 1HD1 LEU 4 -7.774 12.104 9.811 28 HD12 LEU 4 2HD1 LEU 4 -7.949 11.039 8.415 29 HD13 LEU 4 3HD1 LEU 4 -7.081 12.566 8.256 30 HD21 LEU 4 3HD2 LEU 4 -4.101 11.499 10.151 31 HD22 LEU 4 1HD2 LEU 4 -5.449 12.418 10.823 32 HD23 LEU 4 2HD2 LEU 4 -4.816 12.817 9.226 33 H ARG 5 H ARG 5 -8.049 7.765 11.770 34 HA ARG 5 HA ARG 5 -6.068 5.903 12.502 35 HB2 ARG 5 2HB ARG 5 -7.947 7.033 13.896 36 HB3 ARG 5 1HB ARG 5 -8.950 5.704 13.342 37 HG2 ARG 5 2HG ARG 5 -6.336 5.242 14.733 38 HG3 ARG 5 1HG ARG 5 -7.839 5.494 15.616 39 HD2 ARG 5 2HD ARG 5 -7.362 3.332 13.567 40 HD3 ARG 5 1HD ARG 5 -7.292 3.106 15.312 41 HE ARG 5 HE ARG 5 -9.725 3.735 13.761 42 HH11 ARG 5 1HH1 ARG 5 -8.156 2.506 16.639 43 HH12 ARG 5 2HH1 ARG 5 -9.626 1.900 17.348 44 HH21 ARG 5 1HH2 ARG 5 -11.673 2.950 14.675 45 HH22 ARG 5 2HH2 ARG 5 -11.638 2.156 16.226 46 H GLU 6 H GLU 6 -9.102 5.594 10.729 47 HA GLU 6 HA GLU 6 -9.003 2.748 10.528 48 HB2 GLU 6 2HB GLU 6 -10.540 4.741 8.854 49 HB3 GLU 6 1HB GLU 6 -10.859 3.017 8.969 50 HG2 GLU 6 2HG GLU 6 -11.036 4.944 11.271 51 HG3 GLU 6 1HG GLU 6 -12.406 4.419 10.296 52 H LEU 7 H LEU 7 -8.137 5.449 8.448 53 HA LEU 7 HA LEU 7 -7.455 3.997 6.146 54 HB2 LEU 7 2HB LEU 7 -7.835 6.468 6.324 55 HB3 LEU 7 1HB LEU 7 -6.269 6.603 7.097 56 HG LEU 7 HG LEU 7 -5.215 5.704 5.038 57 HD11 LEU 7 1HD1 LEU 7 -7.991 5.969 3.888 58 HD12 LEU 7 2HD1 LEU 7 -7.136 4.455 4.181 59 HD13 LEU 7 3HD1 LEU 7 -6.524 5.597 2.984 60 HD21 LEU 7 3HD2 LEU 7 -6.929 8.161 4.682 61 HD22 LEU 7 1HD2 LEU 7 -5.517 7.741 3.710 62 HD23 LEU 7 2HD2 LEU 7 -5.332 8.101 5.427 63 H LEU 8 H LEU 8 -5.616 4.927 8.995 64 HA LEU 8 HA LEU 8 -3.044 4.212 8.210 65 HB2 LEU 8 2HB LEU 8 -3.722 5.376 10.316 66 HB3 LEU 8 1HB LEU 8 -4.271 3.838 10.939 67 HG LEU 8 HG LEU 8 -1.980 2.962 10.828 68 HD11 LEU 8 1HD1 LEU 8 -0.111 4.471 10.384 69 HD12 LEU 8 2HD1 LEU 8 -1.246 5.752 9.957 70 HD13 LEU 8 3HD1 LEU 8 -1.149 4.292 8.971 71 HD21 LEU 8 3HD2 LEU 8 -2.779 4.003 12.885 72 HD22 LEU 8 1HD2 LEU 8 -2.214 5.573 12.319 73 HD23 LEU 8 2HD2 LEU 8 -1.053 4.289 12.656 74 H LYS 9 H LYS 9 -5.644 2.268 9.552 75 HA LYS 9 HA LYS 9 -4.293 -0.136 9.972 76 HB2 LYS 9 2HB LYS 9 -7.157 0.309 9.117 77 HB3 LYS 9 1HB LYS 9 -6.516 -1.214 9.714 78 HG2 LYS 9 2HG LYS 9 -6.141 -0.302 11.874 79 HG3 LYS 9 1HG LYS 9 -6.500 1.334 11.308 80 HD2 LYS 9 2HD LYS 9 -8.790 0.761 10.910 81 HD3 LYS 9 1HD LYS 9 -8.470 -0.942 11.232 82 HE2 LYS 9 2HE LYS 9 -7.987 -0.448 13.547 83 HE3 LYS 9 1HE LYS 9 -8.186 1.279 13.245 84 HZ1 LYS 9 3HZ LYS 9 -10.365 -0.650 12.716 85 HZ2 LYS 9 1HZ LYS 9 -10.470 1.033 12.914 86 HZ3 LYS 9 2HZ LYS 9 -10.142 0.034 14.251 87 H ALA 10 H ALA 10 -5.925 1.055 7.056 88 HA ALA 10 HA ALA 10 -5.631 -1.285 5.524 89 HB1 ALA 10 1HB ALA 10 -7.188 0.511 4.934 90 HB2 ALA 10 2HB ALA 10 -6.110 0.127 3.591 91 HB3 ALA 10 3HB ALA 10 -5.826 1.571 4.564 92 H GLU 11 H GLU 11 -3.591 1.573 5.878 93 HA GLU 11 HA GLU 11 -1.642 0.813 3.968 94 HB2 GLU 11 2HB GLU 11 -2.002 3.129 4.880 95 HB3 GLU 11 1HB GLU 11 -1.276 2.593 6.388 96 HG2 GLU 11 2HG GLU 11 0.371 3.761 5.135 97 HG3 GLU 11 1HG GLU 11 0.795 2.050 5.133 98 H GLN 12 H GLN 12 -1.894 0.430 7.479 99 HA GLN 12 HA GLN 12 0.603 -0.796 7.910 100 HB2 GLN 12 2HB GLN 12 -1.987 -0.995 9.455 101 HB3 GLN 12 1HB GLN 12 -0.461 -1.655 10.019 102 HG2 GLN 12 2HG GLN 12 0.514 0.579 10.028 103 HG3 GLN 12 1HG GLN 12 -1.008 1.247 9.438 104 HE21 GLN 12 1HE2 GLN 12 0.421 1.863 11.894 105 HE22 GLN 12 2HE2 GLN 12 -0.667 1.494 13.194 106 H GLN 13 H GLN 13 -2.563 -2.134 7.091 107 HA GLN 13 HA GLN 13 -1.930 -4.850 7.421 108 HB2 GLN 13 2HB GLN 13 -4.233 -3.998 7.140 109 HB3 GLN 13 1HB GLN 13 -3.871 -3.609 5.467 110 HG2 GLN 13 2HG GLN 13 -5.124 -5.673 5.612 111 HG3 GLN 13 1HG GLN 13 -3.504 -5.969 4.986 112 HE21 GLN 13 1HE2 GLN 13 -3.520 -8.129 5.565 113 HE22 GLN 13 2HE2 GLN 13 -3.405 -8.653 7.211 114 H GLY 14 H GLY 14 -1.684 -2.715 4.633 115 HA2 GLY 14 2HA GLY 14 -0.808 -4.645 2.771 116 HA3 GLY 14 1HA GLY 14 -0.524 -2.916 2.649 117 H ILE 15 H ILE 15 1.018 -2.452 4.889 118 HA ILE 15 HA ILE 15 3.587 -3.244 4.083 119 HB ILE 15 HB ILE 15 2.656 -2.228 6.774 120 HG12 ILE 15 2HG1 ILE 15 3.921 -0.835 4.404 121 HG13 ILE 15 1HG1 ILE 15 2.248 -0.679 4.927 122 HG21 ILE 15 1HG2 ILE 15 4.798 -3.415 6.961 123 HG22 ILE 15 2HG2 ILE 15 4.981 -1.683 7.228 124 HG23 ILE 15 3HG2 ILE 15 5.471 -2.394 5.689 125 HD11 ILE 15 3HD1 ILE 15 4.660 0.166 6.514 126 HD12 ILE 15 1HD1 ILE 15 2.973 0.362 6.992 127 HD13 ILE 15 2HD1 ILE 15 3.600 1.233 5.593 128 H LYS 16 H LYS 16 1.431 -4.519 6.577 129 HA LYS 16 HA LYS 16 3.110 -6.474 7.660 130 HB2 LYS 16 2HB LYS 16 0.783 -5.753 8.440 131 HB3 LYS 16 1HB LYS 16 0.145 -6.823 7.205 132 HG2 LYS 16 2HG LYS 16 1.320 -8.712 8.269 133 HG3 LYS 16 1HG LYS 16 1.860 -7.623 9.548 134 HD2 LYS 16 2HD LYS 16 -1.012 -8.250 8.859 135 HD3 LYS 16 1HD LYS 16 -0.113 -8.907 10.227 136 HE2 LYS 16 2HE LYS 16 -0.764 -5.999 9.758 137 HE3 LYS 16 1HE LYS 16 -1.567 -7.063 10.909 138 HZ1 LYS 16 3HZ LYS 16 0.032 -5.740 12.059 139 HZ2 LYS 16 1HZ LYS 16 1.267 -6.171 10.982 140 HZ3 LYS 16 2HZ LYS 16 0.611 -7.335 12.027 141 H ILE 17 H ILE 17 0.846 -6.623 4.959 142 HA ILE 17 HA ILE 17 1.350 -9.275 4.147 143 HB ILE 17 HB ILE 17 0.402 -6.875 2.556 144 HG12 ILE 17 2HG1 ILE 17 -1.098 -9.226 3.740 145 HG13 ILE 17 1HG1 ILE 17 -1.058 -7.600 4.416 146 HG21 ILE 17 1HG2 ILE 17 -0.385 -8.500 0.876 147 HG22 ILE 17 2HG2 ILE 17 0.416 -9.793 1.768 148 HG23 ILE 17 3HG2 ILE 17 1.371 -8.506 1.034 149 HD11 ILE 17 3HD1 ILE 17 -3.117 -8.024 3.189 150 HD12 ILE 17 1HD1 ILE 17 -2.182 -8.360 1.732 151 HD13 ILE 17 2HD1 ILE 17 -2.169 -6.741 2.434 152 H LEU 18 H LEU 18 2.874 -6.204 3.166 153 HA LEU 18 HA LEU 18 4.561 -7.266 1.200 154 HB2 LEU 18 2HB LEU 18 4.971 -4.901 3.024 155 HB3 LEU 18 1HB LEU 18 6.007 -5.278 1.659 156 HG LEU 18 HG LEU 18 3.060 -4.633 1.477 157 HD11 LEU 18 1HD1 LEU 18 3.815 -2.541 0.441 158 HD12 LEU 18 2HD1 LEU 18 5.486 -2.977 0.796 159 HD13 LEU 18 3HD1 LEU 18 4.353 -2.680 2.115 160 HD21 LEU 18 3HD2 LEU 18 5.139 -5.070 -0.665 161 HD22 LEU 18 1HD2 LEU 18 3.483 -4.528 -0.938 162 HD23 LEU 18 2HD2 LEU 18 3.787 -6.139 -0.288 163 H LYS 19 H LYS 19 5.050 -6.894 4.691 164 HA LYS 19 HA LYS 19 7.643 -7.957 4.802 165 HB2 LYS 19 2HB LYS 19 5.395 -7.646 6.746 166 HB3 LYS 19 1HB LYS 19 6.848 -8.508 7.200 167 HG2 LYS 19 2HG LYS 19 6.788 -5.687 6.170 168 HG3 LYS 19 1HG LYS 19 6.882 -6.148 7.865 169 HD2 LYS 19 2HD LYS 19 8.900 -6.940 5.778 170 HD3 LYS 19 1HD LYS 19 9.083 -5.568 6.872 171 HE2 LYS 19 2HE LYS 19 8.986 -7.070 8.789 172 HE3 LYS 19 1HE LYS 19 8.762 -8.450 7.712 173 HZ1 LYS 19 3HZ LYS 19 11.148 -6.680 7.735 174 HZ2 LYS 19 1HZ LYS 19 10.940 -8.069 6.784 175 HZ3 LYS 19 2HZ LYS 19 11.070 -8.206 8.467 176 H GLU 20 H GLU 20 4.445 -9.423 5.011 177 HA GLU 20 HA GLU 20 5.163 -12.043 5.571 178 HB2 GLU 20 2HB GLU 20 2.848 -10.612 4.369 179 HB3 GLU 20 1HB GLU 20 2.893 -12.343 4.241 180 HG2 GLU 20 2HG GLU 20 3.139 -10.870 6.838 181 HG3 GLU 20 1HG GLU 20 1.605 -11.446 6.186 182 H VAL 21 H VAL 21 4.655 -10.390 2.468 183 HA VAL 21 HA VAL 21 5.193 -12.641 0.825 184 HB VAL 21 HB VAL 21 5.429 -9.694 0.172 185 HG11 VAL 21 1HG1 VAL 21 5.171 -10.418 -2.170 186 HG12 VAL 21 2HG1 VAL 21 5.269 -12.097 -1.642 187 HG13 VAL 21 3HG1 VAL 21 6.654 -11.026 -1.435 188 HG21 VAL 21 3HG2 VAL 21 3.148 -11.634 -0.181 189 HG22 VAL 21 1HG2 VAL 21 3.197 -10.005 -0.855 190 HG23 VAL 21 2HG2 VAL 21 3.193 -10.236 0.892 191 H LEU 22 H LEU 22 7.211 -9.950 1.956 192 HA LEU 22 HA LEU 22 9.532 -10.618 0.530 193 HB2 LEU 22 2HB LEU 22 9.037 -8.479 1.789 194 HB3 LEU 22 1HB LEU 22 9.444 -9.339 3.260 195 HG LEU 22 HG LEU 22 11.728 -9.700 2.408 196 HD11 LEU 22 1HD1 LEU 22 11.217 -9.696 0.016 197 HD12 LEU 22 2HD1 LEU 22 12.476 -8.524 0.407 198 HD13 LEU 22 3HD1 LEU 22 10.828 -7.978 0.103 199 HD21 LEU 22 3HD2 LEU 22 12.483 -7.404 2.634 200 HD22 LEU 22 1HD2 LEU 22 11.198 -7.751 3.795 201 HD23 LEU 22 2HD2 LEU 22 10.846 -6.820 2.338 202 H LYS 23 H LYS 23 8.309 -11.684 3.644 203 HA LYS 23 HA LYS 23 10.474 -13.277 4.489 204 HB2 LYS 23 2HB LYS 23 8.436 -12.614 5.811 205 HB3 LYS 23 1HB LYS 23 7.519 -13.781 4.889 206 HG2 LYS 23 2HG LYS 23 9.139 -15.529 5.733 207 HG3 LYS 23 1HG LYS 23 9.714 -14.302 6.864 208 HD2 LYS 23 2HD LYS 23 6.853 -15.222 6.614 209 HD3 LYS 23 1HD LYS 23 7.987 -15.784 7.843 210 HE2 LYS 23 2HE LYS 23 8.140 -13.598 8.799 211 HE3 LYS 23 1HE LYS 23 7.242 -12.889 7.459 212 HZ1 LYS 23 3HZ LYS 23 6.010 -13.338 9.631 213 HZ2 LYS 23 1HZ LYS 23 6.028 -14.967 9.172 214 HZ3 LYS 23 2HZ LYS 23 5.254 -13.814 8.189 215 H LYS 24 H LYS 24 7.538 -14.042 2.742 216 HA LYS 24 HA LYS 24 8.079 -16.783 2.315 217 HB2 LYS 24 2HB LYS 24 6.154 -14.820 1.109 218 HB3 LYS 24 1HB LYS 24 6.220 -16.482 0.551 219 HG2 LYS 24 2HG LYS 24 5.674 -17.285 2.767 220 HG3 LYS 24 1HG LYS 24 5.728 -15.640 3.401 221 HD2 LYS 24 2HD LYS 24 3.832 -15.013 2.047 222 HD3 LYS 24 1HD LYS 24 3.825 -16.596 1.265 223 HE2 LYS 24 2HE LYS 24 3.377 -16.111 4.210 224 HE3 LYS 24 1HE LYS 24 2.098 -16.370 3.023 225 HZ1 LYS 24 3HZ LYS 24 3.072 -18.551 2.544 226 HZ2 LYS 24 1HZ LYS 24 2.594 -18.412 4.167 227 HZ3 LYS 24 2HZ LYS 24 4.232 -18.306 3.754 228 H ALA 25 H ALA 25 9.047 -13.944 0.586 229 HA ALA 25 HA ALA 25 9.635 -15.071 -1.914 230 HB1 ALA 25 1HB ALA 25 11.136 -13.176 -2.236 231 HB2 ALA 25 2HB ALA 25 11.061 -12.813 -0.511 232 HB3 ALA 25 3HB ALA 25 9.615 -12.657 -1.510 233 H LYS 26 H LYS 26 11.351 -15.132 1.117 234 HA LYS 26 HA LYS 26 13.834 -16.072 0.101 235 HB2 LYS 26 2HB LYS 26 13.529 -14.948 2.311 236 HB3 LYS 26 1HB LYS 26 12.703 -16.387 2.886 237 HG2 LYS 26 2HG LYS 26 14.695 -17.692 2.686 238 HG3 LYS 26 1HG LYS 26 15.539 -16.365 1.882 239 HD2 LYS 26 2HD LYS 26 15.321 -15.007 3.917 240 HD3 LYS 26 1HD LYS 26 14.497 -16.347 4.716 241 HE2 LYS 26 2HE LYS 26 17.298 -16.475 3.611 242 HE3 LYS 26 1HE LYS 26 16.905 -16.146 5.298 243 HZ1 LYS 26 3HZ LYS 26 17.448 -18.460 4.992 244 HZ2 LYS 26 1HZ LYS 26 16.250 -18.630 3.805 245 HZ3 LYS 26 2HZ LYS 26 15.812 -18.313 5.413 246 H GLU 27 H GLU 27 10.836 -17.569 1.015 247 HA GLU 27 HA GLU 27 11.747 -20.237 1.268 248 HB2 GLU 27 2HB GLU 27 9.037 -19.122 0.531 249 HB3 GLU 27 1HB GLU 27 9.343 -20.816 0.886 250 HG2 GLU 27 2HG GLU 27 9.984 -20.276 3.142 251 HG3 GLU 27 1HG GLU 27 9.849 -18.551 2.803 252 H GLY 28 H GLY 28 10.731 -18.285 -1.470 253 HA2 GLY 28 2HA GLY 28 11.329 -18.517 -3.682 254 HA3 GLY 28 1HA GLY 28 12.281 -19.916 -3.225 255 H ASP 29 H ASP 29 8.774 -19.255 -3.067 256 HA ASP 29 HA ASP 29 8.397 -21.548 -4.881 257 HB2 ASP 29 2HB ASP 29 7.532 -22.003 -2.613 258 HB3 ASP 29 1HB ASP 29 6.489 -20.586 -2.734 259 H GLU 30 H GLU 30 7.630 -21.012 -6.798 260 HA GLU 30 HA GLU 30 7.090 -18.290 -7.377 261 HB2 GLU 30 2HB GLU 30 6.765 -18.998 -9.680 262 HB3 GLU 30 1HB GLU 30 8.198 -19.740 -8.991 263 HG2 GLU 30 2HG GLU 30 6.903 -21.817 -8.638 264 HG3 GLU 30 1HG GLU 30 5.530 -21.057 -9.441 265 H GLN 31 H GLN 31 4.973 -21.053 -6.842 266 HA GLN 31 HA GLN 31 2.617 -19.722 -7.750 267 HB2 GLN 31 2HB GLN 31 2.991 -22.088 -5.918 268 HB3 GLN 31 1HB GLN 31 1.412 -21.464 -6.376 269 HG2 GLN 31 2HG GLN 31 2.145 -21.806 -8.783 270 HG3 GLN 31 1HG GLN 31 3.486 -22.742 -8.121 271 HE21 GLN 31 1HE2 GLN 31 0.047 -22.599 -8.602 272 HE22 GLN 31 2HE2 GLN 31 -0.282 -24.252 -8.205 273 H GLU 32 H GLU 32 4.227 -20.080 -4.633 274 HA GLU 32 HA GLU 32 2.367 -18.723 -3.040 275 HB2 GLU 32 2HB GLU 32 4.432 -19.992 -2.274 276 HB3 GLU 32 1HB GLU 32 5.374 -18.578 -2.726 277 HG2 GLU 32 2HG GLU 32 5.058 -18.315 -0.453 278 HG3 GLU 32 1HG GLU 32 3.807 -17.289 -1.153 279 H LEU 33 H LEU 33 5.192 -17.514 -4.826 280 HA LEU 33 HA LEU 33 4.943 -14.810 -4.140 281 HB2 LEU 33 2HB LEU 33 6.067 -15.991 -6.684 282 HB3 LEU 33 1HB LEU 33 6.346 -14.359 -6.107 283 HG LEU 33 HG LEU 33 7.262 -16.894 -4.748 284 HD11 LEU 33 1HD1 LEU 33 8.511 -16.399 -6.777 285 HD12 LEU 33 2HD1 LEU 33 9.503 -16.115 -5.346 286 HD13 LEU 33 3HD1 LEU 33 8.798 -14.751 -6.211 287 HD21 LEU 33 3HD2 LEU 33 8.450 -15.413 -3.219 288 HD22 LEU 33 1HD2 LEU 33 6.710 -15.139 -3.136 289 HD23 LEU 33 2HD2 LEU 33 7.742 -14.006 -4.010 290 H ALA 34 H ALA 34 3.626 -16.612 -6.895 291 HA ALA 34 HA ALA 34 2.440 -14.429 -8.208 292 HB1 ALA 34 1HB ALA 34 1.071 -16.085 -9.362 293 HB2 ALA 34 2HB ALA 34 1.544 -17.310 -8.185 294 HB3 ALA 34 3HB ALA 34 2.751 -16.615 -9.266 295 H ARG 35 H ARG 35 1.171 -16.672 -5.785 296 HA ARG 35 HA ARG 35 -1.448 -15.633 -5.656 297 HB2 ARG 35 2HB ARG 35 0.029 -17.697 -4.460 298 HB3 ARG 35 1HB ARG 35 -0.492 -16.678 -3.128 299 HG2 ARG 35 2HG ARG 35 -2.804 -16.924 -3.807 300 HG3 ARG 35 1HG ARG 35 -2.311 -17.865 -5.216 301 HD2 ARG 35 2HD ARG 35 -1.284 -19.518 -3.652 302 HD3 ARG 35 1HD ARG 35 -1.993 -18.616 -2.314 303 HE ARG 35 HE ARG 35 -4.020 -19.237 -4.149 304 HH11 ARG 35 1HH1 ARG 35 -1.866 -20.874 -1.919 305 HH12 ARG 35 2HH1 ARG 35 -2.992 -22.163 -1.590 306 HH21 ARG 35 1HH2 ARG 35 -5.484 -20.959 -3.736 307 HH22 ARG 35 2HH2 ARG 35 -5.012 -22.229 -2.647 308 H LEU 36 H LEU 36 1.505 -14.937 -3.866 309 HA LEU 36 HA LEU 36 0.438 -13.126 -2.003 310 HB2 LEU 36 2HB LEU 36 3.201 -13.384 -3.166 311 HB3 LEU 36 1HB LEU 36 2.804 -12.299 -1.849 312 HG LEU 36 HG LEU 36 2.459 -15.296 -1.748 313 HD11 LEU 36 1HD1 LEU 36 4.418 -15.245 -0.261 314 HD12 LEU 36 2HD1 LEU 36 4.636 -13.536 -0.638 315 HD13 LEU 36 3HD1 LEU 36 4.802 -14.748 -1.908 316 HD21 LEU 36 3HD2 LEU 36 2.301 -13.189 0.402 317 HD22 LEU 36 1HD2 LEU 36 2.161 -14.929 0.647 318 HD23 LEU 36 2HD2 LEU 36 0.937 -14.068 -0.288 319 H ASN 37 H ASN 37 1.864 -12.587 -5.216 320 HA ASN 37 HA ASN 37 1.881 -9.785 -5.110 321 HB2 ASN 37 2HB ASN 37 2.986 -11.282 -6.865 322 HB3 ASN 37 1HB ASN 37 1.408 -11.350 -7.646 323 HD21 ASN 37 1HD2 ASN 37 1.957 -10.209 -9.487 324 HD22 ASN 37 2HD2 ASN 37 2.399 -8.535 -9.461 325 H GLN 38 H GLN 38 -0.627 -12.061 -6.103 326 HA GLN 38 HA GLN 38 -2.481 -10.200 -7.046 327 HB2 GLN 38 2HB GLN 38 -2.783 -12.951 -5.851 328 HB3 GLN 38 1HB GLN 38 -4.082 -12.063 -6.598 329 HG2 GLN 38 2HG GLN 38 -1.565 -12.960 -7.953 330 HG3 GLN 38 1HG GLN 38 -3.163 -13.681 -8.136 331 HE21 GLN 38 1HE2 GLN 38 -1.119 -10.998 -8.941 332 HE22 GLN 38 2HE2 GLN 38 -2.135 -10.328 -10.163 333 H GLU 39 H GLU 39 -1.901 -11.587 -3.841 334 HA GLU 39 HA GLU 39 -4.060 -10.367 -2.504 335 HB2 GLU 39 2HB GLU 39 -2.688 -12.228 -1.586 336 HB3 GLU 39 1HB GLU 39 -1.346 -11.112 -1.391 337 HG2 GLU 39 2HG GLU 39 -2.374 -11.381 0.724 338 HG3 GLU 39 1HG GLU 39 -2.784 -9.768 0.142 339 H ILE 40 H ILE 40 -0.738 -9.319 -3.131 340 HA ILE 40 HA ILE 40 -0.773 -6.915 -1.686 341 HB ILE 40 HB ILE 40 0.736 -7.549 -4.233 342 HG12 ILE 40 2HG1 ILE 40 1.615 -7.698 -1.339 343 HG13 ILE 40 1HG1 ILE 40 1.194 -9.085 -2.338 344 HG21 ILE 40 1HG2 ILE 40 0.608 -5.144 -3.848 345 HG22 ILE 40 2HG2 ILE 40 2.248 -5.737 -3.577 346 HG23 ILE 40 3HG2 ILE 40 1.206 -5.368 -2.203 347 HD11 ILE 40 3HD1 ILE 40 3.465 -7.181 -2.850 348 HD12 ILE 40 1HD1 ILE 40 3.048 -8.590 -3.826 349 HD13 ILE 40 2HD1 ILE 40 3.600 -8.800 -2.165 350 H VAL 41 H VAL 41 -1.503 -7.515 -5.127 351 HA VAL 41 HA VAL 41 -2.213 -4.875 -5.783 352 HB VAL 41 HB VAL 41 -3.208 -7.459 -7.009 353 HG11 VAL 41 1HG1 VAL 41 -4.667 -5.592 -7.575 354 HG12 VAL 41 2HG1 VAL 41 -3.743 -6.114 -8.981 355 HG13 VAL 41 3HG1 VAL 41 -3.276 -4.652 -8.114 356 HG21 VAL 41 3HG2 VAL 41 -0.790 -7.264 -7.108 357 HG22 VAL 41 1HG2 VAL 41 -0.930 -5.646 -7.796 358 HG23 VAL 41 2HG2 VAL 41 -1.487 -7.045 -8.714 359 H LYS 42 H LYS 42 -4.159 -7.607 -4.646 360 HA LYS 42 HA LYS 42 -6.678 -6.382 -4.797 361 HB2 LYS 42 2HB LYS 42 -6.305 -8.807 -4.499 362 HB3 LYS 42 1HB LYS 42 -5.703 -8.513 -2.879 363 HG2 LYS 42 2HG LYS 42 -8.465 -7.650 -3.618 364 HG3 LYS 42 1HG LYS 42 -8.132 -9.340 -3.239 365 HD2 LYS 42 2HD LYS 42 -7.109 -8.553 -1.087 366 HD3 LYS 42 1HD LYS 42 -7.712 -6.939 -1.465 367 HE2 LYS 42 2HE LYS 42 -9.993 -7.805 -1.525 368 HE3 LYS 42 1HE LYS 42 -9.395 -9.425 -1.164 369 HZ1 LYS 42 3HZ LYS 42 -9.267 -7.039 0.596 370 HZ2 LYS 42 1HZ LYS 42 -8.481 -8.505 0.930 371 HZ3 LYS 42 2HZ LYS 42 -10.174 -8.447 0.844 372 H ALA 43 H ALA 43 -4.333 -6.550 -2.134 373 HA ALA 43 HA ALA 43 -5.949 -5.146 -0.275 374 HB1 ALA 43 1HB ALA 43 -3.970 -5.017 1.097 375 HB2 ALA 43 2HB ALA 43 -2.949 -5.431 -0.279 376 HB3 ALA 43 3HB ALA 43 -4.079 -6.619 0.370 377 H GLU 44 H GLU 44 -3.303 -4.107 -2.401 378 HA GLU 44 HA GLU 44 -3.174 -1.443 -1.508 379 HB2 GLU 44 2HB GLU 44 -1.427 -2.550 -2.866 380 HB3 GLU 44 1HB GLU 44 -2.511 -2.536 -4.250 381 HG2 GLU 44 2HG GLU 44 -1.331 -0.675 -4.722 382 HG3 GLU 44 1HG GLU 44 -2.568 0.051 -3.699 383 H LYS 45 H LYS 45 -4.927 -2.904 -4.247 384 HA LYS 45 HA LYS 45 -6.091 -0.505 -5.172 385 HB2 LYS 45 2HB LYS 45 -5.999 -2.544 -6.541 386 HB3 LYS 45 1HB LYS 45 -7.112 -3.341 -5.438 387 HG2 LYS 45 2HG LYS 45 -8.868 -1.796 -6.024 388 HG3 LYS 45 1HG LYS 45 -7.757 -0.883 -7.047 389 HD2 LYS 45 2HD LYS 45 -7.490 -2.831 -8.499 390 HD3 LYS 45 1HD LYS 45 -8.586 -3.753 -7.468 391 HE2 LYS 45 2HE LYS 45 -9.722 -2.896 -9.464 392 HE3 LYS 45 1HE LYS 45 -10.398 -2.219 -7.984 393 HZ1 LYS 45 3HZ LYS 45 -10.110 -0.538 -9.708 394 HZ2 LYS 45 1HZ LYS 45 -8.443 -0.854 -9.761 395 HZ3 LYS 45 2HZ LYS 45 -9.141 -0.197 -8.360 396 H GLN 46 H GLN 46 -7.115 -2.908 -2.816 397 HA GLN 46 HA GLN 46 -9.666 -1.915 -2.222 398 HB2 GLN 46 2HB GLN 46 -8.704 -4.074 -1.432 399 HB3 GLN 46 1HB GLN 46 -7.677 -3.178 -0.329 400 HG2 GLN 46 2HG GLN 46 -9.635 -2.347 0.846 401 HG3 GLN 46 1HG GLN 46 -10.685 -3.213 -0.278 402 HE21 GLN 46 1HE2 GLN 46 -8.418 -3.523 2.341 403 HE22 GLN 46 2HE2 GLN 46 -8.768 -5.178 2.718 404 H GLY 47 H GLY 47 -6.480 -1.113 -0.922 405 HA2 GLY 47 2HA GLY 47 -7.275 0.865 0.913 406 HA3 GLY 47 1HA GLY 47 -5.702 0.779 0.129 407 H VAL 48 H VAL 48 -6.334 1.141 -2.504 408 HA VAL 48 HA VAL 48 -6.627 3.914 -2.770 409 HB VAL 48 HB VAL 48 -7.110 1.780 -4.865 410 HG11 VAL 48 1HG1 VAL 48 -6.527 4.725 -5.195 411 HG12 VAL 48 2HG1 VAL 48 -8.056 3.919 -5.549 412 HG13 VAL 48 3HG1 VAL 48 -6.621 3.543 -6.502 413 HG21 VAL 48 3HG2 VAL 48 -4.886 1.653 -3.850 414 HG22 VAL 48 1HG2 VAL 48 -4.618 3.356 -4.217 415 HG23 VAL 48 2HG2 VAL 48 -4.797 2.190 -5.527 416 H LYS 49 H LYS 49 -8.991 1.312 -3.010 417 HA LYS 49 HA LYS 49 -11.220 2.723 -3.902 418 HB2 LYS 49 2HB LYS 49 -11.179 0.298 -3.665 419 HB3 LYS 49 1HB LYS 49 -11.026 0.442 -1.924 420 HG2 LYS 49 2HG LYS 49 -13.259 1.367 -1.771 421 HG3 LYS 49 1HG LYS 49 -13.416 1.322 -3.530 422 HD2 LYS 49 2HD LYS 49 -13.322 -1.069 -3.550 423 HD3 LYS 49 1HD LYS 49 -12.897 -1.122 -1.840 424 HE2 LYS 49 2HE LYS 49 -15.243 -1.714 -2.206 425 HE3 LYS 49 1HE LYS 49 -15.089 -0.244 -1.247 426 HZ1 LYS 49 3HZ LYS 49 -16.814 -0.137 -2.996 427 HZ2 LYS 49 1HZ LYS 49 -15.598 -0.271 -4.170 428 HZ3 LYS 49 2HZ LYS 49 -15.637 1.074 -3.137 429 H VAL 50 H VAL 50 -10.066 2.210 -0.594 430 HA VAL 50 HA VAL 50 -12.052 3.861 0.636 431 HB VAL 50 HB VAL 50 -9.357 3.012 1.726 432 HG11 VAL 50 1HG1 VAL 50 -10.344 3.397 3.922 433 HG12 VAL 50 2HG1 VAL 50 -11.838 3.947 3.164 434 HG13 VAL 50 3HG1 VAL 50 -10.351 4.874 2.958 435 HG21 VAL 50 3HG2 VAL 50 -10.634 1.214 2.853 436 HG22 VAL 50 1HG2 VAL 50 -10.632 1.065 1.096 437 HG23 VAL 50 2HG2 VAL 50 -12.057 1.687 1.925 438 H TYR 51 H TYR 51 -8.690 4.397 -0.384 439 HA TYR 51 HA TYR 51 -8.345 6.960 0.673 440 HB2 TYR 51 2HB TYR 51 -7.097 5.432 -1.554 441 HB3 TYR 51 1HB TYR 51 -6.818 7.168 -1.505 442 HD1 TYR 51 2HD TYR 51 -5.748 8.174 0.526 443 HD2 TYR 51 1HD TYR 51 -5.942 3.970 -0.082 444 HE1 TYR 51 2HE TYR 51 -3.961 7.858 2.182 445 HE2 TYR 51 1HE TYR 51 -4.156 3.640 1.576 446 HH TYR 51 HH TYR 51 -2.308 4.913 2.575 447 H LYS 52 H LYS 52 -9.753 5.960 -2.419 448 HA LYS 52 HA LYS 52 -10.128 8.540 -3.485 449 HB2 LYS 52 2HB LYS 52 -10.324 6.340 -4.710 450 HB3 LYS 52 1HB LYS 52 -11.897 6.137 -3.959 451 HG2 LYS 52 2HG LYS 52 -12.738 8.101 -5.070 452 HG3 LYS 52 1HG LYS 52 -11.138 8.454 -5.725 453 HD2 LYS 52 2HD LYS 52 -12.718 5.955 -6.329 454 HD3 LYS 52 1HD LYS 52 -12.675 7.386 -7.363 455 HE2 LYS 52 2HE LYS 52 -10.293 7.129 -7.685 456 HE3 LYS 52 1HE LYS 52 -10.252 5.783 -6.548 457 HZ1 LYS 52 3HZ LYS 52 -11.706 4.544 -8.067 458 HZ2 LYS 52 1HZ LYS 52 -10.228 4.957 -8.791 459 HZ3 LYS 52 2HZ LYS 52 -11.637 5.819 -9.180 460 H GLU 53 H GLU 53 -12.145 6.496 -1.441 461 HA GLU 53 HA GLU 53 -14.367 8.221 -1.288 462 HB2 GLU 53 2HB GLU 53 -13.342 5.956 0.395 463 HB3 GLU 53 1HB GLU 53 -14.733 6.883 0.906 464 HG2 GLU 53 2HG GLU 53 -15.693 6.353 -1.408 465 HG3 GLU 53 1HG GLU 53 -14.428 5.126 -1.485 466 H ALA 54 H ALA 54 -11.455 7.869 0.668 467 HA ALA 54 HA ALA 54 -12.173 9.675 2.707 468 HB1 ALA 54 1HB ALA 54 -9.825 9.658 3.314 469 HB2 ALA 54 2HB ALA 54 -9.408 8.936 1.759 470 HB3 ALA 54 3HB ALA 54 -10.368 8.025 2.924 471 H ALA 55 H ALA 55 -10.649 10.117 -0.425 472 HA ALA 55 HA ALA 55 -9.734 12.748 -0.096 473 HB1 ALA 55 1HB ALA 55 -9.703 12.874 -2.517 474 HB2 ALA 55 2HB ALA 55 -10.745 11.455 -2.623 475 HB3 ALA 55 3HB ALA 55 -9.110 11.301 -1.979 476 H GLU 56 H GLU 56 -12.899 11.500 -1.079 477 HA GLU 56 HA GLU 56 -13.984 14.115 -1.587 478 HB2 GLU 56 2HB GLU 56 -15.400 11.471 -1.207 479 HB3 GLU 56 1HB GLU 56 -16.148 12.953 -1.783 480 HG2 GLU 56 2HG GLU 56 -14.561 12.906 -3.710 481 HG3 GLU 56 1HG GLU 56 -14.049 11.308 -3.163 482 H LYS 57 H LYS 57 -13.793 11.938 1.108 483 HA LYS 57 HA LYS 57 -15.841 13.241 2.649 484 HB2 LYS 57 2HB LYS 57 -14.835 10.758 2.678 485 HB3 LYS 57 1HB LYS 57 -13.838 11.469 3.936 486 HG2 LYS 57 2HG LYS 57 -16.839 11.593 3.952 487 HG3 LYS 57 1HG LYS 57 -15.923 10.287 4.698 488 HD2 LYS 57 2HD LYS 57 -15.588 13.202 5.412 489 HD3 LYS 57 1HD LYS 57 -16.661 12.096 6.268 490 HE2 LYS 57 2HE LYS 57 -14.663 12.182 7.522 491 HE3 LYS 57 1HE LYS 57 -14.643 10.638 6.674 492 HZ1 LYS 57 3HZ LYS 57 -13.178 11.668 5.005 493 HZ2 LYS 57 1HZ LYS 57 -12.486 11.671 6.551 494 HZ3 LYS 57 2HZ LYS 57 -13.149 13.092 5.915 495 H ALA 58 H ALA 58 -12.472 13.653 2.129 496 HA ALA 58 HA ALA 58 -11.662 14.778 4.566 497 HB1 ALA 58 1HB ALA 58 -9.794 15.719 3.313 498 HB2 ALA 58 2HB ALA 58 -10.618 15.357 1.796 499 HB3 ALA 58 3HB ALA 58 -10.090 14.045 2.849 500 H ARG 59 H ARG 59 -11.943 16.700 5.477 501 HA ARG 59 HA ARG 59 -13.663 18.638 4.179 502 HB2 ARG 59 2HB ARG 59 -14.103 18.133 6.503 503 HB3 ARG 59 1HB ARG 59 -12.449 18.524 6.947 504 HG2 ARG 59 2HG ARG 59 -13.791 20.343 7.626 505 HG3 ARG 59 1HG ARG 59 -12.909 20.875 6.197 506 HD2 ARG 59 2HD ARG 59 -15.137 21.641 5.945 507 HD3 ARG 59 1HD ARG 59 -14.941 20.275 4.846 508 HE ARG 59 HE ARG 59 -16.274 18.952 6.307 509 HH11 ARG 59 1HH1 ARG 59 -16.065 22.323 7.257 510 HH12 ARG 59 2HH1 ARG 59 -17.485 22.262 8.260 511 HH21 ARG 59 1HH2 ARG 59 -18.139 18.862 7.619 512 HH22 ARG 59 2HH2 ARG 59 -18.674 20.297 8.448 513 H ASN 60 H ASN 60 -10.344 18.472 5.398 514 HA ASN 60 HA ASN 60 -9.869 21.236 4.651 515 HB2 ASN 60 2HB ASN 60 -8.104 19.170 5.975 516 HB3 ASN 60 1HB ASN 60 -7.568 20.797 5.579 517 HD21 ASN 60 1HD2 ASN 60 -7.181 21.285 7.741 518 HD22 ASN 60 2HD2 ASN 60 -8.475 21.581 8.856 519 HA PRO 61 HA PRO 61 -8.600 20.147 0.552 520 HB2 PRO 61 2HB PRO 61 -7.310 22.531 0.020 521 HB3 PRO 61 1HB PRO 61 -9.047 22.265 -0.148 522 HG2 PRO 61 2HG PRO 61 -7.533 23.537 2.092 523 HG3 PRO 61 1HG PRO 61 -9.089 24.003 1.380 524 HD2 PRO 61 2HD PRO 61 -8.945 22.695 3.717 525 HD3 PRO 61 1HD PRO 61 -10.255 22.395 2.561 526 H GLU 62 H GLU 62 -6.294 21.607 2.828 527 HA GLU 62 HA GLU 62 -3.963 20.919 1.453 528 HB2 GLU 62 2HB GLU 62 -4.489 21.401 4.375 529 HB3 GLU 62 1HB GLU 62 -2.903 21.299 3.659 530 HG2 GLU 62 2HG GLU 62 -3.556 23.212 2.171 531 HG3 GLU 62 1HG GLU 62 -5.008 23.369 3.155 532 H LYS 63 H LYS 63 -5.742 19.291 4.044 533 HA LYS 63 HA LYS 63 -4.076 17.024 4.231 534 HB2 LYS 63 2HB LYS 63 -7.032 17.274 4.830 535 HB3 LYS 63 1HB LYS 63 -6.023 15.908 5.289 536 HG2 LYS 63 2HG LYS 63 -4.670 17.383 6.696 537 HG3 LYS 63 1HG LYS 63 -5.695 18.747 6.241 538 HD2 LYS 63 2HD LYS 63 -7.643 17.523 7.180 539 HD3 LYS 63 1HD LYS 63 -6.541 16.267 7.739 540 HE2 LYS 63 2HE LYS 63 -6.381 19.169 8.538 541 HE3 LYS 63 1HE LYS 63 -7.173 17.916 9.489 542 HZ1 LYS 63 3HZ LYS 63 -5.059 16.776 9.708 543 HZ2 LYS 63 1HZ LYS 63 -4.931 18.369 10.272 544 HZ3 LYS 63 2HZ LYS 63 -4.289 17.956 8.760 545 H ARG 64 H ARG 64 -6.860 17.780 2.213 546 HA ARG 64 HA ARG 64 -7.237 15.245 1.074 547 HB2 ARG 64 2HB ARG 64 -8.921 16.982 0.884 548 HB3 ARG 64 1HB ARG 64 -7.822 17.998 -0.033 549 HG2 ARG 64 2HG ARG 64 -8.448 15.318 -1.138 550 HG3 ARG 64 1HG ARG 64 -9.715 16.544 -1.186 551 HD2 ARG 64 2HD ARG 64 -8.401 17.997 -2.494 552 HD3 ARG 64 1HD ARG 64 -6.929 17.084 -2.170 553 HE ARG 64 HE ARG 64 -8.805 15.447 -3.499 554 HH11 ARG 64 1HH1 ARG 64 -6.732 18.204 -4.091 555 HH12 ARG 64 2HH1 ARG 64 -6.415 17.772 -5.748 556 HH21 ARG 64 1HH2 ARG 64 -8.367 14.846 -5.663 557 HH22 ARG 64 2HH2 ARG 64 -7.335 15.855 -6.638 558 H GLN 65 H GLN 65 -5.063 17.879 0.226 559 HA GLN 65 HA GLN 65 -4.140 16.842 -2.240 560 HB2 GLN 65 2HB GLN 65 -3.785 19.175 -1.402 561 HB3 GLN 65 1HB GLN 65 -2.610 18.546 -0.262 562 HG2 GLN 65 2HG GLN 65 -1.199 17.790 -2.072 563 HG3 GLN 65 1HG GLN 65 -2.394 18.318 -3.256 564 HE21 GLN 65 1HE2 GLN 65 -0.001 19.332 -0.946 565 HE22 GLN 65 2HE2 GLN 65 0.147 20.962 -1.521 566 H VAL 66 H VAL 66 -3.039 16.417 1.071 567 HA VAL 66 HA VAL 66 -0.808 14.800 0.552 568 HB VAL 66 HB VAL 66 -2.677 14.626 2.927 569 HG11 VAL 66 1HG1 VAL 66 -0.768 13.690 4.116 570 HG12 VAL 66 2HG1 VAL 66 0.203 13.782 2.646 571 HG13 VAL 66 3HG1 VAL 66 -1.184 12.695 2.719 572 HG21 VAL 66 3HG2 VAL 66 -1.853 16.893 2.637 573 HG22 VAL 66 1HG2 VAL 66 -0.198 16.293 2.527 574 HG23 VAL 66 2HG2 VAL 66 -1.093 16.138 4.037 575 H ILE 67 H ILE 67 -4.222 13.985 1.024 576 HA ILE 67 HA ILE 67 -3.963 11.188 0.829 577 HB ILE 67 HB ILE 67 -6.342 12.911 0.116 578 HG12 ILE 67 2HG1 ILE 67 -5.673 11.444 2.678 579 HG13 ILE 67 1HG1 ILE 67 -5.526 13.182 2.439 580 HG21 ILE 67 1HG2 ILE 67 -6.207 9.956 0.722 581 HG22 ILE 67 2HG2 ILE 67 -6.503 10.677 -0.861 582 HG23 ILE 67 3HG2 ILE 67 -7.678 10.886 0.437 583 HD11 ILE 67 3HD1 ILE 67 -7.544 12.647 3.653 584 HD12 ILE 67 1HD1 ILE 67 -8.078 11.590 2.346 585 HD13 ILE 67 2HD1 ILE 67 -7.937 13.328 2.075 586 H ASP 68 H ASP 68 -4.673 13.662 -1.620 587 HA ASP 68 HA ASP 68 -5.027 11.986 -3.833 588 HB2 ASP 68 2HB ASP 68 -5.565 14.347 -3.944 589 HB3 ASP 68 1HB ASP 68 -3.886 14.783 -3.692 590 H LYS 69 H LYS 69 -2.097 13.460 -2.526 591 HA LYS 69 HA LYS 69 -0.267 12.468 -4.402 592 HB2 LYS 69 2HB LYS 69 0.130 12.945 -1.448 593 HB3 LYS 69 1HB LYS 69 1.433 12.624 -2.580 594 HG2 LYS 69 2HG LYS 69 0.810 14.675 -3.815 595 HG3 LYS 69 1HG LYS 69 -0.408 15.005 -2.578 596 HD2 LYS 69 2HD LYS 69 1.592 16.254 -2.074 597 HD3 LYS 69 1HD LYS 69 1.381 14.981 -0.869 598 HE2 LYS 69 2HE LYS 69 2.928 13.585 -2.356 599 HE3 LYS 69 1HE LYS 69 3.324 15.101 -3.158 600 HZ1 LYS 69 3HZ LYS 69 4.940 14.972 -1.555 601 HZ2 LYS 69 1HZ LYS 69 3.919 14.244 -0.410 602 HZ3 LYS 69 2HZ LYS 69 3.770 15.896 -0.746 603 H ILE 70 H ILE 70 -1.433 10.965 -1.394 604 HA ILE 70 HA ILE 70 0.165 8.631 -1.635 605 HB ILE 70 HB ILE 70 -2.433 8.948 -0.116 606 HG12 ILE 70 2HG1 ILE 70 0.429 9.300 0.821 607 HG13 ILE 70 1HG1 ILE 70 -0.707 10.612 0.530 608 HG21 ILE 70 1HG2 ILE 70 -0.186 6.957 0.193 609 HG22 ILE 70 2HG2 ILE 70 -1.776 6.615 -0.485 610 HG23 ILE 70 3HG2 ILE 70 -1.621 7.062 1.213 611 HD11 ILE 70 3HD1 ILE 70 -0.524 10.126 2.893 612 HD12 ILE 70 1HD1 ILE 70 -0.984 8.450 2.600 613 HD13 ILE 70 2HD1 ILE 70 -2.143 9.746 2.308 614 H LEU 71 H LEU 71 -3.120 9.445 -2.636 615 HA LEU 71 HA LEU 71 -3.975 6.993 -3.623 616 HB2 LEU 71 2HB LEU 71 -4.574 9.837 -4.091 617 HB3 LEU 71 1HB LEU 71 -4.996 8.775 -5.412 618 HG LEU 71 HG LEU 71 -5.942 8.349 -2.583 619 HD11 LEU 71 1HD1 LEU 71 -6.781 10.481 -3.406 620 HD12 LEU 71 2HD1 LEU 71 -8.078 9.288 -3.332 621 HD13 LEU 71 3HD1 LEU 71 -7.346 9.700 -4.883 622 HD21 LEU 71 3HD2 LEU 71 -5.954 6.356 -3.985 623 HD22 LEU 71 1HD2 LEU 71 -6.843 7.224 -5.235 624 HD23 LEU 71 2HD2 LEU 71 -7.600 6.906 -3.674 625 H GLU 72 H GLU 72 -2.052 9.518 -5.136 626 HA GLU 72 HA GLU 72 -1.821 8.371 -7.699 627 HB2 GLU 72 2HB GLU 72 -1.228 10.760 -6.698 628 HB3 GLU 72 1HB GLU 72 0.359 10.048 -6.485 629 HG2 GLU 72 2HG GLU 72 -1.079 10.178 -9.119 630 HG3 GLU 72 1HG GLU 72 0.052 11.400 -8.550 631 H ASP 73 H ASP 73 0.113 8.096 -4.763 632 HA ASP 73 HA ASP 73 2.226 6.592 -5.912 633 HB2 ASP 73 2HB ASP 73 1.372 7.251 -3.131 634 HB3 ASP 73 1HB ASP 73 2.527 5.943 -3.366 635 H GLU 74 H GLU 74 -0.661 5.612 -4.059 636 HA GLU 74 HA GLU 74 0.092 2.869 -3.996 637 HB2 GLU 74 2HB GLU 74 -2.677 4.044 -3.688 638 HB3 GLU 74 1HB GLU 74 -2.169 2.436 -3.195 639 HG2 GLU 74 2HG GLU 74 -1.148 5.029 -2.053 640 HG3 GLU 74 1HG GLU 74 -2.332 3.968 -1.302 641 H GLU 75 H GLU 75 -2.108 4.712 -6.093 642 HA GLU 75 HA GLU 75 -2.946 2.697 -7.790 643 HB2 GLU 75 2HB GLU 75 -3.879 4.942 -7.728 644 HB3 GLU 75 1HB GLU 75 -2.347 5.627 -8.218 645 HG2 GLU 75 2HG GLU 75 -3.260 3.720 -10.146 646 HG3 GLU 75 1HG GLU 75 -4.478 4.957 -9.827 647 H LYS 76 H LYS 76 0.010 4.549 -7.654 648 HA LYS 76 HA LYS 76 1.223 3.756 -10.088 649 HB2 LYS 76 2HB LYS 76 1.799 5.638 -8.381 650 HB3 LYS 76 1HB LYS 76 2.697 4.392 -7.538 651 HG2 LYS 76 2HG LYS 76 3.770 4.084 -9.946 652 HG3 LYS 76 1HG LYS 76 3.290 5.777 -10.081 653 HD2 LYS 76 2HD LYS 76 5.286 4.500 -8.271 654 HD3 LYS 76 1HD LYS 76 5.399 6.002 -9.185 655 HE2 LYS 76 2HE LYS 76 3.587 5.663 -6.799 656 HE3 LYS 76 1HE LYS 76 5.255 6.212 -6.660 657 HZ1 LYS 76 3HZ LYS 76 3.693 8.052 -6.700 658 HZ2 LYS 76 1HZ LYS 76 3.122 7.573 -8.222 659 HZ3 LYS 76 2HZ LYS 76 4.720 8.104 -8.045 660 H HIS 77 H HIS 77 1.435 2.502 -6.767 661 HA HIS 77 HA HIS 77 3.434 0.579 -7.253 662 HB2 HIS 77 2HB HIS 77 1.256 0.549 -5.150 663 HB3 HIS 77 1HB HIS 77 2.687 -0.472 -5.145 664 HD2 HIS 77 2HD HIS 77 4.674 2.201 -5.942 665 HE1 HIS 77 1HE HIS 77 3.500 3.301 -2.026 666 HE2 HIS 77 2HE HIS 77 5.296 3.522 -3.796 667 H ILE 78 H ILE 78 -0.102 0.387 -7.329 668 HA ILE 78 HA ILE 78 -0.408 -2.338 -7.819 669 HB ILE 78 HB ILE 78 -2.057 -0.117 -9.048 670 HG12 ILE 78 2HG1 ILE 78 -2.482 -1.570 -6.427 671 HG13 ILE 78 1HG1 ILE 78 -1.858 0.071 -6.574 672 HG21 ILE 78 1HG2 ILE 78 -3.858 -1.803 -9.053 673 HG22 ILE 78 2HG2 ILE 78 -2.700 -3.010 -8.494 674 HG23 ILE 78 3HG2 ILE 78 -2.496 -2.259 -10.077 675 HD11 ILE 78 3HD1 ILE 78 -4.214 0.056 -5.997 676 HD12 ILE 78 1HD1 ILE 78 -4.577 -0.865 -7.455 677 HD13 ILE 78 2HD1 ILE 78 -3.956 0.781 -7.584 678 H GLU 79 H GLU 79 0.123 0.336 -10.056 679 HA GLU 79 HA GLU 79 -0.004 -1.055 -12.449 680 HB2 GLU 79 2HB GLU 79 1.403 1.448 -11.584 681 HB3 GLU 79 1HB GLU 79 1.557 0.860 -13.225 682 HG2 GLU 79 2HG GLU 79 -0.942 1.735 -11.810 683 HG3 GLU 79 1HG GLU 79 -0.175 2.482 -13.209 684 H TRP 80 H TRP 80 2.751 -0.587 -10.255 685 HA TRP 80 HA TRP 80 4.699 -1.777 -11.933 686 HB2 TRP 80 2HB TRP 80 4.577 -1.615 -8.916 687 HB3 TRP 80 1HB TRP 80 5.986 -2.124 -9.833 688 HD1 TRP 80 HD TRP 80 5.246 0.459 -11.995 689 HE1 TRP 80 1HE TRP 80 6.208 2.738 -11.271 690 HE3 TRP 80 3HE TRP 80 6.109 -0.558 -7.059 691 HZ2 TRP 80 2HZ TRP 80 7.202 3.934 -8.915 692 HZ3 TRP 80 3HZ TRP 80 7.071 1.202 -5.632 693 HH2 TRP 80 HH TRP 80 7.607 3.405 -6.553 694 H HIS 81 H HIS 81 2.647 -3.085 -9.346 695 HA HIS 81 HA HIS 81 3.822 -5.671 -9.415 696 HB2 HIS 81 2HB HIS 81 1.360 -4.552 -8.110 697 HB3 HIS 81 1HB HIS 81 1.713 -6.278 -8.055 698 HD1 HIS 81 1HD HIS 81 3.607 -7.054 -6.509 699 HD2 HIS 81 2HD HIS 81 3.169 -2.920 -6.673 700 HE1 HIS 81 1HE HIS 81 5.105 -6.103 -4.704 701 H LYS 82 H LYS 82 1.090 -4.232 -11.057 702 HA LYS 82 HA LYS 82 -0.106 -6.593 -12.016 703 HB2 LYS 82 2HB LYS 82 -0.022 -3.766 -13.056 704 HB3 LYS 82 1HB LYS 82 -0.895 -5.035 -13.906 705 HG2 LYS 82 2HG LYS 82 -2.424 -5.310 -12.153 706 HG3 LYS 82 1HG LYS 82 -1.406 -4.432 -11.012 707 HD2 LYS 82 2HD LYS 82 -3.351 -3.110 -11.769 708 HD3 LYS 82 1HD LYS 82 -1.808 -2.361 -12.178 709 HE2 LYS 82 2HE LYS 82 -1.993 -3.172 -14.458 710 HE3 LYS 82 1HE LYS 82 -3.505 -3.991 -14.066 711 HZ1 LYS 82 3HZ LYS 82 -3.134 -1.061 -13.764 712 HZ2 LYS 82 1HZ LYS 82 -4.588 -1.938 -13.739 713 HZ3 LYS 82 2HZ LYS 82 -3.722 -1.771 -15.189 714 H ALA 83 H ALA 83 2.629 -4.718 -13.178 715 HA ALA 83 HA ALA 83 2.875 -6.086 -15.669 716 HB1 ALA 83 1HB ALA 83 3.780 -3.848 -15.326 717 HB2 ALA 83 2HB ALA 83 5.039 -4.973 -15.833 718 HB3 ALA 83 3HB ALA 83 4.921 -4.483 -14.142 719 H ALA 84 H ALA 84 4.049 -6.648 -12.436 720 HA ALA 84 HA ALA 84 6.223 -8.326 -13.073 721 HB1 ALA 84 1HB ALA 84 5.974 -7.222 -10.898 722 HB2 ALA 84 2HB ALA 84 6.196 -8.965 -10.730 723 HB3 ALA 84 3HB ALA 84 4.591 -8.258 -10.541 724 H SER 85 H SER 85 2.795 -8.975 -12.618 725 HA SER 85 HA SER 85 3.176 -11.829 -12.503 726 HB2 SER 85 2HB SER 85 0.749 -10.056 -12.472 727 HB3 SER 85 1HB SER 85 0.600 -11.806 -12.634 728 HG SER 85 HG SER 85 1.572 -12.069 -10.657 729 H LYS 86 H LYS 86 3.870 -10.148 -14.979 730 HA LYS 86 HA LYS 86 2.279 -11.260 -17.068 731 HB2 LYS 86 2HB LYS 86 3.771 -9.264 -17.330 732 HB3 LYS 86 1HB LYS 86 5.161 -10.332 -17.191 733 HG2 LYS 86 2HG LYS 86 4.468 -11.504 -19.215 734 HG3 LYS 86 1HG LYS 86 3.062 -10.445 -19.350 735 HD2 LYS 86 2HD LYS 86 5.930 -9.511 -19.375 736 HD3 LYS 86 1HD LYS 86 4.946 -9.767 -20.815 737 HE2 LYS 86 2HE LYS 86 4.173 -7.891 -18.592 738 HE3 LYS 86 1HE LYS 86 5.097 -7.386 -20.005 739 HZ1 LYS 86 3HZ LYS 86 2.714 -6.950 -20.232 740 HZ2 LYS 86 1HZ LYS 86 2.386 -8.610 -20.092 741 HZ3 LYS 86 2HZ LYS 86 3.272 -8.024 -21.418 742 H GLN 87 H GLN 87 5.344 -12.125 -15.541 743 HA GLN 87 HA GLN 87 4.760 -14.937 -16.084 744 HB2 GLN 87 2HB GLN 87 7.376 -13.568 -16.698 745 HB3 GLN 87 1HB GLN 87 7.271 -15.300 -16.421 746 HG2 GLN 87 2HG GLN 87 5.574 -15.371 -18.286 747 HG3 GLN 87 1HG GLN 87 6.025 -13.703 -18.640 748 HE21 GLN 87 1HE2 GLN 87 7.051 -17.017 -18.663 749 HE22 GLN 87 2HE2 GLN 87 8.461 -16.798 -19.642 750 H GLY 88 H GLY 88 6.872 -12.630 -14.418 751 HA2 GLY 88 2HA GLY 88 6.887 -12.438 -12.047 752 HA3 GLY 88 1HA GLY 88 6.393 -14.121 -11.942 753 H ASN 89 H ASN 89 9.087 -11.943 -12.375 754 HA ASN 89 HA ASN 89 10.938 -14.211 -12.121 755 HB2 ASN 89 2HB ASN 89 11.444 -12.692 -13.980 756 HB3 ASN 89 1HB ASN 89 11.491 -11.324 -12.870 757 HD21 ASN 89 1HD2 ASN 89 13.623 -10.834 -13.429 758 HD22 ASN 89 2HD2 ASN 89 14.950 -11.816 -12.902 759 H ALA 90 H ALA 90 11.956 -14.557 -10.255 760 HA ALA 90 HA ALA 90 11.052 -13.366 -7.903 761 HB1 ALA 90 1HB ALA 90 12.766 -14.657 -6.764 762 HB2 ALA 90 2HB ALA 90 13.593 -14.944 -8.296 763 HB3 ALA 90 3HB ALA 90 11.989 -15.626 -8.018 764 H GLU 91 H GLU 91 13.892 -12.646 -9.862 765 HA GLU 91 HA GLU 91 15.331 -11.164 -7.980 766 HB2 GLU 91 2HB GLU 91 15.259 -10.954 -10.989 767 HB3 GLU 91 1HB GLU 91 16.479 -10.229 -9.962 768 HG2 GLU 91 2HG GLU 91 15.923 -13.172 -10.203 769 HG3 GLU 91 1HG GLU 91 17.253 -12.310 -10.975 770 H GLN 92 H GLN 92 13.144 -10.017 -10.556 771 HA GLN 92 HA GLN 92 13.273 -7.317 -9.649 772 HB2 GLN 92 2HB GLN 92 11.405 -6.903 -11.232 773 HB3 GLN 92 1HB GLN 92 12.798 -7.678 -11.967 774 HG2 GLN 92 2HG GLN 92 11.690 -9.766 -12.082 775 HG3 GLN 92 1HG GLN 92 10.370 -9.193 -11.061 776 HE21 GLN 92 1HE2 GLN 92 11.849 -8.985 -14.219 777 HE22 GLN 92 2HE2 GLN 92 10.475 -8.302 -15.031 778 H PHE 93 H PHE 93 11.166 -10.031 -9.018 779 HA PHE 93 HA PHE 93 9.005 -8.609 -7.903 780 HB2 PHE 93 2HB PHE 93 8.925 -10.998 -8.610 781 HB3 PHE 93 1HB PHE 93 9.920 -11.410 -7.218 782 HD1 PHE 93 2HD PHE 93 6.675 -9.921 -8.188 783 HD2 PHE 93 1HD PHE 93 8.940 -11.829 -5.135 784 HE1 PHE 93 2HE PHE 93 4.644 -10.127 -6.819 785 HE2 PHE 93 1HE PHE 93 6.912 -12.041 -3.758 786 HZ PHE 93 HZ PHE 93 4.760 -11.188 -4.597 787 H ALA 94 H ALA 94 11.830 -10.153 -6.384 788 HA ALA 94 HA ALA 94 11.189 -9.455 -3.732 789 HB1 ALA 94 1HB ALA 94 13.515 -9.964 -3.218 790 HB2 ALA 94 2HB ALA 94 13.920 -9.918 -4.933 791 HB3 ALA 94 3HB ALA 94 12.844 -11.171 -4.314 792 H SER 95 H SER 95 12.953 -7.757 -6.264 793 HA SER 95 HA SER 95 13.868 -5.619 -4.656 794 HB2 SER 95 2HB SER 95 13.347 -5.726 -7.639 795 HB3 SER 95 1HB SER 95 14.334 -4.538 -6.799 796 HG SER 95 HG SER 95 14.832 -7.314 -7.113 797 H LEU 96 H LEU 96 11.013 -6.135 -6.673 798 HA LEU 96 HA LEU 96 9.929 -3.552 -6.517 799 HB2 LEU 96 2HB LEU 96 9.223 -5.265 -8.127 800 HB3 LEU 96 1HB LEU 96 8.536 -6.210 -6.824 801 HG LEU 96 HG LEU 96 6.852 -4.504 -6.415 802 HD11 LEU 96 1HD1 LEU 96 8.156 -2.533 -6.993 803 HD12 LEU 96 2HD1 LEU 96 6.643 -2.569 -7.900 804 HD13 LEU 96 3HD1 LEU 96 8.159 -3.010 -8.691 805 HD21 LEU 96 3HD2 LEU 96 5.592 -4.740 -8.483 806 HD22 LEU 96 1HD2 LEU 96 6.405 -6.251 -8.074 807 HD23 LEU 96 2HD2 LEU 96 7.060 -5.213 -9.343 808 H VAL 97 H VAL 97 9.295 -6.446 -4.552 809 HA VAL 97 HA VAL 97 7.405 -5.266 -2.836 810 HB VAL 97 HB VAL 97 9.295 -7.556 -2.256 811 HG11 VAL 97 1HG1 VAL 97 8.385 -6.625 -0.199 812 HG12 VAL 97 2HG1 VAL 97 7.668 -8.202 -0.532 813 HG13 VAL 97 3HG1 VAL 97 6.753 -6.732 -0.856 814 HG21 VAL 97 3HG2 VAL 97 7.379 -8.981 -2.844 815 HG22 VAL 97 1HG2 VAL 97 7.900 -7.980 -4.201 816 HG23 VAL 97 2HG2 VAL 97 6.459 -7.544 -3.285 817 H GLN 98 H GLN 98 10.918 -5.454 -2.694 818 HA GLN 98 HA GLN 98 11.258 -4.450 -0.089 819 HB2 GLN 98 2HB GLN 98 13.045 -5.577 -1.354 820 HB3 GLN 98 1HB GLN 98 13.110 -4.225 -2.476 821 HG2 GLN 98 2HG GLN 98 14.927 -4.058 -0.926 822 HG3 GLN 98 1HG GLN 98 13.782 -2.754 -0.618 823 HE21 GLN 98 1HE2 GLN 98 13.262 -6.073 0.361 824 HE22 GLN 98 2HE2 GLN 98 13.401 -5.793 2.059 825 H GLN 99 H GLN 99 11.147 -2.783 -3.239 826 HA GLN 99 HA GLN 99 11.645 -0.212 -2.086 827 HB2 GLN 99 2HB GLN 99 11.997 -0.977 -4.542 828 HB3 GLN 99 1HB GLN 99 10.292 -0.584 -4.738 829 HG2 GLN 99 2HG GLN 99 11.083 1.664 -3.562 830 HG3 GLN 99 1HG GLN 99 12.612 1.195 -4.302 831 HE21 GLN 99 1HE2 GLN 99 9.411 2.338 -4.819 832 HE22 GLN 99 2HE2 GLN 99 9.559 2.623 -6.521 833 H HIS 100 H HIS 100 8.756 -1.960 -3.124 834 HA HIS 100 HA HIS 100 6.863 0.072 -2.756 835 HB2 HIS 100 2HB HIS 100 6.480 -2.192 -3.818 836 HB3 HIS 100 1HB HIS 100 6.449 -2.883 -2.203 837 HD1 HIS 100 1HD HIS 100 3.966 -3.387 -3.695 838 HD2 HIS 100 2HD HIS 100 4.552 0.176 -1.644 839 HE1 HIS 100 1HE HIS 100 1.665 -2.449 -3.238 840 H LEU 101 H LEU 101 8.226 -2.304 -0.511 841 HA LEU 101 HA LEU 101 6.738 -1.712 1.771 842 HB2 LEU 101 2HB LEU 101 8.271 -3.630 1.554 843 HB3 LEU 101 1HB LEU 101 9.639 -2.537 1.576 844 HG LEU 101 HG LEU 101 9.018 -1.858 3.885 845 HD11 LEU 101 1HD1 LEU 101 7.016 -4.103 3.655 846 HD12 LEU 101 2HD1 LEU 101 6.638 -2.386 3.797 847 HD13 LEU 101 3HD1 LEU 101 7.423 -3.229 5.132 848 HD21 LEU 101 3HD2 LEU 101 9.466 -4.812 3.474 849 HD22 LEU 101 1HD2 LEU 101 9.785 -3.916 4.956 850 HD23 LEU 101 2HD2 LEU 101 10.714 -3.566 3.500 851 H GLN 102 H GLN 102 9.796 -0.304 0.629 852 HA GLN 102 HA GLN 102 10.235 1.456 2.729 853 HB2 GLN 102 2HB GLN 102 11.043 1.317 -0.152 854 HB3 GLN 102 1HB GLN 102 11.512 2.671 0.839 855 HG2 GLN 102 2HG GLN 102 12.090 -0.135 1.677 856 HG3 GLN 102 1HG GLN 102 13.155 0.741 0.582 857 HE21 GLN 102 1HE2 GLN 102 11.892 0.574 3.829 858 HE22 GLN 102 2HE2 GLN 102 13.063 1.626 4.545 859 H ASP 103 H ASP 103 8.500 1.892 -0.348 860 HA ASP 103 HA ASP 103 7.929 4.631 -0.003 861 HB2 ASP 103 2HB ASP 103 6.862 2.470 -1.752 862 HB3 ASP 103 1HB ASP 103 5.885 3.919 -1.569 863 H GLU 104 H GLU 104 6.108 1.724 0.918 864 HA GLU 104 HA GLU 104 3.838 3.140 1.858 865 HB2 GLU 104 2HB GLU 104 4.839 0.406 2.658 866 HB3 GLU 104 1HB GLU 104 3.250 1.056 3.033 867 HG2 GLU 104 2HG GLU 104 4.340 0.497 0.287 868 HG3 GLU 104 1HG GLU 104 3.156 -0.472 1.159 869 H GLN 105 H GLN 105 6.825 2.087 3.419 870 HA GLN 105 HA GLN 105 6.111 2.794 6.036 871 HB2 GLN 105 2HB GLN 105 8.774 2.581 4.641 872 HB3 GLN 105 1HB GLN 105 8.617 2.914 6.355 873 HG2 GLN 105 2HG GLN 105 7.516 0.809 6.722 874 HG3 GLN 105 1HG GLN 105 7.489 0.485 4.990 875 HE21 GLN 105 1HE2 GLN 105 8.659 -1.056 7.177 876 HE22 GLN 105 2HE2 GLN 105 10.332 -1.238 6.790 877 H ARG 106 H ARG 106 7.460 4.647 3.358 878 HA ARG 106 HA ARG 106 7.841 7.072 4.781 879 HB2 ARG 106 2HB ARG 106 7.616 6.315 1.903 880 HB3 ARG 106 1HB ARG 106 7.409 8.009 2.325 881 HG2 ARG 106 2HG ARG 106 9.601 8.264 2.407 882 HG3 ARG 106 1HG ARG 106 9.705 7.051 3.683 883 HD2 ARG 106 2HD ARG 106 11.133 6.526 1.748 884 HD3 ARG 106 1HD ARG 106 9.914 5.292 2.044 885 HE ARG 106 HE ARG 106 8.794 5.949 0.086 886 HH11 ARG 106 1HH1 ARG 106 11.606 7.956 0.659 887 HH12 ARG 106 2HH1 ARG 106 11.788 8.401 -1.015 888 HH21 ARG 106 1HH2 ARG 106 9.021 6.519 -2.120 889 HH22 ARG 106 2HH2 ARG 106 10.321 7.579 -2.592 890 H HIS 107 H HIS 107 5.040 5.632 3.198 891 HA HIS 107 HA HIS 107 3.336 7.881 3.383 892 HB2 HIS 107 2HB HIS 107 2.716 4.922 3.326 893 HB3 HIS 107 1HB HIS 107 1.475 6.169 3.327 894 HD2 HIS 107 2HD HIS 107 3.786 7.810 1.134 895 HE1 HIS 107 1HE HIS 107 1.897 4.991 -1.397 896 HE2 HIS 107 2HE HIS 107 3.236 7.147 -1.316 897 H VAL 108 H VAL 108 3.880 5.130 5.567 898 HA VAL 108 HA VAL 108 2.145 5.989 7.610 899 HB VAL 108 HB VAL 108 4.666 4.329 7.851 900 HG11 VAL 108 1HG1 VAL 108 2.368 4.650 9.788 901 HG12 VAL 108 2HG1 VAL 108 4.006 5.262 10.014 902 HG13 VAL 108 3HG1 VAL 108 3.717 3.525 9.960 903 HG21 VAL 108 3HG2 VAL 108 1.769 3.535 7.569 904 HG22 VAL 108 1HG2 VAL 108 3.116 2.426 7.839 905 HG23 VAL 108 2HG2 VAL 108 3.025 3.356 6.344 906 H GLU 109 H GLU 109 5.569 6.628 6.994 907 HA GLU 109 HA GLU 109 6.181 8.164 9.222 908 HB2 GLU 109 2HB GLU 109 7.158 8.150 6.383 909 HB3 GLU 109 1HB GLU 109 7.784 9.317 7.527 910 HG2 GLU 109 2HG GLU 109 7.831 6.354 7.978 911 HG3 GLU 109 1HG GLU 109 9.157 7.257 7.254 912 H GLU 110 H GLU 110 4.570 9.062 6.222 913 HA GLU 110 HA GLU 110 4.380 11.838 6.716 914 HB2 GLU 110 2HB GLU 110 3.989 10.674 4.515 915 HB3 GLU 110 1HB GLU 110 2.455 10.108 5.154 916 HG2 GLU 110 2HG GLU 110 1.949 11.974 3.832 917 HG3 GLU 110 1HG GLU 110 1.851 12.533 5.502 918 H ILE 111 H ILE 111 2.214 9.114 7.362 919 HA ILE 111 HA ILE 111 0.078 10.637 8.414 920 HB ILE 111 HB ILE 111 0.722 7.718 8.864 921 HG12 ILE 111 2HG1 ILE 111 -1.118 9.033 6.850 922 HG13 ILE 111 1HG1 ILE 111 0.472 8.370 6.484 923 HG21 ILE 111 1HG2 ILE 111 -1.882 9.201 9.226 924 HG22 ILE 111 2HG2 ILE 111 -0.850 8.602 10.525 925 HG23 ILE 111 3HG2 ILE 111 -1.635 7.465 9.429 926 HD11 ILE 111 3HD1 ILE 111 -1.912 6.819 7.473 927 HD12 ILE 111 1HD1 ILE 111 -0.318 6.148 7.130 928 HD13 ILE 111 2HD1 ILE 111 -1.282 6.840 5.827 929 H GLU 112 H GLU 112 2.747 8.879 10.010 930 HA GLU 112 HA GLU 112 1.952 9.241 12.649 931 HB2 GLU 112 2HB GLU 112 4.730 9.120 11.465 932 HB3 GLU 112 1HB GLU 112 4.359 8.966 13.166 933 HG2 GLU 112 2HG GLU 112 3.455 7.097 10.999 934 HG3 GLU 112 1HG GLU 112 4.765 6.805 12.141 935 H LYS 113 H LYS 113 3.731 11.349 10.472 936 HA LYS 113 HA LYS 113 4.344 13.318 12.441 937 HB2 LYS 113 2HB LYS 113 5.735 12.886 10.446 938 HB3 LYS 113 1HB LYS 113 4.426 13.446 9.423 939 HG2 LYS 113 2HG LYS 113 5.565 15.249 11.509 940 HG3 LYS 113 1HG LYS 113 6.416 14.995 9.991 941 HD2 LYS 113 2HD LYS 113 3.552 15.924 10.188 942 HD3 LYS 113 1HD LYS 113 4.934 17.007 10.031 943 HE2 LYS 113 2HE LYS 113 4.139 16.779 7.847 944 HE3 LYS 113 1HE LYS 113 5.511 15.680 7.926 945 HZ1 LYS 113 3HZ LYS 113 2.634 14.951 8.068 946 HZ2 LYS 113 1HZ LYS 113 3.905 13.859 8.317 947 HZ3 LYS 113 2HZ LYS 113 3.715 14.604 6.809 948 H LYS 114 H LYS 114 1.669 12.582 10.552 949 HA LYS 114 HA LYS 114 -0.276 13.589 9.972 950 HB2 LYS 114 2HB LYS 114 0.375 15.384 12.322 951 HB3 LYS 114 1HB LYS 114 -1.171 15.353 11.485 952 HG2 LYS 114 2HG LYS 114 -1.397 12.959 12.115 953 HG3 LYS 114 1HG LYS 114 0.076 13.121 13.073 954 HD2 LYS 114 2HD LYS 114 -2.206 15.007 13.508 955 HD3 LYS 114 1HD LYS 114 -2.260 13.392 14.207 956 HE2 LYS 114 2HE LYS 114 -1.396 14.995 15.815 957 HE3 LYS 114 1HE LYS 114 -0.156 13.825 15.378 958 HZ1 LYS 114 3HZ LYS 114 1.017 15.393 14.180 959 HZ2 LYS 114 1HZ LYS 114 0.472 16.285 15.513 960 HZ3 LYS 114 2HZ LYS 114 -0.305 16.441 14.014 961 H ASN 115 H ASN 115 0.462 16.758 11.034 962 HA ASN 115 HA ASN 115 1.847 17.584 8.679 963 HB2 ASN 115 2HB ASN 115 0.069 19.237 8.016 964 HB3 ASN 115 1HB ASN 115 -0.296 17.564 7.644 965 HD21 ASN 115 1HD2 ASN 115 -0.611 19.107 10.815 966 HD22 ASN 115 2HD2 ASN 115 -2.337 18.978 10.889 Start of MODEL 15 1 H1 MET 1 H1 MET 1 -16.076 4.791 6.898 2 H2 MET 1 H2 MET 1 -16.220 6.383 6.350 3 H3 MET 1 H3 MET 1 -17.584 5.568 6.953 4 HA MET 1 HA MET 1 -16.731 7.148 8.567 5 HB2 MET 1 2HB MET 1 -17.786 5.010 9.317 6 HB3 MET 1 1HB MET 1 -16.187 4.280 9.377 7 HG2 MET 1 2HG MET 1 -16.898 4.927 11.585 8 HG3 MET 1 1HG MET 1 -15.515 5.897 11.083 9 HE1 MET 1 2HE MET 1 -16.007 7.660 13.033 10 HE2 MET 1 3HE MET 1 -17.363 6.653 13.551 11 HE3 MET 1 1HE MET 1 -17.593 8.384 13.301 12 H ASP 2 H ASP 2 -14.897 8.348 8.215 13 HA ASP 2 HA ASP 2 -12.348 6.895 8.297 14 HB2 ASP 2 2HB ASP 2 -13.088 8.958 6.212 15 HB3 ASP 2 1HB ASP 2 -11.593 8.027 6.288 16 H GLU 3 H GLU 3 -11.450 7.696 10.062 17 HA GLU 3 HA GLU 3 -11.189 10.620 10.290 18 HB2 GLU 3 2HB GLU 3 -10.541 8.562 12.406 19 HB3 GLU 3 1HB GLU 3 -10.701 10.300 12.616 20 HG2 GLU 3 2HG GLU 3 -13.038 10.219 12.393 21 HG3 GLU 3 1HG GLU 3 -12.997 8.579 11.744 22 H LEU 4 H LEU 4 -9.396 7.641 10.958 23 HA LEU 4 HA LEU 4 -7.218 8.219 9.276 24 HB2 LEU 4 2HB LEU 4 -5.468 8.794 10.786 25 HB3 LEU 4 1HB LEU 4 -6.771 9.929 11.067 26 HG LEU 4 HG LEU 4 -6.342 7.512 12.823 27 HD11 LEU 4 1HD1 LEU 4 -4.303 8.854 12.834 28 HD12 LEU 4 2HD1 LEU 4 -5.161 8.984 14.367 29 HD13 LEU 4 3HD1 LEU 4 -5.247 10.299 13.194 30 HD21 LEU 4 3HD2 LEU 4 -7.585 8.883 14.453 31 HD22 LEU 4 1HD2 LEU 4 -8.533 8.537 13.005 32 HD23 LEU 4 2HD2 LEU 4 -7.799 10.125 13.220 33 H ARG 5 H ARG 5 -8.574 6.484 11.992 34 HA ARG 5 HA ARG 5 -6.644 4.500 12.307 35 HB2 ARG 5 2HB ARG 5 -9.632 4.356 12.716 36 HB3 ARG 5 1HB ARG 5 -8.464 3.222 13.353 37 HG2 ARG 5 2HG ARG 5 -8.574 6.140 14.042 38 HG3 ARG 5 1HG ARG 5 -9.239 4.836 15.025 39 HD2 ARG 5 2HD ARG 5 -6.972 3.858 15.186 40 HD3 ARG 5 1HD ARG 5 -6.342 5.246 14.296 41 HE ARG 5 HE ARG 5 -7.849 5.905 16.672 42 HH11 ARG 5 1HH1 ARG 5 -4.675 5.144 15.385 43 HH12 ARG 5 2HH1 ARG 5 -3.826 5.969 16.659 44 HH21 ARG 5 1HH2 ARG 5 -6.736 6.961 18.359 45 HH22 ARG 5 2HH2 ARG 5 -4.996 6.986 18.352 46 H GLU 6 H GLU 6 -9.553 4.575 10.267 47 HA GLU 6 HA GLU 6 -9.269 1.953 9.268 48 HB2 GLU 6 2HB GLU 6 -10.689 4.343 8.082 49 HB3 GLU 6 1HB GLU 6 -10.866 2.687 7.521 50 HG2 GLU 6 2HG GLU 6 -11.596 3.699 10.259 51 HG3 GLU 6 1HG GLU 6 -12.722 3.349 8.947 52 H LEU 7 H LEU 7 -8.074 5.063 8.213 53 HA LEU 7 HA LEU 7 -7.067 4.236 5.704 54 HB2 LEU 7 2HB LEU 7 -6.649 6.590 7.505 55 HB3 LEU 7 1HB LEU 7 -5.632 6.375 6.108 56 HG LEU 7 HG LEU 7 -7.709 6.371 4.686 57 HD11 LEU 7 1HD1 LEU 7 -9.751 7.291 5.651 58 HD12 LEU 7 2HD1 LEU 7 -9.007 7.274 7.250 59 HD13 LEU 7 3HD1 LEU 7 -9.319 5.758 6.407 60 HD21 LEU 7 3HD2 LEU 7 -8.011 8.794 4.789 61 HD22 LEU 7 1HD2 LEU 7 -6.306 8.354 4.905 62 HD23 LEU 7 2HD2 LEU 7 -7.194 8.832 6.352 63 H LEU 8 H LEU 8 -5.575 4.747 8.879 64 HA LEU 8 HA LEU 8 -2.938 4.138 8.050 65 HB2 LEU 8 2HB LEU 8 -3.659 5.459 10.085 66 HB3 LEU 8 1HB LEU 8 -4.041 3.928 10.844 67 HG LEU 8 HG LEU 8 -1.703 3.234 10.690 68 HD11 LEU 8 1HD1 LEU 8 -1.110 4.431 8.642 69 HD12 LEU 8 2HD1 LEU 8 0.013 4.799 9.952 70 HD13 LEU 8 3HD1 LEU 8 -1.230 5.966 9.505 71 HD21 LEU 8 3HD2 LEU 8 -2.069 5.964 11.914 72 HD22 LEU 8 1HD2 LEU 8 -0.760 4.841 12.281 73 HD23 LEU 8 2HD2 LEU 8 -2.423 4.418 12.682 74 H LYS 9 H LYS 9 -5.435 2.241 9.709 75 HA LYS 9 HA LYS 9 -3.926 -0.071 10.154 76 HB2 LYS 9 2HB LYS 9 -6.811 0.579 10.065 77 HB3 LYS 9 1HB LYS 9 -6.398 -1.117 9.851 78 HG2 LYS 9 2HG LYS 9 -6.892 -0.467 12.199 79 HG3 LYS 9 1HG LYS 9 -5.302 -1.196 11.975 80 HD2 LYS 9 2HD LYS 9 -4.259 0.991 12.035 81 HD3 LYS 9 1HD LYS 9 -5.840 1.768 12.137 82 HE2 LYS 9 2HE LYS 9 -4.705 1.634 14.321 83 HE3 LYS 9 1HE LYS 9 -6.242 0.771 14.295 84 HZ1 LYS 9 3HZ LYS 9 -3.599 -0.536 13.940 85 HZ2 LYS 9 1HZ LYS 9 -5.102 -1.299 14.128 86 HZ3 LYS 9 2HZ LYS 9 -4.421 -0.438 15.420 87 H ALA 10 H ALA 10 -5.707 0.968 7.297 88 HA ALA 10 HA ALA 10 -5.476 -1.441 5.839 89 HB1 ALA 10 1HB ALA 10 -5.671 1.393 4.824 90 HB2 ALA 10 2HB ALA 10 -7.027 0.329 5.202 91 HB3 ALA 10 3HB ALA 10 -5.943 -0.064 3.868 92 H GLU 11 H GLU 11 -3.456 1.472 5.948 93 HA GLU 11 HA GLU 11 -1.482 0.609 4.140 94 HB2 GLU 11 2HB GLU 11 -1.360 2.542 6.457 95 HB3 GLU 11 1HB GLU 11 -0.046 2.315 5.312 96 HG2 GLU 11 2HG GLU 11 -2.816 3.105 4.463 97 HG3 GLU 11 1HG GLU 11 -1.576 4.279 4.904 98 H GLN 12 H GLN 12 -1.723 0.342 7.667 99 HA GLN 12 HA GLN 12 0.742 -0.947 8.098 100 HB2 GLN 12 2HB GLN 12 -1.828 -1.114 9.677 101 HB3 GLN 12 1HB GLN 12 -0.272 -1.710 10.237 102 HG2 GLN 12 2HG GLN 12 0.632 0.516 10.260 103 HG3 GLN 12 1HG GLN 12 -0.837 1.159 9.523 104 HE21 GLN 12 1HE2 GLN 12 0.432 1.844 12.070 105 HE22 GLN 12 2HE2 GLN 12 -0.765 1.568 13.287 106 H GLN 13 H GLN 13 -2.455 -2.163 7.264 107 HA GLN 13 HA GLN 13 -1.927 -4.910 7.594 108 HB2 GLN 13 2HB GLN 13 -4.205 -3.928 7.283 109 HB3 GLN 13 1HB GLN 13 -3.808 -3.624 5.599 110 HG2 GLN 13 2HG GLN 13 -3.497 -6.045 5.266 111 HG3 GLN 13 1HG GLN 13 -3.992 -6.311 6.938 112 HE21 GLN 13 1HE2 GLN 13 -5.195 -7.249 4.464 113 HE22 GLN 13 2HE2 GLN 13 -6.827 -6.681 4.474 114 H GLY 14 H GLY 14 -1.635 -2.754 4.821 115 HA2 GLY 14 2HA GLY 14 -0.693 -4.655 2.973 116 HA3 GLY 14 1HA GLY 14 -0.399 -2.927 2.891 117 H ILE 15 H ILE 15 1.064 -2.512 5.191 118 HA ILE 15 HA ILE 15 3.668 -3.251 4.484 119 HB ILE 15 HB ILE 15 2.582 -2.402 7.178 120 HG12 ILE 15 2HG1 ILE 15 4.041 -0.833 5.040 121 HG13 ILE 15 1HG1 ILE 15 2.308 -0.765 5.346 122 HG21 ILE 15 1HG2 ILE 15 5.444 -2.573 6.249 123 HG22 ILE 15 2HG2 ILE 15 4.684 -3.571 7.489 124 HG23 ILE 15 3HG2 ILE 15 4.902 -1.840 7.759 125 HD11 ILE 15 3HD1 ILE 15 4.467 0.048 7.276 126 HD12 ILE 15 1HD1 ILE 15 2.730 0.141 7.567 127 HD13 ILE 15 2HD1 ILE 15 3.469 1.140 6.314 128 H LYS 16 H LYS 16 1.478 -4.623 6.906 129 HA LYS 16 HA LYS 16 3.164 -6.614 7.918 130 HB2 LYS 16 2HB LYS 16 0.871 -5.811 8.755 131 HB3 LYS 16 1HB LYS 16 0.186 -6.912 7.577 132 HG2 LYS 16 2HG LYS 16 2.164 -7.908 9.578 133 HG3 LYS 16 1HG LYS 16 0.478 -7.675 10.028 134 HD2 LYS 16 2HD LYS 16 -0.197 -9.164 8.188 135 HD3 LYS 16 1HD LYS 16 1.503 -9.416 7.790 136 HE2 LYS 16 2HE LYS 16 0.556 -11.244 9.150 137 HE3 LYS 16 1HE LYS 16 1.904 -10.427 9.942 138 HZ1 LYS 16 3HZ LYS 16 0.054 -10.851 11.460 139 HZ2 LYS 16 1HZ LYS 16 -0.972 -9.909 10.494 140 HZ3 LYS 16 2HZ LYS 16 0.344 -9.192 11.285 141 H ILE 17 H ILE 17 0.806 -6.701 5.282 142 HA ILE 17 HA ILE 17 1.218 -9.338 4.445 143 HB ILE 17 HB ILE 17 0.387 -6.896 2.864 144 HG12 ILE 17 2HG1 ILE 17 -1.203 -9.227 3.966 145 HG13 ILE 17 1HG1 ILE 17 -1.134 -7.618 4.678 146 HG21 ILE 17 1HG2 ILE 17 -0.412 -8.452 1.139 147 HG22 ILE 17 2HG2 ILE 17 0.313 -9.794 2.022 148 HG23 ILE 17 3HG2 ILE 17 1.338 -8.536 1.336 149 HD11 ILE 17 3HD1 ILE 17 -3.179 -7.942 3.411 150 HD12 ILE 17 1HD1 ILE 17 -2.238 -8.305 1.964 151 HD13 ILE 17 2HD1 ILE 17 -2.176 -6.693 2.675 152 H LEU 18 H LEU 18 2.809 -6.334 3.398 153 HA LEU 18 HA LEU 18 4.464 -7.445 1.441 154 HB2 LEU 18 2HB LEU 18 4.916 -5.045 3.213 155 HB3 LEU 18 1HB LEU 18 5.893 -5.435 1.811 156 HG LEU 18 HG LEU 18 2.932 -4.843 1.723 157 HD11 LEU 18 1HD1 LEU 18 4.201 -2.875 2.369 158 HD12 LEU 18 2HD1 LEU 18 3.577 -2.716 0.726 159 HD13 LEU 18 3HD1 LEU 18 5.277 -3.103 0.991 160 HD21 LEU 18 3HD2 LEU 18 3.291 -4.696 -0.697 161 HD22 LEU 18 1HD2 LEU 18 3.663 -6.304 -0.079 162 HD23 LEU 18 2HD2 LEU 18 4.969 -5.188 -0.473 163 H LYS 19 H LYS 19 4.985 -7.093 4.931 164 HA LYS 19 HA LYS 19 7.642 -7.993 4.972 165 HB2 LYS 19 2HB LYS 19 5.455 -8.051 7.052 166 HB3 LYS 19 1HB LYS 19 7.122 -8.467 7.374 167 HG2 LYS 19 2HG LYS 19 7.832 -6.222 6.758 168 HG3 LYS 19 1HG LYS 19 6.162 -5.797 6.383 169 HD2 LYS 19 2HD LYS 19 6.738 -4.950 8.573 170 HD3 LYS 19 1HD LYS 19 5.554 -6.249 8.737 171 HE2 LYS 19 2HE LYS 19 7.328 -7.814 9.305 172 HE3 LYS 19 1HE LYS 19 8.533 -6.543 9.099 173 HZ1 LYS 19 3HZ LYS 19 7.970 -6.904 11.428 174 HZ2 LYS 19 1HZ LYS 19 6.349 -6.525 11.113 175 HZ3 LYS 19 2HZ LYS 19 7.550 -5.337 10.935 176 H GLU 20 H GLU 20 4.542 -9.703 5.222 177 HA GLU 20 HA GLU 20 5.585 -12.276 5.653 178 HB2 GLU 20 2HB GLU 20 3.116 -11.156 5.578 179 HB3 GLU 20 1HB GLU 20 3.122 -12.009 4.043 180 HG2 GLU 20 2HG GLU 20 3.902 -13.397 6.565 181 HG3 GLU 20 1HG GLU 20 2.212 -13.157 6.143 182 H VAL 21 H VAL 21 4.634 -10.561 2.698 183 HA VAL 21 HA VAL 21 5.242 -12.596 0.867 184 HB VAL 21 HB VAL 21 5.333 -9.606 0.411 185 HG11 VAL 21 1HG1 VAL 21 6.468 -10.835 -1.361 186 HG12 VAL 21 2HG1 VAL 21 4.944 -10.164 -1.944 187 HG13 VAL 21 3HG1 VAL 21 5.059 -11.880 -1.553 188 HG21 VAL 21 3HG2 VAL 21 3.174 -10.361 1.282 189 HG22 VAL 21 1HG2 VAL 21 3.078 -11.571 0.002 190 HG23 VAL 21 2HG2 VAL 21 3.045 -9.854 -0.404 191 H LEU 22 H LEU 22 7.246 -10.009 2.211 192 HA LEU 22 HA LEU 22 9.515 -10.359 0.611 193 HB2 LEU 22 2HB LEU 22 9.138 -8.465 2.159 194 HB3 LEU 22 1HB LEU 22 9.405 -9.541 3.516 195 HG LEU 22 HG LEU 22 11.725 -9.924 2.719 196 HD11 LEU 22 1HD1 LEU 22 12.664 -8.490 1.008 197 HD12 LEU 22 2HD1 LEU 22 11.092 -7.736 0.745 198 HD13 LEU 22 3HD1 LEU 22 11.330 -9.437 0.345 199 HD21 LEU 22 3HD2 LEU 22 12.577 -7.713 3.361 200 HD22 LEU 22 1HD2 LEU 22 11.286 -8.261 4.430 201 HD23 LEU 22 2HD2 LEU 22 10.952 -7.049 3.193 202 H LYS 23 H LYS 23 8.664 -11.868 3.710 203 HA LYS 23 HA LYS 23 11.002 -13.456 3.935 204 HB2 LYS 23 2HB LYS 23 9.074 -12.865 5.650 205 HB3 LYS 23 1HB LYS 23 8.386 -14.364 5.065 206 HG2 LYS 23 2HG LYS 23 11.180 -14.172 6.163 207 HG3 LYS 23 1HG LYS 23 9.770 -14.536 7.157 208 HD2 LYS 23 2HD LYS 23 9.317 -16.517 5.826 209 HD3 LYS 23 1HD LYS 23 10.673 -16.135 4.762 210 HE2 LYS 23 2HE LYS 23 11.298 -17.863 6.360 211 HE3 LYS 23 1HE LYS 23 12.220 -16.390 6.645 212 HZ1 LYS 23 3HZ LYS 23 9.752 -16.984 8.163 213 HZ2 LYS 23 1HZ LYS 23 11.000 -15.911 8.562 214 HZ3 LYS 23 2HZ LYS 23 11.256 -17.585 8.658 215 H LYS 24 H LYS 24 7.797 -14.018 2.631 216 HA LYS 24 HA LYS 24 8.223 -16.753 1.989 217 HB2 LYS 24 2HB LYS 24 6.007 -15.682 2.364 218 HB3 LYS 24 1HB LYS 24 6.183 -14.863 0.819 219 HG2 LYS 24 2HG LYS 24 5.973 -16.837 -0.391 220 HG3 LYS 24 1HG LYS 24 6.349 -17.845 1.008 221 HD2 LYS 24 2HD LYS 24 3.953 -16.098 1.149 222 HD3 LYS 24 1HD LYS 24 3.869 -17.528 0.123 223 HE2 LYS 24 2HE LYS 24 3.023 -17.970 2.378 224 HE3 LYS 24 1HE LYS 24 4.443 -18.944 2.010 225 HZ1 LYS 24 3HZ LYS 24 5.790 -17.547 3.354 226 HZ2 LYS 24 1HZ LYS 24 4.418 -17.952 4.265 227 HZ3 LYS 24 2HZ LYS 24 4.541 -16.411 3.562 228 H ALA 25 H ALA 25 8.935 -13.777 0.318 229 HA ALA 25 HA ALA 25 9.452 -14.944 -2.227 230 HB1 ALA 25 1HB ALA 25 10.619 -12.447 -0.998 231 HB2 ALA 25 2HB ALA 25 9.132 -12.536 -1.943 232 HB3 ALA 25 3HB ALA 25 10.685 -12.890 -2.704 233 H LYS 26 H LYS 26 11.295 -14.488 0.710 234 HA LYS 26 HA LYS 26 13.775 -15.435 -0.288 235 HB2 LYS 26 2HB LYS 26 13.619 -14.149 1.795 236 HB3 LYS 26 1HB LYS 26 12.664 -15.425 2.529 237 HG2 LYS 26 2HG LYS 26 15.357 -16.130 1.505 238 HG3 LYS 26 1HG LYS 26 15.253 -15.166 2.979 239 HD2 LYS 26 2HD LYS 26 13.848 -16.866 4.012 240 HD3 LYS 26 1HD LYS 26 13.879 -17.814 2.524 241 HE2 LYS 26 2HE LYS 26 15.458 -18.618 4.274 242 HE3 LYS 26 1HE LYS 26 16.227 -18.206 2.742 243 HZ1 LYS 26 3HZ LYS 26 17.069 -16.224 3.632 244 HZ2 LYS 26 1HZ LYS 26 17.367 -17.402 4.811 245 HZ3 LYS 26 2HZ LYS 26 16.087 -16.304 5.009 246 H GLU 27 H GLU 27 10.960 -16.979 1.196 247 HA GLU 27 HA GLU 27 11.829 -19.631 1.192 248 HB2 GLU 27 2HB GLU 27 9.074 -18.536 0.566 249 HB3 GLU 27 1HB GLU 27 9.422 -20.220 0.925 250 HG2 GLU 27 2HG GLU 27 10.204 -19.557 3.163 251 HG3 GLU 27 1HG GLU 27 9.803 -17.884 2.792 252 H GLY 28 H GLY 28 10.030 -17.896 -1.356 253 HA2 GLY 28 2HA GLY 28 10.724 -17.694 -3.576 254 HA3 GLY 28 1HA GLY 28 11.889 -18.979 -3.307 255 H ASP 29 H ASP 29 8.314 -18.760 -3.097 256 HA ASP 29 HA ASP 29 8.251 -20.972 -5.046 257 HB2 ASP 29 2HB ASP 29 7.205 -21.574 -2.913 258 HB3 ASP 29 1HB ASP 29 6.125 -20.189 -3.040 259 H GLU 30 H GLU 30 7.607 -20.454 -7.010 260 HA GLU 30 HA GLU 30 7.003 -17.866 -7.828 261 HB2 GLU 30 2HB GLU 30 6.260 -20.426 -9.253 262 HB3 GLU 30 1HB GLU 30 6.399 -18.836 -9.988 263 HG2 GLU 30 2HG GLU 30 8.791 -18.816 -9.509 264 HG3 GLU 30 1HG GLU 30 8.656 -20.402 -8.749 265 H GLN 31 H GLN 31 4.812 -20.576 -7.191 266 HA GLN 31 HA GLN 31 2.513 -19.324 -8.291 267 HB2 GLN 31 2HB GLN 31 2.606 -21.550 -6.258 268 HB3 GLN 31 1HB GLN 31 1.271 -21.153 -7.327 269 HG2 GLN 31 2HG GLN 31 2.669 -21.756 -9.257 270 HG3 GLN 31 1HG GLN 31 3.965 -22.209 -8.151 271 HE21 GLN 31 1HE2 GLN 31 3.706 -24.033 -6.840 272 HE22 GLN 31 2HE2 GLN 31 2.535 -25.252 -7.199 273 H GLU 32 H GLU 32 3.682 -19.783 -4.990 274 HA GLU 32 HA GLU 32 1.455 -18.558 -3.746 275 HB2 GLU 32 2HB GLU 32 3.185 -20.121 -2.705 276 HB3 GLU 32 1HB GLU 32 4.232 -18.715 -2.583 277 HG2 GLU 32 2HG GLU 32 3.117 -19.096 -0.488 278 HG3 GLU 32 1HG GLU 32 2.541 -17.594 -1.205 279 H LEU 33 H LEU 33 4.585 -17.330 -4.859 280 HA LEU 33 HA LEU 33 4.300 -14.728 -3.788 281 HB2 LEU 33 2HB LEU 33 5.885 -15.750 -6.135 282 HB3 LEU 33 1HB LEU 33 5.969 -14.093 -5.570 283 HG LEU 33 HG LEU 33 6.749 -16.547 -3.989 284 HD11 LEU 33 1HD1 LEU 33 9.008 -15.655 -4.158 285 HD12 LEU 33 2HD1 LEU 33 8.418 -14.319 -5.147 286 HD13 LEU 33 3HD1 LEU 33 8.333 -15.973 -5.756 287 HD21 LEU 33 3HD2 LEU 33 5.791 -14.841 -2.543 288 HD22 LEU 33 1HD2 LEU 33 6.862 -13.626 -3.246 289 HD23 LEU 33 2HD2 LEU 33 7.537 -14.956 -2.300 290 H ALA 34 H ALA 34 3.333 -16.153 -6.876 291 HA ALA 34 HA ALA 34 2.338 -13.756 -8.020 292 HB1 ALA 34 1HB ALA 34 1.177 -15.195 -9.597 293 HB2 ALA 34 2HB ALA 34 1.467 -16.596 -8.565 294 HB3 ALA 34 3HB ALA 34 2.823 -15.775 -9.341 295 H ARG 35 H ARG 35 0.965 -16.220 -5.955 296 HA ARG 35 HA ARG 35 -1.708 -15.295 -5.964 297 HB2 ARG 35 2HB ARG 35 -0.877 -17.558 -5.223 298 HB3 ARG 35 1HB ARG 35 -0.266 -16.788 -3.769 299 HG2 ARG 35 2HG ARG 35 -2.456 -16.247 -3.033 300 HG3 ARG 35 1HG ARG 35 -3.157 -16.722 -4.586 301 HD2 ARG 35 2HD ARG 35 -1.761 -18.540 -2.626 302 HD3 ARG 35 1HD ARG 35 -3.500 -18.462 -2.910 303 HE ARG 35 HE ARG 35 -2.883 -19.122 -5.291 304 HH11 ARG 35 1HH1 ARG 35 -0.977 -20.060 -2.513 305 HH12 ARG 35 2HH1 ARG 35 -0.420 -21.539 -3.231 306 HH21 ARG 35 1HH2 ARG 35 -2.114 -21.063 -6.258 307 HH22 ARG 35 2HH2 ARG 35 -1.052 -22.106 -5.355 308 H LEU 36 H LEU 36 1.067 -14.690 -3.854 309 HA LEU 36 HA LEU 36 -0.204 -12.906 -2.086 310 HB2 LEU 36 2HB LEU 36 2.685 -13.076 -2.943 311 HB3 LEU 36 1HB LEU 36 2.105 -12.072 -1.629 312 HG LEU 36 HG LEU 36 1.921 -15.081 -1.730 313 HD11 LEU 36 1HD1 LEU 36 3.620 -15.002 0.038 314 HD12 LEU 36 2HD1 LEU 36 3.736 -13.253 -0.165 315 HD13 LEU 36 3HD1 LEU 36 4.211 -14.325 -1.481 316 HD21 LEU 36 3HD2 LEU 36 0.096 -14.088 -0.464 317 HD22 LEU 36 1HD2 LEU 36 1.245 -13.126 0.466 318 HD23 LEU 36 2HD2 LEU 36 1.242 -14.883 0.616 319 H ASN 37 H ASN 37 1.464 -12.407 -5.159 320 HA ASN 37 HA ASN 37 1.428 -9.624 -5.293 321 HB2 ASN 37 2HB ASN 37 2.530 -11.198 -6.919 322 HB3 ASN 37 1HB ASN 37 0.944 -11.537 -7.594 323 HD21 ASN 37 1HD2 ASN 37 3.302 -10.425 -8.858 324 HD22 ASN 37 2HD2 ASN 37 2.831 -8.890 -9.500 325 H GLN 38 H GLN 38 -1.068 -11.961 -6.277 326 HA GLN 38 HA GLN 38 -3.010 -10.217 -7.141 327 HB2 GLN 38 2HB GLN 38 -2.978 -12.640 -7.495 328 HB3 GLN 38 1HB GLN 38 -3.209 -12.903 -5.769 329 HG2 GLN 38 2HG GLN 38 -5.330 -11.757 -5.900 330 HG3 GLN 38 1HG GLN 38 -5.101 -11.559 -7.630 331 HE21 GLN 38 1HE2 GLN 38 -5.814 -13.781 -5.072 332 HE22 GLN 38 2HE2 GLN 38 -6.343 -15.089 -6.070 333 H GLU 39 H GLU 39 -2.397 -11.587 -3.920 334 HA GLU 39 HA GLU 39 -4.614 -10.415 -2.627 335 HB2 GLU 39 2HB GLU 39 -3.173 -12.351 -1.819 336 HB3 GLU 39 1HB GLU 39 -1.994 -11.147 -1.319 337 HG2 GLU 39 2HG GLU 39 -3.287 -11.766 0.580 338 HG3 GLU 39 1HG GLU 39 -3.728 -10.122 0.124 339 H ILE 40 H ILE 40 -1.303 -9.311 -3.158 340 HA ILE 40 HA ILE 40 -1.389 -7.032 -1.503 341 HB ILE 40 HB ILE 40 0.229 -7.540 -4.005 342 HG12 ILE 40 2HG1 ILE 40 0.986 -7.670 -1.078 343 HG13 ILE 40 1HG1 ILE 40 0.659 -9.066 -2.098 344 HG21 ILE 40 1HG2 ILE 40 0.562 -5.358 -1.947 345 HG22 ILE 40 2HG2 ILE 40 0.012 -5.138 -3.608 346 HG23 ILE 40 3HG2 ILE 40 1.656 -5.688 -3.291 347 HD11 ILE 40 3HD1 ILE 40 3.045 -8.702 -1.809 348 HD12 ILE 40 1HD1 ILE 40 2.889 -7.082 -2.485 349 HD13 ILE 40 2HD1 ILE 40 2.573 -8.492 -3.495 350 H VAL 41 H VAL 41 -1.982 -7.367 -5.010 351 HA VAL 41 HA VAL 41 -2.753 -4.701 -5.464 352 HB VAL 41 HB VAL 41 -3.685 -7.184 -6.928 353 HG11 VAL 41 1HG1 VAL 41 -3.711 -4.294 -7.793 354 HG12 VAL 41 2HG1 VAL 41 -5.123 -5.259 -7.364 355 HG13 VAL 41 3HG1 VAL 41 -4.170 -5.676 -8.788 356 HG21 VAL 41 3HG2 VAL 41 -1.907 -6.650 -8.530 357 HG22 VAL 41 1HG2 VAL 41 -1.256 -6.973 -6.925 358 HG23 VAL 41 2HG2 VAL 41 -1.389 -5.313 -7.504 359 H LYS 42 H LYS 42 -4.573 -7.543 -4.515 360 HA LYS 42 HA LYS 42 -7.162 -6.507 -4.546 361 HB2 LYS 42 2HB LYS 42 -6.800 -8.851 -4.322 362 HB3 LYS 42 1HB LYS 42 -5.805 -8.632 -2.895 363 HG2 LYS 42 2HG LYS 42 -7.848 -7.840 -1.697 364 HG3 LYS 42 1HG LYS 42 -8.783 -8.323 -3.118 365 HD2 LYS 42 2HD LYS 42 -8.050 -10.597 -2.900 366 HD3 LYS 42 1HD LYS 42 -6.931 -10.160 -1.610 367 HE2 LYS 42 2HE LYS 42 -8.978 -9.398 -0.308 368 HE3 LYS 42 1HE LYS 42 -9.933 -10.227 -1.535 369 HZ1 LYS 42 3HZ LYS 42 -9.489 -11.617 0.414 370 HZ2 LYS 42 1HZ LYS 42 -7.821 -11.502 0.115 371 HZ3 LYS 42 2HZ LYS 42 -8.830 -12.283 -1.002 372 H ALA 43 H ALA 43 -4.761 -6.569 -1.913 373 HA ALA 43 HA ALA 43 -6.400 -5.223 -0.024 374 HB1 ALA 43 1HB ALA 43 -4.543 -6.619 0.681 375 HB2 ALA 43 2HB ALA 43 -4.333 -4.974 1.279 376 HB3 ALA 43 3HB ALA 43 -3.401 -5.534 -0.110 377 H GLU 44 H GLU 44 -3.755 -4.130 -2.129 378 HA GLU 44 HA GLU 44 -3.690 -1.457 -1.301 379 HB2 GLU 44 2HB GLU 44 -2.946 -2.785 -3.899 380 HB3 GLU 44 1HB GLU 44 -2.724 -1.062 -3.636 381 HG2 GLU 44 2HG GLU 44 -1.589 -2.978 -1.665 382 HG3 GLU 44 1HG GLU 44 -0.776 -2.750 -3.214 383 H LYS 45 H LYS 45 -5.465 -2.968 -3.984 384 HA LYS 45 HA LYS 45 -6.614 -0.604 -4.984 385 HB2 LYS 45 2HB LYS 45 -6.473 -2.799 -6.173 386 HB3 LYS 45 1HB LYS 45 -7.754 -3.397 -5.131 387 HG2 LYS 45 2HG LYS 45 -9.324 -1.855 -6.049 388 HG3 LYS 45 1HG LYS 45 -8.054 -1.012 -6.938 389 HD2 LYS 45 2HD LYS 45 -7.680 -2.960 -8.318 390 HD3 LYS 45 1HD LYS 45 -8.837 -3.891 -7.367 391 HE2 LYS 45 2HE LYS 45 -9.494 -1.436 -8.992 392 HE3 LYS 45 1HE LYS 45 -9.780 -3.101 -9.498 393 HZ1 LYS 45 3HZ LYS 45 -10.975 -1.796 -7.113 394 HZ2 LYS 45 1HZ LYS 45 -11.250 -3.390 -7.610 395 HZ3 LYS 45 2HZ LYS 45 -11.774 -2.099 -8.576 396 H GLN 46 H GLN 46 -7.697 -2.868 -2.504 397 HA GLN 46 HA GLN 46 -10.217 -1.732 -1.975 398 HB2 GLN 46 2HB GLN 46 -9.601 -3.870 -1.041 399 HB3 GLN 46 1HB GLN 46 -8.244 -3.165 -0.192 400 HG2 GLN 46 2HG GLN 46 -10.128 -3.703 1.281 401 HG3 GLN 46 1HG GLN 46 -9.701 -1.994 1.300 402 HE21 GLN 46 1HE2 GLN 46 -11.697 -1.412 2.083 403 HE22 GLN 46 2HE2 GLN 46 -13.135 -1.444 1.107 404 H GLY 47 H GLY 47 -7.037 -1.134 -0.551 405 HA2 GLY 47 2HA GLY 47 -7.764 0.974 1.155 406 HA3 GLY 47 1HA GLY 47 -6.155 0.708 0.500 407 H VAL 48 H VAL 48 -6.672 1.002 -2.208 408 HA VAL 48 HA VAL 48 -6.522 3.749 -2.612 409 HB VAL 48 HB VAL 48 -7.334 1.584 -4.566 410 HG11 VAL 48 1HG1 VAL 48 -8.113 3.740 -5.375 411 HG12 VAL 48 2HG1 VAL 48 -6.747 3.174 -6.337 412 HG13 VAL 48 3HG1 VAL 48 -6.510 4.433 -5.122 413 HG21 VAL 48 3HG2 VAL 48 -4.692 2.957 -4.089 414 HG22 VAL 48 1HG2 VAL 48 -5.023 1.776 -5.357 415 HG23 VAL 48 2HG2 VAL 48 -5.098 1.295 -3.664 416 H LYS 49 H LYS 49 -9.307 1.572 -2.965 417 HA LYS 49 HA LYS 49 -11.170 3.412 -3.919 418 HB2 LYS 49 2HB LYS 49 -11.520 0.966 -3.799 419 HB3 LYS 49 1HB LYS 49 -11.647 1.081 -2.052 420 HG2 LYS 49 2HG LYS 49 -13.647 2.438 -2.261 421 HG3 LYS 49 1HG LYS 49 -13.515 2.387 -4.019 422 HD2 LYS 49 2HD LYS 49 -15.155 0.766 -3.164 423 HD3 LYS 49 1HD LYS 49 -13.814 -0.027 -3.995 424 HE2 LYS 49 2HE LYS 49 -12.752 -0.426 -1.792 425 HE3 LYS 49 1HE LYS 49 -14.177 0.264 -1.015 426 HZ1 LYS 49 3HZ LYS 49 -15.523 -1.489 -1.888 427 HZ2 LYS 49 1HZ LYS 49 -14.189 -2.183 -1.110 428 HZ3 LYS 49 2HZ LYS 49 -14.233 -2.111 -2.797 429 H VAL 50 H VAL 50 -10.294 2.597 -0.589 430 HA VAL 50 HA VAL 50 -12.155 4.326 0.675 431 HB VAL 50 HB VAL 50 -9.494 3.323 1.723 432 HG11 VAL 50 1HG1 VAL 50 -10.360 5.236 2.988 433 HG12 VAL 50 2HG1 VAL 50 -10.411 3.751 3.937 434 HG13 VAL 50 3HG1 VAL 50 -11.889 4.388 3.217 435 HG21 VAL 50 3HG2 VAL 50 -12.271 2.176 1.998 436 HG22 VAL 50 1HG2 VAL 50 -10.828 1.577 2.817 437 HG23 VAL 50 2HG2 VAL 50 -10.945 1.492 1.060 438 H TYR 51 H TYR 51 -8.739 4.749 -0.251 439 HA TYR 51 HA TYR 51 -8.537 7.391 0.740 440 HB2 TYR 51 2HB TYR 51 -6.904 5.748 -1.157 441 HB3 TYR 51 1HB TYR 51 -6.598 7.480 -1.032 442 HD1 TYR 51 2HD TYR 51 -5.915 8.450 1.143 443 HD2 TYR 51 1HD TYR 51 -6.199 4.249 0.571 444 HE1 TYR 51 2HE TYR 51 -4.562 8.094 3.165 445 HE2 TYR 51 1HE TYR 51 -4.853 3.874 2.595 446 HH TYR 51 HH TYR 51 -3.232 5.070 3.980 447 H LYS 52 H LYS 52 -9.538 6.081 -2.378 448 HA LYS 52 HA LYS 52 -9.790 8.524 -3.754 449 HB2 LYS 52 2HB LYS 52 -11.332 5.939 -4.020 450 HB3 LYS 52 1HB LYS 52 -11.538 7.302 -5.112 451 HG2 LYS 52 2HG LYS 52 -9.116 7.140 -5.663 452 HG3 LYS 52 1HG LYS 52 -9.049 5.667 -4.693 453 HD2 LYS 52 2HD LYS 52 -9.311 5.106 -7.036 454 HD3 LYS 52 1HD LYS 52 -10.769 4.662 -6.146 455 HE2 LYS 52 2HE LYS 52 -11.264 5.747 -8.308 456 HE3 LYS 52 1HE LYS 52 -11.903 6.646 -6.932 457 HZ1 LYS 52 3HZ LYS 52 -10.782 8.013 -8.679 458 HZ2 LYS 52 1HZ LYS 52 -9.313 7.294 -8.223 459 HZ3 LYS 52 2HZ LYS 52 -10.178 8.233 -7.109 460 H GLU 53 H GLU 53 -12.055 6.727 -1.713 461 HA GLU 53 HA GLU 53 -14.240 8.428 -1.875 462 HB2 GLU 53 2HB GLU 53 -13.193 6.522 0.173 463 HB3 GLU 53 1HB GLU 53 -14.554 7.547 0.584 464 HG2 GLU 53 2HG GLU 53 -14.427 5.626 -1.725 465 HG3 GLU 53 1HG GLU 53 -15.279 5.361 -0.204 466 H ALA 54 H ALA 54 -11.535 8.451 0.428 467 HA ALA 54 HA ALA 54 -12.396 10.751 1.823 468 HB1 ALA 54 1HB ALA 54 -10.180 10.754 2.822 469 HB2 ALA 54 2HB ALA 54 -9.611 9.623 1.596 470 HB3 ALA 54 3HB ALA 54 -10.830 9.115 2.766 471 H ALA 55 H ALA 55 -10.333 10.324 -1.001 472 HA ALA 55 HA ALA 55 -9.391 12.989 -1.139 473 HB1 ALA 55 1HB ALA 55 -9.751 11.022 -3.398 474 HB2 ALA 55 2HB ALA 55 -8.334 11.134 -2.353 475 HB3 ALA 55 3HB ALA 55 -8.750 12.474 -3.422 476 H GLU 56 H GLU 56 -12.265 11.399 -2.434 477 HA GLU 56 HA GLU 56 -13.086 13.718 -3.928 478 HB2 GLU 56 2HB GLU 56 -14.698 11.292 -3.112 479 HB3 GLU 56 1HB GLU 56 -15.178 12.492 -4.303 480 HG2 GLU 56 2HG GLU 56 -12.892 10.548 -4.502 481 HG3 GLU 56 1HG GLU 56 -14.391 10.535 -5.428 482 H LYS 57 H LYS 57 -13.748 12.314 -0.799 483 HA LYS 57 HA LYS 57 -15.620 14.430 -0.104 484 HB2 LYS 57 2HB LYS 57 -14.715 11.904 1.202 485 HB3 LYS 57 1HB LYS 57 -15.439 13.159 2.187 486 HG2 LYS 57 2HG LYS 57 -17.203 11.731 1.676 487 HG3 LYS 57 1HG LYS 57 -17.391 13.067 0.543 488 HD2 LYS 57 2HD LYS 57 -16.422 11.767 -1.231 489 HD3 LYS 57 1HD LYS 57 -16.028 10.458 -0.113 490 HE2 LYS 57 2HE LYS 57 -18.445 10.176 0.337 491 HE3 LYS 57 1HE LYS 57 -18.784 11.416 -0.868 492 HZ1 LYS 57 3HZ LYS 57 -19.042 9.251 -1.835 493 HZ2 LYS 57 1HZ LYS 57 -17.479 8.790 -1.357 494 HZ3 LYS 57 2HZ LYS 57 -17.688 10.000 -2.530 495 H ALA 58 H ALA 58 -12.673 14.854 -0.634 496 HA ALA 58 HA ALA 58 -11.199 15.360 1.633 497 HB1 ALA 58 1HB ALA 58 -11.245 17.035 -0.876 498 HB2 ALA 58 2HB ALA 58 -10.322 15.547 -0.651 499 HB3 ALA 58 3HB ALA 58 -9.946 16.974 0.317 500 H ARG 59 H ARG 59 -11.583 16.548 3.343 501 HA ARG 59 HA ARG 59 -13.677 18.560 3.254 502 HB2 ARG 59 2HB ARG 59 -12.157 17.469 5.630 503 HB3 ARG 59 1HB ARG 59 -13.620 18.445 5.684 504 HG2 ARG 59 2HG ARG 59 -14.858 16.655 4.573 505 HG3 ARG 59 1HG ARG 59 -13.392 15.675 4.517 506 HD2 ARG 59 2HD ARG 59 -14.768 14.967 6.366 507 HD3 ARG 59 1HD ARG 59 -13.305 15.731 6.986 508 HE ARG 59 HE ARG 59 -15.375 17.641 6.775 509 HH11 ARG 59 1HH1 ARG 59 -14.481 14.831 8.681 510 HH12 ARG 59 2HH1 ARG 59 -15.248 15.424 10.130 511 HH21 ARG 59 1HH2 ARG 59 -16.405 18.400 8.662 512 HH22 ARG 59 2HH2 ARG 59 -16.367 17.433 10.109 513 H ASN 60 H ASN 60 -10.244 18.395 3.361 514 HA ASN 60 HA ASN 60 -10.140 21.305 3.702 515 HB2 ASN 60 2HB ASN 60 -8.343 19.310 5.098 516 HB3 ASN 60 1HB ASN 60 -8.020 21.039 5.020 517 HD21 ASN 60 1HD2 ASN 60 -9.297 22.460 6.206 518 HD22 ASN 60 2HD2 ASN 60 -10.331 21.914 7.487 519 HA PRO 61 HA PRO 61 -7.845 21.167 -0.053 520 HB2 PRO 61 2HB PRO 61 -6.398 23.511 1.061 521 HB3 PRO 61 1HB PRO 61 -7.279 23.351 -0.462 522 HG2 PRO 61 2HG PRO 61 -8.324 24.727 1.564 523 HG3 PRO 61 1HG PRO 61 -9.346 23.696 0.544 524 HD2 PRO 61 2HD PRO 61 -8.278 23.178 3.293 525 HD3 PRO 61 1HD PRO 61 -9.875 22.799 2.611 526 H GLU 62 H GLU 62 -5.969 21.874 2.896 527 HA GLU 62 HA GLU 62 -3.465 21.119 1.930 528 HB2 GLU 62 2HB GLU 62 -4.452 20.795 4.749 529 HB3 GLU 62 1HB GLU 62 -2.821 21.054 4.219 530 HG2 GLU 62 2HG GLU 62 -3.407 23.109 5.069 531 HG3 GLU 62 1HG GLU 62 -3.692 23.316 3.342 532 H LYS 63 H LYS 63 -5.910 19.337 3.697 533 HA LYS 63 HA LYS 63 -4.429 16.924 3.867 534 HB2 LYS 63 2HB LYS 63 -7.410 17.337 4.179 535 HB3 LYS 63 1HB LYS 63 -6.478 15.964 4.770 536 HG2 LYS 63 2HG LYS 63 -5.226 17.455 6.253 537 HG3 LYS 63 1HG LYS 63 -6.168 18.824 5.668 538 HD2 LYS 63 2HD LYS 63 -8.217 17.726 6.530 539 HD3 LYS 63 1HD LYS 63 -7.210 16.435 7.194 540 HE2 LYS 63 2HE LYS 63 -5.990 18.139 8.523 541 HE3 LYS 63 1HE LYS 63 -7.105 19.363 7.921 542 HZ1 LYS 63 3HZ LYS 63 -8.927 18.121 8.963 543 HZ2 LYS 63 1HZ LYS 63 -7.771 18.622 10.095 544 HZ3 LYS 63 2HZ LYS 63 -7.812 17.007 9.586 545 H ARG 64 H ARG 64 -6.561 18.291 1.509 546 HA ARG 64 HA ARG 64 -7.186 16.005 0.013 547 HB2 ARG 64 2HB ARG 64 -8.063 18.412 -0.243 548 HB3 ARG 64 1HB ARG 64 -6.613 18.723 -1.177 549 HG2 ARG 64 2HG ARG 64 -8.581 16.563 -1.889 550 HG3 ARG 64 1HG ARG 64 -8.709 18.217 -2.482 551 HD2 ARG 64 2HD ARG 64 -6.463 17.998 -3.477 552 HD3 ARG 64 1HD ARG 64 -6.406 16.323 -2.933 553 HE ARG 64 HE ARG 64 -8.394 17.334 -4.870 554 HH11 ARG 64 1HH1 ARG 64 -6.247 14.828 -3.708 555 HH12 ARG 64 2HH1 ARG 64 -6.528 13.783 -5.070 556 HH21 ARG 64 1HH2 ARG 64 -8.767 15.962 -6.648 557 HH22 ARG 64 2HH2 ARG 64 -7.959 14.419 -6.726 558 H GLN 65 H GLN 65 -4.357 18.144 -0.000 559 HA GLN 65 HA GLN 65 -3.025 16.948 -2.183 560 HB2 GLN 65 2HB GLN 65 -1.942 18.477 0.187 561 HB3 GLN 65 1HB GLN 65 -1.067 18.131 -1.285 562 HG2 GLN 65 2HG GLN 65 -2.640 19.476 -2.565 563 HG3 GLN 65 1HG GLN 65 -3.549 19.812 -1.090 564 HE21 GLN 65 1HE2 GLN 65 -3.214 22.041 -1.277 565 HE22 GLN 65 2HE2 GLN 65 -1.673 22.766 -0.967 566 H VAL 66 H VAL 66 -2.906 16.387 1.308 567 HA VAL 66 HA VAL 66 -0.772 14.573 1.335 568 HB VAL 66 HB VAL 66 -3.166 14.599 3.188 569 HG11 VAL 66 1HG1 VAL 66 -0.386 13.496 3.570 570 HG12 VAL 66 2HG1 VAL 66 -1.864 12.555 3.375 571 HG13 VAL 66 3HG1 VAL 66 -1.643 13.561 4.806 572 HG21 VAL 66 3HG2 VAL 66 -0.528 16.046 3.420 573 HG22 VAL 66 1HG2 VAL 66 -1.801 16.017 4.639 574 HG23 VAL 66 2HG2 VAL 66 -2.093 16.789 3.082 575 H ILE 67 H ILE 67 -4.280 13.985 1.178 576 HA ILE 67 HA ILE 67 -4.109 11.188 0.896 577 HB ILE 67 HB ILE 67 -6.287 13.020 -0.120 578 HG12 ILE 67 2HG1 ILE 67 -6.090 11.555 2.522 579 HG13 ILE 67 1HG1 ILE 67 -5.776 13.274 2.309 580 HG21 ILE 67 1HG2 ILE 67 -6.424 10.801 -1.097 581 HG22 ILE 67 2HG2 ILE 67 -7.726 11.036 0.067 582 HG23 ILE 67 3HG2 ILE 67 -6.319 10.066 0.503 583 HD11 ILE 67 3HD1 ILE 67 -8.077 13.619 1.613 584 HD12 ILE 67 1HD1 ILE 67 -8.000 12.860 3.204 585 HD13 ILE 67 2HD1 ILE 67 -8.396 11.892 1.783 586 H ASP 68 H ASP 68 -4.101 13.817 -1.457 587 HA ASP 68 HA ASP 68 -4.382 12.349 -3.821 588 HB2 ASP 68 2HB ASP 68 -4.499 14.784 -3.784 589 HB3 ASP 68 1HB ASP 68 -2.809 14.885 -3.309 590 H LYS 69 H LYS 69 -1.443 13.339 -2.104 591 HA LYS 69 HA LYS 69 0.328 12.142 -3.965 592 HB2 LYS 69 2HB LYS 69 0.883 12.809 -1.069 593 HB3 LYS 69 1HB LYS 69 2.085 12.540 -2.327 594 HG2 LYS 69 2HG LYS 69 0.186 14.842 -2.015 595 HG3 LYS 69 1HG LYS 69 1.950 14.868 -2.092 596 HD2 LYS 69 2HD LYS 69 1.944 14.374 -4.409 597 HD3 LYS 69 1HD LYS 69 0.233 13.950 -4.383 598 HE2 LYS 69 2HE LYS 69 -0.165 16.373 -3.662 599 HE3 LYS 69 1HE LYS 69 1.496 16.665 -4.179 600 HZ1 LYS 69 3HZ LYS 69 -0.104 17.153 -5.937 601 HZ2 LYS 69 1HZ LYS 69 -0.667 15.553 -5.886 602 HZ3 LYS 69 2HZ LYS 69 0.923 15.881 -6.386 603 H ILE 70 H ILE 70 -1.084 10.951 -0.944 604 HA ILE 70 HA ILE 70 0.359 8.510 -0.898 605 HB ILE 70 HB ILE 70 -2.349 9.164 0.282 606 HG12 ILE 70 2HG1 ILE 70 0.411 9.105 1.522 607 HG13 ILE 70 1HG1 ILE 70 -0.507 10.556 1.136 608 HG21 ILE 70 1HG2 ILE 70 -2.113 6.768 0.043 609 HG22 ILE 70 2HG2 ILE 70 -1.957 7.212 1.742 610 HG23 ILE 70 3HG2 ILE 70 -0.519 6.819 0.797 611 HD11 ILE 70 3HD1 ILE 70 -1.305 8.456 3.140 612 HD12 ILE 70 1HD1 ILE 70 -2.203 9.928 2.764 613 HD13 ILE 70 2HD1 ILE 70 -0.609 10.033 3.510 614 H LEU 71 H LEU 71 -2.759 9.465 -2.257 615 HA LEU 71 HA LEU 71 -3.634 6.951 -3.130 616 HB2 LEU 71 2HB LEU 71 -4.468 9.647 -3.360 617 HB3 LEU 71 1HB LEU 71 -4.436 8.985 -4.981 618 HG LEU 71 HG LEU 71 -5.982 7.881 -2.639 619 HD11 LEU 71 1HD1 LEU 71 -6.866 9.242 -5.176 620 HD12 LEU 71 2HD1 LEU 71 -6.942 9.912 -3.545 621 HD13 LEU 71 3HD1 LEU 71 -7.935 8.517 -3.974 622 HD21 LEU 71 3HD2 LEU 71 -5.183 6.087 -4.075 623 HD22 LEU 71 1HD2 LEU 71 -5.822 6.920 -5.493 624 HD23 LEU 71 2HD2 LEU 71 -6.923 6.307 -4.257 625 H GLU 72 H GLU 72 -1.588 9.357 -4.700 626 HA GLU 72 HA GLU 72 -1.509 8.171 -7.242 627 HB2 GLU 72 2HB GLU 72 -0.717 10.484 -6.609 628 HB3 GLU 72 1HB GLU 72 0.735 9.733 -5.973 629 HG2 GLU 72 2HG GLU 72 1.453 9.041 -8.076 630 HG3 GLU 72 1HG GLU 72 -0.141 9.267 -8.797 631 H ASP 73 H ASP 73 0.601 7.785 -4.433 632 HA ASP 73 HA ASP 73 2.427 6.009 -5.604 633 HB2 ASP 73 2HB ASP 73 1.601 6.549 -2.785 634 HB3 ASP 73 1HB ASP 73 2.620 5.156 -3.127 635 H GLU 74 H GLU 74 -0.629 5.355 -3.908 636 HA GLU 74 HA GLU 74 -0.272 2.551 -3.875 637 HB2 GLU 74 2HB GLU 74 -2.890 4.044 -3.799 638 HB3 GLU 74 1HB GLU 74 -2.604 2.401 -3.251 639 HG2 GLU 74 2HG GLU 74 -1.476 4.912 -2.038 640 HG3 GLU 74 1HG GLU 74 -2.775 3.923 -1.383 641 H GLU 75 H GLU 75 -2.080 4.674 -6.116 642 HA GLU 75 HA GLU 75 -3.001 2.764 -7.892 643 HB2 GLU 75 2HB GLU 75 -3.217 5.408 -7.657 644 HB3 GLU 75 1HB GLU 75 -1.936 5.379 -8.858 645 HG2 GLU 75 2HG GLU 75 -3.844 5.544 -10.097 646 HG3 GLU 75 1HG GLU 75 -3.469 3.829 -10.161 647 H LYS 76 H LYS 76 0.075 4.402 -7.591 648 HA LYS 76 HA LYS 76 1.347 3.439 -9.914 649 HB2 LYS 76 2HB LYS 76 2.097 5.384 -8.633 650 HB3 LYS 76 1HB LYS 76 2.477 4.354 -7.266 651 HG2 LYS 76 2HG LYS 76 4.100 3.172 -8.853 652 HG3 LYS 76 1HG LYS 76 3.887 4.587 -9.891 653 HD2 LYS 76 2HD LYS 76 4.849 4.586 -7.030 654 HD3 LYS 76 1HD LYS 76 5.827 4.892 -8.465 655 HE2 LYS 76 2HE LYS 76 4.661 6.920 -8.917 656 HE3 LYS 76 1HE LYS 76 3.450 6.568 -7.684 657 HZ1 LYS 76 3HZ LYS 76 4.985 6.939 -5.977 658 HZ2 LYS 76 1HZ LYS 76 5.239 8.213 -7.064 659 HZ3 LYS 76 2HZ LYS 76 6.313 6.906 -7.023 660 H HIS 77 H HIS 77 1.230 2.260 -6.577 661 HA HIS 77 HA HIS 77 3.074 0.169 -6.827 662 HB2 HIS 77 2HB HIS 77 0.656 0.401 -5.019 663 HB3 HIS 77 1HB HIS 77 1.905 -0.825 -4.854 664 HD2 HIS 77 2HD HIS 77 4.341 1.504 -5.420 665 HE1 HIS 77 1HE HIS 77 2.928 2.871 -1.671 666 HE2 HIS 77 2HE HIS 77 4.899 2.852 -3.279 667 H ILE 78 H ILE 78 -0.433 0.231 -7.313 668 HA ILE 78 HA ILE 78 -0.821 -2.453 -7.967 669 HB ILE 78 HB ILE 78 -2.255 -0.042 -9.108 670 HG12 ILE 78 2HG1 ILE 78 -2.968 -1.819 -6.760 671 HG13 ILE 78 1HG1 ILE 78 -2.308 -0.193 -6.630 672 HG21 ILE 78 1HG2 ILE 78 -2.671 -1.987 -10.472 673 HG22 ILE 78 2HG2 ILE 78 -4.110 -1.630 -9.515 674 HG23 ILE 78 3HG2 ILE 78 -3.040 -2.952 -9.043 675 HD11 ILE 78 3HD1 ILE 78 -4.693 -0.175 -6.263 676 HD12 ILE 78 1HD1 ILE 78 -4.966 -0.950 -7.826 677 HD13 ILE 78 2HD1 ILE 78 -4.307 0.685 -7.754 678 H GLU 79 H GLU 79 0.180 0.278 -9.952 679 HA GLU 79 HA GLU 79 0.215 -1.038 -12.443 680 HB2 GLU 79 2HB GLU 79 0.761 1.533 -11.462 681 HB3 GLU 79 1HB GLU 79 2.254 1.005 -12.220 682 HG2 GLU 79 2HG GLU 79 -0.413 0.893 -13.597 683 HG3 GLU 79 1HG GLU 79 0.660 2.287 -13.675 684 H TRP 80 H TRP 80 2.699 -0.607 -9.941 685 HA TRP 80 HA TRP 80 4.860 -1.707 -11.368 686 HB2 TRP 80 2HB TRP 80 4.292 -1.540 -8.410 687 HB3 TRP 80 1HB TRP 80 5.781 -2.226 -9.042 688 HD1 TRP 80 HD TRP 80 5.239 0.454 -11.342 689 HE1 TRP 80 1HE TRP 80 6.453 2.610 -10.629 690 HE3 TRP 80 3HE TRP 80 6.189 -0.731 -6.462 691 HZ2 TRP 80 2HZ TRP 80 7.661 3.660 -8.298 692 HZ3 TRP 80 3HZ TRP 80 7.377 0.903 -5.059 693 HH2 TRP 80 HH TRP 80 8.096 3.051 -5.960 694 H HIS 81 H HIS 81 2.563 -3.236 -9.132 695 HA HIS 81 HA HIS 81 3.738 -5.816 -9.379 696 HB2 HIS 81 2HB HIS 81 1.074 -4.908 -8.294 697 HB3 HIS 81 1HB HIS 81 1.580 -6.595 -8.297 698 HD1 HIS 81 1HD HIS 81 3.646 -7.193 -6.733 699 HD2 HIS 81 2HD HIS 81 2.156 -3.339 -6.331 700 HE1 HIS 81 1HE HIS 81 4.686 -6.249 -4.631 701 H LYS 82 H LYS 82 1.251 -4.103 -11.094 702 HA LYS 82 HA LYS 82 0.131 -6.269 -12.511 703 HB2 LYS 82 2HB LYS 82 -0.961 -4.094 -12.353 704 HB3 LYS 82 1HB LYS 82 0.357 -3.344 -13.240 705 HG2 LYS 82 2HG LYS 82 -0.231 -4.720 -15.204 706 HG3 LYS 82 1HG LYS 82 -1.608 -5.359 -14.301 707 HD2 LYS 82 2HD LYS 82 -2.530 -3.127 -14.079 708 HD3 LYS 82 1HD LYS 82 -1.132 -2.446 -14.914 709 HE2 LYS 82 2HE LYS 82 -1.727 -3.751 -16.916 710 HE3 LYS 82 1HE LYS 82 -3.151 -4.360 -16.071 711 HZ1 LYS 82 3HZ LYS 82 -3.679 -2.493 -17.516 712 HZ2 LYS 82 1HZ LYS 82 -2.600 -1.503 -16.662 713 HZ3 LYS 82 2HZ LYS 82 -3.984 -2.116 -15.892 714 H ALA 83 H ALA 83 2.741 -4.002 -13.322 715 HA ALA 83 HA ALA 83 3.293 -5.182 -15.857 716 HB1 ALA 83 1HB ALA 83 3.879 -2.860 -15.306 717 HB2 ALA 83 2HB ALA 83 5.275 -3.782 -15.862 718 HB3 ALA 83 3HB ALA 83 5.067 -3.447 -14.143 719 H ALA 84 H ALA 84 4.448 -5.712 -12.599 720 HA ALA 84 HA ALA 84 6.708 -7.289 -13.299 721 HB1 ALA 84 1HB ALA 84 6.508 -6.086 -11.170 722 HB2 ALA 84 2HB ALA 84 6.877 -7.797 -10.955 723 HB3 ALA 84 3HB ALA 84 5.238 -7.205 -10.676 724 H SER 85 H SER 85 3.325 -8.050 -12.879 725 HA SER 85 HA SER 85 3.783 -10.776 -12.131 726 HB2 SER 85 2HB SER 85 1.225 -10.913 -12.575 727 HB3 SER 85 1HB SER 85 1.819 -9.963 -11.214 728 HG SER 85 HG SER 85 1.339 -8.132 -12.247 729 H LYS 86 H LYS 86 5.179 -11.244 -13.960 730 HA LYS 86 HA LYS 86 3.557 -12.690 -15.926 731 HB2 LYS 86 2HB LYS 86 5.943 -10.947 -16.502 732 HB3 LYS 86 1HB LYS 86 5.545 -12.305 -17.545 733 HG2 LYS 86 2HG LYS 86 3.689 -10.016 -16.915 734 HG3 LYS 86 1HG LYS 86 4.663 -10.164 -18.382 735 HD2 LYS 86 2HD LYS 86 3.503 -12.296 -18.883 736 HD3 LYS 86 1HD LYS 86 2.485 -12.043 -17.466 737 HE2 LYS 86 2HE LYS 86 2.671 -10.130 -19.786 738 HE3 LYS 86 1HE LYS 86 1.436 -11.376 -19.629 739 HZ1 LYS 86 3HZ LYS 86 0.669 -9.201 -18.872 740 HZ2 LYS 86 1HZ LYS 86 1.884 -9.164 -17.694 741 HZ3 LYS 86 2HZ LYS 86 0.659 -10.333 -17.609 742 H GLN 87 H GLN 87 6.911 -12.272 -14.777 743 HA GLN 87 HA GLN 87 6.902 -15.137 -14.089 744 HB2 GLN 87 2HB GLN 87 8.364 -14.819 -16.020 745 HB3 GLN 87 1HB GLN 87 9.220 -13.528 -15.188 746 HG2 GLN 87 2HG GLN 87 10.501 -15.592 -15.168 747 HG3 GLN 87 1HG GLN 87 10.044 -15.109 -13.536 748 HE21 GLN 87 1HE2 GLN 87 10.275 -17.180 -12.727 749 HE22 GLN 87 2HE2 GLN 87 9.161 -18.453 -13.086 750 H GLY 88 H GLY 88 6.794 -15.234 -11.950 751 HA2 GLY 88 2HA GLY 88 7.739 -13.031 -10.318 752 HA3 GLY 88 1HA GLY 88 6.885 -14.462 -9.758 753 H ASN 89 H ASN 89 10.022 -13.244 -10.817 754 HA ASN 89 HA ASN 89 11.400 -15.554 -9.735 755 HB2 ASN 89 2HB ASN 89 12.299 -14.441 -11.733 756 HB3 ASN 89 1HB ASN 89 12.477 -12.940 -10.830 757 HD21 ASN 89 1HD2 ASN 89 14.687 -12.932 -11.346 758 HD22 ASN 89 2HD2 ASN 89 15.806 -13.962 -10.509 759 H ALA 90 H ALA 90 12.118 -15.730 -7.730 760 HA ALA 90 HA ALA 90 10.850 -14.392 -5.726 761 HB1 ALA 90 1HB ALA 90 11.859 -16.576 -5.458 762 HB2 ALA 90 2HB ALA 90 12.391 -15.480 -4.181 763 HB3 ALA 90 3HB ALA 90 13.469 -15.858 -5.524 764 H GLU 91 H GLU 91 14.303 -13.899 -6.528 765 HA GLU 91 HA GLU 91 14.758 -12.010 -4.534 766 HB2 GLU 91 2HB GLU 91 16.169 -12.383 -7.169 767 HB3 GLU 91 1HB GLU 91 16.775 -11.444 -5.826 768 HG2 GLU 91 2HG GLU 91 17.885 -13.357 -5.396 769 HG3 GLU 91 1HG GLU 91 16.384 -13.754 -4.561 770 H GLN 92 H GLN 92 14.081 -11.473 -7.990 771 HA GLN 92 HA GLN 92 14.162 -8.648 -7.728 772 HB2 GLN 92 2HB GLN 92 13.239 -8.573 -10.010 773 HB3 GLN 92 1HB GLN 92 14.617 -9.651 -9.880 774 HG2 GLN 92 2HG GLN 92 13.229 -10.899 -11.179 775 HG3 GLN 92 1HG GLN 92 12.776 -11.484 -9.582 776 HE21 GLN 92 1HE2 GLN 92 11.819 -8.344 -10.743 777 HE22 GLN 92 2HE2 GLN 92 10.144 -8.717 -10.951 778 H PHE 93 H PHE 93 11.618 -11.025 -7.422 779 HA PHE 93 HA PHE 93 9.457 -9.191 -7.364 780 HB2 PHE 93 2HB PHE 93 9.231 -11.677 -7.654 781 HB3 PHE 93 1HB PHE 93 9.638 -11.861 -5.952 782 HD1 PHE 93 1HD PHE 93 7.181 -10.260 -8.228 783 HD2 PHE 93 2HD PHE 93 7.982 -11.763 -4.329 784 HE1 PHE 93 1HE PHE 93 4.811 -9.967 -7.631 785 HE2 PHE 93 2HE PHE 93 5.615 -11.477 -3.729 786 HZ PHE 93 HZ PHE 93 4.028 -10.576 -5.380 787 H ALA 94 H ALA 94 11.497 -10.637 -4.862 788 HA ALA 94 HA ALA 94 10.354 -9.418 -2.621 789 HB1 ALA 94 1HB ALA 94 12.471 -9.864 -1.495 790 HB2 ALA 94 2HB ALA 94 13.245 -10.164 -3.052 791 HB3 ALA 94 3HB ALA 94 11.978 -11.245 -2.475 792 H SER 95 H SER 95 12.755 -8.248 -4.918 793 HA SER 95 HA SER 95 13.557 -5.940 -3.571 794 HB2 SER 95 2HB SER 95 13.344 -6.438 -6.551 795 HB3 SER 95 1HB SER 95 14.289 -5.175 -5.781 796 HG SER 95 HG SER 95 14.672 -7.933 -5.247 797 H LEU 96 H LEU 96 10.899 -6.505 -5.850 798 HA LEU 96 HA LEU 96 9.942 -3.864 -5.981 799 HB2 LEU 96 2HB LEU 96 9.260 -5.575 -7.561 800 HB3 LEU 96 1HB LEU 96 8.503 -6.499 -6.284 801 HG LEU 96 HG LEU 96 6.809 -4.757 -5.991 802 HD11 LEU 96 1HD1 LEU 96 8.142 -2.813 -6.604 803 HD12 LEU 96 2HD1 LEU 96 6.674 -2.891 -7.580 804 HD13 LEU 96 3HD1 LEU 96 8.222 -3.377 -8.275 805 HD21 LEU 96 3HD2 LEU 96 6.367 -6.553 -7.563 806 HD22 LEU 96 1HD2 LEU 96 7.159 -5.645 -8.852 807 HD23 LEU 96 2HD2 LEU 96 5.661 -5.044 -8.142 808 H VAL 97 H VAL 97 9.029 -6.582 -3.915 809 HA VAL 97 HA VAL 97 7.024 -5.288 -2.438 810 HB VAL 97 HB VAL 97 8.844 -7.554 -1.593 811 HG11 VAL 97 1HG1 VAL 97 6.186 -6.682 -0.473 812 HG12 VAL 97 2HG1 VAL 97 7.751 -6.529 0.323 813 HG13 VAL 97 3HG1 VAL 97 7.078 -8.127 0.001 814 HG21 VAL 97 3HG2 VAL 97 6.104 -7.593 -2.862 815 HG22 VAL 97 1HG2 VAL 97 6.998 -9.007 -2.303 816 HG23 VAL 97 2HG2 VAL 97 7.619 -8.045 -3.646 817 H GLN 98 H GLN 98 10.502 -5.545 -1.937 818 HA GLN 98 HA GLN 98 10.674 -4.426 0.617 819 HB2 GLN 98 2HB GLN 98 12.508 -5.603 -0.588 820 HB3 GLN 98 1HB GLN 98 12.683 -4.203 -1.634 821 HG2 GLN 98 2HG GLN 98 13.212 -2.848 0.386 822 HG3 GLN 98 1HG GLN 98 13.201 -4.341 1.325 823 HE21 GLN 98 1HE2 GLN 98 14.841 -5.870 0.988 824 HE22 GLN 98 2HE2 GLN 98 16.311 -5.469 0.169 825 H GLN 99 H GLN 99 10.806 -2.867 -2.574 826 HA GLN 99 HA GLN 99 11.255 -0.258 -1.503 827 HB2 GLN 99 2HB GLN 99 10.301 -1.061 -4.257 828 HB3 GLN 99 1HB GLN 99 10.914 0.524 -3.799 829 HG2 GLN 99 2HG GLN 99 13.080 -0.499 -3.242 830 HG3 GLN 99 1HG GLN 99 12.460 -2.060 -3.774 831 HE21 GLN 99 1HE2 GLN 99 11.766 1.008 -5.326 832 HE22 GLN 99 2HE2 GLN 99 12.623 0.667 -6.791 833 H HIS 100 H HIS 100 8.410 -2.049 -2.549 834 HA HIS 100 HA HIS 100 6.504 0.024 -2.332 835 HB2 HIS 100 2HB HIS 100 6.145 -2.243 -3.372 836 HB3 HIS 100 1HB HIS 100 6.121 -2.932 -1.759 837 HD1 HIS 100 1HD HIS 100 3.686 -3.371 -3.496 838 HD2 HIS 100 2HD HIS 100 4.112 -0.083 -0.987 839 HE1 HIS 100 1HE HIS 100 1.351 -2.566 -2.984 840 H LEU 101 H LEU 101 7.841 -2.265 -0.007 841 HA LEU 101 HA LEU 101 6.236 -1.712 2.199 842 HB2 LEU 101 2HB LEU 101 8.301 -3.384 1.674 843 HB3 LEU 101 1HB LEU 101 9.104 -2.220 2.707 844 HG LEU 101 HG LEU 101 6.617 -3.745 3.484 845 HD11 LEU 101 1HD1 LEU 101 8.500 -5.260 3.171 846 HD12 LEU 101 2HD1 LEU 101 8.101 -5.093 4.880 847 HD13 LEU 101 3HD1 LEU 101 9.499 -4.250 4.217 848 HD21 LEU 101 3HD2 LEU 101 6.855 -1.647 4.678 849 HD22 LEU 101 1HD2 LEU 101 8.525 -2.042 5.086 850 HD23 LEU 101 2HD2 LEU 101 7.204 -3.000 5.752 851 H GLN 102 H GLN 102 9.248 -0.158 1.130 852 HA GLN 102 HA GLN 102 9.562 1.597 3.261 853 HB2 GLN 102 2HB GLN 102 10.406 1.735 0.369 854 HB3 GLN 102 1HB GLN 102 10.956 2.835 1.602 855 HG2 GLN 102 2HG GLN 102 11.377 -0.131 1.672 856 HG3 GLN 102 1HG GLN 102 12.566 1.037 1.104 857 HE21 GLN 102 1HE2 GLN 102 14.066 0.471 2.659 858 HE22 GLN 102 2HE2 GLN 102 13.876 0.864 4.329 859 H ASP 103 H ASP 103 7.725 1.854 0.263 860 HA ASP 103 HA ASP 103 7.102 4.604 0.439 861 HB2 ASP 103 2HB ASP 103 6.084 2.289 -1.095 862 HB3 ASP 103 1HB ASP 103 4.965 3.630 -0.902 863 H GLU 104 H GLU 104 5.303 1.715 1.462 864 HA GLU 104 HA GLU 104 3.032 3.110 2.363 865 HB2 GLU 104 2HB GLU 104 4.065 0.423 3.278 866 HB3 GLU 104 1HB GLU 104 2.443 1.043 3.548 867 HG2 GLU 104 2HG GLU 104 3.689 0.396 0.888 868 HG3 GLU 104 1HG GLU 104 2.456 -0.541 1.726 869 H GLN 105 H GLN 105 6.035 2.216 3.994 870 HA GLN 105 HA GLN 105 5.247 2.915 6.594 871 HB2 GLN 105 2HB GLN 105 7.949 2.833 5.256 872 HB3 GLN 105 1HB GLN 105 7.731 3.174 6.960 873 HG2 GLN 105 2HG GLN 105 6.633 1.000 7.248 874 HG3 GLN 105 1HG GLN 105 6.924 0.653 5.543 875 HE21 GLN 105 1HE2 GLN 105 9.020 0.232 4.847 876 HE22 GLN 105 2HE2 GLN 105 10.295 -0.164 5.945 877 H ARG 106 H ARG 106 6.635 4.800 3.950 878 HA ARG 106 HA ARG 106 6.961 7.213 5.410 879 HB2 ARG 106 2HB ARG 106 8.148 6.875 3.336 880 HB3 ARG 106 1HB ARG 106 6.642 6.682 2.449 881 HG2 ARG 106 2HG ARG 106 6.079 9.018 2.887 882 HG3 ARG 106 1HG ARG 106 7.588 9.213 3.781 883 HD2 ARG 106 2HD ARG 106 7.635 10.034 1.411 884 HD3 ARG 106 1HD ARG 106 8.890 8.869 1.826 885 HE ARG 106 HE ARG 106 7.957 7.350 0.374 886 HH11 ARG 106 1HH1 ARG 106 5.754 10.034 0.819 887 HH12 ARG 106 2HH1 ARG 106 4.700 9.570 -0.479 888 HH21 ARG 106 1HH2 ARG 106 6.583 6.716 -1.351 889 HH22 ARG 106 2HH2 ARG 106 5.167 7.676 -1.716 890 H HIS 107 H HIS 107 4.262 5.812 3.632 891 HA HIS 107 HA HIS 107 2.548 8.060 3.725 892 HB2 HIS 107 2HB HIS 107 1.848 5.108 3.737 893 HB3 HIS 107 1HB HIS 107 0.700 6.413 3.467 894 HD2 HIS 107 2HD HIS 107 3.135 7.883 1.427 895 HE1 HIS 107 1HE HIS 107 1.849 4.666 -1.000 896 HE2 HIS 107 2HE HIS 107 2.942 6.956 -0.986 897 H VAL 108 H VAL 108 2.977 5.298 5.905 898 HA VAL 108 HA VAL 108 1.212 6.085 7.928 899 HB VAL 108 HB VAL 108 3.829 4.582 8.171 900 HG11 VAL 108 1HG1 VAL 108 3.134 5.474 10.336 901 HG12 VAL 108 2HG1 VAL 108 2.964 3.719 10.287 902 HG13 VAL 108 3HG1 VAL 108 1.539 4.749 10.132 903 HG21 VAL 108 3HG2 VAL 108 2.279 3.484 6.677 904 HG22 VAL 108 1HG2 VAL 108 0.992 3.607 7.881 905 HG23 VAL 108 2HG2 VAL 108 2.393 2.582 8.188 906 H GLU 109 H GLU 109 4.596 6.911 7.346 907 HA GLU 109 HA GLU 109 5.145 8.376 9.636 908 HB2 GLU 109 2HB GLU 109 6.177 8.539 6.817 909 HB3 GLU 109 1HB GLU 109 6.792 9.580 8.077 910 HG2 GLU 109 2HG GLU 109 6.923 6.589 7.962 911 HG3 GLU 109 1HG GLU 109 8.263 7.731 7.853 912 H GLU 110 H GLU 110 3.558 9.382 6.642 913 HA GLU 110 HA GLU 110 3.421 12.139 7.321 914 HB2 GLU 110 2HB GLU 110 2.485 10.418 5.170 915 HB3 GLU 110 1HB GLU 110 1.315 11.658 5.585 916 HG2 GLU 110 2HG GLU 110 4.180 12.083 4.773 917 HG3 GLU 110 1HG GLU 110 2.740 12.448 3.823 918 H ILE 111 H ILE 111 1.088 9.465 7.544 919 HA ILE 111 HA ILE 111 -1.037 10.971 8.612 920 HB ILE 111 HB ILE 111 -0.435 8.034 9.017 921 HG12 ILE 111 2HG1 ILE 111 -2.214 9.410 6.988 922 HG13 ILE 111 1HG1 ILE 111 -0.629 8.725 6.643 923 HG21 ILE 111 1HG2 ILE 111 -3.017 9.554 9.379 924 HG22 ILE 111 2HG2 ILE 111 -2.021 8.879 10.667 925 HG23 ILE 111 3HG2 ILE 111 -2.818 7.807 9.517 926 HD11 ILE 111 3HD1 ILE 111 -1.467 6.509 7.233 927 HD12 ILE 111 1HD1 ILE 111 -2.405 7.236 5.927 928 HD13 ILE 111 2HD1 ILE 111 -3.053 7.201 7.566 929 H GLU 112 H GLU 112 1.581 9.179 10.182 930 HA GLU 112 HA GLU 112 0.767 9.568 12.831 931 HB2 GLU 112 2HB GLU 112 3.348 8.944 11.463 932 HB3 GLU 112 1HB GLU 112 3.345 9.311 13.175 933 HG2 GLU 112 2HG GLU 112 1.633 7.177 11.938 934 HG3 GLU 112 1HG GLU 112 3.240 6.881 12.602 935 H LYS 113 H LYS 113 2.667 11.560 10.624 936 HA LYS 113 HA LYS 113 3.157 13.538 12.702 937 HB2 LYS 113 2HB LYS 113 4.354 12.856 10.179 938 HB3 LYS 113 1HB LYS 113 3.945 14.566 10.201 939 HG2 LYS 113 2HG LYS 113 5.298 13.519 12.605 940 HG3 LYS 113 1HG LYS 113 6.257 13.570 11.127 941 HD2 LYS 113 2HD LYS 113 6.582 15.623 12.346 942 HD3 LYS 113 1HD LYS 113 5.666 15.967 10.881 943 HE2 LYS 113 2HE LYS 113 3.584 15.831 12.297 944 HE3 LYS 113 1HE LYS 113 4.645 15.792 13.706 945 HZ1 LYS 113 3HZ LYS 113 5.490 17.933 13.171 946 HZ2 LYS 113 1HZ LYS 113 3.796 18.039 13.098 947 HZ3 LYS 113 2HZ LYS 113 4.701 17.945 11.669 948 H LYS 114 H LYS 114 0.511 12.810 11.160 949 HA LYS 114 HA LYS 114 -0.288 15.561 10.553 950 HB2 LYS 114 2HB LYS 114 -0.924 13.141 9.351 951 HB3 LYS 114 1HB LYS 114 -2.354 13.509 10.303 952 HG2 LYS 114 2HG LYS 114 -2.830 14.468 8.257 953 HG3 LYS 114 1HG LYS 114 -2.231 15.831 9.198 954 HD2 LYS 114 2HD LYS 114 -0.519 14.208 7.317 955 HD3 LYS 114 1HD LYS 114 -1.357 15.687 6.849 956 HE2 LYS 114 2HE LYS 114 -0.114 16.916 8.580 957 HE3 LYS 114 1HE LYS 114 0.744 15.435 9.004 958 HZ1 LYS 114 3HZ LYS 114 1.664 15.377 6.755 959 HZ2 LYS 114 1HZ LYS 114 2.065 16.831 7.540 960 HZ3 LYS 114 2HZ LYS 114 0.847 16.806 6.370 961 H ASN 115 H ASN 115 0.115 13.828 13.166 962 HA ASN 115 HA ASN 115 -2.362 14.632 14.522 963 HB2 ASN 115 2HB ASN 115 -0.290 12.527 15.097 964 HB3 ASN 115 1HB ASN 115 -1.345 13.118 16.378 965 HD21 ASN 115 1HD2 ASN 115 -1.237 11.448 13.302 966 HD22 ASN 115 2HD2 ASN 115 -2.781 10.689 13.455 Start of MODEL 16 1 H1 MET 1 H1 MET 1 -10.128 14.515 5.965 2 H2 MET 1 H2 MET 1 -11.543 13.804 5.364 3 H3 MET 1 H3 MET 1 -10.184 13.951 4.368 4 HA MET 1 HA MET 1 -10.447 11.684 5.159 5 HB2 MET 1 2HB MET 1 -8.203 12.782 4.712 6 HB3 MET 1 1HB MET 1 -8.072 13.059 6.440 7 HG2 MET 1 2HG MET 1 -8.124 10.651 6.839 8 HG3 MET 1 1HG MET 1 -8.272 10.366 5.102 9 HE1 MET 1 2HE MET 1 -4.587 9.211 5.821 10 HE2 MET 1 3HE MET 1 -6.124 8.768 5.078 11 HE3 MET 1 1HE MET 1 -6.015 8.976 6.827 12 H ASP 2 H ASP 2 -12.374 12.527 6.723 13 HA ASP 2 HA ASP 2 -11.826 12.838 9.466 14 HB2 ASP 2 2HB ASP 2 -14.344 11.845 8.110 15 HB3 ASP 2 1HB ASP 2 -14.225 12.349 9.792 16 H GLU 3 H GLU 3 -13.092 9.981 7.731 17 HA GLU 3 HA GLU 3 -12.172 8.232 9.833 18 HB2 GLU 3 2HB GLU 3 -13.327 7.674 7.093 19 HB3 GLU 3 1HB GLU 3 -12.785 6.407 8.181 20 HG2 GLU 3 2HG GLU 3 -15.042 6.448 8.588 21 HG3 GLU 3 1HG GLU 3 -14.428 7.492 9.865 22 H LEU 4 H LEU 4 -10.056 7.841 10.054 23 HA LEU 4 HA LEU 4 -8.498 7.339 7.617 24 HB2 LEU 4 2HB LEU 4 -6.656 8.661 8.309 25 HB3 LEU 4 1HB LEU 4 -8.084 9.669 8.395 26 HG LEU 4 HG LEU 4 -6.900 8.329 10.826 27 HD11 LEU 4 1HD1 LEU 4 -5.825 10.469 11.314 28 HD12 LEU 4 2HD1 LEU 4 -6.350 11.090 9.750 29 HD13 LEU 4 3HD1 LEU 4 -5.200 9.755 9.828 30 HD21 LEU 4 3HD2 LEU 4 -8.729 10.704 10.508 31 HD22 LEU 4 1HD2 LEU 4 -8.124 10.057 12.032 32 HD23 LEU 4 2HD2 LEU 4 -9.215 9.093 11.034 33 H ARG 5 H ARG 5 -9.316 6.404 10.778 34 HA ARG 5 HA ARG 5 -6.918 5.040 11.450 35 HB2 ARG 5 2HB ARG 5 -8.508 5.683 13.172 36 HB3 ARG 5 1HB ARG 5 -9.746 4.663 12.452 37 HG2 ARG 5 2HG ARG 5 -8.674 2.697 13.113 38 HG3 ARG 5 1HG ARG 5 -7.154 3.533 13.429 39 HD2 ARG 5 2HD ARG 5 -8.436 2.870 15.476 40 HD3 ARG 5 1HD ARG 5 -8.042 4.584 15.372 41 HE ARG 5 HE ARG 5 -10.561 4.294 14.263 42 HH11 ARG 5 1HH1 ARG 5 -9.096 3.578 17.361 43 HH12 ARG 5 2HH1 ARG 5 -10.510 4.020 18.275 44 HH21 ARG 5 1HH2 ARG 5 -12.427 4.834 15.450 45 HH22 ARG 5 2HH2 ARG 5 -12.408 4.735 17.184 46 H GLU 6 H GLU 6 -9.806 4.181 9.669 47 HA GLU 6 HA GLU 6 -9.184 1.416 9.367 48 HB2 GLU 6 2HB GLU 6 -11.031 3.311 7.925 49 HB3 GLU 6 1HB GLU 6 -10.793 1.666 7.353 50 HG2 GLU 6 2HG GLU 6 -12.795 2.056 8.839 51 HG3 GLU 6 1HG GLU 6 -11.723 0.734 9.302 52 H LEU 7 H LEU 7 -8.370 4.330 7.637 53 HA LEU 7 HA LEU 7 -7.173 3.078 5.401 54 HB2 LEU 7 2HB LEU 7 -6.962 5.812 6.640 55 HB3 LEU 7 1HB LEU 7 -6.023 5.366 5.241 56 HG LEU 7 HG LEU 7 -8.191 4.873 4.047 57 HD11 LEU 7 1HD1 LEU 7 -9.611 4.592 6.007 58 HD12 LEU 7 2HD1 LEU 7 -10.229 5.859 4.948 59 HD13 LEU 7 3HD1 LEU 7 -9.375 6.290 6.431 60 HD21 LEU 7 3HD2 LEU 7 -8.684 7.229 3.605 61 HD22 LEU 7 1HD2 LEU 7 -6.947 6.922 3.649 62 HD23 LEU 7 2HD2 LEU 7 -7.741 7.690 5.024 63 H LEU 8 H LEU 8 -5.991 4.295 8.494 64 HA LEU 8 HA LEU 8 -3.255 3.864 8.135 65 HB2 LEU 8 2HB LEU 8 -4.274 5.151 9.977 66 HB3 LEU 8 1HB LEU 8 -4.874 3.664 10.673 67 HG LEU 8 HG LEU 8 -2.569 2.900 11.045 68 HD11 LEU 8 1HD1 LEU 8 -1.795 5.611 9.978 69 HD12 LEU 8 2HD1 LEU 8 -1.484 4.058 9.200 70 HD13 LEU 8 3HD1 LEU 8 -0.703 4.449 10.733 71 HD21 LEU 8 3HD2 LEU 8 -3.725 4.096 12.810 72 HD22 LEU 8 1HD2 LEU 8 -3.176 5.636 12.152 73 HD23 LEU 8 2HD2 LEU 8 -2.006 4.496 12.818 74 H LYS 9 H LYS 9 -5.685 1.740 9.646 75 HA LYS 9 HA LYS 9 -3.915 -0.384 10.163 76 HB2 LYS 9 2HB LYS 9 -5.927 -1.816 10.364 77 HB3 LYS 9 1HB LYS 9 -6.059 -0.324 11.283 78 HG2 LYS 9 2HG LYS 9 -7.596 0.597 9.768 79 HG3 LYS 9 1HG LYS 9 -7.231 -0.611 8.538 80 HD2 LYS 9 2HD LYS 9 -9.393 -1.030 9.612 81 HD3 LYS 9 1HD LYS 9 -8.254 -2.344 9.905 82 HE2 LYS 9 2HE LYS 9 -9.483 -1.820 11.930 83 HE3 LYS 9 1HE LYS 9 -7.776 -1.425 12.124 84 HZ1 LYS 9 3HZ LYS 9 -9.980 0.496 11.582 85 HZ2 LYS 9 1HZ LYS 9 -8.336 0.903 11.665 86 HZ3 LYS 9 2HZ LYS 9 -9.132 0.315 13.038 87 H ALA 10 H ALA 10 -5.808 0.416 7.291 88 HA ALA 10 HA ALA 10 -5.390 -1.997 5.893 89 HB1 ALA 10 1HB ALA 10 -5.778 0.785 4.788 90 HB2 ALA 10 2HB ALA 10 -7.063 -0.344 5.221 91 HB3 ALA 10 3HB ALA 10 -5.967 -0.722 3.891 92 H GLU 11 H GLU 11 -3.599 1.064 5.915 93 HA GLU 11 HA GLU 11 -1.592 0.360 4.096 94 HB2 GLU 11 2HB GLU 11 -1.604 2.276 6.429 95 HB3 GLU 11 1HB GLU 11 -0.241 2.127 5.325 96 HG2 GLU 11 2HG GLU 11 -3.021 2.737 4.376 97 HG3 GLU 11 1HG GLU 11 -1.887 3.992 4.875 98 H GLN 12 H GLN 12 -1.727 0.032 7.619 99 HA GLN 12 HA GLN 12 0.847 -1.116 7.897 100 HB2 GLN 12 2HB GLN 12 -1.585 -1.200 9.678 101 HB3 GLN 12 1HB GLN 12 -0.024 -1.857 10.138 102 HG2 GLN 12 2HG GLN 12 0.933 0.435 9.734 103 HG3 GLN 12 1HG GLN 12 -0.726 1.008 9.588 104 HE21 GLN 12 1HE2 GLN 12 -0.564 2.323 11.376 105 HE22 GLN 12 2HE2 GLN 12 -0.490 1.705 12.991 106 H GLN 13 H GLN 13 -2.307 -2.425 7.183 107 HA GLN 13 HA GLN 13 -1.728 -5.152 7.616 108 HB2 GLN 13 2HB GLN 13 -4.014 -4.212 7.336 109 HB3 GLN 13 1HB GLN 13 -3.662 -3.938 5.639 110 HG2 GLN 13 2HG GLN 13 -4.997 -5.941 5.963 111 HG3 GLN 13 1HG GLN 13 -3.417 -6.327 5.282 112 HE21 GLN 13 1HE2 GLN 13 -1.943 -7.473 6.500 113 HE22 GLN 13 2HE2 GLN 13 -2.381 -8.296 7.959 114 H GLY 14 H GLY 14 -1.489 -3.065 4.788 115 HA2 GLY 14 2HA GLY 14 -0.540 -5.016 2.984 116 HA3 GLY 14 1HA GLY 14 -0.281 -3.286 2.838 117 H ILE 15 H ILE 15 1.203 -2.772 5.124 118 HA ILE 15 HA ILE 15 3.802 -3.518 4.419 119 HB ILE 15 HB ILE 15 2.769 -2.619 7.115 120 HG12 ILE 15 2HG1 ILE 15 4.061 -1.069 4.858 121 HG13 ILE 15 1HG1 ILE 15 2.356 -1.019 5.293 122 HG21 ILE 15 1HG2 ILE 15 5.598 -2.708 6.078 123 HG22 ILE 15 2HG2 ILE 15 4.921 -3.716 7.358 124 HG23 ILE 15 3HG2 ILE 15 5.086 -1.976 7.598 125 HD11 ILE 15 3HD1 ILE 15 3.513 0.928 6.129 126 HD12 ILE 15 1HD1 ILE 15 4.654 -0.094 7.001 127 HD13 ILE 15 2HD1 ILE 15 2.955 -0.070 7.469 128 H LYS 16 H LYS 16 1.575 -4.889 6.788 129 HA LYS 16 HA LYS 16 3.228 -6.861 7.891 130 HB2 LYS 16 2HB LYS 16 0.888 -6.111 8.603 131 HB3 LYS 16 1HB LYS 16 0.277 -7.175 7.353 132 HG2 LYS 16 2HG LYS 16 2.111 -8.226 9.464 133 HG3 LYS 16 1HG LYS 16 0.392 -8.016 9.785 134 HD2 LYS 16 2HD LYS 16 -0.060 -9.416 7.753 135 HD3 LYS 16 1HD LYS 16 1.672 -9.746 7.674 136 HE2 LYS 16 2HE LYS 16 0.538 -11.559 8.801 137 HE3 LYS 16 1HE LYS 16 1.572 -10.701 9.939 138 HZ1 LYS 16 3HZ LYS 16 -1.369 -10.366 9.665 139 HZ2 LYS 16 1HZ LYS 16 -0.383 -9.515 10.751 140 HZ3 LYS 16 2HZ LYS 16 -0.577 -11.192 10.917 141 H ILE 17 H ILE 17 1.030 -6.971 5.118 142 HA ILE 17 HA ILE 17 1.588 -9.610 4.297 143 HB ILE 17 HB ILE 17 0.714 -7.220 2.642 144 HG12 ILE 17 2HG1 ILE 17 -0.887 -9.503 3.825 145 HG13 ILE 17 1HG1 ILE 17 -0.816 -7.871 4.480 146 HG21 ILE 17 1HG2 ILE 17 1.675 -8.907 1.187 147 HG22 ILE 17 2HG2 ILE 17 -0.079 -8.901 1.004 148 HG23 ILE 17 3HG2 ILE 17 0.705 -10.163 1.954 149 HD11 ILE 17 3HD1 ILE 17 -1.853 -7.000 2.469 150 HD12 ILE 17 1HD1 ILE 17 -2.854 -8.255 3.198 151 HD13 ILE 17 2HD1 ILE 17 -1.886 -8.618 1.770 152 H LEU 18 H LEU 18 3.083 -6.512 3.369 153 HA LEU 18 HA LEU 18 4.822 -7.497 1.423 154 HB2 LEU 18 2HB LEU 18 5.153 -5.174 3.312 155 HB3 LEU 18 1HB LEU 18 6.216 -5.488 1.953 156 HG LEU 18 HG LEU 18 3.251 -4.956 1.715 157 HD11 LEU 18 1HD1 LEU 18 5.603 -3.131 1.232 158 HD12 LEU 18 2HD1 LEU 18 4.390 -2.972 2.504 159 HD13 LEU 18 3HD1 LEU 18 3.927 -2.774 0.816 160 HD21 LEU 18 3HD2 LEU 18 3.728 -4.710 -0.666 161 HD22 LEU 18 1HD2 LEU 18 4.151 -6.324 -0.093 162 HD23 LEU 18 2HD2 LEU 18 5.417 -5.128 -0.377 163 H LYS 19 H LYS 19 5.317 -7.149 4.923 164 HA LYS 19 HA LYS 19 7.932 -8.148 5.010 165 HB2 LYS 19 2HB LYS 19 5.699 -7.976 7.004 166 HB3 LYS 19 1HB LYS 19 7.245 -8.687 7.412 167 HG2 LYS 19 2HG LYS 19 7.497 -6.097 6.125 168 HG3 LYS 19 1HG LYS 19 6.589 -6.047 7.628 169 HD2 LYS 19 2HD LYS 19 8.942 -5.654 8.067 170 HD3 LYS 19 1HD LYS 19 8.438 -7.186 8.779 171 HE2 LYS 19 2HE LYS 19 9.432 -8.404 6.934 172 HE3 LYS 19 1HE LYS 19 9.852 -6.894 6.127 173 HZ1 LYS 19 3HZ LYS 19 11.283 -6.362 8.046 174 HZ2 LYS 19 1HZ LYS 19 11.776 -7.769 7.241 175 HZ3 LYS 19 2HZ LYS 19 10.943 -7.877 8.714 176 H GLU 20 H GLU 20 4.776 -9.691 5.167 177 HA GLU 20 HA GLU 20 5.566 -12.302 5.759 178 HB2 GLU 20 2HB GLU 20 3.207 -10.878 4.724 179 HB3 GLU 20 1HB GLU 20 3.297 -12.562 4.278 180 HG2 GLU 20 2HG GLU 20 3.367 -11.460 7.069 181 HG3 GLU 20 1HG GLU 20 1.994 -12.252 6.300 182 H VAL 21 H VAL 21 5.002 -10.658 2.666 183 HA VAL 21 HA VAL 21 5.546 -12.888 1.015 184 HB VAL 21 HB VAL 21 5.851 -9.961 0.311 185 HG11 VAL 21 1HG1 VAL 21 5.459 -12.400 -1.418 186 HG12 VAL 21 2HG1 VAL 21 6.908 -11.396 -1.322 187 HG13 VAL 21 3HG1 VAL 21 5.416 -10.731 -1.992 188 HG21 VAL 21 3HG2 VAL 21 3.449 -11.767 0.110 189 HG22 VAL 21 1HG2 VAL 21 3.559 -10.147 -0.578 190 HG23 VAL 21 2HG2 VAL 21 3.630 -10.371 1.168 191 H LEU 22 H LEU 22 7.599 -10.300 2.279 192 HA LEU 22 HA LEU 22 9.913 -10.895 0.805 193 HB2 LEU 22 2HB LEU 22 9.499 -8.844 2.190 194 HB3 LEU 22 1HB LEU 22 9.798 -9.811 3.620 195 HG LEU 22 HG LEU 22 12.098 -10.252 2.821 196 HD11 LEU 22 1HD1 LEU 22 11.712 -10.026 0.427 197 HD12 LEU 22 2HD1 LEU 22 12.988 -8.934 0.957 198 HD13 LEU 22 3HD1 LEU 22 11.374 -8.307 0.629 199 HD21 LEU 22 3HD2 LEU 22 11.359 -7.331 2.988 200 HD22 LEU 22 1HD2 LEU 22 12.971 -8.007 3.239 201 HD23 LEU 22 2HD2 LEU 22 11.663 -8.405 4.356 202 H LYS 23 H LYS 23 8.690 -12.160 3.857 203 HA LYS 23 HA LYS 23 10.885 -13.855 4.453 204 HB2 LYS 23 2HB LYS 23 9.011 -13.150 6.011 205 HB3 LYS 23 1HB LYS 23 7.985 -14.294 5.186 206 HG2 LYS 23 2HG LYS 23 10.554 -15.200 6.425 207 HG3 LYS 23 1HG LYS 23 9.098 -14.993 7.402 208 HD2 LYS 23 2HD LYS 23 7.900 -16.530 5.877 209 HD3 LYS 23 1HD LYS 23 9.401 -16.775 4.984 210 HE2 LYS 23 2HE LYS 23 9.005 -17.410 7.905 211 HE3 LYS 23 1HE LYS 23 8.920 -18.588 6.597 212 HZ1 LYS 23 3HZ LYS 23 11.306 -16.971 7.326 213 HZ2 LYS 23 1HZ LYS 23 11.229 -18.088 6.053 214 HZ3 LYS 23 2HZ LYS 23 11.084 -18.615 7.657 215 H LYS 24 H LYS 24 7.765 -14.401 2.942 216 HA LYS 24 HA LYS 24 8.168 -17.135 2.394 217 HB2 LYS 24 2HB LYS 24 6.213 -15.103 1.404 218 HB3 LYS 24 1HB LYS 24 6.244 -16.722 0.712 219 HG2 LYS 24 2HG LYS 24 6.010 -17.646 3.004 220 HG3 LYS 24 1HG LYS 24 5.815 -16.000 3.602 221 HD2 LYS 24 2HD LYS 24 3.748 -15.740 2.583 222 HD3 LYS 24 1HD LYS 24 4.051 -17.035 1.418 223 HE2 LYS 24 2HE LYS 24 3.695 -17.437 4.385 224 HE3 LYS 24 1HE LYS 24 2.418 -17.653 3.185 225 HZ1 LYS 24 3HZ LYS 24 4.994 -19.127 3.043 226 HZ2 LYS 24 1HZ LYS 24 3.548 -19.460 2.221 227 HZ3 LYS 24 2HZ LYS 24 3.655 -19.722 3.896 228 H ALA 25 H ALA 25 9.157 -14.311 0.631 229 HA ALA 25 HA ALA 25 9.744 -15.519 -1.839 230 HB1 ALA 25 1HB ALA 25 11.343 -13.703 -2.161 231 HB2 ALA 25 2HB ALA 25 11.260 -13.307 -0.445 232 HB3 ALA 25 3HB ALA 25 9.842 -13.091 -1.470 233 H LYS 26 H LYS 26 11.323 -15.597 1.259 234 HA LYS 26 HA LYS 26 13.738 -16.829 0.342 235 HB2 LYS 26 2HB LYS 26 12.529 -16.326 3.042 236 HB3 LYS 26 1HB LYS 26 13.957 -17.341 2.871 237 HG2 LYS 26 2HG LYS 26 13.770 -14.510 1.862 238 HG3 LYS 26 1HG LYS 26 14.446 -14.969 3.428 239 HD2 LYS 26 2HD LYS 26 16.149 -16.296 2.357 240 HD3 LYS 26 1HD LYS 26 15.426 -16.014 0.774 241 HE2 LYS 26 2HE LYS 26 15.968 -13.672 0.889 242 HE3 LYS 26 1HE LYS 26 16.542 -13.846 2.547 243 HZ1 LYS 26 3HZ LYS 26 17.744 -15.244 0.217 244 HZ2 LYS 26 1HZ LYS 26 18.337 -15.212 1.803 245 HZ3 LYS 26 2HZ LYS 26 18.344 -13.796 0.864 246 H GLU 27 H GLU 27 10.605 -17.955 1.372 247 HA GLU 27 HA GLU 27 11.278 -20.623 1.966 248 HB2 GLU 27 2HB GLU 27 8.671 -19.578 0.835 249 HB3 GLU 27 1HB GLU 27 8.904 -21.127 1.636 250 HG2 GLU 27 2HG GLU 27 9.640 -19.802 3.668 251 HG3 GLU 27 1HG GLU 27 9.019 -18.377 2.836 252 H GLY 28 H GLY 28 10.342 -19.036 -1.072 253 HA2 GLY 28 2HA GLY 28 11.602 -19.481 -3.037 254 HA3 GLY 28 1HA GLY 28 11.961 -21.079 -2.415 255 H ASP 29 H ASP 29 8.650 -19.995 -2.320 256 HA ASP 29 HA ASP 29 8.082 -21.875 -4.508 257 HB2 ASP 29 2HB ASP 29 6.948 -22.233 -2.302 258 HB3 ASP 29 1HB ASP 29 6.103 -20.707 -2.541 259 H GLU 30 H GLU 30 7.569 -21.127 -6.422 260 HA GLU 30 HA GLU 30 7.465 -18.331 -6.933 261 HB2 GLU 30 2HB GLU 30 6.936 -20.690 -8.744 262 HB3 GLU 30 1HB GLU 30 7.048 -19.023 -9.292 263 HG2 GLU 30 2HG GLU 30 9.344 -18.896 -8.637 264 HG3 GLU 30 1HG GLU 30 9.258 -20.477 -7.864 265 H GLN 31 H GLN 31 5.029 -20.862 -6.754 266 HA GLN 31 HA GLN 31 2.930 -19.282 -7.857 267 HB2 GLN 31 2HB GLN 31 2.894 -21.798 -6.191 268 HB3 GLN 31 1HB GLN 31 1.443 -21.039 -6.823 269 HG2 GLN 31 2HG GLN 31 1.890 -22.690 -8.369 270 HG3 GLN 31 1HG GLN 31 2.584 -21.254 -9.117 271 HE21 GLN 31 1HE2 GLN 31 3.236 -24.263 -7.524 272 HE22 GLN 31 2HE2 GLN 31 4.909 -24.376 -7.965 273 H GLU 32 H GLU 32 4.148 -19.913 -4.641 274 HA GLU 32 HA GLU 32 2.188 -18.619 -3.126 275 HB2 GLU 32 2HB GLU 32 4.045 -19.947 -2.170 276 HB3 GLU 32 1HB GLU 32 5.179 -18.693 -2.647 277 HG2 GLU 32 2HG GLU 32 4.762 -18.427 -0.337 278 HG3 GLU 32 1HG GLU 32 3.923 -17.116 -1.166 279 H LEU 33 H LEU 33 5.078 -17.338 -4.728 280 HA LEU 33 HA LEU 33 4.855 -14.684 -3.891 281 HB2 LEU 33 2HB LEU 33 5.960 -15.780 -6.474 282 HB3 LEU 33 1HB LEU 33 6.201 -14.141 -5.904 283 HG LEU 33 HG LEU 33 7.200 -16.647 -4.543 284 HD11 LEU 33 1HD1 LEU 33 8.650 -14.482 -6.060 285 HD12 LEU 33 2HD1 LEU 33 8.425 -16.155 -6.579 286 HD13 LEU 33 3HD1 LEU 33 9.419 -15.794 -5.165 287 HD21 LEU 33 3HD2 LEU 33 7.615 -13.743 -3.839 288 HD22 LEU 33 1HD2 LEU 33 8.372 -15.122 -3.040 289 HD23 LEU 33 2HD2 LEU 33 6.626 -14.894 -2.937 290 H ALA 34 H ALA 34 3.488 -16.306 -6.733 291 HA ALA 34 HA ALA 34 2.300 -14.014 -7.873 292 HB1 ALA 34 1HB ALA 34 0.982 -15.575 -9.201 293 HB2 ALA 34 2HB ALA 34 1.467 -16.901 -8.145 294 HB3 ALA 34 3HB ALA 34 2.673 -16.072 -9.132 295 H ARG 35 H ARG 35 1.097 -16.442 -5.613 296 HA ARG 35 HA ARG 35 -1.564 -15.492 -5.439 297 HB2 ARG 35 2HB ARG 35 -0.878 -17.735 -4.725 298 HB3 ARG 35 1HB ARG 35 0.103 -17.044 -3.450 299 HG2 ARG 35 2HG ARG 35 -1.812 -16.295 -2.263 300 HG3 ARG 35 1HG ARG 35 -2.876 -16.687 -3.616 301 HD2 ARG 35 2HD ARG 35 -2.927 -18.344 -1.750 302 HD3 ARG 35 1HD ARG 35 -2.508 -19.029 -3.319 303 HE ARG 35 HE ARG 35 -0.301 -18.283 -1.552 304 HH11 ARG 35 1HH1 ARG 35 -2.319 -20.836 -2.877 305 HH12 ARG 35 2HH1 ARG 35 -1.176 -22.095 -2.497 306 HH21 ARG 35 1HH2 ARG 35 1.166 -19.944 -1.038 307 HH22 ARG 35 2HH2 ARG 35 0.785 -21.591 -1.453 308 H LEU 36 H LEU 36 1.344 -14.885 -3.552 309 HA LEU 36 HA LEU 36 0.178 -13.138 -1.659 310 HB2 LEU 36 2HB LEU 36 3.001 -13.476 -2.639 311 HB3 LEU 36 1HB LEU 36 2.571 -12.349 -1.368 312 HG LEU 36 HG LEU 36 2.110 -15.329 -1.238 313 HD11 LEU 36 1HD1 LEU 36 4.254 -13.630 0.021 314 HD12 LEU 36 2HD1 LEU 36 4.483 -14.812 -1.266 315 HD13 LEU 36 3HD1 LEU 36 3.978 -15.343 0.339 316 HD21 LEU 36 3HD2 LEU 36 1.908 -13.183 0.874 317 HD22 LEU 36 1HD2 LEU 36 1.668 -14.914 1.119 318 HD23 LEU 36 2HD2 LEU 36 0.549 -14.003 0.105 319 H ASN 37 H ASN 37 1.693 -12.587 -4.801 320 HA ASN 37 HA ASN 37 1.802 -9.788 -4.704 321 HB2 ASN 37 2HB ASN 37 2.845 -11.315 -6.453 322 HB3 ASN 37 1HB ASN 37 1.255 -11.389 -7.206 323 HD21 ASN 37 1HD2 ASN 37 1.856 -10.351 -9.074 324 HD22 ASN 37 2HD2 ASN 37 2.271 -8.677 -9.127 325 H GLN 38 H GLN 38 -0.768 -11.984 -5.752 326 HA GLN 38 HA GLN 38 -2.612 -10.048 -6.575 327 HB2 GLN 38 2HB GLN 38 -2.613 -12.910 -5.859 328 HB3 GLN 38 1HB GLN 38 -4.151 -12.091 -5.736 329 HG2 GLN 38 2HG GLN 38 -2.426 -12.129 -8.191 330 HG3 GLN 38 1HG GLN 38 -3.809 -13.189 -7.912 331 HE21 GLN 38 1HE2 GLN 38 -5.874 -12.350 -7.991 332 HE22 GLN 38 2HE2 GLN 38 -6.224 -10.797 -8.682 333 H GLU 39 H GLU 39 -1.881 -11.474 -3.449 334 HA GLU 39 HA GLU 39 -4.063 -10.475 -1.988 335 HB2 GLU 39 2HB GLU 39 -2.223 -12.184 -1.320 336 HB3 GLU 39 1HB GLU 39 -1.300 -10.769 -0.834 337 HG2 GLU 39 2HG GLU 39 -2.354 -11.585 1.107 338 HG3 GLU 39 1HG GLU 39 -3.243 -10.138 0.629 339 H ILE 40 H ILE 40 -0.881 -9.137 -2.726 340 HA ILE 40 HA ILE 40 -1.092 -6.756 -1.241 341 HB ILE 40 HB ILE 40 0.459 -7.227 -3.793 342 HG12 ILE 40 2HG1 ILE 40 1.344 -7.495 -0.910 343 HG13 ILE 40 1HG1 ILE 40 0.989 -8.839 -1.989 344 HG21 ILE 40 1HG2 ILE 40 0.228 -4.861 -3.302 345 HG22 ILE 40 2HG2 ILE 40 1.889 -5.387 -3.016 346 HG23 ILE 40 3HG2 ILE 40 0.799 -5.126 -1.653 347 HD11 ILE 40 3HD1 ILE 40 3.180 -6.813 -2.354 348 HD12 ILE 40 1HD1 ILE 40 2.822 -8.151 -3.443 349 HD13 ILE 40 2HD1 ILE 40 3.374 -8.478 -1.802 350 H VAL 41 H VAL 41 -1.830 -7.476 -4.642 351 HA VAL 41 HA VAL 41 -2.630 -4.930 -5.446 352 HB VAL 41 HB VAL 41 -3.682 -7.595 -6.417 353 HG11 VAL 41 1HG1 VAL 41 -4.266 -6.387 -8.478 354 HG12 VAL 41 2HG1 VAL 41 -3.799 -4.870 -7.710 355 HG13 VAL 41 3HG1 VAL 41 -5.167 -5.790 -7.083 356 HG21 VAL 41 3HG2 VAL 41 -2.035 -7.315 -8.218 357 HG22 VAL 41 1HG2 VAL 41 -1.270 -7.419 -6.632 358 HG23 VAL 41 2HG2 VAL 41 -1.436 -5.855 -7.430 359 H LYS 42 H LYS 42 -4.507 -7.538 -3.953 360 HA LYS 42 HA LYS 42 -7.047 -6.389 -4.074 361 HB2 LYS 42 2HB LYS 42 -5.835 -8.168 -1.953 362 HB3 LYS 42 1HB LYS 42 -7.547 -7.791 -2.068 363 HG2 LYS 42 2HG LYS 42 -7.787 -8.988 -4.072 364 HG3 LYS 42 1HG LYS 42 -6.043 -9.063 -4.331 365 HD2 LYS 42 2HD LYS 42 -6.894 -11.211 -3.568 366 HD3 LYS 42 1HD LYS 42 -5.812 -10.503 -2.370 367 HE2 LYS 42 2HE LYS 42 -7.870 -9.630 -1.200 368 HE3 LYS 42 1HE LYS 42 -8.821 -10.620 -2.307 369 HZ1 LYS 42 3HZ LYS 42 -6.810 -11.579 -0.339 370 HZ2 LYS 42 1HZ LYS 42 -7.554 -12.569 -1.498 371 HZ3 LYS 42 2HZ LYS 42 -8.486 -11.834 -0.298 372 H ALA 43 H ALA 43 -4.532 -6.059 -1.583 373 HA ALA 43 HA ALA 43 -6.100 -4.470 0.172 374 HB1 ALA 43 1HB ALA 43 -4.033 -4.074 1.376 375 HB2 ALA 43 2HB ALA 43 -3.094 -4.674 0.012 376 HB3 ALA 43 3HB ALA 43 -4.143 -5.770 0.909 377 H GLU 44 H GLU 44 -3.591 -3.658 -2.203 378 HA GLU 44 HA GLU 44 -3.588 -0.887 -1.760 379 HB2 GLU 44 2HB GLU 44 -2.897 -2.494 -4.223 380 HB3 GLU 44 1HB GLU 44 -2.593 -0.770 -4.063 381 HG2 GLU 44 2HG GLU 44 -1.472 -2.849 -2.202 382 HG3 GLU 44 1HG GLU 44 -0.628 -2.233 -3.624 383 H LYS 45 H LYS 45 -5.407 -2.876 -4.071 384 HA LYS 45 HA LYS 45 -6.692 -0.784 -5.436 385 HB2 LYS 45 2HB LYS 45 -6.561 -3.288 -6.021 386 HB3 LYS 45 1HB LYS 45 -7.919 -3.495 -4.929 387 HG2 LYS 45 2HG LYS 45 -8.008 -1.605 -7.259 388 HG3 LYS 45 1HG LYS 45 -8.433 -3.309 -7.401 389 HD2 LYS 45 2HD LYS 45 -10.153 -2.997 -5.660 390 HD3 LYS 45 1HD LYS 45 -9.746 -1.279 -5.592 391 HE2 LYS 45 2HE LYS 45 -11.689 -1.562 -6.979 392 HE3 LYS 45 1HE LYS 45 -10.326 -1.098 -7.996 393 HZ1 LYS 45 3HZ LYS 45 -11.576 -2.864 -9.031 394 HZ2 LYS 45 1HZ LYS 45 -11.405 -3.849 -7.658 395 HZ3 LYS 45 2HZ LYS 45 -10.046 -3.447 -8.592 396 H GLN 46 H GLN 46 -7.683 -2.696 -2.620 397 HA GLN 46 HA GLN 46 -10.157 -1.445 -2.173 398 HB2 GLN 46 2HB GLN 46 -9.385 -3.556 -1.090 399 HB3 GLN 46 1HB GLN 46 -8.285 -2.612 -0.107 400 HG2 GLN 46 2HG GLN 46 -10.322 -3.216 1.105 401 HG3 GLN 46 1HG GLN 46 -10.130 -1.469 0.948 402 HE21 GLN 46 1HE2 GLN 46 -11.551 -0.316 -0.347 403 HE22 GLN 46 2HE2 GLN 46 -13.036 -0.993 -0.924 404 H GLY 47 H GLY 47 -6.907 -0.739 -0.990 405 HA2 GLY 47 2HA GLY 47 -7.515 1.369 0.741 406 HA3 GLY 47 1HA GLY 47 -5.985 1.160 -0.097 407 H VAL 48 H VAL 48 -6.710 1.481 -2.728 408 HA VAL 48 HA VAL 48 -6.793 4.252 -3.046 409 HB VAL 48 HB VAL 48 -7.565 2.116 -5.048 410 HG11 VAL 48 1HG1 VAL 48 -6.886 5.020 -5.490 411 HG12 VAL 48 2HG1 VAL 48 -8.460 4.267 -5.733 412 HG13 VAL 48 3HG1 VAL 48 -7.100 3.818 -6.762 413 HG21 VAL 48 3HG2 VAL 48 -4.961 3.565 -4.590 414 HG22 VAL 48 1HG2 VAL 48 -5.290 2.450 -5.915 415 HG23 VAL 48 2HG2 VAL 48 -5.288 1.864 -4.253 416 H LYS 49 H LYS 49 -9.409 1.868 -3.256 417 HA LYS 49 HA LYS 49 -11.463 3.616 -4.022 418 HB2 LYS 49 2HB LYS 49 -11.234 0.908 -3.362 419 HB3 LYS 49 1HB LYS 49 -12.386 1.550 -2.208 420 HG2 LYS 49 2HG LYS 49 -12.606 1.835 -5.192 421 HG3 LYS 49 1HG LYS 49 -13.410 0.590 -4.241 422 HD2 LYS 49 2HD LYS 49 -15.089 2.110 -4.345 423 HD3 LYS 49 1HD LYS 49 -14.281 2.706 -2.901 424 HE2 LYS 49 2HE LYS 49 -13.090 4.367 -4.235 425 HE3 LYS 49 1HE LYS 49 -13.858 3.752 -5.699 426 HZ1 LYS 49 3HZ LYS 49 -15.208 5.063 -3.397 427 HZ2 LYS 49 1HZ LYS 49 -16.024 4.357 -4.709 428 HZ3 LYS 49 2HZ LYS 49 -15.019 5.695 -4.959 429 H VAL 50 H VAL 50 -10.287 2.681 -0.810 430 HA VAL 50 HA VAL 50 -12.274 4.136 0.621 431 HB VAL 50 HB VAL 50 -9.570 3.203 1.604 432 HG11 VAL 50 1HG1 VAL 50 -10.625 3.283 3.827 433 HG12 VAL 50 2HG1 VAL 50 -12.075 3.973 3.096 434 HG13 VAL 50 3HG1 VAL 50 -10.560 4.873 3.062 435 HG21 VAL 50 3HG2 VAL 50 -10.847 1.336 0.730 436 HG22 VAL 50 1HG2 VAL 50 -12.256 1.831 1.667 437 HG23 VAL 50 2HG2 VAL 50 -10.804 1.263 2.490 438 H TYR 51 H TYR 51 -8.932 4.850 -0.362 439 HA TYR 51 HA TYR 51 -8.789 7.380 0.884 440 HB2 TYR 51 2HB TYR 51 -7.255 6.037 -1.297 441 HB3 TYR 51 1HB TYR 51 -7.059 7.771 -1.075 442 HD1 TYR 51 1HD TYR 51 -6.038 8.663 0.950 443 HD2 TYR 51 2HD TYR 51 -6.408 4.466 0.357 444 HE1 TYR 51 1HE TYR 51 -4.421 8.270 2.758 445 HE2 TYR 51 2HE TYR 51 -4.786 4.063 2.164 446 HH TYR 51 HH TYR 51 -2.952 5.270 3.300 447 H LYS 52 H LYS 52 -10.024 6.339 -2.243 448 HA LYS 52 HA LYS 52 -10.556 8.838 -3.385 449 HB2 LYS 52 2HB LYS 52 -10.922 6.314 -4.203 450 HB3 LYS 52 1HB LYS 52 -12.562 6.647 -3.676 451 HG2 LYS 52 2HG LYS 52 -11.032 8.255 -5.714 452 HG3 LYS 52 1HG LYS 52 -12.236 7.021 -6.076 453 HD2 LYS 52 2HD LYS 52 -13.879 8.397 -4.746 454 HD3 LYS 52 1HD LYS 52 -12.660 9.672 -4.710 455 HE2 LYS 52 2HE LYS 52 -12.626 9.643 -7.187 456 HE3 LYS 52 1HE LYS 52 -13.924 8.451 -7.159 457 HZ1 LYS 52 3HZ LYS 52 -15.118 10.228 -5.731 458 HZ2 LYS 52 1HZ LYS 52 -15.064 10.416 -7.419 459 HZ3 LYS 52 2HZ LYS 52 -14.007 11.304 -6.437 460 H GLU 53 H GLU 53 -12.507 6.823 -1.200 461 HA GLU 53 HA GLU 53 -14.675 8.574 -0.878 462 HB2 GLU 53 2HB GLU 53 -13.613 6.191 0.468 463 HB3 GLU 53 1HB GLU 53 -14.514 7.266 1.525 464 HG2 GLU 53 2HG GLU 53 -15.961 5.564 0.624 465 HG3 GLU 53 1HG GLU 53 -16.426 7.148 0.016 466 H ALA 54 H ALA 54 -11.584 8.338 0.785 467 HA ALA 54 HA ALA 54 -12.169 10.235 2.812 468 HB1 ALA 54 1HB ALA 54 -10.387 8.573 3.050 469 HB2 ALA 54 2HB ALA 54 -9.776 10.215 3.265 470 HB3 ALA 54 3HB ALA 54 -9.485 9.357 1.751 471 H ALA 55 H ALA 55 -10.820 10.473 -0.420 472 HA ALA 55 HA ALA 55 -9.949 13.159 -0.265 473 HB1 ALA 55 1HB ALA 55 -9.871 13.086 -2.696 474 HB2 ALA 55 2HB ALA 55 -10.819 11.599 -2.696 475 HB3 ALA 55 3HB ALA 55 -9.195 11.608 -2.008 476 H GLU 56 H GLU 56 -13.048 11.698 -1.095 477 HA GLU 56 HA GLU 56 -14.227 14.239 -1.762 478 HB2 GLU 56 2HB GLU 56 -15.411 11.496 -1.333 479 HB3 GLU 56 1HB GLU 56 -16.379 12.911 -1.730 480 HG2 GLU 56 2HG GLU 56 -15.118 13.198 -3.799 481 HG3 GLU 56 1HG GLU 56 -14.160 11.772 -3.410 482 H LYS 57 H LYS 57 -13.352 12.743 1.056 483 HA LYS 57 HA LYS 57 -15.216 14.358 2.657 484 HB2 LYS 57 2HB LYS 57 -13.697 11.855 3.188 485 HB3 LYS 57 1HB LYS 57 -13.986 12.940 4.535 486 HG2 LYS 57 2HG LYS 57 -16.395 12.800 4.123 487 HG3 LYS 57 1HG LYS 57 -16.090 11.689 2.784 488 HD2 LYS 57 2HD LYS 57 -15.150 10.059 4.270 489 HD3 LYS 57 1HD LYS 57 -15.213 11.184 5.623 490 HE2 LYS 57 2HE LYS 57 -17.636 10.171 4.143 491 HE3 LYS 57 1HE LYS 57 -17.011 9.455 5.626 492 HZ1 LYS 57 3HZ LYS 57 -18.761 10.935 6.199 493 HZ2 LYS 57 1HZ LYS 57 -18.100 12.195 5.281 494 HZ3 LYS 57 2HZ LYS 57 -17.315 11.666 6.689 495 H ALA 58 H ALA 58 -12.818 15.267 1.134 496 HA ALA 58 HA ALA 58 -10.791 15.868 3.053 497 HB1 ALA 58 1HB ALA 58 -10.286 15.728 0.658 498 HB2 ALA 58 2HB ALA 58 -9.822 17.290 1.337 499 HB3 ALA 58 3HB ALA 58 -11.291 17.150 0.371 500 H ARG 59 H ARG 59 -11.799 16.849 4.793 501 HA ARG 59 HA ARG 59 -13.348 19.242 4.578 502 HB2 ARG 59 2HB ARG 59 -12.725 17.364 6.547 503 HB3 ARG 59 1HB ARG 59 -11.997 18.854 7.122 504 HG2 ARG 59 2HG ARG 59 -14.115 19.970 7.092 505 HG3 ARG 59 1HG ARG 59 -14.885 18.578 6.317 506 HD2 ARG 59 2HD ARG 59 -14.338 17.206 8.276 507 HD3 ARG 59 1HD ARG 59 -13.603 18.609 9.046 508 HE ARG 59 HE ARG 59 -16.117 19.457 8.530 509 HH11 ARG 59 1HH1 ARG 59 -14.891 16.529 9.982 510 HH12 ARG 59 2HH1 ARG 59 -16.175 16.414 11.148 511 HH21 ARG 59 1HH2 ARG 59 -17.827 19.312 10.063 512 HH22 ARG 59 2HH2 ARG 59 -17.853 17.976 11.179 513 H ASN 60 H ASN 60 -10.083 18.580 4.266 514 HA ASN 60 HA ASN 60 -9.352 21.391 4.709 515 HB2 ASN 60 2HB ASN 60 -7.864 18.909 5.548 516 HB3 ASN 60 1HB ASN 60 -7.055 20.459 5.351 517 HD21 ASN 60 1HD2 ASN 60 -9.356 18.644 7.230 518 HD22 ASN 60 2HD2 ASN 60 -9.381 19.709 8.591 519 HA PRO 61 HA PRO 61 -8.228 20.870 0.445 520 HB2 PRO 61 2HB PRO 61 -7.052 23.304 0.093 521 HB3 PRO 61 1HB PRO 61 -8.801 23.057 0.130 522 HG2 PRO 61 2HG PRO 61 -6.975 24.026 2.289 523 HG3 PRO 61 1HG PRO 61 -8.593 24.602 1.847 524 HD2 PRO 61 2HD PRO 61 -8.149 22.961 3.960 525 HD3 PRO 61 1HD PRO 61 -9.649 22.920 3.010 526 H GLU 62 H GLU 62 -5.725 22.149 2.691 527 HA GLU 62 HA GLU 62 -3.578 21.635 0.901 528 HB2 GLU 62 2HB GLU 62 -3.068 21.604 3.809 529 HB3 GLU 62 1HB GLU 62 -2.273 22.480 2.541 530 HG2 GLU 62 2HG GLU 62 -3.219 24.257 3.523 531 HG3 GLU 62 1HG GLU 62 -4.614 23.771 2.555 532 H LYS 63 H LYS 63 -4.835 20.040 3.729 533 HA LYS 63 HA LYS 63 -3.110 17.833 3.757 534 HB2 LYS 63 2HB LYS 63 -5.936 18.049 4.804 535 HB3 LYS 63 1HB LYS 63 -4.844 16.720 5.156 536 HG2 LYS 63 2HG LYS 63 -4.707 18.075 7.043 537 HG3 LYS 63 1HG LYS 63 -3.276 18.513 6.113 538 HD2 LYS 63 2HD LYS 63 -4.268 20.529 5.364 539 HD3 LYS 63 1HD LYS 63 -5.861 20.036 5.932 540 HE2 LYS 63 2HE LYS 63 -4.903 20.054 8.262 541 HE3 LYS 63 1HE LYS 63 -3.469 20.816 7.580 542 HZ1 LYS 63 3HZ LYS 63 -6.237 21.904 7.483 543 HZ2 LYS 63 1HZ LYS 63 -4.882 22.628 6.761 544 HZ3 LYS 63 2HZ LYS 63 -4.974 22.480 8.453 545 H ARG 64 H ARG 64 -5.825 18.540 1.731 546 HA ARG 64 HA ARG 64 -6.461 15.897 0.952 547 HB2 ARG 64 2HB ARG 64 -7.980 17.722 0.411 548 HB3 ARG 64 1HB ARG 64 -6.747 18.479 -0.597 549 HG2 ARG 64 2HG ARG 64 -6.764 16.319 -1.949 550 HG3 ARG 64 1HG ARG 64 -8.253 15.932 -1.091 551 HD2 ARG 64 2HD ARG 64 -9.434 17.638 -2.103 552 HD3 ARG 64 1HD ARG 64 -7.974 18.558 -2.486 553 HE ARG 64 HE ARG 64 -7.551 16.423 -3.976 554 HH11 ARG 64 1HH1 ARG 64 -10.550 18.224 -3.558 555 HH12 ARG 64 2HH1 ARG 64 -11.132 17.828 -5.147 556 HH21 ARG 64 1HH2 ARG 64 -8.339 15.937 -6.051 557 HH22 ARG 64 2HH2 ARG 64 -9.889 16.548 -6.554 558 H GLN 65 H GLN 65 -4.094 18.245 -0.186 559 HA GLN 65 HA GLN 65 -3.198 16.938 -2.490 560 HB2 GLN 65 2HB GLN 65 -2.375 19.149 -0.934 561 HB3 GLN 65 1HB GLN 65 -0.974 18.097 -1.060 562 HG2 GLN 65 2HG GLN 65 -2.571 19.215 -3.356 563 HG3 GLN 65 1HG GLN 65 -0.983 19.760 -2.821 564 HE21 GLN 65 1HE2 GLN 65 -2.767 17.329 -4.508 565 HE22 GLN 65 2HE2 GLN 65 -1.399 16.494 -5.172 566 H VAL 66 H VAL 66 -2.360 16.415 0.892 567 HA VAL 66 HA VAL 66 -0.306 14.530 0.520 568 HB VAL 66 HB VAL 66 -2.308 14.650 2.790 569 HG11 VAL 66 1HG1 VAL 66 0.449 13.426 2.673 570 HG12 VAL 66 2HG1 VAL 66 -1.075 12.539 2.708 571 HG13 VAL 66 3HG1 VAL 66 -0.588 13.509 4.098 572 HG21 VAL 66 3HG2 VAL 66 -0.603 15.984 3.956 573 HG22 VAL 66 1HG2 VAL 66 -1.187 16.789 2.501 574 HG23 VAL 66 2HG2 VAL 66 0.382 15.985 2.495 575 H ILE 67 H ILE 67 -3.805 14.157 0.893 576 HA ILE 67 HA ILE 67 -3.915 11.349 0.676 577 HB ILE 67 HB ILE 67 -6.047 13.333 -0.155 578 HG12 ILE 67 2HG1 ILE 67 -5.660 11.990 2.530 579 HG13 ILE 67 1HG1 ILE 67 -5.217 13.658 2.181 580 HG21 ILE 67 1HG2 ILE 67 -6.229 10.433 0.654 581 HG22 ILE 67 2HG2 ILE 67 -6.464 11.083 -0.967 582 HG23 ILE 67 3HG2 ILE 67 -7.600 11.489 0.318 583 HD11 ILE 67 3HD1 ILE 67 -7.547 14.185 1.721 584 HD12 ILE 67 1HD1 ILE 67 -7.353 13.513 3.337 585 HD13 ILE 67 2HD1 ILE 67 -7.995 12.511 2.036 586 H ASP 68 H ASP 68 -4.277 13.930 -1.731 587 HA ASP 68 HA ASP 68 -4.759 12.352 -3.986 588 HB2 ASP 68 2HB ASP 68 -3.707 15.100 -3.511 589 HB3 ASP 68 1HB ASP 68 -3.443 14.407 -5.100 590 H LYS 69 H LYS 69 -1.671 13.381 -2.535 591 HA LYS 69 HA LYS 69 -0.014 12.233 -4.507 592 HB2 LYS 69 2HB LYS 69 0.863 13.774 -2.801 593 HB3 LYS 69 1HB LYS 69 0.561 12.569 -1.553 594 HG2 LYS 69 2HG LYS 69 2.107 11.037 -2.819 595 HG3 LYS 69 1HG LYS 69 2.543 12.430 -3.808 596 HD2 LYS 69 2HD LYS 69 3.277 13.617 -1.791 597 HD3 LYS 69 1HD LYS 69 2.860 12.207 -0.814 598 HE2 LYS 69 2HE LYS 69 4.887 12.244 -3.050 599 HE3 LYS 69 1HE LYS 69 5.271 12.333 -1.334 600 HZ1 LYS 69 3HZ LYS 69 4.440 10.138 -1.009 601 HZ2 LYS 69 1HZ LYS 69 5.495 10.087 -2.328 602 HZ3 LYS 69 2HZ LYS 69 3.813 10.054 -2.580 603 H ILE 70 H ILE 70 -1.279 10.896 -1.457 604 HA ILE 70 HA ILE 70 -0.012 8.385 -1.653 605 HB ILE 70 HB ILE 70 -2.611 9.090 -0.272 606 HG12 ILE 70 2HG1 ILE 70 0.202 8.869 0.828 607 HG13 ILE 70 1HG1 ILE 70 -0.644 10.380 0.509 608 HG21 ILE 70 1HG2 ILE 70 -2.426 6.690 -0.645 609 HG22 ILE 70 2HG2 ILE 70 -2.224 7.072 1.066 610 HG23 ILE 70 3HG2 ILE 70 -0.814 6.688 0.077 611 HD11 ILE 70 3HD1 ILE 70 -1.479 8.284 2.499 612 HD12 ILE 70 1HD1 ILE 70 -2.315 9.803 2.187 613 HD13 ILE 70 2HD1 ILE 70 -0.689 9.815 2.868 614 H LEU 71 H LEU 71 -3.126 9.588 -2.774 615 HA LEU 71 HA LEU 71 -4.197 7.233 -3.781 616 HB2 LEU 71 2HB LEU 71 -4.549 10.132 -4.259 617 HB3 LEU 71 1HB LEU 71 -5.162 9.070 -5.501 618 HG LEU 71 HG LEU 71 -5.922 8.886 -2.589 619 HD11 LEU 71 1HD1 LEU 71 -7.425 10.101 -4.901 620 HD12 LEU 71 2HD1 LEU 71 -6.720 10.979 -3.543 621 HD13 LEU 71 3HD1 LEU 71 -8.058 9.861 -3.272 622 HD21 LEU 71 3HD2 LEU 71 -7.076 7.580 -5.047 623 HD22 LEU 71 1HD2 LEU 71 -7.705 7.435 -3.407 624 HD23 LEU 71 2HD2 LEU 71 -6.115 6.780 -3.803 625 H GLU 72 H GLU 72 -2.013 9.572 -5.329 626 HA GLU 72 HA GLU 72 -1.889 8.188 -7.815 627 HB2 GLU 72 2HB GLU 72 -1.189 10.586 -7.418 628 HB3 GLU 72 1HB GLU 72 0.258 9.958 -6.644 629 HG2 GLU 72 2HG GLU 72 0.676 8.683 -8.805 630 HG3 GLU 72 1HG GLU 72 -0.572 9.704 -9.517 631 H ASP 73 H ASP 73 0.142 8.213 -4.923 632 HA ASP 73 HA ASP 73 2.189 6.554 -5.838 633 HB2 ASP 73 2HB ASP 73 1.136 7.087 -3.070 634 HB3 ASP 73 1HB ASP 73 2.474 5.980 -3.344 635 H GLU 74 H GLU 74 -0.748 5.634 -4.017 636 HA GLU 74 HA GLU 74 -0.081 2.892 -3.928 637 HB2 GLU 74 2HB GLU 74 -2.829 4.139 -3.784 638 HB3 GLU 74 1HB GLU 74 -2.413 2.506 -3.289 639 HG2 GLU 74 2HG GLU 74 -1.341 5.029 -2.050 640 HG3 GLU 74 1HG GLU 74 -2.649 4.048 -1.399 641 H GLU 75 H GLU 75 -1.954 4.795 -6.266 642 HA GLU 75 HA GLU 75 -2.891 2.743 -7.878 643 HB2 GLU 75 2HB GLU 75 -3.324 5.293 -7.843 644 HB3 GLU 75 1HB GLU 75 -1.898 5.402 -8.865 645 HG2 GLU 75 2HG GLU 75 -3.713 5.409 -10.290 646 HG3 GLU 75 1HG GLU 75 -3.035 3.788 -10.393 647 H LYS 76 H LYS 76 0.120 4.547 -7.838 648 HA LYS 76 HA LYS 76 1.292 3.418 -10.154 649 HB2 LYS 76 2HB LYS 76 1.874 5.582 -8.916 650 HB3 LYS 76 1HB LYS 76 2.758 4.574 -7.786 651 HG2 LYS 76 2HG LYS 76 4.268 3.865 -9.499 652 HG3 LYS 76 1HG LYS 76 3.308 4.677 -10.740 653 HD2 LYS 76 2HD LYS 76 4.800 5.994 -8.469 654 HD3 LYS 76 1HD LYS 76 5.235 6.039 -10.180 655 HE2 LYS 76 2HE LYS 76 3.177 7.240 -10.688 656 HE3 LYS 76 1HE LYS 76 2.689 7.152 -8.998 657 HZ1 LYS 76 3HZ LYS 76 3.603 9.303 -9.447 658 HZ2 LYS 76 1HZ LYS 76 5.022 8.629 -10.097 659 HZ3 LYS 76 2HZ LYS 76 4.684 8.465 -8.439 660 H HIS 77 H HIS 77 1.398 2.628 -6.719 661 HA HIS 77 HA HIS 77 3.313 0.590 -6.769 662 HB2 HIS 77 2HB HIS 77 0.859 0.920 -5.030 663 HB3 HIS 77 1HB HIS 77 2.080 -0.311 -4.760 664 HD2 HIS 77 2HD HIS 77 4.176 2.504 -5.685 665 HE1 HIS 77 1HE HIS 77 3.407 3.116 -1.576 666 HE2 HIS 77 2HE HIS 77 4.668 3.954 -3.596 667 H ILE 78 H ILE 78 -0.221 0.401 -7.129 668 HA ILE 78 HA ILE 78 -0.435 -2.346 -7.576 669 HB ILE 78 HB ILE 78 -2.138 -0.210 -8.878 670 HG12 ILE 78 2HG1 ILE 78 -2.536 -1.588 -6.213 671 HG13 ILE 78 1HG1 ILE 78 -1.985 0.071 -6.416 672 HG21 ILE 78 1HG2 ILE 78 -2.433 -2.464 -9.805 673 HG22 ILE 78 2HG2 ILE 78 -3.868 -1.917 -8.943 674 HG23 ILE 78 3HG2 ILE 78 -2.778 -3.080 -8.190 675 HD11 ILE 78 3HD1 ILE 78 -4.104 0.639 -7.490 676 HD12 ILE 78 1HD1 ILE 78 -4.342 -0.007 -5.867 677 HD13 ILE 78 2HD1 ILE 78 -4.652 -1.025 -7.273 678 H GLU 79 H GLU 79 0.188 0.307 -9.819 679 HA GLU 79 HA GLU 79 -0.024 -1.036 -12.225 680 HB2 GLU 79 2HB GLU 79 0.171 1.434 -11.785 681 HB3 GLU 79 1HB GLU 79 1.899 1.192 -11.578 682 HG2 GLU 79 2HG GLU 79 1.268 2.012 -13.798 683 HG3 GLU 79 1HG GLU 79 2.131 0.478 -13.830 684 H TRP 80 H TRP 80 2.805 -0.677 -10.091 685 HA TRP 80 HA TRP 80 4.643 -2.015 -11.766 686 HB2 TRP 80 2HB TRP 80 4.634 -1.845 -8.743 687 HB3 TRP 80 1HB TRP 80 6.001 -2.317 -9.740 688 HD1 TRP 80 HD TRP 80 5.412 0.133 -11.915 689 HE1 TRP 80 1HE TRP 80 6.248 2.483 -11.247 690 HE3 TRP 80 3HE TRP 80 5.812 -0.570 -6.870 691 HZ2 TRP 80 2HZ TRP 80 6.965 3.848 -8.876 692 HZ3 TRP 80 3HZ TRP 80 6.580 1.304 -5.468 693 HH2 TRP 80 HH TRP 80 7.145 3.465 -6.452 694 H HIS 81 H HIS 81 2.523 -3.158 -9.189 695 HA HIS 81 HA HIS 81 3.551 -5.796 -9.159 696 HB2 HIS 81 2HB HIS 81 1.082 -4.556 -7.977 697 HB3 HIS 81 1HB HIS 81 1.413 -6.283 -7.835 698 HD1 HIS 81 1HD HIS 81 3.359 -6.996 -6.270 699 HD2 HIS 81 2HD HIS 81 2.779 -2.886 -6.500 700 HE1 HIS 81 1HE HIS 81 4.847 -5.960 -4.493 701 H LYS 82 H LYS 82 1.054 -4.268 -11.045 702 HA LYS 82 HA LYS 82 -0.394 -6.492 -11.910 703 HB2 LYS 82 2HB LYS 82 0.384 -4.043 -13.513 704 HB3 LYS 82 1HB LYS 82 -0.883 -5.176 -13.949 705 HG2 LYS 82 2HG LYS 82 -2.201 -4.524 -12.066 706 HG3 LYS 82 1HG LYS 82 -0.888 -3.529 -11.433 707 HD2 LYS 82 2HD LYS 82 -1.014 -2.151 -13.498 708 HD3 LYS 82 1HD LYS 82 -2.417 -3.095 -13.996 709 HE2 LYS 82 2HE LYS 82 -3.635 -2.360 -12.024 710 HE3 LYS 82 1HE LYS 82 -2.222 -1.472 -11.460 711 HZ1 LYS 82 3HZ LYS 82 -2.368 -0.088 -13.460 712 HZ2 LYS 82 1HZ LYS 82 -3.777 0.014 -12.512 713 HZ3 LYS 82 2HZ LYS 82 -3.769 -0.919 -13.931 714 H ALA 83 H ALA 83 2.522 -5.026 -13.326 715 HA ALA 83 HA ALA 83 2.748 -6.955 -15.411 716 HB1 ALA 83 1HB ALA 83 4.898 -5.908 -15.874 717 HB2 ALA 83 2HB ALA 83 4.819 -5.043 -14.338 718 HB3 ALA 83 3HB ALA 83 3.651 -4.686 -15.611 719 H ALA 84 H ALA 84 4.063 -6.648 -12.192 720 HA ALA 84 HA ALA 84 6.200 -8.435 -12.359 721 HB1 ALA 84 1HB ALA 84 6.091 -8.521 -9.915 722 HB2 ALA 84 2HB ALA 84 4.511 -7.738 -9.966 723 HB3 ALA 84 3HB ALA 84 5.943 -6.871 -10.522 724 H SER 85 H SER 85 2.798 -9.058 -12.038 725 HA SER 85 HA SER 85 2.757 -11.472 -10.689 726 HB2 SER 85 2HB SER 85 0.921 -10.546 -12.904 727 HB3 SER 85 1HB SER 85 0.582 -11.865 -11.785 728 HG SER 85 HG SER 85 0.651 -9.104 -11.327 729 H LYS 86 H LYS 86 3.856 -10.921 -13.938 730 HA LYS 86 HA LYS 86 3.500 -13.757 -14.595 731 HB2 LYS 86 2HB LYS 86 2.794 -11.791 -16.131 732 HB3 LYS 86 1HB LYS 86 4.506 -11.667 -16.504 733 HG2 LYS 86 2HG LYS 86 4.495 -13.999 -17.269 734 HG3 LYS 86 1HG LYS 86 2.767 -14.090 -16.923 735 HD2 LYS 86 2HD LYS 86 2.426 -12.202 -18.521 736 HD3 LYS 86 1HD LYS 86 4.132 -12.329 -18.952 737 HE2 LYS 86 2HE LYS 86 2.859 -13.541 -20.578 738 HE3 LYS 86 1HE LYS 86 3.729 -14.706 -19.582 739 HZ1 LYS 86 3HZ LYS 86 1.696 -15.075 -18.310 740 HZ2 LYS 86 1HZ LYS 86 1.448 -15.403 -19.957 741 HZ3 LYS 86 2HZ LYS 86 0.868 -13.960 -19.279 742 H GLN 87 H GLN 87 5.794 -11.897 -13.168 743 HA GLN 87 HA GLN 87 7.963 -13.648 -14.081 744 HB2 GLN 87 2HB GLN 87 8.114 -10.636 -13.894 745 HB3 GLN 87 1HB GLN 87 9.514 -11.682 -14.081 746 HG2 GLN 87 2HG GLN 87 8.678 -12.458 -16.222 747 HG3 GLN 87 1HG GLN 87 7.228 -11.474 -16.030 748 HE21 GLN 87 1HE2 GLN 87 9.290 -11.449 -18.110 749 HE22 GLN 87 2HE2 GLN 87 9.903 -9.830 -18.138 750 H GLY 88 H GLY 88 8.129 -14.787 -12.213 751 HA2 GLY 88 2HA GLY 88 8.315 -13.226 -9.715 752 HA3 GLY 88 1HA GLY 88 7.712 -14.870 -9.816 753 H ASN 89 H ASN 89 10.631 -12.896 -10.201 754 HA ASN 89 HA ASN 89 12.144 -15.214 -9.179 755 HB2 ASN 89 2HB ASN 89 12.888 -14.325 -11.428 756 HB3 ASN 89 1HB ASN 89 13.344 -12.833 -10.607 757 HD21 ASN 89 1HD2 ASN 89 15.531 -13.063 -11.055 758 HD22 ASN 89 2HD2 ASN 89 16.510 -14.283 -10.293 759 H ALA 90 H ALA 90 13.452 -14.936 -7.396 760 HA ALA 90 HA ALA 90 12.385 -13.212 -5.458 761 HB1 ALA 90 1HB ALA 90 14.974 -14.747 -5.348 762 HB2 ALA 90 2HB ALA 90 13.382 -15.391 -4.952 763 HB3 ALA 90 3HB ALA 90 14.082 -14.103 -3.971 764 H GLU 91 H GLU 91 15.357 -12.957 -7.366 765 HA GLU 91 HA GLU 91 16.637 -11.019 -5.811 766 HB2 GLU 91 2HB GLU 91 16.865 -11.930 -8.651 767 HB3 GLU 91 1HB GLU 91 17.775 -10.530 -8.115 768 HG2 GLU 91 2HG GLU 91 19.014 -12.696 -8.057 769 HG3 GLU 91 1HG GLU 91 18.994 -11.805 -6.539 770 H GLN 92 H GLN 92 14.670 -10.584 -8.750 771 HA GLN 92 HA GLN 92 14.812 -7.739 -8.624 772 HB2 GLN 92 2HB GLN 92 13.118 -7.800 -10.429 773 HB3 GLN 92 1HB GLN 92 14.503 -8.830 -10.758 774 HG2 GLN 92 2HG GLN 92 12.846 -10.245 -11.369 775 HG3 GLN 92 1HG GLN 92 12.948 -10.663 -9.660 776 HE21 GLN 92 1HE2 GLN 92 10.871 -11.297 -9.383 777 HE22 GLN 92 2HE2 GLN 92 9.504 -10.252 -9.545 778 H PHE 93 H PHE 93 12.706 -10.127 -7.279 779 HA PHE 93 HA PHE 93 10.410 -8.457 -7.001 780 HB2 PHE 93 2HB PHE 93 10.531 -11.036 -7.124 781 HB3 PHE 93 1HB PHE 93 10.907 -10.958 -5.405 782 HD1 PHE 93 1HD PHE 93 8.396 -9.778 -7.886 783 HD2 PHE 93 2HD PHE 93 9.182 -10.953 -3.873 784 HE1 PHE 93 1HE PHE 93 5.993 -9.644 -7.382 785 HE2 PHE 93 2HE PHE 93 6.782 -10.823 -3.365 786 HZ PHE 93 HZ PHE 93 5.185 -10.168 -5.113 787 H ALA 94 H ALA 94 13.067 -9.433 -4.923 788 HA ALA 94 HA ALA 94 12.157 -8.424 -2.488 789 HB1 ALA 94 1HB ALA 94 14.479 -8.408 -1.794 790 HB2 ALA 94 2HB ALA 94 15.006 -8.505 -3.475 791 HB3 ALA 94 3HB ALA 94 14.143 -9.859 -2.742 792 H SER 95 H SER 95 13.766 -6.816 -5.179 793 HA SER 95 HA SER 95 14.179 -4.337 -3.891 794 HB2 SER 95 2HB SER 95 13.898 -4.993 -6.838 795 HB3 SER 95 1HB SER 95 14.565 -3.510 -6.172 796 HG SER 95 HG SER 95 16.215 -4.746 -5.201 797 H LEU 96 H LEU 96 11.571 -5.636 -5.901 798 HA LEU 96 HA LEU 96 10.031 -3.291 -6.114 799 HB2 LEU 96 2HB LEU 96 9.666 -5.245 -7.520 800 HB3 LEU 96 1HB LEU 96 9.193 -6.192 -6.128 801 HG LEU 96 HG LEU 96 7.194 -4.789 -5.838 802 HD11 LEU 96 1HD1 LEU 96 6.571 -3.164 -7.542 803 HD12 LEU 96 2HD1 LEU 96 8.101 -3.431 -8.379 804 HD13 LEU 96 3HD1 LEU 96 8.088 -2.704 -6.771 805 HD21 LEU 96 3HD2 LEU 96 7.022 -6.798 -7.172 806 HD22 LEU 96 1HD2 LEU 96 7.553 -5.921 -8.609 807 HD23 LEU 96 2HD2 LEU 96 6.005 -5.529 -7.859 808 H VAL 97 H VAL 97 9.891 -5.987 -3.820 809 HA VAL 97 HA VAL 97 7.720 -5.055 -2.306 810 HB VAL 97 HB VAL 97 10.026 -6.811 -1.423 811 HG11 VAL 97 1HG1 VAL 97 8.553 -7.561 0.374 812 HG12 VAL 97 2HG1 VAL 97 7.322 -6.408 -0.145 813 HG13 VAL 97 3HG1 VAL 97 8.860 -5.826 0.493 814 HG21 VAL 97 3HG2 VAL 97 7.271 -7.504 -2.446 815 HG22 VAL 97 1HG2 VAL 97 8.456 -8.659 -1.832 816 HG23 VAL 97 2HG2 VAL 97 8.794 -7.743 -3.303 817 H GLN 98 H GLN 98 11.219 -4.550 -1.902 818 HA GLN 98 HA GLN 98 11.027 -3.187 0.565 819 HB2 GLN 98 2HB GLN 98 13.103 -4.226 -0.424 820 HB3 GLN 98 1HB GLN 98 13.201 -2.842 -1.502 821 HG2 GLN 98 2HG GLN 98 13.411 -1.350 0.411 822 HG3 GLN 98 1HG GLN 98 13.282 -2.727 1.505 823 HE21 GLN 98 1HE2 GLN 98 15.306 -1.014 -0.719 824 HE22 GLN 98 2HE2 GLN 98 16.770 -1.862 -0.363 825 H GLN 99 H GLN 99 11.145 -2.030 -2.784 826 HA GLN 99 HA GLN 99 11.247 0.724 -2.217 827 HB2 GLN 99 2HB GLN 99 11.716 -0.302 -4.435 828 HB3 GLN 99 1HB GLN 99 10.004 -0.653 -4.607 829 HG2 GLN 99 2HG GLN 99 10.528 1.294 -5.883 830 HG3 GLN 99 1HG GLN 99 9.540 1.774 -4.504 831 HE21 GLN 99 1HE2 GLN 99 12.719 1.858 -5.932 832 HE22 GLN 99 2HE2 GLN 99 13.353 3.107 -4.920 833 H HIS 100 H HIS 100 8.525 -1.461 -2.778 834 HA HIS 100 HA HIS 100 6.478 0.474 -2.543 835 HB2 HIS 100 2HB HIS 100 6.272 -1.837 -3.539 836 HB3 HIS 100 1HB HIS 100 6.312 -2.483 -1.909 837 HD1 HIS 100 1HD HIS 100 3.875 -2.904 -3.817 838 HD2 HIS 100 2HD HIS 100 4.167 0.086 -0.943 839 HE1 HIS 100 1HE HIS 100 1.509 -2.235 -3.244 840 H LEU 101 H LEU 101 7.978 -1.751 -0.238 841 HA LEU 101 HA LEU 101 6.291 -1.346 1.936 842 HB2 LEU 101 2HB LEU 101 8.320 -2.996 1.457 843 HB3 LEU 101 1HB LEU 101 9.205 -1.801 2.381 844 HG LEU 101 HG LEU 101 6.742 -3.194 3.432 845 HD11 LEU 101 1HD1 LEU 101 9.643 -3.889 3.885 846 HD12 LEU 101 2HD1 LEU 101 8.493 -4.838 2.947 847 HD13 LEU 101 3HD1 LEU 101 8.259 -4.633 4.683 848 HD21 LEU 101 3HD2 LEU 101 7.583 -2.451 5.598 849 HD22 LEU 101 1HD2 LEU 101 7.288 -1.082 4.525 850 HD23 LEU 101 2HD2 LEU 101 8.938 -1.646 4.803 851 H GLN 102 H GLN 102 9.280 0.381 1.043 852 HA GLN 102 HA GLN 102 9.466 1.915 3.356 853 HB2 GLN 102 2HB GLN 102 10.523 2.174 0.567 854 HB3 GLN 102 1HB GLN 102 10.856 3.376 1.782 855 HG2 GLN 102 2HG GLN 102 11.553 0.464 1.962 856 HG3 GLN 102 1HG GLN 102 12.678 1.780 1.622 857 HE21 GLN 102 1HE2 GLN 102 13.308 3.148 3.270 858 HE22 GLN 102 2HE2 GLN 102 13.061 2.755 4.943 859 H ASP 103 H ASP 103 7.678 2.445 0.358 860 HA ASP 103 HA ASP 103 7.077 5.179 0.889 861 HB2 ASP 103 2HB ASP 103 6.868 3.951 -1.369 862 HB3 ASP 103 1HB ASP 103 5.328 3.363 -0.758 863 H GLU 104 H GLU 104 5.414 2.128 1.511 864 HA GLU 104 HA GLU 104 3.046 3.250 2.569 865 HB2 GLU 104 2HB GLU 104 4.277 0.561 3.202 866 HB3 GLU 104 1HB GLU 104 2.616 1.032 3.518 867 HG2 GLU 104 2HG GLU 104 3.892 0.758 0.808 868 HG3 GLU 104 1HG GLU 104 2.781 -0.383 1.559 869 H GLN 105 H GLN 105 6.154 2.409 3.996 870 HA GLN 105 HA GLN 105 5.504 2.703 6.694 871 HB2 GLN 105 2HB GLN 105 8.059 3.245 5.179 872 HB3 GLN 105 1HB GLN 105 7.943 3.311 6.923 873 HG2 GLN 105 2HG GLN 105 7.245 0.874 5.327 874 HG3 GLN 105 1HG GLN 105 8.857 1.187 5.963 875 HE21 GLN 105 1HE2 GLN 105 8.820 -0.623 7.255 876 HE22 GLN 105 2HE2 GLN 105 7.849 -0.741 8.683 877 H ARG 106 H ARG 106 6.516 5.062 4.261 878 HA ARG 106 HA ARG 106 6.569 7.294 6.013 879 HB2 ARG 106 2HB ARG 106 7.676 7.182 3.761 880 HB3 ARG 106 1HB ARG 106 6.083 7.313 3.026 881 HG2 ARG 106 2HG ARG 106 5.796 9.484 4.215 882 HG3 ARG 106 1HG ARG 106 7.476 9.361 4.733 883 HD2 ARG 106 2HD ARG 106 8.177 9.280 2.378 884 HD3 ARG 106 1HD ARG 106 6.493 9.449 1.882 885 HE ARG 106 HE ARG 106 8.246 11.523 2.852 886 HH11 ARG 106 1HH1 ARG 106 4.914 10.543 2.381 887 HH12 ARG 106 2HH1 ARG 106 4.278 12.158 2.469 888 HH21 ARG 106 1HH2 ARG 106 7.417 13.672 2.919 889 HH22 ARG 106 2HH2 ARG 106 5.708 13.939 2.727 890 H HIS 107 H HIS 107 4.042 5.826 4.023 891 HA HIS 107 HA HIS 107 2.071 7.807 4.339 892 HB2 HIS 107 2HB HIS 107 1.773 4.807 4.049 893 HB3 HIS 107 1HB HIS 107 0.429 5.940 3.978 894 HD2 HIS 107 2HD HIS 107 2.656 7.919 2.033 895 HE1 HIS 107 1HE HIS 107 1.473 4.919 -0.706 896 HE2 HIS 107 2HE HIS 107 2.752 7.077 -0.427 897 H VAL 108 H VAL 108 2.672 4.853 6.231 898 HA VAL 108 HA VAL 108 0.763 5.325 8.232 899 HB VAL 108 HB VAL 108 3.381 3.818 8.415 900 HG11 VAL 108 1HG1 VAL 108 0.984 3.739 10.244 901 HG12 VAL 108 2HG1 VAL 108 2.574 4.396 10.635 902 HG13 VAL 108 3HG1 VAL 108 2.381 2.666 10.335 903 HG21 VAL 108 3HG2 VAL 108 0.569 2.895 7.833 904 HG22 VAL 108 1HG2 VAL 108 1.952 1.831 8.088 905 HG23 VAL 108 2HG2 VAL 108 1.924 2.923 6.704 906 H GLU 109 H GLU 109 4.193 6.190 8.039 907 HA GLU 109 HA GLU 109 4.488 7.394 10.523 908 HB2 GLU 109 2HB GLU 109 5.821 7.725 7.868 909 HB3 GLU 109 1HB GLU 109 6.231 8.818 9.176 910 HG2 GLU 109 2HG GLU 109 6.416 5.820 9.297 911 HG3 GLU 109 1HG GLU 109 7.770 6.913 9.008 912 H GLU 110 H GLU 110 3.222 8.736 7.507 913 HA GLU 110 HA GLU 110 3.050 11.396 8.461 914 HB2 GLU 110 2HB GLU 110 2.098 9.880 6.105 915 HB3 GLU 110 1HB GLU 110 1.254 11.373 6.481 916 HG2 GLU 110 2HG GLU 110 4.209 11.075 6.016 917 HG3 GLU 110 1HG GLU 110 3.037 11.767 4.892 918 H ILE 111 H ILE 111 0.771 8.702 8.378 919 HA ILE 111 HA ILE 111 -1.449 10.245 9.289 920 HB ILE 111 HB ILE 111 -1.064 7.246 9.377 921 HG12 ILE 111 2HG1 ILE 111 -2.482 8.976 7.336 922 HG13 ILE 111 1HG1 ILE 111 -0.903 8.234 7.103 923 HG21 ILE 111 1HG2 ILE 111 -2.807 8.008 10.902 924 HG22 ILE 111 2HG2 ILE 111 -3.508 7.153 9.529 925 HG23 ILE 111 3HG2 ILE 111 -3.572 8.915 9.597 926 HD11 ILE 111 3HD1 ILE 111 -3.493 6.769 7.534 927 HD12 ILE 111 1HD1 ILE 111 -1.912 6.025 7.292 928 HD13 ILE 111 2HD1 ILE 111 -2.651 6.967 5.998 929 H GLU 112 H GLU 112 0.749 7.958 10.917 930 HA GLU 112 HA GLU 112 -0.528 8.099 13.432 931 HB2 GLU 112 2HB GLU 112 2.105 7.098 12.413 932 HB3 GLU 112 1HB GLU 112 1.779 7.130 14.131 933 HG2 GLU 112 2HG GLU 112 -0.211 5.846 12.345 934 HG3 GLU 112 1HG GLU 112 1.298 4.999 12.672 935 H LYS 113 H LYS 113 2.400 9.670 12.160 936 HA LYS 113 HA LYS 113 3.070 10.832 14.661 937 HB2 LYS 113 2HB LYS 113 4.764 10.150 13.079 938 HB3 LYS 113 1HB LYS 113 4.127 11.256 11.879 939 HG2 LYS 113 2HG LYS 113 5.169 12.295 14.478 940 HG3 LYS 113 1HG LYS 113 6.268 11.854 13.170 941 HD2 LYS 113 2HD LYS 113 4.609 13.349 11.752 942 HD3 LYS 113 1HD LYS 113 4.290 14.069 13.333 943 HE2 LYS 113 2HE LYS 113 6.031 15.309 12.213 944 HE3 LYS 113 1HE LYS 113 6.704 14.468 13.608 945 HZ1 LYS 113 3HZ LYS 113 7.981 14.389 11.406 946 HZ2 LYS 113 1HZ LYS 113 6.814 13.263 10.912 947 HZ3 LYS 113 2HZ LYS 113 7.788 12.937 12.261 948 H LYS 114 H LYS 114 1.465 11.956 11.818 949 HA LYS 114 HA LYS 114 1.527 14.699 12.785 950 HB2 LYS 114 2HB LYS 114 2.025 14.243 10.401 951 HB3 LYS 114 1HB LYS 114 0.386 13.644 10.188 952 HG2 LYS 114 2HG LYS 114 -0.513 15.828 10.690 953 HG3 LYS 114 1HG LYS 114 1.102 16.440 11.043 954 HD2 LYS 114 2HD LYS 114 0.480 17.157 8.833 955 HD3 LYS 114 1HD LYS 114 1.742 15.935 8.687 956 HE2 LYS 114 2HE LYS 114 -1.154 15.183 8.519 957 HE3 LYS 114 1HE LYS 114 -0.306 15.820 7.113 958 HZ1 LYS 114 3HZ LYS 114 0.563 13.436 8.659 959 HZ2 LYS 114 1HZ LYS 114 1.248 14.007 7.215 960 HZ3 LYS 114 2HZ LYS 114 -0.330 13.369 7.225 961 H ASN 115 H ASN 115 0.224 14.212 14.615 962 HA ASN 115 HA ASN 115 -2.395 15.157 14.322 963 HB2 ASN 115 2HB ASN 115 -2.798 12.792 13.540 964 HB3 ASN 115 1HB ASN 115 -2.281 12.232 15.126 965 HD21 ASN 115 1HD2 ASN 115 -4.835 11.937 13.751 966 HD22 ASN 115 2HD2 ASN 115 -6.027 12.605 14.808 Start of MODEL 17 1 H1 MET 1 H1 MET 1 -14.145 5.089 10.395 2 H2 MET 1 H2 MET 1 -14.561 5.663 11.934 3 H3 MET 1 H3 MET 1 -13.005 5.050 11.652 4 HA MET 1 HA MET 1 -12.447 6.853 10.237 5 HB2 MET 1 2HB MET 1 -13.968 8.540 9.572 6 HB3 MET 1 1HB MET 1 -14.843 7.032 9.353 7 HG2 MET 1 2HG MET 1 -15.156 8.997 11.613 8 HG3 MET 1 1HG MET 1 -16.301 8.680 10.314 9 HE1 MET 1 2HE MET 1 -18.155 8.462 12.254 10 HE2 MET 1 3HE MET 1 -16.915 8.689 13.489 11 HE3 MET 1 1HE MET 1 -18.023 7.325 13.599 12 H ASP 2 H ASP 2 -12.613 6.051 13.127 13 HA ASP 2 HA ASP 2 -13.502 8.155 14.749 14 HB2 ASP 2 2HB ASP 2 -13.157 5.771 15.439 15 HB3 ASP 2 1HB ASP 2 -11.425 6.089 15.468 16 H GLU 3 H GLU 3 -10.123 7.170 15.009 17 HA GLU 3 HA GLU 3 -9.375 10.003 14.684 18 HB2 GLU 3 2HB GLU 3 -8.096 7.970 16.525 19 HB3 GLU 3 1HB GLU 3 -7.608 9.652 16.345 20 HG2 GLU 3 2HG GLU 3 -9.833 10.346 17.155 21 HG3 GLU 3 1HG GLU 3 -10.234 8.653 17.423 22 H LEU 4 H LEU 4 -9.450 8.625 12.460 23 HA LEU 4 HA LEU 4 -8.302 7.990 10.614 24 HB2 LEU 4 2HB LEU 4 -6.010 9.065 12.234 25 HB3 LEU 4 1HB LEU 4 -5.754 8.339 10.660 26 HG LEU 4 HG LEU 4 -7.356 10.055 9.722 27 HD11 LEU 4 1HD1 LEU 4 -8.467 10.689 11.800 28 HD12 LEU 4 2HD1 LEU 4 -7.722 12.086 11.019 29 HD13 LEU 4 3HD1 LEU 4 -6.948 11.339 12.416 30 HD21 LEU 4 3HD2 LEU 4 -5.677 11.828 9.687 31 HD22 LEU 4 1HD2 LEU 4 -4.945 10.241 9.462 32 HD23 LEU 4 2HD2 LEU 4 -4.832 11.050 11.026 33 H ARG 5 H ARG 5 -8.456 6.330 13.245 34 HA ARG 5 HA ARG 5 -6.330 4.538 13.360 35 HB2 ARG 5 2HB ARG 5 -7.881 4.736 15.163 36 HB3 ARG 5 1HB ARG 5 -9.236 4.321 14.126 37 HG2 ARG 5 2HG ARG 5 -8.198 2.046 13.864 38 HG3 ARG 5 1HG ARG 5 -7.066 2.516 15.137 39 HD2 ARG 5 2HD ARG 5 -8.844 2.833 16.700 40 HD3 ARG 5 1HD ARG 5 -10.058 2.631 15.441 41 HE ARG 5 HE ARG 5 -8.475 0.516 16.707 42 HH11 ARG 5 1HH1 ARG 5 -10.891 1.449 14.329 43 HH12 ARG 5 2HH1 ARG 5 -11.590 -0.145 14.242 44 HH21 ARG 5 1HH2 ARG 5 -9.401 -1.573 16.583 45 HH22 ARG 5 2HH2 ARG 5 -10.743 -1.853 15.517 46 H GLU 6 H GLU 6 -9.420 4.287 11.622 47 HA GLU 6 HA GLU 6 -8.974 1.663 10.680 48 HB2 GLU 6 2HB GLU 6 -10.780 3.853 9.647 49 HB3 GLU 6 1HB GLU 6 -10.805 2.200 9.057 50 HG2 GLU 6 2HG GLU 6 -12.590 2.482 10.613 51 HG3 GLU 6 1HG GLU 6 -11.374 1.440 11.345 52 H LEU 7 H LEU 7 -8.307 4.842 9.342 53 HA LEU 7 HA LEU 7 -7.535 3.932 6.766 54 HB2 LEU 7 2HB LEU 7 -8.270 6.248 7.252 55 HB3 LEU 7 1HB LEU 7 -6.807 6.498 8.183 56 HG LEU 7 HG LEU 7 -5.478 6.105 6.111 57 HD11 LEU 7 1HD1 LEU 7 -8.180 6.186 4.775 58 HD12 LEU 7 2HD1 LEU 7 -7.132 4.773 4.900 59 HD13 LEU 7 3HD1 LEU 7 -6.616 6.173 3.958 60 HD21 LEU 7 3HD2 LEU 7 -5.999 8.274 5.093 61 HD22 LEU 7 1HD2 LEU 7 -5.978 8.365 6.856 62 HD23 LEU 7 2HD2 LEU 7 -7.515 8.323 5.994 63 H LEU 8 H LEU 8 -5.796 4.714 9.739 64 HA LEU 8 HA LEU 8 -3.188 4.487 8.679 65 HB2 LEU 8 2HB LEU 8 -3.830 5.598 10.829 66 HB3 LEU 8 1HB LEU 8 -4.077 4.010 11.524 67 HG LEU 8 HG LEU 8 -1.694 3.486 11.153 68 HD11 LEU 8 1HD1 LEU 8 -1.257 4.926 9.253 69 HD12 LEU 8 2HD1 LEU 8 -0.155 5.311 10.575 70 HD13 LEU 8 3HD1 LEU 8 -1.536 6.357 10.246 71 HD21 LEU 8 3HD2 LEU 8 -0.816 4.954 12.903 72 HD22 LEU 8 1HD2 LEU 8 -2.434 4.372 13.299 73 HD23 LEU 8 2HD2 LEU 8 -2.208 6.017 12.709 74 H LYS 9 H LYS 9 -5.210 2.216 10.503 75 HA LYS 9 HA LYS 9 -3.348 0.111 10.523 76 HB2 LYS 9 2HB LYS 9 -6.355 0.049 10.755 77 HB3 LYS 9 1HB LYS 9 -5.321 -1.349 11.020 78 HG2 LYS 9 2HG LYS 9 -4.162 -0.071 12.817 79 HG3 LYS 9 1HG LYS 9 -5.356 1.210 12.609 80 HD2 LYS 9 2HD LYS 9 -6.023 -0.173 14.456 81 HD3 LYS 9 1HD LYS 9 -7.139 -0.446 13.118 82 HE2 LYS 9 2HE LYS 9 -6.532 -2.551 14.184 83 HE3 LYS 9 1HE LYS 9 -5.932 -2.488 12.527 84 HZ1 LYS 9 3HZ LYS 9 -4.317 -3.381 14.151 85 HZ2 LYS 9 1HZ LYS 9 -4.276 -1.868 14.916 86 HZ3 LYS 9 2HZ LYS 9 -3.742 -2.026 13.314 87 H ALA 10 H ALA 10 -5.805 1.026 8.170 88 HA ALA 10 HA ALA 10 -5.729 -1.268 6.562 89 HB1 ALA 10 1HB ALA 10 -6.622 0.126 4.786 90 HB2 ALA 10 2HB ALA 10 -6.167 1.580 5.675 91 HB3 ALA 10 3HB ALA 10 -7.409 0.506 6.317 92 H GLU 11 H GLU 11 -3.763 1.686 6.452 93 HA GLU 11 HA GLU 11 -2.194 0.902 4.222 94 HB2 GLU 11 2HB GLU 11 -2.424 3.241 4.948 95 HB3 GLU 11 1HB GLU 11 -1.587 2.864 6.445 96 HG2 GLU 11 2HG GLU 11 -0.048 3.951 5.011 97 HG3 GLU 11 1HG GLU 11 0.412 2.254 5.099 98 H GLN 12 H GLN 12 -1.771 0.634 7.720 99 HA GLN 12 HA GLN 12 0.829 -0.481 7.668 100 HB2 GLN 12 2HB GLN 12 -1.353 -0.659 9.751 101 HB3 GLN 12 1HB GLN 12 0.301 -1.204 10.002 102 HG2 GLN 12 2HG GLN 12 1.128 1.044 9.709 103 HG3 GLN 12 1HG GLN 12 -0.490 1.617 9.316 104 HE21 GLN 12 1HE2 GLN 12 1.323 2.458 11.420 105 HE22 GLN 12 2HE2 GLN 12 0.473 2.244 12.912 106 H GLN 13 H GLN 13 -2.341 -1.836 7.231 107 HA GLN 13 HA GLN 13 -1.821 -4.544 7.707 108 HB2 GLN 13 2HB GLN 13 -4.076 -3.662 7.367 109 HB3 GLN 13 1HB GLN 13 -3.692 -3.274 5.700 110 HG2 GLN 13 2HG GLN 13 -3.358 -5.680 5.257 111 HG3 GLN 13 1HG GLN 13 -3.864 -6.025 6.911 112 HE21 GLN 13 1HE2 GLN 13 -5.062 -6.816 4.354 113 HE22 GLN 13 2HE2 GLN 13 -6.689 -6.231 4.392 114 H GLY 14 H GLY 14 -1.481 -2.595 4.798 115 HA2 GLY 14 2HA GLY 14 -0.602 -4.644 3.079 116 HA3 GLY 14 1HA GLY 14 -0.260 -2.933 2.874 117 H ILE 15 H ILE 15 1.164 -2.482 5.238 118 HA ILE 15 HA ILE 15 3.766 -3.275 4.561 119 HB ILE 15 HB ILE 15 2.691 -2.298 7.210 120 HG12 ILE 15 2HG1 ILE 15 4.118 -0.847 4.971 121 HG13 ILE 15 1HG1 ILE 15 2.398 -0.735 5.323 122 HG21 ILE 15 1HG2 ILE 15 5.020 -1.719 7.746 123 HG22 ILE 15 2HG2 ILE 15 5.546 -2.532 6.272 124 HG23 ILE 15 3HG2 ILE 15 4.787 -3.457 7.566 125 HD11 ILE 15 3HD1 ILE 15 4.633 0.158 7.128 126 HD12 ILE 15 1HD1 ILE 15 2.910 0.264 7.489 127 HD13 ILE 15 2HD1 ILE 15 3.592 1.198 6.158 128 H LYS 16 H LYS 16 1.478 -4.582 6.930 129 HA LYS 16 HA LYS 16 3.186 -6.536 8.034 130 HB2 LYS 16 2HB LYS 16 0.918 -5.774 8.909 131 HB3 LYS 16 1HB LYS 16 0.202 -6.822 7.698 132 HG2 LYS 16 2HG LYS 16 1.278 -8.756 8.690 133 HG3 LYS 16 1HG LYS 16 2.068 -7.724 9.881 134 HD2 LYS 16 2HD LYS 16 0.132 -8.797 10.867 135 HD3 LYS 16 1HD LYS 16 -0.141 -7.059 10.738 136 HE2 LYS 16 2HE LYS 16 -1.513 -7.378 8.774 137 HE3 LYS 16 1HE LYS 16 -1.151 -9.104 8.765 138 HZ1 LYS 16 3HZ LYS 16 -2.601 -7.678 10.935 139 HZ2 LYS 16 1HZ LYS 16 -2.305 -9.346 10.855 140 HZ3 LYS 16 2HZ LYS 16 -3.333 -8.611 9.724 141 H ILE 17 H ILE 17 0.897 -6.615 5.362 142 HA ILE 17 HA ILE 17 1.291 -9.295 4.575 143 HB ILE 17 HB ILE 17 0.530 -6.885 2.898 144 HG12 ILE 17 2HG1 ILE 17 -1.149 -9.078 4.139 145 HG13 ILE 17 1HG1 ILE 17 -1.020 -7.429 4.738 146 HG21 ILE 17 1HG2 ILE 17 1.430 -8.651 1.476 147 HG22 ILE 17 2HG2 ILE 17 -0.312 -8.491 1.247 148 HG23 ILE 17 3HG2 ILE 17 0.334 -9.819 2.211 149 HD11 ILE 17 3HD1 ILE 17 -2.020 -6.603 2.674 150 HD12 ILE 17 1HD1 ILE 17 -3.074 -7.755 3.493 151 HD13 ILE 17 2HD1 ILE 17 -2.150 -8.256 2.078 152 H LEU 18 H LEU 18 2.998 -6.318 3.611 153 HA LEU 18 HA LEU 18 4.727 -7.515 1.751 154 HB2 LEU 18 2HB LEU 18 5.133 -5.098 3.508 155 HB3 LEU 18 1HB LEU 18 6.233 -5.565 2.223 156 HG LEU 18 HG LEU 18 3.333 -4.805 1.851 157 HD11 LEU 18 1HD1 LEU 18 5.865 -3.295 1.223 158 HD12 LEU 18 2HD1 LEU 18 4.687 -2.893 2.471 159 HD13 LEU 18 3HD1 LEU 18 4.234 -2.798 0.771 160 HD21 LEU 18 3HD2 LEU 18 4.079 -6.426 0.194 161 HD22 LEU 18 1HD2 LEU 18 5.483 -5.424 -0.174 162 HD23 LEU 18 2HD2 LEU 18 3.861 -4.837 -0.537 163 H LYS 19 H LYS 19 5.003 -7.108 5.246 164 HA LYS 19 HA LYS 19 7.530 -8.197 5.642 165 HB2 LYS 19 2HB LYS 19 5.035 -8.130 7.306 166 HB3 LYS 19 1HB LYS 19 6.526 -8.831 7.888 167 HG2 LYS 19 2HG LYS 19 6.280 -6.006 6.918 168 HG3 LYS 19 1HG LYS 19 6.136 -6.497 8.598 169 HD2 LYS 19 2HD LYS 19 8.553 -6.903 6.852 170 HD3 LYS 19 1HD LYS 19 8.383 -5.679 8.110 171 HE2 LYS 19 2HE LYS 19 8.050 -7.526 9.759 172 HE3 LYS 19 1HE LYS 19 8.418 -8.672 8.470 173 HZ1 LYS 19 3HZ LYS 19 10.557 -7.291 8.226 174 HZ2 LYS 19 1HZ LYS 19 10.436 -8.393 9.514 175 HZ3 LYS 19 2HZ LYS 19 10.203 -6.738 9.787 176 H GLU 20 H GLU 20 4.351 -9.690 5.394 177 HA GLU 20 HA GLU 20 5.145 -12.343 5.896 178 HB2 GLU 20 2HB GLU 20 2.778 -10.849 5.161 179 HB3 GLU 20 1HB GLU 20 2.834 -12.388 4.339 180 HG2 GLU 20 2HG GLU 20 2.980 -11.913 7.303 181 HG3 GLU 20 1HG GLU 20 1.614 -12.580 6.413 182 H VAL 21 H VAL 21 4.623 -10.498 2.922 183 HA VAL 21 HA VAL 21 5.135 -12.553 1.072 184 HB VAL 21 HB VAL 21 5.586 -9.567 0.803 185 HG11 VAL 21 1HG1 VAL 21 5.548 -9.933 -1.612 186 HG12 VAL 21 2HG1 VAL 21 5.447 -11.675 -1.352 187 HG13 VAL 21 3HG1 VAL 21 6.893 -10.791 -0.858 188 HG21 VAL 21 3HG2 VAL 21 3.283 -11.320 -0.043 189 HG22 VAL 21 1HG2 VAL 21 3.444 -9.601 -0.398 190 HG23 VAL 21 2HG2 VAL 21 3.274 -10.144 1.271 191 H LEU 22 H LEU 22 7.302 -10.282 2.703 192 HA LEU 22 HA LEU 22 9.638 -10.896 1.274 193 HB2 LEU 22 2HB LEU 22 9.298 -8.958 2.826 194 HB3 LEU 22 1HB LEU 22 9.457 -10.069 4.169 195 HG LEU 22 HG LEU 22 11.760 -10.579 3.485 196 HD11 LEU 22 1HD1 LEU 22 12.839 -9.238 1.741 197 HD12 LEU 22 2HD1 LEU 22 11.284 -8.499 1.356 198 HD13 LEU 22 3HD1 LEU 22 11.528 -10.226 1.090 199 HD21 LEU 22 3HD2 LEU 22 12.749 -8.456 4.109 200 HD22 LEU 22 1HD2 LEU 22 11.302 -8.751 5.072 201 HD23 LEU 22 2HD2 LEU 22 11.248 -7.615 3.724 202 H LYS 23 H LYS 23 8.189 -12.360 4.131 203 HA LYS 23 HA LYS 23 10.265 -14.210 4.681 204 HB2 LYS 23 2HB LYS 23 8.167 -13.505 6.084 205 HB3 LYS 23 1HB LYS 23 7.371 -14.800 5.216 206 HG2 LYS 23 2HG LYS 23 9.908 -15.247 6.757 207 HG3 LYS 23 1HG LYS 23 8.316 -15.341 7.507 208 HD2 LYS 23 2HD LYS 23 7.671 -17.111 5.963 209 HD3 LYS 23 1HD LYS 23 9.232 -16.993 5.149 210 HE2 LYS 23 2HE LYS 23 10.370 -17.678 7.178 211 HE3 LYS 23 1HE LYS 23 8.840 -17.717 8.052 212 HZ1 LYS 23 3HZ LYS 23 9.522 -19.445 5.730 213 HZ2 LYS 23 1HZ LYS 23 8.099 -19.514 6.647 214 HZ3 LYS 23 2HZ LYS 23 9.581 -19.926 7.358 215 H LYS 24 H LYS 24 7.220 -14.471 2.925 216 HA LYS 24 HA LYS 24 7.571 -17.136 2.072 217 HB2 LYS 24 2HB LYS 24 5.790 -14.886 1.232 218 HB3 LYS 24 1HB LYS 24 5.818 -16.373 0.298 219 HG2 LYS 24 2HG LYS 24 5.214 -17.644 2.304 220 HG3 LYS 24 1HG LYS 24 5.189 -16.145 3.235 221 HD2 LYS 24 2HD LYS 24 3.357 -15.301 1.929 222 HD3 LYS 24 1HD LYS 24 3.444 -16.684 0.835 223 HE2 LYS 24 2HE LYS 24 2.829 -16.861 3.782 224 HE3 LYS 24 1HE LYS 24 1.612 -16.842 2.507 225 HZ1 LYS 24 3HZ LYS 24 2.577 -18.876 1.608 226 HZ2 LYS 24 1HZ LYS 24 2.096 -19.091 3.223 227 HZ3 LYS 24 2HZ LYS 24 3.738 -18.895 2.850 228 H ALA 25 H ALA 25 8.823 -14.155 0.830 229 HA ALA 25 HA ALA 25 9.518 -15.026 -1.760 230 HB1 ALA 25 1HB ALA 25 10.911 -12.998 -0.010 231 HB2 ALA 25 2HB ALA 25 9.587 -12.672 -1.127 232 HB3 ALA 25 3HB ALA 25 11.150 -13.200 -1.747 233 H LYS 26 H LYS 26 11.017 -15.415 1.377 234 HA LYS 26 HA LYS 26 13.434 -16.588 0.390 235 HB2 LYS 26 2HB LYS 26 12.187 -16.493 3.138 236 HB3 LYS 26 1HB LYS 26 13.723 -17.283 2.812 237 HG2 LYS 26 2HG LYS 26 13.135 -14.371 2.307 238 HG3 LYS 26 1HG LYS 26 13.992 -15.010 3.712 239 HD2 LYS 26 2HD LYS 26 15.738 -15.899 2.272 240 HD3 LYS 26 1HD LYS 26 14.869 -15.343 0.842 241 HE2 LYS 26 2HE LYS 26 16.709 -13.836 1.430 242 HE3 LYS 26 1HE LYS 26 15.145 -13.032 1.551 243 HZ1 LYS 26 3HZ LYS 26 16.725 -12.590 3.418 244 HZ2 LYS 26 1HZ LYS 26 16.550 -14.212 3.884 245 HZ3 LYS 26 2HZ LYS 26 15.207 -13.171 3.897 246 H GLU 27 H GLU 27 10.276 -17.740 1.291 247 HA GLU 27 HA GLU 27 10.724 -20.476 1.561 248 HB2 GLU 27 2HB GLU 27 8.389 -19.079 0.237 249 HB3 GLU 27 1HB GLU 27 8.395 -20.756 0.758 250 HG2 GLU 27 2HG GLU 27 8.703 -18.364 2.557 251 HG3 GLU 27 1HG GLU 27 7.224 -19.296 2.323 252 H GLY 28 H GLY 28 10.098 -18.567 -1.361 253 HA2 GLY 28 2HA GLY 28 10.911 -18.891 -3.501 254 HA3 GLY 28 1HA GLY 28 11.736 -20.334 -2.934 255 H ASP 29 H ASP 29 8.372 -19.218 -3.392 256 HA ASP 29 HA ASP 29 7.923 -21.624 -5.011 257 HB2 ASP 29 2HB ASP 29 6.977 -22.087 -2.801 258 HB3 ASP 29 1HB ASP 29 6.036 -20.599 -2.881 259 H GLU 30 H GLU 30 6.914 -21.238 -6.890 260 HA GLU 30 HA GLU 30 6.544 -18.620 -7.835 261 HB2 GLU 30 2HB GLU 30 5.442 -21.232 -8.878 262 HB3 GLU 30 1HB GLU 30 5.356 -19.709 -9.748 263 HG2 GLU 30 2HG GLU 30 7.788 -19.617 -9.832 264 HG3 GLU 30 1HG GLU 30 7.877 -21.140 -8.945 265 H GLN 31 H GLN 31 4.171 -21.046 -6.825 266 HA GLN 31 HA GLN 31 1.887 -19.582 -7.557 267 HB2 GLN 31 2HB GLN 31 2.146 -21.726 -5.444 268 HB3 GLN 31 1HB GLN 31 0.654 -21.203 -6.215 269 HG2 GLN 31 2HG GLN 31 1.538 -21.963 -8.385 270 HG3 GLN 31 1HG GLN 31 2.987 -22.545 -7.568 271 HE21 GLN 31 1HE2 GLN 31 -0.396 -23.061 -8.132 272 HE22 GLN 31 2HE2 GLN 31 -0.467 -24.662 -7.480 273 H GLU 32 H GLU 32 3.576 -19.921 -4.456 274 HA GLU 32 HA GLU 32 1.903 -18.305 -2.921 275 HB2 GLU 32 2HB GLU 32 4.862 -18.861 -2.738 276 HB3 GLU 32 1HB GLU 32 3.962 -17.988 -1.520 277 HG2 GLU 32 2HG GLU 32 3.502 -20.829 -2.363 278 HG3 GLU 32 1HG GLU 32 4.266 -20.291 -0.868 279 H LEU 33 H LEU 33 4.842 -17.462 -4.753 280 HA LEU 33 HA LEU 33 4.869 -14.742 -4.056 281 HB2 LEU 33 2HB LEU 33 5.950 -16.106 -6.520 282 HB3 LEU 33 1HB LEU 33 6.315 -14.457 -6.058 283 HG LEU 33 HG LEU 33 7.061 -16.941 -4.512 284 HD11 LEU 33 1HD1 LEU 33 8.755 -14.960 -6.025 285 HD12 LEU 33 2HD1 LEU 33 8.381 -16.605 -6.538 286 HD13 LEU 33 3HD1 LEU 33 9.348 -16.332 -5.089 287 HD21 LEU 33 3HD2 LEU 33 6.564 -15.087 -3.007 288 HD22 LEU 33 1HD2 LEU 33 7.646 -14.040 -3.926 289 HD23 LEU 33 2HD2 LEU 33 8.295 -15.423 -3.045 290 H ALA 34 H ALA 34 3.402 -16.420 -6.814 291 HA ALA 34 HA ALA 34 2.473 -14.118 -8.154 292 HB1 ALA 34 1HB ALA 34 0.999 -15.620 -9.367 293 HB2 ALA 34 2HB ALA 34 1.279 -16.887 -8.174 294 HB3 ALA 34 3HB ALA 34 2.602 -16.337 -9.199 295 H ARG 35 H ARG 35 1.023 -16.177 -5.690 296 HA ARG 35 HA ARG 35 -1.506 -14.926 -5.600 297 HB2 ARG 35 2HB ARG 35 -0.179 -17.055 -4.323 298 HB3 ARG 35 1HB ARG 35 -0.665 -15.958 -3.043 299 HG2 ARG 35 2HG ARG 35 -2.970 -16.074 -3.775 300 HG3 ARG 35 1HG ARG 35 -2.505 -17.103 -5.132 301 HD2 ARG 35 2HD ARG 35 -1.660 -18.776 -3.509 302 HD3 ARG 35 1HD ARG 35 -2.260 -17.761 -2.200 303 HE ARG 35 HE ARG 35 -4.228 -18.516 -4.190 304 HH11 ARG 35 1HH1 ARG 35 -2.705 -19.333 -1.138 305 HH12 ARG 35 2HH1 ARG 35 -4.067 -20.256 -0.565 306 HH21 ARG 35 1HH2 ARG 35 -6.025 -19.689 -3.436 307 HH22 ARG 35 2HH2 ARG 35 -5.949 -20.485 -1.888 308 H LEU 36 H LEU 36 1.488 -14.448 -3.782 309 HA LEU 36 HA LEU 36 0.557 -12.474 -2.007 310 HB2 LEU 36 2HB LEU 36 3.326 -12.971 -3.094 311 HB3 LEU 36 1HB LEU 36 2.963 -11.884 -1.767 312 HG LEU 36 HG LEU 36 2.412 -14.849 -1.740 313 HD11 LEU 36 1HD1 LEU 36 4.338 -14.977 -0.230 314 HD12 LEU 36 2HD1 LEU 36 4.667 -13.269 -0.526 315 HD13 LEU 36 3HD1 LEU 36 4.790 -14.432 -1.845 316 HD21 LEU 36 3HD2 LEU 36 2.318 -12.756 0.432 317 HD22 LEU 36 1HD2 LEU 36 2.126 -14.492 0.675 318 HD23 LEU 36 2HD2 LEU 36 0.938 -13.598 -0.272 319 H ASN 37 H ASN 37 2.106 -12.233 -5.181 320 HA ASN 37 HA ASN 37 2.491 -9.479 -5.258 321 HB2 ASN 37 2HB ASN 37 3.336 -11.181 -6.920 322 HB3 ASN 37 1HB ASN 37 1.725 -11.191 -7.629 323 HD21 ASN 37 1HD2 ASN 37 2.363 -10.379 -9.590 324 HD22 ASN 37 2HD2 ASN 37 2.905 -8.751 -9.803 325 H GLN 38 H GLN 38 -0.319 -11.365 -6.381 326 HA GLN 38 HA GLN 38 -1.864 -9.125 -7.118 327 HB2 GLN 38 2HB GLN 38 -2.113 -11.995 -7.019 328 HB3 GLN 38 1HB GLN 38 -3.587 -11.221 -6.468 329 HG2 GLN 38 2HG GLN 38 -2.211 -10.516 -9.039 330 HG3 GLN 38 1HG GLN 38 -3.474 -11.735 -8.913 331 HE21 GLN 38 1HE2 GLN 38 -5.584 -11.102 -8.565 332 HE22 GLN 38 2HE2 GLN 38 -6.100 -9.458 -8.707 333 H GLU 39 H GLU 39 -1.535 -10.972 -4.136 334 HA GLU 39 HA GLU 39 -3.719 -9.897 -2.737 335 HB2 GLU 39 2HB GLU 39 -2.359 -11.867 -2.011 336 HB3 GLU 39 1HB GLU 39 -1.062 -10.764 -1.575 337 HG2 GLU 39 2HG GLU 39 -2.223 -11.341 0.410 338 HG3 GLU 39 1HG GLU 39 -2.627 -9.669 0.025 339 H ILE 40 H ILE 40 -0.379 -8.776 -3.093 340 HA ILE 40 HA ILE 40 -0.500 -6.549 -1.394 341 HB ILE 40 HB ILE 40 1.093 -6.862 -3.951 342 HG12 ILE 40 2HG1 ILE 40 1.935 -7.303 -1.077 343 HG13 ILE 40 1HG1 ILE 40 1.487 -8.595 -2.186 344 HG21 ILE 40 1HG2 ILE 40 1.475 -4.939 -1.657 345 HG22 ILE 40 2HG2 ILE 40 0.893 -4.521 -3.267 346 HG23 ILE 40 3HG2 ILE 40 2.541 -5.110 -3.053 347 HD11 ILE 40 3HD1 ILE 40 3.778 -6.682 -2.562 348 HD12 ILE 40 1HD1 ILE 40 3.342 -8.011 -3.635 349 HD13 ILE 40 2HD1 ILE 40 3.903 -8.349 -1.997 350 H VAL 41 H VAL 41 -1.152 -6.808 -4.881 351 HA VAL 41 HA VAL 41 -1.939 -4.166 -5.355 352 HB VAL 41 HB VAL 41 -2.999 -6.663 -6.700 353 HG11 VAL 41 1HG1 VAL 41 -3.452 -5.167 -8.602 354 HG12 VAL 41 2HG1 VAL 41 -2.963 -3.791 -7.613 355 HG13 VAL 41 3HG1 VAL 41 -4.388 -4.732 -7.169 356 HG21 VAL 41 3HG2 VAL 41 -0.561 -6.548 -6.780 357 HG22 VAL 41 1HG2 VAL 41 -0.655 -4.912 -7.435 358 HG23 VAL 41 2HG2 VAL 41 -1.261 -6.275 -8.376 359 H LYS 42 H LYS 42 -3.791 -6.976 -4.293 360 HA LYS 42 HA LYS 42 -6.334 -5.795 -4.282 361 HB2 LYS 42 2HB LYS 42 -5.148 -8.093 -2.741 362 HB3 LYS 42 1HB LYS 42 -6.829 -7.609 -2.557 363 HG2 LYS 42 2HG LYS 42 -7.362 -8.182 -4.754 364 HG3 LYS 42 1HG LYS 42 -5.671 -8.227 -5.249 365 HD2 LYS 42 2HD LYS 42 -6.709 -10.469 -5.028 366 HD3 LYS 42 1HD LYS 42 -5.298 -10.237 -3.997 367 HE2 LYS 42 2HE LYS 42 -7.131 -11.399 -2.841 368 HE3 LYS 42 1HE LYS 42 -6.712 -9.868 -2.077 369 HZ1 LYS 42 3HZ LYS 42 -8.908 -10.009 -4.043 370 HZ2 LYS 42 1HZ LYS 42 -8.652 -8.873 -2.810 371 HZ3 LYS 42 2HZ LYS 42 -9.171 -10.439 -2.422 372 H ALA 43 H ALA 43 -3.896 -6.057 -1.707 373 HA ALA 43 HA ALA 43 -5.383 -4.767 0.308 374 HB1 ALA 43 1HB ALA 43 -3.240 -4.429 1.424 375 HB2 ALA 43 2HB ALA 43 -2.387 -4.846 -0.062 376 HB3 ALA 43 3HB ALA 43 -3.359 -6.062 0.769 377 H GLU 44 H GLU 44 -3.054 -3.511 -2.054 378 HA GLU 44 HA GLU 44 -3.117 -0.815 -1.323 379 HB2 GLU 44 2HB GLU 44 -2.754 -2.106 -4.037 380 HB3 GLU 44 1HB GLU 44 -2.470 -0.401 -3.718 381 HG2 GLU 44 2HG GLU 44 -1.047 -2.507 -2.143 382 HG3 GLU 44 1HG GLU 44 -0.478 -2.031 -3.743 383 H LYS 45 H LYS 45 -5.082 -2.597 -3.668 384 HA LYS 45 HA LYS 45 -6.547 -0.411 -4.640 385 HB2 LYS 45 2HB LYS 45 -6.314 -2.713 -5.661 386 HB3 LYS 45 1HB LYS 45 -7.507 -3.267 -4.496 387 HG2 LYS 45 2HG LYS 45 -9.145 -1.713 -5.423 388 HG3 LYS 45 1HG LYS 45 -7.946 -1.143 -6.586 389 HD2 LYS 45 2HD LYS 45 -9.091 -3.930 -6.380 390 HD3 LYS 45 1HD LYS 45 -9.399 -2.750 -7.656 391 HE2 LYS 45 2HE LYS 45 -7.022 -2.820 -8.277 392 HE3 LYS 45 1HE LYS 45 -6.740 -4.029 -7.024 393 HZ1 LYS 45 3HZ LYS 45 -8.431 -4.311 -9.444 394 HZ2 LYS 45 1HZ LYS 45 -8.383 -5.453 -8.185 395 HZ3 LYS 45 2HZ LYS 45 -6.989 -5.139 -9.097 396 H GLN 46 H GLN 46 -7.184 -2.658 -1.990 397 HA GLN 46 HA GLN 46 -9.761 -1.836 -1.290 398 HB2 GLN 46 2HB GLN 46 -8.721 -3.793 -0.291 399 HB3 GLN 46 1HB GLN 46 -7.478 -2.798 0.444 400 HG2 GLN 46 2HG GLN 46 -8.971 -3.324 2.167 401 HG3 GLN 46 1HG GLN 46 -9.317 -1.654 1.727 402 HE21 GLN 46 1HE2 GLN 46 -10.995 -3.575 3.095 403 HE22 GLN 46 2HE2 GLN 46 -12.432 -3.740 2.142 404 H GLY 47 H GLY 47 -6.612 -0.685 -0.186 405 HA2 GLY 47 2HA GLY 47 -7.604 1.345 1.524 406 HA3 GLY 47 1HA GLY 47 -5.963 1.229 0.904 407 H VAL 48 H VAL 48 -6.671 1.314 -1.871 408 HA VAL 48 HA VAL 48 -6.468 4.048 -2.307 409 HB VAL 48 HB VAL 48 -7.289 1.839 -4.186 410 HG11 VAL 48 1HG1 VAL 48 -6.684 4.709 -4.883 411 HG12 VAL 48 2HG1 VAL 48 -8.267 3.941 -4.978 412 HG13 VAL 48 3HG1 VAL 48 -6.958 3.400 -6.031 413 HG21 VAL 48 3HG2 VAL 48 -4.746 3.437 -3.900 414 HG22 VAL 48 1HG2 VAL 48 -5.037 2.169 -5.092 415 HG23 VAL 48 2HG2 VAL 48 -4.986 1.771 -3.373 416 H LYS 49 H LYS 49 -9.392 1.990 -2.601 417 HA LYS 49 HA LYS 49 -11.011 4.128 -3.508 418 HB2 LYS 49 2HB LYS 49 -11.535 1.600 -3.602 419 HB3 LYS 49 1HB LYS 49 -12.143 1.809 -1.963 420 HG2 LYS 49 2HG LYS 49 -13.644 3.597 -2.794 421 HG3 LYS 49 1HG LYS 49 -13.100 3.246 -4.431 422 HD2 LYS 49 2HD LYS 49 -13.933 0.912 -4.128 423 HD3 LYS 49 1HD LYS 49 -14.617 1.414 -2.577 424 HE2 LYS 49 2HE LYS 49 -15.825 3.237 -3.849 425 HE3 LYS 49 1HE LYS 49 -15.323 2.419 -5.325 426 HZ1 LYS 49 3HZ LYS 49 -17.533 1.758 -4.730 427 HZ2 LYS 49 1HZ LYS 49 -17.034 1.290 -3.179 428 HZ3 LYS 49 2HZ LYS 49 -16.501 0.427 -4.540 429 H VAL 50 H VAL 50 -10.237 2.903 -0.310 430 HA VAL 50 HA VAL 50 -12.032 4.528 1.151 431 HB VAL 50 HB VAL 50 -9.332 3.466 2.026 432 HG11 VAL 50 1HG1 VAL 50 -10.268 3.655 4.306 433 HG12 VAL 50 2HG1 VAL 50 -11.685 4.460 3.632 434 HG13 VAL 50 3HG1 VAL 50 -10.097 5.217 3.505 435 HG21 VAL 50 3HG2 VAL 50 -12.075 2.258 2.363 436 HG22 VAL 50 1HG2 VAL 50 -10.559 1.594 2.970 437 HG23 VAL 50 2HG2 VAL 50 -10.842 1.701 1.231 438 H TYR 51 H TYR 51 -8.669 5.036 0.094 439 HA TYR 51 HA TYR 51 -8.366 7.610 1.197 440 HB2 TYR 51 2HB TYR 51 -7.057 6.212 -1.119 441 HB3 TYR 51 1HB TYR 51 -6.696 7.895 -0.768 442 HD1 TYR 51 2HD TYR 51 -5.924 8.404 1.675 443 HD2 TYR 51 1HD TYR 51 -5.811 4.538 -0.098 444 HE1 TYR 51 2HE TYR 51 -4.233 7.706 3.314 445 HE2 TYR 51 1HE TYR 51 -4.120 3.831 1.539 446 HH TYR 51 HH TYR 51 -2.422 4.858 2.991 447 H LYS 52 H LYS 52 -9.682 6.529 -1.911 448 HA LYS 52 HA LYS 52 -10.103 9.062 -3.045 449 HB2 LYS 52 2HB LYS 52 -11.557 6.443 -3.418 450 HB3 LYS 52 1HB LYS 52 -11.927 7.881 -4.361 451 HG2 LYS 52 2HG LYS 52 -9.671 7.910 -5.254 452 HG3 LYS 52 1HG LYS 52 -9.238 6.522 -4.252 453 HD2 LYS 52 2HD LYS 52 -10.800 5.117 -5.442 454 HD3 LYS 52 1HD LYS 52 -11.394 6.498 -6.364 455 HE2 LYS 52 2HE LYS 52 -9.213 6.758 -7.416 456 HE3 LYS 52 1HE LYS 52 -8.575 5.425 -6.453 457 HZ1 LYS 52 3HZ LYS 52 -9.971 3.892 -7.577 458 HZ2 LYS 52 1HZ LYS 52 -9.219 4.833 -8.767 459 HZ3 LYS 52 2HZ LYS 52 -10.836 5.127 -8.357 460 H GLU 53 H GLU 53 -12.210 7.059 -1.012 461 HA GLU 53 HA GLU 53 -14.360 8.876 -0.888 462 HB2 GLU 53 2HB GLU 53 -13.450 6.528 0.720 463 HB3 GLU 53 1HB GLU 53 -14.740 7.534 1.340 464 HG2 GLU 53 2HG GLU 53 -14.730 6.098 -1.303 465 HG3 GLU 53 1HG GLU 53 -15.608 5.604 0.145 466 H ALA 54 H ALA 54 -11.462 8.448 1.070 467 HA ALA 54 HA ALA 54 -12.120 10.321 3.080 468 HB1 ALA 54 1HB ALA 54 -9.394 9.452 2.136 469 HB2 ALA 54 2HB ALA 54 -10.368 8.642 3.362 470 HB3 ALA 54 3HB ALA 54 -9.757 10.269 3.655 471 H ALA 55 H ALA 55 -10.570 10.633 -0.061 472 HA ALA 55 HA ALA 55 -9.747 13.318 0.178 473 HB1 ALA 55 1HB ALA 55 -10.560 11.830 -2.318 474 HB2 ALA 55 2HB ALA 55 -8.955 11.810 -1.588 475 HB3 ALA 55 3HB ALA 55 -9.602 13.310 -2.250 476 H GLU 56 H GLU 56 -12.805 11.838 -0.696 477 HA GLU 56 HA GLU 56 -14.095 14.277 -1.449 478 HB2 GLU 56 2HB GLU 56 -15.243 11.618 -0.585 479 HB3 GLU 56 1HB GLU 56 -16.177 12.938 -1.272 480 HG2 GLU 56 2HG GLU 56 -13.950 11.466 -2.665 481 HG3 GLU 56 1HG GLU 56 -15.674 11.193 -2.910 482 H LYS 57 H LYS 57 -13.622 12.485 1.496 483 HA LYS 57 HA LYS 57 -15.427 14.090 3.058 484 HB2 LYS 57 2HB LYS 57 -13.482 11.907 3.699 485 HB3 LYS 57 1HB LYS 57 -14.247 12.837 4.974 486 HG2 LYS 57 2HG LYS 57 -15.742 11.304 2.858 487 HG3 LYS 57 1HG LYS 57 -15.383 10.696 4.478 488 HD2 LYS 57 2HD LYS 57 -16.645 12.522 5.466 489 HD3 LYS 57 1HD LYS 57 -16.955 13.195 3.865 490 HE2 LYS 57 2HE LYS 57 -18.196 11.171 3.260 491 HE3 LYS 57 1HE LYS 57 -17.891 10.508 4.866 492 HZ1 LYS 57 3HZ LYS 57 -19.202 12.201 5.851 493 HZ2 LYS 57 1HZ LYS 57 -20.109 11.572 4.565 494 HZ3 LYS 57 2HZ LYS 57 -19.318 13.066 4.402 495 H ALA 58 H ALA 58 -12.469 14.687 1.773 496 HA ALA 58 HA ALA 58 -11.150 15.959 3.937 497 HB1 ALA 58 1HB ALA 58 -9.705 16.946 2.232 498 HB2 ALA 58 2HB ALA 58 -10.807 16.394 0.971 499 HB3 ALA 58 3HB ALA 58 -9.932 15.219 1.954 500 H ARG 59 H ARG 59 -11.990 17.589 4.982 501 HA ARG 59 HA ARG 59 -13.824 19.456 3.760 502 HB2 ARG 59 2HB ARG 59 -14.007 20.373 6.029 503 HB3 ARG 59 1HB ARG 59 -14.197 18.624 6.037 504 HG2 ARG 59 2HG ARG 59 -11.561 18.776 6.495 505 HG3 ARG 59 1HG ARG 59 -12.068 20.312 7.197 506 HD2 ARG 59 2HD ARG 59 -13.171 17.595 7.901 507 HD3 ARG 59 1HD ARG 59 -12.029 18.528 8.865 508 HE ARG 59 HE ARG 59 -14.034 20.252 8.752 509 HH11 ARG 59 1HH1 ARG 59 -14.184 16.770 9.140 510 HH12 ARG 59 2HH1 ARG 59 -15.545 16.819 10.223 511 HH21 ARG 59 1HH2 ARG 59 -15.858 20.306 10.173 512 HH22 ARG 59 2HH2 ARG 59 -16.491 18.806 10.798 513 H ASN 60 H ASN 60 -10.908 19.301 3.027 514 HA ASN 60 HA ASN 60 -10.372 22.088 2.822 515 HB2 ASN 60 2HB ASN 60 -9.600 21.955 5.073 516 HB3 ASN 60 1HB ASN 60 -8.779 20.425 4.782 517 HD21 ASN 60 1HD2 ASN 60 -8.646 23.885 4.334 518 HD22 ASN 60 2HD2 ASN 60 -6.964 23.954 3.919 519 HA PRO 61 HA PRO 61 -8.709 20.243 -0.843 520 HB2 PRO 61 2HB PRO 61 -7.319 22.460 -1.724 521 HB3 PRO 61 1HB PRO 61 -9.045 22.186 -1.975 522 HG2 PRO 61 2HG PRO 61 -7.670 23.847 0.095 523 HG3 PRO 61 1HG PRO 61 -9.146 24.195 -0.826 524 HD2 PRO 61 2HD PRO 61 -9.248 23.367 1.723 525 HD3 PRO 61 1HD PRO 61 -10.459 22.849 0.532 526 H GLU 62 H GLU 62 -6.536 22.085 1.277 527 HA GLU 62 HA GLU 62 -4.096 21.210 0.248 528 HB2 GLU 62 2HB GLU 62 -4.830 21.980 3.065 529 HB3 GLU 62 1HB GLU 62 -3.227 21.982 2.384 530 HG2 GLU 62 2HG GLU 62 -3.722 23.804 0.960 531 HG3 GLU 62 1HG GLU 62 -5.447 23.672 1.303 532 H LYS 63 H LYS 63 -6.106 20.033 2.876 533 HA LYS 63 HA LYS 63 -4.586 17.812 3.667 534 HB2 LYS 63 2HB LYS 63 -7.019 18.969 4.386 535 HB3 LYS 63 1HB LYS 63 -7.470 17.377 3.799 536 HG2 LYS 63 2HG LYS 63 -5.458 17.934 5.968 537 HG3 LYS 63 1HG LYS 63 -7.126 17.421 6.218 538 HD2 LYS 63 2HD LYS 63 -6.617 15.355 4.928 539 HD3 LYS 63 1HD LYS 63 -4.928 15.864 4.862 540 HE2 LYS 63 2HE LYS 63 -4.921 15.925 7.353 541 HE3 LYS 63 1HE LYS 63 -6.546 15.245 7.331 542 HZ1 LYS 63 3HZ LYS 63 -4.122 13.963 6.181 543 HZ2 LYS 63 1HZ LYS 63 -5.687 13.292 6.206 544 HZ3 LYS 63 2HZ LYS 63 -4.850 13.551 7.655 545 H ARG 64 H ARG 64 -7.030 18.223 1.151 546 HA ARG 64 HA ARG 64 -7.243 15.487 0.476 547 HB2 ARG 64 2HB ARG 64 -8.958 17.098 -0.209 548 HB3 ARG 64 1HB ARG 64 -7.792 17.913 -1.247 549 HG2 ARG 64 2HG ARG 64 -7.553 15.888 -2.585 550 HG3 ARG 64 1HG ARG 64 -8.713 15.064 -1.548 551 HD2 ARG 64 2HD ARG 64 -10.459 16.592 -2.237 552 HD3 ARG 64 1HD ARG 64 -9.303 17.510 -3.209 553 HE ARG 64 HE ARG 64 -9.030 15.467 -4.564 554 HH11 ARG 64 1HH1 ARG 64 -11.937 15.839 -2.650 555 HH12 ARG 64 2HH1 ARG 64 -12.851 14.704 -3.604 556 HH21 ARG 64 1HH2 ARG 64 -10.208 13.964 -5.786 557 HH22 ARG 64 2HH2 ARG 64 -11.870 13.641 -5.376 558 H GLN 65 H GLN 65 -5.109 18.067 -0.623 559 HA GLN 65 HA GLN 65 -4.015 16.820 -2.869 560 HB2 GLN 65 2HB GLN 65 -3.671 19.219 -2.055 561 HB3 GLN 65 1HB GLN 65 -2.443 18.573 -0.981 562 HG2 GLN 65 2HG GLN 65 -2.199 17.829 -3.825 563 HG3 GLN 65 1HG GLN 65 -1.935 19.526 -3.439 564 HE21 GLN 65 1HE2 GLN 65 0.235 19.383 -4.015 565 HE22 GLN 65 2HE2 GLN 65 1.405 18.573 -3.024 566 H VAL 66 H VAL 66 -3.105 16.617 0.523 567 HA VAL 66 HA VAL 66 -0.847 14.986 0.265 568 HB VAL 66 HB VAL 66 -2.858 15.049 2.529 569 HG11 VAL 66 1HG1 VAL 66 -1.015 14.216 3.919 570 HG12 VAL 66 2HG1 VAL 66 0.004 14.086 2.484 571 HG13 VAL 66 3HG1 VAL 66 -1.435 13.077 2.640 572 HG21 VAL 66 3HG2 VAL 66 -1.305 16.635 3.581 573 HG22 VAL 66 1HG2 VAL 66 -1.958 17.257 2.065 574 HG23 VAL 66 2HG2 VAL 66 -0.314 16.620 2.123 575 H ILE 67 H ILE 67 -4.233 14.102 0.881 576 HA ILE 67 HA ILE 67 -3.916 11.314 0.808 577 HB ILE 67 HB ILE 67 -6.360 12.906 0.003 578 HG12 ILE 67 2HG1 ILE 67 -5.598 11.795 2.715 579 HG13 ILE 67 1HG1 ILE 67 -5.487 13.492 2.262 580 HG21 ILE 67 1HG2 ILE 67 -6.515 10.586 -0.678 581 HG22 ILE 67 2HG2 ILE 67 -7.591 10.879 0.691 582 HG23 ILE 67 3HG2 ILE 67 -6.049 10.057 0.939 583 HD11 ILE 67 3HD1 ILE 67 -7.475 13.044 3.584 584 HD12 ILE 67 1HD1 ILE 67 -8.015 11.862 2.393 585 HD13 ILE 67 2HD1 ILE 67 -7.904 13.568 1.956 586 H ASP 68 H ASP 68 -4.661 13.658 -1.700 587 HA ASP 68 HA ASP 68 -5.131 11.931 -3.858 588 HB2 ASP 68 2HB ASP 68 -5.634 14.365 -3.809 589 HB3 ASP 68 1HB ASP 68 -3.913 14.708 -3.887 590 H LYS 69 H LYS 69 -2.131 13.459 -2.726 591 HA LYS 69 HA LYS 69 -0.430 12.442 -4.717 592 HB2 LYS 69 2HB LYS 69 0.209 14.217 -3.105 593 HB3 LYS 69 1HB LYS 69 0.262 13.011 -1.830 594 HG2 LYS 69 2HG LYS 69 2.492 13.365 -2.468 595 HG3 LYS 69 1HG LYS 69 2.030 11.828 -3.195 596 HD2 LYS 69 2HD LYS 69 1.815 14.391 -4.740 597 HD3 LYS 69 1HD LYS 69 3.350 13.537 -4.619 598 HE2 LYS 69 2HE LYS 69 0.796 12.286 -5.620 599 HE3 LYS 69 1HE LYS 69 2.011 13.014 -6.666 600 HZ1 LYS 69 3HZ LYS 69 2.252 10.601 -6.498 601 HZ2 LYS 69 1HZ LYS 69 2.500 10.728 -4.821 602 HZ3 LYS 69 2HZ LYS 69 3.618 11.408 -5.901 603 H ILE 70 H ILE 70 -1.343 11.117 -1.557 604 HA ILE 70 HA ILE 70 0.175 8.757 -1.693 605 HB ILE 70 HB ILE 70 -2.478 9.215 -0.312 606 HG12 ILE 70 2HG1 ILE 70 0.343 9.361 0.773 607 HG13 ILE 70 1HG1 ILE 70 -0.667 10.752 0.393 608 HG21 ILE 70 1HG2 ILE 70 -1.849 7.317 1.110 609 HG22 ILE 70 2HG2 ILE 70 -0.425 7.047 0.106 610 HG23 ILE 70 3HG2 ILE 70 -2.040 6.842 -0.577 611 HD11 ILE 70 3HD1 ILE 70 -2.245 10.102 2.113 612 HD12 ILE 70 1HD1 ILE 70 -0.623 10.267 2.782 613 HD13 ILE 70 2HD1 ILE 70 -1.288 8.664 2.471 614 H LEU 71 H LEU 71 -3.105 9.514 -2.764 615 HA LEU 71 HA LEU 71 -3.934 7.022 -3.647 616 HB2 LEU 71 2HB LEU 71 -4.557 9.850 -4.294 617 HB3 LEU 71 1HB LEU 71 -5.144 8.637 -5.402 618 HG LEU 71 HG LEU 71 -5.744 8.688 -2.450 619 HD11 LEU 71 1HD1 LEU 71 -6.780 10.578 -3.588 620 HD12 LEU 71 2HD1 LEU 71 -7.990 9.385 -3.116 621 HD13 LEU 71 3HD1 LEU 71 -7.462 9.491 -4.796 622 HD21 LEU 71 3HD2 LEU 71 -7.406 6.992 -3.018 623 HD22 LEU 71 1HD2 LEU 71 -5.775 6.454 -3.420 624 HD23 LEU 71 2HD2 LEU 71 -6.858 7.013 -4.694 625 H GLU 72 H GLU 72 -2.233 9.573 -5.409 626 HA GLU 72 HA GLU 72 -2.064 8.267 -7.893 627 HB2 GLU 72 2HB GLU 72 -1.667 10.708 -7.395 628 HB3 GLU 72 1HB GLU 72 -0.111 10.266 -6.727 629 HG2 GLU 72 2HG GLU 72 -0.741 9.428 -9.504 630 HG3 GLU 72 1HG GLU 72 -0.361 11.119 -9.195 631 H ASP 73 H ASP 73 0.178 8.363 -5.140 632 HA ASP 73 HA ASP 73 2.182 6.801 -6.377 633 HB2 ASP 73 2HB ASP 73 1.615 7.470 -3.503 634 HB3 ASP 73 1HB ASP 73 2.876 6.316 -3.924 635 H GLU 74 H GLU 74 -0.554 5.874 -4.290 636 HA GLU 74 HA GLU 74 0.148 3.129 -4.186 637 HB2 GLU 74 2HB GLU 74 -2.585 4.398 -3.909 638 HB3 GLU 74 1HB GLU 74 -2.181 2.745 -3.470 639 HG2 GLU 74 2HG GLU 74 -0.956 5.197 -2.225 640 HG3 GLU 74 1HG GLU 74 -2.306 4.296 -1.548 641 H GLU 75 H GLU 75 -2.018 4.957 -6.345 642 HA GLU 75 HA GLU 75 -2.810 2.850 -8.005 643 HB2 GLU 75 2HB GLU 75 -2.472 5.803 -8.397 644 HB3 GLU 75 1HB GLU 75 -2.822 4.798 -9.786 645 HG2 GLU 75 2HG GLU 75 -4.516 5.271 -7.355 646 HG3 GLU 75 1HG GLU 75 -4.883 5.659 -9.032 647 H LYS 76 H LYS 76 0.104 4.753 -7.902 648 HA LYS 76 HA LYS 76 1.283 3.871 -10.323 649 HB2 LYS 76 2HB LYS 76 1.935 5.904 -9.083 650 HB3 LYS 76 1HB LYS 76 2.559 4.902 -7.786 651 HG2 LYS 76 2HG LYS 76 4.195 3.950 -9.409 652 HG3 LYS 76 1HG LYS 76 3.630 5.142 -10.586 653 HD2 LYS 76 2HD LYS 76 4.863 5.713 -7.888 654 HD3 LYS 76 1HD LYS 76 5.610 5.983 -9.465 655 HE2 LYS 76 2HE LYS 76 4.107 7.725 -9.990 656 HE3 LYS 76 1HE LYS 76 3.021 7.291 -8.673 657 HZ1 LYS 76 3HZ LYS 76 5.778 8.325 -8.284 658 HZ2 LYS 76 1HZ LYS 76 4.609 8.054 -7.083 659 HZ3 LYS 76 2HZ LYS 76 4.382 9.280 -8.231 660 H HIS 77 H HIS 77 1.547 2.821 -6.956 661 HA HIS 77 HA HIS 77 3.496 0.843 -7.256 662 HB2 HIS 77 2HB HIS 77 1.175 0.986 -5.319 663 HB3 HIS 77 1HB HIS 77 2.504 -0.157 -5.184 664 HD2 HIS 77 2HD HIS 77 4.514 2.622 -6.101 665 HE1 HIS 77 1HE HIS 77 3.661 3.422 -2.038 666 HE2 HIS 77 2HE HIS 77 4.981 4.156 -4.057 667 H ILE 78 H ILE 78 -0.020 0.668 -7.542 668 HA ILE 78 HA ILE 78 -0.331 -2.069 -7.907 669 HB ILE 78 HB ILE 78 -1.921 0.204 -9.111 670 HG12 ILE 78 2HG1 ILE 78 -2.410 -1.517 -6.667 671 HG13 ILE 78 1HG1 ILE 78 -1.848 0.151 -6.645 672 HG21 ILE 78 1HG2 ILE 78 -2.309 -1.822 -10.392 673 HG22 ILE 78 2HG2 ILE 78 -3.727 -1.436 -9.415 674 HG23 ILE 78 3HG2 ILE 78 -2.631 -2.722 -8.908 675 HD11 ILE 78 3HD1 ILE 78 -3.943 0.888 -7.617 676 HD12 ILE 78 1HD1 ILE 78 -4.227 -0.030 -6.139 677 HD13 ILE 78 2HD1 ILE 78 -4.502 -0.782 -7.711 678 H GLU 79 H GLU 79 0.476 0.444 -10.265 679 HA GLU 79 HA GLU 79 0.229 -1.169 -12.552 680 HB2 GLU 79 2HB GLU 79 0.263 1.325 -12.543 681 HB3 GLU 79 1HB GLU 79 1.988 1.261 -12.202 682 HG2 GLU 79 2HG GLU 79 2.416 0.170 -14.278 683 HG3 GLU 79 1HG GLU 79 0.694 0.020 -14.609 684 H TRP 80 H TRP 80 2.962 -0.461 -10.413 685 HA TRP 80 HA TRP 80 4.989 -1.691 -11.921 686 HB2 TRP 80 2HB TRP 80 4.731 -1.519 -8.908 687 HB3 TRP 80 1HB TRP 80 6.199 -1.944 -9.772 688 HD1 TRP 80 HD TRP 80 5.249 0.648 -11.920 689 HE1 TRP 80 1HE TRP 80 6.112 2.964 -11.180 690 HE3 TRP 80 3HE TRP 80 6.339 -0.420 -7.041 691 HZ2 TRP 80 2HZ TRP 80 7.126 4.166 -8.832 692 HZ3 TRP 80 3HZ TRP 80 7.257 1.363 -5.616 693 HH2 TRP 80 HH TRP 80 7.641 3.608 -6.493 694 H HIS 81 H HIS 81 2.813 -2.981 -9.451 695 HA HIS 81 HA HIS 81 3.961 -5.572 -9.445 696 HB2 HIS 81 2HB HIS 81 1.394 -4.463 -8.338 697 HB3 HIS 81 1HB HIS 81 1.789 -6.176 -8.223 698 HD1 HIS 81 1HD HIS 81 3.526 -6.867 -6.482 699 HD2 HIS 81 2HD HIS 81 3.091 -2.749 -6.853 700 HE1 HIS 81 1HE HIS 81 4.857 -5.834 -4.586 701 H LYS 82 H LYS 82 1.377 -4.100 -11.310 702 HA LYS 82 HA LYS 82 0.334 -6.468 -12.425 703 HB2 LYS 82 2HB LYS 82 0.540 -3.714 -13.643 704 HB3 LYS 82 1HB LYS 82 -0.395 -5.037 -14.323 705 HG2 LYS 82 2HG LYS 82 -1.669 -5.089 -12.146 706 HG3 LYS 82 1HG LYS 82 -0.869 -3.565 -11.751 707 HD2 LYS 82 2HD LYS 82 -2.613 -4.092 -14.159 708 HD3 LYS 82 1HD LYS 82 -3.066 -3.163 -12.730 709 HE2 LYS 82 2HE LYS 82 -1.463 -1.468 -13.235 710 HE3 LYS 82 1HE LYS 82 -0.744 -2.449 -14.513 711 HZ1 LYS 82 3HZ LYS 82 -2.180 -0.719 -15.411 712 HZ2 LYS 82 1HZ LYS 82 -3.503 -1.331 -14.535 713 HZ3 LYS 82 2HZ LYS 82 -2.797 -2.258 -15.771 714 H ALA 83 H ALA 83 3.048 -4.409 -13.391 715 HA ALA 83 HA ALA 83 3.717 -5.816 -15.751 716 HB1 ALA 83 1HB ALA 83 5.868 -4.691 -15.607 717 HB2 ALA 83 2HB ALA 83 5.540 -4.238 -13.934 718 HB3 ALA 83 3HB ALA 83 4.563 -3.564 -15.240 719 H ALA 84 H ALA 84 4.627 -6.208 -12.386 720 HA ALA 84 HA ALA 84 6.512 -8.284 -12.766 721 HB1 ALA 84 1HB ALA 84 6.342 -6.914 -10.716 722 HB2 ALA 84 2HB ALA 84 6.344 -8.646 -10.390 723 HB3 ALA 84 3HB ALA 84 4.833 -7.738 -10.321 724 H SER 85 H SER 85 3.039 -8.212 -12.613 725 HA SER 85 HA SER 85 2.520 -10.865 -11.877 726 HB2 SER 85 2HB SER 85 0.908 -8.965 -13.587 727 HB3 SER 85 1HB SER 85 0.301 -10.497 -12.960 728 HG SER 85 HG SER 85 1.280 -8.337 -11.382 729 H LYS 86 H LYS 86 3.407 -9.485 -14.984 730 HA LYS 86 HA LYS 86 2.761 -11.790 -16.522 731 HB2 LYS 86 2HB LYS 86 3.061 -9.671 -17.649 732 HB3 LYS 86 1HB LYS 86 4.712 -9.541 -17.054 733 HG2 LYS 86 2HG LYS 86 5.300 -11.557 -18.365 734 HG3 LYS 86 1HG LYS 86 3.659 -11.575 -19.011 735 HD2 LYS 86 2HD LYS 86 3.991 -9.458 -20.081 736 HD3 LYS 86 1HD LYS 86 5.560 -9.257 -19.298 737 HE2 LYS 86 2HE LYS 86 6.419 -11.195 -20.509 738 HE3 LYS 86 1HE LYS 86 4.846 -11.419 -21.276 739 HZ1 LYS 86 3HZ LYS 86 5.083 -9.346 -22.404 740 HZ2 LYS 86 1HZ LYS 86 6.490 -10.248 -22.679 741 HZ3 LYS 86 2HZ LYS 86 6.507 -8.972 -21.565 742 H GLN 87 H GLN 87 5.827 -10.567 -15.206 743 HA GLN 87 HA GLN 87 6.798 -13.236 -14.777 744 HB2 GLN 87 2HB GLN 87 7.266 -12.905 -17.187 745 HB3 GLN 87 1HB GLN 87 8.207 -11.472 -16.794 746 HG2 GLN 87 2HG GLN 87 9.821 -12.804 -15.606 747 HG3 GLN 87 1HG GLN 87 8.839 -14.252 -15.834 748 HE21 GLN 87 1HE2 GLN 87 10.966 -11.956 -17.352 749 HE22 GLN 87 2HE2 GLN 87 11.225 -12.870 -18.801 750 H GLY 88 H GLY 88 7.273 -12.820 -12.698 751 HA2 GLY 88 2HA GLY 88 9.007 -10.502 -12.134 752 HA3 GLY 88 1HA GLY 88 7.859 -11.178 -10.985 753 H ASN 89 H ASN 89 11.043 -11.264 -12.163 754 HA ASN 89 HA ASN 89 11.790 -13.845 -11.220 755 HB2 ASN 89 2HB ASN 89 13.515 -11.396 -11.681 756 HB3 ASN 89 1HB ASN 89 14.107 -13.037 -11.448 757 HD21 ASN 89 1HD2 ASN 89 12.714 -10.783 -13.655 758 HD22 ASN 89 2HD2 ASN 89 12.762 -11.800 -15.054 759 H ALA 90 H ALA 90 13.066 -14.328 -9.346 760 HA ALA 90 HA ALA 90 11.866 -13.397 -7.010 761 HB1 ALA 90 1HB ALA 90 13.558 -14.672 -5.808 762 HB2 ALA 90 2HB ALA 90 14.516 -14.804 -7.284 763 HB3 ALA 90 3HB ALA 90 12.935 -15.582 -7.184 764 H GLU 91 H GLU 91 14.929 -12.458 -8.516 765 HA GLU 91 HA GLU 91 15.923 -10.889 -6.413 766 HB2 GLU 91 2HB GLU 91 16.343 -10.664 -9.397 767 HB3 GLU 91 1HB GLU 91 17.281 -9.812 -8.195 768 HG2 GLU 91 2HG GLU 91 18.599 -11.634 -8.824 769 HG3 GLU 91 1HG GLU 91 17.911 -12.080 -7.267 770 H GLN 92 H GLN 92 14.069 -10.014 -9.301 771 HA GLN 92 HA GLN 92 13.915 -7.251 -8.691 772 HB2 GLN 92 2HB GLN 92 12.159 -8.934 -10.483 773 HB3 GLN 92 1HB GLN 92 12.180 -7.176 -10.445 774 HG2 GLN 92 2HG GLN 92 14.547 -7.222 -11.140 775 HG3 GLN 92 1HG GLN 92 14.447 -8.980 -11.261 776 HE21 GLN 92 1HE2 GLN 92 13.474 -5.944 -12.646 777 HE22 GLN 92 2HE2 GLN 92 12.881 -6.592 -14.142 778 H PHE 93 H PHE 93 11.922 -10.013 -7.897 779 HA PHE 93 HA PHE 93 9.635 -8.566 -7.046 780 HB2 PHE 93 2HB PHE 93 9.703 -11.017 -7.636 781 HB3 PHE 93 1HB PHE 93 10.522 -11.300 -6.106 782 HD1 PHE 93 2HD PHE 93 7.414 -9.867 -7.538 783 HD2 PHE 93 1HD PHE 93 9.282 -11.691 -4.179 784 HE1 PHE 93 2HE PHE 93 5.231 -10.030 -6.420 785 HE2 PHE 93 1HE PHE 93 7.100 -11.860 -3.056 786 HZ PHE 93 HZ PHE 93 5.071 -11.027 -4.174 787 H ALA 94 H ALA 94 12.455 -9.893 -5.355 788 HA ALA 94 HA ALA 94 11.741 -9.109 -2.757 789 HB1 ALA 94 1HB ALA 94 14.109 -9.352 -2.215 790 HB2 ALA 94 2HB ALA 94 14.510 -9.379 -3.933 791 HB3 ALA 94 3HB ALA 94 13.557 -10.685 -3.229 792 H SER 95 H SER 95 13.559 -7.425 -5.296 793 HA SER 95 HA SER 95 14.127 -5.111 -3.808 794 HB2 SER 95 2HB SER 95 13.797 -5.442 -6.799 795 HB3 SER 95 1HB SER 95 14.620 -4.119 -5.984 796 HG SER 95 HG SER 95 16.244 -5.449 -5.400 797 H LEU 96 H LEU 96 11.415 -6.024 -5.891 798 HA LEU 96 HA LEU 96 10.143 -3.531 -6.029 799 HB2 LEU 96 2HB LEU 96 9.597 -5.451 -7.456 800 HB3 LEU 96 1HB LEU 96 8.919 -6.291 -6.079 801 HG LEU 96 HG LEU 96 7.141 -4.604 -5.906 802 HD11 LEU 96 1HD1 LEU 96 8.358 -2.676 -6.770 803 HD12 LEU 96 2HD1 LEU 96 6.868 -2.932 -7.679 804 HD13 LEU 96 3HD1 LEU 96 8.417 -3.414 -8.372 805 HD21 LEU 96 3HD2 LEU 96 5.934 -5.210 -7.926 806 HD22 LEU 96 1HD2 LEU 96 6.809 -6.600 -7.289 807 HD23 LEU 96 2HD2 LEU 96 7.440 -5.729 -8.689 808 H VAL 97 H VAL 97 9.674 -6.221 -3.765 809 HA VAL 97 HA VAL 97 7.646 -5.023 -2.229 810 HB VAL 97 HB VAL 97 9.712 -7.066 -1.382 811 HG11 VAL 97 1HG1 VAL 97 8.708 -5.997 0.559 812 HG12 VAL 97 2HG1 VAL 97 8.121 -7.653 0.396 813 HG13 VAL 97 3HG1 VAL 97 7.097 -6.301 -0.087 814 HG21 VAL 97 3HG2 VAL 97 6.906 -7.374 -2.444 815 HG22 VAL 97 1HG2 VAL 97 7.886 -8.686 -1.788 816 HG23 VAL 97 2HG2 VAL 97 8.400 -7.849 -3.252 817 H GLN 98 H GLN 98 11.171 -5.076 -1.813 818 HA GLN 98 HA GLN 98 11.302 -3.691 0.615 819 HB2 GLN 98 2HB GLN 98 13.187 -4.934 -0.345 820 HB3 GLN 98 1HB GLN 98 13.297 -3.773 -1.655 821 HG2 GLN 98 2HG GLN 98 13.841 -2.018 -0.011 822 HG3 GLN 98 1HG GLN 98 13.824 -3.246 1.257 823 HE21 GLN 98 1HE2 GLN 98 15.979 -2.932 1.766 824 HE22 GLN 98 2HE2 GLN 98 17.264 -3.458 0.726 825 H GLN 99 H GLN 99 11.429 -2.489 -2.727 826 HA GLN 99 HA GLN 99 11.811 0.234 -2.004 827 HB2 GLN 99 2HB GLN 99 10.882 -1.072 -4.561 828 HB3 GLN 99 1HB GLN 99 11.153 0.659 -4.405 829 HG2 GLN 99 2HG GLN 99 13.475 0.328 -3.965 830 HG3 GLN 99 1HG GLN 99 13.254 -1.417 -3.847 831 HE21 GLN 99 1HE2 GLN 99 14.793 -1.778 -5.447 832 HE22 GLN 99 2HE2 GLN 99 14.460 -1.487 -7.117 833 H HIS 100 H HIS 100 8.962 -1.712 -2.747 834 HA HIS 100 HA HIS 100 7.062 0.368 -2.759 835 HB2 HIS 100 2HB HIS 100 6.741 -2.032 -3.524 836 HB3 HIS 100 1HB HIS 100 6.599 -2.478 -1.832 837 HD1 HIS 100 1HD HIS 100 4.299 -2.843 -3.971 838 HD2 HIS 100 2HD HIS 100 4.620 0.291 -1.260 839 HE1 HIS 100 1HE HIS 100 1.962 -1.958 -3.632 840 H LEU 101 H LEU 101 8.345 -1.686 -0.194 841 HA LEU 101 HA LEU 101 6.666 -0.944 1.900 842 HB2 LEU 101 2HB LEU 101 8.288 -2.826 1.909 843 HB3 LEU 101 1HB LEU 101 9.592 -1.669 2.051 844 HG LEU 101 HG LEU 101 8.739 -0.961 4.241 845 HD11 LEU 101 1HD1 LEU 101 6.698 -3.136 3.846 846 HD12 LEU 101 2HD1 LEU 101 6.376 -1.403 3.888 847 HD13 LEU 101 3HD1 LEU 101 6.963 -2.226 5.334 848 HD21 LEU 101 3HD2 LEU 101 9.300 -2.991 5.472 849 HD22 LEU 101 1HD2 LEU 101 10.396 -2.753 4.110 850 HD23 LEU 101 2HD2 LEU 101 9.100 -3.944 4.002 851 H GLN 102 H GLN 102 9.609 0.575 0.690 852 HA GLN 102 HA GLN 102 10.119 2.344 2.740 853 HB2 GLN 102 2HB GLN 102 10.597 2.437 -0.222 854 HB3 GLN 102 1HB GLN 102 11.159 3.682 0.853 855 HG2 GLN 102 2HG GLN 102 11.895 0.790 1.110 856 HG3 GLN 102 1HG GLN 102 12.871 1.996 0.276 857 HE21 GLN 102 1HE2 GLN 102 14.619 1.791 1.616 858 HE22 GLN 102 2HE2 GLN 102 14.619 2.312 3.268 859 H ASP 103 H ASP 103 8.010 2.736 -0.106 860 HA ASP 103 HA ASP 103 7.396 5.458 0.477 861 HB2 ASP 103 2HB ASP 103 7.132 4.218 -1.790 862 HB3 ASP 103 1HB ASP 103 5.588 3.688 -1.141 863 H GLU 104 H GLU 104 5.816 2.378 1.140 864 HA GLU 104 HA GLU 104 3.398 3.432 2.116 865 HB2 GLU 104 2HB GLU 104 4.713 0.807 2.817 866 HB3 GLU 104 1HB GLU 104 3.039 1.230 3.144 867 HG2 GLU 104 2HG GLU 104 4.325 0.911 0.450 868 HG3 GLU 104 1HG GLU 104 3.159 -0.173 1.205 869 H GLN 105 H GLN 105 6.412 2.582 3.789 870 HA GLN 105 HA GLN 105 5.486 3.084 6.389 871 HB2 GLN 105 2HB GLN 105 8.255 3.295 5.207 872 HB3 GLN 105 1HB GLN 105 7.902 3.374 6.919 873 HG2 GLN 105 2HG GLN 105 6.928 1.104 6.787 874 HG3 GLN 105 1HG GLN 105 7.426 1.037 5.098 875 HE21 GLN 105 1HE2 GLN 105 8.212 -0.656 7.324 876 HE22 GLN 105 2HE2 GLN 105 9.933 -0.548 7.440 877 H ARG 106 H ARG 106 6.685 5.169 3.854 878 HA ARG 106 HA ARG 106 6.933 7.498 5.489 879 HB2 ARG 106 2HB ARG 106 7.864 6.873 3.046 880 HB3 ARG 106 1HB ARG 106 6.432 7.775 2.573 881 HG2 ARG 106 2HG ARG 106 8.595 8.819 4.396 882 HG3 ARG 106 1HG ARG 106 8.473 9.155 2.668 883 HD2 ARG 106 2HD ARG 106 6.396 10.302 2.975 884 HD3 ARG 106 1HD ARG 106 6.318 9.810 4.665 885 HE ARG 106 HE ARG 106 8.684 11.245 4.303 886 HH11 ARG 106 1HH1 ARG 106 5.235 11.772 4.170 887 HH12 ARG 106 2HH1 ARG 106 5.320 13.435 4.665 888 HH21 ARG 106 1HH2 ARG 106 8.830 13.446 4.953 889 HH22 ARG 106 2HH2 ARG 106 7.373 14.391 5.103 890 H HIS 107 H HIS 107 4.403 6.101 3.447 891 HA HIS 107 HA HIS 107 2.499 8.140 3.608 892 HB2 HIS 107 2HB HIS 107 2.109 5.137 3.566 893 HB3 HIS 107 1HB HIS 107 0.788 6.286 3.422 894 HD2 HIS 107 2HD HIS 107 3.392 7.852 1.388 895 HE1 HIS 107 1HE HIS 107 1.545 5.088 -1.222 896 HE2 HIS 107 2HE HIS 107 3.313 6.874 -1.016 897 H VAL 108 H VAL 108 2.985 5.342 5.731 898 HA VAL 108 HA VAL 108 1.045 5.948 7.644 899 HB VAL 108 HB VAL 108 3.679 4.518 8.043 900 HG11 VAL 108 1HG1 VAL 108 2.621 3.464 9.978 901 HG12 VAL 108 2HG1 VAL 108 1.183 4.455 9.733 902 HG13 VAL 108 3HG1 VAL 108 2.713 5.215 10.172 903 HG21 VAL 108 3HG2 VAL 108 0.938 3.470 7.369 904 HG22 VAL 108 1HG2 VAL 108 2.341 2.473 7.756 905 HG23 VAL 108 2HG2 VAL 108 2.348 3.485 6.310 906 H GLU 109 H GLU 109 4.462 6.879 7.479 907 HA GLU 109 HA GLU 109 4.771 8.071 9.952 908 HB2 GLU 109 2HB GLU 109 6.238 7.705 7.651 909 HB3 GLU 109 1HB GLU 109 6.091 9.453 7.735 910 HG2 GLU 109 2HG GLU 109 6.881 8.036 10.201 911 HG3 GLU 109 1HG GLU 109 8.045 8.109 8.884 912 H GLU 110 H GLU 110 3.582 9.466 6.929 913 HA GLU 110 HA GLU 110 3.314 12.110 7.951 914 HB2 GLU 110 2HB GLU 110 3.545 11.355 5.506 915 HB3 GLU 110 1HB GLU 110 1.828 10.983 5.582 916 HG2 GLU 110 2HG GLU 110 2.098 13.145 4.614 917 HG3 GLU 110 1HG GLU 110 1.395 13.336 6.219 918 H ILE 111 H ILE 111 1.031 9.459 7.345 919 HA ILE 111 HA ILE 111 -1.325 10.829 7.968 920 HB ILE 111 HB ILE 111 -0.735 7.873 8.201 921 HG12 ILE 111 2HG1 ILE 111 -2.094 9.455 6.009 922 HG13 ILE 111 1HG1 ILE 111 -0.441 8.855 5.941 923 HG21 ILE 111 1HG2 ILE 111 -3.149 7.531 8.108 924 HG22 ILE 111 2HG2 ILE 111 -3.402 9.277 8.124 925 HG23 ILE 111 3HG2 ILE 111 -2.697 8.476 9.529 926 HD11 ILE 111 3HD1 ILE 111 -1.913 7.419 4.681 927 HD12 ILE 111 1HD1 ILE 111 -2.940 7.185 6.096 928 HD13 ILE 111 2HD1 ILE 111 -1.291 6.556 6.090 929 H GLU 112 H GLU 112 0.855 8.974 10.081 930 HA GLU 112 HA GLU 112 -0.750 8.870 12.351 931 HB2 GLU 112 2HB GLU 112 2.249 8.982 12.046 932 HB3 GLU 112 1HB GLU 112 1.438 8.675 13.563 933 HG2 GLU 112 2HG GLU 112 0.357 6.693 12.521 934 HG3 GLU 112 1HG GLU 112 1.352 6.974 11.094 935 H LYS 113 H LYS 113 1.026 11.489 10.966 936 HA LYS 113 HA LYS 113 0.813 13.055 13.433 937 HB2 LYS 113 2HB LYS 113 2.444 13.487 10.928 938 HB3 LYS 113 1HB LYS 113 2.402 14.605 12.287 939 HG2 LYS 113 2HG LYS 113 3.337 12.960 13.754 940 HG3 LYS 113 1HG LYS 113 3.223 11.719 12.506 941 HD2 LYS 113 2HD LYS 113 4.854 12.923 11.151 942 HD3 LYS 113 1HD LYS 113 4.949 14.190 12.377 943 HE2 LYS 113 2HE LYS 113 5.829 12.630 13.989 944 HE3 LYS 113 1HE LYS 113 5.598 11.289 12.871 945 HZ1 LYS 113 3HZ LYS 113 7.904 12.072 12.991 946 HZ2 LYS 113 1HZ LYS 113 7.418 13.582 12.393 947 HZ3 LYS 113 2HZ LYS 113 7.255 12.196 11.428 948 H LYS 114 H LYS 114 -1.350 12.424 11.434 949 HA LYS 114 HA LYS 114 -3.370 13.446 11.142 950 HB2 LYS 114 2HB LYS 114 -2.650 14.920 13.075 951 HB3 LYS 114 1HB LYS 114 -2.096 16.081 11.880 952 HG2 LYS 114 2HG LYS 114 -4.569 15.800 10.984 953 HG3 LYS 114 1HG LYS 114 -4.857 15.321 12.657 954 HD2 LYS 114 2HD LYS 114 -3.630 17.910 11.715 955 HD3 LYS 114 1HD LYS 114 -5.243 17.698 12.394 956 HE2 LYS 114 2HE LYS 114 -4.328 17.093 14.527 957 HE3 LYS 114 1HE LYS 114 -2.692 17.071 13.868 958 HZ1 LYS 114 3HZ LYS 114 -2.819 19.432 13.490 959 HZ2 LYS 114 1HZ LYS 114 -3.182 19.110 15.113 960 HZ3 LYS 114 2HZ LYS 114 -4.427 19.482 14.025 961 H ASN 115 H ASN 115 -0.660 13.910 9.388 962 HA ASN 115 HA ASN 115 -1.672 15.937 7.584 963 HB2 ASN 115 2HB ASN 115 0.859 14.298 7.611 964 HB3 ASN 115 1HB ASN 115 0.445 15.386 6.289 965 HD21 ASN 115 1HD2 ASN 115 2.668 15.435 8.193 966 HD22 ASN 115 2HD2 ASN 115 2.586 16.991 8.965 Start of MODEL 18 1 H1 MET 1 H1 MET 1 -14.664 15.549 12.438 2 H2 MET 1 H2 MET 1 -13.094 16.158 12.280 3 H3 MET 1 H3 MET 1 -13.756 15.936 13.820 4 HA MET 1 HA MET 1 -12.259 14.166 13.464 5 HB2 MET 1 2HB MET 1 -14.340 13.535 14.560 6 HB3 MET 1 1HB MET 1 -15.122 13.303 13.002 7 HG2 MET 1 2HG MET 1 -13.497 11.484 12.531 8 HG3 MET 1 1HG MET 1 -12.891 11.666 14.177 9 HE1 MET 1 2HE MET 1 -15.980 10.672 11.943 10 HE2 MET 1 3HE MET 1 -16.593 12.012 12.909 11 HE3 MET 1 1HE MET 1 -17.210 10.381 13.171 12 H ASP 2 H ASP 2 -11.076 13.024 12.068 13 HA ASP 2 HA ASP 2 -12.128 12.628 9.344 14 HB2 ASP 2 2HB ASP 2 -9.898 12.947 8.445 15 HB3 ASP 2 1HB ASP 2 -10.355 14.355 9.393 16 H GLU 3 H GLU 3 -10.484 11.336 12.091 17 HA GLU 3 HA GLU 3 -10.046 9.232 12.768 18 HB2 GLU 3 2HB GLU 3 -12.337 8.749 12.051 19 HB3 GLU 3 1HB GLU 3 -11.767 8.422 10.421 20 HG2 GLU 3 2HG GLU 3 -12.226 6.389 11.739 21 HG3 GLU 3 1HG GLU 3 -10.569 6.492 11.152 22 H LEU 4 H LEU 4 -7.872 9.547 12.325 23 HA LEU 4 HA LEU 4 -6.786 8.664 9.791 24 HB2 LEU 4 2HB LEU 4 -4.643 9.409 10.636 25 HB3 LEU 4 1HB LEU 4 -5.850 10.653 10.885 26 HG LEU 4 HG LEU 4 -5.007 8.772 13.089 27 HD11 LEU 4 1HD1 LEU 4 -3.515 10.547 13.877 28 HD12 LEU 4 2HD1 LEU 4 -3.868 11.487 12.428 29 HD13 LEU 4 3HD1 LEU 4 -3.022 9.946 12.296 30 HD21 LEU 4 3HD2 LEU 4 -5.869 10.548 14.537 31 HD22 LEU 4 1HD2 LEU 4 -7.115 9.956 13.440 32 HD23 LEU 4 2HD2 LEU 4 -6.315 11.492 13.118 33 H ARG 5 H ARG 5 -7.402 7.360 12.896 34 HA ARG 5 HA ARG 5 -5.233 5.506 12.964 35 HB2 ARG 5 2HB ARG 5 -6.466 6.417 14.963 36 HB3 ARG 5 1HB ARG 5 -7.810 5.370 14.524 37 HG2 ARG 5 2HG ARG 5 -6.371 3.419 14.769 38 HG3 ARG 5 1HG ARG 5 -5.025 4.465 15.222 39 HD2 ARG 5 2HD ARG 5 -7.592 3.983 16.716 40 HD3 ARG 5 1HD ARG 5 -5.948 3.626 17.241 41 HE ARG 5 HE ARG 5 -7.202 6.281 17.111 42 HH11 ARG 5 1HH1 ARG 5 -4.470 4.287 18.012 43 HH12 ARG 5 2HH1 ARG 5 -3.785 5.470 19.080 44 HH21 ARG 5 1HH2 ARG 5 -6.312 7.849 18.496 45 HH22 ARG 5 2HH2 ARG 5 -4.827 7.509 19.352 46 H GLU 6 H GLU 6 -8.685 5.286 12.189 47 HA GLU 6 HA GLU 6 -8.741 2.526 11.626 48 HB2 GLU 6 2HB GLU 6 -10.774 3.856 11.946 49 HB3 GLU 6 1HB GLU 6 -10.429 4.757 10.478 50 HG2 GLU 6 2HG GLU 6 -10.703 2.729 9.160 51 HG3 GLU 6 1HG GLU 6 -11.031 1.813 10.628 52 H LEU 7 H LEU 7 -7.943 5.319 9.654 53 HA LEU 7 HA LEU 7 -7.730 3.937 7.182 54 HB2 LEU 7 2HB LEU 7 -8.021 6.391 7.393 55 HB3 LEU 7 1HB LEU 7 -6.399 6.506 8.051 56 HG LEU 7 HG LEU 7 -5.506 5.629 5.904 57 HD11 LEU 7 1HD1 LEU 7 -7.511 4.411 5.188 58 HD12 LEU 7 2HD1 LEU 7 -6.950 5.540 3.954 59 HD13 LEU 7 3HD1 LEU 7 -8.348 5.946 4.950 60 HD21 LEU 7 3HD2 LEU 7 -5.898 7.685 4.622 61 HD22 LEU 7 1HD2 LEU 7 -5.565 8.020 6.320 62 HD23 LEU 7 2HD2 LEU 7 -7.218 8.104 5.712 63 H LEU 8 H LEU 8 -5.500 4.675 9.787 64 HA LEU 8 HA LEU 8 -3.055 4.075 8.626 65 HB2 LEU 8 2HB LEU 8 -3.508 5.023 10.905 66 HB3 LEU 8 1HB LEU 8 -3.878 3.404 11.443 67 HG LEU 8 HG LEU 8 -1.587 2.690 10.933 68 HD11 LEU 8 1HD1 LEU 8 0.117 4.303 10.335 69 HD12 LEU 8 2HD1 LEU 8 -1.091 5.586 10.269 70 HD13 LEU 8 3HD1 LEU 8 -1.147 4.260 9.106 71 HD21 LEU 8 3HD2 LEU 8 -0.467 3.935 12.721 72 HD22 LEU 8 1HD2 LEU 8 -2.115 3.491 13.171 73 HD23 LEU 8 2HD2 LEU 8 -1.750 5.145 12.678 74 H LYS 9 H LYS 9 -5.496 1.938 9.937 75 HA LYS 9 HA LYS 9 -4.069 -0.458 9.999 76 HB2 LYS 9 2HB LYS 9 -6.975 0.147 9.588 77 HB3 LYS 9 1HB LYS 9 -6.390 -1.500 9.437 78 HG2 LYS 9 2HG LYS 9 -5.308 -0.888 11.804 79 HG3 LYS 9 1HG LYS 9 -6.713 0.186 11.841 80 HD2 LYS 9 2HD LYS 9 -8.168 -1.727 11.322 81 HD3 LYS 9 1HD LYS 9 -6.765 -2.790 11.319 82 HE2 LYS 9 2HE LYS 9 -7.710 -3.105 13.422 83 HE3 LYS 9 1HE LYS 9 -6.384 -1.984 13.717 84 HZ1 LYS 9 3HZ LYS 9 -8.635 -1.493 14.773 85 HZ2 LYS 9 1HZ LYS 9 -9.131 -1.010 13.227 86 HZ3 LYS 9 2HZ LYS 9 -7.842 -0.211 13.995 87 H ALA 10 H ALA 10 -5.550 1.199 7.266 88 HA ALA 10 HA ALA 10 -5.511 -0.972 5.457 89 HB1 ALA 10 1HB ALA 10 -5.764 0.703 3.701 90 HB2 ALA 10 2HB ALA 10 -5.362 1.981 4.849 91 HB3 ALA 10 3HB ALA 10 -6.842 1.041 5.057 92 H GLU 11 H GLU 11 -3.194 1.639 6.056 93 HA GLU 11 HA GLU 11 -1.299 0.825 4.129 94 HB2 GLU 11 2HB GLU 11 -0.806 2.342 6.701 95 HB3 GLU 11 1HB GLU 11 0.269 2.278 5.312 96 HG2 GLU 11 2HG GLU 11 -2.479 3.505 5.365 97 HG3 GLU 11 1HG GLU 11 -0.947 4.376 5.399 98 H GLN 12 H GLN 12 -1.687 0.115 7.567 99 HA GLN 12 HA GLN 12 0.719 -1.363 7.840 100 HB2 GLN 12 2HB GLN 12 -1.804 -1.366 9.499 101 HB3 GLN 12 1HB GLN 12 -0.328 -2.204 9.951 102 HG2 GLN 12 2HG GLN 12 0.860 -0.032 9.920 103 HG3 GLN 12 1HG GLN 12 -0.680 0.764 9.595 104 HE21 GLN 12 1HE2 GLN 12 -2.255 0.814 11.217 105 HE22 GLN 12 2HE2 GLN 12 -1.860 0.534 12.874 106 H GLN 13 H GLN 13 -2.494 -2.213 6.786 107 HA GLN 13 HA GLN 13 -2.382 -4.991 7.123 108 HB2 GLN 13 2HB GLN 13 -4.428 -3.700 6.518 109 HB3 GLN 13 1HB GLN 13 -3.768 -3.474 4.906 110 HG2 GLN 13 2HG GLN 13 -3.707 -5.981 4.701 111 HG3 GLN 13 1HG GLN 13 -4.630 -6.046 6.198 112 HE21 GLN 13 1HE2 GLN 13 -4.687 -5.237 2.835 113 HE22 GLN 13 2HE2 GLN 13 -6.398 -5.061 2.693 114 H GLY 14 H GLY 14 -1.399 -2.936 4.438 115 HA2 GLY 14 2HA GLY 14 -0.508 -5.087 2.786 116 HA3 GLY 14 1HA GLY 14 -0.142 -3.386 2.555 117 H ILE 15 H ILE 15 1.084 -2.882 5.042 118 HA ILE 15 HA ILE 15 3.737 -3.595 4.539 119 HB ILE 15 HB ILE 15 2.421 -2.688 7.105 120 HG12 ILE 15 2HG1 ILE 15 4.075 -1.213 5.044 121 HG13 ILE 15 1HG1 ILE 15 2.329 -1.092 5.236 122 HG21 ILE 15 1HG2 ILE 15 5.367 -2.868 6.481 123 HG22 ILE 15 2HG2 ILE 15 4.489 -3.873 7.632 124 HG23 ILE 15 3HG2 ILE 15 4.661 -2.142 7.926 125 HD11 ILE 15 3HD1 ILE 15 2.646 -0.127 7.457 126 HD12 ILE 15 1HD1 ILE 15 3.458 0.820 6.210 127 HD13 ILE 15 2HD1 ILE 15 4.394 -0.248 7.257 128 H LYS 16 H LYS 16 1.359 -5.006 6.743 129 HA LYS 16 HA LYS 16 2.971 -6.949 7.947 130 HB2 LYS 16 2HB LYS 16 0.595 -6.255 8.542 131 HB3 LYS 16 1HB LYS 16 0.058 -7.298 7.239 132 HG2 LYS 16 2HG LYS 16 0.904 -9.240 8.336 133 HG3 LYS 16 1HG LYS 16 1.708 -8.256 9.563 134 HD2 LYS 16 2HD LYS 16 -0.481 -7.444 10.327 135 HD3 LYS 16 1HD LYS 16 -1.272 -8.455 9.117 136 HE2 LYS 16 2HE LYS 16 -0.478 -10.449 10.175 137 HE3 LYS 16 1HE LYS 16 0.537 -9.522 11.279 138 HZ1 LYS 16 3HZ LYS 16 -1.454 -8.585 12.268 139 HZ2 LYS 16 1HZ LYS 16 -1.488 -10.279 12.354 140 HZ3 LYS 16 2HZ LYS 16 -2.438 -9.466 11.206 141 H ILE 17 H ILE 17 0.965 -7.096 5.046 142 HA ILE 17 HA ILE 17 1.569 -9.733 4.272 143 HB ILE 17 HB ILE 17 0.813 -7.337 2.573 144 HG12 ILE 17 2HG1 ILE 17 -0.873 -9.630 3.615 145 HG13 ILE 17 1HG1 ILE 17 -0.835 -8.013 4.310 146 HG21 ILE 17 1HG2 ILE 17 0.786 -10.273 1.846 147 HG22 ILE 17 2HG2 ILE 17 1.901 -9.061 1.215 148 HG23 ILE 17 3HG2 ILE 17 0.180 -8.952 0.844 149 HD11 ILE 17 3HD1 ILE 17 -1.703 -7.097 2.220 150 HD12 ILE 17 1HD1 ILE 17 -2.780 -8.317 2.898 151 HD13 ILE 17 2HD1 ILE 17 -1.743 -8.721 1.530 152 H LEU 18 H LEU 18 3.084 -6.640 3.390 153 HA LEU 18 HA LEU 18 4.862 -7.633 1.487 154 HB2 LEU 18 2HB LEU 18 5.141 -5.248 3.311 155 HB3 LEU 18 1HB LEU 18 6.173 -5.565 1.928 156 HG LEU 18 HG LEU 18 3.191 -5.106 1.790 157 HD11 LEU 18 1HD1 LEU 18 5.464 -3.268 1.068 158 HD12 LEU 18 2HD1 LEU 18 4.391 -3.090 2.454 159 HD13 LEU 18 3HD1 LEU 18 3.748 -2.948 0.819 160 HD21 LEU 18 3HD2 LEU 18 5.257 -5.349 -0.393 161 HD22 LEU 18 1HD2 LEU 18 3.554 -4.950 -0.622 162 HD23 LEU 18 2HD2 LEU 18 4.014 -6.536 -0.003 163 H LYS 19 H LYS 19 5.315 -7.226 4.991 164 HA LYS 19 HA LYS 19 7.988 -8.101 5.030 165 HB2 LYS 19 2HB LYS 19 5.836 -7.925 7.108 166 HB3 LYS 19 1HB LYS 19 7.432 -8.544 7.470 167 HG2 LYS 19 2HG LYS 19 6.751 -5.800 6.463 168 HG3 LYS 19 1HG LYS 19 7.340 -6.233 8.061 169 HD2 LYS 19 2HD LYS 19 8.883 -6.636 5.507 170 HD3 LYS 19 1HD LYS 19 9.090 -5.263 6.596 171 HE2 LYS 19 2HE LYS 19 9.489 -8.154 7.360 172 HE3 LYS 19 1HE LYS 19 10.783 -7.043 6.919 173 HZ1 LYS 19 3HZ LYS 19 10.645 -7.133 9.279 174 HZ2 LYS 19 1HZ LYS 19 8.973 -6.843 9.265 175 HZ3 LYS 19 2HZ LYS 19 10.047 -5.620 8.797 176 H GLU 20 H GLU 20 4.901 -9.775 5.228 177 HA GLU 20 HA GLU 20 5.931 -12.322 5.857 178 HB2 GLU 20 2HB GLU 20 3.421 -11.089 5.346 179 HB3 GLU 20 1HB GLU 20 3.535 -12.508 4.326 180 HG2 GLU 20 2HG GLU 20 3.960 -12.455 7.301 181 HG3 GLU 20 1HG GLU 20 2.488 -12.967 6.484 182 H VAL 21 H VAL 21 5.196 -10.683 2.813 183 HA VAL 21 HA VAL 21 5.755 -12.799 1.049 184 HB VAL 21 HB VAL 21 6.109 -9.821 0.620 185 HG11 VAL 21 1HG1 VAL 21 5.930 -12.036 -1.418 186 HG12 VAL 21 2HG1 VAL 21 7.386 -11.129 -1.010 187 HG13 VAL 21 3HG1 VAL 21 6.019 -10.309 -1.764 188 HG21 VAL 21 3HG2 VAL 21 3.935 -9.941 -0.482 189 HG22 VAL 21 1HG2 VAL 21 3.825 -10.449 1.204 190 HG23 VAL 21 2HG2 VAL 21 3.824 -11.654 -0.084 191 H LEU 22 H LEU 22 7.861 -10.378 2.537 192 HA LEU 22 HA LEU 22 10.208 -10.924 1.116 193 HB2 LEU 22 2HB LEU 22 9.822 -9.002 2.660 194 HB3 LEU 22 1HB LEU 22 9.987 -10.103 4.012 195 HG LEU 22 HG LEU 22 12.312 -10.581 3.319 196 HD11 LEU 22 1HD1 LEU 22 13.383 -9.125 1.662 197 HD12 LEU 22 2HD1 LEU 22 11.810 -8.428 1.270 198 HD13 LEU 22 3HD1 LEU 22 12.126 -10.132 0.947 199 HD21 LEU 22 3HD2 LEU 22 11.840 -8.863 4.991 200 HD22 LEU 22 1HD2 LEU 22 11.710 -7.651 3.715 201 HD23 LEU 22 2HD2 LEU 22 13.254 -8.450 4.021 202 H LYS 23 H LYS 23 8.847 -12.445 3.982 203 HA LYS 23 HA LYS 23 10.987 -14.240 4.502 204 HB2 LYS 23 2HB LYS 23 8.992 -13.635 6.000 205 HB3 LYS 23 1HB LYS 23 8.075 -14.788 5.055 206 HG2 LYS 23 2HG LYS 23 9.656 -16.555 5.691 207 HG3 LYS 23 1HG LYS 23 10.532 -15.394 6.685 208 HD2 LYS 23 2HD LYS 23 9.198 -16.253 8.308 209 HD3 LYS 23 1HD LYS 23 8.082 -15.037 7.692 210 HE2 LYS 23 2HE LYS 23 8.141 -17.943 6.880 211 HE3 LYS 23 1HE LYS 23 6.999 -17.216 8.005 212 HZ1 LYS 23 3HZ LYS 23 6.243 -15.764 6.172 213 HZ2 LYS 23 1HZ LYS 23 5.982 -17.416 5.870 214 HZ3 LYS 23 2HZ LYS 23 7.264 -16.623 5.111 215 H LYS 24 H LYS 24 7.923 -14.550 2.835 216 HA LYS 24 HA LYS 24 8.162 -17.232 2.046 217 HB2 LYS 24 2HB LYS 24 6.540 -14.957 0.910 218 HB3 LYS 24 1HB LYS 24 6.377 -16.622 0.370 219 HG2 LYS 24 2HG LYS 24 5.698 -17.310 2.589 220 HG3 LYS 24 1HG LYS 24 5.942 -15.670 3.193 221 HD2 LYS 24 2HD LYS 24 4.199 -14.848 1.705 222 HD3 LYS 24 1HD LYS 24 3.974 -16.472 1.055 223 HE2 LYS 24 2HE LYS 24 3.547 -15.681 3.931 224 HE3 LYS 24 1HE LYS 24 2.268 -15.852 2.731 225 HZ1 LYS 24 3HZ LYS 24 4.089 -18.016 3.648 226 HZ2 LYS 24 1HZ LYS 24 2.857 -18.185 2.489 227 HZ3 LYS 24 2HZ LYS 24 2.469 -17.822 4.101 228 H ALA 25 H ALA 25 9.466 -14.333 0.657 229 HA ALA 25 HA ALA 25 10.034 -15.284 -1.929 230 HB1 ALA 25 1HB ALA 25 10.159 -12.918 -1.331 231 HB2 ALA 25 2HB ALA 25 11.671 -13.479 -2.043 232 HB3 ALA 25 3HB ALA 25 11.549 -13.249 -0.297 233 H LYS 26 H LYS 26 11.807 -15.515 1.121 234 HA LYS 26 HA LYS 26 14.095 -16.782 -0.054 235 HB2 LYS 26 2HB LYS 26 13.815 -15.500 2.246 236 HB3 LYS 26 1HB LYS 26 13.396 -17.099 2.842 237 HG2 LYS 26 2HG LYS 26 15.970 -16.383 1.445 238 HG3 LYS 26 1HG LYS 26 15.766 -16.546 3.189 239 HD2 LYS 26 2HD LYS 26 15.220 -18.891 2.936 240 HD3 LYS 26 1HD LYS 26 15.292 -18.744 1.177 241 HE2 LYS 26 2HE LYS 26 17.683 -18.115 1.384 242 HE3 LYS 26 1HE LYS 26 17.572 -18.403 3.123 243 HZ1 LYS 26 3HZ LYS 26 18.450 -20.353 2.117 244 HZ2 LYS 26 1HZ LYS 26 17.217 -20.398 0.952 245 HZ3 LYS 26 2HZ LYS 26 16.861 -20.705 2.576 246 H GLU 27 H GLU 27 11.144 -17.825 1.557 247 HA GLU 27 HA GLU 27 11.639 -20.568 1.701 248 HB2 GLU 27 2HB GLU 27 9.037 -19.093 1.248 249 HB3 GLU 27 1HB GLU 27 9.154 -20.798 1.668 250 HG2 GLU 27 2HG GLU 27 10.186 -20.251 3.780 251 HG3 GLU 27 1HG GLU 27 10.232 -18.543 3.350 252 H GLY 28 H GLY 28 10.178 -18.644 -0.905 253 HA2 GLY 28 2HA GLY 28 10.526 -18.859 -3.172 254 HA3 GLY 28 1HA GLY 28 11.613 -20.194 -2.836 255 H ASP 29 H ASP 29 8.112 -19.596 -2.449 256 HA ASP 29 HA ASP 29 7.668 -22.074 -3.975 257 HB2 ASP 29 2HB ASP 29 6.686 -22.081 -1.703 258 HB3 ASP 29 1HB ASP 29 5.733 -20.662 -2.124 259 H GLU 30 H GLU 30 6.876 -21.872 -5.956 260 HA GLU 30 HA GLU 30 6.662 -19.359 -7.177 261 HB2 GLU 30 2HB GLU 30 5.794 -22.092 -8.097 262 HB3 GLU 30 1HB GLU 30 5.663 -20.664 -9.111 263 HG2 GLU 30 2HG GLU 30 7.644 -21.769 -9.742 264 HG3 GLU 30 1HG GLU 30 8.131 -20.347 -8.824 265 H GLN 31 H GLN 31 4.103 -21.685 -6.334 266 HA GLN 31 HA GLN 31 1.960 -20.121 -7.272 267 HB2 GLN 31 2HB GLN 31 2.187 -22.431 -5.383 268 HB3 GLN 31 1HB GLN 31 0.658 -21.577 -5.525 269 HG2 GLN 31 2HG GLN 31 0.654 -23.510 -6.952 270 HG3 GLN 31 1HG GLN 31 0.631 -22.048 -7.931 271 HE21 GLN 31 1HE2 GLN 31 1.431 -23.033 -9.737 272 HE22 GLN 31 2HE2 GLN 31 3.074 -23.582 -9.867 273 H GLU 32 H GLU 32 3.472 -20.391 -4.094 274 HA GLU 32 HA GLU 32 1.751 -18.689 -2.680 275 HB2 GLU 32 2HB GLU 32 3.472 -20.129 -1.640 276 HB3 GLU 32 1HB GLU 32 4.725 -19.085 -2.295 277 HG2 GLU 32 2HG GLU 32 4.436 -18.518 -0.016 278 HG3 GLU 32 1HG GLU 32 3.748 -17.210 -0.976 279 H LEU 33 H LEU 33 4.775 -17.951 -4.419 280 HA LEU 33 HA LEU 33 4.829 -15.204 -3.842 281 HB2 LEU 33 2HB LEU 33 5.968 -16.728 -6.181 282 HB3 LEU 33 1HB LEU 33 6.311 -15.041 -5.861 283 HG LEU 33 HG LEU 33 7.002 -17.341 -4.028 284 HD11 LEU 33 1HD1 LEU 33 9.312 -16.874 -4.658 285 HD12 LEU 33 2HD1 LEU 33 8.758 -15.646 -5.797 286 HD13 LEU 33 3HD1 LEU 33 8.348 -17.341 -6.058 287 HD21 LEU 33 3HD2 LEU 33 6.535 -15.243 -2.837 288 HD22 LEU 33 1HD2 LEU 33 7.727 -14.422 -3.844 289 HD23 LEU 33 2HD2 LEU 33 8.236 -15.700 -2.739 290 H ALA 34 H ALA 34 3.358 -16.976 -6.526 291 HA ALA 34 HA ALA 34 2.528 -14.744 -8.021 292 HB1 ALA 34 1HB ALA 34 0.974 -16.275 -9.112 293 HB2 ALA 34 2HB ALA 34 1.229 -17.462 -7.836 294 HB3 ALA 34 3HB ALA 34 2.556 -17.027 -8.914 295 H ARG 35 H ARG 35 0.936 -16.592 -5.458 296 HA ARG 35 HA ARG 35 -1.501 -15.148 -5.475 297 HB2 ARG 35 2HB ARG 35 -1.213 -17.368 -4.420 298 HB3 ARG 35 1HB ARG 35 -0.191 -16.644 -3.197 299 HG2 ARG 35 2HG ARG 35 -2.007 -15.377 -2.314 300 HG3 ARG 35 1HG ARG 35 -3.055 -15.853 -3.650 301 HD2 ARG 35 2HD ARG 35 -3.524 -17.101 -1.577 302 HD3 ARG 35 1HD ARG 35 -3.033 -18.148 -2.908 303 HE ARG 35 HE ARG 35 -0.773 -17.457 -1.362 304 HH11 ARG 35 1HH1 ARG 35 -3.701 -19.378 -1.151 305 HH12 ARG 35 2HH1 ARG 35 -2.985 -20.577 -0.117 306 HH21 ARG 35 1HH2 ARG 35 0.158 -19.002 0.008 307 HH22 ARG 35 2HH2 ARG 35 -0.796 -20.361 0.557 308 H LEU 36 H LEU 36 1.521 -14.781 -3.731 309 HA LEU 36 HA LEU 36 0.784 -12.758 -1.951 310 HB2 LEU 36 2HB LEU 36 3.439 -13.277 -3.282 311 HB3 LEU 36 1HB LEU 36 3.208 -12.135 -1.972 312 HG LEU 36 HG LEU 36 2.731 -15.106 -1.804 313 HD11 LEU 36 1HD1 LEU 36 5.093 -14.532 -2.003 314 HD12 LEU 36 2HD1 LEU 36 4.711 -15.115 -0.384 315 HD13 LEU 36 3HD1 LEU 36 4.934 -13.389 -0.670 316 HD21 LEU 36 3HD2 LEU 36 2.438 -14.705 0.582 317 HD22 LEU 36 1HD2 LEU 36 1.242 -13.812 -0.355 318 HD23 LEU 36 2HD2 LEU 36 2.635 -12.972 0.325 319 H ASN 37 H ASN 37 2.132 -12.487 -5.234 320 HA ASN 37 HA ASN 37 2.278 -9.701 -5.351 321 HB2 ASN 37 2HB ASN 37 3.174 -11.337 -7.077 322 HB3 ASN 37 1HB ASN 37 1.529 -11.456 -7.696 323 HD21 ASN 37 1HD2 ASN 37 1.805 -10.502 -9.647 324 HD22 ASN 37 2HD2 ASN 37 2.286 -8.853 -9.856 325 H GLN 38 H GLN 38 -0.358 -11.881 -6.250 326 HA GLN 38 HA GLN 38 -2.173 -9.930 -7.114 327 HB2 GLN 38 2HB GLN 38 -2.106 -12.771 -6.629 328 HB3 GLN 38 1HB GLN 38 -3.627 -12.088 -6.095 329 HG2 GLN 38 2HG GLN 38 -2.490 -11.543 -8.812 330 HG3 GLN 38 1HG GLN 38 -3.521 -12.930 -8.472 331 HE21 GLN 38 1HE2 GLN 38 -5.681 -12.616 -8.044 332 HE22 GLN 38 2HE2 GLN 38 -6.494 -11.119 -8.362 333 H GLU 39 H GLU 39 -1.560 -11.360 -3.952 334 HA GLU 39 HA GLU 39 -3.751 -10.280 -2.565 335 HB2 GLU 39 2HB GLU 39 -2.163 -12.062 -1.744 336 HB3 GLU 39 1HB GLU 39 -0.991 -10.789 -1.444 337 HG2 GLU 39 2HG GLU 39 -2.040 -11.285 0.615 338 HG3 GLU 39 1HG GLU 39 -2.658 -9.724 0.078 339 H ILE 40 H ILE 40 -0.486 -9.047 -3.152 340 HA ILE 40 HA ILE 40 -0.707 -6.677 -1.649 341 HB ILE 40 HB ILE 40 0.984 -7.165 -4.111 342 HG12 ILE 40 2HG1 ILE 40 1.741 -7.419 -1.193 343 HG13 ILE 40 1HG1 ILE 40 1.315 -8.782 -2.222 344 HG21 ILE 40 1HG2 ILE 40 1.261 -5.094 -1.932 345 HG22 ILE 40 2HG2 ILE 40 0.758 -4.793 -3.596 346 HG23 ILE 40 3HG2 ILE 40 2.395 -5.357 -3.258 347 HD11 ILE 40 3HD1 ILE 40 3.213 -8.250 -3.681 348 HD12 ILE 40 1HD1 ILE 40 3.714 -8.585 -2.022 349 HD13 ILE 40 2HD1 ILE 40 3.649 -6.922 -2.605 350 H VAL 41 H VAL 41 -1.320 -7.335 -5.093 351 HA VAL 41 HA VAL 41 -2.061 -4.744 -5.858 352 HB VAL 41 HB VAL 41 -3.251 -7.303 -6.943 353 HG11 VAL 41 1HG1 VAL 41 -3.536 -6.002 -9.004 354 HG12 VAL 41 2HG1 VAL 41 -2.911 -4.574 -8.177 355 HG13 VAL 41 3HG1 VAL 41 -4.429 -5.302 -7.653 356 HG21 VAL 41 3HG2 VAL 41 -0.827 -7.447 -6.990 357 HG22 VAL 41 1HG2 VAL 41 -0.734 -5.871 -7.776 358 HG23 VAL 41 2HG2 VAL 41 -1.467 -7.236 -8.619 359 H LYS 42 H LYS 42 -4.009 -7.417 -4.578 360 HA LYS 42 HA LYS 42 -6.487 -6.071 -4.690 361 HB2 LYS 42 2HB LYS 42 -5.452 -8.553 -3.524 362 HB3 LYS 42 1HB LYS 42 -6.777 -7.845 -2.616 363 HG2 LYS 42 2HG LYS 42 -7.672 -9.435 -4.152 364 HG3 LYS 42 1HG LYS 42 -8.133 -7.823 -4.693 365 HD2 LYS 42 2HD LYS 42 -5.677 -9.122 -5.805 366 HD3 LYS 42 1HD LYS 42 -7.264 -9.596 -6.408 367 HE2 LYS 42 2HE LYS 42 -7.704 -7.165 -6.873 368 HE3 LYS 42 1HE LYS 42 -6.014 -6.854 -6.475 369 HZ1 LYS 42 3HZ LYS 42 -6.230 -7.078 -8.838 370 HZ2 LYS 42 1HZ LYS 42 -7.038 -8.563 -8.682 371 HZ3 LYS 42 2HZ LYS 42 -5.404 -8.438 -8.256 372 H ALA 43 H ALA 43 -3.956 -6.180 -2.245 373 HA ALA 43 HA ALA 43 -5.439 -4.992 -0.150 374 HB1 ALA 43 1HB ALA 43 -3.332 -6.187 0.228 375 HB2 ALA 43 2HB ALA 43 -3.280 -4.556 0.896 376 HB3 ALA 43 3HB ALA 43 -2.460 -4.911 -0.625 377 H GLU 44 H GLU 44 -3.208 -3.603 -2.548 378 HA GLU 44 HA GLU 44 -3.549 -0.910 -1.803 379 HB2 GLU 44 2HB GLU 44 -2.853 -2.122 -4.485 380 HB3 GLU 44 1HB GLU 44 -2.725 -0.410 -4.107 381 HG2 GLU 44 2HG GLU 44 -1.289 -2.467 -2.479 382 HG3 GLU 44 1HG GLU 44 -0.621 -1.859 -3.992 383 H LYS 45 H LYS 45 -5.222 -2.948 -4.150 384 HA LYS 45 HA LYS 45 -6.885 -1.017 -5.296 385 HB2 LYS 45 2HB LYS 45 -6.447 -3.583 -5.818 386 HB3 LYS 45 1HB LYS 45 -7.881 -3.802 -4.829 387 HG2 LYS 45 2HG LYS 45 -7.798 -2.022 -7.251 388 HG3 LYS 45 1HG LYS 45 -8.270 -3.720 -7.300 389 HD2 LYS 45 2HD LYS 45 -10.089 -3.237 -5.712 390 HD3 LYS 45 1HD LYS 45 -9.623 -1.534 -5.717 391 HE2 LYS 45 2HE LYS 45 -10.036 -1.457 -8.145 392 HE3 LYS 45 1HE LYS 45 -10.577 -3.133 -8.086 393 HZ1 LYS 45 3HZ LYS 45 -12.364 -2.466 -6.599 394 HZ2 LYS 45 1HZ LYS 45 -12.436 -1.599 -8.058 395 HZ3 LYS 45 2HZ LYS 45 -11.836 -0.851 -6.660 396 H GLN 46 H GLN 46 -7.238 -2.966 -2.388 397 HA GLN 46 HA GLN 46 -9.871 -2.259 -1.702 398 HB2 GLN 46 2HB GLN 46 -8.506 -4.107 -0.706 399 HB3 GLN 46 1HB GLN 46 -7.571 -2.900 0.154 400 HG2 GLN 46 2HG GLN 46 -9.632 -2.174 1.302 401 HG3 GLN 46 1HG GLN 46 -10.498 -3.488 0.502 402 HE21 GLN 46 1HE2 GLN 46 -8.184 -2.643 2.938 403 HE22 GLN 46 2HE2 GLN 46 -8.117 -4.193 3.707 404 H GLY 47 H GLY 47 -6.743 -0.861 -0.774 405 HA2 GLY 47 2HA GLY 47 -7.855 1.173 0.875 406 HA3 GLY 47 1HA GLY 47 -6.209 1.116 0.268 407 H VAL 48 H VAL 48 -6.624 1.212 -2.461 408 HA VAL 48 HA VAL 48 -6.789 3.968 -2.868 409 HB VAL 48 HB VAL 48 -7.031 1.735 -4.891 410 HG11 VAL 48 1HG1 VAL 48 -6.544 4.679 -5.336 411 HG12 VAL 48 2HG1 VAL 48 -7.975 3.769 -5.824 412 HG13 VAL 48 3HG1 VAL 48 -6.413 3.425 -6.571 413 HG21 VAL 48 3HG2 VAL 48 -4.686 3.461 -4.098 414 HG22 VAL 48 1HG2 VAL 48 -4.680 2.212 -5.342 415 HG23 VAL 48 2HG2 VAL 48 -4.919 1.771 -3.651 416 H LYS 49 H LYS 49 -9.250 1.473 -3.231 417 HA LYS 49 HA LYS 49 -11.251 2.949 -4.479 418 HB2 LYS 49 2HB LYS 49 -11.465 0.561 -4.068 419 HB3 LYS 49 1HB LYS 49 -11.478 0.831 -2.332 420 HG2 LYS 49 2HG LYS 49 -13.590 2.085 -2.579 421 HG3 LYS 49 1HG LYS 49 -13.590 1.687 -4.298 422 HD2 LYS 49 2HD LYS 49 -13.766 -0.653 -3.816 423 HD3 LYS 49 1HD LYS 49 -13.529 -0.364 -2.092 424 HE2 LYS 49 2HE LYS 49 -15.871 0.586 -3.741 425 HE3 LYS 49 1HE LYS 49 -15.883 -0.778 -2.623 426 HZ1 LYS 49 3HZ LYS 49 -15.381 0.757 -0.815 427 HZ2 LYS 49 1HZ LYS 49 -16.820 1.192 -1.597 428 HZ3 LYS 49 2HZ LYS 49 -15.399 2.068 -1.896 429 H VAL 50 H VAL 50 -10.526 2.615 -1.035 430 HA VAL 50 HA VAL 50 -12.605 4.366 -0.167 431 HB VAL 50 HB VAL 50 -10.124 3.505 1.339 432 HG11 VAL 50 1HG1 VAL 50 -11.240 5.432 2.344 433 HG12 VAL 50 2HG1 VAL 50 -11.431 3.991 3.345 434 HG13 VAL 50 3HG1 VAL 50 -12.770 4.551 2.344 435 HG21 VAL 50 3HG2 VAL 50 -11.553 1.756 2.305 436 HG22 VAL 50 1HG2 VAL 50 -11.370 1.573 0.561 437 HG23 VAL 50 2HG2 VAL 50 -12.862 2.242 1.225 438 H TYR 51 H TYR 51 -9.116 4.763 -0.692 439 HA TYR 51 HA TYR 51 -8.879 7.387 0.244 440 HB2 TYR 51 2HB TYR 51 -7.344 5.757 -1.744 441 HB3 TYR 51 1HB TYR 51 -6.991 7.472 -1.580 442 HD1 TYR 51 1HD TYR 51 -5.987 8.349 0.451 443 HD2 TYR 51 2HD TYR 51 -6.782 4.194 0.029 444 HE1 TYR 51 1HE TYR 51 -4.515 7.878 2.364 445 HE2 TYR 51 2HE TYR 51 -5.314 3.710 1.939 446 HH TYR 51 HH TYR 51 -3.498 4.685 3.162 447 H LYS 52 H LYS 52 -9.759 6.175 -2.964 448 HA LYS 52 HA LYS 52 -9.876 8.695 -4.242 449 HB2 LYS 52 2HB LYS 52 -9.860 6.264 -5.217 450 HB3 LYS 52 1HB LYS 52 -11.606 6.369 -5.041 451 HG2 LYS 52 2HG LYS 52 -10.039 8.432 -6.555 452 HG3 LYS 52 1HG LYS 52 -10.594 6.939 -7.310 453 HD2 LYS 52 2HD LYS 52 -12.415 8.889 -5.908 454 HD3 LYS 52 1HD LYS 52 -12.096 8.915 -7.643 455 HE2 LYS 52 2HE LYS 52 -12.960 6.626 -7.824 456 HE3 LYS 52 1HE LYS 52 -13.298 6.622 -6.093 457 HZ1 LYS 52 3HZ LYS 52 -14.492 8.529 -8.034 458 HZ2 LYS 52 1HZ LYS 52 -14.884 8.374 -6.391 459 HZ3 LYS 52 2HZ LYS 52 -15.260 7.123 -7.473 460 H GLU 53 H GLU 53 -12.268 6.750 -2.524 461 HA GLU 53 HA GLU 53 -14.465 8.452 -3.008 462 HB2 GLU 53 2HB GLU 53 -13.875 6.307 -0.985 463 HB3 GLU 53 1HB GLU 53 -15.388 7.186 -0.976 464 HG2 GLU 53 2HG GLU 53 -15.848 6.448 -3.251 465 HG3 GLU 53 1HG GLU 53 -14.308 5.591 -3.281 466 H ALA 54 H ALA 54 -12.120 8.225 -0.377 467 HA ALA 54 HA ALA 54 -13.314 10.165 1.305 468 HB1 ALA 54 1HB ALA 54 -11.219 10.148 2.521 469 HB2 ALA 54 2HB ALA 54 -10.423 9.324 1.182 470 HB3 ALA 54 3HB ALA 54 -11.687 8.500 2.094 471 H ALA 55 H ALA 55 -11.006 10.393 -1.336 472 HA ALA 55 HA ALA 55 -10.067 12.986 -0.916 473 HB1 ALA 55 1HB ALA 55 -9.479 12.994 -3.269 474 HB2 ALA 55 2HB ALA 55 -10.552 11.626 -3.565 475 HB3 ALA 55 3HB ALA 55 -9.119 11.420 -2.555 476 H GLU 56 H GLU 56 -13.064 11.858 -2.354 477 HA GLU 56 HA GLU 56 -13.810 14.517 -3.222 478 HB2 GLU 56 2HB GLU 56 -15.241 11.866 -3.296 479 HB3 GLU 56 1HB GLU 56 -15.970 13.368 -3.852 480 HG2 GLU 56 2HG GLU 56 -13.400 12.240 -4.932 481 HG3 GLU 56 1HG GLU 56 -14.985 11.971 -5.653 482 H LYS 57 H LYS 57 -13.950 12.761 -0.375 483 HA LYS 57 HA LYS 57 -16.260 14.234 0.642 484 HB2 LYS 57 2HB LYS 57 -14.681 11.921 1.738 485 HB3 LYS 57 1HB LYS 57 -15.962 12.720 2.626 486 HG2 LYS 57 2HG LYS 57 -16.292 11.326 -0.022 487 HG3 LYS 57 1HG LYS 57 -16.706 10.643 1.552 488 HD2 LYS 57 2HD LYS 57 -18.339 12.424 1.902 489 HD3 LYS 57 1HD LYS 57 -17.912 13.135 0.345 490 HE2 LYS 57 2HE LYS 57 -18.699 11.156 -0.810 491 HE3 LYS 57 1HE LYS 57 -19.034 10.365 0.729 492 HZ1 LYS 57 3HZ LYS 57 -21.040 11.274 -0.264 493 HZ2 LYS 57 1HZ LYS 57 -20.366 12.830 -0.262 494 HZ3 LYS 57 2HZ LYS 57 -20.692 12.042 1.203 495 H ALA 58 H ALA 58 -13.107 14.752 0.250 496 HA ALA 58 HA ALA 58 -12.200 15.509 2.821 497 HB1 ALA 58 1HB ALA 58 -10.361 16.595 1.645 498 HB2 ALA 58 2HB ALA 58 -11.218 16.400 0.115 499 HB3 ALA 58 3HB ALA 58 -10.667 14.980 1.006 500 H ARG 59 H ARG 59 -13.040 17.053 3.991 501 HA ARG 59 HA ARG 59 -14.480 19.256 2.807 502 HB2 ARG 59 2HB ARG 59 -13.896 18.582 5.697 503 HB3 ARG 59 1HB ARG 59 -14.977 19.862 5.155 504 HG2 ARG 59 2HG ARG 59 -16.493 18.298 4.217 505 HG3 ARG 59 1HG ARG 59 -15.355 16.969 4.437 506 HD2 ARG 59 2HD ARG 59 -15.544 17.182 6.852 507 HD3 ARG 59 1HD ARG 59 -16.635 18.557 6.661 508 HE ARG 59 HE ARG 59 -18.151 16.915 5.488 509 HH11 ARG 59 1HH1 ARG 59 -15.893 15.924 7.988 510 HH12 ARG 59 2HH1 ARG 59 -16.788 14.495 8.411 511 HH21 ARG 59 1HH2 ARG 59 -19.331 15.048 6.055 512 HH22 ARG 59 2HH2 ARG 59 -18.755 14.015 7.323 513 H ASN 60 H ASN 60 -11.305 18.696 3.326 514 HA ASN 60 HA ASN 60 -10.703 21.560 3.522 515 HB2 ASN 60 2HB ASN 60 -10.236 20.616 5.722 516 HB3 ASN 60 1HB ASN 60 -9.265 19.338 4.994 517 HD21 ASN 60 1HD2 ASN 60 -9.432 22.744 5.726 518 HD22 ASN 60 2HD2 ASN 60 -7.731 23.057 5.566 519 HA PRO 61 HA PRO 61 -8.746 20.525 -0.300 520 HB2 PRO 61 2HB PRO 61 -7.398 22.884 -0.644 521 HB3 PRO 61 1HB PRO 61 -9.118 22.675 -0.981 522 HG2 PRO 61 2HG PRO 61 -7.786 23.846 1.428 523 HG3 PRO 61 1HG PRO 61 -9.233 24.400 0.564 524 HD2 PRO 61 2HD PRO 61 -9.382 23.022 2.876 525 HD3 PRO 61 1HD PRO 61 -10.595 22.845 1.592 526 H GLU 62 H GLU 62 -6.796 21.826 2.376 527 HA GLU 62 HA GLU 62 -4.294 21.149 1.186 528 HB2 GLU 62 2HB GLU 62 -4.686 22.833 3.047 529 HB3 GLU 62 1HB GLU 62 -4.815 21.464 4.129 530 HG2 GLU 62 2HG GLU 62 -2.559 20.752 3.511 531 HG3 GLU 62 1HG GLU 62 -2.418 22.155 2.454 532 H LYS 63 H LYS 63 -6.334 19.695 3.650 533 HA LYS 63 HA LYS 63 -4.799 17.374 4.077 534 HB2 LYS 63 2HB LYS 63 -6.681 18.160 5.530 535 HB3 LYS 63 1HB LYS 63 -7.806 17.617 4.293 536 HG2 LYS 63 2HG LYS 63 -6.981 15.324 4.561 537 HG3 LYS 63 1HG LYS 63 -5.872 15.878 5.816 538 HD2 LYS 63 2HD LYS 63 -7.793 16.632 7.152 539 HD3 LYS 63 1HD LYS 63 -8.885 16.020 5.908 540 HE2 LYS 63 2HE LYS 63 -8.773 14.373 7.622 541 HE3 LYS 63 1HE LYS 63 -7.859 13.761 6.245 542 HZ1 LYS 63 3HZ LYS 63 -5.820 14.612 7.402 543 HZ2 LYS 63 1HZ LYS 63 -6.601 13.325 8.187 544 HZ3 LYS 63 2HZ LYS 63 -6.782 14.904 8.764 545 H ARG 64 H ARG 64 -7.303 18.156 1.726 546 HA ARG 64 HA ARG 64 -7.529 15.630 0.527 547 HB2 ARG 64 2HB ARG 64 -9.147 17.329 -0.011 548 HB3 ARG 64 1HB ARG 64 -7.897 18.396 -0.638 549 HG2 ARG 64 2HG ARG 64 -7.636 17.180 -2.581 550 HG3 ARG 64 1HG ARG 64 -8.310 15.711 -1.876 551 HD2 ARG 64 2HD ARG 64 -9.800 16.770 -3.535 552 HD3 ARG 64 1HD ARG 64 -10.524 16.638 -1.937 553 HE ARG 64 HE ARG 64 -10.289 18.989 -1.669 554 HH11 ARG 64 1HH1 ARG 64 -9.300 17.868 -4.844 555 HH12 ARG 64 2HH1 ARG 64 -9.635 19.390 -5.620 556 HH21 ARG 64 1HH2 ARG 64 -10.721 20.990 -2.703 557 HH22 ARG 64 2HH2 ARG 64 -10.433 21.151 -4.405 558 H GLN 65 H GLN 65 -5.246 18.265 0.017 559 HA GLN 65 HA GLN 65 -3.986 17.236 -2.285 560 HB2 GLN 65 2HB GLN 65 -3.717 19.494 -0.672 561 HB3 GLN 65 1HB GLN 65 -2.179 18.663 -0.502 562 HG2 GLN 65 2HG GLN 65 -3.456 19.660 -3.032 563 HG3 GLN 65 1HG GLN 65 -1.975 20.231 -2.268 564 HE21 GLN 65 1HE2 GLN 65 -3.432 17.808 -4.256 565 HE22 GLN 65 2HE2 GLN 65 -1.962 17.016 -4.732 566 H VAL 66 H VAL 66 -3.379 16.769 1.163 567 HA VAL 66 HA VAL 66 -1.043 15.219 0.933 568 HB VAL 66 HB VAL 66 -3.174 15.044 3.075 569 HG11 VAL 66 1HG1 VAL 66 -0.271 14.221 3.129 570 HG12 VAL 66 2HG1 VAL 66 -1.662 13.134 3.106 571 HG13 VAL 66 3HG1 VAL 66 -1.382 14.178 4.499 572 HG21 VAL 66 3HG2 VAL 66 -0.675 16.732 2.982 573 HG22 VAL 66 1HG2 VAL 66 -1.806 16.621 4.332 574 HG23 VAL 66 2HG2 VAL 66 -2.328 17.324 2.800 575 H ILE 67 H ILE 67 -4.452 14.253 1.233 576 HA ILE 67 HA ILE 67 -4.036 11.476 1.029 577 HB ILE 67 HB ILE 67 -6.480 13.084 0.256 578 HG12 ILE 67 2HG1 ILE 67 -5.815 11.640 2.833 579 HG13 ILE 67 1HG1 ILE 67 -5.754 13.383 2.608 580 HG21 ILE 67 1HG2 ILE 67 -6.530 10.861 -0.731 581 HG22 ILE 67 2HG2 ILE 67 -7.715 10.988 0.568 582 HG23 ILE 67 3HG2 ILE 67 -6.193 10.138 0.841 583 HD11 ILE 67 3HD1 ILE 67 -8.158 13.410 2.188 584 HD12 ILE 67 1HD1 ILE 67 -7.779 12.707 3.760 585 HD13 ILE 67 2HD1 ILE 67 -8.215 11.662 2.408 586 H ASP 68 H ASP 68 -4.688 13.955 -1.392 587 HA ASP 68 HA ASP 68 -4.999 12.295 -3.630 588 HB2 ASP 68 2HB ASP 68 -5.560 14.746 -3.473 589 HB3 ASP 68 1HB ASP 68 -3.839 15.090 -3.602 590 H LYS 69 H LYS 69 -2.129 13.872 -2.279 591 HA LYS 69 HA LYS 69 -0.270 13.006 -4.195 592 HB2 LYS 69 2HB LYS 69 0.116 14.738 -2.411 593 HB3 LYS 69 1HB LYS 69 0.269 13.430 -1.250 594 HG2 LYS 69 2HG LYS 69 2.174 12.543 -2.572 595 HG3 LYS 69 1HG LYS 69 2.056 13.962 -3.615 596 HD2 LYS 69 2HD LYS 69 2.575 14.001 -0.640 597 HD3 LYS 69 1HD LYS 69 3.797 14.209 -1.894 598 HE2 LYS 69 2HE LYS 69 1.404 16.013 -1.547 599 HE3 LYS 69 1HE LYS 69 2.990 16.337 -0.853 600 HZ1 LYS 69 3HZ LYS 69 2.422 16.041 -3.758 601 HZ2 LYS 69 1HZ LYS 69 3.925 16.414 -3.072 602 HZ3 LYS 69 2HZ LYS 69 2.642 17.515 -2.951 603 H ILE 70 H ILE 70 -1.347 11.501 -1.161 604 HA ILE 70 HA ILE 70 0.315 9.218 -1.311 605 HB ILE 70 HB ILE 70 -2.359 9.582 0.059 606 HG12 ILE 70 2HG1 ILE 70 0.466 9.683 1.147 607 HG13 ILE 70 1HG1 ILE 70 -0.554 11.084 0.835 608 HG21 ILE 70 1HG2 ILE 70 -0.327 7.373 0.374 609 HG22 ILE 70 2HG2 ILE 70 -1.955 7.221 -0.290 610 HG23 ILE 70 3HG2 ILE 70 -1.730 7.620 1.412 611 HD11 ILE 70 3HD1 ILE 70 -2.141 10.298 2.517 612 HD12 ILE 70 1HD1 ILE 70 -0.528 10.528 3.191 613 HD13 ILE 70 2HD1 ILE 70 -1.111 8.902 2.833 614 H LEU 71 H LEU 71 -2.953 9.887 -2.467 615 HA LEU 71 HA LEU 71 -3.666 7.362 -3.395 616 HB2 LEU 71 2HB LEU 71 -4.538 10.102 -3.774 617 HB3 LEU 71 1HB LEU 71 -4.695 9.174 -5.251 618 HG LEU 71 HG LEU 71 -5.894 8.373 -2.599 619 HD11 LEU 71 1HD1 LEU 71 -6.936 10.400 -3.451 620 HD12 LEU 71 2HD1 LEU 71 -8.028 9.024 -3.608 621 HD13 LEU 71 3HD1 LEU 71 -7.171 9.636 -5.025 622 HD21 LEU 71 3HD2 LEU 71 -7.139 6.756 -3.944 623 HD22 LEU 71 1HD2 LEU 71 -5.400 6.488 -4.067 624 HD23 LEU 71 2HD2 LEU 71 -6.264 7.276 -5.386 625 H GLU 72 H GLU 72 -1.802 9.918 -4.929 626 HA GLU 72 HA GLU 72 -1.582 8.823 -7.499 627 HB2 GLU 72 2HB GLU 72 -0.954 11.156 -6.695 628 HB3 GLU 72 1HB GLU 72 0.531 10.460 -6.083 629 HG2 GLU 72 2HG GLU 72 -0.219 10.147 -8.960 630 HG3 GLU 72 1HG GLU 72 0.532 11.630 -8.380 631 H ASP 73 H ASP 73 0.489 8.443 -4.639 632 HA ASP 73 HA ASP 73 2.322 6.733 -5.970 633 HB2 ASP 73 2HB ASP 73 1.901 7.451 -3.099 634 HB3 ASP 73 1HB ASP 73 2.930 6.082 -3.512 635 H GLU 74 H GLU 74 -0.473 6.049 -3.872 636 HA GLU 74 HA GLU 74 -0.071 3.256 -3.792 637 HB2 GLU 74 2HB GLU 74 -2.678 4.774 -3.611 638 HB3 GLU 74 1HB GLU 74 -2.437 3.098 -3.143 639 HG2 GLU 74 2HG GLU 74 -1.074 5.463 -1.889 640 HG3 GLU 74 1HG GLU 74 -2.480 4.633 -1.236 641 H GLU 75 H GLU 75 -2.028 5.268 -6.008 642 HA GLU 75 HA GLU 75 -2.971 3.282 -7.682 643 HB2 GLU 75 2HB GLU 75 -3.784 5.547 -7.740 644 HB3 GLU 75 1HB GLU 75 -2.188 6.165 -8.099 645 HG2 GLU 75 2HG GLU 75 -3.427 4.304 -10.023 646 HG3 GLU 75 1HG GLU 75 -4.029 5.955 -9.919 647 H LYS 76 H LYS 76 0.073 5.070 -7.694 648 HA LYS 76 HA LYS 76 1.204 4.010 -10.030 649 HB2 LYS 76 2HB LYS 76 2.038 5.998 -8.812 650 HB3 LYS 76 1HB LYS 76 2.591 4.955 -7.514 651 HG2 LYS 76 2HG LYS 76 4.034 3.804 -9.248 652 HG3 LYS 76 1HG LYS 76 3.646 5.158 -10.308 653 HD2 LYS 76 2HD LYS 76 4.965 5.365 -7.597 654 HD3 LYS 76 1HD LYS 76 5.790 5.479 -9.148 655 HE2 LYS 76 2HE LYS 76 5.519 7.698 -8.517 656 HE3 LYS 76 1HE LYS 76 4.178 7.426 -9.627 657 HZ1 LYS 76 3HZ LYS 76 2.757 7.037 -7.658 658 HZ2 LYS 76 1HZ LYS 76 3.383 8.609 -7.726 659 HZ3 LYS 76 2HZ LYS 76 4.053 7.475 -6.653 660 H HIS 77 H HIS 77 1.345 2.921 -6.666 661 HA HIS 77 HA HIS 77 3.249 0.903 -6.907 662 HB2 HIS 77 2HB HIS 77 0.846 1.069 -5.082 663 HB3 HIS 77 1HB HIS 77 2.127 -0.120 -4.913 664 HD2 HIS 77 2HD HIS 77 4.243 2.645 -5.655 665 HE1 HIS 77 1HE HIS 77 3.256 3.305 -1.603 666 HE2 HIS 77 2HE HIS 77 4.654 4.096 -3.548 667 H ILE 78 H ILE 78 -0.251 0.787 -7.376 668 HA ILE 78 HA ILE 78 -0.590 -1.959 -7.655 669 HB ILE 78 HB ILE 78 -2.111 0.190 -9.139 670 HG12 ILE 78 2HG1 ILE 78 -2.676 -1.040 -6.434 671 HG13 ILE 78 1HG1 ILE 78 -2.027 0.576 -6.693 672 HG21 ILE 78 1HG2 ILE 78 -3.949 -1.435 -9.131 673 HG22 ILE 78 2HG2 ILE 78 -2.886 -2.622 -8.376 674 HG23 ILE 78 3HG2 ILE 78 -2.542 -2.037 -10.005 675 HD11 ILE 78 3HD1 ILE 78 -4.724 -0.401 -7.606 676 HD12 ILE 78 1HD1 ILE 78 -4.076 1.221 -7.841 677 HD13 ILE 78 2HD1 ILE 78 -4.412 0.634 -6.215 678 H GLU 79 H GLU 79 0.395 0.455 -10.029 679 HA GLU 79 HA GLU 79 0.072 -1.065 -12.340 680 HB2 GLU 79 2HB GLU 79 0.388 1.348 -12.374 681 HB3 GLU 79 1HB GLU 79 2.024 1.162 -11.753 682 HG2 GLU 79 2HG GLU 79 2.679 0.000 -13.768 683 HG3 GLU 79 1HG GLU 79 1.033 0.114 -14.386 684 H TRP 80 H TRP 80 2.851 -0.773 -10.150 685 HA TRP 80 HA TRP 80 4.719 -2.120 -11.755 686 HB2 TRP 80 2HB TRP 80 4.582 -2.077 -8.733 687 HB3 TRP 80 1HB TRP 80 5.991 -2.490 -9.694 688 HD1 TRP 80 HD TRP 80 5.546 0.079 -11.743 689 HE1 TRP 80 1HE TRP 80 6.300 2.386 -10.872 690 HE3 TRP 80 3HE TRP 80 5.594 -0.923 -6.731 691 HZ2 TRP 80 2HZ TRP 80 6.844 3.606 -8.388 692 HZ3 TRP 80 3HZ TRP 80 6.250 0.866 -5.175 693 HH2 TRP 80 HH TRP 80 6.862 3.083 -5.989 694 H HIS 81 H HIS 81 2.517 -3.300 -9.259 695 HA HIS 81 HA HIS 81 3.438 -5.986 -9.401 696 HB2 HIS 81 2HB HIS 81 0.963 -4.769 -8.177 697 HB3 HIS 81 1HB HIS 81 1.387 -6.474 -8.030 698 HD1 HIS 81 1HD HIS 81 3.451 -7.060 -6.535 699 HD2 HIS 81 2HD HIS 81 2.466 -3.021 -6.633 700 HE1 HIS 81 1HE HIS 81 4.798 -5.952 -4.696 701 H LYS 82 H LYS 82 0.839 -4.215 -10.972 702 HA LYS 82 HA LYS 82 -0.462 -6.433 -12.139 703 HB2 LYS 82 2HB LYS 82 -0.250 -3.558 -13.045 704 HB3 LYS 82 1HB LYS 82 -1.277 -4.750 -13.827 705 HG2 LYS 82 2HG LYS 82 -2.562 -5.025 -11.791 706 HG3 LYS 82 1HG LYS 82 -1.494 -3.903 -10.947 707 HD2 LYS 82 2HD LYS 82 -3.532 -2.768 -11.602 708 HD3 LYS 82 1HD LYS 82 -2.168 -2.120 -12.513 709 HE2 LYS 82 2HE LYS 82 -2.785 -3.501 -14.425 710 HE3 LYS 82 1HE LYS 82 -4.139 -4.170 -13.515 711 HZ1 LYS 82 3HZ LYS 82 -4.784 -2.373 -15.046 712 HZ2 LYS 82 1HZ LYS 82 -3.811 -1.291 -14.180 713 HZ3 LYS 82 2HZ LYS 82 -5.153 -2.012 -13.432 714 H ALA 83 H ALA 83 2.291 -4.484 -13.138 715 HA ALA 83 HA ALA 83 2.588 -5.556 -15.730 716 HB1 ALA 83 1HB ALA 83 3.671 -3.484 -14.989 717 HB2 ALA 83 2HB ALA 83 4.825 -4.624 -15.678 718 HB3 ALA 83 3HB ALA 83 4.720 -4.422 -13.928 719 H ALA 84 H ALA 84 3.857 -6.559 -12.589 720 HA ALA 84 HA ALA 84 5.433 -8.703 -13.598 721 HB1 ALA 84 1HB ALA 84 5.841 -7.735 -11.399 722 HB2 ALA 84 2HB ALA 84 5.517 -9.465 -11.273 723 HB3 ALA 84 3HB ALA 84 4.262 -8.299 -10.848 724 H SER 85 H SER 85 2.124 -8.374 -12.516 725 HA SER 85 HA SER 85 0.276 -9.631 -12.793 726 HB2 SER 85 2HB SER 85 1.945 -11.305 -14.677 727 HB3 SER 85 1HB SER 85 0.185 -11.295 -14.568 728 HG SER 85 HG SER 85 0.923 -8.786 -14.889 729 H LYS 86 H LYS 86 2.537 -12.360 -13.185 730 HA LYS 86 HA LYS 86 2.167 -13.159 -10.431 731 HB2 LYS 86 2HB LYS 86 1.188 -15.347 -10.938 732 HB3 LYS 86 1HB LYS 86 0.121 -14.041 -11.435 733 HG2 LYS 86 2HG LYS 86 0.688 -14.350 -13.725 734 HG3 LYS 86 1HG LYS 86 1.972 -15.489 -13.307 735 HD2 LYS 86 2HD LYS 86 0.282 -17.024 -12.385 736 HD3 LYS 86 1HD LYS 86 -0.985 -15.890 -12.859 737 HE2 LYS 86 2HE LYS 86 -0.376 -16.143 -15.193 738 HE3 LYS 86 1HE LYS 86 0.962 -17.202 -14.751 739 HZ1 LYS 86 3HZ LYS 86 -1.043 -18.379 -15.547 740 HZ2 LYS 86 1HZ LYS 86 -1.893 -17.816 -14.191 741 HZ3 LYS 86 2HZ LYS 86 -0.564 -18.855 -13.990 742 H GLN 87 H GLN 87 4.228 -12.637 -12.699 743 HA GLN 87 HA GLN 87 5.925 -14.891 -11.900 744 HB2 GLN 87 2HB GLN 87 5.523 -13.855 -14.696 745 HB3 GLN 87 1HB GLN 87 7.009 -14.669 -14.229 746 HG2 GLN 87 2HG GLN 87 5.645 -16.626 -13.529 747 HG3 GLN 87 1HG GLN 87 4.224 -15.811 -14.188 748 HE21 GLN 87 1HE2 GLN 87 3.991 -15.625 -16.414 749 HE22 GLN 87 2HE2 GLN 87 4.969 -16.532 -17.525 750 H GLY 88 H GLY 88 8.007 -14.389 -11.427 751 HA2 GLY 88 2HA GLY 88 9.414 -12.128 -12.281 752 HA3 GLY 88 1HA GLY 88 8.649 -11.736 -10.748 753 H ASN 89 H ASN 89 11.475 -11.938 -11.301 754 HA ASN 89 HA ASN 89 12.464 -14.374 -10.174 755 HB2 ASN 89 2HB ASN 89 13.878 -11.702 -10.396 756 HB3 ASN 89 1HB ASN 89 14.632 -13.278 -10.174 757 HD21 ASN 89 1HD2 ASN 89 14.802 -14.680 -11.924 758 HD22 ASN 89 2HD2 ASN 89 14.536 -14.150 -13.551 759 H ALA 90 H ALA 90 13.206 -14.741 -8.085 760 HA ALA 90 HA ALA 90 11.604 -13.748 -6.042 761 HB1 ALA 90 1HB ALA 90 12.774 -15.893 -5.933 762 HB2 ALA 90 2HB ALA 90 13.091 -14.907 -4.503 763 HB3 ALA 90 3HB ALA 90 14.312 -15.044 -5.767 764 H GLU 91 H GLU 91 14.969 -12.893 -6.797 765 HA GLU 91 HA GLU 91 15.357 -11.090 -4.700 766 HB2 GLU 91 2HB GLU 91 16.607 -11.267 -7.439 767 HB3 GLU 91 1HB GLU 91 17.189 -10.214 -6.168 768 HG2 GLU 91 2HG GLU 91 16.983 -13.199 -5.925 769 HG3 GLU 91 1HG GLU 91 18.444 -12.339 -6.400 770 H GLN 92 H GLN 92 14.377 -10.519 -8.063 771 HA GLN 92 HA GLN 92 14.116 -7.728 -7.873 772 HB2 GLN 92 2HB GLN 92 12.735 -9.692 -9.704 773 HB3 GLN 92 1HB GLN 92 12.637 -7.948 -9.881 774 HG2 GLN 92 2HG GLN 92 15.096 -7.881 -10.148 775 HG3 GLN 92 1HG GLN 92 15.110 -9.644 -10.103 776 HE21 GLN 92 1HE2 GLN 92 15.959 -9.767 -12.187 777 HE22 GLN 92 2HE2 GLN 92 15.003 -9.414 -13.590 778 H PHE 93 H PHE 93 11.793 -10.345 -7.360 779 HA PHE 93 HA PHE 93 9.521 -8.707 -7.022 780 HB2 PHE 93 2HB PHE 93 9.462 -11.155 -7.484 781 HB3 PHE 93 1HB PHE 93 10.025 -11.448 -5.842 782 HD1 PHE 93 1HD PHE 93 7.366 -9.394 -7.475 783 HD2 PHE 93 2HD PHE 93 8.401 -12.138 -4.392 784 HE1 PHE 93 1HE PHE 93 5.031 -9.397 -6.698 785 HE2 PHE 93 2HE PHE 93 6.069 -12.145 -3.609 786 HZ PHE 93 HZ PHE 93 4.382 -10.773 -4.763 787 H ALA 94 H ALA 94 11.830 -10.090 -4.709 788 HA ALA 94 HA ALA 94 10.606 -9.071 -2.378 789 HB1 ALA 94 1HB ALA 94 12.740 -9.521 -1.278 790 HB2 ALA 94 2HB ALA 94 13.511 -9.738 -2.850 791 HB3 ALA 94 3HB ALA 94 12.264 -10.866 -2.315 792 H SER 95 H SER 95 12.962 -7.719 -4.619 793 HA SER 95 HA SER 95 13.552 -5.396 -3.102 794 HB2 SER 95 2HB SER 95 14.947 -6.272 -5.002 795 HB3 SER 95 1HB SER 95 13.695 -5.717 -6.112 796 HG SER 95 HG SER 95 14.727 -3.894 -6.058 797 H LEU 96 H LEU 96 11.186 -6.116 -5.642 798 HA LEU 96 HA LEU 96 10.028 -3.570 -5.850 799 HB2 LEU 96 2HB LEU 96 9.571 -5.388 -7.424 800 HB3 LEU 96 1HB LEU 96 8.761 -6.295 -6.165 801 HG LEU 96 HG LEU 96 6.994 -4.597 -6.056 802 HD11 LEU 96 1HD1 LEU 96 8.317 -2.649 -6.712 803 HD12 LEU 96 2HD1 LEU 96 6.883 -2.822 -7.724 804 HD13 LEU 96 3HD1 LEU 96 8.463 -3.294 -8.349 805 HD21 LEU 96 3HD2 LEU 96 5.972 -5.056 -8.231 806 HD22 LEU 96 1HD2 LEU 96 6.726 -6.500 -7.553 807 HD23 LEU 96 2HD2 LEU 96 7.530 -5.610 -8.848 808 H VAL 97 H VAL 97 9.213 -6.331 -3.803 809 HA VAL 97 HA VAL 97 7.111 -5.203 -2.359 810 HB VAL 97 HB VAL 97 9.155 -7.270 -1.526 811 HG11 VAL 97 1HG1 VAL 97 8.230 -6.226 0.472 812 HG12 VAL 97 2HG1 VAL 97 7.621 -7.869 0.285 813 HG13 VAL 97 3HG1 VAL 97 6.595 -6.498 -0.129 814 HG21 VAL 97 3HG2 VAL 97 7.768 -7.964 -3.379 815 HG22 VAL 97 1HG2 VAL 97 6.311 -7.485 -2.509 816 HG23 VAL 97 2HG2 VAL 97 7.282 -8.834 -1.923 817 H GLN 98 H GLN 98 10.602 -5.137 -1.711 818 HA GLN 98 HA GLN 98 10.473 -3.745 0.725 819 HB2 GLN 98 2HB GLN 98 12.485 -4.901 0.033 820 HB3 GLN 98 1HB GLN 98 12.654 -3.841 -1.358 821 HG2 GLN 98 2HG GLN 98 12.993 -1.937 0.159 822 HG3 GLN 98 1HG GLN 98 12.881 -3.034 1.533 823 HE21 GLN 98 1HE2 GLN 98 14.558 -4.446 1.955 824 HE22 GLN 98 2HE2 GLN 98 16.119 -4.278 1.231 825 H GLN 99 H GLN 99 10.856 -2.574 -2.604 826 HA GLN 99 HA GLN 99 11.143 0.156 -1.986 827 HB2 GLN 99 2HB GLN 99 11.666 -0.830 -4.193 828 HB3 GLN 99 1HB GLN 99 9.949 -1.097 -4.471 829 HG2 GLN 99 2HG GLN 99 9.589 1.343 -4.330 830 HG3 GLN 99 1HG GLN 99 11.332 1.559 -4.164 831 HE21 GLN 99 1HE2 GLN 99 8.746 0.676 -6.304 832 HE22 GLN 99 2HE2 GLN 99 9.658 0.752 -7.774 833 H HIS 100 H HIS 100 8.308 -1.832 -2.653 834 HA HIS 100 HA HIS 100 6.382 0.241 -2.511 835 HB2 HIS 100 2HB HIS 100 6.104 -2.121 -3.449 836 HB3 HIS 100 1HB HIS 100 5.948 -2.664 -1.786 837 HD1 HIS 100 1HD HIS 100 3.669 -2.911 -3.958 838 HD2 HIS 100 2HD HIS 100 3.971 0.063 -1.072 839 HE1 HIS 100 1HE HIS 100 1.333 -2.022 -3.607 840 H LEU 101 H LEU 101 7.729 -2.003 -0.145 841 HA LEU 101 HA LEU 101 6.120 -1.434 2.050 842 HB2 LEU 101 2HB LEU 101 7.717 -3.285 1.955 843 HB3 LEU 101 1HB LEU 101 9.052 -2.153 1.973 844 HG LEU 101 HG LEU 101 8.336 -1.424 4.251 845 HD11 LEU 101 1HD1 LEU 101 6.792 -2.850 5.493 846 HD12 LEU 101 2HD1 LEU 101 6.468 -3.779 4.027 847 HD13 LEU 101 3HD1 LEU 101 5.998 -2.080 4.117 848 HD21 LEU 101 3HD2 LEU 101 8.962 -4.355 3.912 849 HD22 LEU 101 1HD2 LEU 101 9.188 -3.420 5.389 850 HD23 LEU 101 2HD2 LEU 101 10.134 -3.039 3.950 851 H GLN 102 H GLN 102 9.132 0.111 1.002 852 HA GLN 102 HA GLN 102 9.531 1.812 3.140 853 HB2 GLN 102 2HB GLN 102 10.476 1.438 0.450 854 HB3 GLN 102 1HB GLN 102 10.351 3.142 0.822 855 HG2 GLN 102 2HG GLN 102 11.771 1.188 2.598 856 HG3 GLN 102 1HG GLN 102 12.565 2.041 1.278 857 HE21 GLN 102 1HE2 GLN 102 13.952 3.145 2.644 858 HE22 GLN 102 2HE2 GLN 102 13.416 4.419 3.687 859 H ASP 103 H ASP 103 7.612 2.310 0.184 860 HA ASP 103 HA ASP 103 7.067 5.042 0.735 861 HB2 ASP 103 2HB ASP 103 6.807 3.683 -1.507 862 HB3 ASP 103 1HB ASP 103 5.183 3.396 -0.902 863 H GLU 104 H GLU 104 5.370 2.034 1.417 864 HA GLU 104 HA GLU 104 3.002 3.229 2.390 865 HB2 GLU 104 2HB GLU 104 4.174 0.528 3.074 866 HB3 GLU 104 1HB GLU 104 2.525 1.040 3.399 867 HG2 GLU 104 2HG GLU 104 3.795 0.643 0.701 868 HG3 GLU 104 1HG GLU 104 2.573 -0.372 1.460 869 H GLN 105 H GLN 105 6.040 2.328 3.929 870 HA GLN 105 HA GLN 105 5.194 2.779 6.574 871 HB2 GLN 105 2HB GLN 105 7.953 2.921 5.355 872 HB3 GLN 105 1HB GLN 105 7.608 2.903 7.073 873 HG2 GLN 105 2HG GLN 105 6.451 0.699 6.713 874 HG3 GLN 105 1HG GLN 105 7.121 0.714 5.085 875 HE21 GLN 105 1HE2 GLN 105 7.791 0.365 8.455 876 HE22 GLN 105 2HE2 GLN 105 9.416 -0.196 8.292 877 H ARG 106 H ARG 106 6.538 4.888 4.086 878 HA ARG 106 HA ARG 106 6.889 7.210 5.652 879 HB2 ARG 106 2HB ARG 106 6.065 7.012 2.741 880 HB3 ARG 106 1HB ARG 106 6.732 8.432 3.528 881 HG2 ARG 106 2HG ARG 106 8.855 7.409 3.770 882 HG3 ARG 106 1HG ARG 106 8.216 5.833 3.292 883 HD2 ARG 106 2HD ARG 106 7.726 6.707 1.063 884 HD3 ARG 106 1HD ARG 106 8.360 8.283 1.537 885 HE ARG 106 HE ARG 106 10.508 6.925 1.967 886 HH11 ARG 106 1HH1 ARG 106 8.196 6.274 -0.602 887 HH12 ARG 106 2HH1 ARG 106 9.397 5.615 -1.666 888 HH21 ARG 106 1HH2 ARG 106 12.074 6.079 0.544 889 HH22 ARG 106 2HH2 ARG 106 11.596 5.491 -1.023 890 H HIS 107 H HIS 107 4.077 5.860 4.001 891 HA HIS 107 HA HIS 107 2.342 8.049 4.426 892 HB2 HIS 107 2HB HIS 107 1.677 5.101 4.126 893 HB3 HIS 107 1HB HIS 107 0.512 6.418 4.020 894 HD2 HIS 107 2HD HIS 107 2.910 8.124 2.130 895 HE1 HIS 107 1HE HIS 107 1.640 5.218 -0.663 896 HE2 HIS 107 2HE HIS 107 3.096 7.246 -0.302 897 H VAL 108 H VAL 108 3.032 5.138 6.328 898 HA VAL 108 HA VAL 108 1.286 5.697 8.478 899 HB VAL 108 HB VAL 108 3.905 4.175 8.503 900 HG11 VAL 108 1HG1 VAL 108 3.235 4.838 10.751 901 HG12 VAL 108 2HG1 VAL 108 3.056 3.098 10.532 902 HG13 VAL 108 3HG1 VAL 108 1.636 4.140 10.490 903 HG21 VAL 108 3HG2 VAL 108 1.068 3.212 8.161 904 HG22 VAL 108 1HG2 VAL 108 2.488 2.174 8.322 905 HG23 VAL 108 2HG2 VAL 108 2.322 3.235 6.923 906 H GLU 109 H GLU 109 4.630 6.584 7.812 907 HA GLU 109 HA GLU 109 5.328 7.823 10.196 908 HB2 GLU 109 2HB GLU 109 6.106 8.354 7.331 909 HB3 GLU 109 1HB GLU 109 6.863 9.178 8.668 910 HG2 GLU 109 2HG GLU 109 6.850 6.205 8.254 911 HG3 GLU 109 1HG GLU 109 8.178 7.285 7.838 912 H GLU 110 H GLU 110 3.718 9.162 7.336 913 HA GLU 110 HA GLU 110 3.520 11.799 8.347 914 HB2 GLU 110 2HB GLU 110 2.530 10.308 5.999 915 HB3 GLU 110 1HB GLU 110 1.630 11.743 6.443 916 HG2 GLU 110 2HG GLU 110 4.557 11.582 5.783 917 HG3 GLU 110 1HG GLU 110 3.286 12.315 4.806 918 H ILE 111 H ILE 111 1.445 8.984 8.586 919 HA ILE 111 HA ILE 111 -0.880 10.432 9.387 920 HB ILE 111 HB ILE 111 -0.182 7.507 9.626 921 HG12 ILE 111 2HG1 ILE 111 -2.100 9.007 7.822 922 HG13 ILE 111 1HG1 ILE 111 -0.526 8.382 7.340 923 HG21 ILE 111 1HG2 ILE 111 -2.533 7.123 10.207 924 HG22 ILE 111 2HG2 ILE 111 -2.808 8.865 10.249 925 HG23 ILE 111 3HG2 ILE 111 -1.728 8.115 11.425 926 HD11 ILE 111 3HD1 ILE 111 -1.303 6.106 7.764 927 HD12 ILE 111 1HD1 ILE 111 -2.314 6.934 6.578 928 HD13 ILE 111 2HD1 ILE 111 -2.882 6.737 8.237 929 H GLU 112 H GLU 112 1.590 8.611 11.219 930 HA GLU 112 HA GLU 112 0.264 8.861 13.691 931 HB2 GLU 112 2HB GLU 112 3.036 8.113 12.840 932 HB3 GLU 112 1HB GLU 112 2.632 8.265 14.535 933 HG2 GLU 112 2HG GLU 112 1.127 6.493 12.638 934 HG3 GLU 112 1HG GLU 112 2.509 5.949 13.589 935 H LYS 113 H LYS 113 3.073 10.596 12.353 936 HA LYS 113 HA LYS 113 4.204 12.453 13.013 937 HB2 LYS 113 2HB LYS 113 1.341 13.334 13.301 938 HB3 LYS 113 1HB LYS 113 2.697 14.443 13.471 939 HG2 LYS 113 2HG LYS 113 3.444 13.767 11.198 940 HG3 LYS 113 1HG LYS 113 1.955 12.840 11.040 941 HD2 LYS 113 2HD LYS 113 0.635 14.857 11.288 942 HD3 LYS 113 1HD LYS 113 2.096 15.807 11.566 943 HE2 LYS 113 2HE LYS 113 2.885 15.152 9.304 944 HE3 LYS 113 1HE LYS 113 1.342 14.349 9.033 945 HZ1 LYS 113 3HZ LYS 113 1.516 16.629 8.104 946 HZ2 LYS 113 1HZ LYS 113 1.600 17.237 9.682 947 HZ3 LYS 113 2HZ LYS 113 0.206 16.419 9.157 948 H LYS 114 H LYS 114 5.456 12.258 14.727 949 HA LYS 114 HA LYS 114 4.591 11.646 17.337 950 HB2 LYS 114 2HB LYS 114 6.900 11.307 16.309 951 HB3 LYS 114 1HB LYS 114 7.183 13.014 16.603 952 HG2 LYS 114 2HG LYS 114 6.473 11.081 18.798 953 HG3 LYS 114 1HG LYS 114 8.133 11.404 18.295 954 HD2 LYS 114 2HD LYS 114 7.744 13.815 18.779 955 HD3 LYS 114 1HD LYS 114 6.156 13.384 19.419 956 HE2 LYS 114 2HE LYS 114 8.831 12.445 20.457 957 HE3 LYS 114 1HE LYS 114 7.769 13.627 21.220 958 HZ1 LYS 114 3HZ LYS 114 6.075 11.826 21.385 959 HZ2 LYS 114 1HZ LYS 114 7.476 11.540 22.300 960 HZ3 LYS 114 2HZ LYS 114 7.243 10.730 20.833 961 H ASN 115 H ASN 115 3.153 12.986 18.257 962 HA ASN 115 HA ASN 115 2.406 14.698 19.524 963 HB2 ASN 115 2HB ASN 115 4.537 14.716 20.638 964 HB3 ASN 115 1HB ASN 115 5.281 15.609 19.317 965 HD21 ASN 115 1HD2 ASN 115 5.040 17.780 19.202 966 HD22 ASN 115 2HD2 ASN 115 4.307 18.740 20.442 Start of MODEL 19 1 H1 MET 1 H1 MET 1 -12.675 12.803 11.654 2 H2 MET 1 H2 MET 1 -12.480 13.804 13.012 3 H3 MET 1 H3 MET 1 -12.961 12.190 13.209 4 HA MET 1 HA MET 1 -10.367 13.018 12.051 5 HB2 MET 1 2HB MET 1 -9.370 12.373 14.197 6 HB3 MET 1 1HB MET 1 -10.487 13.716 14.383 7 HG2 MET 1 2HG MET 1 -12.192 12.182 15.225 8 HG3 MET 1 1HG MET 1 -11.072 10.836 15.033 9 HE1 MET 1 2HE MET 1 -12.603 11.499 17.735 10 HE2 MET 1 3HE MET 1 -11.321 11.293 18.929 11 HE3 MET 1 1HE MET 1 -11.472 10.153 17.589 12 H ASP 2 H ASP 2 -12.441 11.023 11.259 13 HA ASP 2 HA ASP 2 -11.405 8.461 12.134 14 HB2 ASP 2 2HB ASP 2 -13.558 9.049 10.091 15 HB3 ASP 2 1HB ASP 2 -13.247 7.504 10.879 16 H GLU 3 H GLU 3 -10.681 10.664 9.746 17 HA GLU 3 HA GLU 3 -10.061 8.822 7.608 18 HB2 GLU 3 2HB GLU 3 -9.292 11.729 7.886 19 HB3 GLU 3 1HB GLU 3 -9.355 10.783 6.406 20 HG2 GLU 3 2HG GLU 3 -11.646 10.855 6.293 21 HG3 GLU 3 1HG GLU 3 -11.829 11.118 8.029 22 H LEU 4 H LEU 4 -8.618 9.135 10.423 23 HA LEU 4 HA LEU 4 -5.885 9.329 9.351 24 HB2 LEU 4 2HB LEU 4 -6.875 10.968 11.160 25 HB3 LEU 4 1HB LEU 4 -6.529 9.652 12.260 26 HG LEU 4 HG LEU 4 -4.754 11.354 12.237 27 HD11 LEU 4 1HD1 LEU 4 -4.175 9.057 12.811 28 HD12 LEU 4 2HD1 LEU 4 -2.849 9.854 11.962 29 HD13 LEU 4 3HD1 LEU 4 -3.876 8.699 11.110 30 HD21 LEU 4 3HD2 LEU 4 -3.310 11.585 10.269 31 HD22 LEU 4 1HD2 LEU 4 -4.966 12.092 9.934 32 HD23 LEU 4 2HD2 LEU 4 -4.391 10.526 9.361 33 H ARG 5 H ARG 5 -7.322 7.951 12.300 34 HA ARG 5 HA ARG 5 -5.324 6.030 12.630 35 HB2 ARG 5 2HB ARG 5 -6.603 6.771 14.496 36 HB3 ARG 5 1HB ARG 5 -8.110 6.274 13.743 37 HG2 ARG 5 2HG ARG 5 -7.478 3.942 13.975 38 HG3 ARG 5 1HG ARG 5 -5.935 4.429 14.687 39 HD2 ARG 5 2HD ARG 5 -6.986 5.326 16.595 40 HD3 ARG 5 1HD ARG 5 -8.574 5.280 15.835 41 HE ARG 5 HE ARG 5 -7.485 2.666 16.063 42 HH11 ARG 5 1HH1 ARG 5 -9.008 5.234 17.889 43 HH12 ARG 5 2HH1 ARG 5 -9.646 4.174 19.113 44 HH21 ARG 5 1HH2 ARG 5 -8.377 1.245 17.598 45 HH22 ARG 5 2HH2 ARG 5 -9.322 1.875 18.922 46 H GLU 6 H GLU 6 -8.583 5.702 11.244 47 HA GLU 6 HA GLU 6 -8.325 2.884 10.905 48 HB2 GLU 6 2HB GLU 6 -10.294 4.834 9.706 49 HB3 GLU 6 1HB GLU 6 -10.427 3.082 9.625 50 HG2 GLU 6 2HG GLU 6 -10.504 3.004 12.087 51 HG3 GLU 6 1HG GLU 6 -10.470 4.763 12.119 52 H LEU 7 H LEU 7 -7.714 5.682 8.915 53 HA LEU 7 HA LEU 7 -7.371 4.372 6.444 54 HB2 LEU 7 2HB LEU 7 -7.596 6.850 6.799 55 HB3 LEU 7 1HB LEU 7 -5.963 6.856 7.431 56 HG LEU 7 HG LEU 7 -5.160 6.008 5.227 57 HD11 LEU 7 1HD1 LEU 7 -7.240 4.972 4.478 58 HD12 LEU 7 2HD1 LEU 7 -6.649 6.147 3.303 59 HD13 LEU 7 3HD1 LEU 7 -7.997 6.561 4.363 60 HD21 LEU 7 3HD2 LEU 7 -5.038 8.375 5.764 61 HD22 LEU 7 1HD2 LEU 7 -6.688 8.607 5.180 62 HD23 LEU 7 2HD2 LEU 7 -5.411 8.145 4.055 63 H LEU 8 H LEU 8 -5.188 5.163 9.086 64 HA LEU 8 HA LEU 8 -2.757 4.382 7.976 65 HB2 LEU 8 2HB LEU 8 -3.212 5.607 10.146 66 HB3 LEU 8 1HB LEU 8 -3.560 4.051 10.858 67 HG LEU 8 HG LEU 8 -1.265 3.306 10.342 68 HD11 LEU 8 1HD1 LEU 8 0.403 4.908 9.613 69 HD12 LEU 8 2HD1 LEU 8 -0.833 6.161 9.477 70 HD13 LEU 8 3HD1 LEU 8 -0.875 4.760 8.403 71 HD21 LEU 8 3HD2 LEU 8 -1.784 4.258 12.527 72 HD22 LEU 8 1HD2 LEU 8 -1.425 5.875 11.915 73 HD23 LEU 8 2HD2 LEU 8 -0.140 4.668 12.027 74 H LYS 9 H LYS 9 -5.272 2.528 9.550 75 HA LYS 9 HA LYS 9 -3.909 0.151 10.045 76 HB2 LYS 9 2HB LYS 9 -6.817 0.588 9.377 77 HB3 LYS 9 1HB LYS 9 -6.159 -0.947 9.924 78 HG2 LYS 9 2HG LYS 9 -5.385 0.203 11.995 79 HG3 LYS 9 1HG LYS 9 -6.246 1.645 11.454 80 HD2 LYS 9 2HD LYS 9 -7.610 0.369 13.016 81 HD3 LYS 9 1HD LYS 9 -8.338 0.359 11.407 82 HE2 LYS 9 2HE LYS 9 -7.320 -1.859 11.006 83 HE3 LYS 9 1HE LYS 9 -6.709 -1.849 12.659 84 HZ1 LYS 9 3HZ LYS 9 -8.760 -3.108 12.476 85 HZ2 LYS 9 1HZ LYS 9 -9.569 -1.747 11.870 86 HZ3 LYS 9 2HZ LYS 9 -8.986 -1.745 13.462 87 H ALA 10 H ALA 10 -5.380 1.304 7.065 88 HA ALA 10 HA ALA 10 -5.284 -1.140 5.645 89 HB1 ALA 10 1HB ALA 10 -6.656 0.715 4.887 90 HB2 ALA 10 2HB ALA 10 -5.508 0.254 3.628 91 HB3 ALA 10 3HB ALA 10 -5.217 1.694 4.607 92 H GLU 11 H GLU 11 -3.041 1.597 5.850 93 HA GLU 11 HA GLU 11 -1.057 0.609 4.125 94 HB2 GLU 11 2HB GLU 11 -0.694 2.352 6.573 95 HB3 GLU 11 1HB GLU 11 0.448 2.182 5.248 96 HG2 GLU 11 2HG GLU 11 -2.313 3.361 5.052 97 HG3 GLU 11 1HG GLU 11 -0.802 4.266 5.118 98 H GLN 12 H GLN 12 -1.530 0.267 7.610 99 HA GLN 12 HA GLN 12 0.809 -1.134 8.233 100 HB2 GLN 12 2HB GLN 12 -1.913 -1.361 9.521 101 HB3 GLN 12 1HB GLN 12 -0.404 -1.911 10.233 102 HG2 GLN 12 2HG GLN 12 0.402 0.332 10.415 103 HG3 GLN 12 1HG GLN 12 -0.973 0.949 9.497 104 HE21 GLN 12 1HE2 GLN 12 -0.088 1.638 12.185 105 HE22 GLN 12 2HE2 GLN 12 -1.424 1.308 13.228 106 H GLN 13 H GLN 13 -2.367 -2.291 7.184 107 HA GLN 13 HA GLN 13 -1.910 -5.029 7.568 108 HB2 GLN 13 2HB GLN 13 -4.140 -4.038 7.168 109 HB3 GLN 13 1HB GLN 13 -3.678 -3.711 5.505 110 HG2 GLN 13 2HG GLN 13 -3.443 -6.089 5.076 111 HG3 GLN 13 1HG GLN 13 -3.860 -6.445 6.751 112 HE21 GLN 13 1HE2 GLN 13 -5.032 -5.336 3.678 113 HE22 GLN 13 2HE2 GLN 13 -6.713 -5.527 4.020 114 H GLY 14 H GLY 14 -1.403 -2.960 4.768 115 HA2 GLY 14 2HA GLY 14 -0.540 -5.015 3.016 116 HA3 GLY 14 1HA GLY 14 -0.220 -3.306 2.809 117 H ILE 15 H ILE 15 1.267 -2.758 5.083 118 HA ILE 15 HA ILE 15 3.849 -3.596 4.393 119 HB ILE 15 HB ILE 15 2.775 -2.493 6.992 120 HG12 ILE 15 2HG1 ILE 15 4.391 -1.252 4.758 121 HG13 ILE 15 1HG1 ILE 15 2.675 -0.988 5.059 122 HG21 ILE 15 1HG2 ILE 15 4.796 -3.804 7.451 123 HG22 ILE 15 2HG2 ILE 15 5.072 -2.079 7.681 124 HG23 ILE 15 3HG2 ILE 15 5.671 -2.881 6.230 125 HD11 ILE 15 3HD1 ILE 15 4.036 0.872 5.853 126 HD12 ILE 15 1HD1 ILE 15 4.918 -0.223 6.917 127 HD13 ILE 15 2HD1 ILE 15 3.201 0.072 7.185 128 H LYS 16 H LYS 16 1.600 -4.813 6.822 129 HA LYS 16 HA LYS 16 3.193 -6.765 8.016 130 HB2 LYS 16 2HB LYS 16 0.891 -5.951 8.688 131 HB3 LYS 16 1HB LYS 16 0.238 -6.983 7.431 132 HG2 LYS 16 2HG LYS 16 1.057 -8.952 8.551 133 HG3 LYS 16 1HG LYS 16 1.866 -7.959 9.768 134 HD2 LYS 16 2HD LYS 16 -0.329 -7.042 10.432 135 HD3 LYS 16 1HD LYS 16 -1.105 -8.105 9.262 136 HE2 LYS 16 2HE LYS 16 -0.342 -10.056 10.460 137 HE3 LYS 16 1HE LYS 16 0.592 -9.051 11.569 138 HZ1 LYS 16 3HZ LYS 16 -1.481 -8.053 12.341 139 HZ2 LYS 16 1HZ LYS 16 -1.490 -9.733 12.573 140 HZ3 LYS 16 2HZ LYS 16 -2.367 -9.045 11.292 141 H ILE 17 H ILE 17 1.007 -6.980 5.249 142 HA ILE 17 HA ILE 17 1.541 -9.685 4.578 143 HB ILE 17 HB ILE 17 0.518 -7.365 2.898 144 HG12 ILE 17 2HG1 ILE 17 -0.917 -9.702 4.188 145 HG13 ILE 17 1HG1 ILE 17 -0.901 -8.055 4.805 146 HG21 ILE 17 1HG2 ILE 17 1.487 -9.019 1.411 147 HG22 ILE 17 2HG2 ILE 17 -0.273 -9.095 1.311 148 HG23 ILE 17 3HG2 ILE 17 0.610 -10.314 2.229 149 HD11 ILE 17 3HD1 ILE 17 -2.059 -8.931 2.167 150 HD12 ILE 17 1HD1 ILE 17 -2.059 -7.287 2.804 151 HD13 ILE 17 2HD1 ILE 17 -2.970 -8.551 3.628 152 H LEU 18 H LEU 18 3.012 -6.621 3.499 153 HA LEU 18 HA LEU 18 4.638 -7.691 1.486 154 HB2 LEU 18 2HB LEU 18 5.091 -5.304 3.271 155 HB3 LEU 18 1HB LEU 18 6.074 -5.682 1.869 156 HG LEU 18 HG LEU 18 3.119 -5.061 1.814 157 HD11 LEU 18 1HD1 LEU 18 4.460 -3.097 2.345 158 HD12 LEU 18 2HD1 LEU 18 3.797 -2.985 0.715 159 HD13 LEU 18 3HD1 LEU 18 5.493 -3.412 0.950 160 HD21 LEU 18 3HD2 LEU 18 3.749 -6.605 0.050 161 HD22 LEU 18 1HD2 LEU 18 5.080 -5.548 -0.424 162 HD23 LEU 18 2HD2 LEU 18 3.413 -5.009 -0.622 163 H LYS 19 H LYS 19 5.253 -7.292 4.958 164 HA LYS 19 HA LYS 19 7.873 -8.307 4.958 165 HB2 LYS 19 2HB LYS 19 5.716 -7.971 6.989 166 HB3 LYS 19 1HB LYS 19 7.151 -8.888 7.393 167 HG2 LYS 19 2HG LYS 19 7.118 -6.048 6.418 168 HG3 LYS 19 1HG LYS 19 7.334 -6.565 8.087 169 HD2 LYS 19 2HD LYS 19 9.170 -7.261 5.798 170 HD3 LYS 19 1HD LYS 19 9.475 -6.013 7.008 171 HE2 LYS 19 2HE LYS 19 9.112 -8.953 7.580 172 HE3 LYS 19 1HE LYS 19 10.662 -8.119 7.501 173 HZ1 LYS 19 3HZ LYS 19 9.980 -8.338 9.780 174 HZ2 LYS 19 1HZ LYS 19 8.482 -7.606 9.464 175 HZ3 LYS 19 2HZ LYS 19 9.910 -6.702 9.350 176 H GLU 20 H GLU 20 4.711 -9.810 5.227 177 HA GLU 20 HA GLU 20 5.567 -12.408 5.835 178 HB2 GLU 20 2HB GLU 20 3.072 -11.112 4.804 179 HB3 GLU 20 1HB GLU 20 3.161 -12.835 4.951 180 HG2 GLU 20 2HG GLU 20 3.463 -10.821 7.138 181 HG3 GLU 20 1HG GLU 20 2.117 -11.930 6.906 182 H VAL 21 H VAL 21 4.852 -10.738 2.800 183 HA VAL 21 HA VAL 21 5.262 -13.014 1.126 184 HB VAL 21 HB VAL 21 5.336 -10.057 0.468 185 HG11 VAL 21 1HG1 VAL 21 6.596 -11.310 -1.195 186 HG12 VAL 21 2HG1 VAL 21 5.065 -10.754 -1.872 187 HG13 VAL 21 3HG1 VAL 21 5.253 -12.439 -1.386 188 HG21 VAL 21 3HG2 VAL 21 3.183 -12.141 0.117 189 HG22 VAL 21 1HG2 VAL 21 3.099 -10.476 -0.460 190 HG23 VAL 21 2HG2 VAL 21 3.175 -10.806 1.270 191 H LEU 22 H LEU 22 7.332 -10.348 2.228 192 HA LEU 22 HA LEU 22 9.623 -10.948 0.730 193 HB2 LEU 22 2HB LEU 22 9.313 -8.903 2.095 194 HB3 LEU 22 1HB LEU 22 9.484 -9.868 3.548 195 HG LEU 22 HG LEU 22 11.802 -10.430 2.867 196 HD11 LEU 22 1HD1 LEU 22 11.570 -10.175 0.464 197 HD12 LEU 22 2HD1 LEU 22 12.855 -9.134 1.075 198 HD13 LEU 22 3HD1 LEU 22 11.286 -8.446 0.658 199 HD21 LEU 22 3HD2 LEU 22 11.226 -7.475 3.008 200 HD22 LEU 22 1HD2 LEU 22 12.758 -8.259 3.389 201 HD23 LEU 22 2HD2 LEU 22 11.339 -8.565 4.389 202 H LYS 23 H LYS 23 8.429 -12.222 3.765 203 HA LYS 23 HA LYS 23 10.551 -13.937 4.440 204 HB2 LYS 23 2HB LYS 23 8.354 -13.294 5.708 205 HB3 LYS 23 1HB LYS 23 7.670 -14.670 4.868 206 HG2 LYS 23 2HG LYS 23 9.596 -16.018 5.837 207 HG3 LYS 23 1HG LYS 23 9.869 -14.638 6.903 208 HD2 LYS 23 2HD LYS 23 7.394 -14.829 7.506 209 HD3 LYS 23 1HD LYS 23 7.438 -16.404 6.712 210 HE2 LYS 23 2HE LYS 23 7.797 -16.824 9.006 211 HE3 LYS 23 1HE LYS 23 9.378 -16.968 8.237 212 HZ1 LYS 23 3HZ LYS 23 9.782 -14.619 8.921 213 HZ2 LYS 23 1HZ LYS 23 9.637 -15.705 10.218 214 HZ3 LYS 23 2HZ LYS 23 8.345 -14.681 9.818 215 H LYS 24 H LYS 24 7.596 -14.471 2.605 216 HA LYS 24 HA LYS 24 8.094 -17.182 1.975 217 HB2 LYS 24 2HB LYS 24 6.203 -15.111 0.910 218 HB3 LYS 24 1HB LYS 24 6.248 -16.740 0.256 219 HG2 LYS 24 2HG LYS 24 5.651 -17.686 2.356 220 HG3 LYS 24 1HG LYS 24 5.843 -16.133 3.170 221 HD2 LYS 24 2HD LYS 24 3.936 -15.230 2.056 222 HD3 LYS 24 1HD LYS 24 3.825 -16.634 0.991 223 HE2 LYS 24 2HE LYS 24 3.447 -16.670 3.986 224 HE3 LYS 24 1HE LYS 24 2.150 -16.698 2.788 225 HZ1 LYS 24 3HZ LYS 24 4.223 -18.780 3.225 226 HZ2 LYS 24 1HZ LYS 24 3.171 -18.772 1.900 227 HZ3 LYS 24 2HZ LYS 24 2.553 -18.928 3.471 228 H ALA 25 H ALA 25 9.065 -14.211 0.440 229 HA ALA 25 HA ALA 25 9.785 -15.285 -2.076 230 HB1 ALA 25 1HB ALA 25 10.972 -12.930 -0.603 231 HB2 ALA 25 2HB ALA 25 9.597 -12.879 -1.708 232 HB3 ALA 25 3HB ALA 25 11.200 -13.297 -2.314 233 H LYS 26 H LYS 26 11.297 -15.287 1.046 234 HA LYS 26 HA LYS 26 13.844 -16.241 0.138 235 HB2 LYS 26 2HB LYS 26 12.613 -16.338 2.900 236 HB3 LYS 26 1HB LYS 26 14.311 -16.590 2.516 237 HG2 LYS 26 2HG LYS 26 14.509 -14.308 1.734 238 HG3 LYS 26 1HG LYS 26 12.790 -14.040 2.016 239 HD2 LYS 26 2HD LYS 26 13.130 -14.427 4.407 240 HD3 LYS 26 1HD LYS 26 14.851 -14.689 4.119 241 HE2 LYS 26 2HE LYS 26 13.328 -12.149 3.544 242 HE3 LYS 26 1HE LYS 26 14.408 -12.416 4.911 243 HZ1 LYS 26 3HZ LYS 26 15.440 -11.197 3.044 244 HZ2 LYS 26 1HZ LYS 26 15.249 -12.570 2.065 245 HZ3 LYS 26 2HZ LYS 26 16.256 -12.637 3.426 246 H GLU 27 H GLU 27 10.853 -17.667 1.307 247 HA GLU 27 HA GLU 27 11.653 -20.365 1.390 248 HB2 GLU 27 2HB GLU 27 8.970 -19.158 0.679 249 HB3 GLU 27 1HB GLU 27 9.241 -20.859 1.029 250 HG2 GLU 27 2HG GLU 27 9.808 -18.638 2.974 251 HG3 GLU 27 1HG GLU 27 8.292 -19.538 2.913 252 H GLY 28 H GLY 28 10.201 -18.429 -1.208 253 HA2 GLY 28 2HA GLY 28 10.760 -18.451 -3.454 254 HA3 GLY 28 1HA GLY 28 11.848 -19.792 -3.146 255 H ASP 29 H ASP 29 8.311 -19.352 -2.787 256 HA ASP 29 HA ASP 29 7.993 -21.775 -4.417 257 HB2 ASP 29 2HB ASP 29 6.840 -21.709 -2.204 258 HB3 ASP 29 1HB ASP 29 5.856 -20.376 -2.799 259 H GLU 30 H GLU 30 7.741 -21.432 -6.455 260 HA GLU 30 HA GLU 30 7.529 -18.953 -7.674 261 HB2 GLU 30 2HB GLU 30 6.749 -21.634 -8.828 262 HB3 GLU 30 1HB GLU 30 7.136 -20.189 -9.750 263 HG2 GLU 30 2HG GLU 30 9.042 -21.631 -7.921 264 HG3 GLU 30 1HG GLU 30 8.979 -21.814 -9.674 265 H GLN 31 H GLN 31 4.970 -21.413 -7.387 266 HA GLN 31 HA GLN 31 3.020 -19.828 -8.702 267 HB2 GLN 31 2HB GLN 31 3.058 -22.362 -8.386 268 HB3 GLN 31 1HB GLN 31 2.439 -22.065 -6.772 269 HG2 GLN 31 2HG GLN 31 0.463 -21.022 -7.667 270 HG3 GLN 31 1HG GLN 31 1.091 -21.169 -9.308 271 HE21 GLN 31 1HE2 GLN 31 -0.636 -22.384 -10.006 272 HE22 GLN 31 2HE2 GLN 31 -0.882 -24.026 -9.524 273 H GLU 32 H GLU 32 3.782 -20.442 -5.316 274 HA GLU 32 HA GLU 32 1.582 -19.053 -4.225 275 HB2 GLU 32 2HB GLU 32 3.050 -20.654 -2.983 276 HB3 GLU 32 1HB GLU 32 4.296 -19.415 -2.952 277 HG2 GLU 32 2HG GLU 32 2.988 -18.004 -1.575 278 HG3 GLU 32 1HG GLU 32 1.552 -18.999 -1.805 279 H LEU 33 H LEU 33 4.833 -17.983 -5.151 280 HA LEU 33 HA LEU 33 4.740 -15.374 -4.165 281 HB2 LEU 33 2HB LEU 33 6.070 -16.479 -6.640 282 HB3 LEU 33 1HB LEU 33 6.315 -14.841 -6.076 283 HG LEU 33 HG LEU 33 7.050 -17.361 -4.590 284 HD11 LEU 33 1HD1 LEU 33 8.504 -16.880 -6.482 285 HD12 LEU 33 2HD1 LEU 33 9.342 -16.619 -4.952 286 HD13 LEU 33 3HD1 LEU 33 8.753 -15.240 -5.881 287 HD21 LEU 33 3HD2 LEU 33 6.337 -15.577 -3.069 288 HD22 LEU 33 1HD2 LEU 33 7.495 -14.480 -3.824 289 HD23 LEU 33 2HD2 LEU 33 8.069 -15.899 -2.943 290 H ALA 34 H ALA 34 3.578 -16.652 -7.267 291 HA ALA 34 HA ALA 34 2.675 -14.176 -8.304 292 HB1 ALA 34 1HB ALA 34 1.653 -16.949 -8.928 293 HB2 ALA 34 2HB ALA 34 3.040 -16.179 -9.698 294 HB3 ALA 34 3HB ALA 34 1.424 -15.504 -9.912 295 H ARG 35 H ARG 35 1.186 -16.642 -6.306 296 HA ARG 35 HA ARG 35 -1.446 -15.607 -6.275 297 HB2 ARG 35 2HB ARG 35 -0.887 -17.885 -5.598 298 HB3 ARG 35 1HB ARG 35 0.057 -17.277 -4.256 299 HG2 ARG 35 2HG ARG 35 -1.897 -16.510 -3.128 300 HG3 ARG 35 1HG ARG 35 -2.905 -16.840 -4.541 301 HD2 ARG 35 2HD ARG 35 -2.559 -19.189 -4.332 302 HD3 ARG 35 1HD ARG 35 -1.328 -18.958 -3.095 303 HE ARG 35 HE ARG 35 -3.093 -18.250 -1.586 304 HH11 ARG 35 1HH1 ARG 35 -4.158 -19.762 -4.576 305 HH12 ARG 35 2HH1 ARG 35 -5.611 -20.408 -3.869 306 HH21 ARG 35 1HH2 ARG 35 -5.025 -19.078 -0.684 307 HH22 ARG 35 2HH2 ARG 35 -6.102 -20.011 -1.669 308 H LEU 36 H LEU 36 1.301 -15.214 -4.084 309 HA LEU 36 HA LEU 36 0.164 -13.436 -2.247 310 HB2 LEU 36 2HB LEU 36 3.015 -13.594 -3.231 311 HB3 LEU 36 1HB LEU 36 2.498 -12.740 -1.794 312 HG LEU 36 HG LEU 36 2.220 -15.717 -2.188 313 HD11 LEU 36 1HD1 LEU 36 4.564 -15.053 -2.130 314 HD12 LEU 36 2HD1 LEU 36 4.109 -15.909 -0.656 315 HD13 LEU 36 3HD1 LEU 36 4.280 -14.152 -0.641 316 HD21 LEU 36 3HD2 LEU 36 1.801 -15.731 0.220 317 HD22 LEU 36 1HD2 LEU 36 0.600 -14.761 -0.633 318 HD23 LEU 36 2HD2 LEU 36 1.904 -13.970 0.252 319 H ASN 37 H ASN 37 1.726 -12.899 -5.334 320 HA ASN 37 HA ASN 37 1.994 -10.141 -5.339 321 HB2 ASN 37 2HB ASN 37 2.942 -11.599 -7.050 322 HB3 ASN 37 1HB ASN 37 1.329 -12.010 -7.623 323 HD21 ASN 37 1HD2 ASN 37 3.809 -9.613 -7.533 324 HD22 ASN 37 2HD2 ASN 37 3.155 -8.604 -8.772 325 H GLN 38 H GLN 38 -0.773 -12.100 -6.418 326 HA GLN 38 HA GLN 38 -2.386 -9.958 -7.211 327 HB2 GLN 38 2HB GLN 38 -3.031 -12.778 -6.354 328 HB3 GLN 38 1HB GLN 38 -4.169 -11.682 -7.091 329 HG2 GLN 38 2HG GLN 38 -1.626 -12.614 -8.376 330 HG3 GLN 38 1HG GLN 38 -3.225 -13.292 -8.682 331 HE21 GLN 38 1HE2 GLN 38 -1.114 -10.568 -9.198 332 HE22 GLN 38 2HE2 GLN 38 -2.071 -9.818 -10.431 333 H GLU 39 H GLU 39 -1.965 -11.659 -4.160 334 HA GLU 39 HA GLU 39 -4.149 -10.568 -2.767 335 HB2 GLU 39 2HB GLU 39 -2.860 -12.516 -1.994 336 HB3 GLU 39 1HB GLU 39 -1.468 -11.486 -1.709 337 HG2 GLU 39 2HG GLU 39 -2.657 -10.294 0.019 338 HG3 GLU 39 1HG GLU 39 -4.114 -11.234 -0.301 339 H ILE 40 H ILE 40 -0.808 -9.471 -3.158 340 HA ILE 40 HA ILE 40 -0.919 -7.212 -1.497 341 HB ILE 40 HB ILE 40 0.701 -7.592 -4.023 342 HG12 ILE 40 2HG1 ILE 40 1.451 -8.051 -1.124 343 HG13 ILE 40 1HG1 ILE 40 1.082 -9.324 -2.284 344 HG21 ILE 40 1HG2 ILE 40 0.536 -5.243 -3.371 345 HG22 ILE 40 2HG2 ILE 40 2.169 -5.860 -3.121 346 HG23 ILE 40 3HG2 ILE 40 1.086 -5.653 -1.746 347 HD11 ILE 40 3HD1 ILE 40 3.368 -7.378 -2.471 348 HD12 ILE 40 1HD1 ILE 40 3.002 -8.658 -3.627 349 HD13 ILE 40 2HD1 ILE 40 3.473 -9.069 -1.978 350 H VAL 41 H VAL 41 -1.544 -7.539 -4.986 351 HA VAL 41 HA VAL 41 -2.186 -4.850 -5.482 352 HB VAL 41 HB VAL 41 -3.243 -7.299 -6.917 353 HG11 VAL 41 1HG1 VAL 41 -3.041 -4.433 -7.836 354 HG12 VAL 41 2HG1 VAL 41 -4.529 -5.294 -7.438 355 HG13 VAL 41 3HG1 VAL 41 -3.561 -5.799 -8.824 356 HG21 VAL 41 3HG2 VAL 41 -0.798 -5.620 -7.460 357 HG22 VAL 41 1HG2 VAL 41 -1.395 -6.923 -8.486 358 HG23 VAL 41 2HG2 VAL 41 -0.811 -7.278 -6.860 359 H LYS 42 H LYS 42 -4.162 -7.576 -4.430 360 HA LYS 42 HA LYS 42 -6.687 -6.381 -4.568 361 HB2 LYS 42 2HB LYS 42 -6.357 -8.774 -4.199 362 HB3 LYS 42 1HB LYS 42 -5.641 -8.450 -2.627 363 HG2 LYS 42 2HG LYS 42 -7.797 -7.513 -1.877 364 HG3 LYS 42 1HG LYS 42 -8.494 -7.942 -3.443 365 HD2 LYS 42 2HD LYS 42 -8.002 -10.291 -3.038 366 HD3 LYS 42 1HD LYS 42 -7.250 -9.882 -1.496 367 HE2 LYS 42 2HE LYS 42 -9.381 -9.053 -0.662 368 HE3 LYS 42 1HE LYS 42 -10.137 -9.403 -2.215 369 HZ1 LYS 42 3HZ LYS 42 -8.948 -11.410 -0.365 370 HZ2 LYS 42 1HZ LYS 42 -9.635 -11.754 -1.878 371 HZ3 LYS 42 2HZ LYS 42 -10.605 -11.150 -0.624 372 H ALA 43 H ALA 43 -4.276 -6.385 -1.973 373 HA ALA 43 HA ALA 43 -5.822 -5.020 -0.055 374 HB1 ALA 43 1HB ALA 43 -2.824 -5.028 -0.367 375 HB2 ALA 43 2HB ALA 43 -3.769 -6.263 0.466 376 HB3 ALA 43 3HB ALA 43 -3.725 -4.614 1.091 377 H GLU 44 H GLU 44 -3.448 -3.839 -2.414 378 HA GLU 44 HA GLU 44 -3.577 -1.115 -1.769 379 HB2 GLU 44 2HB GLU 44 -3.016 -2.443 -4.428 380 HB3 GLU 44 1HB GLU 44 -2.712 -0.749 -4.073 381 HG2 GLU 44 2HG GLU 44 -1.483 -2.900 -2.401 382 HG3 GLU 44 1HG GLU 44 -0.775 -2.451 -3.949 383 H LYS 45 H LYS 45 -5.456 -3.063 -4.039 384 HA LYS 45 HA LYS 45 -6.936 -1.025 -5.243 385 HB2 LYS 45 2HB LYS 45 -6.835 -3.363 -6.048 386 HB3 LYS 45 1HB LYS 45 -7.808 -3.865 -4.674 387 HG2 LYS 45 2HG LYS 45 -9.654 -2.466 -5.489 388 HG3 LYS 45 1HG LYS 45 -8.675 -2.018 -6.888 389 HD2 LYS 45 2HD LYS 45 -9.535 -4.826 -6.167 390 HD3 LYS 45 1HD LYS 45 -10.265 -3.818 -7.417 391 HE2 LYS 45 2HE LYS 45 -8.108 -3.756 -8.601 392 HE3 LYS 45 1HE LYS 45 -7.408 -4.798 -7.363 393 HZ1 LYS 45 3HZ LYS 45 -8.995 -6.523 -7.977 394 HZ2 LYS 45 1HZ LYS 45 -8.050 -6.060 -9.311 395 HZ3 LYS 45 2HZ LYS 45 -9.655 -5.519 -9.172 396 H GLN 46 H GLN 46 -7.551 -2.862 -2.282 397 HA GLN 46 HA GLN 46 -10.086 -1.760 -1.700 398 HB2 GLN 46 2HB GLN 46 -9.192 -3.797 -0.631 399 HB3 GLN 46 1HB GLN 46 -7.990 -2.830 0.199 400 HG2 GLN 46 2HG GLN 46 -9.865 -3.425 1.650 401 HG3 GLN 46 1HG GLN 46 -9.703 -1.681 1.444 402 HE21 GLN 46 1HE2 GLN 46 -11.839 -1.343 2.037 403 HE22 GLN 46 2HE2 GLN 46 -13.157 -1.721 0.977 404 H GLY 47 H GLY 47 -6.820 -0.899 -0.671 405 HA2 GLY 47 2HA GLY 47 -7.466 1.242 1.013 406 HA3 GLY 47 1HA GLY 47 -5.940 1.054 0.160 407 H VAL 48 H VAL 48 -6.880 1.197 -2.478 408 HA VAL 48 HA VAL 48 -6.881 3.932 -2.979 409 HB VAL 48 HB VAL 48 -7.809 1.615 -4.679 410 HG11 VAL 48 1HG1 VAL 48 -8.998 3.575 -5.465 411 HG12 VAL 48 2HG1 VAL 48 -7.726 3.143 -6.609 412 HG13 VAL 48 3HG1 VAL 48 -7.497 4.499 -5.505 413 HG21 VAL 48 3HG2 VAL 48 -5.440 1.650 -4.164 414 HG22 VAL 48 1HG2 VAL 48 -5.319 3.321 -4.717 415 HG23 VAL 48 2HG2 VAL 48 -5.694 2.037 -5.866 416 H LYS 49 H LYS 49 -9.593 1.712 -2.612 417 HA LYS 49 HA LYS 49 -11.630 3.493 -3.416 418 HB2 LYS 49 2HB LYS 49 -11.879 1.030 -3.223 419 HB3 LYS 49 1HB LYS 49 -11.809 1.184 -1.477 420 HG2 LYS 49 2HG LYS 49 -13.858 2.430 -1.442 421 HG3 LYS 49 1HG LYS 49 -13.904 2.472 -3.208 422 HD2 LYS 49 2HD LYS 49 -14.138 0.051 -3.278 423 HD3 LYS 49 1HD LYS 49 -14.030 -0.024 -1.517 424 HE2 LYS 49 2HE LYS 49 -16.083 1.229 -1.298 425 HE3 LYS 49 1HE LYS 49 -16.171 1.451 -3.044 426 HZ1 LYS 49 3HZ LYS 49 -17.629 -0.323 -2.221 427 HZ2 LYS 49 1HZ LYS 49 -16.279 -1.187 -1.675 428 HZ3 LYS 49 2HZ LYS 49 -16.490 -0.897 -3.333 429 H VAL 50 H VAL 50 -10.196 2.755 -0.281 430 HA VAL 50 HA VAL 50 -11.920 4.373 1.269 431 HB VAL 50 HB VAL 50 -9.058 3.634 1.895 432 HG11 VAL 50 1HG1 VAL 50 -9.925 5.403 3.323 433 HG12 VAL 50 2HG1 VAL 50 -9.739 3.904 4.231 434 HG13 VAL 50 3HG1 VAL 50 -11.340 4.422 3.704 435 HG21 VAL 50 3HG2 VAL 50 -11.602 2.154 2.548 436 HG22 VAL 50 1HG2 VAL 50 -9.982 1.722 3.094 437 HG23 VAL 50 2HG2 VAL 50 -10.382 1.651 1.378 438 H TYR 51 H TYR 51 -8.710 5.001 -0.136 439 HA TYR 51 HA TYR 51 -8.440 7.637 0.810 440 HB2 TYR 51 2HB TYR 51 -7.220 6.124 -1.477 441 HB3 TYR 51 1HB TYR 51 -6.884 7.838 -1.264 442 HD1 TYR 51 2HD TYR 51 -6.458 4.488 0.194 443 HD2 TYR 51 1HD TYR 51 -5.468 8.610 0.513 444 HE1 TYR 51 2HE TYR 51 -4.701 3.932 1.816 445 HE2 TYR 51 1HE TYR 51 -3.703 8.067 2.136 446 HH TYR 51 HH TYR 51 -2.771 4.768 2.791 447 H LYS 52 H LYS 52 -9.838 6.366 -2.177 448 HA LYS 52 HA LYS 52 -10.378 8.789 -3.466 449 HB2 LYS 52 2HB LYS 52 -10.550 6.472 -4.431 450 HB3 LYS 52 1HB LYS 52 -12.046 6.262 -3.543 451 HG2 LYS 52 2HG LYS 52 -11.713 8.518 -5.488 452 HG3 LYS 52 1HG LYS 52 -12.156 6.900 -6.032 453 HD2 LYS 52 2HD LYS 52 -14.073 6.976 -4.422 454 HD3 LYS 52 1HD LYS 52 -13.667 8.664 -4.108 455 HE2 LYS 52 2HE LYS 52 -14.008 9.181 -6.476 456 HE3 LYS 52 1HE LYS 52 -14.416 7.493 -6.782 457 HZ1 LYS 52 3HZ LYS 52 -16.253 7.772 -5.140 458 HZ2 LYS 52 1HZ LYS 52 -16.433 8.689 -6.557 459 HZ3 LYS 52 2HZ LYS 52 -15.922 9.438 -5.126 460 H GLU 53 H GLU 53 -12.270 6.903 -1.180 461 HA GLU 53 HA GLU 53 -14.608 8.443 -1.183 462 HB2 GLU 53 2HB GLU 53 -13.585 6.166 0.127 463 HB3 GLU 53 1HB GLU 53 -14.089 7.273 1.396 464 HG2 GLU 53 2HG GLU 53 -15.910 6.645 -0.889 465 HG3 GLU 53 1HG GLU 53 -15.763 5.544 0.482 466 H ALA 54 H ALA 54 -11.715 8.639 0.858 467 HA ALA 54 HA ALA 54 -12.711 10.780 2.483 468 HB1 ALA 54 1HB ALA 54 -10.452 10.869 3.395 469 HB2 ALA 54 2HB ALA 54 -9.883 9.793 2.120 470 HB3 ALA 54 3HB ALA 54 -11.040 9.209 3.315 471 H ALA 55 H ALA 55 -10.808 10.623 -0.465 472 HA ALA 55 HA ALA 55 -9.609 13.133 -0.422 473 HB1 ALA 55 1HB ALA 55 -9.352 12.914 -2.810 474 HB2 ALA 55 2HB ALA 55 -10.611 11.682 -2.866 475 HB3 ALA 55 3HB ALA 55 -9.087 11.349 -2.044 476 H GLU 56 H GLU 56 -12.834 12.222 -1.531 477 HA GLU 56 HA GLU 56 -13.391 14.911 -2.445 478 HB2 GLU 56 2HB GLU 56 -15.722 13.896 -2.818 479 HB3 GLU 56 1HB GLU 56 -14.393 13.303 -3.802 480 HG2 GLU 56 2HG GLU 56 -14.181 11.352 -2.362 481 HG3 GLU 56 1HG GLU 56 -15.498 11.949 -1.353 482 H LYS 57 H LYS 57 -13.157 13.670 0.515 483 HA LYS 57 HA LYS 57 -15.428 15.122 1.654 484 HB2 LYS 57 2HB LYS 57 -13.438 13.181 2.771 485 HB3 LYS 57 1HB LYS 57 -14.454 14.137 3.821 486 HG2 LYS 57 2HG LYS 57 -16.423 13.162 2.563 487 HG3 LYS 57 1HG LYS 57 -15.265 12.027 1.860 488 HD2 LYS 57 2HD LYS 57 -14.584 11.388 4.166 489 HD3 LYS 57 1HD LYS 57 -15.881 12.412 4.788 490 HE2 LYS 57 2HE LYS 57 -16.656 10.148 4.727 491 HE3 LYS 57 1HE LYS 57 -17.495 11.065 3.474 492 HZ1 LYS 57 3HZ LYS 57 -15.861 10.186 1.867 493 HZ2 LYS 57 1HZ LYS 57 -16.800 8.971 2.582 494 HZ3 LYS 57 2HZ LYS 57 -15.205 9.219 3.093 495 H ALA 58 H ALA 58 -12.227 15.586 0.811 496 HA ALA 58 HA ALA 58 -11.359 17.035 3.115 497 HB1 ALA 58 1HB ALA 58 -9.347 17.487 1.834 498 HB2 ALA 58 2HB ALA 58 -10.125 16.863 0.378 499 HB3 ALA 58 3HB ALA 58 -9.797 15.784 1.735 500 H ARG 59 H ARG 59 -12.797 18.720 3.433 501 HA ARG 59 HA ARG 59 -13.169 20.842 1.571 502 HB2 ARG 59 2HB ARG 59 -14.700 20.619 3.416 503 HB3 ARG 59 1HB ARG 59 -13.392 20.697 4.585 504 HG2 ARG 59 2HG ARG 59 -12.974 23.034 3.905 505 HG3 ARG 59 1HG ARG 59 -14.369 22.934 2.826 506 HD2 ARG 59 2HD ARG 59 -15.848 22.559 4.670 507 HD3 ARG 59 1HD ARG 59 -14.494 22.409 5.789 508 HE ARG 59 HE ARG 59 -14.809 24.948 4.384 509 HH11 ARG 59 1HH1 ARG 59 -15.231 23.095 7.334 510 HH12 ARG 59 2HH1 ARG 59 -15.354 24.507 8.350 511 HH21 ARG 59 1HH2 ARG 59 -15.010 26.793 5.686 512 HH22 ARG 59 2HH2 ARG 59 -15.249 26.624 7.403 513 H ASN 60 H ASN 60 -10.809 20.053 4.015 514 HA ASN 60 HA ASN 60 -9.335 22.517 3.705 515 HB2 ASN 60 2HB ASN 60 -9.328 21.539 5.897 516 HB3 ASN 60 1HB ASN 60 -8.815 19.980 5.264 517 HD21 ASN 60 1HD2 ASN 60 -7.837 23.231 6.018 518 HD22 ASN 60 2HD2 ASN 60 -6.132 22.930 5.993 519 HA PRO 61 HA PRO 61 -7.224 21.165 0.059 520 HB2 PRO 61 2HB PRO 61 -5.225 23.197 0.856 521 HB3 PRO 61 1HB PRO 61 -6.154 23.057 -0.639 522 HG2 PRO 61 2HG PRO 61 -6.749 24.933 1.162 523 HG3 PRO 61 1HG PRO 61 -8.027 24.079 0.271 524 HD2 PRO 61 2HD PRO 61 -7.068 23.659 3.078 525 HD3 PRO 61 1HD PRO 61 -8.729 23.661 2.446 526 H GLU 62 H GLU 62 -5.372 21.650 3.062 527 HA GLU 62 HA GLU 62 -3.060 20.303 2.253 528 HB2 GLU 62 2HB GLU 62 -4.270 21.077 4.865 529 HB3 GLU 62 1HB GLU 62 -2.920 19.970 4.857 530 HG2 GLU 62 2HG GLU 62 -2.179 22.255 5.198 531 HG3 GLU 62 1HG GLU 62 -1.552 21.600 3.690 532 H LYS 63 H LYS 63 -5.955 19.183 3.978 533 HA LYS 63 HA LYS 63 -5.192 16.487 4.226 534 HB2 LYS 63 2HB LYS 63 -7.933 17.739 3.989 535 HB3 LYS 63 1HB LYS 63 -7.673 16.034 4.328 536 HG2 LYS 63 2HG LYS 63 -6.508 16.603 6.385 537 HG3 LYS 63 1HG LYS 63 -6.716 18.320 6.041 538 HD2 LYS 63 2HD LYS 63 -8.403 17.760 7.596 539 HD3 LYS 63 1HD LYS 63 -9.206 17.888 6.034 540 HE2 LYS 63 2HE LYS 63 -8.275 15.261 7.173 541 HE3 LYS 63 1HE LYS 63 -9.872 15.926 7.503 542 HZ1 LYS 63 3HZ LYS 63 -10.087 14.426 5.701 543 HZ2 LYS 63 1HZ LYS 63 -8.771 15.112 4.874 544 HZ3 LYS 63 2HZ LYS 63 -10.205 15.984 5.049 545 H ARG 64 H ARG 64 -6.800 18.249 1.637 546 HA ARG 64 HA ARG 64 -7.505 16.052 0.043 547 HB2 ARG 64 2HB ARG 64 -8.471 18.242 -0.336 548 HB3 ARG 64 1HB ARG 64 -6.893 18.914 -0.710 549 HG2 ARG 64 2HG ARG 64 -7.868 16.664 -2.386 550 HG3 ARG 64 1HG ARG 64 -8.626 18.245 -2.596 551 HD2 ARG 64 2HD ARG 64 -6.494 19.255 -3.085 552 HD3 ARG 64 1HD ARG 64 -5.650 17.756 -2.706 553 HE ARG 64 HE ARG 64 -7.405 17.115 -4.729 554 HH11 ARG 64 1HH1 ARG 64 -4.765 19.386 -4.305 555 HH12 ARG 64 2HH1 ARG 64 -4.282 19.346 -5.972 556 HH21 ARG 64 1HH2 ARG 64 -6.775 17.042 -6.913 557 HH22 ARG 64 2HH2 ARG 64 -5.432 17.990 -7.462 558 H GLN 65 H GLN 65 -4.624 18.131 -0.051 559 HA GLN 65 HA GLN 65 -3.494 16.968 -2.342 560 HB2 GLN 65 2HB GLN 65 -2.849 19.161 -1.376 561 HB3 GLN 65 1HB GLN 65 -2.045 18.320 -0.065 562 HG2 GLN 65 2HG GLN 65 -0.418 19.012 -1.686 563 HG3 GLN 65 1HG GLN 65 -0.540 17.256 -1.694 564 HE21 GLN 65 1HE2 GLN 65 0.459 19.046 -3.738 565 HE22 GLN 65 2HE2 GLN 65 -0.490 18.749 -5.151 566 H VAL 66 H VAL 66 -2.906 16.334 1.088 567 HA VAL 66 HA VAL 66 -0.872 14.447 0.763 568 HB VAL 66 HB VAL 66 -2.931 14.640 2.972 569 HG11 VAL 66 1HG1 VAL 66 -0.292 13.174 2.953 570 HG12 VAL 66 2HG1 VAL 66 -1.884 12.415 2.891 571 HG13 VAL 66 3HG1 VAL 66 -1.394 13.324 4.323 572 HG21 VAL 66 3HG2 VAL 66 -1.583 16.655 2.723 573 HG22 VAL 66 1HG2 VAL 66 -0.106 15.693 2.778 574 HG23 VAL 66 2HG2 VAL 66 -1.148 15.794 4.201 575 H ILE 67 H ILE 67 -4.380 13.909 1.178 576 HA ILE 67 HA ILE 67 -4.273 11.103 0.964 577 HB ILE 67 HB ILE 67 -6.559 12.987 0.350 578 HG12 ILE 67 2HG1 ILE 67 -5.946 11.339 2.817 579 HG13 ILE 67 1HG1 ILE 67 -5.707 13.077 2.672 580 HG21 ILE 67 1HG2 ILE 67 -6.906 10.848 -0.750 581 HG22 ILE 67 2HG2 ILE 67 -8.015 11.028 0.610 582 HG23 ILE 67 3HG2 ILE 67 -6.590 9.998 0.763 583 HD11 ILE 67 3HD1 ILE 67 -8.110 13.382 2.365 584 HD12 ILE 67 1HD1 ILE 67 -7.748 12.565 3.886 585 HD13 ILE 67 2HD1 ILE 67 -8.349 11.639 2.511 586 H ASP 68 H ASP 68 -4.811 13.627 -1.452 587 HA ASP 68 HA ASP 68 -5.456 11.944 -3.616 588 HB2 ASP 68 2HB ASP 68 -5.828 14.436 -3.473 589 HB3 ASP 68 1HB ASP 68 -4.109 14.649 -3.777 590 H LYS 69 H LYS 69 -2.357 13.398 -2.645 591 HA LYS 69 HA LYS 69 -0.944 12.266 -4.836 592 HB2 LYS 69 2HB LYS 69 -0.346 14.013 -2.604 593 HB3 LYS 69 1HB LYS 69 0.958 12.878 -2.910 594 HG2 LYS 69 2HG LYS 69 1.076 15.120 -4.086 595 HG3 LYS 69 1HG LYS 69 1.315 13.685 -5.078 596 HD2 LYS 69 2HD LYS 69 -1.433 14.831 -4.843 597 HD3 LYS 69 1HD LYS 69 -0.257 15.647 -5.876 598 HE2 LYS 69 2HE LYS 69 0.086 13.611 -7.152 599 HE3 LYS 69 1HE LYS 69 -0.989 12.723 -6.075 600 HZ1 LYS 69 3HZ LYS 69 -2.812 14.174 -6.804 601 HZ2 LYS 69 1HZ LYS 69 -2.133 13.301 -8.088 602 HZ3 LYS 69 2HZ LYS 69 -1.764 14.944 -7.895 603 H ILE 70 H ILE 70 -1.405 11.227 -1.472 604 HA ILE 70 HA ILE 70 0.368 9.027 -1.607 605 HB ILE 70 HB ILE 70 -2.120 9.422 0.064 606 HG12 ILE 70 2HG1 ILE 70 0.827 9.540 0.746 607 HG13 ILE 70 1HG1 ILE 70 -0.238 10.930 0.559 608 HG21 ILE 70 1HG2 ILE 70 -1.760 7.034 -0.243 609 HG22 ILE 70 2HG2 ILE 70 -1.373 7.512 1.410 610 HG23 ILE 70 3HG2 ILE 70 -0.076 7.212 0.249 611 HD11 ILE 70 3HD1 ILE 70 -0.463 8.792 2.663 612 HD12 ILE 70 1HD1 ILE 70 -1.559 10.158 2.467 613 HD13 ILE 70 2HD1 ILE 70 0.127 10.438 2.894 614 H LEU 71 H LEU 71 -3.020 9.442 -2.476 615 HA LEU 71 HA LEU 71 -3.665 6.846 -3.220 616 HB2 LEU 71 2HB LEU 71 -4.790 9.410 -3.467 617 HB3 LEU 71 1HB LEU 71 -4.714 8.776 -5.096 618 HG LEU 71 HG LEU 71 -6.100 7.493 -2.747 619 HD11 LEU 71 1HD1 LEU 71 -7.270 9.437 -3.643 620 HD12 LEU 71 2HD1 LEU 71 -8.135 7.945 -4.015 621 HD13 LEU 71 3HD1 LEU 71 -7.184 8.747 -5.265 622 HD21 LEU 71 3HD2 LEU 71 -5.150 5.796 -4.201 623 HD22 LEU 71 1HD2 LEU 71 -5.873 6.577 -5.608 624 HD23 LEU 71 2HD2 LEU 71 -6.906 5.852 -4.378 625 H GLU 72 H GLU 72 -2.166 9.433 -5.125 626 HA GLU 72 HA GLU 72 -1.882 8.065 -7.549 627 HB2 GLU 72 2HB GLU 72 -1.512 10.527 -7.099 628 HB3 GLU 72 1HB GLU 72 0.053 10.102 -6.432 629 HG2 GLU 72 2HG GLU 72 0.710 9.152 -8.586 630 HG3 GLU 72 1HG GLU 72 -0.856 9.598 -9.258 631 H ASP 73 H ASP 73 0.252 8.220 -4.729 632 HA ASP 73 HA ASP 73 2.355 6.698 -5.839 633 HB2 ASP 73 2HB ASP 73 1.554 7.351 -3.033 634 HB3 ASP 73 1HB ASP 73 2.764 6.104 -3.311 635 H GLU 74 H GLU 74 -0.553 5.709 -4.058 636 HA GLU 74 HA GLU 74 0.144 2.955 -4.008 637 HB2 GLU 74 2HB GLU 74 -2.596 4.227 -3.874 638 HB3 GLU 74 1HB GLU 74 -2.238 2.549 -3.497 639 HG2 GLU 74 2HG GLU 74 -1.138 4.932 -2.024 640 HG3 GLU 74 1HG GLU 74 -2.506 3.957 -1.503 641 H GLU 75 H GLU 75 -1.688 4.962 -6.294 642 HA GLU 75 HA GLU 75 -2.446 3.002 -8.129 643 HB2 GLU 75 2HB GLU 75 -1.507 5.832 -8.665 644 HB3 GLU 75 1HB GLU 75 -2.353 4.828 -9.815 645 HG2 GLU 75 2HG GLU 75 -3.422 5.948 -7.249 646 HG3 GLU 75 1HG GLU 75 -3.883 6.394 -8.888 647 H LYS 76 H LYS 76 0.536 4.756 -7.704 648 HA LYS 76 HA LYS 76 1.971 3.833 -9.930 649 HB2 LYS 76 2HB LYS 76 2.483 5.792 -8.449 650 HB3 LYS 76 1HB LYS 76 3.031 4.662 -7.227 651 HG2 LYS 76 2HG LYS 76 4.778 3.878 -8.773 652 HG3 LYS 76 1HG LYS 76 4.250 5.091 -9.945 653 HD2 LYS 76 2HD LYS 76 5.359 5.585 -7.182 654 HD3 LYS 76 1HD LYS 76 6.117 5.989 -8.725 655 HE2 LYS 76 2HE LYS 76 4.476 7.651 -9.185 656 HE3 LYS 76 1HE LYS 76 3.467 7.110 -7.846 657 HZ1 LYS 76 3HZ LYS 76 6.174 8.285 -7.524 658 HZ2 LYS 76 1HZ LYS 76 5.064 7.919 -6.288 659 HZ3 LYS 76 2HZ LYS 76 4.731 9.165 -7.390 660 H HIS 77 H HIS 77 1.529 2.533 -6.689 661 HA HIS 77 HA HIS 77 3.541 0.546 -6.823 662 HB2 HIS 77 2HB HIS 77 1.024 0.675 -5.155 663 HB3 HIS 77 1HB HIS 77 2.313 -0.496 -4.920 664 HD2 HIS 77 2HD HIS 77 4.438 2.247 -5.568 665 HE1 HIS 77 1HE HIS 77 3.247 2.972 -1.586 666 HE2 HIS 77 2HE HIS 77 4.755 3.716 -3.470 667 H ILE 78 H ILE 78 0.073 0.505 -7.542 668 HA ILE 78 HA ILE 78 -0.069 -2.215 -8.282 669 HB ILE 78 HB ILE 78 -1.730 0.098 -9.304 670 HG12 ILE 78 2HG1 ILE 78 -2.227 -1.820 -7.010 671 HG13 ILE 78 1HG1 ILE 78 -1.763 -0.129 -6.840 672 HG21 ILE 78 1HG2 ILE 78 -3.416 -1.607 -9.823 673 HG22 ILE 78 2HG2 ILE 78 -2.289 -2.869 -9.318 674 HG23 ILE 78 3HG2 ILE 78 -1.924 -1.872 -10.728 675 HD11 ILE 78 3HD1 ILE 78 -4.128 -0.397 -6.455 676 HD12 ILE 78 1HD1 ILE 78 -4.325 -1.171 -8.028 677 HD13 ILE 78 2HD1 ILE 78 -3.865 0.530 -7.932 678 H GLU 79 H GLU 79 0.688 0.729 -10.062 679 HA GLU 79 HA GLU 79 0.922 -0.331 -12.632 680 HB2 GLU 79 2HB GLU 79 0.826 2.052 -12.154 681 HB3 GLU 79 1HB GLU 79 2.341 1.968 -11.271 682 HG2 GLU 79 2HG GLU 79 2.690 2.945 -13.416 683 HG3 GLU 79 1HG GLU 79 3.499 1.383 -13.345 684 H TRP 80 H TRP 80 3.310 -0.024 -10.010 685 HA TRP 80 HA TRP 80 5.517 -1.080 -11.402 686 HB2 TRP 80 2HB TRP 80 4.840 -1.115 -8.458 687 HB3 TRP 80 1HB TRP 80 6.370 -1.693 -9.099 688 HD1 TRP 80 HD TRP 80 6.000 1.070 -11.239 689 HE1 TRP 80 1HE TRP 80 7.028 3.231 -10.288 690 HE3 TRP 80 3HE TRP 80 6.382 -0.298 -6.327 691 HZ2 TRP 80 2HZ TRP 80 7.889 4.223 -7.786 692 HZ3 TRP 80 3HZ TRP 80 7.321 1.312 -4.725 693 HH2 TRP 80 HH TRP 80 8.058 3.524 -5.440 694 H HIS 81 H HIS 81 3.032 -2.637 -9.415 695 HA HIS 81 HA HIS 81 4.161 -5.222 -9.523 696 HB2 HIS 81 2HB HIS 81 1.586 -4.055 -8.649 697 HB3 HIS 81 1HB HIS 81 1.552 -5.763 -9.072 698 HD1 HIS 81 1HD HIS 81 3.612 -3.465 -6.799 699 HD2 HIS 81 2HD HIS 81 2.266 -7.386 -7.077 700 HE1 HIS 81 1HE HIS 81 4.399 -4.646 -4.696 701 H LYS 82 H LYS 82 1.622 -3.678 -11.470 702 HA LYS 82 HA LYS 82 1.021 -5.947 -13.025 703 HB2 LYS 82 2HB LYS 82 0.675 -3.001 -13.540 704 HB3 LYS 82 1HB LYS 82 0.139 -4.227 -14.682 705 HG2 LYS 82 2HG LYS 82 -0.765 -4.038 -11.816 706 HG3 LYS 82 1HG LYS 82 -1.659 -3.416 -13.207 707 HD2 LYS 82 2HD LYS 82 -1.810 -5.662 -14.135 708 HD3 LYS 82 1HD LYS 82 -0.861 -6.298 -12.791 709 HE2 LYS 82 2HE LYS 82 -2.598 -5.720 -11.227 710 HE3 LYS 82 1HE LYS 82 -3.520 -4.910 -12.494 711 HZ1 LYS 82 3HZ LYS 82 -2.920 -7.821 -12.360 712 HZ2 LYS 82 1HZ LYS 82 -3.752 -7.053 -13.622 713 HZ3 LYS 82 2HZ LYS 82 -4.422 -7.092 -12.067 714 H ALA 83 H ALA 83 3.490 -3.469 -13.373 715 HA ALA 83 HA ALA 83 4.249 -4.199 -16.016 716 HB1 ALA 83 1HB ALA 83 6.239 -2.828 -15.598 717 HB2 ALA 83 2HB ALA 83 5.800 -2.723 -13.892 718 HB3 ALA 83 3HB ALA 83 4.758 -2.002 -15.117 719 H ALA 84 H ALA 84 5.613 -4.935 -12.812 720 HA ALA 84 HA ALA 84 7.814 -6.398 -13.870 721 HB1 ALA 84 1HB ALA 84 6.749 -6.421 -11.054 722 HB2 ALA 84 2HB ALA 84 7.876 -5.230 -11.707 723 HB3 ALA 84 3HB ALA 84 8.354 -6.922 -11.584 724 H SER 85 H SER 85 4.618 -7.328 -12.757 725 HA SER 85 HA SER 85 5.331 -10.096 -12.425 726 HB2 SER 85 2HB SER 85 2.554 -8.912 -12.512 727 HB3 SER 85 1HB SER 85 3.050 -10.440 -11.777 728 HG SER 85 HG SER 85 3.753 -7.816 -10.951 729 H LYS 86 H LYS 86 6.190 -10.146 -14.702 730 HA LYS 86 HA LYS 86 4.105 -11.360 -16.361 731 HB2 LYS 86 2HB LYS 86 6.190 -9.456 -17.446 732 HB3 LYS 86 1HB LYS 86 5.040 -10.368 -18.409 733 HG2 LYS 86 2HG LYS 86 3.231 -9.135 -17.077 734 HG3 LYS 86 1HG LYS 86 4.534 -8.050 -16.581 735 HD2 LYS 86 2HD LYS 86 5.045 -7.669 -18.988 736 HD3 LYS 86 1HD LYS 86 3.623 -8.630 -19.398 737 HE2 LYS 86 2HE LYS 86 2.915 -6.383 -19.490 738 HE3 LYS 86 1HE LYS 86 2.294 -7.014 -17.965 739 HZ1 LYS 86 3HZ LYS 86 4.721 -5.343 -18.321 740 HZ2 LYS 86 1HZ LYS 86 4.199 -5.993 -16.845 741 HZ3 LYS 86 2HZ LYS 86 3.251 -4.840 -17.646 742 H GLN 87 H GLN 87 7.591 -10.768 -16.065 743 HA GLN 87 HA GLN 87 8.055 -13.588 -16.776 744 HB2 GLN 87 2HB GLN 87 8.578 -11.655 -18.521 745 HB3 GLN 87 1HB GLN 87 10.034 -11.483 -17.560 746 HG2 GLN 87 2HG GLN 87 9.138 -14.008 -18.936 747 HG3 GLN 87 1HG GLN 87 10.350 -12.886 -19.546 748 HE21 GLN 87 1HE2 GLN 87 9.694 -15.499 -17.419 749 HE22 GLN 87 2HE2 GLN 87 11.313 -15.711 -16.837 750 H GLY 88 H GLY 88 9.410 -10.667 -15.287 751 HA2 GLY 88 2HA GLY 88 11.567 -11.911 -13.972 752 HA3 GLY 88 1HA GLY 88 10.857 -10.359 -13.544 753 H ASN 89 H ASN 89 11.744 -13.009 -12.127 754 HA ASN 89 HA ASN 89 9.490 -13.031 -10.249 755 HB2 ASN 89 2HB ASN 89 9.500 -15.437 -10.087 756 HB3 ASN 89 1HB ASN 89 9.324 -15.014 -11.786 757 HD21 ASN 89 1HD2 ASN 89 10.310 -17.471 -10.528 758 HD22 ASN 89 2HD2 ASN 89 11.900 -17.711 -11.161 759 H ALA 90 H ALA 90 10.154 -14.357 -8.251 760 HA ALA 90 HA ALA 90 11.387 -14.506 -6.369 761 HB1 ALA 90 1HB ALA 90 13.498 -15.665 -6.599 762 HB2 ALA 90 2HB ALA 90 13.553 -15.261 -8.314 763 HB3 ALA 90 3HB ALA 90 12.298 -16.337 -7.702 764 H GLU 91 H GLU 91 14.265 -13.547 -8.181 765 HA GLU 91 HA GLU 91 15.151 -11.833 -6.154 766 HB2 GLU 91 2HB GLU 91 15.925 -11.929 -9.074 767 HB3 GLU 91 1HB GLU 91 16.817 -11.096 -7.822 768 HG2 GLU 91 2HG GLU 91 18.018 -12.977 -7.740 769 HG3 GLU 91 1HG GLU 91 16.680 -13.572 -6.759 770 H GLN 92 H GLN 92 13.742 -11.084 -9.318 771 HA GLN 92 HA GLN 92 13.661 -8.280 -8.901 772 HB2 GLN 92 2HB GLN 92 12.072 -10.018 -10.801 773 HB3 GLN 92 1HB GLN 92 12.121 -8.262 -10.854 774 HG2 GLN 92 2HG GLN 92 14.476 -10.098 -11.232 775 HG3 GLN 92 1HG GLN 92 13.605 -9.258 -12.512 776 HE21 GLN 92 1HE2 GLN 92 13.907 -7.039 -12.778 777 HE22 GLN 92 2HE2 GLN 92 15.208 -6.187 -12.014 778 H PHE 93 H PHE 93 11.538 -10.909 -8.110 779 HA PHE 93 HA PHE 93 9.182 -9.421 -7.638 780 HB2 PHE 93 2HB PHE 93 9.268 -11.900 -7.930 781 HB3 PHE 93 1HB PHE 93 10.031 -12.027 -6.352 782 HD1 PHE 93 1HD PHE 93 6.947 -10.854 -8.044 783 HD2 PHE 93 2HD PHE 93 8.740 -12.171 -4.416 784 HE1 PHE 93 1HE PHE 93 4.727 -10.965 -6.991 785 HE2 PHE 93 2HE PHE 93 6.521 -12.281 -3.358 786 HZ PHE 93 HZ PHE 93 4.514 -11.678 -4.646 787 H ALA 94 H ALA 94 11.750 -10.578 -5.468 788 HA ALA 94 HA ALA 94 10.711 -9.467 -3.101 789 HB1 ALA 94 1HB ALA 94 12.450 -11.208 -3.142 790 HB2 ALA 94 2HB ALA 94 12.923 -9.823 -2.161 791 HB3 ALA 94 3HB ALA 94 13.600 -10.030 -3.776 792 H SER 95 H SER 95 12.862 -8.164 -5.572 793 HA SER 95 HA SER 95 13.576 -5.791 -4.277 794 HB2 SER 95 2HB SER 95 13.276 -6.342 -7.242 795 HB3 SER 95 1HB SER 95 14.188 -5.023 -6.520 796 HG SER 95 HG SER 95 14.731 -7.799 -6.408 797 H LEU 96 H LEU 96 10.846 -6.615 -6.365 798 HA LEU 96 HA LEU 96 9.722 -4.050 -6.602 799 HB2 LEU 96 2HB LEU 96 9.072 -5.941 -8.005 800 HB3 LEU 96 1HB LEU 96 8.407 -6.769 -6.612 801 HG LEU 96 HG LEU 96 6.733 -4.922 -6.392 802 HD11 LEU 96 1HD1 LEU 96 7.824 -4.090 -9.076 803 HD12 LEU 96 2HD1 LEU 96 7.987 -3.186 -7.571 804 HD13 LEU 96 3HD1 LEU 96 6.393 -3.429 -8.284 805 HD21 LEU 96 3HD2 LEU 96 6.755 -6.390 -9.027 806 HD22 LEU 96 1HD2 LEU 96 5.345 -5.683 -8.241 807 HD23 LEU 96 2HD2 LEU 96 6.185 -7.036 -7.484 808 H VAL 97 H VAL 97 9.107 -6.675 -4.311 809 HA VAL 97 HA VAL 97 7.093 -5.334 -2.853 810 HB VAL 97 HB VAL 97 8.873 -7.640 -2.047 811 HG11 VAL 97 1HG1 VAL 97 7.987 -6.514 -0.063 812 HG12 VAL 97 2HG1 VAL 97 7.243 -8.100 -0.284 813 HG13 VAL 97 3HG1 VAL 97 6.356 -6.638 -0.722 814 HG21 VAL 97 3HG2 VAL 97 6.818 -8.964 -2.521 815 HG22 VAL 97 1HG2 VAL 97 7.503 -8.173 -3.942 816 HG23 VAL 97 2HG2 VAL 97 6.075 -7.493 -3.160 817 H GLN 98 H GLN 98 10.595 -5.534 -2.458 818 HA GLN 98 HA GLN 98 10.713 -4.297 0.078 819 HB2 GLN 98 2HB GLN 98 12.577 -5.578 -0.948 820 HB3 GLN 98 1HB GLN 98 12.815 -4.272 -2.100 821 HG2 GLN 98 2HG GLN 98 13.462 -2.765 -0.363 822 HG3 GLN 98 1HG GLN 98 13.026 -3.934 0.880 823 HE21 GLN 98 1HE2 GLN 98 14.364 -5.678 1.270 824 HE22 GLN 98 2HE2 GLN 98 15.988 -5.753 0.688 825 H GLN 99 H GLN 99 10.854 -2.967 -3.215 826 HA GLN 99 HA GLN 99 11.205 -0.271 -2.413 827 HB2 GLN 99 2HB GLN 99 10.281 -1.595 -4.936 828 HB3 GLN 99 1HB GLN 99 10.132 0.148 -4.758 829 HG2 GLN 99 2HG GLN 99 12.711 -1.372 -4.444 830 HG3 GLN 99 1HG GLN 99 12.186 -0.592 -5.935 831 HE21 GLN 99 1HE2 GLN 99 13.909 0.826 -5.980 832 HE22 GLN 99 2HE2 GLN 99 14.050 2.155 -4.872 833 H HIS 100 H HIS 100 8.366 -2.252 -3.036 834 HA HIS 100 HA HIS 100 6.410 -0.258 -2.776 835 HB2 HIS 100 2HB HIS 100 6.008 -2.586 -3.614 836 HB3 HIS 100 1HB HIS 100 6.184 -3.170 -1.965 837 HD1 HIS 100 1HD HIS 100 3.695 -4.066 -2.089 838 HD2 HIS 100 2HD HIS 100 4.119 0.046 -2.447 839 HE1 HIS 100 1HE HIS 100 1.382 -3.092 -1.803 840 H LEU 101 H LEU 101 7.928 -2.381 -0.396 841 HA LEU 101 HA LEU 101 6.516 -1.596 1.876 842 HB2 LEU 101 2HB LEU 101 8.049 -3.531 1.721 843 HB3 LEU 101 1HB LEU 101 9.410 -2.432 1.678 844 HG LEU 101 HG LEU 101 8.815 -1.645 3.949 845 HD11 LEU 101 1HD1 LEU 101 6.439 -2.133 3.914 846 HD12 LEU 101 2HD1 LEU 101 7.223 -2.936 5.276 847 HD13 LEU 101 3HD1 LEU 101 6.783 -3.862 3.841 848 HD21 LEU 101 3HD2 LEU 101 9.229 -4.617 3.680 849 HD22 LEU 101 1HD2 LEU 101 9.551 -3.660 5.127 850 HD23 LEU 101 2HD2 LEU 101 10.487 -3.381 3.660 851 H GLN 102 H GLN 102 9.420 -0.228 0.405 852 HA GLN 102 HA GLN 102 10.164 1.578 2.366 853 HB2 GLN 102 2HB GLN 102 10.927 0.888 -0.215 854 HB3 GLN 102 1HB GLN 102 10.519 2.592 -0.329 855 HG2 GLN 102 2HG GLN 102 12.208 1.790 1.941 856 HG3 GLN 102 1HG GLN 102 12.926 1.691 0.336 857 HE21 GLN 102 1HE2 GLN 102 13.256 3.581 -0.842 858 HE22 GLN 102 2HE2 GLN 102 13.181 5.145 -0.109 859 H ASP 103 H ASP 103 7.882 2.018 -0.330 860 HA ASP 103 HA ASP 103 7.398 4.770 0.226 861 HB2 ASP 103 2HB ASP 103 6.801 3.142 -1.882 862 HB3 ASP 103 1HB ASP 103 5.233 3.279 -1.103 863 H GLU 104 H GLU 104 5.665 1.773 0.995 864 HA GLU 104 HA GLU 104 3.410 2.989 2.159 865 HB2 GLU 104 2HB GLU 104 4.552 0.253 2.754 866 HB3 GLU 104 1HB GLU 104 2.919 0.791 3.117 867 HG2 GLU 104 2HG GLU 104 4.095 0.536 0.356 868 HG3 GLU 104 1HG GLU 104 3.039 -0.643 1.124 869 H GLN 105 H GLN 105 6.534 2.082 3.487 870 HA GLN 105 HA GLN 105 5.900 2.421 6.215 871 HB2 GLN 105 2HB GLN 105 7.982 1.339 5.298 872 HB3 GLN 105 1HB GLN 105 8.574 2.950 4.914 873 HG2 GLN 105 2HG GLN 105 8.424 3.540 7.305 874 HG3 GLN 105 1HG GLN 105 7.928 1.884 7.655 875 HE21 GLN 105 1HE2 GLN 105 10.535 3.975 6.777 876 HE22 GLN 105 2HE2 GLN 105 11.808 2.813 6.990 877 H ARG 106 H ARG 106 6.881 4.655 3.691 878 HA ARG 106 HA ARG 106 7.188 6.921 5.388 879 HB2 ARG 106 2HB ARG 106 8.237 6.875 3.196 880 HB3 ARG 106 1HB ARG 106 6.669 6.735 2.413 881 HG2 ARG 106 2HG ARG 106 6.062 8.955 3.186 882 HG3 ARG 106 1HG ARG 106 7.602 9.095 4.035 883 HD2 ARG 106 2HD ARG 106 8.807 8.993 1.946 884 HD3 ARG 106 1HD ARG 106 7.308 8.708 1.058 885 HE ARG 106 HE ARG 106 6.630 10.982 1.868 886 HH11 ARG 106 1HH1 ARG 106 9.989 10.121 1.422 887 HH12 ARG 106 2HH1 ARG 106 10.529 11.764 1.250 888 HH21 ARG 106 1HH2 ARG 106 7.304 13.136 1.642 889 HH22 ARG 106 2HH2 ARG 106 8.988 13.489 1.383 890 H HIS 107 H HIS 107 4.517 5.511 3.595 891 HA HIS 107 HA HIS 107 2.658 7.586 3.885 892 HB2 HIS 107 2HB HIS 107 2.208 4.593 3.750 893 HB3 HIS 107 1HB HIS 107 0.916 5.784 3.670 894 HD2 HIS 107 2HD HIS 107 3.598 7.294 1.676 895 HE1 HIS 107 1HE HIS 107 1.540 4.789 -1.030 896 HE2 HIS 107 2HE HIS 107 3.460 6.410 -0.756 897 H VAL 108 H VAL 108 3.254 4.745 5.936 898 HA VAL 108 HA VAL 108 1.418 5.339 7.960 899 HB VAL 108 HB VAL 108 4.075 3.912 8.173 900 HG11 VAL 108 1HG1 VAL 108 3.156 2.873 10.197 901 HG12 VAL 108 2HG1 VAL 108 1.730 3.908 10.070 902 HG13 VAL 108 3HG1 VAL 108 3.317 4.620 10.371 903 HG21 VAL 108 3HG2 VAL 108 2.544 2.895 6.568 904 HG22 VAL 108 1HG2 VAL 108 1.287 2.836 7.801 905 HG23 VAL 108 2HG2 VAL 108 2.751 1.872 7.990 906 H GLU 109 H GLU 109 4.842 6.238 7.636 907 HA GLU 109 HA GLU 109 5.212 7.557 10.035 908 HB2 GLU 109 2HB GLU 109 6.636 7.020 7.755 909 HB3 GLU 109 1HB GLU 109 6.495 8.771 7.697 910 HG2 GLU 109 2HG GLU 109 7.405 7.397 10.180 911 HG3 GLU 109 1HG GLU 109 8.503 7.688 8.839 912 H GLU 110 H GLU 110 4.034 8.824 6.934 913 HA GLU 110 HA GLU 110 3.924 11.518 7.833 914 HB2 GLU 110 2HB GLU 110 3.968 10.381 5.399 915 HB3 GLU 110 1HB GLU 110 2.242 10.692 5.543 916 HG2 GLU 110 2HG GLU 110 3.150 12.568 4.468 917 HG3 GLU 110 1HG GLU 110 2.834 13.067 6.130 918 H ILE 111 H ILE 111 1.455 8.998 7.376 919 HA ILE 111 HA ILE 111 -0.792 10.595 7.849 920 HB ILE 111 HB ILE 111 -0.412 7.634 8.299 921 HG12 ILE 111 2HG1 ILE 111 -1.726 9.164 6.039 922 HG13 ILE 111 1HG1 ILE 111 -0.116 8.455 5.977 923 HG21 ILE 111 1HG2 ILE 111 -2.976 9.222 8.245 924 HG22 ILE 111 2HG2 ILE 111 -2.278 8.413 9.648 925 HG23 ILE 111 3HG2 ILE 111 -2.860 7.462 8.281 926 HD11 ILE 111 3HD1 ILE 111 -1.711 7.041 4.843 927 HD12 ILE 111 1HD1 ILE 111 -2.709 6.961 6.294 928 HD13 ILE 111 2HD1 ILE 111 -1.102 6.234 6.288 929 H GLU 112 H GLU 112 1.312 8.893 10.108 930 HA GLU 112 HA GLU 112 -0.211 9.089 12.423 931 HB2 GLU 112 2HB GLU 112 2.644 8.749 11.757 932 HB3 GLU 112 1HB GLU 112 2.299 9.323 13.375 933 HG2 GLU 112 2HG GLU 112 1.064 6.858 12.181 934 HG3 GLU 112 1HG GLU 112 2.533 6.852 13.158 935 H LYS 113 H LYS 113 1.503 11.547 10.687 936 HA LYS 113 HA LYS 113 1.694 13.345 12.944 937 HB2 LYS 113 2HB LYS 113 2.237 13.873 10.014 938 HB3 LYS 113 1HB LYS 113 2.731 14.883 11.370 939 HG2 LYS 113 2HG LYS 113 4.283 13.275 12.131 940 HG3 LYS 113 1HG LYS 113 3.625 12.034 11.065 941 HD2 LYS 113 2HD LYS 113 4.366 13.415 9.122 942 HD3 LYS 113 1HD LYS 113 5.167 14.500 10.263 943 HE2 LYS 113 2HE LYS 113 6.602 12.735 11.023 944 HE3 LYS 113 1HE LYS 113 5.714 11.541 10.078 945 HZ1 LYS 113 3HZ LYS 113 7.453 13.721 9.066 946 HZ2 LYS 113 1HZ LYS 113 6.420 12.814 8.063 947 HZ3 LYS 113 2HZ LYS 113 7.678 12.046 8.906 948 H LYS 114 H LYS 114 -0.409 13.720 13.571 949 HA LYS 114 HA LYS 114 -2.469 14.512 11.765 950 HB2 LYS 114 2HB LYS 114 -2.299 14.795 14.769 951 HB3 LYS 114 1HB LYS 114 -3.751 15.041 13.811 952 HG2 LYS 114 2HG LYS 114 -3.783 12.722 13.178 953 HG3 LYS 114 1HG LYS 114 -2.242 12.444 13.997 954 HD2 LYS 114 2HD LYS 114 -3.279 13.048 16.133 955 HD3 LYS 114 1HD LYS 114 -4.819 13.309 15.310 956 HE2 LYS 114 2HE LYS 114 -4.936 10.988 14.690 957 HE3 LYS 114 1HE LYS 114 -3.322 10.692 15.334 958 HZ1 LYS 114 3HZ LYS 114 -4.928 9.938 16.908 959 HZ2 LYS 114 1HZ LYS 114 -5.749 11.423 16.887 960 HZ3 LYS 114 2HZ LYS 114 -4.188 11.319 17.545 961 H ASN 115 H ASN 115 -2.862 16.472 10.945 962 HA ASN 115 HA ASN 115 -1.696 18.813 12.296 963 HB2 ASN 115 2HB ASN 115 -2.350 18.308 9.402 964 HB3 ASN 115 1HB ASN 115 -2.239 19.951 10.020 965 HD21 ASN 115 1HD2 ASN 115 -0.286 17.255 11.115 966 HD22 ASN 115 2HD2 ASN 115 1.219 17.862 10.523 Start of MODEL 20 1 H1 MET 1 H1 MET 1 -13.939 5.652 7.568 2 H2 MET 1 H2 MET 1 -14.105 7.165 6.812 3 H3 MET 1 H3 MET 1 -15.082 5.869 6.333 4 HA MET 1 HA MET 1 -16.315 7.421 7.692 5 HB2 MET 1 2HB MET 1 -15.745 4.764 9.025 6 HB3 MET 1 1HB MET 1 -17.112 5.801 9.408 7 HG2 MET 1 2HG MET 1 -17.932 5.562 7.115 8 HG3 MET 1 1HG MET 1 -16.570 4.508 6.742 9 HE1 MET 1 2HE MET 1 -19.667 3.719 6.252 10 HE2 MET 1 3HE MET 1 -19.611 2.036 6.770 11 HE3 MET 1 1HE MET 1 -18.285 2.711 5.823 12 H ASP 2 H ASP 2 -14.079 5.687 9.875 13 HA ASP 2 HA ASP 2 -13.887 7.996 11.617 14 HB2 ASP 2 2HB ASP 2 -13.819 5.619 12.458 15 HB3 ASP 2 1HB ASP 2 -12.260 5.437 11.663 16 H GLU 3 H GLU 3 -12.179 6.426 9.071 17 HA GLU 3 HA GLU 3 -10.714 7.211 7.554 18 HB2 GLU 3 2HB GLU 3 -11.779 9.400 7.769 19 HB3 GLU 3 1HB GLU 3 -10.735 9.782 9.130 20 HG2 GLU 3 2HG GLU 3 -8.784 9.635 7.681 21 HG3 GLU 3 1HG GLU 3 -9.828 9.235 6.316 22 H LEU 4 H LEU 4 -9.491 8.864 10.461 23 HA LEU 4 HA LEU 4 -6.833 8.532 9.756 24 HB2 LEU 4 2HB LEU 4 -8.022 8.880 12.501 25 HB3 LEU 4 1HB LEU 4 -6.318 9.049 12.132 26 HG LEU 4 HG LEU 4 -8.538 10.787 11.044 27 HD11 LEU 4 1HD1 LEU 4 -8.066 11.178 13.413 28 HD12 LEU 4 2HD1 LEU 4 -7.541 12.535 12.418 29 HD13 LEU 4 3HD1 LEU 4 -6.356 11.386 13.040 30 HD21 LEU 4 3HD2 LEU 4 -5.549 10.952 10.660 31 HD22 LEU 4 1HD2 LEU 4 -6.727 12.143 10.110 32 HD23 LEU 4 2HD2 LEU 4 -6.734 10.517 9.430 33 H ARG 5 H ARG 5 -8.654 6.608 12.151 34 HA ARG 5 HA ARG 5 -6.430 4.890 12.646 35 HB2 ARG 5 2HB ARG 5 -8.807 5.450 13.927 36 HB3 ARG 5 1HB ARG 5 -9.052 3.805 13.351 37 HG2 ARG 5 2HG ARG 5 -6.647 4.676 14.938 38 HG3 ARG 5 1HG ARG 5 -8.113 4.015 15.661 39 HD2 ARG 5 2HD ARG 5 -7.811 1.930 14.492 40 HD3 ARG 5 1HD ARG 5 -6.448 2.590 13.591 41 HE ARG 5 HE ARG 5 -5.224 2.693 15.704 42 HH11 ARG 5 1HH1 ARG 5 -8.082 0.651 15.585 43 HH12 ARG 5 2HH1 ARG 5 -7.557 -0.372 16.891 44 HH21 ARG 5 1HH2 ARG 5 -4.558 1.375 17.429 45 HH22 ARG 5 2HH2 ARG 5 -5.559 0.059 17.965 46 H GLU 6 H GLU 6 -9.208 4.767 10.528 47 HA GLU 6 HA GLU 6 -8.988 2.027 9.819 48 HB2 GLU 6 2HB GLU 6 -10.210 4.286 8.224 49 HB3 GLU 6 1HB GLU 6 -10.517 2.571 8.007 50 HG2 GLU 6 2HG GLU 6 -11.543 2.469 10.216 51 HG3 GLU 6 1HG GLU 6 -11.232 4.190 10.440 52 H LEU 7 H LEU 7 -7.801 5.037 8.432 53 HA LEU 7 HA LEU 7 -6.738 3.932 6.057 54 HB2 LEU 7 2HB LEU 7 -7.304 6.357 6.534 55 HB3 LEU 7 1HB LEU 7 -5.814 6.440 7.453 56 HG LEU 7 HG LEU 7 -4.561 5.846 5.401 57 HD11 LEU 7 1HD1 LEU 7 -6.332 4.648 4.247 58 HD12 LEU 7 2HD1 LEU 7 -5.718 5.965 3.248 59 HD13 LEU 7 3HD1 LEU 7 -7.258 6.140 4.090 60 HD21 LEU 7 3HD2 LEU 7 -6.347 8.269 5.195 61 HD22 LEU 7 1HD2 LEU 7 -4.833 8.030 4.317 62 HD23 LEU 7 2HD2 LEU 7 -4.821 8.174 6.076 63 H LEU 8 H LEU 8 -5.308 4.748 9.187 64 HA LEU 8 HA LEU 8 -2.636 4.180 8.517 65 HB2 LEU 8 2HB LEU 8 -3.459 5.419 10.540 66 HB3 LEU 8 1HB LEU 8 -3.932 3.877 11.221 67 HG LEU 8 HG LEU 8 -1.573 3.136 11.139 68 HD11 LEU 8 1HD1 LEU 8 -0.787 4.515 9.314 69 HD12 LEU 8 2HD1 LEU 8 0.175 4.816 10.760 70 HD13 LEU 8 3HD1 LEU 8 -1.059 5.975 10.266 71 HD21 LEU 8 3HD2 LEU 8 -2.077 5.704 12.637 72 HD22 LEU 8 1HD2 LEU 8 -0.785 4.554 12.977 73 HD23 LEU 8 2HD2 LEU 8 -2.467 4.074 13.188 74 H LYS 9 H LYS 9 -5.145 2.199 10.032 75 HA LYS 9 HA LYS 9 -3.629 -0.115 10.438 76 HB2 LYS 9 2HB LYS 9 -5.833 0.286 11.457 77 HB3 LYS 9 1HB LYS 9 -6.593 0.114 9.881 78 HG2 LYS 9 2HG LYS 9 -5.820 -2.210 9.773 79 HG3 LYS 9 1HG LYS 9 -5.098 -2.030 11.376 80 HD2 LYS 9 2HD LYS 9 -7.316 -1.527 12.301 81 HD3 LYS 9 1HD LYS 9 -8.025 -1.742 10.701 82 HE2 LYS 9 2HE LYS 9 -6.563 -3.854 12.281 83 HE3 LYS 9 1HE LYS 9 -8.312 -3.731 12.094 84 HZ1 LYS 9 3HZ LYS 9 -6.315 -4.284 9.963 85 HZ2 LYS 9 1HZ LYS 9 -7.959 -3.972 9.667 86 HZ3 LYS 9 2HZ LYS 9 -7.502 -5.336 10.558 87 H ALA 10 H ALA 10 -5.377 1.018 7.589 88 HA ALA 10 HA ALA 10 -5.213 -1.391 6.109 89 HB1 ALA 10 1HB ALA 10 -5.432 1.450 5.117 90 HB2 ALA 10 2HB ALA 10 -6.780 0.393 5.534 91 HB3 ALA 10 3HB ALA 10 -5.742 -0.002 4.164 92 H GLU 11 H GLU 11 -3.172 1.515 6.175 93 HA GLU 11 HA GLU 11 -1.303 0.606 4.257 94 HB2 GLU 11 2HB GLU 11 -1.148 2.687 6.433 95 HB3 GLU 11 1HB GLU 11 0.192 2.367 5.340 96 HG2 GLU 11 2HG GLU 11 -2.550 3.064 4.340 97 HG3 GLU 11 1HG GLU 11 -1.357 4.292 4.762 98 H GLN 12 H GLN 12 -1.447 0.364 7.776 99 HA GLN 12 HA GLN 12 1.110 -0.835 8.087 100 HB2 GLN 12 2HB GLN 12 -1.336 -0.872 9.859 101 HB3 GLN 12 1HB GLN 12 0.222 -1.541 10.326 102 HG2 GLN 12 2HG GLN 12 1.245 0.659 10.105 103 HG3 GLN 12 1HG GLN 12 -0.305 1.334 9.605 104 HE21 GLN 12 1HE2 GLN 12 1.382 2.024 11.880 105 HE22 GLN 12 2HE2 GLN 12 0.407 1.800 13.287 106 H GLN 13 H GLN 13 -2.094 -2.104 7.437 107 HA GLN 13 HA GLN 13 -1.447 -4.835 7.828 108 HB2 GLN 13 2HB GLN 13 -3.775 -3.923 7.709 109 HB3 GLN 13 1HB GLN 13 -3.547 -3.699 5.981 110 HG2 GLN 13 2HG GLN 13 -3.230 -6.082 5.682 111 HG3 GLN 13 1HG GLN 13 -3.376 -6.336 7.420 112 HE21 GLN 13 1HE2 GLN 13 -5.117 -7.695 7.205 113 HE22 GLN 13 2HE2 GLN 13 -6.690 -7.132 6.758 114 H GLY 14 H GLY 14 -1.436 -2.701 5.022 115 HA2 GLY 14 2HA GLY 14 -0.557 -4.536 3.095 116 HA3 GLY 14 1HA GLY 14 -0.217 -2.811 3.067 117 H ILE 15 H ILE 15 1.284 -2.571 5.398 118 HA ILE 15 HA ILE 15 3.859 -3.363 4.648 119 HB ILE 15 HB ILE 15 2.789 -2.623 7.379 120 HG12 ILE 15 2HG1 ILE 15 4.347 -1.048 5.318 121 HG13 ILE 15 1HG1 ILE 15 2.635 -0.858 5.679 122 HG21 ILE 15 1HG2 ILE 15 5.658 -2.912 6.492 123 HG22 ILE 15 2HG2 ILE 15 4.814 -3.938 7.651 124 HG23 ILE 15 3HG2 ILE 15 5.126 -2.245 8.035 125 HD11 ILE 15 3HD1 ILE 15 3.966 0.890 6.706 126 HD12 ILE 15 1HD1 ILE 15 4.903 -0.320 7.578 127 HD13 ILE 15 2HD1 ILE 15 3.187 -0.113 7.926 128 H LYS 16 H LYS 16 1.587 -4.842 6.955 129 HA LYS 16 HA LYS 16 3.206 -6.967 7.800 130 HB2 LYS 16 2HB LYS 16 0.912 -6.216 8.688 131 HB3 LYS 16 1HB LYS 16 0.226 -7.194 7.405 132 HG2 LYS 16 2HG LYS 16 2.160 -8.367 9.367 133 HG3 LYS 16 1HG LYS 16 0.448 -8.217 9.746 134 HD2 LYS 16 2HD LYS 16 -0.117 -9.565 7.787 135 HD3 LYS 16 1HD LYS 16 1.593 -9.684 7.367 136 HE2 LYS 16 2HE LYS 16 2.039 -10.878 9.439 137 HE3 LYS 16 1HE LYS 16 0.353 -10.710 9.920 138 HZ1 LYS 16 3HZ LYS 16 -0.258 -12.040 7.950 139 HZ2 LYS 16 1HZ LYS 16 0.724 -12.890 9.041 140 HZ3 LYS 16 2HZ LYS 16 1.390 -12.279 7.613 141 H ILE 17 H ILE 17 0.924 -6.717 5.112 142 HA ILE 17 HA ILE 17 1.242 -9.309 4.083 143 HB ILE 17 HB ILE 17 0.543 -6.740 2.645 144 HG12 ILE 17 2HG1 ILE 17 -1.179 -8.993 3.711 145 HG13 ILE 17 1HG1 ILE 17 -1.007 -7.401 4.443 146 HG21 ILE 17 1HG2 ILE 17 -0.358 -8.159 0.862 147 HG22 ILE 17 2HG2 ILE 17 0.241 -9.594 1.696 148 HG23 ILE 17 3HG2 ILE 17 1.379 -8.407 1.058 149 HD11 ILE 17 3HD1 ILE 17 -3.080 -7.597 3.189 150 HD12 ILE 17 1HD1 ILE 17 -2.169 -7.970 1.728 151 HD13 ILE 17 2HD1 ILE 17 -2.017 -6.380 2.479 152 H LEU 18 H LEU 18 2.974 -6.296 3.303 153 HA LEU 18 HA LEU 18 4.683 -7.404 1.360 154 HB2 LEU 18 2HB LEU 18 5.048 -5.036 3.191 155 HB3 LEU 18 1HB LEU 18 6.131 -5.423 1.869 156 HG LEU 18 HG LEU 18 3.194 -4.800 1.557 157 HD11 LEU 18 1HD1 LEU 18 5.621 -3.100 1.022 158 HD12 LEU 18 2HD1 LEU 18 4.416 -2.839 2.285 159 HD13 LEU 18 3HD1 LEU 18 3.963 -2.683 0.587 160 HD21 LEU 18 3HD2 LEU 18 4.040 -6.278 -0.184 161 HD22 LEU 18 1HD2 LEU 18 5.381 -5.173 -0.489 162 HD23 LEU 18 2HD2 LEU 18 3.727 -4.668 -0.835 163 H LYS 19 H LYS 19 5.013 -7.115 4.872 164 HA LYS 19 HA LYS 19 7.596 -8.151 5.129 165 HB2 LYS 19 2HB LYS 19 5.190 -8.145 6.922 166 HB3 LYS 19 1HB LYS 19 6.732 -8.805 7.416 167 HG2 LYS 19 2HG LYS 19 6.689 -6.051 6.335 168 HG3 LYS 19 1HG LYS 19 6.042 -6.331 7.942 169 HD2 LYS 19 2HD LYS 19 8.289 -5.770 8.297 170 HD3 LYS 19 1HD LYS 19 8.230 -7.526 8.450 171 HE2 LYS 19 2HE LYS 19 9.031 -7.750 6.151 172 HE3 LYS 19 1HE LYS 19 9.089 -5.994 5.998 173 HZ1 LYS 19 3HZ LYS 19 10.742 -7.712 7.770 174 HZ2 LYS 19 1HZ LYS 19 10.683 -6.018 7.907 175 HZ3 LYS 19 2HZ LYS 19 11.268 -6.731 6.486 176 H GLU 20 H GLU 20 4.424 -9.674 4.893 177 HA GLU 20 HA GLU 20 5.128 -12.308 5.456 178 HB2 GLU 20 2HB GLU 20 2.877 -11.229 5.450 179 HB3 GLU 20 1HB GLU 20 2.951 -11.182 3.699 180 HG2 GLU 20 2HG GLU 20 1.636 -12.993 4.329 181 HG3 GLU 20 1HG GLU 20 3.154 -13.618 3.705 182 H VAL 21 H VAL 21 4.739 -10.523 2.419 183 HA VAL 21 HA VAL 21 5.381 -12.626 0.667 184 HB VAL 21 HB VAL 21 5.854 -9.668 0.226 185 HG11 VAL 21 1HG1 VAL 21 7.056 -11.045 -1.386 186 HG12 VAL 21 2HG1 VAL 21 5.707 -10.209 -2.156 187 HG13 VAL 21 3HG1 VAL 21 5.571 -11.921 -1.760 188 HG21 VAL 21 3HG2 VAL 21 3.445 -11.378 -0.373 189 HG22 VAL 21 1HG2 VAL 21 3.670 -9.717 -0.922 190 HG23 VAL 21 2HG2 VAL 21 3.549 -10.066 0.802 191 H LEU 22 H LEU 22 7.448 -10.218 2.252 192 HA LEU 22 HA LEU 22 9.862 -10.960 1.007 193 HB2 LEU 22 2HB LEU 22 9.542 -8.908 2.360 194 HB3 LEU 22 1HB LEU 22 9.462 -9.897 3.804 195 HG LEU 22 HG LEU 22 11.786 -10.659 3.369 196 HD11 LEU 22 1HD1 LEU 22 11.849 -10.315 0.965 197 HD12 LEU 22 2HD1 LEU 22 13.147 -9.422 1.759 198 HD13 LEU 22 3HD1 LEU 22 11.706 -8.573 1.199 199 HD21 LEU 22 3HD2 LEU 22 11.388 -8.852 4.923 200 HD22 LEU 22 1HD2 LEU 22 11.370 -7.687 3.604 201 HD23 LEU 22 2HD2 LEU 22 12.860 -8.539 4.006 202 H LYS 23 H LYS 23 8.258 -12.115 3.920 203 HA LYS 23 HA LYS 23 10.161 -13.994 4.788 204 HB2 LYS 23 2HB LYS 23 8.089 -13.203 5.998 205 HB3 LYS 23 1HB LYS 23 7.155 -14.237 4.943 206 HG2 LYS 23 2HG LYS 23 8.676 -16.131 5.814 207 HG3 LYS 23 1HG LYS 23 9.054 -15.002 7.119 208 HD2 LYS 23 2HD LYS 23 6.300 -15.947 6.328 209 HD3 LYS 23 1HD LYS 23 7.215 -16.483 7.738 210 HE2 LYS 23 2HE LYS 23 7.056 -14.357 8.766 211 HE3 LYS 23 1HE LYS 23 6.489 -13.597 7.280 212 HZ1 LYS 23 3HZ LYS 23 4.972 -15.661 8.784 213 HZ2 LYS 23 1HZ LYS 23 4.432 -14.778 7.440 214 HZ3 LYS 23 2HZ LYS 23 4.706 -13.995 8.921 215 H LYS 24 H LYS 24 7.311 -14.315 2.777 216 HA LYS 24 HA LYS 24 7.662 -17.072 2.224 217 HB2 LYS 24 2HB LYS 24 5.879 -14.940 1.100 218 HB3 LYS 24 1HB LYS 24 5.885 -16.563 0.428 219 HG2 LYS 24 2HG LYS 24 5.443 -17.413 2.757 220 HG3 LYS 24 1HG LYS 24 5.189 -15.734 3.234 221 HD2 LYS 24 2HD LYS 24 3.350 -15.532 1.681 222 HD3 LYS 24 1HD LYS 24 3.656 -17.157 1.063 223 HE2 LYS 24 2HE LYS 24 2.726 -16.402 3.831 224 HE3 LYS 24 1HE LYS 24 1.803 -17.248 2.588 225 HZ1 LYS 24 3HZ LYS 24 4.174 -18.260 4.047 226 HZ2 LYS 24 1HZ LYS 24 3.490 -19.049 2.712 227 HZ3 LYS 24 2HZ LYS 24 2.595 -18.850 4.146 228 H ALA 25 H ALA 25 8.925 -14.231 0.686 229 HA ALA 25 HA ALA 25 9.639 -15.353 -1.794 230 HB1 ALA 25 1HB ALA 25 11.340 -13.590 -1.909 231 HB2 ALA 25 2HB ALA 25 11.085 -13.234 -0.200 232 HB3 ALA 25 3HB ALA 25 9.786 -12.958 -1.361 233 H LYS 26 H LYS 26 10.979 -15.664 1.392 234 HA LYS 26 HA LYS 26 13.417 -16.915 0.576 235 HB2 LYS 26 2HB LYS 26 12.013 -16.835 3.248 236 HB3 LYS 26 1HB LYS 26 13.605 -17.530 2.991 237 HG2 LYS 26 2HG LYS 26 12.891 -14.654 2.457 238 HG3 LYS 26 1HG LYS 26 13.664 -15.247 3.929 239 HD2 LYS 26 2HD LYS 26 15.537 -16.101 2.562 240 HD3 LYS 26 1HD LYS 26 14.774 -15.414 1.126 241 HE2 LYS 26 2HE LYS 26 15.001 -13.185 2.006 242 HE3 LYS 26 1HE LYS 26 15.586 -13.809 3.548 243 HZ1 LYS 26 3HZ LYS 26 17.412 -13.008 2.192 244 HZ2 LYS 26 1HZ LYS 26 16.983 -14.057 0.934 245 HZ3 LYS 26 2HZ LYS 26 17.541 -14.680 2.410 246 H GLU 27 H GLU 27 10.180 -17.978 1.278 247 HA GLU 27 HA GLU 27 10.536 -20.687 1.749 248 HB2 GLU 27 2HB GLU 27 8.332 -19.366 0.154 249 HB3 GLU 27 1HB GLU 27 8.265 -20.985 0.836 250 HG2 GLU 27 2HG GLU 27 8.572 -18.464 2.454 251 HG3 GLU 27 1HG GLU 27 7.041 -19.283 2.149 252 H GLY 28 H GLY 28 10.086 -19.048 -1.385 253 HA2 GLY 28 2HA GLY 28 11.544 -19.542 -3.216 254 HA3 GLY 28 1HA GLY 28 11.746 -21.163 -2.574 255 H ASP 29 H ASP 29 8.544 -20.697 -2.270 256 HA ASP 29 HA ASP 29 8.018 -22.119 -4.744 257 HB2 ASP 29 2HB ASP 29 6.923 -22.942 -2.725 258 HB3 ASP 29 1HB ASP 29 6.142 -21.378 -2.493 259 H GLU 30 H GLU 30 7.282 -21.247 -6.521 260 HA GLU 30 HA GLU 30 7.080 -18.396 -6.685 261 HB2 GLU 30 2HB GLU 30 6.569 -20.465 -8.825 262 HB3 GLU 30 1HB GLU 30 6.909 -18.758 -9.076 263 HG2 GLU 30 2HG GLU 30 9.148 -19.010 -8.312 264 HG3 GLU 30 1HG GLU 30 8.832 -20.654 -7.758 265 H GLN 31 H GLN 31 4.819 -21.059 -6.606 266 HA GLN 31 HA GLN 31 2.606 -19.643 -7.706 267 HB2 GLN 31 2HB GLN 31 2.690 -22.101 -5.950 268 HB3 GLN 31 1HB GLN 31 1.243 -21.488 -6.735 269 HG2 GLN 31 2HG GLN 31 3.723 -22.499 -8.107 270 HG3 GLN 31 1HG GLN 31 2.179 -23.338 -7.977 271 HE21 GLN 31 1HE2 GLN 31 3.959 -20.840 -9.575 272 HE22 GLN 31 2HE2 GLN 31 2.779 -20.488 -10.790 273 H GLU 32 H GLU 32 3.723 -20.295 -4.420 274 HA GLU 32 HA GLU 32 1.606 -19.063 -3.053 275 HB2 GLU 32 2HB GLU 32 3.548 -20.538 -2.184 276 HB3 GLU 32 1HB GLU 32 4.450 -19.033 -2.076 277 HG2 GLU 32 2HG GLU 32 3.081 -18.190 -0.403 278 HG3 GLU 32 1HG GLU 32 1.771 -19.314 -0.771 279 H LEU 33 H LEU 33 4.620 -17.776 -4.363 280 HA LEU 33 HA LEU 33 4.291 -15.125 -3.435 281 HB2 LEU 33 2HB LEU 33 5.789 -16.195 -5.827 282 HB3 LEU 33 1HB LEU 33 5.895 -14.542 -5.255 283 HG LEU 33 HG LEU 33 6.732 -16.985 -3.690 284 HD11 LEU 33 1HD1 LEU 33 8.996 -16.178 -4.039 285 HD12 LEU 33 2HD1 LEU 33 8.385 -14.840 -5.011 286 HD13 LEU 33 3HD1 LEU 33 8.206 -16.499 -5.584 287 HD21 LEU 33 3HD2 LEU 33 7.663 -15.376 -2.103 288 HD22 LEU 33 1HD2 LEU 33 5.915 -15.188 -2.251 289 HD23 LEU 33 2HD2 LEU 33 6.996 -14.047 -3.053 290 H ALA 34 H ALA 34 3.266 -16.776 -6.391 291 HA ALA 34 HA ALA 34 2.205 -14.544 -7.734 292 HB1 ALA 34 1HB ALA 34 1.305 -17.422 -7.876 293 HB2 ALA 34 2HB ALA 34 2.589 -16.691 -8.839 294 HB3 ALA 34 3HB ALA 34 0.919 -16.157 -9.046 295 H ARG 35 H ARG 35 0.816 -16.760 -5.369 296 HA ARG 35 HA ARG 35 -1.799 -15.763 -5.288 297 HB2 ARG 35 2HB ARG 35 -1.174 -17.794 -4.112 298 HB3 ARG 35 1HB ARG 35 -0.068 -16.903 -3.083 299 HG2 ARG 35 2HG ARG 35 -1.948 -17.308 -1.755 300 HG3 ARG 35 1HG ARG 35 -2.095 -15.624 -2.250 301 HD2 ARG 35 2HD ARG 35 -3.518 -17.954 -3.540 302 HD3 ARG 35 1HD ARG 35 -4.235 -16.851 -2.372 303 HE ARG 35 HE ARG 35 -3.206 -15.374 -4.533 304 HH11 ARG 35 1HH1 ARG 35 -5.856 -17.496 -3.686 305 HH12 ARG 35 2HH1 ARG 35 -6.896 -16.921 -4.958 306 HH21 ARG 35 1HH2 ARG 35 -4.548 -14.641 -6.220 307 HH22 ARG 35 2HH2 ARG 35 -6.129 -15.318 -6.430 308 H LEU 36 H LEU 36 1.064 -14.855 -3.434 309 HA LEU 36 HA LEU 36 -0.106 -12.822 -1.902 310 HB2 LEU 36 2HB LEU 36 2.757 -13.131 -2.789 311 HB3 LEU 36 1HB LEU 36 2.203 -12.072 -1.506 312 HG LEU 36 HG LEU 36 1.981 -15.083 -1.486 313 HD11 LEU 36 1HD1 LEU 36 3.730 -14.974 0.213 314 HD12 LEU 36 2HD1 LEU 36 3.851 -13.232 -0.029 315 HD13 LEU 36 3HD1 LEU 36 4.286 -14.337 -1.333 316 HD21 LEU 36 3HD2 LEU 36 0.209 -13.931 -0.223 317 HD22 LEU 36 1HD2 LEU 36 1.444 -13.062 0.686 318 HD23 LEU 36 2HD2 LEU 36 1.314 -14.814 0.831 319 H ASN 37 H ASN 37 1.397 -12.752 -5.085 320 HA ASN 37 HA ASN 37 1.664 -10.015 -5.455 321 HB2 ASN 37 2HB ASN 37 2.526 -11.674 -7.039 322 HB3 ASN 37 1HB ASN 37 0.882 -12.119 -7.485 323 HD21 ASN 37 1HD2 ASN 37 -0.266 -10.840 -8.879 324 HD22 ASN 37 2HD2 ASN 37 0.445 -9.525 -9.746 325 H GLN 38 H GLN 38 -1.166 -12.078 -6.023 326 HA GLN 38 HA GLN 38 -2.887 -10.055 -6.940 327 HB2 GLN 38 2HB GLN 38 -3.477 -12.680 -5.562 328 HB3 GLN 38 1HB GLN 38 -4.606 -11.727 -6.488 329 HG2 GLN 38 2HG GLN 38 -2.125 -12.996 -7.595 330 HG3 GLN 38 1HG GLN 38 -3.759 -13.647 -7.742 331 HE21 GLN 38 1HE2 GLN 38 -5.216 -12.675 -9.130 332 HE22 GLN 38 2HE2 GLN 38 -4.730 -11.533 -10.332 333 H GLU 39 H GLU 39 -2.154 -11.363 -3.752 334 HA GLU 39 HA GLU 39 -4.217 -10.034 -2.346 335 HB2 GLU 39 2HB GLU 39 -2.742 -12.007 -1.595 336 HB3 GLU 39 1HB GLU 39 -1.556 -10.785 -1.160 337 HG2 GLU 39 2HG GLU 39 -2.844 -11.440 0.776 338 HG3 GLU 39 1HG GLU 39 -3.174 -9.757 0.364 339 H ILE 40 H ILE 40 -0.926 -9.131 -3.220 340 HA ILE 40 HA ILE 40 -0.777 -6.742 -1.736 341 HB ILE 40 HB ILE 40 0.552 -7.468 -4.351 342 HG12 ILE 40 2HG1 ILE 40 1.597 -7.495 -1.506 343 HG13 ILE 40 1HG1 ILE 40 1.136 -8.918 -2.436 344 HG21 ILE 40 1HG2 ILE 40 0.465 -5.044 -4.081 345 HG22 ILE 40 2HG2 ILE 40 2.114 -5.643 -3.898 346 HG23 ILE 40 3HG2 ILE 40 1.179 -5.187 -2.473 347 HD11 ILE 40 3HD1 ILE 40 2.926 -8.504 -4.008 348 HD12 ILE 40 1HD1 ILE 40 3.562 -8.581 -2.364 349 HD13 ILE 40 2HD1 ILE 40 3.358 -7.018 -3.161 350 H VAL 41 H VAL 41 -1.832 -7.369 -5.075 351 HA VAL 41 HA VAL 41 -2.543 -4.754 -5.767 352 HB VAL 41 HB VAL 41 -3.885 -7.320 -6.655 353 HG11 VAL 41 1HG1 VAL 41 -5.243 -5.372 -7.167 354 HG12 VAL 41 2HG1 VAL 41 -4.535 -6.027 -8.645 355 HG13 VAL 41 3HG1 VAL 41 -3.855 -4.576 -7.908 356 HG21 VAL 41 3HG2 VAL 41 -1.494 -7.369 -7.080 357 HG22 VAL 41 1HG2 VAL 41 -1.582 -5.788 -7.859 358 HG23 VAL 41 2HG2 VAL 41 -2.381 -7.178 -8.593 359 H LYS 42 H LYS 42 -4.401 -7.317 -4.187 360 HA LYS 42 HA LYS 42 -6.844 -5.968 -3.924 361 HB2 LYS 42 2HB LYS 42 -5.560 -8.076 -2.186 362 HB3 LYS 42 1HB LYS 42 -7.211 -7.516 -1.970 363 HG2 LYS 42 2HG LYS 42 -7.880 -8.393 -4.062 364 HG3 LYS 42 1HG LYS 42 -6.209 -8.685 -4.548 365 HD2 LYS 42 2HD LYS 42 -7.333 -10.757 -3.866 366 HD3 LYS 42 1HD LYS 42 -5.976 -10.369 -2.806 367 HE2 LYS 42 2HE LYS 42 -7.637 -9.320 -1.239 368 HE3 LYS 42 1HE LYS 42 -8.913 -9.994 -2.255 369 HZ1 LYS 42 3HZ LYS 42 -8.437 -11.424 -0.374 370 HZ2 LYS 42 1HZ LYS 42 -6.813 -11.549 -0.843 371 HZ3 LYS 42 2HZ LYS 42 -8.038 -12.204 -1.825 372 H ALA 43 H ALA 43 -4.015 -6.026 -1.775 373 HA ALA 43 HA ALA 43 -5.172 -4.580 0.350 374 HB1 ALA 43 1HB ALA 43 -3.127 -5.904 0.593 375 HB2 ALA 43 2HB ALA 43 -2.884 -4.241 1.128 376 HB3 ALA 43 3HB ALA 43 -2.265 -4.763 -0.439 377 H GLU 44 H GLU 44 -3.136 -3.503 -2.362 378 HA GLU 44 HA GLU 44 -3.140 -0.767 -1.708 379 HB2 GLU 44 2HB GLU 44 -2.916 -2.070 -4.428 380 HB3 GLU 44 1HB GLU 44 -2.497 -0.403 -4.063 381 HG2 GLU 44 2HG GLU 44 -1.179 -2.778 -2.775 382 HG3 GLU 44 1HG GLU 44 -0.569 -1.980 -4.221 383 H LYS 45 H LYS 45 -5.277 -2.709 -3.741 384 HA LYS 45 HA LYS 45 -6.937 -0.666 -4.699 385 HB2 LYS 45 2HB LYS 45 -6.835 -3.448 -4.881 386 HB3 LYS 45 1HB LYS 45 -8.377 -3.128 -4.104 387 HG2 LYS 45 2HG LYS 45 -7.435 -2.143 -6.784 388 HG3 LYS 45 1HG LYS 45 -8.753 -3.262 -6.443 389 HD2 LYS 45 2HD LYS 45 -9.841 -1.359 -5.164 390 HD3 LYS 45 1HD LYS 45 -8.632 -0.308 -5.899 391 HE2 LYS 45 2HE LYS 45 -10.763 -1.927 -7.271 392 HE3 LYS 45 1HE LYS 45 -10.575 -0.176 -7.252 393 HZ1 LYS 45 3HZ LYS 45 -8.430 -0.532 -8.477 394 HZ2 LYS 45 1HZ LYS 45 -9.827 -0.948 -9.348 395 HZ3 LYS 45 2HZ LYS 45 -8.868 -2.159 -8.654 396 H GLN 46 H GLN 46 -7.144 -2.638 -1.764 397 HA GLN 46 HA GLN 46 -9.592 -1.638 -0.807 398 HB2 GLN 46 2HB GLN 46 -8.312 -3.680 0.008 399 HB3 GLN 46 1HB GLN 46 -7.289 -2.573 0.909 400 HG2 GLN 46 2HG GLN 46 -8.966 -3.479 2.363 401 HG3 GLN 46 1HG GLN 46 -9.266 -1.759 2.117 402 HE21 GLN 46 1HE2 GLN 46 -11.427 -1.993 2.709 403 HE22 GLN 46 2HE2 GLN 46 -12.585 -2.722 1.655 404 H GLY 47 H GLY 47 -6.246 -0.624 -0.260 405 HA2 GLY 47 2HA GLY 47 -6.750 1.492 1.516 406 HA3 GLY 47 1HA GLY 47 -5.369 1.384 0.432 407 H VAL 48 H VAL 48 -6.546 1.471 -2.029 408 HA VAL 48 HA VAL 48 -6.985 4.185 -2.493 409 HB VAL 48 HB VAL 48 -7.777 1.799 -4.173 410 HG11 VAL 48 1HG1 VAL 48 -7.641 4.703 -4.983 411 HG12 VAL 48 2HG1 VAL 48 -9.114 3.749 -4.813 412 HG13 VAL 48 3HG1 VAL 48 -7.938 3.340 -6.062 413 HG21 VAL 48 3HG2 VAL 48 -5.386 2.002 -3.754 414 HG22 VAL 48 1HG2 VAL 48 -5.417 3.668 -4.330 415 HG23 VAL 48 2HG2 VAL 48 -5.760 2.344 -5.442 416 H LYS 49 H LYS 49 -9.275 1.571 -1.953 417 HA LYS 49 HA LYS 49 -11.665 2.902 -2.523 418 HB2 LYS 49 2HB LYS 49 -11.073 0.403 -1.841 419 HB3 LYS 49 1HB LYS 49 -11.527 0.976 -0.245 420 HG2 LYS 49 2HG LYS 49 -13.311 1.195 -2.655 421 HG3 LYS 49 1HG LYS 49 -13.334 -0.168 -1.538 422 HD2 LYS 49 2HD LYS 49 -13.806 1.451 0.306 423 HD3 LYS 49 1HD LYS 49 -13.966 2.715 -0.918 424 HE2 LYS 49 2HE LYS 49 -15.764 1.428 -1.988 425 HE3 LYS 49 1HE LYS 49 -15.612 0.195 -0.738 426 HZ1 LYS 49 3HZ LYS 49 -17.405 1.581 -0.127 427 HZ2 LYS 49 1HZ LYS 49 -16.516 2.999 -0.407 428 HZ3 LYS 49 2HZ LYS 49 -16.126 1.989 0.904 429 H VAL 50 H VAL 50 -9.760 2.729 0.459 430 HA VAL 50 HA VAL 50 -11.582 4.252 2.036 431 HB VAL 50 HB VAL 50 -8.635 3.793 2.517 432 HG11 VAL 50 1HG1 VAL 50 -10.859 4.580 4.399 433 HG12 VAL 50 2HG1 VAL 50 -9.514 5.597 3.878 434 HG13 VAL 50 3HG1 VAL 50 -9.210 4.179 4.881 435 HG21 VAL 50 3HG2 VAL 50 -11.016 2.185 3.440 436 HG22 VAL 50 1HG2 VAL 50 -9.342 1.922 3.936 437 HG23 VAL 50 2HG2 VAL 50 -9.812 1.677 2.254 438 H TYR 51 H TYR 51 -8.598 5.044 0.271 439 HA TYR 51 HA TYR 51 -8.431 7.739 1.050 440 HB2 TYR 51 2HB TYR 51 -7.421 6.267 -1.373 441 HB3 TYR 51 1HB TYR 51 -7.186 8.002 -1.191 442 HD1 TYR 51 1HD TYR 51 -6.038 8.788 0.998 443 HD2 TYR 51 2HD TYR 51 -5.886 4.790 -0.435 444 HE1 TYR 51 1HE TYR 51 -4.038 8.383 2.367 445 HE2 TYR 51 2HE TYR 51 -3.885 4.366 0.928 446 HH TYR 51 HH TYR 51 -2.077 5.602 2.016 447 H LYS 52 H LYS 52 -10.115 6.212 -1.644 448 HA LYS 52 HA LYS 52 -10.986 8.527 -2.959 449 HB2 LYS 52 2HB LYS 52 -11.086 6.070 -3.710 450 HB3 LYS 52 1HB LYS 52 -12.574 5.968 -2.784 451 HG2 LYS 52 2HG LYS 52 -12.227 8.053 -4.907 452 HG3 LYS 52 1HG LYS 52 -12.698 6.405 -5.319 453 HD2 LYS 52 2HD LYS 52 -14.636 6.603 -3.814 454 HD3 LYS 52 1HD LYS 52 -14.170 8.266 -3.450 455 HE2 LYS 52 2HE LYS 52 -14.451 8.874 -5.789 456 HE3 LYS 52 1HE LYS 52 -14.859 7.206 -6.190 457 HZ1 LYS 52 3HZ LYS 52 -16.824 7.377 -4.820 458 HZ2 LYS 52 1HZ LYS 52 -16.827 8.618 -5.968 459 HZ3 LYS 52 2HZ LYS 52 -16.420 8.952 -4.355 460 H GLU 53 H GLU 53 -12.423 6.649 -0.338 461 HA GLU 53 HA GLU 53 -14.831 8.018 -0.032 462 HB2 GLU 53 2HB GLU 53 -13.374 6.002 1.286 463 HB3 GLU 53 1HB GLU 53 -13.733 7.215 2.506 464 HG2 GLU 53 2HG GLU 53 -15.789 5.979 0.701 465 HG3 GLU 53 1HG GLU 53 -15.405 5.398 2.317 466 H ALA 54 H ALA 54 -11.667 8.602 1.446 467 HA ALA 54 HA ALA 54 -12.551 10.748 3.099 468 HB1 ALA 54 1HB ALA 54 -10.621 9.343 3.659 469 HB2 ALA 54 2HB ALA 54 -10.203 11.056 3.625 470 HB3 ALA 54 3HB ALA 54 -9.745 10.010 2.281 471 H ALA 55 H ALA 55 -11.182 10.544 -0.116 472 HA ALA 55 HA ALA 55 -10.301 13.186 -0.404 473 HB1 ALA 55 1HB ALA 55 -9.683 11.387 -1.942 474 HB2 ALA 55 2HB ALA 55 -10.343 12.779 -2.801 475 HB3 ALA 55 3HB ALA 55 -11.338 11.343 -2.551 476 H GLU 56 H GLU 56 -13.508 11.787 -0.909 477 HA GLU 56 HA GLU 56 -14.580 14.232 -1.979 478 HB2 GLU 56 2HB GLU 56 -15.954 11.756 -0.927 479 HB3 GLU 56 1HB GLU 56 -16.785 13.104 -1.687 480 HG2 GLU 56 2HG GLU 56 -15.508 12.711 -3.742 481 HG3 GLU 56 1HG GLU 56 -14.732 11.327 -2.974 482 H LYS 57 H LYS 57 -13.945 12.980 1.116 483 HA LYS 57 HA LYS 57 -15.830 14.745 2.449 484 HB2 LYS 57 2HB LYS 57 -14.018 12.545 3.375 485 HB3 LYS 57 1HB LYS 57 -14.813 13.613 4.515 486 HG2 LYS 57 2HG LYS 57 -16.985 12.915 3.709 487 HG3 LYS 57 1HG LYS 57 -16.227 11.921 2.464 488 HD2 LYS 57 2HD LYS 57 -15.306 10.446 4.101 489 HD3 LYS 57 1HD LYS 57 -15.782 11.521 5.417 490 HE2 LYS 57 2HE LYS 57 -17.283 9.592 5.218 491 HE3 LYS 57 1HE LYS 57 -18.121 11.117 4.945 492 HZ1 LYS 57 3HZ LYS 57 -17.978 10.714 2.554 493 HZ2 LYS 57 1HZ LYS 57 -18.799 9.458 3.345 494 HZ3 LYS 57 2HZ LYS 57 -17.200 9.229 2.837 495 H ALA 58 H ALA 58 -13.123 15.372 0.985 496 HA ALA 58 HA ALA 58 -11.446 16.588 2.894 497 HB1 ALA 58 1HB ALA 58 -10.751 16.096 0.591 498 HB2 ALA 58 2HB ALA 58 -10.468 17.782 1.022 499 HB3 ALA 58 3HB ALA 58 -11.842 17.350 0.005 500 H ARG 59 H ARG 59 -11.898 18.235 4.186 501 HA ARG 59 HA ARG 59 -14.105 20.025 3.591 502 HB2 ARG 59 2HB ARG 59 -12.248 20.053 5.980 503 HB3 ARG 59 1HB ARG 59 -13.800 20.862 5.844 504 HG2 ARG 59 2HG ARG 59 -13.383 17.880 5.879 505 HG3 ARG 59 1HG ARG 59 -13.904 18.864 7.246 506 HD2 ARG 59 2HD ARG 59 -15.888 19.551 5.929 507 HD3 ARG 59 1HD ARG 59 -15.383 18.442 4.652 508 HE ARG 59 HE ARG 59 -15.540 17.055 7.108 509 HH11 ARG 59 1HH1 ARG 59 -17.622 18.515 4.700 510 HH12 ARG 59 2HH1 ARG 59 -18.971 17.487 5.056 511 HH21 ARG 59 1HH2 ARG 59 -17.298 15.668 7.550 512 HH22 ARG 59 2HH2 ARG 59 -18.783 15.856 6.667 513 H ASN 60 H ASN 60 -10.825 19.910 2.982 514 HA ASN 60 HA ASN 60 -10.711 22.618 2.055 515 HB2 ASN 60 2HB ASN 60 -10.239 23.078 4.382 516 HB3 ASN 60 1HB ASN 60 -9.066 21.771 4.454 517 HD21 ASN 60 1HD2 ASN 60 -7.013 22.159 3.948 518 HD22 ASN 60 2HD2 ASN 60 -6.412 23.690 3.395 519 HA PRO 61 HA PRO 61 -8.337 20.726 -1.098 520 HB2 PRO 61 2HB PRO 61 -6.438 22.809 -1.376 521 HB3 PRO 61 1HB PRO 61 -7.924 22.580 -2.298 522 HG2 PRO 61 2HG PRO 61 -7.398 24.326 0.046 523 HG3 PRO 61 1HG PRO 61 -8.520 24.560 -1.308 524 HD2 PRO 61 2HD PRO 61 -9.397 23.881 1.124 525 HD3 PRO 61 1HD PRO 61 -10.154 23.227 -0.345 526 H GLU 62 H GLU 62 -6.474 22.042 1.642 527 HA GLU 62 HA GLU 62 -4.005 20.913 1.077 528 HB2 GLU 62 2HB GLU 62 -5.426 21.646 3.603 529 HB3 GLU 62 1HB GLU 62 -3.853 20.893 3.655 530 HG2 GLU 62 2HG GLU 62 -4.495 23.456 2.232 531 HG3 GLU 62 1HG GLU 62 -3.739 23.334 3.820 532 H LYS 63 H LYS 63 -6.834 19.561 2.645 533 HA LYS 63 HA LYS 63 -5.719 17.098 3.447 534 HB2 LYS 63 2HB LYS 63 -7.820 17.926 4.355 535 HB3 LYS 63 1HB LYS 63 -8.566 17.865 2.767 536 HG2 LYS 63 2HG LYS 63 -8.361 15.422 2.772 537 HG3 LYS 63 1HG LYS 63 -7.632 15.497 4.378 538 HD2 LYS 63 2HD LYS 63 -9.651 16.482 5.282 539 HD3 LYS 63 1HD LYS 63 -10.377 16.528 3.676 540 HE2 LYS 63 2HE LYS 63 -11.245 14.650 4.941 541 HE3 LYS 63 1HE LYS 63 -10.285 14.079 3.576 542 HZ1 LYS 63 3HZ LYS 63 -9.866 12.876 5.676 543 HZ2 LYS 63 1HZ LYS 63 -9.264 14.309 6.359 544 HZ3 LYS 63 2HZ LYS 63 -8.473 13.603 5.038 545 H ARG 64 H ARG 64 -7.166 18.219 0.444 546 HA ARG 64 HA ARG 64 -7.431 15.669 -0.765 547 HB2 ARG 64 2HB ARG 64 -8.703 17.597 -1.573 548 HB3 ARG 64 1HB ARG 64 -7.215 18.406 -2.041 549 HG2 ARG 64 2HG ARG 64 -7.728 15.730 -3.209 550 HG3 ARG 64 1HG ARG 64 -8.725 17.071 -3.773 551 HD2 ARG 64 2HD ARG 64 -6.894 18.234 -4.624 552 HD3 ARG 64 1HD ARG 64 -5.742 17.333 -3.639 553 HE ARG 64 HE ARG 64 -6.085 15.442 -5.116 554 HH11 ARG 64 1HH1 ARG 64 -7.383 18.490 -6.258 555 HH12 ARG 64 2HH1 ARG 64 -7.224 18.066 -7.938 556 HH21 ARG 64 1HH2 ARG 64 -5.894 14.873 -7.316 557 HH22 ARG 64 2HH2 ARG 64 -6.387 16.012 -8.538 558 H GLN 65 H GLN 65 -4.849 18.108 -0.812 559 HA GLN 65 HA GLN 65 -3.262 16.954 -2.792 560 HB2 GLN 65 2HB GLN 65 -2.881 18.906 -0.626 561 HB3 GLN 65 1HB GLN 65 -1.426 18.072 -1.131 562 HG2 GLN 65 2HG GLN 65 -1.535 20.051 -2.402 563 HG3 GLN 65 1HG GLN 65 -1.979 18.735 -3.487 564 HE21 GLN 65 1HE2 GLN 65 -3.057 21.553 -1.805 565 HE22 GLN 65 2HE2 GLN 65 -4.590 21.692 -2.595 566 H VAL 66 H VAL 66 -3.325 16.388 0.704 567 HA VAL 66 HA VAL 66 -1.122 14.637 0.799 568 HB VAL 66 HB VAL 66 -3.544 14.670 2.619 569 HG11 VAL 66 1HG1 VAL 66 -2.053 13.662 4.275 570 HG12 VAL 66 2HG1 VAL 66 -0.756 13.609 3.082 571 HG13 VAL 66 3HG1 VAL 66 -2.208 12.638 2.846 572 HG21 VAL 66 3HG2 VAL 66 -2.191 16.118 4.063 573 HG22 VAL 66 1HG2 VAL 66 -2.491 16.860 2.491 574 HG23 VAL 66 2HG2 VAL 66 -0.919 16.141 2.841 575 H ILE 67 H ILE 67 -4.606 13.989 0.584 576 HA ILE 67 HA ILE 67 -4.426 11.185 0.495 577 HB ILE 67 HB ILE 67 -6.543 13.019 -0.636 578 HG12 ILE 67 2HG1 ILE 67 -6.483 11.472 1.964 579 HG13 ILE 67 1HG1 ILE 67 -6.119 13.190 1.819 580 HG21 ILE 67 1HG2 ILE 67 -6.673 10.830 -1.684 581 HG22 ILE 67 2HG2 ILE 67 -8.025 11.066 -0.578 582 HG23 ILE 67 3HG2 ILE 67 -6.663 10.054 -0.101 583 HD11 ILE 67 3HD1 ILE 67 -8.749 11.879 1.163 584 HD12 ILE 67 1HD1 ILE 67 -8.384 13.598 1.018 585 HD13 ILE 67 2HD1 ILE 67 -8.384 12.829 2.602 586 H ASP 68 H ASP 68 -4.571 13.615 -2.078 587 HA ASP 68 HA ASP 68 -4.803 11.877 -4.259 588 HB2 ASP 68 2HB ASP 68 -5.197 14.335 -4.334 589 HB3 ASP 68 1HB ASP 68 -3.460 14.584 -4.214 590 H LYS 69 H LYS 69 -1.901 13.358 -2.822 591 HA LYS 69 HA LYS 69 -0.134 12.267 -4.735 592 HB2 LYS 69 2HB LYS 69 0.380 13.312 -1.956 593 HB3 LYS 69 1HB LYS 69 1.653 12.842 -3.071 594 HG2 LYS 69 2HG LYS 69 -0.397 14.953 -3.698 595 HG3 LYS 69 1HG LYS 69 1.160 15.299 -2.952 596 HD2 LYS 69 2HD LYS 69 1.424 15.711 -5.270 597 HD3 LYS 69 1HD LYS 69 2.233 14.179 -4.947 598 HE2 LYS 69 2HE LYS 69 0.250 12.981 -5.781 599 HE3 LYS 69 1HE LYS 69 -0.525 14.526 -6.128 600 HZ1 LYS 69 3HZ LYS 69 0.600 13.356 -8.045 601 HZ2 LYS 69 1HZ LYS 69 2.078 13.755 -7.318 602 HZ3 LYS 69 2HZ LYS 69 1.021 14.988 -7.818 603 H ILE 70 H ILE 70 -1.062 11.138 -1.490 604 HA ILE 70 HA ILE 70 0.677 8.904 -1.489 605 HB ILE 70 HB ILE 70 -1.932 9.269 0.002 606 HG12 ILE 70 2HG1 ILE 70 0.932 9.732 0.872 607 HG13 ILE 70 1HG1 ILE 70 -0.240 10.992 0.506 608 HG21 ILE 70 1HG2 ILE 70 -1.068 7.534 1.510 609 HG22 ILE 70 2HG2 ILE 70 0.313 7.311 0.440 610 HG23 ILE 70 3HG2 ILE 70 -1.310 6.927 -0.128 611 HD11 ILE 70 3HD1 ILE 70 -1.619 10.255 2.375 612 HD12 ILE 70 1HD1 ILE 70 0.011 10.681 2.901 613 HD13 ILE 70 2HD1 ILE 70 -0.448 8.987 2.739 614 H LEU 71 H LEU 71 -2.675 9.347 -2.522 615 HA LEU 71 HA LEU 71 -3.317 6.717 -3.196 616 HB2 LEU 71 2HB LEU 71 -4.437 9.285 -3.524 617 HB3 LEU 71 1HB LEU 71 -4.368 8.582 -5.127 618 HG LEU 71 HG LEU 71 -5.710 7.321 -2.735 619 HD11 LEU 71 1HD1 LEU 71 -7.792 7.858 -3.899 620 HD12 LEU 71 2HD1 LEU 71 -6.876 8.701 -5.148 621 HD13 LEU 71 3HD1 LEU 71 -6.884 9.315 -3.495 622 HD21 LEU 71 3HD2 LEU 71 -6.602 5.729 -4.336 623 HD22 LEU 71 1HD2 LEU 71 -4.840 5.688 -4.344 624 HD23 LEU 71 2HD2 LEU 71 -5.709 6.511 -5.639 625 H GLU 72 H GLU 72 -1.784 9.262 -5.114 626 HA GLU 72 HA GLU 72 -1.553 7.782 -7.516 627 HB2 GLU 72 2HB GLU 72 -1.392 10.307 -7.130 628 HB3 GLU 72 1HB GLU 72 0.263 10.023 -6.630 629 HG2 GLU 72 2HG GLU 72 0.959 9.457 -8.740 630 HG3 GLU 72 1HG GLU 72 -0.660 8.998 -9.270 631 H ASP 73 H ASP 73 0.609 8.247 -4.752 632 HA ASP 73 HA ASP 73 2.794 6.778 -5.750 633 HB2 ASP 73 2HB ASP 73 1.862 7.452 -2.988 634 HB3 ASP 73 1HB ASP 73 3.118 6.237 -3.187 635 H GLU 74 H GLU 74 -0.150 5.730 -4.090 636 HA GLU 74 HA GLU 74 0.599 3.002 -3.886 637 HB2 GLU 74 2HB GLU 74 -2.165 4.223 -3.993 638 HB3 GLU 74 1HB GLU 74 -1.807 2.564 -3.537 639 HG2 GLU 74 2HG GLU 74 -0.865 5.019 -2.073 640 HG3 GLU 74 1HG GLU 74 -2.225 4.005 -1.600 641 H GLU 75 H GLU 75 -1.237 4.821 -6.325 642 HA GLU 75 HA GLU 75 -1.788 2.728 -8.079 643 HB2 GLU 75 2HB GLU 75 -1.192 5.641 -8.594 644 HB3 GLU 75 1HB GLU 75 -1.732 4.547 -9.845 645 HG2 GLU 75 2HG GLU 75 -3.238 5.437 -7.409 646 HG3 GLU 75 1HG GLU 75 -3.611 5.777 -9.097 647 H LYS 76 H LYS 76 1.053 4.755 -7.722 648 HA LYS 76 HA LYS 76 2.625 3.831 -9.831 649 HB2 LYS 76 2HB LYS 76 3.188 5.790 -8.514 650 HB3 LYS 76 1HB LYS 76 3.388 4.808 -7.074 651 HG2 LYS 76 2HG LYS 76 5.269 3.639 -8.319 652 HG3 LYS 76 1HG LYS 76 5.159 4.960 -9.488 653 HD2 LYS 76 2HD LYS 76 6.862 5.463 -7.833 654 HD3 LYS 76 1HD LYS 76 5.504 6.575 -7.652 655 HE2 LYS 76 2HE LYS 76 4.623 5.091 -5.846 656 HE3 LYS 76 1HE LYS 76 6.105 4.146 -5.969 657 HZ1 LYS 76 3HZ LYS 76 7.312 6.284 -5.487 658 HZ2 LYS 76 1HZ LYS 76 6.413 5.640 -4.201 659 HZ3 LYS 76 2HZ LYS 76 5.808 6.961 -5.082 660 H HIS 77 H HIS 77 2.192 2.561 -6.558 661 HA HIS 77 HA HIS 77 4.179 0.557 -6.677 662 HB2 HIS 77 2HB HIS 77 1.623 0.633 -5.057 663 HB3 HIS 77 1HB HIS 77 2.963 -0.475 -4.782 664 HD2 HIS 77 2HD HIS 77 5.157 2.152 -5.229 665 HE1 HIS 77 1HE HIS 77 3.442 3.195 -1.507 666 HE2 HIS 77 2HE HIS 77 5.403 3.575 -3.080 667 H ILE 78 H ILE 78 0.747 0.567 -7.473 668 HA ILE 78 HA ILE 78 0.554 -2.192 -8.077 669 HB ILE 78 HB ILE 78 -1.150 0.033 -9.211 670 HG12 ILE 78 2HG1 ILE 78 -1.501 -1.542 -6.649 671 HG13 ILE 78 1HG1 ILE 78 -1.019 0.149 -6.743 672 HG21 ILE 78 1HG2 ILE 78 -1.717 -2.896 -8.754 673 HG22 ILE 78 2HG2 ILE 78 -1.426 -2.128 -10.314 674 HG23 ILE 78 3HG2 ILE 78 -2.860 -1.708 -9.379 675 HD11 ILE 78 3HD1 ILE 78 -3.176 0.709 -7.732 676 HD12 ILE 78 1HD1 ILE 78 -3.368 -0.084 -6.168 677 HD13 ILE 78 2HD1 ILE 78 -3.654 -0.986 -7.655 678 H GLU 79 H GLU 79 1.353 0.662 -9.996 679 HA GLU 79 HA GLU 79 1.338 -0.400 -12.552 680 HB2 GLU 79 2HB GLU 79 3.076 1.695 -11.262 681 HB3 GLU 79 1HB GLU 79 3.189 1.303 -12.969 682 HG2 GLU 79 2HG GLU 79 0.674 2.221 -11.609 683 HG3 GLU 79 1HG GLU 79 1.789 3.282 -12.473 684 H TRP 80 H TRP 80 3.886 -0.505 -10.096 685 HA TRP 80 HA TRP 80 5.839 -1.755 -11.705 686 HB2 TRP 80 2HB TRP 80 5.470 -1.916 -8.708 687 HB3 TRP 80 1HB TRP 80 6.932 -2.349 -9.583 688 HD1 TRP 80 HD TRP 80 6.648 0.408 -11.496 689 HE1 TRP 80 1HE TRP 80 7.498 2.600 -10.435 690 HE3 TRP 80 3HE TRP 80 6.568 -0.990 -6.576 691 HZ2 TRP 80 2HZ TRP 80 8.073 3.586 -7.852 692 HZ3 TRP 80 3HZ TRP 80 7.294 0.630 -4.877 693 HH2 TRP 80 HH TRP 80 8.032 2.873 -5.505 694 H HIS 81 H HIS 81 3.380 -3.034 -9.511 695 HA HIS 81 HA HIS 81 4.221 -5.734 -9.739 696 HB2 HIS 81 2HB HIS 81 1.820 -4.375 -8.580 697 HB3 HIS 81 1HB HIS 81 1.823 -6.128 -8.773 698 HD1 HIS 81 1HD HIS 81 3.666 -3.382 -6.890 699 HD2 HIS 81 2HD HIS 81 3.338 -7.528 -6.990 700 HE1 HIS 81 1HE HIS 81 4.933 -4.257 -4.870 701 H LYS 82 H LYS 82 1.963 -3.761 -11.552 702 HA LYS 82 HA LYS 82 0.641 -5.776 -12.983 703 HB2 LYS 82 2HB LYS 82 1.443 -2.990 -13.844 704 HB3 LYS 82 1HB LYS 82 0.393 -4.038 -14.786 705 HG2 LYS 82 2HG LYS 82 -1.261 -4.029 -13.038 706 HG3 LYS 82 1HG LYS 82 -0.189 -3.099 -11.986 707 HD2 LYS 82 2HD LYS 82 -0.212 -1.273 -13.681 708 HD3 LYS 82 1HD LYS 82 -1.411 -2.191 -14.593 709 HE2 LYS 82 2HE LYS 82 -2.985 -2.040 -12.790 710 HE3 LYS 82 1HE LYS 82 -1.774 -1.327 -11.730 711 HZ1 LYS 82 3HZ LYS 82 -3.117 0.434 -12.480 712 HZ2 LYS 82 1HZ LYS 82 -3.070 -0.089 -14.095 713 HZ3 LYS 82 2HZ LYS 82 -1.677 0.558 -13.374 714 H ALA 83 H ALA 83 3.754 -4.204 -13.553 715 HA ALA 83 HA ALA 83 4.317 -5.578 -15.986 716 HB1 ALA 83 1HB ALA 83 6.204 -4.214 -14.067 717 HB2 ALA 83 2HB ALA 83 5.379 -3.450 -15.426 718 HB3 ALA 83 3HB ALA 83 6.583 -4.705 -15.719 719 H ALA 84 H ALA 84 4.891 -6.216 -12.600 720 HA ALA 84 HA ALA 84 6.747 -8.335 -12.933 721 HB1 ALA 84 1HB ALA 84 6.287 -8.846 -10.591 722 HB2 ALA 84 2HB ALA 84 4.893 -7.763 -10.624 723 HB3 ALA 84 3HB ALA 84 6.520 -7.113 -10.830 724 H SER 85 H SER 85 3.274 -8.127 -12.992 725 HA SER 85 HA SER 85 2.811 -10.936 -12.736 726 HB2 SER 85 2HB SER 85 0.959 -8.789 -13.797 727 HB3 SER 85 1HB SER 85 0.493 -10.402 -13.259 728 HG SER 85 HG SER 85 1.790 -8.514 -11.575 729 H LYS 86 H LYS 86 4.489 -11.427 -14.391 730 HA LYS 86 HA LYS 86 3.234 -12.313 -16.784 731 HB2 LYS 86 2HB LYS 86 3.711 -9.900 -17.345 732 HB3 LYS 86 1HB LYS 86 5.422 -10.247 -17.135 733 HG2 LYS 86 2HG LYS 86 5.384 -11.800 -18.968 734 HG3 LYS 86 1HG LYS 86 3.634 -11.633 -19.121 735 HD2 LYS 86 2HD LYS 86 5.708 -9.502 -19.620 736 HD3 LYS 86 1HD LYS 86 4.707 -10.309 -20.827 737 HE2 LYS 86 2HE LYS 86 3.752 -8.487 -18.622 738 HE3 LYS 86 1HE LYS 86 3.828 -8.100 -20.339 739 HZ1 LYS 86 3HZ LYS 86 2.131 -9.685 -20.799 740 HZ2 LYS 86 1HZ LYS 86 1.588 -8.725 -19.510 741 HZ3 LYS 86 2HZ LYS 86 2.166 -10.292 -19.216 742 H GLN 87 H GLN 87 6.519 -11.309 -15.845 743 HA GLN 87 HA GLN 87 7.283 -14.147 -15.850 744 HB2 GLN 87 2HB GLN 87 9.593 -13.408 -16.429 745 HB3 GLN 87 1HB GLN 87 8.413 -13.085 -17.687 746 HG2 GLN 87 2HG GLN 87 8.303 -10.746 -16.978 747 HG3 GLN 87 1HG GLN 87 9.515 -11.076 -15.738 748 HE21 GLN 87 1HE2 GLN 87 9.573 -12.525 -18.916 749 HE22 GLN 87 2HE2 GLN 87 10.979 -11.686 -19.487 750 H GLY 88 H GLY 88 7.583 -14.853 -13.877 751 HA2 GLY 88 2HA GLY 88 7.843 -12.931 -11.725 752 HA3 GLY 88 1HA GLY 88 7.500 -14.644 -11.558 753 H ASN 89 H ASN 89 10.010 -12.241 -12.000 754 HA ASN 89 HA ASN 89 12.078 -14.190 -11.319 755 HB2 ASN 89 2HB ASN 89 12.618 -12.417 -12.965 756 HB3 ASN 89 1HB ASN 89 12.288 -11.191 -11.744 757 HD21 ASN 89 1HD2 ASN 89 14.519 -13.549 -12.908 758 HD22 ASN 89 2HD2 ASN 89 15.825 -13.140 -11.843 759 H ALA 90 H ALA 90 12.275 -14.744 -9.258 760 HA ALA 90 HA ALA 90 10.902 -13.518 -7.163 761 HB1 ALA 90 1HB ALA 90 12.091 -15.014 -5.693 762 HB2 ALA 90 2HB ALA 90 13.309 -15.313 -6.935 763 HB3 ALA 90 3HB ALA 90 11.649 -15.858 -7.178 764 H GLU 91 H GLU 91 14.283 -13.127 -8.155 765 HA GLU 91 HA GLU 91 15.141 -11.687 -5.903 766 HB2 GLU 91 2HB GLU 91 16.131 -11.759 -8.746 767 HB3 GLU 91 1HB GLU 91 16.961 -10.916 -7.455 768 HG2 GLU 91 2HG GLU 91 16.386 -13.867 -7.541 769 HG3 GLU 91 1HG GLU 91 17.941 -13.106 -7.879 770 H GLN 92 H GLN 92 14.047 -10.566 -9.098 771 HA GLN 92 HA GLN 92 14.162 -7.808 -8.513 772 HB2 GLN 92 2HB GLN 92 12.472 -9.329 -10.508 773 HB3 GLN 92 1HB GLN 92 12.579 -7.577 -10.446 774 HG2 GLN 92 2HG GLN 92 14.900 -9.430 -10.922 775 HG3 GLN 92 1HG GLN 92 14.009 -8.574 -12.179 776 HE21 GLN 92 1HE2 GLN 92 16.825 -8.431 -11.484 777 HE22 GLN 92 2HE2 GLN 92 17.148 -6.774 -11.092 778 H PHE 93 H PHE 93 11.614 -10.211 -8.144 779 HA PHE 93 HA PHE 93 9.533 -8.398 -7.531 780 HB2 PHE 93 2HB PHE 93 9.185 -10.744 -8.275 781 HB3 PHE 93 1HB PHE 93 9.776 -11.301 -6.715 782 HD1 PHE 93 1HD PHE 93 7.154 -9.133 -8.227 783 HD2 PHE 93 2HD PHE 93 8.280 -11.663 -4.994 784 HE1 PHE 93 1HE PHE 93 4.870 -8.988 -7.325 785 HE2 PHE 93 2HE PHE 93 5.998 -11.523 -4.084 786 HZ PHE 93 HZ PHE 93 4.288 -10.185 -5.249 787 H ALA 94 H ALA 94 11.703 -10.322 -5.473 788 HA ALA 94 HA ALA 94 10.645 -9.488 -3.005 789 HB1 ALA 94 1HB ALA 94 12.754 -10.246 -2.041 790 HB2 ALA 94 2HB ALA 94 13.468 -10.323 -3.653 791 HB3 ALA 94 3HB ALA 94 12.138 -11.401 -3.222 792 H SER 95 H SER 95 13.147 -8.096 -5.075 793 HA SER 95 HA SER 95 13.919 -6.040 -3.300 794 HB2 SER 95 2HB SER 95 14.080 -6.200 -6.317 795 HB3 SER 95 1HB SER 95 14.950 -5.054 -5.306 796 HG SER 95 HG SER 95 15.341 -7.809 -5.622 797 H LEU 96 H LEU 96 11.487 -6.289 -5.844 798 HA LEU 96 HA LEU 96 10.631 -3.613 -5.886 799 HB2 LEU 96 2HB LEU 96 10.007 -5.295 -7.574 800 HB3 LEU 96 1HB LEU 96 9.034 -6.131 -6.380 801 HG LEU 96 HG LEU 96 7.550 -4.164 -6.215 802 HD11 LEU 96 1HD1 LEU 96 7.765 -2.369 -7.868 803 HD12 LEU 96 2HD1 LEU 96 9.269 -3.083 -8.450 804 HD13 LEU 96 3HD1 LEU 96 9.171 -2.443 -6.809 805 HD21 LEU 96 3HD2 LEU 96 6.991 -5.965 -7.753 806 HD22 LEU 96 1HD2 LEU 96 7.965 -5.213 -9.015 807 HD23 LEU 96 2HD2 LEU 96 6.513 -4.406 -8.425 808 H VAL 97 H VAL 97 9.491 -6.403 -4.035 809 HA VAL 97 HA VAL 97 7.440 -5.086 -2.642 810 HB VAL 97 HB VAL 97 9.046 -7.538 -1.912 811 HG11 VAL 97 1HG1 VAL 97 7.212 -8.067 -0.346 812 HG12 VAL 97 2HG1 VAL 97 6.532 -6.465 -0.635 813 HG13 VAL 97 3HG1 VAL 97 8.115 -6.625 0.126 814 HG21 VAL 97 3HG2 VAL 97 7.772 -7.805 -3.935 815 HG22 VAL 97 1HG2 VAL 97 6.330 -7.151 -3.161 816 HG23 VAL 97 2HG2 VAL 97 6.983 -8.706 -2.642 817 H GLN 98 H GLN 98 10.888 -5.462 -1.917 818 HA GLN 98 HA GLN 98 10.786 -4.418 0.705 819 HB2 GLN 98 2HB GLN 98 12.731 -5.649 -0.178 820 HB3 GLN 98 1HB GLN 98 13.086 -4.303 -1.255 821 HG2 GLN 98 2HG GLN 98 13.467 -2.851 0.663 822 HG3 GLN 98 1HG GLN 98 13.075 -4.176 1.756 823 HE21 GLN 98 1HE2 GLN 98 15.505 -2.600 1.519 824 HE22 GLN 98 2HE2 GLN 98 16.782 -3.734 1.241 825 H GLN 99 H GLN 99 11.258 -2.842 -2.441 826 HA GLN 99 HA GLN 99 11.684 -0.247 -1.346 827 HB2 GLN 99 2HB GLN 99 11.989 -1.327 -3.834 828 HB3 GLN 99 1HB GLN 99 10.513 -0.396 -4.052 829 HG2 GLN 99 2HG GLN 99 13.055 0.749 -2.922 830 HG3 GLN 99 1HG GLN 99 12.633 0.800 -4.632 831 HE21 GLN 99 1HE2 GLN 99 13.042 2.917 -2.584 832 HE22 GLN 99 2HE2 GLN 99 11.607 3.893 -2.657 833 H HIS 100 H HIS 100 8.866 -1.972 -2.594 834 HA HIS 100 HA HIS 100 6.945 0.042 -2.315 835 HB2 HIS 100 2HB HIS 100 6.570 -2.136 -3.459 836 HB3 HIS 100 1HB HIS 100 6.608 -2.945 -1.897 837 HD1 HIS 100 1HD HIS 100 4.119 -3.740 -2.700 838 HD2 HIS 100 2HD HIS 100 4.594 0.268 -1.731 839 HE1 HIS 100 1HE HIS 100 1.792 -2.814 -2.370 840 H LEU 101 H LEU 101 8.198 -2.318 -0.005 841 HA LEU 101 HA LEU 101 6.554 -1.762 2.175 842 HB2 LEU 101 2HB LEU 101 8.121 -3.652 2.063 843 HB3 LEU 101 1HB LEU 101 9.474 -2.545 2.162 844 HG LEU 101 HG LEU 101 8.667 -1.864 4.432 845 HD11 LEU 101 1HD1 LEU 101 6.335 -2.493 4.208 846 HD12 LEU 101 2HD1 LEU 101 7.074 -3.344 5.565 847 HD13 LEU 101 3HD1 LEU 101 6.789 -4.190 4.044 848 HD21 LEU 101 3HD2 LEU 101 10.468 -3.470 4.155 849 HD22 LEU 101 1HD2 LEU 101 9.300 -4.782 4.018 850 HD23 LEU 101 2HD2 LEU 101 9.462 -3.901 5.539 851 H GLN 102 H GLN 102 9.662 -0.303 1.260 852 HA GLN 102 HA GLN 102 10.007 1.453 3.333 853 HB2 GLN 102 2HB GLN 102 11.357 0.799 1.105 854 HB3 GLN 102 1HB GLN 102 10.708 2.359 0.602 855 HG2 GLN 102 2HG GLN 102 11.580 3.007 3.000 856 HG3 GLN 102 1HG GLN 102 12.696 1.697 2.657 857 HE21 GLN 102 1HE2 GLN 102 11.337 3.750 0.180 858 HE22 GLN 102 2HE2 GLN 102 12.809 4.563 -0.232 859 H ASP 103 H ASP 103 8.243 1.912 0.284 860 HA ASP 103 HA ASP 103 7.624 4.632 0.675 861 HB2 ASP 103 2HB ASP 103 6.876 2.531 -1.201 862 HB3 ASP 103 1HB ASP 103 5.550 3.633 -0.864 863 H GLU 104 H GLU 104 5.785 1.674 1.408 864 HA GLU 104 HA GLU 104 3.475 2.995 2.344 865 HB2 GLU 104 2HB GLU 104 4.528 0.267 3.117 866 HB3 GLU 104 1HB GLU 104 2.905 0.860 3.439 867 HG2 GLU 104 2HG GLU 104 4.128 0.363 0.735 868 HG3 GLU 104 1HG GLU 104 2.909 -0.626 1.534 869 H GLN 105 H GLN 105 6.439 1.958 3.970 870 HA GLN 105 HA GLN 105 5.685 2.601 6.591 871 HB2 GLN 105 2HB GLN 105 8.377 2.590 5.230 872 HB3 GLN 105 1HB GLN 105 8.162 2.859 6.946 873 HG2 GLN 105 2HG GLN 105 7.112 0.647 7.147 874 HG3 GLN 105 1HG GLN 105 7.410 0.379 5.430 875 HE21 GLN 105 1HE2 GLN 105 9.645 2.063 7.523 876 HE22 GLN 105 2HE2 GLN 105 10.877 0.848 7.518 877 H ARG 106 H ARG 106 6.992 4.542 3.960 878 HA ARG 106 HA ARG 106 7.388 6.893 5.537 879 HB2 ARG 106 2HB ARG 106 8.377 6.207 3.198 880 HB3 ARG 106 1HB ARG 106 6.927 6.985 2.579 881 HG2 ARG 106 2HG ARG 106 8.807 8.526 2.604 882 HG3 ARG 106 1HG ARG 106 7.541 9.056 3.718 883 HD2 ARG 106 2HD ARG 106 8.766 8.163 5.596 884 HD3 ARG 106 1HD ARG 106 9.989 7.492 4.522 885 HE ARG 106 HE ARG 106 10.086 10.129 3.946 886 HH11 ARG 106 1HH1 ARG 106 10.103 8.370 6.961 887 HH12 ARG 106 2HH1 ARG 106 11.158 9.477 7.779 888 HH21 ARG 106 1HH2 ARG 106 11.495 11.615 4.994 889 HH22 ARG 106 2HH2 ARG 106 11.936 11.346 6.650 890 H HIS 107 H HIS 107 4.739 5.599 3.608 891 HA HIS 107 HA HIS 107 3.007 7.814 3.729 892 HB2 HIS 107 2HB HIS 107 2.419 4.847 3.657 893 HB3 HIS 107 1HB HIS 107 1.166 6.079 3.548 894 HD2 HIS 107 2HD HIS 107 3.537 7.749 1.478 895 HE1 HIS 107 1HE HIS 107 1.991 4.778 -1.108 896 HE2 HIS 107 2HE HIS 107 3.126 7.037 -0.982 897 H VAL 108 H VAL 108 3.431 5.055 5.909 898 HA VAL 108 HA VAL 108 1.601 5.853 7.886 899 HB VAL 108 HB VAL 108 4.137 4.227 8.180 900 HG11 VAL 108 1HG1 VAL 108 1.773 4.444 10.043 901 HG12 VAL 108 2HG1 VAL 108 3.392 5.077 10.338 902 HG13 VAL 108 3HG1 VAL 108 3.134 3.336 10.222 903 HG21 VAL 108 3HG2 VAL 108 2.537 3.293 6.578 904 HG22 VAL 108 1HG2 VAL 108 1.277 3.341 7.811 905 HG23 VAL 108 2HG2 VAL 108 2.676 2.289 8.020 906 H GLU 109 H GLU 109 5.039 6.551 7.449 907 HA GLU 109 HA GLU 109 5.534 8.001 9.765 908 HB2 GLU 109 2HB GLU 109 6.671 8.080 6.988 909 HB3 GLU 109 1HB GLU 109 7.224 9.212 8.204 910 HG2 GLU 109 2HG GLU 109 7.299 6.222 8.491 911 HG3 GLU 109 1HG GLU 109 8.659 7.225 7.987 912 H GLU 110 H GLU 110 4.190 9.070 6.669 913 HA GLU 110 HA GLU 110 4.111 11.824 7.189 914 HB2 GLU 110 2HB GLU 110 3.417 10.190 5.095 915 HB3 GLU 110 1HB GLU 110 1.845 10.741 5.649 916 HG2 GLU 110 2HG GLU 110 4.135 12.534 4.870 917 HG3 GLU 110 1HG GLU 110 2.772 12.116 3.837 918 H ILE 111 H ILE 111 1.752 9.264 7.804 919 HA ILE 111 HA ILE 111 -0.278 11.022 8.762 920 HB ILE 111 HB ILE 111 -0.063 8.026 9.066 921 HG12 ILE 111 2HG1 ILE 111 -1.525 9.667 6.985 922 HG13 ILE 111 1HG1 ILE 111 -0.008 8.819 6.710 923 HG21 ILE 111 1HG2 ILE 111 -2.513 8.126 9.342 924 HG22 ILE 111 2HG2 ILE 111 -2.420 9.887 9.351 925 HG23 ILE 111 3HG2 ILE 111 -1.650 8.955 10.636 926 HD11 ILE 111 3HD1 ILE 111 -1.121 6.693 7.158 927 HD12 ILE 111 1HD1 ILE 111 -1.880 7.566 5.828 928 HD13 ILE 111 2HD1 ILE 111 -2.640 7.548 7.419 929 H GLU 112 H GLU 112 1.971 8.788 10.452 930 HA GLU 112 HA GLU 112 0.535 8.950 12.863 931 HB2 GLU 112 2HB GLU 112 3.190 7.839 12.093 932 HB3 GLU 112 1HB GLU 112 2.729 7.929 13.780 933 HG2 GLU 112 2HG GLU 112 0.560 6.743 12.977 934 HG3 GLU 112 1HG GLU 112 1.548 6.301 11.586 935 H LYS 113 H LYS 113 3.286 10.848 11.697 936 HA LYS 113 HA LYS 113 3.260 12.181 14.317 937 HB2 LYS 113 2HB LYS 113 5.480 13.229 13.413 938 HB3 LYS 113 1HB LYS 113 5.469 11.618 14.107 939 HG2 LYS 113 2HG LYS 113 5.115 11.890 11.172 940 HG3 LYS 113 1HG LYS 113 6.717 12.151 11.861 941 HD2 LYS 113 2HD LYS 113 5.037 9.690 12.346 942 HD3 LYS 113 1HD LYS 113 6.294 9.809 11.116 943 HE2 LYS 113 2HE LYS 113 7.947 10.267 12.865 944 HE3 LYS 113 1HE LYS 113 6.688 10.119 14.091 945 HZ1 LYS 113 3HZ LYS 113 7.495 7.959 12.206 946 HZ2 LYS 113 1HZ LYS 113 6.368 7.825 13.466 947 HZ3 LYS 113 2HZ LYS 113 8.007 8.077 13.820 948 H LYS 114 H LYS 114 1.417 12.571 12.035 949 HA LYS 114 HA LYS 114 1.846 15.439 11.590 950 HB2 LYS 114 2HB LYS 114 1.306 14.264 9.573 951 HB3 LYS 114 1HB LYS 114 -0.052 13.448 10.333 952 HG2 LYS 114 2HG LYS 114 -1.353 15.411 10.343 953 HG3 LYS 114 1HG LYS 114 0.039 16.431 9.984 954 HD2 LYS 114 2HD LYS 114 -0.873 14.302 8.078 955 HD3 LYS 114 1HD LYS 114 -1.613 15.905 8.086 956 HE2 LYS 114 2HE LYS 114 0.609 16.906 7.741 957 HE3 LYS 114 1HE LYS 114 1.317 15.293 7.690 958 HZ1 LYS 114 3HZ LYS 114 0.285 14.809 5.686 959 HZ2 LYS 114 1HZ LYS 114 0.773 16.422 5.489 960 HZ3 LYS 114 2HZ LYS 114 -0.849 16.070 5.838 961 H ASN 115 H ASN 115 -0.092 16.865 11.928 962 HA ASN 115 HA ASN 115 -1.800 15.894 14.106 963 HB2 ASN 115 2HB ASN 115 -1.637 18.058 15.215 964 HB3 ASN 115 1HB ASN 115 -0.035 17.357 15.033 965 HD21 ASN 115 1HD2 ASN 115 1.377 18.234 13.452 966 HD22 ASN 115 2HD2 ASN 115 1.162 19.856 12.884
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