NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
25807 | 2kc9 | 16066 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 10.888 15.083 -1.077 2 HA MET 1 HA MET 1 11.654 14.796 -3.886 3 HB2 MET 1 HB2 MET 1 13.398 14.146 -2.198 4 HB3 MET 1 HB1 MET 1 12.216 13.039 -1.503 5 HG2 MET 1 HG2 MET 1 12.174 11.767 -3.594 6 HG3 MET 1 HG1 MET 1 13.359 12.873 -4.283 7 HE1 MET 1 HE1 MET 1 14.960 10.881 -4.937 8 HE2 MET 1 HE2 MET 1 13.785 9.731 -4.299 9 HE3 MET 1 HE3 MET 1 15.476 9.622 -3.815 10 H ALA 2 HN ALA 2 10.390 13.433 -4.975 11 HA ALA 2 HA ALA 2 8.155 12.214 -3.514 12 HB1 ALA 2 HB1 ALA 2 8.021 13.450 -6.262 13 HB2 ALA 2 HB2 ALA 2 7.402 14.182 -4.776 14 HB3 ALA 2 HB3 ALA 2 6.695 12.683 -5.381 15 H TYR 3 HN TYR 3 7.555 10.235 -4.126 16 HA TYR 3 HA TYR 3 9.397 8.838 -5.922 17 HB2 TYR 3 HB2 TYR 3 7.704 7.796 -3.629 18 HB3 TYR 3 HB1 TYR 3 8.649 6.781 -4.706 19 HD1 TYR 3 HD1 TYR 3 9.171 9.810 -2.572 20 HD2 TYR 3 HD2 TYR 3 10.694 6.064 -3.891 21 HE1 TYR 3 HE1 TYR 3 11.084 10.081 -1.082 22 HE2 TYR 3 HE2 TYR 3 12.629 6.329 -2.392 23 HH TYR 3 HH TYR 3 13.840 8.250 -1.319 24 H PHE 4 HN PHE 4 8.267 6.861 -6.890 25 HA PHE 4 HA PHE 4 5.842 7.843 -8.178 26 HB2 PHE 4 HB2 PHE 4 7.684 5.540 -8.816 27 HB3 PHE 4 HB1 PHE 4 6.309 6.006 -9.818 28 HD1 PHE 4 HD1 PHE 4 6.386 8.692 -10.334 29 HD2 PHE 4 HD2 PHE 4 9.732 6.181 -9.551 30 HE1 PHE 4 HE1 PHE 4 7.842 10.273 -11.514 31 HE2 PHE 4 HE2 PHE 4 11.197 7.760 -10.729 32 HZ PHE 4 HZ PHE 4 10.255 9.811 -11.714 33 H LEU 5 HN LEU 5 4.110 6.128 -8.583 34 HA LEU 5 HA LEU 5 3.922 4.337 -6.242 35 HB2 LEU 5 HB2 LEU 5 2.471 6.566 -6.400 36 HB3 LEU 5 HB1 LEU 5 1.508 5.617 -7.501 37 HG LEU 5 HG LEU 5 0.453 5.605 -5.355 38 HD11 LEU 5 HD11 LEU 5 0.196 3.516 -6.446 39 HD12 LEU 5 HD12 LEU 5 0.438 3.227 -4.711 40 HD13 LEU 5 HD13 LEU 5 1.756 2.963 -5.838 41 HD21 LEU 5 HD21 LEU 5 3.052 4.632 -4.228 42 HD22 LEU 5 HD22 LEU 5 1.539 4.734 -3.339 43 HD23 LEU 5 HD23 LEU 5 2.299 6.204 -3.946 44 H ASP 6 HN ASP 6 3.422 2.256 -6.797 45 HA ASP 6 HA ASP 6 2.207 1.708 -9.410 46 HB2 ASP 6 HB2 ASP 6 4.691 1.386 -9.590 47 HB3 ASP 6 HB1 ASP 6 4.591 0.217 -8.283 48 H PHE 7 HN PHE 7 1.362 -0.554 -9.467 49 HA PHE 7 HA PHE 7 0.401 -1.428 -6.811 50 HB2 PHE 7 HB2 PHE 7 -1.322 -0.996 -9.256 51 HB3 PHE 7 HB1 PHE 7 -1.847 -1.799 -7.792 52 HD1 PHE 7 HD1 PHE 7 -1.012 1.405 -9.350 53 HD2 PHE 7 HD2 PHE 7 -2.416 -0.535 -5.835 54 HE1 PHE 7 HE1 PHE 7 -1.825 3.558 -8.492 55 HE2 PHE 7 HE2 PHE 7 -3.229 1.614 -4.966 56 HZ PHE 7 HZ PHE 7 -2.936 3.662 -6.292 57 H ASP 8 HN ASP 8 0.238 -3.621 -6.610 58 HA ASP 8 HA ASP 8 1.116 -5.331 -8.730 59 HB2 ASP 8 HB2 ASP 8 1.587 -5.944 -6.419 60 HB3 ASP 8 HB1 ASP 8 -0.137 -5.967 -6.054 61 H GLU 9 HN GLU 9 -0.147 -6.952 -9.775 62 HA GLU 9 HA GLU 9 -2.666 -5.964 -10.496 63 HB2 GLU 9 HB2 GLU 9 -2.863 -7.793 -12.072 64 HB3 GLU 9 HB1 GLU 9 -1.250 -7.123 -12.133 65 HG2 GLU 9 HG2 GLU 9 -0.781 -9.357 -12.254 66 HG3 GLU 9 HG1 GLU 9 -0.732 -9.122 -10.508 67 H ARG 10 HN ARG 10 -1.783 -8.303 -8.039 68 HA ARG 10 HA ARG 10 -4.445 -9.296 -7.729 69 HB2 ARG 10 HB2 ARG 10 -2.172 -9.233 -5.708 70 HB3 ARG 10 HB1 ARG 10 -3.651 -10.163 -5.539 71 HG2 ARG 10 HG2 ARG 10 -3.035 -11.530 -7.459 72 HG3 ARG 10 HG1 ARG 10 -1.589 -10.549 -7.692 73 HD2 ARG 10 HD2 ARG 10 -0.799 -11.247 -5.451 74 HD3 ARG 10 HD1 ARG 10 -2.214 -12.287 -5.303 75 HE ARG 10 HE ARG 10 -1.082 -13.066 -7.631 76 HH11 ARG 10 HH11 ARG 10 0.234 -12.774 -4.335 77 HH12 ARG 10 HH12 ARG 10 1.363 -14.027 -4.545 78 HH21 ARG 10 HH21 ARG 10 0.484 -14.825 -7.848 79 HH22 ARG 10 HH22 ARG 10 1.518 -15.196 -6.538 80 H ALA 11 HN ALA 11 -2.484 -6.775 -6.309 81 HA ALA 11 HA ALA 11 -4.327 -5.804 -4.438 82 HB1 ALA 11 HB1 ALA 11 -2.979 -3.760 -4.419 83 HB2 ALA 11 HB2 ALA 11 -2.169 -4.265 -5.899 84 HB3 ALA 11 HB3 ALA 11 -1.945 -5.187 -4.412 85 H LEU 12 HN LEU 12 -3.886 -5.100 -7.875 86 HA LEU 12 HA LEU 12 -5.625 -2.922 -8.055 87 HB2 LEU 12 HB2 LEU 12 -4.681 -4.939 -10.047 88 HB3 LEU 12 HB1 LEU 12 -5.820 -3.687 -10.486 89 HG LEU 12 HG LEU 12 -3.047 -3.181 -9.390 90 HD11 LEU 12 HD11 LEU 12 -4.112 -2.970 -12.200 91 HD12 LEU 12 HD12 LEU 12 -2.984 -4.194 -11.623 92 HD13 LEU 12 HD13 LEU 12 -2.499 -2.497 -11.669 93 HD21 LEU 12 HD21 LEU 12 -5.132 -1.334 -10.553 94 HD22 LEU 12 HD22 LEU 12 -3.483 -0.876 -10.151 95 HD23 LEU 12 HD23 LEU 12 -4.589 -1.369 -8.873 96 H LYS 13 HN LYS 13 -6.227 -6.348 -8.234 97 HA LYS 13 HA LYS 13 -8.899 -6.194 -9.130 98 HB2 LYS 13 HB2 LYS 13 -7.474 -8.285 -7.486 99 HB3 LYS 13 HB1 LYS 13 -9.086 -8.494 -8.155 100 HG2 LYS 13 HG2 LYS 13 -8.311 -8.564 -10.340 101 HG3 LYS 13 HG1 LYS 13 -6.791 -7.776 -9.914 102 HD2 LYS 13 HD2 LYS 13 -6.106 -9.739 -8.681 103 HD3 LYS 13 HD1 LYS 13 -7.615 -10.557 -9.101 104 HE2 LYS 13 HE2 LYS 13 -5.565 -11.124 -10.502 105 HE3 LYS 13 HE1 LYS 13 -7.015 -10.670 -11.398 106 HZ1 LYS 13 HZ1 LYS 13 -4.991 -8.654 -10.684 107 HZ2 LYS 13 HZ2 LYS 13 -6.045 -8.637 -12.008 108 HZ3 LYS 13 HZ3 LYS 13 -4.714 -9.687 -11.968 109 H GLU 14 HN GLU 14 -7.444 -6.384 -5.893 110 HA GLU 14 HA GLU 14 -9.881 -6.229 -4.510 111 HB2 GLU 14 HB2 GLU 14 -7.113 -5.482 -3.590 112 HB3 GLU 14 HB1 GLU 14 -8.499 -5.809 -2.557 113 HG2 GLU 14 HG2 GLU 14 -7.099 -7.749 -4.368 114 HG3 GLU 14 HG1 GLU 14 -7.033 -7.725 -2.612 115 H TRP 15 HN TRP 15 -7.568 -3.825 -5.570 116 HA TRP 15 HA TRP 15 -8.526 -1.536 -4.295 117 HB2 TRP 15 HB2 TRP 15 -6.375 -1.671 -5.460 118 HB3 TRP 15 HB1 TRP 15 -7.206 -1.873 -6.990 119 HD1 TRP 15 HD1 TRP 15 -8.093 0.295 -8.190 120 HE1 TRP 15 HE1 TRP 15 -7.662 2.813 -7.790 121 HE3 TRP 15 HE3 TRP 15 -6.021 0.040 -3.544 122 HZ2 TRP 15 HZ2 TRP 15 -6.601 4.432 -5.805 123 HZ3 TRP 15 HZ3 TRP 15 -5.323 2.129 -2.458 124 HH2 TRP 15 HH2 TRP 15 -5.605 4.271 -3.556 125 H ARG 16 HN ARG 16 -9.331 -2.873 -7.465 126 HA ARG 16 HA ARG 16 -11.261 -0.842 -8.030 127 HB2 ARG 16 HB2 ARG 16 -10.667 -3.471 -9.378 128 HB3 ARG 16 HB1 ARG 16 -11.811 -2.289 -10.000 129 HG2 ARG 16 HG2 ARG 16 -10.049 -0.646 -10.234 130 HG3 ARG 16 HG1 ARG 16 -8.892 -1.757 -9.502 131 HD2 ARG 16 HD2 ARG 16 -9.179 -3.297 -11.343 132 HD3 ARG 16 HD1 ARG 16 -10.395 -2.241 -12.056 133 HE ARG 16 HE ARG 16 -8.127 -0.724 -11.711 134 HH11 ARG 16 HH11 ARG 16 -9.030 -3.610 -13.542 135 HH12 ARG 16 HH12 ARG 16 -8.014 -3.312 -14.853 136 HH21 ARG 16 HH21 ARG 16 -6.724 -0.244 -13.543 137 HH22 ARG 16 HH22 ARG 16 -6.639 -1.337 -14.854 138 H LYS 17 HN LYS 17 -11.306 -3.804 -6.398 139 HA LYS 17 HA LYS 17 -14.139 -4.311 -6.426 140 HB2 LYS 17 HB2 LYS 17 -12.486 -6.057 -6.032 141 HB3 LYS 17 HB1 LYS 17 -11.917 -5.222 -4.598 142 HG2 LYS 17 HG2 LYS 17 -14.206 -5.572 -3.612 143 HG3 LYS 17 HG1 LYS 17 -14.560 -6.599 -5.003 144 HD2 LYS 17 HD2 LYS 17 -12.335 -7.022 -3.005 145 HD3 LYS 17 HD1 LYS 17 -13.828 -7.954 -3.110 146 HE2 LYS 17 HE2 LYS 17 -13.190 -8.689 -5.361 147 HE3 LYS 17 HE1 LYS 17 -11.703 -7.749 -5.225 148 HZ1 LYS 17 HZ1 LYS 17 -11.013 -9.119 -3.394 149 HZ2 LYS 17 HZ2 LYS 17 -11.291 -10.058 -4.740 150 HZ3 LYS 17 HZ3 LYS 17 -12.422 -10.054 -3.480 151 H LEU 18 HN LEU 18 -11.834 -2.627 -4.444 152 HA LEU 18 HA LEU 18 -13.219 -2.247 -2.124 153 HB2 LEU 18 HB2 LEU 18 -10.848 -1.250 -3.327 154 HB3 LEU 18 HB1 LEU 18 -11.717 0.094 -2.625 155 HG LEU 18 HG LEU 18 -11.689 -1.048 -0.434 156 HD11 LEU 18 HD11 LEU 18 -9.970 -3.085 -1.827 157 HD12 LEU 18 HD12 LEU 18 -11.600 -3.353 -1.211 158 HD13 LEU 18 HD13 LEU 18 -10.284 -2.988 -0.094 159 HD21 LEU 18 HD21 LEU 18 -9.320 -0.735 -0.015 160 HD22 LEU 18 HD22 LEU 18 -9.984 0.549 -1.026 161 HD23 LEU 18 HD23 LEU 18 -9.012 -0.731 -1.752 162 H GLY 19 HN GLY 19 -14.377 -0.521 -1.307 163 HA2 GLY 19 HA2 GLY 19 -16.333 0.642 -2.925 164 HA3 GLY 19 HA1 GLY 19 -15.948 1.152 -1.280 165 H SER 20 HN SER 20 -16.539 2.615 -3.823 166 HA SER 20 HA SER 20 -14.407 3.792 -5.056 167 HB2 SER 20 HB2 SER 20 -17.010 5.150 -4.354 168 HB3 SER 20 HB1 SER 20 -15.953 5.497 -5.727 169 HG SER 20 HG SER 20 -16.683 3.829 -6.754 170 H THR 21 HN THR 21 -16.096 5.019 -2.209 171 HA THR 21 HA THR 21 -14.482 7.318 -1.866 172 HB THR 21 HB THR 21 -16.209 5.908 0.173 173 HG1 THR 21 HG1 THR 21 -17.673 6.359 -1.298 174 HG21 THR 21 HG21 THR 21 -14.778 7.692 1.101 175 HG22 THR 21 HG22 THR 21 -16.478 8.158 1.127 176 HG23 THR 21 HG23 THR 21 -15.402 8.817 -0.107 177 H VAL 22 HN VAL 22 -14.268 4.022 -0.764 178 HA VAL 22 HA VAL 22 -12.416 4.435 1.366 179 HB VAL 22 HB VAL 22 -13.117 1.972 -0.254 180 HG11 VAL 22 HG11 VAL 22 -12.144 0.654 1.534 181 HG12 VAL 22 HG12 VAL 22 -11.748 2.112 2.421 182 HG13 VAL 22 HG13 VAL 22 -10.927 1.764 0.893 183 HG21 VAL 22 HG21 VAL 22 -14.508 1.357 1.668 184 HG22 VAL 22 HG22 VAL 22 -15.026 2.865 0.915 185 HG23 VAL 22 HG23 VAL 22 -14.117 2.901 2.429 186 H ARG 23 HN ARG 23 -12.169 3.254 -1.973 187 HA ARG 23 HA ARG 23 -9.362 3.114 -1.835 188 HB2 ARG 23 HB2 ARG 23 -9.391 2.804 -4.302 189 HB3 ARG 23 HB1 ARG 23 -10.365 1.669 -3.390 190 HG2 ARG 23 HG2 ARG 23 -12.316 2.478 -4.170 191 HG3 ARG 23 HG1 ARG 23 -11.698 4.071 -4.585 192 HD2 ARG 23 HD2 ARG 23 -10.352 3.061 -6.336 193 HD3 ARG 23 HD1 ARG 23 -10.915 1.455 -5.890 194 HE ARG 23 HE ARG 23 -13.184 2.868 -6.461 195 HH11 ARG 23 HH11 ARG 23 -10.222 2.113 -8.230 196 HH12 ARG 23 HH12 ARG 23 -10.973 1.970 -9.748 197 HH21 ARG 23 HH21 ARG 23 -14.248 2.677 -8.618 198 HH22 ARG 23 HH22 ARG 23 -13.260 2.282 -9.959 199 H GLU 24 HN GLU 24 -11.542 5.621 -2.915 200 HA GLU 24 HA GLU 24 -9.679 7.338 -4.037 201 HB2 GLU 24 HB2 GLU 24 -12.257 7.714 -2.637 202 HB3 GLU 24 HB1 GLU 24 -11.322 9.147 -2.978 203 HG2 GLU 24 HG2 GLU 24 -12.209 7.085 -4.994 204 HG3 GLU 24 HG1 GLU 24 -13.028 8.624 -4.704 205 H GLN 25 HN GLN 25 -10.581 6.972 -0.632 206 HA GLN 25 HA GLN 25 -8.836 9.065 0.146 207 HB2 GLN 25 HB2 GLN 25 -10.286 6.962 1.710 208 HB3 GLN 25 HB1 GLN 25 -9.241 8.150 2.479 209 HG2 GLN 25 HG2 GLN 25 -10.603 9.949 1.652 210 HG3 GLN 25 HG1 GLN 25 -11.583 8.819 0.723 211 HE21 GLN 25 HE21 GLN 25 -12.976 7.557 1.728 212 HE22 GLN 25 HE22 GLN 25 -13.560 7.821 3.346 213 H LEU 26 HN LEU 26 -8.501 5.572 -0.010 214 HA LEU 26 HA LEU 26 -5.942 5.469 1.164 215 HB2 LEU 26 HB2 LEU 26 -7.259 3.707 -0.874 216 HB3 LEU 26 HB1 LEU 26 -5.677 3.358 -0.213 217 HG LEU 26 HG LEU 26 -8.223 3.514 1.432 218 HD11 LEU 26 HD11 LEU 26 -8.010 1.116 1.630 219 HD12 LEU 26 HD12 LEU 26 -6.613 1.139 0.551 220 HD13 LEU 26 HD13 LEU 26 -8.205 1.597 -0.055 221 HD21 LEU 26 HD21 LEU 26 -6.262 4.131 2.738 222 HD22 LEU 26 HD22 LEU 26 -5.402 2.719 2.143 223 HD23 LEU 26 HD23 LEU 26 -6.800 2.513 3.194 224 H LYS 27 HN LYS 27 -6.985 5.927 -2.184 225 HA LYS 27 HA LYS 27 -4.489 6.072 -3.418 226 HB2 LYS 27 HB2 LYS 27 -6.648 6.015 -4.562 227 HB3 LYS 27 HB1 LYS 27 -6.994 7.638 -4.016 228 HG2 LYS 27 HG2 LYS 27 -4.919 8.363 -5.221 229 HG3 LYS 27 HG1 LYS 27 -4.840 6.747 -5.931 230 HD2 LYS 27 HD2 LYS 27 -5.949 8.059 -7.531 231 HD3 LYS 27 HD1 LYS 27 -7.237 7.179 -6.709 232 HE2 LYS 27 HE2 LYS 27 -7.562 9.172 -5.233 233 HE3 LYS 27 HE1 LYS 27 -6.394 10.036 -6.214 234 HZ1 LYS 27 HZ1 LYS 27 -9.050 9.005 -7.021 235 HZ2 LYS 27 HZ2 LYS 27 -7.905 9.523 -8.157 236 HZ3 LYS 27 HZ3 LYS 27 -8.514 10.608 -7.023 237 H LYS 28 HN LYS 28 -6.428 8.587 -1.892 238 HA LYS 28 HA LYS 28 -4.678 10.741 -2.388 239 HB2 LYS 28 HB2 LYS 28 -6.650 10.410 -0.128 240 HB3 LYS 28 HB1 LYS 28 -5.897 11.924 -0.615 241 HG2 LYS 28 HG2 LYS 28 -7.004 11.838 -2.748 242 HG3 LYS 28 HG1 LYS 28 -7.676 10.252 -2.362 243 HD2 LYS 28 HD2 LYS 28 -8.817 11.317 -0.405 244 HD3 LYS 28 HD1 LYS 28 -8.260 12.873 -1.029 245 HE2 LYS 28 HE2 LYS 28 -9.448 12.455 -3.119 246 HE3 LYS 28 HE1 LYS 28 -10.020 10.915 -2.483 247 HZ1 LYS 28 HZ1 LYS 28 -11.694 12.609 -2.239 248 HZ2 LYS 28 HZ2 LYS 28 -10.645 13.601 -1.415 249 HZ3 LYS 28 HZ3 LYS 28 -11.166 12.151 -0.713 250 H LYS 29 HN LYS 29 -4.883 8.429 0.262 251 HA LYS 29 HA LYS 29 -2.864 9.552 1.821 252 HB2 LYS 29 HB2 LYS 29 -3.901 6.731 1.651 253 HB3 LYS 29 HB1 LYS 29 -2.639 7.220 2.772 254 HG2 LYS 29 HG2 LYS 29 -5.430 8.353 2.684 255 HG3 LYS 29 HG1 LYS 29 -4.837 7.160 3.847 256 HD2 LYS 29 HD2 LYS 29 -3.127 8.777 4.590 257 HD3 LYS 29 HD1 LYS 29 -3.783 9.937 3.437 258 HE2 LYS 29 HE2 LYS 29 -5.891 9.964 4.605 259 HE3 LYS 29 HE1 LYS 29 -5.293 8.752 5.743 260 HZ1 LYS 29 HZ1 LYS 29 -3.639 10.315 6.518 261 HZ2 LYS 29 HZ2 LYS 29 -5.154 11.052 6.598 262 HZ3 LYS 29 HZ3 LYS 29 -4.101 11.433 5.351 263 H LEU 30 HN LEU 30 -2.722 7.265 -0.766 264 HA LEU 30 HA LEU 30 0.034 6.771 -0.638 265 HB2 LEU 30 HB2 LEU 30 -1.765 6.858 -3.055 266 HB3 LEU 30 HB1 LEU 30 -0.172 6.128 -3.001 267 HG LEU 30 HG LEU 30 -2.592 5.209 -1.460 268 HD11 LEU 30 HD11 LEU 30 -1.184 4.017 -3.827 269 HD12 LEU 30 HD12 LEU 30 -2.786 4.746 -3.815 270 HD13 LEU 30 HD13 LEU 30 -2.490 3.256 -2.922 271 HD21 LEU 30 HD21 LEU 30 -0.581 4.800 -0.198 272 HD22 LEU 30 HD22 LEU 30 0.203 4.081 -1.606 273 HD23 LEU 30 HD23 LEU 30 -1.181 3.278 -0.859 274 H VAL 31 HN VAL 31 -1.866 9.207 -2.287 275 HA VAL 31 HA VAL 31 0.240 10.468 -3.649 276 HB VAL 31 HB VAL 31 -2.476 11.538 -2.786 277 HG11 VAL 31 HG11 VAL 31 -0.489 12.780 -4.690 278 HG12 VAL 31 HG12 VAL 31 -0.951 13.405 -3.102 279 HG13 VAL 31 HG13 VAL 31 -2.143 13.335 -4.401 280 HG21 VAL 31 HG21 VAL 31 -1.442 10.525 -5.428 281 HG22 VAL 31 HG22 VAL 31 -3.054 11.188 -5.125 282 HG23 VAL 31 HG23 VAL 31 -2.546 9.700 -4.323 283 H GLU 32 HN GLU 32 -1.227 11.249 -0.466 284 HA GLU 32 HA GLU 32 0.586 13.374 -0.039 285 HB2 GLU 32 HB2 GLU 32 -0.218 13.410 2.318 286 HB3 GLU 32 HB1 GLU 32 -1.499 13.458 1.112 287 HG2 GLU 32 HG2 GLU 32 -1.968 11.163 1.451 288 HG3 GLU 32 HG1 GLU 32 -0.655 11.002 2.617 289 H VAL 33 HN VAL 33 0.689 9.981 0.848 290 HA VAL 33 HA VAL 33 2.814 10.254 2.631 291 HB VAL 33 HB VAL 33 1.236 8.226 2.358 292 HG11 VAL 33 HG11 VAL 33 1.704 7.682 0.055 293 HG12 VAL 33 HG12 VAL 33 2.070 6.323 1.118 294 HG13 VAL 33 HG13 VAL 33 3.378 7.309 0.465 295 HG21 VAL 33 HG21 VAL 33 2.884 8.333 4.080 296 HG22 VAL 33 HG22 VAL 33 4.160 7.881 2.960 297 HG23 VAL 33 HG23 VAL 33 2.906 6.711 3.387 298 H LEU 34 HN LEU 34 2.790 10.063 -0.809 299 HA LEU 34 HA LEU 34 5.361 9.234 -1.376 300 HB2 LEU 34 HB2 LEU 34 3.651 11.230 -2.828 301 HB3 LEU 34 HB1 LEU 34 5.190 10.665 -3.442 302 HG LEU 34 HG LEU 34 2.780 8.921 -2.911 303 HD11 LEU 34 HD11 LEU 34 2.437 10.417 -4.805 304 HD12 LEU 34 HD12 LEU 34 2.633 8.748 -5.337 305 HD13 LEU 34 HD13 LEU 34 3.970 9.888 -5.504 306 HD21 LEU 34 HD21 LEU 34 4.086 7.208 -4.130 307 HD22 LEU 34 HD22 LEU 34 4.836 7.676 -2.611 308 HD23 LEU 34 HD23 LEU 34 5.469 8.300 -4.134 309 H GLU 35 HN GLU 35 4.497 12.311 0.051 310 HA GLU 35 HA GLU 35 6.891 13.680 -0.673 311 HB2 GLU 35 HB2 GLU 35 6.388 15.261 1.117 312 HB3 GLU 35 HB1 GLU 35 4.923 14.888 0.224 313 HG2 GLU 35 HG2 GLU 35 4.138 13.467 1.985 314 HG3 GLU 35 HG1 GLU 35 5.672 13.607 2.838 315 H SER 36 HN SER 36 6.168 11.291 1.724 316 HA SER 36 HA SER 36 8.917 10.889 2.333 317 HB2 SER 36 HB2 SER 36 8.223 12.801 3.909 318 HB3 SER 36 HB1 SER 36 7.079 11.675 4.630 319 HG SER 36 HG SER 36 9.900 11.588 4.623 320 HA PRO 37 HA PRO 37 5.922 7.365 2.183 321 HB2 PRO 37 HB2 PRO 37 7.573 5.655 0.843 322 HB3 PRO 37 HB1 PRO 37 6.518 6.829 0.043 323 HG2 PRO 37 HG2 PRO 37 9.428 7.050 0.704 324 HG3 PRO 37 HG1 PRO 37 8.595 7.454 -0.810 325 HD2 PRO 37 HD2 PRO 37 9.260 9.364 0.936 326 HD3 PRO 37 HD1 PRO 37 7.715 9.426 0.054 327 H ARG 38 HN ARG 38 9.196 7.590 3.209 328 HA ARG 38 HA ARG 38 8.958 5.140 4.671 329 HB2 ARG 38 HB2 ARG 38 11.415 5.654 5.344 330 HB3 ARG 38 HB1 ARG 38 11.055 5.116 3.718 331 HG2 ARG 38 HG2 ARG 38 12.637 6.840 3.479 332 HG3 ARG 38 HG1 ARG 38 11.097 7.555 3.046 333 HD2 ARG 38 HD2 ARG 38 10.943 8.582 5.257 334 HD3 ARG 38 HD1 ARG 38 12.481 7.838 5.701 335 HE ARG 38 HE ARG 38 12.363 9.592 3.389 336 HH11 ARG 38 HH11 ARG 38 13.523 9.016 6.680 337 HH12 ARG 38 HH12 ARG 38 14.672 10.260 6.677 338 HH21 ARG 38 HH21 ARG 38 13.897 11.345 3.359 339 HH22 ARG 38 HH22 ARG 38 14.908 11.648 4.687 340 H ILE 39 HN ILE 39 7.192 6.248 5.732 341 HA ILE 39 HA ILE 39 7.986 7.803 8.057 342 HB ILE 39 HB ILE 39 5.240 6.942 7.082 343 HG12 ILE 39 HG12 ILE 39 6.528 9.658 7.294 344 HG13 ILE 39 HG11 ILE 39 6.412 8.714 5.818 345 HG21 ILE 39 HG21 ILE 39 5.222 7.012 9.533 346 HG22 ILE 39 HG22 ILE 39 4.287 8.348 8.861 347 HG23 ILE 39 HG23 ILE 39 5.900 8.640 9.503 348 HD11 ILE 39 HD11 ILE 39 4.770 10.441 5.855 349 HD12 ILE 39 HD12 ILE 39 4.127 9.865 7.401 350 HD13 ILE 39 HD13 ILE 39 3.967 8.873 5.944 351 H GLU 40 HN GLU 40 8.665 6.842 9.771 352 HA GLU 40 HA GLU 40 8.756 4.128 10.237 353 HB2 GLU 40 HB2 GLU 40 9.408 4.726 12.536 354 HB3 GLU 40 HB1 GLU 40 10.256 5.657 11.311 355 HG2 GLU 40 HG2 GLU 40 8.856 7.568 11.734 356 HG3 GLU 40 HG1 GLU 40 7.879 6.642 12.871 357 H ALA 41 HN ALA 41 6.269 6.388 11.094 358 HA ALA 41 HA ALA 41 4.930 4.748 13.008 359 HB1 ALA 41 HB1 ALA 41 3.865 7.095 11.444 360 HB2 ALA 41 HB2 ALA 41 4.711 7.188 12.988 361 HB3 ALA 41 HB3 ALA 41 3.140 6.390 12.890 362 H ASN 42 HN ASN 42 5.000 4.775 9.591 363 HA ASN 42 HA ASN 42 2.488 3.258 9.464 364 HB2 ASN 42 HB2 ASN 42 4.114 4.524 7.240 365 HB3 ASN 42 HB1 ASN 42 2.694 3.524 6.977 366 HD21 ASN 42 HD21 ASN 42 3.191 6.280 6.225 367 HD22 ASN 42 HD22 ASN 42 1.949 7.212 6.976 368 H LYS 43 HN LYS 43 5.870 2.907 9.504 369 HA LYS 43 HA LYS 43 6.326 0.903 7.682 370 HB2 LYS 43 HB2 LYS 43 7.867 2.478 9.107 371 HB3 LYS 43 HB1 LYS 43 7.869 1.112 10.215 372 HG2 LYS 43 HG2 LYS 43 8.548 -0.307 8.272 373 HG3 LYS 43 HG1 LYS 43 8.727 1.222 7.391 374 HD2 LYS 43 HD2 LYS 43 10.370 1.977 9.110 375 HD3 LYS 43 HD1 LYS 43 10.260 0.390 9.872 376 HE2 LYS 43 HE2 LYS 43 12.211 0.304 8.534 377 HE3 LYS 43 HE1 LYS 43 10.985 -0.575 7.626 378 HZ1 LYS 43 HZ1 LYS 43 11.976 2.174 7.126 379 HZ2 LYS 43 HZ2 LYS 43 10.624 1.609 6.370 380 HZ3 LYS 43 HZ3 LYS 43 12.103 0.863 6.088 381 H LEU 44 HN LEU 44 6.386 -1.248 7.837 382 HA LEU 44 HA LEU 44 5.309 -2.597 10.179 383 HB2 LEU 44 HB2 LEU 44 6.070 -3.519 7.407 384 HB3 LEU 44 HB1 LEU 44 5.558 -4.613 8.672 385 HG LEU 44 HG LEU 44 3.827 -2.417 7.521 386 HD11 LEU 44 HD11 LEU 44 4.355 -4.129 5.868 387 HD12 LEU 44 HD12 LEU 44 2.671 -4.231 6.412 388 HD13 LEU 44 HD13 LEU 44 3.874 -5.375 7.026 389 HD21 LEU 44 HD21 LEU 44 3.242 -4.758 9.308 390 HD22 LEU 44 HD22 LEU 44 2.055 -3.676 8.589 391 HD23 LEU 44 HD23 LEU 44 3.214 -3.051 9.778 392 H ARG 45 HN ARG 45 6.734 -3.495 11.539 393 HA ARG 45 HA ARG 45 9.544 -3.124 10.898 394 HB2 ARG 45 HB2 ARG 45 8.412 -2.480 13.158 395 HB3 ARG 45 HB1 ARG 45 8.541 -4.193 13.525 396 HG2 ARG 45 HG2 ARG 45 10.421 -3.066 14.486 397 HG3 ARG 45 HG1 ARG 45 10.996 -4.036 13.126 398 HD2 ARG 45 HD2 ARG 45 10.978 -2.024 11.696 399 HD3 ARG 45 HD1 ARG 45 10.407 -1.074 13.065 400 HE ARG 45 HE ARG 45 12.872 -2.487 13.480 401 HH11 ARG 45 HH11 ARG 45 11.389 0.571 12.439 402 HH12 ARG 45 HH12 ARG 45 12.787 1.497 12.643 403 HH21 ARG 45 HH21 ARG 45 14.813 -1.189 13.776 404 HH22 ARG 45 HH22 ARG 45 14.783 0.472 13.430 405 H GLY 46 HN GLY 46 10.880 -4.760 10.430 406 HA2 GLY 46 HA2 GLY 46 11.589 -7.062 10.590 407 HA3 GLY 46 HA1 GLY 46 9.893 -7.527 10.751 408 H MET 47 HN MET 47 8.969 -5.750 8.825 409 HA MET 47 HA MET 47 9.590 -7.180 6.387 410 HB2 MET 47 HB2 MET 47 7.663 -4.920 6.982 411 HB3 MET 47 HB1 MET 47 7.774 -5.748 5.440 412 HG2 MET 47 HG2 MET 47 7.030 -7.066 8.043 413 HG3 MET 47 HG1 MET 47 5.872 -6.469 6.861 414 HE1 MET 47 HE1 MET 47 5.476 -7.521 4.489 415 HE2 MET 47 HE2 MET 47 6.437 -8.823 3.808 416 HE3 MET 47 HE3 MET 47 7.163 -7.240 4.063 417 HA PRO 48 HA PRO 48 13.084 -4.618 5.380 418 HB2 PRO 48 HB2 PRO 48 12.073 -4.337 2.662 419 HB3 PRO 48 HB1 PRO 48 13.524 -5.151 3.235 420 HG2 PRO 48 HG2 PRO 48 10.978 -6.295 2.523 421 HG3 PRO 48 HG1 PRO 48 12.483 -7.120 2.956 422 HD2 PRO 48 HD2 PRO 48 10.181 -7.114 4.458 423 HD3 PRO 48 HD1 PRO 48 11.805 -7.433 5.113 424 H ASP 49 HN ASP 49 10.449 -3.460 3.349 425 HA ASP 49 HA ASP 49 10.389 -0.978 4.815 426 HB2 ASP 49 HB2 ASP 49 11.931 -1.151 2.432 427 HB3 ASP 49 HB1 ASP 49 10.477 -0.245 2.042 428 H CYS 50 HN CYS 50 8.484 -2.633 4.991 429 HA CYS 50 HA CYS 50 6.502 -1.907 2.969 430 HB2 CYS 50 HB2 CYS 50 6.393 -4.067 5.082 431 HB3 CYS 50 HB1 CYS 50 5.220 -3.803 3.791 432 HG CYS 50 HG CYS 50 7.358 -4.181 1.835 433 H TYR 51 HN TYR 51 4.617 -0.919 3.607 434 HA TYR 51 HA TYR 51 4.489 0.073 6.373 435 HB2 TYR 51 HB2 TYR 51 4.196 1.761 3.858 436 HB3 TYR 51 HB1 TYR 51 3.950 2.326 5.502 437 HD1 TYR 51 HD2 TYR 51 6.549 0.861 3.285 438 HD2 TYR 51 HD1 TYR 51 5.750 3.294 6.650 439 HE1 TYR 51 HE2 TYR 51 8.920 1.412 3.435 440 HE2 TYR 51 HE1 TYR 51 8.134 3.854 6.802 441 HH TYR 51 HH TYR 51 10.405 2.842 4.345 442 H LYS 52 HN LYS 52 2.365 0.662 6.987 443 HA LYS 52 HA LYS 52 0.300 -0.201 5.107 444 HB2 LYS 52 HB2 LYS 52 -1.005 -1.268 6.816 445 HB3 LYS 52 HB1 LYS 52 0.611 -1.929 6.916 446 HG2 LYS 52 HG2 LYS 52 -0.424 0.231 8.766 447 HG3 LYS 52 HG1 LYS 52 -0.563 -1.486 9.110 448 HD2 LYS 52 HD2 LYS 52 1.879 -1.680 9.108 449 HD3 LYS 52 HD1 LYS 52 2.025 0.029 8.707 450 HE2 LYS 52 HE2 LYS 52 1.014 0.662 10.774 451 HE3 LYS 52 HE1 LYS 52 0.667 -1.012 11.193 452 HZ1 LYS 52 HZ1 LYS 52 2.610 -0.094 12.363 453 HZ2 LYS 52 HZ2 LYS 52 3.454 0.087 10.911 454 HZ3 LYS 52 HZ3 LYS 52 3.009 -1.428 11.453 455 H ILE 53 HN ILE 53 -1.433 1.040 4.963 456 HA ILE 53 HA ILE 53 -1.694 3.287 6.831 457 HB ILE 53 HB ILE 53 -2.308 3.309 3.843 458 HG12 ILE 53 HG12 ILE 53 -0.276 4.876 5.459 459 HG13 ILE 53 HG11 ILE 53 0.091 3.558 4.355 460 HG21 ILE 53 HG21 ILE 53 -2.964 5.659 4.151 461 HG22 ILE 53 HG22 ILE 53 -2.727 5.496 5.890 462 HG23 ILE 53 HG23 ILE 53 -3.995 4.573 5.086 463 HD11 ILE 53 HD11 ILE 53 0.592 5.682 3.326 464 HD12 ILE 53 HD12 ILE 53 -1.038 6.258 3.651 465 HD13 ILE 53 HD13 ILE 53 -0.785 4.950 2.495 466 H LYS 54 HN LYS 54 -3.639 3.491 7.747 467 HA LYS 54 HA LYS 54 -5.707 1.710 6.770 468 HB2 LYS 54 HB2 LYS 54 -6.576 1.737 9.198 469 HB3 LYS 54 HB1 LYS 54 -5.149 0.788 8.840 470 HG2 LYS 54 HG2 LYS 54 -4.790 1.876 10.907 471 HG3 LYS 54 HG1 LYS 54 -3.764 2.658 9.713 472 HD2 LYS 54 HD2 LYS 54 -5.528 4.436 9.511 473 HD3 LYS 54 HD1 LYS 54 -6.342 3.684 10.888 474 HE2 LYS 54 HE2 LYS 54 -4.299 3.934 12.199 475 HE3 LYS 54 HE1 LYS 54 -3.551 4.716 10.804 476 HZ1 LYS 54 HZ1 LYS 54 -5.888 5.756 12.323 477 HZ2 LYS 54 HZ2 LYS 54 -5.184 6.505 10.985 478 HZ3 LYS 54 HZ3 LYS 54 -4.312 6.329 12.409 479 H LEU 55 HN LEU 55 -7.854 2.359 6.795 480 HA LEU 55 HA LEU 55 -8.119 5.210 6.672 481 HB2 LEU 55 HB2 LEU 55 -9.773 2.999 5.623 482 HB3 LEU 55 HB1 LEU 55 -10.481 4.574 5.862 483 HG LEU 55 HG LEU 55 -8.244 3.830 3.971 484 HD11 LEU 55 HD11 LEU 55 -9.796 4.662 2.313 485 HD12 LEU 55 HD12 LEU 55 -10.993 4.934 3.580 486 HD13 LEU 55 HD13 LEU 55 -10.425 3.299 3.232 487 HD21 LEU 55 HD21 LEU 55 -8.247 6.202 3.301 488 HD22 LEU 55 HD22 LEU 55 -7.640 5.981 4.928 489 HD23 LEU 55 HD23 LEU 55 -9.283 6.585 4.677 490 H ARG 56 HN ARG 56 -9.212 6.396 7.788 491 HA ARG 56 HA ARG 56 -10.116 5.911 10.371 492 HB2 ARG 56 HB2 ARG 56 -11.087 8.203 10.127 493 HB3 ARG 56 HB1 ARG 56 -9.406 8.084 9.618 494 HG2 ARG 56 HG2 ARG 56 -10.132 7.941 7.269 495 HG3 ARG 56 HG1 ARG 56 -11.801 8.099 7.789 496 HD2 ARG 56 HD2 ARG 56 -11.353 10.327 8.624 497 HD3 ARG 56 HD1 ARG 56 -9.640 10.147 8.225 498 HE ARG 56 HE ARG 56 -11.256 9.675 5.951 499 HH11 ARG 56 HH11 ARG 56 -10.082 12.361 7.912 500 HH12 ARG 56 HH12 ARG 56 -10.051 13.470 6.636 501 HH21 ARG 56 HH21 ARG 56 -11.244 11.137 4.232 502 HH22 ARG 56 HH22 ARG 56 -10.797 12.767 4.452 503 H SER 57 HN SER 57 -11.787 5.807 7.275 504 HA SER 57 HA SER 57 -14.389 6.092 8.252 505 HB2 SER 57 HB2 SER 57 -13.539 4.925 5.611 506 HB3 SER 57 HB1 SER 57 -15.038 5.778 5.995 507 HG SER 57 HG SER 57 -14.073 7.566 5.650 508 H SER 58 HN SER 58 -13.541 3.196 6.300 509 HA SER 58 HA SER 58 -15.254 1.699 8.074 510 HB2 SER 58 HB2 SER 58 -15.123 0.188 5.945 511 HB3 SER 58 HB1 SER 58 -16.129 1.644 5.972 512 HG SER 58 HG SER 58 -14.906 1.712 4.144 513 H GLY 59 HN GLY 59 -12.042 2.135 7.871 514 HA2 GLY 59 HA2 GLY 59 -10.349 0.963 8.924 515 HA3 GLY 59 HA1 GLY 59 -11.500 -0.308 9.280 516 H TYR 60 HN TYR 60 -10.428 0.989 6.164 517 HA TYR 60 HA TYR 60 -9.563 -1.699 5.505 518 HB2 TYR 60 HB2 TYR 60 -10.227 0.688 3.794 519 HB3 TYR 60 HB1 TYR 60 -9.298 -0.660 3.149 520 HD1 TYR 60 HD1 TYR 60 -12.569 0.240 4.664 521 HD2 TYR 60 HD2 TYR 60 -10.357 -2.648 2.477 522 HE1 TYR 60 HE1 TYR 60 -14.646 -0.994 4.198 523 HE2 TYR 60 HE2 TYR 60 -12.424 -3.885 2.007 524 HH TYR 60 HH TYR 60 -15.490 -2.571 2.533 525 H ARG 61 HN ARG 61 -7.515 -2.097 4.717 526 HA ARG 61 HA ARG 61 -5.528 -0.083 5.502 527 HB2 ARG 61 HB2 ARG 61 -5.347 -3.080 5.862 528 HB3 ARG 61 HB1 ARG 61 -4.016 -1.974 6.078 529 HG2 ARG 61 HG2 ARG 61 -4.779 -2.584 8.231 530 HG3 ARG 61 HG1 ARG 61 -5.319 -0.933 7.956 531 HD2 ARG 61 HD2 ARG 61 -7.548 -1.584 7.701 532 HD3 ARG 61 HD1 ARG 61 -7.114 -3.263 7.375 533 HE ARG 61 HE ARG 61 -6.304 -2.401 9.952 534 HH11 ARG 61 HH11 ARG 61 -9.301 -3.254 8.273 535 HH12 ARG 61 HH12 ARG 61 -9.865 -4.307 9.483 536 HH21 ARG 61 HH21 ARG 61 -7.143 -3.779 11.690 537 HH22 ARG 61 HH22 ARG 61 -8.693 -4.488 11.514 538 H LEU 62 HN LEU 62 -3.735 -0.023 4.260 539 HA LEU 62 HA LEU 62 -3.673 -1.700 1.870 540 HB2 LEU 62 HB2 LEU 62 -4.564 0.612 1.458 541 HB3 LEU 62 HB1 LEU 62 -3.066 1.262 2.063 542 HG LEU 62 HG LEU 62 -3.143 -0.507 -0.383 543 HD11 LEU 62 HD11 LEU 62 -4.652 1.381 -0.693 544 HD12 LEU 62 HD12 LEU 62 -3.212 1.526 -1.699 545 HD13 LEU 62 HD13 LEU 62 -3.368 2.497 -0.228 546 HD21 LEU 62 HD21 LEU 62 -1.076 0.698 -0.904 547 HD22 LEU 62 HD22 LEU 62 -0.961 -0.135 0.653 548 HD23 LEU 62 HD23 LEU 62 -1.252 1.607 0.598 549 H VAL 63 HN VAL 63 -1.681 -2.612 1.544 550 HA VAL 63 HA VAL 63 0.487 -1.691 3.295 551 HB VAL 63 HB VAL 63 0.047 -4.567 2.412 552 HG11 VAL 63 HG11 VAL 63 1.934 -3.415 4.472 553 HG12 VAL 63 HG12 VAL 63 2.389 -4.006 2.874 554 HG13 VAL 63 HG13 VAL 63 1.752 -5.119 4.082 555 HG21 VAL 63 HG21 VAL 63 -1.735 -3.912 3.953 556 HG22 VAL 63 HG22 VAL 63 -0.540 -3.325 5.106 557 HG23 VAL 63 HG23 VAL 63 -0.628 -5.047 4.728 558 H TYR 64 HN TYR 64 2.214 -1.063 2.243 559 HA TYR 64 HA TYR 64 2.688 -2.005 -0.492 560 HB2 TYR 64 HB2 TYR 64 3.272 0.295 -1.192 561 HB3 TYR 64 HB1 TYR 64 1.585 0.143 -0.737 562 HD1 TYR 64 HD2 TYR 64 4.887 1.353 0.513 563 HD2 TYR 64 HD1 TYR 64 0.673 1.560 0.863 564 HE1 TYR 64 HE2 TYR 64 5.119 3.266 2.020 565 HE2 TYR 64 HE1 TYR 64 0.877 3.472 2.359 566 HH TYR 64 HH TYR 64 3.851 5.114 2.840 567 H GLN 65 HN GLN 65 4.874 -1.683 -1.212 568 HA GLN 65 HA GLN 65 6.734 -1.419 1.032 569 HB2 GLN 65 HB2 GLN 65 8.349 -2.711 -0.255 570 HB3 GLN 65 HB1 GLN 65 6.896 -3.648 0.033 571 HG2 GLN 65 HG2 GLN 65 6.170 -3.375 -2.225 572 HG3 GLN 65 HG1 GLN 65 7.421 -2.177 -2.541 573 HE21 GLN 65 HE21 GLN 65 9.542 -3.665 -1.198 574 HE22 GLN 65 HE22 GLN 65 9.912 -4.988 -2.215 575 H VAL 66 HN VAL 66 8.307 0.041 0.881 576 HA VAL 66 HA VAL 66 8.185 1.828 -1.422 577 HB VAL 66 HB VAL 66 9.674 2.138 1.216 578 HG11 VAL 66 HG11 VAL 66 10.819 3.315 -0.606 579 HG12 VAL 66 HG12 VAL 66 10.076 4.457 0.513 580 HG13 VAL 66 HG13 VAL 66 9.312 4.122 -1.040 581 HG21 VAL 66 HG21 VAL 66 7.250 2.271 1.447 582 HG22 VAL 66 HG22 VAL 66 7.190 3.521 0.204 583 HG23 VAL 66 HG23 VAL 66 8.013 3.830 1.736 584 H ILE 67 HN ILE 67 9.448 1.260 -3.042 585 HA ILE 67 HA ILE 67 11.839 -0.264 -2.436 586 HB ILE 67 HB ILE 67 10.696 0.417 -5.165 587 HG12 ILE 67 HG12 ILE 67 10.285 -2.126 -3.562 588 HG13 ILE 67 HG11 ILE 67 9.063 -0.882 -3.797 589 HG21 ILE 67 HG21 ILE 67 12.636 -1.719 -4.257 590 HG22 ILE 67 HG22 ILE 67 13.057 -0.236 -5.103 591 HG23 ILE 67 HG23 ILE 67 12.075 -1.462 -5.910 592 HD11 ILE 67 HD11 ILE 67 9.102 -1.309 -6.205 593 HD12 ILE 67 HD12 ILE 67 8.699 -2.760 -5.287 594 HD13 ILE 67 HD13 ILE 67 10.318 -2.562 -5.959 595 H ASP 68 HN ASP 68 13.219 1.218 -1.715 596 HA ASP 68 HA ASP 68 13.532 3.854 -2.719 597 HB2 ASP 68 HB2 ASP 68 14.221 3.135 -0.447 598 HB3 ASP 68 HB1 ASP 68 15.492 2.148 -1.158 599 H GLU 69 HN GLU 69 14.872 0.780 -3.426 600 HA GLU 69 HA GLU 69 17.130 1.331 -4.940 601 HB2 GLU 69 HB2 GLU 69 15.105 -0.854 -5.410 602 HB3 GLU 69 HB1 GLU 69 16.765 -0.845 -5.970 603 HG2 GLU 69 HG2 GLU 69 17.570 -0.937 -3.697 604 HG3 GLU 69 HG1 GLU 69 15.922 -0.829 -3.087 605 H LYS 70 HN LYS 70 13.729 1.274 -5.906 606 HA LYS 70 HA LYS 70 14.490 1.990 -8.663 607 HB2 LYS 70 HB2 LYS 70 11.905 0.912 -7.588 608 HB3 LYS 70 HB1 LYS 70 12.262 1.162 -9.301 609 HG2 LYS 70 HG2 LYS 70 13.945 -0.615 -9.150 610 HG3 LYS 70 HG1 LYS 70 13.594 -0.803 -7.429 611 HD2 LYS 70 HD2 LYS 70 11.160 -1.204 -8.175 612 HD3 LYS 70 HD1 LYS 70 11.833 -1.431 -9.786 613 HE2 LYS 70 HE2 LYS 70 12.572 -3.004 -7.317 614 HE3 LYS 70 HE1 LYS 70 11.528 -3.565 -8.609 615 HZ1 LYS 70 HZ1 LYS 70 13.369 -3.502 -10.119 616 HZ2 LYS 70 HZ2 LYS 70 13.799 -4.406 -8.771 617 HZ3 LYS 70 HZ3 LYS 70 14.396 -2.857 -8.950 618 H VAL 71 HN VAL 71 13.385 3.337 -5.816 619 HA VAL 71 HA VAL 71 12.460 5.286 -5.163 620 HB VAL 71 HB VAL 71 12.770 6.234 -8.064 621 HG11 VAL 71 HG11 VAL 71 12.702 7.847 -5.504 622 HG12 VAL 71 HG12 VAL 71 11.425 7.771 -6.715 623 HG13 VAL 71 HG13 VAL 71 12.979 8.494 -7.122 624 HG21 VAL 71 HG21 VAL 71 14.906 5.367 -7.262 625 HG22 VAL 71 HG22 VAL 71 14.792 6.378 -5.823 626 HG23 VAL 71 HG23 VAL 71 14.971 7.124 -7.409 627 H VAL 72 HN VAL 72 10.787 3.158 -5.881 628 HA VAL 72 HA VAL 72 8.359 4.630 -6.517 629 HB VAL 72 HB VAL 72 9.010 3.445 -8.612 630 HG11 VAL 72 HG11 VAL 72 8.713 0.920 -7.031 631 HG12 VAL 72 HG12 VAL 72 10.201 1.621 -7.666 632 HG13 VAL 72 HG13 VAL 72 8.957 1.043 -8.782 633 HG21 VAL 72 HG21 VAL 72 6.548 2.273 -7.328 634 HG22 VAL 72 HG22 VAL 72 6.894 2.286 -9.056 635 HG23 VAL 72 HG23 VAL 72 6.629 3.803 -8.197 636 H VAL 73 HN VAL 73 6.630 4.065 -5.395 637 HA VAL 73 HA VAL 73 6.956 2.177 -3.220 638 HB VAL 73 HB VAL 73 4.893 4.318 -3.802 639 HG11 VAL 73 HG11 VAL 73 4.118 3.958 -1.506 640 HG12 VAL 73 HG12 VAL 73 5.261 2.625 -1.339 641 HG13 VAL 73 HG13 VAL 73 3.929 2.507 -2.490 642 HG21 VAL 73 HG21 VAL 73 7.051 5.267 -3.265 643 HG22 VAL 73 HG22 VAL 73 7.159 4.273 -1.816 644 HG23 VAL 73 HG23 VAL 73 5.929 5.534 -1.931 645 H PHE 74 HN PHE 74 6.093 0.235 -3.490 646 HA PHE 74 HA PHE 74 4.188 -0.182 -5.690 647 HB2 PHE 74 HB2 PHE 74 6.358 -1.273 -5.979 648 HB3 PHE 74 HB1 PHE 74 6.189 -2.058 -4.423 649 HD1 PHE 74 HD1 PHE 74 4.733 -1.872 -7.817 650 HD2 PHE 74 HD2 PHE 74 5.120 -4.132 -4.236 651 HE1 PHE 74 HE1 PHE 74 3.704 -3.802 -8.927 652 HE2 PHE 74 HE2 PHE 74 4.090 -6.073 -5.344 653 HZ PHE 74 HZ PHE 74 3.383 -5.903 -7.697 654 H VAL 75 HN VAL 75 2.179 -0.532 -5.025 655 HA VAL 75 HA VAL 75 1.576 -1.341 -2.335 656 HB VAL 75 HB VAL 75 -0.251 -1.055 -4.749 657 HG11 VAL 75 HG11 VAL 75 -1.265 -2.518 -3.106 658 HG12 VAL 75 HG12 VAL 75 -2.101 -0.966 -3.102 659 HG13 VAL 75 HG13 VAL 75 -0.948 -1.353 -1.827 660 HG21 VAL 75 HG21 VAL 75 0.327 0.852 -2.483 661 HG22 VAL 75 HG22 VAL 75 -0.923 1.079 -3.706 662 HG23 VAL 75 HG23 VAL 75 0.777 1.055 -4.175 663 H ILE 76 HN ILE 76 1.526 -3.355 -1.657 664 HA ILE 76 HA ILE 76 1.716 -5.506 -3.618 665 HB ILE 76 HB ILE 76 1.904 -5.715 -0.593 666 HG12 ILE 76 HG12 ILE 76 4.192 -5.512 -2.580 667 HG13 ILE 76 HG11 ILE 76 3.685 -4.215 -1.506 668 HG21 ILE 76 HG21 ILE 76 3.063 -7.849 -1.099 669 HG22 ILE 76 HG22 ILE 76 2.749 -7.589 -2.812 670 HG23 ILE 76 HG23 ILE 76 1.403 -7.819 -1.696 671 HD11 ILE 76 HD11 ILE 76 5.662 -5.366 -0.636 672 HD12 ILE 76 HD12 ILE 76 4.790 -6.894 -0.638 673 HD13 ILE 76 HD13 ILE 76 4.289 -5.604 0.440 674 H SER 77 HN SER 77 -0.289 -4.379 -0.911 675 HA SER 77 HA SER 77 -2.473 -5.997 -1.904 676 HB2 SER 77 HB2 SER 77 -1.389 -6.239 0.897 677 HB3 SER 77 HB1 SER 77 -2.876 -6.988 0.301 678 HG SER 77 HG SER 77 -0.940 -7.582 -1.375 679 H VAL 78 HN VAL 78 -4.499 -5.333 -1.095 680 HA VAL 78 HA VAL 78 -4.609 -3.113 0.689 681 HB VAL 78 HB VAL 78 -4.317 -2.058 -1.540 682 HG11 VAL 78 HG11 VAL 78 -6.825 -3.502 -2.325 683 HG12 VAL 78 HG12 VAL 78 -5.208 -3.756 -2.977 684 HG13 VAL 78 HG13 VAL 78 -6.043 -2.228 -3.262 685 HG21 VAL 78 HG21 VAL 78 -5.622 -0.896 0.114 686 HG22 VAL 78 HG22 VAL 78 -7.091 -1.718 -0.423 687 HG23 VAL 78 HG23 VAL 78 -6.261 -0.586 -1.497 688 H GLY 79 HN GLY 79 -6.512 -3.158 1.826 689 HA2 GLY 79 HA2 GLY 79 -8.953 -3.985 1.249 690 HA3 GLY 79 HA1 GLY 79 -8.132 -5.526 1.444 691 H LYS 80 HN LYS 80 -8.102 -6.340 3.432 692 HA LYS 80 HA LYS 80 -8.395 -4.493 5.669 693 HB2 LYS 80 HB2 LYS 80 -9.915 -7.066 5.180 694 HB3 LYS 80 HB1 LYS 80 -9.946 -6.174 6.702 695 HG2 LYS 80 HG2 LYS 80 -10.935 -4.264 5.636 696 HG3 LYS 80 HG1 LYS 80 -10.750 -4.998 4.051 697 HD2 LYS 80 HD2 LYS 80 -13.040 -5.133 4.761 698 HD3 LYS 80 HD1 LYS 80 -12.338 -6.747 4.715 699 HE2 LYS 80 HE2 LYS 80 -12.097 -6.750 7.110 700 HE3 LYS 80 HE1 LYS 80 -12.639 -5.075 7.207 701 HZ1 LYS 80 HZ1 LYS 80 -14.413 -6.633 7.749 702 HZ2 LYS 80 HZ2 LYS 80 -14.296 -7.339 6.219 703 HZ3 LYS 80 HZ3 LYS 80 -14.778 -5.734 6.381 704 H ALA 81 HN ALA 81 -7.625 -5.521 7.767 705 HA ALA 81 HA ALA 81 -5.378 -7.305 7.095 706 HB1 ALA 81 HB1 ALA 81 -3.831 -5.881 8.326 707 HB2 ALA 81 HB2 ALA 81 -5.139 -4.746 8.639 708 HB3 ALA 81 HB3 ALA 81 -4.592 -5.022 6.989 709 H GLU 82 HN GLU 82 -7.988 -7.179 8.998 710 HA GLU 82 HA GLU 82 -6.679 -7.750 11.486 711 HB2 GLU 82 HB2 GLU 82 -8.974 -8.183 12.403 712 HB3 GLU 82 HB1 GLU 82 -8.738 -6.570 11.764 713 HG2 GLU 82 HG2 GLU 82 -10.079 -8.788 10.253 714 HG3 GLU 82 HG1 GLU 82 -10.954 -7.654 11.283 715 H ALA 83 HN ALA 83 -7.549 -9.561 8.791 716 HA ALA 83 HA ALA 83 -7.365 -12.036 10.342 717 HB1 ALA 83 HB1 ALA 83 -8.044 -11.606 7.427 718 HB2 ALA 83 HB2 ALA 83 -9.200 -11.915 8.721 719 HB3 ALA 83 HB3 ALA 83 -8.040 -13.160 8.256 720 H SER 84 HN SER 84 -5.442 -9.859 8.940 721 HA SER 84 HA SER 84 -3.328 -9.685 8.359 722 HB2 SER 84 HB2 SER 84 -3.064 -12.442 9.563 723 HB3 SER 84 HB1 SER 84 -1.707 -11.387 9.157 724 HG SER 84 HG SER 84 -3.632 -11.163 11.159 725 H GLU 85 HN GLU 85 -5.268 -11.152 6.518 726 HA GLU 85 HA GLU 85 -3.836 -13.017 4.988 727 HB2 GLU 85 HB2 GLU 85 -6.251 -11.373 4.272 728 HB3 GLU 85 HB1 GLU 85 -5.667 -12.769 3.384 729 HG2 GLU 85 HG2 GLU 85 -6.611 -12.793 6.240 730 HG3 GLU 85 HG1 GLU 85 -7.532 -13.341 4.840 731 H VAL 86 HN VAL 86 -4.038 -9.569 4.843 732 HA VAL 86 HA VAL 86 -2.869 -9.342 2.241 733 HB VAL 86 HB VAL 86 -2.462 -6.924 2.811 734 HG11 VAL 86 HG11 VAL 86 -5.242 -7.950 3.376 735 HG12 VAL 86 HG12 VAL 86 -4.558 -7.619 1.786 736 HG13 VAL 86 HG13 VAL 86 -4.830 -6.296 2.920 737 HG21 VAL 86 HG21 VAL 86 -3.763 -7.673 5.433 738 HG22 VAL 86 HG22 VAL 86 -3.398 -6.032 4.899 739 HG23 VAL 86 HG23 VAL 86 -2.087 -7.171 5.215 740 H TYR 87 HN TYR 87 -1.572 -9.976 5.340 741 HA TYR 87 HA TYR 87 1.067 -9.023 4.665 742 HB2 TYR 87 HB2 TYR 87 0.189 -10.750 6.999 743 HB3 TYR 87 HB1 TYR 87 1.778 -10.031 6.796 744 HD1 TYR 87 HD2 TYR 87 -1.756 -9.279 7.337 745 HD2 TYR 87 HD1 TYR 87 2.193 -7.765 7.448 746 HE1 TYR 87 HE2 TYR 87 -2.575 -7.301 8.511 747 HE2 TYR 87 HE1 TYR 87 1.394 -5.751 8.619 748 HH TYR 87 HH TYR 87 -0.558 -4.527 9.013 749 H SER 88 HN SER 88 -0.816 -11.889 4.404 750 HA SER 88 HA SER 88 1.224 -13.768 4.071 751 HB2 SER 88 HB2 SER 88 -1.545 -13.727 2.834 752 HB3 SER 88 HB1 SER 88 -0.523 -15.150 3.065 753 HG SER 88 HG SER 88 -0.573 -14.629 5.333 754 H GLU 89 HN GLU 89 -0.316 -11.508 1.832 755 HA GLU 89 HA GLU 89 1.095 -12.395 -0.477 756 HB2 GLU 89 HB2 GLU 89 -0.396 -9.891 0.216 757 HB3 GLU 89 HB1 GLU 89 0.528 -10.012 -1.268 758 HG2 GLU 89 HG2 GLU 89 -1.698 -11.863 -0.483 759 HG3 GLU 89 HG1 GLU 89 -1.866 -10.471 -1.559 760 H ALA 90 HN ALA 90 1.491 -9.723 1.769 761 HA ALA 90 HA ALA 90 3.699 -8.517 0.636 762 HB1 ALA 90 HB1 ALA 90 2.301 -7.533 2.402 763 HB2 ALA 90 HB2 ALA 90 4.026 -7.411 2.744 764 HB3 ALA 90 HB3 ALA 90 3.048 -8.625 3.571 765 H VAL 91 HN VAL 91 3.721 -10.994 3.196 766 HA VAL 91 HA VAL 91 6.536 -10.924 3.438 767 HB VAL 91 HB VAL 91 4.969 -11.701 5.230 768 HG11 VAL 91 HG11 VAL 91 3.488 -13.128 4.004 769 HG12 VAL 91 HG12 VAL 91 4.246 -14.039 5.312 770 HG13 VAL 91 HG13 VAL 91 4.804 -14.249 3.650 771 HG21 VAL 91 HG21 VAL 91 6.447 -13.455 6.127 772 HG22 VAL 91 HG22 VAL 91 7.334 -12.078 5.469 773 HG23 VAL 91 HG23 VAL 91 7.212 -13.573 4.542 774 H LYS 92 HN LYS 92 4.408 -12.938 1.490 775 HA LYS 92 HA LYS 92 6.498 -14.714 0.641 776 HB2 LYS 92 HB2 LYS 92 3.663 -14.295 -0.257 777 HB3 LYS 92 HB1 LYS 92 4.742 -15.400 -1.092 778 HG2 LYS 92 HG2 LYS 92 4.029 -15.597 1.829 779 HG3 LYS 92 HG1 LYS 92 3.220 -16.489 0.540 780 HD2 LYS 92 HD2 LYS 92 5.444 -17.453 -0.083 781 HD3 LYS 92 HD1 LYS 92 6.122 -16.685 1.353 782 HE2 LYS 92 HE2 LYS 92 3.852 -18.660 1.367 783 HE3 LYS 92 HE1 LYS 92 5.529 -19.080 1.679 784 HZ1 LYS 92 HZ1 LYS 92 5.502 -17.670 3.612 785 HZ2 LYS 92 HZ2 LYS 92 4.227 -18.765 3.710 786 HZ3 LYS 92 HZ3 LYS 92 3.927 -17.166 3.293 787 H ARG 93 HN ARG 93 5.269 -11.684 -0.429 788 HA ARG 93 HA ARG 93 6.173 -11.931 -3.121 789 HB2 ARG 93 HB2 ARG 93 4.314 -10.431 -2.297 790 HB3 ARG 93 HB1 ARG 93 5.564 -9.385 -1.637 791 HG2 ARG 93 HG2 ARG 93 4.917 -8.486 -3.731 792 HG3 ARG 93 HG1 ARG 93 6.512 -9.214 -3.943 793 HD2 ARG 93 HD2 ARG 93 5.096 -9.799 -5.815 794 HD3 ARG 93 HD1 ARG 93 5.431 -11.245 -4.869 795 HE ARG 93 HE ARG 93 3.230 -11.060 -3.915 796 HH11 ARG 93 HH11 ARG 93 3.848 -9.393 -6.986 797 HH12 ARG 93 HH12 ARG 93 2.220 -8.996 -7.255 798 HH21 ARG 93 HH21 ARG 93 0.898 -10.533 -4.343 799 HH22 ARG 93 HH22 ARG 93 0.553 -9.614 -5.743 800 H ILE 94 HN ILE 94 7.544 -10.873 -0.116 801 HA ILE 94 HA ILE 94 9.651 -9.412 -1.398 802 HB ILE 94 HB ILE 94 9.457 -10.146 1.537 803 HG12 ILE 94 HG12 ILE 94 7.535 -8.770 0.880 804 HG13 ILE 94 HG11 ILE 94 8.639 -7.841 1.882 805 HG21 ILE 94 HG21 ILE 94 11.110 -8.031 0.155 806 HG22 ILE 94 HG22 ILE 94 11.715 -9.567 0.758 807 HG23 ILE 94 HG23 ILE 94 11.081 -8.368 1.889 808 HD11 ILE 94 HD11 ILE 94 8.365 -7.659 -1.114 809 HD12 ILE 94 HD12 ILE 94 9.509 -6.743 -0.135 810 HD13 ILE 94 HD13 ILE 94 7.775 -6.495 0.072 811 H LEU 95 HN LEU 95 10.319 -11.143 -2.727 812 HA LEU 95 HA LEU 95 12.857 -11.856 -2.305 813 HB2 LEU 95 HB2 LEU 95 11.554 -13.570 -0.772 814 HB3 LEU 95 HB1 LEU 95 11.088 -14.294 -2.293 815 HG LEU 95 HG LEU 95 12.829 -15.453 -1.297 816 HD11 LEU 95 HD11 LEU 95 14.607 -15.441 -3.065 817 HD12 LEU 95 HD12 LEU 95 13.896 -13.960 -3.702 818 HD13 LEU 95 HD13 LEU 95 12.972 -15.461 -3.721 819 HD21 LEU 95 HD21 LEU 95 14.444 -12.920 -1.275 820 HD22 LEU 95 HD22 LEU 95 15.101 -14.515 -0.917 821 HD23 LEU 95 HD23 LEU 95 13.843 -13.829 0.111 Start of MODEL 2 1 H MET 1 H MET 1 10.407 15.795 -1.620 2 HA MET 1 HA MET 1 11.269 14.755 -4.221 3 HB2 MET 1 HB2 MET 1 13.016 14.479 -2.543 4 HB3 MET 1 HB1 MET 1 11.835 13.807 -1.416 5 HG2 MET 1 HG2 MET 1 13.236 12.074 -2.392 6 HG3 MET 1 HG1 MET 1 11.547 11.874 -2.846 7 HE1 MET 1 HE1 MET 1 13.394 10.563 -6.011 8 HE2 MET 1 HE2 MET 1 12.168 10.226 -4.785 9 HE3 MET 1 HE3 MET 1 13.866 10.356 -4.324 10 H ALA 2 HN ALA 2 10.102 13.152 -4.974 11 HA ALA 2 HA ALA 2 7.944 12.042 -3.348 12 HB1 ALA 2 HB1 ALA 2 6.328 12.341 -5.174 13 HB2 ALA 2 HB2 ALA 2 7.544 13.212 -6.107 14 HB3 ALA 2 HB3 ALA 2 6.932 13.893 -4.597 15 H TYR 3 HN TYR 3 7.009 10.129 -4.425 16 HA TYR 3 HA TYR 3 9.048 8.706 -6.003 17 HB2 TYR 3 HB2 TYR 3 7.121 7.681 -3.906 18 HB3 TYR 3 HB1 TYR 3 8.026 6.636 -4.985 19 HD1 TYR 3 HD2 TYR 3 8.767 9.489 -2.643 20 HD2 TYR 3 HD1 TYR 3 9.839 5.622 -4.047 21 HE1 TYR 3 HE2 TYR 3 10.581 9.392 -0.990 22 HE2 TYR 3 HE1 TYR 3 11.647 5.519 -2.396 23 HH TYR 3 HH TYR 3 12.972 6.876 -1.018 24 H PHE 4 HN PHE 4 8.013 6.857 -7.208 25 HA PHE 4 HA PHE 4 5.581 7.718 -8.556 26 HB2 PHE 4 HB2 PHE 4 7.392 5.320 -8.975 27 HB3 PHE 4 HB1 PHE 4 6.008 5.690 -9.987 28 HD1 PHE 4 HD2 PHE 4 6.060 7.852 -11.313 29 HD2 PHE 4 HD1 PHE 4 9.487 6.251 -9.371 30 HE1 PHE 4 HE2 PHE 4 7.509 9.219 -12.751 31 HE2 PHE 4 HE1 PHE 4 10.945 7.614 -10.804 32 HZ PHE 4 HZ PHE 4 9.961 9.098 -12.498 33 H LEU 5 HN LEU 5 3.787 6.102 -8.735 34 HA LEU 5 HA LEU 5 3.658 4.359 -6.358 35 HB2 LEU 5 HB2 LEU 5 2.300 6.601 -6.355 36 HB3 LEU 5 HB1 LEU 5 1.276 5.803 -7.520 37 HG LEU 5 HG LEU 5 0.258 5.747 -5.329 38 HD11 LEU 5 HD11 LEU 5 1.203 3.026 -6.140 39 HD12 LEU 5 HD12 LEU 5 -0.299 3.832 -6.624 40 HD13 LEU 5 HD13 LEU 5 -0.048 3.337 -4.947 41 HD21 LEU 5 HD21 LEU 5 2.741 4.338 -4.404 42 HD22 LEU 5 HD22 LEU 5 1.269 4.524 -3.463 43 HD23 LEU 5 HD23 LEU 5 2.194 5.949 -3.930 44 H ASP 6 HN ASP 6 3.177 2.250 -6.917 45 HA ASP 6 HA ASP 6 1.515 1.823 -9.268 46 HB2 ASP 6 HB2 ASP 6 4.097 1.598 -9.808 47 HB3 ASP 6 HB1 ASP 6 3.944 0.064 -8.965 48 H PHE 7 HN PHE 7 1.007 -0.633 -9.350 49 HA PHE 7 HA PHE 7 0.476 -1.579 -6.605 50 HB2 PHE 7 HB2 PHE 7 -1.511 -1.549 -8.886 51 HB3 PHE 7 HB1 PHE 7 -1.783 -2.237 -7.301 52 HD1 PHE 7 HD2 PHE 7 -1.505 0.858 -9.244 53 HD2 PHE 7 HD1 PHE 7 -2.344 -0.829 -5.431 54 HE1 PHE 7 HE2 PHE 7 -2.487 2.995 -8.520 55 HE2 PHE 7 HE1 PHE 7 -3.331 1.305 -4.701 56 HZ PHE 7 HZ PHE 7 -3.400 3.219 -6.248 57 H ASP 8 HN ASP 8 0.677 -3.731 -6.363 58 HA ASP 8 HA ASP 8 1.639 -5.483 -8.407 59 HB2 ASP 8 HB2 ASP 8 1.983 -5.707 -5.869 60 HB3 ASP 8 HB1 ASP 8 0.305 -6.223 -5.774 61 H GLU 9 HN GLU 9 0.348 -7.319 -9.259 62 HA GLU 9 HA GLU 9 -2.196 -6.477 -10.151 63 HB2 GLU 9 HB2 GLU 9 -2.491 -8.702 -11.092 64 HB3 GLU 9 HB1 GLU 9 -0.874 -8.104 -11.432 65 HG2 GLU 9 HG2 GLU 9 0.121 -9.580 -9.984 66 HG3 GLU 9 HG1 GLU 9 -1.357 -9.819 -9.050 67 H ARG 10 HN ARG 10 -1.155 -8.412 -7.418 68 HA ARG 10 HA ARG 10 -3.666 -9.508 -6.709 69 HB2 ARG 10 HB2 ARG 10 -1.337 -8.790 -4.895 70 HB3 ARG 10 HB1 ARG 10 -2.675 -9.847 -4.461 71 HG2 ARG 10 HG2 ARG 10 -1.998 -11.427 -6.179 72 HG3 ARG 10 HG1 ARG 10 -0.670 -10.367 -6.646 73 HD2 ARG 10 HD2 ARG 10 0.217 -10.624 -4.306 74 HD3 ARG 10 HD1 ARG 10 -1.034 -11.836 -4.029 75 HE ARG 10 HE ARG 10 0.691 -12.203 -6.319 76 HH11 ARG 10 HH11 ARG 10 -0.128 -13.291 -3.010 77 HH12 ARG 10 HH12 ARG 10 0.891 -14.634 -3.042 78 HH21 ARG 10 HH21 ARG 10 2.051 -14.131 -6.373 79 HH22 ARG 10 HH22 ARG 10 2.173 -15.133 -5.000 80 H ALA 11 HN ALA 11 -1.992 -6.558 -5.893 81 HA ALA 11 HA ALA 11 -3.913 -5.532 -4.108 82 HB1 ALA 11 HB1 ALA 11 -1.599 -4.735 -4.148 83 HB2 ALA 11 HB2 ALA 11 -2.742 -3.409 -4.362 84 HB3 ALA 11 HB3 ALA 11 -1.865 -4.051 -5.751 85 H LEU 12 HN LEU 12 -3.499 -5.310 -7.615 86 HA LEU 12 HA LEU 12 -5.349 -3.236 -8.045 87 HB2 LEU 12 HB2 LEU 12 -4.307 -5.419 -9.809 88 HB3 LEU 12 HB1 LEU 12 -5.507 -4.279 -10.366 89 HG LEU 12 HG LEU 12 -2.747 -3.528 -9.390 90 HD11 LEU 12 HD11 LEU 12 -3.876 -3.723 -12.183 91 HD12 LEU 12 HD12 LEU 12 -2.655 -4.788 -11.484 92 HD13 LEU 12 HD13 LEU 12 -2.291 -3.082 -11.762 93 HD21 LEU 12 HD21 LEU 12 -3.294 -1.335 -10.369 94 HD22 LEU 12 HD22 LEU 12 -4.407 -1.745 -9.068 95 HD23 LEU 12 HD23 LEU 12 -4.915 -1.909 -10.745 96 H LYS 13 HN LYS 13 -5.690 -6.709 -8.014 97 HA LYS 13 HA LYS 13 -8.380 -6.856 -8.782 98 HB2 LYS 13 HB2 LYS 13 -6.657 -8.641 -7.077 99 HB3 LYS 13 HB1 LYS 13 -8.282 -9.078 -7.585 100 HG2 LYS 13 HG2 LYS 13 -7.651 -9.153 -9.864 101 HG3 LYS 13 HG1 LYS 13 -6.112 -8.350 -9.530 102 HD2 LYS 13 HD2 LYS 13 -5.257 -10.199 -8.431 103 HD3 LYS 13 HD1 LYS 13 -6.820 -11.020 -8.339 104 HE2 LYS 13 HE2 LYS 13 -5.476 -12.074 -10.082 105 HE3 LYS 13 HE1 LYS 13 -6.810 -11.212 -10.828 106 HZ1 LYS 13 HZ1 LYS 13 -4.960 -10.758 -12.104 107 HZ2 LYS 13 HZ2 LYS 13 -3.932 -10.584 -10.832 108 HZ3 LYS 13 HZ3 LYS 13 -5.083 -9.353 -11.177 109 H GLU 14 HN GLU 14 -6.859 -6.589 -5.604 110 HA GLU 14 HA GLU 14 -9.261 -6.632 -4.114 111 HB2 GLU 14 HB2 GLU 14 -6.516 -5.567 -3.440 112 HB3 GLU 14 HB1 GLU 14 -7.813 -5.815 -2.276 113 HG2 GLU 14 HG2 GLU 14 -6.642 -7.998 -3.974 114 HG3 GLU 14 HG1 GLU 14 -6.077 -7.641 -2.351 115 H TRP 15 HN TRP 15 -7.276 -4.066 -5.436 116 HA TRP 15 HA TRP 15 -8.503 -1.808 -4.315 117 HB2 TRP 15 HB2 TRP 15 -6.303 -1.799 -5.375 118 HB3 TRP 15 HB1 TRP 15 -7.018 -2.221 -6.913 119 HD1 TRP 15 HD1 TRP 15 -7.986 -0.273 -8.370 120 HE1 TRP 15 HE1 TRP 15 -7.783 2.269 -8.246 121 HE3 TRP 15 HE3 TRP 15 -6.199 0.131 -3.600 122 HZ2 TRP 15 HZ2 TRP 15 -6.954 4.224 -6.349 123 HZ3 TRP 15 HZ3 TRP 15 -5.718 2.375 -2.709 124 HH2 TRP 15 HH2 TRP 15 -6.085 4.371 -4.054 125 H ARG 16 HN ARG 16 -9.141 -3.504 -7.365 126 HA ARG 16 HA ARG 16 -11.266 -1.721 -8.106 127 HB2 ARG 16 HB2 ARG 16 -10.614 -4.451 -9.206 128 HB3 ARG 16 HB1 ARG 16 -11.708 -3.287 -9.939 129 HG2 ARG 16 HG2 ARG 16 -9.841 -1.726 -10.223 130 HG3 ARG 16 HG1 ARG 16 -8.751 -2.923 -9.519 131 HD2 ARG 16 HD2 ARG 16 -8.537 -3.109 -11.863 132 HD3 ARG 16 HD1 ARG 16 -9.490 -4.487 -11.301 133 HE ARG 16 HE ARG 16 -10.822 -2.099 -12.368 134 HH11 ARG 16 HH11 ARG 16 -10.333 -5.608 -12.481 135 HH12 ARG 16 HH12 ARG 16 -11.357 -5.859 -13.786 136 HH21 ARG 16 HH21 ARG 16 -12.227 -2.425 -14.169 137 HH22 ARG 16 HH22 ARG 16 -12.461 -3.984 -14.834 138 H LYS 17 HN LYS 17 -11.002 -4.511 -6.214 139 HA LYS 17 HA LYS 17 -13.759 -5.267 -6.131 140 HB2 LYS 17 HB2 LYS 17 -11.893 -6.768 -5.505 141 HB3 LYS 17 HB1 LYS 17 -11.533 -5.717 -4.148 142 HG2 LYS 17 HG2 LYS 17 -13.771 -6.239 -3.218 143 HG3 LYS 17 HG1 LYS 17 -14.007 -7.379 -4.541 144 HD2 LYS 17 HD2 LYS 17 -13.249 -8.637 -2.654 145 HD3 LYS 17 HD1 LYS 17 -11.912 -8.532 -3.803 146 HE2 LYS 17 HE2 LYS 17 -10.950 -6.681 -2.480 147 HE3 LYS 17 HE1 LYS 17 -12.271 -6.846 -1.324 148 HZ1 LYS 17 HZ1 LYS 17 -10.176 -8.829 -1.969 149 HZ2 LYS 17 HZ2 LYS 17 -11.508 -9.163 -0.981 150 HZ3 LYS 17 HZ3 LYS 17 -10.372 -8.007 -0.505 151 H LEU 18 HN LEU 18 -11.675 -3.148 -4.337 152 HA LEU 18 HA LEU 18 -13.306 -2.439 -2.167 153 HB2 LEU 18 HB2 LEU 18 -10.873 -1.467 -3.402 154 HB3 LEU 18 HB1 LEU 18 -11.853 -0.175 -2.752 155 HG LEU 18 HG LEU 18 -11.804 -1.230 -0.555 156 HD11 LEU 18 HD11 LEU 18 -9.932 -3.231 -1.812 157 HD12 LEU 18 HD12 LEU 18 -11.577 -3.552 -1.263 158 HD13 LEU 18 HD13 LEU 18 -10.336 -3.102 -0.096 159 HD21 LEU 18 HD21 LEU 18 -10.188 0.431 -1.130 160 HD22 LEU 18 HD22 LEU 18 -9.115 -0.797 -1.819 161 HD23 LEU 18 HD23 LEU 18 -9.453 -0.782 -0.082 162 H GLY 19 HN GLY 19 -14.419 -0.521 -1.758 163 HA2 GLY 19 HA2 GLY 19 -16.139 0.345 -3.845 164 HA3 GLY 19 HA1 GLY 19 -16.051 1.025 -2.218 165 H SER 20 HN SER 20 -16.265 2.414 -4.739 166 HA SER 20 HA SER 20 -13.842 3.371 -5.717 167 HB2 SER 20 HB2 SER 20 -16.019 3.635 -6.879 168 HB3 SER 20 HB1 SER 20 -16.473 4.853 -5.691 169 HG SER 20 HG SER 20 -14.675 6.127 -6.431 170 H THR 21 HN THR 21 -15.919 4.777 -3.225 171 HA THR 21 HA THR 21 -14.314 7.081 -2.919 172 HB THR 21 HB THR 21 -16.259 5.924 -0.906 173 HG1 THR 21 HG1 THR 21 -17.384 7.791 -2.335 174 HG21 THR 21 HG21 THR 21 -16.604 8.287 -0.323 175 HG22 THR 21 HG22 THR 21 -15.427 8.766 -1.545 176 HG23 THR 21 HG23 THR 21 -14.908 7.842 -0.135 177 H VAL 22 HN VAL 22 -14.484 3.932 -1.342 178 HA VAL 22 HA VAL 22 -12.761 4.449 0.808 179 HB VAL 22 HB VAL 22 -13.350 1.859 -0.658 180 HG11 VAL 22 HG11 VAL 22 -12.021 2.272 2.018 181 HG12 VAL 22 HG12 VAL 22 -11.231 1.692 0.555 182 HG13 VAL 22 HG13 VAL 22 -12.482 0.718 1.326 183 HG21 VAL 22 HG21 VAL 22 -14.425 3.007 1.905 184 HG22 VAL 22 HG22 VAL 22 -14.824 1.422 1.250 185 HG23 VAL 22 HG23 VAL 22 -15.290 2.885 0.376 186 H ARG 23 HN ARG 23 -12.133 3.132 -2.417 187 HA ARG 23 HA ARG 23 -9.343 2.992 -2.001 188 HB2 ARG 23 HB2 ARG 23 -9.103 2.680 -4.431 189 HB3 ARG 23 HB1 ARG 23 -10.358 1.647 -3.761 190 HG2 ARG 23 HG2 ARG 23 -12.027 2.770 -4.745 191 HG3 ARG 23 HG1 ARG 23 -11.165 4.271 -4.964 192 HD2 ARG 23 HD2 ARG 23 -9.696 2.961 -6.577 193 HD3 ARG 23 HD1 ARG 23 -10.900 1.673 -6.469 194 HE ARG 23 HE ARG 23 -11.887 4.316 -7.160 195 HH11 ARG 23 HH11 ARG 23 -10.890 1.155 -8.341 196 HH12 ARG 23 HH12 ARG 23 -11.619 1.334 -9.872 197 HH21 ARG 23 HH21 ARG 23 -12.878 4.577 -9.237 198 HH22 ARG 23 HH22 ARG 23 -12.799 3.328 -10.387 199 H GLU 24 HN GLU 24 -11.451 5.543 -3.189 200 HA GLU 24 HA GLU 24 -9.399 7.209 -4.095 201 HB2 GLU 24 HB2 GLU 24 -12.209 7.862 -3.225 202 HB3 GLU 24 HB1 GLU 24 -11.102 9.065 -3.880 203 HG2 GLU 24 HG2 GLU 24 -10.906 7.789 -5.947 204 HG3 GLU 24 HG1 GLU 24 -11.973 6.553 -5.294 205 H GLN 25 HN GLN 25 -10.854 6.966 -0.845 206 HA GLN 25 HA GLN 25 -9.291 9.072 0.229 207 HB2 GLN 25 HB2 GLN 25 -10.606 6.712 1.532 208 HB3 GLN 25 HB1 GLN 25 -9.456 7.663 2.447 209 HG2 GLN 25 HG2 GLN 25 -11.616 8.440 3.004 210 HG3 GLN 25 HG1 GLN 25 -10.878 9.666 1.989 211 HE21 GLN 25 HE21 GLN 25 -11.764 10.084 0.012 212 HE22 GLN 25 HE22 GLN 25 -13.272 9.440 -0.506 213 H LEU 26 HN LEU 26 -8.645 5.652 -0.141 214 HA LEU 26 HA LEU 26 -6.137 5.630 1.122 215 HB2 LEU 26 HB2 LEU 26 -7.197 3.914 -1.110 216 HB3 LEU 26 HB1 LEU 26 -5.703 3.592 -0.260 217 HG LEU 26 HG LEU 26 -8.474 3.563 0.973 218 HD11 LEU 26 HD11 LEU 26 -8.096 1.692 -0.496 219 HD12 LEU 26 HD12 LEU 26 -8.110 1.184 1.191 220 HD13 LEU 26 HD13 LEU 26 -6.582 1.335 0.328 221 HD21 LEU 26 HD21 LEU 26 -7.337 2.655 2.953 222 HD22 LEU 26 HD22 LEU 26 -6.807 4.294 2.594 223 HD23 LEU 26 HD23 LEU 26 -5.776 2.924 2.174 224 H LYS 27 HN LYS 27 -7.045 6.180 -2.225 225 HA LYS 27 HA LYS 27 -4.525 6.606 -3.343 226 HB2 LYS 27 HB2 LYS 27 -6.591 6.466 -4.656 227 HB3 LYS 27 HB1 LYS 27 -7.104 8.011 -3.993 228 HG2 LYS 27 HG2 LYS 27 -5.082 9.031 -4.995 229 HG3 LYS 27 HG1 LYS 27 -4.757 7.500 -5.815 230 HD2 LYS 27 HD2 LYS 27 -5.895 8.905 -7.366 231 HD3 LYS 27 HD1 LYS 27 -7.054 7.693 -6.819 232 HE2 LYS 27 HE2 LYS 27 -7.978 9.333 -5.204 233 HE3 LYS 27 HE1 LYS 27 -6.813 10.517 -5.794 234 HZ1 LYS 27 HZ1 LYS 27 -8.910 9.247 -7.473 235 HZ2 LYS 27 HZ2 LYS 27 -7.845 10.473 -7.930 236 HZ3 LYS 27 HZ3 LYS 27 -9.018 10.776 -6.777 237 H LYS 28 HN LYS 28 -6.680 8.875 -1.714 238 HA LYS 28 HA LYS 28 -5.110 11.167 -1.997 239 HB2 LYS 28 HB2 LYS 28 -7.046 10.447 0.208 240 HB3 LYS 28 HB1 LYS 28 -6.309 12.036 0.029 241 HG2 LYS 28 HG2 LYS 28 -7.323 12.273 -2.162 242 HG3 LYS 28 HG1 LYS 28 -8.045 10.673 -2.009 243 HD2 LYS 28 HD2 LYS 28 -9.348 11.432 -0.097 244 HD3 LYS 28 HD1 LYS 28 -8.586 13.025 -0.206 245 HE2 LYS 28 HE2 LYS 28 -9.475 13.270 -2.475 246 HE3 LYS 28 HE1 LYS 28 -10.256 11.699 -2.309 247 HZ1 LYS 28 HZ1 LYS 28 -10.858 14.062 -0.594 248 HZ2 LYS 28 HZ2 LYS 28 -11.683 12.591 -0.585 249 HZ3 LYS 28 HZ3 LYS 28 -11.756 13.587 -1.926 250 H LYS 29 HN LYS 29 -5.031 8.637 0.379 251 HA LYS 29 HA LYS 29 -2.936 9.801 1.884 252 HB2 LYS 29 HB2 LYS 29 -4.111 7.081 1.858 253 HB3 LYS 29 HB1 LYS 29 -2.505 7.304 2.542 254 HG2 LYS 29 HG2 LYS 29 -4.161 7.419 4.276 255 HG3 LYS 29 HG1 LYS 29 -3.372 8.977 4.074 256 HD2 LYS 29 HD2 LYS 29 -5.316 9.706 2.720 257 HD3 LYS 29 HD1 LYS 29 -6.101 8.171 3.103 258 HE2 LYS 29 HE2 LYS 29 -6.883 9.818 4.657 259 HE3 LYS 29 HE1 LYS 29 -5.804 8.665 5.465 260 HZ1 LYS 29 HZ1 LYS 29 -4.830 11.293 4.468 261 HZ2 LYS 29 HZ2 LYS 29 -4.057 10.244 5.538 262 HZ3 LYS 29 HZ3 LYS 29 -5.430 11.072 6.024 263 H LEU 30 HN LEU 30 -2.926 7.629 -0.830 264 HA LEU 30 HA LEU 30 -0.186 7.039 -0.853 265 HB2 LEU 30 HB2 LEU 30 -2.047 7.337 -3.211 266 HB3 LEU 30 HB1 LEU 30 -0.493 6.532 -3.233 267 HG LEU 30 HG LEU 30 -2.927 5.634 -1.700 268 HD11 LEU 30 HD11 LEU 30 -3.155 5.321 -4.103 269 HD12 LEU 30 HD12 LEU 30 -2.971 3.778 -3.272 270 HD13 LEU 30 HD13 LEU 30 -1.607 4.483 -4.144 271 HD21 LEU 30 HD21 LEU 30 -1.612 3.617 -1.237 272 HD22 LEU 30 HD22 LEU 30 -0.922 5.072 -0.521 273 HD23 LEU 30 HD23 LEU 30 -0.198 4.381 -1.975 274 H VAL 31 HN VAL 31 -2.014 9.614 -2.422 275 HA VAL 31 HA VAL 31 0.236 10.703 -3.713 276 HB VAL 31 HB VAL 31 -2.128 11.058 -4.463 277 HG11 VAL 31 HG11 VAL 31 -3.188 11.577 -2.387 278 HG12 VAL 31 HG12 VAL 31 -3.476 12.854 -3.571 279 HG13 VAL 31 HG13 VAL 31 -2.300 13.095 -2.279 280 HG21 VAL 31 HG21 VAL 31 -1.863 13.329 -5.272 281 HG22 VAL 31 HG22 VAL 31 -0.377 12.393 -5.446 282 HG23 VAL 31 HG23 VAL 31 -0.528 13.589 -4.146 283 H GLU 32 HN GLU 32 -1.278 11.524 -0.597 284 HA GLU 32 HA GLU 32 0.495 13.684 -0.103 285 HB2 GLU 32 HB2 GLU 32 -0.304 13.659 2.236 286 HB3 GLU 32 HB1 GLU 32 -1.640 13.579 1.105 287 HG2 GLU 32 HG2 GLU 32 -1.826 11.216 1.464 288 HG3 GLU 32 HG1 GLU 32 -0.475 11.236 2.587 289 H VAL 33 HN VAL 33 0.606 10.254 0.771 290 HA VAL 33 HA VAL 33 2.699 10.495 2.589 291 HB VAL 33 HB VAL 33 1.067 8.541 2.362 292 HG11 VAL 33 HG11 VAL 33 1.790 6.582 1.108 293 HG12 VAL 33 HG12 VAL 33 3.107 7.524 0.412 294 HG13 VAL 33 HG13 VAL 33 1.436 7.956 0.056 295 HG21 VAL 33 HG21 VAL 33 2.780 8.570 4.040 296 HG22 VAL 33 HG22 VAL 33 3.976 8.035 2.862 297 HG23 VAL 33 HG23 VAL 33 2.680 6.943 3.354 298 H LEU 34 HN LEU 34 2.763 10.218 -0.834 299 HA LEU 34 HA LEU 34 5.273 9.224 -1.359 300 HB2 LEU 34 HB2 LEU 34 3.801 11.411 -2.806 301 HB3 LEU 34 HB1 LEU 34 5.240 10.637 -3.426 302 HG LEU 34 HG LEU 34 2.620 9.238 -2.878 303 HD11 LEU 34 HD11 LEU 34 3.887 10.098 -5.468 304 HD12 LEU 34 HD12 LEU 34 2.447 10.803 -4.734 305 HD13 LEU 34 HD13 LEU 34 2.420 9.133 -5.308 306 HD21 LEU 34 HD21 LEU 34 3.639 7.389 -4.130 307 HD22 LEU 34 HD22 LEU 34 4.532 7.743 -2.653 308 HD23 LEU 34 HD23 LEU 34 5.148 8.292 -4.217 309 H GLU 35 HN GLU 35 4.584 12.409 0.013 310 HA GLU 35 HA GLU 35 7.084 13.567 -0.698 311 HB2 GLU 35 HB2 GLU 35 6.566 15.331 0.917 312 HB3 GLU 35 HB1 GLU 35 5.155 14.980 -0.062 313 HG2 GLU 35 HG2 GLU 35 4.270 13.609 1.811 314 HG3 GLU 35 HG1 GLU 35 5.650 14.114 2.781 315 H SER 36 HN SER 36 6.099 11.388 1.815 316 HA SER 36 HA SER 36 8.765 10.843 2.570 317 HB2 SER 36 HB2 SER 36 8.392 12.899 3.956 318 HB3 SER 36 HB1 SER 36 6.994 12.114 4.689 319 HG SER 36 HG SER 36 9.516 11.982 5.401 320 HA PRO 37 HA PRO 37 5.796 7.417 3.148 321 HB2 PRO 37 HB2 PRO 37 6.902 5.634 1.497 322 HB3 PRO 37 HB1 PRO 37 5.881 6.938 0.880 323 HG2 PRO 37 HG2 PRO 37 8.870 6.756 0.947 324 HG3 PRO 37 HG1 PRO 37 7.815 7.305 -0.366 325 HD2 PRO 37 HD2 PRO 37 9.108 9.024 1.337 326 HD3 PRO 37 HD1 PRO 37 7.559 9.390 0.532 327 H ARG 38 HN ARG 38 8.803 8.103 4.073 328 HA ARG 38 HA ARG 38 9.505 5.458 5.049 329 HB2 ARG 38 HB2 ARG 38 11.608 6.633 5.885 330 HB3 ARG 38 HB1 ARG 38 11.384 6.560 4.155 331 HG2 ARG 38 HG2 ARG 38 12.238 8.718 4.631 332 HG3 ARG 38 HG1 ARG 38 10.542 8.935 4.265 333 HD2 ARG 38 HD2 ARG 38 11.220 10.316 6.158 334 HD3 ARG 38 HD1 ARG 38 10.031 9.108 6.646 335 HE ARG 38 HE ARG 38 12.532 8.024 7.119 336 HH11 ARG 38 HH11 ARG 38 10.712 10.827 8.298 337 HH12 ARG 38 HH12 ARG 38 11.340 10.745 9.878 338 HH21 ARG 38 HH21 ARG 38 13.419 7.939 9.324 339 HH22 ARG 38 HH22 ARG 38 12.902 9.093 10.456 340 H ILE 39 HN ILE 39 7.187 6.429 6.093 341 HA ILE 39 HA ILE 39 7.692 7.670 8.642 342 HB ILE 39 HB ILE 39 5.067 6.720 7.436 343 HG12 ILE 39 HG12 ILE 39 6.206 9.498 7.726 344 HG13 ILE 39 HG11 ILE 39 6.287 8.549 6.246 345 HG21 ILE 39 HG21 ILE 39 4.954 6.806 9.900 346 HG22 ILE 39 HG22 ILE 39 3.992 8.096 9.179 347 HG23 ILE 39 HG23 ILE 39 5.573 8.458 9.870 348 HD11 ILE 39 HD11 ILE 39 4.580 10.167 6.094 349 HD12 ILE 39 HD12 ILE 39 3.814 9.617 7.596 350 HD13 ILE 39 HD13 ILE 39 3.825 8.577 6.161 351 H GLU 40 HN GLU 40 8.495 6.516 10.119 352 HA GLU 40 HA GLU 40 8.693 3.767 10.291 353 HB2 GLU 40 HB2 GLU 40 9.509 4.154 12.590 354 HB3 GLU 40 HB1 GLU 40 10.254 5.194 11.383 355 HG2 GLU 40 HG2 GLU 40 8.850 7.043 12.060 356 HG3 GLU 40 HG1 GLU 40 8.009 6.011 13.212 357 H ALA 41 HN ALA 41 6.202 5.810 11.647 358 HA ALA 41 HA ALA 41 5.151 3.947 13.504 359 HB1 ALA 41 HB1 ALA 41 4.675 6.350 13.629 360 HB2 ALA 41 HB2 ALA 41 3.187 5.403 13.583 361 HB3 ALA 41 HB3 ALA 41 3.744 6.243 12.134 362 H ASN 42 HN ASN 42 4.679 4.432 10.095 363 HA ASN 42 HA ASN 42 2.417 2.598 10.058 364 HB2 ASN 42 HB2 ASN 42 3.625 4.337 7.905 365 HB3 ASN 42 HB1 ASN 42 2.348 3.171 7.601 366 HD21 ASN 42 HD21 ASN 42 2.312 6.023 7.228 367 HD22 ASN 42 HD22 ASN 42 1.020 6.627 8.197 368 H LYS 43 HN LYS 43 5.729 2.300 10.046 369 HA LYS 43 HA LYS 43 6.013 0.559 7.882 370 HB2 LYS 43 HB2 LYS 43 7.695 2.140 8.816 371 HB3 LYS 43 HB1 LYS 43 7.787 1.095 10.230 372 HG2 LYS 43 HG2 LYS 43 8.650 -0.627 9.062 373 HG3 LYS 43 HG1 LYS 43 8.156 0.095 7.508 374 HD2 LYS 43 HD2 LYS 43 9.751 1.987 8.002 375 HD3 LYS 43 HD1 LYS 43 10.372 1.029 9.349 376 HE2 LYS 43 HE2 LYS 43 11.250 -0.595 7.929 377 HE3 LYS 43 HE1 LYS 43 10.262 -0.058 6.567 378 HZ1 LYS 43 HZ1 LYS 43 11.534 2.026 6.608 379 HZ2 LYS 43 HZ2 LYS 43 12.432 0.722 6.156 380 HZ3 LYS 43 HZ3 LYS 43 12.621 1.358 7.721 381 H LEU 44 HN LEU 44 6.120 -1.563 7.958 382 HA LEU 44 HA LEU 44 4.814 -2.860 10.188 383 HB2 LEU 44 HB2 LEU 44 5.727 -3.969 7.546 384 HB3 LEU 44 HB1 LEU 44 4.766 -4.834 8.734 385 HG LEU 44 HG LEU 44 3.922 -2.408 7.153 386 HD11 LEU 44 HD11 LEU 44 3.022 -5.265 7.088 387 HD12 LEU 44 HD12 LEU 44 3.917 -4.404 5.822 388 HD13 LEU 44 HD13 LEU 44 2.264 -3.925 6.240 389 HD21 LEU 44 HD21 LEU 44 2.425 -3.985 9.228 390 HD22 LEU 44 HD22 LEU 44 1.742 -2.769 8.146 391 HD23 LEU 44 HD23 LEU 44 2.948 -2.294 9.348 392 H ARG 45 HN ARG 45 5.643 -4.798 11.143 393 HA ARG 45 HA ARG 45 8.463 -4.527 11.737 394 HB2 ARG 45 HB2 ARG 45 6.654 -4.759 13.491 395 HB3 ARG 45 HB1 ARG 45 6.381 -6.384 12.919 396 HG2 ARG 45 HG2 ARG 45 9.026 -5.467 14.065 397 HG3 ARG 45 HG1 ARG 45 7.738 -6.172 15.029 398 HD2 ARG 45 HD2 ARG 45 9.188 -7.499 12.738 399 HD3 ARG 45 HD1 ARG 45 9.428 -7.836 14.455 400 HE ARG 45 HE ARG 45 6.876 -8.340 14.281 401 HH11 ARG 45 HH11 ARG 45 9.399 -9.279 11.981 402 HH12 ARG 45 HH12 ARG 45 8.560 -10.649 11.407 403 HH21 ARG 45 HH21 ARG 45 5.768 -10.231 13.545 404 HH22 ARG 45 HH22 ARG 45 6.468 -11.240 12.355 405 H GLY 46 HN GLY 46 9.916 -5.658 10.664 406 HA2 GLY 46 HA2 GLY 46 11.017 -7.547 9.931 407 HA3 GLY 46 HA1 GLY 46 9.586 -8.488 10.317 408 H MET 47 HN MET 47 8.984 -5.825 8.390 409 HA MET 47 HA MET 47 8.832 -7.563 6.034 410 HB2 MET 47 HB2 MET 47 7.192 -5.141 6.784 411 HB3 MET 47 HB1 MET 47 7.074 -5.968 5.242 412 HG2 MET 47 HG2 MET 47 6.520 -7.265 7.908 413 HG3 MET 47 HG1 MET 47 5.282 -6.559 6.878 414 HE1 MET 47 HE1 MET 47 6.138 -7.383 3.944 415 HE2 MET 47 HE2 MET 47 4.505 -7.548 4.592 416 HE3 MET 47 HE3 MET 47 5.269 -8.910 3.781 417 HA PRO 48 HA PRO 48 12.065 -4.993 4.501 418 HB2 PRO 48 HB2 PRO 48 11.787 -5.536 1.816 419 HB3 PRO 48 HB1 PRO 48 12.613 -6.601 2.957 420 HG2 PRO 48 HG2 PRO 48 9.835 -6.763 1.881 421 HG3 PRO 48 HG1 PRO 48 10.994 -8.068 2.196 422 HD2 PRO 48 HD2 PRO 48 8.935 -7.521 3.856 423 HD3 PRO 48 HD1 PRO 48 10.490 -8.138 4.448 424 H ASP 49 HN ASP 49 11.304 -3.024 4.992 425 HA ASP 49 HA ASP 49 10.362 -1.021 4.841 426 HB2 ASP 49 HB2 ASP 49 11.723 -1.384 2.235 427 HB3 ASP 49 HB1 ASP 49 10.671 0.022 2.399 428 H CYS 50 HN CYS 50 8.395 -2.684 4.957 429 HA CYS 50 HA CYS 50 6.519 -1.750 2.936 430 HB2 CYS 50 HB2 CYS 50 6.211 -3.960 4.974 431 HB3 CYS 50 HB1 CYS 50 5.079 -3.567 3.685 432 HG CYS 50 HG CYS 50 8.149 -4.176 2.547 433 H TYR 51 HN TYR 51 4.740 -0.661 3.515 434 HA TYR 51 HA TYR 51 4.503 0.231 6.288 435 HB2 TYR 51 HB2 TYR 51 4.477 2.006 3.821 436 HB3 TYR 51 HB1 TYR 51 4.099 2.539 5.447 437 HD1 TYR 51 HD2 TYR 51 6.843 1.209 3.312 438 HD2 TYR 51 HD1 TYR 51 5.835 3.256 6.891 439 HE1 TYR 51 HE2 TYR 51 9.213 1.753 3.657 440 HE2 TYR 51 HE1 TYR 51 8.201 3.808 7.241 441 HH TYR 51 HH TYR 51 10.549 3.386 4.827 442 H LYS 52 HN LYS 52 2.399 0.863 6.798 443 HA LYS 52 HA LYS 52 0.359 -0.015 4.876 444 HB2 LYS 52 HB2 LYS 52 -1.031 -0.656 6.815 445 HB3 LYS 52 HB1 LYS 52 0.459 -1.585 6.728 446 HG2 LYS 52 HG2 LYS 52 1.446 -0.289 8.480 447 HG3 LYS 52 HG1 LYS 52 0.097 0.839 8.467 448 HD2 LYS 52 HD2 LYS 52 -1.394 -0.916 9.254 449 HD3 LYS 52 HD1 LYS 52 -0.060 -2.077 9.233 450 HE2 LYS 52 HE2 LYS 52 1.133 -0.837 10.877 451 HE3 LYS 52 HE1 LYS 52 -0.032 0.475 10.797 452 HZ1 LYS 52 HZ1 LYS 52 -0.527 -2.268 11.854 453 HZ2 LYS 52 HZ2 LYS 52 -1.701 -1.063 11.682 454 HZ3 LYS 52 HZ3 LYS 52 -0.415 -0.833 12.740 455 H ILE 53 HN ILE 53 -1.389 1.210 4.653 456 HA ILE 53 HA ILE 53 -1.463 3.784 6.059 457 HB ILE 53 HB ILE 53 -2.666 2.956 3.409 458 HG12 ILE 53 HG12 ILE 53 -0.610 5.076 4.064 459 HG13 ILE 53 HG11 ILE 53 -0.258 3.488 3.385 460 HG21 ILE 53 HG21 ILE 53 -4.259 4.408 4.564 461 HG22 ILE 53 HG22 ILE 53 -3.536 5.261 3.209 462 HG23 ILE 53 HG23 ILE 53 -3.004 5.606 4.845 463 HD11 ILE 53 HD11 ILE 53 -0.299 5.365 1.728 464 HD12 ILE 53 HD12 ILE 53 -2.038 5.499 2.038 465 HD13 ILE 53 HD13 ILE 53 -1.374 4.021 1.374 466 H LYS 54 HN LYS 54 -3.075 4.153 7.355 467 HA LYS 54 HA LYS 54 -5.336 2.364 7.317 468 HB2 LYS 54 HB2 LYS 54 -5.775 3.606 9.637 469 HB3 LYS 54 HB1 LYS 54 -4.673 2.250 9.520 470 HG2 LYS 54 HG2 LYS 54 -3.687 3.968 10.884 471 HG3 LYS 54 HG1 LYS 54 -2.780 3.832 9.382 472 HD2 LYS 54 HD2 LYS 54 -4.135 5.789 8.541 473 HD3 LYS 54 HD1 LYS 54 -4.736 5.974 10.190 474 HE2 LYS 54 HE2 LYS 54 -1.865 5.992 9.346 475 HE3 LYS 54 HE1 LYS 54 -2.817 7.440 9.700 476 HZ1 LYS 54 HZ1 LYS 54 -2.105 5.281 11.643 477 HZ2 LYS 54 HZ2 LYS 54 -3.072 6.606 11.989 478 HZ3 LYS 54 HZ3 LYS 54 -1.469 6.837 11.610 479 H LEU 55 HN LEU 55 -7.363 3.106 6.998 480 HA LEU 55 HA LEU 55 -7.537 5.747 5.792 481 HB2 LEU 55 HB2 LEU 55 -8.494 3.456 4.910 482 HB3 LEU 55 HB1 LEU 55 -9.797 3.757 6.027 483 HG LEU 55 HG LEU 55 -9.085 5.662 3.779 484 HD11 LEU 55 HD11 LEU 55 -10.935 4.673 2.546 485 HD12 LEU 55 HD12 LEU 55 -11.131 3.459 3.807 486 HD13 LEU 55 HD13 LEU 55 -9.656 3.502 2.845 487 HD21 LEU 55 HD21 LEU 55 -11.371 6.478 4.076 488 HD22 LEU 55 HD22 LEU 55 -10.450 6.641 5.573 489 HD23 LEU 55 HD23 LEU 55 -11.617 5.332 5.394 490 H ARG 56 HN ARG 56 -8.022 4.257 8.725 491 HA ARG 56 HA ARG 56 -8.556 5.003 10.791 492 HB2 ARG 56 HB2 ARG 56 -7.779 7.262 10.065 493 HB3 ARG 56 HB1 ARG 56 -9.396 7.605 9.483 494 HG2 ARG 56 HG2 ARG 56 -10.155 7.168 11.890 495 HG3 ARG 56 HG1 ARG 56 -8.446 7.310 12.310 496 HD2 ARG 56 HD2 ARG 56 -10.174 9.376 10.963 497 HD3 ARG 56 HD1 ARG 56 -9.504 9.457 12.589 498 HE ARG 56 HE ARG 56 -7.293 9.305 11.187 499 HH11 ARG 56 HH11 ARG 56 -10.168 11.311 10.667 500 HH12 ARG 56 HH12 ARG 56 -9.374 12.515 9.777 501 HH21 ARG 56 HH21 ARG 56 -6.170 10.992 9.940 502 HH22 ARG 56 HH22 ARG 56 -7.039 12.339 9.373 503 H SER 57 HN SER 57 -10.946 6.359 8.580 504 HA SER 57 HA SER 57 -13.084 5.855 10.391 505 HB2 SER 57 HB2 SER 57 -13.182 6.682 7.492 506 HB3 SER 57 HB1 SER 57 -14.473 6.863 8.684 507 HG SER 57 HG SER 57 -12.968 8.156 9.903 508 H SER 58 HN SER 58 -12.454 4.579 7.098 509 HA SER 58 HA SER 58 -14.608 2.811 7.136 510 HB2 SER 58 HB2 SER 58 -12.171 2.749 5.407 511 HB3 SER 58 HB1 SER 58 -13.775 2.118 5.022 512 HG SER 58 HG SER 58 -14.429 4.042 4.551 513 H GLY 59 HN GLY 59 -11.309 2.369 8.298 514 HA2 GLY 59 HA2 GLY 59 -10.565 0.527 9.546 515 HA3 GLY 59 HA1 GLY 59 -12.005 -0.355 9.054 516 H TYR 60 HN TYR 60 -10.235 1.251 6.642 517 HA TYR 60 HA TYR 60 -9.400 -1.330 5.586 518 HB2 TYR 60 HB2 TYR 60 -9.959 1.305 4.258 519 HB3 TYR 60 HB1 TYR 60 -9.007 0.070 3.448 520 HD1 TYR 60 HD1 TYR 60 -12.305 0.495 5.169 521 HD2 TYR 60 HD2 TYR 60 -10.085 -1.495 2.149 522 HE1 TYR 60 HE1 TYR 60 -14.375 -0.564 4.356 523 HE2 TYR 60 HE2 TYR 60 -12.135 -2.559 1.330 524 HH TYR 60 HH TYR 60 -14.292 -3.122 2.061 525 H ARG 61 HN ARG 61 -7.375 -1.638 4.736 526 HA ARG 61 HA ARG 61 -5.305 0.222 5.584 527 HB2 ARG 61 HB2 ARG 61 -5.289 -2.778 6.053 528 HB3 ARG 61 HB1 ARG 61 -3.860 -1.779 6.142 529 HG2 ARG 61 HG2 ARG 61 -4.544 -2.205 8.364 530 HG3 ARG 61 HG1 ARG 61 -4.977 -0.531 8.031 531 HD2 ARG 61 HD2 ARG 61 -7.286 -1.134 7.751 532 HD3 ARG 61 HD1 ARG 61 -6.899 -2.851 7.835 533 HE ARG 61 HE ARG 61 -6.146 -1.291 10.133 534 HH11 ARG 61 HH11 ARG 61 -8.873 -2.977 8.669 535 HH12 ARG 61 HH12 ARG 61 -9.448 -3.699 10.069 536 HH21 ARG 61 HH21 ARG 61 -6.994 -2.160 12.201 537 HH22 ARG 61 HH22 ARG 61 -8.378 -3.148 12.168 538 H LEU 62 HN LEU 62 -3.614 0.284 4.230 539 HA LEU 62 HA LEU 62 -3.670 -1.438 1.852 540 HB2 LEU 62 HB2 LEU 62 -4.555 0.850 1.376 541 HB3 LEU 62 HB1 LEU 62 -3.076 1.537 1.984 542 HG LEU 62 HG LEU 62 -3.047 -0.265 -0.435 543 HD11 LEU 62 HD11 LEU 62 -3.486 2.720 -0.346 544 HD12 LEU 62 HD12 LEU 62 -4.665 1.513 -0.864 545 HD13 LEU 62 HD13 LEU 62 -3.191 1.764 -1.799 546 HD21 LEU 62 HD21 LEU 62 -1.052 1.040 -0.963 547 HD22 LEU 62 HD22 LEU 62 -0.902 0.268 0.618 548 HD23 LEU 62 HD23 LEU 62 -1.284 1.988 0.505 549 H VAL 63 HN VAL 63 -1.724 -2.431 1.484 550 HA VAL 63 HA VAL 63 0.507 -1.560 3.186 551 HB VAL 63 HB VAL 63 -0.069 -4.378 2.218 552 HG11 VAL 63 HG11 VAL 63 2.312 -3.945 2.555 553 HG12 VAL 63 HG12 VAL 63 1.692 -5.053 3.782 554 HG13 VAL 63 HG13 VAL 63 1.980 -3.366 4.190 555 HG21 VAL 63 HG21 VAL 63 -1.730 -3.697 3.872 556 HG22 VAL 63 HG22 VAL 63 -0.445 -3.200 4.975 557 HG23 VAL 63 HG23 VAL 63 -0.635 -4.900 4.553 558 H TYR 64 HN TYR 64 2.235 -0.911 2.146 559 HA TYR 64 HA TYR 64 2.737 -1.886 -0.558 560 HB2 TYR 64 HB2 TYR 64 3.344 0.372 -1.323 561 HB3 TYR 64 HB1 TYR 64 1.662 0.281 -0.831 562 HD1 TYR 64 HD2 TYR 64 5.006 1.277 0.561 563 HD2 TYR 64 HD1 TYR 64 0.823 1.971 0.463 564 HE1 TYR 64 HE2 TYR 64 5.312 3.264 1.958 565 HE2 TYR 64 HE1 TYR 64 1.117 3.956 1.837 566 HH TYR 64 HH TYR 64 2.745 4.825 3.461 567 H GLN 65 HN GLN 65 4.937 -1.599 -1.234 568 HA GLN 65 HA GLN 65 6.774 -1.355 1.041 569 HB2 GLN 65 HB2 GLN 65 8.349 -2.735 -0.185 570 HB3 GLN 65 HB1 GLN 65 6.829 -3.599 -0.015 571 HG2 GLN 65 HG2 GLN 65 6.243 -2.999 -2.319 572 HG3 GLN 65 HG1 GLN 65 7.771 -2.139 -2.475 573 HE21 GLN 65 HE21 GLN 65 9.208 -4.192 -0.926 574 HE22 GLN 65 HE22 GLN 65 9.373 -5.538 -1.977 575 H VAL 66 HN VAL 66 8.443 0.049 0.843 576 HA VAL 66 HA VAL 66 8.238 1.875 -1.424 577 HB VAL 66 HB VAL 66 9.772 2.149 1.187 578 HG11 VAL 66 HG11 VAL 66 9.391 4.165 -1.034 579 HG12 VAL 66 HG12 VAL 66 10.897 3.341 -0.629 580 HG13 VAL 66 HG13 VAL 66 10.175 4.469 0.518 581 HG21 VAL 66 HG21 VAL 66 8.131 3.867 1.724 582 HG22 VAL 66 HG22 VAL 66 7.364 2.299 1.469 583 HG23 VAL 66 HG23 VAL 66 7.278 3.538 0.215 584 H ILE 67 HN ILE 67 9.447 1.336 -3.104 585 HA ILE 67 HA ILE 67 11.981 0.001 -2.579 586 HB ILE 67 HB ILE 67 10.678 0.518 -5.278 587 HG12 ILE 67 HG12 ILE 67 10.535 -2.006 -3.602 588 HG13 ILE 67 HG11 ILE 67 9.210 -0.873 -3.818 589 HG21 ILE 67 HG21 ILE 67 12.832 -1.407 -4.375 590 HG22 ILE 67 HG22 ILE 67 13.085 0.060 -5.322 591 HG23 ILE 67 HG23 ILE 67 12.186 -1.294 -6.012 592 HD11 ILE 67 HD11 ILE 67 10.509 -2.498 -5.997 593 HD12 ILE 67 HD12 ILE 67 9.182 -1.358 -6.212 594 HD13 ILE 67 HD13 ILE 67 8.942 -2.816 -5.250 595 H ASP 68 HN ASP 68 13.262 1.580 -1.975 596 HA ASP 68 HA ASP 68 13.102 4.222 -3.030 597 HB2 ASP 68 HB2 ASP 68 13.770 3.728 -0.681 598 HB3 ASP 68 HB1 ASP 68 15.258 3.010 -1.283 599 H GLU 69 HN GLU 69 15.008 1.406 -3.670 600 HA GLU 69 HA GLU 69 17.063 2.456 -5.264 601 HB2 GLU 69 HB2 GLU 69 15.566 -0.145 -5.563 602 HB3 GLU 69 HB1 GLU 69 16.984 0.265 -6.492 603 HG2 GLU 69 HG2 GLU 69 18.291 0.348 -4.405 604 HG3 GLU 69 HG1 GLU 69 16.842 -0.130 -3.512 605 H LYS 70 HN LYS 70 13.739 1.645 -6.073 606 HA LYS 70 HA LYS 70 14.243 2.389 -8.850 607 HB2 LYS 70 HB2 LYS 70 11.912 0.975 -7.576 608 HB3 LYS 70 HB1 LYS 70 11.987 1.380 -9.290 609 HG2 LYS 70 HG2 LYS 70 13.946 -0.066 -9.520 610 HG3 LYS 70 HG1 LYS 70 13.871 -0.444 -7.797 611 HD2 LYS 70 HD2 LYS 70 11.610 -1.404 -8.153 612 HD3 LYS 70 HD1 LYS 70 11.767 -1.071 -9.873 613 HE2 LYS 70 HE2 LYS 70 13.586 -2.880 -8.274 614 HE3 LYS 70 HE1 LYS 70 12.266 -3.423 -9.302 615 HZ1 LYS 70 HZ1 LYS 70 13.402 -2.456 -11.203 616 HZ2 LYS 70 HZ2 LYS 70 14.383 -3.589 -10.457 617 HZ3 LYS 70 HZ3 LYS 70 14.681 -1.945 -10.243 618 H VAL 71 HN VAL 71 13.183 3.756 -6.054 619 HA VAL 71 HA VAL 71 12.177 5.675 -5.454 620 HB VAL 71 HB VAL 71 12.254 6.454 -8.417 621 HG11 VAL 71 HG11 VAL 71 12.365 8.770 -7.617 622 HG12 VAL 71 HG12 VAL 71 12.232 8.200 -5.954 623 HG13 VAL 71 HG13 VAL 71 10.890 7.969 -7.071 624 HG21 VAL 71 HG21 VAL 71 14.481 5.778 -7.710 625 HG22 VAL 71 HG22 VAL 71 14.392 6.862 -6.320 626 HG23 VAL 71 HG23 VAL 71 14.421 7.523 -7.956 627 H VAL 72 HN VAL 72 10.593 3.415 -5.879 628 HA VAL 72 HA VAL 72 8.089 4.696 -6.612 629 HB VAL 72 HB VAL 72 8.756 3.373 -8.589 630 HG11 VAL 72 HG11 VAL 72 10.105 1.702 -7.532 631 HG12 VAL 72 HG12 VAL 72 8.861 0.953 -8.540 632 HG13 VAL 72 HG13 VAL 72 8.679 0.978 -6.780 633 HG21 VAL 72 HG21 VAL 72 6.710 2.036 -8.875 634 HG22 VAL 72 HG22 VAL 72 6.360 3.599 -8.133 635 HG23 VAL 72 HG23 VAL 72 6.405 2.145 -7.143 636 H VAL 73 HN VAL 73 6.442 4.240 -5.392 637 HA VAL 73 HA VAL 73 6.773 2.472 -3.119 638 HB VAL 73 HB VAL 73 4.714 4.599 -3.828 639 HG11 VAL 73 HG11 VAL 73 3.674 2.805 -2.549 640 HG12 VAL 73 HG12 VAL 73 3.817 4.273 -1.581 641 HG13 VAL 73 HG13 VAL 73 4.940 2.935 -1.330 642 HG21 VAL 73 HG21 VAL 73 6.866 5.513 -3.181 643 HG22 VAL 73 HG22 VAL 73 6.853 4.541 -1.711 644 HG23 VAL 73 HG23 VAL 73 5.661 5.823 -1.931 645 H PHE 74 HN PHE 74 5.999 0.491 -3.374 646 HA PHE 74 HA PHE 74 4.165 0.029 -5.618 647 HB2 PHE 74 HB2 PHE 74 6.524 -0.862 -5.751 648 HB3 PHE 74 HB1 PHE 74 6.121 -1.920 -4.407 649 HD1 PHE 74 HD2 PHE 74 5.161 -1.005 -7.824 650 HD2 PHE 74 HD1 PHE 74 5.096 -3.995 -4.817 651 HE1 PHE 74 HE2 PHE 74 4.285 -2.604 -9.454 652 HE2 PHE 74 HE1 PHE 74 4.220 -5.620 -6.455 653 HZ PHE 74 HZ PHE 74 3.819 -4.923 -8.775 654 H VAL 75 HN VAL 75 2.196 -0.358 -4.917 655 HA VAL 75 HA VAL 75 1.623 -1.264 -2.258 656 HB VAL 75 HB VAL 75 -0.244 -0.985 -4.630 657 HG11 VAL 75 HG11 VAL 75 -0.850 -1.172 -1.681 658 HG12 VAL 75 HG12 VAL 75 -1.200 -2.395 -2.899 659 HG13 VAL 75 HG13 VAL 75 -2.037 -0.841 -2.942 660 HG21 VAL 75 HG21 VAL 75 0.436 0.991 -2.450 661 HG22 VAL 75 HG22 VAL 75 -0.868 1.188 -3.618 662 HG23 VAL 75 HG23 VAL 75 0.805 1.136 -4.167 663 H ILE 76 HN ILE 76 1.438 -3.292 -1.595 664 HA ILE 76 HA ILE 76 1.672 -5.410 -3.609 665 HB ILE 76 HB ILE 76 1.967 -5.649 -0.601 666 HG12 ILE 76 HG12 ILE 76 4.156 -5.386 -2.686 667 HG13 ILE 76 HG11 ILE 76 3.670 -4.112 -1.572 668 HG21 ILE 76 HG21 ILE 76 2.777 -7.490 -2.863 669 HG22 ILE 76 HG22 ILE 76 1.459 -7.762 -1.720 670 HG23 ILE 76 HG23 ILE 76 3.133 -7.755 -1.158 671 HD11 ILE 76 HD11 ILE 76 5.695 -5.240 -0.822 672 HD12 ILE 76 HD12 ILE 76 4.830 -6.779 -0.800 673 HD13 ILE 76 HD13 ILE 76 4.367 -5.494 0.314 674 H SER 77 HN SER 77 -0.298 -4.379 -0.839 675 HA SER 77 HA SER 77 -2.483 -6.025 -1.790 676 HB2 SER 77 HB2 SER 77 -1.295 -6.287 0.982 677 HB3 SER 77 HB1 SER 77 -2.789 -7.063 0.438 678 HG SER 77 HG SER 77 -0.868 -7.591 -1.312 679 H VAL 78 HN VAL 78 -4.529 -5.333 -0.916 680 HA VAL 78 HA VAL 78 -4.554 -3.065 0.832 681 HB VAL 78 HB VAL 78 -4.233 -2.035 -1.386 682 HG11 VAL 78 HG11 VAL 78 -5.932 -2.187 -3.133 683 HG12 VAL 78 HG12 VAL 78 -6.762 -3.431 -2.195 684 HG13 VAL 78 HG13 VAL 78 -5.136 -3.727 -2.813 685 HG21 VAL 78 HG21 VAL 78 -7.021 -1.621 -0.328 686 HG22 VAL 78 HG22 VAL 78 -6.157 -0.516 -1.403 687 HG23 VAL 78 HG23 VAL 78 -5.555 -0.814 0.227 688 H GLY 79 HN GLY 79 -6.582 -2.827 1.859 689 HA2 GLY 79 HA2 GLY 79 -9.033 -3.518 1.296 690 HA3 GLY 79 HA1 GLY 79 -8.352 -5.119 1.568 691 H LYS 80 HN LYS 80 -8.805 -5.815 3.520 692 HA LYS 80 HA LYS 80 -8.579 -3.900 5.692 693 HB2 LYS 80 HB2 LYS 80 -10.639 -6.098 5.390 694 HB3 LYS 80 HB1 LYS 80 -10.349 -5.207 6.883 695 HG2 LYS 80 HG2 LYS 80 -10.974 -3.126 5.810 696 HG3 LYS 80 HG1 LYS 80 -11.201 -3.957 4.276 697 HD2 LYS 80 HD2 LYS 80 -12.776 -4.510 6.793 698 HD3 LYS 80 HD1 LYS 80 -13.318 -3.468 5.479 699 HE2 LYS 80 HE2 LYS 80 -13.188 -5.396 3.939 700 HE3 LYS 80 HE1 LYS 80 -12.698 -6.414 5.293 701 HZ1 LYS 80 HZ1 LYS 80 -14.800 -5.912 6.366 702 HZ2 LYS 80 HZ2 LYS 80 -15.042 -6.656 4.893 703 HZ3 LYS 80 HZ3 LYS 80 -15.297 -4.994 5.047 704 H ALA 81 HN ALA 81 -8.310 -5.159 7.844 705 HA ALA 81 HA ALA 81 -6.321 -7.257 7.335 706 HB1 ALA 81 HB1 ALA 81 -5.207 -5.119 7.776 707 HB2 ALA 81 HB2 ALA 81 -4.940 -6.262 9.089 708 HB3 ALA 81 HB3 ALA 81 -6.111 -4.954 9.283 709 H GLU 82 HN GLU 82 -9.025 -7.489 7.963 710 HA GLU 82 HA GLU 82 -9.608 -7.687 10.725 711 HB2 GLU 82 HB2 GLU 82 -10.986 -9.131 8.465 712 HB3 GLU 82 HB1 GLU 82 -11.642 -8.776 10.054 713 HG2 GLU 82 HG2 GLU 82 -11.028 -6.838 7.844 714 HG3 GLU 82 HG1 GLU 82 -12.607 -7.263 8.495 715 H ALA 83 HN ALA 83 -8.552 -9.996 8.297 716 HA ALA 83 HA ALA 83 -8.180 -11.996 10.429 717 HB1 ALA 83 HB1 ALA 83 -8.679 -12.436 7.477 718 HB2 ALA 83 HB2 ALA 83 -9.850 -12.698 8.770 719 HB3 ALA 83 HB3 ALA 83 -8.405 -13.702 8.672 720 H SER 84 HN SER 84 -6.607 -9.734 9.168 721 HA SER 84 HA SER 84 -4.461 -9.180 8.726 722 HB2 SER 84 HB2 SER 84 -3.818 -12.049 9.488 723 HB3 SER 84 HB1 SER 84 -2.653 -10.731 9.374 724 HG SER 84 HG SER 84 -4.916 -10.602 11.058 725 H GLU 85 HN GLU 85 -6.282 -10.362 6.685 726 HA GLU 85 HA GLU 85 -4.969 -12.144 5.033 727 HB2 GLU 85 HB2 GLU 85 -6.645 -11.442 3.314 728 HB3 GLU 85 HB1 GLU 85 -7.324 -12.002 4.826 729 HG2 GLU 85 HG2 GLU 85 -6.966 -9.074 4.276 730 HG3 GLU 85 HG1 GLU 85 -8.349 -9.949 3.632 731 H VAL 86 HN VAL 86 -5.020 -8.621 4.949 732 HA VAL 86 HA VAL 86 -3.570 -8.431 2.529 733 HB VAL 86 HB VAL 86 -3.044 -6.075 3.159 734 HG11 VAL 86 HG11 VAL 86 -5.910 -6.905 3.519 735 HG12 VAL 86 HG12 VAL 86 -5.092 -6.595 1.987 736 HG13 VAL 86 HG13 VAL 86 -5.355 -5.279 3.130 737 HG21 VAL 86 HG21 VAL 86 -2.834 -6.342 5.580 738 HG22 VAL 86 HG22 VAL 86 -4.549 -6.740 5.696 739 HG23 VAL 86 HG23 VAL 86 -4.051 -5.125 5.196 740 H TYR 87 HN TYR 87 -2.536 -9.117 5.720 741 HA TYR 87 HA TYR 87 0.208 -8.402 5.154 742 HB2 TYR 87 HB2 TYR 87 -0.953 -9.902 7.516 743 HB3 TYR 87 HB1 TYR 87 0.711 -9.355 7.376 744 HD1 TYR 87 HD1 TYR 87 0.859 -6.723 6.755 745 HD2 TYR 87 HD2 TYR 87 -2.329 -8.608 8.835 746 HE1 TYR 87 HE1 TYR 87 0.249 -4.567 7.760 747 HE2 TYR 87 HE2 TYR 87 -2.949 -6.460 9.843 748 HH TYR 87 HH TYR 87 -1.781 -3.508 8.740 749 H SER 88 HN SER 88 -1.819 -11.246 5.481 750 HA SER 88 HA SER 88 0.067 -13.246 5.158 751 HB2 SER 88 HB2 SER 88 -2.781 -13.188 4.167 752 HB3 SER 88 HB1 SER 88 -1.819 -14.626 4.508 753 HG SER 88 HG SER 88 -1.648 -13.451 6.712 754 H GLU 89 HN GLU 89 -1.799 -11.426 2.756 755 HA GLU 89 HA GLU 89 -0.950 -12.841 0.489 756 HB2 GLU 89 HB2 GLU 89 -2.910 -11.259 0.690 757 HB3 GLU 89 HB1 GLU 89 -1.759 -9.935 0.624 758 HG2 GLU 89 HG2 GLU 89 -2.729 -10.275 -1.544 759 HG3 GLU 89 HG1 GLU 89 -1.024 -10.728 -1.586 760 H ALA 90 HN ALA 90 0.177 -9.815 1.933 761 HA ALA 90 HA ALA 90 2.196 -9.255 0.097 762 HB1 ALA 90 HB1 ALA 90 2.037 -8.410 2.984 763 HB2 ALA 90 HB2 ALA 90 1.247 -7.596 1.635 764 HB3 ALA 90 HB3 ALA 90 3.008 -7.649 1.725 765 H VAL 91 HN VAL 91 2.424 -10.839 3.293 766 HA VAL 91 HA VAL 91 5.230 -11.090 3.113 767 HB VAL 91 HB VAL 91 4.028 -11.083 5.299 768 HG11 VAL 91 HG11 VAL 91 3.062 -13.147 6.195 769 HG12 VAL 91 HG12 VAL 91 3.216 -13.891 4.603 770 HG13 VAL 91 HG13 VAL 91 2.159 -12.498 4.825 771 HG21 VAL 91 HG21 VAL 91 6.339 -11.820 5.223 772 HG22 VAL 91 HG22 VAL 91 5.826 -13.467 4.855 773 HG23 VAL 91 HG23 VAL 91 5.446 -12.756 6.424 774 H LYS 92 HN LYS 92 2.648 -13.207 2.043 775 HA LYS 92 HA LYS 92 4.499 -15.359 1.622 776 HB2 LYS 92 HB2 LYS 92 1.626 -15.079 0.804 777 HB3 LYS 92 HB1 LYS 92 2.611 -16.468 0.387 778 HG2 LYS 92 HG2 LYS 92 1.820 -15.576 3.168 779 HG3 LYS 92 HG1 LYS 92 1.242 -16.992 2.295 780 HD2 LYS 92 HD2 LYS 92 2.825 -18.006 3.591 781 HD3 LYS 92 HD1 LYS 92 3.856 -17.535 2.242 782 HE2 LYS 92 HE2 LYS 92 4.352 -15.401 3.563 783 HE3 LYS 92 HE1 LYS 92 3.537 -16.181 4.908 784 HZ1 LYS 92 HZ1 LYS 92 5.846 -16.547 5.118 785 HZ2 LYS 92 HZ2 LYS 92 5.975 -17.083 3.523 786 HZ3 LYS 92 HZ3 LYS 92 5.164 -18.023 4.677 787 H ARG 93 HN ARG 93 3.724 -12.617 -0.188 788 HA ARG 93 HA ARG 93 4.571 -13.822 -2.673 789 HB2 ARG 93 HB2 ARG 93 3.133 -11.696 -2.453 790 HB3 ARG 93 HB1 ARG 93 4.630 -10.871 -2.033 791 HG2 ARG 93 HG2 ARG 93 5.538 -11.852 -4.234 792 HG3 ARG 93 HG1 ARG 93 3.844 -12.122 -4.638 793 HD2 ARG 93 HD2 ARG 93 4.476 -10.018 -5.557 794 HD3 ARG 93 HD1 ARG 93 3.446 -9.691 -4.159 795 HE ARG 93 HE ARG 93 6.108 -9.778 -3.333 796 HH11 ARG 93 HH11 ARG 93 4.059 -7.667 -5.335 797 HH12 ARG 93 HH12 ARG 93 4.945 -6.270 -4.973 798 HH21 ARG 93 HH21 ARG 93 7.317 -7.876 -2.860 799 HH22 ARG 93 HH22 ARG 93 6.870 -6.384 -3.520 800 H ILE 94 HN ILE 94 5.925 -12.123 -0.013 801 HA ILE 94 HA ILE 94 8.516 -11.729 -1.214 802 HB ILE 94 HB ILE 94 7.530 -11.199 1.611 803 HG12 ILE 94 HG12 ILE 94 7.870 -9.311 -0.724 804 HG13 ILE 94 HG11 ILE 94 6.335 -9.993 -0.214 805 HG21 ILE 94 HG21 ILE 94 10.004 -10.196 0.182 806 HG22 ILE 94 HG22 ILE 94 9.985 -11.376 1.494 807 HG23 ILE 94 HG23 ILE 94 9.475 -9.714 1.795 808 HD11 ILE 94 HD11 ILE 94 8.094 -8.188 1.420 809 HD12 ILE 94 HD12 ILE 94 6.532 -8.869 1.908 810 HD13 ILE 94 HD13 ILE 94 6.616 -7.732 0.561 811 H LEU 95 HN LEU 95 7.049 -13.926 1.129 812 HA LEU 95 HA LEU 95 9.440 -15.576 0.908 813 HB2 LEU 95 HB2 LEU 95 9.494 -14.406 3.085 814 HB3 LEU 95 HB1 LEU 95 7.898 -15.018 3.452 815 HG LEU 95 HG LEU 95 8.825 -17.330 3.392 816 HD11 LEU 95 HD11 LEU 95 11.251 -17.627 3.536 817 HD12 LEU 95 HD12 LEU 95 11.467 -15.912 3.183 818 HD13 LEU 95 HD13 LEU 95 10.739 -16.978 1.981 819 HD21 LEU 95 HD21 LEU 95 9.978 -17.169 5.563 820 HD22 LEU 95 HD22 LEU 95 8.506 -16.203 5.507 821 HD23 LEU 95 HD23 LEU 95 10.079 -15.420 5.360 Start of MODEL 3 1 H MET 1 H MET 1 11.844 13.772 -0.913 2 HA MET 1 HA MET 1 12.549 13.614 -3.753 3 HB2 MET 1 HB2 MET 1 14.193 12.508 -2.181 4 HB3 MET 1 HB1 MET 1 12.850 11.548 -1.572 5 HG2 MET 1 HG2 MET 1 12.542 10.587 -3.814 6 HG3 MET 1 HG1 MET 1 13.928 11.519 -4.381 7 HE1 MET 1 HE1 MET 1 15.395 7.916 -4.374 8 HE2 MET 1 HE2 MET 1 15.170 9.401 -5.296 9 HE3 MET 1 HE3 MET 1 13.774 8.426 -4.843 10 H ALA 2 HN ALA 2 11.078 12.481 -4.900 11 HA ALA 2 HA ALA 2 8.721 11.504 -3.448 12 HB1 ALA 2 HB1 ALA 2 7.376 12.030 -5.424 13 HB2 ALA 2 HB2 ALA 2 8.798 12.696 -6.232 14 HB3 ALA 2 HB3 ALA 2 8.145 13.484 -4.789 15 H TYR 3 HN TYR 3 7.597 9.768 -4.781 16 HA TYR 3 HA TYR 3 9.575 8.142 -6.207 17 HB2 TYR 3 HB2 TYR 3 7.779 7.188 -3.955 18 HB3 TYR 3 HB1 TYR 3 8.757 6.139 -4.971 19 HD1 TYR 3 HD2 TYR 3 8.870 8.767 -2.383 20 HD2 TYR 3 HD1 TYR 3 11.079 5.826 -4.508 21 HE1 TYR 3 HE2 TYR 3 10.733 9.061 -0.826 22 HE2 TYR 3 HE1 TYR 3 12.963 6.115 -2.945 23 HH TYR 3 HH TYR 3 13.798 7.953 -1.414 24 H PHE 4 HN PHE 4 8.472 6.343 -7.336 25 HA PHE 4 HA PHE 4 6.028 7.253 -8.564 26 HB2 PHE 4 HB2 PHE 4 7.652 4.726 -8.919 27 HB3 PHE 4 HB1 PHE 4 6.247 5.115 -9.892 28 HD1 PHE 4 HD2 PHE 4 6.372 7.329 -11.220 29 HD2 PHE 4 HD1 PHE 4 9.758 5.359 -9.567 30 HE1 PHE 4 HE2 PHE 4 7.831 8.528 -12.793 31 HE2 PHE 4 HE1 PHE 4 11.224 6.555 -11.134 32 HZ PHE 4 HZ PHE 4 10.258 8.140 -12.752 33 H LEU 5 HN LEU 5 4.089 5.886 -8.552 34 HA LEU 5 HA LEU 5 3.946 4.129 -6.193 35 HB2 LEU 5 HB2 LEU 5 2.807 6.426 -5.992 36 HB3 LEU 5 HB1 LEU 5 1.700 5.887 -7.228 37 HG LEU 5 HG LEU 5 0.689 5.777 -5.011 38 HD11 LEU 5 HD11 LEU 5 -0.155 4.154 -6.540 39 HD12 LEU 5 HD12 LEU 5 -0.041 3.432 -4.924 40 HD13 LEU 5 HD13 LEU 5 1.163 3.049 -6.146 41 HD21 LEU 5 HD21 LEU 5 2.893 3.857 -4.309 42 HD22 LEU 5 HD22 LEU 5 1.479 4.197 -3.316 43 HD23 LEU 5 HD23 LEU 5 2.647 5.474 -3.646 44 H ASP 6 HN ASP 6 3.422 2.090 -6.824 45 HA ASP 6 HA ASP 6 1.641 1.811 -9.100 46 HB2 ASP 6 HB2 ASP 6 4.176 1.632 -9.758 47 HB3 ASP 6 HB1 ASP 6 4.074 0.044 -9.000 48 H PHE 7 HN PHE 7 1.108 -0.693 -9.299 49 HA PHE 7 HA PHE 7 0.571 -1.638 -6.548 50 HB2 PHE 7 HB2 PHE 7 -1.413 -1.538 -8.830 51 HB3 PHE 7 HB1 PHE 7 -1.711 -2.234 -7.253 52 HD1 PHE 7 HD2 PHE 7 -1.142 0.930 -9.084 53 HD2 PHE 7 HD1 PHE 7 -2.504 -0.881 -5.485 54 HE1 PHE 7 HE2 PHE 7 -2.119 3.072 -8.383 55 HE2 PHE 7 HE1 PHE 7 -3.492 1.257 -4.780 56 HZ PHE 7 HZ PHE 7 -3.297 3.238 -6.228 57 H ASP 8 HN ASP 8 0.560 -3.913 -6.372 58 HA ASP 8 HA ASP 8 1.529 -5.532 -8.491 59 HB2 ASP 8 HB2 ASP 8 1.644 -6.258 -6.089 60 HB3 ASP 8 HB1 ASP 8 -0.109 -6.388 -6.063 61 H GLU 9 HN GLU 9 0.271 -7.136 -9.720 62 HA GLU 9 HA GLU 9 -2.008 -5.941 -10.811 63 HB2 GLU 9 HB2 GLU 9 -2.200 -7.908 -12.241 64 HB3 GLU 9 HB1 GLU 9 -0.535 -7.378 -12.131 65 HG2 GLU 9 HG2 GLU 9 -0.086 -9.546 -11.821 66 HG3 GLU 9 HG1 GLU 9 -0.657 -9.274 -10.172 67 H ARG 10 HN ARG 10 -1.688 -8.348 -8.272 68 HA ARG 10 HA ARG 10 -4.492 -8.888 -8.169 69 HB2 ARG 10 HB2 ARG 10 -2.274 -9.403 -6.231 70 HB3 ARG 10 HB1 ARG 10 -3.945 -9.756 -5.835 71 HG2 ARG 10 HG2 ARG 10 -4.034 -11.229 -7.826 72 HG3 ARG 10 HG1 ARG 10 -2.304 -10.943 -8.047 73 HD2 ARG 10 HD2 ARG 10 -2.663 -13.018 -6.822 74 HD3 ARG 10 HD1 ARG 10 -1.898 -11.783 -5.805 75 HE ARG 10 HE ARG 10 -4.789 -12.028 -5.689 76 HH11 ARG 10 HH11 ARG 10 -1.698 -12.786 -4.174 77 HH12 ARG 10 HH12 ARG 10 -2.329 -12.866 -2.591 78 HH21 ARG 10 HH21 ARG 10 -5.672 -12.207 -3.487 79 HH22 ARG 10 HH22 ARG 10 -4.593 -12.534 -2.197 80 H ALA 11 HN ALA 11 -2.370 -6.611 -6.707 81 HA ALA 11 HA ALA 11 -4.200 -5.583 -4.829 82 HB1 ALA 11 HB1 ALA 11 -1.887 -4.156 -6.162 83 HB2 ALA 11 HB2 ALA 11 -1.795 -5.101 -4.677 84 HB3 ALA 11 HB3 ALA 11 -2.733 -3.612 -4.716 85 H LEU 12 HN LEU 12 -3.667 -4.906 -8.260 86 HA LEU 12 HA LEU 12 -5.345 -2.635 -8.425 87 HB2 LEU 12 HB2 LEU 12 -4.392 -4.626 -10.448 88 HB3 LEU 12 HB1 LEU 12 -5.512 -3.354 -10.870 89 HG LEU 12 HG LEU 12 -2.738 -2.911 -9.771 90 HD11 LEU 12 HD11 LEU 12 -2.681 -3.896 -12.003 91 HD12 LEU 12 HD12 LEU 12 -2.217 -2.193 -12.071 92 HD13 LEU 12 HD13 LEU 12 -3.830 -2.690 -12.576 93 HD21 LEU 12 HD21 LEU 12 -3.130 -0.580 -10.457 94 HD22 LEU 12 HD22 LEU 12 -4.294 -1.081 -9.237 95 HD23 LEU 12 HD23 LEU 12 -4.776 -0.992 -10.926 96 H LYS 13 HN LYS 13 -5.872 -6.048 -8.930 97 HA LYS 13 HA LYS 13 -8.532 -5.970 -9.775 98 HB2 LYS 13 HB2 LYS 13 -7.053 -8.055 -8.176 99 HB3 LYS 13 HB1 LYS 13 -8.637 -8.297 -8.899 100 HG2 LYS 13 HG2 LYS 13 -7.771 -8.190 -11.085 101 HG3 LYS 13 HG1 LYS 13 -6.230 -7.534 -10.518 102 HD2 LYS 13 HD2 LYS 13 -5.719 -9.591 -9.396 103 HD3 LYS 13 HD1 LYS 13 -7.291 -10.268 -9.835 104 HE2 LYS 13 HE2 LYS 13 -6.678 -10.282 -12.156 105 HE3 LYS 13 HE1 LYS 13 -5.195 -9.392 -11.806 106 HZ1 LYS 13 HZ1 LYS 13 -5.724 -12.090 -10.666 107 HZ2 LYS 13 HZ2 LYS 13 -4.251 -11.236 -10.752 108 HZ3 LYS 13 HZ3 LYS 13 -4.936 -11.851 -12.132 109 H GLU 14 HN GLU 14 -7.164 -6.254 -6.471 110 HA GLU 14 HA GLU 14 -9.644 -6.214 -5.207 111 HB2 GLU 14 HB2 GLU 14 -6.880 -5.658 -4.205 112 HB3 GLU 14 HB1 GLU 14 -8.303 -5.721 -3.165 113 HG2 GLU 14 HG2 GLU 14 -7.387 -7.917 -4.964 114 HG3 GLU 14 HG1 GLU 14 -7.035 -7.845 -3.248 115 H TRP 15 HN TRP 15 -7.404 -3.669 -6.071 116 HA TRP 15 HA TRP 15 -8.539 -1.529 -4.669 117 HB2 TRP 15 HB2 TRP 15 -6.342 -1.456 -5.745 118 HB3 TRP 15 HB1 TRP 15 -7.079 -1.636 -7.322 119 HD1 TRP 15 HD1 TRP 15 -7.869 0.506 -8.521 120 HE1 TRP 15 HE1 TRP 15 -7.699 3.015 -8.002 121 HE3 TRP 15 HE3 TRP 15 -6.367 0.196 -3.666 122 HZ2 TRP 15 HZ2 TRP 15 -6.988 4.650 -5.811 123 HZ3 TRP 15 HZ3 TRP 15 -5.952 2.278 -2.426 124 HH2 TRP 15 HH2 TRP 15 -6.252 4.451 -3.473 125 H ARG 16 HN ARG 16 -9.225 -2.809 -7.877 126 HA ARG 16 HA ARG 16 -11.332 -0.962 -8.417 127 HB2 ARG 16 HB2 ARG 16 -10.543 -3.550 -9.747 128 HB3 ARG 16 HB1 ARG 16 -11.814 -2.484 -10.341 129 HG2 ARG 16 HG2 ARG 16 -10.223 -0.695 -10.656 130 HG3 ARG 16 HG1 ARG 16 -8.942 -1.677 -9.953 131 HD2 ARG 16 HD2 ARG 16 -9.093 -3.244 -11.781 132 HD3 ARG 16 HD1 ARG 16 -10.458 -2.359 -12.467 133 HE ARG 16 HE ARG 16 -8.425 -0.542 -12.201 134 HH11 ARG 16 HH11 ARG 16 -8.700 -3.630 -13.882 135 HH12 ARG 16 HH12 ARG 16 -7.828 -3.128 -15.252 136 HH21 ARG 16 HH21 ARG 16 -7.177 0.137 -14.083 137 HH22 ARG 16 HH22 ARG 16 -6.946 -0.976 -15.368 138 H LYS 17 HN LYS 17 -11.105 -3.945 -6.818 139 HA LYS 17 HA LYS 17 -13.900 -4.586 -6.795 140 HB2 LYS 17 HB2 LYS 17 -12.570 -6.480 -6.695 141 HB3 LYS 17 HB1 LYS 17 -11.376 -5.703 -5.701 142 HG2 LYS 17 HG2 LYS 17 -14.030 -6.543 -4.573 143 HG3 LYS 17 HG1 LYS 17 -12.702 -7.686 -4.763 144 HD2 LYS 17 HD2 LYS 17 -11.270 -6.180 -3.397 145 HD3 LYS 17 HD1 LYS 17 -12.672 -5.140 -3.140 146 HE2 LYS 17 HE2 LYS 17 -12.343 -6.584 -1.232 147 HE3 LYS 17 HE1 LYS 17 -13.831 -7.017 -2.071 148 HZ1 LYS 17 HZ1 LYS 17 -12.711 -8.876 -3.083 149 HZ2 LYS 17 HZ2 LYS 17 -12.564 -8.957 -1.424 150 HZ3 LYS 17 HZ3 LYS 17 -11.232 -8.452 -2.362 151 H LEU 18 HN LEU 18 -11.720 -2.824 -4.770 152 HA LEU 18 HA LEU 18 -13.252 -2.561 -2.435 153 HB2 LEU 18 HB2 LEU 18 -10.926 -1.268 -3.617 154 HB3 LEU 18 HB1 LEU 18 -11.904 -0.166 -2.689 155 HG LEU 18 HG LEU 18 -11.621 -1.587 -0.691 156 HD11 LEU 18 HD11 LEU 18 -9.828 -3.257 -2.424 157 HD12 LEU 18 HD12 LEU 18 -11.386 -3.747 -1.750 158 HD13 LEU 18 HD13 LEU 18 -10.027 -3.404 -0.677 159 HD21 LEU 18 HD21 LEU 18 -9.268 -1.111 -0.335 160 HD22 LEU 18 HD22 LEU 18 -10.110 0.230 -1.116 161 HD23 LEU 18 HD23 LEU 18 -9.068 -0.827 -2.067 162 H GLY 19 HN GLY 19 -14.286 -0.627 -1.681 163 HA2 GLY 19 HA2 GLY 19 -16.260 0.279 -3.529 164 HA3 GLY 19 HA1 GLY 19 -16.093 0.755 -1.836 165 H SER 20 HN SER 20 -16.548 2.326 -4.291 166 HA SER 20 HA SER 20 -14.399 3.698 -5.284 167 HB2 SER 20 HB2 SER 20 -17.123 4.808 -4.642 168 HB3 SER 20 HB1 SER 20 -16.025 5.369 -5.901 169 HG SER 20 HG SER 20 -17.492 4.082 -6.830 170 H THR 21 HN THR 21 -16.338 4.416 -2.453 171 HA THR 21 HA THR 21 -15.243 6.865 -1.687 172 HB THR 21 HB THR 21 -16.353 4.768 0.152 173 HG1 THR 21 HG1 THR 21 -17.991 6.591 -1.259 174 HG21 THR 21 HG21 THR 21 -17.348 6.710 1.291 175 HG22 THR 21 HG22 THR 21 -16.643 7.780 0.083 176 HG23 THR 21 HG23 THR 21 -15.595 6.878 1.181 177 H VAL 22 HN VAL 22 -14.514 3.524 -0.756 178 HA VAL 22 HA VAL 22 -12.692 4.155 1.311 179 HB VAL 22 HB VAL 22 -13.115 1.577 -0.231 180 HG11 VAL 22 HG11 VAL 22 -11.585 2.029 2.333 181 HG12 VAL 22 HG12 VAL 22 -10.883 1.608 0.772 182 HG13 VAL 22 HG13 VAL 22 -11.931 0.461 1.605 183 HG21 VAL 22 HG21 VAL 22 -15.071 2.274 1.013 184 HG22 VAL 22 HG22 VAL 22 -14.095 2.503 2.463 185 HG23 VAL 22 HG23 VAL 22 -14.328 0.885 1.813 186 H ARG 23 HN ARG 23 -12.274 3.113 -2.033 187 HA ARG 23 HA ARG 23 -9.465 3.207 -1.854 188 HB2 ARG 23 HB2 ARG 23 -9.426 3.108 -4.327 189 HB3 ARG 23 HB1 ARG 23 -10.348 1.829 -3.559 190 HG2 ARG 23 HG2 ARG 23 -12.348 2.692 -4.222 191 HG3 ARG 23 HG1 ARG 23 -11.732 4.279 -4.629 192 HD2 ARG 23 HD2 ARG 23 -10.371 3.217 -6.382 193 HD3 ARG 23 HD1 ARG 23 -11.098 1.656 -5.994 194 HE ARG 23 HE ARG 23 -12.569 3.989 -7.008 195 HH11 ARG 23 HH11 ARG 23 -12.155 0.440 -6.807 196 HH12 ARG 23 HH12 ARG 23 -13.359 0.121 -7.974 197 HH21 ARG 23 HH21 ARG 23 -14.236 3.482 -8.613 198 HH22 ARG 23 HH22 ARG 23 -14.548 1.865 -8.999 199 H GLU 24 HN GLU 24 -11.834 5.664 -2.761 200 HA GLU 24 HA GLU 24 -9.968 7.460 -3.737 201 HB2 GLU 24 HB2 GLU 24 -12.672 7.855 -2.545 202 HB3 GLU 24 HB1 GLU 24 -11.679 9.259 -2.952 203 HG2 GLU 24 HG2 GLU 24 -11.505 8.379 -5.267 204 HG3 GLU 24 HG1 GLU 24 -12.623 7.094 -4.814 205 H GLN 25 HN GLN 25 -10.920 6.836 -0.395 206 HA GLN 25 HA GLN 25 -9.334 8.983 0.558 207 HB2 GLN 25 HB2 GLN 25 -10.607 6.640 1.886 208 HB3 GLN 25 HB1 GLN 25 -9.331 7.506 2.737 209 HG2 GLN 25 HG2 GLN 25 -11.458 8.322 3.444 210 HG3 GLN 25 HG1 GLN 25 -10.631 9.573 2.535 211 HE21 GLN 25 HE21 GLN 25 -13.318 7.453 2.704 212 HE22 GLN 25 HE22 GLN 25 -14.185 8.097 1.364 213 H LEU 26 HN LEU 26 -8.719 5.615 -0.047 214 HA LEU 26 HA LEU 26 -6.161 5.505 1.088 215 HB2 LEU 26 HB2 LEU 26 -7.334 3.917 -1.175 216 HB3 LEU 26 HB1 LEU 26 -5.819 3.539 -0.393 217 HG LEU 26 HG LEU 26 -8.595 3.410 0.835 218 HD11 LEU 26 HD11 LEU 26 -8.089 1.586 -0.639 219 HD12 LEU 26 HD12 LEU 26 -8.144 1.054 1.041 220 HD13 LEU 26 HD13 LEU 26 -6.591 1.271 0.234 221 HD21 LEU 26 HD21 LEU 26 -7.014 4.206 2.528 222 HD22 LEU 26 HD22 LEU 26 -5.915 2.884 2.131 223 HD23 LEU 26 HD23 LEU 26 -7.486 2.539 2.851 224 H LYS 27 HN LYS 27 -7.173 6.251 -2.230 225 HA LYS 27 HA LYS 27 -4.568 6.513 -3.265 226 HB2 LYS 27 HB2 LYS 27 -5.518 7.410 -5.223 227 HB3 LYS 27 HB1 LYS 27 -6.718 6.366 -4.453 228 HG2 LYS 27 HG2 LYS 27 -8.071 8.062 -3.775 229 HG3 LYS 27 HG1 LYS 27 -6.804 9.267 -3.947 230 HD2 LYS 27 HD2 LYS 27 -8.061 7.800 -6.263 231 HD3 LYS 27 HD1 LYS 27 -8.547 9.412 -5.722 232 HE2 LYS 27 HE2 LYS 27 -6.227 10.182 -6.069 233 HE3 LYS 27 HE1 LYS 27 -5.800 8.613 -6.690 234 HZ1 LYS 27 HZ1 LYS 27 -7.420 8.883 -8.465 235 HZ2 LYS 27 HZ2 LYS 27 -6.269 10.102 -8.509 236 HZ3 LYS 27 HZ3 LYS 27 -7.815 10.422 -7.920 237 H LYS 28 HN LYS 28 -6.617 8.780 -1.702 238 HA LYS 28 HA LYS 28 -5.137 11.185 -2.017 239 HB2 LYS 28 HB2 LYS 28 -6.601 10.306 0.484 240 HB3 LYS 28 HB1 LYS 28 -6.059 11.938 0.139 241 HG2 LYS 28 HG2 LYS 28 -7.598 12.145 -1.630 242 HG3 LYS 28 HG1 LYS 28 -8.029 10.433 -1.529 243 HD2 LYS 28 HD2 LYS 28 -8.764 10.887 0.857 244 HD3 LYS 28 HD1 LYS 28 -8.563 12.595 0.502 245 HE2 LYS 28 HE2 LYS 28 -10.343 10.730 -1.035 246 HE3 LYS 28 HE1 LYS 28 -10.899 11.788 0.261 247 HZ1 LYS 28 HZ1 LYS 28 -9.629 12.663 -2.267 248 HZ2 LYS 28 HZ2 LYS 28 -10.217 13.687 -1.056 249 HZ3 LYS 28 HZ3 LYS 28 -11.277 12.726 -1.947 250 H LYS 29 HN LYS 29 -4.895 8.610 0.284 251 HA LYS 29 HA LYS 29 -2.749 9.765 1.743 252 HB2 LYS 29 HB2 LYS 29 -4.004 7.075 1.800 253 HB3 LYS 29 HB1 LYS 29 -2.400 7.264 2.491 254 HG2 LYS 29 HG2 LYS 29 -4.044 7.475 4.234 255 HG3 LYS 29 HG1 LYS 29 -3.274 9.032 3.964 256 HD2 LYS 29 HD2 LYS 29 -5.216 9.737 2.640 257 HD3 LYS 29 HD1 LYS 29 -5.981 8.180 2.958 258 HE2 LYS 29 HE2 LYS 29 -6.847 9.806 4.514 259 HE3 LYS 29 HE1 LYS 29 -5.844 8.635 5.362 260 HZ1 LYS 29 HZ1 LYS 29 -4.034 10.197 5.394 261 HZ2 LYS 29 HZ2 LYS 29 -5.385 10.921 6.077 262 HZ3 LYS 29 HZ3 LYS 29 -4.908 11.311 4.499 263 H LEU 30 HN LEU 30 -2.891 7.647 -0.962 264 HA LEU 30 HA LEU 30 -0.193 6.885 -1.048 265 HB2 LEU 30 HB2 LEU 30 -2.041 7.403 -3.374 266 HB3 LEU 30 HB1 LEU 30 -0.547 6.490 -3.434 267 HG LEU 30 HG LEU 30 -3.063 5.710 -1.967 268 HD11 LEU 30 HD11 LEU 30 -1.759 4.554 -4.419 269 HD12 LEU 30 HD12 LEU 30 -3.240 5.499 -4.386 270 HD13 LEU 30 HD13 LEU 30 -3.185 3.915 -3.608 271 HD21 LEU 30 HD21 LEU 30 -1.904 3.587 -1.549 272 HD22 LEU 30 HD22 LEU 30 -1.122 4.962 -0.769 273 HD23 LEU 30 HD23 LEU 30 -0.425 4.275 -2.237 274 H VAL 31 HN VAL 31 -1.871 9.668 -2.488 275 HA VAL 31 HA VAL 31 0.499 10.582 -3.736 276 HB VAL 31 HB VAL 31 -1.759 11.100 -4.656 277 HG11 VAL 31 HG11 VAL 31 -3.069 12.966 -3.826 278 HG12 VAL 31 HG12 VAL 31 -2.009 13.071 -2.419 279 HG13 VAL 31 HG13 VAL 31 -2.989 11.628 -2.679 280 HG21 VAL 31 HG21 VAL 31 -1.283 13.389 -5.373 281 HG22 VAL 31 HG22 VAL 31 0.141 12.350 -5.450 282 HG23 VAL 31 HG23 VAL 31 -0.035 13.508 -4.132 283 H GLU 32 HN GLU 32 -1.108 11.533 -0.713 284 HA GLU 32 HA GLU 32 0.758 13.583 -0.187 285 HB2 GLU 32 HB2 GLU 32 -0.144 13.533 2.171 286 HB3 GLU 32 HB1 GLU 32 -1.357 13.707 0.913 287 HG2 GLU 32 HG2 GLU 32 -1.861 11.343 1.081 288 HG3 GLU 32 HG1 GLU 32 -0.715 11.182 2.410 289 H VAL 33 HN VAL 33 0.737 10.158 0.729 290 HA VAL 33 HA VAL 33 2.898 10.430 2.503 291 HB VAL 33 HB VAL 33 1.230 8.500 2.463 292 HG11 VAL 33 HG11 VAL 33 1.407 7.807 0.168 293 HG12 VAL 33 HG12 VAL 33 1.854 6.477 1.239 294 HG13 VAL 33 HG13 VAL 33 3.106 7.388 0.392 295 HG21 VAL 33 HG21 VAL 33 4.154 7.888 2.761 296 HG22 VAL 33 HG22 VAL 33 2.841 6.922 3.435 297 HG23 VAL 33 HG23 VAL 33 3.101 8.575 3.998 298 H LEU 34 HN LEU 34 2.799 9.968 -0.920 299 HA LEU 34 HA LEU 34 5.310 8.945 -1.462 300 HB2 LEU 34 HB2 LEU 34 3.616 10.858 -3.006 301 HB3 LEU 34 HB1 LEU 34 5.159 10.299 -3.608 302 HG LEU 34 HG LEU 34 2.814 8.507 -2.957 303 HD11 LEU 34 HD11 LEU 34 2.397 10.013 -4.860 304 HD12 LEU 34 HD12 LEU 34 2.552 8.337 -5.368 305 HD13 LEU 34 HD13 LEU 34 3.895 9.461 -5.600 306 HD21 LEU 34 HD21 LEU 34 4.144 6.836 -4.207 307 HD22 LEU 34 HD22 LEU 34 4.949 7.367 -2.736 308 HD23 LEU 34 HD23 LEU 34 5.467 7.997 -4.300 309 H GLU 35 HN GLU 35 4.583 12.197 -0.348 310 HA GLU 35 HA GLU 35 7.077 13.188 -1.395 311 HB2 GLU 35 HB2 GLU 35 6.575 15.278 -0.310 312 HB3 GLU 35 HB1 GLU 35 5.142 14.689 -1.131 313 HG2 GLU 35 HG2 GLU 35 4.179 13.973 0.949 314 HG3 GLU 35 HG1 GLU 35 5.661 14.386 1.812 315 H SER 36 HN SER 36 6.135 11.507 1.400 316 HA SER 36 HA SER 36 8.807 11.516 2.453 317 HB2 SER 36 HB2 SER 36 6.543 12.655 4.115 318 HB3 SER 36 HB1 SER 36 8.158 12.286 4.711 319 HG SER 36 HG SER 36 8.402 13.775 2.554 320 HA PRO 37 HA PRO 37 6.084 7.779 3.055 321 HB2 PRO 37 HB2 PRO 37 7.469 5.962 1.662 322 HB3 PRO 37 HB1 PRO 37 6.348 7.082 0.880 323 HG2 PRO 37 HG2 PRO 37 9.328 7.261 1.121 324 HG3 PRO 37 HG1 PRO 37 8.307 7.527 -0.305 325 HD2 PRO 37 HD2 PRO 37 9.260 9.583 1.190 326 HD3 PRO 37 HD1 PRO 37 7.675 9.633 0.373 327 H ARG 38 HN ARG 38 9.090 8.666 4.029 328 HA ARG 38 HA ARG 38 9.984 6.209 5.216 329 HB2 ARG 38 HB2 ARG 38 11.646 7.780 6.391 330 HB3 ARG 38 HB1 ARG 38 11.774 7.552 4.660 331 HG2 ARG 38 HG2 ARG 38 12.158 9.887 5.334 332 HG3 ARG 38 HG1 ARG 38 10.791 9.722 4.262 333 HD2 ARG 38 HD2 ARG 38 10.446 11.353 6.114 334 HD3 ARG 38 HD1 ARG 38 9.239 10.080 6.050 335 HE ARG 38 HE ARG 38 10.717 9.038 7.892 336 HH11 ARG 38 HH11 ARG 38 10.454 12.554 7.515 337 HH12 ARG 38 HH12 ARG 38 10.300 12.845 9.186 338 HH21 ARG 38 HH21 ARG 38 10.401 9.438 10.178 339 HH22 ARG 38 HH22 ARG 38 10.261 11.040 10.727 340 H ILE 39 HN ILE 39 7.364 7.121 6.118 341 HA ILE 39 HA ILE 39 7.769 8.171 8.781 342 HB ILE 39 HB ILE 39 5.217 7.425 7.304 343 HG12 ILE 39 HG12 ILE 39 6.419 10.097 7.993 344 HG13 ILE 39 HG11 ILE 39 6.578 9.324 6.426 345 HG21 ILE 39 HG21 ILE 39 4.013 8.595 9.082 346 HG22 ILE 39 HG22 ILE 39 5.520 8.906 9.934 347 HG23 ILE 39 HG23 ILE 39 4.930 7.250 9.767 348 HD11 ILE 39 HD11 ILE 39 4.017 10.312 7.691 349 HD12 ILE 39 HD12 ILE 39 4.136 9.441 6.154 350 HD13 ILE 39 HD13 ILE 39 4.900 11.015 6.325 351 H GLU 40 HN GLU 40 8.631 6.792 10.099 352 HA GLU 40 HA GLU 40 8.386 4.028 10.011 353 HB2 GLU 40 HB2 GLU 40 9.399 4.065 12.332 354 HB3 GLU 40 HB1 GLU 40 10.324 4.814 11.045 355 HG2 GLU 40 HG2 GLU 40 8.547 6.510 12.713 356 HG3 GLU 40 HG1 GLU 40 10.081 5.966 13.400 357 H ALA 41 HN ALA 41 6.247 6.276 11.405 358 HA ALA 41 HA ALA 41 5.068 4.592 13.363 359 HB1 ALA 41 HB1 ALA 41 4.754 7.022 13.351 360 HB2 ALA 41 HB2 ALA 41 3.209 6.171 13.340 361 HB3 ALA 41 HB3 ALA 41 3.826 6.894 11.857 362 H ASN 42 HN ASN 42 4.842 4.712 9.945 363 HA ASN 42 HA ASN 42 2.398 3.068 9.910 364 HB2 ASN 42 HB2 ASN 42 3.822 4.536 7.677 365 HB3 ASN 42 HB1 ASN 42 2.389 3.544 7.470 366 HD21 ASN 42 HD21 ASN 42 2.879 6.385 6.934 367 HD22 ASN 42 HD22 ASN 42 1.673 7.232 7.836 368 H LYS 43 HN LYS 43 5.675 2.604 10.100 369 HA LYS 43 HA LYS 43 6.041 0.900 7.901 370 HB2 LYS 43 HB2 LYS 43 7.583 2.604 8.823 371 HB3 LYS 43 HB1 LYS 43 7.802 1.547 10.218 372 HG2 LYS 43 HG2 LYS 43 8.759 -0.088 8.945 373 HG3 LYS 43 HG1 LYS 43 8.227 0.710 7.438 374 HD2 LYS 43 HD2 LYS 43 9.672 2.680 8.103 375 HD3 LYS 43 HD1 LYS 43 10.357 1.664 9.370 376 HE2 LYS 43 HE2 LYS 43 11.338 0.203 7.792 377 HE3 LYS 43 HE1 LYS 43 10.367 0.873 6.479 378 HZ1 LYS 43 HZ1 LYS 43 11.554 2.986 6.808 379 HZ2 LYS 43 HZ2 LYS 43 12.501 1.748 6.236 380 HZ3 LYS 43 HZ3 LYS 43 12.627 2.213 7.877 381 H LEU 44 HN LEU 44 6.234 -1.189 7.969 382 HA LEU 44 HA LEU 44 5.293 -2.646 10.311 383 HB2 LEU 44 HB2 LEU 44 5.941 -3.594 7.529 384 HB3 LEU 44 HB1 LEU 44 5.230 -4.579 8.792 385 HG LEU 44 HG LEU 44 3.946 -2.237 7.384 386 HD11 LEU 44 HD11 LEU 44 2.445 -3.941 6.493 387 HD12 LEU 44 HD12 LEU 44 3.385 -5.194 7.303 388 HD13 LEU 44 HD13 LEU 44 4.117 -4.238 6.014 389 HD21 LEU 44 HD21 LEU 44 3.184 -2.347 9.692 390 HD22 LEU 44 HD22 LEU 44 2.850 -4.073 9.505 391 HD23 LEU 44 HD23 LEU 44 1.926 -2.890 8.576 392 H ARG 45 HN ARG 45 6.642 -3.672 11.580 393 HA ARG 45 HA ARG 45 9.482 -3.541 10.999 394 HB2 ARG 45 HB2 ARG 45 8.658 -2.775 13.168 395 HB3 ARG 45 HB1 ARG 45 7.989 -4.367 13.488 396 HG2 ARG 45 HG2 ARG 45 10.195 -5.319 13.619 397 HG3 ARG 45 HG1 ARG 45 10.923 -3.791 13.116 398 HD2 ARG 45 HD2 ARG 45 9.301 -4.216 15.621 399 HD3 ARG 45 HD1 ARG 45 11.060 -4.118 15.548 400 HE ARG 45 HE ARG 45 10.632 -1.844 14.533 401 HH11 ARG 45 HH11 ARG 45 8.413 -3.245 16.953 402 HH12 ARG 45 HH12 ARG 45 7.960 -1.723 17.566 403 HH21 ARG 45 HH21 ARG 45 9.957 0.222 15.400 404 HH22 ARG 45 HH22 ARG 45 8.828 0.288 16.658 405 H GLY 46 HN GLY 46 10.521 -5.190 10.141 406 HA2 GLY 46 HA2 GLY 46 11.187 -7.506 10.165 407 HA3 GLY 46 HA1 GLY 46 9.551 -7.929 10.663 408 H MET 47 HN MET 47 9.200 -5.583 8.538 409 HA MET 47 HA MET 47 8.940 -7.361 6.208 410 HB2 MET 47 HB2 MET 47 7.329 -4.951 7.046 411 HB3 MET 47 HB1 MET 47 7.072 -5.826 5.545 412 HG2 MET 47 HG2 MET 47 6.810 -7.061 8.287 413 HG3 MET 47 HG1 MET 47 5.465 -6.343 7.408 414 HE1 MET 47 HE1 MET 47 4.837 -8.703 4.483 415 HE2 MET 47 HE2 MET 47 5.645 -7.140 4.492 416 HE3 MET 47 HE3 MET 47 4.214 -7.400 5.489 417 HA PRO 48 HA PRO 48 12.107 -4.638 4.684 418 HB2 PRO 48 HB2 PRO 48 11.806 -5.070 1.989 419 HB3 PRO 48 HB1 PRO 48 12.658 -6.166 3.079 420 HG2 PRO 48 HG2 PRO 48 9.867 -6.326 2.032 421 HG3 PRO 48 HG1 PRO 48 11.050 -7.628 2.260 422 HD2 PRO 48 HD2 PRO 48 9.015 -7.210 3.987 423 HD3 PRO 48 HD1 PRO 48 10.598 -7.810 4.517 424 H ASP 49 HN ASP 49 11.277 -2.722 5.275 425 HA ASP 49 HA ASP 49 10.268 -0.719 5.201 426 HB2 ASP 49 HB2 ASP 49 11.733 -0.891 2.607 427 HB3 ASP 49 HB1 ASP 49 10.780 0.548 2.970 428 H CYS 50 HN CYS 50 8.387 -2.304 5.178 429 HA CYS 50 HA CYS 50 6.547 -1.479 3.082 430 HB2 CYS 50 HB2 CYS 50 6.208 -3.529 5.273 431 HB3 CYS 50 HB1 CYS 50 5.113 -3.251 3.923 432 HG CYS 50 HG CYS 50 8.180 -3.879 2.840 433 H TYR 51 HN TYR 51 4.732 -0.340 3.587 434 HA TYR 51 HA TYR 51 4.424 0.630 6.334 435 HB2 TYR 51 HB2 TYR 51 4.334 2.368 3.842 436 HB3 TYR 51 HB1 TYR 51 4.014 2.906 5.478 437 HD1 TYR 51 HD2 TYR 51 6.671 1.664 3.216 438 HD2 TYR 51 HD1 TYR 51 5.808 3.612 6.886 439 HE1 TYR 51 HE2 TYR 51 9.040 2.257 3.446 440 HE2 TYR 51 HE1 TYR 51 8.181 4.217 7.120 441 HH TYR 51 HH TYR 51 10.408 3.898 4.555 442 H LYS 52 HN LYS 52 2.261 1.366 6.727 443 HA LYS 52 HA LYS 52 0.338 0.306 4.792 444 HB2 LYS 52 HB2 LYS 52 -1.063 -0.426 6.721 445 HB3 LYS 52 HB1 LYS 52 0.441 -1.318 6.517 446 HG2 LYS 52 HG2 LYS 52 1.460 -0.117 8.333 447 HG3 LYS 52 HG1 LYS 52 0.046 0.929 8.482 448 HD2 LYS 52 HD2 LYS 52 -1.308 -0.892 9.214 449 HD3 LYS 52 HD1 LYS 52 -0.041 -2.066 8.846 450 HE2 LYS 52 HE2 LYS 52 1.378 -1.087 10.566 451 HE3 LYS 52 HE1 LYS 52 0.149 0.128 10.904 452 HZ1 LYS 52 HZ1 LYS 52 -0.390 -2.773 11.167 453 HZ2 LYS 52 HZ2 LYS 52 -1.273 -1.488 11.802 454 HZ3 LYS 52 HZ3 LYS 52 0.233 -1.861 12.430 455 H ILE 53 HN ILE 53 -1.538 1.266 4.593 456 HA ILE 53 HA ILE 53 -1.965 3.870 5.890 457 HB ILE 53 HB ILE 53 -3.134 2.746 3.321 458 HG12 ILE 53 HG12 ILE 53 -1.137 4.973 3.727 459 HG13 ILE 53 HG11 ILE 53 -0.767 3.342 3.170 460 HG21 ILE 53 HG21 ILE 53 -3.487 5.476 4.568 461 HG22 ILE 53 HG22 ILE 53 -4.721 4.230 4.435 462 HG23 ILE 53 HG23 ILE 53 -4.082 4.996 2.977 463 HD11 ILE 53 HD11 ILE 53 -2.063 3.703 1.170 464 HD12 ILE 53 HD12 ILE 53 -0.870 4.998 1.345 465 HD13 ILE 53 HD13 ILE 53 -2.559 5.288 1.748 466 H LYS 54 HN LYS 54 -3.952 4.169 6.936 467 HA LYS 54 HA LYS 54 -5.725 1.900 6.929 468 HB2 LYS 54 HB2 LYS 54 -5.941 1.873 9.357 469 HB3 LYS 54 HB1 LYS 54 -4.298 1.527 8.873 470 HG2 LYS 54 HG2 LYS 54 -5.168 4.262 9.744 471 HG3 LYS 54 HG1 LYS 54 -4.644 3.040 10.889 472 HD2 LYS 54 HD2 LYS 54 -2.458 2.956 9.829 473 HD3 LYS 54 HD1 LYS 54 -2.992 4.108 8.597 474 HE2 LYS 54 HE2 LYS 54 -3.428 5.730 10.260 475 HE3 LYS 54 HE1 LYS 54 -2.960 4.616 11.547 476 HZ1 LYS 54 HZ1 LYS 54 -1.125 5.723 9.442 477 HZ2 LYS 54 HZ2 LYS 54 -0.661 4.666 10.672 478 HZ3 LYS 54 HZ3 LYS 54 -1.195 6.187 11.046 479 H LEU 55 HN LEU 55 -7.841 2.435 7.047 480 HA LEU 55 HA LEU 55 -8.449 5.231 6.919 481 HB2 LEU 55 HB2 LEU 55 -10.035 2.743 6.567 482 HB3 LEU 55 HB1 LEU 55 -10.885 4.218 6.957 483 HG LEU 55 HG LEU 55 -9.174 3.746 4.492 484 HD11 LEU 55 HD11 LEU 55 -11.353 2.659 4.405 485 HD12 LEU 55 HD12 LEU 55 -11.295 4.082 3.339 486 HD13 LEU 55 HD13 LEU 55 -12.115 4.176 4.892 487 HD21 LEU 55 HD21 LEU 55 -8.919 6.018 5.224 488 HD22 LEU 55 HD22 LEU 55 -10.659 6.122 5.495 489 HD23 LEU 55 HD23 LEU 55 -10.034 5.949 3.850 490 H ARG 56 HN ARG 56 -10.175 6.201 8.212 491 HA ARG 56 HA ARG 56 -9.772 5.402 10.998 492 HB2 ARG 56 HB2 ARG 56 -11.068 7.931 9.956 493 HB3 ARG 56 HB1 ARG 56 -10.560 7.602 11.596 494 HG2 ARG 56 HG2 ARG 56 -8.767 8.032 9.214 495 HG3 ARG 56 HG1 ARG 56 -9.041 9.148 10.546 496 HD2 ARG 56 HD2 ARG 56 -8.107 7.357 12.066 497 HD3 ARG 56 HD1 ARG 56 -7.620 6.498 10.606 498 HE ARG 56 HE ARG 56 -6.640 9.114 11.491 499 HH11 ARG 56 HH11 ARG 56 -6.245 6.328 9.296 500 HH12 ARG 56 HH12 ARG 56 -4.664 6.730 8.887 501 HH21 ARG 56 HH21 ARG 56 -4.446 9.606 10.914 502 HH22 ARG 56 HH22 ARG 56 -3.566 8.587 9.874 503 H SER 57 HN SER 57 -12.214 6.093 8.589 504 HA SER 57 HA SER 57 -14.414 5.498 10.357 505 HB2 SER 57 HB2 SER 57 -14.488 7.390 8.760 506 HB3 SER 57 HB1 SER 57 -14.379 6.249 7.427 507 HG SER 57 HG SER 57 -16.379 5.377 8.790 508 H SER 58 HN SER 58 -12.339 3.600 8.716 509 HA SER 58 HA SER 58 -14.166 1.392 8.642 510 HB2 SER 58 HB2 SER 58 -12.604 2.183 6.150 511 HB3 SER 58 HB1 SER 58 -13.670 0.789 6.326 512 HG SER 58 HG SER 58 -15.197 2.733 6.953 513 H GLY 59 HN GLY 59 -12.800 -0.640 8.306 514 HA2 GLY 59 HA2 GLY 59 -10.220 -0.185 9.589 515 HA3 GLY 59 HA1 GLY 59 -11.111 -1.698 9.536 516 H TYR 60 HN TYR 60 -10.582 0.328 6.742 517 HA TYR 60 HA TYR 60 -9.353 -1.927 5.469 518 HB2 TYR 60 HB2 TYR 60 -10.496 0.641 4.458 519 HB3 TYR 60 HB1 TYR 60 -9.373 -0.260 3.445 520 HD1 TYR 60 HD2 TYR 60 -12.550 -0.698 5.380 521 HD2 TYR 60 HD1 TYR 60 -10.170 -1.978 2.097 522 HE1 TYR 60 HE2 TYR 60 -14.374 -2.180 4.632 523 HE2 TYR 60 HE1 TYR 60 -11.977 -3.455 1.344 524 HH TYR 60 HH TYR 60 -15.111 -3.228 2.573 525 H ARG 61 HN ARG 61 -7.396 -2.080 4.730 526 HA ARG 61 HA ARG 61 -5.486 0.021 5.404 527 HB2 ARG 61 HB2 ARG 61 -5.389 -2.867 6.192 528 HB3 ARG 61 HB1 ARG 61 -3.896 -2.041 5.805 529 HG2 ARG 61 HG2 ARG 61 -4.207 -2.075 8.183 530 HG3 ARG 61 HG1 ARG 61 -4.365 -0.423 7.612 531 HD2 ARG 61 HD2 ARG 61 -6.733 -0.496 7.854 532 HD3 ARG 61 HD1 ARG 61 -6.706 -2.234 8.162 533 HE ARG 61 HE ARG 61 -5.213 -0.536 9.977 534 HH11 ARG 61 HH11 ARG 61 -8.230 -2.309 9.415 535 HH12 ARG 61 HH12 ARG 61 -8.602 -2.454 11.075 536 HH21 ARG 61 HH21 ARG 61 -5.748 -0.739 12.256 537 HH22 ARG 61 HH22 ARG 61 -7.162 -1.569 12.695 538 H LEU 62 HN LEU 62 -3.744 0.098 4.123 539 HA LEU 62 HA LEU 62 -3.660 -1.659 1.786 540 HB2 LEU 62 HB2 LEU 62 -4.676 0.575 1.237 541 HB3 LEU 62 HB1 LEU 62 -3.229 1.350 1.822 542 HG LEU 62 HG LEU 62 -3.173 -0.532 -0.536 543 HD11 LEU 62 HD11 LEU 62 -4.768 1.247 -1.019 544 HD12 LEU 62 HD12 LEU 62 -3.282 1.478 -1.946 545 HD13 LEU 62 HD13 LEU 62 -3.589 2.460 -0.515 546 HD21 LEU 62 HD21 LEU 62 -1.396 1.735 0.330 547 HD22 LEU 62 HD22 LEU 62 -1.173 0.749 -1.113 548 HD23 LEU 62 HD23 LEU 62 -1.014 0.020 0.490 549 H VAL 63 HN VAL 63 -1.673 -2.562 1.600 550 HA VAL 63 HA VAL 63 0.462 -1.403 3.251 551 HB VAL 63 HB VAL 63 0.090 -4.339 2.552 552 HG11 VAL 63 HG11 VAL 63 2.437 -3.705 2.912 553 HG12 VAL 63 HG12 VAL 63 1.837 -4.747 4.208 554 HG13 VAL 63 HG13 VAL 63 2.004 -3.027 4.486 555 HG21 VAL 63 HG21 VAL 63 -0.438 -2.927 5.165 556 HG22 VAL 63 HG22 VAL 63 -0.515 -4.670 4.909 557 HG23 VAL 63 HG23 VAL 63 -1.656 -3.604 4.088 558 H TYR 64 HN TYR 64 2.253 -0.869 2.223 559 HA TYR 64 HA TYR 64 2.760 -1.940 -0.447 560 HB2 TYR 64 HB2 TYR 64 3.318 0.349 -1.268 561 HB3 TYR 64 HB1 TYR 64 1.628 0.160 -0.840 562 HD1 TYR 64 HD2 TYR 64 4.853 1.469 0.555 563 HD2 TYR 64 HD1 TYR 64 0.620 1.703 0.530 564 HE1 TYR 64 HE2 TYR 64 4.961 3.462 1.974 565 HE2 TYR 64 HE1 TYR 64 0.721 3.700 1.937 566 HH TYR 64 HH TYR 64 3.598 5.371 2.522 567 H GLN 65 HN GLN 65 4.985 -1.661 -1.107 568 HA GLN 65 HA GLN 65 6.773 -1.186 1.170 569 HB2 GLN 65 HB2 GLN 65 8.448 -2.585 0.047 570 HB3 GLN 65 HB1 GLN 65 7.003 -3.496 0.436 571 HG2 GLN 65 HG2 GLN 65 6.286 -3.335 -1.908 572 HG3 GLN 65 HG1 GLN 65 7.716 -2.383 -2.279 573 HE21 GLN 65 HE21 GLN 65 9.462 -4.026 -0.557 574 HE22 GLN 65 HE22 GLN 65 9.674 -5.503 -1.420 575 H VAL 66 HN VAL 66 8.393 0.191 0.946 576 HA VAL 66 HA VAL 66 8.310 1.848 -1.442 577 HB VAL 66 HB VAL 66 9.698 2.240 1.233 578 HG11 VAL 66 HG11 VAL 66 11.015 3.256 -0.557 579 HG12 VAL 66 HG12 VAL 66 10.262 4.483 0.461 580 HG13 VAL 66 HG13 VAL 66 9.588 4.123 -1.135 581 HG21 VAL 66 HG21 VAL 66 8.098 4.029 1.550 582 HG22 VAL 66 HG22 VAL 66 7.264 2.497 1.268 583 HG23 VAL 66 HG23 VAL 66 7.375 3.693 -0.023 584 H ILE 67 HN ILE 67 9.586 1.189 -3.044 585 HA ILE 67 HA ILE 67 12.017 -0.226 -2.328 586 HB ILE 67 HB ILE 67 10.808 0.134 -5.102 587 HG12 ILE 67 HG12 ILE 67 10.481 -2.239 -3.242 588 HG13 ILE 67 HG11 ILE 67 9.237 -1.033 -3.542 589 HG21 ILE 67 HG21 ILE 67 12.795 -1.864 -3.997 590 HG22 ILE 67 HG22 ILE 67 13.191 -0.484 -5.017 591 HG23 ILE 67 HG23 ILE 67 12.210 -1.801 -5.659 592 HD11 ILE 67 HD11 ILE 67 10.437 -2.863 -5.613 593 HD12 ILE 67 HD12 ILE 67 9.145 -1.689 -5.879 594 HD13 ILE 67 HD13 ILE 67 8.874 -3.077 -4.826 595 H ASP 68 HN ASP 68 13.398 1.358 -1.796 596 HA ASP 68 HA ASP 68 13.358 3.916 -2.994 597 HB2 ASP 68 HB2 ASP 68 15.214 4.403 -1.515 598 HB3 ASP 68 HB1 ASP 68 13.930 3.590 -0.633 599 H GLU 69 HN GLU 69 15.156 1.014 -3.431 600 HA GLU 69 HA GLU 69 17.237 2.144 -4.970 601 HB2 GLU 69 HB2 GLU 69 16.225 -0.693 -4.864 602 HB3 GLU 69 HB1 GLU 69 17.723 -0.185 -5.638 603 HG2 GLU 69 HG2 GLU 69 18.560 0.610 -3.490 604 HG3 GLU 69 HG1 GLU 69 17.069 0.093 -2.711 605 H LYS 70 HN LYS 70 14.058 0.968 -5.748 606 HA LYS 70 HA LYS 70 14.617 1.404 -8.591 607 HB2 LYS 70 HB2 LYS 70 12.254 0.061 -7.280 608 HB3 LYS 70 HB1 LYS 70 12.394 0.330 -9.012 609 HG2 LYS 70 HG2 LYS 70 14.414 -1.076 -9.035 610 HG3 LYS 70 HG1 LYS 70 14.210 -1.353 -7.305 611 HD2 LYS 70 HD2 LYS 70 12.063 -2.420 -7.701 612 HD3 LYS 70 HD1 LYS 70 12.189 -2.092 -9.425 613 HE2 LYS 70 HE2 LYS 70 14.219 -3.496 -9.516 614 HE3 LYS 70 HE1 LYS 70 14.033 -3.846 -7.801 615 HZ1 LYS 70 HZ1 LYS 70 12.082 -4.564 -9.925 616 HZ2 LYS 70 HZ2 LYS 70 11.905 -4.886 -8.281 617 HZ3 LYS 70 HZ3 LYS 70 13.156 -5.611 -9.158 618 H VAL 71 HN VAL 71 13.538 3.089 -6.041 619 HA VAL 71 HA VAL 71 12.594 5.101 -5.724 620 HB VAL 71 HB VAL 71 12.657 5.434 -8.765 621 HG11 VAL 71 HG11 VAL 71 12.728 7.530 -6.590 622 HG12 VAL 71 HG12 VAL 71 11.370 7.188 -7.666 623 HG13 VAL 71 HG13 VAL 71 12.874 7.841 -8.321 624 HG21 VAL 71 HG21 VAL 71 14.868 4.785 -7.976 625 HG22 VAL 71 HG22 VAL 71 14.829 6.068 -6.768 626 HG23 VAL 71 HG23 VAL 71 14.868 6.475 -8.485 627 H VAL 72 HN VAL 72 10.933 2.717 -6.141 628 HA VAL 72 HA VAL 72 8.446 4.068 -6.857 629 HB VAL 72 HB VAL 72 9.077 2.708 -8.809 630 HG11 VAL 72 HG11 VAL 72 10.422 1.023 -7.775 631 HG12 VAL 72 HG12 VAL 72 9.131 0.273 -8.715 632 HG13 VAL 72 HG13 VAL 72 9.012 0.348 -6.953 633 HG21 VAL 72 HG21 VAL 72 6.718 1.546 -7.324 634 HG22 VAL 72 HG22 VAL 72 7.018 1.366 -9.049 635 HG23 VAL 72 HG23 VAL 72 6.685 2.959 -8.374 636 H VAL 73 HN VAL 73 6.771 3.668 -5.628 637 HA VAL 73 HA VAL 73 7.096 1.928 -3.333 638 HB VAL 73 HB VAL 73 5.025 4.066 -3.961 639 HG11 VAL 73 HG11 VAL 73 4.138 2.326 -2.516 640 HG12 VAL 73 HG12 VAL 73 4.358 3.829 -1.624 641 HG13 VAL 73 HG13 VAL 73 5.516 2.510 -1.435 642 HG21 VAL 73 HG21 VAL 73 6.148 5.376 -2.210 643 HG22 VAL 73 HG22 VAL 73 7.206 5.037 -3.579 644 HG23 VAL 73 HG23 VAL 73 7.383 4.120 -2.087 645 H PHE 74 HN PHE 74 6.194 0.034 -3.457 646 HA PHE 74 HA PHE 74 4.330 -0.507 -5.659 647 HB2 PHE 74 HB2 PHE 74 6.536 -1.591 -5.771 648 HB3 PHE 74 HB1 PHE 74 6.254 -2.323 -4.205 649 HD1 PHE 74 HD1 PHE 74 5.208 -2.282 -7.730 650 HD2 PHE 74 HD2 PHE 74 5.011 -4.331 -4.009 651 HE1 PHE 74 HE1 PHE 74 4.274 -4.252 -8.868 652 HE2 PHE 74 HE2 PHE 74 4.068 -6.298 -5.136 653 HZ PHE 74 HZ PHE 74 3.701 -6.260 -7.570 654 H VAL 75 HN VAL 75 2.307 -0.654 -4.948 655 HA VAL 75 HA VAL 75 1.610 -1.364 -2.275 656 HB VAL 75 HB VAL 75 -0.151 -1.217 -4.748 657 HG11 VAL 75 HG11 VAL 75 -0.942 -1.390 -1.841 658 HG12 VAL 75 HG12 VAL 75 -1.222 -2.604 -3.089 659 HG13 VAL 75 HG13 VAL 75 -2.048 -1.053 -3.173 660 HG21 VAL 75 HG21 VAL 75 -0.857 0.964 -3.830 661 HG22 VAL 75 HG22 VAL 75 0.851 0.920 -4.261 662 HG23 VAL 75 HG23 VAL 75 0.373 0.808 -2.570 663 H ILE 76 HN ILE 76 1.437 -3.265 -1.450 664 HA ILE 76 HA ILE 76 1.948 -5.579 -3.155 665 HB ILE 76 HB ILE 76 1.937 -5.322 -0.147 666 HG12 ILE 76 HG12 ILE 76 4.301 -5.283 -2.018 667 HG13 ILE 76 HG11 ILE 76 3.610 -3.848 -1.267 668 HG21 ILE 76 HG21 ILE 76 3.238 -7.392 -0.202 669 HG22 ILE 76 HG22 ILE 76 3.103 -7.432 -1.960 670 HG23 ILE 76 HG23 ILE 76 1.659 -7.611 -0.962 671 HD11 ILE 76 HD11 ILE 76 5.587 -4.667 -0.103 672 HD12 ILE 76 HD12 ILE 76 4.757 -6.198 0.193 673 HD13 ILE 76 HD13 ILE 76 4.156 -4.715 0.927 674 H SER 77 HN SER 77 -0.285 -4.374 -0.673 675 HA SER 77 HA SER 77 -2.295 -6.260 -1.546 676 HB2 SER 77 HB2 SER 77 -1.261 -6.222 1.300 677 HB3 SER 77 HB1 SER 77 -2.617 -7.181 0.702 678 HG SER 77 HG SER 77 -0.590 -7.663 -0.888 679 H VAL 78 HN VAL 78 -4.392 -5.650 -0.866 680 HA VAL 78 HA VAL 78 -4.663 -3.318 0.762 681 HB VAL 78 HB VAL 78 -4.311 -2.422 -1.529 682 HG11 VAL 78 HG11 VAL 78 -6.788 -3.931 -2.287 683 HG12 VAL 78 HG12 VAL 78 -5.151 -4.212 -2.881 684 HG13 VAL 78 HG13 VAL 78 -5.989 -2.715 -3.283 685 HG21 VAL 78 HG21 VAL 78 -5.654 -1.142 0.001 686 HG22 VAL 78 HG22 VAL 78 -7.110 -2.014 -0.493 687 HG23 VAL 78 HG23 VAL 78 -6.264 -0.965 -1.641 688 H GLY 79 HN GLY 79 -6.558 -3.349 1.872 689 HA2 GLY 79 HA2 GLY 79 -8.966 -4.368 1.257 690 HA3 GLY 79 HA1 GLY 79 -8.078 -5.791 1.779 691 H LYS 80 HN LYS 80 -8.611 -6.245 3.817 692 HA LYS 80 HA LYS 80 -9.118 -3.961 5.637 693 HB2 LYS 80 HB2 LYS 80 -10.181 -6.762 5.894 694 HB3 LYS 80 HB1 LYS 80 -10.608 -5.382 6.888 695 HG2 LYS 80 HG2 LYS 80 -11.596 -4.331 4.855 696 HG3 LYS 80 HG1 LYS 80 -11.300 -5.844 4.001 697 HD2 LYS 80 HD2 LYS 80 -13.057 -5.445 6.425 698 HD3 LYS 80 HD1 LYS 80 -13.594 -5.781 4.783 699 HE2 LYS 80 HE2 LYS 80 -11.997 -7.633 6.562 700 HE3 LYS 80 HE1 LYS 80 -13.711 -7.778 6.190 701 HZ1 LYS 80 HZ1 LYS 80 -12.601 -9.282 4.819 702 HZ2 LYS 80 HZ2 LYS 80 -11.389 -8.247 4.397 703 HZ3 LYS 80 HZ3 LYS 80 -12.964 -7.999 3.784 704 H ALA 81 HN ALA 81 -8.662 -4.419 7.902 705 HA ALA 81 HA ALA 81 -6.736 -6.556 8.286 706 HB1 ALA 81 HB1 ALA 81 -6.450 -3.813 9.519 707 HB2 ALA 81 HB2 ALA 81 -5.446 -4.450 8.214 708 HB3 ALA 81 HB3 ALA 81 -5.402 -5.199 9.813 709 H GLU 82 HN GLU 82 -8.705 -7.507 8.775 710 HA GLU 82 HA GLU 82 -10.124 -6.767 11.123 711 HB2 GLU 82 HB2 GLU 82 -11.011 -9.272 10.674 712 HB3 GLU 82 HB1 GLU 82 -11.600 -7.882 9.787 713 HG2 GLU 82 HG2 GLU 82 -11.175 -9.749 8.281 714 HG3 GLU 82 HG1 GLU 82 -10.093 -8.417 7.917 715 H ALA 83 HN ALA 83 -7.754 -9.097 10.256 716 HA ALA 83 HA ALA 83 -6.843 -9.197 12.995 717 HB1 ALA 83 HB1 ALA 83 -7.390 -11.657 11.315 718 HB2 ALA 83 HB2 ALA 83 -8.278 -11.178 12.762 719 HB3 ALA 83 HB3 ALA 83 -6.583 -11.647 12.883 720 H SER 84 HN SER 84 -6.219 -10.745 9.815 721 HA SER 84 HA SER 84 -3.655 -9.396 9.685 722 HB2 SER 84 HB2 SER 84 -3.811 -12.425 9.805 723 HB3 SER 84 HB1 SER 84 -2.355 -11.475 9.531 724 HG SER 84 HG SER 84 -2.752 -12.254 11.715 725 H GLU 85 HN GLU 85 -6.228 -9.613 7.998 726 HA GLU 85 HA GLU 85 -5.984 -11.275 5.792 727 HB2 GLU 85 HB2 GLU 85 -7.993 -9.952 6.284 728 HB3 GLU 85 HB1 GLU 85 -7.128 -8.477 5.887 729 HG2 GLU 85 HG2 GLU 85 -6.808 -9.394 3.579 730 HG3 GLU 85 HG1 GLU 85 -7.909 -10.695 4.020 731 H VAL 86 HN VAL 86 -4.910 -7.878 5.990 732 HA VAL 86 HA VAL 86 -3.604 -8.106 3.440 733 HB VAL 86 HB VAL 86 -2.831 -5.762 3.823 734 HG11 VAL 86 HG11 VAL 86 -5.776 -6.271 4.192 735 HG12 VAL 86 HG12 VAL 86 -4.910 -6.215 2.657 736 HG13 VAL 86 HG13 VAL 86 -5.059 -4.758 3.641 737 HG21 VAL 86 HG21 VAL 86 -4.457 -5.992 6.363 738 HG22 VAL 86 HG22 VAL 86 -3.762 -4.503 5.719 739 HG23 VAL 86 HG23 VAL 86 -2.707 -5.804 6.268 740 H TYR 87 HN TYR 87 -2.682 -8.982 6.481 741 HA TYR 87 HA TYR 87 0.086 -8.175 6.178 742 HB2 TYR 87 HB2 TYR 87 -1.303 -9.718 8.360 743 HB3 TYR 87 HB1 TYR 87 0.424 -9.393 8.353 744 HD1 TYR 87 HD1 TYR 87 -2.916 -7.835 8.580 745 HD2 TYR 87 HD2 TYR 87 1.281 -7.255 8.943 746 HE1 TYR 87 HE1 TYR 87 -3.313 -5.678 9.673 747 HE2 TYR 87 HE2 TYR 87 0.893 -5.089 10.027 748 HH TYR 87 HH TYR 87 -2.225 -4.175 11.111 749 H SER 88 HN SER 88 -1.760 -11.211 6.308 750 HA SER 88 HA SER 88 0.474 -12.852 5.839 751 HB2 SER 88 HB2 SER 88 -1.267 -14.547 5.246 752 HB3 SER 88 HB1 SER 88 -1.546 -13.771 6.808 753 HG SER 88 HG SER 88 -2.885 -13.481 4.369 754 H GLU 89 HN GLU 89 -1.795 -11.204 3.821 755 HA GLU 89 HA GLU 89 -1.150 -12.401 1.365 756 HB2 GLU 89 HB2 GLU 89 -3.183 -10.999 1.954 757 HB3 GLU 89 HB1 GLU 89 -2.144 -9.590 1.805 758 HG2 GLU 89 HG2 GLU 89 -3.392 -9.898 -0.219 759 HG3 GLU 89 HG1 GLU 89 -1.683 -10.214 -0.524 760 H ALA 90 HN ALA 90 -0.008 -9.481 3.014 761 HA ALA 90 HA ALA 90 1.696 -8.585 0.999 762 HB1 ALA 90 HB1 ALA 90 1.940 -8.108 3.962 763 HB2 ALA 90 HB2 ALA 90 0.944 -7.167 2.854 764 HB3 ALA 90 HB3 ALA 90 2.702 -7.155 2.688 765 H VAL 91 HN VAL 91 2.500 -10.409 3.961 766 HA VAL 91 HA VAL 91 5.221 -10.545 3.298 767 HB VAL 91 HB VAL 91 4.514 -10.835 5.619 768 HG11 VAL 91 HG11 VAL 91 3.382 -13.480 4.788 769 HG12 VAL 91 HG12 VAL 91 2.484 -12.069 5.332 770 HG13 VAL 91 HG13 VAL 91 3.561 -12.916 6.448 771 HG21 VAL 91 HG21 VAL 91 5.973 -12.708 6.269 772 HG22 VAL 91 HG22 VAL 91 6.704 -11.700 5.022 773 HG23 VAL 91 HG23 VAL 91 5.992 -13.258 4.595 774 H LYS 92 HN LYS 92 2.620 -12.768 2.437 775 HA LYS 92 HA LYS 92 4.480 -14.637 1.306 776 HB2 LYS 92 HB2 LYS 92 1.498 -14.480 1.320 777 HB3 LYS 92 HB1 LYS 92 2.279 -15.482 0.117 778 HG2 LYS 92 HG2 LYS 92 1.647 -16.866 1.972 779 HG3 LYS 92 HG1 LYS 92 3.397 -16.733 1.959 780 HD2 LYS 92 HD2 LYS 92 3.302 -15.121 3.743 781 HD3 LYS 92 HD1 LYS 92 1.534 -15.159 3.741 782 HE2 LYS 92 HE2 LYS 92 1.714 -17.633 4.223 783 HE3 LYS 92 HE1 LYS 92 3.441 -17.386 4.451 784 HZ1 LYS 92 HZ1 LYS 92 2.921 -15.822 6.253 785 HZ2 LYS 92 HZ2 LYS 92 2.273 -17.337 6.552 786 HZ3 LYS 92 HZ3 LYS 92 1.278 -16.102 6.020 787 H ARG 93 HN ARG 93 3.242 -11.690 0.230 788 HA ARG 93 HA ARG 93 3.620 -12.395 -2.560 789 HB2 ARG 93 HB2 ARG 93 1.737 -10.909 -1.953 790 HB3 ARG 93 HB1 ARG 93 2.876 -9.751 -1.306 791 HG2 ARG 93 HG2 ARG 93 2.043 -9.022 -3.471 792 HG3 ARG 93 HG1 ARG 93 3.766 -9.364 -3.566 793 HD2 ARG 93 HD2 ARG 93 1.629 -11.326 -4.408 794 HD3 ARG 93 HD1 ARG 93 2.351 -10.164 -5.513 795 HE ARG 93 HE ARG 93 4.476 -11.460 -4.422 796 HH11 ARG 93 HH11 ARG 93 1.612 -12.501 -6.263 797 HH12 ARG 93 HH12 ARG 93 2.377 -13.902 -6.863 798 HH21 ARG 93 HH21 ARG 93 5.492 -13.460 -5.305 799 HH22 ARG 93 HH22 ARG 93 4.548 -14.429 -6.336 800 H ILE 94 HN ILE 94 5.279 -10.866 -0.005 801 HA ILE 94 HA ILE 94 7.264 -9.666 -1.717 802 HB ILE 94 HB ILE 94 7.333 -10.058 1.279 803 HG12 ILE 94 HG12 ILE 94 6.538 -7.601 -0.254 804 HG13 ILE 94 HG11 ILE 94 5.375 -8.772 0.365 805 HG21 ILE 94 HG21 ILE 94 8.961 -8.213 1.223 806 HG22 ILE 94 HG22 ILE 94 8.848 -8.158 -0.535 807 HG23 ILE 94 HG23 ILE 94 9.536 -9.574 0.259 808 HD11 ILE 94 HD11 ILE 94 6.197 -8.402 2.589 809 HD12 ILE 94 HD12 ILE 94 5.574 -6.922 1.864 810 HD13 ILE 94 HD13 ILE 94 7.326 -7.179 1.996 811 H LEU 95 HN LEU 95 7.263 -12.368 0.654 812 HA LEU 95 HA LEU 95 9.741 -13.254 -0.631 813 HB2 LEU 95 HB2 LEU 95 8.704 -13.961 2.136 814 HB3 LEU 95 HB1 LEU 95 10.127 -14.650 1.399 815 HG LEU 95 HG LEU 95 11.059 -12.252 1.384 816 HD11 LEU 95 HD11 LEU 95 8.851 -11.867 3.392 817 HD12 LEU 95 HD12 LEU 95 9.000 -11.069 1.828 818 HD13 LEU 95 HD13 LEU 95 10.191 -10.757 3.090 819 HD21 LEU 95 HD21 LEU 95 10.594 -13.672 4.001 820 HD22 LEU 95 HD22 LEU 95 11.836 -12.464 3.689 821 HD23 LEU 95 HD23 LEU 95 11.881 -14.011 2.844 Start of MODEL 4 1 H MET 1 H MET 1 11.586 13.554 -1.061 2 HA MET 1 HA MET 1 11.017 15.010 -3.557 3 HB2 MET 1 HB2 MET 1 13.324 14.085 -3.437 4 HB3 MET 1 HB1 MET 1 12.635 12.522 -3.000 5 HG2 MET 1 HG2 MET 1 11.588 12.354 -5.183 6 HG3 MET 1 HG1 MET 1 12.212 13.941 -5.620 7 HE1 MET 1 HE1 MET 1 14.159 11.166 -3.557 8 HE2 MET 1 HE2 MET 1 14.922 10.262 -4.866 9 HE3 MET 1 HE3 MET 1 13.170 10.240 -4.683 10 H ALA 2 HN ALA 2 9.499 13.954 -4.869 11 HA ALA 2 HA ALA 2 7.722 12.248 -3.336 12 HB1 ALA 2 HB1 ALA 2 6.080 12.648 -5.062 13 HB2 ALA 2 HB2 ALA 2 7.280 13.483 -6.051 14 HB3 ALA 2 HB3 ALA 2 6.760 14.182 -4.513 15 H TYR 3 HN TYR 3 7.320 10.240 -3.741 16 HA TYR 3 HA TYR 3 8.987 8.851 -5.677 17 HB2 TYR 3 HB2 TYR 3 7.347 7.902 -3.324 18 HB3 TYR 3 HB1 TYR 3 8.097 6.795 -4.463 19 HD1 TYR 3 HD1 TYR 3 9.258 9.872 -2.635 20 HD2 TYR 3 HD2 TYR 3 9.960 5.788 -3.573 21 HE1 TYR 3 HE1 TYR 3 11.320 9.933 -1.314 22 HE2 TYR 3 HE2 TYR 3 12.031 5.838 -2.254 23 HH TYR 3 HH TYR 3 13.645 7.493 -1.515 24 H PHE 4 HN PHE 4 7.946 6.929 -6.727 25 HA PHE 4 HA PHE 4 5.474 7.760 -8.049 26 HB2 PHE 4 HB2 PHE 4 7.402 5.496 -8.615 27 HB3 PHE 4 HB1 PHE 4 6.011 5.868 -9.616 28 HD1 PHE 4 HD1 PHE 4 5.960 8.235 -10.649 29 HD2 PHE 4 HD2 PHE 4 9.458 6.444 -9.022 30 HE1 PHE 4 HE1 PHE 4 7.354 9.788 -11.946 31 HE2 PHE 4 HE2 PHE 4 10.859 7.995 -10.316 32 HZ PHE 4 HZ PHE 4 9.810 9.668 -11.776 33 H LEU 5 HN LEU 5 3.781 6.030 -8.385 34 HA LEU 5 HA LEU 5 3.691 4.181 -6.092 35 HB2 LEU 5 HB2 LEU 5 2.240 6.342 -6.014 36 HB3 LEU 5 HB1 LEU 5 1.277 5.576 -7.249 37 HG LEU 5 HG LEU 5 0.195 5.366 -5.099 38 HD11 LEU 5 HD11 LEU 5 -0.079 2.975 -4.859 39 HD12 LEU 5 HD12 LEU 5 1.276 2.714 -5.954 40 HD13 LEU 5 HD13 LEU 5 -0.195 3.511 -6.535 41 HD21 LEU 5 HD21 LEU 5 2.084 5.564 -3.624 42 HD22 LEU 5 HD22 LEU 5 2.686 3.988 -4.143 43 HD23 LEU 5 HD23 LEU 5 1.172 4.104 -3.253 44 H ASP 6 HN ASP 6 3.445 2.108 -6.788 45 HA ASP 6 HA ASP 6 1.976 1.623 -9.291 46 HB2 ASP 6 HB2 ASP 6 4.484 1.296 -9.660 47 HB3 ASP 6 HB1 ASP 6 4.379 0.083 -8.379 48 H PHE 7 HN PHE 7 0.939 -0.366 -9.313 49 HA PHE 7 HA PHE 7 0.420 -1.486 -6.628 50 HB2 PHE 7 HB2 PHE 7 -1.507 -1.251 -8.944 51 HB3 PHE 7 HB1 PHE 7 -1.858 -1.985 -7.393 52 HD1 PHE 7 HD2 PHE 7 -1.457 1.138 -9.246 53 HD2 PHE 7 HD1 PHE 7 -2.328 -0.597 -5.461 54 HE1 PHE 7 HE2 PHE 7 -2.379 3.285 -8.483 55 HE2 PHE 7 HE1 PHE 7 -3.261 1.546 -4.693 56 HZ PHE 7 HZ PHE 7 -3.283 3.490 -6.201 57 H ASP 8 HN ASP 8 0.700 -3.684 -6.511 58 HA ASP 8 HA ASP 8 1.474 -5.175 -8.826 59 HB2 ASP 8 HB2 ASP 8 2.139 -5.806 -6.463 60 HB3 ASP 8 HB1 ASP 8 0.462 -6.258 -6.168 61 H GLU 9 HN GLU 9 0.135 -6.907 -9.794 62 HA GLU 9 HA GLU 9 -2.401 -5.931 -10.365 63 HB2 GLU 9 HB2 GLU 9 -2.820 -7.953 -11.608 64 HB3 GLU 9 HB1 GLU 9 -1.193 -7.369 -11.909 65 HG2 GLU 9 HG2 GLU 9 -0.287 -9.049 -10.447 66 HG3 GLU 9 HG1 GLU 9 -1.917 -9.592 -10.038 67 H ARG 10 HN ARG 10 -1.417 -8.247 -7.891 68 HA ARG 10 HA ARG 10 -4.046 -9.106 -7.284 69 HB2 ARG 10 HB2 ARG 10 -3.184 -9.650 -4.965 70 HB3 ARG 10 HB1 ARG 10 -2.322 -10.412 -6.286 71 HG2 ARG 10 HG2 ARG 10 -0.469 -8.959 -6.021 72 HG3 ARG 10 HG1 ARG 10 -1.370 -7.910 -4.928 73 HD2 ARG 10 HD2 ARG 10 -0.913 -10.795 -4.260 74 HD3 ARG 10 HD1 ARG 10 0.325 -9.585 -3.936 75 HE ARG 10 HE ARG 10 -1.275 -8.411 -2.589 76 HH11 ARG 10 HH11 ARG 10 -2.196 -11.796 -3.285 77 HH12 ARG 10 HH12 ARG 10 -3.020 -11.993 -1.812 78 HH21 ARG 10 HH21 ARG 10 -2.380 -8.741 -0.563 79 HH22 ARG 10 HH22 ARG 10 -3.123 -10.236 -0.216 80 H ALA 11 HN ALA 11 -2.194 -6.344 -6.286 81 HA ALA 11 HA ALA 11 -4.023 -5.410 -4.352 82 HB1 ALA 11 HB1 ALA 11 -1.683 -4.691 -4.364 83 HB2 ALA 11 HB2 ALA 11 -2.770 -3.307 -4.487 84 HB3 ALA 11 HB3 ALA 11 -1.932 -3.899 -5.918 85 H LEU 12 HN LEU 12 -3.609 -4.906 -7.825 86 HA LEU 12 HA LEU 12 -5.439 -2.799 -8.118 87 HB2 LEU 12 HB2 LEU 12 -4.422 -4.885 -10.007 88 HB3 LEU 12 HB1 LEU 12 -5.579 -3.669 -10.499 89 HG LEU 12 HG LEU 12 -2.834 -3.068 -9.411 90 HD11 LEU 12 HD11 LEU 12 -2.744 -4.205 -11.595 91 HD12 LEU 12 HD12 LEU 12 -2.250 -2.520 -11.707 92 HD13 LEU 12 HD13 LEU 12 -3.856 -3.004 -12.253 93 HD21 LEU 12 HD21 LEU 12 -3.322 -0.802 -10.284 94 HD22 LEU 12 HD22 LEU 12 -4.423 -1.272 -8.997 95 HD23 LEU 12 HD23 LEU 12 -4.960 -1.325 -10.672 96 H LYS 13 HN LYS 13 -5.822 -6.264 -8.331 97 HA LYS 13 HA LYS 13 -8.504 -6.285 -9.167 98 HB2 LYS 13 HB2 LYS 13 -6.930 -8.315 -7.573 99 HB3 LYS 13 HB1 LYS 13 -8.470 -8.628 -8.374 100 HG2 LYS 13 HG2 LYS 13 -7.542 -8.396 -10.513 101 HG3 LYS 13 HG1 LYS 13 -6.096 -7.609 -9.891 102 HD2 LYS 13 HD2 LYS 13 -5.474 -9.699 -8.782 103 HD3 LYS 13 HD1 LYS 13 -6.860 -10.511 -9.535 104 HE2 LYS 13 HE2 LYS 13 -5.953 -9.944 -11.755 105 HE3 LYS 13 HE1 LYS 13 -4.597 -9.127 -10.987 106 HZ1 LYS 13 HZ1 LYS 13 -5.160 -12.047 -11.005 107 HZ2 LYS 13 HZ2 LYS 13 -4.065 -11.338 -9.965 108 HZ3 LYS 13 HZ3 LYS 13 -3.806 -11.217 -11.618 109 H GLU 14 HN GLU 14 -7.037 -6.421 -5.937 110 HA GLU 14 HA GLU 14 -9.468 -6.467 -4.534 111 HB2 GLU 14 HB2 GLU 14 -6.713 -5.608 -3.670 112 HB3 GLU 14 HB1 GLU 14 -8.060 -5.912 -2.582 113 HG2 GLU 14 HG2 GLU 14 -6.856 -7.936 -4.441 114 HG3 GLU 14 HG1 GLU 14 -6.453 -7.810 -2.739 115 H TRP 15 HN TRP 15 -7.372 -3.883 -5.614 116 HA TRP 15 HA TRP 15 -8.497 -1.660 -4.333 117 HB2 TRP 15 HB2 TRP 15 -6.341 -1.702 -5.544 118 HB3 TRP 15 HB1 TRP 15 -7.195 -1.924 -7.053 119 HD1 TRP 15 HD1 TRP 15 -8.024 0.241 -8.281 120 HE1 TRP 15 HE1 TRP 15 -7.638 2.756 -7.873 121 HE3 TRP 15 HE3 TRP 15 -6.123 0.008 -3.547 122 HZ2 TRP 15 HZ2 TRP 15 -6.661 4.412 -5.816 123 HZ3 TRP 15 HZ3 TRP 15 -5.476 2.105 -2.434 124 HH2 TRP 15 HH2 TRP 15 -5.741 4.254 -3.543 125 H ARG 16 HN ARG 16 -9.294 -3.192 -7.411 126 HA ARG 16 HA ARG 16 -11.425 -1.371 -8.059 127 HB2 ARG 16 HB2 ARG 16 -10.805 -4.121 -9.167 128 HB3 ARG 16 HB1 ARG 16 -11.927 -2.969 -9.883 129 HG2 ARG 16 HG2 ARG 16 -10.149 -1.432 -10.343 130 HG3 ARG 16 HG1 ARG 16 -9.003 -2.426 -9.451 131 HD2 ARG 16 HD2 ARG 16 -9.387 -4.243 -11.090 132 HD3 ARG 16 HD1 ARG 16 -10.395 -3.138 -12.028 133 HE ARG 16 HE ARG 16 -8.117 -1.764 -11.730 134 HH11 ARG 16 HH11 ARG 16 -8.801 -5.000 -12.956 135 HH12 ARG 16 HH12 ARG 16 -7.443 -5.064 -13.975 136 HH21 ARG 16 HH21 ARG 16 -6.191 -1.873 -13.146 137 HH22 ARG 16 HH22 ARG 16 -5.943 -3.269 -14.083 138 H LYS 17 HN LYS 17 -11.111 -4.216 -6.240 139 HA LYS 17 HA LYS 17 -13.841 -5.025 -6.024 140 HB2 LYS 17 HB2 LYS 17 -11.990 -6.547 -5.724 141 HB3 LYS 17 HB1 LYS 17 -11.318 -5.529 -4.479 142 HG2 LYS 17 HG2 LYS 17 -13.149 -6.170 -2.991 143 HG3 LYS 17 HG1 LYS 17 -13.790 -7.230 -4.267 144 HD2 LYS 17 HD2 LYS 17 -11.727 -8.480 -4.336 145 HD3 LYS 17 HD1 LYS 17 -10.980 -7.377 -3.195 146 HE2 LYS 17 HE2 LYS 17 -12.543 -8.123 -1.476 147 HE3 LYS 17 HE1 LYS 17 -13.274 -9.241 -2.630 148 HZ1 LYS 17 HZ1 LYS 17 -11.212 -10.421 -2.814 149 HZ2 LYS 17 HZ2 LYS 17 -11.532 -10.274 -1.161 150 HZ3 LYS 17 HZ3 LYS 17 -10.396 -9.286 -1.895 151 H LEU 18 HN LEU 18 -11.829 -2.669 -4.514 152 HA LEU 18 HA LEU 18 -13.433 -2.175 -2.195 153 HB2 LEU 18 HB2 LEU 18 -11.047 -1.007 -3.447 154 HB3 LEU 18 HB1 LEU 18 -12.059 0.134 -2.594 155 HG LEU 18 HG LEU 18 -11.774 -1.111 -0.529 156 HD11 LEU 18 HD11 LEU 18 -10.024 -2.977 -2.108 157 HD12 LEU 18 HD12 LEU 18 -11.603 -3.358 -1.419 158 HD13 LEU 18 HD13 LEU 18 -10.246 -2.981 -0.355 159 HD21 LEU 18 HD21 LEU 18 -9.179 -0.572 -1.931 160 HD22 LEU 18 HD22 LEU 18 -9.426 -0.650 -0.179 161 HD23 LEU 18 HD23 LEU 18 -10.215 0.610 -1.135 162 H GLY 19 HN GLY 19 -14.428 -0.081 -1.792 163 HA2 GLY 19 HA2 GLY 19 -16.219 0.667 -3.919 164 HA3 GLY 19 HA1 GLY 19 -16.170 1.359 -2.297 165 H SER 20 HN SER 20 -16.396 2.841 -4.785 166 HA SER 20 HA SER 20 -14.046 3.835 -5.786 167 HB2 SER 20 HB2 SER 20 -15.518 5.810 -6.425 168 HB3 SER 20 HB1 SER 20 -16.039 4.215 -6.970 169 HG SER 20 HG SER 20 -17.555 5.781 -5.864 170 H THR 21 HN THR 21 -15.953 5.110 -3.079 171 HA THR 21 HA THR 21 -14.241 7.321 -2.632 172 HB THR 21 HB THR 21 -16.082 6.034 -0.598 173 HG1 THR 21 HG1 THR 21 -17.621 6.564 -1.919 174 HG21 THR 21 HG21 THR 21 -14.588 7.808 0.249 175 HG22 THR 21 HG22 THR 21 -16.269 8.344 0.238 176 HG23 THR 21 HG23 THR 21 -15.163 8.894 -1.017 177 H VAL 22 HN VAL 22 -14.492 4.081 -1.316 178 HA VAL 22 HA VAL 22 -12.699 4.355 0.841 179 HB VAL 22 HB VAL 22 -13.532 1.874 -0.698 180 HG11 VAL 22 HG11 VAL 22 -11.355 1.503 0.369 181 HG12 VAL 22 HG12 VAL 22 -12.630 0.573 1.160 182 HG13 VAL 22 HG13 VAL 22 -12.019 2.051 1.908 183 HG21 VAL 22 HG21 VAL 22 -14.924 1.449 1.255 184 HG22 VAL 22 HG22 VAL 22 -15.305 3.024 0.549 185 HG23 VAL 22 HG23 VAL 22 -14.329 2.924 2.009 186 H ARG 23 HN ARG 23 -12.172 3.113 -2.443 187 HA ARG 23 HA ARG 23 -9.405 2.640 -2.109 188 HB2 ARG 23 HB2 ARG 23 -9.239 2.696 -4.599 189 HB3 ARG 23 HB1 ARG 23 -10.574 1.683 -4.057 190 HG2 ARG 23 HG2 ARG 23 -12.148 3.078 -4.843 191 HG3 ARG 23 HG1 ARG 23 -11.191 4.519 -4.622 192 HD2 ARG 23 HD2 ARG 23 -9.797 3.629 -6.592 193 HD3 ARG 23 HD1 ARG 23 -11.156 2.540 -6.888 194 HE ARG 23 HE ARG 23 -11.976 5.229 -6.479 195 HH11 ARG 23 HH11 ARG 23 -10.935 2.970 -8.988 196 HH12 ARG 23 HH12 ARG 23 -11.405 3.981 -10.275 197 HH21 ARG 23 HH21 ARG 23 -12.592 6.610 -8.194 198 HH22 ARG 23 HH22 ARG 23 -12.411 6.106 -9.819 199 H GLU 24 HN GLU 24 -11.246 5.478 -3.105 200 HA GLU 24 HA GLU 24 -8.938 6.866 -3.759 201 HB2 GLU 24 HB2 GLU 24 -11.789 7.671 -3.642 202 HB3 GLU 24 HB1 GLU 24 -10.526 8.889 -3.935 203 HG2 GLU 24 HG2 GLU 24 -9.687 7.514 -5.810 204 HG3 GLU 24 HG1 GLU 24 -10.992 6.376 -5.542 205 H GLN 25 HN GLN 25 -10.721 6.761 -0.753 206 HA GLN 25 HA GLN 25 -9.375 8.805 0.598 207 HB2 GLN 25 HB2 GLN 25 -10.182 6.090 1.635 208 HB3 GLN 25 HB1 GLN 25 -9.780 7.470 2.641 209 HG2 GLN 25 HG2 GLN 25 -12.143 7.173 0.801 210 HG3 GLN 25 HG1 GLN 25 -12.167 7.098 2.563 211 HE21 GLN 25 HE21 GLN 25 -11.978 9.128 -0.213 212 HE22 GLN 25 HE22 GLN 25 -12.182 10.611 0.629 213 H LEU 26 HN LEU 26 -8.524 5.426 0.032 214 HA LEU 26 HA LEU 26 -6.051 5.496 1.396 215 HB2 LEU 26 HB2 LEU 26 -7.069 3.665 -0.766 216 HB3 LEU 26 HB1 LEU 26 -5.580 3.401 0.116 217 HG LEU 26 HG LEU 26 -8.347 3.454 1.342 218 HD11 LEU 26 HD11 LEU 26 -8.041 1.059 1.643 219 HD12 LEU 26 HD12 LEU 26 -6.511 1.147 0.767 220 HD13 LEU 26 HD13 LEU 26 -8.026 1.510 -0.062 221 HD21 LEU 26 HD21 LEU 26 -7.212 2.566 3.343 222 HD22 LEU 26 HD22 LEU 26 -6.666 4.187 2.937 223 HD23 LEU 26 HD23 LEU 26 -5.656 2.792 2.546 224 H LYS 27 HN LYS 27 -6.949 5.896 -1.958 225 HA LYS 27 HA LYS 27 -4.475 6.306 -3.183 226 HB2 LYS 27 HB2 LYS 27 -6.629 6.185 -4.375 227 HB3 LYS 27 HB1 LYS 27 -7.068 7.737 -3.678 228 HG2 LYS 27 HG2 LYS 27 -5.045 8.686 -4.845 229 HG3 LYS 27 HG1 LYS 27 -4.954 7.166 -5.741 230 HD2 LYS 27 HD2 LYS 27 -6.175 8.754 -7.075 231 HD3 LYS 27 HD1 LYS 27 -7.320 7.557 -6.464 232 HE2 LYS 27 HE2 LYS 27 -8.013 9.099 -4.687 233 HE3 LYS 27 HE1 LYS 27 -6.822 10.273 -5.244 234 HZ1 LYS 27 HZ1 LYS 27 -9.175 9.329 -6.814 235 HZ2 LYS 27 HZ2 LYS 27 -8.054 10.494 -7.291 236 HZ3 LYS 27 HZ3 LYS 27 -9.053 10.766 -5.972 237 H LYS 28 HN LYS 28 -6.605 8.605 -1.565 238 HA LYS 28 HA LYS 28 -5.081 10.908 -1.863 239 HB2 LYS 28 HB2 LYS 28 -7.073 10.089 0.241 240 HB3 LYS 28 HB1 LYS 28 -6.306 11.674 0.235 241 HG2 LYS 28 HG2 LYS 28 -7.383 12.350 -1.702 242 HG3 LYS 28 HG1 LYS 28 -7.665 10.692 -2.232 243 HD2 LYS 28 HD2 LYS 28 -9.719 11.866 -1.516 244 HD3 LYS 28 HD1 LYS 28 -9.404 10.401 -0.596 245 HE2 LYS 28 HE2 LYS 28 -10.150 12.072 0.890 246 HE3 LYS 28 HE1 LYS 28 -8.430 11.821 1.165 247 HZ1 LYS 28 HZ1 LYS 28 -9.604 14.031 -0.425 248 HZ2 LYS 28 HZ2 LYS 28 -7.965 13.827 -0.168 249 HZ3 LYS 28 HZ3 LYS 28 -8.991 14.201 1.125 250 H LYS 29 HN LYS 29 -4.993 8.448 0.670 251 HA LYS 29 HA LYS 29 -2.873 9.670 2.115 252 HB2 LYS 29 HB2 LYS 29 -4.119 6.981 2.157 253 HB3 LYS 29 HB1 LYS 29 -2.493 7.135 2.806 254 HG2 LYS 29 HG2 LYS 29 -4.086 7.356 4.599 255 HG3 LYS 29 HG1 LYS 29 -3.299 8.908 4.321 256 HD2 LYS 29 HD2 LYS 29 -5.274 9.614 3.024 257 HD3 LYS 29 HD1 LYS 29 -6.054 8.081 3.424 258 HE2 LYS 29 HE2 LYS 29 -6.851 9.699 5.000 259 HE3 LYS 29 HE1 LYS 29 -5.717 8.616 5.812 260 HZ1 LYS 29 HZ1 LYS 29 -5.385 10.971 6.383 261 HZ2 LYS 29 HZ2 LYS 29 -4.976 11.306 4.780 262 HZ3 LYS 29 HZ3 LYS 29 -4.015 10.267 5.703 263 H LEU 30 HN LEU 30 -2.911 7.405 -0.525 264 HA LEU 30 HA LEU 30 -0.160 6.860 -0.510 265 HB2 LEU 30 HB2 LEU 30 -2.074 6.845 -2.828 266 HB3 LEU 30 HB1 LEU 30 -0.465 6.156 -2.852 267 HG LEU 30 HG LEU 30 -2.786 5.225 -1.177 268 HD11 LEU 30 HD11 LEU 30 -1.384 3.967 -3.518 269 HD12 LEU 30 HD12 LEU 30 -3.013 4.643 -3.510 270 HD13 LEU 30 HD13 LEU 30 -2.646 3.207 -2.552 271 HD21 LEU 30 HD21 LEU 30 -0.728 4.930 0.055 272 HD22 LEU 30 HD22 LEU 30 0.041 4.179 -1.342 273 HD23 LEU 30 HD23 LEU 30 -1.298 3.366 -0.526 274 H VAL 31 HN VAL 31 -2.022 9.288 -2.301 275 HA VAL 31 HA VAL 31 0.228 10.259 -3.680 276 HB VAL 31 HB VAL 31 -2.093 10.647 -4.485 277 HG11 VAL 31 HG11 VAL 31 -3.466 12.454 -3.628 278 HG12 VAL 31 HG12 VAL 31 -2.301 12.716 -2.331 279 HG13 VAL 31 HG13 VAL 31 -3.188 11.195 -2.420 280 HG21 VAL 31 HG21 VAL 31 -0.320 11.977 -5.433 281 HG22 VAL 31 HG22 VAL 31 -0.499 13.180 -4.148 282 HG23 VAL 31 HG23 VAL 31 -1.806 12.921 -5.310 283 H GLU 32 HN GLU 32 -1.221 11.304 -0.608 284 HA GLU 32 HA GLU 32 0.608 13.452 -0.316 285 HB2 GLU 32 HB2 GLU 32 -0.151 13.632 2.022 286 HB3 GLU 32 HB1 GLU 32 -1.497 13.535 0.901 287 HG2 GLU 32 HG2 GLU 32 -1.825 11.215 1.471 288 HG3 GLU 32 HG1 GLU 32 -0.455 11.270 2.577 289 H VAL 33 HN VAL 33 0.656 10.103 0.817 290 HA VAL 33 HA VAL 33 2.888 10.419 2.467 291 HB VAL 33 HB VAL 33 1.212 8.452 2.414 292 HG11 VAL 33 HG11 VAL 33 1.510 7.753 0.131 293 HG12 VAL 33 HG12 VAL 33 1.864 6.435 1.250 294 HG13 VAL 33 HG13 VAL 33 3.182 7.306 0.462 295 HG21 VAL 33 HG21 VAL 33 2.865 6.898 3.417 296 HG22 VAL 33 HG22 VAL 33 2.937 8.546 4.030 297 HG23 VAL 33 HG23 VAL 33 4.146 7.989 2.871 298 H LEU 34 HN LEU 34 2.617 9.927 -0.923 299 HA LEU 34 HA LEU 34 5.107 8.931 -1.612 300 HB2 LEU 34 HB2 LEU 34 3.327 10.821 -3.085 301 HB3 LEU 34 HB1 LEU 34 4.811 10.204 -3.774 302 HG LEU 34 HG LEU 34 2.417 8.556 -2.956 303 HD11 LEU 34 HD11 LEU 34 2.110 8.230 -5.341 304 HD12 LEU 34 HD12 LEU 34 3.506 9.262 -5.667 305 HD13 LEU 34 HD13 LEU 34 2.057 9.948 -4.943 306 HD21 LEU 34 HD21 LEU 34 4.440 7.276 -2.666 307 HD22 LEU 34 HD22 LEU 34 5.035 7.812 -4.233 308 HD23 LEU 34 HD23 LEU 34 3.641 6.742 -4.148 309 H GLU 35 HN GLU 35 4.400 12.192 -0.516 310 HA GLU 35 HA GLU 35 6.751 13.304 -1.669 311 HB2 GLU 35 HB2 GLU 35 6.447 15.226 -0.181 312 HB3 GLU 35 HB1 GLU 35 4.934 14.787 -0.951 313 HG2 GLU 35 HG2 GLU 35 4.148 13.762 1.077 314 HG3 GLU 35 HG1 GLU 35 5.710 14.023 1.851 315 H SER 36 HN SER 36 6.160 11.418 1.155 316 HA SER 36 HA SER 36 8.908 10.986 1.519 317 HB2 SER 36 HB2 SER 36 8.882 11.763 3.962 318 HB3 SER 36 HB1 SER 36 9.044 13.006 2.725 319 HG SER 36 HG SER 36 7.366 13.858 3.472 320 HA PRO 37 HA PRO 37 6.101 7.587 2.772 321 HB2 PRO 37 HB2 PRO 37 7.214 5.646 1.291 322 HB3 PRO 37 HB1 PRO 37 6.098 6.823 0.590 323 HG2 PRO 37 HG2 PRO 37 9.093 6.813 0.550 324 HG3 PRO 37 HG1 PRO 37 7.966 7.091 -0.792 325 HD2 PRO 37 HD2 PRO 37 9.176 9.118 0.526 326 HD3 PRO 37 HD1 PRO 37 7.533 9.258 -0.140 327 H ARG 38 HN ARG 38 8.983 8.484 3.629 328 HA ARG 38 HA ARG 38 10.046 6.040 4.783 329 HB2 ARG 38 HB2 ARG 38 11.759 7.715 5.779 330 HB3 ARG 38 HB1 ARG 38 11.792 7.396 4.060 331 HG2 ARG 38 HG2 ARG 38 12.144 9.767 4.511 332 HG3 ARG 38 HG1 ARG 38 10.650 9.522 3.629 333 HD2 ARG 38 HD2 ARG 38 10.413 11.232 5.368 334 HD3 ARG 38 HD1 ARG 38 9.365 9.855 5.682 335 HE ARG 38 HE ARG 38 11.675 9.389 7.083 336 HH11 ARG 38 HH11 ARG 38 9.255 12.010 7.050 337 HH12 ARG 38 HH12 ARG 38 9.329 12.299 8.711 338 HH21 ARG 38 HH21 ARG 38 11.762 9.814 9.441 339 HH22 ARG 38 HH22 ARG 38 10.790 11.049 10.083 340 H ILE 39 HN ILE 39 7.494 6.909 5.650 341 HA ILE 39 HA ILE 39 7.793 8.106 8.256 342 HB ILE 39 HB ILE 39 5.340 7.198 6.707 343 HG12 ILE 39 HG12 ILE 39 6.387 9.950 7.344 344 HG13 ILE 39 HG11 ILE 39 6.716 9.090 5.850 345 HG21 ILE 39 HG21 ILE 39 5.438 8.776 9.296 346 HG22 ILE 39 HG22 ILE 39 4.917 7.100 9.156 347 HG23 ILE 39 HG23 ILE 39 3.990 8.376 8.371 348 HD11 ILE 39 HD11 ILE 39 5.049 10.685 5.490 349 HD12 ILE 39 HD12 ILE 39 4.049 10.084 6.828 350 HD13 ILE 39 HD13 ILE 39 4.311 9.094 5.373 351 H GLU 40 HN GLU 40 8.814 6.759 9.499 352 HA GLU 40 HA GLU 40 8.642 3.997 9.584 353 HB2 GLU 40 HB2 GLU 40 9.826 4.160 11.761 354 HB3 GLU 40 HB1 GLU 40 10.564 5.080 10.461 355 HG2 GLU 40 HG2 GLU 40 9.667 7.127 11.330 356 HG3 GLU 40 HG1 GLU 40 8.778 6.247 12.571 357 H ALA 41 HN ALA 41 6.575 6.326 11.043 358 HA ALA 41 HA ALA 41 5.462 4.723 13.086 359 HB1 ALA 41 HB1 ALA 41 5.137 7.157 12.970 360 HB2 ALA 41 HB2 ALA 41 3.597 6.304 13.068 361 HB3 ALA 41 HB3 ALA 41 4.148 6.952 11.523 362 H ASN 42 HN ASN 42 5.134 4.618 9.673 363 HA ASN 42 HA ASN 42 2.731 2.933 9.847 364 HB2 ASN 42 HB2 ASN 42 4.002 4.347 7.500 365 HB3 ASN 42 HB1 ASN 42 2.703 3.180 7.331 366 HD21 ASN 42 HD21 ASN 42 2.764 5.948 6.566 367 HD22 ASN 42 HD22 ASN 42 1.476 6.718 7.414 368 H LYS 43 HN LYS 43 6.102 2.610 9.735 369 HA LYS 43 HA LYS 43 6.283 0.710 7.703 370 HB2 LYS 43 HB2 LYS 43 7.982 2.405 8.552 371 HB3 LYS 43 HB1 LYS 43 8.309 1.223 9.827 372 HG2 LYS 43 HG2 LYS 43 8.847 -0.409 8.216 373 HG3 LYS 43 HG1 LYS 43 8.332 0.714 6.941 374 HD2 LYS 43 HD2 LYS 43 10.164 2.274 7.649 375 HD3 LYS 43 HD1 LYS 43 10.739 1.013 8.748 376 HE2 LYS 43 HE2 LYS 43 11.150 -0.477 6.882 377 HE3 LYS 43 HE1 LYS 43 10.434 0.682 5.775 378 HZ1 LYS 43 HZ1 LYS 43 12.948 1.151 7.306 379 HZ2 LYS 43 HZ2 LYS 43 12.257 2.179 6.177 380 HZ3 LYS 43 HZ3 LYS 43 12.828 0.681 5.690 381 H LEU 44 HN LEU 44 6.397 -1.378 7.808 382 HA LEU 44 HA LEU 44 5.411 -2.767 10.120 383 HB2 LEU 44 HB2 LEU 44 6.259 -3.698 7.395 384 HB3 LEU 44 HB1 LEU 44 5.595 -4.758 8.625 385 HG LEU 44 HG LEU 44 4.156 -2.457 7.300 386 HD11 LEU 44 HD11 LEU 44 4.493 -4.361 5.808 387 HD12 LEU 44 HD12 LEU 44 2.803 -4.202 6.303 388 HD13 LEU 44 HD13 LEU 44 3.824 -5.434 7.042 389 HD21 LEU 44 HD21 LEU 44 3.374 -2.750 9.550 390 HD22 LEU 44 HD22 LEU 44 3.258 -4.496 9.304 391 HD23 LEU 44 HD23 LEU 44 2.211 -3.405 8.391 392 H ARG 45 HN ARG 45 6.546 -4.159 11.364 393 HA ARG 45 HA ARG 45 9.411 -3.874 11.248 394 HB2 ARG 45 HB2 ARG 45 7.697 -5.225 13.325 395 HB3 ARG 45 HB1 ARG 45 9.368 -4.735 13.484 396 HG2 ARG 45 HG2 ARG 45 6.960 -2.922 13.299 397 HG3 ARG 45 HG1 ARG 45 7.966 -3.210 14.713 398 HD2 ARG 45 HD2 ARG 45 8.819 -1.849 12.151 399 HD3 ARG 45 HD1 ARG 45 8.482 -1.055 13.682 400 HE ARG 45 HE ARG 45 10.617 -3.045 13.456 401 HH11 ARG 45 HH11 ARG 45 9.638 0.298 14.264 402 HH12 ARG 45 HH12 ARG 45 11.183 0.715 14.838 403 HH21 ARG 45 HH21 ARG 45 12.687 -2.394 14.158 404 HH22 ARG 45 HH22 ARG 45 12.957 -0.817 14.748 405 H GLY 46 HN GLY 46 10.606 -5.440 10.313 406 HA2 GLY 46 HA2 GLY 46 11.338 -7.642 9.969 407 HA3 GLY 46 HA1 GLY 46 9.803 -8.231 10.592 408 H MET 47 HN MET 47 9.582 -5.766 8.306 409 HA MET 47 HA MET 47 9.101 -7.676 6.139 410 HB2 MET 47 HB2 MET 47 7.457 -5.295 6.984 411 HB3 MET 47 HB1 MET 47 7.334 -5.985 5.377 412 HG2 MET 47 HG2 MET 47 6.840 -7.541 7.902 413 HG3 MET 47 HG1 MET 47 5.571 -6.698 7.023 414 HE1 MET 47 HE1 MET 47 6.402 -7.179 3.950 415 HE2 MET 47 HE2 MET 47 4.768 -7.334 4.580 416 HE3 MET 47 HE3 MET 47 5.461 -8.629 3.612 417 HA PRO 48 HA PRO 48 12.232 -5.196 4.242 418 HB2 PRO 48 HB2 PRO 48 11.607 -5.764 1.599 419 HB3 PRO 48 HB1 PRO 48 12.618 -6.767 2.641 420 HG2 PRO 48 HG2 PRO 48 9.732 -7.075 1.944 421 HG3 PRO 48 HG1 PRO 48 10.974 -8.318 2.164 422 HD2 PRO 48 HD2 PRO 48 9.118 -7.803 4.038 423 HD3 PRO 48 HD1 PRO 48 10.770 -8.290 4.466 424 H ASP 49 HN ASP 49 11.423 -3.272 4.888 425 HA ASP 49 HA ASP 49 10.636 -1.177 4.785 426 HB2 ASP 49 HB2 ASP 49 11.480 -1.497 1.908 427 HB3 ASP 49 HB1 ASP 49 11.063 0.047 2.646 428 H CYS 50 HN CYS 50 8.635 -2.819 4.896 429 HA CYS 50 HA CYS 50 6.664 -1.868 2.959 430 HB2 CYS 50 HB2 CYS 50 6.435 -4.036 5.041 431 HB3 CYS 50 HB1 CYS 50 5.251 -3.666 3.790 432 HG CYS 50 HG CYS 50 8.240 -4.288 2.482 433 H TYR 51 HN TYR 51 4.869 -0.775 3.588 434 HA TYR 51 HA TYR 51 4.735 0.166 6.364 435 HB2 TYR 51 HB2 TYR 51 4.392 1.850 3.859 436 HB3 TYR 51 HB1 TYR 51 4.115 2.406 5.496 437 HD1 TYR 51 HD2 TYR 51 6.822 1.016 3.324 438 HD2 TYR 51 HD1 TYR 51 5.845 3.501 6.619 439 HE1 TYR 51 HE2 TYR 51 9.160 1.756 3.447 440 HE2 TYR 51 HE1 TYR 51 8.184 4.251 6.746 441 HH TYR 51 HH TYR 51 10.460 3.620 4.285 442 H LYS 52 HN LYS 52 2.625 0.745 7.002 443 HA LYS 52 HA LYS 52 0.454 -0.252 5.284 444 HB2 LYS 52 HB2 LYS 52 -0.657 -1.092 7.329 445 HB3 LYS 52 HB1 LYS 52 0.900 -1.870 7.090 446 HG2 LYS 52 HG2 LYS 52 1.897 -0.295 8.747 447 HG3 LYS 52 HG1 LYS 52 0.277 0.367 8.973 448 HD2 LYS 52 HD2 LYS 52 -0.514 -1.631 9.971 449 HD3 LYS 52 HD1 LYS 52 0.905 -2.548 9.485 450 HE2 LYS 52 HE2 LYS 52 2.292 -1.098 10.941 451 HE3 LYS 52 HE1 LYS 52 0.827 -0.267 11.451 452 HZ1 LYS 52 HZ1 LYS 52 0.030 -2.345 12.403 453 HZ2 LYS 52 HZ2 LYS 52 1.512 -1.945 13.051 454 HZ3 LYS 52 HZ3 LYS 52 1.414 -3.155 11.891 455 H ILE 53 HN ILE 53 -1.293 1.053 5.198 456 HA ILE 53 HA ILE 53 -1.462 3.322 7.069 457 HB ILE 53 HB ILE 53 -2.237 3.342 4.109 458 HG12 ILE 53 HG12 ILE 53 -0.094 4.932 5.544 459 HG13 ILE 53 HG11 ILE 53 0.213 3.560 4.475 460 HG21 ILE 53 HG21 ILE 53 -2.809 5.714 4.429 461 HG22 ILE 53 HG22 ILE 53 -2.477 5.570 6.150 462 HG23 ILE 53 HG23 ILE 53 -3.814 4.676 5.437 463 HD11 ILE 53 HD11 ILE 53 0.654 5.633 3.338 464 HD12 ILE 53 HD12 ILE 53 -0.941 6.240 3.759 465 HD13 ILE 53 HD13 ILE 53 -0.786 4.893 2.629 466 H LYS 54 HN LYS 54 -3.587 3.777 7.777 467 HA LYS 54 HA LYS 54 -5.496 1.825 6.899 468 HB2 LYS 54 HB2 LYS 54 -6.498 1.553 9.122 469 HB3 LYS 54 HB1 LYS 54 -4.806 1.108 9.153 470 HG2 LYS 54 HG2 LYS 54 -5.854 3.766 10.085 471 HG3 LYS 54 HG1 LYS 54 -5.660 2.374 11.142 472 HD2 LYS 54 HD2 LYS 54 -3.300 2.363 10.803 473 HD3 LYS 54 HD1 LYS 54 -3.406 3.584 9.538 474 HE2 LYS 54 HE2 LYS 54 -4.320 5.124 11.119 475 HE3 LYS 54 HE1 LYS 54 -4.135 3.941 12.418 476 HZ1 LYS 54 HZ1 LYS 54 -2.280 5.502 12.405 477 HZ2 LYS 54 HZ2 LYS 54 -1.932 5.138 10.804 478 HZ3 LYS 54 HZ3 LYS 54 -1.724 3.968 11.993 479 H LEU 55 HN LEU 55 -7.563 2.510 6.652 480 HA LEU 55 HA LEU 55 -7.944 5.349 6.288 481 HB2 LEU 55 HB2 LEU 55 -8.639 3.242 4.840 482 HB3 LEU 55 HB1 LEU 55 -9.993 3.178 5.930 483 HG LEU 55 HG LEU 55 -9.349 5.470 4.070 484 HD11 LEU 55 HD11 LEU 55 -9.965 3.479 2.859 485 HD12 LEU 55 HD12 LEU 55 -11.288 4.645 2.800 486 HD13 LEU 55 HD13 LEU 55 -11.376 3.260 3.888 487 HD21 LEU 55 HD21 LEU 55 -11.829 4.936 5.706 488 HD22 LEU 55 HD22 LEU 55 -11.586 6.258 4.560 489 HD23 LEU 55 HD23 LEU 55 -10.625 6.186 6.042 490 H ARG 56 HN ARG 56 -9.322 6.608 7.610 491 HA ARG 56 HA ARG 56 -9.625 5.622 10.272 492 HB2 ARG 56 HB2 ARG 56 -10.398 8.280 9.090 493 HB3 ARG 56 HB1 ARG 56 -10.535 7.886 10.785 494 HG2 ARG 56 HG2 ARG 56 -7.994 8.039 9.172 495 HG3 ARG 56 HG1 ARG 56 -8.546 9.182 10.396 496 HD2 ARG 56 HD2 ARG 56 -7.698 6.317 10.808 497 HD3 ARG 56 HD1 ARG 56 -6.846 7.760 11.328 498 HE ARG 56 HE ARG 56 -9.502 7.532 12.395 499 HH11 ARG 56 HH11 ARG 56 -6.071 6.821 12.937 500 HH12 ARG 56 HH12 ARG 56 -6.274 6.413 14.573 501 HH21 ARG 56 HH21 ARG 56 -9.769 6.940 14.685 502 HH22 ARG 56 HH22 ARG 56 -8.384 6.464 15.561 503 H SER 57 HN SER 57 -12.031 6.894 7.991 504 HA SER 57 HA SER 57 -14.262 6.460 9.623 505 HB2 SER 57 HB2 SER 57 -14.209 7.982 7.659 506 HB3 SER 57 HB1 SER 57 -14.132 6.584 6.594 507 HG SER 57 HG SER 57 -16.196 7.317 8.359 508 H SER 58 HN SER 58 -13.395 4.619 6.704 509 HA SER 58 HA SER 58 -14.675 2.295 7.877 510 HB2 SER 58 HB2 SER 58 -14.442 1.513 5.421 511 HB3 SER 58 HB1 SER 58 -15.621 2.780 5.772 512 HG SER 58 HG SER 58 -12.982 3.155 4.824 513 H GLY 59 HN GLY 59 -13.391 0.725 8.596 514 HA2 GLY 59 HA2 GLY 59 -10.585 1.152 8.743 515 HA3 GLY 59 HA1 GLY 59 -11.473 -0.203 9.407 516 H TYR 60 HN TYR 60 -10.328 1.098 6.392 517 HA TYR 60 HA TYR 60 -9.679 -1.611 5.512 518 HB2 TYR 60 HB2 TYR 60 -10.121 0.930 3.944 519 HB3 TYR 60 HB1 TYR 60 -9.355 -0.487 3.238 520 HD1 TYR 60 HD2 TYR 60 -12.495 0.925 4.480 521 HD2 TYR 60 HD1 TYR 60 -10.624 -2.484 2.776 522 HE1 TYR 60 HE2 TYR 60 -14.704 -0.016 3.935 523 HE2 TYR 60 HE1 TYR 60 -12.819 -3.430 2.229 524 HH TYR 60 HH TYR 60 -15.582 -1.644 2.212 525 H ARG 61 HN ARG 61 -7.581 -2.009 4.806 526 HA ARG 61 HA ARG 61 -5.630 -0.021 5.699 527 HB2 ARG 61 HB2 ARG 61 -5.555 -3.009 6.079 528 HB3 ARG 61 HB1 ARG 61 -4.334 -1.861 6.616 529 HG2 ARG 61 HG2 ARG 61 -5.870 -0.882 8.188 530 HG3 ARG 61 HG1 ARG 61 -7.193 -1.874 7.568 531 HD2 ARG 61 HD2 ARG 61 -6.376 -2.820 9.612 532 HD3 ARG 61 HD1 ARG 61 -5.987 -3.864 8.249 533 HE ARG 61 HE ARG 61 -3.886 -2.075 8.770 534 HH11 ARG 61 HH11 ARG 61 -5.328 -5.004 10.158 535 HH12 ARG 61 HH12 ARG 61 -3.856 -5.647 10.711 536 HH21 ARG 61 HH21 ARG 61 -1.907 -2.920 9.533 537 HH22 ARG 61 HH22 ARG 61 -1.835 -4.433 10.331 538 H LEU 62 HN LEU 62 -3.696 -0.078 4.564 539 HA LEU 62 HA LEU 62 -3.624 -1.767 2.189 540 HB2 LEU 62 HB2 LEU 62 -4.583 0.475 1.661 541 HB3 LEU 62 HB1 LEU 62 -3.123 1.221 2.252 542 HG LEU 62 HG LEU 62 -3.072 -0.661 -0.112 543 HD11 LEU 62 HD11 LEU 62 -4.686 1.122 -0.578 544 HD12 LEU 62 HD12 LEU 62 -3.222 1.300 -1.537 545 HD13 LEU 62 HD13 LEU 62 -3.482 2.331 -0.124 546 HD21 LEU 62 HD21 LEU 62 -1.076 0.660 -0.669 547 HD22 LEU 62 HD22 LEU 62 -0.931 -0.134 0.899 548 HD23 LEU 62 HD23 LEU 62 -1.309 1.590 0.814 549 H VAL 63 HN VAL 63 -1.655 -2.587 1.789 550 HA VAL 63 HA VAL 63 0.589 -1.692 3.466 551 HB VAL 63 HB VAL 63 -0.034 -4.544 2.615 552 HG11 VAL 63 HG11 VAL 63 2.177 -3.479 4.364 553 HG12 VAL 63 HG12 VAL 63 2.359 -4.152 2.744 554 HG13 VAL 63 HG13 VAL 63 1.834 -5.184 4.075 555 HG21 VAL 63 HG21 VAL 63 -0.184 -3.276 5.352 556 HG22 VAL 63 HG22 VAL 63 -0.421 -4.990 5.001 557 HG23 VAL 63 HG23 VAL 63 -1.554 -3.795 4.370 558 H TYR 64 HN TYR 64 2.357 -1.175 2.366 559 HA TYR 64 HA TYR 64 2.734 -2.179 -0.351 560 HB2 TYR 64 HB2 TYR 64 3.315 0.095 -1.154 561 HB3 TYR 64 HB1 TYR 64 1.633 -0.058 -0.680 562 HD1 TYR 64 HD2 TYR 64 4.921 1.145 0.658 563 HD2 TYR 64 HD1 TYR 64 0.704 1.549 0.668 564 HE1 TYR 64 HE2 TYR 64 5.127 3.162 2.035 565 HE2 TYR 64 HE1 TYR 64 0.887 3.561 2.030 566 HH TYR 64 HH TYR 64 3.826 5.170 2.531 567 H GLN 65 HN GLN 65 4.930 -1.928 -1.105 568 HA GLN 65 HA GLN 65 6.822 -1.561 1.105 569 HB2 GLN 65 HB2 GLN 65 8.421 -2.930 -0.117 570 HB3 GLN 65 HB1 GLN 65 6.951 -3.837 0.172 571 HG2 GLN 65 HG2 GLN 65 6.252 -3.551 -2.116 572 HG3 GLN 65 HG1 GLN 65 7.607 -2.470 -2.427 573 HE21 GLN 65 HE21 GLN 65 9.554 -4.035 -0.989 574 HE22 GLN 65 HE22 GLN 65 9.845 -5.448 -1.934 575 H VAL 66 HN VAL 66 8.491 -0.190 0.842 576 HA VAL 66 HA VAL 66 8.206 1.581 -1.463 577 HB VAL 66 HB VAL 66 9.609 2.047 1.190 578 HG11 VAL 66 HG11 VAL 66 9.950 4.352 0.422 579 HG12 VAL 66 HG12 VAL 66 9.277 3.930 -1.157 580 HG13 VAL 66 HG13 VAL 66 10.787 3.197 -0.615 581 HG21 VAL 66 HG21 VAL 66 7.868 3.706 1.554 582 HG22 VAL 66 HG22 VAL 66 7.178 2.101 1.317 583 HG23 VAL 66 HG23 VAL 66 7.124 3.285 0.012 584 H ILE 67 HN ILE 67 9.469 1.099 -3.096 585 HA ILE 67 HA ILE 67 12.026 -0.165 -2.576 586 HB ILE 67 HB ILE 67 10.815 0.651 -5.241 587 HG12 ILE 67 HG12 ILE 67 10.652 -2.060 -3.890 588 HG13 ILE 67 HG11 ILE 67 9.323 -0.916 -4.015 589 HG21 ILE 67 HG21 ILE 67 13.225 0.238 -5.286 590 HG22 ILE 67 HG22 ILE 67 12.369 -1.037 -6.151 591 HG23 ILE 67 HG23 ILE 67 12.984 -1.337 -4.528 592 HD11 ILE 67 HD11 ILE 67 9.147 -2.682 -5.682 593 HD12 ILE 67 HD12 ILE 67 10.729 -2.225 -6.329 594 HD13 ILE 67 HD13 ILE 67 9.376 -1.106 -6.442 595 H ASP 68 HN ASP 68 13.225 1.449 -1.673 596 HA ASP 68 HA ASP 68 13.087 4.123 -2.543 597 HB2 ASP 68 HB2 ASP 68 14.793 4.566 -0.949 598 HB3 ASP 68 HB1 ASP 68 13.686 3.400 -0.239 599 H GLU 69 HN GLU 69 14.916 1.416 -3.418 600 HA GLU 69 HA GLU 69 17.200 2.443 -4.689 601 HB2 GLU 69 HB2 GLU 69 15.513 0.194 -5.753 602 HB3 GLU 69 HB1 GLU 69 17.235 0.423 -5.947 603 HG2 GLU 69 HG2 GLU 69 17.629 -0.143 -3.668 604 HG3 GLU 69 HG1 GLU 69 15.895 -0.159 -3.321 605 H LYS 70 HN LYS 70 13.908 1.981 -5.811 606 HA LYS 70 HA LYS 70 14.587 3.061 -8.451 607 HB2 LYS 70 HB2 LYS 70 12.340 1.281 -7.557 608 HB3 LYS 70 HB1 LYS 70 12.426 1.987 -9.168 609 HG2 LYS 70 HG2 LYS 70 14.492 0.796 -9.594 610 HG3 LYS 70 HG1 LYS 70 14.486 0.157 -7.951 611 HD2 LYS 70 HD2 LYS 70 12.452 -1.074 -8.396 612 HD3 LYS 70 HD1 LYS 70 12.331 -0.353 -10.002 613 HE2 LYS 70 HE2 LYS 70 13.220 -2.628 -10.119 614 HE3 LYS 70 HE1 LYS 70 14.406 -1.445 -10.660 615 HZ1 LYS 70 HZ1 LYS 70 14.370 -2.675 -7.952 616 HZ2 LYS 70 HZ2 LYS 70 15.573 -1.656 -8.591 617 HZ3 LYS 70 HZ3 LYS 70 15.335 -3.168 -9.233 618 H VAL 71 HN VAL 71 13.256 4.020 -5.620 619 HA VAL 71 HA VAL 71 12.106 5.838 -4.931 620 HB VAL 71 HB VAL 71 12.305 6.844 -7.820 621 HG11 VAL 71 HG11 VAL 71 12.257 9.105 -6.842 622 HG12 VAL 71 HG12 VAL 71 12.003 8.392 -5.245 623 HG13 VAL 71 HG13 VAL 71 10.787 8.189 -6.507 624 HG21 VAL 71 HG21 VAL 71 14.380 7.990 -7.159 625 HG22 VAL 71 HG22 VAL 71 14.529 6.239 -7.018 626 HG23 VAL 71 HG23 VAL 71 14.292 7.221 -5.576 627 H VAL 72 HN VAL 72 10.695 3.508 -5.679 628 HA VAL 72 HA VAL 72 8.154 4.709 -6.407 629 HB VAL 72 HB VAL 72 8.967 3.641 -8.469 630 HG11 VAL 72 HG11 VAL 72 10.426 1.979 -7.539 631 HG12 VAL 72 HG12 VAL 72 9.268 1.242 -8.652 632 HG13 VAL 72 HG13 VAL 72 9.042 1.081 -6.907 633 HG21 VAL 72 HG21 VAL 72 6.549 3.622 -8.092 634 HG22 VAL 72 HG22 VAL 72 6.690 2.083 -7.242 635 HG23 VAL 72 HG23 VAL 72 7.058 2.174 -8.964 636 H VAL 73 HN VAL 73 6.449 3.989 -5.363 637 HA VAL 73 HA VAL 73 6.871 2.175 -3.139 638 HB VAL 73 HB VAL 73 4.699 4.200 -3.757 639 HG11 VAL 73 HG11 VAL 73 3.919 3.810 -1.477 640 HG12 VAL 73 HG12 VAL 73 5.120 2.533 -1.288 641 HG13 VAL 73 HG13 VAL 73 3.813 2.349 -2.456 642 HG21 VAL 73 HG21 VAL 73 5.655 5.448 -1.849 643 HG22 VAL 73 HG22 VAL 73 6.769 5.280 -3.205 644 HG23 VAL 73 HG23 VAL 73 6.971 4.271 -1.777 645 H PHE 74 HN PHE 74 6.007 0.215 -3.273 646 HA PHE 74 HA PHE 74 4.287 -0.423 -5.568 647 HB2 PHE 74 HB2 PHE 74 6.585 -1.342 -5.546 648 HB3 PHE 74 HB1 PHE 74 6.240 -2.114 -4.011 649 HD1 PHE 74 HD2 PHE 74 5.452 -2.077 -7.582 650 HD2 PHE 74 HD1 PHE 74 5.130 -4.201 -3.924 651 HE1 PHE 74 HE2 PHE 74 4.743 -4.060 -8.808 652 HE2 PHE 74 HE1 PHE 74 4.415 -6.210 -5.146 653 HZ PHE 74 HZ PHE 74 4.220 -6.139 -7.599 654 H VAL 75 HN VAL 75 2.238 -0.621 -4.870 655 HA VAL 75 HA VAL 75 1.562 -1.438 -2.185 656 HB VAL 75 HB VAL 75 -0.242 -0.985 -4.585 657 HG11 VAL 75 HG11 VAL 75 -1.330 -2.417 -2.950 658 HG12 VAL 75 HG12 VAL 75 -2.082 -0.822 -2.942 659 HG13 VAL 75 HG13 VAL 75 -0.954 -1.275 -1.664 660 HG21 VAL 75 HG21 VAL 75 -0.767 1.168 -3.524 661 HG22 VAL 75 HG22 VAL 75 0.940 1.034 -3.950 662 HG23 VAL 75 HG23 VAL 75 0.434 0.834 -2.275 663 H ILE 76 HN ILE 76 1.121 -3.422 -1.485 664 HA ILE 76 HA ILE 76 1.155 -5.551 -3.529 665 HB ILE 76 HB ILE 76 1.794 -5.927 -0.600 666 HG12 ILE 76 HG12 ILE 76 3.796 -5.496 -2.827 667 HG13 ILE 76 HG11 ILE 76 3.353 -4.248 -1.665 668 HG21 ILE 76 HG21 ILE 76 1.255 -7.954 -1.791 669 HG22 ILE 76 HG22 ILE 76 3.017 -7.905 -1.551 670 HG23 ILE 76 HG23 ILE 76 2.327 -7.502 -3.114 671 HD11 ILE 76 HD11 ILE 76 4.634 -6.895 -1.016 672 HD12 ILE 76 HD12 ILE 76 4.204 -5.649 0.150 673 HD13 ILE 76 HD13 ILE 76 5.449 -5.334 -1.057 674 H SER 77 HN SER 77 -0.387 -4.506 -0.479 675 HA SER 77 HA SER 77 -2.600 -6.317 -1.083 676 HB2 SER 77 HB2 SER 77 -1.286 -5.963 1.622 677 HB3 SER 77 HB1 SER 77 -2.737 -6.913 1.310 678 HG SER 77 HG SER 77 -0.520 -7.958 1.365 679 H VAL 78 HN VAL 78 -4.603 -5.502 -0.591 680 HA VAL 78 HA VAL 78 -4.843 -3.119 0.962 681 HB VAL 78 HB VAL 78 -4.318 -2.206 -1.268 682 HG11 VAL 78 HG11 VAL 78 -6.737 -3.681 -2.250 683 HG12 VAL 78 HG12 VAL 78 -5.058 -4.002 -2.675 684 HG13 VAL 78 HG13 VAL 78 -5.820 -2.488 -3.167 685 HG21 VAL 78 HG21 VAL 78 -5.818 -0.939 0.145 686 HG22 VAL 78 HG22 VAL 78 -7.211 -1.788 -0.536 687 HG23 VAL 78 HG23 VAL 78 -6.230 -0.729 -1.554 688 H GLY 79 HN GLY 79 -6.762 -3.067 2.025 689 HA2 GLY 79 HA2 GLY 79 -9.247 -3.538 1.477 690 HA3 GLY 79 HA1 GLY 79 -8.658 -5.199 1.405 691 H LYS 80 HN LYS 80 -9.813 -5.881 3.191 692 HA LYS 80 HA LYS 80 -9.143 -4.564 5.704 693 HB2 LYS 80 HB2 LYS 80 -11.049 -6.854 5.189 694 HB3 LYS 80 HB1 LYS 80 -10.758 -6.081 6.737 695 HG2 LYS 80 HG2 LYS 80 -11.664 -3.981 5.844 696 HG3 LYS 80 HG1 LYS 80 -11.975 -4.786 4.306 697 HD2 LYS 80 HD2 LYS 80 -14.020 -4.741 5.578 698 HD3 LYS 80 HD1 LYS 80 -13.434 -6.403 5.504 699 HE2 LYS 80 HE2 LYS 80 -12.437 -6.104 7.770 700 HE3 LYS 80 HE1 LYS 80 -13.145 -4.490 7.822 701 HZ1 LYS 80 HZ1 LYS 80 -15.339 -5.525 7.676 702 HZ2 LYS 80 HZ2 LYS 80 -14.465 -6.087 9.004 703 HZ3 LYS 80 HZ3 LYS 80 -14.614 -7.058 7.655 704 H ALA 81 HN ALA 81 -7.936 -5.508 7.245 705 HA ALA 81 HA ALA 81 -6.683 -8.067 6.562 706 HB1 ALA 81 HB1 ALA 81 -4.826 -7.358 7.976 707 HB2 ALA 81 HB2 ALA 81 -5.676 -5.876 8.376 708 HB3 ALA 81 HB3 ALA 81 -5.118 -6.152 6.721 709 H GLU 82 HN GLU 82 -7.868 -9.545 7.598 710 HA GLU 82 HA GLU 82 -8.722 -8.821 10.309 711 HB2 GLU 82 HB2 GLU 82 -10.168 -10.665 8.403 712 HB3 GLU 82 HB1 GLU 82 -10.714 -10.197 10.012 713 HG2 GLU 82 HG2 GLU 82 -10.691 -7.812 9.216 714 HG3 GLU 82 HG1 GLU 82 -10.400 -8.430 7.603 715 H ALA 83 HN ALA 83 -7.380 -11.321 8.292 716 HA ALA 83 HA ALA 83 -6.929 -12.951 10.690 717 HB1 ALA 83 HB1 ALA 83 -6.486 -14.783 9.134 718 HB2 ALA 83 HB2 ALA 83 -6.699 -13.687 7.769 719 HB3 ALA 83 HB3 ALA 83 -8.065 -14.062 8.817 720 H SER 84 HN SER 84 -5.458 -10.508 9.300 721 HA SER 84 HA SER 84 -3.353 -9.676 9.157 722 HB2 SER 84 HB2 SER 84 -2.573 -12.173 10.701 723 HB3 SER 84 HB1 SER 84 -1.543 -10.757 10.485 724 HG SER 84 HG SER 84 -3.518 -11.206 12.247 725 H GLU 85 HN GLU 85 -4.503 -11.342 7.294 726 HA GLU 85 HA GLU 85 -2.762 -13.164 6.040 727 HB2 GLU 85 HB2 GLU 85 -4.462 -13.172 4.283 728 HB3 GLU 85 HB1 GLU 85 -5.175 -13.375 5.869 729 HG2 GLU 85 HG2 GLU 85 -5.149 -10.797 4.298 730 HG3 GLU 85 HG1 GLU 85 -6.502 -11.929 4.346 731 H VAL 86 HN VAL 86 -3.548 -9.787 5.663 732 HA VAL 86 HA VAL 86 -2.459 -9.323 3.139 733 HB VAL 86 HB VAL 86 -2.346 -6.938 3.693 734 HG11 VAL 86 HG11 VAL 86 -4.483 -7.872 3.032 735 HG12 VAL 86 HG12 VAL 86 -4.720 -6.605 4.235 736 HG13 VAL 86 HG13 VAL 86 -4.836 -8.300 4.706 737 HG21 VAL 86 HG21 VAL 86 -1.514 -7.090 5.984 738 HG22 VAL 86 HG22 VAL 86 -3.041 -7.800 6.505 739 HG23 VAL 86 HG23 VAL 86 -2.996 -6.135 5.925 740 H TYR 87 HN TYR 87 -0.797 -9.702 6.141 741 HA TYR 87 HA TYR 87 1.643 -8.412 5.289 742 HB2 TYR 87 HB2 TYR 87 1.250 -10.412 7.518 743 HB3 TYR 87 HB1 TYR 87 2.641 -9.371 7.288 744 HD1 TYR 87 HD1 TYR 87 2.057 -6.772 7.323 745 HD2 TYR 87 HD2 TYR 87 -0.332 -9.833 9.022 746 HE1 TYR 87 HE1 TYR 87 1.055 -5.133 8.868 747 HE2 TYR 87 HE2 TYR 87 -1.344 -8.215 10.558 748 HH TYR 87 HH TYR 87 -0.777 -6.101 11.549 749 H SER 88 HN SER 88 0.538 -11.732 5.805 750 HA SER 88 HA SER 88 2.846 -13.042 5.018 751 HB2 SER 88 HB2 SER 88 -0.006 -14.010 4.922 752 HB3 SER 88 HB1 SER 88 1.451 -15.002 5.059 753 HG SER 88 HG SER 88 0.368 -14.563 7.074 754 H GLU 89 HN GLU 89 -0.073 -12.140 3.186 755 HA GLU 89 HA GLU 89 0.695 -13.409 0.782 756 HB2 GLU 89 HB2 GLU 89 -1.055 -10.977 1.117 757 HB3 GLU 89 HB1 GLU 89 -0.968 -11.997 -0.304 758 HG2 GLU 89 HG2 GLU 89 -1.830 -13.874 1.060 759 HG3 GLU 89 HG1 GLU 89 -2.025 -12.749 2.405 760 H ALA 90 HN ALA 90 1.485 -10.362 2.218 761 HA ALA 90 HA ALA 90 2.469 -9.149 -0.144 762 HB1 ALA 90 HB1 ALA 90 3.369 -7.411 1.323 763 HB2 ALA 90 HB2 ALA 90 3.035 -8.421 2.729 764 HB3 ALA 90 HB3 ALA 90 1.703 -7.803 1.754 765 H VAL 91 HN VAL 91 4.071 -10.594 2.682 766 HA VAL 91 HA VAL 91 6.662 -10.241 1.643 767 HB VAL 91 HB VAL 91 6.239 -10.596 4.059 768 HG11 VAL 91 HG11 VAL 91 5.725 -13.471 3.364 769 HG12 VAL 91 HG12 VAL 91 4.557 -12.306 3.981 770 HG13 VAL 91 HG13 VAL 91 5.907 -12.820 4.996 771 HG21 VAL 91 HG21 VAL 91 8.157 -12.585 2.861 772 HG22 VAL 91 HG22 VAL 91 8.171 -12.043 4.538 773 HG23 VAL 91 HG23 VAL 91 8.496 -10.896 3.238 774 H LYS 92 HN LYS 92 4.389 -12.882 1.306 775 HA LYS 92 HA LYS 92 6.277 -14.576 -0.012 776 HB2 LYS 92 HB2 LYS 92 3.283 -14.784 0.258 777 HB3 LYS 92 HB1 LYS 92 4.273 -16.007 -0.523 778 HG2 LYS 92 HG2 LYS 92 4.450 -15.146 2.368 779 HG3 LYS 92 HG1 LYS 92 3.734 -16.639 1.770 780 HD2 LYS 92 HD2 LYS 92 6.658 -15.867 1.484 781 HD3 LYS 92 HD1 LYS 92 6.002 -16.969 2.680 782 HE2 LYS 92 HE2 LYS 92 5.836 -17.382 -0.310 783 HE3 LYS 92 HE1 LYS 92 7.013 -18.141 0.754 784 HZ1 LYS 92 HZ1 LYS 92 5.235 -19.249 1.915 785 HZ2 LYS 92 HZ2 LYS 92 5.129 -19.608 0.295 786 HZ3 LYS 92 HZ3 LYS 92 4.065 -18.494 0.976 787 H ARG 93 HN ARG 93 4.539 -11.917 -1.020 788 HA ARG 93 HA ARG 93 4.485 -12.696 -3.804 789 HB2 ARG 93 HB2 ARG 93 2.696 -11.237 -2.956 790 HB3 ARG 93 HB1 ARG 93 3.885 -10.050 -2.456 791 HG2 ARG 93 HG2 ARG 93 2.748 -9.364 -4.497 792 HG3 ARG 93 HG1 ARG 93 4.463 -9.636 -4.794 793 HD2 ARG 93 HD2 ARG 93 3.960 -11.826 -5.741 794 HD3 ARG 93 HD1 ARG 93 2.242 -11.588 -5.414 795 HE ARG 93 HE ARG 93 2.848 -9.443 -6.929 796 HH11 ARG 93 HH11 ARG 93 3.498 -12.871 -7.469 797 HH12 ARG 93 HH12 ARG 93 3.365 -12.754 -9.157 798 HH21 ARG 93 HH21 ARG 93 2.702 -9.273 -9.105 799 HH22 ARG 93 HH22 ARG 93 2.903 -10.599 -10.170 800 H ILE 94 HN ILE 94 6.410 -10.910 -1.601 801 HA ILE 94 HA ILE 94 8.140 -9.724 -3.564 802 HB ILE 94 HB ILE 94 8.530 -10.076 -0.579 803 HG12 ILE 94 HG12 ILE 94 7.522 -7.654 -2.066 804 HG13 ILE 94 HG11 ILE 94 6.462 -8.841 -1.312 805 HG21 ILE 94 HG21 ILE 94 10.121 -8.203 -0.797 806 HG22 ILE 94 HG22 ILE 94 9.872 -8.201 -2.542 807 HG23 ILE 94 HG23 ILE 94 10.626 -9.590 -1.762 808 HD11 ILE 94 HD11 ILE 94 8.506 -7.151 0.093 809 HD12 ILE 94 HD12 ILE 94 7.434 -8.362 0.827 810 HD13 ILE 94 HD13 ILE 94 6.749 -6.917 0.086 811 H LEU 95 HN LEU 95 8.380 -12.355 -1.209 812 HA LEU 95 HA LEU 95 10.986 -13.167 -2.025 813 HB2 LEU 95 HB2 LEU 95 8.926 -14.581 -0.340 814 HB3 LEU 95 HB1 LEU 95 10.579 -15.106 -0.563 815 HG LEU 95 HG LEU 95 9.686 -12.583 0.822 816 HD11 LEU 95 HD11 LEU 95 10.911 -15.121 1.882 817 HD12 LEU 95 HD12 LEU 95 9.245 -14.589 2.110 818 HD13 LEU 95 HD13 LEU 95 10.568 -13.669 2.823 819 HD21 LEU 95 HD21 LEU 95 12.056 -12.331 1.428 820 HD22 LEU 95 HD22 LEU 95 11.802 -12.210 -0.309 821 HD23 LEU 95 HD23 LEU 95 12.460 -13.695 0.383 Start of MODEL 5 1 H MET 1 H MET 1 11.985 16.119 -2.491 2 HA MET 1 HA MET 1 10.942 15.210 -4.446 3 HB2 MET 1 HB2 MET 1 12.383 13.265 -4.784 4 HB3 MET 1 HB1 MET 1 13.279 14.525 -3.961 5 HG2 MET 1 HG2 MET 1 12.953 13.321 -1.825 6 HG3 MET 1 HG1 MET 1 12.101 12.055 -2.699 7 HE1 MET 1 HE1 MET 1 14.941 10.556 -4.956 8 HE2 MET 1 HE2 MET 1 13.846 11.853 -5.417 9 HE3 MET 1 HE3 MET 1 13.239 10.469 -4.503 10 H ALA 2 HN ALA 2 9.541 13.815 -5.360 11 HA ALA 2 HA ALA 2 7.864 12.347 -3.492 12 HB1 ALA 2 HB1 ALA 2 7.384 13.136 -6.365 13 HB2 ALA 2 HB2 ALA 2 6.755 13.976 -4.949 14 HB3 ALA 2 HB3 ALA 2 6.222 12.333 -5.309 15 H TYR 3 HN TYR 3 7.311 10.243 -3.919 16 HA TYR 3 HA TYR 3 9.235 8.764 -5.552 17 HB2 TYR 3 HB2 TYR 3 7.406 7.833 -3.310 18 HB3 TYR 3 HB1 TYR 3 8.480 6.783 -4.222 19 HD1 TYR 3 HD2 TYR 3 8.662 9.943 -2.224 20 HD2 TYR 3 HD1 TYR 3 10.526 6.238 -3.200 21 HE1 TYR 3 HE2 TYR 3 10.411 10.415 -0.594 22 HE2 TYR 3 HE1 TYR 3 12.300 6.709 -1.545 23 HH TYR 3 HH TYR 3 13.301 8.680 -0.410 24 H PHE 4 HN PHE 4 8.332 6.946 -6.779 25 HA PHE 4 HA PHE 4 5.916 7.744 -8.146 26 HB2 PHE 4 HB2 PHE 4 7.847 5.462 -8.526 27 HB3 PHE 4 HB1 PHE 4 6.428 5.671 -9.537 28 HD1 PHE 4 HD1 PHE 4 6.256 7.694 -10.963 29 HD2 PHE 4 HD2 PHE 4 9.815 6.713 -8.856 30 HE1 PHE 4 HE1 PHE 4 7.527 9.197 -12.426 31 HE2 PHE 4 HE2 PHE 4 11.093 8.221 -10.313 32 HZ PHE 4 HZ PHE 4 9.939 9.467 -12.107 33 H LEU 5 HN LEU 5 4.140 6.203 -8.495 34 HA LEU 5 HA LEU 5 3.820 4.328 -6.241 35 HB2 LEU 5 HB2 LEU 5 2.460 6.559 -6.214 36 HB3 LEU 5 HB1 LEU 5 1.548 5.857 -7.521 37 HG LEU 5 HG LEU 5 0.352 5.679 -5.398 38 HD11 LEU 5 HD11 LEU 5 -0.144 3.925 -6.946 39 HD12 LEU 5 HD12 LEU 5 -0.101 3.281 -5.292 40 HD13 LEU 5 HD13 LEU 5 1.251 3.000 -6.379 41 HD21 LEU 5 HD21 LEU 5 1.168 4.186 -3.619 42 HD22 LEU 5 HD22 LEU 5 2.133 5.638 -3.823 43 HD23 LEU 5 HD23 LEU 5 2.716 4.092 -4.451 44 H ASP 6 HN ASP 6 3.408 2.285 -6.901 45 HA ASP 6 HA ASP 6 2.048 1.878 -9.453 46 HB2 ASP 6 HB2 ASP 6 4.562 1.637 -9.810 47 HB3 ASP 6 HB1 ASP 6 4.484 0.307 -8.653 48 H PHE 7 HN PHE 7 1.105 -0.238 -9.598 49 HA PHE 7 HA PHE 7 0.441 -1.319 -6.926 50 HB2 PHE 7 HB2 PHE 7 -1.320 -1.155 -9.377 51 HB3 PHE 7 HB1 PHE 7 -1.747 -1.978 -7.892 52 HD1 PHE 7 HD1 PHE 7 -2.377 -0.708 -5.921 53 HD2 PHE 7 HD2 PHE 7 -1.367 1.244 -9.562 54 HE1 PHE 7 HE1 PHE 7 -3.436 1.358 -5.104 55 HE2 PHE 7 HE2 PHE 7 -2.413 3.315 -8.749 56 HZ PHE 7 HZ PHE 7 -3.452 3.374 -6.520 57 H ASP 8 HN ASP 8 0.492 -3.491 -6.666 58 HA ASP 8 HA ASP 8 1.596 -5.177 -8.694 59 HB2 ASP 8 HB2 ASP 8 2.045 -5.593 -6.293 60 HB3 ASP 8 HB1 ASP 8 0.329 -5.909 -6.036 61 H GLU 9 HN GLU 9 0.519 -7.065 -9.546 62 HA GLU 9 HA GLU 9 -1.908 -6.577 -10.784 63 HB2 GLU 9 HB2 GLU 9 -1.937 -8.961 -11.352 64 HB3 GLU 9 HB1 GLU 9 -0.329 -8.281 -11.571 65 HG2 GLU 9 HG2 GLU 9 0.410 -9.274 -9.497 66 HG3 GLU 9 HG1 GLU 9 -1.217 -9.855 -9.168 67 H ARG 10 HN ARG 10 -1.255 -8.190 -7.653 68 HA ARG 10 HA ARG 10 -3.931 -9.113 -7.263 69 HB2 ARG 10 HB2 ARG 10 -1.812 -8.518 -5.193 70 HB3 ARG 10 HB1 ARG 10 -3.297 -9.403 -4.915 71 HG2 ARG 10 HG2 ARG 10 -2.495 -11.135 -6.485 72 HG3 ARG 10 HG1 ARG 10 -0.966 -10.254 -6.613 73 HD2 ARG 10 HD2 ARG 10 -0.706 -10.421 -4.160 74 HD3 ARG 10 HD1 ARG 10 -2.180 -11.381 -4.099 75 HE ARG 10 HE ARG 10 -0.094 -12.383 -5.821 76 HH11 ARG 10 HH11 ARG 10 -1.796 -12.660 -2.711 77 HH12 ARG 10 HH12 ARG 10 -0.947 -14.055 -2.226 78 HH21 ARG 10 HH21 ARG 10 1.032 -14.361 -5.128 79 HH22 ARG 10 HH22 ARG 10 0.693 -15.036 -3.610 80 H ALA 11 HN ALA 11 -2.068 -6.346 -6.248 81 HA ALA 11 HA ALA 11 -3.925 -5.153 -4.557 82 HB1 ALA 11 HB1 ALA 11 -1.567 -4.506 -4.626 83 HB2 ALA 11 HB2 ALA 11 -2.627 -3.109 -4.828 84 HB3 ALA 11 HB3 ALA 11 -1.812 -3.811 -6.226 85 H LEU 12 HN LEU 12 -3.631 -5.058 -8.042 86 HA LEU 12 HA LEU 12 -5.385 -2.856 -8.418 87 HB2 LEU 12 HB2 LEU 12 -4.358 -5.004 -10.219 88 HB3 LEU 12 HB1 LEU 12 -5.561 -3.859 -10.759 89 HG LEU 12 HG LEU 12 -2.828 -3.092 -9.726 90 HD11 LEU 12 HD11 LEU 12 -2.673 -4.352 -11.815 91 HD12 LEU 12 HD12 LEU 12 -2.299 -2.646 -12.071 92 HD13 LEU 12 HD13 LEU 12 -3.873 -3.286 -12.546 93 HD21 LEU 12 HD21 LEU 12 -4.519 -1.331 -9.443 94 HD22 LEU 12 HD22 LEU 12 -4.989 -1.511 -11.125 95 HD23 LEU 12 HD23 LEU 12 -3.382 -0.907 -10.722 96 H LYS 13 HN LYS 13 -5.810 -6.287 -8.225 97 HA LYS 13 HA LYS 13 -8.499 -6.385 -9.137 98 HB2 LYS 13 HB2 LYS 13 -7.082 -8.243 -7.222 99 HB3 LYS 13 HB1 LYS 13 -8.518 -8.613 -8.164 100 HG2 LYS 13 HG2 LYS 13 -7.296 -8.590 -10.193 101 HG3 LYS 13 HG1 LYS 13 -5.872 -7.920 -9.394 102 HD2 LYS 13 HD2 LYS 13 -5.710 -9.910 -8.036 103 HD3 LYS 13 HD1 LYS 13 -7.064 -10.651 -8.913 104 HE2 LYS 13 HE2 LYS 13 -4.375 -9.813 -10.018 105 HE3 LYS 13 HE1 LYS 13 -4.942 -11.463 -9.781 106 HZ1 LYS 13 HZ1 LYS 13 -6.679 -11.010 -11.454 107 HZ2 LYS 13 HZ2 LYS 13 -5.138 -10.850 -12.084 108 HZ3 LYS 13 HZ3 LYS 13 -6.029 -9.482 -11.720 109 H GLU 14 HN GLU 14 -6.925 -6.227 -5.981 110 HA GLU 14 HA GLU 14 -9.264 -6.205 -4.452 111 HB2 GLU 14 HB2 GLU 14 -6.532 -5.130 -3.787 112 HB3 GLU 14 HB1 GLU 14 -7.810 -5.481 -2.631 113 HG2 GLU 14 HG2 GLU 14 -6.413 -7.459 -4.399 114 HG3 GLU 14 HG1 GLU 14 -6.164 -7.260 -2.669 115 H TRP 15 HN TRP 15 -7.276 -3.655 -5.824 116 HA TRP 15 HA TRP 15 -8.454 -1.417 -4.634 117 HB2 TRP 15 HB2 TRP 15 -6.313 -1.496 -5.895 118 HB3 TRP 15 HB1 TRP 15 -7.219 -1.703 -7.386 119 HD1 TRP 15 HD1 TRP 15 -7.887 0.462 -8.609 120 HE1 TRP 15 HE1 TRP 15 -7.641 2.980 -8.089 121 HE3 TRP 15 HE3 TRP 15 -6.377 0.149 -3.742 122 HZ2 TRP 15 HZ2 TRP 15 -6.894 4.602 -5.913 123 HZ3 TRP 15 HZ3 TRP 15 -5.913 2.230 -2.518 124 HH2 TRP 15 HH2 TRP 15 -6.168 4.402 -3.580 125 H ARG 16 HN ARG 16 -9.295 -3.235 -7.523 126 HA ARG 16 HA ARG 16 -11.473 -1.559 -8.306 127 HB2 ARG 16 HB2 ARG 16 -10.703 -4.376 -9.017 128 HB3 ARG 16 HB1 ARG 16 -12.104 -3.566 -9.708 129 HG2 ARG 16 HG2 ARG 16 -10.722 -1.932 -10.760 130 HG3 ARG 16 HG1 ARG 16 -9.292 -2.519 -9.908 131 HD2 ARG 16 HD2 ARG 16 -9.421 -3.279 -12.269 132 HD3 ARG 16 HD1 ARG 16 -9.360 -4.589 -11.096 133 HE ARG 16 HE ARG 16 -11.729 -4.876 -11.399 134 HH11 ARG 16 HH11 ARG 16 -10.137 -2.941 -13.903 135 HH12 ARG 16 HH12 ARG 16 -11.164 -3.442 -15.162 136 HH21 ARG 16 HH21 ARG 16 -13.176 -5.539 -13.134 137 HH22 ARG 16 HH22 ARG 16 -12.929 -4.953 -14.710 138 H LYS 17 HN LYS 17 -11.137 -4.452 -6.384 139 HA LYS 17 HA LYS 17 -13.938 -4.888 -6.015 140 HB2 LYS 17 HB2 LYS 17 -12.370 -6.735 -6.034 141 HB3 LYS 17 HB1 LYS 17 -11.461 -6.051 -4.714 142 HG2 LYS 17 HG2 LYS 17 -14.310 -6.883 -4.296 143 HG3 LYS 17 HG1 LYS 17 -13.045 -8.103 -4.351 144 HD2 LYS 17 HD2 LYS 17 -13.134 -5.737 -2.469 145 HD3 LYS 17 HD1 LYS 17 -13.585 -7.385 -2.046 146 HE2 LYS 17 HE2 LYS 17 -10.820 -6.435 -2.881 147 HE3 LYS 17 HE1 LYS 17 -11.328 -6.880 -1.266 148 HZ1 LYS 17 HZ1 LYS 17 -11.639 -9.156 -1.988 149 HZ2 LYS 17 HZ2 LYS 17 -10.075 -8.614 -2.369 150 HZ3 LYS 17 HZ3 LYS 17 -11.222 -8.738 -3.584 151 H LEU 18 HN LEU 18 -11.679 -2.838 -4.563 152 HA LEU 18 HA LEU 18 -13.017 -2.479 -2.083 153 HB2 LEU 18 HB2 LEU 18 -10.694 -1.362 -3.395 154 HB3 LEU 18 HB1 LEU 18 -11.656 -0.117 -2.633 155 HG LEU 18 HG LEU 18 -9.983 -0.748 -1.112 156 HD11 LEU 18 HD11 LEU 18 -11.210 -1.480 0.810 157 HD12 LEU 18 HD12 LEU 18 -12.527 -2.026 -0.212 158 HD13 LEU 18 HD13 LEU 18 -12.121 -0.308 -0.139 159 HD21 LEU 18 HD21 LEU 18 -9.374 -2.929 -2.022 160 HD22 LEU 18 HD22 LEU 18 -10.885 -3.609 -1.418 161 HD23 LEU 18 HD23 LEU 18 -9.661 -3.038 -0.287 162 H GLY 19 HN GLY 19 -14.294 -0.789 -1.447 163 HA2 GLY 19 HA2 GLY 19 -16.233 0.160 -3.230 164 HA3 GLY 19 HA1 GLY 19 -15.872 0.717 -1.582 165 H SER 20 HN SER 20 -16.391 2.060 -4.324 166 HA SER 20 HA SER 20 -14.218 3.402 -5.291 167 HB2 SER 20 HB2 SER 20 -17.008 4.502 -4.949 168 HB3 SER 20 HB1 SER 20 -15.817 4.993 -6.157 169 HG SER 20 HG SER 20 -16.499 3.470 -7.336 170 H THR 21 HN THR 21 -16.313 4.316 -2.649 171 HA THR 21 HA THR 21 -15.232 6.836 -2.064 172 HB THR 21 HB THR 21 -16.618 4.878 -0.237 173 HG1 THR 21 HG1 THR 21 -17.422 6.476 -2.341 174 HG21 THR 21 HG21 THR 21 -15.582 6.758 0.973 175 HG22 THR 21 HG22 THR 21 -17.339 6.925 0.973 176 HG23 THR 21 HG23 THR 21 -16.355 7.883 -0.138 177 H VAL 22 HN VAL 22 -14.533 3.617 -0.831 178 HA VAL 22 HA VAL 22 -12.745 4.410 1.227 179 HB VAL 22 HB VAL 22 -12.996 1.744 -0.185 180 HG11 VAL 22 HG11 VAL 22 -11.751 2.438 2.468 181 HG12 VAL 22 HG12 VAL 22 -10.891 1.938 1.011 182 HG13 VAL 22 HG13 VAL 22 -11.966 0.808 1.837 183 HG21 VAL 22 HG21 VAL 22 -14.387 1.088 1.726 184 HG22 VAL 22 HG22 VAL 22 -15.102 2.423 0.820 185 HG23 VAL 22 HG23 VAL 22 -14.286 2.733 2.353 186 H ARG 23 HN ARG 23 -12.334 3.124 -2.039 187 HA ARG 23 HA ARG 23 -9.545 3.271 -1.898 188 HB2 ARG 23 HB2 ARG 23 -9.489 2.904 -4.328 189 HB3 ARG 23 HB1 ARG 23 -10.459 1.730 -3.459 190 HG2 ARG 23 HG2 ARG 23 -12.426 2.594 -4.239 191 HG3 ARG 23 HG1 ARG 23 -11.726 4.097 -4.817 192 HD2 ARG 23 HD2 ARG 23 -10.368 2.743 -6.372 193 HD3 ARG 23 HD1 ARG 23 -11.248 1.298 -5.864 194 HE ARG 23 HE ARG 23 -12.491 3.628 -7.152 195 HH11 ARG 23 HH11 ARG 23 -12.381 0.108 -6.644 196 HH12 ARG 23 HH12 ARG 23 -13.522 -0.232 -7.866 197 HH21 ARG 23 HH21 ARG 23 -14.028 3.123 -8.857 198 HH22 ARG 23 HH22 ARG 23 -14.466 1.507 -9.138 199 H GLU 24 HN GLU 24 -11.927 5.635 -2.963 200 HA GLU 24 HA GLU 24 -10.097 7.460 -4.025 201 HB2 GLU 24 HB2 GLU 24 -12.707 7.918 -2.600 202 HB3 GLU 24 HB1 GLU 24 -11.755 9.229 -3.284 203 HG2 GLU 24 HG2 GLU 24 -12.889 6.894 -4.779 204 HG3 GLU 24 HG1 GLU 24 -13.525 8.540 -4.787 205 H GLN 25 HN GLN 25 -11.073 6.896 -0.695 206 HA GLN 25 HA GLN 25 -9.602 9.055 0.417 207 HB2 GLN 25 HB2 GLN 25 -10.344 6.421 1.664 208 HB3 GLN 25 HB1 GLN 25 -9.802 7.839 2.584 209 HG2 GLN 25 HG2 GLN 25 -12.328 7.350 1.049 210 HG3 GLN 25 HG1 GLN 25 -12.136 7.493 2.789 211 HE21 GLN 25 HE21 GLN 25 -13.785 8.907 0.908 212 HE22 GLN 25 HE22 GLN 25 -13.395 10.561 1.144 213 H LEU 26 HN LEU 26 -8.884 5.637 -0.046 214 HA LEU 26 HA LEU 26 -6.271 5.617 0.970 215 HB2 LEU 26 HB2 LEU 26 -7.561 3.916 -1.145 216 HB3 LEU 26 HB1 LEU 26 -6.003 3.569 -0.432 217 HG LEU 26 HG LEU 26 -8.593 3.694 1.124 218 HD11 LEU 26 HD11 LEU 26 -8.440 1.259 1.227 219 HD12 LEU 26 HD12 LEU 26 -7.053 1.305 0.136 220 HD13 LEU 26 HD13 LEU 26 -8.639 1.833 -0.428 221 HD21 LEU 26 HD21 LEU 26 -7.278 2.588 2.886 222 HD22 LEU 26 HD22 LEU 26 -6.642 4.183 2.494 223 HD23 LEU 26 HD23 LEU 26 -5.832 2.737 1.888 224 H LYS 27 HN LYS 27 -7.473 6.175 -2.292 225 HA LYS 27 HA LYS 27 -5.109 6.485 -3.709 226 HB2 LYS 27 HB2 LYS 27 -7.346 6.491 -4.702 227 HB3 LYS 27 HB1 LYS 27 -7.674 8.052 -3.975 228 HG2 LYS 27 HG2 LYS 27 -5.698 8.917 -5.285 229 HG3 LYS 27 HG1 LYS 27 -5.730 7.389 -6.179 230 HD2 LYS 27 HD2 LYS 27 -6.977 8.946 -7.473 231 HD3 LYS 27 HD1 LYS 27 -8.171 7.916 -6.679 232 HE2 LYS 27 HE2 LYS 27 -8.451 9.646 -4.925 233 HE3 LYS 27 HE1 LYS 27 -7.295 10.663 -5.770 234 HZ1 LYS 27 HZ1 LYS 27 -9.450 11.385 -6.389 235 HZ2 LYS 27 HZ2 LYS 27 -10.017 9.856 -6.650 236 HZ3 LYS 27 HZ3 LYS 27 -8.891 10.525 -7.725 237 H LYS 28 HN LYS 28 -6.952 8.889 -1.857 238 HA LYS 28 HA LYS 28 -5.361 11.166 -2.289 239 HB2 LYS 28 HB2 LYS 28 -6.751 10.400 0.279 240 HB3 LYS 28 HB1 LYS 28 -6.158 11.994 -0.131 241 HG2 LYS 28 HG2 LYS 28 -7.822 12.212 -1.851 242 HG3 LYS 28 HG1 LYS 28 -8.364 10.548 -1.572 243 HD2 LYS 28 HD2 LYS 28 -8.911 11.139 0.760 244 HD3 LYS 28 HD1 LYS 28 -8.428 12.799 0.434 245 HE2 LYS 28 HE2 LYS 28 -10.205 13.039 -1.178 246 HE3 LYS 28 HE1 LYS 28 -10.642 11.338 -0.988 247 HZ1 LYS 28 HZ1 LYS 28 -11.225 11.779 1.319 248 HZ2 LYS 28 HZ2 LYS 28 -12.094 12.790 0.304 249 HZ3 LYS 28 HZ3 LYS 28 -10.790 13.395 1.155 250 H LYS 29 HN LYS 29 -5.181 8.612 0.104 251 HA LYS 29 HA LYS 29 -3.020 9.659 1.503 252 HB2 LYS 29 HB2 LYS 29 -4.362 7.027 1.481 253 HB3 LYS 29 HB1 LYS 29 -2.735 7.080 2.136 254 HG2 LYS 29 HG2 LYS 29 -4.398 7.313 3.893 255 HG3 LYS 29 HG1 LYS 29 -3.429 8.775 3.739 256 HD2 LYS 29 HD2 LYS 29 -5.261 9.774 2.413 257 HD3 LYS 29 HD1 LYS 29 -6.229 8.332 2.725 258 HE2 LYS 29 HE2 LYS 29 -6.814 10.062 4.316 259 HE3 LYS 29 HE1 LYS 29 -5.981 8.716 5.116 260 HZ1 LYS 29 HZ1 LYS 29 -4.004 9.951 5.250 261 HZ2 LYS 29 HZ2 LYS 29 -5.202 10.935 5.842 262 HZ3 LYS 29 HZ3 LYS 29 -4.570 11.198 4.277 263 H LEU 30 HN LEU 30 -3.112 7.465 -1.160 264 HA LEU 30 HA LEU 30 -0.367 6.890 -1.194 265 HB2 LEU 30 HB2 LEU 30 -2.283 7.080 -3.516 266 HB3 LEU 30 HB1 LEU 30 -0.711 6.312 -3.557 267 HG LEU 30 HG LEU 30 -3.075 5.414 -1.925 268 HD11 LEU 30 HD11 LEU 30 -1.778 4.222 -4.359 269 HD12 LEU 30 HD12 LEU 30 -3.366 4.978 -4.282 270 HD13 LEU 30 HD13 LEU 30 -3.064 3.477 -3.414 271 HD21 LEU 30 HD21 LEU 30 -0.307 4.236 -2.189 272 HD22 LEU 30 HD22 LEU 30 -1.677 3.445 -1.420 273 HD23 LEU 30 HD23 LEU 30 -1.028 4.935 -0.737 274 H VAL 31 HN VAL 31 -2.270 9.415 -2.712 275 HA VAL 31 HA VAL 31 -0.157 10.588 -4.158 276 HB VAL 31 HB VAL 31 -2.765 11.844 -3.227 277 HG11 VAL 31 HG11 VAL 31 -2.421 13.416 -5.072 278 HG12 VAL 31 HG12 VAL 31 -0.822 12.716 -5.360 279 HG13 VAL 31 HG13 VAL 31 -1.174 13.536 -3.833 280 HG21 VAL 31 HG21 VAL 31 -2.039 10.492 -5.817 281 HG22 VAL 31 HG22 VAL 31 -3.576 11.295 -5.444 282 HG23 VAL 31 HG23 VAL 31 -3.080 9.864 -4.534 283 H GLU 32 HN GLU 32 -1.543 11.392 -0.967 284 HA GLU 32 HA GLU 32 0.235 13.561 -0.583 285 HB2 GLU 32 HB2 GLU 32 -0.492 13.545 1.805 286 HB3 GLU 32 HB1 GLU 32 -1.835 13.534 0.677 287 HG2 GLU 32 HG2 GLU 32 -2.296 11.314 1.084 288 HG3 GLU 32 HG1 GLU 32 -0.793 11.034 1.969 289 H VAL 33 HN VAL 33 0.380 10.170 0.372 290 HA VAL 33 HA VAL 33 2.513 10.433 2.145 291 HB VAL 33 HB VAL 33 0.881 8.458 1.951 292 HG11 VAL 33 HG11 VAL 33 1.251 7.860 -0.358 293 HG12 VAL 33 HG12 VAL 33 1.625 6.499 0.702 294 HG13 VAL 33 HG13 VAL 33 2.928 7.454 -0.009 295 HG21 VAL 33 HG21 VAL 33 3.795 8.023 2.413 296 HG22 VAL 33 HG22 VAL 33 2.542 6.889 2.919 297 HG23 VAL 33 HG23 VAL 33 2.602 8.511 3.615 298 H LEU 34 HN LEU 34 2.467 10.127 -1.274 299 HA LEU 34 HA LEU 34 4.939 9.081 -1.827 300 HB2 LEU 34 HB2 LEU 34 3.404 11.169 -3.330 301 HB3 LEU 34 HB1 LEU 34 4.855 10.419 -3.954 302 HG LEU 34 HG LEU 34 2.281 9.005 -3.290 303 HD11 LEU 34 HD11 LEU 34 2.112 10.396 -5.272 304 HD12 LEU 34 HD12 LEU 34 2.090 8.685 -5.692 305 HD13 LEU 34 HD13 LEU 34 3.556 9.634 -5.938 306 HD21 LEU 34 HD21 LEU 34 4.873 7.973 -4.427 307 HD22 LEU 34 HD22 LEU 34 3.364 7.081 -4.424 308 HD23 LEU 34 HD23 LEU 34 4.130 7.506 -2.893 309 H GLU 35 HN GLU 35 4.381 12.329 -0.555 310 HA GLU 35 HA GLU 35 6.994 13.170 -1.397 311 HB2 GLU 35 HB2 GLU 35 6.715 15.165 -0.012 312 HB3 GLU 35 HB1 GLU 35 5.309 14.895 -1.014 313 HG2 GLU 35 HG2 GLU 35 4.118 13.976 0.938 314 HG3 GLU 35 HG1 GLU 35 5.543 14.307 1.929 315 H SER 36 HN SER 36 5.858 11.293 1.224 316 HA SER 36 HA SER 36 8.466 10.680 2.008 317 HB2 SER 36 HB2 SER 36 8.185 11.426 4.472 318 HB3 SER 36 HB1 SER 36 8.608 12.665 3.293 319 HG SER 36 HG SER 36 6.076 12.690 3.234 320 HA PRO 37 HA PRO 37 5.450 7.397 3.032 321 HB2 PRO 37 HB2 PRO 37 6.339 5.509 1.378 322 HB3 PRO 37 HB1 PRO 37 5.341 6.837 0.770 323 HG2 PRO 37 HG2 PRO 37 8.309 6.486 0.630 324 HG3 PRO 37 HG1 PRO 37 7.196 7.058 -0.623 325 HD2 PRO 37 HD2 PRO 37 8.724 8.721 0.962 326 HD3 PRO 37 HD1 PRO 37 7.196 9.195 0.186 327 H ARG 38 HN ARG 38 8.765 7.788 3.258 328 HA ARG 38 HA ARG 38 9.253 5.214 4.454 329 HB2 ARG 38 HB2 ARG 38 11.625 6.083 4.744 330 HB3 ARG 38 HB1 ARG 38 11.035 5.889 3.111 331 HG2 ARG 38 HG2 ARG 38 12.277 7.887 3.120 332 HG3 ARG 38 HG1 ARG 38 10.594 8.375 3.105 333 HD2 ARG 38 HD2 ARG 38 10.669 8.885 5.454 334 HD3 ARG 38 HD1 ARG 38 12.305 8.250 5.583 335 HE ARG 38 HE ARG 38 11.722 10.501 3.807 336 HH11 ARG 38 HH11 ARG 38 13.509 9.202 6.592 337 HH12 ARG 38 HH12 ARG 38 14.495 10.584 6.770 338 HH21 ARG 38 HH21 ARG 38 13.110 12.395 4.086 339 HH22 ARG 38 HH22 ARG 38 14.261 12.407 5.339 340 H ILE 39 HN ILE 39 7.380 6.704 5.793 341 HA ILE 39 HA ILE 39 8.620 7.675 8.207 342 HB ILE 39 HB ILE 39 5.683 7.412 7.465 343 HG12 ILE 39 HG12 ILE 39 7.498 9.815 7.718 344 HG13 ILE 39 HG11 ILE 39 6.952 9.107 6.206 345 HG21 ILE 39 HG21 ILE 39 6.922 8.677 9.926 346 HG22 ILE 39 HG22 ILE 39 5.964 7.197 9.895 347 HG23 ILE 39 HG23 ILE 39 5.216 8.742 9.485 348 HD11 ILE 39 HD11 ILE 39 5.702 11.106 6.717 349 HD12 ILE 39 HD12 ILE 39 5.226 10.442 8.281 350 HD13 ILE 39 HD13 ILE 39 4.649 9.695 6.792 351 H GLU 40 HN GLU 40 9.278 6.404 9.561 352 HA GLU 40 HA GLU 40 9.097 3.650 9.590 353 HB2 GLU 40 HB2 GLU 40 10.241 3.803 11.815 354 HB3 GLU 40 HB1 GLU 40 11.025 4.672 10.509 355 HG2 GLU 40 HG2 GLU 40 9.235 5.975 12.548 356 HG3 GLU 40 HG1 GLU 40 10.985 5.849 12.741 357 H ALA 41 HN ALA 41 7.122 5.954 11.237 358 HA ALA 41 HA ALA 41 5.975 4.187 13.133 359 HB1 ALA 41 HB1 ALA 41 4.262 5.896 13.408 360 HB2 ALA 41 HB2 ALA 41 4.859 6.734 11.973 361 HB3 ALA 41 HB3 ALA 41 5.881 6.593 13.407 362 H ASN 42 HN ASN 42 5.585 4.407 9.769 363 HA ASN 42 HA ASN 42 3.012 3.014 9.947 364 HB2 ASN 42 HB2 ASN 42 4.124 4.650 7.662 365 HB3 ASN 42 HB1 ASN 42 2.688 3.641 7.539 366 HD21 ASN 42 HD21 ASN 42 4.017 6.589 8.701 367 HD22 ASN 42 HD22 ASN 42 2.533 7.265 9.266 368 H LYS 43 HN LYS 43 6.067 2.160 9.868 369 HA LYS 43 HA LYS 43 5.673 0.365 7.655 370 HB2 LYS 43 HB2 LYS 43 7.940 -0.256 7.690 371 HB3 LYS 43 HB1 LYS 43 7.885 1.481 7.878 372 HG2 LYS 43 HG2 LYS 43 8.237 1.063 10.358 373 HG3 LYS 43 HG1 LYS 43 8.571 -0.615 9.883 374 HD2 LYS 43 HD2 LYS 43 10.052 1.834 8.914 375 HD3 LYS 43 HD1 LYS 43 10.665 0.630 10.042 376 HE2 LYS 43 HE2 LYS 43 10.620 -1.073 8.280 377 HE3 LYS 43 HE1 LYS 43 9.880 0.072 7.169 378 HZ1 LYS 43 HZ1 LYS 43 12.631 0.219 8.281 379 HZ2 LYS 43 HZ2 LYS 43 11.891 1.463 7.472 380 HZ3 LYS 43 HZ3 LYS 43 12.198 0.036 6.648 381 H LEU 44 HN LEU 44 5.811 -1.811 7.743 382 HA LEU 44 HA LEU 44 4.346 -2.893 9.922 383 HB2 LEU 44 HB2 LEU 44 5.672 -4.173 7.561 384 HB3 LEU 44 HB1 LEU 44 4.654 -5.061 8.686 385 HG LEU 44 HG LEU 44 3.743 -2.767 6.922 386 HD11 LEU 44 HD11 LEU 44 4.250 -4.773 5.633 387 HD12 LEU 44 HD12 LEU 44 2.508 -4.470 5.739 388 HD13 LEU 44 HD13 LEU 44 3.240 -5.721 6.737 389 HD21 LEU 44 HD21 LEU 44 2.502 -2.958 9.020 390 HD22 LEU 44 HD22 LEU 44 2.176 -4.654 8.653 391 HD23 LEU 44 HD23 LEU 44 1.527 -3.383 7.616 392 H ARG 45 HN ARG 45 5.001 -4.714 11.206 393 HA ARG 45 HA ARG 45 7.283 -4.108 12.621 394 HB2 ARG 45 HB2 ARG 45 6.791 -6.153 13.926 395 HB3 ARG 45 HB1 ARG 45 5.462 -5.020 13.786 396 HG2 ARG 45 HG2 ARG 45 4.449 -6.473 12.060 397 HG3 ARG 45 HG1 ARG 45 5.787 -7.603 12.266 398 HD2 ARG 45 HD2 ARG 45 3.868 -6.760 14.433 399 HD3 ARG 45 HD1 ARG 45 3.786 -8.275 13.534 400 HE ARG 45 HE ARG 45 6.210 -8.470 14.468 401 HH11 ARG 45 HH11 ARG 45 3.354 -7.311 16.233 402 HH12 ARG 45 HH12 ARG 45 3.874 -7.922 17.739 403 HH21 ARG 45 HH21 ARG 45 6.923 -9.252 16.577 404 HH22 ARG 45 HH22 ARG 45 5.928 -9.029 17.929 405 H GLY 46 HN GLY 46 6.856 -7.048 10.545 406 HA2 GLY 46 HA2 GLY 46 9.788 -7.217 10.740 407 HA3 GLY 46 HA1 GLY 46 8.749 -8.631 10.766 408 H MET 47 HN MET 47 8.042 -5.982 8.682 409 HA MET 47 HA MET 47 8.598 -7.778 6.421 410 HB2 MET 47 HB2 MET 47 6.788 -5.395 6.613 411 HB3 MET 47 HB1 MET 47 7.107 -6.243 5.120 412 HG2 MET 47 HG2 MET 47 5.876 -7.502 7.555 413 HG3 MET 47 HG1 MET 47 4.966 -6.879 6.185 414 HE1 MET 47 HE1 MET 47 6.765 -7.717 3.691 415 HE2 MET 47 HE2 MET 47 5.016 -7.883 3.792 416 HE3 MET 47 HE3 MET 47 5.999 -9.255 3.292 417 HA PRO 48 HA PRO 48 12.069 -5.279 5.313 418 HB2 PRO 48 HB2 PRO 48 12.158 -5.954 2.633 419 HB3 PRO 48 HB1 PRO 48 12.852 -6.926 3.936 420 HG2 PRO 48 HG2 PRO 48 10.230 -7.229 2.533 421 HG3 PRO 48 HG1 PRO 48 11.371 -8.484 3.052 422 HD2 PRO 48 HD2 PRO 48 9.135 -7.960 4.426 423 HD3 PRO 48 HD1 PRO 48 10.643 -8.404 5.254 424 H ASP 49 HN ASP 49 11.231 -3.311 5.575 425 HA ASP 49 HA ASP 49 10.445 -1.248 5.159 426 HB2 ASP 49 HB2 ASP 49 11.755 -1.803 2.500 427 HB3 ASP 49 HB1 ASP 49 11.122 -0.225 2.953 428 H CYS 50 HN CYS 50 8.412 -2.876 5.158 429 HA CYS 50 HA CYS 50 6.811 -1.923 2.908 430 HB2 CYS 50 HB2 CYS 50 6.199 -4.118 4.892 431 HB3 CYS 50 HB1 CYS 50 5.227 -3.693 3.488 432 HG CYS 50 HG CYS 50 8.374 -4.426 2.678 433 H TYR 51 HN TYR 51 4.978 -0.752 3.367 434 HA TYR 51 HA TYR 51 4.690 0.165 6.122 435 HB2 TYR 51 HB2 TYR 51 4.783 1.886 3.632 436 HB3 TYR 51 HB1 TYR 51 4.356 2.461 5.234 437 HD1 TYR 51 HD2 TYR 51 7.167 0.916 3.318 438 HD2 TYR 51 HD1 TYR 51 6.047 3.300 6.651 439 HE1 TYR 51 HE2 TYR 51 9.532 1.430 3.739 440 HE2 TYR 51 HE1 TYR 51 8.408 3.814 7.072 441 HH TYR 51 HH TYR 51 10.862 3.104 4.826 442 H LYS 52 HN LYS 52 2.628 0.985 6.591 443 HA LYS 52 HA LYS 52 0.621 0.321 4.609 444 HB2 LYS 52 HB2 LYS 52 -0.715 -0.988 6.062 445 HB3 LYS 52 HB1 LYS 52 0.906 -1.626 6.192 446 HG2 LYS 52 HG2 LYS 52 -0.519 0.103 8.234 447 HG3 LYS 52 HG1 LYS 52 -0.238 -1.625 8.351 448 HD2 LYS 52 HD2 LYS 52 2.253 -1.075 8.321 449 HD3 LYS 52 HD1 LYS 52 1.785 0.610 8.489 450 HE2 LYS 52 HE2 LYS 52 0.523 0.011 10.543 451 HE3 LYS 52 HE1 LYS 52 1.143 -1.624 10.404 452 HZ1 LYS 52 HZ1 LYS 52 2.776 0.819 10.834 453 HZ2 LYS 52 HZ2 LYS 52 3.428 -0.731 10.667 454 HZ3 LYS 52 HZ3 LYS 52 2.454 -0.365 11.970 455 H ILE 53 HN ILE 53 -1.054 1.601 4.604 456 HA ILE 53 HA ILE 53 -1.127 3.746 6.614 457 HB ILE 53 HB ILE 53 -2.289 3.760 3.797 458 HG12 ILE 53 HG12 ILE 53 0.096 5.257 4.914 459 HG13 ILE 53 HG11 ILE 53 0.178 3.894 3.806 460 HG21 ILE 53 HG21 ILE 53 -2.160 5.960 5.874 461 HG22 ILE 53 HG22 ILE 53 -3.622 5.128 5.343 462 HG23 ILE 53 HG23 ILE 53 -2.737 6.158 4.224 463 HD11 ILE 53 HD11 ILE 53 0.526 5.965 2.620 464 HD12 ILE 53 HD12 ILE 53 -0.987 6.609 3.246 465 HD13 ILE 53 HD13 ILE 53 -1.011 5.253 2.116 466 H LYS 54 HN LYS 54 -2.932 3.869 7.806 467 HA LYS 54 HA LYS 54 -4.950 1.864 7.184 468 HB2 LYS 54 HB2 LYS 54 -5.485 1.655 9.487 469 HB3 LYS 54 HB1 LYS 54 -3.744 1.711 9.451 470 HG2 LYS 54 HG2 LYS 54 -5.604 3.951 10.283 471 HG3 LYS 54 HG1 LYS 54 -4.624 2.957 11.345 472 HD2 LYS 54 HD2 LYS 54 -3.627 4.939 9.300 473 HD3 LYS 54 HD1 LYS 54 -3.662 5.173 11.046 474 HE2 LYS 54 HE2 LYS 54 -2.081 3.280 11.284 475 HE3 LYS 54 HE1 LYS 54 -2.050 3.156 9.519 476 HZ1 LYS 54 HZ1 LYS 54 -1.159 5.521 11.088 477 HZ2 LYS 54 HZ2 LYS 54 -1.166 5.419 9.421 478 HZ3 LYS 54 HZ3 LYS 54 -0.145 4.431 10.300 479 H LEU 55 HN LEU 55 -7.082 2.499 7.085 480 HA LEU 55 HA LEU 55 -7.271 5.319 6.453 481 HB2 LEU 55 HB2 LEU 55 -8.063 3.214 5.026 482 HB3 LEU 55 HB1 LEU 55 -9.479 3.347 6.037 483 HG LEU 55 HG LEU 55 -8.464 5.313 3.998 484 HD11 LEU 55 HD11 LEU 55 -11.014 3.783 4.259 485 HD12 LEU 55 HD12 LEU 55 -9.721 3.517 3.087 486 HD13 LEU 55 HD13 LEU 55 -10.684 4.995 3.030 487 HD21 LEU 55 HD21 LEU 55 -9.193 6.633 5.899 488 HD22 LEU 55 HD22 LEU 55 -10.688 5.710 5.980 489 HD23 LEU 55 HD23 LEU 55 -10.376 6.757 4.589 490 H ARG 56 HN ARG 56 -7.944 6.531 8.143 491 HA ARG 56 HA ARG 56 -9.414 5.330 10.300 492 HB2 ARG 56 HB2 ARG 56 -8.628 8.205 9.819 493 HB3 ARG 56 HB1 ARG 56 -9.412 7.621 11.278 494 HG2 ARG 56 HG2 ARG 56 -6.695 6.781 10.283 495 HG3 ARG 56 HG1 ARG 56 -7.001 7.947 11.570 496 HD2 ARG 56 HD2 ARG 56 -8.162 6.149 12.840 497 HD3 ARG 56 HD1 ARG 56 -7.709 5.019 11.564 498 HE ARG 56 HE ARG 56 -5.405 6.308 12.437 499 HH11 ARG 56 HH11 ARG 56 -7.764 3.993 13.681 500 HH12 ARG 56 HH12 ARG 56 -6.671 3.217 14.726 501 HH21 ARG 56 HH21 ARG 56 -3.884 5.204 13.892 502 HH22 ARG 56 HH22 ARG 56 -4.458 3.888 14.814 503 H SER 57 HN SER 57 -11.180 4.629 9.214 504 HA SER 57 HA SER 57 -13.463 6.329 9.233 505 HB2 SER 57 HB2 SER 57 -12.638 5.212 6.522 506 HB3 SER 57 HB1 SER 57 -14.165 6.004 6.886 507 HG SER 57 HG SER 57 -12.109 7.504 7.684 508 H SER 58 HN SER 58 -11.941 3.283 8.296 509 HA SER 58 HA SER 58 -13.873 1.731 9.622 510 HB2 SER 58 HB2 SER 58 -14.987 2.182 7.388 511 HB3 SER 58 HB1 SER 58 -13.594 1.478 6.594 512 HG SER 58 HG SER 58 -15.666 0.292 7.980 513 H GLY 59 HN GLY 59 -13.070 -0.695 8.896 514 HA2 GLY 59 HA2 GLY 59 -10.294 -0.643 9.690 515 HA3 GLY 59 HA1 GLY 59 -11.292 -2.080 9.528 516 H TYR 60 HN TYR 60 -10.197 0.441 7.302 517 HA TYR 60 HA TYR 60 -9.212 -1.718 5.585 518 HB2 TYR 60 HB2 TYR 60 -10.065 1.081 4.842 519 HB3 TYR 60 HB1 TYR 60 -9.283 -0.034 3.733 520 HD1 TYR 60 HD2 TYR 60 -10.472 -2.226 3.204 521 HD2 TYR 60 HD1 TYR 60 -12.368 1.018 5.165 522 HE1 TYR 60 HE2 TYR 60 -12.668 -3.147 2.577 523 HE2 TYR 60 HE1 TYR 60 -14.581 0.108 4.549 524 HH TYR 60 HH TYR 60 -15.005 -3.035 3.272 525 H ARG 61 HN ARG 61 -7.183 -1.652 4.816 526 HA ARG 61 HA ARG 61 -5.482 0.560 5.431 527 HB2 ARG 61 HB2 ARG 61 -3.681 -1.053 6.308 528 HB3 ARG 61 HB1 ARG 61 -4.971 -0.633 7.416 529 HG2 ARG 61 HG2 ARG 61 -5.182 -3.126 5.784 530 HG3 ARG 61 HG1 ARG 61 -4.154 -3.096 7.220 531 HD2 ARG 61 HD2 ARG 61 -7.027 -2.196 7.269 532 HD3 ARG 61 HD1 ARG 61 -6.569 -3.874 7.540 533 HE ARG 61 HE ARG 61 -5.323 -3.146 9.482 534 HH11 ARG 61 HH11 ARG 61 -7.494 -0.594 8.240 535 HH12 ARG 61 HH12 ARG 61 -7.725 0.086 9.773 536 HH21 ARG 61 HH21 ARG 61 -5.663 -2.173 11.524 537 HH22 ARG 61 HH22 ARG 61 -6.688 -0.820 11.680 538 H LEU 62 HN LEU 62 -3.606 0.551 4.192 539 HA LEU 62 HA LEU 62 -3.689 -1.320 1.947 540 HB2 LEU 62 HB2 LEU 62 -4.558 0.927 1.357 541 HB3 LEU 62 HB1 LEU 62 -3.059 1.643 1.892 542 HG LEU 62 HG LEU 62 -3.104 -0.321 -0.398 543 HD11 LEU 62 HD11 LEU 62 -3.262 1.604 -1.895 544 HD12 LEU 62 HD12 LEU 62 -3.546 2.664 -0.504 545 HD13 LEU 62 HD13 LEU 62 -4.719 1.416 -0.925 546 HD21 LEU 62 HD21 LEU 62 -0.937 0.257 0.550 547 HD22 LEU 62 HD22 LEU 62 -1.318 1.968 0.369 548 HD23 LEU 62 HD23 LEU 62 -1.121 0.954 -1.065 549 H VAL 63 HN VAL 63 -1.814 -2.340 1.545 550 HA VAL 63 HA VAL 63 0.503 -1.552 3.165 551 HB VAL 63 HB VAL 63 -0.309 -4.330 2.246 552 HG11 VAL 63 HG11 VAL 63 2.107 -4.138 2.369 553 HG12 VAL 63 HG12 VAL 63 1.515 -5.117 3.719 554 HG13 VAL 63 HG13 VAL 63 1.990 -3.445 3.985 555 HG21 VAL 63 HG21 VAL 63 -0.360 -3.093 4.994 556 HG22 VAL 63 HG22 VAL 63 -0.701 -4.783 4.628 557 HG23 VAL 63 HG23 VAL 63 -1.765 -3.516 4.018 558 H TYR 64 HN TYR 64 2.246 -1.018 2.090 559 HA TYR 64 HA TYR 64 2.655 -2.029 -0.604 560 HB2 TYR 64 HB2 TYR 64 3.303 0.237 -1.401 561 HB3 TYR 64 HB1 TYR 64 1.620 0.122 -0.950 562 HD1 TYR 64 HD2 TYR 64 4.881 1.152 0.618 563 HD2 TYR 64 HD1 TYR 64 0.721 1.837 0.197 564 HE1 TYR 64 HE2 TYR 64 5.081 3.172 1.989 565 HE2 TYR 64 HE1 TYR 64 0.897 3.849 1.545 566 HH TYR 64 HH TYR 64 2.418 4.761 3.285 567 H GLN 65 HN GLN 65 4.870 -1.828 -1.301 568 HA GLN 65 HA GLN 65 6.672 -1.605 0.985 569 HB2 GLN 65 HB2 GLN 65 8.280 -2.998 -0.242 570 HB3 GLN 65 HB1 GLN 65 6.769 -3.845 0.035 571 HG2 GLN 65 HG2 GLN 65 6.113 -3.459 -2.282 572 HG3 GLN 65 HG1 GLN 65 7.598 -2.549 -2.556 573 HE21 GLN 65 HE21 GLN 65 9.256 -4.355 -0.982 574 HE22 GLN 65 HE22 GLN 65 9.432 -5.791 -1.915 575 H VAL 66 HN VAL 66 8.380 -0.257 0.887 576 HA VAL 66 HA VAL 66 8.296 1.607 -1.350 577 HB VAL 66 HB VAL 66 9.530 1.913 1.415 578 HG11 VAL 66 HG11 VAL 66 10.889 3.087 -0.258 579 HG12 VAL 66 HG12 VAL 66 10.038 4.224 0.781 580 HG13 VAL 66 HG13 VAL 66 9.450 3.916 -0.854 581 HG21 VAL 66 HG21 VAL 66 7.195 3.301 0.105 582 HG22 VAL 66 HG22 VAL 66 7.835 3.648 1.713 583 HG23 VAL 66 HG23 VAL 66 7.101 2.081 1.372 584 H ILE 67 HN ILE 67 9.666 1.277 -2.886 585 HA ILE 67 HA ILE 67 12.151 -0.111 -2.261 586 HB ILE 67 HB ILE 67 11.018 0.567 -4.999 587 HG12 ILE 67 HG12 ILE 67 10.868 -2.079 -3.516 588 HG13 ILE 67 HG11 ILE 67 9.515 -0.977 -3.739 589 HG21 ILE 67 HG21 ILE 67 13.431 0.199 -4.968 590 HG22 ILE 67 HG22 ILE 67 12.630 -1.149 -5.776 591 HG23 ILE 67 HG23 ILE 67 13.202 -1.329 -4.117 592 HD11 ILE 67 HD11 ILE 67 11.011 -2.418 -5.924 593 HD12 ILE 67 HD12 ILE 67 9.668 -1.301 -6.164 594 HD13 ILE 67 HD13 ILE 67 9.406 -2.822 -5.311 595 H ASP 68 HN ASP 68 13.352 1.451 -1.446 596 HA ASP 68 HA ASP 68 13.382 4.168 -2.234 597 HB2 ASP 68 HB2 ASP 68 14.131 3.417 -0.018 598 HB3 ASP 68 HB1 ASP 68 15.484 2.574 -0.756 599 H GLU 69 HN GLU 69 15.290 1.383 -3.115 600 HA GLU 69 HA GLU 69 17.380 2.628 -4.516 601 HB2 GLU 69 HB2 GLU 69 16.106 -0.043 -5.025 602 HB3 GLU 69 HB1 GLU 69 17.632 0.504 -5.700 603 HG2 GLU 69 HG2 GLU 69 18.612 0.558 -3.485 604 HG3 GLU 69 HG1 GLU 69 17.070 0.084 -2.772 605 H LYS 70 HN LYS 70 14.116 1.922 -5.483 606 HA LYS 70 HA LYS 70 14.733 2.822 -8.206 607 HB2 LYS 70 HB2 LYS 70 12.462 1.136 -7.181 608 HB3 LYS 70 HB1 LYS 70 12.540 1.755 -8.827 609 HG2 LYS 70 HG2 LYS 70 14.618 0.471 -9.172 610 HG3 LYS 70 HG1 LYS 70 14.498 -0.120 -7.515 611 HD2 LYS 70 HD2 LYS 70 12.398 -1.225 -8.015 612 HD3 LYS 70 HD1 LYS 70 12.410 -0.561 -9.647 613 HE2 LYS 70 HE2 LYS 70 14.512 -2.420 -8.538 614 HE3 LYS 70 HE1 LYS 70 13.139 -2.932 -9.511 615 HZ1 LYS 70 HZ1 LYS 70 13.973 -1.603 -11.344 616 HZ2 LYS 70 HZ2 LYS 70 15.127 -2.701 -10.819 617 HZ3 LYS 70 HZ3 LYS 70 15.293 -1.079 -10.418 618 H VAL 71 HN VAL 71 13.515 3.933 -5.368 619 HA VAL 71 HA VAL 71 12.295 5.704 -4.675 620 HB VAL 71 HB VAL 71 12.614 6.741 -7.543 621 HG11 VAL 71 HG11 VAL 71 11.031 8.076 -6.263 622 HG12 VAL 71 HG12 VAL 71 12.510 8.993 -6.547 623 HG13 VAL 71 HG13 VAL 71 12.205 8.274 -4.965 624 HG21 VAL 71 HG21 VAL 71 14.452 7.122 -5.190 625 HG22 VAL 71 HG22 VAL 71 14.656 7.835 -6.795 626 HG23 VAL 71 HG23 VAL 71 14.753 6.083 -6.579 627 H VAL 72 HN VAL 72 10.851 3.469 -5.350 628 HA VAL 72 HA VAL 72 8.369 4.662 -6.293 629 HB VAL 72 HB VAL 72 9.296 3.405 -8.209 630 HG11 VAL 72 HG11 VAL 72 9.100 0.969 -6.467 631 HG12 VAL 72 HG12 VAL 72 10.577 1.744 -7.048 632 HG13 VAL 72 HG13 VAL 72 9.466 0.986 -8.195 633 HG21 VAL 72 HG21 VAL 72 6.837 2.094 -7.048 634 HG22 VAL 72 HG22 VAL 72 7.335 2.015 -8.736 635 HG23 VAL 72 HG23 VAL 72 6.867 3.560 -8.027 636 H VAL 73 HN VAL 73 6.615 4.095 -5.298 637 HA VAL 73 HA VAL 73 6.762 2.359 -2.978 638 HB VAL 73 HB VAL 73 4.744 4.460 -3.851 639 HG11 VAL 73 HG11 VAL 73 3.787 4.219 -1.620 640 HG12 VAL 73 HG12 VAL 73 4.921 2.908 -1.280 641 HG13 VAL 73 HG13 VAL 73 3.693 2.714 -2.534 642 HG21 VAL 73 HG21 VAL 73 6.822 4.548 -1.674 643 HG22 VAL 73 HG22 VAL 73 5.609 5.788 -1.981 644 HG23 VAL 73 HG23 VAL 73 6.853 5.455 -3.186 645 H PHE 74 HN PHE 74 5.991 0.389 -3.322 646 HA PHE 74 HA PHE 74 4.259 -0.057 -5.648 647 HB2 PHE 74 HB2 PHE 74 6.533 -1.012 -5.764 648 HB3 PHE 74 HB1 PHE 74 6.218 -1.914 -4.291 649 HD1 PHE 74 HD1 PHE 74 5.205 -1.496 -7.800 650 HD2 PHE 74 HD2 PHE 74 5.160 -4.003 -4.375 651 HE1 PHE 74 HE1 PHE 74 4.367 -3.338 -9.170 652 HE2 PHE 74 HE2 PHE 74 4.310 -5.857 -5.740 653 HZ PHE 74 HZ PHE 74 3.911 -5.518 -8.149 654 H VAL 75 HN VAL 75 2.227 -0.372 -5.042 655 HA VAL 75 HA VAL 75 1.484 -1.233 -2.392 656 HB VAL 75 HB VAL 75 -0.277 -0.889 -4.843 657 HG11 VAL 75 HG11 VAL 75 -1.369 -2.252 -3.160 658 HG12 VAL 75 HG12 VAL 75 -2.144 -0.670 -3.218 659 HG13 VAL 75 HG13 VAL 75 -1.027 -1.058 -1.920 660 HG21 VAL 75 HG21 VAL 75 0.360 1.076 -2.639 661 HG22 VAL 75 HG22 VAL 75 -0.869 1.307 -3.881 662 HG23 VAL 75 HG23 VAL 75 0.831 1.201 -4.334 663 H ILE 76 HN ILE 76 1.271 -3.243 -1.727 664 HA ILE 76 HA ILE 76 1.396 -5.359 -3.753 665 HB ILE 76 HB ILE 76 1.776 -5.631 -0.759 666 HG12 ILE 76 HG12 ILE 76 3.916 -5.451 -2.895 667 HG13 ILE 76 HG11 ILE 76 3.511 -4.149 -1.776 668 HG21 ILE 76 HG21 ILE 76 1.185 -7.722 -1.780 669 HG22 ILE 76 HG22 ILE 76 2.935 -7.753 -1.466 670 HG23 ILE 76 HG23 ILE 76 2.332 -7.450 -3.087 671 HD11 ILE 76 HD11 ILE 76 5.498 -5.355 -1.056 672 HD12 ILE 76 HD12 ILE 76 4.590 -6.865 -1.031 673 HD13 ILE 76 HD13 ILE 76 4.185 -5.576 0.102 674 H SER 77 HN SER 77 -0.458 -4.307 -0.897 675 HA SER 77 HA SER 77 -2.706 -5.888 -1.813 676 HB2 SER 77 HB2 SER 77 -1.462 -6.254 0.925 677 HB3 SER 77 HB1 SER 77 -2.989 -6.969 0.397 678 HG SER 77 HG SER 77 -1.128 -7.516 -1.413 679 H VAL 78 HN VAL 78 -4.704 -5.173 -0.910 680 HA VAL 78 HA VAL 78 -4.655 -2.930 0.871 681 HB VAL 78 HB VAL 78 -4.320 -1.868 -1.318 682 HG11 VAL 78 HG11 VAL 78 -6.852 -3.217 -2.198 683 HG12 VAL 78 HG12 VAL 78 -5.220 -3.534 -2.787 684 HG13 VAL 78 HG13 VAL 78 -5.984 -1.977 -3.102 685 HG21 VAL 78 HG21 VAL 78 -5.651 -0.669 0.293 686 HG22 VAL 78 HG22 VAL 78 -7.125 -1.436 -0.316 687 HG23 VAL 78 HG23 VAL 78 -6.195 -0.340 -1.350 688 H GLY 79 HN GLY 79 -6.533 -2.837 2.081 689 HA2 GLY 79 HA2 GLY 79 -9.063 -3.303 1.658 690 HA3 GLY 79 HA1 GLY 79 -8.468 -4.960 1.586 691 H LYS 80 HN LYS 80 -9.461 -5.679 3.421 692 HA LYS 80 HA LYS 80 -8.878 -4.276 5.917 693 HB2 LYS 80 HB2 LYS 80 -10.678 -6.640 5.390 694 HB3 LYS 80 HB1 LYS 80 -10.403 -5.885 6.951 695 HG2 LYS 80 HG2 LYS 80 -11.387 -3.797 6.066 696 HG3 LYS 80 HG1 LYS 80 -11.722 -4.634 4.546 697 HD2 LYS 80 HD2 LYS 80 -13.716 -4.613 5.924 698 HD3 LYS 80 HD1 LYS 80 -13.116 -6.263 5.777 699 HE2 LYS 80 HE2 LYS 80 -11.998 -5.990 8.015 700 HE3 LYS 80 HE1 LYS 80 -12.755 -4.405 8.135 701 HZ1 LYS 80 HZ1 LYS 80 -13.953 -6.109 9.326 702 HZ2 LYS 80 HZ2 LYS 80 -14.145 -7.003 7.930 703 HZ3 LYS 80 HZ3 LYS 80 -14.913 -5.501 8.076 704 H ALA 81 HN ALA 81 -8.037 -5.449 7.713 705 HA ALA 81 HA ALA 81 -6.708 -7.958 7.110 706 HB1 ALA 81 HB1 ALA 81 -4.608 -7.171 8.077 707 HB2 ALA 81 HB2 ALA 81 -5.294 -5.561 8.274 708 HB3 ALA 81 HB3 ALA 81 -5.038 -6.216 6.655 709 H GLU 82 HN GLU 82 -7.937 -9.091 8.590 710 HA GLU 82 HA GLU 82 -8.623 -8.053 11.118 711 HB2 GLU 82 HB2 GLU 82 -8.500 -10.929 10.189 712 HB3 GLU 82 HB1 GLU 82 -9.201 -10.400 11.707 713 HG2 GLU 82 HG2 GLU 82 -10.162 -9.748 8.937 714 HG3 GLU 82 HG1 GLU 82 -10.948 -10.789 10.121 715 H ALA 83 HN ALA 83 -6.089 -10.231 10.051 716 HA ALA 83 HA ALA 83 -4.503 -9.395 12.334 717 HB1 ALA 83 HB1 ALA 83 -5.720 -11.331 13.163 718 HB2 ALA 83 HB2 ALA 83 -3.991 -11.672 13.024 719 HB3 ALA 83 HB3 ALA 83 -5.114 -12.299 11.820 720 H SER 84 HN SER 84 -4.453 -11.853 9.722 721 HA SER 84 HA SER 84 -1.742 -10.907 9.130 722 HB2 SER 84 HB2 SER 84 -1.360 -13.452 8.681 723 HB3 SER 84 HB1 SER 84 -1.318 -12.806 10.327 724 HG SER 84 HG SER 84 -3.053 -14.606 9.225 725 H GLU 85 HN GLU 85 -4.615 -10.870 7.759 726 HA GLU 85 HA GLU 85 -4.617 -12.361 5.396 727 HB2 GLU 85 HB2 GLU 85 -6.448 -10.927 6.418 728 HB3 GLU 85 HB1 GLU 85 -5.688 -9.561 5.624 729 HG2 GLU 85 HG2 GLU 85 -7.510 -10.305 4.279 730 HG3 GLU 85 HG1 GLU 85 -6.006 -10.718 3.453 731 H VAL 86 HN VAL 86 -3.594 -8.993 5.830 732 HA VAL 86 HA VAL 86 -2.697 -8.800 3.134 733 HB VAL 86 HB VAL 86 -1.908 -6.529 3.736 734 HG11 VAL 86 HG11 VAL 86 -4.193 -6.834 3.020 735 HG12 VAL 86 HG12 VAL 86 -4.109 -5.577 4.256 736 HG13 VAL 86 HG13 VAL 86 -4.688 -7.190 4.675 737 HG21 VAL 86 HG21 VAL 86 -1.194 -6.941 6.038 738 HG22 VAL 86 HG22 VAL 86 -2.863 -7.243 6.514 739 HG23 VAL 86 HG23 VAL 86 -2.378 -5.633 5.987 740 H TYR 87 HN TYR 87 -1.250 -9.683 6.092 741 HA TYR 87 HA TYR 87 1.452 -9.134 5.347 742 HB2 TYR 87 HB2 TYR 87 0.313 -10.924 7.493 743 HB3 TYR 87 HB1 TYR 87 2.033 -10.651 7.262 744 HD1 TYR 87 HD2 TYR 87 -1.137 -9.109 8.322 745 HD2 TYR 87 HD1 TYR 87 3.062 -8.592 7.920 746 HE1 TYR 87 HE2 TYR 87 -1.251 -7.119 9.754 747 HE2 TYR 87 HE1 TYR 87 2.961 -6.605 9.345 748 HH TYR 87 HH TYR 87 0.201 -5.837 11.189 749 H SER 88 HN SER 88 -0.653 -11.936 5.247 750 HA SER 88 HA SER 88 1.216 -13.870 4.510 751 HB2 SER 88 HB2 SER 88 -1.718 -13.715 3.774 752 HB3 SER 88 HB1 SER 88 -0.715 -15.164 3.731 753 HG SER 88 HG SER 88 -1.342 -13.621 6.040 754 H GLU 89 HN GLU 89 -0.927 -11.878 2.445 755 HA GLU 89 HA GLU 89 0.179 -12.955 0.088 756 HB2 GLU 89 HB2 GLU 89 -1.518 -10.493 0.465 757 HB3 GLU 89 HB1 GLU 89 -1.053 -11.154 -1.097 758 HG2 GLU 89 HG2 GLU 89 -2.132 -13.315 -0.351 759 HG3 GLU 89 HG1 GLU 89 -2.827 -12.392 0.980 760 H ALA 90 HN ALA 90 0.912 -10.103 1.972 761 HA ALA 90 HA ALA 90 2.556 -8.906 0.047 762 HB1 ALA 90 HB1 ALA 90 3.438 -7.531 1.849 763 HB2 ALA 90 HB2 ALA 90 2.729 -8.619 3.044 764 HB3 ALA 90 HB3 ALA 90 1.687 -7.676 1.980 765 H VAL 91 HN VAL 91 3.363 -11.064 2.767 766 HA VAL 91 HA VAL 91 6.126 -10.961 2.155 767 HB VAL 91 HB VAL 91 5.234 -11.531 4.436 768 HG11 VAL 91 HG11 VAL 91 4.666 -13.844 4.975 769 HG12 VAL 91 HG12 VAL 91 4.669 -14.227 3.252 770 HG13 VAL 91 HG13 VAL 91 3.495 -13.086 3.896 771 HG21 VAL 91 HG21 VAL 91 6.987 -13.168 4.987 772 HG22 VAL 91 HG22 VAL 91 7.570 -11.879 3.938 773 HG23 VAL 91 HG23 VAL 91 7.216 -13.471 3.266 774 H LYS 92 HN LYS 92 3.551 -13.153 1.183 775 HA LYS 92 HA LYS 92 5.406 -14.908 -0.098 776 HB2 LYS 92 HB2 LYS 92 2.399 -14.791 -0.282 777 HB3 LYS 92 HB1 LYS 92 3.380 -16.008 -1.077 778 HG2 LYS 92 HG2 LYS 92 3.085 -15.569 1.896 779 HG3 LYS 92 HG1 LYS 92 2.473 -16.927 0.958 780 HD2 LYS 92 HD2 LYS 92 5.382 -16.256 1.494 781 HD3 LYS 92 HD1 LYS 92 4.468 -17.598 2.165 782 HE2 LYS 92 HE2 LYS 92 5.089 -17.214 -0.763 783 HE3 LYS 92 HE1 LYS 92 5.976 -18.272 0.320 784 HZ1 LYS 92 HZ1 LYS 92 3.972 -19.603 0.611 785 HZ2 LYS 92 HZ2 LYS 92 4.356 -19.436 -1.026 786 HZ3 LYS 92 HZ3 LYS 92 3.097 -18.537 -0.374 787 H ARG 93 HN ARG 93 4.145 -11.946 -0.949 788 HA ARG 93 HA ARG 93 4.345 -12.426 -3.773 789 HB2 ARG 93 HB2 ARG 93 2.812 -10.691 -2.741 790 HB3 ARG 93 HB1 ARG 93 4.249 -9.753 -2.374 791 HG2 ARG 93 HG2 ARG 93 3.116 -8.981 -4.412 792 HG3 ARG 93 HG1 ARG 93 4.760 -9.543 -4.732 793 HD2 ARG 93 HD2 ARG 93 3.953 -11.624 -5.585 794 HD3 ARG 93 HD1 ARG 93 2.301 -11.255 -5.082 795 HE ARG 93 HE ARG 93 2.777 -9.264 -6.747 796 HH11 ARG 93 HH11 ARG 93 3.661 -12.667 -7.216 797 HH12 ARG 93 HH12 ARG 93 3.340 -12.621 -8.895 798 HH21 ARG 93 HH21 ARG 93 2.398 -9.212 -8.845 799 HH22 ARG 93 HH22 ARG 93 2.520 -10.570 -9.903 800 H ILE 94 HN ILE 94 6.246 -11.186 -1.214 801 HA ILE 94 HA ILE 94 8.395 -10.307 -2.878 802 HB ILE 94 HB ILE 94 8.239 -10.710 0.126 803 HG12 ILE 94 HG12 ILE 94 8.042 -8.177 -1.511 804 HG13 ILE 94 HG11 ILE 94 6.651 -9.075 -0.921 805 HG21 ILE 94 HG21 ILE 94 10.226 -9.262 0.220 806 HG22 ILE 94 HG22 ILE 94 10.280 -9.219 -1.544 807 HG23 ILE 94 HG23 ILE 94 10.561 -10.736 -0.691 808 HD11 ILE 94 HD11 ILE 94 7.150 -7.177 0.469 809 HD12 ILE 94 HD12 ILE 94 8.778 -7.814 0.780 810 HD13 ILE 94 HD13 ILE 94 7.344 -8.700 1.334 811 H LEU 95 HN LEU 95 7.825 -13.050 -0.667 812 HA LEU 95 HA LEU 95 10.318 -14.280 -1.371 813 HB2 LEU 95 HB2 LEU 95 7.978 -15.304 0.226 814 HB3 LEU 95 HB1 LEU 95 9.491 -16.162 0.022 815 HG LEU 95 HG LEU 95 9.145 -13.508 1.420 816 HD11 LEU 95 HD11 LEU 95 9.725 -16.258 2.502 817 HD12 LEU 95 HD12 LEU 95 8.201 -15.388 2.648 818 HD13 LEU 95 HD13 LEU 95 9.648 -14.761 3.435 819 HD21 LEU 95 HD21 LEU 95 11.570 -15.266 1.079 820 HD22 LEU 95 HD22 LEU 95 11.475 -13.829 2.096 821 HD23 LEU 95 HD23 LEU 95 11.329 -13.678 0.345 Start of MODEL 6 1 H MET 1 H MET 1 11.600 16.306 -1.969 2 HA MET 1 HA MET 1 11.459 14.863 -3.911 3 HB2 MET 1 HB2 MET 1 12.947 14.295 -1.949 4 HB3 MET 1 HB1 MET 1 11.628 13.321 -1.312 5 HG2 MET 1 HG2 MET 1 11.757 11.867 -3.274 6 HG3 MET 1 HG1 MET 1 13.088 12.842 -3.896 7 HE1 MET 1 HE1 MET 1 14.631 10.716 -4.147 8 HE2 MET 1 HE2 MET 1 13.295 9.712 -3.583 9 HE3 MET 1 HE3 MET 1 14.894 9.547 -2.853 10 H ALA 2 HN ALA 2 10.318 13.172 -4.923 11 HA ALA 2 HA ALA 2 7.933 12.211 -3.544 12 HB1 ALA 2 HB1 ALA 2 7.232 14.065 -4.998 13 HB2 ALA 2 HB2 ALA 2 6.590 12.520 -5.557 14 HB3 ALA 2 HB3 ALA 2 7.969 13.252 -6.380 15 H TYR 3 HN TYR 3 7.369 10.183 -4.035 16 HA TYR 3 HA TYR 3 9.225 8.658 -5.713 17 HB2 TYR 3 HB2 TYR 3 7.448 7.766 -3.418 18 HB3 TYR 3 HB1 TYR 3 8.333 6.671 -4.459 19 HD1 TYR 3 HD1 TYR 3 9.204 9.798 -2.550 20 HD2 TYR 3 HD2 TYR 3 10.153 5.745 -3.429 21 HE1 TYR 3 HE1 TYR 3 11.122 9.923 -1.026 22 HE2 TYR 3 HE2 TYR 3 12.076 5.868 -1.907 23 HH TYR 3 HH TYR 3 13.468 7.375 -0.870 24 H PHE 4 HN PHE 4 8.141 6.727 -6.724 25 HA PHE 4 HA PHE 4 5.734 7.640 -8.080 26 HB2 PHE 4 HB2 PHE 4 7.667 5.396 -8.639 27 HB3 PHE 4 HB1 PHE 4 6.308 5.764 -9.683 28 HD1 PHE 4 HD1 PHE 4 6.217 8.230 -10.559 29 HD2 PHE 4 HD2 PHE 4 9.712 6.392 -8.991 30 HE1 PHE 4 HE1 PHE 4 7.599 9.911 -11.687 31 HE2 PHE 4 HE2 PHE 4 11.100 8.067 -10.113 32 HZ PHE 4 HZ PHE 4 10.048 9.838 -11.463 33 H LEU 5 HN LEU 5 3.973 6.017 -8.433 34 HA LEU 5 HA LEU 5 3.820 4.139 -6.167 35 HB2 LEU 5 HB2 LEU 5 2.442 6.348 -6.052 36 HB3 LEU 5 HB1 LEU 5 1.470 5.655 -7.318 37 HG LEU 5 HG LEU 5 0.375 5.465 -5.147 38 HD11 LEU 5 HD11 LEU 5 -0.194 3.733 -6.685 39 HD12 LEU 5 HD12 LEU 5 -0.087 3.071 -5.044 40 HD13 LEU 5 HD13 LEU 5 1.217 2.793 -6.191 41 HD21 LEU 5 HD21 LEU 5 2.738 3.811 -4.311 42 HD22 LEU 5 HD22 LEU 5 1.250 4.012 -3.395 43 HD23 LEU 5 HD23 LEU 5 2.290 5.403 -3.688 44 H ASP 6 HN ASP 6 3.282 2.078 -6.788 45 HA ASP 6 HA ASP 6 1.793 1.690 -9.268 46 HB2 ASP 6 HB2 ASP 6 4.286 1.430 -9.775 47 HB3 ASP 6 HB1 ASP 6 4.268 0.054 -8.670 48 H PHE 7 HN PHE 7 0.858 -0.501 -9.358 49 HA PHE 7 HA PHE 7 0.339 -1.476 -6.621 50 HB2 PHE 7 HB2 PHE 7 -1.559 -1.393 -8.969 51 HB3 PHE 7 HB1 PHE 7 -1.906 -2.143 -7.426 52 HD1 PHE 7 HD1 PHE 7 -1.513 1.020 -9.219 53 HD2 PHE 7 HD2 PHE 7 -2.473 -0.806 -5.504 54 HE1 PHE 7 HE1 PHE 7 -2.476 3.144 -8.429 55 HE2 PHE 7 HE2 PHE 7 -3.431 1.312 -4.702 56 HZ PHE 7 HZ PHE 7 -3.435 3.291 -6.167 57 H ASP 8 HN ASP 8 0.236 -3.656 -6.300 58 HA ASP 8 HA ASP 8 1.406 -5.457 -8.177 59 HB2 ASP 8 HB2 ASP 8 1.409 -5.679 -5.627 60 HB3 ASP 8 HB1 ASP 8 -0.281 -6.137 -5.751 61 H GLU 9 HN GLU 9 0.245 -7.249 -9.168 62 HA GLU 9 HA GLU 9 -2.117 -6.403 -10.418 63 HB2 GLU 9 HB2 GLU 9 -2.116 -8.515 -11.570 64 HB3 GLU 9 HB1 GLU 9 -0.461 -7.964 -11.431 65 HG2 GLU 9 HG2 GLU 9 -0.031 -10.066 -10.749 66 HG3 GLU 9 HG1 GLU 9 -0.778 -9.547 -9.228 67 H ARG 10 HN ARG 10 -1.576 -8.404 -7.581 68 HA ARG 10 HA ARG 10 -4.232 -9.327 -7.192 69 HB2 ARG 10 HB2 ARG 10 -1.904 -8.811 -5.376 70 HB3 ARG 10 HB1 ARG 10 -3.453 -9.355 -4.761 71 HG2 ARG 10 HG2 ARG 10 -2.168 -10.897 -6.944 72 HG3 ARG 10 HG1 ARG 10 -1.537 -11.024 -5.299 73 HD2 ARG 10 HD2 ARG 10 -3.133 -12.752 -5.615 74 HD3 ARG 10 HD1 ARG 10 -3.775 -11.544 -4.503 75 HE ARG 10 HE ARG 10 -4.559 -11.755 -7.321 76 HH11 ARG 10 HH11 ARG 10 -5.445 -11.171 -3.907 77 HH12 ARG 10 HH12 ARG 10 -7.107 -11.234 -4.174 78 HH21 ARG 10 HH21 ARG 10 -6.889 -11.889 -7.652 79 HH22 ARG 10 HH22 ARG 10 -7.961 -11.635 -6.361 80 H ALA 11 HN ALA 11 -2.407 -6.614 -6.057 81 HA ALA 11 HA ALA 11 -4.319 -5.422 -4.422 82 HB1 ALA 11 HB1 ALA 11 -1.946 -4.821 -4.348 83 HB2 ALA 11 HB2 ALA 11 -2.966 -3.395 -4.550 84 HB3 ALA 11 HB3 ALA 11 -2.093 -4.057 -5.930 85 H LEU 12 HN LEU 12 -3.775 -5.126 -7.900 86 HA LEU 12 HA LEU 12 -5.502 -2.947 -8.333 87 HB2 LEU 12 HB2 LEU 12 -4.528 -5.157 -10.105 88 HB3 LEU 12 HB1 LEU 12 -5.628 -3.929 -10.682 89 HG LEU 12 HG LEU 12 -2.868 -3.375 -9.580 90 HD11 LEU 12 HD11 LEU 12 -3.876 -3.428 -12.425 91 HD12 LEU 12 HD12 LEU 12 -2.784 -4.607 -11.698 92 HD13 LEU 12 HD13 LEU 12 -2.263 -2.935 -11.912 93 HD21 LEU 12 HD21 LEU 12 -3.242 -1.139 -10.536 94 HD22 LEU 12 HD22 LEU 12 -4.419 -1.505 -9.279 95 HD23 LEU 12 HD23 LEU 12 -4.885 -1.604 -10.972 96 H LYS 13 HN LYS 13 -6.020 -6.381 -8.281 97 HA LYS 13 HA LYS 13 -8.686 -6.356 -9.207 98 HB2 LYS 13 HB2 LYS 13 -7.170 -8.350 -7.528 99 HB3 LYS 13 HB1 LYS 13 -8.739 -8.653 -8.265 100 HG2 LYS 13 HG2 LYS 13 -7.854 -8.516 -10.450 101 HG3 LYS 13 HG1 LYS 13 -6.332 -7.845 -9.859 102 HD2 LYS 13 HD2 LYS 13 -5.799 -9.885 -8.782 103 HD3 LYS 13 HD1 LYS 13 -7.351 -10.608 -9.232 104 HE2 LYS 13 HE2 LYS 13 -5.537 -11.365 -10.698 105 HE3 LYS 13 HE1 LYS 13 -6.704 -10.405 -11.626 106 HZ1 LYS 13 HZ1 LYS 13 -5.114 -8.517 -11.326 107 HZ2 LYS 13 HZ2 LYS 13 -4.474 -9.815 -12.191 108 HZ3 LYS 13 HZ3 LYS 13 -4.079 -9.629 -10.564 109 H GLU 14 HN GLU 14 -7.246 -6.386 -5.980 110 HA GLU 14 HA GLU 14 -9.711 -6.315 -4.615 111 HB2 GLU 14 HB2 GLU 14 -6.925 -5.576 -3.739 112 HB3 GLU 14 HB1 GLU 14 -8.302 -5.714 -2.650 113 HG2 GLU 14 HG2 GLU 14 -7.332 -7.947 -4.403 114 HG3 GLU 14 HG1 GLU 14 -6.806 -7.734 -2.741 115 H TRP 15 HN TRP 15 -7.527 -3.816 -5.728 116 HA TRP 15 HA TRP 15 -8.674 -1.514 -4.603 117 HB2 TRP 15 HB2 TRP 15 -6.502 -1.507 -5.663 118 HB3 TRP 15 HB1 TRP 15 -7.188 -2.034 -7.182 119 HD1 TRP 15 HD1 TRP 15 -8.146 -0.184 -8.784 120 HE1 TRP 15 HE1 TRP 15 -7.981 2.366 -8.802 121 HE3 TRP 15 HE3 TRP 15 -6.424 0.493 -4.032 122 HZ2 TRP 15 HZ2 TRP 15 -7.179 4.428 -7.000 123 HZ3 TRP 15 HZ3 TRP 15 -5.963 2.777 -3.258 124 HH2 TRP 15 HH2 TRP 15 -6.323 4.687 -4.699 125 H ARG 16 HN ARG 16 -9.354 -3.189 -7.616 126 HA ARG 16 HA ARG 16 -11.402 -1.376 -8.418 127 HB2 ARG 16 HB2 ARG 16 -10.604 -4.098 -9.418 128 HB3 ARG 16 HB1 ARG 16 -11.860 -3.123 -10.174 129 HG2 ARG 16 HG2 ARG 16 -10.252 -1.371 -10.652 130 HG3 ARG 16 HG1 ARG 16 -8.999 -2.265 -9.798 131 HD2 ARG 16 HD2 ARG 16 -9.179 -4.068 -11.433 132 HD3 ARG 16 HD1 ARG 16 -10.427 -3.162 -12.293 133 HE ARG 16 HE ARG 16 -8.454 -1.394 -12.250 134 HH11 ARG 16 HH11 ARG 16 -8.388 -4.830 -13.103 135 HH12 ARG 16 HH12 ARG 16 -7.110 -4.694 -14.201 136 HH21 ARG 16 HH21 ARG 16 -6.668 -1.192 -13.740 137 HH22 ARG 16 HH22 ARG 16 -6.055 -2.554 -14.560 138 H LYS 17 HN LYS 17 -11.272 -4.164 -6.473 139 HA LYS 17 HA LYS 17 -14.060 -4.776 -6.402 140 HB2 LYS 17 HB2 LYS 17 -12.270 -6.372 -5.749 141 HB3 LYS 17 HB1 LYS 17 -11.864 -5.321 -4.403 142 HG2 LYS 17 HG2 LYS 17 -14.179 -5.684 -3.533 143 HG3 LYS 17 HG1 LYS 17 -14.395 -6.888 -4.801 144 HD2 LYS 17 HD2 LYS 17 -13.770 -8.024 -2.786 145 HD3 LYS 17 HD1 LYS 17 -12.401 -8.094 -3.900 146 HE2 LYS 17 HE2 LYS 17 -11.307 -6.285 -2.696 147 HE3 LYS 17 HE1 LYS 17 -12.704 -6.113 -1.639 148 HZ1 LYS 17 HZ1 LYS 17 -10.784 -8.373 -1.779 149 HZ2 LYS 17 HZ2 LYS 17 -12.282 -8.481 -0.998 150 HZ3 LYS 17 HZ3 LYS 17 -11.136 -7.360 -0.464 151 H LEU 18 HN LEU 18 -11.822 -2.839 -4.520 152 HA LEU 18 HA LEU 18 -13.386 -2.092 -2.350 153 HB2 LEU 18 HB2 LEU 18 -10.888 -1.286 -3.540 154 HB3 LEU 18 HB1 LEU 18 -11.760 0.080 -2.881 155 HG LEU 18 HG LEU 18 -11.850 -1.006 -0.709 156 HD11 LEU 18 HD11 LEU 18 -11.838 -3.331 -1.413 157 HD12 LEU 18 HD12 LEU 18 -10.559 -3.009 -0.245 158 HD13 LEU 18 HD13 LEU 18 -10.168 -3.169 -1.962 159 HD21 LEU 18 HD21 LEU 18 -9.483 -0.802 -0.172 160 HD22 LEU 18 HD22 LEU 18 -10.065 0.494 -1.216 161 HD23 LEU 18 HD23 LEU 18 -9.100 -0.818 -1.897 162 H GLY 19 HN GLY 19 -14.540 -0.319 -1.851 163 HA2 GLY 19 HA2 GLY 19 -16.162 0.769 -3.914 164 HA3 GLY 19 HA1 GLY 19 -16.190 1.212 -2.208 165 H SER 20 HN SER 20 -16.269 2.857 -4.638 166 HA SER 20 HA SER 20 -13.931 4.049 -5.338 167 HB2 SER 20 HB2 SER 20 -16.609 5.400 -5.103 168 HB3 SER 20 HB1 SER 20 -15.312 5.758 -6.245 169 HG SER 20 HG SER 20 -16.483 4.467 -7.430 170 H THR 21 HN THR 21 -16.087 4.951 -2.662 171 HA THR 21 HA THR 21 -14.632 7.285 -1.956 172 HB THR 21 HB THR 21 -16.458 5.683 -0.149 173 HG1 THR 21 HG1 THR 21 -16.947 7.449 -2.282 174 HG21 THR 21 HG21 THR 21 -15.755 8.621 -0.246 175 HG22 THR 21 HG22 THR 21 -15.204 7.466 0.968 176 HG23 THR 21 HG23 THR 21 -16.915 7.885 0.857 177 H VAL 22 HN VAL 22 -14.477 3.905 -0.900 178 HA VAL 22 HA VAL 22 -12.697 4.367 1.259 179 HB VAL 22 HB VAL 22 -13.448 1.860 -0.276 180 HG11 VAL 22 HG11 VAL 22 -12.252 0.573 1.466 181 HG12 VAL 22 HG12 VAL 22 -11.582 2.084 2.090 182 HG13 VAL 22 HG13 VAL 22 -11.164 1.535 0.471 183 HG21 VAL 22 HG21 VAL 22 -14.010 2.780 2.541 184 HG22 VAL 22 HG22 VAL 22 -14.543 1.261 1.841 185 HG23 VAL 22 HG23 VAL 22 -15.156 2.788 1.204 186 H ARG 23 HN ARG 23 -12.251 3.300 -2.069 187 HA ARG 23 HA ARG 23 -9.457 3.190 -1.792 188 HB2 ARG 23 HB2 ARG 23 -9.320 3.060 -4.259 189 HB3 ARG 23 HB1 ARG 23 -10.360 1.853 -3.525 190 HG2 ARG 23 HG2 ARG 23 -12.268 2.895 -4.245 191 HG3 ARG 23 HG1 ARG 23 -11.463 4.391 -4.691 192 HD2 ARG 23 HD2 ARG 23 -10.200 3.143 -6.375 193 HD3 ARG 23 HD1 ARG 23 -11.025 1.652 -5.918 194 HE ARG 23 HE ARG 23 -12.448 3.989 -7.007 195 HH11 ARG 23 HH11 ARG 23 -11.856 0.464 -7.008 196 HH12 ARG 23 HH12 ARG 23 -12.998 0.186 -8.253 197 HH21 ARG 23 HH21 ARG 23 -13.968 3.541 -8.669 198 HH22 ARG 23 HH22 ARG 23 -14.218 1.946 -9.217 199 H GLU 24 HN GLU 24 -11.593 5.809 -2.759 200 HA GLU 24 HA GLU 24 -9.714 7.632 -3.697 201 HB2 GLU 24 HB2 GLU 24 -12.184 7.937 -2.101 202 HB3 GLU 24 HB1 GLU 24 -11.181 9.337 -2.344 203 HG2 GLU 24 HG2 GLU 24 -11.428 8.840 -4.832 204 HG3 GLU 24 HG1 GLU 24 -12.704 7.710 -4.345 205 H GLN 25 HN GLN 25 -10.722 6.977 -0.402 206 HA GLN 25 HA GLN 25 -9.117 8.891 0.880 207 HB2 GLN 25 HB2 GLN 25 -10.307 6.303 1.728 208 HB3 GLN 25 HB1 GLN 25 -9.288 7.210 2.846 209 HG2 GLN 25 HG2 GLN 25 -10.827 8.999 2.899 210 HG3 GLN 25 HG1 GLN 25 -11.700 8.379 1.497 211 HE21 GLN 25 HE21 GLN 25 -13.092 6.758 1.737 212 HE22 GLN 25 HE22 GLN 25 -13.708 6.224 3.276 213 H LEU 26 HN LEU 26 -8.484 5.560 0.022 214 HA LEU 26 HA LEU 26 -5.888 5.425 1.112 215 HB2 LEU 26 HB2 LEU 26 -7.166 3.889 -1.112 216 HB3 LEU 26 HB1 LEU 26 -5.622 3.469 -0.399 217 HG LEU 26 HG LEU 26 -8.271 3.484 1.074 218 HD11 LEU 26 HD11 LEU 26 -8.026 1.074 1.116 219 HD12 LEU 26 HD12 LEU 26 -6.564 1.203 0.140 220 HD13 LEU 26 HD13 LEU 26 -8.118 1.684 -0.536 221 HD21 LEU 26 HD21 LEU 26 -7.003 2.394 2.881 222 HD22 LEU 26 HD22 LEU 26 -6.429 4.028 2.572 223 HD23 LEU 26 HD23 LEU 26 -5.509 2.646 1.975 224 H LYS 27 HN LYS 27 -7.042 6.146 -2.172 225 HA LYS 27 HA LYS 27 -4.566 6.467 -3.441 226 HB2 LYS 27 HB2 LYS 27 -6.825 6.469 -4.578 227 HB3 LYS 27 HB1 LYS 27 -7.055 8.068 -3.925 228 HG2 LYS 27 HG2 LYS 27 -5.051 8.838 -5.093 229 HG3 LYS 27 HG1 LYS 27 -4.900 7.257 -5.861 230 HD2 LYS 27 HD2 LYS 27 -5.966 8.736 -7.415 231 HD3 LYS 27 HD1 LYS 27 -7.198 7.624 -6.818 232 HE2 LYS 27 HE2 LYS 27 -8.005 9.332 -5.261 233 HE3 LYS 27 HE1 LYS 27 -6.701 10.399 -5.786 234 HZ1 LYS 27 HZ1 LYS 27 -7.649 10.494 -7.952 235 HZ2 LYS 27 HZ2 LYS 27 -8.856 10.905 -6.836 236 HZ3 LYS 27 HZ3 LYS 27 -8.844 9.389 -7.554 237 H LYS 28 HN LYS 28 -6.591 8.784 -1.765 238 HA LYS 28 HA LYS 28 -4.987 11.046 -2.142 239 HB2 LYS 28 HB2 LYS 28 -7.004 10.441 0.032 240 HB3 LYS 28 HB1 LYS 28 -6.289 12.030 -0.231 241 HG2 LYS 28 HG2 LYS 28 -7.277 12.199 -2.392 242 HG3 LYS 28 HG1 LYS 28 -7.817 10.524 -2.331 243 HD2 LYS 28 HD2 LYS 28 -9.275 11.131 -0.410 244 HD3 LYS 28 HD1 LYS 28 -8.804 12.817 -0.636 245 HE2 LYS 28 HE2 LYS 28 -9.696 12.809 -2.879 246 HE3 LYS 28 HE1 LYS 28 -10.079 11.096 -2.756 247 HZ1 LYS 28 HZ1 LYS 28 -12.039 12.424 -2.428 248 HZ2 LYS 28 HZ2 LYS 28 -11.319 13.294 -1.185 249 HZ3 LYS 28 HZ3 LYS 28 -11.665 11.662 -0.979 250 H LYS 29 HN LYS 29 -4.972 8.555 0.296 251 HA LYS 29 HA LYS 29 -2.957 9.747 1.883 252 HB2 LYS 29 HB2 LYS 29 -4.395 7.224 1.859 253 HB3 LYS 29 HB1 LYS 29 -2.718 7.070 2.370 254 HG2 LYS 29 HG2 LYS 29 -4.147 7.430 4.284 255 HG3 LYS 29 HG1 LYS 29 -3.075 8.805 4.040 256 HD2 LYS 29 HD2 LYS 29 -4.957 9.947 2.860 257 HD3 LYS 29 HD1 LYS 29 -6.000 8.615 3.374 258 HE2 LYS 29 HE2 LYS 29 -6.220 10.391 4.971 259 HE3 LYS 29 HE1 LYS 29 -5.307 9.040 5.672 260 HZ1 LYS 29 HZ1 LYS 29 -3.964 11.415 4.488 261 HZ2 LYS 29 HZ2 LYS 29 -3.282 10.209 5.443 262 HZ3 LYS 29 HZ3 LYS 29 -4.373 11.295 6.110 263 H LEU 30 HN LEU 30 -2.918 7.605 -0.832 264 HA LEU 30 HA LEU 30 -0.176 6.989 -0.695 265 HB2 LEU 30 HB2 LEU 30 -2.011 6.990 -3.083 266 HB3 LEU 30 HB1 LEU 30 -0.407 6.289 -3.048 267 HG LEU 30 HG LEU 30 -2.785 5.368 -1.443 268 HD11 LEU 30 HD11 LEU 30 -1.357 4.115 -3.766 269 HD12 LEU 30 HD12 LEU 30 -2.976 4.818 -3.779 270 HD13 LEU 30 HD13 LEU 30 -2.652 3.369 -2.828 271 HD21 LEU 30 HD21 LEU 30 0.030 4.280 -1.562 272 HD22 LEU 30 HD22 LEU 30 -1.338 3.484 -0.791 273 HD23 LEU 30 HD23 LEU 30 -0.756 5.029 -0.169 274 H VAL 31 HN VAL 31 -1.986 9.452 -2.490 275 HA VAL 31 HA VAL 31 0.285 10.424 -3.826 276 HB VAL 31 HB VAL 31 -2.066 10.847 -4.576 277 HG11 VAL 31 HG11 VAL 31 -3.340 12.721 -3.709 278 HG12 VAL 31 HG12 VAL 31 -2.122 12.965 -2.462 279 HG13 VAL 31 HG13 VAL 31 -3.070 11.478 -2.481 280 HG21 VAL 31 HG21 VAL 31 -1.700 13.095 -5.442 281 HG22 VAL 31 HG22 VAL 31 -0.266 12.075 -5.598 282 HG23 VAL 31 HG23 VAL 31 -0.346 13.303 -4.329 283 H GLU 32 HN GLU 32 -1.165 11.408 -0.737 284 HA GLU 32 HA GLU 32 0.658 13.542 -0.333 285 HB2 GLU 32 HB2 GLU 32 -0.084 13.514 2.052 286 HB3 GLU 32 HB1 GLU 32 -1.431 13.527 0.925 287 HG2 GLU 32 HG2 GLU 32 -1.826 11.221 1.273 288 HG3 GLU 32 HG1 GLU 32 -0.370 11.056 2.243 289 H VAL 33 HN VAL 33 0.721 10.124 0.569 290 HA VAL 33 HA VAL 33 2.896 10.357 2.302 291 HB VAL 33 HB VAL 33 1.187 8.430 2.162 292 HG11 VAL 33 HG11 VAL 33 3.232 7.281 0.288 293 HG12 VAL 33 HG12 VAL 33 1.593 7.760 -0.127 294 HG13 VAL 33 HG13 VAL 33 1.860 6.419 0.993 295 HG21 VAL 33 HG21 VAL 33 2.786 6.869 3.236 296 HG22 VAL 33 HG22 VAL 33 2.876 8.523 3.844 297 HG23 VAL 33 HG23 VAL 33 4.092 7.937 2.710 298 H LEU 34 HN LEU 34 2.774 10.012 -1.103 299 HA LEU 34 HA LEU 34 5.235 8.944 -1.717 300 HB2 LEU 34 HB2 LEU 34 3.697 11.067 -3.178 301 HB3 LEU 34 HB1 LEU 34 5.109 10.267 -3.833 302 HG LEU 34 HG LEU 34 2.506 8.925 -3.099 303 HD11 LEU 34 HD11 LEU 34 3.694 9.602 -5.777 304 HD12 LEU 34 HD12 LEU 34 2.281 10.359 -5.046 305 HD13 LEU 34 HD13 LEU 34 2.227 8.660 -5.518 306 HD21 LEU 34 HD21 LEU 34 4.996 7.844 -4.414 307 HD22 LEU 34 HD22 LEU 34 3.467 6.986 -4.280 308 HD23 LEU 34 HD23 LEU 34 4.370 7.396 -2.824 309 H GLU 35 HN GLU 35 4.674 12.162 -0.398 310 HA GLU 35 HA GLU 35 7.286 13.068 -1.292 311 HB2 GLU 35 HB2 GLU 35 6.889 15.109 -0.033 312 HB3 GLU 35 HB1 GLU 35 5.477 14.724 -1.001 313 HG2 GLU 35 HG2 GLU 35 4.323 13.891 0.940 314 HG3 GLU 35 HG1 GLU 35 5.761 14.123 1.929 315 H SER 36 HN SER 36 6.084 11.260 1.324 316 HA SER 36 HA SER 36 8.674 11.021 2.513 317 HB2 SER 36 HB2 SER 36 7.944 13.015 3.715 318 HB3 SER 36 HB1 SER 36 6.381 12.280 4.054 319 HG SER 36 HG SER 36 7.383 10.784 5.318 320 HA PRO 37 HA PRO 37 5.904 7.336 2.739 321 HB2 PRO 37 HB2 PRO 37 7.356 5.619 1.270 322 HB3 PRO 37 HB1 PRO 37 6.266 6.793 0.518 323 HG2 PRO 37 HG2 PRO 37 9.233 6.960 0.899 324 HG3 PRO 37 HG1 PRO 37 8.278 7.304 -0.555 325 HD2 PRO 37 HD2 PRO 37 9.142 9.269 1.103 326 HD3 PRO 37 HD1 PRO 37 7.600 9.360 0.215 327 H ARG 38 HN ARG 38 9.105 8.099 3.438 328 HA ARG 38 HA ARG 38 9.584 5.709 4.954 329 HB2 ARG 38 HB2 ARG 38 11.768 7.066 5.620 330 HB3 ARG 38 HB1 ARG 38 11.623 6.253 4.076 331 HG2 ARG 38 HG2 ARG 38 12.602 8.411 3.704 332 HG3 ARG 38 HG1 ARG 38 10.980 8.424 3.046 333 HD2 ARG 38 HD2 ARG 38 10.217 9.619 5.092 334 HD3 ARG 38 HD1 ARG 38 11.895 9.673 5.642 335 HE ARG 38 HE ARG 38 11.809 10.710 3.069 336 HH11 ARG 38 HH11 ARG 38 10.702 11.641 6.311 337 HH12 ARG 38 HH12 ARG 38 10.635 13.303 5.993 338 HH21 ARG 38 HH21 ARG 38 11.683 13.024 2.605 339 HH22 ARG 38 HH22 ARG 38 11.169 14.098 3.813 340 H ILE 39 HN ILE 39 7.583 6.280 6.078 341 HA ILE 39 HA ILE 39 8.040 7.949 8.458 342 HB ILE 39 HB ILE 39 5.478 6.729 7.355 343 HG12 ILE 39 HG12 ILE 39 6.390 9.607 7.458 344 HG13 ILE 39 HG11 ILE 39 6.453 8.582 6.032 345 HG21 ILE 39 HG21 ILE 39 4.288 8.047 9.029 346 HG22 ILE 39 HG22 ILE 39 5.816 8.641 9.670 347 HG23 ILE 39 HG23 ILE 39 5.408 6.929 9.817 348 HD11 ILE 39 HD11 ILE 39 4.569 10.077 5.954 349 HD12 ILE 39 HD12 ILE 39 3.968 9.443 7.491 350 HD13 ILE 39 HD13 ILE 39 4.018 8.406 6.062 351 H GLU 40 HN GLU 40 8.874 6.861 10.128 352 HA GLU 40 HA GLU 40 9.025 4.039 10.179 353 HB2 GLU 40 HB2 GLU 40 10.128 4.230 12.328 354 HB3 GLU 40 HB1 GLU 40 10.753 5.435 11.214 355 HG2 GLU 40 HG2 GLU 40 9.439 7.150 12.296 356 HG3 GLU 40 HG1 GLU 40 8.720 5.955 13.372 357 H ALA 41 HN ALA 41 6.655 6.167 11.448 358 HA ALA 41 HA ALA 41 5.565 4.403 13.401 359 HB1 ALA 41 HB1 ALA 41 4.239 6.697 11.967 360 HB2 ALA 41 HB2 ALA 41 5.183 6.816 13.453 361 HB3 ALA 41 HB3 ALA 41 3.664 5.915 13.438 362 H ASN 42 HN ASN 42 5.354 4.511 9.989 363 HA ASN 42 HA ASN 42 2.940 2.836 10.070 364 HB2 ASN 42 HB2 ASN 42 4.095 4.443 7.776 365 HB3 ASN 42 HB1 ASN 42 2.744 3.330 7.611 366 HD21 ASN 42 HD21 ASN 42 2.833 6.192 7.102 367 HD22 ASN 42 HD22 ASN 42 1.626 6.885 8.130 368 H LYS 43 HN LYS 43 6.255 2.616 9.839 369 HA LYS 43 HA LYS 43 6.643 0.758 7.798 370 HB2 LYS 43 HB2 LYS 43 8.201 2.364 9.213 371 HB3 LYS 43 HB1 LYS 43 8.348 0.911 10.200 372 HG2 LYS 43 HG2 LYS 43 9.000 -0.313 8.156 373 HG3 LYS 43 HG1 LYS 43 8.989 1.265 7.341 374 HD2 LYS 43 HD2 LYS 43 10.689 2.087 8.959 375 HD3 LYS 43 HD1 LYS 43 10.751 0.478 9.679 376 HE2 LYS 43 HE2 LYS 43 12.610 0.586 8.220 377 HE3 LYS 43 HE1 LYS 43 11.399 -0.364 7.364 378 HZ1 LYS 43 HZ1 LYS 43 12.183 2.450 6.869 379 HZ2 LYS 43 HZ2 LYS 43 10.790 1.849 6.233 380 HZ3 LYS 43 HZ3 LYS 43 12.255 1.176 5.782 381 H LEU 44 HN LEU 44 6.445 -1.366 7.876 382 HA LEU 44 HA LEU 44 5.443 -2.678 10.253 383 HB2 LEU 44 HB2 LEU 44 6.084 -3.769 7.520 384 HB3 LEU 44 HB1 LEU 44 5.329 -4.682 8.809 385 HG LEU 44 HG LEU 44 4.147 -2.337 7.325 386 HD11 LEU 44 HD11 LEU 44 2.550 -4.000 6.542 387 HD12 LEU 44 HD12 LEU 44 3.461 -5.258 7.382 388 HD13 LEU 44 HD13 LEU 44 4.198 -4.382 6.035 389 HD21 LEU 44 HD21 LEU 44 3.409 -2.316 9.647 390 HD22 LEU 44 HD22 LEU 44 2.967 -4.025 9.524 391 HD23 LEU 44 HD23 LEU 44 2.115 -2.818 8.556 392 H ARG 45 HN ARG 45 6.707 -3.604 11.639 393 HA ARG 45 HA ARG 45 9.503 -3.463 11.479 394 HB2 ARG 45 HB2 ARG 45 8.159 -3.389 13.571 395 HB3 ARG 45 HB1 ARG 45 7.822 -5.101 13.385 396 HG2 ARG 45 HG2 ARG 45 9.582 -4.725 15.017 397 HG3 ARG 45 HG1 ARG 45 10.213 -5.593 13.614 398 HD2 ARG 45 HD2 ARG 45 11.747 -3.818 14.352 399 HD3 ARG 45 HD1 ARG 45 11.133 -3.529 12.728 400 HE ARG 45 HE ARG 45 9.752 -2.256 14.943 401 HH11 ARG 45 HH11 ARG 45 11.980 -1.874 12.216 402 HH12 ARG 45 HH12 ARG 45 11.895 -0.167 12.210 403 HH21 ARG 45 HH21 ARG 45 9.632 0.080 14.912 404 HH22 ARG 45 HH22 ARG 45 10.563 0.963 13.778 405 H GLY 46 HN GLY 46 10.900 -4.781 10.490 406 HA2 GLY 46 HA2 GLY 46 11.939 -6.876 10.149 407 HA3 GLY 46 HA1 GLY 46 10.398 -7.664 10.452 408 H MET 47 HN MET 47 9.045 -5.812 8.649 409 HA MET 47 HA MET 47 9.291 -7.391 6.266 410 HB2 MET 47 HB2 MET 47 7.611 -4.987 6.941 411 HB3 MET 47 HB1 MET 47 7.497 -5.852 5.418 412 HG2 MET 47 HG2 MET 47 7.049 -7.114 8.106 413 HG3 MET 47 HG1 MET 47 5.757 -6.439 7.119 414 HE1 MET 47 HE1 MET 47 5.700 -8.788 4.018 415 HE2 MET 47 HE2 MET 47 6.489 -7.221 4.173 416 HE3 MET 47 HE3 MET 47 4.891 -7.483 4.876 417 HA PRO 48 HA PRO 48 12.263 -4.854 4.215 418 HB2 PRO 48 HB2 PRO 48 11.620 -5.455 1.607 419 HB3 PRO 48 HB1 PRO 48 12.611 -6.479 2.647 420 HG2 PRO 48 HG2 PRO 48 9.719 -6.714 1.956 421 HG3 PRO 48 HG1 PRO 48 10.929 -7.993 2.169 422 HD2 PRO 48 HD2 PRO 48 9.076 -7.388 4.050 423 HD3 PRO 48 HD1 PRO 48 10.690 -7.998 4.462 424 H ASP 49 HN ASP 49 11.473 -2.927 4.824 425 HA ASP 49 HA ASP 49 10.486 -0.898 4.776 426 HB2 ASP 49 HB2 ASP 49 11.386 -1.209 1.923 427 HB3 ASP 49 HB1 ASP 49 10.658 0.285 2.503 428 H CYS 50 HN CYS 50 8.544 -2.641 4.953 429 HA CYS 50 HA CYS 50 6.539 -1.786 3.013 430 HB2 CYS 50 HB2 CYS 50 6.372 -3.926 5.141 431 HB3 CYS 50 HB1 CYS 50 5.175 -3.605 3.890 432 HG CYS 50 HG CYS 50 8.157 -4.168 2.553 433 H TYR 51 HN TYR 51 4.736 -0.717 3.645 434 HA TYR 51 HA TYR 51 4.594 0.219 6.425 435 HB2 TYR 51 HB2 TYR 51 4.314 1.950 3.952 436 HB3 TYR 51 HB1 TYR 51 4.057 2.482 5.603 437 HD1 TYR 51 HD1 TYR 51 6.634 1.254 3.248 438 HD2 TYR 51 HD2 TYR 51 5.874 3.264 6.896 439 HE1 TYR 51 HE1 TYR 51 8.994 1.892 3.376 440 HE2 TYR 51 HE2 TYR 51 8.238 3.903 7.033 441 HH TYR 51 HH TYR 51 10.369 3.618 4.435 442 H LYS 52 HN LYS 52 2.499 0.783 7.048 443 HA LYS 52 HA LYS 52 0.397 -0.117 5.202 444 HB2 LYS 52 HB2 LYS 52 -0.907 -0.847 7.170 445 HB3 LYS 52 HB1 LYS 52 0.601 -1.731 7.009 446 HG2 LYS 52 HG2 LYS 52 1.599 -0.480 8.805 447 HG3 LYS 52 HG1 LYS 52 0.217 0.609 8.870 448 HD2 LYS 52 HD2 LYS 52 -1.219 -1.225 9.583 449 HD3 LYS 52 HD1 LYS 52 0.132 -2.350 9.470 450 HE2 LYS 52 HE2 LYS 52 1.300 -1.217 11.227 451 HE3 LYS 52 HE1 LYS 52 0.103 0.070 11.273 452 HZ1 LYS 52 HZ1 LYS 52 -0.351 -2.783 12.028 453 HZ2 LYS 52 HZ2 LYS 52 -1.539 -1.588 12.042 454 HZ3 LYS 52 HZ3 LYS 52 -0.246 -1.483 13.073 455 H ILE 53 HN ILE 53 -1.325 1.161 4.961 456 HA ILE 53 HA ILE 53 -1.570 3.515 6.705 457 HB ILE 53 HB ILE 53 -2.298 3.305 3.753 458 HG12 ILE 53 HG12 ILE 53 -0.246 5.009 5.194 459 HG13 ILE 53 HG11 ILE 53 0.091 3.666 4.111 460 HG21 ILE 53 HG21 ILE 53 -3.055 5.638 3.888 461 HG22 ILE 53 HG22 ILE 53 -2.747 5.662 5.611 462 HG23 ILE 53 HG23 ILE 53 -4.001 4.614 4.960 463 HD11 ILE 53 HD11 ILE 53 0.489 5.754 2.983 464 HD12 ILE 53 HD12 ILE 53 -1.124 6.318 3.393 465 HD13 ILE 53 HD13 ILE 53 -0.927 4.978 2.261 466 H LYS 54 HN LYS 54 -3.515 3.826 7.615 467 HA LYS 54 HA LYS 54 -5.507 1.802 7.037 468 HB2 LYS 54 HB2 LYS 54 -6.316 2.366 9.437 469 HB3 LYS 54 HB1 LYS 54 -4.908 1.337 9.230 470 HG2 LYS 54 HG2 LYS 54 -4.454 2.837 10.986 471 HG3 LYS 54 HG1 LYS 54 -3.506 3.361 9.603 472 HD2 LYS 54 HD2 LYS 54 -5.317 5.022 9.124 473 HD3 LYS 54 HD1 LYS 54 -6.040 4.563 10.673 474 HE2 LYS 54 HE2 LYS 54 -3.929 5.106 11.784 475 HE3 LYS 54 HE1 LYS 54 -3.300 5.614 10.208 476 HZ1 LYS 54 HZ1 LYS 54 -5.629 6.853 11.555 477 HZ2 LYS 54 HZ2 LYS 54 -4.854 7.397 10.137 478 HZ3 LYS 54 HZ3 LYS 54 -4.059 7.446 11.611 479 H LEU 55 HN LEU 55 -7.766 2.396 7.413 480 HA LEU 55 HA LEU 55 -8.165 4.862 5.932 481 HB2 LEU 55 HB2 LEU 55 -9.087 2.520 5.337 482 HB3 LEU 55 HB1 LEU 55 -10.290 2.846 6.564 483 HG LEU 55 HG LEU 55 -10.745 5.002 5.229 484 HD11 LEU 55 HD11 LEU 55 -9.263 3.378 3.211 485 HD12 LEU 55 HD12 LEU 55 -8.868 4.999 3.798 486 HD13 LEU 55 HD13 LEU 55 -10.325 4.721 2.835 487 HD21 LEU 55 HD21 LEU 55 -11.503 2.301 4.141 488 HD22 LEU 55 HD22 LEU 55 -12.250 3.839 3.704 489 HD23 LEU 55 HD23 LEU 55 -12.378 3.240 5.358 490 H ARG 56 HN ARG 56 -10.150 6.138 6.412 491 HA ARG 56 HA ARG 56 -10.382 6.642 9.253 492 HB2 ARG 56 HB2 ARG 56 -11.380 8.133 6.832 493 HB3 ARG 56 HB1 ARG 56 -11.724 8.625 8.480 494 HG2 ARG 56 HG2 ARG 56 -8.973 8.402 7.260 495 HG3 ARG 56 HG1 ARG 56 -9.877 9.901 7.498 496 HD2 ARG 56 HD2 ARG 56 -9.902 9.482 9.920 497 HD3 ARG 56 HD1 ARG 56 -8.971 8.009 9.665 498 HE ARG 56 HE ARG 56 -7.757 10.383 8.616 499 HH11 ARG 56 HH11 ARG 56 -7.987 8.170 11.386 500 HH12 ARG 56 HH12 ARG 56 -6.630 8.794 12.198 501 HH21 ARG 56 HH21 ARG 56 -5.813 11.208 9.737 502 HH22 ARG 56 HH22 ARG 56 -5.360 10.503 11.224 503 H SER 57 HN SER 57 -12.639 6.123 6.527 504 HA SER 57 HA SER 57 -14.977 6.065 8.008 505 HB2 SER 57 HB2 SER 57 -14.409 4.547 5.465 506 HB3 SER 57 HB1 SER 57 -15.985 5.060 6.068 507 HG SER 57 HG SER 57 -14.695 7.250 6.040 508 H SER 58 HN SER 58 -13.237 3.153 6.809 509 HA SER 58 HA SER 58 -14.269 1.721 9.112 510 HB2 SER 58 HB2 SER 58 -14.468 0.788 6.242 511 HB3 SER 58 HB1 SER 58 -14.784 -0.242 7.640 512 HG SER 58 HG SER 58 -16.252 1.904 6.616 513 H GLY 59 HN GLY 59 -13.187 -0.721 8.811 514 HA2 GLY 59 HA2 GLY 59 -10.448 -0.104 9.364 515 HA3 GLY 59 HA1 GLY 59 -11.264 -1.633 9.595 516 H TYR 60 HN TYR 60 -10.307 0.445 6.905 517 HA TYR 60 HA TYR 60 -9.417 -1.946 5.452 518 HB2 TYR 60 HB2 TYR 60 -10.131 0.821 4.484 519 HB3 TYR 60 HB1 TYR 60 -9.263 -0.326 3.479 520 HD1 TYR 60 HD2 TYR 60 -12.449 0.167 5.326 521 HD2 TYR 60 HD1 TYR 60 -10.415 -1.943 2.250 522 HE1 TYR 60 HE2 TYR 60 -14.577 -0.801 4.589 523 HE2 TYR 60 HE1 TYR 60 -12.538 -2.915 1.497 524 HH TYR 60 HH TYR 60 -15.535 -1.759 2.521 525 H ARG 61 HN ARG 61 -7.315 -2.119 4.781 526 HA ARG 61 HA ARG 61 -5.547 0.058 5.462 527 HB2 ARG 61 HB2 ARG 61 -5.103 -2.776 6.469 528 HB3 ARG 61 HB1 ARG 61 -3.859 -1.545 6.444 529 HG2 ARG 61 HG2 ARG 61 -4.593 -1.494 8.652 530 HG3 ARG 61 HG1 ARG 61 -5.494 -0.177 7.909 531 HD2 ARG 61 HD2 ARG 61 -7.382 -1.804 7.570 532 HD3 ARG 61 HD1 ARG 61 -6.492 -2.940 8.575 533 HE ARG 61 HE ARG 61 -7.339 -0.291 9.508 534 HH11 ARG 61 HH11 ARG 61 -6.810 -3.698 10.210 535 HH12 ARG 61 HH12 ARG 61 -7.796 -3.709 11.612 536 HH21 ARG 61 HH21 ARG 61 -8.650 -0.315 11.510 537 HH22 ARG 61 HH22 ARG 61 -8.832 -1.796 12.333 538 H LEU 62 HN LEU 62 -3.793 0.186 4.249 539 HA LEU 62 HA LEU 62 -3.625 -1.687 2.001 540 HB2 LEU 62 HB2 LEU 62 -4.589 0.533 1.415 541 HB3 LEU 62 HB1 LEU 62 -3.157 1.310 2.035 542 HG LEU 62 HG LEU 62 -3.039 -0.575 -0.326 543 HD11 LEU 62 HD11 LEU 62 -3.480 2.415 -0.326 544 HD12 LEU 62 HD12 LEU 62 -4.648 1.196 -0.846 545 HD13 LEU 62 HD13 LEU 62 -3.149 1.421 -1.745 546 HD21 LEU 62 HD21 LEU 62 -1.038 0.743 -0.845 547 HD22 LEU 62 HD22 LEU 62 -0.924 -0.025 0.742 548 HD23 LEU 62 HD23 LEU 62 -1.307 1.694 0.619 549 H VAL 63 HN VAL 63 -1.667 -2.599 1.729 550 HA VAL 63 HA VAL 63 0.539 -1.581 3.381 551 HB VAL 63 HB VAL 63 0.085 -4.470 2.557 552 HG11 VAL 63 HG11 VAL 63 1.842 -4.993 4.176 553 HG12 VAL 63 HG12 VAL 63 2.022 -3.289 4.544 554 HG13 VAL 63 HG13 VAL 63 2.439 -3.887 2.935 555 HG21 VAL 63 HG21 VAL 63 -0.422 -3.184 5.244 556 HG22 VAL 63 HG22 VAL 63 -0.519 -4.910 4.902 557 HG23 VAL 63 HG23 VAL 63 -1.651 -3.795 4.137 558 H TYR 64 HN TYR 64 2.295 -1.028 2.315 559 HA TYR 64 HA TYR 64 2.740 -2.054 -0.379 560 HB2 TYR 64 HB2 TYR 64 3.358 0.222 -1.171 561 HB3 TYR 64 HB1 TYR 64 1.659 0.065 -0.764 562 HD1 TYR 64 HD1 TYR 64 4.872 1.187 0.841 563 HD2 TYR 64 HD2 TYR 64 0.697 1.746 0.409 564 HE1 TYR 64 HE1 TYR 64 5.009 3.210 2.213 565 HE2 TYR 64 HE2 TYR 64 0.808 3.750 1.774 566 HH TYR 64 HH TYR 64 2.263 4.696 3.499 567 H GLN 65 HN GLN 65 4.912 -1.768 -1.110 568 HA GLN 65 HA GLN 65 6.809 -1.477 1.111 569 HB2 GLN 65 HB2 GLN 65 8.396 -2.754 -0.235 570 HB3 GLN 65 HB1 GLN 65 6.942 -3.690 0.055 571 HG2 GLN 65 HG2 GLN 65 6.151 -3.253 -2.175 572 HG3 GLN 65 HG1 GLN 65 7.486 -2.150 -2.473 573 HE21 GLN 65 HE21 GLN 65 9.471 -3.860 -1.205 574 HE22 GLN 65 HE22 GLN 65 9.712 -5.177 -2.281 575 H VAL 66 HN VAL 66 8.397 -0.021 0.903 576 HA VAL 66 HA VAL 66 8.209 1.723 -1.429 577 HB VAL 66 HB VAL 66 9.586 2.190 1.237 578 HG11 VAL 66 HG11 VAL 66 9.897 4.502 0.459 579 HG12 VAL 66 HG12 VAL 66 9.211 4.066 -1.107 580 HG13 VAL 66 HG13 VAL 66 10.737 3.357 -0.586 581 HG21 VAL 66 HG21 VAL 66 7.829 3.768 1.675 582 HG22 VAL 66 HG22 VAL 66 7.120 2.194 1.312 583 HG23 VAL 66 HG23 VAL 66 7.106 3.468 0.094 584 H ILE 67 HN ILE 67 9.524 1.163 -2.977 585 HA ILE 67 HA ILE 67 12.048 -0.097 -2.279 586 HB ILE 67 HB ILE 67 10.850 0.375 -5.031 587 HG12 ILE 67 HG12 ILE 67 10.703 -2.152 -3.367 588 HG13 ILE 67 HG11 ILE 67 9.366 -1.029 -3.592 589 HG21 ILE 67 HG21 ILE 67 12.415 -1.393 -5.716 590 HG22 ILE 67 HG22 ILE 67 13.002 -1.515 -4.058 591 HG23 ILE 67 HG23 ILE 67 13.270 -0.036 -4.981 592 HD11 ILE 67 HD11 ILE 67 9.164 -2.968 -5.043 593 HD12 ILE 67 HD12 ILE 67 10.742 -2.599 -5.747 594 HD13 ILE 67 HD13 ILE 67 9.393 -1.490 -5.983 595 H ASP 68 HN ASP 68 13.200 1.635 -1.570 596 HA ASP 68 HA ASP 68 13.098 4.190 -2.794 597 HB2 ASP 68 HB2 ASP 68 13.788 3.892 -0.449 598 HB3 ASP 68 HB1 ASP 68 15.232 3.040 -0.988 599 H GLU 69 HN GLU 69 14.970 1.388 -3.266 600 HA GLU 69 HA GLU 69 17.153 2.240 -4.761 601 HB2 GLU 69 HB2 GLU 69 15.557 -0.247 -5.330 602 HB3 GLU 69 HB1 GLU 69 17.258 0.025 -5.644 603 HG2 GLU 69 HG2 GLU 69 17.698 0.064 -3.251 604 HG3 GLU 69 HG1 GLU 69 15.981 -0.192 -2.929 605 H LYS 70 HN LYS 70 13.832 1.589 -5.758 606 HA LYS 70 HA LYS 70 14.515 2.464 -8.468 607 HB2 LYS 70 HB2 LYS 70 12.268 0.677 -7.537 608 HB3 LYS 70 HB1 LYS 70 12.478 1.219 -9.204 609 HG2 LYS 70 HG2 LYS 70 14.611 0.114 -9.345 610 HG3 LYS 70 HG1 LYS 70 14.534 -0.325 -7.645 611 HD2 LYS 70 HD2 LYS 70 12.568 -1.728 -8.135 612 HD3 LYS 70 HD1 LYS 70 12.724 -1.309 -9.847 613 HE2 LYS 70 HE2 LYS 70 14.902 -2.309 -9.954 614 HE3 LYS 70 HE1 LYS 70 14.911 -2.600 -8.221 615 HZ1 LYS 70 HZ1 LYS 70 13.184 -3.911 -10.248 616 HZ2 LYS 70 HZ2 LYS 70 12.994 -4.101 -8.578 617 HZ3 LYS 70 HZ3 LYS 70 14.396 -4.609 -9.316 618 H VAL 71 HN VAL 71 13.362 3.646 -5.754 619 HA VAL 71 HA VAL 71 12.291 5.509 -5.108 620 HB VAL 71 HB VAL 71 12.180 6.382 -8.021 621 HG11 VAL 71 HG11 VAL 71 12.501 8.629 -7.103 622 HG12 VAL 71 HG12 VAL 71 12.467 7.959 -5.472 623 HG13 VAL 71 HG13 VAL 71 11.035 7.856 -6.502 624 HG21 VAL 71 HG21 VAL 71 14.577 6.595 -6.184 625 HG22 VAL 71 HG22 VAL 71 14.429 7.365 -7.761 626 HG23 VAL 71 HG23 VAL 71 14.456 5.607 -7.640 627 H VAL 72 HN VAL 72 10.723 3.215 -5.619 628 HA VAL 72 HA VAL 72 8.222 4.488 -6.365 629 HB VAL 72 HB VAL 72 8.972 3.267 -8.351 630 HG11 VAL 72 HG11 VAL 72 9.048 0.843 -8.406 631 HG12 VAL 72 HG12 VAL 72 8.893 0.813 -6.644 632 HG13 VAL 72 HG13 VAL 72 10.311 1.556 -7.399 633 HG21 VAL 72 HG21 VAL 72 6.960 1.916 -8.776 634 HG22 VAL 72 HG22 VAL 72 6.574 3.459 -8.015 635 HG23 VAL 72 HG23 VAL 72 6.573 1.977 -7.055 636 H VAL 73 HN VAL 73 6.545 3.954 -5.254 637 HA VAL 73 HA VAL 73 6.805 2.167 -2.990 638 HB VAL 73 HB VAL 73 4.716 4.249 -3.721 639 HG11 VAL 73 HG11 VAL 73 3.954 4.017 -1.413 640 HG12 VAL 73 HG12 VAL 73 5.128 2.721 -1.169 641 HG13 VAL 73 HG13 VAL 73 3.806 2.508 -2.314 642 HG21 VAL 73 HG21 VAL 73 6.991 4.414 -1.751 643 HG22 VAL 73 HG22 VAL 73 5.705 5.608 -1.916 644 HG23 VAL 73 HG23 VAL 73 6.826 5.324 -3.251 645 H PHE 74 HN PHE 74 6.003 0.216 -3.312 646 HA PHE 74 HA PHE 74 4.153 -0.199 -5.558 647 HB2 PHE 74 HB2 PHE 74 6.528 -1.168 -5.600 648 HB3 PHE 74 HB1 PHE 74 5.990 -2.243 -4.324 649 HD1 PHE 74 HD1 PHE 74 4.233 -3.940 -4.811 650 HD2 PHE 74 HD2 PHE 74 5.947 -1.502 -7.836 651 HE1 PHE 74 HE1 PHE 74 3.417 -5.496 -6.533 652 HE2 PHE 74 HE2 PHE 74 5.132 -3.041 -9.553 653 HZ PHE 74 HZ PHE 74 3.858 -5.047 -8.903 654 H VAL 75 HN VAL 75 2.174 -0.564 -4.868 655 HA VAL 75 HA VAL 75 1.539 -1.356 -2.185 656 HB VAL 75 HB VAL 75 -0.264 -1.181 -4.617 657 HG11 VAL 75 HG11 VAL 75 -2.114 -1.014 -2.997 658 HG12 VAL 75 HG12 VAL 75 -0.969 -1.335 -1.688 659 HG13 VAL 75 HG13 VAL 75 -1.273 -2.561 -2.911 660 HG21 VAL 75 HG21 VAL 75 0.750 0.959 -4.163 661 HG22 VAL 75 HG22 VAL 75 0.330 0.846 -2.463 662 HG23 VAL 75 HG23 VAL 75 -0.944 1.012 -3.678 663 H ILE 76 HN ILE 76 1.360 -3.355 -1.415 664 HA ILE 76 HA ILE 76 1.691 -5.557 -3.324 665 HB ILE 76 HB ILE 76 1.947 -5.612 -0.306 666 HG12 ILE 76 HG12 ILE 76 4.156 -5.463 -2.373 667 HG13 ILE 76 HG11 ILE 76 3.619 -4.108 -1.381 668 HG21 ILE 76 HG21 ILE 76 2.804 -7.581 -2.433 669 HG22 ILE 76 HG22 ILE 76 1.486 -7.798 -1.278 670 HG23 ILE 76 HG23 ILE 76 3.157 -7.720 -0.712 671 HD11 ILE 76 HD11 ILE 76 4.314 -5.274 0.620 672 HD12 ILE 76 HD12 ILE 76 5.661 -5.171 -0.523 673 HD13 ILE 76 HD13 ILE 76 4.764 -6.680 -0.337 674 H SER 77 HN SER 77 -0.332 -4.487 -0.599 675 HA SER 77 HA SER 77 -2.449 -6.244 -1.512 676 HB2 SER 77 HB2 SER 77 -1.332 -6.312 1.301 677 HB3 SER 77 HB1 SER 77 -2.752 -7.200 0.738 678 HG SER 77 HG SER 77 -0.883 -7.783 -0.935 679 H VAL 78 HN VAL 78 -4.495 -5.516 -0.891 680 HA VAL 78 HA VAL 78 -4.726 -3.251 0.853 681 HB VAL 78 HB VAL 78 -4.238 -2.196 -1.330 682 HG11 VAL 78 HG11 VAL 78 -6.663 -3.637 -2.365 683 HG12 VAL 78 HG12 VAL 78 -4.989 -3.917 -2.839 684 HG13 VAL 78 HG13 VAL 78 -5.771 -2.382 -3.226 685 HG21 VAL 78 HG21 VAL 78 -5.728 -1.024 0.177 686 HG22 VAL 78 HG22 VAL 78 -7.117 -1.866 -0.510 687 HG23 VAL 78 HG23 VAL 78 -6.196 -0.732 -1.499 688 H GLY 79 HN GLY 79 -6.737 -3.179 1.812 689 HA2 GLY 79 HA2 GLY 79 -9.179 -3.885 1.055 690 HA3 GLY 79 HA1 GLY 79 -8.458 -5.464 1.382 691 H LYS 80 HN LYS 80 -9.897 -5.752 3.191 692 HA LYS 80 HA LYS 80 -9.386 -3.933 5.415 693 HB2 LYS 80 HB2 LYS 80 -11.141 -6.397 5.403 694 HB3 LYS 80 HB1 LYS 80 -11.036 -5.199 6.675 695 HG2 LYS 80 HG2 LYS 80 -11.931 -3.531 5.007 696 HG3 LYS 80 HG1 LYS 80 -12.259 -4.905 3.951 697 HD2 LYS 80 HD2 LYS 80 -13.400 -4.417 6.709 698 HD3 LYS 80 HD1 LYS 80 -14.271 -4.362 5.178 699 HE2 LYS 80 HE2 LYS 80 -12.988 -6.814 6.406 700 HE3 LYS 80 HE1 LYS 80 -14.701 -6.435 6.421 701 HZ1 LYS 80 HZ1 LYS 80 -13.145 -6.803 3.928 702 HZ2 LYS 80 HZ2 LYS 80 -14.829 -6.752 4.086 703 HZ3 LYS 80 HZ3 LYS 80 -13.933 -8.039 4.744 704 H ALA 81 HN ALA 81 -8.453 -4.678 7.330 705 HA ALA 81 HA ALA 81 -6.648 -6.872 6.824 706 HB1 ALA 81 HB1 ALA 81 -6.799 -5.094 9.252 707 HB2 ALA 81 HB2 ALA 81 -5.734 -4.831 7.866 708 HB3 ALA 81 HB3 ALA 81 -5.517 -6.250 8.893 709 H GLU 82 HN GLU 82 -8.462 -8.244 6.676 710 HA GLU 82 HA GLU 82 -9.509 -9.147 9.227 711 HB2 GLU 82 HB2 GLU 82 -11.110 -10.475 7.756 712 HB3 GLU 82 HB1 GLU 82 -11.287 -8.731 7.674 713 HG2 GLU 82 HG2 GLU 82 -9.957 -8.737 5.584 714 HG3 GLU 82 HG1 GLU 82 -9.901 -10.492 5.662 715 H ALA 83 HN ALA 83 -8.729 -10.890 10.115 716 HA ALA 83 HA ALA 83 -7.551 -12.775 10.537 717 HB1 ALA 83 HB1 ALA 83 -7.662 -14.596 8.919 718 HB2 ALA 83 HB2 ALA 83 -8.139 -13.465 7.654 719 HB3 ALA 83 HB3 ALA 83 -9.215 -13.765 9.016 720 H SER 84 HN SER 84 -6.219 -10.393 9.257 721 HA SER 84 HA SER 84 -4.174 -9.673 8.666 722 HB2 SER 84 HB2 SER 84 -3.251 -12.383 9.653 723 HB3 SER 84 HB1 SER 84 -2.257 -10.931 9.502 724 HG SER 84 HG SER 84 -4.252 -10.131 10.897 725 H GLU 85 HN GLU 85 -5.792 -10.982 6.658 726 HA GLU 85 HA GLU 85 -4.497 -12.689 4.887 727 HB2 GLU 85 HB2 GLU 85 -6.861 -11.915 4.794 728 HB3 GLU 85 HB1 GLU 85 -6.297 -10.353 4.234 729 HG2 GLU 85 HG2 GLU 85 -7.042 -11.516 2.325 730 HG3 GLU 85 HG1 GLU 85 -5.281 -11.556 2.265 731 H VAL 86 HN VAL 86 -4.586 -9.159 4.894 732 HA VAL 86 HA VAL 86 -2.936 -8.807 2.653 733 HB VAL 86 HB VAL 86 -2.853 -6.412 3.265 734 HG11 VAL 86 HG11 VAL 86 -4.736 -7.263 1.986 735 HG12 VAL 86 HG12 VAL 86 -5.266 -5.987 3.078 736 HG13 VAL 86 HG13 VAL 86 -5.582 -7.674 3.478 737 HG21 VAL 86 HG21 VAL 86 -2.759 -6.622 5.701 738 HG22 VAL 86 HG22 VAL 86 -4.396 -7.274 5.721 739 HG23 VAL 86 HG23 VAL 86 -4.118 -5.605 5.222 740 H TYR 87 HN TYR 87 -2.052 -9.513 5.861 741 HA TYR 87 HA TYR 87 0.597 -8.352 5.480 742 HB2 TYR 87 HB2 TYR 87 -0.533 -9.828 7.871 743 HB3 TYR 87 HB1 TYR 87 1.073 -9.128 7.786 744 HD1 TYR 87 HD1 TYR 87 1.327 -6.644 7.581 745 HD2 TYR 87 HD2 TYR 87 -2.420 -8.473 8.420 746 HE1 TYR 87 HE1 TYR 87 0.466 -4.493 8.394 747 HE2 TYR 87 HE2 TYR 87 -3.292 -6.324 9.236 748 HH TYR 87 HH TYR 87 -1.673 -3.396 8.678 749 H SER 88 HN SER 88 -0.992 -11.457 5.793 750 HA SER 88 HA SER 88 1.368 -12.995 5.845 751 HB2 SER 88 HB2 SER 88 -1.444 -13.809 5.129 752 HB3 SER 88 HB1 SER 88 -0.130 -14.905 5.585 753 HG SER 88 HG SER 88 -1.655 -13.150 7.119 754 H GLU 89 HN GLU 89 -0.871 -12.152 3.152 755 HA GLU 89 HA GLU 89 0.662 -13.751 1.366 756 HB2 GLU 89 HB2 GLU 89 -0.657 -12.822 -0.446 757 HB3 GLU 89 HB1 GLU 89 -1.672 -13.368 0.881 758 HG2 GLU 89 HG2 GLU 89 -2.135 -11.125 1.524 759 HG3 GLU 89 HG1 GLU 89 -0.917 -10.498 0.407 760 H ALA 90 HN ALA 90 0.787 -10.490 2.364 761 HA ALA 90 HA ALA 90 2.361 -9.397 0.334 762 HB1 ALA 90 HB1 ALA 90 2.985 -7.671 1.944 763 HB2 ALA 90 HB2 ALA 90 2.383 -8.672 3.263 764 HB3 ALA 90 HB3 ALA 90 1.263 -8.034 2.058 765 H VAL 91 HN VAL 91 3.358 -10.816 3.436 766 HA VAL 91 HA VAL 91 6.098 -10.589 2.847 767 HB VAL 91 HB VAL 91 5.388 -10.738 5.167 768 HG11 VAL 91 HG11 VAL 91 4.621 -12.810 6.198 769 HG12 VAL 91 HG12 VAL 91 4.545 -13.561 4.603 770 HG13 VAL 91 HG13 VAL 91 3.491 -12.203 4.987 771 HG21 VAL 91 HG21 VAL 91 7.122 -13.060 4.369 772 HG22 VAL 91 HG22 VAL 91 6.953 -12.425 6.005 773 HG23 VAL 91 HG23 VAL 91 7.639 -11.410 4.738 774 H LYS 92 HN LYS 92 3.852 -13.274 2.347 775 HA LYS 92 HA LYS 92 5.873 -15.076 1.488 776 HB2 LYS 92 HB2 LYS 92 2.918 -15.130 1.412 777 HB3 LYS 92 HB1 LYS 92 3.747 -16.159 0.257 778 HG2 LYS 92 HG2 LYS 92 3.266 -17.488 2.156 779 HG3 LYS 92 HG1 LYS 92 4.990 -17.153 2.188 780 HD2 LYS 92 HD2 LYS 92 4.646 -15.426 3.849 781 HD3 LYS 92 HD1 LYS 92 2.900 -15.696 3.806 782 HE2 LYS 92 HE2 LYS 92 5.040 -17.625 4.715 783 HE3 LYS 92 HE1 LYS 92 3.832 -16.826 5.716 784 HZ1 LYS 92 HZ1 LYS 92 3.316 -18.892 3.641 785 HZ2 LYS 92 HZ2 LYS 92 2.105 -18.070 4.469 786 HZ3 LYS 92 HZ3 LYS 92 3.152 -19.073 5.304 787 H ARG 93 HN ARG 93 4.449 -12.448 -0.113 788 HA ARG 93 HA ARG 93 4.843 -13.494 -2.770 789 HB2 ARG 93 HB2 ARG 93 3.211 -11.638 -2.084 790 HB3 ARG 93 HB1 ARG 93 4.619 -10.593 -2.024 791 HG2 ARG 93 HG2 ARG 93 5.029 -11.518 -4.448 792 HG3 ARG 93 HG1 ARG 93 3.294 -11.830 -4.381 793 HD2 ARG 93 HD2 ARG 93 3.625 -9.670 -5.325 794 HD3 ARG 93 HD1 ARG 93 2.980 -9.460 -3.691 795 HE ARG 93 HE ARG 93 5.732 -9.506 -3.511 796 HH11 ARG 93 HH11 ARG 93 3.378 -7.425 -5.090 797 HH12 ARG 93 HH12 ARG 93 4.281 -6.003 -4.871 798 HH21 ARG 93 HH21 ARG 93 6.989 -7.683 -3.277 799 HH22 ARG 93 HH22 ARG 93 6.495 -6.146 -3.769 800 H ILE 94 HN ILE 94 6.687 -11.832 -0.393 801 HA ILE 94 HA ILE 94 8.677 -10.951 -2.332 802 HB ILE 94 HB ILE 94 8.520 -10.451 0.653 803 HG12 ILE 94 HG12 ILE 94 7.819 -8.615 -1.646 804 HG13 ILE 94 HG11 ILE 94 6.640 -9.500 -0.687 805 HG21 ILE 94 HG21 ILE 94 10.808 -10.276 -0.229 806 HG22 ILE 94 HG22 ILE 94 10.184 -8.683 0.206 807 HG23 ILE 94 HG23 ILE 94 10.242 -9.174 -1.485 808 HD11 ILE 94 HD11 ILE 94 6.807 -7.202 0.008 809 HD12 ILE 94 HD12 ILE 94 8.534 -7.403 0.324 810 HD13 ILE 94 HD13 ILE 94 7.340 -8.290 1.288 811 H LEU 95 HN LEU 95 8.731 -12.588 0.848 812 HA LEU 95 HA LEU 95 10.513 -14.567 -0.164 813 HB2 LEU 95 HB2 LEU 95 12.042 -12.689 0.358 814 HB3 LEU 95 HB1 LEU 95 11.416 -12.626 1.985 815 HG LEU 95 HG LEU 95 12.348 -14.865 2.428 816 HD11 LEU 95 HD11 LEU 95 13.931 -15.821 0.813 817 HD12 LEU 95 HD12 LEU 95 13.443 -14.598 -0.358 818 HD13 LEU 95 HD13 LEU 95 12.277 -15.797 0.206 819 HD21 LEU 95 HD21 LEU 95 14.700 -14.197 2.427 820 HD22 LEU 95 HD22 LEU 95 13.654 -12.878 2.957 821 HD23 LEU 95 HD23 LEU 95 14.324 -12.872 1.327 Start of MODEL 7 1 H MET 1 H MET 1 11.124 15.131 -1.227 2 HA MET 1 HA MET 1 11.857 14.610 -4.024 3 HB2 MET 1 HB2 MET 1 13.653 14.035 -2.383 4 HB3 MET 1 HB1 MET 1 12.482 13.046 -1.513 5 HG2 MET 1 HG2 MET 1 13.954 11.686 -2.898 6 HG3 MET 1 HG1 MET 1 12.275 11.575 -3.428 7 HE1 MET 1 HE1 MET 1 14.357 11.245 -6.744 8 HE2 MET 1 HE2 MET 1 13.168 10.476 -5.694 9 HE3 MET 1 HE3 MET 1 14.836 10.661 -5.151 10 H ALA 2 HN ALA 2 10.631 13.047 -4.963 11 HA ALA 2 HA ALA 2 8.452 11.944 -3.356 12 HB1 ALA 2 HB1 ALA 2 8.188 13.040 -6.157 13 HB2 ALA 2 HB2 ALA 2 7.564 13.798 -4.692 14 HB3 ALA 2 HB3 ALA 2 6.914 12.250 -5.227 15 H TYR 3 HN TYR 3 7.560 10.027 -4.311 16 HA TYR 3 HA TYR 3 9.607 8.540 -5.803 17 HB2 TYR 3 HB2 TYR 3 7.671 7.573 -3.684 18 HB3 TYR 3 HB1 TYR 3 8.674 6.519 -4.659 19 HD1 TYR 3 HD2 TYR 3 9.383 9.653 -2.693 20 HD2 TYR 3 HD1 TYR 3 10.315 5.555 -3.349 21 HE1 TYR 3 HE2 TYR 3 11.098 9.780 -0.962 22 HE2 TYR 3 HE1 TYR 3 12.044 5.676 -1.602 23 HH TYR 3 HH TYR 3 13.410 7.300 -0.471 24 H PHE 4 HN PHE 4 8.566 6.610 -6.895 25 HA PHE 4 HA PHE 4 6.223 7.477 -8.368 26 HB2 PHE 4 HB2 PHE 4 7.994 5.033 -8.602 27 HB3 PHE 4 HB1 PHE 4 6.641 5.348 -9.672 28 HD1 PHE 4 HD1 PHE 4 6.753 7.374 -11.171 29 HD2 PHE 4 HD2 PHE 4 10.099 5.994 -8.932 30 HE1 PHE 4 HE1 PHE 4 8.260 8.647 -12.641 31 HE2 PHE 4 HE2 PHE 4 11.609 7.269 -10.391 32 HZ PHE 4 HZ PHE 4 10.690 8.600 -12.249 33 H LEU 5 HN LEU 5 4.332 6.051 -8.501 34 HA LEU 5 HA LEU 5 4.050 4.307 -6.142 35 HB2 LEU 5 HB2 LEU 5 2.746 6.564 -6.162 36 HB3 LEU 5 HB1 LEU 5 1.821 5.880 -7.459 37 HG LEU 5 HG LEU 5 0.609 5.805 -5.317 38 HD11 LEU 5 HD11 LEU 5 -0.067 3.470 -5.297 39 HD12 LEU 5 HD12 LEU 5 1.288 3.082 -6.360 40 HD13 LEU 5 HD13 LEU 5 0.000 4.149 -6.923 41 HD21 LEU 5 HD21 LEU 5 1.289 4.278 -3.542 42 HD22 LEU 5 HD22 LEU 5 2.461 5.567 -3.779 43 HD23 LEU 5 HD23 LEU 5 2.792 3.948 -4.399 44 H ASP 6 HN ASP 6 3.534 2.244 -6.709 45 HA ASP 6 HA ASP 6 2.359 1.808 -9.362 46 HB2 ASP 6 HB2 ASP 6 4.881 1.417 -9.356 47 HB3 ASP 6 HB1 ASP 6 4.556 0.138 -8.182 48 H PHE 7 HN PHE 7 1.277 -0.246 -9.508 49 HA PHE 7 HA PHE 7 0.381 -1.271 -6.890 50 HB2 PHE 7 HB2 PHE 7 -1.307 -0.854 -9.381 51 HB3 PHE 7 HB1 PHE 7 -1.821 -1.750 -7.975 52 HD1 PHE 7 HD2 PHE 7 -2.413 -0.610 -5.921 53 HD2 PHE 7 HD1 PHE 7 -1.246 1.560 -9.386 54 HE1 PHE 7 HE2 PHE 7 -3.390 1.437 -4.964 55 HE2 PHE 7 HE1 PHE 7 -2.220 3.608 -8.440 56 HZ PHE 7 HZ PHE 7 -3.295 3.549 -6.225 57 H ASP 8 HN ASP 8 0.564 -3.439 -6.677 58 HA ASP 8 HA ASP 8 1.497 -5.026 -8.833 59 HB2 ASP 8 HB2 ASP 8 1.993 -5.639 -6.501 60 HB3 ASP 8 HB1 ASP 8 0.272 -5.892 -6.206 61 H GLU 9 HN GLU 9 0.293 -6.752 -9.904 62 HA GLU 9 HA GLU 9 -2.227 -5.891 -10.670 63 HB2 GLU 9 HB2 GLU 9 -2.439 -8.073 -11.902 64 HB3 GLU 9 HB1 GLU 9 -1.021 -7.128 -12.289 65 HG2 GLU 9 HG2 GLU 9 -0.255 -9.326 -12.229 66 HG3 GLU 9 HG1 GLU 9 0.220 -8.673 -10.671 67 H ARG 10 HN ARG 10 -1.348 -8.129 -8.123 68 HA ARG 10 HA ARG 10 -3.979 -9.146 -7.782 69 HB2 ARG 10 HB2 ARG 10 -1.755 -8.909 -5.758 70 HB3 ARG 10 HB1 ARG 10 -3.203 -9.884 -5.578 71 HG2 ARG 10 HG2 ARG 10 -2.512 -11.244 -7.470 72 HG3 ARG 10 HG1 ARG 10 -1.040 -10.280 -7.619 73 HD2 ARG 10 HD2 ARG 10 -0.418 -10.907 -5.349 74 HD3 ARG 10 HD1 ARG 10 -1.888 -11.872 -5.224 75 HE ARG 10 HE ARG 10 -0.155 -12.505 -7.419 76 HH11 ARG 10 HH11 ARG 10 -1.242 -13.285 -4.113 77 HH12 ARG 10 HH12 ARG 10 -0.442 -14.775 -4.044 78 HH21 ARG 10 HH21 ARG 10 0.930 -14.652 -7.318 79 HH22 ARG 10 HH22 ARG 10 0.774 -15.583 -5.902 80 H ALA 11 HN ALA 11 -2.110 -6.585 -6.348 81 HA ALA 11 HA ALA 11 -4.019 -5.739 -4.455 82 HB1 ALA 11 HB1 ALA 11 -1.785 -4.166 -5.723 83 HB2 ALA 11 HB2 ALA 11 -1.647 -5.178 -4.285 84 HB3 ALA 11 HB3 ALA 11 -2.664 -3.735 -4.257 85 H LEU 12 HN LEU 12 -3.487 -5.014 -7.806 86 HA LEU 12 HA LEU 12 -5.058 -2.652 -7.835 87 HB2 LEU 12 HB2 LEU 12 -3.219 -3.397 -9.481 88 HB3 LEU 12 HB1 LEU 12 -4.454 -4.415 -10.159 89 HG LEU 12 HG LEU 12 -5.779 -2.558 -10.889 90 HD11 LEU 12 HD11 LEU 12 -3.731 -0.803 -9.528 91 HD12 LEU 12 HD12 LEU 12 -5.421 -1.003 -9.048 92 HD13 LEU 12 HD13 LEU 12 -5.024 -0.244 -10.584 93 HD21 LEU 12 HD21 LEU 12 -2.867 -2.135 -11.530 94 HD22 LEU 12 HD22 LEU 12 -4.234 -1.528 -12.468 95 HD23 LEU 12 HD23 LEU 12 -3.956 -3.265 -12.336 96 H LYS 13 HN LYS 13 -5.635 -6.040 -8.439 97 HA LYS 13 HA LYS 13 -8.321 -5.831 -9.329 98 HB2 LYS 13 HB2 LYS 13 -6.931 -8.021 -7.810 99 HB3 LYS 13 HB1 LYS 13 -8.485 -8.199 -8.613 100 HG2 LYS 13 HG2 LYS 13 -7.492 -7.949 -10.747 101 HG3 LYS 13 HG1 LYS 13 -5.957 -7.442 -10.035 102 HD2 LYS 13 HD2 LYS 13 -5.754 -9.596 -8.965 103 HD3 LYS 13 HD1 LYS 13 -7.231 -10.162 -9.764 104 HE2 LYS 13 HE2 LYS 13 -4.657 -9.268 -11.080 105 HE3 LYS 13 HE1 LYS 13 -5.245 -10.921 -10.958 106 HZ1 LYS 13 HZ1 LYS 13 -6.595 -8.748 -12.483 107 HZ2 LYS 13 HZ2 LYS 13 -7.077 -10.359 -12.397 108 HZ3 LYS 13 HZ3 LYS 13 -5.621 -9.961 -13.127 109 H GLU 14 HN GLU 14 -6.822 -6.219 -6.138 110 HA GLU 14 HA GLU 14 -9.182 -6.343 -4.627 111 HB2 GLU 14 HB2 GLU 14 -6.459 -5.289 -3.856 112 HB3 GLU 14 HB1 GLU 14 -7.738 -5.714 -2.729 113 HG2 GLU 14 HG2 GLU 14 -6.408 -7.595 -4.637 114 HG3 GLU 14 HG1 GLU 14 -6.002 -7.476 -2.936 115 H TRP 15 HN TRP 15 -7.189 -3.694 -5.700 116 HA TRP 15 HA TRP 15 -8.384 -1.513 -4.450 117 HB2 TRP 15 HB2 TRP 15 -6.219 -1.493 -5.602 118 HB3 TRP 15 HB1 TRP 15 -7.021 -1.775 -7.136 119 HD1 TRP 15 HD1 TRP 15 -7.825 0.304 -8.440 120 HE1 TRP 15 HE1 TRP 15 -7.677 2.865 -8.007 121 HE3 TRP 15 HE3 TRP 15 -6.290 0.206 -3.587 122 HZ2 TRP 15 HZ2 TRP 15 -6.985 4.560 -5.895 123 HZ3 TRP 15 HZ3 TRP 15 -5.893 2.331 -2.425 124 HH2 TRP 15 HH2 TRP 15 -6.230 4.455 -3.543 125 H ARG 16 HN ARG 16 -9.140 -3.136 -7.476 126 HA ARG 16 HA ARG 16 -11.250 -1.355 -8.227 127 HB2 ARG 16 HB2 ARG 16 -10.555 -4.128 -9.196 128 HB3 ARG 16 HB1 ARG 16 -11.754 -3.082 -9.950 129 HG2 ARG 16 HG2 ARG 16 -10.056 -1.475 -10.530 130 HG3 ARG 16 HG1 ARG 16 -8.845 -2.386 -9.634 131 HD2 ARG 16 HD2 ARG 16 -9.148 -4.270 -11.140 132 HD3 ARG 16 HD1 ARG 16 -10.337 -3.353 -12.068 133 HE ARG 16 HE ARG 16 -8.297 -1.720 -12.206 134 HH11 ARG 16 HH11 ARG 16 -8.236 -5.250 -12.510 135 HH12 ARG 16 HH12 ARG 16 -6.924 -5.291 -13.575 136 HH21 ARG 16 HH21 ARG 16 -6.487 -1.761 -13.740 137 HH22 ARG 16 HH22 ARG 16 -5.944 -3.240 -14.339 138 H LYS 17 HN LYS 17 -11.005 -4.335 -6.490 139 HA LYS 17 HA LYS 17 -13.779 -4.902 -6.261 140 HB2 LYS 17 HB2 LYS 17 -12.136 -6.667 -6.098 141 HB3 LYS 17 HB1 LYS 17 -11.318 -5.861 -4.790 142 HG2 LYS 17 HG2 LYS 17 -14.139 -6.811 -4.418 143 HG3 LYS 17 HG1 LYS 17 -12.826 -7.974 -4.351 144 HD2 LYS 17 HD2 LYS 17 -13.070 -5.502 -2.619 145 HD3 LYS 17 HD1 LYS 17 -13.501 -7.136 -2.119 146 HE2 LYS 17 HE2 LYS 17 -10.722 -6.220 -2.933 147 HE3 LYS 17 HE1 LYS 17 -11.284 -6.471 -1.291 148 HZ1 LYS 17 HZ1 LYS 17 -11.533 -8.783 -1.689 149 HZ2 LYS 17 HZ2 LYS 17 -9.996 -8.364 -2.206 150 HZ3 LYS 17 HZ3 LYS 17 -11.225 -8.634 -3.333 151 H LEU 18 HN LEU 18 -11.564 -2.951 -4.506 152 HA LEU 18 HA LEU 18 -12.944 -2.616 -2.093 153 HB2 LEU 18 HB2 LEU 18 -10.660 -1.465 -3.390 154 HB3 LEU 18 HB1 LEU 18 -11.639 -0.210 -2.673 155 HG LEU 18 HG LEU 18 -11.475 -1.287 -0.496 156 HD11 LEU 18 HD11 LEU 18 -9.950 -3.161 -0.140 157 HD12 LEU 18 HD12 LEU 18 -9.693 -3.286 -1.880 158 HD13 LEU 18 HD13 LEU 18 -11.284 -3.612 -1.197 159 HD21 LEU 18 HD21 LEU 18 -9.854 0.377 -1.136 160 HD22 LEU 18 HD22 LEU 18 -8.829 -0.869 -1.854 161 HD23 LEU 18 HD23 LEU 18 -9.114 -0.852 -0.111 162 H GLY 19 HN GLY 19 -14.160 -0.941 -1.330 163 HA2 GLY 19 HA2 GLY 19 -16.181 0.032 -3.045 164 HA3 GLY 19 HA1 GLY 19 -15.914 0.485 -1.362 165 H SER 20 HN SER 20 -16.525 2.040 -3.833 166 HA SER 20 HA SER 20 -14.514 3.469 -4.907 167 HB2 SER 20 HB2 SER 20 -17.186 4.565 -4.086 168 HB3 SER 20 HB1 SER 20 -16.192 5.054 -5.462 169 HG SER 20 HG SER 20 -17.992 3.557 -5.859 170 H THR 21 HN THR 21 -16.317 4.366 -1.968 171 HA THR 21 HA THR 21 -14.972 6.798 -1.533 172 HB THR 21 HB THR 21 -16.431 5.089 0.492 173 HG1 THR 21 HG1 THR 21 -17.366 6.897 -1.497 174 HG21 THR 21 HG21 THR 21 -15.235 7.031 1.441 175 HG22 THR 21 HG22 THR 21 -16.983 7.256 1.527 176 HG23 THR 21 HG23 THR 21 -16.048 8.087 0.288 177 H VAL 22 HN VAL 22 -14.401 3.501 -0.494 178 HA VAL 22 HA VAL 22 -12.508 4.109 1.540 179 HB VAL 22 HB VAL 22 -13.010 1.533 0.009 180 HG11 VAL 22 HG11 VAL 22 -11.352 1.970 2.493 181 HG12 VAL 22 HG12 VAL 22 -10.733 1.551 0.896 182 HG13 VAL 22 HG13 VAL 22 -11.744 0.407 1.779 183 HG21 VAL 22 HG21 VAL 22 -14.890 2.270 1.387 184 HG22 VAL 22 HG22 VAL 22 -13.824 2.385 2.787 185 HG23 VAL 22 HG23 VAL 22 -14.144 0.816 2.053 186 H ARG 23 HN ARG 23 -12.228 3.029 -1.814 187 HA ARG 23 HA ARG 23 -9.406 3.098 -1.739 188 HB2 ARG 23 HB2 ARG 23 -9.488 2.910 -4.222 189 HB3 ARG 23 HB1 ARG 23 -10.348 1.660 -3.333 190 HG2 ARG 23 HG2 ARG 23 -12.385 2.422 -3.927 191 HG3 ARG 23 HG1 ARG 23 -11.852 4.032 -4.371 192 HD2 ARG 23 HD2 ARG 23 -10.672 3.130 -6.239 193 HD3 ARG 23 HD1 ARG 23 -11.055 1.475 -5.764 194 HE ARG 23 HE ARG 23 -13.095 3.448 -6.588 195 HH11 ARG 23 HH11 ARG 23 -11.825 0.123 -6.606 196 HH12 ARG 23 HH12 ARG 23 -13.120 -0.498 -7.513 197 HH21 ARG 23 HH21 ARG 23 -14.883 2.542 -7.809 198 HH22 ARG 23 HH22 ARG 23 -14.870 0.895 -8.217 199 H GLU 24 HN GLU 24 -11.783 5.514 -2.671 200 HA GLU 24 HA GLU 24 -10.035 7.316 -3.881 201 HB2 GLU 24 HB2 GLU 24 -12.504 7.817 -2.249 202 HB3 GLU 24 HB1 GLU 24 -11.658 9.092 -3.128 203 HG2 GLU 24 HG2 GLU 24 -12.054 7.858 -5.208 204 HG3 GLU 24 HG1 GLU 24 -12.936 6.637 -4.294 205 H GLN 25 HN GLN 25 -10.959 7.069 -0.463 206 HA GLN 25 HA GLN 25 -9.245 9.152 0.357 207 HB2 GLN 25 HB2 GLN 25 -10.764 7.037 1.767 208 HB3 GLN 25 HB1 GLN 25 -9.414 7.746 2.641 209 HG2 GLN 25 HG2 GLN 25 -11.589 8.822 3.136 210 HG3 GLN 25 HG1 GLN 25 -10.388 9.934 2.491 211 HE21 GLN 25 HE21 GLN 25 -13.363 8.281 1.881 212 HE22 GLN 25 HE22 GLN 25 -13.821 9.218 0.499 213 H LEU 26 HN LEU 26 -8.693 5.730 -0.052 214 HA LEU 26 HA LEU 26 -6.120 5.714 1.107 215 HB2 LEU 26 HB2 LEU 26 -7.325 3.933 -0.984 216 HB3 LEU 26 HB1 LEU 26 -5.770 3.636 -0.239 217 HG LEU 26 HG LEU 26 -8.441 3.633 1.193 218 HD11 LEU 26 HD11 LEU 26 -8.132 1.703 -0.217 219 HD12 LEU 26 HD12 LEU 26 -8.032 1.269 1.490 220 HD13 LEU 26 HD13 LEU 26 -6.561 1.399 0.524 221 HD21 LEU 26 HD21 LEU 26 -5.658 3.091 2.233 222 HD22 LEU 26 HD22 LEU 26 -7.150 2.808 3.122 223 HD23 LEU 26 HD23 LEU 26 -6.691 4.451 2.685 224 H LYS 27 HN LYS 27 -7.182 6.135 -2.267 225 HA LYS 27 HA LYS 27 -4.616 6.445 -3.364 226 HB2 LYS 27 HB2 LYS 27 -6.652 6.135 -4.704 227 HB3 LYS 27 HB1 LYS 27 -7.170 7.750 -4.253 228 HG2 LYS 27 HG2 LYS 27 -5.128 8.647 -5.285 229 HG3 LYS 27 HG1 LYS 27 -4.720 7.027 -5.863 230 HD2 LYS 27 HD2 LYS 27 -5.766 8.177 -7.668 231 HD3 LYS 27 HD1 LYS 27 -6.949 7.026 -7.038 232 HE2 LYS 27 HE2 LYS 27 -7.964 8.860 -5.711 233 HE3 LYS 27 HE1 LYS 27 -6.800 9.969 -6.434 234 HZ1 LYS 27 HZ1 LYS 27 -7.734 9.454 -8.598 235 HZ2 LYS 27 HZ2 LYS 27 -8.889 10.070 -7.560 236 HZ3 LYS 27 HZ3 LYS 27 -8.860 8.414 -7.886 237 H LYS 28 HN LYS 28 -6.855 8.818 -2.044 238 HA LYS 28 HA LYS 28 -5.346 11.133 -2.493 239 HB2 LYS 28 HB2 LYS 28 -7.236 10.524 -0.213 240 HB3 LYS 28 HB1 LYS 28 -6.589 12.119 -0.572 241 HG2 LYS 28 HG2 LYS 28 -7.712 12.172 -2.674 242 HG3 LYS 28 HG1 LYS 28 -8.245 10.500 -2.485 243 HD2 LYS 28 HD2 LYS 28 -9.519 11.184 -0.478 244 HD3 LYS 28 HD1 LYS 28 -9.037 12.854 -0.783 245 HE2 LYS 28 HE2 LYS 28 -10.174 12.839 -2.902 246 HE3 LYS 28 HE1 LYS 28 -10.562 11.128 -2.726 247 HZ1 LYS 28 HZ1 LYS 28 -11.556 13.330 -0.999 248 HZ2 LYS 28 HZ2 LYS 28 -11.889 11.692 -0.774 249 HZ3 LYS 28 HZ3 LYS 28 -12.450 12.493 -2.166 250 H LYS 29 HN LYS 29 -5.205 8.754 0.060 251 HA LYS 29 HA LYS 29 -3.232 10.088 1.587 252 HB2 LYS 29 HB2 LYS 29 -4.714 7.668 1.798 253 HB3 LYS 29 HB1 LYS 29 -3.003 7.310 2.003 254 HG2 LYS 29 HG2 LYS 29 -3.959 7.753 4.158 255 HG3 LYS 29 HG1 LYS 29 -2.895 9.092 3.731 256 HD2 LYS 29 HD2 LYS 29 -4.881 10.373 2.985 257 HD3 LYS 29 HD1 LYS 29 -5.901 9.041 3.526 258 HE2 LYS 29 HE2 LYS 29 -5.877 10.684 5.271 259 HE3 LYS 29 HE1 LYS 29 -4.909 9.286 5.765 260 HZ1 LYS 29 HZ1 LYS 29 -2.904 10.473 5.400 261 HZ2 LYS 29 HZ2 LYS 29 -3.900 11.564 6.216 262 HZ3 LYS 29 HZ3 LYS 29 -3.682 11.698 4.561 263 H LEU 30 HN LEU 30 -3.113 7.775 -1.029 264 HA LEU 30 HA LEU 30 -0.354 7.275 -0.899 265 HB2 LEU 30 HB2 LEU 30 -2.179 7.175 -3.293 266 HB3 LEU 30 HB1 LEU 30 -0.561 6.516 -3.233 267 HG LEU 30 HG LEU 30 -2.929 5.564 -1.632 268 HD11 LEU 30 HD11 LEU 30 -3.036 4.962 -3.981 269 HD12 LEU 30 HD12 LEU 30 -2.729 3.549 -2.975 270 HD13 LEU 30 HD13 LEU 30 -1.411 4.286 -3.888 271 HD21 LEU 30 HD21 LEU 30 -1.430 3.764 -0.886 272 HD22 LEU 30 HD22 LEU 30 -0.902 5.355 -0.346 273 HD23 LEU 30 HD23 LEU 30 -0.079 4.568 -1.693 274 H VAL 31 HN VAL 31 -2.230 9.615 -2.752 275 HA VAL 31 HA VAL 31 0.017 10.639 -4.097 276 HB VAL 31 HB VAL 31 -2.310 10.917 -4.934 277 HG11 VAL 31 HG11 VAL 31 -3.742 12.709 -4.152 278 HG12 VAL 31 HG12 VAL 31 -2.588 13.047 -2.859 279 HG13 VAL 31 HG13 VAL 31 -3.430 11.501 -2.899 280 HG21 VAL 31 HG21 VAL 31 -0.799 13.508 -4.678 281 HG22 VAL 31 HG22 VAL 31 -2.076 13.150 -5.850 282 HG23 VAL 31 HG23 VAL 31 -0.558 12.256 -5.902 283 H GLU 32 HN GLU 32 -1.507 11.669 -1.041 284 HA GLU 32 HA GLU 32 0.319 13.816 -0.695 285 HB2 GLU 32 HB2 GLU 32 -0.409 13.907 1.673 286 HB3 GLU 32 HB1 GLU 32 -1.784 13.820 0.583 287 HG2 GLU 32 HG2 GLU 32 -2.108 11.540 1.065 288 HG3 GLU 32 HG1 GLU 32 -0.634 11.458 2.022 289 H VAL 33 HN VAL 33 0.361 10.427 0.309 290 HA VAL 33 HA VAL 33 2.547 10.677 2.016 291 HB VAL 33 HB VAL 33 0.823 8.708 1.783 292 HG11 VAL 33 HG11 VAL 33 1.444 7.975 -0.435 293 HG12 VAL 33 HG12 VAL 33 1.674 6.688 0.749 294 HG13 VAL 33 HG13 VAL 33 3.065 7.576 0.133 295 HG21 VAL 33 HG21 VAL 33 2.388 7.214 3.027 296 HG22 VAL 33 HG22 VAL 33 2.309 8.868 3.623 297 HG23 VAL 33 HG23 VAL 33 3.680 8.357 2.650 298 H LEU 34 HN LEU 34 2.437 10.281 -1.400 299 HA LEU 34 HA LEU 34 4.956 9.236 -1.922 300 HB2 LEU 34 HB2 LEU 34 3.347 11.194 -3.518 301 HB3 LEU 34 HB1 LEU 34 4.860 10.526 -4.089 302 HG LEU 34 HG LEU 34 2.390 8.925 -3.427 303 HD11 LEU 34 HD11 LEU 34 3.618 9.644 -6.091 304 HD12 LEU 34 HD12 LEU 34 2.131 10.316 -5.428 305 HD13 LEU 34 HD13 LEU 34 2.212 8.606 -5.836 306 HD21 LEU 34 HD21 LEU 34 3.635 7.073 -4.480 307 HD22 LEU 34 HD22 LEU 34 4.433 7.652 -3.031 308 HD23 LEU 34 HD23 LEU 34 5.047 8.115 -4.619 309 H GLU 35 HN GLU 35 4.310 12.455 -0.759 310 HA GLU 35 HA GLU 35 6.953 13.233 -1.592 311 HB2 GLU 35 HB2 GLU 35 6.431 15.455 -0.580 312 HB3 GLU 35 HB1 GLU 35 5.311 14.953 -1.830 313 HG2 GLU 35 HG2 GLU 35 3.843 15.780 -0.296 314 HG3 GLU 35 HG1 GLU 35 3.939 14.108 0.256 315 H SER 36 HN SER 36 5.745 11.519 0.941 316 HA SER 36 HA SER 36 8.297 11.379 2.195 317 HB2 SER 36 HB2 SER 36 7.368 11.876 4.508 318 HB3 SER 36 HB1 SER 36 7.524 13.289 3.464 319 HG SER 36 HG SER 36 5.414 13.389 3.203 320 HA PRO 37 HA PRO 37 5.407 7.686 2.121 321 HB2 PRO 37 HB2 PRO 37 6.819 5.997 0.586 322 HB3 PRO 37 HB1 PRO 37 5.771 7.245 -0.100 323 HG2 PRO 37 HG2 PRO 37 8.735 7.258 0.280 324 HG3 PRO 37 HG1 PRO 37 7.787 7.789 -1.118 325 HD2 PRO 37 HD2 PRO 37 8.791 9.523 0.728 326 HD3 PRO 37 HD1 PRO 37 7.286 9.827 -0.168 327 H ARG 38 HN ARG 38 8.715 8.004 2.880 328 HA ARG 38 HA ARG 38 8.682 5.454 4.195 329 HB2 ARG 38 HB2 ARG 38 11.195 6.028 4.656 330 HB3 ARG 38 HB1 ARG 38 10.677 5.483 3.074 331 HG2 ARG 38 HG2 ARG 38 12.174 7.259 2.670 332 HG3 ARG 38 HG1 ARG 38 10.579 7.925 2.405 333 HD2 ARG 38 HD2 ARG 38 11.942 9.498 3.634 334 HD3 ARG 38 HD1 ARG 38 10.622 8.907 4.651 335 HE ARG 38 HE ARG 38 12.874 7.305 5.058 336 HH11 ARG 38 HH11 ARG 38 11.838 10.613 5.696 337 HH12 ARG 38 HH12 ARG 38 12.765 10.781 7.119 338 HH21 ARG 38 HH21 ARG 38 14.122 7.513 6.978 339 HH22 ARG 38 HH22 ARG 38 14.099 8.954 7.866 340 H ILE 39 HN ILE 39 6.970 6.621 5.419 341 HA ILE 39 HA ILE 39 7.850 8.073 7.761 342 HB ILE 39 HB ILE 39 5.123 6.973 6.973 343 HG12 ILE 39 HG12 ILE 39 6.145 9.808 7.007 344 HG13 ILE 39 HG11 ILE 39 6.067 8.796 5.574 345 HG21 ILE 39 HG21 ILE 39 5.318 7.151 9.420 346 HG22 ILE 39 HG22 ILE 39 4.184 8.332 8.765 347 HG23 ILE 39 HG23 ILE 39 5.799 8.843 9.247 348 HD11 ILE 39 HD11 ILE 39 3.723 9.757 7.214 349 HD12 ILE 39 HD12 ILE 39 3.632 8.686 5.810 350 HD13 ILE 39 HD13 ILE 39 4.237 10.326 5.620 351 H GLU 40 HN GLU 40 8.802 6.959 9.358 352 HA GLU 40 HA GLU 40 8.835 4.157 9.449 353 HB2 GLU 40 HB2 GLU 40 10.073 4.357 11.562 354 HB3 GLU 40 HB1 GLU 40 10.701 5.412 10.310 355 HG2 GLU 40 HG2 GLU 40 9.591 7.309 11.327 356 HG3 GLU 40 HG1 GLU 40 8.897 6.249 12.555 357 H ALA 41 HN ALA 41 6.704 6.401 10.999 358 HA ALA 41 HA ALA 41 5.657 4.694 12.985 359 HB1 ALA 41 HB1 ALA 41 3.748 6.209 13.051 360 HB2 ALA 41 HB2 ALA 41 4.245 6.928 11.522 361 HB3 ALA 41 HB3 ALA 41 5.254 7.122 12.955 362 H ASN 42 HN ASN 42 5.134 4.850 9.560 363 HA ASN 42 HA ASN 42 2.719 3.233 9.733 364 HB2 ASN 42 HB2 ASN 42 4.049 4.575 7.381 365 HB3 ASN 42 HB1 ASN 42 2.699 3.464 7.206 366 HD21 ASN 42 HD21 ASN 42 2.858 6.236 6.481 367 HD22 ASN 42 HD22 ASN 42 1.612 7.053 7.343 368 H LYS 43 HN LYS 43 5.895 2.605 9.792 369 HA LYS 43 HA LYS 43 6.245 0.538 7.903 370 HB2 LYS 43 HB2 LYS 43 7.610 1.197 10.461 371 HB3 LYS 43 HB1 LYS 43 7.931 -0.329 9.661 372 HG2 LYS 43 HG2 LYS 43 8.653 0.883 7.683 373 HG3 LYS 43 HG1 LYS 43 8.327 2.409 8.498 374 HD2 LYS 43 HD2 LYS 43 10.669 1.971 8.629 375 HD3 LYS 43 HD1 LYS 43 9.996 1.754 10.245 376 HE2 LYS 43 HE2 LYS 43 10.704 -0.465 8.295 377 HE3 LYS 43 HE1 LYS 43 11.725 0.064 9.614 378 HZ1 LYS 43 HZ1 LYS 43 9.814 -0.650 11.136 379 HZ2 LYS 43 HZ2 LYS 43 10.685 -1.836 10.370 380 HZ3 LYS 43 HZ3 LYS 43 9.173 -1.474 9.790 381 H LEU 44 HN LEU 44 6.037 -1.593 7.996 382 HA LEU 44 HA LEU 44 4.310 -2.667 10.017 383 HB2 LEU 44 HB2 LEU 44 5.628 -3.894 7.606 384 HB3 LEU 44 HB1 LEU 44 4.656 -4.827 8.727 385 HG LEU 44 HG LEU 44 3.692 -2.521 7.027 386 HD11 LEU 44 HD11 LEU 44 2.336 -4.185 5.953 387 HD12 LEU 44 HD12 LEU 44 3.062 -5.449 6.946 388 HD13 LEU 44 HD13 LEU 44 4.050 -4.570 5.762 389 HD21 LEU 44 HD21 LEU 44 1.481 -3.147 7.848 390 HD22 LEU 44 HD22 LEU 44 2.528 -2.509 9.110 391 HD23 LEU 44 HD23 LEU 44 2.234 -4.253 9.001 392 H ARG 45 HN ARG 45 5.073 -4.982 10.797 393 HA ARG 45 HA ARG 45 7.237 -4.241 12.535 394 HB2 ARG 45 HB2 ARG 45 5.464 -6.679 12.584 395 HB3 ARG 45 HB1 ARG 45 6.488 -6.079 13.877 396 HG2 ARG 45 HG2 ARG 45 4.108 -4.610 12.753 397 HG3 ARG 45 HG1 ARG 45 4.098 -5.576 14.225 398 HD2 ARG 45 HD2 ARG 45 5.873 -3.172 13.778 399 HD3 ARG 45 HD1 ARG 45 4.316 -3.112 14.594 400 HE ARG 45 HE ARG 45 5.548 -4.981 15.994 401 HH11 ARG 45 HH11 ARG 45 6.716 -1.798 14.967 402 HH12 ARG 45 HH12 ARG 45 7.699 -1.552 16.335 403 HH21 ARG 45 HH21 ARG 45 6.829 -4.604 17.890 404 HH22 ARG 45 HH22 ARG 45 7.768 -3.185 18.038 405 H GLY 46 HN GLY 46 6.403 -7.067 10.508 406 HA2 GLY 46 HA2 GLY 46 9.302 -7.620 10.370 407 HA3 GLY 46 HA1 GLY 46 8.128 -8.904 10.624 408 H MET 47 HN MET 47 8.354 -6.152 8.418 409 HA MET 47 HA MET 47 8.192 -8.009 6.161 410 HB2 MET 47 HB2 MET 47 6.546 -5.521 6.528 411 HB3 MET 47 HB1 MET 47 6.635 -6.423 5.034 412 HG2 MET 47 HG2 MET 47 5.562 -7.532 7.630 413 HG3 MET 47 HG1 MET 47 4.571 -6.904 6.317 414 HE1 MET 47 HE1 MET 47 5.148 -9.510 3.482 415 HE2 MET 47 HE2 MET 47 5.947 -7.950 3.698 416 HE3 MET 47 HE3 MET 47 4.216 -8.118 4.016 417 HA PRO 48 HA PRO 48 11.635 -5.494 5.010 418 HB2 PRO 48 HB2 PRO 48 11.730 -6.126 2.336 419 HB3 PRO 48 HB1 PRO 48 12.375 -7.154 3.622 420 HG2 PRO 48 HG2 PRO 48 9.760 -7.336 2.182 421 HG3 PRO 48 HG1 PRO 48 10.858 -8.637 2.673 422 HD2 PRO 48 HD2 PRO 48 8.621 -8.063 4.050 423 HD3 PRO 48 HD1 PRO 48 10.097 -8.625 4.857 424 H ASP 49 HN ASP 49 10.983 -3.457 5.226 425 HA ASP 49 HA ASP 49 10.526 -1.286 4.666 426 HB2 ASP 49 HB2 ASP 49 11.148 -2.359 1.917 427 HB3 ASP 49 HB1 ASP 49 10.725 -0.675 2.185 428 H CYS 50 HN CYS 50 8.318 -2.950 5.062 429 HA CYS 50 HA CYS 50 6.504 -1.950 3.019 430 HB2 CYS 50 HB2 CYS 50 6.063 -4.111 5.072 431 HB3 CYS 50 HB1 CYS 50 4.922 -3.625 3.822 432 HG CYS 50 HG CYS 50 7.919 -4.525 2.617 433 H TYR 51 HN TYR 51 4.814 -0.761 3.547 434 HA TYR 51 HA TYR 51 4.617 0.261 6.277 435 HB2 TYR 51 HB2 TYR 51 4.600 1.867 3.705 436 HB3 TYR 51 HB1 TYR 51 4.272 2.517 5.299 437 HD1 TYR 51 HD1 TYR 51 6.994 0.778 3.382 438 HD2 TYR 51 HD2 TYR 51 6.015 3.552 6.439 439 HE1 TYR 51 HE1 TYR 51 9.371 1.368 3.593 440 HE2 TYR 51 HE2 TYR 51 8.385 4.139 6.663 441 HH TYR 51 HH TYR 51 10.758 3.092 4.382 442 H LYS 52 HN LYS 52 2.500 1.042 6.694 443 HA LYS 52 HA LYS 52 0.483 0.135 4.766 444 HB2 LYS 52 HB2 LYS 52 -0.929 -0.475 6.725 445 HB3 LYS 52 HB1 LYS 52 0.509 -1.478 6.534 446 HG2 LYS 52 HG2 LYS 52 1.628 -0.363 8.301 447 HG3 LYS 52 HG1 LYS 52 0.389 0.885 8.380 448 HD2 LYS 52 HD2 LYS 52 -1.213 -0.706 9.223 449 HD3 LYS 52 HD1 LYS 52 -0.055 -2.031 9.022 450 HE2 LYS 52 HE2 LYS 52 1.398 -1.110 10.648 451 HE3 LYS 52 HE1 LYS 52 0.480 0.382 10.714 452 HZ1 LYS 52 HZ1 LYS 52 -1.366 -0.893 11.673 453 HZ2 LYS 52 HZ2 LYS 52 0.017 -0.965 12.612 454 HZ3 LYS 52 HZ3 LYS 52 -0.421 -2.295 11.667 455 H ILE 53 HN ILE 53 -1.135 1.465 4.420 456 HA ILE 53 HA ILE 53 -1.389 3.787 6.160 457 HB ILE 53 HB ILE 53 -2.273 3.496 3.267 458 HG12 ILE 53 HG12 ILE 53 -0.256 5.323 4.596 459 HG13 ILE 53 HG11 ILE 53 0.107 3.972 3.533 460 HG21 ILE 53 HG21 ILE 53 -3.137 5.796 3.410 461 HG22 ILE 53 HG22 ILE 53 -2.760 5.859 5.121 462 HG23 ILE 53 HG23 ILE 53 -3.985 4.739 4.532 463 HD11 ILE 53 HD11 ILE 53 -1.015 5.162 1.696 464 HD12 ILE 53 HD12 ILE 53 0.359 6.051 2.356 465 HD13 ILE 53 HD13 ILE 53 -1.284 6.529 2.780 466 H LYS 54 HN LYS 54 -3.212 4.038 7.211 467 HA LYS 54 HA LYS 54 -5.155 1.897 6.859 468 HB2 LYS 54 HB2 LYS 54 -5.704 2.034 9.260 469 HB3 LYS 54 HB1 LYS 54 -4.023 1.618 9.018 470 HG2 LYS 54 HG2 LYS 54 -4.894 4.438 9.588 471 HG3 LYS 54 HG1 LYS 54 -4.607 3.275 10.875 472 HD2 LYS 54 HD2 LYS 54 -2.339 3.111 10.375 473 HD3 LYS 54 HD1 LYS 54 -2.471 3.855 8.801 474 HE2 LYS 54 HE2 LYS 54 -3.181 5.929 9.908 475 HE3 LYS 54 HE1 LYS 54 -2.877 5.170 11.473 476 HZ1 LYS 54 HZ1 LYS 54 -0.827 5.579 9.348 477 HZ2 LYS 54 HZ2 LYS 54 -0.538 4.957 10.884 478 HZ3 LYS 54 HZ3 LYS 54 -1.031 6.560 10.688 479 H LEU 55 HN LEU 55 -7.187 2.458 6.563 480 HA LEU 55 HA LEU 55 -7.743 5.298 6.359 481 HB2 LEU 55 HB2 LEU 55 -8.503 3.265 4.757 482 HB3 LEU 55 HB1 LEU 55 -9.842 3.226 5.884 483 HG LEU 55 HG LEU 55 -9.039 5.578 4.164 484 HD11 LEU 55 HD11 LEU 55 -9.998 3.807 2.874 485 HD12 LEU 55 HD12 LEU 55 -11.122 5.165 2.999 486 HD13 LEU 55 HD13 LEU 55 -11.374 3.718 3.975 487 HD21 LEU 55 HD21 LEU 55 -11.419 5.275 5.990 488 HD22 LEU 55 HD22 LEU 55 -11.105 6.628 4.898 489 HD23 LEU 55 HD23 LEU 55 -10.024 6.323 6.262 490 H ARG 56 HN ARG 56 -7.889 6.028 8.257 491 HA ARG 56 HA ARG 56 -8.289 4.892 10.664 492 HB2 ARG 56 HB2 ARG 56 -7.352 7.097 10.282 493 HB3 ARG 56 HB1 ARG 56 -8.924 7.721 9.849 494 HG2 ARG 56 HG2 ARG 56 -9.702 7.401 12.124 495 HG3 ARG 56 HG1 ARG 56 -8.149 6.692 12.571 496 HD2 ARG 56 HD2 ARG 56 -7.019 8.767 11.979 497 HD3 ARG 56 HD1 ARG 56 -8.555 9.479 11.509 498 HE ARG 56 HE ARG 56 -8.963 8.749 14.085 499 HH11 ARG 56 HH11 ARG 56 -6.406 10.672 12.521 500 HH12 ARG 56 HH12 ARG 56 -6.191 11.692 13.865 501 HH21 ARG 56 HH21 ARG 56 -8.642 10.155 15.878 502 HH22 ARG 56 HH22 ARG 56 -7.479 11.405 15.829 503 H SER 57 HN SER 57 -10.874 6.288 8.702 504 HA SER 57 HA SER 57 -12.818 5.764 10.755 505 HB2 SER 57 HB2 SER 57 -13.249 6.639 7.894 506 HB3 SER 57 HB1 SER 57 -14.424 6.735 9.210 507 HG SER 57 HG SER 57 -12.382 7.893 10.170 508 H SER 58 HN SER 58 -12.031 4.262 7.608 509 HA SER 58 HA SER 58 -14.309 2.554 7.672 510 HB2 SER 58 HB2 SER 58 -11.882 2.318 5.916 511 HB3 SER 58 HB1 SER 58 -13.530 1.773 5.585 512 HG SER 58 HG SER 58 -14.180 3.840 5.292 513 H GLY 59 HN GLY 59 -10.885 2.146 8.539 514 HA2 GLY 59 HA2 GLY 59 -10.093 0.445 9.976 515 HA3 GLY 59 HA1 GLY 59 -11.553 -0.483 9.649 516 H TYR 60 HN TYR 60 -10.139 0.861 6.948 517 HA TYR 60 HA TYR 60 -9.212 -1.749 5.996 518 HB2 TYR 60 HB2 TYR 60 -9.924 0.836 4.640 519 HB3 TYR 60 HB1 TYR 60 -8.954 -0.368 3.809 520 HD1 TYR 60 HD1 TYR 60 -12.182 -0.143 5.718 521 HD2 TYR 60 HD2 TYR 60 -10.038 -1.863 2.480 522 HE1 TYR 60 HE1 TYR 60 -14.226 -1.290 4.975 523 HE2 TYR 60 HE2 TYR 60 -12.064 -3.014 1.732 524 HH TYR 60 HH TYR 60 -15.148 -2.287 3.000 525 H ARG 61 HN ARG 61 -7.121 -1.861 4.887 526 HA ARG 61 HA ARG 61 -5.417 0.342 5.282 527 HB2 ARG 61 HB2 ARG 61 -3.529 -1.015 6.287 528 HB3 ARG 61 HB1 ARG 61 -4.840 -0.593 7.357 529 HG2 ARG 61 HG2 ARG 61 -4.543 -3.283 6.040 530 HG3 ARG 61 HG1 ARG 61 -3.893 -2.890 7.630 531 HD2 ARG 61 HD2 ARG 61 -6.788 -2.858 6.792 532 HD3 ARG 61 HD1 ARG 61 -6.000 -4.014 7.859 533 HE ARG 61 HE ARG 61 -6.187 -1.170 8.551 534 HH11 ARG 61 HH11 ARG 61 -6.755 -4.563 9.468 535 HH12 ARG 61 HH12 ARG 61 -7.399 -4.167 10.992 536 HH21 ARG 61 HH21 ARG 61 -7.146 -0.676 10.667 537 HH22 ARG 61 HH22 ARG 61 -7.621 -1.960 11.667 538 H LEU 62 HN LEU 62 -3.576 0.362 4.101 539 HA LEU 62 HA LEU 62 -3.583 -1.497 1.828 540 HB2 LEU 62 HB2 LEU 62 -4.461 0.794 1.352 541 HB3 LEU 62 HB1 LEU 62 -2.960 1.469 1.917 542 HG LEU 62 HG LEU 62 -3.057 -0.353 -0.495 543 HD11 LEU 62 HD11 LEU 62 -3.135 1.663 -1.854 544 HD12 LEU 62 HD12 LEU 62 -3.336 2.648 -0.399 545 HD13 LEU 62 HD13 LEU 62 -4.595 1.503 -0.876 546 HD21 LEU 62 HD21 LEU 62 -1.173 1.796 0.420 547 HD22 LEU 62 HD22 LEU 62 -1.032 0.894 -1.088 548 HD23 LEU 62 HD23 LEU 62 -0.852 0.061 0.461 549 H VAL 63 HN VAL 63 -1.677 -2.523 1.525 550 HA VAL 63 HA VAL 63 0.579 -1.652 3.178 551 HB VAL 63 HB VAL 63 -0.134 -4.443 2.219 552 HG11 VAL 63 HG11 VAL 63 2.179 -3.509 3.916 553 HG12 VAL 63 HG12 VAL 63 2.280 -4.179 2.286 554 HG13 VAL 63 HG13 VAL 63 1.749 -5.193 3.631 555 HG21 VAL 63 HG21 VAL 63 -0.149 -3.243 4.988 556 HG22 VAL 63 HG22 VAL 63 -0.461 -4.936 4.608 557 HG23 VAL 63 HG23 VAL 63 -1.567 -3.685 4.037 558 H TYR 64 HN TYR 64 2.288 -0.969 2.137 559 HA TYR 64 HA TYR 64 2.805 -1.985 -0.539 560 HB2 TYR 64 HB2 TYR 64 3.444 0.299 -1.319 561 HB3 TYR 64 HB1 TYR 64 1.748 0.139 -0.937 562 HD1 TYR 64 HD2 TYR 64 4.897 1.219 0.827 563 HD2 TYR 64 HD1 TYR 64 0.781 1.900 0.106 564 HE1 TYR 64 HE2 TYR 64 5.000 3.254 2.195 565 HE2 TYR 64 HE1 TYR 64 0.866 3.932 1.462 566 HH TYR 64 HH TYR 64 3.819 5.317 2.508 567 H GLN 65 HN GLN 65 5.012 -1.774 -1.200 568 HA GLN 65 HA GLN 65 6.830 -1.539 1.087 569 HB2 GLN 65 HB2 GLN 65 8.441 -2.900 -0.193 570 HB3 GLN 65 HB1 GLN 65 6.943 -3.775 0.040 571 HG2 GLN 65 HG2 GLN 65 6.288 -3.206 -2.268 572 HG3 GLN 65 HG1 GLN 65 7.812 -2.351 -2.469 573 HE21 GLN 65 HE21 GLN 65 9.718 -3.552 -2.596 574 HE22 GLN 65 HE22 GLN 65 9.720 -5.223 -3.017 575 H VAL 66 HN VAL 66 8.320 0.004 1.058 576 HA VAL 66 HA VAL 66 8.293 1.740 -1.305 577 HB VAL 66 HB VAL 66 9.401 2.307 1.475 578 HG11 VAL 66 HG11 VAL 66 9.193 4.132 -0.927 579 HG12 VAL 66 HG12 VAL 66 10.679 3.485 -0.236 580 HG13 VAL 66 HG13 VAL 66 9.700 4.617 0.693 581 HG21 VAL 66 HG21 VAL 66 6.968 3.399 0.069 582 HG22 VAL 66 HG22 VAL 66 7.564 3.917 1.647 583 HG23 VAL 66 HG23 VAL 66 6.972 2.270 1.424 584 H ILE 67 HN ILE 67 9.759 1.254 -2.721 585 HA ILE 67 HA ILE 67 12.251 0.058 -1.807 586 HB ILE 67 HB ILE 67 11.315 0.417 -4.668 587 HG12 ILE 67 HG12 ILE 67 10.984 -2.054 -2.945 588 HG13 ILE 67 HG11 ILE 67 9.676 -0.957 -3.365 589 HG21 ILE 67 HG21 ILE 67 12.945 -1.364 -5.115 590 HG22 ILE 67 HG22 ILE 67 13.320 -1.451 -3.396 591 HG23 ILE 67 HG23 ILE 67 13.716 0.004 -4.309 592 HD11 ILE 67 HD11 ILE 67 11.301 -2.595 -5.301 593 HD12 ILE 67 HD12 ILE 67 9.989 -1.498 -5.729 594 HD13 ILE 67 HD13 ILE 67 9.655 -2.938 -4.769 595 H ASP 68 HN ASP 68 13.387 1.824 -1.126 596 HA ASP 68 HA ASP 68 13.313 4.350 -2.450 597 HB2 ASP 68 HB2 ASP 68 13.973 4.119 -0.061 598 HB3 ASP 68 HB1 ASP 68 15.444 3.300 -0.571 599 H GLU 69 HN GLU 69 15.265 1.554 -2.671 600 HA GLU 69 HA GLU 69 17.426 2.439 -4.197 601 HB2 GLU 69 HB2 GLU 69 16.050 -0.235 -4.406 602 HB3 GLU 69 HB1 GLU 69 17.710 0.132 -4.845 603 HG2 GLU 69 HG2 GLU 69 16.553 0.205 -2.065 604 HG3 GLU 69 HG1 GLU 69 17.579 -1.060 -2.727 605 H LYS 70 HN LYS 70 14.160 1.537 -5.168 606 HA LYS 70 HA LYS 70 14.839 2.042 -7.981 607 HB2 LYS 70 HB2 LYS 70 12.512 0.570 -6.748 608 HB3 LYS 70 HB1 LYS 70 12.604 0.958 -8.463 609 HG2 LYS 70 HG2 LYS 70 14.612 -0.409 -8.647 610 HG3 LYS 70 HG1 LYS 70 14.530 -0.787 -6.925 611 HD2 LYS 70 HD2 LYS 70 12.365 -1.886 -7.262 612 HD3 LYS 70 HD1 LYS 70 12.409 -1.459 -8.975 613 HE2 LYS 70 HE2 LYS 70 14.381 -2.851 -9.292 614 HE3 LYS 70 HE1 LYS 70 14.421 -3.225 -7.573 615 HZ1 LYS 70 HZ1 LYS 70 12.200 -3.968 -9.415 616 HZ2 LYS 70 HZ2 LYS 70 12.328 -4.391 -7.790 617 HZ3 LYS 70 HZ3 LYS 70 13.416 -4.999 -8.899 618 H VAL 71 HN VAL 71 13.687 3.595 -5.383 619 HA VAL 71 HA VAL 71 12.537 5.467 -4.935 620 HB VAL 71 HB VAL 71 12.789 6.106 -7.916 621 HG11 VAL 71 HG11 VAL 71 11.363 7.675 -6.731 622 HG12 VAL 71 HG12 VAL 71 12.876 8.458 -7.196 623 HG13 VAL 71 HG13 VAL 71 12.622 7.945 -5.527 624 HG21 VAL 71 HG21 VAL 71 14.978 5.461 -7.065 625 HG22 VAL 71 HG22 VAL 71 14.810 6.600 -5.729 626 HG23 VAL 71 HG23 VAL 71 14.931 7.196 -7.384 627 H VAL 72 HN VAL 72 11.019 3.128 -5.452 628 HA VAL 72 HA VAL 72 8.551 4.365 -6.380 629 HB VAL 72 HB VAL 72 9.396 3.021 -8.271 630 HG11 VAL 72 HG11 VAL 72 9.197 0.670 -6.416 631 HG12 VAL 72 HG12 VAL 72 10.668 1.361 -7.104 632 HG13 VAL 72 HG13 VAL 72 9.478 0.587 -8.157 633 HG21 VAL 72 HG21 VAL 72 6.979 3.248 -8.036 634 HG22 VAL 72 HG22 VAL 72 6.933 1.828 -6.994 635 HG23 VAL 72 HG23 VAL 72 7.388 1.661 -8.691 636 H VAL 73 HN VAL 73 6.810 3.901 -5.310 637 HA VAL 73 HA VAL 73 6.960 2.184 -2.972 638 HB VAL 73 HB VAL 73 4.900 4.234 -3.863 639 HG11 VAL 73 HG11 VAL 73 3.931 2.549 -2.436 640 HG12 VAL 73 HG12 VAL 73 4.047 4.084 -1.578 641 HG13 VAL 73 HG13 VAL 73 5.203 2.795 -1.244 642 HG21 VAL 73 HG21 VAL 73 7.076 4.484 -1.790 643 HG22 VAL 73 HG22 VAL 73 5.810 5.671 -2.091 644 HG23 VAL 73 HG23 VAL 73 7.003 5.319 -3.341 645 H PHE 74 HN PHE 74 6.185 0.212 -3.310 646 HA PHE 74 HA PHE 74 4.423 -0.251 -5.611 647 HB2 PHE 74 HB2 PHE 74 6.602 -1.297 -5.797 648 HB3 PHE 74 HB1 PHE 74 6.426 -2.025 -4.215 649 HD1 PHE 74 HD1 PHE 74 4.806 -1.978 -7.566 650 HD2 PHE 74 HD2 PHE 74 5.733 -4.214 -4.073 651 HE1 PHE 74 HE1 PHE 74 3.935 -4.013 -8.635 652 HE2 PHE 74 HE2 PHE 74 4.863 -6.247 -5.133 653 HZ PHE 74 HZ PHE 74 3.966 -6.147 -7.417 654 H VAL 75 HN VAL 75 2.382 -0.439 -4.992 655 HA VAL 75 HA VAL 75 1.605 -1.286 -2.365 656 HB VAL 75 HB VAL 75 -0.101 -0.954 -4.861 657 HG11 VAL 75 HG11 VAL 75 -1.223 -2.351 -3.243 658 HG12 VAL 75 HG12 VAL 75 -2.010 -0.774 -3.295 659 HG13 VAL 75 HG13 VAL 75 -0.929 -1.179 -1.965 660 HG21 VAL 75 HG21 VAL 75 0.460 0.983 -2.611 661 HG22 VAL 75 HG22 VAL 75 -0.747 1.225 -3.872 662 HG23 VAL 75 HG23 VAL 75 0.964 1.142 -4.294 663 H ILE 76 HN ILE 76 1.390 -3.276 -1.683 664 HA ILE 76 HA ILE 76 1.742 -5.421 -3.644 665 HB ILE 76 HB ILE 76 1.889 -5.649 -0.632 666 HG12 ILE 76 HG12 ILE 76 4.188 -5.220 -2.554 667 HG13 ILE 76 HG11 ILE 76 3.542 -3.978 -1.489 668 HG21 ILE 76 HG21 ILE 76 1.607 -7.745 -1.807 669 HG22 ILE 76 HG22 ILE 76 3.284 -7.626 -1.228 670 HG23 ILE 76 HG23 ILE 76 2.904 -7.318 -2.916 671 HD11 ILE 76 HD11 ILE 76 4.752 -6.580 -0.587 672 HD12 ILE 76 HD12 ILE 76 4.206 -5.260 0.458 673 HD13 ILE 76 HD13 ILE 76 5.578 -5.029 -0.628 674 H SER 77 HN SER 77 -0.342 -4.410 -0.946 675 HA SER 77 HA SER 77 -2.488 -5.979 -2.021 676 HB2 SER 77 HB2 SER 77 -1.152 -7.549 -0.546 677 HB3 SER 77 HB1 SER 77 -1.511 -6.483 0.808 678 HG SER 77 HG SER 77 -3.057 -8.330 -0.456 679 H VAL 78 HN VAL 78 -4.513 -5.310 -1.067 680 HA VAL 78 HA VAL 78 -4.454 -3.100 0.762 681 HB VAL 78 HB VAL 78 -4.099 -1.968 -1.386 682 HG11 VAL 78 HG11 VAL 78 -5.763 -2.013 -3.175 683 HG12 VAL 78 HG12 VAL 78 -6.646 -3.265 -2.307 684 HG13 VAL 78 HG13 VAL 78 -5.022 -3.592 -2.910 685 HG21 VAL 78 HG21 VAL 78 -5.445 -0.814 0.263 686 HG22 VAL 78 HG22 VAL 78 -6.910 -1.559 -0.380 687 HG23 VAL 78 HG23 VAL 78 -5.983 -0.422 -1.368 688 H GLY 79 HN GLY 79 -6.309 -3.018 1.992 689 HA2 GLY 79 HA2 GLY 79 -8.840 -3.335 1.480 690 HA3 GLY 79 HA1 GLY 79 -8.336 -5.019 1.382 691 H LYS 80 HN LYS 80 -9.285 -5.821 3.124 692 HA LYS 80 HA LYS 80 -8.825 -4.507 5.686 693 HB2 LYS 80 HB2 LYS 80 -10.800 -6.635 4.861 694 HB3 LYS 80 HB1 LYS 80 -10.584 -6.115 6.524 695 HG2 LYS 80 HG2 LYS 80 -11.242 -3.845 5.884 696 HG3 LYS 80 HG1 LYS 80 -11.475 -4.387 4.225 697 HD2 LYS 80 HD2 LYS 80 -12.957 -5.503 6.608 698 HD3 LYS 80 HD1 LYS 80 -13.577 -4.222 5.573 699 HE2 LYS 80 HE2 LYS 80 -12.835 -6.993 4.649 700 HE3 LYS 80 HE1 LYS 80 -14.474 -6.460 5.026 701 HZ1 LYS 80 HZ1 LYS 80 -14.232 -4.785 3.212 702 HZ2 LYS 80 HZ2 LYS 80 -14.148 -6.357 2.686 703 HZ3 LYS 80 HZ3 LYS 80 -12.738 -5.467 2.811 704 H ALA 81 HN ALA 81 -8.283 -5.868 7.480 705 HA ALA 81 HA ALA 81 -6.746 -8.242 6.719 706 HB1 ALA 81 HB1 ALA 81 -5.040 -7.624 8.371 707 HB2 ALA 81 HB2 ALA 81 -5.940 -6.163 8.764 708 HB3 ALA 81 HB3 ALA 81 -5.212 -6.341 7.171 709 H GLU 82 HN GLU 82 -8.245 -9.667 7.393 710 HA GLU 82 HA GLU 82 -9.024 -9.459 10.218 711 HB2 GLU 82 HB2 GLU 82 -10.702 -10.528 7.944 712 HB3 GLU 82 HB1 GLU 82 -11.188 -10.439 9.633 713 HG2 GLU 82 HG2 GLU 82 -11.060 -8.015 9.572 714 HG3 GLU 82 HG1 GLU 82 -10.499 -8.071 7.906 715 H ALA 83 HN ALA 83 -8.398 -11.607 7.500 716 HA ALA 83 HA ALA 83 -7.548 -13.628 9.454 717 HB1 ALA 83 HB1 ALA 83 -8.830 -14.113 6.754 718 HB2 ALA 83 HB2 ALA 83 -9.611 -14.349 8.316 719 HB3 ALA 83 HB3 ALA 83 -8.246 -15.365 7.850 720 H SER 84 HN SER 84 -6.160 -11.461 8.246 721 HA SER 84 HA SER 84 -4.094 -10.968 7.561 722 HB2 SER 84 HB2 SER 84 -3.690 -13.962 7.418 723 HB3 SER 84 HB1 SER 84 -2.397 -12.776 7.247 724 HG SER 84 HG SER 84 -2.531 -13.505 9.382 725 H GLU 85 HN GLU 85 -6.234 -10.966 5.670 726 HA GLU 85 HA GLU 85 -5.670 -12.113 3.216 727 HB2 GLU 85 HB2 GLU 85 -6.948 -9.465 3.894 728 HB3 GLU 85 HB1 GLU 85 -6.886 -10.122 2.279 729 HG2 GLU 85 HG2 GLU 85 -9.061 -10.492 3.254 730 HG3 GLU 85 HG1 GLU 85 -8.238 -12.021 3.009 731 H VAL 86 HN VAL 86 -4.787 -8.899 4.425 732 HA VAL 86 HA VAL 86 -3.253 -8.291 2.124 733 HB VAL 86 HB VAL 86 -2.494 -6.267 3.311 734 HG11 VAL 86 HG11 VAL 86 -5.450 -6.801 3.546 735 HG12 VAL 86 HG12 VAL 86 -4.597 -6.209 2.119 736 HG13 VAL 86 HG13 VAL 86 -4.691 -5.208 3.565 737 HG21 VAL 86 HG21 VAL 86 -2.308 -7.152 5.578 738 HG22 VAL 86 HG22 VAL 86 -4.053 -7.379 5.646 739 HG23 VAL 86 HG23 VAL 86 -3.379 -5.748 5.556 740 H TYR 87 HN TYR 87 -2.464 -9.883 5.074 741 HA TYR 87 HA TYR 87 0.352 -9.315 4.872 742 HB2 TYR 87 HB2 TYR 87 -1.135 -11.228 6.659 743 HB3 TYR 87 HB1 TYR 87 0.606 -11.034 6.685 744 HD1 TYR 87 HD1 TYR 87 1.577 -8.816 7.342 745 HD2 TYR 87 HD2 TYR 87 -2.552 -9.717 7.828 746 HE1 TYR 87 HE1 TYR 87 1.381 -6.996 8.975 747 HE2 TYR 87 HE2 TYR 87 -2.763 -7.892 9.463 748 HH TYR 87 HH TYR 87 -1.377 -6.659 10.962 749 H SER 88 HN SER 88 -1.693 -12.192 4.361 750 HA SER 88 HA SER 88 0.360 -13.896 3.607 751 HB2 SER 88 HB2 SER 88 -2.535 -13.906 2.756 752 HB3 SER 88 HB1 SER 88 -1.426 -15.273 2.655 753 HG SER 88 HG SER 88 -2.904 -15.056 4.527 754 H GLU 89 HN GLU 89 -1.685 -11.721 1.655 755 HA GLU 89 HA GLU 89 -0.512 -12.529 -0.780 756 HB2 GLU 89 HB2 GLU 89 -2.042 -10.030 -0.073 757 HB3 GLU 89 HB1 GLU 89 -1.471 -10.382 -1.694 758 HG2 GLU 89 HG2 GLU 89 -3.438 -11.997 -0.089 759 HG3 GLU 89 HG1 GLU 89 -3.790 -10.986 -1.493 760 H ALA 90 HN ALA 90 0.299 -10.072 1.585 761 HA ALA 90 HA ALA 90 2.150 -8.728 -0.035 762 HB1 ALA 90 HB1 ALA 90 1.216 -7.723 2.001 763 HB2 ALA 90 HB2 ALA 90 2.979 -7.686 1.994 764 HB3 ALA 90 HB3 ALA 90 2.125 -8.878 2.974 765 H VAL 91 HN VAL 91 2.667 -11.173 2.496 766 HA VAL 91 HA VAL 91 5.452 -11.250 2.078 767 HB VAL 91 HB VAL 91 4.478 -11.988 4.206 768 HG11 VAL 91 HG11 VAL 91 3.411 -14.365 2.716 769 HG12 VAL 91 HG12 VAL 91 2.477 -13.079 3.481 770 HG13 VAL 91 HG13 VAL 91 3.433 -14.181 4.470 771 HG21 VAL 91 HG21 VAL 91 5.830 -14.008 4.589 772 HG22 VAL 91 HG22 VAL 91 6.708 -12.776 3.680 773 HG23 VAL 91 HG23 VAL 91 6.036 -14.175 2.846 774 H LYS 92 HN LYS 92 2.856 -13.102 0.606 775 HA LYS 92 HA LYS 92 4.678 -14.829 -0.768 776 HB2 LYS 92 HB2 LYS 92 1.726 -14.496 -0.764 777 HB3 LYS 92 HB1 LYS 92 2.444 -15.197 -2.201 778 HG2 LYS 92 HG2 LYS 92 1.670 -16.931 -0.681 779 HG3 LYS 92 HG1 LYS 92 3.417 -16.993 -0.849 780 HD2 LYS 92 HD2 LYS 92 3.663 -15.863 1.298 781 HD3 LYS 92 HD1 LYS 92 1.904 -15.764 1.460 782 HE2 LYS 92 HE2 LYS 92 3.530 -18.312 1.289 783 HE3 LYS 92 HE1 LYS 92 2.864 -17.627 2.766 784 HZ1 LYS 92 HZ1 LYS 92 1.289 -18.638 0.448 785 HZ2 LYS 92 HZ2 LYS 92 0.627 -17.935 1.823 786 HZ3 LYS 92 HZ3 LYS 92 1.461 -19.386 1.948 787 H ARG 93 HN ARG 93 3.548 -11.643 -1.364 788 HA ARG 93 HA ARG 93 4.122 -11.976 -4.187 789 HB2 ARG 93 HB2 ARG 93 2.106 -10.670 -3.292 790 HB3 ARG 93 HB1 ARG 93 3.259 -9.415 -2.878 791 HG2 ARG 93 HG2 ARG 93 2.138 -8.964 -5.001 792 HG3 ARG 93 HG1 ARG 93 3.877 -9.184 -5.219 793 HD2 ARG 93 HD2 ARG 93 3.558 -11.421 -6.023 794 HD3 ARG 93 HD1 ARG 93 1.837 -11.371 -5.633 795 HE ARG 93 HE ARG 93 2.165 -9.311 -7.326 796 HH11 ARG 93 HH11 ARG 93 3.025 -12.745 -7.605 797 HH12 ARG 93 HH12 ARG 93 2.819 -12.766 -9.297 798 HH21 ARG 93 HH21 ARG 93 1.940 -9.354 -9.513 799 HH22 ARG 93 HH22 ARG 93 2.160 -10.787 -10.439 800 H ILE 94 HN ILE 94 5.754 -11.222 -1.413 801 HA ILE 94 HA ILE 94 7.777 -9.536 -2.559 802 HB ILE 94 HB ILE 94 7.941 -11.425 -0.171 803 HG12 ILE 94 HG12 ILE 94 6.276 -9.653 0.212 804 HG13 ILE 94 HG11 ILE 94 7.669 -9.451 1.266 805 HG21 ILE 94 HG21 ILE 94 9.827 -9.212 -0.973 806 HG22 ILE 94 HG22 ILE 94 10.154 -10.943 -1.032 807 HG23 ILE 94 HG23 ILE 94 9.926 -10.141 0.523 808 HD11 ILE 94 HD11 ILE 94 6.891 -7.322 0.405 809 HD12 ILE 94 HD12 ILE 94 7.096 -7.892 -1.249 810 HD13 ILE 94 HD13 ILE 94 8.504 -7.680 -0.208 811 H LEU 95 HN LEU 95 8.697 -10.337 -4.333 812 HA LEU 95 HA LEU 95 9.617 -13.105 -4.286 813 HB2 LEU 95 HB2 LEU 95 7.441 -12.808 -5.512 814 HB3 LEU 95 HB1 LEU 95 8.258 -11.721 -6.605 815 HG LEU 95 HG LEU 95 9.693 -13.585 -7.354 816 HD11 LEU 95 HD11 LEU 95 9.636 -14.969 -5.346 817 HD12 LEU 95 HD12 LEU 95 9.065 -15.880 -6.743 818 HD13 LEU 95 HD13 LEU 95 7.910 -15.244 -5.577 819 HD21 LEU 95 HD21 LEU 95 7.950 -14.767 -8.607 820 HD22 LEU 95 HD22 LEU 95 7.666 -13.028 -8.582 821 HD23 LEU 95 HD23 LEU 95 6.723 -14.091 -7.536 Start of MODEL 8 1 H MET 1 H MET 1 10.601 13.194 0.081 2 HA MET 1 HA MET 1 11.427 13.986 -2.620 3 HB2 MET 1 HB2 MET 1 13.191 12.897 -1.317 4 HB3 MET 1 HB1 MET 1 12.072 11.570 -0.955 5 HG2 MET 1 HG2 MET 1 12.028 11.010 -3.342 6 HG3 MET 1 HG1 MET 1 13.175 12.315 -3.654 7 HE1 MET 1 HE1 MET 1 15.386 9.104 -4.151 8 HE2 MET 1 HE2 MET 1 14.869 10.629 -4.868 9 HE3 MET 1 HE3 MET 1 13.698 9.333 -4.610 10 H ALA 2 HN ALA 2 10.145 13.282 -4.079 11 HA ALA 2 HA ALA 2 7.772 11.783 -3.277 12 HB1 ALA 2 HB1 ALA 2 8.287 13.249 -5.863 13 HB2 ALA 2 HB2 ALA 2 7.371 13.865 -4.481 14 HB3 ALA 2 HB3 ALA 2 6.776 12.474 -5.385 15 H TYR 3 HN TYR 3 7.426 9.824 -3.805 16 HA TYR 3 HA TYR 3 9.315 8.458 -5.587 17 HB2 TYR 3 HB2 TYR 3 7.500 7.385 -3.404 18 HB3 TYR 3 HB1 TYR 3 8.445 6.372 -4.475 19 HD1 TYR 3 HD1 TYR 3 9.397 9.478 -2.604 20 HD2 TYR 3 HD2 TYR 3 10.018 5.312 -3.127 21 HE1 TYR 3 HE1 TYR 3 11.189 9.557 -0.957 22 HE2 TYR 3 HE2 TYR 3 11.832 5.384 -1.462 23 HH TYR 3 HH TYR 3 13.416 6.997 -0.454 24 H PHE 4 HN PHE 4 8.300 6.653 -6.833 25 HA PHE 4 HA PHE 4 5.860 7.539 -8.111 26 HB2 PHE 4 HB2 PHE 4 7.681 5.173 -8.581 27 HB3 PHE 4 HB1 PHE 4 6.267 5.482 -9.565 28 HD1 PHE 4 HD1 PHE 4 6.213 7.804 -10.751 29 HD2 PHE 4 HD2 PHE 4 9.732 6.023 -9.153 30 HE1 PHE 4 HE1 PHE 4 7.594 9.214 -12.222 31 HE2 PHE 4 HE2 PHE 4 11.116 7.429 -10.615 32 HZ PHE 4 HZ PHE 4 10.046 9.030 -12.151 33 H LEU 5 HN LEU 5 3.978 6.163 -8.240 34 HA LEU 5 HA LEU 5 3.796 4.252 -6.018 35 HB2 LEU 5 HB2 LEU 5 2.684 6.534 -5.655 36 HB3 LEU 5 HB1 LEU 5 1.583 6.106 -6.932 37 HG LEU 5 HG LEU 5 0.557 5.852 -4.727 38 HD11 LEU 5 HD11 LEU 5 -0.357 4.401 -6.370 39 HD12 LEU 5 HD12 LEU 5 -0.228 3.513 -4.838 40 HD13 LEU 5 HD13 LEU 5 0.939 3.232 -6.119 41 HD21 LEU 5 HD21 LEU 5 1.275 4.138 -3.159 42 HD22 LEU 5 HD22 LEU 5 2.525 5.357 -3.409 43 HD23 LEU 5 HD23 LEU 5 2.657 3.775 -4.187 44 H ASP 6 HN ASP 6 3.282 2.306 -6.727 45 HA ASP 6 HA ASP 6 1.429 2.057 -8.941 46 HB2 ASP 6 HB2 ASP 6 4.109 0.731 -8.750 47 HB3 ASP 6 HB1 ASP 6 2.773 -0.123 -9.503 48 H PHE 7 HN PHE 7 0.320 0.113 -8.967 49 HA PHE 7 HA PHE 7 0.043 -1.071 -6.306 50 HB2 PHE 7 HB2 PHE 7 -1.845 -1.163 -8.676 51 HB3 PHE 7 HB1 PHE 7 -2.165 -1.811 -7.075 52 HD1 PHE 7 HD1 PHE 7 -2.599 -0.286 -5.199 53 HD2 PHE 7 HD2 PHE 7 -2.085 1.157 -9.165 54 HE1 PHE 7 HE1 PHE 7 -3.602 1.861 -4.546 55 HE2 PHE 7 HE2 PHE 7 -3.083 3.307 -8.520 56 HZ PHE 7 HZ PHE 7 -3.843 3.661 -6.207 57 H ASP 8 HN ASP 8 0.578 -3.214 -6.070 58 HA ASP 8 HA ASP 8 1.808 -4.735 -8.107 59 HB2 ASP 8 HB2 ASP 8 2.016 -5.199 -5.652 60 HB3 ASP 8 HB1 ASP 8 0.323 -5.651 -5.615 61 H GLU 9 HN GLU 9 0.816 -6.272 -9.497 62 HA GLU 9 HA GLU 9 -1.725 -5.559 -10.328 63 HB2 GLU 9 HB2 GLU 9 -1.733 -7.562 -11.768 64 HB3 GLU 9 HB1 GLU 9 -0.299 -6.566 -11.916 65 HG2 GLU 9 HG2 GLU 9 0.980 -8.132 -10.638 66 HG3 GLU 9 HG1 GLU 9 -0.468 -9.090 -10.302 67 H ARG 10 HN ARG 10 -0.889 -7.976 -7.936 68 HA ARG 10 HA ARG 10 -3.518 -9.092 -7.967 69 HB2 ARG 10 HB2 ARG 10 -1.283 -9.291 -5.966 70 HB3 ARG 10 HB1 ARG 10 -2.859 -10.009 -5.668 71 HG2 ARG 10 HG2 ARG 10 -2.587 -11.391 -7.686 72 HG3 ARG 10 HG1 ARG 10 -0.994 -10.682 -7.937 73 HD2 ARG 10 HD2 ARG 10 -0.214 -11.581 -5.835 74 HD3 ARG 10 HD1 ARG 10 -1.828 -12.150 -5.446 75 HE ARG 10 HE ARG 10 -1.624 -13.697 -7.311 76 HH11 ARG 10 HH11 ARG 10 1.397 -12.251 -6.264 77 HH12 ARG 10 HH12 ARG 10 2.335 -13.664 -6.453 78 HH21 ARG 10 HH21 ARG 10 -0.352 -15.644 -7.643 79 HH22 ARG 10 HH22 ARG 10 1.317 -15.642 -7.297 80 H ALA 11 HN ALA 11 -1.878 -6.620 -6.159 81 HA ALA 11 HA ALA 11 -3.991 -6.038 -4.369 82 HB1 ALA 11 HB1 ALA 11 -1.733 -4.270 -5.287 83 HB2 ALA 11 HB2 ALA 11 -1.684 -5.380 -3.916 84 HB3 ALA 11 HB3 ALA 11 -2.771 -3.990 -3.890 85 H LEU 12 HN LEU 12 -3.196 -5.041 -7.597 86 HA LEU 12 HA LEU 12 -4.906 -2.783 -7.735 87 HB2 LEU 12 HB2 LEU 12 -3.047 -3.250 -9.342 88 HB3 LEU 12 HB1 LEU 12 -3.993 -4.586 -9.951 89 HG LEU 12 HG LEU 12 -5.717 -3.063 -10.764 90 HD11 LEU 12 HD11 LEU 12 -5.317 -0.659 -10.821 91 HD12 LEU 12 HD12 LEU 12 -3.877 -0.870 -9.822 92 HD13 LEU 12 HD13 LEU 12 -5.471 -1.253 -9.169 93 HD21 LEU 12 HD21 LEU 12 -2.940 -2.355 -11.697 94 HD22 LEU 12 HD22 LEU 12 -4.436 -2.100 -12.598 95 HD23 LEU 12 HD23 LEU 12 -3.893 -3.737 -12.236 96 H LYS 13 HN LYS 13 -5.297 -6.179 -8.330 97 HA LYS 13 HA LYS 13 -7.886 -6.140 -9.425 98 HB2 LYS 13 HB2 LYS 13 -6.536 -8.248 -7.733 99 HB3 LYS 13 HB1 LYS 13 -7.998 -8.496 -8.679 100 HG2 LYS 13 HG2 LYS 13 -6.835 -8.253 -10.717 101 HG3 LYS 13 HG1 LYS 13 -5.403 -7.614 -9.904 102 HD2 LYS 13 HD2 LYS 13 -5.145 -9.765 -8.767 103 HD3 LYS 13 HD1 LYS 13 -6.485 -10.422 -9.702 104 HE2 LYS 13 HE2 LYS 13 -3.908 -9.310 -10.832 105 HE3 LYS 13 HE1 LYS 13 -4.289 -11.019 -10.664 106 HZ1 LYS 13 HZ1 LYS 13 -6.150 -10.670 -12.225 107 HZ2 LYS 13 HZ2 LYS 13 -4.671 -10.327 -12.901 108 HZ3 LYS 13 HZ3 LYS 13 -5.678 -9.067 -12.454 109 H GLU 14 HN GLU 14 -6.664 -6.370 -6.110 110 HA GLU 14 HA GLU 14 -9.170 -6.483 -4.852 111 HB2 GLU 14 HB2 GLU 14 -6.525 -5.507 -3.796 112 HB3 GLU 14 HB1 GLU 14 -7.923 -5.932 -2.818 113 HG2 GLU 14 HG2 GLU 14 -6.390 -7.786 -4.606 114 HG3 GLU 14 HG1 GLU 14 -6.267 -7.716 -2.851 115 H TRP 15 HN TRP 15 -7.056 -3.841 -5.728 116 HA TRP 15 HA TRP 15 -8.339 -1.685 -4.492 117 HB2 TRP 15 HB2 TRP 15 -6.105 -1.542 -5.466 118 HB3 TRP 15 HB1 TRP 15 -6.754 -1.879 -7.059 119 HD1 TRP 15 HD1 TRP 15 -7.517 0.118 -8.477 120 HE1 TRP 15 HE1 TRP 15 -7.539 2.687 -8.127 121 HE3 TRP 15 HE3 TRP 15 -6.445 0.241 -3.500 122 HZ2 TRP 15 HZ2 TRP 15 -7.137 4.500 -6.000 123 HZ3 TRP 15 HZ3 TRP 15 -6.267 2.415 -2.378 124 HH2 TRP 15 HH2 TRP 15 -6.605 4.497 -3.595 125 H ARG 16 HN ARG 16 -8.820 -3.085 -7.700 126 HA ARG 16 HA ARG 16 -10.965 -1.308 -8.398 127 HB2 ARG 16 HB2 ARG 16 -10.146 -3.944 -9.639 128 HB3 ARG 16 HB1 ARG 16 -11.263 -2.790 -10.356 129 HG2 ARG 16 HG2 ARG 16 -9.493 -1.148 -10.559 130 HG3 ARG 16 HG1 ARG 16 -8.369 -2.227 -9.734 131 HD2 ARG 16 HD2 ARG 16 -7.956 -2.360 -12.101 132 HD3 ARG 16 HD1 ARG 16 -8.692 -3.866 -11.552 133 HE ARG 16 HE ARG 16 -10.578 -1.958 -12.521 134 HH11 ARG 16 HH11 ARG 16 -8.458 -4.614 -13.504 135 HH12 ARG 16 HH12 ARG 16 -9.273 -4.940 -14.951 136 HH21 ARG 16 HH21 ARG 16 -11.679 -2.342 -14.534 137 HH22 ARG 16 HH22 ARG 16 -11.164 -3.583 -15.570 138 H LYS 17 HN LYS 17 -10.677 -4.200 -6.688 139 HA LYS 17 HA LYS 17 -13.367 -5.160 -6.768 140 HB2 LYS 17 HB2 LYS 17 -11.571 -6.656 -6.312 141 HB3 LYS 17 HB1 LYS 17 -10.965 -5.615 -5.046 142 HG2 LYS 17 HG2 LYS 17 -12.913 -6.222 -3.668 143 HG3 LYS 17 HG1 LYS 17 -13.423 -7.338 -4.946 144 HD2 LYS 17 HD2 LYS 17 -11.381 -8.565 -4.782 145 HD3 LYS 17 HD1 LYS 17 -10.711 -7.396 -3.656 146 HE2 LYS 17 HE2 LYS 17 -12.396 -8.034 -2.010 147 HE3 LYS 17 HE1 LYS 17 -13.047 -9.219 -3.147 148 HZ1 LYS 17 HZ1 LYS 17 -11.459 -10.154 -1.493 149 HZ2 LYS 17 HZ2 LYS 17 -10.228 -9.233 -2.246 150 HZ3 LYS 17 HZ3 LYS 17 -11.016 -10.417 -3.104 151 H LEU 18 HN LEU 18 -11.602 -2.809 -4.895 152 HA LEU 18 HA LEU 18 -13.406 -2.556 -2.743 153 HB2 LEU 18 HB2 LEU 18 -11.121 -1.043 -3.829 154 HB3 LEU 18 HB1 LEU 18 -12.296 -0.088 -2.965 155 HG LEU 18 HG LEU 18 -11.885 -1.289 -0.918 156 HD11 LEU 18 HD11 LEU 18 -10.063 -3.086 -2.488 157 HD12 LEU 18 HD12 LEU 18 -11.634 -3.523 -1.816 158 HD13 LEU 18 HD13 LEU 18 -10.301 -3.104 -0.738 159 HD21 LEU 18 HD21 LEU 18 -9.317 -0.665 -2.322 160 HD22 LEU 18 HD22 LEU 18 -9.549 -0.791 -0.575 161 HD23 LEU 18 HD23 LEU 18 -10.370 0.479 -1.489 162 H GLY 19 HN GLY 19 -14.582 -0.484 -2.385 163 HA2 GLY 19 HA2 GLY 19 -16.455 -0.137 -4.567 164 HA3 GLY 19 HA1 GLY 19 -16.559 0.639 -2.991 165 H SER 20 HN SER 20 -16.837 2.727 -3.619 166 HA SER 20 HA SER 20 -14.718 3.802 -5.325 167 HB2 SER 20 HB2 SER 20 -17.081 4.226 -6.068 168 HB3 SER 20 HB1 SER 20 -17.354 5.114 -4.573 169 HG SER 20 HG SER 20 -15.880 6.654 -5.210 170 H THR 21 HN THR 21 -16.642 4.686 -2.534 171 HA THR 21 HA THR 21 -15.323 6.911 -1.669 172 HB THR 21 HB THR 21 -16.688 4.887 0.102 173 HG1 THR 21 HG1 THR 21 -17.732 7.023 -1.446 174 HG21 THR 21 HG21 THR 21 -17.323 6.858 1.408 175 HG22 THR 21 HG22 THR 21 -16.479 7.901 0.267 176 HG23 THR 21 HG23 THR 21 -15.566 6.769 1.267 177 H VAL 22 HN VAL 22 -14.658 3.539 -0.725 178 HA VAL 22 HA VAL 22 -12.769 4.193 1.274 179 HB VAL 22 HB VAL 22 -13.012 1.642 -0.328 180 HG11 VAL 22 HG11 VAL 22 -11.825 0.605 1.547 181 HG12 VAL 22 HG12 VAL 22 -11.630 2.193 2.290 182 HG13 VAL 22 HG13 VAL 22 -10.850 1.837 0.748 183 HG21 VAL 22 HG21 VAL 22 -15.068 2.193 0.855 184 HG22 VAL 22 HG22 VAL 22 -14.162 2.378 2.361 185 HG23 VAL 22 HG23 VAL 22 -14.275 0.799 1.585 186 H ARG 23 HN ARG 23 -12.384 3.200 -2.107 187 HA ARG 23 HA ARG 23 -9.594 3.404 -1.916 188 HB2 ARG 23 HB2 ARG 23 -9.545 3.152 -4.410 189 HB3 ARG 23 HB1 ARG 23 -10.265 1.840 -3.500 190 HG2 ARG 23 HG2 ARG 23 -12.326 2.252 -4.226 191 HG3 ARG 23 HG1 ARG 23 -12.045 3.931 -4.662 192 HD2 ARG 23 HD2 ARG 23 -10.622 3.225 -6.489 193 HD3 ARG 23 HD1 ARG 23 -10.661 1.555 -5.943 194 HE ARG 23 HE ARG 23 -13.220 1.989 -6.390 195 HH11 ARG 23 HH11 ARG 23 -10.426 2.826 -8.416 196 HH12 ARG 23 HH12 ARG 23 -11.197 2.447 -9.880 197 HH21 ARG 23 HH21 ARG 23 -14.253 1.437 -8.461 198 HH22 ARG 23 HH22 ARG 23 -13.385 1.644 -9.911 199 H GLU 24 HN GLU 24 -12.035 5.653 -2.928 200 HA GLU 24 HA GLU 24 -10.463 7.634 -4.071 201 HB2 GLU 24 HB2 GLU 24 -12.877 7.703 -2.307 202 HB3 GLU 24 HB1 GLU 24 -12.199 9.196 -2.900 203 HG2 GLU 24 HG2 GLU 24 -12.584 8.416 -5.203 204 HG3 GLU 24 HG1 GLU 24 -13.234 6.904 -4.571 205 H GLN 25 HN GLN 25 -11.179 6.980 -0.716 206 HA GLN 25 HA GLN 25 -9.595 9.125 0.302 207 HB2 GLN 25 HB2 GLN 25 -10.751 6.697 1.690 208 HB3 GLN 25 HB1 GLN 25 -9.913 8.012 2.512 209 HG2 GLN 25 HG2 GLN 25 -11.564 9.573 1.944 210 HG3 GLN 25 HG1 GLN 25 -12.336 8.467 0.807 211 HE21 GLN 25 HE21 GLN 25 -13.560 6.882 1.579 212 HE22 GLN 25 HE22 GLN 25 -14.228 6.828 3.187 213 H LEU 26 HN LEU 26 -9.011 5.691 -0.207 214 HA LEU 26 HA LEU 26 -6.469 5.573 1.006 215 HB2 LEU 26 HB2 LEU 26 -7.634 3.945 -1.227 216 HB3 LEU 26 HB1 LEU 26 -6.092 3.592 -0.483 217 HG LEU 26 HG LEU 26 -8.757 3.512 0.972 218 HD11 LEU 26 HD11 LEU 26 -6.985 1.292 -0.002 219 HD12 LEU 26 HD12 LEU 26 -8.547 1.751 -0.679 220 HD13 LEU 26 HD13 LEU 26 -8.449 1.122 0.965 221 HD21 LEU 26 HD21 LEU 26 -5.983 2.683 1.827 222 HD22 LEU 26 HD22 LEU 26 -7.463 2.452 2.751 223 HD23 LEU 26 HD23 LEU 26 -6.865 4.082 2.439 224 H LYS 27 HN LYS 27 -7.410 6.235 -2.351 225 HA LYS 27 HA LYS 27 -4.866 6.441 -3.480 226 HB2 LYS 27 HB2 LYS 27 -6.956 6.421 -4.771 227 HB3 LYS 27 HB1 LYS 27 -7.345 8.021 -4.155 228 HG2 LYS 27 HG2 LYS 27 -5.247 8.846 -5.196 229 HG3 LYS 27 HG1 LYS 27 -5.048 7.266 -5.965 230 HD2 LYS 27 HD2 LYS 27 -6.074 8.675 -7.588 231 HD3 LYS 27 HD1 LYS 27 -7.356 7.636 -6.963 232 HE2 LYS 27 HE2 LYS 27 -8.039 9.458 -5.425 233 HE3 LYS 27 HE1 LYS 27 -6.792 10.481 -6.140 234 HZ1 LYS 27 HZ1 LYS 27 -7.939 10.209 -8.288 235 HZ2 LYS 27 HZ2 LYS 27 -8.889 10.964 -7.149 236 HZ3 LYS 27 HZ3 LYS 27 -9.153 9.344 -7.518 237 H LYS 28 HN LYS 28 -6.866 8.846 -1.907 238 HA LYS 28 HA LYS 28 -5.152 11.023 -2.272 239 HB2 LYS 28 HB2 LYS 28 -7.216 10.570 -0.124 240 HB3 LYS 28 HB1 LYS 28 -6.410 12.108 -0.432 241 HG2 LYS 28 HG2 LYS 28 -7.313 12.141 -2.689 242 HG3 LYS 28 HG1 LYS 28 -8.118 10.602 -2.386 243 HD2 LYS 28 HD2 LYS 28 -9.393 11.656 -0.573 244 HD3 LYS 28 HD1 LYS 28 -8.612 13.197 -0.955 245 HE2 LYS 28 HE2 LYS 28 -9.511 13.077 -3.212 246 HE3 LYS 28 HE1 LYS 28 -10.323 11.566 -2.805 247 HZ1 LYS 28 HZ1 LYS 28 -11.580 12.811 -1.101 248 HZ2 LYS 28 HZ2 LYS 28 -11.865 13.347 -2.655 249 HZ3 LYS 28 HZ3 LYS 28 -10.878 14.249 -1.630 250 H LYS 29 HN LYS 29 -5.349 8.628 0.274 251 HA LYS 29 HA LYS 29 -3.359 9.717 1.937 252 HB2 LYS 29 HB2 LYS 29 -4.752 7.153 1.742 253 HB3 LYS 29 HB1 LYS 29 -3.118 7.030 2.380 254 HG2 LYS 29 HG2 LYS 29 -4.738 7.286 4.163 255 HG3 LYS 29 HG1 LYS 29 -3.658 8.674 4.087 256 HD2 LYS 29 HD2 LYS 29 -5.449 9.845 2.771 257 HD3 LYS 29 HD1 LYS 29 -6.509 8.487 3.160 258 HE2 LYS 29 HE2 LYS 29 -6.894 10.200 4.805 259 HE3 LYS 29 HE1 LYS 29 -6.001 8.848 5.524 260 HZ1 LYS 29 HZ1 LYS 29 -3.996 10.048 5.477 261 HZ2 LYS 29 HZ2 LYS 29 -5.121 11.126 6.110 262 HZ3 LYS 29 HZ3 LYS 29 -4.622 11.263 4.506 263 H LEU 30 HN LEU 30 -3.189 7.600 -0.798 264 HA LEU 30 HA LEU 30 -0.432 7.010 -0.590 265 HB2 LEU 30 HB2 LEU 30 -2.211 7.017 -3.021 266 HB3 LEU 30 HB1 LEU 30 -0.630 6.270 -2.914 267 HG LEU 30 HG LEU 30 -3.058 5.452 -1.321 268 HD11 LEU 30 HD11 LEU 30 -1.726 4.119 -3.661 269 HD12 LEU 30 HD12 LEU 30 -3.304 4.902 -3.662 270 HD13 LEU 30 HD13 LEU 30 -3.042 3.447 -2.700 271 HD21 LEU 30 HD21 LEU 30 -0.303 4.234 -1.494 272 HD22 LEU 30 HD22 LEU 30 -1.691 3.509 -0.682 273 HD23 LEU 30 HD23 LEU 30 -1.020 5.026 -0.087 274 H VAL 31 HN VAL 31 -2.221 9.472 -2.407 275 HA VAL 31 HA VAL 31 0.132 10.462 -3.625 276 HB VAL 31 HB VAL 31 -2.147 10.784 -4.617 277 HG11 VAL 31 HG11 VAL 31 -2.476 12.982 -2.606 278 HG12 VAL 31 HG12 VAL 31 -3.313 11.444 -2.605 279 HG13 VAL 31 HG13 VAL 31 -3.584 12.588 -3.929 280 HG21 VAL 31 HG21 VAL 31 -0.512 13.291 -4.280 281 HG22 VAL 31 HG22 VAL 31 -1.758 13.034 -5.502 282 HG23 VAL 31 HG23 VAL 31 -0.298 12.041 -5.512 283 H GLU 32 HN GLU 32 -1.543 11.421 -0.642 284 HA GLU 32 HA GLU 32 0.110 13.682 -0.224 285 HB2 GLU 32 HB2 GLU 32 -0.685 13.646 2.142 286 HB3 GLU 32 HB1 GLU 32 -2.005 13.527 0.992 287 HG2 GLU 32 HG2 GLU 32 -2.227 11.198 1.392 288 HG3 GLU 32 HG1 GLU 32 -0.789 11.174 2.399 289 H VAL 33 HN VAL 33 0.355 10.317 0.806 290 HA VAL 33 HA VAL 33 2.492 10.704 2.549 291 HB VAL 33 HB VAL 33 0.903 8.692 2.431 292 HG11 VAL 33 HG11 VAL 33 2.936 7.659 0.486 293 HG12 VAL 33 HG12 VAL 33 1.246 8.018 0.157 294 HG13 VAL 33 HG13 VAL 33 1.668 6.704 1.260 295 HG21 VAL 33 HG21 VAL 33 2.587 7.179 3.458 296 HG22 VAL 33 HG22 VAL 33 2.601 8.826 4.089 297 HG23 VAL 33 HG23 VAL 33 3.834 8.320 2.941 298 H LEU 34 HN LEU 34 2.414 10.268 -0.864 299 HA LEU 34 HA LEU 34 4.962 9.344 -1.418 300 HB2 LEU 34 HB2 LEU 34 3.245 11.210 -3.008 301 HB3 LEU 34 HB1 LEU 34 4.776 10.598 -3.587 302 HG LEU 34 HG LEU 34 2.342 8.945 -2.930 303 HD11 LEU 34 HD11 LEU 34 3.640 9.664 -5.552 304 HD12 LEU 34 HD12 LEU 34 2.111 10.291 -4.947 305 HD13 LEU 34 HD13 LEU 34 2.260 8.580 -5.350 306 HD21 LEU 34 HD21 LEU 34 3.634 7.091 -3.925 307 HD22 LEU 34 HD22 LEU 34 4.384 7.698 -2.458 308 HD23 LEU 34 HD23 LEU 34 5.041 8.146 -4.035 309 H GLU 35 HN GLU 35 4.187 12.600 -0.320 310 HA GLU 35 HA GLU 35 6.579 13.754 -1.324 311 HB2 GLU 35 HB2 GLU 35 6.292 15.510 0.394 312 HB3 GLU 35 HB1 GLU 35 4.830 15.229 -0.534 313 HG2 GLU 35 HG2 GLU 35 3.822 14.059 1.260 314 HG3 GLU 35 HG1 GLU 35 5.341 14.001 2.153 315 H SER 36 HN SER 36 5.946 11.760 1.426 316 HA SER 36 HA SER 36 8.695 11.165 1.832 317 HB2 SER 36 HB2 SER 36 7.212 12.568 4.090 318 HB3 SER 36 HB1 SER 36 8.799 11.815 4.236 319 HG SER 36 HG SER 36 8.983 13.472 2.250 320 HA PRO 37 HA PRO 37 5.661 7.888 2.747 321 HB2 PRO 37 HB2 PRO 37 6.376 6.101 0.902 322 HB3 PRO 37 HB1 PRO 37 5.388 7.507 0.487 323 HG2 PRO 37 HG2 PRO 37 8.307 7.054 0.053 324 HG3 PRO 37 HG1 PRO 37 7.123 7.831 -1.007 325 HD2 PRO 37 HD2 PRO 37 8.899 9.198 0.641 326 HD3 PRO 37 HD1 PRO 37 7.377 9.859 0.004 327 H ARG 38 HN ARG 38 8.886 8.185 3.061 328 HA ARG 38 HA ARG 38 9.424 5.481 3.929 329 HB2 ARG 38 HB2 ARG 38 11.735 6.390 4.447 330 HB3 ARG 38 HB1 ARG 38 11.237 6.512 2.775 331 HG2 ARG 38 HG2 ARG 38 12.342 8.517 3.229 332 HG3 ARG 38 HG1 ARG 38 10.638 8.951 3.302 333 HD2 ARG 38 HD2 ARG 38 11.806 10.012 5.114 334 HD3 ARG 38 HD1 ARG 38 10.771 8.738 5.770 335 HE ARG 38 HE ARG 38 13.508 7.992 5.193 336 HH11 ARG 38 HH11 ARG 38 11.199 8.908 7.740 337 HH12 ARG 38 HH12 ARG 38 12.190 8.400 9.037 338 HH21 ARG 38 HH21 ARG 38 14.866 7.317 6.944 339 HH22 ARG 38 HH22 ARG 38 14.371 7.496 8.553 340 H ILE 39 HN ILE 39 7.389 6.456 5.330 341 HA ILE 39 HA ILE 39 8.265 7.720 7.766 342 HB ILE 39 HB ILE 39 5.500 6.745 6.965 343 HG12 ILE 39 HG12 ILE 39 6.700 9.515 6.996 344 HG13 ILE 39 HG11 ILE 39 6.510 8.523 5.565 345 HG21 ILE 39 HG21 ILE 39 5.760 6.885 9.419 346 HG22 ILE 39 HG22 ILE 39 4.676 8.138 8.814 347 HG23 ILE 39 HG23 ILE 39 6.331 8.546 9.258 348 HD11 ILE 39 HD11 ILE 39 4.072 8.591 5.894 349 HD12 ILE 39 HD12 ILE 39 4.841 10.148 5.620 350 HD13 ILE 39 HD13 ILE 39 4.320 9.705 7.260 351 H GLU 40 HN GLU 40 9.384 6.541 8.925 352 HA GLU 40 HA GLU 40 9.538 3.823 9.304 353 HB2 GLU 40 HB2 GLU 40 10.845 4.472 11.332 354 HB3 GLU 40 HB1 GLU 40 11.331 5.283 9.849 355 HG2 GLU 40 HG2 GLU 40 9.858 7.210 10.566 356 HG3 GLU 40 HG1 GLU 40 9.741 6.420 12.132 357 H ALA 41 HN ALA 41 7.443 6.104 10.820 358 HA ALA 41 HA ALA 41 6.647 4.504 13.040 359 HB1 ALA 41 HB1 ALA 41 5.225 6.820 11.731 360 HB2 ALA 41 HB2 ALA 41 6.396 6.933 13.047 361 HB3 ALA 41 HB3 ALA 41 4.845 6.131 13.309 362 H ASN 42 HN ASN 42 5.850 4.470 9.708 363 HA ASN 42 HA ASN 42 3.474 2.818 10.235 364 HB2 ASN 42 HB2 ASN 42 4.176 4.452 7.781 365 HB3 ASN 42 HB1 ASN 42 2.860 3.291 7.830 366 HD21 ASN 42 HD21 ASN 42 2.748 6.142 7.321 367 HD22 ASN 42 HD22 ASN 42 1.718 6.814 8.529 368 H LYS 43 HN LYS 43 6.702 2.426 9.659 369 HA LYS 43 HA LYS 43 6.552 0.618 7.532 370 HB2 LYS 43 HB2 LYS 43 8.458 2.164 8.078 371 HB3 LYS 43 HB1 LYS 43 8.777 1.126 9.474 372 HG2 LYS 43 HG2 LYS 43 9.136 -0.708 8.122 373 HG3 LYS 43 HG1 LYS 43 8.594 0.201 6.695 374 HD2 LYS 43 HD2 LYS 43 10.548 1.759 7.066 375 HD3 LYS 43 HD1 LYS 43 11.151 0.631 8.285 376 HE2 LYS 43 HE2 LYS 43 11.349 -1.127 6.623 377 HE3 LYS 43 HE1 LYS 43 10.585 -0.093 5.418 378 HZ1 LYS 43 HZ1 LYS 43 12.915 -0.108 5.024 379 HZ2 LYS 43 HZ2 LYS 43 13.281 0.270 6.622 380 HZ3 LYS 43 HZ3 LYS 43 12.544 1.417 5.641 381 H LEU 44 HN LEU 44 6.546 -1.472 7.665 382 HA LEU 44 HA LEU 44 5.689 -2.723 10.124 383 HB2 LEU 44 HB2 LEU 44 6.148 -3.866 7.385 384 HB3 LEU 44 HB1 LEU 44 5.416 -4.725 8.729 385 HG LEU 44 HG LEU 44 4.282 -2.381 7.220 386 HD11 LEU 44 HD11 LEU 44 3.441 -5.259 7.442 387 HD12 LEU 44 HD12 LEU 44 4.154 -4.481 6.028 388 HD13 LEU 44 HD13 LEU 44 2.555 -3.995 6.591 389 HD21 LEU 44 HD21 LEU 44 2.295 -2.731 8.582 390 HD22 LEU 44 HD22 LEU 44 3.673 -2.170 9.531 391 HD23 LEU 44 HD23 LEU 44 3.189 -3.872 9.593 392 H ARG 45 HN ARG 45 7.001 -3.688 11.448 393 HA ARG 45 HA ARG 45 9.748 -4.043 10.682 394 HB2 ARG 45 HB2 ARG 45 8.336 -4.271 13.342 395 HB3 ARG 45 HB1 ARG 45 10.074 -4.425 13.098 396 HG2 ARG 45 HG2 ARG 45 10.159 -2.128 12.246 397 HG3 ARG 45 HG1 ARG 45 8.423 -1.972 12.496 398 HD2 ARG 45 HD2 ARG 45 8.739 -2.300 14.883 399 HD3 ARG 45 HD1 ARG 45 10.478 -2.464 14.657 400 HE ARG 45 HE ARG 45 8.914 -0.030 14.110 401 HH11 ARG 45 HH11 ARG 45 12.045 -1.530 14.887 402 HH12 ARG 45 HH12 ARG 45 12.779 -0.070 15.379 403 HH21 ARG 45 HH21 ARG 45 9.986 1.996 14.770 404 HH22 ARG 45 HH22 ARG 45 11.606 1.941 15.291 405 H GLY 46 HN GLY 46 10.478 -5.898 10.037 406 HA2 GLY 46 HA2 GLY 46 10.737 -8.256 10.224 407 HA3 GLY 46 HA1 GLY 46 9.077 -8.359 10.814 408 H MET 47 HN MET 47 9.274 -6.144 8.376 409 HA MET 47 HA MET 47 8.573 -8.100 6.317 410 HB2 MET 47 HB2 MET 47 7.223 -5.487 6.956 411 HB3 MET 47 HB1 MET 47 6.965 -6.336 5.444 412 HG2 MET 47 HG2 MET 47 6.351 -7.441 8.183 413 HG3 MET 47 HG1 MET 47 5.185 -6.689 7.099 414 HE1 MET 47 HE1 MET 47 5.957 -7.740 4.227 415 HE2 MET 47 HE2 MET 47 4.320 -7.701 4.871 416 HE3 MET 47 HE3 MET 47 4.937 -9.177 4.131 417 HA PRO 48 HA PRO 48 11.781 -5.933 4.134 418 HB2 PRO 48 HB2 PRO 48 10.542 -6.768 1.611 419 HB3 PRO 48 HB1 PRO 48 12.108 -7.230 2.284 420 HG2 PRO 48 HG2 PRO 48 10.029 -8.950 2.142 421 HG3 PRO 48 HG1 PRO 48 11.222 -9.007 3.448 422 HD2 PRO 48 HD2 PRO 48 8.442 -7.896 3.481 423 HD3 PRO 48 HD1 PRO 48 9.337 -8.815 4.712 424 H ASP 49 HN ASP 49 11.210 -3.859 4.574 425 HA ASP 49 HA ASP 49 10.629 -1.718 4.237 426 HB2 ASP 49 HB2 ASP 49 11.181 -2.592 1.423 427 HB3 ASP 49 HB1 ASP 49 10.723 -0.930 1.782 428 H CYS 50 HN CYS 50 8.436 -3.245 4.698 429 HA CYS 50 HA CYS 50 6.424 -2.207 2.850 430 HB2 CYS 50 HB2 CYS 50 6.138 -4.225 5.078 431 HB3 CYS 50 HB1 CYS 50 4.911 -3.813 3.883 432 HG CYS 50 HG CYS 50 7.766 -4.806 2.486 433 H TYR 51 HN TYR 51 4.805 -0.887 3.553 434 HA TYR 51 HA TYR 51 4.896 0.184 6.279 435 HB2 TYR 51 HB2 TYR 51 4.650 1.750 3.685 436 HB3 TYR 51 HB1 TYR 51 4.467 2.426 5.290 437 HD1 TYR 51 HD2 TYR 51 7.002 0.558 3.250 438 HD2 TYR 51 HD1 TYR 51 6.291 3.543 6.181 439 HE1 TYR 51 HE2 TYR 51 9.389 1.116 3.244 440 HE2 TYR 51 HE1 TYR 51 8.678 4.109 6.178 441 HH TYR 51 HH TYR 51 10.837 2.910 3.797 442 H LYS 52 HN LYS 52 2.786 1.096 6.842 443 HA LYS 52 HA LYS 52 0.622 0.158 5.085 444 HB2 LYS 52 HB2 LYS 52 -0.632 -0.617 7.055 445 HB3 LYS 52 HB1 LYS 52 0.849 -1.524 6.791 446 HG2 LYS 52 HG2 LYS 52 1.948 -0.441 8.588 447 HG3 LYS 52 HG1 LYS 52 0.673 0.766 8.722 448 HD2 LYS 52 HD2 LYS 52 -0.873 -0.887 9.527 449 HD3 LYS 52 HD1 LYS 52 0.295 -2.179 9.235 450 HE2 LYS 52 HE2 LYS 52 1.778 -1.275 10.890 451 HE3 LYS 52 HE1 LYS 52 0.739 0.124 11.129 452 HZ1 LYS 52 HZ1 LYS 52 -0.092 -2.679 11.683 453 HZ2 LYS 52 HZ2 LYS 52 -0.925 -1.271 12.086 454 HZ3 LYS 52 HZ3 LYS 52 0.537 -1.620 12.829 455 H ILE 53 HN ILE 53 -1.105 1.421 4.955 456 HA ILE 53 HA ILE 53 -1.404 3.576 6.910 457 HB ILE 53 HB ILE 53 -2.324 3.641 4.008 458 HG12 ILE 53 HG12 ILE 53 -0.267 5.357 5.447 459 HG13 ILE 53 HG11 ILE 53 0.105 4.097 4.281 460 HG21 ILE 53 HG21 ILE 53 -3.212 5.918 4.533 461 HG22 ILE 53 HG22 ILE 53 -2.700 5.716 6.201 462 HG23 ILE 53 HG23 ILE 53 -3.955 4.688 5.560 463 HD11 ILE 53 HD11 ILE 53 -1.059 5.392 2.545 464 HD12 ILE 53 HD12 ILE 53 0.276 6.287 3.265 465 HD13 ILE 53 HD13 ILE 53 -1.387 6.656 3.731 466 H LYS 54 HN LYS 54 -3.106 3.240 8.112 467 HA LYS 54 HA LYS 54 -5.162 1.618 6.919 468 HB2 LYS 54 HB2 LYS 54 -5.992 1.171 9.256 469 HB3 LYS 54 HB1 LYS 54 -4.412 0.541 8.892 470 HG2 LYS 54 HG2 LYS 54 -4.271 1.326 11.087 471 HG3 LYS 54 HG1 LYS 54 -3.453 2.534 10.112 472 HD2 LYS 54 HD2 LYS 54 -4.935 3.437 11.902 473 HD3 LYS 54 HD1 LYS 54 -5.298 4.007 10.260 474 HE2 LYS 54 HE2 LYS 54 -7.150 2.720 10.071 475 HE3 LYS 54 HE1 LYS 54 -6.702 1.620 11.383 476 HZ1 LYS 54 HZ1 LYS 54 -7.634 4.455 11.689 477 HZ2 LYS 54 HZ2 LYS 54 -7.130 3.445 12.929 478 HZ3 LYS 54 HZ3 LYS 54 -8.490 3.054 12.068 479 H LEU 55 HN LEU 55 -7.077 2.307 6.556 480 HA LEU 55 HA LEU 55 -7.331 5.146 6.369 481 HB2 LEU 55 HB2 LEU 55 -8.017 3.290 4.685 482 HB3 LEU 55 HB1 LEU 55 -9.454 3.137 5.660 483 HG LEU 55 HG LEU 55 -9.726 4.508 3.573 484 HD11 LEU 55 HD11 LEU 55 -10.214 5.995 6.133 485 HD12 LEU 55 HD12 LEU 55 -11.283 4.789 5.420 486 HD13 LEU 55 HD13 LEU 55 -10.989 6.315 4.583 487 HD21 LEU 55 HD21 LEU 55 -7.504 5.559 3.657 488 HD22 LEU 55 HD22 LEU 55 -8.040 6.527 5.037 489 HD23 LEU 55 HD23 LEU 55 -8.815 6.715 3.468 490 H ARG 56 HN ARG 56 -7.779 6.167 8.139 491 HA ARG 56 HA ARG 56 -8.947 5.187 10.452 492 HB2 ARG 56 HB2 ARG 56 -9.084 7.567 11.183 493 HB3 ARG 56 HB1 ARG 56 -7.511 7.063 10.593 494 HG2 ARG 56 HG2 ARG 56 -7.934 8.191 8.460 495 HG3 ARG 56 HG1 ARG 56 -9.539 8.638 9.019 496 HD2 ARG 56 HD2 ARG 56 -7.897 10.474 9.202 497 HD3 ARG 56 HD1 ARG 56 -8.627 10.024 10.741 498 HE ARG 56 HE ARG 56 -6.261 8.593 10.515 499 HH11 ARG 56 HH11 ARG 56 -7.114 12.021 10.577 500 HH12 ARG 56 HH12 ARG 56 -5.760 12.504 11.484 501 HH21 ARG 56 HH21 ARG 56 -4.411 9.233 11.801 502 HH22 ARG 56 HH22 ARG 56 -4.201 10.874 12.210 503 H SER 57 HN SER 57 -10.579 6.932 7.811 504 HA SER 57 HA SER 57 -12.974 7.095 9.347 505 HB2 SER 57 HB2 SER 57 -13.654 8.158 7.040 506 HB3 SER 57 HB1 SER 57 -12.619 9.026 8.181 507 HG SER 57 HG SER 57 -12.057 8.353 5.693 508 H SER 58 HN SER 58 -11.914 4.380 8.291 509 HA SER 58 HA SER 58 -14.540 3.446 7.577 510 HB2 SER 58 HB2 SER 58 -13.626 4.136 5.353 511 HB3 SER 58 HB1 SER 58 -12.319 2.975 5.572 512 HG SER 58 HG SER 58 -14.741 2.569 4.613 513 H GLY 59 HN GLY 59 -11.099 2.544 7.915 514 HA2 GLY 59 HA2 GLY 59 -10.513 0.870 9.525 515 HA3 GLY 59 HA1 GLY 59 -12.059 0.090 9.217 516 H TYR 60 HN TYR 60 -10.265 1.238 6.515 517 HA TYR 60 HA TYR 60 -9.683 -1.524 5.816 518 HB2 TYR 60 HB2 TYR 60 -9.912 0.988 4.194 519 HB3 TYR 60 HB1 TYR 60 -9.030 -0.392 3.562 520 HD1 TYR 60 HD1 TYR 60 -12.353 0.314 5.168 521 HD2 TYR 60 HD2 TYR 60 -10.191 -1.823 2.195 522 HE1 TYR 60 HE1 TYR 60 -14.464 -0.623 4.305 523 HE2 TYR 60 HE2 TYR 60 -12.287 -2.768 1.334 524 HH TYR 60 HH TYR 60 -15.354 -1.577 2.308 525 H ARG 61 HN ARG 61 -7.628 -2.058 4.948 526 HA ARG 61 HA ARG 61 -5.463 -0.414 6.026 527 HB2 ARG 61 HB2 ARG 61 -5.863 -3.399 6.185 528 HB3 ARG 61 HB1 ARG 61 -4.268 -2.688 6.279 529 HG2 ARG 61 HG2 ARG 61 -5.012 -3.186 8.486 530 HG3 ARG 61 HG1 ARG 61 -5.003 -1.443 8.301 531 HD2 ARG 61 HD2 ARG 61 -7.443 -1.452 8.052 532 HD3 ARG 61 HD1 ARG 61 -7.453 -3.220 8.158 533 HE ARG 61 HE ARG 61 -6.102 -2.167 10.348 534 HH11 ARG 61 HH11 ARG 61 -9.512 -2.208 9.252 535 HH12 ARG 61 HH12 ARG 61 -10.123 -2.323 10.822 536 HH21 ARG 61 HH21 ARG 61 -7.019 -2.273 12.480 537 HH22 ARG 61 HH22 ARG 61 -8.698 -2.359 12.687 538 H LEU 62 HN LEU 62 -3.839 -0.054 4.630 539 HA LEU 62 HA LEU 62 -3.727 -1.691 2.227 540 HB2 LEU 62 HB2 LEU 62 -4.819 0.528 1.806 541 HB3 LEU 62 HB1 LEU 62 -3.388 1.324 2.403 542 HG LEU 62 HG LEU 62 -3.334 -0.440 -0.054 543 HD11 LEU 62 HD11 LEU 62 -3.496 1.624 -1.362 544 HD12 LEU 62 HD12 LEU 62 -3.789 2.542 0.117 545 HD13 LEU 62 HD13 LEU 62 -4.961 1.339 -0.425 546 HD21 LEU 62 HD21 LEU 62 -1.566 1.793 0.912 547 HD22 LEU 62 HD22 LEU 62 -1.362 0.903 -0.596 548 HD23 LEU 62 HD23 LEU 62 -1.165 0.074 0.952 549 H VAL 63 HN VAL 63 -1.757 -2.545 1.971 550 HA VAL 63 HA VAL 63 0.472 -1.432 3.530 551 HB VAL 63 HB VAL 63 0.017 -4.338 2.768 552 HG11 VAL 63 HG11 VAL 63 2.384 -3.756 2.930 553 HG12 VAL 63 HG12 VAL 63 1.901 -4.826 4.249 554 HG13 VAL 63 HG13 VAL 63 2.117 -3.107 4.550 555 HG21 VAL 63 HG21 VAL 63 -0.376 -4.742 5.167 556 HG22 VAL 63 HG22 VAL 63 -1.580 -3.655 4.479 557 HG23 VAL 63 HG23 VAL 63 -0.271 -3.008 5.466 558 H TYR 64 HN TYR 64 2.206 -0.893 2.389 559 HA TYR 64 HA TYR 64 2.485 -1.906 -0.329 560 HB2 TYR 64 HB2 TYR 64 3.085 0.397 -1.128 561 HB3 TYR 64 HB1 TYR 64 1.410 0.210 -0.655 562 HD1 TYR 64 HD1 TYR 64 4.666 1.394 0.786 563 HD2 TYR 64 HD2 TYR 64 0.456 1.837 0.635 564 HE1 TYR 64 HE1 TYR 64 4.835 3.413 2.165 565 HE2 TYR 64 HE2 TYR 64 0.603 3.846 2.018 566 HH TYR 64 HH TYR 64 3.555 5.418 2.616 567 H GLN 65 HN GLN 65 4.641 -1.674 -1.184 568 HA GLN 65 HA GLN 65 6.632 -1.595 0.965 569 HB2 GLN 65 HB2 GLN 65 8.055 -2.944 -0.429 570 HB3 GLN 65 HB1 GLN 65 6.475 -3.705 -0.394 571 HG2 GLN 65 HG2 GLN 65 5.973 -2.720 -2.582 572 HG3 GLN 65 HG1 GLN 65 7.584 -2.007 -2.619 573 HE21 GLN 65 HE21 GLN 65 9.368 -3.414 -2.736 574 HE22 GLN 65 HE22 GLN 65 9.218 -4.988 -3.410 575 H VAL 66 HN VAL 66 8.266 -0.159 0.843 576 HA VAL 66 HA VAL 66 8.136 1.723 -1.415 577 HB VAL 66 HB VAL 66 9.199 2.186 1.399 578 HG11 VAL 66 HG11 VAL 66 9.107 4.106 -0.930 579 HG12 VAL 66 HG12 VAL 66 10.551 3.412 -0.198 580 HG13 VAL 66 HG13 VAL 66 9.541 4.517 0.730 581 HG21 VAL 66 HG21 VAL 66 7.388 3.828 1.580 582 HG22 VAL 66 HG22 VAL 66 6.779 2.198 1.309 583 HG23 VAL 66 HG23 VAL 66 6.802 3.360 -0.016 584 H ILE 67 HN ILE 67 9.626 1.244 -2.869 585 HA ILE 67 HA ILE 67 12.158 0.144 -1.946 586 HB ILE 67 HB ILE 67 11.282 0.546 -4.823 587 HG12 ILE 67 HG12 ILE 67 11.015 -1.980 -3.165 588 HG13 ILE 67 HG11 ILE 67 9.675 -0.939 -3.628 589 HG21 ILE 67 HG21 ILE 67 13.012 -1.151 -5.272 590 HG22 ILE 67 HG22 ILE 67 13.357 -1.253 -3.549 591 HG23 ILE 67 HG23 ILE 67 13.692 0.240 -4.425 592 HD11 ILE 67 HD11 ILE 67 10.152 -1.405 -5.984 593 HD12 ILE 67 HD12 ILE 67 9.779 -2.869 -5.074 594 HD13 ILE 67 HD13 ILE 67 11.453 -2.497 -5.502 595 H ASP 68 HN ASP 68 13.347 1.749 -1.300 596 HA ASP 68 HA ASP 68 13.195 4.423 -2.262 597 HB2 ASP 68 HB2 ASP 68 13.843 4.009 0.023 598 HB3 ASP 68 HB1 ASP 68 15.208 3.032 -0.501 599 H GLU 69 HN GLU 69 15.301 1.750 -2.918 600 HA GLU 69 HA GLU 69 17.286 3.110 -4.373 601 HB2 GLU 69 HB2 GLU 69 16.266 0.301 -4.653 602 HB3 GLU 69 HB1 GLU 69 17.716 0.912 -5.428 603 HG2 GLU 69 HG2 GLU 69 18.743 1.291 -3.286 604 HG3 GLU 69 HG1 GLU 69 17.264 0.804 -2.459 605 H LYS 70 HN LYS 70 14.230 1.723 -5.373 606 HA LYS 70 HA LYS 70 14.734 2.507 -8.141 607 HB2 LYS 70 HB2 LYS 70 12.506 0.884 -6.915 608 HB3 LYS 70 HB1 LYS 70 12.644 1.241 -8.634 609 HG2 LYS 70 HG2 LYS 70 14.732 -0.017 -8.719 610 HG3 LYS 70 HG1 LYS 70 14.617 -0.335 -6.988 611 HD2 LYS 70 HD2 LYS 70 12.508 -1.542 -7.351 612 HD3 LYS 70 HD1 LYS 70 12.629 -1.219 -9.079 613 HE2 LYS 70 HE2 LYS 70 14.665 -2.512 -9.215 614 HE3 LYS 70 HE1 LYS 70 14.663 -2.773 -7.478 615 HZ1 LYS 70 HZ1 LYS 70 13.831 -4.687 -8.661 616 HZ2 LYS 70 HZ2 LYS 70 12.645 -3.791 -9.412 617 HZ3 LYS 70 HZ3 LYS 70 12.570 -4.054 -7.751 618 H VAL 71 HN VAL 71 13.452 3.799 -5.399 619 HA VAL 71 HA VAL 71 12.162 5.553 -4.854 620 HB VAL 71 HB VAL 71 12.558 6.420 -7.761 621 HG11 VAL 71 HG11 VAL 71 10.925 7.812 -6.649 622 HG12 VAL 71 HG12 VAL 71 12.412 8.732 -6.886 623 HG13 VAL 71 HG13 VAL 71 12.017 8.079 -5.292 624 HG21 VAL 71 HG21 VAL 71 14.698 5.885 -6.769 625 HG22 VAL 71 HG22 VAL 71 14.335 6.906 -5.376 626 HG23 VAL 71 HG23 VAL 71 14.546 7.634 -6.966 627 H VAL 72 HN VAL 72 10.794 3.233 -5.481 628 HA VAL 72 HA VAL 72 8.288 4.338 -6.437 629 HB VAL 72 HB VAL 72 9.258 3.253 -8.431 630 HG11 VAL 72 HG11 VAL 72 9.279 0.739 -6.816 631 HG12 VAL 72 HG12 VAL 72 10.673 1.645 -7.413 632 HG13 VAL 72 HG13 VAL 72 9.575 0.860 -8.553 633 HG21 VAL 72 HG21 VAL 72 6.909 1.714 -7.320 634 HG22 VAL 72 HG22 VAL 72 7.391 1.760 -9.014 635 HG23 VAL 72 HG23 VAL 72 6.823 3.228 -8.218 636 H VAL 73 HN VAL 73 6.538 3.572 -5.532 637 HA VAL 73 HA VAL 73 6.839 1.752 -3.270 638 HB VAL 73 HB VAL 73 4.751 3.859 -3.869 639 HG11 VAL 73 HG11 VAL 73 3.868 2.089 -2.511 640 HG12 VAL 73 HG12 VAL 73 4.054 3.553 -1.549 641 HG13 VAL 73 HG13 VAL 73 5.219 2.234 -1.389 642 HG21 VAL 73 HG21 VAL 73 5.793 5.151 -2.026 643 HG22 VAL 73 HG22 VAL 73 6.834 4.952 -3.433 644 HG23 VAL 73 HG23 VAL 73 7.111 3.972 -1.998 645 H PHE 74 HN PHE 74 5.834 -0.155 -3.497 646 HA PHE 74 HA PHE 74 3.725 -0.411 -5.546 647 HB2 PHE 74 HB2 PHE 74 5.715 -2.480 -4.605 648 HB3 PHE 74 HB1 PHE 74 4.282 -2.897 -5.521 649 HD1 PHE 74 HD1 PHE 74 4.031 -1.847 -7.826 650 HD2 PHE 74 HD2 PHE 74 7.679 -1.885 -5.650 651 HE1 PHE 74 HE1 PHE 74 5.275 -1.528 -9.917 652 HE2 PHE 74 HE2 PHE 74 8.930 -1.558 -7.742 653 HZ PHE 74 HZ PHE 74 7.732 -1.381 -9.875 654 H VAL 75 HN VAL 75 1.823 -0.564 -4.681 655 HA VAL 75 HA VAL 75 1.308 -1.301 -1.962 656 HB VAL 75 HB VAL 75 -0.608 -1.192 -4.318 657 HG11 VAL 75 HG11 VAL 75 -1.547 -2.503 -2.519 658 HG12 VAL 75 HG12 VAL 75 -2.387 -0.955 -2.638 659 HG13 VAL 75 HG13 VAL 75 -1.200 -1.222 -1.361 660 HG21 VAL 75 HG21 VAL 75 -1.227 1.035 -3.456 661 HG22 VAL 75 HG22 VAL 75 0.454 0.951 -3.971 662 HG23 VAL 75 HG23 VAL 75 0.061 0.913 -2.254 663 H ILE 76 HN ILE 76 1.216 -3.334 -1.134 664 HA ILE 76 HA ILE 76 1.380 -5.550 -3.057 665 HB ILE 76 HB ILE 76 1.853 -5.594 -0.062 666 HG12 ILE 76 HG12 ILE 76 3.881 -5.566 -2.315 667 HG13 ILE 76 HG11 ILE 76 3.547 -4.224 -1.224 668 HG21 ILE 76 HG21 ILE 76 2.888 -7.783 -0.472 669 HG22 ILE 76 HG22 ILE 76 2.453 -7.661 -2.175 670 HG23 ILE 76 HG23 ILE 76 1.187 -7.765 -0.951 671 HD11 ILE 76 HD11 ILE 76 4.594 -6.917 -0.390 672 HD12 ILE 76 HD12 ILE 76 4.355 -5.525 0.660 673 HD13 ILE 76 HD13 ILE 76 5.582 -5.479 -0.616 674 H SER 77 HN SER 77 -0.451 -4.480 -0.198 675 HA SER 77 HA SER 77 -2.563 -6.270 -1.015 676 HB2 SER 77 HB2 SER 77 -2.790 -7.056 1.383 677 HB3 SER 77 HB1 SER 77 -1.330 -7.609 0.556 678 HG SER 77 HG SER 77 -0.955 -6.822 2.700 679 H VAL 78 HN VAL 78 -4.618 -5.559 -0.469 680 HA VAL 78 HA VAL 78 -4.900 -3.278 1.222 681 HB VAL 78 HB VAL 78 -4.431 -2.237 -0.974 682 HG11 VAL 78 HG11 VAL 78 -5.944 -2.492 -2.874 683 HG12 VAL 78 HG12 VAL 78 -6.803 -3.762 -2.004 684 HG13 VAL 78 HG13 VAL 78 -5.116 -3.996 -2.462 685 HG21 VAL 78 HG21 VAL 78 -5.968 -1.070 0.501 686 HG22 VAL 78 HG22 VAL 78 -7.326 -1.973 -0.169 687 HG23 VAL 78 HG23 VAL 78 -6.442 -0.832 -1.183 688 H GLY 79 HN GLY 79 -6.887 -3.215 2.145 689 HA2 GLY 79 HA2 GLY 79 -9.315 -3.989 1.425 690 HA3 GLY 79 HA1 GLY 79 -8.578 -5.555 1.737 691 H LYS 80 HN LYS 80 -9.601 -6.135 3.590 692 HA LYS 80 HA LYS 80 -9.338 -4.282 5.849 693 HB2 LYS 80 HB2 LYS 80 -11.477 -6.371 5.384 694 HB3 LYS 80 HB1 LYS 80 -11.287 -5.428 6.854 695 HG2 LYS 80 HG2 LYS 80 -11.736 -3.376 5.596 696 HG3 LYS 80 HG1 LYS 80 -11.911 -4.318 4.119 697 HD2 LYS 80 HD2 LYS 80 -14.099 -3.789 5.017 698 HD3 LYS 80 HD1 LYS 80 -13.816 -5.525 5.144 699 HE2 LYS 80 HE2 LYS 80 -13.224 -5.242 7.508 700 HE3 LYS 80 HE1 LYS 80 -13.504 -3.507 7.367 701 HZ1 LYS 80 HZ1 LYS 80 -15.396 -4.646 8.342 702 HZ2 LYS 80 HZ2 LYS 80 -15.510 -5.655 7.027 703 HZ3 LYS 80 HZ3 LYS 80 -15.855 -4.017 6.842 704 H ALA 81 HN ALA 81 -8.965 -5.264 7.904 705 HA ALA 81 HA ALA 81 -7.821 -7.939 7.776 706 HB1 ALA 81 HB1 ALA 81 -6.015 -7.182 9.271 707 HB2 ALA 81 HB2 ALA 81 -6.630 -5.534 9.169 708 HB3 ALA 81 HB3 ALA 81 -5.978 -6.321 7.731 709 H GLU 82 HN GLU 82 -8.587 -9.163 9.399 710 HA GLU 82 HA GLU 82 -10.345 -7.902 11.360 711 HB2 GLU 82 HB2 GLU 82 -9.918 -10.815 10.659 712 HB3 GLU 82 HB1 GLU 82 -11.115 -10.199 11.789 713 HG2 GLU 82 HG2 GLU 82 -11.032 -9.619 8.839 714 HG3 GLU 82 HG1 GLU 82 -12.100 -10.775 9.627 715 H ALA 83 HN ALA 83 -7.531 -9.908 10.971 716 HA ALA 83 HA ALA 83 -6.798 -9.310 13.735 717 HB1 ALA 83 HB1 ALA 83 -7.541 -11.638 13.612 718 HB2 ALA 83 HB2 ALA 83 -5.811 -11.539 13.941 719 HB3 ALA 83 HB3 ALA 83 -6.378 -11.944 12.321 720 H SER 84 HN SER 84 -5.406 -10.749 10.756 721 HA SER 84 HA SER 84 -3.357 -8.702 10.653 722 HB2 SER 84 HB2 SER 84 -2.614 -10.267 12.500 723 HB3 SER 84 HB1 SER 84 -2.522 -11.543 11.296 724 HG SER 84 HG SER 84 -0.909 -10.432 10.253 725 H GLU 85 HN GLU 85 -5.429 -10.103 8.926 726 HA GLU 85 HA GLU 85 -4.376 -11.960 7.177 727 HB2 GLU 85 HB2 GLU 85 -6.612 -9.970 6.776 728 HB3 GLU 85 HB1 GLU 85 -6.265 -11.301 5.694 729 HG2 GLU 85 HG2 GLU 85 -8.148 -11.795 7.192 730 HG3 GLU 85 HG1 GLU 85 -6.804 -12.902 7.452 731 H VAL 86 HN VAL 86 -4.534 -8.439 6.826 732 HA VAL 86 HA VAL 86 -3.598 -8.403 4.169 733 HB VAL 86 HB VAL 86 -3.176 -5.985 4.462 734 HG11 VAL 86 HG11 VAL 86 -5.473 -5.322 4.985 735 HG12 VAL 86 HG12 VAL 86 -5.784 -6.944 5.609 736 HG13 VAL 86 HG13 VAL 86 -5.400 -6.712 3.906 737 HG21 VAL 86 HG21 VAL 86 -2.320 -5.961 6.740 738 HG22 VAL 86 HG22 VAL 86 -3.876 -6.497 7.356 739 HG23 VAL 86 HG23 VAL 86 -3.723 -4.899 6.619 740 H TYR 87 HN TYR 87 -1.886 -8.707 7.129 741 HA TYR 87 HA TYR 87 0.683 -7.901 6.078 742 HB2 TYR 87 HB2 TYR 87 0.021 -9.460 8.595 743 HB3 TYR 87 HB1 TYR 87 1.566 -8.713 8.217 744 HD1 TYR 87 HD2 TYR 87 -1.897 -8.111 9.244 745 HD2 TYR 87 HD1 TYR 87 1.888 -6.336 8.526 746 HE1 TYR 87 HE2 TYR 87 -2.643 -6.086 10.408 747 HE2 TYR 87 HE1 TYR 87 1.154 -4.299 9.689 748 HH TYR 87 HH TYR 87 -1.659 -4.223 11.571 749 H SER 88 HN SER 88 -1.009 -10.878 6.948 750 HA SER 88 HA SER 88 0.975 -12.690 6.194 751 HB2 SER 88 HB2 SER 88 -2.021 -13.026 6.289 752 HB3 SER 88 HB1 SER 88 -0.823 -14.322 6.357 753 HG SER 88 HG SER 88 -1.192 -13.964 8.428 754 H GLU 89 HN GLU 89 -1.745 -11.333 4.365 755 HA GLU 89 HA GLU 89 -1.148 -12.795 2.047 756 HB2 GLU 89 HB2 GLU 89 -2.751 -10.300 2.488 757 HB3 GLU 89 HB1 GLU 89 -2.532 -10.989 0.882 758 HG2 GLU 89 HG2 GLU 89 -3.689 -12.456 3.241 759 HG3 GLU 89 HG1 GLU 89 -4.628 -11.708 1.947 760 H ALA 90 HN ALA 90 0.201 -9.870 3.295 761 HA ALA 90 HA ALA 90 1.439 -9.044 0.891 762 HB1 ALA 90 HB1 ALA 90 1.130 -7.505 2.780 763 HB2 ALA 90 HB2 ALA 90 2.829 -7.610 2.317 764 HB3 ALA 90 HB3 ALA 90 2.246 -8.468 3.745 765 H VAL 91 HN VAL 91 2.581 -10.945 3.684 766 HA VAL 91 HA VAL 91 5.115 -11.444 2.469 767 HB VAL 91 HB VAL 91 4.814 -11.456 4.946 768 HG11 VAL 91 HG11 VAL 91 2.713 -12.571 5.128 769 HG12 VAL 91 HG12 VAL 91 3.935 -13.402 6.097 770 HG13 VAL 91 HG13 VAL 91 3.426 -14.075 4.546 771 HG21 VAL 91 HG21 VAL 91 6.801 -12.485 4.033 772 HG22 VAL 91 HG22 VAL 91 5.948 -14.014 3.835 773 HG23 VAL 91 HG23 VAL 91 6.257 -13.381 5.452 774 H LYS 92 HN LYS 92 2.063 -12.954 2.266 775 HA LYS 92 HA LYS 92 2.664 -15.486 1.212 776 HB2 LYS 92 HB2 LYS 92 0.411 -13.587 1.052 777 HB3 LYS 92 HB1 LYS 92 0.386 -14.950 -0.070 778 HG2 LYS 92 HG2 LYS 92 0.723 -15.283 2.892 779 HG3 LYS 92 HG1 LYS 92 -0.874 -15.111 2.164 780 HD2 LYS 92 HD2 LYS 92 1.132 -17.203 1.343 781 HD3 LYS 92 HD1 LYS 92 -0.128 -17.483 2.545 782 HE2 LYS 92 HE2 LYS 92 -0.583 -16.686 -0.341 783 HE3 LYS 92 HE1 LYS 92 -0.785 -18.291 0.334 784 HZ1 LYS 92 HZ1 LYS 92 -2.546 -17.436 1.774 785 HZ2 LYS 92 HZ2 LYS 92 -2.918 -17.160 0.173 786 HZ3 LYS 92 HZ3 LYS 92 -2.395 -15.889 1.137 787 H ARG 93 HN ARG 93 2.835 -12.325 -0.231 788 HA ARG 93 HA ARG 93 3.064 -13.393 -2.929 789 HB2 ARG 93 HB2 ARG 93 1.943 -11.177 -2.357 790 HB3 ARG 93 HB1 ARG 93 3.558 -10.559 -2.040 791 HG2 ARG 93 HG2 ARG 93 3.990 -11.578 -4.452 792 HG3 ARG 93 HG1 ARG 93 2.264 -11.250 -4.606 793 HD2 ARG 93 HD2 ARG 93 3.479 -9.341 -5.389 794 HD3 ARG 93 HD1 ARG 93 2.724 -8.924 -3.853 795 HE ARG 93 HE ARG 93 5.288 -9.889 -3.333 796 HH11 ARG 93 HH11 ARG 93 3.914 -7.129 -5.091 797 HH12 ARG 93 HH12 ARG 93 5.124 -6.043 -4.543 798 HH21 ARG 93 HH21 ARG 93 6.993 -8.403 -2.698 799 HH22 ARG 93 HH22 ARG 93 6.866 -6.771 -3.173 800 H ILE 94 HN ILE 94 5.021 -12.932 -0.300 801 HA ILE 94 HA ILE 94 7.378 -12.234 -1.850 802 HB ILE 94 HB ILE 94 6.995 -12.396 1.165 803 HG12 ILE 94 HG12 ILE 94 7.168 -10.003 -0.678 804 HG13 ILE 94 HG11 ILE 94 5.689 -10.619 0.045 805 HG21 ILE 94 HG21 ILE 94 9.144 -11.240 1.312 806 HG22 ILE 94 HG22 ILE 94 9.291 -11.273 -0.444 807 HG23 ILE 94 HG23 ILE 94 9.329 -12.784 0.472 808 HD11 ILE 94 HD11 ILE 94 8.045 -9.449 1.496 809 HD12 ILE 94 HD12 ILE 94 6.587 -10.093 2.257 810 HD13 ILE 94 HD13 ILE 94 6.481 -8.677 1.208 811 H LEU 95 HN LEU 95 6.517 -14.635 0.676 812 HA LEU 95 HA LEU 95 7.868 -16.584 -0.914 813 HB2 LEU 95 HB2 LEU 95 9.159 -17.560 0.938 814 HB3 LEU 95 HB1 LEU 95 9.694 -15.948 0.558 815 HG LEU 95 HG LEU 95 7.935 -16.582 2.940 816 HD11 LEU 95 HD11 LEU 95 9.988 -16.495 4.266 817 HD12 LEU 95 HD12 LEU 95 10.942 -16.339 2.794 818 HD13 LEU 95 HD13 LEU 95 10.033 -17.818 3.105 819 HD21 LEU 95 HD21 LEU 95 9.717 -14.225 2.315 820 HD22 LEU 95 HD22 LEU 95 8.754 -14.444 3.777 821 HD23 LEU 95 HD23 LEU 95 7.957 -14.234 2.217 Start of MODEL 9 1 H MET 1 H MET 1 10.266 15.920 -2.225 2 HA MET 1 HA MET 1 11.446 14.439 -3.601 3 HB2 MET 1 HB2 MET 1 13.021 13.596 -1.835 4 HB3 MET 1 HB1 MET 1 11.676 12.713 -1.122 5 HG2 MET 1 HG2 MET 1 11.475 11.372 -3.153 6 HG3 MET 1 HG1 MET 1 12.822 12.253 -3.867 7 HE1 MET 1 HE1 MET 1 14.046 9.998 -4.409 8 HE2 MET 1 HE2 MET 1 12.717 9.076 -3.702 9 HE3 MET 1 HE3 MET 1 14.378 8.738 -3.221 10 H ALA 2 HN ALA 2 10.190 12.916 -4.692 11 HA ALA 2 HA ALA 2 7.804 11.997 -3.291 12 HB1 ALA 2 HB1 ALA 2 7.877 13.141 -6.089 13 HB2 ALA 2 HB2 ALA 2 7.170 13.922 -4.673 14 HB3 ALA 2 HB3 ALA 2 6.472 12.426 -5.295 15 H TYR 3 HN TYR 3 6.970 10.063 -4.162 16 HA TYR 3 HA TYR 3 8.889 8.551 -5.782 17 HB2 TYR 3 HB2 TYR 3 7.137 7.611 -3.487 18 HB3 TYR 3 HB1 TYR 3 7.976 6.523 -4.578 19 HD1 TYR 3 HD1 TYR 3 8.718 9.407 -2.287 20 HD2 TYR 3 HD2 TYR 3 10.011 5.681 -3.877 21 HE1 TYR 3 HE1 TYR 3 10.646 9.428 -0.759 22 HE2 TYR 3 HE2 TYR 3 11.942 5.703 -2.351 23 HH TYR 3 HH TYR 3 13.267 7.178 -1.023 24 H PHE 4 HN PHE 4 7.733 6.710 -6.885 25 HA PHE 4 HA PHE 4 5.262 7.750 -8.037 26 HB2 PHE 4 HB2 PHE 4 7.248 5.703 -8.977 27 HB3 PHE 4 HB1 PHE 4 5.755 6.005 -9.846 28 HD1 PHE 4 HD1 PHE 4 5.399 8.263 -10.863 29 HD2 PHE 4 HD2 PHE 4 9.110 7.142 -9.115 30 HE1 PHE 4 HE1 PHE 4 6.509 10.128 -12.023 31 HE2 PHE 4 HE2 PHE 4 10.222 9.002 -10.266 32 HZ PHE 4 HZ PHE 4 8.925 10.498 -11.719 33 H LEU 5 HN LEU 5 3.570 6.171 -8.625 34 HA LEU 5 HA LEU 5 3.222 4.188 -6.499 35 HB2 LEU 5 HB2 LEU 5 1.325 5.889 -8.001 36 HB3 LEU 5 HB1 LEU 5 0.783 4.274 -7.617 37 HG LEU 5 HG LEU 5 -0.041 5.822 -5.957 38 HD11 LEU 5 HD11 LEU 5 2.148 4.106 -4.848 39 HD12 LEU 5 HD12 LEU 5 0.489 3.624 -5.192 40 HD13 LEU 5 HD13 LEU 5 0.822 4.813 -3.936 41 HD21 LEU 5 HD21 LEU 5 2.841 6.521 -5.495 42 HD22 LEU 5 HD22 LEU 5 1.476 7.065 -4.510 43 HD23 LEU 5 HD23 LEU 5 1.608 7.570 -6.202 44 H ASP 6 HN ASP 6 3.200 2.116 -6.917 45 HA ASP 6 HA ASP 6 2.205 1.241 -9.496 46 HB2 ASP 6 HB2 ASP 6 4.757 1.067 -9.516 47 HB3 ASP 6 HB1 ASP 6 4.566 -0.062 -8.168 48 H PHE 7 HN PHE 7 1.313 -0.821 -9.405 49 HA PHE 7 HA PHE 7 0.545 -1.679 -6.699 50 HB2 PHE 7 HB2 PHE 7 -1.349 -1.282 -9.032 51 HB3 PHE 7 HB1 PHE 7 -1.778 -1.979 -7.484 52 HD1 PHE 7 HD2 PHE 7 -0.780 1.143 -9.198 53 HD2 PHE 7 HD1 PHE 7 -2.371 -0.597 -5.655 54 HE1 PHE 7 HE2 PHE 7 -1.439 3.375 -8.404 55 HE2 PHE 7 HE1 PHE 7 -3.042 1.634 -4.861 56 HZ PHE 7 HZ PHE 7 -2.574 3.621 -6.234 57 H ASP 8 HN ASP 8 0.636 -3.860 -6.519 58 HA ASP 8 HA ASP 8 1.309 -5.490 -8.765 59 HB2 ASP 8 HB2 ASP 8 1.977 -6.113 -6.455 60 HB3 ASP 8 HB1 ASP 8 0.279 -6.297 -6.025 61 H GLU 9 HN GLU 9 -0.051 -7.109 -9.693 62 HA GLU 9 HA GLU 9 -2.596 -6.256 -10.383 63 HB2 GLU 9 HB2 GLU 9 -2.941 -8.475 -11.334 64 HB3 GLU 9 HB1 GLU 9 -1.369 -7.810 -11.755 65 HG2 GLU 9 HG2 GLU 9 -0.277 -9.218 -10.179 66 HG3 GLU 9 HG1 GLU 9 -1.823 -9.760 -9.525 67 H ARG 10 HN ARG 10 -1.609 -8.335 -7.677 68 HA ARG 10 HA ARG 10 -4.233 -9.244 -7.053 69 HB2 ARG 10 HB2 ARG 10 -1.767 -8.972 -5.342 70 HB3 ARG 10 HB1 ARG 10 -3.272 -9.702 -4.799 71 HG2 ARG 10 HG2 ARG 10 -3.052 -11.415 -6.532 72 HG3 ARG 10 HG1 ARG 10 -1.523 -10.688 -7.042 73 HD2 ARG 10 HD2 ARG 10 -1.221 -12.625 -5.533 74 HD3 ARG 10 HD1 ARG 10 -0.547 -11.129 -4.880 75 HE ARG 10 HE ARG 10 -2.808 -11.010 -3.682 76 HH11 ARG 10 HH11 ARG 10 -1.052 -14.044 -4.277 77 HH12 ARG 10 HH12 ARG 10 -1.647 -14.810 -2.884 78 HH21 ARG 10 HH21 ARG 10 -3.665 -12.071 -1.856 79 HH22 ARG 10 HH22 ARG 10 -3.183 -13.639 -1.429 80 H ALA 11 HN ALA 11 -2.222 -6.588 -6.027 81 HA ALA 11 HA ALA 11 -4.008 -5.519 -4.144 82 HB1 ALA 11 HB1 ALA 11 -1.889 -4.103 -5.767 83 HB2 ALA 11 HB2 ALA 11 -1.635 -4.897 -4.211 84 HB3 ALA 11 HB3 ALA 11 -2.672 -3.475 -4.318 85 H LEU 12 HN LEU 12 -3.708 -5.229 -7.623 86 HA LEU 12 HA LEU 12 -5.497 -3.047 -7.898 87 HB2 LEU 12 HB2 LEU 12 -4.481 -5.120 -9.800 88 HB3 LEU 12 HB1 LEU 12 -5.663 -3.927 -10.279 89 HG LEU 12 HG LEU 12 -2.907 -3.264 -9.237 90 HD11 LEU 12 HD11 LEU 12 -3.993 -3.280 -12.049 91 HD12 LEU 12 HD12 LEU 12 -2.825 -4.425 -11.390 92 HD13 LEU 12 HD13 LEU 12 -2.395 -2.722 -11.553 93 HD21 LEU 12 HD21 LEU 12 -3.435 -1.018 -10.095 94 HD22 LEU 12 HD22 LEU 12 -4.569 -1.499 -8.836 95 HD23 LEU 12 HD23 LEU 12 -5.053 -1.566 -10.525 96 H LYS 13 HN LYS 13 -5.811 -6.512 -7.969 97 HA LYS 13 HA LYS 13 -8.506 -6.616 -8.714 98 HB2 LYS 13 HB2 LYS 13 -6.817 -8.488 -7.062 99 HB3 LYS 13 HB1 LYS 13 -8.461 -8.864 -7.561 100 HG2 LYS 13 HG2 LYS 13 -7.844 -8.879 -9.857 101 HG3 LYS 13 HG1 LYS 13 -6.261 -8.189 -9.491 102 HD2 LYS 13 HD2 LYS 13 -5.575 -10.117 -8.388 103 HD3 LYS 13 HD1 LYS 13 -7.183 -10.863 -8.453 104 HE2 LYS 13 HE2 LYS 13 -5.823 -11.897 -10.158 105 HE3 LYS 13 HE1 LYS 13 -6.968 -10.835 -10.957 106 HZ1 LYS 13 HZ1 LYS 13 -4.069 -10.328 -10.511 107 HZ2 LYS 13 HZ2 LYS 13 -5.150 -9.145 -11.049 108 HZ3 LYS 13 HZ3 LYS 13 -4.873 -10.494 -11.976 109 H GLU 14 HN GLU 14 -6.957 -6.471 -5.526 110 HA GLU 14 HA GLU 14 -9.420 -6.397 -4.151 111 HB2 GLU 14 HB2 GLU 14 -6.691 -5.537 -3.164 112 HB3 GLU 14 HB1 GLU 14 -8.105 -5.816 -2.151 113 HG2 GLU 14 HG2 GLU 14 -8.123 -8.183 -3.059 114 HG3 GLU 14 HG1 GLU 14 -6.544 -7.832 -3.740 115 H TRP 15 HN TRP 15 -7.305 -3.893 -5.352 116 HA TRP 15 HA TRP 15 -8.545 -1.617 -4.248 117 HB2 TRP 15 HB2 TRP 15 -6.332 -1.667 -5.369 118 HB3 TRP 15 HB1 TRP 15 -7.118 -2.005 -6.897 119 HD1 TRP 15 HD1 TRP 15 -8.156 0.061 -8.200 120 HE1 TRP 15 HE1 TRP 15 -7.848 2.598 -7.937 121 HE3 TRP 15 HE3 TRP 15 -5.989 0.120 -3.580 122 HZ2 TRP 15 HZ2 TRP 15 -6.791 4.389 -6.021 123 HZ3 TRP 15 HZ3 TRP 15 -5.346 2.283 -2.607 124 HH2 TRP 15 HH2 TRP 15 -5.737 4.366 -3.796 125 H ARG 16 HN ARG 16 -9.177 -3.376 -7.257 126 HA ARG 16 HA ARG 16 -11.350 -1.683 -8.030 127 HB2 ARG 16 HB2 ARG 16 -10.590 -4.424 -9.032 128 HB3 ARG 16 HB1 ARG 16 -11.783 -3.369 -9.775 129 HG2 ARG 16 HG2 ARG 16 -10.098 -1.731 -10.270 130 HG3 ARG 16 HG1 ARG 16 -8.877 -2.686 -9.422 131 HD2 ARG 16 HD2 ARG 16 -9.339 -4.526 -11.028 132 HD3 ARG 16 HD1 ARG 16 -10.352 -3.400 -11.939 133 HE ARG 16 HE ARG 16 -8.079 -2.051 -11.775 134 HH11 ARG 16 HH11 ARG 16 -8.762 -5.389 -12.739 135 HH12 ARG 16 HH12 ARG 16 -7.346 -5.547 -13.680 136 HH21 ARG 16 HH21 ARG 16 -6.143 -2.270 -13.113 137 HH22 ARG 16 HH22 ARG 16 -5.830 -3.758 -13.880 138 H LYS 17 HN LYS 17 -11.029 -4.438 -6.040 139 HA LYS 17 HA LYS 17 -13.740 -5.315 -5.888 140 HB2 LYS 17 HB2 LYS 17 -11.783 -6.588 -5.071 141 HB3 LYS 17 HB1 LYS 17 -11.504 -5.361 -3.858 142 HG2 LYS 17 HG2 LYS 17 -13.757 -5.927 -2.921 143 HG3 LYS 17 HG1 LYS 17 -13.776 -7.310 -4.022 144 HD2 LYS 17 HD2 LYS 17 -11.572 -8.005 -3.062 145 HD3 LYS 17 HD1 LYS 17 -11.757 -6.724 -1.866 146 HE2 LYS 17 HE2 LYS 17 -12.478 -8.796 -0.892 147 HE3 LYS 17 HE1 LYS 17 -13.883 -7.759 -1.167 148 HZ1 LYS 17 HZ1 LYS 17 -14.464 -9.022 -3.090 149 HZ2 LYS 17 HZ2 LYS 17 -14.190 -10.121 -1.850 150 HZ3 LYS 17 HZ3 LYS 17 -13.025 -9.882 -3.035 151 H LEU 18 HN LEU 18 -11.727 -3.108 -4.069 152 HA LEU 18 HA LEU 18 -13.501 -2.184 -2.152 153 HB2 LEU 18 HB2 LEU 18 -10.960 -1.279 -3.306 154 HB3 LEU 18 HB1 LEU 18 -11.936 -0.029 -2.577 155 HG LEU 18 HG LEU 18 -11.880 -1.131 -0.457 156 HD11 LEU 18 HD11 LEU 18 -10.288 -3.308 -1.795 157 HD12 LEU 18 HD12 LEU 18 -11.941 -3.429 -1.182 158 HD13 LEU 18 HD13 LEU 18 -10.603 -3.169 -0.058 159 HD21 LEU 18 HD21 LEU 18 -9.498 -0.981 0.015 160 HD22 LEU 18 HD22 LEU 18 -10.087 0.340 -0.994 161 HD23 LEU 18 HD23 LEU 18 -9.165 -0.983 -1.721 162 H GLY 19 HN GLY 19 -14.611 -0.362 -1.949 163 HA2 GLY 19 HA2 GLY 19 -16.074 0.506 -4.277 164 HA3 GLY 19 HA1 GLY 19 -16.293 1.100 -2.629 165 H SER 20 HN SER 20 -16.165 2.683 -5.041 166 HA SER 20 HA SER 20 -13.693 3.723 -5.666 167 HB2 SER 20 HB2 SER 20 -15.745 4.167 -6.974 168 HB3 SER 20 HB1 SER 20 -16.331 5.218 -5.689 169 HG SER 20 HG SER 20 -14.682 6.684 -6.136 170 H THR 21 HN THR 21 -15.992 4.970 -3.330 171 HA THR 21 HA THR 21 -14.591 7.226 -2.502 172 HB THR 21 HB THR 21 -16.432 5.541 -0.794 173 HG1 THR 21 HG1 THR 21 -17.012 7.529 -2.769 174 HG21 THR 21 HG21 THR 21 -17.036 7.718 0.214 175 HG22 THR 21 HG22 THR 21 -15.856 8.524 -0.826 176 HG23 THR 21 HG23 THR 21 -15.315 7.387 0.404 177 H VAL 22 HN VAL 22 -14.357 3.871 -1.394 178 HA VAL 22 HA VAL 22 -12.777 4.459 0.914 179 HB VAL 22 HB VAL 22 -13.220 1.849 -0.573 180 HG11 VAL 22 HG11 VAL 22 -12.092 2.316 2.180 181 HG12 VAL 22 HG12 VAL 22 -11.191 1.768 0.767 182 HG13 VAL 22 HG13 VAL 22 -12.449 0.745 1.464 183 HG21 VAL 22 HG21 VAL 22 -14.816 1.342 1.227 184 HG22 VAL 22 HG22 VAL 22 -15.290 2.772 0.307 185 HG23 VAL 22 HG23 VAL 22 -14.556 2.951 1.899 186 H ARG 23 HN ARG 23 -12.122 3.158 -2.301 187 HA ARG 23 HA ARG 23 -9.343 3.046 -1.838 188 HB2 ARG 23 HB2 ARG 23 -9.092 2.662 -4.271 189 HB3 ARG 23 HB1 ARG 23 -10.226 1.582 -3.471 190 HG2 ARG 23 HG2 ARG 23 -12.041 2.541 -4.415 191 HG3 ARG 23 HG1 ARG 23 -11.242 4.020 -4.905 192 HD2 ARG 23 HD2 ARG 23 -9.856 2.684 -6.427 193 HD3 ARG 23 HD1 ARG 23 -10.731 1.227 -5.948 194 HE ARG 23 HE ARG 23 -11.921 3.527 -7.348 195 HH11 ARG 23 HH11 ARG 23 -11.821 0.033 -6.684 196 HH12 ARG 23 HH12 ARG 23 -13.002 -0.322 -7.862 197 HH21 ARG 23 HH21 ARG 23 -13.506 2.990 -8.924 198 HH22 ARG 23 HH22 ARG 23 -13.976 1.365 -9.173 199 H GLU 24 HN GLU 24 -11.401 5.523 -3.161 200 HA GLU 24 HA GLU 24 -9.486 7.227 -4.218 201 HB2 GLU 24 HB2 GLU 24 -12.146 7.645 -2.973 202 HB3 GLU 24 HB1 GLU 24 -11.221 9.050 -3.438 203 HG2 GLU 24 HG2 GLU 24 -11.118 8.069 -5.761 204 HG3 GLU 24 HG1 GLU 24 -12.190 6.792 -5.194 205 H GLN 25 HN GLN 25 -10.678 7.004 -0.900 206 HA GLN 25 HA GLN 25 -9.080 9.119 0.072 207 HB2 GLN 25 HB2 GLN 25 -10.432 6.807 1.421 208 HB3 GLN 25 HB1 GLN 25 -9.579 8.054 2.322 209 HG2 GLN 25 HG2 GLN 25 -11.080 9.733 1.586 210 HG3 GLN 25 HG1 GLN 25 -11.795 8.653 0.391 211 HE21 GLN 25 HE21 GLN 25 -13.170 7.138 1.022 212 HE22 GLN 25 HE22 GLN 25 -13.974 7.121 2.566 213 H LEU 26 HN LEU 26 -8.553 5.687 -0.280 214 HA LEU 26 HA LEU 26 -6.068 5.590 1.066 215 HB2 LEU 26 HB2 LEU 26 -7.174 3.865 -1.127 216 HB3 LEU 26 HB1 LEU 26 -5.711 3.501 -0.242 217 HG LEU 26 HG LEU 26 -8.497 3.634 0.940 218 HD11 LEU 26 HD11 LEU 26 -8.161 1.699 -0.486 219 HD12 LEU 26 HD12 LEU 26 -8.265 1.239 1.212 220 HD13 LEU 26 HD13 LEU 26 -6.699 1.289 0.407 221 HD21 LEU 26 HD21 LEU 26 -7.437 2.706 2.959 222 HD22 LEU 26 HD22 LEU 26 -6.841 4.319 2.583 223 HD23 LEU 26 HD23 LEU 26 -5.853 2.904 2.208 224 H LYS 27 HN LYS 27 -6.924 6.049 -2.343 225 HA LYS 27 HA LYS 27 -4.350 6.235 -3.415 226 HB2 LYS 27 HB2 LYS 27 -6.397 6.170 -4.789 227 HB3 LYS 27 HB1 LYS 27 -6.796 7.790 -4.240 228 HG2 LYS 27 HG2 LYS 27 -4.615 8.548 -5.207 229 HG3 LYS 27 HG1 LYS 27 -4.456 6.956 -5.951 230 HD2 LYS 27 HD2 LYS 27 -5.354 8.429 -7.596 231 HD3 LYS 27 HD1 LYS 27 -6.680 7.390 -7.057 232 HE2 LYS 27 HE2 LYS 27 -7.485 9.172 -5.584 233 HE3 LYS 27 HE1 LYS 27 -6.133 10.191 -6.066 234 HZ1 LYS 27 HZ1 LYS 27 -7.005 10.184 -8.336 235 HZ2 LYS 27 HZ2 LYS 27 -8.178 10.761 -7.272 236 HZ3 LYS 27 HZ3 LYS 27 -8.276 9.191 -7.867 237 H LYS 28 HN LYS 28 -6.423 8.734 -2.047 238 HA LYS 28 HA LYS 28 -4.678 10.896 -2.469 239 HB2 LYS 28 HB2 LYS 28 -6.768 10.561 -0.320 240 HB3 LYS 28 HB1 LYS 28 -5.970 12.076 -0.721 241 HG2 LYS 28 HG2 LYS 28 -6.885 11.877 -3.015 242 HG3 LYS 28 HG1 LYS 28 -7.787 10.461 -2.477 243 HD2 LYS 28 HD2 LYS 28 -8.925 11.811 -0.805 244 HD3 LYS 28 HD1 LYS 28 -8.017 13.234 -1.324 245 HE2 LYS 28 HE2 LYS 28 -8.973 12.821 -3.632 246 HE3 LYS 28 HE1 LYS 28 -10.030 11.641 -2.869 247 HZ1 LYS 28 HZ1 LYS 28 -10.938 13.387 -1.469 248 HZ2 LYS 28 HZ2 LYS 28 -11.103 13.794 -3.090 249 HZ3 LYS 28 HZ3 LYS 28 -9.895 14.513 -2.162 250 H LYS 29 HN LYS 29 -4.945 8.587 0.093 251 HA LYS 29 HA LYS 29 -3.053 9.790 1.777 252 HB2 LYS 29 HB2 LYS 29 -4.496 7.285 1.741 253 HB3 LYS 29 HB1 LYS 29 -2.848 7.098 2.323 254 HG2 LYS 29 HG2 LYS 29 -4.386 7.500 4.162 255 HG3 LYS 29 HG1 LYS 29 -3.242 8.831 3.994 256 HD2 LYS 29 HD2 LYS 29 -4.985 10.100 2.778 257 HD3 LYS 29 HD1 LYS 29 -6.112 8.774 3.080 258 HE2 LYS 29 HE2 LYS 29 -6.451 10.467 4.769 259 HE3 LYS 29 HE1 LYS 29 -5.702 9.019 5.462 260 HZ1 LYS 29 HZ1 LYS 29 -4.107 11.381 4.644 261 HZ2 LYS 29 HZ2 LYS 29 -3.621 10.087 5.629 262 HZ3 LYS 29 HZ3 LYS 29 -4.745 11.204 6.188 263 H LEU 30 HN LEU 30 -2.706 7.423 -0.775 264 HA LEU 30 HA LEU 30 0.012 6.967 -0.503 265 HB2 LEU 30 HB2 LEU 30 -1.653 7.085 -3.010 266 HB3 LEU 30 HB1 LEU 30 -0.082 6.322 -2.864 267 HG LEU 30 HG LEU 30 -2.592 5.457 -1.435 268 HD11 LEU 30 HD11 LEU 30 -2.685 4.997 -3.819 269 HD12 LEU 30 HD12 LEU 30 -2.535 3.514 -2.882 270 HD13 LEU 30 HD13 LEU 30 -1.136 4.164 -3.730 271 HD21 LEU 30 HD21 LEU 30 0.175 4.263 -1.478 272 HD22 LEU 30 HD22 LEU 30 -1.256 3.499 -0.786 273 HD23 LEU 30 HD23 LEU 30 -0.647 5.007 -0.101 274 H VAL 31 HN VAL 31 -1.784 9.409 -2.272 275 HA VAL 31 HA VAL 31 0.387 10.658 -3.526 276 HB VAL 31 HB VAL 31 -2.324 11.813 -2.762 277 HG11 VAL 31 HG11 VAL 31 -0.714 13.605 -3.173 278 HG12 VAL 31 HG12 VAL 31 -1.912 13.507 -4.464 279 HG13 VAL 31 HG13 VAL 31 -0.284 12.871 -4.719 280 HG21 VAL 31 HG21 VAL 31 -1.315 10.630 -5.342 281 HG22 VAL 31 HG22 VAL 31 -2.914 11.338 -5.058 282 HG23 VAL 31 HG23 VAL 31 -2.429 9.881 -4.194 283 H GLU 32 HN GLU 32 -1.185 11.442 -0.415 284 HA GLU 32 HA GLU 32 0.587 13.599 0.077 285 HB2 GLU 32 HB2 GLU 32 -0.303 13.641 2.394 286 HB3 GLU 32 HB1 GLU 32 -1.569 13.601 1.181 287 HG2 GLU 32 HG2 GLU 32 -1.880 11.245 1.559 288 HG3 GLU 32 HG1 GLU 32 -0.611 11.244 2.777 289 H VAL 33 HN VAL 33 0.664 10.210 1.015 290 HA VAL 33 HA VAL 33 2.696 10.474 2.903 291 HB VAL 33 HB VAL 33 1.071 8.507 2.579 292 HG11 VAL 33 HG11 VAL 33 1.901 6.556 1.391 293 HG12 VAL 33 HG12 VAL 33 3.253 7.509 0.787 294 HG13 VAL 33 HG13 VAL 33 1.608 7.923 0.309 295 HG21 VAL 33 HG21 VAL 33 3.945 8.058 3.308 296 HG22 VAL 33 HG22 VAL 33 2.642 6.936 3.689 297 HG23 VAL 33 HG23 VAL 33 2.640 8.560 4.380 298 H LEU 34 HN LEU 34 2.851 10.221 -0.525 299 HA LEU 34 HA LEU 34 5.362 9.179 -1.022 300 HB2 LEU 34 HB2 LEU 34 3.956 11.394 -2.457 301 HB3 LEU 34 HB1 LEU 34 5.377 10.582 -3.070 302 HG LEU 34 HG LEU 34 2.701 9.310 -2.555 303 HD11 LEU 34 HD11 LEU 34 4.085 10.062 -5.121 304 HD12 LEU 34 HD12 LEU 34 2.687 10.873 -4.419 305 HD13 LEU 34 HD13 LEU 34 2.549 9.209 -4.983 306 HD21 LEU 34 HD21 LEU 34 4.594 7.753 -2.239 307 HD22 LEU 34 HD22 LEU 34 5.186 8.180 -3.848 308 HD23 LEU 34 HD23 LEU 34 3.639 7.361 -3.663 309 H GLU 35 HN GLU 35 4.688 12.360 0.306 310 HA GLU 35 HA GLU 35 7.189 13.504 -0.444 311 HB2 GLU 35 HB2 GLU 35 6.753 15.200 1.283 312 HB3 GLU 35 HB1 GLU 35 5.355 14.943 0.252 313 HG2 GLU 35 HG2 GLU 35 4.379 13.511 2.009 314 HG3 GLU 35 HG1 GLU 35 5.762 13.879 3.035 315 H SER 36 HN SER 36 6.228 11.392 2.119 316 HA SER 36 HA SER 36 8.924 10.778 2.825 317 HB2 SER 36 HB2 SER 36 7.089 11.999 4.923 318 HB3 SER 36 HB1 SER 36 8.651 11.249 5.242 319 HG SER 36 HG SER 36 8.776 13.150 3.321 320 HA PRO 37 HA PRO 37 5.754 7.464 3.114 321 HB2 PRO 37 HB2 PRO 37 6.959 5.640 1.533 322 HB3 PRO 37 HB1 PRO 37 5.959 6.935 0.875 323 HG2 PRO 37 HG2 PRO 37 8.936 6.761 1.056 324 HG3 PRO 37 HG1 PRO 37 7.928 7.345 -0.281 325 HD2 PRO 37 HD2 PRO 37 9.181 9.010 1.491 326 HD3 PRO 37 HD1 PRO 37 7.661 9.422 0.666 327 H ARG 38 HN ARG 38 9.148 7.555 3.496 328 HA ARG 38 HA ARG 38 9.253 5.131 5.002 329 HB2 ARG 38 HB2 ARG 38 11.706 6.001 5.490 330 HB3 ARG 38 HB1 ARG 38 11.272 5.279 3.954 331 HG2 ARG 38 HG2 ARG 38 12.661 7.242 3.612 332 HG3 ARG 38 HG1 ARG 38 11.054 7.515 2.968 333 HD2 ARG 38 HD2 ARG 38 10.474 8.816 4.941 334 HD3 ARG 38 HD1 ARG 38 12.072 8.525 5.621 335 HE ARG 38 HE ARG 38 12.445 9.606 3.121 336 HH11 ARG 38 HH11 ARG 38 10.980 10.686 6.172 337 HH12 ARG 38 HH12 ARG 38 11.314 12.322 5.915 338 HH21 ARG 38 HH21 ARG 38 12.882 11.861 2.760 339 HH22 ARG 38 HH22 ARG 38 12.423 13.019 3.925 340 H ILE 39 HN ILE 39 7.534 6.019 6.278 341 HA ILE 39 HA ILE 39 8.490 7.469 8.632 342 HB ILE 39 HB ILE 39 5.711 6.907 7.587 343 HG12 ILE 39 HG12 ILE 39 7.152 9.477 8.203 344 HG13 ILE 39 HG11 ILE 39 6.948 8.791 6.594 345 HG21 ILE 39 HG21 ILE 39 4.819 8.114 9.527 346 HG22 ILE 39 HG22 ILE 39 6.439 8.100 10.250 347 HG23 ILE 39 HG23 ILE 39 5.583 6.589 9.966 348 HD11 ILE 39 HD11 ILE 39 4.746 9.761 8.404 349 HD12 ILE 39 HD12 ILE 39 4.525 9.067 6.798 350 HD13 ILE 39 HD13 ILE 39 5.381 10.600 6.988 351 H GLU 40 HN GLU 40 8.957 6.409 10.366 352 HA GLU 40 HA GLU 40 8.916 3.659 10.688 353 HB2 GLU 40 HB2 GLU 40 9.509 4.038 13.034 354 HB3 GLU 40 HB1 GLU 40 10.429 5.065 11.958 355 HG2 GLU 40 HG2 GLU 40 8.035 5.961 13.539 356 HG3 GLU 40 HG1 GLU 40 9.704 6.169 14.076 357 H ALA 41 HN ALA 41 6.559 6.002 11.639 358 HA ALA 41 HA ALA 41 4.962 4.263 13.263 359 HB1 ALA 41 HB1 ALA 41 4.903 6.702 13.524 360 HB2 ALA 41 HB2 ALA 41 3.292 6.046 13.214 361 HB3 ALA 41 HB3 ALA 41 4.184 6.845 11.918 362 H ASN 42 HN ASN 42 5.312 4.585 9.912 363 HA ASN 42 HA ASN 42 2.690 3.354 9.439 364 HB2 ASN 42 HB2 ASN 42 4.587 4.681 7.478 365 HB3 ASN 42 HB1 ASN 42 3.115 3.840 7.022 366 HD21 ASN 42 HD21 ASN 42 3.894 6.587 6.579 367 HD22 ASN 42 HD22 ASN 42 2.671 7.565 7.289 368 H LYS 43 HN LYS 43 5.862 2.509 9.981 369 HA LYS 43 HA LYS 43 6.084 0.672 7.836 370 HB2 LYS 43 HB2 LYS 43 8.011 1.813 8.193 371 HB3 LYS 43 HB1 LYS 43 7.838 1.799 9.937 372 HG2 LYS 43 HG2 LYS 43 8.555 -0.333 10.112 373 HG3 LYS 43 HG1 LYS 43 8.374 -0.677 8.381 374 HD2 LYS 43 HD2 LYS 43 10.251 1.436 9.414 375 HD3 LYS 43 HD1 LYS 43 10.774 -0.252 9.256 376 HE2 LYS 43 HE2 LYS 43 10.269 -0.206 6.888 377 HE3 LYS 43 HE1 LYS 43 9.641 1.430 7.015 378 HZ1 LYS 43 HZ1 LYS 43 11.821 2.246 7.463 379 HZ2 LYS 43 HZ2 LYS 43 11.910 1.241 6.106 380 HZ3 LYS 43 HZ3 LYS 43 12.446 0.682 7.597 381 H LEU 44 HN LEU 44 6.049 -1.416 7.931 382 HA LEU 44 HA LEU 44 4.870 -2.753 10.228 383 HB2 LEU 44 HB2 LEU 44 5.747 -3.805 7.546 384 HB3 LEU 44 HB1 LEU 44 4.876 -4.723 8.755 385 HG LEU 44 HG LEU 44 3.817 -2.349 7.216 386 HD11 LEU 44 HD11 LEU 44 2.371 -4.018 6.175 387 HD12 LEU 44 HD12 LEU 44 3.198 -5.292 7.071 388 HD13 LEU 44 HD13 LEU 44 4.071 -4.356 5.860 389 HD21 LEU 44 HD21 LEU 44 2.451 -4.194 9.158 390 HD22 LEU 44 HD22 LEU 44 1.699 -2.899 8.225 391 HD23 LEU 44 HD23 LEU 44 2.894 -2.515 9.475 392 H ARG 45 HN ARG 45 6.018 -3.887 11.628 393 HA ARG 45 HA ARG 45 8.870 -3.878 11.526 394 HB2 ARG 45 HB2 ARG 45 7.628 -3.687 13.636 395 HB3 ARG 45 HB1 ARG 45 6.969 -5.297 13.379 396 HG2 ARG 45 HG2 ARG 45 9.413 -6.065 13.328 397 HG3 ARG 45 HG1 ARG 45 9.769 -4.495 14.054 398 HD2 ARG 45 HD2 ARG 45 9.499 -6.195 15.768 399 HD3 ARG 45 HD1 ARG 45 8.199 -5.007 15.873 400 HE ARG 45 HE ARG 45 6.914 -6.712 14.478 401 HH11 ARG 45 HH11 ARG 45 9.207 -7.543 17.031 402 HH12 ARG 45 HH12 ARG 45 8.603 -9.109 17.271 403 HH21 ARG 45 HH21 ARG 45 6.088 -8.842 14.767 404 HH22 ARG 45 HH22 ARG 45 6.763 -9.883 15.936 405 H GLY 46 HN GLY 46 9.941 -5.270 10.291 406 HA2 GLY 46 HA2 GLY 46 10.785 -7.510 10.150 407 HA3 GLY 46 HA1 GLY 46 9.150 -8.096 10.413 408 H MET 47 HN MET 47 8.555 -5.737 8.411 409 HA MET 47 HA MET 47 8.759 -7.516 6.085 410 HB2 MET 47 HB2 MET 47 6.981 -5.135 6.584 411 HB3 MET 47 HB1 MET 47 6.987 -6.066 5.103 412 HG2 MET 47 HG2 MET 47 6.262 -7.139 7.826 413 HG3 MET 47 HG1 MET 47 5.116 -6.679 6.572 414 HE1 MET 47 HE1 MET 47 4.771 -7.994 4.298 415 HE2 MET 47 HE2 MET 47 5.762 -9.359 3.790 416 HE3 MET 47 HE3 MET 47 6.473 -7.751 3.904 417 HA PRO 48 HA PRO 48 11.933 -4.913 4.427 418 HB2 PRO 48 HB2 PRO 48 11.561 -5.405 1.748 419 HB3 PRO 48 HB1 PRO 48 12.407 -6.496 2.849 420 HG2 PRO 48 HG2 PRO 48 9.577 -6.604 1.887 421 HG3 PRO 48 HG1 PRO 48 10.742 -7.927 2.079 422 HD2 PRO 48 HD2 PRO 48 8.802 -7.484 3.879 423 HD3 PRO 48 HD1 PRO 48 10.412 -8.043 4.375 424 H ASP 49 HN ASP 49 11.199 -2.944 4.960 425 HA ASP 49 HA ASP 49 10.232 -0.906 4.872 426 HB2 ASP 49 HB2 ASP 49 11.301 -1.205 2.084 427 HB3 ASP 49 HB1 ASP 49 10.548 0.289 2.628 428 H CYS 50 HN CYS 50 8.272 -2.621 4.944 429 HA CYS 50 HA CYS 50 6.401 -1.682 2.924 430 HB2 CYS 50 HB2 CYS 50 6.080 -3.868 4.982 431 HB3 CYS 50 HB1 CYS 50 4.960 -3.491 3.674 432 HG CYS 50 HG CYS 50 8.047 -4.088 2.607 433 H TYR 51 HN TYR 51 4.612 -0.586 3.500 434 HA TYR 51 HA TYR 51 4.463 0.369 6.259 435 HB2 TYR 51 HB2 TYR 51 4.307 2.073 3.755 436 HB3 TYR 51 HB1 TYR 51 4.058 2.642 5.399 437 HD1 TYR 51 HD1 TYR 51 6.546 1.442 2.985 438 HD2 TYR 51 HD2 TYR 51 5.967 3.081 6.855 439 HE1 TYR 51 HE1 TYR 51 8.949 1.894 3.157 440 HE2 TYR 51 HE2 TYR 51 8.360 3.538 7.016 441 HH TYR 51 HH TYR 51 10.483 3.280 4.348 442 H LYS 52 HN LYS 52 2.429 0.881 6.926 443 HA LYS 52 HA LYS 52 0.276 0.061 5.109 444 HB2 LYS 52 HB2 LYS 52 -1.003 -0.862 6.882 445 HB3 LYS 52 HB1 LYS 52 0.615 -1.486 7.098 446 HG2 LYS 52 HG2 LYS 52 -0.576 0.805 8.696 447 HG3 LYS 52 HG1 LYS 52 -0.540 -0.872 9.229 448 HD2 LYS 52 HD2 LYS 52 1.935 -0.795 9.131 449 HD3 LYS 52 HD1 LYS 52 1.837 0.900 8.674 450 HE2 LYS 52 HE2 LYS 52 0.771 -0.237 11.269 451 HE3 LYS 52 HE1 LYS 52 2.340 0.534 11.059 452 HZ1 LYS 52 HZ1 LYS 52 0.652 2.044 11.971 453 HZ2 LYS 52 HZ2 LYS 52 -0.280 1.889 10.607 454 HZ3 LYS 52 HZ3 LYS 52 1.228 2.615 10.517 455 H ILE 53 HN ILE 53 -1.407 1.330 4.903 456 HA ILE 53 HA ILE 53 -1.595 3.686 6.647 457 HB ILE 53 HB ILE 53 -2.466 3.502 3.731 458 HG12 ILE 53 HG12 ILE 53 -0.216 5.091 5.000 459 HG13 ILE 53 HG11 ILE 53 -0.018 3.676 3.978 460 HG21 ILE 53 HG21 ILE 53 -3.009 5.905 3.951 461 HG22 ILE 53 HG22 ILE 53 -2.595 5.847 5.655 462 HG23 ILE 53 HG23 ILE 53 -3.969 4.932 5.055 463 HD11 ILE 53 HD11 ILE 53 0.446 5.699 2.743 464 HD12 ILE 53 HD12 ILE 53 -1.137 6.345 3.163 465 HD13 ILE 53 HD13 ILE 53 -1.015 4.936 2.106 466 H LYS 54 HN LYS 54 -3.584 4.046 7.499 467 HA LYS 54 HA LYS 54 -5.590 2.092 6.794 468 HB2 LYS 54 HB2 LYS 54 -6.366 1.846 9.065 469 HB3 LYS 54 HB1 LYS 54 -4.658 1.489 8.998 470 HG2 LYS 54 HG2 LYS 54 -5.879 4.050 10.008 471 HG3 LYS 54 HG1 LYS 54 -5.321 2.712 11.010 472 HD2 LYS 54 HD2 LYS 54 -3.026 3.071 10.089 473 HD3 LYS 54 HD1 LYS 54 -3.657 4.475 9.225 474 HE2 LYS 54 HE2 LYS 54 -4.379 5.442 11.209 475 HE3 LYS 54 HE1 LYS 54 -3.764 4.073 12.155 476 HZ1 LYS 54 HZ1 LYS 54 -1.503 4.638 11.242 477 HZ2 LYS 54 HZ2 LYS 54 -2.130 5.808 12.249 478 HZ3 LYS 54 HZ3 LYS 54 -2.160 6.059 10.596 479 H LEU 55 HN LEU 55 -7.517 2.738 6.416 480 HA LEU 55 HA LEU 55 -7.984 5.597 6.186 481 HB2 LEU 55 HB2 LEU 55 -8.625 3.569 4.577 482 HB3 LEU 55 HB1 LEU 55 -10.030 3.482 5.608 483 HG LEU 55 HG LEU 55 -9.224 5.866 3.941 484 HD11 LEU 55 HD11 LEU 55 -11.376 3.817 3.563 485 HD12 LEU 55 HD12 LEU 55 -9.928 4.024 2.576 486 HD13 LEU 55 HD13 LEU 55 -11.176 5.271 2.596 487 HD21 LEU 55 HD21 LEU 55 -11.748 5.372 5.516 488 HD22 LEU 55 HD22 LEU 55 -11.417 6.748 4.456 489 HD23 LEU 55 HD23 LEU 55 -10.472 6.520 5.935 490 H ARG 56 HN ARG 56 -8.899 6.680 7.807 491 HA ARG 56 HA ARG 56 -9.238 5.614 10.313 492 HB2 ARG 56 HB2 ARG 56 -8.756 7.967 9.855 493 HB3 ARG 56 HB1 ARG 56 -10.396 8.192 9.277 494 HG2 ARG 56 HG2 ARG 56 -10.200 9.072 11.508 495 HG3 ARG 56 HG1 ARG 56 -11.237 7.647 11.529 496 HD2 ARG 56 HD2 ARG 56 -9.668 7.676 13.420 497 HD3 ARG 56 HD1 ARG 56 -9.392 6.289 12.367 498 HE ARG 56 HE ARG 56 -7.703 8.251 11.449 499 HH11 ARG 56 HH11 ARG 56 -8.122 6.638 14.594 500 HH12 ARG 56 HH12 ARG 56 -6.489 6.739 15.005 501 HH21 ARG 56 HH21 ARG 56 -5.506 8.386 12.012 502 HH22 ARG 56 HH22 ARG 56 -4.931 7.809 13.508 503 H SER 57 HN SER 57 -11.956 6.715 8.244 504 HA SER 57 HA SER 57 -13.812 5.684 10.152 505 HB2 SER 57 HB2 SER 57 -14.364 7.650 8.758 506 HB3 SER 57 HB1 SER 57 -14.354 6.617 7.330 507 HG SER 57 HG SER 57 -16.255 7.004 9.198 508 H SER 58 HN SER 58 -12.982 4.659 6.833 509 HA SER 58 HA SER 58 -14.765 2.539 6.725 510 HB2 SER 58 HB2 SER 58 -12.181 2.801 5.232 511 HB3 SER 58 HB1 SER 58 -13.664 1.996 4.709 512 HG SER 58 HG SER 58 -14.657 3.922 4.492 513 H GLY 59 HN GLY 59 -11.397 2.628 7.927 514 HA2 GLY 59 HA2 GLY 59 -10.387 1.077 9.303 515 HA3 GLY 59 HA1 GLY 59 -11.815 0.061 9.136 516 H TYR 60 HN TYR 60 -10.223 1.268 6.356 517 HA TYR 60 HA TYR 60 -9.449 -1.459 5.663 518 HB2 TYR 60 HB2 TYR 60 -9.822 1.028 4.009 519 HB3 TYR 60 HB1 TYR 60 -8.972 -0.376 3.380 520 HD1 TYR 60 HD2 TYR 60 -12.214 0.507 5.009 521 HD2 TYR 60 HD1 TYR 60 -10.179 -1.963 2.227 522 HE1 TYR 60 HE2 TYR 60 -14.361 -0.458 4.304 523 HE2 TYR 60 HE1 TYR 60 -12.323 -2.938 1.516 524 HH TYR 60 HH TYR 60 -14.544 -3.226 2.302 525 H ARG 61 HN ARG 61 -7.383 -1.904 4.867 526 HA ARG 61 HA ARG 61 -5.323 0.004 5.691 527 HB2 ARG 61 HB2 ARG 61 -5.416 -2.971 6.199 528 HB3 ARG 61 HB1 ARG 61 -3.907 -2.091 6.172 529 HG2 ARG 61 HG2 ARG 61 -4.512 -2.377 8.446 530 HG3 ARG 61 HG1 ARG 61 -4.792 -0.690 8.058 531 HD2 ARG 61 HD2 ARG 61 -7.181 -1.070 7.944 532 HD3 ARG 61 HD1 ARG 61 -6.951 -2.809 8.148 533 HE ARG 61 HE ARG 61 -5.740 -1.382 10.249 534 HH11 ARG 61 HH11 ARG 61 -9.059 -2.243 9.219 535 HH12 ARG 61 HH12 ARG 61 -9.624 -2.435 10.808 536 HH21 ARG 61 HH21 ARG 61 -6.613 -1.599 12.410 537 HH22 ARG 61 HH22 ARG 61 -8.237 -2.024 12.640 538 H LEU 62 HN LEU 62 -3.640 0.182 4.345 539 HA LEU 62 HA LEU 62 -3.579 -1.514 1.946 540 HB2 LEU 62 HB2 LEU 62 -4.514 0.793 1.539 541 HB3 LEU 62 HB1 LEU 62 -3.008 1.460 2.118 542 HG LEU 62 HG LEU 62 -3.128 -0.308 -0.337 543 HD11 LEU 62 HD11 LEU 62 -3.371 2.690 -0.184 544 HD12 LEU 62 HD12 LEU 62 -4.634 1.556 -0.669 545 HD13 LEU 62 HD13 LEU 62 -3.187 1.731 -1.658 546 HD21 LEU 62 HD21 LEU 62 -1.055 0.883 -0.914 547 HD22 LEU 62 HD22 LEU 62 -0.911 0.037 0.629 548 HD23 LEU 62 HD23 LEU 62 -1.164 1.780 0.606 549 H VAL 63 HN VAL 63 -1.563 -2.386 1.537 550 HA VAL 63 HA VAL 63 0.648 -1.353 3.156 551 HB VAL 63 HB VAL 63 0.114 -4.272 2.483 552 HG11 VAL 63 HG11 VAL 63 2.035 -4.768 3.923 553 HG12 VAL 63 HG12 VAL 63 2.315 -3.052 4.146 554 HG13 VAL 63 HG13 VAL 63 2.518 -3.772 2.544 555 HG21 VAL 63 HG21 VAL 63 -0.013 -2.817 5.125 556 HG22 VAL 63 HG22 VAL 63 -0.161 -4.559 4.916 557 HG23 VAL 63 HG23 VAL 63 -1.384 -3.482 4.232 558 H TYR 64 HN TYR 64 2.279 -0.695 2.031 559 HA TYR 64 HA TYR 64 2.847 -1.810 -0.635 560 HB2 TYR 64 HB2 TYR 64 3.364 0.435 -1.484 561 HB3 TYR 64 HB1 TYR 64 1.695 0.346 -0.950 562 HD1 TYR 64 HD1 TYR 64 5.041 1.688 -0.114 563 HD2 TYR 64 HD2 TYR 64 0.894 1.755 0.795 564 HE1 TYR 64 HE1 TYR 64 5.384 3.681 1.278 565 HE2 TYR 64 HE2 TYR 64 1.223 3.751 2.179 566 HH TYR 64 HH TYR 64 3.064 4.781 3.436 567 H GLN 65 HN GLN 65 5.076 -1.588 -1.228 568 HA GLN 65 HA GLN 65 6.782 -1.026 1.084 569 HB2 GLN 65 HB2 GLN 65 8.512 -2.469 0.094 570 HB3 GLN 65 HB1 GLN 65 7.046 -3.358 0.460 571 HG2 GLN 65 HG2 GLN 65 6.453 -3.488 -1.831 572 HG3 GLN 65 HG1 GLN 65 7.695 -2.320 -2.277 573 HE21 GLN 65 HE21 GLN 65 8.398 -4.769 0.086 574 HE22 GLN 65 HE22 GLN 65 9.419 -5.716 -0.939 575 H VAL 66 HN VAL 66 8.430 0.281 0.871 576 HA VAL 66 HA VAL 66 8.331 2.021 -1.453 577 HB VAL 66 HB VAL 66 9.859 2.273 1.160 578 HG11 VAL 66 HG11 VAL 66 11.103 3.343 -0.648 579 HG12 VAL 66 HG12 VAL 66 10.422 4.540 0.455 580 HG13 VAL 66 HG13 VAL 66 9.663 4.254 -1.114 581 HG21 VAL 66 HG21 VAL 66 7.442 2.577 1.331 582 HG22 VAL 66 HG22 VAL 66 7.514 3.844 0.100 583 HG23 VAL 66 HG23 VAL 66 8.332 4.059 1.646 584 H ILE 67 HN ILE 67 9.497 1.400 -3.152 585 HA ILE 67 HA ILE 67 12.054 0.109 -2.638 586 HB ILE 67 HB ILE 67 10.793 0.626 -5.348 587 HG12 ILE 67 HG12 ILE 67 10.506 -1.896 -3.687 588 HG13 ILE 67 HG11 ILE 67 9.236 -0.704 -3.902 589 HG21 ILE 67 HG21 ILE 67 13.176 0.073 -5.319 590 HG22 ILE 67 HG22 ILE 67 12.249 -1.256 -6.018 591 HG23 ILE 67 HG23 ILE 67 12.845 -1.371 -4.362 592 HD11 ILE 67 HD11 ILE 67 9.229 -1.128 -6.299 593 HD12 ILE 67 HD12 ILE 67 8.906 -2.600 -5.377 594 HD13 ILE 67 HD13 ILE 67 10.499 -2.332 -6.091 595 H ASP 68 HN ASP 68 13.318 1.746 -2.061 596 HA ASP 68 HA ASP 68 13.098 4.375 -3.148 597 HB2 ASP 68 HB2 ASP 68 13.866 4.019 -0.854 598 HB3 ASP 68 HB1 ASP 68 15.273 3.150 -1.448 599 H GLU 69 HN GLU 69 15.061 1.608 -3.778 600 HA GLU 69 HA GLU 69 17.018 2.724 -5.423 601 HB2 GLU 69 HB2 GLU 69 15.716 0.018 -5.609 602 HB3 GLU 69 HB1 GLU 69 17.161 0.492 -6.478 603 HG2 GLU 69 HG2 GLU 69 18.272 0.866 -4.296 604 HG3 GLU 69 HG1 GLU 69 16.831 0.221 -3.503 605 H LYS 70 HN LYS 70 13.715 1.807 -6.114 606 HA LYS 70 HA LYS 70 14.136 2.523 -8.921 607 HB2 LYS 70 HB2 LYS 70 11.922 0.909 -7.647 608 HB3 LYS 70 HB1 LYS 70 12.028 1.280 -9.367 609 HG2 LYS 70 HG2 LYS 70 14.106 0.032 -9.528 610 HG3 LYS 70 HG1 LYS 70 14.079 -0.270 -7.795 611 HD2 LYS 70 HD2 LYS 70 11.960 -1.535 -8.092 612 HD3 LYS 70 HD1 LYS 70 12.089 -1.274 -9.830 613 HE2 LYS 70 HE2 LYS 70 14.178 -2.488 -9.906 614 HE3 LYS 70 HE1 LYS 70 14.183 -2.655 -8.156 615 HZ1 LYS 70 HZ1 LYS 70 12.189 -4.016 -8.334 616 HZ2 LYS 70 HZ2 LYS 70 13.444 -4.677 -9.224 617 HZ3 LYS 70 HZ3 LYS 70 12.198 -3.860 -10.008 618 H VAL 71 HN VAL 71 13.147 3.877 -6.146 619 HA VAL 71 HA VAL 71 12.037 5.738 -5.521 620 HB VAL 71 HB VAL 71 12.059 6.529 -8.472 621 HG11 VAL 71 HG11 VAL 71 10.765 8.052 -7.076 622 HG12 VAL 71 HG12 VAL 71 12.240 8.835 -7.637 623 HG13 VAL 71 HG13 VAL 71 12.135 8.242 -5.982 624 HG21 VAL 71 HG21 VAL 71 14.303 5.811 -7.846 625 HG22 VAL 71 HG22 VAL 71 14.268 6.881 -6.447 626 HG23 VAL 71 HG23 VAL 71 14.256 7.562 -8.073 627 H VAL 72 HN VAL 72 10.477 3.447 -6.032 628 HA VAL 72 HA VAL 72 7.919 4.696 -6.623 629 HB VAL 72 HB VAL 72 8.649 3.603 -8.740 630 HG11 VAL 72 HG11 VAL 72 8.791 1.207 -8.945 631 HG12 VAL 72 HG12 VAL 72 8.670 1.048 -7.186 632 HG13 VAL 72 HG13 VAL 72 10.055 1.880 -7.912 633 HG21 VAL 72 HG21 VAL 72 6.262 3.728 -8.286 634 HG22 VAL 72 HG22 VAL 72 6.334 2.188 -7.430 635 HG23 VAL 72 HG23 VAL 72 6.656 2.248 -9.162 636 H VAL 73 HN VAL 73 6.237 3.908 -5.328 637 HA VAL 73 HA VAL 73 7.080 1.914 -3.463 638 HB VAL 73 HB VAL 73 5.280 2.595 -2.079 639 HG11 VAL 73 HG11 VAL 73 6.702 5.049 -3.073 640 HG12 VAL 73 HG12 VAL 73 7.309 3.891 -1.899 641 HG13 VAL 73 HG13 VAL 73 5.903 4.887 -1.504 642 HG21 VAL 73 HG21 VAL 73 3.556 3.086 -3.647 643 HG22 VAL 73 HG22 VAL 73 4.424 4.507 -4.242 644 HG23 VAL 73 HG23 VAL 73 3.767 4.487 -2.597 645 H PHE 74 HN PHE 74 6.232 0.014 -3.485 646 HA PHE 74 HA PHE 74 4.421 -0.619 -5.693 647 HB2 PHE 74 HB2 PHE 74 6.605 -1.670 -5.803 648 HB3 PHE 74 HB1 PHE 74 6.447 -2.256 -4.160 649 HD1 PHE 74 HD1 PHE 74 4.916 -2.545 -7.532 650 HD2 PHE 74 HD2 PHE 74 5.666 -4.392 -3.782 651 HE1 PHE 74 HE1 PHE 74 4.051 -4.675 -8.406 652 HE2 PHE 74 HE2 PHE 74 4.795 -6.520 -4.647 653 HZ PHE 74 HZ PHE 74 3.993 -6.661 -6.963 654 H VAL 75 HN VAL 75 2.392 -0.697 -4.990 655 HA VAL 75 HA VAL 75 1.715 -1.446 -2.304 656 HB VAL 75 HB VAL 75 -0.109 -1.171 -4.725 657 HG11 VAL 75 HG11 VAL 75 -1.145 -2.466 -2.946 658 HG12 VAL 75 HG12 VAL 75 -1.918 -0.885 -3.072 659 HG13 VAL 75 HG13 VAL 75 -0.762 -1.204 -1.778 660 HG21 VAL 75 HG21 VAL 75 -0.636 1.065 -3.878 661 HG22 VAL 75 HG22 VAL 75 1.078 0.922 -4.271 662 HG23 VAL 75 HG23 VAL 75 0.551 0.866 -2.591 663 H ILE 76 HN ILE 76 1.542 -3.433 -1.602 664 HA ILE 76 HA ILE 76 1.823 -5.578 -3.564 665 HB ILE 76 HB ILE 76 1.992 -5.824 -0.548 666 HG12 ILE 76 HG12 ILE 76 4.280 -5.402 -2.487 667 HG13 ILE 76 HG11 ILE 76 3.652 -4.155 -1.415 668 HG21 ILE 76 HG21 ILE 76 1.674 -7.916 -1.767 669 HG22 ILE 76 HG22 ILE 76 3.311 -7.835 -1.103 670 HG23 ILE 76 HG23 ILE 76 3.041 -7.529 -2.816 671 HD11 ILE 76 HD11 ILE 76 5.683 -5.149 -0.520 672 HD12 ILE 76 HD12 ILE 76 4.934 -6.746 -0.568 673 HD13 ILE 76 HD13 ILE 76 4.303 -5.509 0.517 674 H SER 77 HN SER 77 -0.204 -4.537 -0.853 675 HA SER 77 HA SER 77 -2.417 -5.998 -1.928 676 HB2 SER 77 HB2 SER 77 -1.282 -6.669 0.804 677 HB3 SER 77 HB1 SER 77 -2.856 -7.208 0.212 678 HG SER 77 HG SER 77 -0.822 -7.673 -1.527 679 H VAL 78 HN VAL 78 -4.416 -5.365 -0.934 680 HA VAL 78 HA VAL 78 -4.363 -3.132 0.872 681 HB VAL 78 HB VAL 78 -4.061 -2.053 -1.340 682 HG11 VAL 78 HG11 VAL 78 -5.019 -3.724 -2.775 683 HG12 VAL 78 HG12 VAL 78 -5.791 -2.164 -3.063 684 HG13 VAL 78 HG13 VAL 78 -6.626 -3.403 -2.126 685 HG21 VAL 78 HG21 VAL 78 -5.358 -0.853 0.324 686 HG22 VAL 78 HG22 VAL 78 -6.840 -1.625 -0.248 687 HG23 VAL 78 HG23 VAL 78 -5.958 -0.515 -1.298 688 H GLY 79 HN GLY 79 -6.394 -2.919 1.911 689 HA2 GLY 79 HA2 GLY 79 -8.842 -3.538 1.330 690 HA3 GLY 79 HA1 GLY 79 -8.179 -5.167 1.404 691 H LYS 80 HN LYS 80 -8.184 -6.135 3.308 692 HA LYS 80 HA LYS 80 -8.446 -4.403 5.641 693 HB2 LYS 80 HB2 LYS 80 -9.906 -6.990 5.142 694 HB3 LYS 80 HB1 LYS 80 -9.894 -6.104 6.661 695 HG2 LYS 80 HG2 LYS 80 -10.981 -4.205 5.569 696 HG3 LYS 80 HG1 LYS 80 -10.966 -5.077 4.037 697 HD2 LYS 80 HD2 LYS 80 -13.145 -5.243 5.062 698 HD3 LYS 80 HD1 LYS 80 -12.369 -6.830 5.053 699 HE2 LYS 80 HE2 LYS 80 -11.704 -6.468 7.423 700 HE3 LYS 80 HE1 LYS 80 -12.558 -4.924 7.378 701 HZ1 LYS 80 HZ1 LYS 80 -14.610 -6.152 6.939 702 HZ2 LYS 80 HZ2 LYS 80 -13.895 -6.631 8.391 703 HZ3 LYS 80 HZ3 LYS 80 -13.756 -7.610 7.034 704 H ALA 81 HN ALA 81 -7.400 -4.966 7.422 705 HA ALA 81 HA ALA 81 -5.798 -7.397 7.409 706 HB1 ALA 81 HB1 ALA 81 -5.057 -4.645 8.438 707 HB2 ALA 81 HB2 ALA 81 -4.329 -5.458 7.054 708 HB3 ALA 81 HB3 ALA 81 -4.098 -6.105 8.678 709 H GLU 82 HN GLU 82 -6.600 -8.616 8.949 710 HA GLU 82 HA GLU 82 -7.696 -7.292 11.313 711 HB2 GLU 82 HB2 GLU 82 -9.472 -8.113 9.794 712 HB3 GLU 82 HB1 GLU 82 -8.810 -9.731 9.929 713 HG2 GLU 82 HG2 GLU 82 -9.379 -9.830 12.249 714 HG3 GLU 82 HG1 GLU 82 -9.865 -8.136 12.247 715 H ALA 83 HN ALA 83 -6.062 -10.094 9.950 716 HA ALA 83 HA ALA 83 -5.051 -10.598 12.656 717 HB1 ALA 83 HB1 ALA 83 -5.671 -12.768 10.652 718 HB2 ALA 83 HB2 ALA 83 -6.658 -12.365 12.057 719 HB3 ALA 83 HB3 ALA 83 -5.028 -12.999 12.278 720 H SER 84 HN SER 84 -4.272 -11.778 9.367 721 HA SER 84 HA SER 84 -1.702 -10.478 9.520 722 HB2 SER 84 HB2 SER 84 -1.434 -12.537 10.957 723 HB3 SER 84 HB1 SER 84 -1.713 -13.519 9.521 724 HG SER 84 HG SER 84 0.536 -12.375 10.387 725 H GLU 85 HN GLU 85 -4.082 -10.733 7.758 726 HA GLU 85 HA GLU 85 -3.701 -12.343 5.519 727 HB2 GLU 85 HB2 GLU 85 -5.152 -9.688 5.691 728 HB3 GLU 85 HB1 GLU 85 -5.344 -10.894 4.437 729 HG2 GLU 85 HG2 GLU 85 -7.231 -10.936 5.948 730 HG3 GLU 85 HG1 GLU 85 -6.321 -12.436 6.099 731 H VAL 86 HN VAL 86 -3.033 -8.921 6.048 732 HA VAL 86 HA VAL 86 -1.929 -8.556 3.456 733 HB VAL 86 HB VAL 86 -1.359 -6.282 4.169 734 HG11 VAL 86 HG11 VAL 86 -4.116 -7.150 5.000 735 HG12 VAL 86 HG12 VAL 86 -3.595 -6.715 3.372 736 HG13 VAL 86 HG13 VAL 86 -3.627 -5.494 4.642 737 HG21 VAL 86 HG21 VAL 86 -1.931 -5.500 6.434 738 HG22 VAL 86 HG22 VAL 86 -0.683 -6.748 6.480 739 HG23 VAL 86 HG23 VAL 86 -2.348 -7.151 6.892 740 H TYR 87 HN TYR 87 -0.613 -9.936 6.169 741 HA TYR 87 HA TYR 87 2.098 -9.085 5.517 742 HB2 TYR 87 HB2 TYR 87 1.087 -10.912 7.702 743 HB3 TYR 87 HB1 TYR 87 2.779 -10.521 7.441 744 HD1 TYR 87 HD2 TYR 87 3.617 -8.262 7.926 745 HD2 TYR 87 HD1 TYR 87 -0.404 -9.353 8.715 746 HE1 TYR 87 HE2 TYR 87 3.388 -6.310 9.390 747 HE2 TYR 87 HE1 TYR 87 -0.654 -7.413 10.199 748 HH TYR 87 HH TYR 87 0.768 -5.981 11.531 749 H SER 88 HN SER 88 0.207 -12.049 5.783 750 HA SER 88 HA SER 88 2.149 -13.838 4.858 751 HB2 SER 88 HB2 SER 88 -0.850 -14.085 4.619 752 HB3 SER 88 HB1 SER 88 0.330 -15.396 4.671 753 HG SER 88 HG SER 88 -0.674 -13.802 6.715 754 H GLU 89 HN GLU 89 -0.523 -12.247 3.108 755 HA GLU 89 HA GLU 89 0.081 -13.490 0.650 756 HB2 GLU 89 HB2 GLU 89 -1.491 -10.968 1.183 757 HB3 GLU 89 HB1 GLU 89 -1.546 -11.926 -0.289 758 HG2 GLU 89 HG2 GLU 89 -2.430 -12.847 2.446 759 HG3 GLU 89 HG1 GLU 89 -3.489 -12.334 1.140 760 H ALA 90 HN ALA 90 1.185 -10.623 2.231 761 HA ALA 90 HA ALA 90 2.250 -9.380 -0.096 762 HB1 ALA 90 HB1 ALA 90 1.644 -8.059 1.874 763 HB2 ALA 90 HB2 ALA 90 3.330 -7.817 1.413 764 HB3 ALA 90 HB3 ALA 90 2.932 -8.846 2.786 765 H VAL 91 HN VAL 91 3.728 -11.169 2.615 766 HA VAL 91 HA VAL 91 6.338 -10.949 1.588 767 HB VAL 91 HB VAL 91 5.901 -11.523 3.972 768 HG11 VAL 91 HG11 VAL 91 4.081 -13.072 3.752 769 HG12 VAL 91 HG12 VAL 91 5.402 -13.809 4.660 770 HG13 VAL 91 HG13 VAL 91 5.136 -14.252 2.975 771 HG21 VAL 91 HG21 VAL 91 7.712 -13.164 4.261 772 HG22 VAL 91 HG22 VAL 91 8.121 -11.927 3.074 773 HG23 VAL 91 HG23 VAL 91 7.633 -13.534 2.540 774 H LYS 92 HN LYS 92 3.814 -13.273 1.008 775 HA LYS 92 HA LYS 92 5.473 -15.054 -0.477 776 HB2 LYS 92 HB2 LYS 92 2.480 -14.791 -0.260 777 HB3 LYS 92 HB1 LYS 92 3.264 -16.023 -1.241 778 HG2 LYS 92 HG2 LYS 92 3.496 -15.690 1.750 779 HG3 LYS 92 HG1 LYS 92 2.536 -16.903 0.904 780 HD2 LYS 92 HD2 LYS 92 4.612 -17.803 -0.100 781 HD3 LYS 92 HD1 LYS 92 5.541 -16.627 0.826 782 HE2 LYS 92 HE2 LYS 92 5.590 -18.755 1.964 783 HE3 LYS 92 HE1 LYS 92 4.661 -17.594 2.903 784 HZ1 LYS 92 HZ1 LYS 92 3.476 -19.673 1.141 785 HZ2 LYS 92 HZ2 LYS 92 2.625 -18.607 2.125 786 HZ3 LYS 92 HZ3 LYS 92 3.619 -19.775 2.811 787 H ARG 93 HN ARG 93 4.024 -12.063 -1.195 788 HA ARG 93 HA ARG 93 3.913 -12.681 -4.018 789 HB2 ARG 93 HB2 ARG 93 2.074 -11.398 -2.934 790 HB3 ARG 93 HB1 ARG 93 3.209 -10.094 -2.632 791 HG2 ARG 93 HG2 ARG 93 1.810 -9.629 -4.571 792 HG3 ARG 93 HG1 ARG 93 3.506 -9.783 -5.030 793 HD2 ARG 93 HD2 ARG 93 3.125 -12.052 -5.802 794 HD3 ARG 93 HD1 ARG 93 1.442 -11.975 -5.278 795 HE ARG 93 HE ARG 93 1.875 -9.853 -6.995 796 HH11 ARG 93 HH11 ARG 93 1.815 -13.386 -7.244 797 HH12 ARG 93 HH12 ARG 93 1.466 -13.353 -8.909 798 HH21 ARG 93 HH21 ARG 93 1.446 -9.838 -9.132 799 HH22 ARG 93 HH22 ARG 93 1.280 -11.286 -10.058 800 H ILE 94 HN ILE 94 6.026 -11.321 -1.802 801 HA ILE 94 HA ILE 94 7.429 -9.609 -3.617 802 HB ILE 94 HB ILE 94 8.233 -10.701 -0.907 803 HG12 ILE 94 HG12 ILE 94 7.220 -7.963 -1.665 804 HG13 ILE 94 HG11 ILE 94 6.183 -9.255 -1.075 805 HG21 ILE 94 HG21 ILE 94 10.210 -10.026 -2.207 806 HG22 ILE 94 HG22 ILE 94 9.915 -8.892 -0.887 807 HG23 ILE 94 HG23 ILE 94 9.465 -8.461 -2.537 808 HD11 ILE 94 HD11 ILE 94 7.423 -9.315 0.981 809 HD12 ILE 94 HD12 ILE 94 6.729 -7.722 0.674 810 HD13 ILE 94 HD13 ILE 94 8.467 -8.004 0.413 811 H LEU 95 HN LEU 95 7.986 -12.857 -2.301 812 HA LEU 95 HA LEU 95 10.158 -13.186 -4.241 813 HB2 LEU 95 HB2 LEU 95 10.477 -13.475 -1.654 814 HB3 LEU 95 HB1 LEU 95 9.598 -14.967 -1.862 815 HG LEU 95 HG LEU 95 12.006 -15.354 -1.715 816 HD11 LEU 95 HD11 LEU 95 12.389 -16.675 -3.732 817 HD12 LEU 95 HD12 LEU 95 10.950 -15.950 -4.461 818 HD13 LEU 95 HD13 LEU 95 10.804 -16.954 -3.016 819 HD21 LEU 95 HD21 LEU 95 12.230 -13.667 -4.197 820 HD22 LEU 95 HD22 LEU 95 13.540 -14.578 -3.445 821 HD23 LEU 95 HD23 LEU 95 12.796 -13.234 -2.585 Start of MODEL 10 1 H MET 1 H MET 1 10.962 17.024 -4.451 2 HA MET 1 HA MET 1 10.929 14.813 -5.365 3 HB2 MET 1 HB2 MET 1 12.167 15.355 -3.215 4 HB3 MET 1 HB1 MET 1 10.762 14.694 -2.378 5 HG2 MET 1 HG2 MET 1 11.141 12.533 -3.478 6 HG3 MET 1 HG1 MET 1 12.583 13.199 -4.242 7 HE1 MET 1 HE1 MET 1 14.180 10.789 -1.611 8 HE2 MET 1 HE2 MET 1 14.208 11.327 -3.286 9 HE3 MET 1 HE3 MET 1 12.773 10.526 -2.644 10 H ALA 2 HN ALA 2 9.735 13.138 -5.825 11 HA ALA 2 HA ALA 2 7.551 12.302 -4.124 12 HB1 ALA 2 HB1 ALA 2 6.477 13.975 -5.592 13 HB2 ALA 2 HB2 ALA 2 5.869 12.345 -5.881 14 HB3 ALA 2 HB3 ALA 2 7.019 13.064 -7.004 15 H TYR 3 HN TYR 3 7.280 10.194 -4.226 16 HA TYR 3 HA TYR 3 9.051 8.683 -5.948 17 HB2 TYR 3 HB2 TYR 3 7.218 7.882 -3.676 18 HB3 TYR 3 HB1 TYR 3 8.109 6.725 -4.644 19 HD1 TYR 3 HD1 TYR 3 8.975 9.943 -2.897 20 HD2 TYR 3 HD2 TYR 3 9.898 5.837 -3.516 21 HE1 TYR 3 HE1 TYR 3 10.867 10.140 -1.340 22 HE2 TYR 3 HE2 TYR 3 11.800 6.028 -1.966 23 HH TYR 3 HH TYR 3 13.236 7.654 -1.011 24 H PHE 4 HN PHE 4 8.167 6.771 -7.056 25 HA PHE 4 HA PHE 4 5.750 7.433 -8.499 26 HB2 PHE 4 HB2 PHE 4 7.570 5.020 -8.668 27 HB3 PHE 4 HB1 PHE 4 6.255 5.363 -9.777 28 HD1 PHE 4 HD1 PHE 4 6.510 8.015 -10.612 29 HD2 PHE 4 HD2 PHE 4 9.619 5.307 -9.576 30 HE1 PHE 4 HE1 PHE 4 8.057 9.250 -12.051 31 HE2 PHE 4 HE2 PHE 4 11.182 6.544 -11.012 32 HZ PHE 4 HZ PHE 4 10.402 8.520 -12.257 33 H LEU 5 HN LEU 5 3.964 5.890 -8.607 34 HA LEU 5 HA LEU 5 3.780 4.177 -6.221 35 HB2 LEU 5 HB2 LEU 5 2.428 6.410 -6.208 36 HB3 LEU 5 HB1 LEU 5 1.450 5.677 -7.447 37 HG LEU 5 HG LEU 5 0.336 5.581 -5.281 38 HD11 LEU 5 HD11 LEU 5 -0.223 3.770 -6.728 39 HD12 LEU 5 HD12 LEU 5 -0.116 3.188 -5.054 40 HD13 LEU 5 HD13 LEU 5 1.190 2.863 -6.184 41 HD21 LEU 5 HD21 LEU 5 2.712 4.003 -4.342 42 HD22 LEU 5 HD22 LEU 5 1.203 4.186 -3.465 43 HD23 LEU 5 HD23 LEU 5 2.204 5.601 -3.780 44 H ASP 6 HN ASP 6 3.305 2.102 -6.786 45 HA ASP 6 HA ASP 6 1.827 1.664 -9.258 46 HB2 ASP 6 HB2 ASP 6 4.298 1.458 -9.775 47 HB3 ASP 6 HB1 ASP 6 4.350 0.119 -8.632 48 H PHE 7 HN PHE 7 0.968 -0.500 -9.362 49 HA PHE 7 HA PHE 7 0.422 -1.576 -6.657 50 HB2 PHE 7 HB2 PHE 7 -1.477 -1.388 -9.001 51 HB3 PHE 7 HB1 PHE 7 -1.825 -2.203 -7.492 52 HD1 PHE 7 HD1 PHE 7 -1.374 1.050 -9.135 53 HD2 PHE 7 HD2 PHE 7 -2.487 -0.962 -5.557 54 HE1 PHE 7 HE1 PHE 7 -2.373 3.127 -8.282 55 HE2 PHE 7 HE2 PHE 7 -3.480 1.112 -4.693 56 HZ PHE 7 HZ PHE 7 -3.428 3.162 -6.059 57 H ASP 8 HN ASP 8 0.538 -3.746 -6.436 58 HA ASP 8 HA ASP 8 1.541 -5.468 -8.461 59 HB2 ASP 8 HB2 ASP 8 1.793 -5.948 -6.036 60 HB3 ASP 8 HB1 ASP 8 0.050 -6.131 -5.894 61 H GLU 9 HN GLU 9 0.316 -7.249 -9.523 62 HA GLU 9 HA GLU 9 -2.085 -6.293 -10.563 63 HB2 GLU 9 HB2 GLU 9 -2.324 -8.485 -11.719 64 HB3 GLU 9 HB1 GLU 9 -0.781 -7.702 -11.975 65 HG2 GLU 9 HG2 GLU 9 -0.212 -9.948 -11.713 66 HG3 GLU 9 HG1 GLU 9 0.059 -9.249 -10.123 67 H ARG 10 HN ARG 10 -1.570 -8.323 -7.779 68 HA ARG 10 HA ARG 10 -4.315 -9.136 -7.504 69 HB2 ARG 10 HB2 ARG 10 -2.220 -8.764 -5.346 70 HB3 ARG 10 HB1 ARG 10 -3.724 -9.656 -5.187 71 HG2 ARG 10 HG2 ARG 10 -1.533 -10.370 -7.090 72 HG3 ARG 10 HG1 ARG 10 -1.697 -11.051 -5.471 73 HD2 ARG 10 HD2 ARG 10 -3.782 -12.065 -6.060 74 HD3 ARG 10 HD1 ARG 10 -3.815 -11.211 -7.605 75 HE ARG 10 HE ARG 10 -1.926 -12.411 -8.285 76 HH11 ARG 10 HH11 ARG 10 -3.550 -13.760 -5.433 77 HH12 ARG 10 HH12 ARG 10 -2.979 -15.338 -5.644 78 HH21 ARG 10 HH21 ARG 10 -1.116 -14.617 -8.588 79 HH22 ARG 10 HH22 ARG 10 -1.535 -15.846 -7.502 80 H ALA 11 HN ALA 11 -2.293 -6.546 -6.372 81 HA ALA 11 HA ALA 11 -4.127 -5.318 -4.642 82 HB1 ALA 11 HB1 ALA 11 -2.645 -3.380 -4.702 83 HB2 ALA 11 HB2 ALA 11 -1.806 -4.058 -6.099 84 HB3 ALA 11 HB3 ALA 11 -1.720 -4.874 -4.540 85 H LEU 12 HN LEU 12 -3.535 -4.939 -8.107 86 HA LEU 12 HA LEU 12 -5.152 -2.675 -8.516 87 HB2 LEU 12 HB2 LEU 12 -4.330 -4.944 -10.289 88 HB3 LEU 12 HB1 LEU 12 -5.396 -3.683 -10.855 89 HG LEU 12 HG LEU 12 -2.590 -3.215 -9.842 90 HD11 LEU 12 HD11 LEU 12 -2.037 -2.885 -12.212 91 HD12 LEU 12 HD12 LEU 12 -3.679 -3.338 -12.659 92 HD13 LEU 12 HD13 LEU 12 -2.610 -4.524 -11.917 93 HD21 LEU 12 HD21 LEU 12 -2.897 -0.992 -10.847 94 HD22 LEU 12 HD22 LEU 12 -4.104 -1.272 -9.591 95 HD23 LEU 12 HD23 LEU 12 -4.548 -1.414 -11.283 96 H LYS 13 HN LYS 13 -5.831 -6.095 -8.544 97 HA LYS 13 HA LYS 13 -8.504 -5.923 -9.418 98 HB2 LYS 13 HB2 LYS 13 -7.082 -8.022 -7.800 99 HB3 LYS 13 HB1 LYS 13 -8.657 -8.228 -8.561 100 HG2 LYS 13 HG2 LYS 13 -7.745 -8.105 -10.718 101 HG3 LYS 13 HG1 LYS 13 -6.209 -7.483 -10.114 102 HD2 LYS 13 HD2 LYS 13 -5.773 -9.572 -9.016 103 HD3 LYS 13 HD1 LYS 13 -7.322 -10.226 -9.584 104 HE2 LYS 13 HE2 LYS 13 -6.552 -9.909 -11.907 105 HE3 LYS 13 HE1 LYS 13 -5.017 -9.299 -11.279 106 HZ1 LYS 13 HZ1 LYS 13 -4.408 -11.319 -10.501 107 HZ2 LYS 13 HZ2 LYS 13 -5.135 -11.718 -11.977 108 HZ3 LYS 13 HZ3 LYS 13 -5.974 -11.974 -10.533 109 H GLU 14 HN GLU 14 -7.006 -6.142 -6.201 110 HA GLU 14 HA GLU 14 -9.425 -6.147 -4.784 111 HB2 GLU 14 HB2 GLU 14 -6.689 -5.272 -3.880 112 HB3 GLU 14 HB1 GLU 14 -8.039 -5.669 -2.827 113 HG2 GLU 14 HG2 GLU 14 -6.635 -7.547 -4.703 114 HG3 GLU 14 HG1 GLU 14 -6.397 -7.489 -2.970 115 H TRP 15 HN TRP 15 -7.274 -3.603 -5.836 116 HA TRP 15 HA TRP 15 -8.350 -1.402 -4.474 117 HB2 TRP 15 HB2 TRP 15 -6.173 -1.413 -5.569 118 HB3 TRP 15 HB1 TRP 15 -6.928 -1.636 -7.130 119 HD1 TRP 15 HD1 TRP 15 -7.374 0.481 -8.469 120 HE1 TRP 15 HE1 TRP 15 -7.234 2.999 -7.992 121 HE3 TRP 15 HE3 TRP 15 -6.566 0.281 -3.444 122 HZ2 TRP 15 HZ2 TRP 15 -6.824 4.676 -5.768 123 HZ3 TRP 15 HZ3 TRP 15 -6.297 2.383 -2.207 124 HH2 TRP 15 HH2 TRP 15 -6.422 4.535 -3.342 125 H ARG 16 HN ARG 16 -9.070 -2.711 -7.672 126 HA ARG 16 HA ARG 16 -11.117 -0.784 -8.185 127 HB2 ARG 16 HB2 ARG 16 -10.445 -3.361 -9.595 128 HB3 ARG 16 HB1 ARG 16 -11.589 -2.162 -10.188 129 HG2 ARG 16 HG2 ARG 16 -9.818 -0.505 -10.337 130 HG3 ARG 16 HG1 ARG 16 -8.664 -1.656 -9.667 131 HD2 ARG 16 HD2 ARG 16 -9.108 -3.131 -11.604 132 HD3 ARG 16 HD1 ARG 16 -10.124 -1.858 -12.289 133 HE ARG 16 HE ARG 16 -7.828 -0.571 -11.871 134 HH11 ARG 16 HH11 ARG 16 -8.557 -3.638 -13.501 135 HH12 ARG 16 HH12 ARG 16 -7.203 -3.616 -14.510 136 HH21 ARG 16 HH21 ARG 16 -5.941 -0.514 -13.300 137 HH22 ARG 16 HH22 ARG 16 -5.678 -1.781 -14.409 138 H LYS 17 HN LYS 17 -10.955 -3.779 -6.640 139 HA LYS 17 HA LYS 17 -13.716 -4.537 -6.619 140 HB2 LYS 17 HB2 LYS 17 -12.090 -6.210 -6.393 141 HB3 LYS 17 HB1 LYS 17 -11.202 -5.288 -5.207 142 HG2 LYS 17 HG2 LYS 17 -13.001 -5.746 -3.582 143 HG3 LYS 17 HG1 LYS 17 -13.773 -6.777 -4.800 144 HD2 LYS 17 HD2 LYS 17 -11.845 -8.193 -4.912 145 HD3 LYS 17 HD1 LYS 17 -10.934 -7.113 -3.862 146 HE2 LYS 17 HE2 LYS 17 -12.472 -7.604 -2.039 147 HE3 LYS 17 HE1 LYS 17 -13.364 -8.692 -3.101 148 HZ1 LYS 17 HZ1 LYS 17 -11.794 -9.864 -1.681 149 HZ2 LYS 17 HZ2 LYS 17 -10.485 -9.022 -2.417 150 HZ3 LYS 17 HZ3 LYS 17 -11.443 -10.069 -3.312 151 H LEU 18 HN LEU 18 -11.576 -2.674 -4.617 152 HA LEU 18 HA LEU 18 -13.021 -2.449 -2.258 153 HB2 LEU 18 HB2 LEU 18 -10.737 -1.249 -3.488 154 HB3 LEU 18 HB1 LEU 18 -11.710 -0.014 -2.719 155 HG LEU 18 HG LEU 18 -11.528 -1.171 -0.581 156 HD11 LEU 18 HD11 LEU 18 -9.778 -3.141 -2.052 157 HD12 LEU 18 HD12 LEU 18 -11.366 -3.480 -1.363 158 HD13 LEU 18 HD13 LEU 18 -10.016 -3.071 -0.306 159 HD21 LEU 18 HD21 LEU 18 -9.168 -0.779 -0.206 160 HD22 LEU 18 HD22 LEU 18 -9.892 0.487 -1.200 161 HD23 LEU 18 HD23 LEU 18 -8.889 -0.758 -1.948 162 H GLY 19 HN GLY 19 -14.286 -0.812 -1.455 163 HA2 GLY 19 HA2 GLY 19 -16.276 0.194 -3.203 164 HA3 GLY 19 HA1 GLY 19 -16.112 0.564 -1.485 165 H SER 20 HN SER 20 -16.714 2.306 -3.757 166 HA SER 20 HA SER 20 -14.693 3.799 -4.780 167 HB2 SER 20 HB2 SER 20 -17.380 4.813 -3.881 168 HB3 SER 20 HB1 SER 20 -16.376 5.481 -5.168 169 HG SER 20 HG SER 20 -18.177 3.950 -5.664 170 H THR 21 HN THR 21 -16.457 4.533 -1.798 171 HA THR 21 HA THR 21 -15.066 6.889 -1.158 172 HB THR 21 HB THR 21 -16.504 5.007 0.722 173 HG1 THR 21 HG1 THR 21 -18.332 5.811 -0.062 174 HG21 THR 21 HG21 THR 21 -15.250 6.827 1.845 175 HG22 THR 21 HG22 THR 21 -16.991 7.055 2.001 176 HG23 THR 21 HG23 THR 21 -16.079 8.011 0.835 177 H VAL 22 HN VAL 22 -14.463 3.523 -0.416 178 HA VAL 22 HA VAL 22 -12.534 3.943 1.642 179 HB VAL 22 HB VAL 22 -12.982 1.566 -0.184 180 HG11 VAL 22 HG11 VAL 22 -10.772 1.525 0.863 181 HG12 VAL 22 HG12 VAL 22 -11.818 0.243 1.474 182 HG13 VAL 22 HG13 VAL 22 -11.531 1.674 2.452 183 HG21 VAL 22 HG21 VAL 22 -14.036 2.102 2.588 184 HG22 VAL 22 HG22 VAL 22 -14.233 0.597 1.692 185 HG23 VAL 22 HG23 VAL 22 -14.973 2.084 1.094 186 H ARG 23 HN ARG 23 -12.354 3.155 -1.792 187 HA ARG 23 HA ARG 23 -9.536 3.281 -1.810 188 HB2 ARG 23 HB2 ARG 23 -9.695 3.188 -4.283 189 HB3 ARG 23 HB1 ARG 23 -10.514 1.896 -3.416 190 HG2 ARG 23 HG2 ARG 23 -12.577 2.664 -3.909 191 HG3 ARG 23 HG1 ARG 23 -12.061 4.288 -4.330 192 HD2 ARG 23 HD2 ARG 23 -10.917 3.422 -6.243 193 HD3 ARG 23 HD1 ARG 23 -11.313 1.763 -5.800 194 HE ARG 23 HE ARG 23 -13.334 3.783 -6.542 195 HH11 ARG 23 HH11 ARG 23 -12.097 0.460 -6.656 196 HH12 ARG 23 HH12 ARG 23 -13.421 -0.173 -7.511 197 HH21 ARG 23 HH21 ARG 23 -15.169 2.916 -7.740 198 HH22 ARG 23 HH22 ARG 23 -15.222 1.262 -8.147 199 H GLU 24 HN GLU 24 -11.982 5.714 -2.524 200 HA GLU 24 HA GLU 24 -10.330 7.611 -3.715 201 HB2 GLU 24 HB2 GLU 24 -12.719 7.961 -1.919 202 HB3 GLU 24 HB1 GLU 24 -11.894 9.312 -2.681 203 HG2 GLU 24 HG2 GLU 24 -12.407 8.420 -4.869 204 HG3 GLU 24 HG1 GLU 24 -13.181 7.017 -4.128 205 H GLN 25 HN GLN 25 -11.027 7.092 -0.279 206 HA GLN 25 HA GLN 25 -9.307 9.185 0.512 207 HB2 GLN 25 HB2 GLN 25 -10.836 7.060 1.894 208 HB3 GLN 25 HB1 GLN 25 -9.495 7.800 2.763 209 HG2 GLN 25 HG2 GLN 25 -11.765 8.774 3.192 210 HG3 GLN 25 HG1 GLN 25 -10.510 9.914 2.736 211 HE21 GLN 25 HE21 GLN 25 -13.405 8.302 1.742 212 HE22 GLN 25 HE22 GLN 25 -13.777 9.351 0.421 213 H LEU 26 HN LEU 26 -8.833 5.750 0.022 214 HA LEU 26 HA LEU 26 -6.244 5.652 1.157 215 HB2 LEU 26 HB2 LEU 26 -7.555 3.967 -0.918 216 HB3 LEU 26 HB1 LEU 26 -5.954 3.622 -0.307 217 HG LEU 26 HG LEU 26 -8.476 3.619 1.385 218 HD11 LEU 26 HD11 LEU 26 -8.127 1.222 1.512 219 HD12 LEU 26 HD12 LEU 26 -6.755 1.359 0.410 220 HD13 LEU 26 HD13 LEU 26 -8.381 1.747 -0.151 221 HD21 LEU 26 HD21 LEU 26 -5.624 2.892 2.075 222 HD22 LEU 26 HD22 LEU 26 -7.019 2.665 3.121 223 HD23 LEU 26 HD23 LEU 26 -6.507 4.293 2.687 224 H LYS 27 HN LYS 27 -7.341 6.207 -2.183 225 HA LYS 27 HA LYS 27 -4.827 6.402 -3.375 226 HB2 LYS 27 HB2 LYS 27 -6.938 6.384 -4.625 227 HB3 LYS 27 HB1 LYS 27 -7.308 7.984 -4.014 228 HG2 LYS 27 HG2 LYS 27 -5.186 8.776 -5.072 229 HG3 LYS 27 HG1 LYS 27 -5.026 7.195 -5.839 230 HD2 LYS 27 HD2 LYS 27 -5.987 8.655 -7.464 231 HD3 LYS 27 HD1 LYS 27 -7.306 7.641 -6.877 232 HE2 LYS 27 HE2 LYS 27 -8.049 9.430 -5.408 233 HE3 LYS 27 HE1 LYS 27 -6.662 10.406 -5.885 234 HZ1 LYS 27 HZ1 LYS 27 -8.704 11.036 -7.046 235 HZ2 LYS 27 HZ2 LYS 27 -8.806 9.513 -7.739 236 HZ3 LYS 27 HZ3 LYS 27 -7.517 10.521 -8.111 237 H LYS 28 HN LYS 28 -6.769 8.822 -1.762 238 HA LYS 28 HA LYS 28 -5.125 11.052 -2.112 239 HB2 LYS 28 HB2 LYS 28 -6.911 10.379 0.216 240 HB3 LYS 28 HB1 LYS 28 -6.210 11.967 -0.080 241 HG2 LYS 28 HG2 LYS 28 -7.406 12.098 -2.198 242 HG3 LYS 28 HG1 LYS 28 -8.088 10.505 -1.899 243 HD2 LYS 28 HD2 LYS 28 -9.193 11.329 0.101 244 HD3 LYS 28 HD1 LYS 28 -8.489 12.925 -0.162 245 HE2 LYS 28 HE2 LYS 28 -9.683 13.154 -2.238 246 HE3 LYS 28 HE1 LYS 28 -10.313 11.513 -2.095 247 HZ1 LYS 28 HZ1 LYS 28 -11.945 13.137 -1.404 248 HZ2 LYS 28 HZ2 LYS 28 -10.910 13.760 -0.242 249 HZ3 LYS 28 HZ3 LYS 28 -11.477 12.163 -0.114 250 H LYS 29 HN LYS 29 -5.116 8.570 0.363 251 HA LYS 29 HA LYS 29 -2.997 9.611 1.872 252 HB2 LYS 29 HB2 LYS 29 -4.482 7.105 1.812 253 HB3 LYS 29 HB1 LYS 29 -2.808 6.929 2.319 254 HG2 LYS 29 HG2 LYS 29 -4.304 7.280 4.215 255 HG3 LYS 29 HG1 LYS 29 -3.132 8.589 4.056 256 HD2 LYS 29 HD2 LYS 29 -4.905 9.897 2.874 257 HD3 LYS 29 HD1 LYS 29 -6.040 8.608 3.291 258 HE2 LYS 29 HE2 LYS 29 -6.193 10.373 4.928 259 HE3 LYS 29 HE1 LYS 29 -5.482 8.907 5.628 260 HZ1 LYS 29 HZ1 LYS 29 -3.342 9.861 5.607 261 HZ2 LYS 29 HZ2 LYS 29 -4.336 11.063 6.225 262 HZ3 LYS 29 HZ3 LYS 29 -3.808 11.144 4.626 263 H LEU 30 HN LEU 30 -3.061 7.557 -0.906 264 HA LEU 30 HA LEU 30 -0.315 6.903 -0.863 265 HB2 LEU 30 HB2 LEU 30 -2.225 7.017 -3.185 266 HB3 LEU 30 HB1 LEU 30 -0.631 6.293 -3.227 267 HG LEU 30 HG LEU 30 -2.963 5.351 -1.568 268 HD11 LEU 30 HD11 LEU 30 -2.913 3.403 -3.045 269 HD12 LEU 30 HD12 LEU 30 -1.645 4.170 -3.999 270 HD13 LEU 30 HD13 LEU 30 -3.252 4.892 -3.924 271 HD21 LEU 30 HD21 LEU 30 -1.496 3.421 -1.056 272 HD22 LEU 30 HD22 LEU 30 -0.915 4.936 -0.385 273 HD23 LEU 30 HD23 LEU 30 -0.155 4.267 -1.830 274 H VAL 31 HN VAL 31 -2.148 9.429 -2.553 275 HA VAL 31 HA VAL 31 0.158 10.409 -3.834 276 HB VAL 31 HB VAL 31 -2.110 10.846 -4.745 277 HG11 VAL 31 HG11 VAL 31 -2.394 12.882 -2.563 278 HG12 VAL 31 HG12 VAL 31 -3.274 11.369 -2.705 279 HG13 VAL 31 HG13 VAL 31 -3.507 12.638 -3.917 280 HG21 VAL 31 HG21 VAL 31 -0.484 13.329 -4.258 281 HG22 VAL 31 HG22 VAL 31 -1.721 13.137 -5.504 282 HG23 VAL 31 HG23 VAL 31 -0.254 12.156 -5.558 283 H GLU 32 HN GLU 32 -1.357 11.367 -0.779 284 HA GLU 32 HA GLU 32 0.402 13.550 -0.345 285 HB2 GLU 32 HB2 GLU 32 -0.301 13.423 2.056 286 HB3 GLU 32 HB1 GLU 32 -1.671 13.417 0.953 287 HG2 GLU 32 HG2 GLU 32 -1.929 11.073 1.206 288 HG3 GLU 32 HG1 GLU 32 -0.479 10.953 2.183 289 H VAL 33 HN VAL 33 0.575 10.129 0.510 290 HA VAL 33 HA VAL 33 2.784 10.412 2.201 291 HB VAL 33 HB VAL 33 1.122 8.440 2.100 292 HG11 VAL 33 HG11 VAL 33 1.822 6.452 0.898 293 HG12 VAL 33 HG12 VAL 33 3.114 7.374 0.125 294 HG13 VAL 33 HG13 VAL 33 1.433 7.782 -0.199 295 HG21 VAL 33 HG21 VAL 33 4.041 7.968 2.500 296 HG22 VAL 33 HG22 VAL 33 2.763 6.910 3.108 297 HG23 VAL 33 HG23 VAL 33 2.907 8.563 3.711 298 H LEU 34 HN LEU 34 2.563 10.060 -1.203 299 HA LEU 34 HA LEU 34 5.035 9.060 -1.892 300 HB2 LEU 34 HB2 LEU 34 3.333 11.066 -3.325 301 HB3 LEU 34 HB1 LEU 34 4.790 10.386 -4.016 302 HG LEU 34 HG LEU 34 2.334 8.824 -3.221 303 HD11 LEU 34 HD11 LEU 34 3.405 9.579 -5.933 304 HD12 LEU 34 HD12 LEU 34 1.967 10.254 -5.170 305 HD13 LEU 34 HD13 LEU 34 2.005 8.550 -5.626 306 HD21 LEU 34 HD21 LEU 34 4.318 7.460 -2.990 307 HD22 LEU 34 HD22 LEU 34 4.903 7.999 -4.562 308 HD23 LEU 34 HD23 LEU 34 3.469 6.987 -4.465 309 H GLU 35 HN GLU 35 4.405 12.281 -0.633 310 HA GLU 35 HA GLU 35 6.881 13.284 -1.692 311 HB2 GLU 35 HB2 GLU 35 6.522 15.285 -0.347 312 HB3 GLU 35 HB1 GLU 35 5.054 14.858 -1.203 313 HG2 GLU 35 HG2 GLU 35 4.146 13.897 0.843 314 HG3 GLU 35 HG1 GLU 35 5.628 14.327 1.698 315 H SER 36 HN SER 36 5.977 11.500 1.104 316 HA SER 36 HA SER 36 8.711 11.147 1.844 317 HB2 SER 36 HB2 SER 36 8.381 11.903 4.220 318 HB3 SER 36 HB1 SER 36 8.325 13.229 3.057 319 HG SER 36 HG SER 36 6.050 11.868 4.000 320 HA PRO 37 HA PRO 37 5.839 7.634 2.772 321 HB2 PRO 37 HB2 PRO 37 6.765 5.805 1.081 322 HB3 PRO 37 HB1 PRO 37 5.718 7.113 0.516 323 HG2 PRO 37 HG2 PRO 37 8.694 6.866 0.330 324 HG3 PRO 37 HG1 PRO 37 7.544 7.413 -0.899 325 HD2 PRO 37 HD2 PRO 37 9.021 9.123 0.671 326 HD3 PRO 37 HD1 PRO 37 7.446 9.528 -0.057 327 H ARG 38 HN ARG 38 9.017 8.219 3.239 328 HA ARG 38 HA ARG 38 9.681 5.578 4.237 329 HB2 ARG 38 HB2 ARG 38 11.933 6.730 4.771 330 HB3 ARG 38 HB1 ARG 38 11.507 6.422 3.104 331 HG2 ARG 38 HG2 ARG 38 12.530 8.597 3.318 332 HG3 ARG 38 HG1 ARG 38 10.855 8.778 2.840 333 HD2 ARG 38 HD2 ARG 38 11.542 10.445 4.530 334 HD3 ARG 38 HD1 ARG 38 10.240 9.408 5.098 335 HE ARG 38 HE ARG 38 12.230 8.114 6.125 336 HH11 ARG 38 HH11 ARG 38 12.033 11.675 5.914 337 HH12 ARG 38 HH12 ARG 38 12.829 11.895 7.388 338 HH21 ARG 38 HH21 ARG 38 13.276 8.492 8.145 339 HH22 ARG 38 HH22 ARG 38 13.523 10.092 8.680 340 H ILE 39 HN ILE 39 7.641 6.855 5.632 341 HA ILE 39 HA ILE 39 8.724 7.956 8.089 342 HB ILE 39 HB ILE 39 5.866 7.374 7.236 343 HG12 ILE 39 HG12 ILE 39 7.373 9.985 7.481 344 HG13 ILE 39 HG11 ILE 39 7.033 9.152 5.973 345 HG21 ILE 39 HG21 ILE 39 5.148 8.685 9.173 346 HG22 ILE 39 HG22 ILE 39 6.824 8.872 9.676 347 HG23 ILE 39 HG23 ILE 39 6.078 7.275 9.688 348 HD11 ILE 39 HD11 ILE 39 5.003 10.351 7.851 349 HD12 ILE 39 HD12 ILE 39 4.634 9.477 6.360 350 HD13 ILE 39 HD13 ILE 39 5.526 10.996 6.292 351 H GLU 40 HN GLU 40 9.477 6.675 9.602 352 HA GLU 40 HA GLU 40 9.361 3.905 9.547 353 HB2 GLU 40 HB2 GLU 40 10.367 3.943 11.790 354 HB3 GLU 40 HB1 GLU 40 11.195 4.948 10.615 355 HG2 GLU 40 HG2 GLU 40 10.241 6.924 11.564 356 HG3 GLU 40 HG1 GLU 40 9.198 5.981 12.625 357 H ALA 41 HN ALA 41 7.246 6.125 11.116 358 HA ALA 41 HA ALA 41 6.164 4.364 13.050 359 HB1 ALA 41 HB1 ALA 41 5.986 6.800 13.228 360 HB2 ALA 41 HB2 ALA 41 4.405 6.022 13.325 361 HB3 ALA 41 HB3 ALA 41 4.908 6.818 11.834 362 H ASN 42 HN ASN 42 5.764 4.506 9.688 363 HA ASN 42 HA ASN 42 3.159 3.171 9.854 364 HB2 ASN 42 HB2 ASN 42 4.545 4.513 7.539 365 HB3 ASN 42 HB1 ASN 42 3.112 3.514 7.334 366 HD21 ASN 42 HD21 ASN 42 3.496 6.303 6.726 367 HD22 ASN 42 HD22 ASN 42 2.324 7.169 7.652 368 H LYS 43 HN LYS 43 6.292 2.278 9.865 369 HA LYS 43 HA LYS 43 6.249 0.367 7.738 370 HB2 LYS 43 HB2 LYS 43 8.208 0.590 10.042 371 HB3 LYS 43 HB1 LYS 43 8.430 -0.393 8.592 372 HG2 LYS 43 HG2 LYS 43 8.301 1.699 7.287 373 HG3 LYS 43 HG1 LYS 43 8.251 2.581 8.802 374 HD2 LYS 43 HD2 LYS 43 10.509 2.678 8.192 375 HD3 LYS 43 HD1 LYS 43 10.467 1.325 9.317 376 HE2 LYS 43 HE2 LYS 43 10.489 -0.266 7.512 377 HE3 LYS 43 HE1 LYS 43 10.275 1.014 6.321 378 HZ1 LYS 43 HZ1 LYS 43 12.526 0.484 6.253 379 HZ2 LYS 43 HZ2 LYS 43 12.682 0.399 7.923 380 HZ3 LYS 43 HZ3 LYS 43 12.504 1.893 7.176 381 H LEU 44 HN LEU 44 6.054 -1.774 7.817 382 HA LEU 44 HA LEU 44 4.489 -2.886 9.939 383 HB2 LEU 44 HB2 LEU 44 5.801 -4.117 7.540 384 HB3 LEU 44 HB1 LEU 44 4.832 -5.046 8.675 385 HG LEU 44 HG LEU 44 3.932 -2.870 6.789 386 HD11 LEU 44 HD11 LEU 44 4.324 -5.042 5.757 387 HD12 LEU 44 HD12 LEU 44 2.597 -4.684 5.832 388 HD13 LEU 44 HD13 LEU 44 3.312 -5.811 6.978 389 HD21 LEU 44 HD21 LEU 44 2.725 -2.643 8.834 390 HD22 LEU 44 HD22 LEU 44 2.424 -4.379 8.892 391 HD23 LEU 44 HD23 LEU 44 1.671 -3.399 7.633 392 H ARG 45 HN ARG 45 5.146 -4.068 11.580 393 HA ARG 45 HA ARG 45 7.876 -3.901 12.334 394 HB2 ARG 45 HB2 ARG 45 5.666 -3.865 13.733 395 HB3 ARG 45 HB1 ARG 45 5.846 -5.608 13.718 396 HG2 ARG 45 HG2 ARG 45 6.780 -4.747 15.748 397 HG3 ARG 45 HG1 ARG 45 8.106 -5.314 14.726 398 HD2 ARG 45 HD2 ARG 45 8.625 -3.066 14.045 399 HD3 ARG 45 HD1 ARG 45 7.182 -2.443 14.845 400 HE ARG 45 HE ARG 45 8.787 -3.753 16.716 401 HH11 ARG 45 HH11 ARG 45 8.818 -0.813 14.762 402 HH12 ARG 45 HH12 ARG 45 9.783 0.074 15.839 403 HH21 ARG 45 HH21 ARG 45 10.051 -2.541 18.217 404 HH22 ARG 45 HH22 ARG 45 10.486 -0.940 17.895 405 H GLY 46 HN GLY 46 9.307 -5.170 11.352 406 HA2 GLY 46 HA2 GLY 46 10.451 -7.202 11.144 407 HA3 GLY 46 HA1 GLY 46 8.953 -8.053 11.501 408 H MET 47 HN MET 47 9.252 -5.550 9.065 409 HA MET 47 HA MET 47 9.066 -7.598 6.987 410 HB2 MET 47 HB2 MET 47 7.297 -5.232 7.404 411 HB3 MET 47 HB1 MET 47 7.415 -6.010 5.832 412 HG2 MET 47 HG2 MET 47 6.654 -7.510 8.331 413 HG3 MET 47 HG1 MET 47 5.471 -6.694 7.312 414 HE1 MET 47 HE1 MET 47 6.207 -7.090 4.410 415 HE2 MET 47 HE2 MET 47 4.623 -7.535 5.050 416 HE3 MET 47 HE3 MET 47 5.500 -8.660 4.025 417 HA PRO 48 HA PRO 48 12.210 -5.048 5.161 418 HB2 PRO 48 HB2 PRO 48 11.502 -6.063 2.509 419 HB3 PRO 48 HB1 PRO 48 12.954 -6.369 3.467 420 HG2 PRO 48 HG2 PRO 48 11.098 -8.272 3.010 421 HG3 PRO 48 HG1 PRO 48 12.056 -8.205 4.498 422 HD2 PRO 48 HD2 PRO 48 9.223 -7.322 4.042 423 HD3 PRO 48 HD1 PRO 48 9.949 -8.191 5.409 424 H ASP 49 HN ASP 49 11.302 -3.060 5.462 425 HA ASP 49 HA ASP 49 10.383 -1.062 5.023 426 HB2 ASP 49 HB2 ASP 49 11.652 -1.713 2.381 427 HB3 ASP 49 HB1 ASP 49 10.888 -0.156 2.686 428 H CYS 50 HN CYS 50 8.474 -2.885 5.090 429 HA CYS 50 HA CYS 50 6.613 -2.038 3.006 430 HB2 CYS 50 HB2 CYS 50 6.250 -4.073 5.212 431 HB3 CYS 50 HB1 CYS 50 5.188 -3.821 3.831 432 HG CYS 50 HG CYS 50 8.283 -4.479 2.834 433 H TYR 51 HN TYR 51 4.803 -0.853 3.570 434 HA TYR 51 HA TYR 51 4.687 0.208 6.306 435 HB2 TYR 51 HB2 TYR 51 4.443 1.783 3.725 436 HB3 TYR 51 HB1 TYR 51 4.153 2.414 5.336 437 HD1 TYR 51 HD1 TYR 51 6.910 0.716 3.425 438 HD2 TYR 51 HD2 TYR 51 5.832 3.660 6.277 439 HE1 TYR 51 HE1 TYR 51 9.252 1.449 3.543 440 HE2 TYR 51 HE2 TYR 51 8.164 4.389 6.404 441 HH TYR 51 HH TYR 51 10.566 3.343 4.189 442 H LYS 52 HN LYS 52 2.629 0.668 7.025 443 HA LYS 52 HA LYS 52 0.412 -0.240 5.311 444 HB2 LYS 52 HB2 LYS 52 -0.720 -0.696 7.458 445 HB3 LYS 52 HB1 LYS 52 0.766 -1.627 7.262 446 HG2 LYS 52 HG2 LYS 52 1.939 0.138 8.603 447 HG3 LYS 52 HG1 LYS 52 0.362 0.848 8.907 448 HD2 LYS 52 HD2 LYS 52 -0.331 -1.029 10.119 449 HD3 LYS 52 HD1 LYS 52 1.072 -1.976 9.624 450 HE2 LYS 52 HE2 LYS 52 1.705 -1.257 11.711 451 HE3 LYS 52 HE1 LYS 52 2.439 -0.090 10.666 452 HZ1 LYS 52 HZ1 LYS 52 0.662 1.504 11.112 453 HZ2 LYS 52 HZ2 LYS 52 1.342 0.970 12.565 454 HZ3 LYS 52 HZ3 LYS 52 -0.127 0.359 12.071 455 H ILE 53 HN ILE 53 -1.227 1.140 4.994 456 HA ILE 53 HA ILE 53 -1.457 3.475 6.753 457 HB ILE 53 HB ILE 53 -2.218 3.341 3.801 458 HG12 ILE 53 HG12 ILE 53 -0.121 5.000 5.231 459 HG13 ILE 53 HG11 ILE 53 0.184 3.675 4.116 460 HG21 ILE 53 HG21 ILE 53 -2.935 5.689 4.038 461 HG22 ILE 53 HG22 ILE 53 -2.594 5.630 5.755 462 HG23 ILE 53 HG23 ILE 53 -3.876 4.631 5.081 463 HD11 ILE 53 HD11 ILE 53 -1.074 6.329 3.446 464 HD12 ILE 53 HD12 ILE 53 -0.849 5.007 2.308 465 HD13 ILE 53 HD13 ILE 53 0.556 5.803 3.022 466 H LYS 54 HN LYS 54 -3.330 3.527 7.827 467 HA LYS 54 HA LYS 54 -5.321 1.653 6.904 468 HB2 LYS 54 HB2 LYS 54 -6.251 1.743 9.272 469 HB3 LYS 54 HB1 LYS 54 -4.731 0.909 9.051 470 HG2 LYS 54 HG2 LYS 54 -4.569 2.136 11.048 471 HG3 LYS 54 HG1 LYS 54 -3.587 2.981 9.856 472 HD2 LYS 54 HD2 LYS 54 -5.477 4.555 9.519 473 HD3 LYS 54 HD1 LYS 54 -6.338 3.735 10.828 474 HE2 LYS 54 HE2 LYS 54 -4.484 4.190 12.316 475 HE3 LYS 54 HE1 LYS 54 -3.666 5.017 10.986 476 HZ1 LYS 54 HZ1 LYS 54 -4.760 6.587 12.485 477 HZ2 LYS 54 HZ2 LYS 54 -6.248 5.848 12.197 478 HZ3 LYS 54 HZ3 LYS 54 -5.454 6.650 10.946 479 H LEU 55 HN LEU 55 -7.429 2.198 6.781 480 HA LEU 55 HA LEU 55 -7.754 4.989 6.186 481 HB2 LEU 55 HB2 LEU 55 -8.624 2.998 4.811 482 HB3 LEU 55 HB1 LEU 55 -9.868 2.858 6.035 483 HG LEU 55 HG LEU 55 -10.558 5.233 5.488 484 HD11 LEU 55 HD11 LEU 55 -8.534 4.830 3.353 485 HD12 LEU 55 HD12 LEU 55 -8.550 6.082 4.615 486 HD13 LEU 55 HD13 LEU 55 -9.795 6.049 3.357 487 HD21 LEU 55 HD21 LEU 55 -11.717 3.281 4.522 488 HD22 LEU 55 HD22 LEU 55 -10.564 3.322 3.175 489 HD23 LEU 55 HD23 LEU 55 -11.654 4.681 3.447 490 H ARG 56 HN ARG 56 -9.095 6.349 7.288 491 HA ARG 56 HA ARG 56 -9.807 5.555 9.992 492 HB2 ARG 56 HB2 ARG 56 -8.679 7.704 9.571 493 HB3 ARG 56 HB1 ARG 56 -10.033 8.212 8.575 494 HG2 ARG 56 HG2 ARG 56 -11.498 8.084 10.549 495 HG3 ARG 56 HG1 ARG 56 -10.093 7.658 11.530 496 HD2 ARG 56 HD2 ARG 56 -9.018 9.751 10.904 497 HD3 ARG 56 HD1 ARG 56 -10.418 10.165 9.916 498 HE ARG 56 HE ARG 56 -11.266 9.652 12.522 499 HH11 ARG 56 HH11 ARG 56 -9.472 12.035 10.658 500 HH12 ARG 56 HH12 ARG 56 -9.794 13.331 11.724 501 HH21 ARG 56 HH21 ARG 56 -11.742 11.453 13.998 502 HH22 ARG 56 HH22 ARG 56 -11.073 12.981 13.662 503 H SER 57 HN SER 57 -11.260 6.331 6.930 504 HA SER 57 HA SER 57 -13.884 6.795 7.695 505 HB2 SER 57 HB2 SER 57 -12.996 5.542 5.119 506 HB3 SER 57 HB1 SER 57 -14.273 6.732 5.379 507 HG SER 57 HG SER 57 -12.754 8.330 5.644 508 H SER 58 HN SER 58 -12.052 3.811 7.232 509 HA SER 58 HA SER 58 -14.075 2.170 8.326 510 HB2 SER 58 HB2 SER 58 -14.869 2.461 5.947 511 HB3 SER 58 HB1 SER 58 -13.338 1.802 5.393 512 HG SER 58 HG SER 58 -15.118 0.377 7.105 513 H GLY 59 HN GLY 59 -13.090 -0.096 8.521 514 HA2 GLY 59 HA2 GLY 59 -10.345 0.234 9.284 515 HA3 GLY 59 HA1 GLY 59 -11.337 -1.185 9.527 516 H TYR 60 HN TYR 60 -10.210 0.503 6.642 517 HA TYR 60 HA TYR 60 -9.258 -2.059 5.605 518 HB2 TYR 60 HB2 TYR 60 -9.963 0.541 4.271 519 HB3 TYR 60 HB1 TYR 60 -8.987 -0.666 3.449 520 HD1 TYR 60 HD2 TYR 60 -12.288 -0.266 5.173 521 HD2 TYR 60 HD1 TYR 60 -10.009 -2.329 2.245 522 HE1 TYR 60 HE2 TYR 60 -14.324 -1.419 4.404 523 HE2 TYR 60 HE1 TYR 60 -12.027 -3.483 1.466 524 HH TYR 60 HH TYR 60 -14.212 -4.103 2.317 525 H ARG 61 HN ARG 61 -7.164 -2.318 4.949 526 HA ARG 61 HA ARG 61 -5.294 -0.207 5.708 527 HB2 ARG 61 HB2 ARG 61 -5.111 -3.175 6.229 528 HB3 ARG 61 HB1 ARG 61 -3.682 -2.173 6.146 529 HG2 ARG 61 HG2 ARG 61 -4.248 -2.534 8.439 530 HG3 ARG 61 HG1 ARG 61 -4.547 -0.850 8.048 531 HD2 ARG 61 HD2 ARG 61 -6.931 -1.276 7.920 532 HD3 ARG 61 HD1 ARG 61 -6.669 -3.001 8.176 533 HE ARG 61 HE ARG 61 -5.561 -1.365 10.233 534 HH11 ARG 61 HH11 ARG 61 -8.671 -2.769 9.185 535 HH12 ARG 61 HH12 ARG 61 -9.231 -3.005 10.767 536 HH21 ARG 61 HH21 ARG 61 -6.391 -1.632 12.364 537 HH22 ARG 61 HH22 ARG 61 -7.919 -2.319 12.632 538 H LEU 62 HN LEU 62 -3.667 0.106 4.342 539 HA LEU 62 HA LEU 62 -3.585 -1.583 1.960 540 HB2 LEU 62 HB2 LEU 62 -4.536 0.718 1.610 541 HB3 LEU 62 HB1 LEU 62 -3.024 1.390 2.168 542 HG LEU 62 HG LEU 62 -3.176 -0.357 -0.294 543 HD11 LEU 62 HD11 LEU 62 -3.437 2.641 -0.094 544 HD12 LEU 62 HD12 LEU 62 -4.702 1.516 -0.608 545 HD13 LEU 62 HD13 LEU 62 -3.243 1.712 -1.582 546 HD21 LEU 62 HD21 LEU 62 -1.258 1.756 0.629 547 HD22 LEU 62 HD22 LEU 62 -1.138 0.854 -0.887 548 HD23 LEU 62 HD23 LEU 62 -0.958 0.018 0.662 549 H VAL 63 HN VAL 63 -1.659 -2.509 1.602 550 HA VAL 63 HA VAL 63 0.590 -1.669 3.285 551 HB VAL 63 HB VAL 63 -0.095 -4.473 2.342 552 HG11 VAL 63 HG11 VAL 63 1.751 -5.200 3.781 553 HG12 VAL 63 HG12 VAL 63 2.142 -3.514 4.119 554 HG13 VAL 63 HG13 VAL 63 2.314 -4.146 2.480 555 HG21 VAL 63 HG21 VAL 63 -0.204 -3.270 5.110 556 HG22 VAL 63 HG22 VAL 63 -0.474 -4.968 4.722 557 HG23 VAL 63 HG23 VAL 63 -1.588 -3.737 4.124 558 H TYR 64 HN TYR 64 2.299 -1.029 2.213 559 HA TYR 64 HA TYR 64 2.788 -2.019 -0.487 560 HB2 TYR 64 HB2 TYR 64 3.344 0.282 -1.273 561 HB3 TYR 64 HB1 TYR 64 1.669 0.095 -0.814 562 HD1 TYR 64 HD1 TYR 64 4.896 1.268 0.721 563 HD2 TYR 64 HD2 TYR 64 0.701 1.720 0.397 564 HE1 TYR 64 HE1 TYR 64 5.011 3.284 2.113 565 HE2 TYR 64 HE2 TYR 64 0.789 3.716 1.780 566 HH TYR 64 HH TYR 64 2.268 4.682 3.485 567 H GLN 65 HN GLN 65 5.020 -1.724 -1.160 568 HA GLN 65 HA GLN 65 6.780 -1.386 1.161 569 HB2 GLN 65 HB2 GLN 65 8.405 -2.838 0.112 570 HB3 GLN 65 HB1 GLN 65 6.866 -3.675 0.183 571 HG2 GLN 65 HG2 GLN 65 6.494 -3.165 -2.187 572 HG3 GLN 65 HG1 GLN 65 8.052 -2.341 -2.245 573 HE21 GLN 65 HE21 GLN 65 9.977 -3.605 -1.958 574 HE22 GLN 65 HE22 GLN 65 9.929 -5.292 -2.302 575 H VAL 66 HN VAL 66 8.470 -0.003 1.005 576 HA VAL 66 HA VAL 66 8.307 1.782 -1.295 577 HB VAL 66 HB VAL 66 9.551 2.236 1.440 578 HG11 VAL 66 HG11 VAL 66 10.868 3.387 -0.276 579 HG12 VAL 66 HG12 VAL 66 9.977 4.534 0.722 580 HG13 VAL 66 HG13 VAL 66 9.400 4.144 -0.902 581 HG21 VAL 66 HG21 VAL 66 7.167 3.494 0.088 582 HG22 VAL 66 HG22 VAL 66 7.799 3.918 1.682 583 HG23 VAL 66 HG23 VAL 66 7.116 2.318 1.398 584 H ILE 67 HN ILE 67 9.622 1.344 -2.863 585 HA ILE 67 HA ILE 67 12.239 0.238 -2.229 586 HB ILE 67 HB ILE 67 10.954 0.563 -4.965 587 HG12 ILE 67 HG12 ILE 67 11.005 -1.922 -3.228 588 HG13 ILE 67 HG11 ILE 67 9.589 -0.908 -3.476 589 HG21 ILE 67 HG21 ILE 67 13.392 0.309 -4.964 590 HG22 ILE 67 HG22 ILE 67 12.622 -1.135 -5.621 591 HG23 ILE 67 HG23 ILE 67 13.248 -1.138 -3.974 592 HD11 ILE 67 HD11 ILE 67 11.048 -2.460 -5.601 593 HD12 ILE 67 HD12 ILE 67 9.628 -1.445 -5.857 594 HD13 ILE 67 HD13 ILE 67 9.507 -2.897 -4.861 595 H ASP 68 HN ASP 68 13.355 2.012 -1.617 596 HA ASP 68 HA ASP 68 13.056 4.579 -2.856 597 HB2 ASP 68 HB2 ASP 68 13.694 4.430 -0.504 598 HB3 ASP 68 HB1 ASP 68 15.151 3.546 -0.935 599 H GLU 69 HN GLU 69 15.090 1.874 -3.124 600 HA GLU 69 HA GLU 69 17.245 2.755 -4.604 601 HB2 GLU 69 HB2 GLU 69 15.821 0.136 -5.100 602 HB3 GLU 69 HB1 GLU 69 17.513 0.496 -5.364 603 HG2 GLU 69 HG2 GLU 69 17.558 -0.798 -3.446 604 HG3 GLU 69 HG1 GLU 69 17.594 0.836 -2.793 605 H LYS 70 HN LYS 70 14.013 1.861 -5.625 606 HA LYS 70 HA LYS 70 14.617 2.643 -8.398 607 HB2 LYS 70 HB2 LYS 70 12.359 0.954 -7.330 608 HB3 LYS 70 HB1 LYS 70 12.618 1.347 -9.025 609 HG2 LYS 70 HG2 LYS 70 14.715 0.077 -8.974 610 HG3 LYS 70 HG1 LYS 70 14.438 -0.298 -7.270 611 HD2 LYS 70 HD2 LYS 70 12.314 -1.398 -7.891 612 HD3 LYS 70 HD1 LYS 70 12.677 -1.083 -9.587 613 HE2 LYS 70 HE2 LYS 70 14.716 -2.443 -9.379 614 HE3 LYS 70 HE1 LYS 70 14.311 -2.767 -7.696 615 HZ1 LYS 70 HZ1 LYS 70 13.622 -4.599 -9.064 616 HZ2 LYS 70 HZ2 LYS 70 12.765 -3.581 -10.086 617 HZ3 LYS 70 HZ3 LYS 70 12.232 -3.830 -8.511 618 H VAL 71 HN VAL 71 13.478 3.929 -5.689 619 HA VAL 71 HA VAL 71 12.120 5.518 -5.001 620 HB VAL 71 HB VAL 71 13.680 6.816 -6.490 621 HG11 VAL 71 HG11 VAL 71 13.068 6.094 -8.672 622 HG12 VAL 71 HG12 VAL 71 12.903 7.847 -8.556 623 HG13 VAL 71 HG13 VAL 71 11.470 6.821 -8.508 624 HG21 VAL 71 HG21 VAL 71 10.947 8.017 -6.160 625 HG22 VAL 71 HG22 VAL 71 12.417 8.932 -6.495 626 HG23 VAL 71 HG23 VAL 71 12.258 8.038 -4.981 627 H VAL 72 HN VAL 72 10.724 3.389 -5.573 628 HA VAL 72 HA VAL 72 8.204 4.516 -6.479 629 HB VAL 72 HB VAL 72 9.039 3.192 -8.376 630 HG11 VAL 72 HG11 VAL 72 10.490 1.673 -7.218 631 HG12 VAL 72 HG12 VAL 72 9.356 0.783 -8.239 632 HG13 VAL 72 HG13 VAL 72 9.109 0.852 -6.489 633 HG21 VAL 72 HG21 VAL 72 7.129 1.660 -8.693 634 HG22 VAL 72 HG22 VAL 72 6.616 3.211 -8.031 635 HG23 VAL 72 HG23 VAL 72 6.744 1.807 -6.979 636 H VAL 73 HN VAL 73 6.505 3.973 -5.353 637 HA VAL 73 HA VAL 73 6.810 2.290 -3.004 638 HB VAL 73 HB VAL 73 4.692 4.321 -3.804 639 HG11 VAL 73 HG11 VAL 73 5.076 2.860 -1.206 640 HG12 VAL 73 HG12 VAL 73 3.785 2.584 -2.375 641 HG13 VAL 73 HG13 VAL 73 3.884 4.122 -1.512 642 HG21 VAL 73 HG21 VAL 73 6.798 5.403 -3.311 643 HG22 VAL 73 HG22 VAL 73 6.916 4.535 -1.781 644 HG23 VAL 73 HG23 VAL 73 5.638 5.726 -2.022 645 H PHE 74 HN PHE 74 6.055 0.291 -3.274 646 HA PHE 74 HA PHE 74 4.235 -0.227 -5.524 647 HB2 PHE 74 HB2 PHE 74 6.480 -1.198 -5.733 648 HB3 PHE 74 HB1 PHE 74 6.275 -2.028 -4.202 649 HD1 PHE 74 HD2 PHE 74 4.899 -1.786 -7.636 650 HD2 PHE 74 HD1 PHE 74 5.364 -4.174 -4.146 651 HE1 PHE 74 HE2 PHE 74 3.997 -3.724 -8.846 652 HE2 PHE 74 HE1 PHE 74 4.466 -6.119 -5.354 653 HZ PHE 74 HZ PHE 74 3.782 -5.893 -7.705 654 H VAL 75 HN VAL 75 2.240 -0.550 -4.879 655 HA VAL 75 HA VAL 75 1.567 -1.369 -2.207 656 HB VAL 75 HB VAL 75 -0.235 -1.093 -4.639 657 HG11 VAL 75 HG11 VAL 75 -2.079 -0.922 -3.011 658 HG12 VAL 75 HG12 VAL 75 -0.943 -1.252 -1.704 659 HG13 VAL 75 HG13 VAL 75 -1.260 -2.481 -2.921 660 HG21 VAL 75 HG21 VAL 75 0.857 1.012 -4.126 661 HG22 VAL 75 HG22 VAL 75 0.371 0.884 -2.437 662 HG23 VAL 75 HG23 VAL 75 -0.852 1.097 -3.692 663 H ILE 76 HN ILE 76 1.431 -3.357 -1.505 664 HA ILE 76 HA ILE 76 1.703 -5.542 -3.434 665 HB ILE 76 HB ILE 76 1.868 -5.651 -0.409 666 HG12 ILE 76 HG12 ILE 76 4.167 -5.467 -2.374 667 HG13 ILE 76 HG11 ILE 76 3.600 -4.127 -1.383 668 HG21 ILE 76 HG21 ILE 76 2.788 -7.573 -2.550 669 HG22 ILE 76 HG22 ILE 76 1.447 -7.814 -1.429 670 HG23 ILE 76 HG23 ILE 76 3.107 -7.750 -0.827 671 HD11 ILE 76 HD11 ILE 76 5.591 -5.189 -0.446 672 HD12 ILE 76 HD12 ILE 76 4.729 -6.723 -0.343 673 HD13 ILE 76 HD13 ILE 76 4.209 -5.356 0.636 674 H SER 77 HN SER 77 -0.331 -4.434 -0.737 675 HA SER 77 HA SER 77 -2.512 -6.049 -1.719 676 HB2 SER 77 HB2 SER 77 -1.403 -6.374 1.083 677 HB3 SER 77 HB1 SER 77 -2.888 -7.110 0.481 678 HG SER 77 HG SER 77 -0.892 -7.605 -1.202 679 H VAL 78 HN VAL 78 -4.504 -5.357 -0.942 680 HA VAL 78 HA VAL 78 -4.627 -3.153 0.878 681 HB VAL 78 HB VAL 78 -4.210 -2.022 -1.276 682 HG11 VAL 78 HG11 VAL 78 -5.032 -3.652 -2.837 683 HG12 VAL 78 HG12 VAL 78 -5.821 -2.100 -3.121 684 HG13 VAL 78 HG13 VAL 78 -6.686 -3.391 -2.286 685 HG21 VAL 78 HG21 VAL 78 -7.045 -1.677 -0.327 686 HG22 VAL 78 HG22 VAL 78 -6.136 -0.521 -1.309 687 HG23 VAL 78 HG23 VAL 78 -5.610 -0.890 0.332 688 H GLY 79 HN GLY 79 -6.454 -3.301 2.077 689 HA2 GLY 79 HA2 GLY 79 -8.987 -3.908 1.433 690 HA3 GLY 79 HA1 GLY 79 -8.229 -5.494 1.482 691 H LYS 80 HN LYS 80 -9.615 -6.006 3.244 692 HA LYS 80 HA LYS 80 -9.248 -4.545 5.689 693 HB2 LYS 80 HB2 LYS 80 -10.794 -7.070 5.107 694 HB3 LYS 80 HB1 LYS 80 -10.730 -6.312 6.691 695 HG2 LYS 80 HG2 LYS 80 -11.712 -4.262 5.708 696 HG3 LYS 80 HG1 LYS 80 -11.861 -5.106 4.169 697 HD2 LYS 80 HD2 LYS 80 -13.165 -5.967 6.755 698 HD3 LYS 80 HD1 LYS 80 -13.966 -5.064 5.475 699 HE2 LYS 80 HE2 LYS 80 -13.602 -6.929 3.930 700 HE3 LYS 80 HE1 LYS 80 -12.767 -7.824 5.196 701 HZ1 LYS 80 HZ1 LYS 80 -15.085 -8.521 4.958 702 HZ2 LYS 80 HZ2 LYS 80 -15.611 -6.966 5.304 703 HZ3 LYS 80 HZ3 LYS 80 -14.786 -7.865 6.478 704 H ALA 81 HN ALA 81 -8.484 -5.464 7.633 705 HA ALA 81 HA ALA 81 -6.468 -7.568 7.261 706 HB1 ALA 81 HB1 ALA 81 -6.063 -4.944 8.684 707 HB2 ALA 81 HB2 ALA 81 -5.379 -5.376 7.116 708 HB3 ALA 81 HB3 ALA 81 -4.906 -6.267 8.568 709 H GLU 82 HN GLU 82 -9.085 -7.689 8.358 710 HA GLU 82 HA GLU 82 -9.539 -7.303 11.033 711 HB2 GLU 82 HB2 GLU 82 -11.133 -8.153 9.303 712 HB3 GLU 82 HB1 GLU 82 -10.358 -9.723 9.428 713 HG2 GLU 82 HG2 GLU 82 -12.376 -9.721 10.683 714 HG3 GLU 82 HG1 GLU 82 -11.012 -9.811 11.799 715 H ALA 83 HN ALA 83 -8.326 -10.270 9.562 716 HA ALA 83 HA ALA 83 -6.897 -10.829 12.052 717 HB1 ALA 83 HB1 ALA 83 -7.190 -13.213 11.636 718 HB2 ALA 83 HB2 ALA 83 -8.051 -12.869 10.140 719 HB3 ALA 83 HB3 ALA 83 -8.763 -12.414 11.688 720 H SER 84 HN SER 84 -5.630 -9.270 10.454 721 HA SER 84 HA SER 84 -3.748 -8.851 9.264 722 HB2 SER 84 HB2 SER 84 -1.830 -10.469 9.576 723 HB3 SER 84 HB1 SER 84 -2.616 -9.989 11.070 724 HG SER 84 HG SER 84 -3.854 -12.144 10.176 725 H GLU 85 HN GLU 85 -5.875 -9.926 7.728 726 HA GLU 85 HA GLU 85 -5.269 -11.970 5.947 727 HB2 GLU 85 HB2 GLU 85 -7.470 -10.903 6.276 728 HB3 GLU 85 HB1 GLU 85 -6.887 -9.474 5.448 729 HG2 GLU 85 HG2 GLU 85 -8.222 -10.701 3.945 730 HG3 GLU 85 HG1 GLU 85 -6.546 -10.880 3.424 731 H VAL 86 HN VAL 86 -4.840 -8.434 5.416 732 HA VAL 86 HA VAL 86 -3.498 -8.885 2.937 733 HB VAL 86 HB VAL 86 -3.049 -6.434 2.895 734 HG11 VAL 86 HG11 VAL 86 -5.129 -7.321 1.998 735 HG12 VAL 86 HG12 VAL 86 -5.391 -5.739 2.733 736 HG13 VAL 86 HG13 VAL 86 -5.878 -7.200 3.590 737 HG21 VAL 86 HG21 VAL 86 -4.460 -6.450 5.561 738 HG22 VAL 86 HG22 VAL 86 -4.039 -5.005 4.637 739 HG23 VAL 86 HG23 VAL 86 -2.767 -6.042 5.289 740 H TYR 87 HN TYR 87 -2.418 -9.116 6.051 741 HA TYR 87 HA TYR 87 0.273 -8.173 5.555 742 HB2 TYR 87 HB2 TYR 87 -0.921 -9.650 7.906 743 HB3 TYR 87 HB1 TYR 87 0.760 -9.168 7.818 744 HD1 TYR 87 HD1 TYR 87 -2.607 -7.555 7.402 745 HD2 TYR 87 HD2 TYR 87 1.333 -7.253 8.964 746 HE1 TYR 87 HE1 TYR 87 -3.167 -5.377 8.400 747 HE2 TYR 87 HE2 TYR 87 0.769 -5.078 9.963 748 HH TYR 87 HH TYR 87 -0.838 -3.272 9.718 749 H SER 88 HN SER 88 -1.427 -11.247 5.978 750 HA SER 88 HA SER 88 0.844 -12.857 5.598 751 HB2 SER 88 HB2 SER 88 -1.320 -13.621 6.629 752 HB3 SER 88 HB1 SER 88 -2.031 -13.593 5.013 753 HG SER 88 HG SER 88 -0.912 -15.293 4.441 754 H GLU 89 HN GLU 89 -1.511 -11.418 3.415 755 HA GLU 89 HA GLU 89 -0.803 -12.648 0.994 756 HB2 GLU 89 HB2 GLU 89 -1.713 -9.815 1.531 757 HB3 GLU 89 HB1 GLU 89 -1.628 -10.549 -0.058 758 HG2 GLU 89 HG2 GLU 89 -3.371 -11.521 2.191 759 HG3 GLU 89 HG1 GLU 89 -3.902 -10.449 0.902 760 H ALA 90 HN ALA 90 0.380 -9.715 2.556 761 HA ALA 90 HA ALA 90 2.240 -9.044 0.571 762 HB1 ALA 90 HB1 ALA 90 3.086 -7.408 2.152 763 HB2 ALA 90 HB2 ALA 90 2.205 -8.198 3.461 764 HB3 ALA 90 HB3 ALA 90 1.322 -7.414 2.152 765 H VAL 91 HN VAL 91 2.749 -10.506 3.794 766 HA VAL 91 HA VAL 91 5.534 -10.655 3.507 767 HB VAL 91 HB VAL 91 4.426 -10.752 5.723 768 HG11 VAL 91 HG11 VAL 91 2.603 -12.209 5.220 769 HG12 VAL 91 HG12 VAL 91 3.513 -12.832 6.603 770 HG13 VAL 91 HG13 VAL 91 3.694 -13.578 5.011 771 HG21 VAL 91 HG21 VAL 91 6.743 -11.428 5.577 772 HG22 VAL 91 HG22 VAL 91 6.267 -13.068 5.157 773 HG23 VAL 91 HG23 VAL 91 5.908 -12.432 6.764 774 H LYS 92 HN LYS 92 3.076 -13.020 2.628 775 HA LYS 92 HA LYS 92 5.127 -14.920 2.048 776 HB2 LYS 92 HB2 LYS 92 2.158 -15.046 1.613 777 HB3 LYS 92 HB1 LYS 92 3.241 -16.328 1.085 778 HG2 LYS 92 HG2 LYS 92 2.736 -15.382 3.902 779 HG3 LYS 92 HG1 LYS 92 2.315 -16.946 3.202 780 HD2 LYS 92 HD2 LYS 92 5.134 -15.915 3.710 781 HD3 LYS 92 HD1 LYS 92 4.282 -17.132 4.632 782 HE2 LYS 92 HE2 LYS 92 4.315 -18.684 2.828 783 HE3 LYS 92 HE1 LYS 92 4.863 -17.449 1.696 784 HZ1 LYS 92 HZ1 LYS 92 6.587 -19.017 2.499 785 HZ2 LYS 92 HZ2 LYS 92 6.505 -18.308 4.023 786 HZ3 LYS 92 HZ3 LYS 92 6.956 -17.392 2.646 787 H ARG 93 HN ARG 93 3.936 -12.333 0.326 788 HA ARG 93 HA ARG 93 4.805 -13.544 -2.169 789 HB2 ARG 93 HB2 ARG 93 2.765 -12.009 -1.987 790 HB3 ARG 93 HB1 ARG 93 3.903 -10.695 -1.732 791 HG2 ARG 93 HG2 ARG 93 4.861 -11.048 -3.922 792 HG3 ARG 93 HG1 ARG 93 3.829 -12.458 -4.173 793 HD2 ARG 93 HD2 ARG 93 2.919 -9.608 -3.816 794 HD3 ARG 93 HD1 ARG 93 2.891 -10.540 -5.315 795 HE ARG 93 HE ARG 93 1.402 -12.084 -3.795 796 HH11 ARG 93 HH11 ARG 93 1.287 -8.632 -4.327 797 HH12 ARG 93 HH12 ARG 93 -0.303 -8.400 -3.778 798 HH21 ARG 93 HH21 ARG 93 -0.824 -11.863 -3.077 799 HH22 ARG 93 HH22 ARG 93 -1.566 -10.341 -3.064 800 H ILE 94 HN ILE 94 5.942 -11.742 0.425 801 HA ILE 94 HA ILE 94 8.253 -10.635 -0.899 802 HB ILE 94 HB ILE 94 7.522 -10.878 2.038 803 HG12 ILE 94 HG12 ILE 94 6.122 -9.278 0.841 804 HG13 ILE 94 HG11 ILE 94 7.192 -8.438 1.953 805 HG21 ILE 94 HG21 ILE 94 9.929 -10.899 1.861 806 HG22 ILE 94 HG22 ILE 94 9.374 -9.369 2.539 807 HG23 ILE 94 HG23 ILE 94 9.895 -9.449 0.854 808 HD11 ILE 94 HD11 ILE 94 7.027 -7.236 -0.131 809 HD12 ILE 94 HD12 ILE 94 7.531 -8.659 -1.033 810 HD13 ILE 94 HD13 ILE 94 8.663 -7.864 0.064 811 H LEU 95 HN LEU 95 7.589 -13.263 1.420 812 HA LEU 95 HA LEU 95 10.046 -14.448 0.497 813 HB2 LEU 95 HB2 LEU 95 10.149 -15.580 2.836 814 HB3 LEU 95 HB1 LEU 95 10.691 -13.935 2.645 815 HG LEU 95 HG LEU 95 8.335 -13.285 3.522 816 HD11 LEU 95 HD11 LEU 95 7.277 -15.437 3.383 817 HD12 LEU 95 HD12 LEU 95 7.323 -14.876 5.058 818 HD13 LEU 95 HD13 LEU 95 8.453 -16.111 4.506 819 HD21 LEU 95 HD21 LEU 95 10.385 -12.905 4.753 820 HD22 LEU 95 HD22 LEU 95 10.352 -14.570 5.337 821 HD23 LEU 95 HD23 LEU 95 9.094 -13.439 5.832 Start of MODEL 11 1 H MET 1 H MET 1 12.388 13.185 -2.067 2 HA MET 1 HA MET 1 11.516 14.667 -4.460 3 HB2 MET 1 HB2 MET 1 13.562 13.371 -4.911 4 HB3 MET 1 HB1 MET 1 12.822 11.944 -4.197 5 HG2 MET 1 HG2 MET 1 11.164 11.931 -6.000 6 HG3 MET 1 HG1 MET 1 11.932 13.355 -6.700 7 HE1 MET 1 HE1 MET 1 12.821 10.414 -9.160 8 HE2 MET 1 HE2 MET 1 12.073 12.006 -9.020 9 HE3 MET 1 HE3 MET 1 11.339 10.612 -8.222 10 H ALA 2 HN ALA 2 9.599 13.902 -5.317 11 HA ALA 2 HA ALA 2 7.954 12.380 -3.480 12 HB1 ALA 2 HB1 ALA 2 6.118 12.924 -5.028 13 HB2 ALA 2 HB2 ALA 2 7.277 13.657 -6.135 14 HB3 ALA 2 HB3 ALA 2 6.993 14.381 -4.552 15 H TYR 3 HN TYR 3 7.375 10.354 -3.829 16 HA TYR 3 HA TYR 3 8.990 8.884 -5.722 17 HB2 TYR 3 HB2 TYR 3 7.134 7.947 -3.536 18 HB3 TYR 3 HB1 TYR 3 8.075 6.879 -4.557 19 HD1 TYR 3 HD2 TYR 3 8.890 10.005 -2.647 20 HD2 TYR 3 HD1 TYR 3 9.796 5.917 -3.355 21 HE1 TYR 3 HE2 TYR 3 10.708 10.146 -1.030 22 HE2 TYR 3 HE1 TYR 3 11.624 6.046 -1.716 23 HH TYR 3 HH TYR 3 13.051 7.728 -0.692 24 H PHE 4 HN PHE 4 8.015 7.007 -6.801 25 HA PHE 4 HA PHE 4 5.636 7.767 -8.282 26 HB2 PHE 4 HB2 PHE 4 7.558 5.441 -8.541 27 HB3 PHE 4 HB1 PHE 4 6.216 5.713 -9.638 28 HD1 PHE 4 HD1 PHE 4 6.283 7.667 -11.155 29 HD2 PHE 4 HD2 PHE 4 9.597 6.637 -8.702 30 HE1 PHE 4 HE1 PHE 4 7.740 9.071 -12.545 31 HE2 PHE 4 HE2 PHE 4 11.064 8.041 -10.082 32 HZ PHE 4 HZ PHE 4 10.139 9.262 -12.006 33 H LEU 5 HN LEU 5 3.903 6.091 -8.519 34 HA LEU 5 HA LEU 5 3.713 4.343 -6.142 35 HB2 LEU 5 HB2 LEU 5 2.253 6.536 -6.241 36 HB3 LEU 5 HB1 LEU 5 1.330 5.677 -7.442 37 HG LEU 5 HG LEU 5 0.189 5.606 -5.311 38 HD11 LEU 5 HD11 LEU 5 -0.159 3.647 -6.614 39 HD12 LEU 5 HD12 LEU 5 -0.048 3.216 -4.897 40 HD13 LEU 5 HD13 LEU 5 1.314 2.920 -5.967 41 HD21 LEU 5 HD21 LEU 5 2.030 5.919 -3.796 42 HD22 LEU 5 HD22 LEU 5 2.656 4.314 -4.197 43 HD23 LEU 5 HD23 LEU 5 1.120 4.475 -3.359 44 H ASP 6 HN ASP 6 3.229 2.223 -6.676 45 HA ASP 6 HA ASP 6 1.989 1.676 -9.285 46 HB2 ASP 6 HB2 ASP 6 4.587 1.428 -9.323 47 HB3 ASP 6 HB1 ASP 6 4.302 0.047 -8.275 48 H PHE 7 HN PHE 7 0.972 -0.470 -9.308 49 HA PHE 7 HA PHE 7 0.450 -1.510 -6.586 50 HB2 PHE 7 HB2 PHE 7 -1.497 -1.238 -8.882 51 HB3 PHE 7 HB1 PHE 7 -1.821 -2.129 -7.412 52 HD1 PHE 7 HD1 PHE 7 -1.306 1.216 -8.849 53 HD2 PHE 7 HD2 PHE 7 -2.545 -1.019 -5.458 54 HE1 PHE 7 HE1 PHE 7 -2.313 3.239 -7.886 55 HE2 PHE 7 HE2 PHE 7 -3.545 0.999 -4.484 56 HZ PHE 7 HZ PHE 7 -3.433 3.135 -5.701 57 H ASP 8 HN ASP 8 0.707 -3.649 -6.358 58 HA ASP 8 HA ASP 8 1.560 -5.351 -8.472 59 HB2 ASP 8 HB2 ASP 8 2.173 -5.850 -6.152 60 HB3 ASP 8 HB1 ASP 8 0.479 -6.013 -5.710 61 H GLU 9 HN GLU 9 0.359 -7.218 -9.350 62 HA GLU 9 HA GLU 9 -2.126 -6.588 -10.384 63 HB2 GLU 9 HB2 GLU 9 -2.349 -8.961 -11.008 64 HB3 GLU 9 HB1 GLU 9 -0.740 -8.350 -11.360 65 HG2 GLU 9 HG2 GLU 9 0.224 -9.549 -9.587 66 HG3 GLU 9 HG1 GLU 9 -1.336 -9.817 -8.820 67 H ARG 10 HN ARG 10 -1.379 -8.414 -7.403 68 HA ARG 10 HA ARG 10 -4.097 -9.137 -6.944 69 HB2 ARG 10 HB2 ARG 10 -1.632 -9.204 -5.223 70 HB3 ARG 10 HB1 ARG 10 -3.215 -9.597 -4.568 71 HG2 ARG 10 HG2 ARG 10 -1.981 -11.012 -6.933 72 HG3 ARG 10 HG1 ARG 10 -1.876 -11.590 -5.273 73 HD2 ARG 10 HD2 ARG 10 -4.425 -11.129 -6.802 74 HD3 ARG 10 HD1 ARG 10 -3.669 -12.686 -6.479 75 HE ARG 10 HE ARG 10 -3.940 -11.605 -4.021 76 HH11 ARG 10 HH11 ARG 10 -6.223 -12.343 -6.633 77 HH12 ARG 10 HH12 ARG 10 -7.557 -12.520 -5.585 78 HH21 ARG 10 HH21 ARG 10 -5.759 -11.877 -2.616 79 HH22 ARG 10 HH22 ARG 10 -7.300 -12.259 -3.238 80 H ALA 11 HN ALA 11 -2.033 -6.545 -5.961 81 HA ALA 11 HA ALA 11 -3.790 -5.366 -4.105 82 HB1 ALA 11 HB1 ALA 11 -1.699 -4.039 -5.832 83 HB2 ALA 11 HB2 ALA 11 -1.427 -4.734 -4.233 84 HB3 ALA 11 HB3 ALA 11 -2.472 -3.324 -4.421 85 H LEU 12 HN LEU 12 -3.434 -5.052 -7.609 86 HA LEU 12 HA LEU 12 -5.317 -2.978 -7.942 87 HB2 LEU 12 HB2 LEU 12 -4.175 -5.038 -9.782 88 HB3 LEU 12 HB1 LEU 12 -5.440 -3.961 -10.319 89 HG LEU 12 HG LEU 12 -2.749 -3.058 -9.283 90 HD11 LEU 12 HD11 LEU 12 -2.531 -4.280 -11.388 91 HD12 LEU 12 HD12 LEU 12 -2.255 -2.556 -11.631 92 HD13 LEU 12 HD13 LEU 12 -3.792 -3.280 -12.107 93 HD21 LEU 12 HD21 LEU 12 -4.526 -1.388 -8.968 94 HD22 LEU 12 HD22 LEU 12 -5.002 -1.568 -10.646 95 HD23 LEU 12 HD23 LEU 12 -3.424 -0.890 -10.252 96 H LYS 13 HN LYS 13 -5.570 -6.461 -8.050 97 HA LYS 13 HA LYS 13 -8.235 -6.624 -8.878 98 HB2 LYS 13 HB2 LYS 13 -6.543 -8.498 -7.233 99 HB3 LYS 13 HB1 LYS 13 -8.147 -8.912 -7.831 100 HG2 LYS 13 HG2 LYS 13 -7.457 -8.816 -10.070 101 HG3 LYS 13 HG1 LYS 13 -5.966 -7.980 -9.651 102 HD2 LYS 13 HD2 LYS 13 -5.110 -9.917 -8.591 103 HD3 LYS 13 HD1 LYS 13 -6.622 -10.806 -8.834 104 HE2 LYS 13 HE2 LYS 13 -6.339 -10.606 -11.277 105 HE3 LYS 13 HE1 LYS 13 -4.853 -9.701 -11.033 106 HZ1 LYS 13 HZ1 LYS 13 -3.778 -11.671 -10.195 107 HZ2 LYS 13 HZ2 LYS 13 -4.546 -12.043 -11.627 108 HZ3 LYS 13 HZ3 LYS 13 -5.246 -12.521 -10.179 109 H GLU 14 HN GLU 14 -6.824 -6.529 -5.645 110 HA GLU 14 HA GLU 14 -9.285 -6.612 -4.278 111 HB2 GLU 14 HB2 GLU 14 -6.574 -5.614 -3.392 112 HB3 GLU 14 HB1 GLU 14 -7.929 -5.961 -2.323 113 HG2 GLU 14 HG2 GLU 14 -6.614 -7.969 -4.127 114 HG3 GLU 14 HG1 GLU 14 -6.204 -7.808 -2.435 115 H TRP 15 HN TRP 15 -7.228 -3.978 -5.391 116 HA TRP 15 HA TRP 15 -8.517 -1.779 -4.234 117 HB2 TRP 15 HB2 TRP 15 -6.301 -1.690 -5.292 118 HB3 TRP 15 HB1 TRP 15 -7.023 -2.019 -6.855 119 HD1 TRP 15 HD1 TRP 15 -8.092 0.025 -8.144 120 HE1 TRP 15 HE1 TRP 15 -7.948 2.570 -7.797 121 HE3 TRP 15 HE3 TRP 15 -6.159 0.078 -3.420 122 HZ2 TRP 15 HZ2 TRP 15 -7.103 4.360 -5.787 123 HZ3 TRP 15 HZ3 TRP 15 -5.699 2.247 -2.358 124 HH2 TRP 15 HH2 TRP 15 -6.162 4.340 -3.516 125 H ARG 16 HN ARG 16 -9.078 -3.407 -7.306 126 HA ARG 16 HA ARG 16 -11.186 -1.658 -8.133 127 HB2 ARG 16 HB2 ARG 16 -10.493 -4.437 -9.122 128 HB3 ARG 16 HB1 ARG 16 -11.593 -3.323 -9.922 129 HG2 ARG 16 HG2 ARG 16 -9.771 -1.766 -10.321 130 HG3 ARG 16 HG1 ARG 16 -8.663 -2.809 -9.435 131 HD2 ARG 16 HD2 ARG 16 -8.301 -3.184 -11.764 132 HD3 ARG 16 HD1 ARG 16 -9.133 -4.598 -11.124 133 HE ARG 16 HE ARG 16 -10.948 -2.689 -12.151 134 HH11 ARG 16 HH11 ARG 16 -8.772 -5.326 -13.153 135 HH12 ARG 16 HH12 ARG 16 -9.525 -5.528 -14.657 136 HH21 ARG 16 HH21 ARG 16 -11.956 -3.009 -14.255 137 HH22 ARG 16 HH22 ARG 16 -11.312 -4.172 -15.320 138 H LYS 17 HN LYS 17 -10.984 -4.519 -6.219 139 HA LYS 17 HA LYS 17 -13.768 -5.183 -6.135 140 HB2 LYS 17 HB2 LYS 17 -11.989 -6.777 -5.537 141 HB3 LYS 17 HB1 LYS 17 -11.515 -5.747 -4.200 142 HG2 LYS 17 HG2 LYS 17 -13.793 -6.127 -3.230 143 HG3 LYS 17 HG1 LYS 17 -14.059 -7.328 -4.495 144 HD2 LYS 17 HD2 LYS 17 -12.097 -8.566 -3.739 145 HD3 LYS 17 HD1 LYS 17 -11.810 -7.363 -2.485 146 HE2 LYS 17 HE2 LYS 17 -12.899 -9.217 -1.456 147 HE3 LYS 17 HE1 LYS 17 -14.062 -7.896 -1.581 148 HZ1 LYS 17 HZ1 LYS 17 -15.018 -10.029 -2.175 149 HZ2 LYS 17 HZ2 LYS 17 -13.903 -10.230 -3.396 150 HZ3 LYS 17 HZ3 LYS 17 -15.053 -9.003 -3.515 151 H LEU 18 HN LEU 18 -11.617 -3.096 -4.298 152 HA LEU 18 HA LEU 18 -13.269 -2.470 -2.145 153 HB2 LEU 18 HB2 LEU 18 -10.828 -1.420 -3.311 154 HB3 LEU 18 HB1 LEU 18 -11.820 -0.175 -2.586 155 HG LEU 18 HG LEU 18 -11.758 -1.348 -0.443 156 HD11 LEU 18 HD11 LEU 18 -10.273 -3.244 -0.099 157 HD12 LEU 18 HD12 LEU 18 -9.936 -3.304 -1.833 158 HD13 LEU 18 HD13 LEU 18 -11.564 -3.637 -1.236 159 HD21 LEU 18 HD21 LEU 18 -9.406 -0.962 0.038 160 HD22 LEU 18 HD22 LEU 18 -10.122 0.315 -0.944 161 HD23 LEU 18 HD23 LEU 18 -9.073 -0.891 -1.695 162 H GLY 19 HN GLY 19 -14.413 -0.651 -1.663 163 HA2 GLY 19 HA2 GLY 19 -16.172 0.204 -3.741 164 HA3 GLY 19 HA1 GLY 19 -16.210 0.717 -2.057 165 H SER 20 HN SER 20 -16.588 2.436 -4.246 166 HA SER 20 HA SER 20 -14.369 3.685 -5.286 167 HB2 SER 20 HB2 SER 20 -16.149 5.573 -5.516 168 HB3 SER 20 HB1 SER 20 -16.368 4.045 -6.377 169 HG SER 20 HG SER 20 -18.244 4.723 -5.232 170 H THR 21 HN THR 21 -16.353 4.681 -2.568 171 HA THR 21 HA THR 21 -15.074 7.045 -1.868 172 HB THR 21 HB THR 21 -16.431 5.112 0.022 173 HG1 THR 21 HG1 THR 21 -17.876 7.161 -1.150 174 HG21 THR 21 HG21 THR 21 -16.214 8.133 0.019 175 HG22 THR 21 HG22 THR 21 -15.365 7.040 1.110 176 HG23 THR 21 HG23 THR 21 -17.123 7.177 1.189 177 H VAL 22 HN VAL 22 -14.485 3.727 -0.852 178 HA VAL 22 HA VAL 22 -12.596 4.331 1.196 179 HB VAL 22 HB VAL 22 -13.012 1.761 -0.359 180 HG11 VAL 22 HG11 VAL 22 -11.905 0.649 1.510 181 HG12 VAL 22 HG12 VAL 22 -11.599 2.214 2.263 182 HG13 VAL 22 HG13 VAL 22 -10.837 1.813 0.725 183 HG21 VAL 22 HG21 VAL 22 -14.104 2.599 2.318 184 HG22 VAL 22 HG22 VAL 22 -14.339 1.025 1.560 185 HG23 VAL 22 HG23 VAL 22 -15.024 2.474 0.823 186 H ARG 23 HN ARG 23 -12.311 3.216 -2.145 187 HA ARG 23 HA ARG 23 -9.502 3.240 -1.991 188 HB2 ARG 23 HB2 ARG 23 -9.475 2.916 -4.439 189 HB3 ARG 23 HB1 ARG 23 -10.434 1.739 -3.562 190 HG2 ARG 23 HG2 ARG 23 -12.387 2.529 -4.338 191 HG3 ARG 23 HG1 ARG 23 -11.787 4.109 -4.807 192 HD2 ARG 23 HD2 ARG 23 -10.391 2.998 -6.501 193 HD3 ARG 23 HD1 ARG 23 -11.010 1.423 -6.011 194 HE ARG 23 HE ARG 23 -12.569 3.551 -7.319 195 HH11 ARG 23 HH11 ARG 23 -12.154 0.087 -6.523 196 HH12 ARG 23 HH12 ARG 23 -13.278 -0.442 -7.683 197 HH21 ARG 23 HH21 ARG 23 -14.089 2.747 -8.969 198 HH22 ARG 23 HH22 ARG 23 -14.380 1.087 -9.118 199 H GLU 24 HN GLU 24 -11.808 5.673 -3.045 200 HA GLU 24 HA GLU 24 -9.952 7.387 -4.228 201 HB2 GLU 24 HB2 GLU 24 -12.519 7.954 -2.804 202 HB3 GLU 24 HB1 GLU 24 -11.568 9.248 -3.549 203 HG2 GLU 24 HG2 GLU 24 -11.766 7.867 -5.688 204 HG3 GLU 24 HG1 GLU 24 -13.003 6.948 -4.830 205 H GLN 25 HN GLN 25 -10.933 7.107 -0.814 206 HA GLN 25 HA GLN 25 -9.235 9.257 -0.129 207 HB2 GLN 25 HB2 GLN 25 -10.895 7.351 1.462 208 HB3 GLN 25 HB1 GLN 25 -9.586 8.225 2.248 209 HG2 GLN 25 HG2 GLN 25 -11.757 9.340 2.513 210 HG3 GLN 25 HG1 GLN 25 -10.564 10.343 1.701 211 HE21 GLN 25 HE21 GLN 25 -13.560 8.685 1.443 212 HE22 GLN 25 HE22 GLN 25 -14.012 9.296 -0.106 213 H LEU 26 HN LEU 26 -8.839 5.794 -0.225 214 HA LEU 26 HA LEU 26 -6.305 5.693 1.004 215 HB2 LEU 26 HB2 LEU 26 -7.467 3.984 -1.174 216 HB3 LEU 26 HB1 LEU 26 -5.943 3.637 -0.388 217 HG LEU 26 HG LEU 26 -8.657 3.636 0.972 218 HD11 LEU 26 HD11 LEU 26 -8.331 1.266 1.149 219 HD12 LEU 26 HD12 LEU 26 -6.802 1.391 0.284 220 HD13 LEU 26 HD13 LEU 26 -8.315 1.770 -0.541 221 HD21 LEU 26 HD21 LEU 26 -6.904 4.349 2.520 222 HD22 LEU 26 HD22 LEU 26 -5.902 2.991 2.026 223 HD23 LEU 26 HD23 LEU 26 -7.415 2.697 2.882 224 H LYS 27 HN LYS 27 -7.230 6.164 -2.398 225 HA LYS 27 HA LYS 27 -4.711 6.377 -3.540 226 HB2 LYS 27 HB2 LYS 27 -6.816 6.369 -4.806 227 HB3 LYS 27 HB1 LYS 27 -7.173 7.985 -4.214 228 HG2 LYS 27 HG2 LYS 27 -5.038 8.726 -5.259 229 HG3 LYS 27 HG1 LYS 27 -4.925 7.147 -6.046 230 HD2 LYS 27 HD2 LYS 27 -5.903 8.600 -7.658 231 HD3 LYS 27 HD1 LYS 27 -7.239 7.660 -6.993 232 HE2 LYS 27 HE2 LYS 27 -7.846 9.489 -5.520 233 HE3 LYS 27 HE1 LYS 27 -6.457 10.421 -6.079 234 HZ1 LYS 27 HZ1 LYS 27 -8.510 11.116 -7.137 235 HZ2 LYS 27 HZ2 LYS 27 -8.765 9.585 -7.761 236 HZ3 LYS 27 HZ3 LYS 27 -7.430 10.504 -8.271 237 H LYS 28 HN LYS 28 -6.667 8.836 -1.974 238 HA LYS 28 HA LYS 28 -4.978 11.039 -2.321 239 HB2 LYS 28 HB2 LYS 28 -6.894 10.464 -0.060 240 HB3 LYS 28 HB1 LYS 28 -6.121 12.018 -0.357 241 HG2 LYS 28 HG2 LYS 28 -7.231 12.229 -2.462 242 HG3 LYS 28 HG1 LYS 28 -7.925 10.617 -2.298 243 HD2 LYS 28 HD2 LYS 28 -9.151 11.371 -0.298 244 HD3 LYS 28 HD1 LYS 28 -8.467 12.986 -0.515 245 HE2 LYS 28 HE2 LYS 28 -9.514 13.175 -2.677 246 HE3 LYS 28 HE1 LYS 28 -10.128 11.530 -2.543 247 HZ1 LYS 28 HZ1 LYS 28 -11.774 13.212 -2.063 248 HZ2 LYS 28 HZ2 LYS 28 -10.901 13.749 -0.726 249 HZ3 LYS 28 HZ3 LYS 28 -11.531 12.165 -0.775 250 H LYS 29 HN LYS 29 -5.158 8.699 0.334 251 HA LYS 29 HA LYS 29 -3.058 9.750 1.842 252 HB2 LYS 29 HB2 LYS 29 -4.522 7.219 1.820 253 HB3 LYS 29 HB1 LYS 29 -2.866 7.087 2.399 254 HG2 LYS 29 HG2 LYS 29 -4.387 7.474 4.248 255 HG3 LYS 29 HG1 LYS 29 -3.305 8.851 4.038 256 HD2 LYS 29 HD2 LYS 29 -5.154 9.942 2.743 257 HD3 LYS 29 HD1 LYS 29 -6.200 8.621 3.266 258 HE2 LYS 29 HE2 LYS 29 -6.502 10.446 4.813 259 HE3 LYS 29 HE1 LYS 29 -5.589 9.136 5.589 260 HZ1 LYS 29 HZ1 LYS 29 -3.582 10.325 5.348 261 HZ2 LYS 29 HZ2 LYS 29 -4.658 11.423 6.009 262 HZ3 LYS 29 HZ3 LYS 29 -4.252 11.511 4.380 263 H LEU 30 HN LEU 30 -3.027 7.514 -0.791 264 HA LEU 30 HA LEU 30 -0.290 6.886 -0.655 265 HB2 LEU 30 HB2 LEU 30 -2.133 6.916 -3.023 266 HB3 LEU 30 HB1 LEU 30 -0.537 6.192 -3.008 267 HG LEU 30 HG LEU 30 -2.908 5.324 -1.368 268 HD11 LEU 30 HD11 LEU 30 -3.111 4.795 -3.730 269 HD12 LEU 30 HD12 LEU 30 -2.852 3.338 -2.776 270 HD13 LEU 30 HD13 LEU 30 -1.524 4.033 -3.704 271 HD21 LEU 30 HD21 LEU 30 -1.474 3.425 -0.737 272 HD22 LEU 30 HD22 LEU 30 -0.871 4.963 -0.139 273 HD23 LEU 30 HD23 LEU 30 -0.109 4.203 -1.540 274 H VAL 31 HN VAL 31 -2.029 9.403 -2.458 275 HA VAL 31 HA VAL 31 0.370 10.231 -3.724 276 HB VAL 31 HB VAL 31 -1.863 10.625 -4.774 277 HG11 VAL 31 HG11 VAL 31 -2.166 12.855 -2.794 278 HG12 VAL 31 HG12 VAL 31 -3.096 11.364 -2.845 279 HG13 VAL 31 HG13 VAL 31 -3.227 12.526 -4.170 280 HG21 VAL 31 HG21 VAL 31 -0.140 13.056 -4.431 281 HG22 VAL 31 HG22 VAL 31 -1.340 12.834 -5.701 282 HG23 VAL 31 HG23 VAL 31 0.072 11.778 -5.629 283 H GLU 32 HN GLU 32 -1.308 11.354 -0.813 284 HA GLU 32 HA GLU 32 0.425 13.556 -0.460 285 HB2 GLU 32 HB2 GLU 32 -0.376 13.626 1.897 286 HB3 GLU 32 HB1 GLU 32 -1.693 13.543 0.735 287 HG2 GLU 32 HG2 GLU 32 -2.113 11.308 1.223 288 HG3 GLU 32 HG1 GLU 32 -0.619 11.125 2.136 289 H VAL 33 HN VAL 33 0.520 10.212 0.664 290 HA VAL 33 HA VAL 33 2.676 10.551 2.379 291 HB VAL 33 HB VAL 33 1.001 8.571 2.245 292 HG11 VAL 33 HG11 VAL 33 3.134 7.441 0.465 293 HG12 VAL 33 HG12 VAL 33 1.472 7.807 0.019 294 HG13 VAL 33 HG13 VAL 33 1.807 6.534 1.196 295 HG21 VAL 33 HG21 VAL 33 2.630 7.084 3.418 296 HG22 VAL 33 HG22 VAL 33 2.572 8.745 3.999 297 HG23 VAL 33 HG23 VAL 33 3.892 8.231 2.955 298 H LEU 34 HN LEU 34 2.572 10.128 -1.025 299 HA LEU 34 HA LEU 34 5.049 9.092 -1.641 300 HB2 LEU 34 HB2 LEU 34 3.476 11.189 -3.116 301 HB3 LEU 34 HB1 LEU 34 4.928 10.455 -3.753 302 HG LEU 34 HG LEU 34 2.376 8.981 -3.102 303 HD11 LEU 34 HD11 LEU 34 2.127 8.776 -5.514 304 HD12 LEU 34 HD12 LEU 34 3.584 9.733 -5.761 305 HD13 LEU 34 HD13 LEU 34 2.156 10.475 -5.038 306 HD21 LEU 34 HD21 LEU 34 4.966 8.081 -4.353 307 HD22 LEU 34 HD22 LEU 34 3.485 7.147 -4.360 308 HD23 LEU 34 HD23 LEU 34 4.274 7.521 -2.826 309 H GLU 35 HN GLU 35 4.420 12.301 -0.375 310 HA GLU 35 HA GLU 35 6.846 13.481 -1.275 311 HB2 GLU 35 HB2 GLU 35 6.486 15.216 0.373 312 HB3 GLU 35 HB1 GLU 35 4.950 14.826 -0.382 313 HG2 GLU 35 HG2 GLU 35 4.259 13.576 1.550 314 HG3 GLU 35 HG1 GLU 35 5.848 13.762 2.285 315 H SER 36 HN SER 36 6.078 11.360 1.374 316 HA SER 36 HA SER 36 8.797 10.782 1.937 317 HB2 SER 36 HB2 SER 36 8.625 12.868 3.255 318 HB3 SER 36 HB1 SER 36 7.168 12.259 4.036 319 HG SER 36 HG SER 36 8.245 10.994 5.193 320 HA PRO 37 HA PRO 37 5.651 7.595 2.759 321 HB2 PRO 37 HB2 PRO 37 6.367 5.760 0.966 322 HB3 PRO 37 HB1 PRO 37 5.440 7.192 0.510 323 HG2 PRO 37 HG2 PRO 37 8.361 6.666 0.196 324 HG3 PRO 37 HG1 PRO 37 7.234 7.428 -0.937 325 HD2 PRO 37 HD2 PRO 37 8.954 8.808 0.724 326 HD3 PRO 37 HD1 PRO 37 7.444 9.461 0.042 327 H ARG 38 HN ARG 38 9.021 7.637 3.037 328 HA ARG 38 HA ARG 38 9.210 4.964 4.103 329 HB2 ARG 38 HB2 ARG 38 11.621 5.609 4.645 330 HB3 ARG 38 HB1 ARG 38 11.172 5.603 2.955 331 HG2 ARG 38 HG2 ARG 38 12.550 7.489 3.231 332 HG3 ARG 38 HG1 ARG 38 10.921 8.122 3.152 333 HD2 ARG 38 HD2 ARG 38 12.165 9.281 4.887 334 HD3 ARG 38 HD1 ARG 38 10.881 8.314 5.603 335 HE ARG 38 HE ARG 38 13.520 7.090 5.508 336 HH11 ARG 38 HH11 ARG 38 11.177 8.885 7.443 337 HH12 ARG 38 HH12 ARG 38 11.875 8.500 8.942 338 HH21 ARG 38 HH21 ARG 38 14.473 6.527 7.608 339 HH22 ARG 38 HH22 ARG 38 13.683 7.047 9.038 340 H ILE 39 HN ILE 39 7.317 6.140 5.461 341 HA ILE 39 HA ILE 39 8.288 7.430 7.848 342 HB ILE 39 HB ILE 39 5.474 6.597 7.075 343 HG12 ILE 39 HG12 ILE 39 6.791 9.306 7.090 344 HG13 ILE 39 HG11 ILE 39 6.586 8.311 5.658 345 HG21 ILE 39 HG21 ILE 39 6.419 8.366 9.337 346 HG22 ILE 39 HG22 ILE 39 5.727 6.753 9.518 347 HG23 ILE 39 HG23 ILE 39 4.734 8.074 8.900 348 HD11 ILE 39 HD11 ILE 39 4.397 9.484 7.348 349 HD12 ILE 39 HD12 ILE 39 4.168 8.465 5.914 350 HD13 ILE 39 HD13 ILE 39 4.945 10.042 5.759 351 H GLU 40 HN GLU 40 9.308 6.209 9.104 352 HA GLU 40 HA GLU 40 9.051 3.467 9.419 353 HB2 GLU 40 HB2 GLU 40 10.582 3.820 11.403 354 HB3 GLU 40 HB1 GLU 40 11.145 4.370 9.834 355 HG2 GLU 40 HG2 GLU 40 10.354 6.677 10.497 356 HG3 GLU 40 HG1 GLU 40 10.121 6.027 12.118 357 H ALA 41 HN ALA 41 7.381 6.001 11.088 358 HA ALA 41 HA ALA 41 6.448 4.441 13.257 359 HB1 ALA 41 HB1 ALA 41 4.734 6.171 13.525 360 HB2 ALA 41 HB2 ALA 41 5.144 6.828 11.942 361 HB3 ALA 41 HB3 ALA 41 6.320 6.890 13.255 362 H ASN 42 HN ASN 42 5.750 4.326 9.942 363 HA ASN 42 HA ASN 42 3.223 2.867 10.384 364 HB2 ASN 42 HB2 ASN 42 4.213 4.310 7.906 365 HB3 ASN 42 HB1 ASN 42 2.758 3.331 7.977 366 HD21 ASN 42 HD21 ASN 42 3.008 6.088 7.242 367 HD22 ASN 42 HD22 ASN 42 2.039 6.983 8.348 368 H LYS 43 HN LYS 43 6.334 2.086 10.251 369 HA LYS 43 HA LYS 43 6.426 0.481 7.937 370 HB2 LYS 43 HB2 LYS 43 8.374 1.605 8.629 371 HB3 LYS 43 HB1 LYS 43 8.230 1.001 10.278 372 HG2 LYS 43 HG2 LYS 43 8.583 -1.171 9.520 373 HG3 LYS 43 HG1 LYS 43 8.744 -0.614 7.842 374 HD2 LYS 43 HD2 LYS 43 10.726 0.690 8.474 375 HD3 LYS 43 HD1 LYS 43 10.536 0.188 10.155 376 HE2 LYS 43 HE2 LYS 43 11.064 -1.649 7.827 377 HE3 LYS 43 HE1 LYS 43 12.277 -1.111 8.987 378 HZ1 LYS 43 HZ1 LYS 43 9.880 -2.783 9.598 379 HZ2 LYS 43 HZ2 LYS 43 10.953 -2.211 10.746 380 HZ3 LYS 43 HZ3 LYS 43 11.480 -3.293 9.570 381 H LEU 44 HN LEU 44 6.409 -1.693 7.867 382 HA LEU 44 HA LEU 44 5.159 -3.142 10.046 383 HB2 LEU 44 HB2 LEU 44 6.014 -3.992 7.289 384 HB3 LEU 44 HB1 LEU 44 5.269 -5.075 8.444 385 HG LEU 44 HG LEU 44 3.973 -2.657 7.174 386 HD11 LEU 44 HD11 LEU 44 2.589 -4.317 6.047 387 HD12 LEU 44 HD12 LEU 44 3.503 -5.612 6.814 388 HD13 LEU 44 HD13 LEU 44 4.290 -4.552 5.645 389 HD21 LEU 44 HD21 LEU 44 3.154 -3.040 9.422 390 HD22 LEU 44 HD22 LEU 44 2.876 -4.743 9.032 391 HD23 LEU 44 HD23 LEU 44 1.943 -3.482 8.213 392 H ARG 45 HN ARG 45 6.104 -4.973 11.016 393 HA ARG 45 HA ARG 45 8.984 -4.831 11.140 394 HB2 ARG 45 HB2 ARG 45 8.719 -6.111 13.184 395 HB3 ARG 45 HB1 ARG 45 7.714 -4.670 13.213 396 HG2 ARG 45 HG2 ARG 45 5.790 -6.164 12.532 397 HG3 ARG 45 HG1 ARG 45 6.862 -7.525 12.836 398 HD2 ARG 45 HD2 ARG 45 5.523 -7.128 14.795 399 HD3 ARG 45 HD1 ARG 45 7.195 -6.692 15.143 400 HE ARG 45 HE ARG 45 5.735 -4.447 14.221 401 HH11 ARG 45 HH11 ARG 45 6.204 -6.429 17.112 402 HH12 ARG 45 HH12 ARG 45 5.754 -5.181 18.183 403 HH21 ARG 45 HH21 ARG 45 5.114 -2.781 15.669 404 HH22 ARG 45 HH22 ARG 45 5.107 -3.063 17.361 405 H GLY 46 HN GLY 46 10.236 -6.321 10.224 406 HA2 GLY 46 HA2 GLY 46 10.959 -8.399 9.481 407 HA3 GLY 46 HA1 GLY 46 9.422 -9.085 9.996 408 H MET 47 HN MET 47 9.121 -6.375 8.083 409 HA MET 47 HA MET 47 8.649 -8.006 5.689 410 HB2 MET 47 HB2 MET 47 7.107 -5.605 6.644 411 HB3 MET 47 HB1 MET 47 6.829 -6.421 5.118 412 HG2 MET 47 HG2 MET 47 6.499 -7.717 7.823 413 HG3 MET 47 HG1 MET 47 5.187 -7.032 6.862 414 HE1 MET 47 HE1 MET 47 4.907 -9.414 3.842 415 HE2 MET 47 HE2 MET 47 5.717 -7.850 3.928 416 HE3 MET 47 HE3 MET 47 4.171 -8.093 4.745 417 HA PRO 48 HA PRO 48 11.924 -5.377 4.324 418 HB2 PRO 48 HB2 PRO 48 11.735 -5.978 1.642 419 HB3 PRO 48 HB1 PRO 48 12.575 -6.976 2.832 420 HG2 PRO 48 HG2 PRO 48 9.829 -7.288 1.698 421 HG3 PRO 48 HG1 PRO 48 11.036 -8.533 2.066 422 HD2 PRO 48 HD2 PRO 48 8.932 -8.054 3.674 423 HD3 PRO 48 HD1 PRO 48 10.515 -8.543 4.320 424 H ASP 49 HN ASP 49 11.179 -3.371 4.694 425 HA ASP 49 HA ASP 49 10.709 -1.206 4.181 426 HB2 ASP 49 HB2 ASP 49 10.934 -2.244 1.349 427 HB3 ASP 49 HB1 ASP 49 10.621 -0.556 1.713 428 H CYS 50 HN CYS 50 8.517 -3.028 4.733 429 HA CYS 50 HA CYS 50 6.476 -1.958 2.951 430 HB2 CYS 50 HB2 CYS 50 6.286 -4.167 4.992 431 HB3 CYS 50 HB1 CYS 50 5.048 -3.713 3.819 432 HG CYS 50 HG CYS 50 8.035 -4.521 2.511 433 H TYR 51 HN TYR 51 4.797 -0.796 3.703 434 HA TYR 51 HA TYR 51 4.773 0.072 6.493 435 HB2 TYR 51 HB2 TYR 51 4.643 1.890 4.055 436 HB3 TYR 51 HB1 TYR 51 4.495 2.405 5.725 437 HD1 TYR 51 HD1 TYR 51 6.856 1.094 3.192 438 HD2 TYR 51 HD2 TYR 51 6.455 2.832 7.036 439 HE1 TYR 51 HE1 TYR 51 9.285 1.478 3.262 440 HE2 TYR 51 HE2 TYR 51 8.884 3.215 7.115 441 HH TYR 51 HH TYR 51 10.913 2.728 4.334 442 H LYS 52 HN LYS 52 2.622 0.970 7.022 443 HA LYS 52 HA LYS 52 0.584 0.267 5.058 444 HB2 LYS 52 HB2 LYS 52 -0.805 -0.944 6.592 445 HB3 LYS 52 HB1 LYS 52 0.790 -1.651 6.629 446 HG2 LYS 52 HG2 LYS 52 -0.403 0.152 8.758 447 HG3 LYS 52 HG1 LYS 52 -0.255 -1.597 8.854 448 HD2 LYS 52 HD2 LYS 52 2.250 -1.249 8.622 449 HD3 LYS 52 HD1 LYS 52 1.941 0.464 8.850 450 HE2 LYS 52 HE2 LYS 52 1.278 -1.741 10.808 451 HE3 LYS 52 HE1 LYS 52 2.605 -0.598 10.942 452 HZ1 LYS 52 HZ1 LYS 52 0.933 1.189 11.091 453 HZ2 LYS 52 HZ2 LYS 52 0.853 0.088 12.340 454 HZ3 LYS 52 HZ3 LYS 52 -0.305 0.035 11.133 455 H ILE 53 HN ILE 53 -1.171 1.471 4.962 456 HA ILE 53 HA ILE 53 -1.459 3.634 6.923 457 HB ILE 53 HB ILE 53 -2.311 3.677 3.992 458 HG12 ILE 53 HG12 ILE 53 -0.121 5.222 5.407 459 HG13 ILE 53 HG11 ILE 53 0.119 3.927 4.240 460 HG21 ILE 53 HG21 ILE 53 -2.924 6.041 4.386 461 HG22 ILE 53 HG22 ILE 53 -2.538 5.859 6.090 462 HG23 ILE 53 HG23 ILE 53 -3.873 4.956 5.393 463 HD11 ILE 53 HD11 ILE 53 -0.938 5.324 2.508 464 HD12 ILE 53 HD12 ILE 53 0.495 6.078 3.207 465 HD13 ILE 53 HD13 ILE 53 -1.112 6.623 3.688 466 H LYS 54 HN LYS 54 -3.546 3.936 7.794 467 HA LYS 54 HA LYS 54 -5.438 1.866 7.081 468 HB2 LYS 54 HB2 LYS 54 -5.485 3.451 9.616 469 HB3 LYS 54 HB1 LYS 54 -6.268 1.972 9.204 470 HG2 LYS 54 HG2 LYS 54 -4.635 1.306 10.764 471 HG3 LYS 54 HG1 LYS 54 -3.988 0.838 9.195 472 HD2 LYS 54 HD2 LYS 54 -2.240 1.842 10.563 473 HD3 LYS 54 HD1 LYS 54 -2.614 2.880 9.184 474 HE2 LYS 54 HE2 LYS 54 -4.017 4.303 10.624 475 HE3 LYS 54 HE1 LYS 54 -3.656 3.261 11.997 476 HZ1 LYS 54 HZ1 LYS 54 -2.311 5.263 11.975 477 HZ2 LYS 54 HZ2 LYS 54 -1.690 4.883 10.475 478 HZ3 LYS 54 HZ3 LYS 54 -1.331 3.903 11.797 479 H LEU 55 HN LEU 55 -7.444 2.578 6.755 480 HA LEU 55 HA LEU 55 -7.757 5.458 6.297 481 HB2 LEU 55 HB2 LEU 55 -8.287 3.670 4.521 482 HB3 LEU 55 HB1 LEU 55 -9.684 3.273 5.497 483 HG LEU 55 HG LEU 55 -10.534 5.637 5.127 484 HD11 LEU 55 HD11 LEU 55 -8.299 6.612 4.791 485 HD12 LEU 55 HD12 LEU 55 -9.546 7.027 3.640 486 HD13 LEU 55 HD13 LEU 55 -8.295 5.861 3.182 487 HD21 LEU 55 HD21 LEU 55 -9.888 4.062 2.652 488 HD22 LEU 55 HD22 LEU 55 -11.128 5.303 2.815 489 HD23 LEU 55 HD23 LEU 55 -11.268 3.789 3.714 490 H ARG 56 HN ARG 56 -8.797 6.570 7.837 491 HA ARG 56 HA ARG 56 -9.880 5.239 10.137 492 HB2 ARG 56 HB2 ARG 56 -10.032 8.159 9.373 493 HB3 ARG 56 HB1 ARG 56 -10.399 7.490 10.950 494 HG2 ARG 56 HG2 ARG 56 -7.714 7.505 9.603 495 HG3 ARG 56 HG1 ARG 56 -8.221 8.550 10.927 496 HD2 ARG 56 HD2 ARG 56 -7.918 5.547 11.013 497 HD3 ARG 56 HD1 ARG 56 -6.829 6.713 11.734 498 HE ARG 56 HE ARG 56 -9.604 6.229 12.618 499 HH11 ARG 56 HH11 ARG 56 -6.364 7.454 13.340 500 HH12 ARG 56 HH12 ARG 56 -6.539 7.303 15.034 501 HH21 ARG 56 HH21 ARG 56 -9.815 6.036 15.000 502 HH22 ARG 56 HH22 ARG 56 -8.469 6.477 15.957 503 H SER 57 HN SER 57 -11.132 6.796 7.336 504 HA SER 57 HA SER 57 -13.780 7.159 8.045 505 HB2 SER 57 HB2 SER 57 -12.694 6.572 5.299 506 HB3 SER 57 HB1 SER 57 -14.141 7.501 5.710 507 HG SER 57 HG SER 57 -12.966 9.162 6.001 508 H SER 58 HN SER 58 -12.163 4.307 6.680 509 HA SER 58 HA SER 58 -14.777 2.964 6.809 510 HB2 SER 58 HB2 SER 58 -12.682 2.504 4.707 511 HB3 SER 58 HB1 SER 58 -14.305 1.810 4.760 512 HG SER 58 HG SER 58 -15.164 3.850 4.478 513 H GLY 59 HN GLY 59 -11.501 2.751 7.885 514 HA2 GLY 59 HA2 GLY 59 -10.683 1.202 9.390 515 HA3 GLY 59 HA1 GLY 59 -12.099 0.204 9.107 516 H TYR 60 HN TYR 60 -10.316 1.310 6.381 517 HA TYR 60 HA TYR 60 -9.543 -1.445 5.875 518 HB2 TYR 60 HB2 TYR 60 -9.835 0.947 4.069 519 HB3 TYR 60 HB1 TYR 60 -8.967 -0.491 3.546 520 HD1 TYR 60 HD1 TYR 60 -12.259 0.363 5.145 521 HD2 TYR 60 HD2 TYR 60 -10.173 -2.030 2.317 522 HE1 TYR 60 HE1 TYR 60 -14.381 -0.659 4.456 523 HE2 TYR 60 HE2 TYR 60 -12.292 -3.060 1.623 524 HH TYR 60 HH TYR 60 -15.330 -1.842 2.454 525 H ARG 61 HN ARG 61 -7.463 -1.921 4.993 526 HA ARG 61 HA ARG 61 -5.334 -0.154 5.965 527 HB2 ARG 61 HB2 ARG 61 -5.558 -3.159 6.124 528 HB3 ARG 61 HB1 ARG 61 -4.008 -2.355 6.163 529 HG2 ARG 61 HG2 ARG 61 -4.602 -2.919 8.384 530 HG3 ARG 61 HG1 ARG 61 -4.755 -1.178 8.229 531 HD2 ARG 61 HD2 ARG 61 -7.138 -1.323 8.197 532 HD3 ARG 61 HD1 ARG 61 -7.088 -3.083 8.027 533 HE ARG 61 HE ARG 61 -5.684 -2.538 10.291 534 HH11 ARG 61 HH11 ARG 61 -9.079 -1.892 9.327 535 HH12 ARG 61 HH12 ARG 61 -9.656 -2.031 10.907 536 HH21 ARG 61 HH21 ARG 61 -6.565 -2.726 12.449 537 HH22 ARG 61 HH22 ARG 61 -8.239 -2.513 12.686 538 H LEU 62 HN LEU 62 -3.631 0.069 4.595 539 HA LEU 62 HA LEU 62 -3.639 -1.531 2.156 540 HB2 LEU 62 HB2 LEU 62 -4.622 0.762 1.797 541 HB3 LEU 62 HB1 LEU 62 -3.106 1.448 2.327 542 HG LEU 62 HG LEU 62 -3.286 -0.333 -0.110 543 HD11 LEU 62 HD11 LEU 62 -4.808 1.539 -0.413 544 HD12 LEU 62 HD12 LEU 62 -3.382 1.692 -1.438 545 HD13 LEU 62 HD13 LEU 62 -3.526 2.666 0.033 546 HD21 LEU 62 HD21 LEU 62 -1.246 0.894 -0.745 547 HD22 LEU 62 HD22 LEU 62 -1.055 0.012 0.769 548 HD23 LEU 62 HD23 LEU 62 -1.326 1.755 0.798 549 H VAL 63 HN VAL 63 -1.696 -2.416 1.753 550 HA VAL 63 HA VAL 63 0.565 -1.549 3.420 551 HB VAL 63 HB VAL 63 -0.078 -4.345 2.419 552 HG11 VAL 63 HG11 VAL 63 1.837 -5.068 3.777 553 HG12 VAL 63 HG12 VAL 63 2.194 -3.385 4.152 554 HG13 VAL 63 HG13 VAL 63 2.323 -3.963 2.489 555 HG21 VAL 63 HG21 VAL 63 -1.531 -3.677 4.258 556 HG22 VAL 63 HG22 VAL 63 -0.126 -3.213 5.216 557 HG23 VAL 63 HG23 VAL 63 -0.386 -4.906 4.796 558 H TYR 64 HN TYR 64 2.281 -0.887 2.349 559 HA TYR 64 HA TYR 64 2.722 -1.799 -0.381 560 HB2 TYR 64 HB2 TYR 64 3.269 0.530 -1.109 561 HB3 TYR 64 HB1 TYR 64 1.589 0.307 -0.676 562 HD1 TYR 64 HD1 TYR 64 4.774 1.413 0.997 563 HD2 TYR 64 HD2 TYR 64 0.608 1.972 0.498 564 HE1 TYR 64 HE1 TYR 64 4.872 3.377 2.458 565 HE2 TYR 64 HE2 TYR 64 0.680 3.920 1.949 566 HH TYR 64 HH TYR 64 3.618 5.381 2.907 567 H GLN 65 HN GLN 65 4.922 -1.484 -1.082 568 HA GLN 65 HA GLN 65 6.735 -1.113 1.175 569 HB2 GLN 65 HB2 GLN 65 8.410 -2.439 -0.074 570 HB3 GLN 65 HB1 GLN 65 6.981 -3.365 0.336 571 HG2 GLN 65 HG2 GLN 65 6.176 -3.164 -1.956 572 HG3 GLN 65 HG1 GLN 65 7.564 -2.154 -2.357 573 HE21 GLN 65 HE21 GLN 65 7.844 -4.907 -0.243 574 HE22 GLN 65 HE22 GLN 65 8.765 -5.885 -1.321 575 H VAL 66 HN VAL 66 8.240 0.370 1.064 576 HA VAL 66 HA VAL 66 8.098 2.133 -1.275 577 HB VAL 66 HB VAL 66 9.303 2.646 1.463 578 HG11 VAL 66 HG11 VAL 66 10.452 3.904 -0.293 579 HG12 VAL 66 HG12 VAL 66 9.518 4.969 0.753 580 HG13 VAL 66 HG13 VAL 66 8.907 4.548 -0.850 581 HG21 VAL 66 HG21 VAL 66 7.430 4.155 1.792 582 HG22 VAL 66 HG22 VAL 66 6.876 2.506 1.502 583 HG23 VAL 66 HG23 VAL 66 6.776 3.706 0.219 584 H ILE 67 HN ILE 67 9.536 1.648 -2.743 585 HA ILE 67 HA ILE 67 12.085 0.548 -1.882 586 HB ILE 67 HB ILE 67 11.048 0.818 -4.715 587 HG12 ILE 67 HG12 ILE 67 10.810 -1.596 -2.893 588 HG13 ILE 67 HG11 ILE 67 9.481 -0.534 -3.324 589 HG21 ILE 67 HG21 ILE 67 12.700 -0.945 -5.162 590 HG22 ILE 67 HG22 ILE 67 13.141 -0.966 -3.461 591 HG23 ILE 67 HG23 ILE 67 13.465 0.469 -4.433 592 HD11 ILE 67 HD11 ILE 67 9.746 -1.160 -5.669 593 HD12 ILE 67 HD12 ILE 67 9.437 -2.554 -4.634 594 HD13 ILE 67 HD13 ILE 67 11.071 -2.237 -5.225 595 H ASP 68 HN ASP 68 13.168 2.355 -1.248 596 HA ASP 68 HA ASP 68 13.020 4.827 -2.662 597 HB2 ASP 68 HB2 ASP 68 13.516 4.777 -0.268 598 HB3 ASP 68 HB1 ASP 68 15.004 3.890 -0.574 599 H GLU 69 HN GLU 69 14.961 2.029 -2.893 600 HA GLU 69 HA GLU 69 17.155 2.926 -4.393 601 HB2 GLU 69 HB2 GLU 69 15.675 0.307 -4.614 602 HB3 GLU 69 HB1 GLU 69 17.273 0.624 -5.255 603 HG2 GLU 69 HG2 GLU 69 18.112 0.937 -2.988 604 HG3 GLU 69 HG1 GLU 69 16.494 0.617 -2.351 605 H LYS 70 HN LYS 70 13.879 2.107 -5.318 606 HA LYS 70 HA LYS 70 14.491 2.672 -8.142 607 HB2 LYS 70 HB2 LYS 70 12.183 1.184 -6.909 608 HB3 LYS 70 HB1 LYS 70 12.393 1.447 -8.641 609 HG2 LYS 70 HG2 LYS 70 14.436 0.107 -8.569 610 HG3 LYS 70 HG1 LYS 70 14.233 -0.109 -6.835 611 HD2 LYS 70 HD2 LYS 70 12.070 -1.227 -7.244 612 HD3 LYS 70 HD1 LYS 70 12.332 -1.052 -8.978 613 HE2 LYS 70 HE2 LYS 70 14.304 -2.436 -8.865 614 HE3 LYS 70 HE1 LYS 70 14.177 -2.536 -7.112 615 HZ1 LYS 70 HZ1 LYS 70 13.327 -4.504 -8.189 616 HZ2 LYS 70 HZ2 LYS 70 12.205 -3.596 -9.050 617 HZ3 LYS 70 HZ3 LYS 70 12.073 -3.719 -7.381 618 H VAL 71 HN VAL 71 13.348 4.120 -5.483 619 HA VAL 71 HA VAL 71 12.119 5.897 -4.908 620 HB VAL 71 HB VAL 71 12.225 6.734 -7.835 621 HG11 VAL 71 HG11 VAL 71 12.165 8.361 -5.292 622 HG12 VAL 71 HG12 VAL 71 10.843 8.155 -6.445 623 HG13 VAL 71 HG13 VAL 71 12.303 9.017 -6.923 624 HG21 VAL 71 HG21 VAL 71 14.477 6.071 -7.152 625 HG22 VAL 71 HG22 VAL 71 14.373 7.120 -5.739 626 HG23 VAL 71 HG23 VAL 71 14.385 7.819 -7.359 627 H VAL 72 HN VAL 72 10.683 3.538 -5.534 628 HA VAL 72 HA VAL 72 8.161 4.731 -6.377 629 HB VAL 72 HB VAL 72 9.023 3.414 -8.286 630 HG11 VAL 72 HG11 VAL 72 10.334 1.793 -7.136 631 HG12 VAL 72 HG12 VAL 72 9.165 0.987 -8.190 632 HG13 VAL 72 HG13 VAL 72 8.890 1.047 -6.445 633 HG21 VAL 72 HG21 VAL 72 6.595 2.156 -7.004 634 HG22 VAL 72 HG22 VAL 72 7.041 2.014 -8.705 635 HG23 VAL 72 HG23 VAL 72 6.601 3.585 -8.036 636 H VAL 73 HN VAL 73 6.433 4.189 -5.258 637 HA VAL 73 HA VAL 73 6.743 2.438 -2.967 638 HB VAL 73 HB VAL 73 4.583 4.433 -3.719 639 HG11 VAL 73 HG11 VAL 73 5.008 2.907 -1.154 640 HG12 VAL 73 HG12 VAL 73 3.711 2.642 -2.321 641 HG13 VAL 73 HG13 VAL 73 3.790 4.152 -1.417 642 HG21 VAL 73 HG21 VAL 73 6.807 4.641 -1.707 643 HG22 VAL 73 HG22 VAL 73 5.497 5.804 -1.895 644 HG23 VAL 73 HG23 VAL 73 6.654 5.556 -3.207 645 H PHE 74 HN PHE 74 6.062 0.472 -3.278 646 HA PHE 74 HA PHE 74 4.280 -0.116 -5.527 647 HB2 PHE 74 HB2 PHE 74 6.564 -1.050 -5.596 648 HB3 PHE 74 HB1 PHE 74 6.289 -1.830 -4.052 649 HD1 PHE 74 HD1 PHE 74 5.328 -1.789 -7.597 650 HD2 PHE 74 HD2 PHE 74 5.206 -3.929 -3.927 651 HE1 PHE 74 HE1 PHE 74 4.563 -3.787 -8.789 652 HE2 PHE 74 HE2 PHE 74 4.431 -5.934 -5.114 653 HZ PHE 74 HZ PHE 74 4.110 -5.864 -7.554 654 H VAL 75 HN VAL 75 2.248 -0.330 -4.814 655 HA VAL 75 HA VAL 75 1.608 -1.149 -2.150 656 HB VAL 75 HB VAL 75 -0.222 -0.881 -4.564 657 HG11 VAL 75 HG11 VAL 75 -0.919 -1.108 -1.626 658 HG12 VAL 75 HG12 VAL 75 -1.215 -2.329 -2.857 659 HG13 VAL 75 HG13 VAL 75 -2.069 -0.785 -2.920 660 HG21 VAL 75 HG21 VAL 75 -0.878 1.267 -3.574 661 HG22 VAL 75 HG22 VAL 75 0.837 1.235 -3.981 662 HG23 VAL 75 HG23 VAL 75 0.324 1.048 -2.305 663 H ILE 76 HN ILE 76 1.452 -3.089 -1.426 664 HA ILE 76 HA ILE 76 1.857 -5.293 -3.289 665 HB ILE 76 HB ILE 76 1.939 -5.289 -0.262 666 HG12 ILE 76 HG12 ILE 76 4.247 -5.090 -2.212 667 HG13 ILE 76 HG11 ILE 76 3.653 -3.772 -1.211 668 HG21 ILE 76 HG21 ILE 76 1.578 -7.471 -1.318 669 HG22 ILE 76 HG22 ILE 76 3.154 -7.380 -0.527 670 HG23 ILE 76 HG23 ILE 76 3.036 -7.233 -2.284 671 HD11 ILE 76 HD11 ILE 76 5.657 -4.789 -0.275 672 HD12 ILE 76 HD12 ILE 76 4.834 -6.347 -0.196 673 HD13 ILE 76 HD13 ILE 76 4.272 -5.001 0.796 674 H SER 77 HN SER 77 -0.306 -4.176 -0.693 675 HA SER 77 HA SER 77 -2.409 -5.886 -1.677 676 HB2 SER 77 HB2 SER 77 -1.334 -6.168 1.139 677 HB3 SER 77 HB1 SER 77 -2.748 -6.994 0.479 678 HG SER 77 HG SER 77 -0.751 -7.406 -1.176 679 H VAL 78 HN VAL 78 -4.456 -5.282 -0.801 680 HA VAL 78 HA VAL 78 -4.561 -3.054 0.987 681 HB VAL 78 HB VAL 78 -4.300 -2.020 -1.264 682 HG11 VAL 78 HG11 VAL 78 -6.064 -2.186 -2.947 683 HG12 VAL 78 HG12 VAL 78 -6.837 -3.445 -1.988 684 HG13 VAL 78 HG13 VAL 78 -5.233 -3.716 -2.672 685 HG21 VAL 78 HG21 VAL 78 -5.558 -0.831 0.408 686 HG22 VAL 78 HG22 VAL 78 -7.049 -1.640 -0.093 687 HG23 VAL 78 HG23 VAL 78 -6.223 -0.530 -1.196 688 H GLY 79 HN GLY 79 -6.552 -3.040 2.095 689 HA2 GLY 79 HA2 GLY 79 -8.954 -4.028 1.444 690 HA3 GLY 79 HA1 GLY 79 -8.038 -5.484 1.821 691 H LYS 80 HN LYS 80 -8.724 -6.145 3.742 692 HA LYS 80 HA LYS 80 -8.770 -4.144 5.880 693 HB2 LYS 80 HB2 LYS 80 -10.628 -6.484 5.497 694 HB3 LYS 80 HB1 LYS 80 -10.626 -5.428 6.904 695 HG2 LYS 80 HG2 LYS 80 -11.203 -3.530 5.445 696 HG3 LYS 80 HG1 LYS 80 -11.225 -4.617 4.063 697 HD2 LYS 80 HD2 LYS 80 -13.464 -4.307 4.748 698 HD3 LYS 80 HD1 LYS 80 -13.000 -5.932 5.253 699 HE2 LYS 80 HE2 LYS 80 -12.532 -5.004 7.532 700 HE3 LYS 80 HE1 LYS 80 -13.186 -3.463 6.979 701 HZ1 LYS 80 HZ1 LYS 80 -14.873 -4.708 8.127 702 HZ2 LYS 80 HZ2 LYS 80 -14.580 -6.044 7.155 703 HZ3 LYS 80 HZ3 LYS 80 -15.293 -4.676 6.476 704 H ALA 81 HN ALA 81 -8.637 -5.246 8.092 705 HA ALA 81 HA ALA 81 -6.306 -6.987 7.945 706 HB1 ALA 81 HB1 ALA 81 -7.452 -5.510 10.304 707 HB2 ALA 81 HB2 ALA 81 -6.154 -4.928 9.264 708 HB3 ALA 81 HB3 ALA 81 -5.912 -6.367 10.256 709 H GLU 82 HN GLU 82 -9.445 -7.515 7.986 710 HA GLU 82 HA GLU 82 -9.801 -9.233 10.179 711 HB2 GLU 82 HB2 GLU 82 -11.813 -10.047 8.886 712 HB3 GLU 82 HB1 GLU 82 -11.760 -8.324 9.209 713 HG2 GLU 82 HG2 GLU 82 -11.004 -7.917 6.929 714 HG3 GLU 82 HG1 GLU 82 -11.045 -9.647 6.598 715 H ALA 83 HN ALA 83 -9.222 -11.203 10.514 716 HA ALA 83 HA ALA 83 -8.341 -13.259 10.316 717 HB1 ALA 83 HB1 ALA 83 -8.725 -14.539 8.255 718 HB2 ALA 83 HB2 ALA 83 -9.127 -13.032 7.419 719 HB3 ALA 83 HB3 ALA 83 -10.173 -13.623 8.706 720 H SER 84 HN SER 84 -6.834 -10.719 9.642 721 HA SER 84 HA SER 84 -4.726 -10.056 9.107 722 HB2 SER 84 HB2 SER 84 -4.092 -13.029 9.141 723 HB3 SER 84 HB1 SER 84 -2.923 -11.716 9.304 724 HG SER 84 HG SER 84 -5.106 -11.850 11.047 725 H GLU 85 HN GLU 85 -6.657 -10.590 6.991 726 HA GLU 85 HA GLU 85 -5.779 -12.087 4.829 727 HB2 GLU 85 HB2 GLU 85 -8.048 -11.061 5.213 728 HB3 GLU 85 HB1 GLU 85 -7.380 -9.533 4.671 729 HG2 GLU 85 HG2 GLU 85 -8.579 -10.523 2.863 730 HG3 GLU 85 HG1 GLU 85 -6.857 -10.602 2.493 731 H VAL 86 HN VAL 86 -5.364 -8.559 5.324 732 HA VAL 86 HA VAL 86 -3.868 -8.153 2.986 733 HB VAL 86 HB VAL 86 -3.057 -6.011 4.009 734 HG11 VAL 86 HG11 VAL 86 -5.091 -6.088 2.708 735 HG12 VAL 86 HG12 VAL 86 -5.256 -4.950 4.046 736 HG13 VAL 86 HG13 VAL 86 -6.009 -6.542 4.143 737 HG21 VAL 86 HG21 VAL 86 -4.050 -5.291 6.142 738 HG22 VAL 86 HG22 VAL 86 -3.001 -6.696 6.356 739 HG23 VAL 86 HG23 VAL 86 -4.751 -6.897 6.348 740 H TYR 87 HN TYR 87 -2.831 -9.430 6.004 741 HA TYR 87 HA TYR 87 -0.071 -8.753 5.505 742 HB2 TYR 87 HB2 TYR 87 -1.261 -10.556 7.626 743 HB3 TYR 87 HB1 TYR 87 0.428 -10.087 7.530 744 HD1 TYR 87 HD2 TYR 87 0.692 -7.363 7.317 745 HD2 TYR 87 HD1 TYR 87 -2.512 -9.431 9.207 746 HE1 TYR 87 HE2 TYR 87 0.228 -5.378 8.693 747 HE2 TYR 87 HE1 TYR 87 -2.980 -7.448 10.584 748 HH TYR 87 HH TYR 87 -1.599 -5.467 11.422 749 H SER 88 HN SER 88 -2.129 -11.628 5.406 750 HA SER 88 HA SER 88 -0.163 -13.466 4.620 751 HB2 SER 88 HB2 SER 88 -3.114 -13.462 3.967 752 HB3 SER 88 HB1 SER 88 -2.048 -14.869 4.014 753 HG SER 88 HG SER 88 -3.052 -14.852 5.930 754 H GLU 89 HN GLU 89 -2.353 -11.366 2.806 755 HA GLU 89 HA GLU 89 -1.751 -12.234 0.216 756 HB2 GLU 89 HB2 GLU 89 -3.653 -10.726 0.973 757 HB3 GLU 89 HB1 GLU 89 -2.480 -9.428 1.074 758 HG2 GLU 89 HG2 GLU 89 -3.668 -9.201 -0.979 759 HG3 GLU 89 HG1 GLU 89 -2.032 -9.737 -1.359 760 H ALA 90 HN ALA 90 -0.398 -9.666 2.251 761 HA ALA 90 HA ALA 90 1.350 -8.557 0.394 762 HB1 ALA 90 HB1 ALA 90 1.622 -8.516 3.389 763 HB2 ALA 90 HB2 ALA 90 0.635 -7.411 2.434 764 HB3 ALA 90 HB3 ALA 90 2.390 -7.410 2.247 765 H VAL 91 HN VAL 91 2.067 -10.875 3.005 766 HA VAL 91 HA VAL 91 4.799 -10.974 2.358 767 HB VAL 91 HB VAL 91 3.913 -11.671 4.571 768 HG11 VAL 91 HG11 VAL 91 2.971 -14.159 3.182 769 HG12 VAL 91 HG12 VAL 91 1.966 -12.919 3.931 770 HG13 VAL 91 HG13 VAL 91 3.021 -13.919 4.930 771 HG21 VAL 91 HG21 VAL 91 5.597 -13.757 3.188 772 HG22 VAL 91 HG22 VAL 91 5.426 -13.584 4.933 773 HG23 VAL 91 HG23 VAL 91 6.172 -12.294 3.987 774 H LYS 92 HN LYS 92 2.089 -12.842 1.185 775 HA LYS 92 HA LYS 92 3.715 -14.717 -0.182 776 HB2 LYS 92 HB2 LYS 92 0.804 -14.039 -0.448 777 HB3 LYS 92 HB1 LYS 92 1.579 -15.281 -1.427 778 HG2 LYS 92 HG2 LYS 92 1.373 -15.257 1.580 779 HG3 LYS 92 HG1 LYS 92 0.373 -16.204 0.481 780 HD2 LYS 92 HD2 LYS 92 2.362 -17.396 -0.303 781 HD3 LYS 92 HD1 LYS 92 3.369 -16.446 0.788 782 HE2 LYS 92 HE2 LYS 92 1.147 -18.316 1.599 783 HE3 LYS 92 HE1 LYS 92 2.875 -18.650 1.708 784 HZ1 LYS 92 HZ1 LYS 92 1.395 -16.540 3.191 785 HZ2 LYS 92 HZ2 LYS 92 3.065 -16.808 3.283 786 HZ3 LYS 92 HZ3 LYS 92 1.985 -17.971 3.820 787 H ARG 93 HN ARG 93 2.696 -11.501 -0.969 788 HA ARG 93 HA ARG 93 3.129 -11.891 -3.788 789 HB2 ARG 93 HB2 ARG 93 2.842 -9.333 -2.227 790 HB3 ARG 93 HB1 ARG 93 3.021 -9.402 -3.971 791 HG2 ARG 93 HG2 ARG 93 0.727 -10.424 -2.315 792 HG3 ARG 93 HG1 ARG 93 0.716 -9.070 -3.447 793 HD2 ARG 93 HD2 ARG 93 1.099 -11.981 -4.113 794 HD3 ARG 93 HD1 ARG 93 -0.326 -10.993 -4.429 795 HE ARG 93 HE ARG 93 1.067 -9.681 -5.944 796 HH11 ARG 93 HH11 ARG 93 1.914 -13.067 -5.293 797 HH12 ARG 93 HH12 ARG 93 2.940 -13.207 -6.625 798 HH21 ARG 93 HH21 ARG 93 2.477 -9.884 -7.725 799 HH22 ARG 93 HH22 ARG 93 3.299 -11.368 -8.064 800 H ILE 94 HN ILE 94 5.111 -11.455 -1.185 801 HA ILE 94 HA ILE 94 7.222 -10.166 -2.648 802 HB ILE 94 HB ILE 94 7.225 -11.449 0.105 803 HG12 ILE 94 HG12 ILE 94 7.030 -8.541 -0.690 804 HG13 ILE 94 HG11 ILE 94 5.658 -9.546 -0.241 805 HG21 ILE 94 HG21 ILE 94 9.505 -11.284 -0.840 806 HG22 ILE 94 HG22 ILE 94 9.289 -10.143 0.488 807 HG23 ILE 94 HG23 ILE 94 9.237 -9.575 -1.179 808 HD11 ILE 94 HD11 ILE 94 6.617 -9.865 1.949 809 HD12 ILE 94 HD12 ILE 94 6.347 -8.158 1.579 810 HD13 ILE 94 HD13 ILE 94 7.986 -8.834 1.510 811 H LEU 95 HN LEU 95 6.251 -13.412 -1.822 812 HA LEU 95 HA LEU 95 8.701 -14.402 -3.055 813 HB2 LEU 95 HB2 LEU 95 6.667 -15.842 -1.337 814 HB3 LEU 95 HB1 LEU 95 7.970 -16.651 -2.174 815 HG LEU 95 HG LEU 95 8.633 -16.479 0.068 816 HD11 LEU 95 HD11 LEU 95 10.418 -16.025 -1.453 817 HD12 LEU 95 HD12 LEU 95 10.627 -15.125 0.048 818 HD13 LEU 95 HD13 LEU 95 10.060 -14.295 -1.397 819 HD21 LEU 95 HD21 LEU 95 7.076 -14.807 0.877 820 HD22 LEU 95 HD22 LEU 95 7.942 -13.545 0.003 821 HD23 LEU 95 HD23 LEU 95 8.720 -14.377 1.352 Start of MODEL 12 1 H MET 1 H MET 1 11.585 14.695 -1.706 2 HA MET 1 HA MET 1 11.694 14.415 -4.642 3 HB2 MET 1 HB2 MET 1 13.624 13.378 -3.494 4 HB3 MET 1 HB1 MET 1 12.507 12.509 -2.445 5 HG2 MET 1 HG2 MET 1 11.617 11.323 -4.411 6 HG3 MET 1 HG1 MET 1 12.799 12.148 -5.422 7 HE1 MET 1 HE1 MET 1 15.399 12.163 -3.525 8 HE2 MET 1 HE2 MET 1 15.428 11.773 -5.243 9 HE3 MET 1 HE3 MET 1 16.189 10.688 -4.082 10 H ALA 2 HN ALA 2 10.077 13.312 -5.485 11 HA ALA 2 HA ALA 2 7.982 12.310 -3.688 12 HB1 ALA 2 HB1 ALA 2 6.389 12.796 -5.506 13 HB2 ALA 2 HB2 ALA 2 7.702 13.459 -6.478 14 HB3 ALA 2 HB3 ALA 2 7.218 14.260 -4.977 15 H TYR 3 HN TYR 3 7.399 10.243 -4.006 16 HA TYR 3 HA TYR 3 9.084 8.716 -5.823 17 HB2 TYR 3 HB2 TYR 3 7.245 7.867 -3.580 18 HB3 TYR 3 HB1 TYR 3 8.068 6.743 -4.647 19 HD1 TYR 3 HD2 TYR 3 9.230 9.822 -2.847 20 HD2 TYR 3 HD1 TYR 3 9.713 5.641 -3.474 21 HE1 TYR 3 HE2 TYR 3 11.156 9.822 -1.339 22 HE2 TYR 3 HE1 TYR 3 11.645 5.636 -1.959 23 HH TYR 3 HH TYR 3 13.260 7.131 -1.026 24 H PHE 4 HN PHE 4 8.139 6.978 -7.028 25 HA PHE 4 HA PHE 4 5.712 7.762 -8.397 26 HB2 PHE 4 HB2 PHE 4 7.612 5.434 -8.745 27 HB3 PHE 4 HB1 PHE 4 6.221 5.701 -9.780 28 HD1 PHE 4 HD1 PHE 4 9.593 6.784 -8.893 29 HD2 PHE 4 HD2 PHE 4 6.236 7.518 -11.393 30 HE1 PHE 4 HE1 PHE 4 10.991 8.200 -10.342 31 HE2 PHE 4 HE2 PHE 4 7.614 8.930 -12.842 32 HZ PHE 4 HZ PHE 4 10.001 9.276 -12.324 33 H LEU 5 HN LEU 5 3.876 6.306 -8.525 34 HA LEU 5 HA LEU 5 3.735 4.474 -6.221 35 HB2 LEU 5 HB2 LEU 5 2.286 6.645 -6.249 36 HB3 LEU 5 HB1 LEU 5 1.357 5.848 -7.488 37 HG LEU 5 HG LEU 5 0.227 5.700 -5.345 38 HD11 LEU 5 HD11 LEU 5 1.277 3.028 -6.190 39 HD12 LEU 5 HD12 LEU 5 -0.192 3.827 -6.763 40 HD13 LEU 5 HD13 LEU 5 -0.065 3.283 -5.085 41 HD21 LEU 5 HD21 LEU 5 2.685 4.292 -4.345 42 HD22 LEU 5 HD22 LEU 5 1.161 4.416 -3.478 43 HD23 LEU 5 HD23 LEU 5 2.087 5.872 -3.829 44 H ASP 6 HN ASP 6 3.471 2.398 -6.794 45 HA ASP 6 HA ASP 6 2.225 1.782 -9.379 46 HB2 ASP 6 HB2 ASP 6 4.727 1.588 -9.543 47 HB3 ASP 6 HB1 ASP 6 4.667 0.420 -8.228 48 H PHE 7 HN PHE 7 1.469 -0.500 -9.416 49 HA PHE 7 HA PHE 7 0.668 -1.480 -6.745 50 HB2 PHE 7 HB2 PHE 7 -1.135 -1.239 -9.162 51 HB3 PHE 7 HB1 PHE 7 -1.547 -2.053 -7.671 52 HD1 PHE 7 HD2 PHE 7 -2.155 -0.769 -5.702 53 HD2 PHE 7 HD1 PHE 7 -1.185 1.140 -9.376 54 HE1 PHE 7 HE2 PHE 7 -3.227 1.296 -4.904 55 HE2 PHE 7 HE1 PHE 7 -2.268 3.199 -8.596 56 HZ PHE 7 HZ PHE 7 -3.290 3.284 -6.354 57 H ASP 8 HN ASP 8 0.682 -3.703 -6.623 58 HA ASP 8 HA ASP 8 1.516 -5.241 -8.921 59 HB2 ASP 8 HB2 ASP 8 2.104 -5.930 -6.551 60 HB3 ASP 8 HB1 ASP 8 0.395 -6.237 -6.269 61 H GLU 9 HN GLU 9 0.115 -6.850 -9.921 62 HA GLU 9 HA GLU 9 -2.430 -5.886 -10.482 63 HB2 GLU 9 HB2 GLU 9 -2.789 -8.034 -11.675 64 HB3 GLU 9 HB1 GLU 9 -1.285 -7.237 -12.096 65 HG2 GLU 9 HG2 GLU 9 -0.349 -9.240 -11.809 66 HG3 GLU 9 HG1 GLU 9 -0.521 -8.929 -10.084 67 H ARG 10 HN ARG 10 -1.368 -8.090 -7.987 68 HA ARG 10 HA ARG 10 -3.898 -9.083 -7.208 69 HB2 ARG 10 HB2 ARG 10 -1.443 -8.564 -5.512 70 HB3 ARG 10 HB1 ARG 10 -2.844 -9.492 -4.991 71 HG2 ARG 10 HG2 ARG 10 -1.135 -10.185 -7.351 72 HG3 ARG 10 HG1 ARG 10 -0.925 -10.859 -5.737 73 HD2 ARG 10 HD2 ARG 10 -2.827 -12.107 -5.869 74 HD3 ARG 10 HD1 ARG 10 -3.625 -11.023 -7.001 75 HE ARG 10 HE ARG 10 -2.123 -11.795 -8.676 76 HH11 ARG 10 HH11 ARG 10 -2.571 -13.923 -5.835 77 HH12 ARG 10 HH12 ARG 10 -2.085 -15.320 -6.683 78 HH21 ARG 10 HH21 ARG 10 -1.522 -13.813 -9.783 79 HH22 ARG 10 HH22 ARG 10 -1.532 -15.270 -8.903 80 H ALA 11 HN ALA 11 -2.060 -6.267 -6.265 81 HA ALA 11 HA ALA 11 -3.867 -5.310 -4.345 82 HB1 ALA 11 HB1 ALA 11 -2.654 -3.197 -4.531 83 HB2 ALA 11 HB2 ALA 11 -1.856 -3.780 -5.992 84 HB3 ALA 11 HB3 ALA 11 -1.542 -4.562 -4.443 85 H LEU 12 HN LEU 12 -3.552 -4.795 -7.836 86 HA LEU 12 HA LEU 12 -5.447 -2.741 -8.064 87 HB2 LEU 12 HB2 LEU 12 -4.443 -4.787 -10.001 88 HB3 LEU 12 HB1 LEU 12 -5.638 -3.592 -10.448 89 HG LEU 12 HG LEU 12 -2.853 -2.959 -9.456 90 HD11 LEU 12 HD11 LEU 12 -4.023 -2.892 -12.230 91 HD12 LEU 12 HD12 LEU 12 -2.819 -4.043 -11.641 92 HD13 LEU 12 HD13 LEU 12 -2.415 -2.331 -11.776 93 HD21 LEU 12 HD21 LEU 12 -5.035 -1.220 -10.609 94 HD22 LEU 12 HD22 LEU 12 -3.392 -0.689 -10.260 95 HD23 LEU 12 HD23 LEU 12 -4.453 -1.184 -8.945 96 H LYS 13 HN LYS 13 -5.767 -6.215 -8.216 97 HA LYS 13 HA LYS 13 -8.469 -6.325 -8.948 98 HB2 LYS 13 HB2 LYS 13 -6.772 -8.206 -7.336 99 HB3 LYS 13 HB1 LYS 13 -8.393 -8.598 -7.897 100 HG2 LYS 13 HG2 LYS 13 -7.730 -8.623 -10.137 101 HG3 LYS 13 HG1 LYS 13 -6.239 -7.748 -9.789 102 HD2 LYS 13 HD2 LYS 13 -5.358 -9.622 -8.605 103 HD3 LYS 13 HD1 LYS 13 -6.865 -10.521 -8.805 104 HE2 LYS 13 HE2 LYS 13 -6.547 -10.567 -11.213 105 HE3 LYS 13 HE1 LYS 13 -5.113 -9.551 -11.067 106 HZ1 LYS 13 HZ1 LYS 13 -4.650 -11.939 -11.371 107 HZ2 LYS 13 HZ2 LYS 13 -5.325 -12.269 -9.866 108 HZ3 LYS 13 HZ3 LYS 13 -3.945 -11.267 -10.015 109 H GLU 14 HN GLU 14 -6.889 -6.245 -5.763 110 HA GLU 14 HA GLU 14 -9.277 -6.386 -4.259 111 HB2 GLU 14 HB2 GLU 14 -6.610 -5.214 -3.484 112 HB3 GLU 14 HB1 GLU 14 -7.883 -5.729 -2.385 113 HG2 GLU 14 HG2 GLU 14 -6.309 -7.485 -4.237 114 HG3 GLU 14 HG1 GLU 14 -6.061 -7.370 -2.506 115 H TRP 15 HN TRP 15 -7.305 -3.767 -5.475 116 HA TRP 15 HA TRP 15 -8.483 -1.563 -4.237 117 HB2 TRP 15 HB2 TRP 15 -6.321 -1.552 -5.394 118 HB3 TRP 15 HB1 TRP 15 -7.127 -1.836 -6.921 119 HD1 TRP 15 HD1 TRP 15 -8.069 0.251 -8.188 120 HE1 TRP 15 HE1 TRP 15 -7.876 2.776 -7.795 121 HE3 TRP 15 HE3 TRP 15 -6.237 0.182 -3.427 122 HZ2 TRP 15 HZ2 TRP 15 -7.056 4.512 -5.746 123 HZ3 TRP 15 HZ3 TRP 15 -5.770 2.325 -2.320 124 HH2 TRP 15 HH2 TRP 15 -6.169 4.438 -3.447 125 H ARG 16 HN ARG 16 -9.168 -3.065 -7.373 126 HA ARG 16 HA ARG 16 -11.290 -1.252 -7.985 127 HB2 ARG 16 HB2 ARG 16 -10.564 -3.919 -9.192 128 HB3 ARG 16 HB1 ARG 16 -11.812 -2.857 -9.833 129 HG2 ARG 16 HG2 ARG 16 -10.133 -1.145 -10.268 130 HG3 ARG 16 HG1 ARG 16 -8.885 -2.191 -9.589 131 HD2 ARG 16 HD2 ARG 16 -8.887 -2.295 -12.034 132 HD3 ARG 16 HD1 ARG 16 -9.322 -3.848 -11.321 133 HE ARG 16 HE ARG 16 -11.641 -2.342 -11.844 134 HH11 ARG 16 HH11 ARG 16 -9.178 -4.185 -13.607 135 HH12 ARG 16 HH12 ARG 16 -10.219 -4.583 -14.890 136 HH21 ARG 16 HH21 ARG 16 -13.044 -2.911 -13.565 137 HH22 ARG 16 HH22 ARG 16 -12.507 -3.848 -14.878 138 H LYS 17 HN LYS 17 -11.045 -4.294 -6.387 139 HA LYS 17 HA LYS 17 -13.775 -5.038 -6.236 140 HB2 LYS 17 HB2 LYS 17 -11.902 -6.524 -5.694 141 HB3 LYS 17 HB1 LYS 17 -11.490 -5.516 -4.320 142 HG2 LYS 17 HG2 LYS 17 -13.779 -6.067 -3.402 143 HG3 LYS 17 HG1 LYS 17 -13.892 -7.285 -4.672 144 HD2 LYS 17 HD2 LYS 17 -11.761 -7.128 -2.534 145 HD3 LYS 17 HD1 LYS 17 -13.091 -8.282 -2.594 146 HE2 LYS 17 HE2 LYS 17 -12.189 -9.180 -4.698 147 HE3 LYS 17 HE1 LYS 17 -10.870 -8.011 -4.590 148 HZ1 LYS 17 HZ1 LYS 17 -10.310 -10.276 -3.775 149 HZ2 LYS 17 HZ2 LYS 17 -11.375 -10.043 -2.481 150 HZ3 LYS 17 HZ3 LYS 17 -10.024 -9.051 -2.670 151 H LEU 18 HN LEU 18 -11.674 -3.031 -4.287 152 HA LEU 18 HA LEU 18 -13.267 -2.501 -2.115 153 HB2 LEU 18 HB2 LEU 18 -10.887 -1.393 -3.310 154 HB3 LEU 18 HB1 LEU 18 -11.878 -0.134 -2.615 155 HG LEU 18 HG LEU 18 -11.745 -1.176 -0.431 156 HD11 LEU 18 HD11 LEU 18 -11.658 -3.527 -1.099 157 HD12 LEU 18 HD12 LEU 18 -10.324 -3.119 -0.021 158 HD13 LEU 18 HD13 LEU 18 -10.039 -3.283 -1.756 159 HD21 LEU 18 HD21 LEU 18 -9.069 -0.913 -1.769 160 HD22 LEU 18 HD22 LEU 18 -9.370 -0.863 -0.027 161 HD23 LEU 18 HD23 LEU 18 -10.042 0.384 -1.078 162 H GLY 19 HN GLY 19 -14.461 -0.629 -1.576 163 HA2 GLY 19 HA2 GLY 19 -16.294 0.172 -3.629 164 HA3 GLY 19 HA1 GLY 19 -16.310 0.702 -1.945 165 H SER 20 HN SER 20 -16.583 2.255 -4.420 166 HA SER 20 HA SER 20 -14.329 3.558 -5.228 167 HB2 SER 20 HB2 SER 20 -17.128 4.650 -4.980 168 HB3 SER 20 HB1 SER 20 -15.837 5.389 -5.928 169 HG SER 20 HG SER 20 -16.094 3.981 -7.406 170 H THR 21 HN THR 21 -16.379 4.440 -2.459 171 HA THR 21 HA THR 21 -15.022 6.874 -1.939 172 HB THR 21 HB THR 21 -16.648 5.225 0.005 173 HG1 THR 21 HG1 THR 21 -17.294 6.570 -2.276 174 HG21 THR 21 HG21 THR 21 -16.132 8.207 -0.185 175 HG22 THR 21 HG22 THR 21 -15.424 7.117 1.009 176 HG23 THR 21 HG23 THR 21 -17.161 7.416 1.011 177 H VAL 22 HN VAL 22 -14.607 3.551 -0.825 178 HA VAL 22 HA VAL 22 -12.852 4.177 1.328 179 HB VAL 22 HB VAL 22 -13.256 1.586 -0.201 180 HG11 VAL 22 HG11 VAL 22 -11.113 1.585 0.954 181 HG12 VAL 22 HG12 VAL 22 -12.243 0.472 1.727 182 HG13 VAL 22 HG13 VAL 22 -11.914 2.045 2.458 183 HG21 VAL 22 HG21 VAL 22 -15.292 2.353 0.885 184 HG22 VAL 22 HG22 VAL 22 -14.430 2.538 2.411 185 HG23 VAL 22 HG23 VAL 22 -14.656 0.936 1.719 186 H ARG 23 HN ARG 23 -12.342 2.981 -1.962 187 HA ARG 23 HA ARG 23 -9.537 3.112 -1.697 188 HB2 ARG 23 HB2 ARG 23 -9.459 2.844 -4.198 189 HB3 ARG 23 HB1 ARG 23 -10.283 1.586 -3.287 190 HG2 ARG 23 HG2 ARG 23 -12.354 2.233 -3.997 191 HG3 ARG 23 HG1 ARG 23 -11.824 3.822 -4.535 192 HD2 ARG 23 HD2 ARG 23 -10.613 2.899 -6.291 193 HD3 ARG 23 HD1 ARG 23 -10.818 1.248 -5.705 194 HE ARG 23 HE ARG 23 -13.345 1.980 -6.015 195 HH11 ARG 23 HH11 ARG 23 -10.661 2.402 -8.293 196 HH12 ARG 23 HH12 ARG 23 -11.589 2.092 -9.673 197 HH21 ARG 23 HH21 ARG 23 -14.649 1.562 -7.958 198 HH22 ARG 23 HH22 ARG 23 -13.895 1.639 -9.475 199 H GLU 24 HN GLU 24 -11.882 5.423 -2.889 200 HA GLU 24 HA GLU 24 -10.121 7.258 -3.976 201 HB2 GLU 24 HB2 GLU 24 -12.798 7.402 -2.766 202 HB3 GLU 24 HB1 GLU 24 -11.980 8.922 -3.049 203 HG2 GLU 24 HG2 GLU 24 -11.789 8.375 -5.423 204 HG3 GLU 24 HG1 GLU 24 -12.460 6.777 -5.118 205 H GLN 25 HN GLN 25 -11.089 6.858 -0.605 206 HA GLN 25 HA GLN 25 -9.607 9.118 0.245 207 HB2 GLN 25 HB2 GLN 25 -10.713 6.739 1.702 208 HB3 GLN 25 HB1 GLN 25 -9.948 8.109 2.511 209 HG2 GLN 25 HG2 GLN 25 -11.657 9.573 1.813 210 HG3 GLN 25 HG1 GLN 25 -12.323 8.371 0.707 211 HE21 GLN 25 HE21 GLN 25 -13.403 6.719 1.483 212 HE22 GLN 25 HE22 GLN 25 -14.102 6.602 3.068 213 H LEU 26 HN LEU 26 -8.924 5.711 -0.131 214 HA LEU 26 HA LEU 26 -6.391 5.713 1.109 215 HB2 LEU 26 HB2 LEU 26 -7.613 3.875 -0.929 216 HB3 LEU 26 HB1 LEU 26 -6.008 3.630 -0.285 217 HG LEU 26 HG LEU 26 -8.554 3.622 1.379 218 HD11 LEU 26 HD11 LEU 26 -8.457 1.744 -0.146 219 HD12 LEU 26 HD12 LEU 26 -8.210 1.238 1.527 220 HD13 LEU 26 HD13 LEU 26 -6.836 1.353 0.428 221 HD21 LEU 26 HD21 LEU 26 -6.524 4.316 2.631 222 HD22 LEU 26 HD22 LEU 26 -5.714 2.857 2.078 223 HD23 LEU 26 HD23 LEU 26 -7.118 2.734 3.135 224 H LYS 27 HN LYS 27 -7.336 6.177 -2.309 225 HA LYS 27 HA LYS 27 -4.709 6.344 -3.267 226 HB2 LYS 27 HB2 LYS 27 -5.581 7.178 -5.306 227 HB3 LYS 27 HB1 LYS 27 -6.828 6.198 -4.544 228 HG2 LYS 27 HG2 LYS 27 -8.166 7.943 -3.986 229 HG3 LYS 27 HG1 LYS 27 -6.858 9.109 -4.135 230 HD2 LYS 27 HD2 LYS 27 -8.022 7.594 -6.464 231 HD3 LYS 27 HD1 LYS 27 -8.545 9.210 -5.991 232 HE2 LYS 27 HE2 LYS 27 -6.274 10.053 -6.291 233 HE3 LYS 27 HE1 LYS 27 -5.715 8.458 -6.733 234 HZ1 LYS 27 HZ1 LYS 27 -6.126 9.819 -8.693 235 HZ2 LYS 27 HZ2 LYS 27 -7.747 10.003 -8.249 236 HZ3 LYS 27 HZ3 LYS 27 -7.158 8.493 -8.662 237 H LYS 28 HN LYS 28 -6.781 8.734 -1.929 238 HA LYS 28 HA LYS 28 -5.199 11.048 -2.337 239 HB2 LYS 28 HB2 LYS 28 -6.920 10.444 0.076 240 HB3 LYS 28 HB1 LYS 28 -6.304 12.035 -0.356 241 HG2 LYS 28 HG2 LYS 28 -7.646 12.011 -2.361 242 HG3 LYS 28 HG1 LYS 28 -8.219 10.385 -1.976 243 HD2 LYS 28 HD2 LYS 28 -9.084 11.323 0.191 244 HD3 LYS 28 HD1 LYS 28 -8.712 12.925 -0.441 245 HE2 LYS 28 HE2 LYS 28 -10.539 10.913 -1.720 246 HE3 LYS 28 HE1 LYS 28 -11.064 12.306 -0.775 247 HZ1 LYS 28 HZ1 LYS 28 -10.079 13.759 -2.428 248 HZ2 LYS 28 HZ2 LYS 28 -11.175 12.708 -3.159 249 HZ3 LYS 28 HZ3 LYS 28 -9.526 12.434 -3.318 250 H LYS 29 HN LYS 29 -5.144 8.611 0.151 251 HA LYS 29 HA LYS 29 -3.056 9.733 1.660 252 HB2 LYS 29 HB2 LYS 29 -4.063 6.887 1.524 253 HB3 LYS 29 HB1 LYS 29 -2.787 7.421 2.613 254 HG2 LYS 29 HG2 LYS 29 -5.606 8.477 2.597 255 HG3 LYS 29 HG1 LYS 29 -4.940 7.317 3.758 256 HD2 LYS 29 HD2 LYS 29 -3.264 8.955 4.434 257 HD3 LYS 29 HD1 LYS 29 -3.907 10.095 3.261 258 HE2 LYS 29 HE2 LYS 29 -6.051 10.056 4.479 259 HE3 LYS 29 HE1 LYS 29 -5.271 9.047 5.704 260 HZ1 LYS 29 HZ1 LYS 29 -3.717 10.766 6.173 261 HZ2 LYS 29 HZ2 LYS 29 -5.228 11.518 6.201 262 HZ3 LYS 29 HZ3 LYS 29 -4.210 11.667 4.860 263 H LEU 30 HN LEU 30 -3.046 7.584 -1.041 264 HA LEU 30 HA LEU 30 -0.298 7.002 -1.050 265 HB2 LEU 30 HB2 LEU 30 -2.106 7.342 -3.438 266 HB3 LEU 30 HB1 LEU 30 -0.582 6.482 -3.408 267 HG LEU 30 HG LEU 30 -3.115 5.675 -1.994 268 HD11 LEU 30 HD11 LEU 30 -1.678 4.462 -4.345 269 HD12 LEU 30 HD12 LEU 30 -3.204 5.335 -4.396 270 HD13 LEU 30 HD13 LEU 30 -3.102 3.792 -3.551 271 HD21 LEU 30 HD21 LEU 30 -0.406 4.334 -2.077 272 HD22 LEU 30 HD22 LEU 30 -1.872 3.604 -1.444 273 HD23 LEU 30 HD23 LEU 30 -1.195 5.031 -0.661 274 H VAL 31 HN VAL 31 -2.190 9.609 -2.450 275 HA VAL 31 HA VAL 31 -0.115 10.861 -3.877 276 HB VAL 31 HB VAL 31 -2.705 12.021 -2.798 277 HG11 VAL 31 HG11 VAL 31 -1.104 13.796 -3.276 278 HG12 VAL 31 HG12 VAL 31 -2.436 13.793 -4.431 279 HG13 VAL 31 HG13 VAL 31 -0.857 13.146 -4.901 280 HG21 VAL 31 HG21 VAL 31 -3.048 10.190 -4.315 281 HG22 VAL 31 HG22 VAL 31 -1.985 10.935 -5.514 282 HG23 VAL 31 HG23 VAL 31 -3.518 11.705 -5.088 283 H GLU 32 HN GLU 32 -1.404 11.545 -0.600 284 HA GLU 32 HA GLU 32 0.444 13.636 -0.167 285 HB2 GLU 32 HB2 GLU 32 -0.211 13.446 2.256 286 HB3 GLU 32 HB1 GLU 32 -1.554 13.642 1.131 287 HG2 GLU 32 HG2 GLU 32 -2.146 11.396 1.309 288 HG3 GLU 32 HG1 GLU 32 -0.682 10.982 2.197 289 H VAL 33 HN VAL 33 0.517 10.204 0.629 290 HA VAL 33 HA VAL 33 2.740 10.368 2.295 291 HB VAL 33 HB VAL 33 1.011 8.459 2.094 292 HG11 VAL 33 HG11 VAL 33 1.706 6.476 0.865 293 HG12 VAL 33 HG12 VAL 33 3.039 7.387 0.159 294 HG13 VAL 33 HG13 VAL 33 1.378 7.842 -0.207 295 HG21 VAL 33 HG21 VAL 33 2.613 6.860 3.108 296 HG22 VAL 33 HG22 VAL 33 2.680 8.486 3.783 297 HG23 VAL 33 HG23 VAL 33 3.914 7.958 2.640 298 H LEU 34 HN LEU 34 2.566 10.177 -1.140 299 HA LEU 34 HA LEU 34 5.015 9.103 -1.815 300 HB2 LEU 34 HB2 LEU 34 3.430 11.241 -3.198 301 HB3 LEU 34 HB1 LEU 34 4.883 10.548 -3.882 302 HG LEU 34 HG LEU 34 2.349 9.043 -3.243 303 HD11 LEU 34 HD11 LEU 34 3.546 9.871 -5.880 304 HD12 LEU 34 HD12 LEU 34 2.102 10.552 -5.138 305 HD13 LEU 34 HD13 LEU 34 2.110 8.870 -5.663 306 HD21 LEU 34 HD21 LEU 34 4.928 8.153 -4.527 307 HD22 LEU 34 HD22 LEU 34 3.444 7.219 -4.516 308 HD23 LEU 34 HD23 LEU 34 4.260 7.579 -2.994 309 H GLU 35 HN GLU 35 4.488 12.266 -0.416 310 HA GLU 35 HA GLU 35 7.041 13.201 -1.326 311 HB2 GLU 35 HB2 GLU 35 6.732 15.161 0.090 312 HB3 GLU 35 HB1 GLU 35 5.273 14.841 -0.818 313 HG2 GLU 35 HG2 GLU 35 4.227 13.919 1.172 314 HG3 GLU 35 HG1 GLU 35 5.727 14.149 2.075 315 H SER 36 HN SER 36 5.976 11.310 1.341 316 HA SER 36 HA SER 36 8.704 10.843 2.163 317 HB2 SER 36 HB2 SER 36 6.675 11.789 4.211 318 HB3 SER 36 HB1 SER 36 8.360 11.363 4.509 319 HG SER 36 HG SER 36 8.331 13.190 2.630 320 HA PRO 37 HA PRO 37 5.687 7.317 2.506 321 HB2 PRO 37 HB2 PRO 37 6.756 5.594 0.781 322 HB3 PRO 37 HB1 PRO 37 5.776 6.950 0.226 323 HG2 PRO 37 HG2 PRO 37 8.760 6.717 0.328 324 HG3 PRO 37 HG1 PRO 37 7.737 7.306 -0.993 325 HD2 PRO 37 HD2 PRO 37 8.998 8.989 0.748 326 HD3 PRO 37 HD1 PRO 37 7.435 9.365 -0.020 327 H ARG 38 HN ARG 38 8.910 7.758 3.166 328 HA ARG 38 HA ARG 38 9.318 5.089 4.220 329 HB2 ARG 38 HB2 ARG 38 11.683 5.891 4.665 330 HB3 ARG 38 HB1 ARG 38 11.198 5.859 2.986 331 HG2 ARG 38 HG2 ARG 38 12.428 7.839 3.200 332 HG3 ARG 38 HG1 ARG 38 10.757 8.374 3.251 333 HD2 ARG 38 HD2 ARG 38 12.102 9.523 4.931 334 HD3 ARG 38 HD1 ARG 38 10.867 8.517 5.686 335 HE ARG 38 HE ARG 38 13.466 7.275 5.363 336 HH11 ARG 38 HH11 ARG 38 11.357 9.086 7.576 337 HH12 ARG 38 HH12 ARG 38 12.170 8.557 8.978 338 HH21 ARG 38 HH21 ARG 38 14.549 6.550 7.330 339 HH22 ARG 38 HH22 ARG 38 13.986 7.070 8.838 340 H ILE 39 HN ILE 39 7.348 6.409 5.519 341 HA ILE 39 HA ILE 39 8.393 7.604 7.943 342 HB ILE 39 HB ILE 39 5.539 6.915 7.148 343 HG12 ILE 39 HG12 ILE 39 6.970 9.566 7.307 344 HG13 ILE 39 HG11 ILE 39 6.616 8.694 5.821 345 HG21 ILE 39 HG21 ILE 39 4.817 8.259 9.061 346 HG22 ILE 39 HG22 ILE 39 6.496 8.532 9.507 347 HG23 ILE 39 HG23 ILE 39 5.815 6.906 9.610 348 HD11 ILE 39 HD11 ILE 39 4.590 9.838 7.735 349 HD12 ILE 39 HD12 ILE 39 4.228 8.969 6.239 350 HD13 ILE 39 HD13 ILE 39 5.064 10.519 6.177 351 H GLU 40 HN GLU 40 9.258 6.346 9.389 352 HA GLU 40 HA GLU 40 9.021 3.576 9.387 353 HB2 GLU 40 HB2 GLU 40 10.339 3.588 11.466 354 HB3 GLU 40 HB1 GLU 40 11.034 4.554 10.176 355 HG2 GLU 40 HG2 GLU 40 10.263 6.577 11.235 356 HG3 GLU 40 HG1 GLU 40 9.457 5.638 12.496 357 H ALA 41 HN ALA 41 7.136 5.907 11.058 358 HA ALA 41 HA ALA 41 6.093 4.209 13.086 359 HB1 ALA 41 HB1 ALA 41 4.354 5.908 13.361 360 HB2 ALA 41 HB2 ALA 41 4.854 6.667 11.850 361 HB3 ALA 41 HB3 ALA 41 5.948 6.650 13.233 362 H ASN 42 HN ASN 42 5.700 4.132 9.778 363 HA ASN 42 HA ASN 42 3.060 2.858 9.964 364 HB2 ASN 42 HB2 ASN 42 4.510 3.975 7.556 365 HB3 ASN 42 HB1 ASN 42 2.974 3.126 7.499 366 HD21 ASN 42 HD21 ASN 42 3.727 5.793 6.697 367 HD22 ASN 42 HD22 ASN 42 2.674 6.875 7.523 368 H LYS 43 HN LYS 43 6.174 1.928 10.164 369 HA LYS 43 HA LYS 43 6.320 0.028 8.038 370 HB2 LYS 43 HB2 LYS 43 7.999 0.366 10.493 371 HB3 LYS 43 HB1 LYS 43 8.199 -1.007 9.423 372 HG2 LYS 43 HG2 LYS 43 8.638 0.530 7.579 373 HG3 LYS 43 HG1 LYS 43 8.491 1.883 8.690 374 HD2 LYS 43 HD2 LYS 43 10.820 1.482 8.444 375 HD3 LYS 43 HD1 LYS 43 10.391 0.829 10.014 376 HE2 LYS 43 HE2 LYS 43 10.631 -0.858 7.503 377 HE3 LYS 43 HE1 LYS 43 11.968 -0.571 8.598 378 HZ1 LYS 43 HZ1 LYS 43 10.598 -1.665 10.364 379 HZ2 LYS 43 HZ2 LYS 43 11.064 -2.657 9.114 380 HZ3 LYS 43 HZ3 LYS 43 9.479 -2.150 9.182 381 H LEU 44 HN LEU 44 5.957 -2.009 7.921 382 HA LEU 44 HA LEU 44 4.614 -3.407 10.065 383 HB2 LEU 44 HB2 LEU 44 5.662 -4.344 7.386 384 HB3 LEU 44 HB1 LEU 44 4.743 -5.332 8.500 385 HG LEU 44 HG LEU 44 3.704 -2.894 7.055 386 HD11 LEU 44 HD11 LEU 44 4.104 -4.777 5.572 387 HD12 LEU 44 HD12 LEU 44 2.369 -4.544 5.823 388 HD13 LEU 44 HD13 LEU 44 3.220 -5.839 6.666 389 HD21 LEU 44 HD21 LEU 44 1.539 -3.582 7.921 390 HD22 LEU 44 HD22 LEU 44 2.663 -3.261 9.252 391 HD23 LEU 44 HD23 LEU 44 2.296 -4.919 8.785 392 H ARG 45 HN ARG 45 5.693 -4.530 11.511 393 HA ARG 45 HA ARG 45 8.558 -4.528 11.355 394 HB2 ARG 45 HB2 ARG 45 6.608 -5.258 13.528 395 HB3 ARG 45 HB1 ARG 45 8.358 -5.345 13.702 396 HG2 ARG 45 HG2 ARG 45 8.606 -3.012 13.471 397 HG3 ARG 45 HG1 ARG 45 6.957 -2.823 12.874 398 HD2 ARG 45 HD2 ARG 45 7.705 -3.716 15.650 399 HD3 ARG 45 HD1 ARG 45 7.248 -2.072 15.204 400 HE ARG 45 HE ARG 45 5.257 -3.763 14.305 401 HH11 ARG 45 HH11 ARG 45 6.590 -2.669 17.374 402 HH12 ARG 45 HH12 ARG 45 5.143 -2.866 18.243 403 HH21 ARG 45 HH21 ARG 45 3.251 -4.030 15.489 404 HH22 ARG 45 HH22 ARG 45 3.213 -3.701 17.153 405 H GLY 46 HN GLY 46 9.582 -6.113 10.497 406 HA2 GLY 46 HA2 GLY 46 10.075 -8.508 10.504 407 HA3 GLY 46 HA1 GLY 46 8.331 -8.784 10.463 408 H MET 47 HN MET 47 9.034 -6.098 8.705 409 HA MET 47 HA MET 47 9.441 -7.532 6.196 410 HB2 MET 47 HB2 MET 47 7.529 -5.228 6.691 411 HB3 MET 47 HB1 MET 47 7.873 -5.934 5.121 412 HG2 MET 47 HG2 MET 47 6.514 -7.317 7.434 413 HG3 MET 47 HG1 MET 47 5.715 -6.663 6.010 414 HE1 MET 47 HE1 MET 47 7.025 -9.081 3.190 415 HE2 MET 47 HE2 MET 47 7.726 -7.534 3.657 416 HE3 MET 47 HE3 MET 47 5.974 -7.713 3.557 417 HA PRO 48 HA PRO 48 12.909 -4.788 5.902 418 HB2 PRO 48 HB2 PRO 48 12.751 -4.240 3.155 419 HB3 PRO 48 HB1 PRO 48 13.614 -5.596 3.882 420 HG2 PRO 48 HG2 PRO 48 10.881 -5.501 2.677 421 HG3 PRO 48 HG1 PRO 48 12.092 -6.793 2.598 422 HD2 PRO 48 HD2 PRO 48 9.973 -7.000 4.192 423 HD3 PRO 48 HD1 PRO 48 11.560 -7.573 4.741 424 H ASP 49 HN ASP 49 10.774 -3.531 3.413 425 HA ASP 49 HA ASP 49 10.282 -1.173 5.021 426 HB2 ASP 49 HB2 ASP 49 11.422 -1.079 2.223 427 HB3 ASP 49 HB1 ASP 49 10.504 0.252 2.912 428 H CYS 50 HN CYS 50 8.312 -2.263 5.288 429 HA CYS 50 HA CYS 50 6.551 -1.715 3.044 430 HB2 CYS 50 HB2 CYS 50 6.333 -4.011 5.011 431 HB3 CYS 50 HB1 CYS 50 5.207 -3.654 3.703 432 HG CYS 50 HG CYS 50 7.735 -3.796 2.017 433 H TYR 51 HN TYR 51 4.656 -0.771 3.644 434 HA TYR 51 HA TYR 51 4.484 0.084 6.443 435 HB2 TYR 51 HB2 TYR 51 4.149 1.915 4.057 436 HB3 TYR 51 HB1 TYR 51 4.104 2.367 5.750 437 HD1 TYR 51 HD1 TYR 51 6.267 1.368 2.971 438 HD2 TYR 51 HD2 TYR 51 6.171 2.732 6.983 439 HE1 TYR 51 HE1 TYR 51 8.644 1.842 2.854 440 HE2 TYR 51 HE2 TYR 51 8.582 3.227 6.866 441 HH TYR 51 HH TYR 51 10.581 2.297 5.428 442 H LYS 52 HN LYS 52 2.373 0.751 7.000 443 HA LYS 52 HA LYS 52 0.356 0.012 5.036 444 HB2 LYS 52 HB2 LYS 52 -1.052 -1.059 6.665 445 HB3 LYS 52 HB1 LYS 52 0.530 -1.791 6.756 446 HG2 LYS 52 HG2 LYS 52 -0.565 0.240 8.722 447 HG3 LYS 52 HG1 LYS 52 -0.549 -1.503 8.968 448 HD2 LYS 52 HD2 LYS 52 1.951 -1.409 8.781 449 HD3 LYS 52 HD1 LYS 52 1.820 0.343 8.722 450 HE2 LYS 52 HE2 LYS 52 0.891 -1.408 10.996 451 HE3 LYS 52 HE1 LYS 52 2.365 -0.445 10.973 452 HZ1 LYS 52 HZ1 LYS 52 -0.406 0.631 10.839 453 HZ2 LYS 52 HZ2 LYS 52 0.999 1.566 10.843 454 HZ3 LYS 52 HZ3 LYS 52 0.600 0.643 12.180 455 H ILE 53 HN ILE 53 -1.324 1.271 4.873 456 HA ILE 53 HA ILE 53 -1.410 3.665 6.576 457 HB ILE 53 HB ILE 53 -2.612 3.257 3.803 458 HG12 ILE 53 HG12 ILE 53 -0.184 4.848 4.676 459 HG13 ILE 53 HG11 ILE 53 -0.192 3.417 3.664 460 HG21 ILE 53 HG21 ILE 53 -2.503 5.762 5.505 461 HG22 ILE 53 HG22 ILE 53 -3.940 4.810 5.156 462 HG23 ILE 53 HG23 ILE 53 -3.118 5.666 3.855 463 HD11 ILE 53 HD11 ILE 53 0.137 5.497 2.381 464 HD12 ILE 53 HD12 ILE 53 -1.436 6.050 2.932 465 HD13 ILE 53 HD13 ILE 53 -1.323 4.629 1.893 466 H LYS 54 HN LYS 54 -3.381 4.188 7.492 467 HA LYS 54 HA LYS 54 -5.360 2.079 7.376 468 HB2 LYS 54 HB2 LYS 54 -5.932 2.545 9.772 469 HB3 LYS 54 HB1 LYS 54 -4.320 1.902 9.571 470 HG2 LYS 54 HG2 LYS 54 -4.842 4.850 9.862 471 HG3 LYS 54 HG1 LYS 54 -4.637 3.787 11.251 472 HD2 LYS 54 HD2 LYS 54 -2.412 3.299 10.676 473 HD3 LYS 54 HD1 LYS 54 -2.559 3.951 9.053 474 HE2 LYS 54 HE2 LYS 54 -1.354 5.515 10.348 475 HE3 LYS 54 HE1 LYS 54 -2.972 6.155 10.063 476 HZ1 LYS 54 HZ1 LYS 54 -3.603 5.391 12.288 477 HZ2 LYS 54 HZ2 LYS 54 -2.359 6.523 12.335 478 HZ3 LYS 54 HZ3 LYS 54 -2.010 4.889 12.566 479 H LEU 55 HN LEU 55 -7.322 2.706 6.917 480 HA LEU 55 HA LEU 55 -7.659 5.448 6.161 481 HB2 LEU 55 HB2 LEU 55 -8.454 3.324 4.925 482 HB3 LEU 55 HB1 LEU 55 -9.765 3.308 6.083 483 HG LEU 55 HG LEU 55 -10.479 5.547 5.273 484 HD11 LEU 55 HD11 LEU 55 -9.492 6.386 3.226 485 HD12 LEU 55 HD12 LEU 55 -8.244 5.148 3.311 486 HD13 LEU 55 HD13 LEU 55 -8.345 6.397 4.556 487 HD21 LEU 55 HD21 LEU 55 -11.447 3.513 4.314 488 HD22 LEU 55 HD22 LEU 55 -10.157 3.473 3.113 489 HD23 LEU 55 HD23 LEU 55 -11.316 4.801 3.118 490 H ARG 56 HN ARG 56 -9.171 6.875 7.041 491 HA ARG 56 HA ARG 56 -9.541 6.584 9.876 492 HB2 ARG 56 HB2 ARG 56 -10.634 8.745 8.045 493 HB3 ARG 56 HB1 ARG 56 -10.505 8.805 9.790 494 HG2 ARG 56 HG2 ARG 56 -8.125 8.569 7.967 495 HG3 ARG 56 HG1 ARG 56 -8.764 10.099 8.567 496 HD2 ARG 56 HD2 ARG 56 -7.870 7.840 10.354 497 HD3 ARG 56 HD1 ARG 56 -6.825 9.167 9.853 498 HE ARG 56 HE ARG 56 -9.291 10.030 11.034 499 HH11 ARG 56 HH11 ARG 56 -6.036 8.911 11.832 500 HH12 ARG 56 HH12 ARG 56 -5.875 9.877 13.224 501 HH21 ARG 56 HH21 ARG 56 -9.100 11.335 12.960 502 HH22 ARG 56 HH22 ARG 56 -7.671 11.299 13.884 503 H SER 57 HN SER 57 -11.519 6.469 7.021 504 HA SER 57 HA SER 57 -13.858 5.789 8.611 505 HB2 SER 57 HB2 SER 57 -13.567 6.346 5.650 506 HB3 SER 57 HB1 SER 57 -15.087 6.109 6.516 507 HG SER 57 HG SER 57 -14.286 7.904 7.871 508 H SER 58 HN SER 58 -14.948 3.820 8.271 509 HA SER 58 HA SER 58 -15.384 1.724 7.722 510 HB2 SER 58 HB2 SER 58 -13.418 2.077 5.458 511 HB3 SER 58 HB1 SER 58 -14.606 0.776 5.608 512 HG SER 58 HG SER 58 -16.172 2.576 5.769 513 H GLY 59 HN GLY 59 -11.878 2.286 7.747 514 HA2 GLY 59 HA2 GLY 59 -10.455 1.211 9.354 515 HA3 GLY 59 HA1 GLY 59 -11.661 -0.059 9.510 516 H TYR 60 HN TYR 60 -10.424 1.151 6.483 517 HA TYR 60 HA TYR 60 -9.396 -1.507 5.916 518 HB2 TYR 60 HB2 TYR 60 -10.065 0.839 4.159 519 HB3 TYR 60 HB1 TYR 60 -9.060 -0.474 3.565 520 HD1 TYR 60 HD1 TYR 60 -12.400 0.197 5.088 521 HD2 TYR 60 HD2 TYR 60 -10.042 -2.371 2.671 522 HE1 TYR 60 HE1 TYR 60 -14.418 -1.082 4.485 523 HE2 TYR 60 HE2 TYR 60 -12.047 -3.659 2.064 524 HH TYR 60 HH TYR 60 -15.165 -2.518 2.697 525 H ARG 61 HN ARG 61 -7.319 -1.752 4.914 526 HA ARG 61 HA ARG 61 -5.408 0.309 5.692 527 HB2 ARG 61 HB2 ARG 61 -5.131 -2.671 6.155 528 HB3 ARG 61 HB1 ARG 61 -3.812 -1.537 6.292 529 HG2 ARG 61 HG2 ARG 61 -4.482 -2.064 8.498 530 HG3 ARG 61 HG1 ARG 61 -5.099 -0.449 8.186 531 HD2 ARG 61 HD2 ARG 61 -7.323 -1.231 7.997 532 HD3 ARG 61 HD1 ARG 61 -6.802 -2.904 7.805 533 HE ARG 61 HE ARG 61 -6.046 -1.683 10.280 534 HH11 ARG 61 HH11 ARG 61 -8.895 -3.093 8.806 535 HH12 ARG 61 HH12 ARG 61 -9.254 -4.173 10.085 536 HH21 ARG 61 HH21 ARG 61 -6.531 -3.128 12.108 537 HH22 ARG 61 HH22 ARG 61 -7.809 -4.244 12.016 538 H LEU 62 HN LEU 62 -3.568 0.319 4.394 539 HA LEU 62 HA LEU 62 -3.663 -1.361 1.992 540 HB2 LEU 62 HB2 LEU 62 -4.512 0.957 1.556 541 HB3 LEU 62 HB1 LEU 62 -2.985 1.590 2.114 542 HG LEU 62 HG LEU 62 -3.123 -0.227 -0.295 543 HD11 LEU 62 HD11 LEU 62 -4.655 1.613 -0.686 544 HD12 LEU 62 HD12 LEU 62 -3.185 1.794 -1.659 545 HD13 LEU 62 HD13 LEU 62 -3.411 2.767 -0.200 546 HD21 LEU 62 HD21 LEU 62 -0.923 0.201 0.675 547 HD22 LEU 62 HD22 LEU 62 -1.225 1.937 0.567 548 HD23 LEU 62 HD23 LEU 62 -1.085 0.972 -0.907 549 H VAL 63 HN VAL 63 -1.720 -2.308 1.496 550 HA VAL 63 HA VAL 63 0.534 -1.564 3.212 551 HB VAL 63 HB VAL 63 -0.291 -4.331 2.289 552 HG11 VAL 63 HG11 VAL 63 1.579 -5.154 3.675 553 HG12 VAL 63 HG12 VAL 63 2.097 -3.490 3.941 554 HG13 VAL 63 HG13 VAL 63 2.133 -4.178 2.315 555 HG21 VAL 63 HG21 VAL 63 -1.666 -3.535 4.111 556 HG22 VAL 63 HG22 VAL 63 -0.231 -3.067 5.021 557 HG23 VAL 63 HG23 VAL 63 -0.550 -4.769 4.702 558 H TYR 64 HN TYR 64 2.290 -1.008 2.196 559 HA TYR 64 HA TYR 64 2.785 -1.973 -0.507 560 HB2 TYR 64 HB2 TYR 64 3.391 0.314 -1.286 561 HB3 TYR 64 HB1 TYR 64 1.709 0.157 -0.849 562 HD1 TYR 64 HD2 TYR 64 4.925 1.219 0.802 563 HD2 TYR 64 HD1 TYR 64 0.773 1.852 0.278 564 HE1 TYR 64 HE2 TYR 64 5.055 3.204 2.240 565 HE2 TYR 64 HE1 TYR 64 0.877 3.819 1.686 566 HH TYR 64 HH TYR 64 3.840 5.221 2.657 567 H GLN 65 HN GLN 65 4.971 -1.719 -1.185 568 HA GLN 65 HA GLN 65 6.851 -1.399 1.051 569 HB2 GLN 65 HB2 GLN 65 8.445 -2.756 -0.241 570 HB3 GLN 65 HB1 GLN 65 6.992 -3.665 0.135 571 HG2 GLN 65 HG2 GLN 65 6.191 -3.458 -2.108 572 HG3 GLN 65 HG1 GLN 65 7.456 -2.299 -2.501 573 HE21 GLN 65 HE21 GLN 65 9.601 -3.745 -1.215 574 HE22 GLN 65 HE22 GLN 65 9.896 -5.125 -2.201 575 H VAL 66 HN VAL 66 8.557 0.031 0.739 576 HA VAL 66 HA VAL 66 8.258 1.523 -1.739 577 HB VAL 66 HB VAL 66 9.315 3.427 -0.814 578 HG11 VAL 66 HG11 VAL 66 7.912 4.021 1.115 579 HG12 VAL 66 HG12 VAL 66 7.321 2.353 1.120 580 HG13 VAL 66 HG13 VAL 66 7.044 3.378 -0.280 581 HG21 VAL 66 HG21 VAL 66 10.119 3.510 1.604 582 HG22 VAL 66 HG22 VAL 66 11.112 2.628 0.458 583 HG23 VAL 66 HG23 VAL 66 10.090 1.734 1.564 584 H ILE 67 HN ILE 67 9.658 1.293 -3.235 585 HA ILE 67 HA ILE 67 12.146 -0.006 -2.505 586 HB ILE 67 HB ILE 67 11.045 0.519 -5.293 587 HG12 ILE 67 HG12 ILE 67 10.869 -2.040 -3.672 588 HG13 ILE 67 HG11 ILE 67 9.523 -0.948 -3.961 589 HG21 ILE 67 HG21 ILE 67 13.185 -1.349 -4.253 590 HG22 ILE 67 HG22 ILE 67 13.460 0.146 -5.147 591 HG23 ILE 67 HG23 ILE 67 12.662 -1.219 -5.932 592 HD11 ILE 67 HD11 ILE 67 9.436 -2.879 -5.432 593 HD12 ILE 67 HD12 ILE 67 11.039 -2.482 -6.058 594 HD13 ILE 67 HD13 ILE 67 9.681 -1.396 -6.357 595 H ASP 68 HN ASP 68 13.274 1.660 -1.706 596 HA ASP 68 HA ASP 68 13.194 4.309 -2.794 597 HB2 ASP 68 HB2 ASP 68 13.683 3.915 -0.418 598 HB3 ASP 68 HB1 ASP 68 15.148 3.045 -0.851 599 H GLU 69 HN GLU 69 14.970 1.508 -3.333 600 HA GLU 69 HA GLU 69 17.224 2.430 -4.709 601 HB2 GLU 69 HB2 GLU 69 15.621 -0.090 -5.138 602 HB3 GLU 69 HB1 GLU 69 17.277 0.173 -5.662 603 HG2 GLU 69 HG2 GLU 69 18.036 0.284 -3.386 604 HG3 GLU 69 HG1 GLU 69 16.381 0.224 -2.791 605 H LYS 70 HN LYS 70 13.893 1.856 -5.749 606 HA LYS 70 HA LYS 70 14.589 2.690 -8.483 607 HB2 LYS 70 HB2 LYS 70 12.229 1.164 -7.420 608 HB3 LYS 70 HB1 LYS 70 12.352 1.706 -9.090 609 HG2 LYS 70 HG2 LYS 70 14.308 0.274 -9.380 610 HG3 LYS 70 HG1 LYS 70 14.196 -0.219 -7.688 611 HD2 LYS 70 HD2 LYS 70 11.953 -1.138 -8.108 612 HD3 LYS 70 HD1 LYS 70 12.082 -0.660 -9.800 613 HE2 LYS 70 HE2 LYS 70 13.978 -2.165 -10.090 614 HE3 LYS 70 HE1 LYS 70 13.904 -2.609 -8.391 615 HZ1 LYS 70 HZ1 LYS 70 12.834 -4.263 -9.752 616 HZ2 LYS 70 HZ2 LYS 70 11.774 -3.109 -10.387 617 HZ3 LYS 70 HZ3 LYS 70 11.690 -3.520 -8.769 618 H VAL 71 HN VAL 71 13.358 3.920 -5.681 619 HA VAL 71 HA VAL 71 12.236 5.773 -5.053 620 HB VAL 71 HB VAL 71 12.457 6.700 -7.967 621 HG11 VAL 71 HG11 VAL 71 12.269 8.322 -5.421 622 HG12 VAL 71 HG12 VAL 71 11.000 8.126 -6.630 623 HG13 VAL 71 HG13 VAL 71 12.488 8.979 -7.045 624 HG21 VAL 71 HG21 VAL 71 14.662 6.026 -7.177 625 HG22 VAL 71 HG22 VAL 71 14.477 7.042 -5.747 626 HG23 VAL 71 HG23 VAL 71 14.581 7.781 -7.344 627 H VAL 72 HN VAL 72 10.757 3.489 -5.725 628 HA VAL 72 HA VAL 72 8.216 4.700 -6.535 629 HB VAL 72 HB VAL 72 9.083 3.440 -8.492 630 HG11 VAL 72 HG11 VAL 72 9.263 1.018 -8.468 631 HG12 VAL 72 HG12 VAL 72 8.954 1.020 -6.727 632 HG13 VAL 72 HG13 VAL 72 10.407 1.792 -7.367 633 HG21 VAL 72 HG21 VAL 72 7.107 2.048 -8.931 634 HG22 VAL 72 HG22 VAL 72 6.658 3.590 -8.199 635 HG23 VAL 72 HG23 VAL 72 6.684 2.126 -7.223 636 H VAL 73 HN VAL 73 6.511 4.111 -5.418 637 HA VAL 73 HA VAL 73 6.838 2.365 -3.118 638 HB VAL 73 HB VAL 73 4.644 4.313 -3.886 639 HG11 VAL 73 HG11 VAL 73 5.116 2.852 -1.300 640 HG12 VAL 73 HG12 VAL 73 3.816 2.554 -2.456 641 HG13 VAL 73 HG13 VAL 73 3.882 4.081 -1.578 642 HG21 VAL 73 HG21 VAL 73 6.683 5.503 -3.430 643 HG22 VAL 73 HG22 VAL 73 6.896 4.639 -1.910 644 HG23 VAL 73 HG23 VAL 73 5.545 5.757 -2.109 645 H PHE 74 HN PHE 74 6.140 0.356 -3.431 646 HA PHE 74 HA PHE 74 4.326 -0.180 -5.669 647 HB2 PHE 74 HB2 PHE 74 6.560 -1.156 -5.845 648 HB3 PHE 74 HB1 PHE 74 6.371 -1.914 -4.279 649 HD1 PHE 74 HD2 PHE 74 4.955 -1.857 -7.707 650 HD2 PHE 74 HD1 PHE 74 5.546 -4.081 -4.133 651 HE1 PHE 74 HE2 PHE 74 4.114 -3.874 -8.821 652 HE2 PHE 74 HE1 PHE 74 4.711 -6.102 -5.244 653 HZ PHE 74 HZ PHE 74 3.998 -5.999 -7.594 654 H VAL 75 HN VAL 75 2.304 -0.389 -4.966 655 HA VAL 75 HA VAL 75 1.659 -1.280 -2.316 656 HB VAL 75 HB VAL 75 -0.190 -0.883 -4.697 657 HG11 VAL 75 HG11 VAL 75 -1.213 -2.299 -2.992 658 HG12 VAL 75 HG12 VAL 75 -2.001 -0.723 -3.018 659 HG13 VAL 75 HG13 VAL 75 -0.843 -1.107 -1.750 660 HG21 VAL 75 HG21 VAL 75 -0.741 1.285 -3.678 661 HG22 VAL 75 HG22 VAL 75 0.959 1.186 -4.134 662 HG23 VAL 75 HG23 VAL 75 0.489 1.009 -2.445 663 H ILE 76 HN ILE 76 1.464 -3.272 -1.675 664 HA ILE 76 HA ILE 76 1.684 -5.399 -3.668 665 HB ILE 76 HB ILE 76 1.886 -5.590 -0.651 666 HG12 ILE 76 HG12 ILE 76 4.143 -5.387 -2.659 667 HG13 ILE 76 HG11 ILE 76 3.602 -4.064 -1.636 668 HG21 ILE 76 HG21 ILE 76 2.767 -7.474 -2.845 669 HG22 ILE 76 HG22 ILE 76 1.399 -7.709 -1.755 670 HG23 ILE 76 HG23 ILE 76 3.043 -7.705 -1.118 671 HD11 ILE 76 HD11 ILE 76 4.728 -6.680 -0.671 672 HD12 ILE 76 HD12 ILE 76 4.222 -5.329 0.347 673 HD13 ILE 76 HD13 ILE 76 5.593 -5.144 -0.747 674 H SER 77 HN SER 77 -0.316 -4.345 -0.920 675 HA SER 77 HA SER 77 -2.534 -5.867 -1.945 676 HB2 SER 77 HB2 SER 77 -1.398 -6.381 0.819 677 HB3 SER 77 HB1 SER 77 -2.902 -7.051 0.188 678 HG SER 77 HG SER 77 -0.938 -7.523 -1.544 679 H VAL 78 HN VAL 78 -4.506 -5.237 -0.942 680 HA VAL 78 HA VAL 78 -4.471 -3.030 0.875 681 HB VAL 78 HB VAL 78 -4.206 -1.922 -1.323 682 HG11 VAL 78 HG11 VAL 78 -5.173 -3.559 -2.780 683 HG12 VAL 78 HG12 VAL 78 -5.949 -1.995 -3.024 684 HG13 VAL 78 HG13 VAL 78 -6.776 -3.256 -2.110 685 HG21 VAL 78 HG21 VAL 78 -5.452 -0.754 0.373 686 HG22 VAL 78 HG22 VAL 78 -6.958 -1.516 -0.167 687 HG23 VAL 78 HG23 VAL 78 -6.091 -0.394 -1.226 688 H GLY 79 HN GLY 79 -6.374 -2.980 2.080 689 HA2 GLY 79 HA2 GLY 79 -8.873 -3.681 1.615 690 HA3 GLY 79 HA1 GLY 79 -8.104 -5.266 1.656 691 H LYS 80 HN LYS 80 -8.901 -6.064 3.528 692 HA LYS 80 HA LYS 80 -8.512 -4.387 5.869 693 HB2 LYS 80 HB2 LYS 80 -10.048 -6.972 5.608 694 HB3 LYS 80 HB1 LYS 80 -9.940 -6.000 7.071 695 HG2 LYS 80 HG2 LYS 80 -11.019 -4.126 5.842 696 HG3 LYS 80 HG1 LYS 80 -11.222 -5.200 4.464 697 HD2 LYS 80 HD2 LYS 80 -12.381 -5.610 7.216 698 HD3 LYS 80 HD1 LYS 80 -13.273 -5.032 5.811 699 HE2 LYS 80 HE2 LYS 80 -12.821 -7.173 4.675 700 HE3 LYS 80 HE1 LYS 80 -11.955 -7.733 6.103 701 HZ1 LYS 80 HZ1 LYS 80 -14.201 -8.582 6.107 702 HZ2 LYS 80 HZ2 LYS 80 -14.845 -7.036 6.000 703 HZ3 LYS 80 HZ3 LYS 80 -14.016 -7.505 7.372 704 H ALA 81 HN ALA 81 -6.376 -4.542 6.155 705 HA ALA 81 HA ALA 81 -5.081 -7.118 6.465 706 HB1 ALA 81 HB1 ALA 81 -3.883 -5.235 5.413 707 HB2 ALA 81 HB2 ALA 81 -3.073 -5.798 6.873 708 HB3 ALA 81 HB3 ALA 81 -4.030 -4.319 6.913 709 H GLU 82 HN GLU 82 -4.947 -8.121 8.396 710 HA GLU 82 HA GLU 82 -5.272 -6.457 10.774 711 HB2 GLU 82 HB2 GLU 82 -7.481 -7.401 10.206 712 HB3 GLU 82 HB1 GLU 82 -6.799 -9.013 10.267 713 HG2 GLU 82 HG2 GLU 82 -8.083 -8.504 12.268 714 HG3 GLU 82 HG1 GLU 82 -6.386 -8.771 12.656 715 H ALA 83 HN ALA 83 -4.158 -9.480 9.342 716 HA ALA 83 HA ALA 83 -2.193 -9.582 11.446 717 HB1 ALA 83 HB1 ALA 83 -4.046 -10.847 12.408 718 HB2 ALA 83 HB2 ALA 83 -2.640 -11.877 12.121 719 HB3 ALA 83 HB3 ALA 83 -4.018 -11.941 11.030 720 H SER 84 HN SER 84 -3.237 -12.071 9.062 721 HA SER 84 HA SER 84 -0.428 -11.970 8.214 722 HB2 SER 84 HB2 SER 84 -1.009 -13.970 9.559 723 HB3 SER 84 HB1 SER 84 -2.169 -14.438 8.323 724 HG SER 84 HG SER 84 -0.469 -14.680 6.865 725 H GLU 85 HN GLU 85 -3.578 -11.486 6.968 726 HA GLU 85 HA GLU 85 -3.416 -12.873 4.563 727 HB2 GLU 85 HB2 GLU 85 -5.156 -11.295 3.743 728 HB3 GLU 85 HB1 GLU 85 -5.591 -12.185 5.176 729 HG2 GLU 85 HG2 GLU 85 -4.611 -9.340 5.132 730 HG3 GLU 85 HG1 GLU 85 -6.316 -9.794 5.128 731 H VAL 86 HN VAL 86 -2.293 -9.691 5.332 732 HA VAL 86 HA VAL 86 -1.557 -9.264 2.570 733 HB VAL 86 HB VAL 86 -0.649 -7.055 3.326 734 HG11 VAL 86 HG11 VAL 86 -3.466 -7.653 4.213 735 HG12 VAL 86 HG12 VAL 86 -2.954 -7.288 2.568 736 HG13 VAL 86 HG13 VAL 86 -2.808 -6.064 3.825 737 HG21 VAL 86 HG21 VAL 86 -1.660 -7.984 6.024 738 HG22 VAL 86 HG22 VAL 86 -1.186 -6.337 5.660 739 HG23 VAL 86 HG23 VAL 86 0.017 -7.632 5.602 740 H TYR 87 HN TYR 87 -0.014 -10.246 5.516 741 HA TYR 87 HA TYR 87 2.680 -9.849 4.699 742 HB2 TYR 87 HB2 TYR 87 1.414 -11.560 6.819 743 HB3 TYR 87 HB1 TYR 87 3.128 -11.671 6.469 744 HD1 TYR 87 HD2 TYR 87 0.509 -9.174 7.395 745 HD2 TYR 87 HD1 TYR 87 4.601 -10.299 7.581 746 HE1 TYR 87 HE2 TYR 87 0.945 -7.325 8.953 747 HE2 TYR 87 HE1 TYR 87 5.048 -8.462 9.142 748 HH TYR 87 HH TYR 87 2.612 -6.843 10.729 749 H SER 88 HN SER 88 0.528 -12.654 4.703 750 HA SER 88 HA SER 88 2.309 -14.507 3.695 751 HB2 SER 88 HB2 SER 88 -0.679 -14.336 3.367 752 HB3 SER 88 HB1 SER 88 0.292 -15.783 3.104 753 HG SER 88 HG SER 88 1.025 -15.146 5.420 754 H GLU 89 HN GLU 89 0.165 -12.254 2.010 755 HA GLU 89 HA GLU 89 0.710 -13.347 -0.546 756 HB2 GLU 89 HB2 GLU 89 -1.228 -11.776 0.304 757 HB3 GLU 89 HB1 GLU 89 -0.121 -10.501 -0.181 758 HG2 GLU 89 HG2 GLU 89 -1.641 -10.960 -1.991 759 HG3 GLU 89 HG1 GLU 89 -0.020 -11.492 -2.442 760 H ALA 90 HN ALA 90 2.000 -10.657 1.351 761 HA ALA 90 HA ALA 90 3.713 -9.616 -0.605 762 HB1 ALA 90 HB1 ALA 90 4.033 -9.489 2.387 763 HB2 ALA 90 HB2 ALA 90 3.051 -8.391 1.419 764 HB3 ALA 90 HB3 ALA 90 4.804 -8.428 1.209 765 H VAL 91 HN VAL 91 4.378 -11.962 1.997 766 HA VAL 91 HA VAL 91 7.110 -12.182 1.354 767 HB VAL 91 HB VAL 91 6.213 -12.864 3.573 768 HG11 VAL 91 HG11 VAL 91 5.199 -15.054 3.911 769 HG12 VAL 91 HG12 VAL 91 5.132 -15.282 2.163 770 HG13 VAL 91 HG13 VAL 91 4.199 -13.992 2.919 771 HG21 VAL 91 HG21 VAL 91 7.724 -15.033 2.143 772 HG22 VAL 91 HG22 VAL 91 7.613 -14.860 3.895 773 HG23 VAL 91 HG23 VAL 91 8.427 -13.621 2.935 774 H LYS 92 HN LYS 92 4.320 -13.867 0.094 775 HA LYS 92 HA LYS 92 5.938 -15.684 -1.419 776 HB2 LYS 92 HB2 LYS 92 3.080 -15.284 -1.011 777 HB3 LYS 92 HB1 LYS 92 3.468 -15.642 -2.682 778 HG2 LYS 92 HG2 LYS 92 2.956 -17.705 -1.579 779 HG3 LYS 92 HG1 LYS 92 4.681 -17.674 -1.917 780 HD2 LYS 92 HD2 LYS 92 4.401 -18.575 0.271 781 HD3 LYS 92 HD1 LYS 92 5.029 -16.943 0.464 782 HE2 LYS 92 HE2 LYS 92 3.264 -17.411 2.084 783 HE3 LYS 92 HE1 LYS 92 2.778 -16.134 0.981 784 HZ1 LYS 92 HZ1 LYS 92 1.019 -17.785 1.436 785 HZ2 LYS 92 HZ2 LYS 92 1.962 -18.979 0.740 786 HZ3 LYS 92 HZ3 LYS 92 1.392 -17.695 -0.207 787 H ARG 93 HN ARG 93 4.586 -12.529 -1.928 788 HA ARG 93 HA ARG 93 4.769 -12.548 -4.775 789 HB2 ARG 93 HB2 ARG 93 3.330 -11.067 -3.103 790 HB3 ARG 93 HB1 ARG 93 4.723 -10.010 -3.211 791 HG2 ARG 93 HG2 ARG 93 3.105 -9.280 -4.816 792 HG3 ARG 93 HG1 ARG 93 4.448 -10.022 -5.698 793 HD2 ARG 93 HD2 ARG 93 3.193 -12.113 -5.868 794 HD3 ARG 93 HD1 ARG 93 1.872 -11.398 -4.958 795 HE ARG 93 HE ARG 93 2.189 -9.757 -7.107 796 HH11 ARG 93 HH11 ARG 93 1.542 -13.207 -6.654 797 HH12 ARG 93 HH12 ARG 93 0.682 -13.398 -8.106 798 HH21 ARG 93 HH21 ARG 93 0.976 -9.967 -9.001 799 HH22 ARG 93 HH22 ARG 93 0.350 -11.479 -9.516 800 H ILE 94 HN ILE 94 6.709 -11.184 -2.175 801 HA ILE 94 HA ILE 94 8.611 -10.119 -4.076 802 HB ILE 94 HB ILE 94 8.759 -10.104 -1.046 803 HG12 ILE 94 HG12 ILE 94 7.783 -7.898 -2.858 804 HG13 ILE 94 HG11 ILE 94 6.702 -9.022 -2.042 805 HG21 ILE 94 HG21 ILE 94 10.908 -9.673 -2.180 806 HG22 ILE 94 HG22 ILE 94 10.306 -8.207 -1.407 807 HG23 ILE 94 HG23 ILE 94 10.146 -8.414 -3.150 808 HD11 ILE 94 HD11 ILE 94 7.515 -8.272 0.095 809 HD12 ILE 94 HD12 ILE 94 6.875 -6.932 -0.861 810 HD13 ILE 94 HD13 ILE 94 8.628 -7.149 -0.698 811 H LEU 95 HN LEU 95 9.263 -12.055 -4.978 812 HA LEU 95 HA LEU 95 11.670 -13.072 -4.066 813 HB2 LEU 95 HB2 LEU 95 10.121 -14.299 -2.471 814 HB3 LEU 95 HB1 LEU 95 9.379 -15.050 -3.862 815 HG LEU 95 HG LEU 95 11.516 -16.150 -4.402 816 HD11 LEU 95 HD11 LEU 95 13.066 -14.540 -3.454 817 HD12 LEU 95 HD12 LEU 95 13.332 -16.133 -2.748 818 HD13 LEU 95 HD13 LEU 95 12.465 -14.898 -1.836 819 HD21 LEU 95 HD21 LEU 95 9.878 -17.315 -3.058 820 HD22 LEU 95 HD22 LEU 95 10.526 -16.578 -1.593 821 HD23 LEU 95 HD23 LEU 95 11.505 -17.719 -2.519 Start of MODEL 13 1 H MET 1 H MET 1 10.054 16.492 -2.164 2 HA MET 1 HA MET 1 11.432 14.854 -3.209 3 HB2 MET 1 HB2 MET 1 12.602 14.208 -1.030 4 HB3 MET 1 HB1 MET 1 11.145 13.321 -0.610 5 HG2 MET 1 HG2 MET 1 11.437 11.913 -2.582 6 HG3 MET 1 HG1 MET 1 12.899 12.805 -2.988 7 HE1 MET 1 HE1 MET 1 14.355 10.624 -3.132 8 HE2 MET 1 HE2 MET 1 12.893 9.688 -2.830 9 HE3 MET 1 HE3 MET 1 14.351 9.374 -1.888 10 H ALA 2 HN ALA 2 10.332 13.172 -4.319 11 HA ALA 2 HA ALA 2 7.770 12.338 -3.234 12 HB1 ALA 2 HB1 ALA 2 7.276 14.239 -4.714 13 HB2 ALA 2 HB2 ALA 2 6.663 12.721 -5.364 14 HB3 ALA 2 HB3 ALA 2 8.137 13.431 -6.029 15 H TYR 3 HN TYR 3 7.043 10.403 -4.201 16 HA TYR 3 HA TYR 3 9.150 8.895 -5.590 17 HB2 TYR 3 HB2 TYR 3 7.155 7.909 -3.518 18 HB3 TYR 3 HB1 TYR 3 8.138 6.866 -4.511 19 HD1 TYR 3 HD2 TYR 3 8.851 9.881 -2.365 20 HD2 TYR 3 HD1 TYR 3 9.795 5.847 -3.310 21 HE1 TYR 3 HE2 TYR 3 10.572 9.880 -0.610 22 HE2 TYR 3 HE1 TYR 3 11.517 5.833 -1.561 23 HH TYR 3 HH TYR 3 12.711 7.102 -0.147 24 H PHE 4 HN PHE 4 8.081 6.928 -6.645 25 HA PHE 4 HA PHE 4 5.767 7.791 -8.207 26 HB2 PHE 4 HB2 PHE 4 7.625 5.409 -8.437 27 HB3 PHE 4 HB1 PHE 4 6.302 5.721 -9.546 28 HD1 PHE 4 HD2 PHE 4 9.643 6.709 -8.458 29 HD2 PHE 4 HD1 PHE 4 6.468 7.504 -11.168 30 HE1 PHE 4 HE2 PHE 4 11.156 8.076 -9.811 31 HE2 PHE 4 HE1 PHE 4 7.970 8.868 -12.532 32 HZ PHE 4 HZ PHE 4 10.331 9.159 -11.855 33 H LEU 5 HN LEU 5 3.960 6.233 -8.438 34 HA LEU 5 HA LEU 5 3.722 4.415 -6.123 35 HB2 LEU 5 HB2 LEU 5 2.348 6.652 -6.126 36 HB3 LEU 5 HB1 LEU 5 1.400 5.887 -7.369 37 HG LEU 5 HG LEU 5 0.267 5.776 -5.220 38 HD11 LEU 5 HD11 LEU 5 1.207 3.090 -6.132 39 HD12 LEU 5 HD12 LEU 5 -0.270 3.941 -6.625 40 HD13 LEU 5 HD13 LEU 5 -0.076 3.356 -4.966 41 HD21 LEU 5 HD21 LEU 5 2.194 5.855 -3.755 42 HD22 LEU 5 HD22 LEU 5 2.626 4.208 -4.239 43 HD23 LEU 5 HD23 LEU 5 1.137 4.502 -3.358 44 H ASP 6 HN ASP 6 3.227 2.332 -6.755 45 HA ASP 6 HA ASP 6 1.698 1.953 -9.190 46 HB2 ASP 6 HB2 ASP 6 4.202 1.853 -9.776 47 HB3 ASP 6 HB1 ASP 6 4.251 0.364 -8.838 48 H PHE 7 HN PHE 7 0.874 -0.333 -9.364 49 HA PHE 7 HA PHE 7 0.457 -1.363 -6.630 50 HB2 PHE 7 HB2 PHE 7 -1.485 -1.328 -8.938 51 HB3 PHE 7 HB1 PHE 7 -1.782 -2.052 -7.369 52 HD1 PHE 7 HD2 PHE 7 -1.411 1.107 -9.220 53 HD2 PHE 7 HD1 PHE 7 -2.420 -0.698 -5.502 54 HE1 PHE 7 HE2 PHE 7 -2.394 3.228 -8.460 55 HE2 PHE 7 HE1 PHE 7 -3.408 1.416 -4.740 56 HZ PHE 7 HZ PHE 7 -3.400 3.382 -6.217 57 H ASP 8 HN ASP 8 0.513 -3.516 -6.311 58 HA ASP 8 HA ASP 8 1.556 -5.318 -8.302 59 HB2 ASP 8 HB2 ASP 8 2.123 -5.513 -5.861 60 HB3 ASP 8 HB1 ASP 8 0.439 -5.928 -5.542 61 H GLU 9 HN GLU 9 0.393 -7.262 -9.003 62 HA GLU 9 HA GLU 9 -2.180 -6.786 -9.903 63 HB2 GLU 9 HB2 GLU 9 -2.355 -9.175 -10.424 64 HB3 GLU 9 HB1 GLU 9 -0.789 -8.542 -10.898 65 HG2 GLU 9 HG2 GLU 9 0.305 -9.637 -9.145 66 HG3 GLU 9 HG1 GLU 9 -1.200 -9.930 -8.278 67 H ARG 10 HN ARG 10 -1.144 -8.333 -6.853 68 HA ARG 10 HA ARG 10 -3.727 -9.231 -6.096 69 HB2 ARG 10 HB2 ARG 10 -1.304 -8.535 -4.427 70 HB3 ARG 10 HB1 ARG 10 -2.805 -9.099 -3.715 71 HG2 ARG 10 HG2 ARG 10 -1.085 -10.618 -5.665 72 HG3 ARG 10 HG1 ARG 10 -1.200 -10.902 -3.925 73 HD2 ARG 10 HD2 ARG 10 -3.422 -11.194 -5.946 74 HD3 ARG 10 HD1 ARG 10 -2.570 -12.509 -5.151 75 HE ARG 10 HE ARG 10 -3.543 -11.548 -3.020 76 HH11 ARG 10 HH11 ARG 10 -5.277 -11.444 -6.119 77 HH12 ARG 10 HH12 ARG 10 -6.805 -11.212 -5.401 78 HH21 ARG 10 HH21 ARG 10 -5.555 -11.312 -2.083 79 HH22 ARG 10 HH22 ARG 10 -6.992 -11.148 -3.003 80 H ALA 11 HN ALA 11 -1.964 -6.301 -5.483 81 HA ALA 11 HA ALA 11 -3.884 -5.036 -3.897 82 HB1 ALA 11 HB1 ALA 11 -1.854 -3.790 -5.737 83 HB2 ALA 11 HB2 ALA 11 -1.581 -4.255 -4.060 84 HB3 ALA 11 HB3 ALA 11 -2.723 -2.966 -4.443 85 H LEU 12 HN LEU 12 -3.387 -5.073 -7.408 86 HA LEU 12 HA LEU 12 -5.286 -3.091 -8.023 87 HB2 LEU 12 HB2 LEU 12 -4.018 -5.276 -9.605 88 HB3 LEU 12 HB1 LEU 12 -5.238 -4.238 -10.309 89 HG LEU 12 HG LEU 12 -2.662 -3.228 -9.109 90 HD11 LEU 12 HD11 LEU 12 -2.200 -4.616 -11.056 91 HD12 LEU 12 HD12 LEU 12 -1.949 -2.912 -11.442 92 HD13 LEU 12 HD13 LEU 12 -3.412 -3.737 -11.984 93 HD21 LEU 12 HD21 LEU 12 -3.265 -1.165 -10.325 94 HD22 LEU 12 HD22 LEU 12 -4.481 -1.578 -9.121 95 HD23 LEU 12 HD23 LEU 12 -4.779 -1.915 -10.820 96 H LYS 13 HN LYS 13 -5.547 -6.581 -7.939 97 HA LYS 13 HA LYS 13 -8.173 -6.711 -8.908 98 HB2 LYS 13 HB2 LYS 13 -6.594 -8.596 -7.164 99 HB3 LYS 13 HB1 LYS 13 -8.144 -8.993 -7.905 100 HG2 LYS 13 HG2 LYS 13 -7.278 -8.903 -10.068 101 HG3 LYS 13 HG1 LYS 13 -5.841 -8.029 -9.546 102 HD2 LYS 13 HD2 LYS 13 -5.029 -9.945 -8.410 103 HD3 LYS 13 HD1 LYS 13 -6.482 -10.883 -8.804 104 HE2 LYS 13 HE2 LYS 13 -5.972 -10.587 -11.210 105 HE3 LYS 13 HE1 LYS 13 -4.509 -9.713 -10.786 106 HZ1 LYS 13 HZ1 LYS 13 -4.200 -12.061 -11.412 107 HZ2 LYS 13 HZ2 LYS 13 -4.988 -12.556 -10.013 108 HZ3 LYS 13 HZ3 LYS 13 -3.532 -11.700 -9.931 109 H GLU 14 HN GLU 14 -6.902 -6.576 -5.620 110 HA GLU 14 HA GLU 14 -9.431 -6.653 -4.367 111 HB2 GLU 14 HB2 GLU 14 -6.757 -5.676 -3.369 112 HB3 GLU 14 HB1 GLU 14 -8.166 -5.968 -2.356 113 HG2 GLU 14 HG2 GLU 14 -6.861 -8.063 -4.061 114 HG3 GLU 14 HG1 GLU 14 -6.457 -7.840 -2.373 115 H TRP 15 HN TRP 15 -7.341 -4.055 -5.442 116 HA TRP 15 HA TRP 15 -8.628 -1.813 -4.330 117 HB2 TRP 15 HB2 TRP 15 -6.359 -1.793 -5.274 118 HB3 TRP 15 HB1 TRP 15 -7.003 -2.142 -6.862 119 HD1 TRP 15 HD1 TRP 15 -7.946 -0.115 -8.260 120 HE1 TRP 15 HE1 TRP 15 -7.718 2.421 -8.003 121 HE3 TRP 15 HE3 TRP 15 -6.222 0.035 -3.459 122 HZ2 TRP 15 HZ2 TRP 15 -6.880 4.260 -6.017 123 HZ3 TRP 15 HZ3 TRP 15 -5.715 2.223 -2.460 124 HH2 TRP 15 HH2 TRP 15 -6.037 4.285 -3.713 125 H ARG 16 HN ARG 16 -9.027 -3.404 -7.474 126 HA ARG 16 HA ARG 16 -11.060 -1.591 -8.325 127 HB2 ARG 16 HB2 ARG 16 -10.342 -4.328 -9.377 128 HB3 ARG 16 HB1 ARG 16 -11.445 -3.210 -10.170 129 HG2 ARG 16 HG2 ARG 16 -9.647 -1.600 -10.416 130 HG3 ARG 16 HG1 ARG 16 -8.532 -2.705 -9.607 131 HD2 ARG 16 HD2 ARG 16 -8.190 -2.897 -11.964 132 HD3 ARG 16 HD1 ARG 16 -8.999 -4.355 -11.388 133 HE ARG 16 HE ARG 16 -10.994 -2.646 -12.206 134 HH11 ARG 16 HH11 ARG 16 -8.216 -4.246 -13.730 135 HH12 ARG 16 HH12 ARG 16 -8.917 -4.328 -15.267 136 HH21 ARG 16 HH21 ARG 16 -11.975 -2.766 -14.344 137 HH22 ARG 16 HH22 ARG 16 -11.112 -3.483 -15.621 138 H LYS 17 HN LYS 17 -11.008 -4.495 -6.522 139 HA LYS 17 HA LYS 17 -13.793 -5.102 -6.683 140 HB2 LYS 17 HB2 LYS 17 -11.969 -6.710 -6.080 141 HB3 LYS 17 HB1 LYS 17 -11.780 -5.849 -4.566 142 HG2 LYS 17 HG2 LYS 17 -14.058 -6.468 -3.934 143 HG3 LYS 17 HG1 LYS 17 -14.247 -7.333 -5.461 144 HD2 LYS 17 HD2 LYS 17 -13.683 -8.972 -3.836 145 HD3 LYS 17 HD1 LYS 17 -12.230 -8.688 -4.798 146 HE2 LYS 17 HE2 LYS 17 -11.409 -7.161 -3.018 147 HE3 LYS 17 HE1 LYS 17 -12.824 -7.581 -2.055 148 HZ1 LYS 17 HZ1 LYS 17 -12.027 -9.957 -2.208 149 HZ2 LYS 17 HZ2 LYS 17 -11.022 -8.927 -1.349 150 HZ3 LYS 17 HZ3 LYS 17 -10.606 -9.350 -2.896 151 H LEU 18 HN LEU 18 -11.722 -3.330 -4.482 152 HA LEU 18 HA LEU 18 -13.438 -2.647 -2.409 153 HB2 LEU 18 HB2 LEU 18 -10.885 -1.827 -3.406 154 HB3 LEU 18 HB1 LEU 18 -11.810 -0.415 -2.954 155 HG LEU 18 HG LEU 18 -12.078 -1.310 -0.689 156 HD11 LEU 18 HD11 LEU 18 -10.271 -3.533 -1.634 157 HD12 LEU 18 HD12 LEU 18 -11.970 -3.698 -1.187 158 HD13 LEU 18 HD13 LEU 18 -10.781 -3.246 0.030 159 HD21 LEU 18 HD21 LEU 18 -9.244 -1.170 -1.676 160 HD22 LEU 18 HD22 LEU 18 -9.764 -1.017 0.005 161 HD23 LEU 18 HD23 LEU 18 -10.272 0.180 -1.187 162 H GLY 19 HN GLY 19 -14.685 -0.818 -1.962 163 HA2 GLY 19 HA2 GLY 19 -16.275 0.183 -4.054 164 HA3 GLY 19 HA1 GLY 19 -16.248 0.781 -2.397 165 H SER 20 HN SER 20 -16.361 2.174 -5.001 166 HA SER 20 HA SER 20 -14.055 3.302 -5.922 167 HB2 SER 20 HB2 SER 20 -16.714 4.704 -5.645 168 HB3 SER 20 HB1 SER 20 -15.473 5.002 -6.863 169 HG SER 20 HG SER 20 -17.488 3.337 -7.008 170 H THR 21 HN THR 21 -16.128 4.553 -3.340 171 HA THR 21 HA THR 21 -14.587 6.872 -2.817 172 HB THR 21 HB THR 21 -16.603 5.490 -1.034 173 HG1 THR 21 HG1 THR 21 -17.284 7.701 -2.586 174 HG21 THR 21 HG21 THR 21 -15.710 8.389 -1.180 175 HG22 THR 21 HG22 THR 21 -15.286 7.253 0.097 176 HG23 THR 21 HG23 THR 21 -16.964 7.754 -0.115 177 H VAL 22 HN VAL 22 -14.647 3.621 -1.481 178 HA VAL 22 HA VAL 22 -13.076 4.180 0.818 179 HB VAL 22 HB VAL 22 -13.527 1.554 -0.641 180 HG11 VAL 22 HG11 VAL 22 -12.836 0.477 1.463 181 HG12 VAL 22 HG12 VAL 22 -12.477 2.059 2.149 182 HG13 VAL 22 HG13 VAL 22 -11.539 1.458 0.782 183 HG21 VAL 22 HG21 VAL 22 -14.896 2.699 1.788 184 HG22 VAL 22 HG22 VAL 22 -15.186 1.102 1.108 185 HG23 VAL 22 HG23 VAL 22 -15.605 2.543 0.180 186 H ARG 23 HN ARG 23 -12.379 2.799 -2.357 187 HA ARG 23 HA ARG 23 -9.609 2.684 -1.847 188 HB2 ARG 23 HB2 ARG 23 -9.295 2.331 -4.266 189 HB3 ARG 23 HB1 ARG 23 -10.427 1.218 -3.530 190 HG2 ARG 23 HG2 ARG 23 -12.244 2.219 -4.520 191 HG3 ARG 23 HG1 ARG 23 -11.398 3.678 -4.990 192 HD2 ARG 23 HD2 ARG 23 -9.972 2.282 -6.434 193 HD3 ARG 23 HD1 ARG 23 -10.941 0.867 -6.013 194 HE ARG 23 HE ARG 23 -11.892 3.229 -7.477 195 HH11 ARG 23 HH11 ARG 23 -12.195 -0.227 -6.715 196 HH12 ARG 23 HH12 ARG 23 -13.285 -0.568 -7.978 197 HH21 ARG 23 HH21 ARG 23 -13.399 2.754 -9.243 198 HH22 ARG 23 HH22 ARG 23 -13.993 1.177 -9.431 199 H GLU 24 HN GLU 24 -11.641 5.182 -3.274 200 HA GLU 24 HA GLU 24 -9.414 6.666 -4.077 201 HB2 GLU 24 HB2 GLU 24 -12.256 7.424 -3.749 202 HB3 GLU 24 HB1 GLU 24 -11.039 8.658 -4.085 203 HG2 GLU 24 HG2 GLU 24 -10.338 7.243 -6.051 204 HG3 GLU 24 HG1 GLU 24 -11.788 6.281 -5.762 205 H GLN 25 HN GLN 25 -10.979 6.549 -0.903 206 HA GLN 25 HA GLN 25 -9.561 8.821 -0.080 207 HB2 GLN 25 HB2 GLN 25 -11.304 6.795 1.136 208 HB3 GLN 25 HB1 GLN 25 -10.025 7.416 2.167 209 HG2 GLN 25 HG2 GLN 25 -12.050 8.665 2.566 210 HG3 GLN 25 HG1 GLN 25 -10.850 9.699 1.824 211 HE21 GLN 25 HE21 GLN 25 -11.468 8.734 -0.917 212 HE22 GLN 25 HE22 GLN 25 -12.997 9.418 -1.317 213 H LEU 26 HN LEU 26 -8.915 5.400 -0.214 214 HA LEU 26 HA LEU 26 -6.418 5.470 1.101 215 HB2 LEU 26 HB2 LEU 26 -7.461 3.652 -1.071 216 HB3 LEU 26 HB1 LEU 26 -5.953 3.387 -0.219 217 HG LEU 26 HG LEU 26 -8.698 3.376 1.082 218 HD11 LEU 26 HD11 LEU 26 -6.875 1.122 0.372 219 HD12 LEU 26 HD12 LEU 26 -8.405 1.511 -0.414 220 HD13 LEU 26 HD13 LEU 26 -8.381 1.003 1.277 221 HD21 LEU 26 HD21 LEU 26 -5.960 2.675 2.144 222 HD22 LEU 26 HD22 LEU 26 -7.483 2.443 2.995 223 HD23 LEU 26 HD23 LEU 26 -6.926 4.075 2.619 224 H LYS 27 HN LYS 27 -7.350 5.851 -2.294 225 HA LYS 27 HA LYS 27 -4.920 6.324 -3.557 226 HB2 LYS 27 HB2 LYS 27 -7.097 6.223 -4.706 227 HB3 LYS 27 HB1 LYS 27 -7.554 7.741 -3.951 228 HG2 LYS 27 HG2 LYS 27 -5.530 8.734 -5.164 229 HG3 LYS 27 HG1 LYS 27 -5.546 7.257 -6.130 230 HD2 LYS 27 HD2 LYS 27 -6.807 8.920 -7.331 231 HD3 LYS 27 HD1 LYS 27 -7.963 7.760 -6.675 232 HE2 LYS 27 HE2 LYS 27 -8.451 9.289 -4.808 233 HE3 LYS 27 HE1 LYS 27 -7.253 10.421 -5.420 234 HZ1 LYS 27 HZ1 LYS 27 -9.849 9.688 -6.741 235 HZ2 LYS 27 HZ2 LYS 27 -8.657 10.644 -7.444 236 HZ3 LYS 27 HZ3 LYS 27 -9.411 11.145 -6.038 237 H LYS 28 HN LYS 28 -7.037 8.581 -1.870 238 HA LYS 28 HA LYS 28 -5.556 10.927 -2.131 239 HB2 LYS 28 HB2 LYS 28 -7.535 9.986 -0.069 240 HB3 LYS 28 HB1 LYS 28 -6.778 11.570 0.043 241 HG2 LYS 28 HG2 LYS 28 -7.828 12.340 -1.930 242 HG3 LYS 28 HG1 LYS 28 -8.185 10.690 -2.446 243 HD2 LYS 28 HD2 LYS 28 -10.127 12.122 -1.610 244 HD3 LYS 28 HD1 LYS 28 -10.010 10.487 -1.000 245 HE2 LYS 28 HE2 LYS 28 -10.597 11.996 0.763 246 HE3 LYS 28 HE1 LYS 28 -8.985 11.361 1.051 247 HZ1 LYS 28 HZ1 LYS 28 -8.117 13.503 0.112 248 HZ2 LYS 28 HZ2 LYS 28 -8.967 13.640 1.539 249 HZ3 LYS 28 HZ3 LYS 28 -9.713 14.088 0.103 250 H LYS 29 HN LYS 29 -5.324 8.350 0.235 251 HA LYS 29 HA LYS 29 -3.379 9.654 1.786 252 HB2 LYS 29 HB2 LYS 29 -4.557 6.963 1.773 253 HB3 LYS 29 HB1 LYS 29 -2.925 7.071 2.413 254 HG2 LYS 29 HG2 LYS 29 -4.569 7.267 4.188 255 HG3 LYS 29 HG1 LYS 29 -3.652 8.759 4.012 256 HD2 LYS 29 HD2 LYS 29 -5.539 9.672 2.677 257 HD3 LYS 29 HD1 LYS 29 -6.448 8.205 3.047 258 HE2 LYS 29 HE2 LYS 29 -7.076 9.912 4.635 259 HE3 LYS 29 HE1 LYS 29 -6.106 8.648 5.417 260 HZ1 LYS 29 HZ1 LYS 29 -5.497 11.026 5.986 261 HZ2 LYS 29 HZ2 LYS 29 -4.829 11.139 4.437 262 HZ3 LYS 29 HZ3 LYS 29 -4.248 10.017 5.516 263 H LEU 30 HN LEU 30 -3.210 7.511 -0.920 264 HA LEU 30 HA LEU 30 -0.438 7.040 -0.824 265 HB2 LEU 30 HB2 LEU 30 -2.254 7.132 -3.230 266 HB3 LEU 30 HB1 LEU 30 -0.655 6.410 -3.178 267 HG LEU 30 HG LEU 30 -3.069 5.464 -1.640 268 HD11 LEU 30 HD11 LEU 30 -3.262 4.997 -3.996 269 HD12 LEU 30 HD12 LEU 30 -2.956 3.510 -3.099 270 HD13 LEU 30 HD13 LEU 30 -1.653 4.283 -4.007 271 HD21 LEU 30 HD21 LEU 30 -0.272 4.329 -1.787 272 HD22 LEU 30 HD22 LEU 30 -1.657 3.537 -1.049 273 HD23 LEU 30 HD23 LEU 30 -1.049 5.045 -0.374 274 H VAL 31 HN VAL 31 -2.404 9.489 -2.353 275 HA VAL 31 HA VAL 31 -0.365 10.875 -3.702 276 HB VAL 31 HB VAL 31 -3.019 11.907 -2.644 277 HG11 VAL 31 HG11 VAL 31 -1.173 13.145 -4.689 278 HG12 VAL 31 HG12 VAL 31 -1.511 13.772 -3.072 279 HG13 VAL 31 HG13 VAL 31 -2.795 13.713 -4.281 280 HG21 VAL 31 HG21 VAL 31 -3.784 11.604 -4.949 281 HG22 VAL 31 HG22 VAL 31 -3.272 10.093 -4.197 282 HG23 VAL 31 HG23 VAL 31 -2.220 10.897 -5.366 283 H GLU 32 HN GLU 32 -1.686 11.371 -0.420 284 HA GLU 32 HA GLU 32 -0.013 13.605 0.077 285 HB2 GLU 32 HB2 GLU 32 -0.657 13.402 2.460 286 HB3 GLU 32 HB1 GLU 32 -2.062 13.308 1.405 287 HG2 GLU 32 HG2 GLU 32 -2.006 10.881 1.619 288 HG3 GLU 32 HG1 GLU 32 -0.659 11.009 2.726 289 H VAL 33 HN VAL 33 0.290 10.174 0.808 290 HA VAL 33 HA VAL 33 2.492 10.426 2.481 291 HB VAL 33 HB VAL 33 0.886 8.449 2.323 292 HG11 VAL 33 HG11 VAL 33 1.143 7.941 -0.027 293 HG12 VAL 33 HG12 VAL 33 1.543 6.546 0.978 294 HG13 VAL 33 HG13 VAL 33 2.830 7.499 0.237 295 HG21 VAL 33 HG21 VAL 33 2.718 8.513 3.870 296 HG22 VAL 33 HG22 VAL 33 3.824 8.018 2.590 297 HG23 VAL 33 HG23 VAL 33 2.602 6.887 3.177 298 H LEU 34 HN LEU 34 2.336 10.247 -0.959 299 HA LEU 34 HA LEU 34 4.834 9.263 -1.614 300 HB2 LEU 34 HB2 LEU 34 3.147 11.323 -2.968 301 HB3 LEU 34 HB1 LEU 34 4.653 10.781 -3.667 302 HG LEU 34 HG LEU 34 2.245 9.047 -3.103 303 HD11 LEU 34 HD11 LEU 34 3.366 10.134 -5.682 304 HD12 LEU 34 HD12 LEU 34 1.842 10.599 -4.922 305 HD13 LEU 34 HD13 LEU 34 2.052 8.966 -5.550 306 HD21 LEU 34 HD21 LEU 34 4.309 7.767 -2.925 307 HD22 LEU 34 HD22 LEU 34 4.876 8.446 -4.445 308 HD23 LEU 34 HD23 LEU 34 3.486 7.367 -4.434 309 H GLU 35 HN GLU 35 4.157 12.408 -0.226 310 HA GLU 35 HA GLU 35 6.701 13.452 -1.068 311 HB2 GLU 35 HB2 GLU 35 6.258 15.388 0.294 312 HB3 GLU 35 HB1 GLU 35 4.803 14.970 -0.592 313 HG2 GLU 35 HG2 GLU 35 3.805 14.032 1.374 314 HG3 GLU 35 HG1 GLU 35 5.309 14.229 2.272 315 H SER 36 HN SER 36 5.589 11.574 1.643 316 HA SER 36 HA SER 36 8.294 11.309 2.600 317 HB2 SER 36 HB2 SER 36 6.137 12.357 4.473 318 HB3 SER 36 HB1 SER 36 7.794 11.951 4.920 319 HG SER 36 HG SER 36 7.892 13.633 2.892 320 HA PRO 37 HA PRO 37 5.567 7.591 3.184 321 HB2 PRO 37 HB2 PRO 37 6.477 5.951 1.307 322 HB3 PRO 37 HB1 PRO 37 5.370 7.261 0.891 323 HG2 PRO 37 HG2 PRO 37 8.328 7.103 0.525 324 HG3 PRO 37 HG1 PRO 37 7.102 7.778 -0.557 325 HD2 PRO 37 HD2 PRO 37 8.689 9.278 1.182 326 HD3 PRO 37 HD1 PRO 37 7.140 9.803 0.479 327 H ARG 38 HN ARG 38 8.758 8.289 3.492 328 HA ARG 38 HA ARG 38 9.494 5.628 4.383 329 HB2 ARG 38 HB2 ARG 38 11.819 6.609 4.641 330 HB3 ARG 38 HB1 ARG 38 11.178 6.556 3.013 331 HG2 ARG 38 HG2 ARG 38 12.238 8.627 3.123 332 HG3 ARG 38 HG1 ARG 38 10.555 9.027 3.408 333 HD2 ARG 38 HD2 ARG 38 12.015 10.241 4.931 334 HD3 ARG 38 HD1 ARG 38 10.978 9.115 5.811 335 HE ARG 38 HE ARG 38 13.544 8.021 5.151 336 HH11 ARG 38 HH11 ARG 38 11.777 9.957 7.525 337 HH12 ARG 38 HH12 ARG 38 12.858 9.651 8.801 338 HH21 ARG 38 HH21 ARG 38 15.026 7.584 6.921 339 HH22 ARG 38 HH22 ARG 38 14.764 8.284 8.458 340 H ILE 39 HN ILE 39 7.567 6.773 5.861 341 HA ILE 39 HA ILE 39 8.710 7.790 8.320 342 HB ILE 39 HB ILE 39 5.837 7.033 7.640 343 HG12 ILE 39 HG12 ILE 39 7.157 9.749 7.871 344 HG13 ILE 39 HG11 ILE 39 6.704 8.957 6.370 345 HG21 ILE 39 HG21 ILE 39 6.890 8.494 10.068 346 HG22 ILE 39 HG22 ILE 39 6.247 6.851 10.049 347 HG23 ILE 39 HG23 ILE 39 5.189 8.214 9.690 348 HD11 ILE 39 HD11 ILE 39 5.113 10.674 6.969 349 HD12 ILE 39 HD12 ILE 39 4.819 9.895 8.528 350 HD13 ILE 39 HD13 ILE 39 4.345 9.086 7.032 351 H GLU 40 HN GLU 40 9.844 6.329 9.356 352 HA GLU 40 HA GLU 40 9.646 3.583 9.104 353 HB2 GLU 40 HB2 GLU 40 11.233 3.411 10.931 354 HB3 GLU 40 HB1 GLU 40 11.688 4.663 9.790 355 HG2 GLU 40 HG2 GLU 40 10.858 6.368 11.286 356 HG3 GLU 40 HG1 GLU 40 10.334 5.134 12.432 357 H ALA 41 HN ALA 41 7.927 5.654 11.250 358 HA ALA 41 HA ALA 41 7.169 3.773 13.212 359 HB1 ALA 41 HB1 ALA 41 5.385 5.336 13.772 360 HB2 ALA 41 HB2 ALA 41 5.646 6.198 12.257 361 HB3 ALA 41 HB3 ALA 41 6.897 6.200 13.497 362 H ASN 42 HN ASN 42 6.184 4.178 9.945 363 HA ASN 42 HA ASN 42 3.746 2.609 10.384 364 HB2 ASN 42 HB2 ASN 42 4.664 4.200 7.983 365 HB3 ASN 42 HB1 ASN 42 3.235 3.174 7.985 366 HD21 ASN 42 HD21 ASN 42 3.505 6.041 7.569 367 HD22 ASN 42 HD22 ASN 42 2.507 6.794 8.761 368 H LYS 43 HN LYS 43 6.842 1.929 9.956 369 HA LYS 43 HA LYS 43 6.713 0.100 7.764 370 HB2 LYS 43 HB2 LYS 43 8.788 0.464 9.918 371 HB3 LYS 43 HB1 LYS 43 8.895 -0.789 8.692 372 HG2 LYS 43 HG2 LYS 43 8.875 0.894 6.956 373 HG3 LYS 43 HG1 LYS 43 8.730 2.158 8.158 374 HD2 LYS 43 HD2 LYS 43 11.007 2.116 7.462 375 HD3 LYS 43 HD1 LYS 43 10.973 1.390 9.060 376 HE2 LYS 43 HE2 LYS 43 10.940 -0.244 6.518 377 HE3 LYS 43 HE1 LYS 43 12.437 0.267 7.269 378 HZ1 LYS 43 HZ1 LYS 43 11.901 -1.955 7.927 379 HZ2 LYS 43 HZ2 LYS 43 10.382 -1.542 8.458 380 HZ3 LYS 43 HZ3 LYS 43 11.742 -0.976 9.281 381 H LEU 44 HN LEU 44 6.457 -1.968 7.706 382 HA LEU 44 HA LEU 44 5.067 -3.178 9.899 383 HB2 LEU 44 HB2 LEU 44 5.884 -4.275 7.235 384 HB3 LEU 44 HB1 LEU 44 4.909 -5.146 8.402 385 HG LEU 44 HG LEU 44 4.174 -2.679 6.852 386 HD11 LEU 44 HD11 LEU 44 2.418 -4.129 5.979 387 HD12 LEU 44 HD12 LEU 44 3.079 -5.479 6.900 388 HD13 LEU 44 HD13 LEU 44 4.030 -4.741 5.606 389 HD21 LEU 44 HD21 LEU 44 2.701 -4.090 9.055 390 HD22 LEU 44 HD22 LEU 44 1.987 -2.921 7.950 391 HD23 LEU 44 HD23 LEU 44 3.275 -2.420 9.047 392 H ARG 45 HN ARG 45 5.734 -4.677 11.173 393 HA ARG 45 HA ARG 45 8.492 -5.045 11.645 394 HB2 ARG 45 HB2 ARG 45 6.960 -4.922 13.458 395 HB3 ARG 45 HB1 ARG 45 5.979 -6.212 12.792 396 HG2 ARG 45 HG2 ARG 45 7.790 -7.791 13.218 397 HG3 ARG 45 HG1 ARG 45 8.745 -6.477 13.912 398 HD2 ARG 45 HD2 ARG 45 7.140 -6.137 15.644 399 HD3 ARG 45 HD1 ARG 45 6.023 -7.278 14.896 400 HE ARG 45 HE ARG 45 8.318 -8.667 15.306 401 HH11 ARG 45 HH11 ARG 45 6.085 -6.882 17.378 402 HH12 ARG 45 HH12 ARG 45 6.284 -7.879 18.733 403 HH21 ARG 45 HH21 ARG 45 8.593 -10.069 17.091 404 HH22 ARG 45 HH22 ARG 45 7.766 -9.831 18.552 405 H GLY 46 HN GLY 46 9.631 -6.245 10.209 406 HA2 GLY 46 HA2 GLY 46 10.462 -8.341 9.587 407 HA3 GLY 46 HA1 GLY 46 8.903 -9.039 10.012 408 H MET 47 HN MET 47 9.284 -6.287 7.940 409 HA MET 47 HA MET 47 8.646 -7.968 5.634 410 HB2 MET 47 HB2 MET 47 7.175 -5.487 6.472 411 HB3 MET 47 HB1 MET 47 7.003 -6.225 4.891 412 HG2 MET 47 HG2 MET 47 6.321 -7.579 7.501 413 HG3 MET 47 HG1 MET 47 5.153 -6.797 6.442 414 HE1 MET 47 HE1 MET 47 6.224 -7.620 3.535 415 HE2 MET 47 HE2 MET 47 4.537 -7.646 4.041 416 HE3 MET 47 HE3 MET 47 5.243 -9.062 3.266 417 HA PRO 48 HA PRO 48 11.933 -5.501 4.022 418 HB2 PRO 48 HB2 PRO 48 11.583 -6.055 1.362 419 HB3 PRO 48 HB1 PRO 48 12.354 -7.165 2.495 420 HG2 PRO 48 HG2 PRO 48 9.552 -7.150 1.478 421 HG3 PRO 48 HG1 PRO 48 10.648 -8.521 1.736 422 HD2 PRO 48 HD2 PRO 48 8.677 -7.899 3.467 423 HD3 PRO 48 HD1 PRO 48 10.220 -8.594 4.005 424 H ASP 49 HN ASP 49 11.296 -3.444 4.471 425 HA ASP 49 HA ASP 49 10.842 -1.250 4.038 426 HB2 ASP 49 HB2 ASP 49 10.698 -2.108 1.134 427 HB3 ASP 49 HB1 ASP 49 10.811 -0.457 1.707 428 H CYS 50 HN CYS 50 8.585 -2.998 4.634 429 HA CYS 50 HA CYS 50 6.542 -1.891 2.851 430 HB2 CYS 50 HB2 CYS 50 6.298 -4.138 4.845 431 HB3 CYS 50 HB1 CYS 50 5.064 -3.623 3.700 432 HG CYS 50 HG CYS 50 7.974 -4.416 2.255 433 H TYR 51 HN TYR 51 4.872 -0.729 3.572 434 HA TYR 51 HA TYR 51 4.849 0.137 6.376 435 HB2 TYR 51 HB2 TYR 51 4.536 1.927 3.937 436 HB3 TYR 51 HB1 TYR 51 4.385 2.423 5.612 437 HD1 TYR 51 HD1 TYR 51 6.922 0.851 3.342 438 HD2 TYR 51 HD2 TYR 51 6.179 3.539 6.539 439 HE1 TYR 51 HE1 TYR 51 9.278 1.524 3.310 440 HE2 TYR 51 HE2 TYR 51 8.542 4.214 6.516 441 HH TYR 51 HH TYR 51 10.644 3.328 3.968 442 H LYS 52 HN LYS 52 2.721 1.052 6.913 443 HA LYS 52 HA LYS 52 0.578 0.140 5.124 444 HB2 LYS 52 HB2 LYS 52 -0.714 -0.566 7.126 445 HB3 LYS 52 HB1 LYS 52 0.733 -1.525 6.853 446 HG2 LYS 52 HG2 LYS 52 1.906 -0.281 8.592 447 HG3 LYS 52 HG1 LYS 52 0.482 0.731 8.823 448 HD2 LYS 52 HD2 LYS 52 -0.775 -1.073 9.701 449 HD3 LYS 52 HD1 LYS 52 0.431 -2.259 9.190 450 HE2 LYS 52 HE2 LYS 52 2.039 -1.328 10.746 451 HE3 LYS 52 HE1 LYS 52 0.889 -0.086 11.224 452 HZ1 LYS 52 HZ1 LYS 52 1.028 -1.926 12.793 453 HZ2 LYS 52 HZ2 LYS 52 0.474 -3.019 11.642 454 HZ3 LYS 52 HZ3 LYS 52 -0.510 -1.738 12.165 455 H ILE 53 HN ILE 53 -1.227 1.354 5.079 456 HA ILE 53 HA ILE 53 -1.386 3.690 6.848 457 HB ILE 53 HB ILE 53 -2.258 3.538 3.930 458 HG12 ILE 53 HG12 ILE 53 -0.154 5.267 5.257 459 HG13 ILE 53 HG11 ILE 53 0.159 3.910 4.182 460 HG21 ILE 53 HG21 ILE 53 -2.963 5.903 4.177 461 HG22 ILE 53 HG22 ILE 53 -2.635 5.809 5.901 462 HG23 ILE 53 HG23 ILE 53 -3.901 4.821 5.195 463 HD11 ILE 53 HD11 ILE 53 0.451 6.005 3.018 464 HD12 ILE 53 HD12 ILE 53 -1.172 6.512 3.466 465 HD13 ILE 53 HD13 ILE 53 -0.953 5.156 2.357 466 H LYS 54 HN LYS 54 -3.378 3.992 7.757 467 HA LYS 54 HA LYS 54 -5.363 2.028 6.992 468 HB2 LYS 54 HB2 LYS 54 -6.310 2.013 9.266 469 HB3 LYS 54 HB1 LYS 54 -4.637 1.500 9.272 470 HG2 LYS 54 HG2 LYS 54 -5.449 4.308 9.945 471 HG3 LYS 54 HG1 LYS 54 -5.432 3.021 11.146 472 HD2 LYS 54 HD2 LYS 54 -3.096 2.715 10.912 473 HD3 LYS 54 HD1 LYS 54 -3.013 3.741 9.484 474 HE2 LYS 54 HE2 LYS 54 -3.710 5.621 10.777 475 HE3 LYS 54 HE1 LYS 54 -3.818 4.624 12.231 476 HZ1 LYS 54 HZ1 LYS 54 -1.336 5.155 10.675 477 HZ2 LYS 54 HZ2 LYS 54 -1.451 4.238 12.109 478 HZ3 LYS 54 HZ3 LYS 54 -1.768 5.884 12.142 479 H LEU 55 HN LEU 55 -7.267 2.705 6.424 480 HA LEU 55 HA LEU 55 -7.560 5.502 6.013 481 HB2 LEU 55 HB2 LEU 55 -8.257 3.892 4.296 482 HB3 LEU 55 HB1 LEU 55 -9.488 3.271 5.374 483 HG LEU 55 HG LEU 55 -10.792 5.353 5.154 484 HD11 LEU 55 HD11 LEU 55 -8.810 6.823 5.206 485 HD12 LEU 55 HD12 LEU 55 -10.060 7.238 4.081 486 HD13 LEU 55 HD13 LEU 55 -8.565 6.458 3.493 487 HD21 LEU 55 HD21 LEU 55 -11.243 5.313 2.814 488 HD22 LEU 55 HD22 LEU 55 -10.942 3.660 3.359 489 HD23 LEU 55 HD23 LEU 55 -9.692 4.546 2.483 490 H ARG 56 HN ARG 56 -7.809 6.510 7.759 491 HA ARG 56 HA ARG 56 -9.388 5.855 10.007 492 HB2 ARG 56 HB2 ARG 56 -8.290 8.518 9.086 493 HB3 ARG 56 HB1 ARG 56 -8.874 8.170 10.707 494 HG2 ARG 56 HG2 ARG 56 -7.047 6.688 11.126 495 HG3 ARG 56 HG1 ARG 56 -6.566 6.714 9.432 496 HD2 ARG 56 HD2 ARG 56 -5.104 8.120 10.850 497 HD3 ARG 56 HD1 ARG 56 -5.931 9.045 9.599 498 HE ARG 56 HE ARG 56 -7.216 8.949 12.171 499 HH11 ARG 56 HH11 ARG 56 -4.863 10.733 10.197 500 HH12 ARG 56 HH12 ARG 56 -5.199 12.240 10.919 501 HH21 ARG 56 HH21 ARG 56 -7.648 11.082 13.172 502 HH22 ARG 56 HH22 ARG 56 -6.789 12.429 12.594 503 H SER 57 HN SER 57 -11.372 5.341 8.972 504 HA SER 57 HA SER 57 -13.460 7.101 9.090 505 HB2 SER 57 HB2 SER 57 -12.409 8.231 7.083 506 HB3 SER 57 HB1 SER 57 -12.553 6.716 6.197 507 HG SER 57 HG SER 57 -14.709 8.147 7.338 508 H SER 58 HN SER 58 -12.143 4.510 7.025 509 HA SER 58 HA SER 58 -14.652 3.042 7.416 510 HB2 SER 58 HB2 SER 58 -12.651 2.759 5.173 511 HB3 SER 58 HB1 SER 58 -14.214 1.943 5.294 512 HG SER 58 HG SER 58 -14.993 4.258 5.522 513 H GLY 59 HN GLY 59 -11.210 2.866 7.980 514 HA2 GLY 59 HA2 GLY 59 -10.222 1.353 9.465 515 HA3 GLY 59 HA1 GLY 59 -11.656 0.342 9.358 516 H TYR 60 HN TYR 60 -10.345 1.401 6.409 517 HA TYR 60 HA TYR 60 -9.476 -1.298 5.818 518 HB2 TYR 60 HB2 TYR 60 -10.031 1.115 4.118 519 HB3 TYR 60 HB1 TYR 60 -9.069 -0.216 3.477 520 HD1 TYR 60 HD1 TYR 60 -12.344 0.490 5.130 521 HD2 TYR 60 HD2 TYR 60 -10.132 -2.013 2.505 522 HE1 TYR 60 HE1 TYR 60 -14.401 -0.740 4.569 523 HE2 TYR 60 HE2 TYR 60 -12.178 -3.239 1.937 524 HH TYR 60 HH TYR 60 -15.214 -2.105 2.688 525 H ARG 61 HN ARG 61 -7.416 -1.773 4.964 526 HA ARG 61 HA ARG 61 -5.373 0.165 5.717 527 HB2 ARG 61 HB2 ARG 61 -5.460 -2.785 6.313 528 HB3 ARG 61 HB1 ARG 61 -3.936 -1.935 6.184 529 HG2 ARG 61 HG2 ARG 61 -4.486 -2.130 8.493 530 HG3 ARG 61 HG1 ARG 61 -4.688 -0.446 8.038 531 HD2 ARG 61 HD2 ARG 61 -7.101 -0.738 7.954 532 HD3 ARG 61 HD1 ARG 61 -6.926 -2.461 8.304 533 HE ARG 61 HE ARG 61 -5.725 -0.673 10.209 534 HH11 ARG 61 HH11 ARG 61 -8.795 -2.232 9.428 535 HH12 ARG 61 HH12 ARG 61 -9.211 -2.548 11.043 536 HH21 ARG 61 HH21 ARG 61 -6.326 -0.998 12.400 537 HH22 ARG 61 HH22 ARG 61 -7.788 -1.803 12.787 538 H LEU 62 HN LEU 62 -3.586 0.173 4.470 539 HA LEU 62 HA LEU 62 -3.629 -1.480 2.075 540 HB2 LEU 62 HB2 LEU 62 -4.599 0.773 1.621 541 HB3 LEU 62 HB1 LEU 62 -3.130 1.509 2.203 542 HG LEU 62 HG LEU 62 -3.115 -0.307 -0.209 543 HD11 LEU 62 HD11 LEU 62 -3.290 1.717 -1.569 544 HD12 LEU 62 HD12 LEU 62 -3.585 2.673 -0.112 545 HD13 LEU 62 HD13 LEU 62 -4.752 1.448 -0.621 546 HD21 LEU 62 HD21 LEU 62 -0.962 0.236 0.786 547 HD22 LEU 62 HD22 LEU 62 -1.373 1.950 0.728 548 HD23 LEU 62 HD23 LEU 62 -1.153 1.048 -0.775 549 H VAL 63 HN VAL 63 -1.701 -2.377 1.674 550 HA VAL 63 HA VAL 63 0.573 -1.508 3.314 551 HB VAL 63 HB VAL 63 -0.177 -4.320 2.438 552 HG11 VAL 63 HG11 VAL 63 2.247 -4.061 2.358 553 HG12 VAL 63 HG12 VAL 63 1.783 -5.054 3.746 554 HG13 VAL 63 HG13 VAL 63 2.238 -3.369 3.980 555 HG21 VAL 63 HG21 VAL 63 -1.479 -3.509 4.322 556 HG22 VAL 63 HG22 VAL 63 0.001 -3.069 5.173 557 HG23 VAL 63 HG23 VAL 63 -0.351 -4.763 4.839 558 H TYR 64 HN TYR 64 2.324 -0.966 2.268 559 HA TYR 64 HA TYR 64 2.722 -1.868 -0.466 560 HB2 TYR 64 HB2 TYR 64 3.301 0.456 -1.197 561 HB3 TYR 64 HB1 TYR 64 1.620 0.246 -0.761 562 HD1 TYR 64 HD1 TYR 64 4.815 1.351 0.880 563 HD2 TYR 64 HD2 TYR 64 0.639 1.880 0.433 564 HE1 TYR 64 HE1 TYR 64 4.914 3.324 2.326 565 HE2 TYR 64 HE2 TYR 64 0.716 3.831 1.870 566 HH TYR 64 HH TYR 64 2.155 4.734 3.645 567 H GLN 65 HN GLN 65 4.897 -1.578 -1.204 568 HA GLN 65 HA GLN 65 6.806 -1.344 1.003 569 HB2 GLN 65 HB2 GLN 65 8.392 -2.625 -0.439 570 HB3 GLN 65 HB1 GLN 65 6.975 -3.550 0.020 571 HG2 GLN 65 HG2 GLN 65 6.003 -3.179 -2.189 572 HG3 GLN 65 HG1 GLN 65 7.390 -2.189 -2.629 573 HE21 GLN 65 HE21 GLN 65 7.782 -5.098 -0.743 574 HE22 GLN 65 HE22 GLN 65 8.532 -6.013 -2.008 575 H VAL 66 HN VAL 66 8.228 0.229 0.951 576 HA VAL 66 HA VAL 66 8.153 1.975 -1.401 577 HB VAL 66 HB VAL 66 9.243 2.523 1.382 578 HG11 VAL 66 HG11 VAL 66 8.934 4.386 -0.972 579 HG12 VAL 66 HG12 VAL 66 10.452 3.789 -0.310 580 HG13 VAL 66 HG13 VAL 66 9.432 4.858 0.652 581 HG21 VAL 66 HG21 VAL 66 7.360 4.048 1.624 582 HG22 VAL 66 HG22 VAL 66 6.827 2.386 1.367 583 HG23 VAL 66 HG23 VAL 66 6.747 3.549 0.048 584 H ILE 67 HN ILE 67 9.644 1.501 -2.789 585 HA ILE 67 HA ILE 67 12.135 0.312 -1.848 586 HB ILE 67 HB ILE 67 11.193 0.615 -4.718 587 HG12 ILE 67 HG12 ILE 67 10.876 -1.827 -2.944 588 HG13 ILE 67 HG11 ILE 67 9.570 -0.711 -3.322 589 HG21 ILE 67 HG21 ILE 67 13.595 0.199 -4.395 590 HG22 ILE 67 HG22 ILE 67 12.812 -1.208 -5.120 591 HG23 ILE 67 HG23 ILE 67 13.223 -1.214 -3.408 592 HD11 ILE 67 HD11 ILE 67 9.474 -2.715 -4.700 593 HD12 ILE 67 HD12 ILE 67 11.093 -2.373 -5.316 594 HD13 ILE 67 HD13 ILE 67 9.762 -1.279 -5.682 595 H ASP 68 HN ASP 68 13.401 1.961 -1.254 596 HA ASP 68 HA ASP 68 13.336 4.549 -2.329 597 HB2 ASP 68 HB2 ASP 68 15.351 3.125 -0.615 598 HB3 ASP 68 HB1 ASP 68 15.580 4.772 -1.166 599 H GLU 69 HN GLU 69 15.258 1.734 -3.076 600 HA GLU 69 HA GLU 69 17.199 3.009 -4.674 601 HB2 GLU 69 HB2 GLU 69 16.172 0.182 -4.919 602 HB3 GLU 69 HB1 GLU 69 17.639 0.804 -5.657 603 HG2 GLU 69 HG2 GLU 69 18.469 1.303 -3.365 604 HG3 GLU 69 HG1 GLU 69 17.071 0.452 -2.729 605 H LYS 70 HN LYS 70 14.017 1.812 -5.428 606 HA LYS 70 HA LYS 70 14.400 2.475 -8.259 607 HB2 LYS 70 HB2 LYS 70 12.164 1.021 -6.849 608 HB3 LYS 70 HB1 LYS 70 12.239 1.284 -8.589 609 HG2 LYS 70 HG2 LYS 70 14.244 -0.088 -8.711 610 HG3 LYS 70 HG1 LYS 70 14.221 -0.295 -6.958 611 HD2 LYS 70 HD2 LYS 70 12.018 -1.402 -7.148 612 HD3 LYS 70 HD1 LYS 70 12.104 -1.227 -8.898 613 HE2 LYS 70 HE2 LYS 70 14.151 -2.602 -8.925 614 HE3 LYS 70 HE1 LYS 70 14.039 -2.778 -7.181 615 HZ1 LYS 70 HZ1 LYS 70 13.148 -4.687 -8.448 616 HZ2 LYS 70 HZ2 LYS 70 11.908 -3.722 -9.040 617 HZ3 LYS 70 HZ3 LYS 70 12.048 -4.019 -7.385 618 H VAL 71 HN VAL 71 13.321 3.830 -5.460 619 HA VAL 71 HA VAL 71 12.239 5.701 -4.841 620 HB VAL 71 HB VAL 71 12.329 6.550 -7.774 621 HG11 VAL 71 HG11 VAL 71 12.510 8.836 -6.887 622 HG12 VAL 71 HG12 VAL 71 12.365 8.209 -5.245 623 HG13 VAL 71 HG13 VAL 71 11.018 8.051 -6.373 624 HG21 VAL 71 HG21 VAL 71 14.524 7.538 -7.322 625 HG22 VAL 71 HG22 VAL 71 14.544 5.787 -7.102 626 HG23 VAL 71 HG23 VAL 71 14.495 6.852 -5.697 627 H VAL 72 HN VAL 72 10.690 3.419 -5.433 628 HA VAL 72 HA VAL 72 8.210 4.691 -6.288 629 HB VAL 72 HB VAL 72 9.036 3.349 -8.198 630 HG11 VAL 72 HG11 VAL 72 10.300 1.677 -7.052 631 HG12 VAL 72 HG12 VAL 72 9.106 0.918 -8.107 632 HG13 VAL 72 HG13 VAL 72 8.832 0.983 -6.363 633 HG21 VAL 72 HG21 VAL 72 6.620 3.591 -7.952 634 HG22 VAL 72 HG22 VAL 72 6.568 2.171 -6.913 635 HG23 VAL 72 HG23 VAL 72 7.011 2.002 -8.611 636 H VAL 73 HN VAL 73 6.492 4.243 -5.172 637 HA VAL 73 HA VAL 73 6.654 2.464 -2.887 638 HB VAL 73 HB VAL 73 4.563 4.498 -3.728 639 HG11 VAL 73 HG11 VAL 73 4.896 3.018 -1.126 640 HG12 VAL 73 HG12 VAL 73 3.629 2.762 -2.326 641 HG13 VAL 73 HG13 VAL 73 3.710 4.283 -1.441 642 HG21 VAL 73 HG21 VAL 73 5.444 5.910 -1.906 643 HG22 VAL 73 HG22 VAL 73 6.611 5.636 -3.196 644 HG23 VAL 73 HG23 VAL 73 6.760 4.755 -1.679 645 H PHE 74 HN PHE 74 5.928 0.511 -3.262 646 HA PHE 74 HA PHE 74 4.126 0.062 -5.530 647 HB2 PHE 74 HB2 PHE 74 6.410 -0.855 -5.732 648 HB3 PHE 74 HB1 PHE 74 6.165 -1.761 -4.254 649 HD1 PHE 74 HD1 PHE 74 4.800 -1.330 -7.671 650 HD2 PHE 74 HD2 PHE 74 5.397 -3.935 -4.367 651 HE1 PHE 74 HE1 PHE 74 4.004 -3.216 -9.021 652 HE2 PHE 74 HE2 PHE 74 4.595 -5.823 -5.705 653 HZ PHE 74 HZ PHE 74 3.901 -5.469 -8.040 654 H VAL 75 HN VAL 75 2.144 -0.246 -4.838 655 HA VAL 75 HA VAL 75 1.509 -1.132 -2.173 656 HB VAL 75 HB VAL 75 -0.334 -0.775 -4.556 657 HG11 VAL 75 HG11 VAL 75 -1.337 -2.173 -2.848 658 HG12 VAL 75 HG12 VAL 75 -2.136 -0.601 -2.875 659 HG13 VAL 75 HG13 VAL 75 -0.965 -0.979 -1.613 660 HG21 VAL 75 HG21 VAL 75 0.361 1.162 -2.344 661 HG22 VAL 75 HG22 VAL 75 -0.896 1.406 -3.557 662 HG23 VAL 75 HG23 VAL 75 0.793 1.306 -4.048 663 H ILE 76 HN ILE 76 1.340 -3.146 -1.533 664 HA ILE 76 HA ILE 76 1.514 -5.232 -3.583 665 HB ILE 76 HB ILE 76 1.871 -5.543 -0.594 666 HG12 ILE 76 HG12 ILE 76 4.032 -5.168 -2.685 667 HG13 ILE 76 HG11 ILE 76 3.526 -3.931 -1.536 668 HG21 ILE 76 HG21 ILE 76 2.686 -7.255 -2.943 669 HG22 ILE 76 HG22 ILE 76 1.395 -7.608 -1.800 670 HG23 ILE 76 HG23 ILE 76 3.079 -7.591 -1.260 671 HD11 ILE 76 HD11 ILE 76 4.741 -6.597 -0.830 672 HD12 ILE 76 HD12 ILE 76 4.264 -5.339 0.312 673 HD13 ILE 76 HD13 ILE 76 5.576 -5.045 -0.827 674 H SER 77 HN SER 77 -0.367 -4.247 -0.735 675 HA SER 77 HA SER 77 -2.541 -5.942 -1.633 676 HB2 SER 77 HB2 SER 77 -1.342 -6.118 1.132 677 HB3 SER 77 HB1 SER 77 -2.780 -6.977 0.566 678 HG SER 77 HG SER 77 -0.841 -7.400 -1.166 679 H VAL 78 HN VAL 78 -4.566 -5.304 -0.799 680 HA VAL 78 HA VAL 78 -4.692 -3.046 0.956 681 HB VAL 78 HB VAL 78 -4.397 -2.072 -1.317 682 HG11 VAL 78 HG11 VAL 78 -6.168 -2.239 -2.993 683 HG12 VAL 78 HG12 VAL 78 -6.966 -3.462 -2.007 684 HG13 VAL 78 HG13 VAL 78 -5.369 -3.781 -2.685 685 HG21 VAL 78 HG21 VAL 78 -5.626 -0.822 0.325 686 HG22 VAL 78 HG22 VAL 78 -7.129 -1.624 -0.143 687 HG23 VAL 78 HG23 VAL 78 -6.302 -0.550 -1.277 688 H GLY 79 HN GLY 79 -6.718 -2.949 2.008 689 HA2 GLY 79 HA2 GLY 79 -9.152 -3.807 1.427 690 HA3 GLY 79 HA1 GLY 79 -8.353 -5.342 1.750 691 H LYS 80 HN LYS 80 -9.455 -5.794 3.671 692 HA LYS 80 HA LYS 80 -9.068 -3.831 5.799 693 HB2 LYS 80 HB2 LYS 80 -10.703 -6.364 5.832 694 HB3 LYS 80 HB1 LYS 80 -10.585 -5.218 7.155 695 HG2 LYS 80 HG2 LYS 80 -11.580 -3.500 5.610 696 HG3 LYS 80 HG1 LYS 80 -11.888 -4.815 4.474 697 HD2 LYS 80 HD2 LYS 80 -12.973 -4.550 7.281 698 HD3 LYS 80 HD1 LYS 80 -13.878 -4.398 5.778 699 HE2 LYS 80 HE2 LYS 80 -12.506 -6.907 6.757 700 HE3 LYS 80 HE1 LYS 80 -14.225 -6.566 6.870 701 HZ1 LYS 80 HZ1 LYS 80 -12.725 -6.769 4.309 702 HZ2 LYS 80 HZ2 LYS 80 -14.390 -6.582 4.488 703 HZ3 LYS 80 HZ3 LYS 80 -13.636 -7.997 5.003 704 H ALA 81 HN ALA 81 -8.419 -4.708 7.919 705 HA ALA 81 HA ALA 81 -6.606 -6.964 7.658 706 HB1 ALA 81 HB1 ALA 81 -5.951 -4.344 9.003 707 HB2 ALA 81 HB2 ALA 81 -5.302 -4.894 7.458 708 HB3 ALA 81 HB3 ALA 81 -4.918 -5.773 8.934 709 H GLU 82 HN GLU 82 -7.530 -8.391 8.940 710 HA GLU 82 HA GLU 82 -8.698 -7.497 11.446 711 HB2 GLU 82 HB2 GLU 82 -9.671 -9.279 9.723 712 HB3 GLU 82 HB1 GLU 82 -8.587 -10.370 10.564 713 HG2 GLU 82 HG2 GLU 82 -10.837 -8.798 11.808 714 HG3 GLU 82 HG1 GLU 82 -10.862 -10.513 11.424 715 H ALA 83 HN ALA 83 -6.679 -10.240 10.492 716 HA ALA 83 HA ALA 83 -4.822 -9.511 12.640 717 HB1 ALA 83 HB1 ALA 83 -4.518 -11.853 13.196 718 HB2 ALA 83 HB2 ALA 83 -5.656 -12.318 11.936 719 HB3 ALA 83 HB3 ALA 83 -6.217 -11.402 13.336 720 H SER 84 HN SER 84 -5.016 -11.722 9.808 721 HA SER 84 HA SER 84 -2.243 -10.909 9.248 722 HB2 SER 84 HB2 SER 84 -2.443 -13.180 10.274 723 HB3 SER 84 HB1 SER 84 -3.415 -13.677 8.897 724 HG SER 84 HG SER 84 -1.330 -14.305 8.596 725 H GLU 85 HN GLU 85 -5.127 -10.326 8.097 726 HA GLU 85 HA GLU 85 -5.460 -11.423 5.568 727 HB2 GLU 85 HB2 GLU 85 -6.256 -8.685 6.516 728 HB3 GLU 85 HB1 GLU 85 -6.899 -9.521 5.115 729 HG2 GLU 85 HG2 GLU 85 -7.189 -10.356 7.981 730 HG3 GLU 85 HG1 GLU 85 -8.437 -9.642 6.966 731 H VAL 86 HN VAL 86 -3.988 -8.245 6.350 732 HA VAL 86 HA VAL 86 -3.226 -7.959 3.567 733 HB VAL 86 HB VAL 86 -2.412 -5.701 4.204 734 HG11 VAL 86 HG11 VAL 86 -4.617 -4.717 4.650 735 HG12 VAL 86 HG12 VAL 86 -5.237 -6.317 5.057 736 HG13 VAL 86 HG13 VAL 86 -4.692 -5.974 3.416 737 HG21 VAL 86 HG21 VAL 86 -1.786 -6.146 6.522 738 HG22 VAL 86 HG22 VAL 86 -3.477 -6.412 6.941 739 HG23 VAL 86 HG23 VAL 86 -2.935 -4.809 6.438 740 H TYR 87 HN TYR 87 -1.914 -9.394 6.168 741 HA TYR 87 HA TYR 87 0.809 -8.557 5.621 742 HB2 TYR 87 HB2 TYR 87 -0.284 -10.462 7.700 743 HB3 TYR 87 HB1 TYR 87 1.415 -10.042 7.530 744 HD1 TYR 87 HD2 TYR 87 2.171 -7.729 8.038 745 HD2 TYR 87 HD1 TYR 87 -1.828 -8.969 8.773 746 HE1 TYR 87 HE2 TYR 87 1.846 -5.791 9.504 747 HE2 TYR 87 HE1 TYR 87 -2.167 -7.035 10.242 748 HH TYR 87 HH TYR 87 -0.668 -5.513 11.667 749 H SER 88 HN SER 88 -1.203 -11.462 5.489 750 HA SER 88 HA SER 88 0.809 -13.113 4.452 751 HB2 SER 88 HB2 SER 88 -2.184 -13.340 4.299 752 HB3 SER 88 HB1 SER 88 -1.056 -14.614 3.821 753 HG SER 88 HG SER 88 -1.697 -13.642 6.359 754 H GLU 89 HN GLU 89 -1.747 -11.243 2.778 755 HA GLU 89 HA GLU 89 -1.109 -12.175 0.196 756 HB2 GLU 89 HB2 GLU 89 -2.242 -9.479 0.986 757 HB3 GLU 89 HB1 GLU 89 -2.269 -10.161 -0.628 758 HG2 GLU 89 HG2 GLU 89 -3.709 -11.243 1.786 759 HG3 GLU 89 HG1 GLU 89 -4.433 -10.342 0.457 760 H ALA 90 HN ALA 90 0.307 -9.709 2.179 761 HA ALA 90 HA ALA 90 1.856 -8.564 0.100 762 HB1 ALA 90 HB1 ALA 90 2.198 -8.320 3.085 763 HB2 ALA 90 HB2 ALA 90 1.197 -7.275 2.079 764 HB3 ALA 90 HB3 ALA 90 2.948 -7.292 1.864 765 H VAL 91 HN VAL 91 2.677 -10.674 2.878 766 HA VAL 91 HA VAL 91 5.395 -10.860 2.153 767 HB VAL 91 HB VAL 91 4.521 -11.324 4.455 768 HG11 VAL 91 HG11 VAL 91 3.703 -13.986 3.337 769 HG12 VAL 91 HG12 VAL 91 2.641 -12.701 3.900 770 HG13 VAL 91 HG13 VAL 91 3.698 -13.533 5.046 771 HG21 VAL 91 HG21 VAL 91 6.127 -13.119 4.991 772 HG22 VAL 91 HG22 VAL 91 6.807 -11.913 3.899 773 HG23 VAL 91 HG23 VAL 91 6.276 -13.473 3.271 774 H LYS 92 HN LYS 92 2.643 -12.706 1.090 775 HA LYS 92 HA LYS 92 4.172 -14.875 0.041 776 HB2 LYS 92 HB2 LYS 92 1.395 -13.982 -0.735 777 HB3 LYS 92 HB1 LYS 92 2.123 -15.524 -1.177 778 HG2 LYS 92 HG2 LYS 92 1.417 -14.580 1.597 779 HG3 LYS 92 HG1 LYS 92 0.539 -15.761 0.632 780 HD2 LYS 92 HD2 LYS 92 2.368 -17.305 0.773 781 HD3 LYS 92 HD1 LYS 92 3.379 -16.096 1.574 782 HE2 LYS 92 HE2 LYS 92 2.434 -17.706 3.178 783 HE3 LYS 92 HE1 LYS 92 1.889 -16.060 3.484 784 HZ1 LYS 92 HZ1 LYS 92 0.047 -17.605 3.669 785 HZ2 LYS 92 HZ2 LYS 92 0.334 -18.205 2.130 786 HZ3 LYS 92 HZ3 LYS 92 -0.216 -16.642 2.315 787 H ARG 93 HN ARG 93 3.751 -11.667 -1.030 788 HA ARG 93 HA ARG 93 4.355 -12.396 -3.760 789 HB2 ARG 93 HB2 ARG 93 4.158 -9.660 -2.506 790 HB3 ARG 93 HB1 ARG 93 4.561 -9.944 -4.189 791 HG2 ARG 93 HG2 ARG 93 1.958 -10.448 -2.781 792 HG3 ARG 93 HG1 ARG 93 2.283 -9.370 -4.135 793 HD2 ARG 93 HD2 ARG 93 2.032 -12.361 -4.108 794 HD3 ARG 93 HD1 ARG 93 1.197 -11.191 -5.118 795 HE ARG 93 HE ARG 93 3.918 -12.205 -5.457 796 HH11 ARG 93 HH11 ARG 93 1.481 -9.964 -6.752 797 HH12 ARG 93 HH12 ARG 93 2.015 -10.192 -8.342 798 HH21 ARG 93 HH21 ARG 93 4.622 -12.415 -7.656 799 HH22 ARG 93 HH22 ARG 93 3.782 -11.565 -8.869 800 H ILE 94 HN ILE 94 6.051 -11.778 -0.952 801 HA ILE 94 HA ILE 94 8.502 -11.126 -2.362 802 HB ILE 94 HB ILE 94 7.839 -11.325 0.597 803 HG12 ILE 94 HG12 ILE 94 8.741 -8.971 0.641 804 HG13 ILE 94 HG11 ILE 94 8.889 -9.046 -1.103 805 HG21 ILE 94 HG21 ILE 94 10.611 -10.966 -0.527 806 HG22 ILE 94 HG22 ILE 94 10.016 -12.356 0.378 807 HG23 ILE 94 HG23 ILE 94 10.163 -10.787 1.170 808 HD11 ILE 94 HD11 ILE 94 6.458 -9.288 -1.269 809 HD12 ILE 94 HD12 ILE 94 6.925 -7.815 -0.421 810 HD13 ILE 94 HD13 ILE 94 6.337 -9.206 0.489 811 H LEU 95 HN LEU 95 6.918 -13.744 -0.760 812 HA LEU 95 HA LEU 95 9.199 -15.509 -1.108 813 HB2 LEU 95 HB2 LEU 95 6.469 -16.000 0.088 814 HB3 LEU 95 HB1 LEU 95 7.821 -17.113 0.134 815 HG LEU 95 HG LEU 95 7.739 -14.417 1.493 816 HD11 LEU 95 HD11 LEU 95 6.186 -15.988 2.508 817 HD12 LEU 95 HD12 LEU 95 7.566 -15.685 3.564 818 HD13 LEU 95 HD13 LEU 95 7.478 -17.182 2.640 819 HD21 LEU 95 HD21 LEU 95 9.771 -15.194 2.628 820 HD22 LEU 95 HD22 LEU 95 10.001 -15.077 0.885 821 HD23 LEU 95 HD23 LEU 95 9.761 -16.654 1.637 Start of MODEL 14 1 H MET 1 H MET 1 11.811 14.030 -1.184 2 HA MET 1 HA MET 1 11.825 14.407 -4.122 3 HB2 MET 1 HB2 MET 1 13.833 13.254 -3.226 4 HB3 MET 1 HB1 MET 1 12.761 12.084 -2.447 5 HG2 MET 1 HG2 MET 1 13.721 11.155 -4.460 6 HG3 MET 1 HG1 MET 1 11.983 11.373 -4.660 7 HE1 MET 1 HE1 MET 1 13.454 12.018 -8.261 8 HE2 MET 1 HE2 MET 1 12.311 11.065 -7.316 9 HE3 MET 1 HE3 MET 1 14.046 10.865 -7.064 10 H ALA 2 HN ALA 2 10.231 13.503 -5.164 11 HA ALA 2 HA ALA 2 8.126 12.196 -3.615 12 HB1 ALA 2 HB1 ALA 2 8.007 13.475 -6.355 13 HB2 ALA 2 HB2 ALA 2 7.409 14.189 -4.855 14 HB3 ALA 2 HB3 ALA 2 6.652 12.734 -5.505 15 H TYR 3 HN TYR 3 7.562 10.211 -4.058 16 HA TYR 3 HA TYR 3 9.250 8.681 -5.875 17 HB2 TYR 3 HB2 TYR 3 7.428 7.851 -3.603 18 HB3 TYR 3 HB1 TYR 3 8.240 6.706 -4.656 19 HD1 TYR 3 HD1 TYR 3 9.477 9.830 -2.960 20 HD2 TYR 3 HD2 TYR 3 9.852 5.614 -3.387 21 HE1 TYR 3 HE1 TYR 3 11.402 9.859 -1.449 22 HE2 TYR 3 HE2 TYR 3 11.793 5.637 -1.875 23 HH TYR 3 HH TYR 3 13.329 6.977 -0.837 24 H PHE 4 HN PHE 4 8.134 6.835 -6.969 25 HA PHE 4 HA PHE 4 5.744 7.776 -8.366 26 HB2 PHE 4 HB2 PHE 4 7.559 5.386 -8.786 27 HB3 PHE 4 HB1 PHE 4 6.165 5.737 -9.802 28 HD1 PHE 4 HD1 PHE 4 6.233 7.631 -11.332 29 HD2 PHE 4 HD2 PHE 4 9.607 6.600 -8.964 30 HE1 PHE 4 HE1 PHE 4 7.662 9.011 -12.777 31 HE2 PHE 4 HE2 PHE 4 11.047 7.988 -10.401 32 HZ PHE 4 HZ PHE 4 10.074 9.195 -12.312 33 H LEU 5 HN LEU 5 3.886 6.228 -8.607 34 HA LEU 5 HA LEU 5 3.687 4.396 -6.294 35 HB2 LEU 5 HB2 LEU 5 2.339 6.655 -6.254 36 HB3 LEU 5 HB1 LEU 5 1.321 5.882 -7.435 37 HG LEU 5 HG LEU 5 0.274 5.759 -5.269 38 HD11 LEU 5 HD11 LEU 5 1.296 3.064 -6.066 39 HD12 LEU 5 HD12 LEU 5 -0.220 3.831 -6.571 40 HD13 LEU 5 HD13 LEU 5 0.030 3.347 -4.886 41 HD21 LEU 5 HD21 LEU 5 2.199 5.988 -3.844 42 HD22 LEU 5 HD22 LEU 5 2.745 4.370 -4.309 43 HD23 LEU 5 HD23 LEU 5 1.263 4.567 -3.386 44 H ASP 6 HN ASP 6 3.326 2.333 -6.966 45 HA ASP 6 HA ASP 6 1.728 1.934 -9.387 46 HB2 ASP 6 HB2 ASP 6 4.255 1.755 -9.907 47 HB3 ASP 6 HB1 ASP 6 4.219 0.339 -8.855 48 H PHE 7 HN PHE 7 0.745 -0.168 -9.445 49 HA PHE 7 HA PHE 7 0.413 -1.329 -6.745 50 HB2 PHE 7 HB2 PHE 7 -1.627 -1.150 -8.966 51 HB3 PHE 7 HB1 PHE 7 -1.877 -1.900 -7.406 52 HD1 PHE 7 HD2 PHE 7 -1.518 1.280 -9.207 53 HD2 PHE 7 HD1 PHE 7 -2.427 -0.582 -5.492 54 HE1 PHE 7 HE2 PHE 7 -2.459 3.395 -8.387 55 HE2 PHE 7 HE1 PHE 7 -3.382 1.527 -4.669 56 HZ PHE 7 HZ PHE 7 -3.396 3.519 -6.113 57 H ASP 8 HN ASP 8 0.657 -3.512 -6.615 58 HA ASP 8 HA ASP 8 1.443 -5.067 -8.864 59 HB2 ASP 8 HB2 ASP 8 2.223 -5.714 -6.671 60 HB3 ASP 8 HB1 ASP 8 0.572 -5.836 -6.073 61 H GLU 9 HN GLU 9 0.247 -6.907 -9.739 62 HA GLU 9 HA GLU 9 -2.324 -6.109 -10.419 63 HB2 GLU 9 HB2 GLU 9 -2.533 -8.228 -11.696 64 HB3 GLU 9 HB1 GLU 9 -1.095 -7.303 -12.060 65 HG2 GLU 9 HG2 GLU 9 -0.324 -9.478 -12.046 66 HG3 GLU 9 HG1 GLU 9 0.069 -8.932 -10.422 67 H ARG 10 HN ARG 10 -1.356 -8.268 -7.816 68 HA ARG 10 HA ARG 10 -4.016 -9.226 -7.352 69 HB2 ARG 10 HB2 ARG 10 -1.654 -9.036 -5.467 70 HB3 ARG 10 HB1 ARG 10 -3.191 -9.764 -5.031 71 HG2 ARG 10 HG2 ARG 10 -2.865 -11.401 -6.856 72 HG3 ARG 10 HG1 ARG 10 -1.261 -10.710 -7.126 73 HD2 ARG 10 HD2 ARG 10 -0.648 -11.259 -4.814 74 HD3 ARG 10 HD1 ARG 10 -2.247 -11.964 -4.561 75 HE ARG 10 HE ARG 10 -0.976 -13.096 -6.796 76 HH11 ARG 10 HH11 ARG 10 -1.014 -13.308 -3.210 77 HH12 ARG 10 HH12 ARG 10 -0.330 -14.867 -3.207 78 HH21 ARG 10 HH21 ARG 10 -0.066 -15.271 -6.693 79 HH22 ARG 10 HH22 ARG 10 0.211 -15.990 -5.178 80 H ALA 11 HN ALA 11 -2.128 -6.523 -6.282 81 HA ALA 11 HA ALA 11 -3.933 -5.546 -4.350 82 HB1 ALA 11 HB1 ALA 11 -1.878 -4.036 -5.964 83 HB2 ALA 11 HB2 ALA 11 -1.590 -4.837 -4.417 84 HB3 ALA 11 HB3 ALA 11 -2.681 -3.451 -4.508 85 H LEU 12 HN LEU 12 -3.564 -5.023 -7.812 86 HA LEU 12 HA LEU 12 -5.372 -2.912 -8.116 87 HB2 LEU 12 HB2 LEU 12 -4.439 -5.063 -9.983 88 HB3 LEU 12 HB1 LEU 12 -5.592 -3.847 -10.479 89 HG LEU 12 HG LEU 12 -2.804 -3.232 -9.486 90 HD11 LEU 12 HD11 LEU 12 -2.279 -2.782 -11.823 91 HD12 LEU 12 HD12 LEU 12 -3.897 -3.302 -12.299 92 HD13 LEU 12 HD13 LEU 12 -2.762 -4.466 -11.618 93 HD21 LEU 12 HD21 LEU 12 -4.916 -1.532 -10.817 94 HD22 LEU 12 HD22 LEU 12 -3.272 -1.017 -10.461 95 HD23 LEU 12 HD23 LEU 12 -4.374 -1.395 -9.143 96 H LYS 13 HN LYS 13 -5.833 -6.374 -8.216 97 HA LYS 13 HA LYS 13 -8.516 -6.398 -9.053 98 HB2 LYS 13 HB2 LYS 13 -6.962 -8.344 -7.362 99 HB3 LYS 13 HB1 LYS 13 -8.529 -8.680 -8.095 100 HG2 LYS 13 HG2 LYS 13 -7.650 -8.570 -10.274 101 HG3 LYS 13 HG1 LYS 13 -6.158 -7.828 -9.707 102 HD2 LYS 13 HD2 LYS 13 -5.531 -9.821 -8.583 103 HD3 LYS 13 HD1 LYS 13 -7.046 -10.621 -9.017 104 HE2 LYS 13 HE2 LYS 13 -6.439 -10.416 -11.405 105 HE3 LYS 13 HE1 LYS 13 -4.932 -9.630 -10.945 106 HZ1 LYS 13 HZ1 LYS 13 -4.260 -11.655 -9.826 107 HZ2 LYS 13 HZ2 LYS 13 -4.574 -11.936 -11.442 108 HZ3 LYS 13 HZ3 LYS 13 -5.704 -12.419 -10.262 109 H GLU 14 HN GLU 14 -7.106 -6.468 -5.776 110 HA GLU 14 HA GLU 14 -9.590 -6.384 -4.455 111 HB2 GLU 14 HB2 GLU 14 -6.805 -5.679 -3.566 112 HB3 GLU 14 HB1 GLU 14 -8.195 -5.770 -2.489 113 HG2 GLU 14 HG2 GLU 14 -7.193 -8.012 -4.198 114 HG3 GLU 14 HG1 GLU 14 -6.813 -7.835 -2.496 115 H TRP 15 HN TRP 15 -7.360 -3.895 -5.538 116 HA TRP 15 HA TRP 15 -8.484 -1.642 -4.325 117 HB2 TRP 15 HB2 TRP 15 -6.292 -1.677 -5.423 118 HB3 TRP 15 HB1 TRP 15 -7.058 -1.950 -6.974 119 HD1 TRP 15 HD1 TRP 15 -7.851 0.143 -8.297 120 HE1 TRP 15 HE1 TRP 15 -7.616 2.683 -7.920 121 HE3 TRP 15 HE3 TRP 15 -6.293 0.091 -3.433 122 HZ2 TRP 15 HZ2 TRP 15 -6.875 4.426 -5.823 123 HZ3 TRP 15 HZ3 TRP 15 -5.841 2.239 -2.314 124 HH2 TRP 15 HH2 TRP 15 -6.126 4.352 -3.486 125 H ARG 16 HN ARG 16 -9.264 -3.289 -7.296 126 HA ARG 16 HA ARG 16 -11.279 -1.447 -8.165 127 HB2 ARG 16 HB2 ARG 16 -10.687 -4.287 -8.977 128 HB3 ARG 16 HB1 ARG 16 -11.831 -3.241 -9.811 129 HG2 ARG 16 HG2 ARG 16 -10.054 -1.714 -10.406 130 HG3 ARG 16 HG1 ARG 16 -8.909 -2.638 -9.446 131 HD2 ARG 16 HD2 ARG 16 -9.270 -4.564 -10.922 132 HD3 ARG 16 HD1 ARG 16 -10.338 -3.568 -11.927 133 HE ARG 16 HE ARG 16 -8.075 -2.119 -11.766 134 HH11 ARG 16 HH11 ARG 16 -8.752 -5.389 -12.909 135 HH12 ARG 16 HH12 ARG 16 -7.381 -5.446 -13.922 136 HH21 ARG 16 HH21 ARG 16 -6.237 -2.188 -13.161 137 HH22 ARG 16 HH22 ARG 16 -5.901 -3.587 -14.057 138 H LYS 17 HN LYS 17 -11.190 -4.252 -6.163 139 HA LYS 17 HA LYS 17 -14.023 -4.690 -6.053 140 HB2 LYS 17 HB2 LYS 17 -12.371 -6.490 -5.666 141 HB3 LYS 17 HB1 LYS 17 -11.801 -5.643 -4.239 142 HG2 LYS 17 HG2 LYS 17 -13.980 -5.930 -3.195 143 HG3 LYS 17 HG1 LYS 17 -14.546 -6.762 -4.645 144 HD2 LYS 17 HD2 LYS 17 -12.914 -8.513 -4.319 145 HD3 LYS 17 HD1 LYS 17 -12.265 -7.683 -2.907 146 HE2 LYS 17 HE2 LYS 17 -13.750 -9.454 -2.220 147 HE3 LYS 17 HE1 LYS 17 -14.422 -7.878 -1.803 148 HZ1 LYS 17 HZ1 LYS 17 -15.885 -8.036 -3.769 149 HZ2 LYS 17 HZ2 LYS 17 -16.131 -9.305 -2.710 150 HZ3 LYS 17 HZ3 LYS 17 -15.245 -9.566 -4.115 151 H LEU 18 HN LEU 18 -11.724 -2.747 -4.372 152 HA LEU 18 HA LEU 18 -13.139 -2.183 -2.010 153 HB2 LEU 18 HB2 LEU 18 -10.814 -1.135 -3.385 154 HB3 LEU 18 HB1 LEU 18 -11.732 0.115 -2.578 155 HG LEU 18 HG LEU 18 -11.516 -1.091 -0.455 156 HD11 LEU 18 HD11 LEU 18 -9.970 -2.953 -0.256 157 HD12 LEU 18 HD12 LEU 18 -9.793 -3.000 -2.015 158 HD13 LEU 18 HD13 LEU 18 -11.356 -3.347 -1.270 159 HD21 LEU 18 HD21 LEU 18 -9.942 0.612 -1.059 160 HD22 LEU 18 HD22 LEU 18 -8.925 -0.573 -1.883 161 HD23 LEU 18 HD23 LEU 18 -9.152 -0.660 -0.131 162 H GLY 19 HN GLY 19 -14.316 -0.421 -1.402 163 HA2 GLY 19 HA2 GLY 19 -16.192 0.537 -3.309 164 HA3 GLY 19 HA1 GLY 19 -16.030 1.074 -1.639 165 H SER 20 HN SER 20 -16.403 2.523 -4.204 166 HA SER 20 HA SER 20 -14.333 3.918 -5.206 167 HB2 SER 20 HB2 SER 20 -17.011 5.081 -4.429 168 HB3 SER 20 HB1 SER 20 -15.936 5.655 -5.709 169 HG SER 20 HG SER 20 -17.755 3.640 -5.758 170 H THR 21 HN THR 21 -16.124 4.806 -2.312 171 HA THR 21 HA THR 21 -14.660 7.190 -1.778 172 HB THR 21 HB THR 21 -16.246 5.628 0.267 173 HG1 THR 21 HG1 THR 21 -17.055 6.953 -2.050 174 HG21 THR 21 HG21 THR 21 -15.827 8.593 -0.177 175 HG22 THR 21 HG22 THR 21 -15.027 7.623 1.058 176 HG23 THR 21 HG23 THR 21 -16.772 7.870 1.125 177 H VAL 22 HN VAL 22 -14.402 3.856 -0.735 178 HA VAL 22 HA VAL 22 -12.637 4.264 1.441 179 HB VAL 22 HB VAL 22 -13.192 1.814 -0.258 180 HG11 VAL 22 HG11 VAL 22 -10.995 1.636 0.837 181 HG12 VAL 22 HG12 VAL 22 -12.165 0.491 1.490 182 HG13 VAL 22 HG13 VAL 22 -11.768 1.949 2.393 183 HG21 VAL 22 HG21 VAL 22 -15.128 2.554 0.933 184 HG22 VAL 22 HG22 VAL 22 -14.211 2.696 2.430 185 HG23 VAL 22 HG23 VAL 22 -14.505 1.107 1.729 186 H ARG 23 HN ARG 23 -12.166 3.255 -1.912 187 HA ARG 23 HA ARG 23 -9.372 3.205 -1.594 188 HB2 ARG 23 HB2 ARG 23 -9.215 2.984 -4.045 189 HB3 ARG 23 HB1 ARG 23 -10.216 1.786 -3.253 190 HG2 ARG 23 HG2 ARG 23 -12.129 2.596 -4.116 191 HG3 ARG 23 HG1 ARG 23 -11.525 4.191 -4.516 192 HD2 ARG 23 HD2 ARG 23 -9.943 3.036 -6.113 193 HD3 ARG 23 HD1 ARG 23 -10.735 1.518 -5.718 194 HE ARG 23 HE ARG 23 -12.424 3.615 -6.768 195 HH11 ARG 23 HH11 ARG 23 -10.610 0.640 -7.376 196 HH12 ARG 23 HH12 ARG 23 -11.228 0.430 -8.965 197 HH21 ARG 23 HH21 ARG 23 -13.332 3.242 -8.924 198 HH22 ARG 23 HH22 ARG 23 -12.817 1.903 -9.839 199 H GLU 24 HN GLU 24 -11.549 5.705 -2.708 200 HA GLU 24 HA GLU 24 -9.651 7.467 -3.711 201 HB2 GLU 24 HB2 GLU 24 -12.296 7.857 -2.422 202 HB3 GLU 24 HB1 GLU 24 -11.348 9.267 -2.821 203 HG2 GLU 24 HG2 GLU 24 -11.251 8.387 -5.182 204 HG3 GLU 24 HG1 GLU 24 -12.368 7.124 -4.682 205 H GLN 25 HN GLN 25 -10.637 6.944 -0.372 206 HA GLN 25 HA GLN 25 -9.109 9.109 0.637 207 HB2 GLN 25 HB2 GLN 25 -10.389 6.704 1.819 208 HB3 GLN 25 HB1 GLN 25 -9.489 7.874 2.809 209 HG2 GLN 25 HG2 GLN 25 -11.041 9.566 2.312 210 HG3 GLN 25 HG1 GLN 25 -11.789 8.607 1.034 211 HE21 GLN 25 HE21 GLN 25 -13.094 7.009 1.549 212 HE22 GLN 25 HE22 GLN 25 -13.853 6.779 3.092 213 H LEU 26 HN LEU 26 -8.524 5.683 0.127 214 HA LEU 26 HA LEU 26 -5.996 5.582 1.412 215 HB2 LEU 26 HB2 LEU 26 -7.207 3.888 -0.745 216 HB3 LEU 26 HB1 LEU 26 -5.660 3.534 -0.012 217 HG LEU 26 HG LEU 26 -8.299 3.595 1.476 218 HD11 LEU 26 HD11 LEU 26 -8.152 1.728 -0.089 219 HD12 LEU 26 HD12 LEU 26 -8.059 1.179 1.584 220 HD13 LEU 26 HD13 LEU 26 -6.596 1.270 0.602 221 HD21 LEU 26 HD21 LEU 26 -5.538 2.736 2.352 222 HD22 LEU 26 HD22 LEU 26 -7.014 2.568 3.296 223 HD23 LEU 26 HD23 LEU 26 -6.399 4.173 2.907 224 H LYS 27 HN LYS 27 -7.033 6.179 -1.878 225 HA LYS 27 HA LYS 27 -4.542 6.353 -3.107 226 HB2 LYS 27 HB2 LYS 27 -6.663 6.325 -4.339 227 HB3 LYS 27 HB1 LYS 27 -7.022 7.935 -3.727 228 HG2 LYS 27 HG2 LYS 27 -4.929 8.723 -4.807 229 HG3 LYS 27 HG1 LYS 27 -4.779 7.141 -5.578 230 HD2 LYS 27 HD2 LYS 27 -5.793 8.616 -7.157 231 HD3 LYS 27 HD1 LYS 27 -7.058 7.541 -6.557 232 HE2 LYS 27 HE2 LYS 27 -7.850 9.263 -5.045 233 HE3 LYS 27 HE1 LYS 27 -6.527 10.322 -5.523 234 HZ1 LYS 27 HZ1 LYS 27 -7.451 10.376 -7.765 235 HZ2 LYS 27 HZ2 LYS 27 -8.590 10.894 -6.642 236 HZ3 LYS 27 HZ3 LYS 27 -8.700 9.346 -7.293 237 H LYS 28 HN LYS 28 -6.459 8.824 -1.486 238 HA LYS 28 HA LYS 28 -4.772 11.023 -1.883 239 HB2 LYS 28 HB2 LYS 28 -6.508 10.381 0.514 240 HB3 LYS 28 HB1 LYS 28 -5.743 11.940 0.241 241 HG2 LYS 28 HG2 LYS 28 -7.037 12.204 -1.792 242 HG3 LYS 28 HG1 LYS 28 -7.791 10.635 -1.512 243 HD2 LYS 28 HD2 LYS 28 -8.682 11.439 0.623 244 HD3 LYS 28 HD1 LYS 28 -7.925 13.007 0.344 245 HE2 LYS 28 HE2 LYS 28 -9.990 11.712 -1.392 246 HE3 LYS 28 HE1 LYS 28 -10.310 12.995 -0.216 247 HZ1 LYS 28 HZ1 LYS 28 -8.799 14.438 -1.521 248 HZ2 LYS 28 HZ2 LYS 28 -10.104 13.915 -2.440 249 HZ3 LYS 28 HZ3 LYS 28 -8.617 13.204 -2.659 250 H LYS 29 HN LYS 29 -4.727 8.545 0.600 251 HA LYS 29 HA LYS 29 -2.463 9.516 1.935 252 HB2 LYS 29 HB2 LYS 29 -3.682 6.770 1.872 253 HB3 LYS 29 HB1 LYS 29 -2.264 7.155 2.841 254 HG2 LYS 29 HG2 LYS 29 -4.983 8.426 3.099 255 HG3 LYS 29 HG1 LYS 29 -4.285 7.217 4.186 256 HD2 LYS 29 HD2 LYS 29 -2.436 8.767 4.681 257 HD3 LYS 29 HD1 LYS 29 -3.187 9.954 3.615 258 HE2 LYS 29 HE2 LYS 29 -5.177 9.918 5.058 259 HE3 LYS 29 HE1 LYS 29 -4.296 8.848 6.148 260 HZ1 LYS 29 HZ1 LYS 29 -3.239 11.491 5.344 261 HZ2 LYS 29 HZ2 LYS 29 -2.717 10.523 6.636 262 HZ3 LYS 29 HZ3 LYS 29 -4.209 11.305 6.709 263 H LEU 30 HN LEU 30 -2.751 7.370 -0.751 264 HA LEU 30 HA LEU 30 -0.029 6.676 -0.896 265 HB2 LEU 30 HB2 LEU 30 -2.038 6.944 -3.130 266 HB3 LEU 30 HB1 LEU 30 -0.497 6.114 -3.242 267 HG LEU 30 HG LEU 30 -2.803 5.300 -1.478 268 HD11 LEU 30 HD11 LEU 30 -1.746 4.068 -4.008 269 HD12 LEU 30 HD12 LEU 30 -3.267 4.933 -3.835 270 HD13 LEU 30 HD13 LEU 30 -3.020 3.406 -2.989 271 HD21 LEU 30 HD21 LEU 30 -0.671 4.723 -0.497 272 HD22 LEU 30 HD22 LEU 30 -0.155 3.943 -1.996 273 HD23 LEU 30 HD23 LEU 30 -1.495 3.276 -1.065 274 H VAL 31 HN VAL 31 -1.894 9.315 -2.237 275 HA VAL 31 HA VAL 31 0.170 10.469 -3.757 276 HB VAL 31 HB VAL 31 -2.353 11.730 -2.617 277 HG11 VAL 31 HG11 VAL 31 -0.704 13.460 -3.108 278 HG12 VAL 31 HG12 VAL 31 -2.042 13.505 -4.259 279 HG13 VAL 31 HG13 VAL 31 -0.488 12.808 -4.735 280 HG21 VAL 31 HG21 VAL 31 -2.756 9.917 -4.128 281 HG22 VAL 31 HG22 VAL 31 -1.694 10.642 -5.343 282 HG23 VAL 31 HG23 VAL 31 -3.202 11.448 -4.882 283 H GLU 32 HN GLU 32 -0.946 11.218 -0.425 284 HA GLU 32 HA GLU 32 1.044 13.215 -0.101 285 HB2 GLU 32 HB2 GLU 32 0.528 13.196 2.313 286 HB3 GLU 32 HB1 GLU 32 -0.915 13.309 1.316 287 HG2 GLU 32 HG2 GLU 32 -1.514 11.120 1.754 288 HG3 GLU 32 HG1 GLU 32 0.053 10.713 2.457 289 H VAL 33 HN VAL 33 1.015 9.773 0.589 290 HA VAL 33 HA VAL 33 3.319 9.828 2.153 291 HB VAL 33 HB VAL 33 1.641 7.918 2.084 292 HG11 VAL 33 HG11 VAL 33 3.283 6.991 -0.254 293 HG12 VAL 33 HG12 VAL 33 1.627 7.570 -0.330 294 HG13 VAL 33 HG13 VAL 33 1.999 6.081 0.553 295 HG21 VAL 33 HG21 VAL 33 3.241 6.275 2.741 296 HG22 VAL 33 HG22 VAL 33 3.818 7.865 3.285 297 HG23 VAL 33 HG23 VAL 33 4.479 7.105 1.820 298 H LEU 34 HN LEU 34 2.951 9.735 -1.275 299 HA LEU 34 HA LEU 34 5.432 8.817 -2.079 300 HB2 LEU 34 HB2 LEU 34 3.737 10.963 -3.304 301 HB3 LEU 34 HB1 LEU 34 5.158 10.292 -4.076 302 HG LEU 34 HG LEU 34 2.648 8.785 -3.377 303 HD11 LEU 34 HD11 LEU 34 2.347 8.679 -5.808 304 HD12 LEU 34 HD12 LEU 34 3.787 9.690 -6.009 305 HD13 LEU 34 HD13 LEU 34 2.357 10.341 -5.218 306 HD21 LEU 34 HD21 LEU 34 4.565 7.338 -3.200 307 HD22 LEU 34 HD22 LEU 34 5.199 7.945 -4.722 308 HD23 LEU 34 HD23 LEU 34 3.731 6.977 -4.716 309 H GLU 35 HN GLU 35 4.729 11.927 -0.622 310 HA GLU 35 HA GLU 35 7.387 12.834 -1.413 311 HB2 GLU 35 HB2 GLU 35 6.766 15.043 -0.603 312 HB3 GLU 35 HB1 GLU 35 5.578 14.446 -1.748 313 HG2 GLU 35 HG2 GLU 35 4.091 13.873 0.094 314 HG3 GLU 35 HG1 GLU 35 5.297 14.453 1.242 315 H SER 36 HN SER 36 6.012 11.177 1.074 316 HA SER 36 HA SER 36 8.357 11.486 2.710 317 HB2 SER 36 HB2 SER 36 6.998 11.994 4.781 318 HB3 SER 36 HB1 SER 36 7.058 13.321 3.623 319 HG SER 36 HG SER 36 4.999 11.408 3.667 320 HA PRO 37 HA PRO 37 6.112 7.359 2.662 321 HB2 PRO 37 HB2 PRO 37 7.782 5.838 1.232 322 HB3 PRO 37 HB1 PRO 37 6.686 6.982 0.457 323 HG2 PRO 37 HG2 PRO 37 9.583 7.350 1.135 324 HG3 PRO 37 HG1 PRO 37 8.759 7.647 -0.407 325 HD2 PRO 37 HD2 PRO 37 9.258 9.661 1.341 326 HD3 PRO 37 HD1 PRO 37 7.788 9.599 0.330 327 H ARG 38 HN ARG 38 8.926 8.425 3.954 328 HA ARG 38 HA ARG 38 9.638 5.855 5.129 329 HB2 ARG 38 HB2 ARG 38 11.617 7.204 6.089 330 HB3 ARG 38 HB1 ARG 38 11.578 6.879 4.369 331 HG2 ARG 38 HG2 ARG 38 12.301 9.100 4.603 332 HG3 ARG 38 HG1 ARG 38 10.634 9.210 4.069 333 HD2 ARG 38 HD2 ARG 38 11.051 10.852 5.787 334 HD3 ARG 38 HD1 ARG 38 9.960 9.620 6.423 335 HE ARG 38 HE ARG 38 12.723 9.110 6.958 336 HH11 ARG 38 HH11 ARG 38 9.880 10.876 8.111 337 HH12 ARG 38 HH12 ARG 38 10.360 10.924 9.739 338 HH21 ARG 38 HH21 ARG 38 13.421 9.170 9.207 339 HH22 ARG 38 HH22 ARG 38 12.432 9.904 10.375 340 H ILE 39 HN ILE 39 7.241 6.699 5.984 341 HA ILE 39 HA ILE 39 7.493 8.121 8.482 342 HB ILE 39 HB ILE 39 5.058 6.859 7.178 343 HG12 ILE 39 HG12 ILE 39 5.888 9.754 7.444 344 HG13 ILE 39 HG11 ILE 39 6.035 8.786 5.985 345 HG21 ILE 39 HG21 ILE 39 5.172 8.651 9.613 346 HG22 ILE 39 HG22 ILE 39 4.770 6.936 9.609 347 HG23 ILE 39 HG23 ILE 39 3.707 8.089 8.808 348 HD11 ILE 39 HD11 ILE 39 3.467 9.573 7.354 349 HD12 ILE 39 HD12 ILE 39 3.595 8.559 5.914 350 HD13 ILE 39 HD13 ILE 39 4.123 10.240 5.854 351 H GLU 40 HN GLU 40 8.124 7.143 10.240 352 HA GLU 40 HA GLU 40 8.518 4.397 10.619 353 HB2 GLU 40 HB2 GLU 40 8.847 4.956 13.014 354 HB3 GLU 40 HB1 GLU 40 9.754 6.008 11.937 355 HG2 GLU 40 HG2 GLU 40 8.426 7.834 12.397 356 HG3 GLU 40 HG1 GLU 40 7.060 6.842 12.904 357 H ALA 41 HN ALA 41 5.868 6.407 11.325 358 HA ALA 41 HA ALA 41 4.526 4.773 13.213 359 HB1 ALA 41 HB1 ALA 41 4.170 7.159 13.083 360 HB2 ALA 41 HB2 ALA 41 2.649 6.278 12.917 361 HB3 ALA 41 HB3 ALA 41 3.422 6.979 11.497 362 H ASN 42 HN ASN 42 4.685 4.780 9.807 363 HA ASN 42 HA ASN 42 2.277 3.130 9.635 364 HB2 ASN 42 HB2 ASN 42 3.791 4.626 7.488 365 HB3 ASN 42 HB1 ASN 42 2.487 3.499 7.150 366 HD21 ASN 42 HD21 ASN 42 2.700 6.339 6.582 367 HD22 ASN 42 HD22 ASN 42 1.347 7.092 7.344 368 H LYS 43 HN LYS 43 5.666 2.833 9.751 369 HA LYS 43 HA LYS 43 6.046 0.925 7.794 370 HB2 LYS 43 HB2 LYS 43 7.664 2.442 9.136 371 HB3 LYS 43 HB1 LYS 43 7.691 1.090 10.267 372 HG2 LYS 43 HG2 LYS 43 8.383 -0.391 8.555 373 HG3 LYS 43 HG1 LYS 43 8.178 0.920 7.377 374 HD2 LYS 43 HD2 LYS 43 9.925 2.202 8.528 375 HD3 LYS 43 HD1 LYS 43 10.197 0.840 9.613 376 HE2 LYS 43 HE2 LYS 43 10.758 -0.587 7.693 377 HE3 LYS 43 HE1 LYS 43 10.512 0.783 6.615 378 HZ1 LYS 43 HZ1 LYS 43 12.564 0.601 8.738 379 HZ2 LYS 43 HZ2 LYS 43 12.343 1.918 7.716 380 HZ3 LYS 43 HZ3 LYS 43 12.843 0.437 7.083 381 H LEU 44 HN LEU 44 6.145 -1.299 7.880 382 HA LEU 44 HA LEU 44 4.368 -2.527 9.739 383 HB2 LEU 44 HB2 LEU 44 6.113 -3.771 7.620 384 HB3 LEU 44 HB1 LEU 44 4.960 -4.658 8.590 385 HG LEU 44 HG LEU 44 4.351 -2.529 6.541 386 HD11 LEU 44 HD11 LEU 44 3.743 -5.467 6.670 387 HD12 LEU 44 HD12 LEU 44 4.888 -4.673 5.585 388 HD13 LEU 44 HD13 LEU 44 3.159 -4.357 5.439 389 HD21 LEU 44 HD21 LEU 44 1.986 -3.030 7.010 390 HD22 LEU 44 HD22 LEU 44 2.823 -2.255 8.350 391 HD23 LEU 44 HD23 LEU 44 2.489 -3.991 8.408 392 H ARG 45 HN ARG 45 4.936 -4.644 10.742 393 HA ARG 45 HA ARG 45 6.613 -4.222 12.937 394 HB2 ARG 45 HB2 ARG 45 4.706 -5.771 12.871 395 HB3 ARG 45 HB1 ARG 45 5.602 -6.818 11.785 396 HG2 ARG 45 HG2 ARG 45 7.311 -7.077 13.607 397 HG3 ARG 45 HG1 ARG 45 6.180 -6.236 14.677 398 HD2 ARG 45 HD2 ARG 45 5.888 -8.629 14.928 399 HD3 ARG 45 HD1 ARG 45 4.472 -7.934 14.129 400 HE ARG 45 HE ARG 45 6.640 -9.183 12.602 401 HH11 ARG 45 HH11 ARG 45 3.181 -9.101 13.461 402 HH12 ARG 45 HH12 ARG 45 2.710 -10.134 12.209 403 HH21 ARG 45 HH21 ARG 45 5.944 -10.681 10.887 404 HH22 ARG 45 HH22 ARG 45 4.293 -11.076 10.770 405 H GLY 46 HN GLY 46 7.114 -6.190 10.044 406 HA2 GLY 46 HA2 GLY 46 9.911 -5.783 10.087 407 HA3 GLY 46 HA1 GLY 46 9.490 -7.399 10.652 408 H MET 47 HN MET 47 9.430 -5.195 7.989 409 HA MET 47 HA MET 47 9.270 -7.368 6.099 410 HB2 MET 47 HB2 MET 47 7.293 -5.092 6.235 411 HB3 MET 47 HB1 MET 47 7.555 -6.014 4.767 412 HG2 MET 47 HG2 MET 47 6.568 -7.123 7.390 413 HG3 MET 47 HG1 MET 47 5.553 -6.714 6.012 414 HE1 MET 47 HE1 MET 47 7.447 -7.707 3.582 415 HE2 MET 47 HE2 MET 47 5.704 -7.906 3.683 416 HE3 MET 47 HE3 MET 47 6.728 -9.297 3.326 417 HA PRO 48 HA PRO 48 12.401 -4.807 4.241 418 HB2 PRO 48 HB2 PRO 48 11.249 -5.541 1.602 419 HB3 PRO 48 HB1 PRO 48 12.901 -5.736 2.195 420 HG2 PRO 48 HG2 PRO 48 11.317 -7.846 2.011 421 HG3 PRO 48 HG1 PRO 48 12.382 -7.647 3.416 422 HD2 PRO 48 HD2 PRO 48 9.441 -7.133 3.186 423 HD3 PRO 48 HD1 PRO 48 10.348 -7.924 4.497 424 H ASP 49 HN ASP 49 11.578 -2.844 4.938 425 HA ASP 49 HA ASP 49 10.678 -0.781 4.875 426 HB2 ASP 49 HB2 ASP 49 11.772 -0.967 2.068 427 HB3 ASP 49 HB1 ASP 49 11.099 0.520 2.721 428 H CYS 50 HN CYS 50 8.752 -2.514 4.810 429 HA CYS 50 HA CYS 50 6.852 -1.523 2.823 430 HB2 CYS 50 HB2 CYS 50 6.593 -3.836 4.734 431 HB3 CYS 50 HB1 CYS 50 5.464 -3.425 3.448 432 HG CYS 50 HG CYS 50 8.565 -3.885 2.325 433 H TYR 51 HN TYR 51 4.958 -0.569 3.441 434 HA TYR 51 HA TYR 51 4.730 0.177 6.262 435 HB2 TYR 51 HB2 TYR 51 4.436 2.098 3.925 436 HB3 TYR 51 HB1 TYR 51 4.177 2.490 5.614 437 HD1 TYR 51 HD1 TYR 51 6.824 1.356 3.249 438 HD2 TYR 51 HD2 TYR 51 5.964 3.378 6.878 439 HE1 TYR 51 HE1 TYR 51 9.170 2.052 3.401 440 HE2 TYR 51 HE2 TYR 51 8.323 4.077 7.041 441 HH TYR 51 HH TYR 51 10.513 3.752 4.423 442 H LYS 52 HN LYS 52 2.581 1.033 6.731 443 HA LYS 52 HA LYS 52 0.487 -0.390 5.230 444 HB2 LYS 52 HB2 LYS 52 -0.584 -0.815 7.303 445 HB3 LYS 52 HB1 LYS 52 1.114 -1.157 7.610 446 HG2 LYS 52 HG2 LYS 52 1.333 1.156 8.568 447 HG3 LYS 52 HG1 LYS 52 -0.405 1.330 8.410 448 HD2 LYS 52 HD2 LYS 52 -0.006 0.745 10.666 449 HD3 LYS 52 HD1 LYS 52 -0.596 -0.725 9.898 450 HE2 LYS 52 HE2 LYS 52 1.603 -1.623 9.764 451 HE3 LYS 52 HE1 LYS 52 2.332 -0.097 10.283 452 HZ1 LYS 52 HZ1 LYS 52 0.570 -1.848 11.908 453 HZ2 LYS 52 HZ2 LYS 52 1.263 -0.396 12.427 454 HZ3 LYS 52 HZ3 LYS 52 2.241 -1.711 12.065 455 H ILE 53 HN ILE 53 -1.494 0.704 5.137 456 HA ILE 53 HA ILE 53 -1.631 3.411 6.257 457 HB ILE 53 HB ILE 53 -2.969 2.509 3.670 458 HG12 ILE 53 HG12 ILE 53 -0.755 4.531 4.082 459 HG13 ILE 53 HG11 ILE 53 -0.567 2.918 3.398 460 HG21 ILE 53 HG21 ILE 53 -3.735 4.843 3.475 461 HG22 ILE 53 HG22 ILE 53 -3.017 5.216 5.036 462 HG23 ILE 53 HG23 ILE 53 -4.357 4.075 4.935 463 HD11 ILE 53 HD11 ILE 53 -1.933 3.521 1.506 464 HD12 ILE 53 HD12 ILE 53 -0.633 4.706 1.687 465 HD13 ILE 53 HD13 ILE 53 -2.267 5.093 2.215 466 H LYS 54 HN LYS 54 -3.390 3.708 7.467 467 HA LYS 54 HA LYS 54 -5.362 1.604 7.415 468 HB2 LYS 54 HB2 LYS 54 -5.803 1.911 9.830 469 HB3 LYS 54 HB1 LYS 54 -4.162 1.377 9.539 470 HG2 LYS 54 HG2 LYS 54 -4.902 4.243 10.060 471 HG3 LYS 54 HG1 LYS 54 -4.512 3.099 11.336 472 HD2 LYS 54 HD2 LYS 54 -2.275 2.823 10.465 473 HD3 LYS 54 HD1 LYS 54 -2.630 3.836 9.069 474 HE2 LYS 54 HE2 LYS 54 -3.145 5.652 10.522 475 HE3 LYS 54 HE1 LYS 54 -2.723 4.671 11.932 476 HZ1 LYS 54 HZ1 LYS 54 -0.450 4.491 11.006 477 HZ2 LYS 54 HZ2 LYS 54 -0.843 6.059 11.382 478 HZ3 LYS 54 HZ3 LYS 54 -0.848 5.562 9.765 479 H LEU 55 HN LEU 55 -7.314 2.241 6.932 480 HA LEU 55 HA LEU 55 -7.612 4.953 6.180 481 HB2 LEU 55 HB2 LEU 55 -8.557 2.903 5.012 482 HB3 LEU 55 HB1 LEU 55 -9.787 2.888 6.258 483 HG LEU 55 HG LEU 55 -10.509 5.195 5.482 484 HD11 LEU 55 HD11 LEU 55 -8.493 4.701 3.356 485 HD12 LEU 55 HD12 LEU 55 -8.411 5.928 4.630 486 HD13 LEU 55 HD13 LEU 55 -9.691 5.985 3.430 487 HD21 LEU 55 HD21 LEU 55 -11.550 4.427 3.458 488 HD22 LEU 55 HD22 LEU 55 -11.571 3.119 4.650 489 HD23 LEU 55 HD23 LEU 55 -10.391 3.107 3.338 490 H ARG 56 HN ARG 56 -8.707 6.526 7.091 491 HA ARG 56 HA ARG 56 -9.165 6.493 9.857 492 HB2 ARG 56 HB2 ARG 56 -8.454 8.489 8.695 493 HB3 ARG 56 HB1 ARG 56 -9.928 8.506 7.746 494 HG2 ARG 56 HG2 ARG 56 -10.026 10.184 9.485 495 HG3 ARG 56 HG1 ARG 56 -11.223 8.929 9.795 496 HD2 ARG 56 HD2 ARG 56 -9.719 7.905 11.424 497 HD3 ARG 56 HD1 ARG 56 -8.515 9.154 11.101 498 HE ARG 56 HE ARG 56 -11.001 10.284 11.835 499 HH11 ARG 56 HH11 ARG 56 -8.220 8.637 13.224 500 HH12 ARG 56 HH12 ARG 56 -8.352 9.401 14.743 501 HH21 ARG 56 HH21 ARG 56 -11.218 11.280 13.947 502 HH22 ARG 56 HH22 ARG 56 -10.108 10.899 15.177 503 H SER 57 HN SER 57 -11.410 6.297 7.115 504 HA SER 57 HA SER 57 -13.685 6.594 8.819 505 HB2 SER 57 HB2 SER 57 -14.846 6.193 6.573 506 HB3 SER 57 HB1 SER 57 -13.851 7.645 6.745 507 HG SER 57 HG SER 57 -12.828 6.941 5.095 508 H SER 58 HN SER 58 -12.722 4.075 6.503 509 HA SER 58 HA SER 58 -14.307 2.148 8.049 510 HB2 SER 58 HB2 SER 58 -13.287 1.944 5.210 511 HB3 SER 58 HB1 SER 58 -14.422 0.851 6.007 512 HG SER 58 HG SER 58 -14.974 3.594 5.875 513 H GLY 59 HN GLY 59 -13.384 -0.075 8.209 514 HA2 GLY 59 HA2 GLY 59 -10.665 0.080 9.109 515 HA3 GLY 59 HA1 GLY 59 -11.742 -1.305 9.214 516 H TYR 60 HN TYR 60 -10.114 0.601 6.766 517 HA TYR 60 HA TYR 60 -9.421 -1.905 5.441 518 HB2 TYR 60 HB2 TYR 60 -10.186 0.737 4.282 519 HB3 TYR 60 HB1 TYR 60 -9.068 -0.292 3.390 520 HD1 TYR 60 HD1 TYR 60 -12.492 -0.164 4.843 521 HD2 TYR 60 HD2 TYR 60 -9.809 -2.173 2.232 522 HE1 TYR 60 HE1 TYR 60 -14.359 -1.504 3.954 523 HE2 TYR 60 HE2 TYR 60 -11.654 -3.507 1.341 524 HH TYR 60 HH TYR 60 -14.865 -2.761 1.901 525 H ARG 61 HN ARG 61 -7.377 -2.263 4.817 526 HA ARG 61 HA ARG 61 -5.376 -0.350 5.710 527 HB2 ARG 61 HB2 ARG 61 -5.501 -3.326 6.179 528 HB3 ARG 61 HB1 ARG 61 -4.102 -2.318 6.532 529 HG2 ARG 61 HG2 ARG 61 -5.267 -1.117 8.206 530 HG3 ARG 61 HG1 ARG 61 -6.812 -1.799 7.710 531 HD2 ARG 61 HD2 ARG 61 -6.140 -3.967 8.460 532 HD3 ARG 61 HD1 ARG 61 -4.522 -3.371 8.834 533 HE ARG 61 HE ARG 61 -6.151 -1.751 10.280 534 HH11 ARG 61 HH11 ARG 61 -6.004 -5.317 10.166 535 HH12 ARG 61 HH12 ARG 61 -6.373 -5.486 11.816 536 HH21 ARG 61 HH21 ARG 61 -6.702 -2.031 12.469 537 HH22 ARG 61 HH22 ARG 61 -6.823 -3.598 13.145 538 H LEU 62 HN LEU 62 -3.686 -0.172 4.401 539 HA LEU 62 HA LEU 62 -3.612 -1.844 1.986 540 HB2 LEU 62 HB2 LEU 62 -4.514 0.495 1.638 541 HB3 LEU 62 HB1 LEU 62 -2.998 1.115 2.224 542 HG LEU 62 HG LEU 62 -3.140 -0.574 -0.280 543 HD11 LEU 62 HD11 LEU 62 -3.364 2.421 -0.014 544 HD12 LEU 62 HD12 LEU 62 -4.632 1.329 -0.583 545 HD13 LEU 62 HD13 LEU 62 -3.152 1.534 -1.522 546 HD21 LEU 62 HD21 LEU 62 -0.931 -0.259 0.702 547 HD22 LEU 62 HD22 LEU 62 -1.212 1.483 0.737 548 HD23 LEU 62 HD23 LEU 62 -1.080 0.646 -0.813 549 H VAL 63 HN VAL 63 -1.580 -2.645 1.455 550 HA VAL 63 HA VAL 63 0.645 -1.747 3.128 551 HB VAL 63 HB VAL 63 -0.067 -4.609 2.405 552 HG11 VAL 63 HG11 VAL 63 2.443 -3.546 3.707 553 HG12 VAL 63 HG12 VAL 63 2.337 -4.333 2.136 554 HG13 VAL 63 HG13 VAL 63 2.002 -5.251 3.607 555 HG21 VAL 63 HG21 VAL 63 0.276 -3.204 5.049 556 HG22 VAL 63 HG22 VAL 63 -0.031 -4.926 4.842 557 HG23 VAL 63 HG23 VAL 63 -1.245 -3.746 4.337 558 H TYR 64 HN TYR 64 2.401 -1.204 2.092 559 HA TYR 64 HA TYR 64 2.825 -2.136 -0.640 560 HB2 TYR 64 HB2 TYR 64 3.437 0.196 -1.336 561 HB3 TYR 64 HB1 TYR 64 1.743 -0.001 -0.938 562 HD1 TYR 64 HD1 TYR 64 4.954 1.200 0.564 563 HD2 TYR 64 HD2 TYR 64 0.736 1.414 0.499 564 HE1 TYR 64 HE1 TYR 64 5.035 3.093 2.118 565 HE2 TYR 64 HE2 TYR 64 0.790 3.288 2.032 566 HH TYR 64 HH TYR 64 2.269 4.159 3.742 567 H GLN 65 HN GLN 65 5.009 -1.891 -1.323 568 HA GLN 65 HA GLN 65 6.862 -1.559 0.910 569 HB2 GLN 65 HB2 GLN 65 8.513 -2.812 -0.413 570 HB3 GLN 65 HB1 GLN 65 7.098 -3.783 -0.064 571 HG2 GLN 65 HG2 GLN 65 6.292 -3.485 -2.330 572 HG3 GLN 65 HG1 GLN 65 7.616 -2.376 -2.677 573 HE21 GLN 65 HE21 GLN 65 9.638 -3.945 -1.291 574 HE22 GLN 65 HE22 GLN 65 9.909 -5.333 -2.270 575 H VAL 66 HN VAL 66 8.300 0.031 0.803 576 HA VAL 66 HA VAL 66 8.108 1.712 -1.545 577 HB VAL 66 HB VAL 66 9.569 2.172 1.080 578 HG11 VAL 66 HG11 VAL 66 10.661 3.339 -0.756 579 HG12 VAL 66 HG12 VAL 66 9.827 4.494 0.288 580 HG13 VAL 66 HG13 VAL 66 9.118 4.032 -1.259 581 HG21 VAL 66 HG21 VAL 66 7.821 3.798 1.543 582 HG22 VAL 66 HG22 VAL 66 7.136 2.193 1.294 583 HG23 VAL 66 HG23 VAL 66 7.027 3.401 0.019 584 H ILE 67 HN ILE 67 9.349 1.199 -3.134 585 HA ILE 67 HA ILE 67 11.805 -0.228 -2.591 586 HB ILE 67 HB ILE 67 10.570 0.530 -5.265 587 HG12 ILE 67 HG12 ILE 67 10.404 -2.118 -3.799 588 HG13 ILE 67 HG11 ILE 67 9.083 -0.965 -3.944 589 HG21 ILE 67 HG21 ILE 67 12.717 -1.479 -4.552 590 HG22 ILE 67 HG22 ILE 67 12.973 0.063 -5.358 591 HG23 ILE 67 HG23 ILE 67 12.061 -1.213 -6.167 592 HD11 ILE 67 HD11 ILE 67 8.857 -2.809 -5.527 593 HD12 ILE 67 HD12 ILE 67 10.423 -2.386 -6.236 594 HD13 ILE 67 HD13 ILE 67 9.072 -1.267 -6.357 595 H ASP 68 HN ASP 68 13.096 1.291 -1.784 596 HA ASP 68 HA ASP 68 13.257 3.941 -2.789 597 HB2 ASP 68 HB2 ASP 68 14.671 2.396 -0.713 598 HB3 ASP 68 HB1 ASP 68 15.631 3.649 -1.491 599 H GLU 69 HN GLU 69 14.654 0.997 -3.648 600 HA GLU 69 HA GLU 69 16.992 1.817 -4.971 601 HB2 GLU 69 HB2 GLU 69 15.244 -0.421 -5.950 602 HB3 GLU 69 HB1 GLU 69 16.986 -0.289 -6.054 603 HG2 GLU 69 HG2 GLU 69 15.305 -0.934 -3.652 604 HG3 GLU 69 HG1 GLU 69 16.481 -1.955 -4.458 605 H LYS 70 HN LYS 70 13.636 1.599 -6.031 606 HA LYS 70 HA LYS 70 14.411 2.626 -8.673 607 HB2 LYS 70 HB2 LYS 70 11.962 1.082 -7.840 608 HB3 LYS 70 HB1 LYS 70 12.185 1.766 -9.451 609 HG2 LYS 70 HG2 LYS 70 14.157 0.323 -9.733 610 HG3 LYS 70 HG1 LYS 70 13.872 -0.344 -8.124 611 HD2 LYS 70 HD2 LYS 70 11.686 -1.176 -8.851 612 HD3 LYS 70 HD1 LYS 70 11.959 -0.490 -10.453 613 HE2 LYS 70 HE2 LYS 70 13.621 -2.652 -9.150 614 HE3 LYS 70 HE1 LYS 70 12.414 -2.897 -10.408 615 HZ1 LYS 70 HZ1 LYS 70 13.757 -1.537 -11.897 616 HZ2 LYS 70 HZ2 LYS 70 14.614 -2.856 -11.350 617 HZ3 LYS 70 HZ3 LYS 70 14.942 -1.343 -10.716 618 H VAL 71 HN VAL 71 13.273 3.654 -5.821 619 HA VAL 71 HA VAL 71 12.246 5.499 -5.025 620 HB VAL 71 HB VAL 71 12.427 6.635 -7.858 621 HG11 VAL 71 HG11 VAL 71 11.116 8.018 -6.364 622 HG12 VAL 71 HG12 VAL 71 12.638 8.820 -6.750 623 HG13 VAL 71 HG13 VAL 71 12.425 8.033 -5.183 624 HG21 VAL 71 HG21 VAL 71 14.621 5.781 -7.246 625 HG22 VAL 71 HG22 VAL 71 14.563 6.662 -5.722 626 HG23 VAL 71 HG23 VAL 71 14.641 7.546 -7.248 627 H VAL 72 HN VAL 72 10.629 3.394 -5.635 628 HA VAL 72 HA VAL 72 8.167 4.725 -6.458 629 HB VAL 72 HB VAL 72 8.963 3.461 -8.426 630 HG11 VAL 72 HG11 VAL 72 9.136 1.053 -8.430 631 HG12 VAL 72 HG12 VAL 72 8.756 1.015 -6.709 632 HG13 VAL 72 HG13 VAL 72 10.252 1.775 -7.263 633 HG21 VAL 72 HG21 VAL 72 6.949 2.106 -8.858 634 HG22 VAL 72 HG22 VAL 72 6.540 3.651 -8.113 635 HG23 VAL 72 HG23 VAL 72 6.543 2.180 -7.146 636 H VAL 73 HN VAL 73 6.459 4.199 -5.301 637 HA VAL 73 HA VAL 73 6.743 2.365 -3.080 638 HB VAL 73 HB VAL 73 4.636 4.434 -3.789 639 HG11 VAL 73 HG11 VAL 73 3.769 4.091 -1.523 640 HG12 VAL 73 HG12 VAL 73 4.939 2.798 -1.275 641 HG13 VAL 73 HG13 VAL 73 3.669 2.618 -2.486 642 HG21 VAL 73 HG21 VAL 73 5.550 5.705 -1.874 643 HG22 VAL 73 HG22 VAL 73 6.711 5.482 -3.181 644 HG23 VAL 73 HG23 VAL 73 6.833 4.500 -1.726 645 H PHE 74 HN PHE 74 6.022 0.373 -3.430 646 HA PHE 74 HA PHE 74 4.214 -0.084 -5.689 647 HB2 PHE 74 HB2 PHE 74 6.498 -0.965 -5.933 648 HB3 PHE 74 HB1 PHE 74 6.302 -1.879 -4.450 649 HD1 PHE 74 HD1 PHE 74 4.870 -1.480 -7.849 650 HD2 PHE 74 HD2 PHE 74 5.556 -4.071 -4.544 651 HE1 PHE 74 HE1 PHE 74 4.075 -3.380 -9.177 652 HE2 PHE 74 HE2 PHE 74 4.761 -5.980 -5.868 653 HZ PHE 74 HZ PHE 74 4.020 -5.635 -8.194 654 H VAL 75 HN VAL 75 2.240 -0.462 -5.014 655 HA VAL 75 HA VAL 75 1.639 -1.407 -2.363 656 HB VAL 75 HB VAL 75 -0.239 -1.060 -4.729 657 HG11 VAL 75 HG11 VAL 75 -2.034 -0.985 -3.041 658 HG12 VAL 75 HG12 VAL 75 -0.851 -1.334 -1.781 659 HG13 VAL 75 HG13 VAL 75 -1.182 -2.527 -3.029 660 HG21 VAL 75 HG21 VAL 75 0.844 1.042 -4.156 661 HG22 VAL 75 HG22 VAL 75 0.393 0.841 -2.466 662 HG23 VAL 75 HG23 VAL 75 -0.856 1.084 -3.688 663 H ILE 76 HN ILE 76 1.519 -3.413 -1.728 664 HA ILE 76 HA ILE 76 1.841 -5.521 -3.731 665 HB ILE 76 HB ILE 76 2.019 -5.734 -0.711 666 HG12 ILE 76 HG12 ILE 76 4.286 -5.420 -2.696 667 HG13 ILE 76 HG11 ILE 76 3.679 -4.126 -1.672 668 HG21 ILE 76 HG21 ILE 76 3.282 -7.795 -1.197 669 HG22 ILE 76 HG22 ILE 76 2.992 -7.563 -2.920 670 HG23 ILE 76 HG23 ILE 76 1.639 -7.872 -1.832 671 HD11 ILE 76 HD11 ILE 76 4.908 -6.696 -0.701 672 HD12 ILE 76 HD12 ILE 76 4.351 -5.356 0.309 673 HD13 ILE 76 HD13 ILE 76 5.717 -5.132 -0.787 674 H SER 77 HN SER 77 -0.257 -4.569 -1.009 675 HA SER 77 HA SER 77 -2.417 -6.057 -2.144 676 HB2 SER 77 HB2 SER 77 -1.184 -7.757 -0.757 677 HB3 SER 77 HB1 SER 77 -1.431 -6.730 0.652 678 HG SER 77 HG SER 77 -3.341 -8.040 -0.939 679 H VAL 78 HN VAL 78 -4.408 -5.460 -1.134 680 HA VAL 78 HA VAL 78 -4.391 -3.332 0.792 681 HB VAL 78 HB VAL 78 -4.133 -2.127 -1.362 682 HG11 VAL 78 HG11 VAL 78 -5.047 -3.744 -2.887 683 HG12 VAL 78 HG12 VAL 78 -5.866 -2.196 -3.088 684 HG13 VAL 78 HG13 VAL 78 -6.661 -3.510 -2.219 685 HG21 VAL 78 HG21 VAL 78 -6.080 -0.654 -1.236 686 HG22 VAL 78 HG22 VAL 78 -5.456 -1.050 0.365 687 HG23 VAL 78 HG23 VAL 78 -6.916 -1.840 -0.231 688 H GLY 79 HN GLY 79 -6.354 -3.352 1.971 689 HA2 GLY 79 HA2 GLY 79 -8.825 -3.929 1.235 690 HA3 GLY 79 HA1 GLY 79 -8.113 -5.535 1.280 691 H LYS 80 HN LYS 80 -9.120 -6.358 2.968 692 HA LYS 80 HA LYS 80 -8.931 -4.900 5.481 693 HB2 LYS 80 HB2 LYS 80 -10.840 -7.040 4.587 694 HB3 LYS 80 HB1 LYS 80 -10.758 -6.458 6.242 695 HG2 LYS 80 HG2 LYS 80 -11.357 -4.216 5.501 696 HG3 LYS 80 HG1 LYS 80 -11.373 -4.759 3.827 697 HD2 LYS 80 HD2 LYS 80 -13.178 -5.828 5.997 698 HD3 LYS 80 HD1 LYS 80 -13.637 -4.575 4.847 699 HE2 LYS 80 HE2 LYS 80 -12.779 -7.374 4.143 700 HE3 LYS 80 HE1 LYS 80 -14.448 -6.808 4.214 701 HZ1 LYS 80 HZ1 LYS 80 -13.617 -6.820 1.935 702 HZ2 LYS 80 HZ2 LYS 80 -12.342 -5.843 2.353 703 HZ3 LYS 80 HZ3 LYS 80 -13.918 -5.236 2.415 704 H ALA 81 HN ALA 81 -6.980 -5.446 6.037 705 HA ALA 81 HA ALA 81 -6.113 -8.216 6.132 706 HB1 ALA 81 HB1 ALA 81 -4.594 -6.493 5.342 707 HB2 ALA 81 HB2 ALA 81 -4.002 -7.252 6.824 708 HB3 ALA 81 HB3 ALA 81 -4.742 -5.653 6.884 709 H GLU 82 HN GLU 82 -6.768 -9.320 7.926 710 HA GLU 82 HA GLU 82 -7.563 -7.962 10.278 711 HB2 GLU 82 HB2 GLU 82 -7.983 -10.114 11.273 712 HB3 GLU 82 HB1 GLU 82 -8.492 -10.200 9.604 713 HG2 GLU 82 HG2 GLU 82 -5.967 -11.341 10.770 714 HG3 GLU 82 HG1 GLU 82 -7.407 -12.256 10.334 715 H ALA 83 HN ALA 83 -4.703 -9.829 9.459 716 HA ALA 83 HA ALA 83 -2.963 -8.178 10.971 717 HB1 ALA 83 HB1 ALA 83 -2.257 -9.763 12.660 718 HB2 ALA 83 HB2 ALA 83 -3.468 -10.923 12.115 719 HB3 ALA 83 HB3 ALA 83 -3.973 -9.399 12.850 720 H SER 84 HN SER 84 -3.394 -11.489 9.683 721 HA SER 84 HA SER 84 -0.533 -11.477 9.034 722 HB2 SER 84 HB2 SER 84 -2.396 -13.832 9.305 723 HB3 SER 84 HB1 SER 84 -0.653 -13.908 9.071 724 HG SER 84 HG SER 84 -2.116 -13.513 11.303 725 H GLU 85 HN GLU 85 -3.612 -11.325 7.508 726 HA GLU 85 HA GLU 85 -3.324 -12.911 5.247 727 HB2 GLU 85 HB2 GLU 85 -5.369 -11.678 6.039 728 HB3 GLU 85 HB1 GLU 85 -4.683 -10.221 5.340 729 HG2 GLU 85 HG2 GLU 85 -6.209 -11.021 3.757 730 HG3 GLU 85 HG1 GLU 85 -4.620 -11.476 3.145 731 H VAL 86 HN VAL 86 -2.557 -9.458 5.567 732 HA VAL 86 HA VAL 86 -1.541 -9.335 2.895 733 HB VAL 86 HB VAL 86 -0.840 -6.993 3.449 734 HG11 VAL 86 HG11 VAL 86 -3.683 -7.780 4.025 735 HG12 VAL 86 HG12 VAL 86 -2.983 -7.429 2.447 736 HG13 VAL 86 HG13 VAL 86 -3.137 -6.147 3.646 737 HG21 VAL 86 HG21 VAL 86 -1.678 -6.049 5.592 738 HG22 VAL 86 HG22 VAL 86 -0.399 -7.240 5.819 739 HG23 VAL 86 HG23 VAL 86 -2.078 -7.684 6.118 740 H TYR 87 HN TYR 87 -0.101 -9.767 6.012 741 HA TYR 87 HA TYR 87 2.562 -9.255 5.253 742 HB2 TYR 87 HB2 TYR 87 1.304 -10.797 7.488 743 HB3 TYR 87 HB1 TYR 87 3.022 -10.988 7.182 744 HD1 TYR 87 HD2 TYR 87 0.454 -8.337 7.830 745 HD2 TYR 87 HD1 TYR 87 4.523 -9.527 8.141 746 HE1 TYR 87 HE2 TYR 87 0.942 -6.332 9.183 747 HE2 TYR 87 HE1 TYR 87 5.019 -7.542 9.489 748 HH TYR 87 HH TYR 87 2.570 -5.660 10.835 749 H SER 88 HN SER 88 0.571 -12.138 5.166 750 HA SER 88 HA SER 88 2.623 -13.864 4.308 751 HB2 SER 88 HB2 SER 88 -0.361 -14.099 4.008 752 HB3 SER 88 HB1 SER 88 0.806 -15.423 3.855 753 HG SER 88 HG SER 88 0.010 -13.978 6.135 754 H GLU 89 HN GLU 89 0.151 -12.032 2.544 755 HA GLU 89 HA GLU 89 0.772 -12.952 -0.030 756 HB2 GLU 89 HB2 GLU 89 -0.327 -10.303 0.905 757 HB3 GLU 89 HB1 GLU 89 -0.165 -10.728 -0.788 758 HG2 GLU 89 HG2 GLU 89 -1.814 -12.243 1.217 759 HG3 GLU 89 HG1 GLU 89 -2.438 -11.038 0.089 760 H ALA 90 HN ALA 90 2.184 -10.429 1.921 761 HA ALA 90 HA ALA 90 3.812 -9.495 -0.228 762 HB1 ALA 90 HB1 ALA 90 2.990 -7.972 1.492 763 HB2 ALA 90 HB2 ALA 90 4.752 -7.957 1.393 764 HB3 ALA 90 HB3 ALA 90 3.946 -8.827 2.699 765 H VAL 91 HN VAL 91 4.538 -11.234 2.821 766 HA VAL 91 HA VAL 91 7.318 -11.210 2.284 767 HB VAL 91 HB VAL 91 6.306 -11.425 4.584 768 HG11 VAL 91 HG11 VAL 91 5.970 -14.313 3.842 769 HG12 VAL 91 HG12 VAL 91 4.698 -13.157 4.238 770 HG13 VAL 91 HG13 VAL 91 5.855 -13.658 5.475 771 HG21 VAL 91 HG21 VAL 91 8.684 -11.684 4.278 772 HG22 VAL 91 HG22 VAL 91 8.479 -13.377 3.841 773 HG23 VAL 91 HG23 VAL 91 8.124 -12.844 5.485 774 H LYS 92 HN LYS 92 4.859 -13.560 1.457 775 HA LYS 92 HA LYS 92 6.818 -15.553 0.771 776 HB2 LYS 92 HB2 LYS 92 3.885 -15.390 0.074 777 HB3 LYS 92 HB1 LYS 92 4.922 -16.771 -0.244 778 HG2 LYS 92 HG2 LYS 92 4.201 -15.689 2.480 779 HG3 LYS 92 HG1 LYS 92 3.543 -17.142 1.731 780 HD2 LYS 92 HD2 LYS 92 5.848 -18.087 1.674 781 HD3 LYS 92 HD1 LYS 92 6.407 -16.655 2.533 782 HE2 LYS 92 HE2 LYS 92 4.354 -18.607 3.550 783 HE3 LYS 92 HE1 LYS 92 6.046 -18.566 4.039 784 HZ1 LYS 92 HZ1 LYS 92 5.650 -16.342 4.972 785 HZ2 LYS 92 HZ2 LYS 92 4.623 -17.489 5.632 786 HZ3 LYS 92 HZ3 LYS 92 4.012 -16.433 4.534 787 H ARG 93 HN ARG 93 5.285 -12.927 -0.819 788 HA ARG 93 HA ARG 93 6.043 -13.917 -3.417 789 HB2 ARG 93 HB2 ARG 93 4.550 -11.472 -2.571 790 HB3 ARG 93 HB1 ARG 93 5.006 -11.781 -4.237 791 HG2 ARG 93 HG2 ARG 93 3.750 -13.921 -4.125 792 HG3 ARG 93 HG1 ARG 93 3.201 -13.454 -2.511 793 HD2 ARG 93 HD2 ARG 93 1.563 -12.883 -4.240 794 HD3 ARG 93 HD1 ARG 93 2.180 -11.451 -3.407 795 HE ARG 93 HE ARG 93 3.583 -12.177 -5.811 796 HH11 ARG 93 HH11 ARG 93 0.988 -10.193 -4.439 797 HH12 ARG 93 HH12 ARG 93 0.954 -9.136 -5.794 798 HH21 ARG 93 HH21 ARG 93 3.592 -10.609 -7.549 799 HH22 ARG 93 HH22 ARG 93 2.478 -9.317 -7.489 800 H ILE 94 HN ILE 94 7.081 -11.416 -1.183 801 HA ILE 94 HA ILE 94 8.966 -10.425 -3.082 802 HB ILE 94 HB ILE 94 8.483 -9.783 -0.163 803 HG12 ILE 94 HG12 ILE 94 8.307 -7.447 -1.018 804 HG13 ILE 94 HG11 ILE 94 8.634 -8.034 -2.636 805 HG21 ILE 94 HG21 ILE 94 10.905 -8.852 -1.705 806 HG22 ILE 94 HG22 ILE 94 10.903 -9.916 -0.301 807 HG23 ILE 94 HG23 ILE 94 10.392 -8.234 -0.131 808 HD11 ILE 94 HD11 ILE 94 6.235 -8.686 -0.944 809 HD12 ILE 94 HD12 ILE 94 6.542 -9.309 -2.568 810 HD13 ILE 94 HD13 ILE 94 6.283 -7.581 -2.319 811 H LEU 95 HN LEU 95 10.672 -11.372 -3.672 812 HA LEU 95 HA LEU 95 12.012 -13.199 -1.844 813 HB2 LEU 95 HB2 LEU 95 10.639 -14.309 -3.649 814 HB3 LEU 95 HB1 LEU 95 11.653 -13.508 -4.829 815 HG LEU 95 HG LEU 95 13.608 -14.741 -3.917 816 HD11 LEU 95 HD11 LEU 95 12.791 -15.131 -1.666 817 HD12 LEU 95 HD12 LEU 95 13.166 -16.665 -2.449 818 HD13 LEU 95 HD13 LEU 95 11.494 -16.144 -2.296 819 HD21 LEU 95 HD21 LEU 95 12.391 -15.559 -5.879 820 HD22 LEU 95 HD22 LEU 95 11.291 -16.447 -4.829 821 HD23 LEU 95 HD23 LEU 95 12.993 -16.895 -4.899 Start of MODEL 15 1 H MET 1 H MET 1 11.691 13.640 -0.565 2 HA MET 1 HA MET 1 11.288 14.890 -3.207 3 HB2 MET 1 HB2 MET 1 13.455 13.704 -3.028 4 HB3 MET 1 HB1 MET 1 12.613 12.277 -2.434 5 HG2 MET 1 HG2 MET 1 11.472 12.069 -4.596 6 HG3 MET 1 HG1 MET 1 12.332 13.491 -5.179 7 HE1 MET 1 HE1 MET 1 13.805 10.577 -2.903 8 HE2 MET 1 HE2 MET 1 14.353 9.463 -4.158 9 HE3 MET 1 HE3 MET 1 12.635 9.803 -3.966 10 H ALA 2 HN ALA 2 9.682 13.920 -4.435 11 HA ALA 2 HA ALA 2 7.794 12.293 -2.909 12 HB1 ALA 2 HB1 ALA 2 6.884 14.350 -3.914 13 HB2 ALA 2 HB2 ALA 2 6.157 12.906 -4.625 14 HB3 ALA 2 HB3 ALA 2 7.400 13.791 -5.508 15 H TYR 3 HN TYR 3 7.485 10.290 -3.394 16 HA TYR 3 HA TYR 3 9.089 9.078 -5.500 17 HB2 TYR 3 HB2 TYR 3 7.500 7.855 -3.220 18 HB3 TYR 3 HB1 TYR 3 8.431 6.929 -4.386 19 HD1 TYR 3 HD1 TYR 3 9.015 9.875 -2.120 20 HD2 TYR 3 HD2 TYR 3 10.491 6.172 -3.604 21 HE1 TYR 3 HE1 TYR 3 10.966 10.084 -0.659 22 HE2 TYR 3 HE2 TYR 3 12.466 6.381 -2.135 23 HH TYR 3 HH TYR 3 13.714 8.093 -0.944 24 H PHE 4 HN PHE 4 7.961 7.122 -6.571 25 HA PHE 4 HA PHE 4 5.449 8.076 -7.724 26 HB2 PHE 4 HB2 PHE 4 7.439 5.985 -8.603 27 HB3 PHE 4 HB1 PHE 4 5.942 6.280 -9.473 28 HD1 PHE 4 HD1 PHE 4 5.585 8.535 -10.514 29 HD2 PHE 4 HD2 PHE 4 9.326 7.362 -8.861 30 HE1 PHE 4 HE1 PHE 4 6.692 10.353 -11.741 31 HE2 PHE 4 HE2 PHE 4 10.440 9.179 -10.085 32 HZ PHE 4 HZ PHE 4 9.117 10.681 -11.525 33 H LEU 5 HN LEU 5 3.754 6.333 -8.191 34 HA LEU 5 HA LEU 5 3.730 4.361 -6.008 35 HB2 LEU 5 HB2 LEU 5 2.299 6.504 -5.707 36 HB3 LEU 5 HB1 LEU 5 1.309 5.882 -6.995 37 HG LEU 5 HG LEU 5 0.299 5.520 -4.794 38 HD11 LEU 5 HD11 LEU 5 1.108 2.967 -6.119 39 HD12 LEU 5 HD12 LEU 5 -0.347 3.927 -6.435 40 HD13 LEU 5 HD13 LEU 5 -0.125 3.114 -4.878 41 HD21 LEU 5 HD21 LEU 5 1.259 3.918 -3.217 42 HD22 LEU 5 HD22 LEU 5 2.268 5.346 -3.424 43 HD23 LEU 5 HD23 LEU 5 2.709 3.826 -4.210 44 H ASP 6 HN ASP 6 3.136 2.310 -6.685 45 HA ASP 6 HA ASP 6 1.572 2.056 -9.124 46 HB2 ASP 6 HB2 ASP 6 3.969 1.684 -9.824 47 HB3 ASP 6 HB1 ASP 6 4.024 0.403 -8.608 48 H PHE 7 HN PHE 7 0.527 0.009 -9.278 49 HA PHE 7 HA PHE 7 0.020 -1.166 -6.618 50 HB2 PHE 7 HB2 PHE 7 -1.898 -0.910 -8.935 51 HB3 PHE 7 HB1 PHE 7 -2.252 -1.683 -7.403 52 HD1 PHE 7 HD1 PHE 7 -2.505 -0.317 -5.374 53 HD2 PHE 7 HD2 PHE 7 -1.957 1.426 -9.203 54 HE1 PHE 7 HE1 PHE 7 -3.347 1.828 -4.514 55 HE2 PHE 7 HE2 PHE 7 -2.795 3.582 -8.356 56 HZ PHE 7 HZ PHE 7 -3.492 3.780 -6.004 57 H ASP 8 HN ASP 8 0.431 -3.235 -6.412 58 HA ASP 8 HA ASP 8 1.377 -4.882 -8.488 59 HB2 ASP 8 HB2 ASP 8 2.086 -5.245 -6.194 60 HB3 ASP 8 HB1 ASP 8 0.427 -5.581 -5.705 61 H GLU 9 HN GLU 9 0.471 -6.860 -9.180 62 HA GLU 9 HA GLU 9 -2.064 -6.767 -10.293 63 HB2 GLU 9 HB2 GLU 9 -1.745 -9.241 -10.602 64 HB3 GLU 9 HB1 GLU 9 -0.411 -8.248 -11.181 65 HG2 GLU 9 HG2 GLU 9 0.879 -8.771 -9.200 66 HG3 GLU 9 HG1 GLU 9 -0.476 -9.673 -8.532 67 H ARG 10 HN ARG 10 -1.034 -8.193 -7.132 68 HA ARG 10 HA ARG 10 -3.606 -9.316 -6.634 69 HB2 ARG 10 HB2 ARG 10 -1.369 -8.704 -4.701 70 HB3 ARG 10 HB1 ARG 10 -2.826 -9.599 -4.293 71 HG2 ARG 10 HG2 ARG 10 -2.187 -11.295 -5.981 72 HG3 ARG 10 HG1 ARG 10 -0.677 -10.416 -6.232 73 HD2 ARG 10 HD2 ARG 10 -0.144 -10.705 -3.847 74 HD3 ARG 10 HD1 ARG 10 -1.634 -11.630 -3.641 75 HE ARG 10 HE ARG 10 0.277 -12.526 -5.628 76 HH11 ARG 10 HH11 ARG 10 -1.385 -13.141 -2.552 77 HH12 ARG 10 HH12 ARG 10 -0.654 -14.642 -2.292 78 HH21 ARG 10 HH21 ARG 10 1.224 -14.649 -5.309 79 HH22 ARG 10 HH22 ARG 10 0.850 -15.527 -3.903 80 H ALA 11 HN ALA 11 -1.938 -6.414 -5.719 81 HA ALA 11 HA ALA 11 -3.869 -5.351 -3.985 82 HB1 ALA 11 HB1 ALA 11 -1.579 -4.492 -4.104 83 HB2 ALA 11 HB2 ALA 11 -2.761 -3.203 -4.342 84 HB3 ALA 11 HB3 ALA 11 -1.896 -3.874 -5.723 85 H LEU 12 HN LEU 12 -3.530 -5.270 -7.473 86 HA LEU 12 HA LEU 12 -5.470 -3.289 -7.950 87 HB2 LEU 12 HB2 LEU 12 -4.254 -5.419 -9.646 88 HB3 LEU 12 HB1 LEU 12 -5.544 -4.411 -10.253 89 HG LEU 12 HG LEU 12 -2.883 -3.374 -9.251 90 HD11 LEU 12 HD11 LEU 12 -2.405 -2.978 -11.612 91 HD12 LEU 12 HD12 LEU 12 -3.926 -3.759 -12.050 92 HD13 LEU 12 HD13 LEU 12 -2.642 -4.694 -11.284 93 HD21 LEU 12 HD21 LEU 12 -5.166 -2.033 -10.699 94 HD22 LEU 12 HD22 LEU 12 -3.608 -1.293 -10.345 95 HD23 LEU 12 HD23 LEU 12 -4.686 -1.738 -9.025 96 H LYS 13 HN LYS 13 -5.641 -6.760 -7.649 97 HA LYS 13 HA LYS 13 -8.271 -7.123 -8.597 98 HB2 LYS 13 HB2 LYS 13 -6.821 -8.594 -6.394 99 HB3 LYS 13 HB1 LYS 13 -8.264 -9.146 -7.218 100 HG2 LYS 13 HG2 LYS 13 -7.102 -9.562 -9.201 101 HG3 LYS 13 HG1 LYS 13 -5.702 -8.622 -8.671 102 HD2 LYS 13 HD2 LYS 13 -5.264 -10.201 -6.915 103 HD3 LYS 13 HD1 LYS 13 -6.674 -11.156 -7.360 104 HE2 LYS 13 HE2 LYS 13 -4.344 -10.622 -9.201 105 HE3 LYS 13 HE1 LYS 13 -4.470 -12.053 -8.183 106 HZ1 LYS 13 HZ1 LYS 13 -6.453 -11.308 -10.286 107 HZ2 LYS 13 HZ2 LYS 13 -6.432 -12.711 -9.352 108 HZ3 LYS 13 HZ3 LYS 13 -5.212 -12.435 -10.460 109 H GLU 14 HN GLU 14 -6.948 -6.577 -5.341 110 HA GLU 14 HA GLU 14 -9.445 -6.484 -4.082 111 HB2 GLU 14 HB2 GLU 14 -6.800 -5.435 -3.128 112 HB3 GLU 14 HB1 GLU 14 -8.210 -5.757 -2.126 113 HG2 GLU 14 HG2 GLU 14 -6.600 -7.766 -3.672 114 HG3 GLU 14 HG1 GLU 14 -6.595 -7.545 -1.931 115 H TRP 15 HN TRP 15 -7.318 -3.998 -5.330 116 HA TRP 15 HA TRP 15 -8.576 -1.703 -4.330 117 HB2 TRP 15 HB2 TRP 15 -6.352 -1.773 -5.417 118 HB3 TRP 15 HB1 TRP 15 -7.120 -2.113 -6.955 119 HD1 TRP 15 HD1 TRP 15 -8.096 -0.049 -8.292 120 HE1 TRP 15 HE1 TRP 15 -7.852 2.486 -7.997 121 HE3 TRP 15 HE3 TRP 15 -6.178 0.019 -3.562 122 HZ2 TRP 15 HZ2 TRP 15 -6.944 4.290 -6.015 123 HZ3 TRP 15 HZ3 TRP 15 -5.640 2.187 -2.539 124 HH2 TRP 15 HH2 TRP 15 -6.014 4.274 -3.737 125 H ARG 16 HN ARG 16 -9.125 -3.517 -7.292 126 HA ARG 16 HA ARG 16 -11.269 -1.839 -8.194 127 HB2 ARG 16 HB2 ARG 16 -10.379 -4.573 -9.111 128 HB3 ARG 16 HB1 ARG 16 -11.572 -3.575 -9.941 129 HG2 ARG 16 HG2 ARG 16 -9.933 -1.886 -10.398 130 HG3 ARG 16 HG1 ARG 16 -8.735 -2.719 -9.407 131 HD2 ARG 16 HD2 ARG 16 -8.816 -4.617 -10.964 132 HD3 ARG 16 HD1 ARG 16 -9.972 -3.722 -11.950 133 HE ARG 16 HE ARG 16 -7.825 -2.055 -11.693 134 HH11 ARG 16 HH11 ARG 16 -8.249 -5.335 -12.925 135 HH12 ARG 16 HH12 ARG 16 -7.013 -5.208 -14.083 136 HH21 ARG 16 HH21 ARG 16 -6.154 -1.869 -13.295 137 HH22 ARG 16 HH22 ARG 16 -5.799 -3.177 -14.316 138 H LYS 17 HN LYS 17 -11.008 -4.469 -6.094 139 HA LYS 17 HA LYS 17 -13.759 -5.331 -6.081 140 HB2 LYS 17 HB2 LYS 17 -11.948 -6.843 -5.630 141 HB3 LYS 17 HB1 LYS 17 -11.314 -5.772 -4.412 142 HG2 LYS 17 HG2 LYS 17 -13.179 -6.347 -2.950 143 HG3 LYS 17 HG1 LYS 17 -13.809 -7.440 -4.198 144 HD2 LYS 17 HD2 LYS 17 -11.789 -8.734 -4.181 145 HD3 LYS 17 HD1 LYS 17 -11.018 -7.591 -3.091 146 HE2 LYS 17 HE2 LYS 17 -12.605 -8.208 -1.350 147 HE3 LYS 17 HE1 LYS 17 -13.353 -9.375 -2.450 148 HZ1 LYS 17 HZ1 LYS 17 -11.692 -10.376 -0.949 149 HZ2 LYS 17 HZ2 LYS 17 -10.492 -9.412 -1.676 150 HZ3 LYS 17 HZ3 LYS 17 -11.296 -10.570 -2.575 151 H LEU 18 HN LEU 18 -11.776 -3.010 -4.513 152 HA LEU 18 HA LEU 18 -13.422 -2.400 -2.275 153 HB2 LEU 18 HB2 LEU 18 -10.950 -1.441 -3.451 154 HB3 LEU 18 HB1 LEU 18 -11.945 -0.133 -2.862 155 HG LEU 18 HG LEU 18 -11.926 -1.088 -0.626 156 HD11 LEU 18 HD11 LEU 18 -11.787 -3.454 -1.197 157 HD12 LEU 18 HD12 LEU 18 -10.500 -2.994 -0.082 158 HD13 LEU 18 HD13 LEU 18 -10.144 -3.222 -1.799 159 HD21 LEU 18 HD21 LEU 18 -9.204 -0.837 -1.866 160 HD22 LEU 18 HD22 LEU 18 -9.575 -0.727 -0.143 161 HD23 LEU 18 HD23 LEU 18 -10.226 0.471 -1.263 162 H GLY 19 HN GLY 19 -14.543 -0.457 -1.963 163 HA2 GLY 19 HA2 GLY 19 -16.157 0.341 -4.178 164 HA3 GLY 19 HA1 GLY 19 -16.239 0.993 -2.537 165 H SER 20 HN SER 20 -16.122 2.296 -5.237 166 HA SER 20 HA SER 20 -13.645 3.318 -5.768 167 HB2 SER 20 HB2 SER 20 -15.150 5.222 -6.817 168 HB3 SER 20 HB1 SER 20 -15.089 3.600 -7.498 169 HG SER 20 HG SER 20 -17.061 4.662 -5.744 170 H THR 21 HN THR 21 -16.020 4.614 -3.554 171 HA THR 21 HA THR 21 -14.633 7.046 -3.062 172 HB THR 21 HB THR 21 -16.705 5.613 -1.366 173 HG1 THR 21 HG1 THR 21 -16.964 6.678 -3.676 174 HG21 THR 21 HG21 THR 21 -15.424 7.263 -0.035 175 HG22 THR 21 HG22 THR 21 -17.088 7.791 -0.289 176 HG23 THR 21 HG23 THR 21 -15.784 8.491 -1.248 177 H VAL 22 HN VAL 22 -14.599 3.866 -1.471 178 HA VAL 22 HA VAL 22 -12.990 4.618 0.732 179 HB VAL 22 HB VAL 22 -13.454 1.902 -0.537 180 HG11 VAL 22 HG11 VAL 22 -11.352 1.910 0.735 181 HG12 VAL 22 HG12 VAL 22 -12.584 0.953 1.557 182 HG13 VAL 22 HG13 VAL 22 -12.201 2.574 2.130 183 HG21 VAL 22 HG21 VAL 22 -14.963 1.554 1.344 184 HG22 VAL 22 HG22 VAL 22 -15.445 2.955 0.382 185 HG23 VAL 22 HG23 VAL 22 -14.622 3.183 1.923 186 H ARG 23 HN ARG 23 -12.254 3.103 -2.370 187 HA ARG 23 HA ARG 23 -9.502 3.017 -1.825 188 HB2 ARG 23 HB2 ARG 23 -9.145 2.645 -4.246 189 HB3 ARG 23 HB1 ARG 23 -10.261 1.521 -3.496 190 HG2 ARG 23 HG2 ARG 23 -12.091 2.507 -4.497 191 HG3 ARG 23 HG1 ARG 23 -11.219 3.934 -5.025 192 HD2 ARG 23 HD2 ARG 23 -9.832 2.514 -6.417 193 HD3 ARG 23 HD1 ARG 23 -10.753 1.089 -5.927 194 HE ARG 23 HE ARG 23 -11.850 3.374 -7.418 195 HH11 ARG 23 HH11 ARG 23 -11.784 -0.137 -6.761 196 HH12 ARG 23 HH12 ARG 23 -12.972 -0.502 -7.923 197 HH21 ARG 23 HH21 ARG 23 -13.464 2.821 -9.022 198 HH22 ARG 23 HH22 ARG 23 -13.956 1.209 -9.237 199 H GLU 24 HN GLU 24 -11.483 5.530 -3.292 200 HA GLU 24 HA GLU 24 -9.409 7.150 -4.187 201 HB2 GLU 24 HB2 GLU 24 -12.118 7.774 -3.154 202 HB3 GLU 24 HB1 GLU 24 -11.046 9.080 -3.591 203 HG2 GLU 24 HG2 GLU 24 -10.857 7.883 -5.852 204 HG3 GLU 24 HG1 GLU 24 -12.231 6.923 -5.305 205 H GLN 25 HN GLN 25 -10.697 6.789 -0.949 206 HA GLN 25 HA GLN 25 -9.225 8.975 0.113 207 HB2 GLN 25 HB2 GLN 25 -10.567 6.609 1.393 208 HB3 GLN 25 HB1 GLN 25 -9.818 7.917 2.311 209 HG2 GLN 25 HG2 GLN 25 -11.376 9.481 1.556 210 HG3 GLN 25 HG1 GLN 25 -11.903 8.427 0.244 211 HE21 GLN 25 HE21 GLN 25 -13.258 6.863 0.615 212 HE22 GLN 25 HE22 GLN 25 -14.196 6.660 2.060 213 H LEU 26 HN LEU 26 -8.690 5.520 -0.147 214 HA LEU 26 HA LEU 26 -6.198 5.467 1.176 215 HB2 LEU 26 HB2 LEU 26 -7.344 3.697 -0.982 216 HB3 LEU 26 HB1 LEU 26 -5.799 3.385 -0.219 217 HG LEU 26 HG LEU 26 -8.438 3.459 1.281 218 HD11 LEU 26 HD11 LEU 26 -8.386 1.631 -0.294 219 HD12 LEU 26 HD12 LEU 26 -8.247 1.068 1.371 220 HD13 LEU 26 HD13 LEU 26 -6.819 1.123 0.337 221 HD21 LEU 26 HD21 LEU 26 -7.133 2.419 3.064 222 HD22 LEU 26 HD22 LEU 26 -6.465 3.999 2.653 223 HD23 LEU 26 HD23 LEU 26 -5.677 2.533 2.081 224 H LYS 27 HN LYS 27 -7.077 5.928 -2.214 225 HA LYS 27 HA LYS 27 -4.594 6.257 -3.383 226 HB2 LYS 27 HB2 LYS 27 -6.704 6.198 -4.623 227 HB3 LYS 27 HB1 LYS 27 -7.153 7.742 -3.916 228 HG2 LYS 27 HG2 LYS 27 -5.053 8.666 -5.018 229 HG3 LYS 27 HG1 LYS 27 -5.022 7.169 -5.952 230 HD2 LYS 27 HD2 LYS 27 -6.146 8.898 -7.225 231 HD3 LYS 27 HD1 LYS 27 -7.327 7.676 -6.741 232 HE2 LYS 27 HE2 LYS 27 -8.129 9.087 -4.941 233 HE3 LYS 27 HE1 LYS 27 -6.832 10.246 -5.240 234 HZ1 LYS 27 HZ1 LYS 27 -7.843 10.752 -7.357 235 HZ2 LYS 27 HZ2 LYS 27 -8.944 10.982 -6.129 236 HZ3 LYS 27 HZ3 LYS 27 -9.065 9.619 -7.121 237 H LYS 28 HN LYS 28 -6.634 8.679 -1.757 238 HA LYS 28 HA LYS 28 -5.001 10.928 -2.145 239 HB2 LYS 28 HB2 LYS 28 -6.892 10.281 0.112 240 HB3 LYS 28 HB1 LYS 28 -6.101 11.839 -0.073 241 HG2 LYS 28 HG2 LYS 28 -7.219 12.192 -2.177 242 HG3 LYS 28 HG1 LYS 28 -7.943 10.584 -2.087 243 HD2 LYS 28 HD2 LYS 28 -9.160 11.204 -0.094 244 HD3 LYS 28 HD1 LYS 28 -8.379 12.786 -0.079 245 HE2 LYS 28 HE2 LYS 28 -9.432 13.367 -2.163 246 HE3 LYS 28 HE1 LYS 28 -10.100 11.741 -2.302 247 HZ1 LYS 28 HZ1 LYS 28 -11.464 12.123 -0.402 248 HZ2 LYS 28 HZ2 LYS 28 -11.704 13.397 -1.475 249 HZ3 LYS 28 HZ3 LYS 28 -10.762 13.626 -0.105 250 H LYS 29 HN LYS 29 -5.052 8.538 0.395 251 HA LYS 29 HA LYS 29 -3.018 9.703 1.898 252 HB2 LYS 29 HB2 LYS 29 -4.362 7.087 1.952 253 HB3 LYS 29 HB1 LYS 29 -2.748 7.135 2.646 254 HG2 LYS 29 HG2 LYS 29 -4.404 7.500 4.371 255 HG3 LYS 29 HG1 LYS 29 -3.445 8.955 4.126 256 HD2 LYS 29 HD2 LYS 29 -5.287 9.846 2.722 257 HD3 LYS 29 HD1 LYS 29 -6.244 8.424 3.151 258 HE2 LYS 29 HE2 LYS 29 -6.879 10.179 4.660 259 HE3 LYS 29 HE1 LYS 29 -5.869 8.988 5.509 260 HZ1 LYS 29 HZ1 LYS 29 -5.287 11.398 5.954 261 HZ2 LYS 29 HZ2 LYS 29 -4.666 11.450 4.369 262 HZ3 LYS 29 HZ3 LYS 29 -4.042 10.387 5.480 263 H LEU 30 HN LEU 30 -2.936 7.481 -0.731 264 HA LEU 30 HA LEU 30 -0.184 6.912 -0.575 265 HB2 LEU 30 HB2 LEU 30 -1.999 6.935 -2.974 266 HB3 LEU 30 HB1 LEU 30 -0.407 6.198 -2.906 267 HG LEU 30 HG LEU 30 -2.811 5.343 -1.304 268 HD11 LEU 30 HD11 LEU 30 -1.439 4.053 -3.634 269 HD12 LEU 30 HD12 LEU 30 -3.034 4.803 -3.649 270 HD13 LEU 30 HD13 LEU 30 -2.754 3.347 -2.697 271 HD21 LEU 30 HD21 LEU 30 -1.401 3.422 -0.682 272 HD22 LEU 30 HD22 LEU 30 -0.795 4.950 -0.055 273 HD23 LEU 30 HD23 LEU 30 -0.020 4.203 -1.454 274 H VAL 31 HN VAL 31 -2.070 9.337 -2.288 275 HA VAL 31 HA VAL 31 0.010 10.551 -3.728 276 HB VAL 31 HB VAL 31 -2.561 11.797 -2.685 277 HG11 VAL 31 HG11 VAL 31 -0.958 13.527 -3.262 278 HG12 VAL 31 HG12 VAL 31 -2.278 13.478 -4.432 279 HG13 VAL 31 HG13 VAL 31 -0.705 12.789 -4.847 280 HG21 VAL 31 HG21 VAL 31 -2.952 9.906 -4.105 281 HG22 VAL 31 HG22 VAL 31 -1.897 10.574 -5.358 282 HG23 VAL 31 HG23 VAL 31 -3.410 11.388 -4.942 283 H GLU 32 HN GLU 32 -1.309 11.320 -0.523 284 HA GLU 32 HA GLU 32 0.468 13.481 -0.083 285 HB2 GLU 32 HB2 GLU 32 -0.276 13.394 2.292 286 HB3 GLU 32 HB1 GLU 32 -1.609 13.422 1.150 287 HG2 GLU 32 HG2 GLU 32 -1.913 11.083 1.411 288 HG3 GLU 32 HG1 GLU 32 -0.550 10.976 2.522 289 H VAL 33 HN VAL 33 0.583 10.074 0.811 290 HA VAL 33 HA VAL 33 2.763 10.358 2.526 291 HB VAL 33 HB VAL 33 1.108 8.382 2.394 292 HG11 VAL 33 HG11 VAL 33 1.509 7.726 0.098 293 HG12 VAL 33 HG12 VAL 33 1.850 6.397 1.207 294 HG13 VAL 33 HG13 VAL 33 3.177 7.315 0.490 295 HG21 VAL 33 HG21 VAL 33 2.784 6.871 3.445 296 HG22 VAL 33 HG22 VAL 33 2.802 8.523 4.062 297 HG23 VAL 33 HG23 VAL 33 4.033 8.001 2.915 298 H LEU 34 HN LEU 34 2.622 10.032 -0.895 299 HA LEU 34 HA LEU 34 5.109 8.985 -1.480 300 HB2 LEU 34 HB2 LEU 34 3.533 11.045 -2.988 301 HB3 LEU 34 HB1 LEU 34 4.988 10.298 -3.608 302 HG LEU 34 HG LEU 34 2.427 8.861 -2.927 303 HD11 LEU 34 HD11 LEU 34 2.238 8.566 -5.351 304 HD12 LEU 34 HD12 LEU 34 3.672 9.582 -5.567 305 HD13 LEU 34 HD13 LEU 34 2.204 10.263 -4.876 306 HD21 LEU 34 HD21 LEU 34 3.505 6.942 -4.034 307 HD22 LEU 34 HD22 LEU 34 4.354 7.428 -2.575 308 HD23 LEU 34 HD23 LEU 34 4.997 7.871 -4.158 309 H GLU 35 HN GLU 35 4.437 12.206 -0.258 310 HA GLU 35 HA GLU 35 7.002 13.190 -1.120 311 HB2 GLU 35 HB2 GLU 35 6.504 15.203 0.172 312 HB3 GLU 35 HB1 GLU 35 5.144 14.760 -0.842 313 HG2 GLU 35 HG2 GLU 35 4.082 13.722 1.152 314 HG3 GLU 35 HG1 GLU 35 5.408 14.358 2.124 315 H SER 36 HN SER 36 5.886 11.336 1.520 316 HA SER 36 HA SER 36 8.545 11.138 2.555 317 HB2 SER 36 HB2 SER 36 7.853 11.706 4.903 318 HB3 SER 36 HB1 SER 36 7.834 13.091 3.812 319 HG SER 36 HG SER 36 5.579 11.496 4.371 320 HA PRO 37 HA PRO 37 5.824 7.379 2.905 321 HB2 PRO 37 HB2 PRO 37 7.120 5.712 1.262 322 HB3 PRO 37 HB1 PRO 37 5.991 6.921 0.638 323 HG2 PRO 37 HG2 PRO 37 8.981 7.003 0.748 324 HG3 PRO 37 HG1 PRO 37 7.898 7.480 -0.573 325 HD2 PRO 37 HD2 PRO 37 9.025 9.271 1.171 326 HD3 PRO 37 HD1 PRO 37 7.469 9.530 0.349 327 H ARG 38 HN ARG 38 8.961 8.144 3.496 328 HA ARG 38 HA ARG 38 9.682 5.605 4.702 329 HB2 ARG 38 HB2 ARG 38 11.899 6.879 5.170 330 HB3 ARG 38 HB1 ARG 38 11.512 6.395 3.532 331 HG2 ARG 38 HG2 ARG 38 12.433 8.600 3.474 332 HG3 ARG 38 HG1 ARG 38 10.725 8.727 3.093 333 HD2 ARG 38 HD2 ARG 38 10.325 9.398 5.465 334 HD3 ARG 38 HD1 ARG 38 12.072 9.386 5.704 335 HE ARG 38 HE ARG 38 11.437 10.969 3.481 336 HH11 ARG 38 HH11 ARG 38 11.313 11.094 7.037 337 HH12 ARG 38 HH12 ARG 38 11.261 12.786 7.097 338 HH21 ARG 38 HH21 ARG 38 11.414 13.297 3.587 339 HH22 ARG 38 HH22 ARG 38 11.346 14.083 5.085 340 H ILE 39 HN ILE 39 7.566 6.814 5.967 341 HA ILE 39 HA ILE 39 8.545 8.027 8.428 342 HB ILE 39 HB ILE 39 5.723 7.218 7.605 343 HG12 ILE 39 HG12 ILE 39 7.006 9.954 7.804 344 HG13 ILE 39 HG11 ILE 39 6.687 9.090 6.307 345 HG21 ILE 39 HG21 ILE 39 5.966 7.162 10.048 346 HG22 ILE 39 HG22 ILE 39 4.940 8.504 9.546 347 HG23 ILE 39 HG23 ILE 39 6.612 8.805 10.021 348 HD11 ILE 39 HD11 ILE 39 5.037 10.818 6.709 349 HD12 ILE 39 HD12 ILE 39 4.618 10.088 8.259 350 HD13 ILE 39 HD13 ILE 39 4.283 9.223 6.756 351 H GLU 40 HN GLU 40 9.422 6.737 9.926 352 HA GLU 40 HA GLU 40 9.348 3.993 9.642 353 HB2 GLU 40 HB2 GLU 40 10.605 3.857 11.768 354 HB3 GLU 40 HB1 GLU 40 11.293 4.900 10.541 355 HG2 GLU 40 HG2 GLU 40 10.466 6.853 11.731 356 HG3 GLU 40 HG1 GLU 40 9.720 5.801 12.938 357 H ALA 41 HN ALA 41 7.322 6.007 11.540 358 HA ALA 41 HA ALA 41 6.369 4.048 13.340 359 HB1 ALA 41 HB1 ALA 41 4.976 6.527 12.338 360 HB2 ALA 41 HB2 ALA 41 6.072 6.445 13.721 361 HB3 ALA 41 HB3 ALA 41 4.530 5.590 13.763 362 H ASN 42 HN ASN 42 5.869 4.401 9.998 363 HA ASN 42 HA ASN 42 3.333 2.941 10.134 364 HB2 ASN 42 HB2 ASN 42 4.633 4.462 7.884 365 HB3 ASN 42 HB1 ASN 42 3.244 3.407 7.628 366 HD21 ASN 42 HD21 ASN 42 3.577 6.227 7.215 367 HD22 ASN 42 HD22 ASN 42 2.382 7.037 8.140 368 H LYS 43 HN LYS 43 6.513 2.204 10.002 369 HA LYS 43 HA LYS 43 6.577 0.292 7.867 370 HB2 LYS 43 HB2 LYS 43 8.421 0.460 10.269 371 HB3 LYS 43 HB1 LYS 43 8.700 -0.503 8.830 372 HG2 LYS 43 HG2 LYS 43 8.850 1.556 7.522 373 HG3 LYS 43 HG1 LYS 43 8.571 2.482 8.995 374 HD2 LYS 43 HD2 LYS 43 10.896 2.529 8.918 375 HD3 LYS 43 HD1 LYS 43 10.647 1.051 9.847 376 HE2 LYS 43 HE2 LYS 43 12.222 0.406 8.244 377 HE3 LYS 43 HE1 LYS 43 10.695 -0.123 7.534 378 HZ1 LYS 43 HZ1 LYS 43 10.732 2.074 6.257 379 HZ2 LYS 43 HZ2 LYS 43 11.903 0.986 5.805 380 HZ3 LYS 43 HZ3 LYS 43 12.302 2.258 6.808 381 H LEU 44 HN LEU 44 6.414 -1.877 7.931 382 HA LEU 44 HA LEU 44 5.032 -3.065 10.189 383 HB2 LEU 44 HB2 LEU 44 5.868 -4.232 7.538 384 HB3 LEU 44 HB1 LEU 44 4.918 -5.072 8.739 385 HG LEU 44 HG LEU 44 4.071 -2.657 7.144 386 HD11 LEU 44 HD11 LEU 44 4.112 -4.716 5.865 387 HD12 LEU 44 HD12 LEU 44 2.451 -4.209 6.181 388 HD13 LEU 44 HD13 LEU 44 3.164 -5.524 7.111 389 HD21 LEU 44 HD21 LEU 44 1.890 -2.978 8.189 390 HD22 LEU 44 HD22 LEU 44 3.129 -2.566 9.377 391 HD23 LEU 44 HD23 LEU 44 2.569 -4.234 9.227 392 H ARG 45 HN ARG 45 5.820 -5.217 10.940 393 HA ARG 45 HA ARG 45 8.647 -5.070 11.557 394 HB2 ARG 45 HB2 ARG 45 6.407 -6.808 12.569 395 HB3 ARG 45 HB1 ARG 45 8.057 -6.859 13.153 396 HG2 ARG 45 HG2 ARG 45 7.876 -4.636 14.024 397 HG3 ARG 45 HG1 ARG 45 6.278 -4.439 13.300 398 HD2 ARG 45 HD2 ARG 45 6.113 -4.937 15.682 399 HD3 ARG 45 HD1 ARG 45 5.417 -6.229 14.713 400 HE ARG 45 HE ARG 45 8.163 -6.434 15.720 401 HH11 ARG 45 HH11 ARG 45 4.921 -7.832 15.428 402 HH12 ARG 45 HH12 ARG 45 5.232 -9.148 16.454 403 HH21 ARG 45 HH21 ARG 45 8.613 -8.291 17.043 404 HH22 ARG 45 HH22 ARG 45 7.403 -9.435 17.402 405 H GLY 46 HN GLY 46 10.082 -6.392 10.640 406 HA2 GLY 46 HA2 GLY 46 11.024 -8.254 9.660 407 HA3 GLY 46 HA1 GLY 46 9.520 -9.095 9.985 408 H MET 47 HN MET 47 9.449 -6.190 8.164 409 HA MET 47 HA MET 47 9.017 -7.761 5.726 410 HB2 MET 47 HB2 MET 47 7.404 -5.405 6.713 411 HB3 MET 47 HB1 MET 47 7.235 -6.121 5.120 412 HG2 MET 47 HG2 MET 47 6.709 -7.541 7.732 413 HG3 MET 47 HG1 MET 47 5.475 -6.820 6.708 414 HE1 MET 47 HE1 MET 47 4.760 -7.772 4.349 415 HE2 MET 47 HE2 MET 47 5.575 -9.105 3.537 416 HE3 MET 47 HE3 MET 47 6.413 -7.570 3.762 417 HA PRO 48 HA PRO 48 12.162 -4.967 4.317 418 HB2 PRO 48 HB2 PRO 48 11.908 -5.414 1.621 419 HB3 PRO 48 HB1 PRO 48 12.777 -6.486 2.723 420 HG2 PRO 48 HG2 PRO 48 10.012 -6.736 1.621 421 HG3 PRO 48 HG1 PRO 48 11.230 -7.996 1.890 422 HD2 PRO 48 HD2 PRO 48 9.132 -7.593 3.558 423 HD3 PRO 48 HD1 PRO 48 10.704 -8.198 4.124 424 H ASP 49 HN ASP 49 11.347 -3.018 4.844 425 HA ASP 49 HA ASP 49 10.494 -0.942 4.643 426 HB2 ASP 49 HB2 ASP 49 11.398 -1.510 1.863 427 HB3 ASP 49 HB1 ASP 49 10.432 -0.066 2.143 428 H CYS 50 HN CYS 50 8.516 -2.747 4.958 429 HA CYS 50 HA CYS 50 6.505 -1.860 3.044 430 HB2 CYS 50 HB2 CYS 50 6.352 -4.045 5.121 431 HB3 CYS 50 HB1 CYS 50 5.127 -3.673 3.914 432 HG CYS 50 HG CYS 50 8.068 -4.229 2.487 433 H TYR 51 HN TYR 51 4.750 -0.793 3.685 434 HA TYR 51 HA TYR 51 4.595 0.156 6.464 435 HB2 TYR 51 HB2 TYR 51 4.313 1.867 3.973 436 HB3 TYR 51 HB1 TYR 51 4.053 2.388 5.626 437 HD1 TYR 51 HD2 TYR 51 6.695 1.107 3.331 438 HD2 TYR 51 HD1 TYR 51 5.780 3.296 6.838 439 HE1 TYR 51 HE2 TYR 51 9.033 1.821 3.491 440 HE2 TYR 51 HE1 TYR 51 8.101 4.020 6.997 441 HH TYR 51 HH TYR 51 10.317 3.641 4.497 442 H LYS 52 HN LYS 52 2.444 0.946 6.942 443 HA LYS 52 HA LYS 52 0.442 0.157 4.978 444 HB2 LYS 52 HB2 LYS 52 -0.877 -1.101 6.468 445 HB3 LYS 52 HB1 LYS 52 0.751 -1.642 6.798 446 HG2 LYS 52 HG2 LYS 52 -0.889 0.259 8.491 447 HG3 LYS 52 HG1 LYS 52 -0.554 -1.429 8.846 448 HD2 LYS 52 HD2 LYS 52 1.852 -0.877 9.043 449 HD3 LYS 52 HD1 LYS 52 1.465 0.813 8.724 450 HE2 LYS 52 HE2 LYS 52 0.505 -0.834 11.062 451 HE3 LYS 52 HE1 LYS 52 1.728 0.431 11.105 452 HZ1 LYS 52 HZ1 LYS 52 -0.369 1.226 11.900 453 HZ2 LYS 52 HZ2 LYS 52 -1.163 0.797 10.512 454 HZ3 LYS 52 HZ3 LYS 52 0.001 2.046 10.488 455 H ILE 53 HN ILE 53 -1.272 1.463 4.857 456 HA ILE 53 HA ILE 53 -1.484 3.608 6.862 457 HB ILE 53 HB ILE 53 -2.338 3.833 3.937 458 HG12 ILE 53 HG12 ILE 53 0.023 5.124 5.337 459 HG13 ILE 53 HG11 ILE 53 0.129 3.822 4.157 460 HG21 ILE 53 HG21 ILE 53 -3.715 5.202 5.476 461 HG22 ILE 53 HG22 ILE 53 -2.709 6.242 4.486 462 HG23 ILE 53 HG23 ILE 53 -2.262 5.916 6.150 463 HD11 ILE 53 HD11 ILE 53 -0.873 6.613 3.651 464 HD12 ILE 53 HD12 ILE 53 -0.818 5.318 2.457 465 HD13 ILE 53 HD13 ILE 53 0.680 5.949 3.147 466 H LYS 54 HN LYS 54 -3.571 4.028 7.562 467 HA LYS 54 HA LYS 54 -5.558 2.181 6.576 468 HB2 LYS 54 HB2 LYS 54 -6.363 2.049 9.046 469 HB3 LYS 54 HB1 LYS 54 -5.020 1.064 8.511 470 HG2 LYS 54 HG2 LYS 54 -4.519 1.924 10.681 471 HG3 LYS 54 HG1 LYS 54 -3.442 2.676 9.518 472 HD2 LYS 54 HD2 LYS 54 -4.147 4.354 11.077 473 HD3 LYS 54 HD1 LYS 54 -4.954 4.670 9.541 474 HE2 LYS 54 HE2 LYS 54 -6.508 4.975 11.356 475 HE3 LYS 54 HE1 LYS 54 -6.978 3.569 10.406 476 HZ1 LYS 54 HZ1 LYS 54 -5.992 2.135 12.094 477 HZ2 LYS 54 HZ2 LYS 54 -7.130 3.151 12.800 478 HZ3 LYS 54 HZ3 LYS 54 -5.483 3.479 12.972 479 H LEU 55 HN LEU 55 -7.570 2.888 6.381 480 HA LEU 55 HA LEU 55 -8.001 5.723 6.634 481 HB2 LEU 55 HB2 LEU 55 -9.685 3.461 5.610 482 HB3 LEU 55 HB1 LEU 55 -10.296 5.082 5.804 483 HG LEU 55 HG LEU 55 -8.142 4.179 3.887 484 HD11 LEU 55 HD11 LEU 55 -9.744 4.836 2.211 485 HD12 LEU 55 HD12 LEU 55 -10.918 5.209 3.477 486 HD13 LEU 55 HD13 LEU 55 -10.364 3.551 3.247 487 HD21 LEU 55 HD21 LEU 55 -7.600 6.401 4.744 488 HD22 LEU 55 HD22 LEU 55 -9.250 6.929 4.427 489 HD23 LEU 55 HD23 LEU 55 -8.188 6.498 3.083 490 H ARG 56 HN ARG 56 -8.571 6.483 8.478 491 HA ARG 56 HA ARG 56 -9.685 5.021 10.643 492 HB2 ARG 56 HB2 ARG 56 -8.446 7.161 10.853 493 HB3 ARG 56 HB1 ARG 56 -9.764 7.985 10.043 494 HG2 ARG 56 HG2 ARG 56 -11.253 7.276 11.915 495 HG3 ARG 56 HG1 ARG 56 -9.812 6.687 12.754 496 HD2 ARG 56 HD2 ARG 56 -10.327 8.931 13.502 497 HD3 ARG 56 HD1 ARG 56 -8.826 8.934 12.572 498 HE ARG 56 HE ARG 56 -11.371 9.607 11.299 499 HH11 ARG 56 HH11 ARG 56 -8.042 10.565 12.153 500 HH12 ARG 56 HH12 ARG 56 -8.116 12.040 11.328 501 HH21 ARG 56 HH21 ARG 56 -11.439 11.635 10.150 502 HH22 ARG 56 HH22 ARG 56 -10.093 12.671 10.181 503 H SER 57 HN SER 57 -10.938 6.792 7.939 504 HA SER 57 HA SER 57 -13.580 7.148 8.648 505 HB2 SER 57 HB2 SER 57 -12.561 6.713 5.875 506 HB3 SER 57 HB1 SER 57 -13.756 7.882 6.457 507 HG SER 57 HG SER 57 -12.212 9.214 6.917 508 H SER 58 HN SER 58 -12.255 4.798 6.284 509 HA SER 58 HA SER 58 -14.741 3.336 6.293 510 HB2 SER 58 HB2 SER 58 -12.276 2.897 4.631 511 HB3 SER 58 HB1 SER 58 -13.924 2.356 4.289 512 HG SER 58 HG SER 58 -14.525 4.561 4.196 513 H GLY 59 HN GLY 59 -11.548 2.907 7.678 514 HA2 GLY 59 HA2 GLY 59 -10.941 1.246 9.172 515 HA3 GLY 59 HA1 GLY 59 -12.392 0.347 8.736 516 H TYR 60 HN TYR 60 -10.577 1.452 6.107 517 HA TYR 60 HA TYR 60 -9.702 -1.273 5.547 518 HB2 TYR 60 HB2 TYR 60 -10.179 1.116 3.778 519 HB3 TYR 60 HB1 TYR 60 -9.263 -0.271 3.209 520 HD1 TYR 60 HD2 TYR 60 -12.549 0.591 4.756 521 HD2 TYR 60 HD1 TYR 60 -10.386 -2.032 2.212 522 HE1 TYR 60 HE2 TYR 60 -14.638 -0.549 4.166 523 HE2 TYR 60 HE1 TYR 60 -12.469 -3.189 1.622 524 HH TYR 60 HH TYR 60 -15.484 -1.901 2.295 525 H ARG 61 HN ARG 61 -7.606 -1.762 4.973 526 HA ARG 61 HA ARG 61 -5.621 0.260 5.718 527 HB2 ARG 61 HB2 ARG 61 -5.437 -2.713 6.161 528 HB3 ARG 61 HB1 ARG 61 -4.372 -1.464 6.793 529 HG2 ARG 61 HG2 ARG 61 -6.210 -0.607 8.180 530 HG3 ARG 61 HG1 ARG 61 -7.258 -1.873 7.544 531 HD2 ARG 61 HD2 ARG 61 -5.661 -3.536 8.407 532 HD3 ARG 61 HD1 ARG 61 -4.770 -2.198 9.137 533 HE ARG 61 HE ARG 61 -7.524 -2.222 9.860 534 HH11 ARG 61 HH11 ARG 61 -4.354 -3.485 10.762 535 HH12 ARG 61 HH12 ARG 61 -4.823 -3.998 12.320 536 HH21 ARG 61 HH21 ARG 61 -8.177 -2.905 12.000 537 HH22 ARG 61 HH22 ARG 61 -7.063 -3.638 13.051 538 H LEU 62 HN LEU 62 -3.735 0.202 4.492 539 HA LEU 62 HA LEU 62 -3.706 -1.587 2.174 540 HB2 LEU 62 HB2 LEU 62 -4.623 0.639 1.575 541 HB3 LEU 62 HB1 LEU 62 -3.186 1.399 2.202 542 HG LEU 62 HG LEU 62 -3.059 -0.487 -0.154 543 HD11 LEU 62 HD11 LEU 62 -4.680 1.272 -0.659 544 HD12 LEU 62 HD12 LEU 62 -3.196 1.469 -1.588 545 HD13 LEU 62 HD13 LEU 62 -3.500 2.496 -0.179 546 HD21 LEU 62 HD21 LEU 62 -0.943 0.061 0.897 547 HD22 LEU 62 HD22 LEU 62 -1.337 1.772 0.831 548 HD23 LEU 62 HD23 LEU 62 -1.064 0.874 -0.669 549 H VAL 63 HN VAL 63 -1.708 -2.442 1.723 550 HA VAL 63 HA VAL 63 0.545 -1.575 3.411 551 HB VAL 63 HB VAL 63 -0.129 -4.396 2.500 552 HG11 VAL 63 HG11 VAL 63 2.152 -3.417 4.211 553 HG12 VAL 63 HG12 VAL 63 2.283 -4.054 2.572 554 HG13 VAL 63 HG13 VAL 63 1.771 -5.108 3.893 555 HG21 VAL 63 HG21 VAL 63 -0.441 -4.878 4.895 556 HG22 VAL 63 HG22 VAL 63 -1.582 -3.662 4.314 557 HG23 VAL 63 HG23 VAL 63 -0.180 -3.172 5.260 558 H TYR 64 HN TYR 64 2.341 -1.061 2.353 559 HA TYR 64 HA TYR 64 2.760 -2.008 -0.375 560 HB2 TYR 64 HB2 TYR 64 3.372 0.277 -1.143 561 HB3 TYR 64 HB1 TYR 64 1.682 0.119 -0.703 562 HD1 TYR 64 HD2 TYR 64 4.922 1.212 0.848 563 HD2 TYR 64 HD1 TYR 64 0.737 1.797 0.522 564 HE1 TYR 64 HE2 TYR 64 5.101 3.201 2.261 565 HE2 TYR 64 HE1 TYR 64 0.895 3.783 1.918 566 HH TYR 64 HH TYR 64 3.895 5.216 2.722 567 H GLN 65 HN GLN 65 4.960 -1.760 -1.113 568 HA GLN 65 HA GLN 65 6.844 -1.418 1.104 569 HB2 GLN 65 HB2 GLN 65 8.417 -2.877 -0.070 570 HB3 GLN 65 HB1 GLN 65 6.900 -3.721 0.170 571 HG2 GLN 65 HG2 GLN 65 6.305 -3.331 -2.164 572 HG3 GLN 65 HG1 GLN 65 7.798 -2.427 -2.400 573 HE21 GLN 65 HE21 GLN 65 9.786 -3.558 -2.416 574 HE22 GLN 65 HE22 GLN 65 9.838 -5.249 -2.662 575 H VAL 66 HN VAL 66 8.462 0.005 0.854 576 HA VAL 66 HA VAL 66 8.214 1.748 -1.482 577 HB VAL 66 HB VAL 66 9.694 2.232 1.121 578 HG11 VAL 66 HG11 VAL 66 9.171 4.117 -1.189 579 HG12 VAL 66 HG12 VAL 66 10.736 3.443 -0.734 580 HG13 VAL 66 HG13 VAL 66 9.910 4.561 0.351 581 HG21 VAL 66 HG21 VAL 66 7.102 3.398 0.106 582 HG22 VAL 66 HG22 VAL 66 7.918 3.819 1.617 583 HG23 VAL 66 HG23 VAL 66 7.270 2.199 1.386 584 H ILE 67 HN ILE 67 9.510 1.298 -3.120 585 HA ILE 67 HA ILE 67 12.096 0.081 -2.553 586 HB ILE 67 HB ILE 67 10.912 0.678 -5.284 587 HG12 ILE 67 HG12 ILE 67 10.659 -1.925 -3.741 588 HG13 ILE 67 HG11 ILE 67 9.353 -0.768 -3.955 589 HG21 ILE 67 HG21 ILE 67 13.307 0.211 -5.216 590 HG22 ILE 67 HG22 ILE 67 12.448 -1.116 -6.002 591 HG23 ILE 67 HG23 ILE 67 13.009 -1.292 -4.339 592 HD11 ILE 67 HD11 ILE 67 9.444 -1.116 -6.368 593 HD12 ILE 67 HD12 ILE 67 9.141 -2.624 -5.504 594 HD13 ILE 67 HD13 ILE 67 10.749 -2.282 -6.154 595 H ASP 68 HN ASP 68 13.299 1.806 -1.810 596 HA ASP 68 HA ASP 68 13.067 4.424 -2.826 597 HB2 ASP 68 HB2 ASP 68 14.951 4.934 -1.421 598 HB3 ASP 68 HB1 ASP 68 13.851 3.882 -0.546 599 H GLU 69 HN GLU 69 14.910 1.699 -3.655 600 HA GLU 69 HA GLU 69 17.001 2.867 -5.128 601 HB2 GLU 69 HB2 GLU 69 15.720 0.152 -5.358 602 HB3 GLU 69 HB1 GLU 69 17.279 0.617 -6.029 603 HG2 GLU 69 HG2 GLU 69 18.225 0.907 -3.880 604 HG3 GLU 69 HG1 GLU 69 16.651 0.781 -3.100 605 H LYS 70 HN LYS 70 13.707 2.041 -5.955 606 HA LYS 70 HA LYS 70 14.205 2.785 -8.755 607 HB2 LYS 70 HB2 LYS 70 11.912 1.322 -7.474 608 HB3 LYS 70 HB1 LYS 70 11.911 1.821 -9.163 609 HG2 LYS 70 HG2 LYS 70 13.849 0.347 -9.539 610 HG3 LYS 70 HG1 LYS 70 13.777 -0.150 -7.844 611 HD2 LYS 70 HD2 LYS 70 11.486 -0.970 -8.190 612 HD3 LYS 70 HD1 LYS 70 11.573 -0.491 -9.881 613 HE2 LYS 70 HE2 LYS 70 13.298 -2.564 -8.523 614 HE3 LYS 70 HE1 LYS 70 11.946 -2.889 -9.591 615 HZ1 LYS 70 HZ1 LYS 70 13.159 -1.832 -11.402 616 HZ2 LYS 70 HZ2 LYS 70 14.052 -3.094 -10.723 617 HZ3 LYS 70 HZ3 LYS 70 14.466 -1.508 -10.377 618 H VAL 71 HN VAL 71 13.178 4.036 -5.890 619 HA VAL 71 HA VAL 71 12.120 5.896 -5.196 620 HB VAL 71 HB VAL 71 12.141 6.786 -8.128 621 HG11 VAL 71 HG11 VAL 71 12.078 8.452 -5.606 622 HG12 VAL 71 HG12 VAL 71 10.750 8.232 -6.745 623 HG13 VAL 71 HG13 VAL 71 12.206 9.087 -7.246 624 HG21 VAL 71 HG21 VAL 71 14.292 7.188 -6.043 625 HG22 VAL 71 HG22 VAL 71 14.285 7.901 -7.656 626 HG23 VAL 71 HG23 VAL 71 14.395 6.152 -7.465 627 H VAL 72 HN VAL 72 10.630 3.536 -5.923 628 HA VAL 72 HA VAL 72 8.065 4.818 -6.409 629 HB VAL 72 HB VAL 72 8.774 3.713 -8.535 630 HG11 VAL 72 HG11 VAL 72 8.761 1.301 -8.741 631 HG12 VAL 72 HG12 VAL 72 8.635 1.165 -6.980 632 HG13 VAL 72 HG13 VAL 72 10.060 1.910 -7.713 633 HG21 VAL 72 HG21 VAL 72 6.353 2.458 -7.236 634 HG22 VAL 72 HG22 VAL 72 6.686 2.477 -8.968 635 HG23 VAL 72 HG23 VAL 72 6.396 3.989 -8.108 636 H VAL 73 HN VAL 73 6.445 4.152 -5.273 637 HA VAL 73 HA VAL 73 6.889 2.269 -3.124 638 HB VAL 73 HB VAL 73 4.679 4.280 -3.648 639 HG11 VAL 73 HG11 VAL 73 3.915 2.422 -2.301 640 HG12 VAL 73 HG12 VAL 73 4.040 3.887 -1.329 641 HG13 VAL 73 HG13 VAL 73 5.279 2.635 -1.208 642 HG21 VAL 73 HG21 VAL 73 7.031 4.428 -1.766 643 HG22 VAL 73 HG22 VAL 73 5.705 5.587 -1.833 644 HG23 VAL 73 HG23 VAL 73 6.780 5.397 -3.216 645 H PHE 74 HN PHE 74 6.060 0.311 -3.341 646 HA PHE 74 HA PHE 74 4.245 -0.211 -5.583 647 HB2 PHE 74 HB2 PHE 74 6.536 -1.146 -5.703 648 HB3 PHE 74 HB1 PHE 74 6.258 -1.992 -4.198 649 HD1 PHE 74 HD1 PHE 74 5.013 -1.702 -7.679 650 HD2 PHE 74 HD2 PHE 74 5.434 -4.157 -4.232 651 HE1 PHE 74 HE1 PHE 74 4.250 -3.644 -8.977 652 HE2 PHE 74 HE2 PHE 74 4.670 -6.108 -5.523 653 HZ PHE 74 HZ PHE 74 4.078 -5.847 -7.901 654 H VAL 75 HN VAL 75 2.226 -0.442 -4.837 655 HA VAL 75 HA VAL 75 1.632 -1.290 -2.143 656 HB VAL 75 HB VAL 75 -0.244 -0.898 -4.505 657 HG11 VAL 75 HG11 VAL 75 -1.252 -2.308 -2.814 658 HG12 VAL 75 HG12 VAL 75 -2.025 -0.724 -2.804 659 HG13 VAL 75 HG13 VAL 75 -0.850 -1.142 -1.559 660 HG21 VAL 75 HG21 VAL 75 -0.782 1.271 -3.474 661 HG22 VAL 75 HG22 VAL 75 0.908 1.165 -3.967 662 HG23 VAL 75 HG23 VAL 75 0.478 1.000 -2.267 663 H ILE 76 HN ILE 76 1.456 -3.322 -1.492 664 HA ILE 76 HA ILE 76 1.520 -5.427 -3.542 665 HB ILE 76 HB ILE 76 1.921 -5.760 -0.558 666 HG12 ILE 76 HG12 ILE 76 4.081 -5.406 -2.654 667 HG13 ILE 76 HG11 ILE 76 3.589 -4.156 -1.518 668 HG21 ILE 76 HG21 ILE 76 2.678 -7.482 -2.932 669 HG22 ILE 76 HG22 ILE 76 1.416 -7.827 -1.748 670 HG23 ILE 76 HG23 ILE 76 3.113 -7.819 -1.259 671 HD11 ILE 76 HD11 ILE 76 5.618 -5.281 -0.792 672 HD12 ILE 76 HD12 ILE 76 4.773 -6.830 -0.795 673 HD13 ILE 76 HD13 ILE 76 4.300 -5.569 0.343 674 H SER 77 HN SER 77 -0.258 -4.384 -0.643 675 HA SER 77 HA SER 77 -2.471 -6.083 -1.461 676 HB2 SER 77 HB2 SER 77 -1.268 -6.117 1.320 677 HB3 SER 77 HB1 SER 77 -2.695 -7.012 0.789 678 HG SER 77 HG SER 77 -0.760 -7.545 -0.909 679 H VAL 78 HN VAL 78 -4.486 -5.319 -0.720 680 HA VAL 78 HA VAL 78 -4.558 -3.024 0.980 681 HB VAL 78 HB VAL 78 -4.215 -2.012 -1.245 682 HG11 VAL 78 HG11 VAL 78 -5.038 -3.778 -2.661 683 HG12 VAL 78 HG12 VAL 78 -5.836 -2.254 -3.046 684 HG13 VAL 78 HG13 VAL 78 -6.687 -3.481 -2.108 685 HG21 VAL 78 HG21 VAL 78 -7.051 -1.680 -0.290 686 HG22 VAL 78 HG22 VAL 78 -6.176 -0.565 -1.346 687 HG23 VAL 78 HG23 VAL 78 -5.632 -0.821 0.311 688 H GLY 79 HN GLY 79 -6.525 -2.940 2.087 689 HA2 GLY 79 HA2 GLY 79 -8.962 -3.587 1.398 690 HA3 GLY 79 HA1 GLY 79 -8.293 -5.190 1.615 691 H LYS 80 HN LYS 80 -8.395 -6.017 3.615 692 HA LYS 80 HA LYS 80 -8.699 -4.176 5.848 693 HB2 LYS 80 HB2 LYS 80 -10.605 -6.424 5.191 694 HB3 LYS 80 HB1 LYS 80 -10.570 -5.556 6.719 695 HG2 LYS 80 HG2 LYS 80 -11.203 -3.506 5.627 696 HG3 LYS 80 HG1 LYS 80 -11.078 -4.268 4.044 697 HD2 LYS 80 HD2 LYS 80 -13.395 -4.084 4.709 698 HD3 LYS 80 HD1 LYS 80 -12.932 -5.777 4.651 699 HE2 LYS 80 HE2 LYS 80 -12.643 -5.779 7.080 700 HE3 LYS 80 HE1 LYS 80 -13.112 -4.080 7.139 701 HZ1 LYS 80 HZ1 LYS 80 -15.295 -4.727 6.252 702 HZ2 LYS 80 HZ2 LYS 80 -14.953 -5.516 7.696 703 HZ3 LYS 80 HZ3 LYS 80 -14.813 -6.348 6.245 704 H ALA 81 HN ALA 81 -8.106 -5.045 7.800 705 HA ALA 81 HA ALA 81 -6.707 -7.589 7.588 706 HB1 ALA 81 HB1 ALA 81 -5.367 -6.870 9.509 707 HB2 ALA 81 HB2 ALA 81 -6.280 -5.360 9.577 708 HB3 ALA 81 HB3 ALA 81 -5.256 -5.705 8.184 709 H GLU 82 HN GLU 82 -8.408 -8.873 7.940 710 HA GLU 82 HA GLU 82 -10.161 -8.505 10.178 711 HB2 GLU 82 HB2 GLU 82 -11.185 -10.619 9.520 712 HB3 GLU 82 HB1 GLU 82 -10.909 -9.667 8.080 713 HG2 GLU 82 HG2 GLU 82 -9.201 -11.954 9.022 714 HG3 GLU 82 HG1 GLU 82 -10.434 -12.064 7.765 715 H ALA 83 HN ALA 83 -7.485 -10.506 9.308 716 HA ALA 83 HA ALA 83 -6.753 -10.708 12.105 717 HB1 ALA 83 HB1 ALA 83 -7.888 -12.824 11.584 718 HB2 ALA 83 HB2 ALA 83 -6.161 -13.077 11.844 719 HB3 ALA 83 HB3 ALA 83 -6.809 -13.055 10.207 720 H SER 84 HN SER 84 -5.674 -11.857 8.883 721 HA SER 84 HA SER 84 -3.318 -10.192 9.138 722 HB2 SER 84 HB2 SER 84 -3.035 -13.203 9.065 723 HB3 SER 84 HB1 SER 84 -1.715 -12.037 8.993 724 HG SER 84 HG SER 84 -2.674 -11.278 11.107 725 H GLU 85 HN GLU 85 -5.651 -10.832 7.043 726 HA GLU 85 HA GLU 85 -4.517 -12.149 4.868 727 HB2 GLU 85 HB2 GLU 85 -6.899 -11.572 5.040 728 HB3 GLU 85 HB1 GLU 85 -6.502 -9.884 4.789 729 HG2 GLU 85 HG2 GLU 85 -5.714 -10.328 2.560 730 HG3 GLU 85 HG1 GLU 85 -5.927 -12.059 2.792 731 H VAL 86 HN VAL 86 -4.400 -8.729 5.672 732 HA VAL 86 HA VAL 86 -3.047 -7.888 3.364 733 HB VAL 86 HB VAL 86 -2.398 -5.853 4.624 734 HG11 VAL 86 HG11 VAL 86 -4.670 -5.055 5.091 735 HG12 VAL 86 HG12 VAL 86 -5.255 -6.714 5.021 736 HG13 VAL 86 HG13 VAL 86 -4.579 -5.956 3.577 737 HG21 VAL 86 HG21 VAL 86 -1.966 -6.864 6.814 738 HG22 VAL 86 HG22 VAL 86 -3.679 -7.240 6.988 739 HG23 VAL 86 HG23 VAL 86 -3.144 -5.557 6.950 740 H TYR 87 HN TYR 87 -1.866 -9.649 6.041 741 HA TYR 87 HA TYR 87 0.897 -8.957 5.442 742 HB2 TYR 87 HB2 TYR 87 -0.281 -10.791 7.529 743 HB3 TYR 87 HB1 TYR 87 1.437 -10.596 7.255 744 HD1 TYR 87 HD2 TYR 87 2.505 -8.392 7.708 745 HD2 TYR 87 HD1 TYR 87 -1.504 -9.226 8.825 746 HE1 TYR 87 HE2 TYR 87 2.579 -6.538 9.302 747 HE2 TYR 87 HE1 TYR 87 -1.447 -7.370 10.436 748 HH TYR 87 HH TYR 87 0.274 -6.209 11.710 749 H SER 88 HN SER 88 -1.372 -11.641 5.266 750 HA SER 88 HA SER 88 0.324 -13.683 4.504 751 HB2 SER 88 HB2 SER 88 -2.543 -13.221 3.690 752 HB3 SER 88 HB1 SER 88 -1.694 -14.766 3.653 753 HG SER 88 HG SER 88 -1.303 -13.881 6.039 754 H GLU 89 HN GLU 89 -1.536 -11.479 2.417 755 HA GLU 89 HA GLU 89 -0.615 -12.592 -0.003 756 HB2 GLU 89 HB2 GLU 89 -1.800 -9.888 0.604 757 HB3 GLU 89 HB1 GLU 89 -1.522 -10.510 -1.016 758 HG2 GLU 89 HG2 GLU 89 -3.333 -11.740 1.050 759 HG3 GLU 89 HG1 GLU 89 -3.849 -10.778 -0.334 760 H ALA 90 HN ALA 90 0.667 -10.220 2.127 761 HA ALA 90 HA ALA 90 2.536 -9.179 0.218 762 HB1 ALA 90 HB1 ALA 90 3.394 -7.840 2.058 763 HB2 ALA 90 HB2 ALA 90 2.415 -8.758 3.204 764 HB3 ALA 90 HB3 ALA 90 1.632 -7.745 1.988 765 H VAL 91 HN VAL 91 2.718 -11.278 3.088 766 HA VAL 91 HA VAL 91 5.511 -11.573 2.925 767 HB VAL 91 HB VAL 91 4.193 -12.006 5.016 768 HG11 VAL 91 HG11 VAL 91 2.377 -13.317 4.153 769 HG12 VAL 91 HG12 VAL 91 3.217 -14.204 5.427 770 HG13 VAL 91 HG13 VAL 91 3.478 -14.628 3.734 771 HG21 VAL 91 HG21 VAL 91 5.595 -13.877 5.820 772 HG22 VAL 91 HG22 VAL 91 6.509 -12.671 4.913 773 HG23 VAL 91 HG23 VAL 91 6.072 -14.197 4.150 774 H LYS 92 HN LYS 92 2.890 -13.389 1.479 775 HA LYS 92 HA LYS 92 4.524 -15.504 0.521 776 HB2 LYS 92 HB2 LYS 92 1.797 -14.560 -0.350 777 HB3 LYS 92 HB1 LYS 92 2.607 -15.933 -1.083 778 HG2 LYS 92 HG2 LYS 92 1.838 -15.697 1.826 779 HG3 LYS 92 HG1 LYS 92 0.986 -16.638 0.602 780 HD2 LYS 92 HD2 LYS 92 3.055 -17.964 0.252 781 HD3 LYS 92 HD1 LYS 92 3.809 -17.081 1.581 782 HE2 LYS 92 HE2 LYS 92 2.054 -17.892 3.091 783 HE3 LYS 92 HE1 LYS 92 1.339 -18.785 1.751 784 HZ1 LYS 92 HZ1 LYS 92 4.062 -19.222 2.848 785 HZ2 LYS 92 HZ2 LYS 92 3.401 -20.069 1.573 786 HZ3 LYS 92 HZ3 LYS 92 2.736 -20.222 3.110 787 H ARG 93 HN ARG 93 4.371 -12.324 -0.399 788 HA ARG 93 HA ARG 93 5.178 -12.837 -3.128 789 HB2 ARG 93 HB2 ARG 93 3.738 -10.899 -2.525 790 HB3 ARG 93 HB1 ARG 93 5.073 -10.234 -1.605 791 HG2 ARG 93 HG2 ARG 93 4.854 -9.182 -3.791 792 HG3 ARG 93 HG1 ARG 93 6.395 -10.031 -3.630 793 HD2 ARG 93 HD2 ARG 93 5.673 -11.815 -4.978 794 HD3 ARG 93 HD1 ARG 93 3.984 -11.321 -4.886 795 HE ARG 93 HE ARG 93 6.089 -10.167 -6.512 796 HH11 ARG 93 HH11 ARG 93 2.664 -10.231 -5.500 797 HH12 ARG 93 HH12 ARG 93 2.191 -9.050 -6.625 798 HH21 ARG 93 HH21 ARG 93 5.330 -8.556 -8.123 799 HH22 ARG 93 HH22 ARG 93 3.646 -8.137 -8.059 800 H ILE 94 HN ILE 94 6.563 -12.235 -0.027 801 HA ILE 94 HA ILE 94 9.191 -11.765 -1.189 802 HB ILE 94 HB ILE 94 8.187 -11.505 1.668 803 HG12 ILE 94 HG12 ILE 94 9.146 -9.179 1.462 804 HG13 ILE 94 HG11 ILE 94 9.478 -9.519 -0.224 805 HG21 ILE 94 HG21 ILE 94 11.070 -11.346 0.811 806 HG22 ILE 94 HG22 ILE 94 10.351 -12.573 1.855 807 HG23 ILE 94 HG23 ILE 94 10.449 -10.899 2.399 808 HD11 ILE 94 HD11 ILE 94 7.487 -8.176 0.041 809 HD12 ILE 94 HD12 ILE 94 6.766 -9.417 1.070 810 HD13 ILE 94 HD13 ILE 94 7.082 -9.757 -0.632 811 H LEU 95 HN LEU 95 7.477 -14.123 0.841 812 HA LEU 95 HA LEU 95 9.224 -16.163 -0.093 813 HB2 LEU 95 HB2 LEU 95 10.362 -15.066 1.947 814 HB3 LEU 95 HB1 LEU 95 9.045 -15.710 2.897 815 HG LEU 95 HG LEU 95 10.923 -17.458 1.294 816 HD11 LEU 95 HD11 LEU 95 11.084 -16.672 4.190 817 HD12 LEU 95 HD12 LEU 95 12.204 -16.186 2.916 818 HD13 LEU 95 HD13 LEU 95 12.093 -17.880 3.395 819 HD21 LEU 95 HD21 LEU 95 10.162 -19.230 2.797 820 HD22 LEU 95 HD22 LEU 95 8.796 -18.518 1.940 821 HD23 LEU 95 HD23 LEU 95 9.102 -18.089 3.624 Start of MODEL 16 1 H MET 1 H MET 1 11.275 14.613 0.343 2 HA MET 1 HA MET 1 11.455 13.864 -1.992 3 HB2 MET 1 HB2 MET 1 13.027 12.957 -0.469 4 HB3 MET 1 HB1 MET 1 11.848 11.780 0.147 5 HG2 MET 1 HG2 MET 1 13.501 10.713 -1.294 6 HG3 MET 1 HG1 MET 1 11.901 10.649 -2.025 7 HE1 MET 1 HE1 MET 1 14.233 10.925 -5.142 8 HE2 MET 1 HE2 MET 1 12.927 10.026 -4.371 9 HE3 MET 1 HE3 MET 1 14.537 10.036 -3.649 10 H ALA 2 HN ALA 2 10.426 13.091 -3.543 11 HA ALA 2 HA ALA 2 7.960 11.614 -2.998 12 HB1 ALA 2 HB1 ALA 2 8.743 13.057 -5.523 13 HB2 ALA 2 HB2 ALA 2 7.727 13.721 -4.242 14 HB3 ALA 2 HB3 ALA 2 7.178 12.323 -5.168 15 H TYR 3 HN TYR 3 7.424 9.813 -4.081 16 HA TYR 3 HA TYR 3 9.542 8.440 -5.590 17 HB2 TYR 3 HB2 TYR 3 7.596 7.309 -3.554 18 HB3 TYR 3 HB1 TYR 3 8.543 6.320 -4.642 19 HD1 TYR 3 HD2 TYR 3 9.230 9.111 -2.212 20 HD2 TYR 3 HD1 TYR 3 10.305 5.246 -3.620 21 HE1 TYR 3 HE2 TYR 3 10.957 8.978 -0.490 22 HE2 TYR 3 HE1 TYR 3 12.042 5.096 -1.884 23 HH TYR 3 HH TYR 3 13.389 6.573 -0.480 24 H PHE 4 HN PHE 4 8.426 6.626 -6.871 25 HA PHE 4 HA PHE 4 6.028 7.665 -8.147 26 HB2 PHE 4 HB2 PHE 4 7.656 5.162 -8.680 27 HB3 PHE 4 HB1 PHE 4 6.297 5.687 -9.665 28 HD1 PHE 4 HD2 PHE 4 6.518 7.971 -10.794 29 HD2 PHE 4 HD1 PHE 4 9.808 5.854 -9.128 30 HE1 PHE 4 HE2 PHE 4 8.059 9.294 -12.173 31 HE2 PHE 4 HE1 PHE 4 11.361 7.172 -10.501 32 HZ PHE 4 HZ PHE 4 10.488 8.897 -12.034 33 H LEU 5 HN LEU 5 4.108 6.201 -8.359 34 HA LEU 5 HA LEU 5 3.880 4.379 -6.055 35 HB2 LEU 5 HB2 LEU 5 2.653 6.694 -5.931 36 HB3 LEU 5 HB1 LEU 5 1.605 6.048 -7.158 37 HG LEU 5 HG LEU 5 0.532 5.928 -4.988 38 HD11 LEU 5 HD11 LEU 5 -0.005 3.550 -4.794 39 HD12 LEU 5 HD12 LEU 5 1.278 3.191 -5.945 40 HD13 LEU 5 HD13 LEU 5 -0.113 4.163 -6.446 41 HD21 LEU 5 HD21 LEU 5 2.496 5.862 -3.563 42 HD22 LEU 5 HD22 LEU 5 2.832 4.210 -4.096 43 HD23 LEU 5 HD23 LEU 5 1.382 4.556 -3.167 44 H ASP 6 HN ASP 6 3.328 2.357 -6.713 45 HA ASP 6 HA ASP 6 1.900 2.060 -9.254 46 HB2 ASP 6 HB2 ASP 6 4.520 1.688 -9.288 47 HB3 ASP 6 HB1 ASP 6 4.103 0.162 -8.526 48 H PHE 7 HN PHE 7 1.166 -0.269 -9.393 49 HA PHE 7 HA PHE 7 0.393 -1.281 -6.742 50 HB2 PHE 7 HB2 PHE 7 -1.417 -1.001 -9.157 51 HB3 PHE 7 HB1 PHE 7 -1.843 -1.837 -7.677 52 HD1 PHE 7 HD2 PHE 7 -1.332 1.422 -9.264 53 HD2 PHE 7 HD1 PHE 7 -2.456 -0.602 -5.697 54 HE1 PHE 7 HE2 PHE 7 -2.277 3.515 -8.378 55 HE2 PHE 7 HE1 PHE 7 -3.412 1.482 -4.808 56 HZ PHE 7 HZ PHE 7 -3.323 3.545 -6.147 57 H ASP 8 HN ASP 8 0.463 -3.478 -6.600 58 HA ASP 8 HA ASP 8 1.494 -4.941 -8.853 59 HB2 ASP 8 HB2 ASP 8 2.203 -5.520 -6.537 60 HB3 ASP 8 HB1 ASP 8 0.538 -5.957 -6.156 61 H GLU 9 HN GLU 9 0.348 -6.784 -9.769 62 HA GLU 9 HA GLU 9 -2.223 -6.122 -10.600 63 HB2 GLU 9 HB2 GLU 9 -2.333 -8.386 -11.550 64 HB3 GLU 9 HB1 GLU 9 -0.858 -7.527 -11.968 65 HG2 GLU 9 HG2 GLU 9 0.424 -8.825 -10.482 66 HG3 GLU 9 HG1 GLU 9 -1.018 -9.486 -9.710 67 H ARG 10 HN ARG 10 -1.206 -8.062 -7.831 68 HA ARG 10 HA ARG 10 -3.768 -9.267 -7.387 69 HB2 ARG 10 HB2 ARG 10 -1.779 -8.534 -5.241 70 HB3 ARG 10 HB1 ARG 10 -3.029 -9.755 -5.153 71 HG2 ARG 10 HG2 ARG 10 -1.791 -11.021 -6.919 72 HG3 ARG 10 HG1 ARG 10 -0.496 -9.829 -6.742 73 HD2 ARG 10 HD2 ARG 10 0.134 -11.575 -5.322 74 HD3 ARG 10 HD1 ARG 10 -0.581 -10.372 -4.255 75 HE ARG 10 HE ARG 10 -1.739 -12.910 -5.084 76 HH11 ARG 10 HH11 ARG 10 -2.314 -9.966 -3.108 77 HH12 ARG 10 HH12 ARG 10 -3.172 -10.824 -1.921 78 HH21 ARG 10 HH21 ARG 10 -2.935 -14.006 -3.380 79 HH22 ARG 10 HH22 ARG 10 -3.500 -13.081 -2.038 80 H ALA 11 HN ALA 11 -2.101 -6.452 -6.164 81 HA ALA 11 HA ALA 11 -4.063 -5.494 -4.443 82 HB1 ALA 11 HB1 ALA 11 -2.828 -3.402 -4.474 83 HB2 ALA 11 HB2 ALA 11 -1.934 -3.935 -5.895 84 HB3 ALA 11 HB3 ALA 11 -1.728 -4.776 -4.358 85 H LEU 12 HN LEU 12 -3.746 -5.242 -7.899 86 HA LEU 12 HA LEU 12 -5.491 -3.016 -8.186 87 HB2 LEU 12 HB2 LEU 12 -4.458 -5.083 -10.082 88 HB3 LEU 12 HB1 LEU 12 -5.680 -3.937 -10.577 89 HG LEU 12 HG LEU 12 -2.923 -3.205 -9.572 90 HD11 LEU 12 HD11 LEU 12 -4.082 -3.183 -12.358 91 HD12 LEU 12 HD12 LEU 12 -2.858 -4.303 -11.766 92 HD13 LEU 12 HD13 LEU 12 -2.489 -2.584 -11.902 93 HD21 LEU 12 HD21 LEU 12 -4.578 -1.469 -9.077 94 HD22 LEU 12 HD22 LEU 12 -5.161 -1.537 -10.729 95 HD23 LEU 12 HD23 LEU 12 -3.530 -0.953 -10.401 96 H LYS 13 HN LYS 13 -5.887 -6.469 -8.155 97 HA LYS 13 HA LYS 13 -8.582 -6.538 -8.963 98 HB2 LYS 13 HB2 LYS 13 -7.032 -8.406 -7.163 99 HB3 LYS 13 HB1 LYS 13 -8.564 -8.783 -7.934 100 HG2 LYS 13 HG2 LYS 13 -7.539 -8.719 -10.110 101 HG3 LYS 13 HG1 LYS 13 -6.018 -8.155 -9.410 102 HD2 LYS 13 HD2 LYS 13 -5.738 -10.123 -8.219 103 HD3 LYS 13 HD1 LYS 13 -7.321 -10.774 -8.681 104 HE2 LYS 13 HE2 LYS 13 -5.712 -11.872 -10.074 105 HE3 LYS 13 HE1 LYS 13 -6.467 -10.650 -11.087 106 HZ1 LYS 13 HZ1 LYS 13 -3.832 -10.513 -9.767 107 HZ2 LYS 13 HZ2 LYS 13 -4.542 -9.196 -10.573 108 HZ3 LYS 13 HZ3 LYS 13 -4.139 -10.607 -11.430 109 H GLU 14 HN GLU 14 -6.920 -6.375 -5.910 110 HA GLU 14 HA GLU 14 -9.113 -6.403 -4.152 111 HB2 GLU 14 HB2 GLU 14 -6.312 -5.315 -3.872 112 HB3 GLU 14 HB1 GLU 14 -7.417 -5.593 -2.532 113 HG2 GLU 14 HG2 GLU 14 -7.406 -7.938 -2.901 114 HG3 GLU 14 HG1 GLU 14 -6.554 -7.754 -4.429 115 H TRP 15 HN TRP 15 -7.244 -3.776 -5.575 116 HA TRP 15 HA TRP 15 -8.473 -1.563 -4.361 117 HB2 TRP 15 HB2 TRP 15 -6.309 -1.557 -5.560 118 HB3 TRP 15 HB1 TRP 15 -7.151 -1.847 -7.067 119 HD1 TRP 15 HD1 TRP 15 -8.103 0.234 -8.319 120 HE1 TRP 15 HE1 TRP 15 -7.909 2.752 -7.953 121 HE3 TRP 15 HE3 TRP 15 -6.187 0.174 -3.591 122 HZ2 TRP 15 HZ2 TRP 15 -7.024 4.509 -5.893 123 HZ3 TRP 15 HZ3 TRP 15 -5.681 2.308 -2.494 124 HH2 TRP 15 HH2 TRP 15 -6.089 4.424 -3.612 125 H ARG 16 HN ARG 16 -9.216 -3.258 -7.377 126 HA ARG 16 HA ARG 16 -11.401 -1.523 -7.972 127 HB2 ARG 16 HB2 ARG 16 -10.627 -4.173 -9.161 128 HB3 ARG 16 HB1 ARG 16 -11.953 -3.178 -9.756 129 HG2 ARG 16 HG2 ARG 16 -10.398 -1.374 -10.229 130 HG3 ARG 16 HG1 ARG 16 -9.069 -2.349 -9.604 131 HD2 ARG 16 HD2 ARG 16 -9.512 -4.020 -11.327 132 HD3 ARG 16 HD1 ARG 16 -10.805 -3.000 -11.966 133 HE ARG 16 HE ARG 16 -8.411 -1.551 -11.766 134 HH11 ARG 16 HH11 ARG 16 -10.005 -3.948 -13.821 135 HH12 ARG 16 HH12 ARG 16 -9.078 -3.571 -15.207 136 HH21 ARG 16 HH21 ARG 16 -7.107 -1.076 -13.628 137 HH22 ARG 16 HH22 ARG 16 -7.350 -1.899 -15.089 138 H LYS 17 HN LYS 17 -11.032 -4.401 -6.148 139 HA LYS 17 HA LYS 17 -13.765 -5.124 -5.930 140 HB2 LYS 17 HB2 LYS 17 -11.880 -6.598 -5.278 141 HB3 LYS 17 HB1 LYS 17 -11.498 -5.502 -3.961 142 HG2 LYS 17 HG2 LYS 17 -13.685 -5.981 -2.958 143 HG3 LYS 17 HG1 LYS 17 -14.011 -7.121 -4.266 144 HD2 LYS 17 HD2 LYS 17 -12.044 -8.419 -3.609 145 HD3 LYS 17 HD1 LYS 17 -11.738 -7.281 -2.293 146 HE2 LYS 17 HE2 LYS 17 -12.864 -9.208 -1.410 147 HE3 LYS 17 HE1 LYS 17 -13.949 -7.816 -1.371 148 HZ1 LYS 17 HZ1 LYS 17 -15.051 -8.673 -3.378 149 HZ2 LYS 17 HZ2 LYS 17 -15.065 -9.833 -2.155 150 HZ3 LYS 17 HZ3 LYS 17 -13.975 -9.962 -3.415 151 H LEU 18 HN LEU 18 -11.702 -2.841 -4.314 152 HA LEU 18 HA LEU 18 -13.492 -1.965 -2.325 153 HB2 LEU 18 HB2 LEU 18 -11.040 -0.896 -3.578 154 HB3 LEU 18 HB1 LEU 18 -12.102 0.279 -2.836 155 HG LEU 18 HG LEU 18 -11.859 -0.720 -0.697 156 HD11 LEU 18 HD11 LEU 18 -11.919 -3.010 -1.333 157 HD12 LEU 18 HD12 LEU 18 -10.526 -2.705 -0.284 158 HD13 LEU 18 HD13 LEU 18 -10.300 -2.913 -2.033 159 HD21 LEU 18 HD21 LEU 18 -9.463 -0.511 -0.344 160 HD22 LEU 18 HD22 LEU 18 -10.125 0.764 -1.368 161 HD23 LEU 18 HD23 LEU 18 -9.211 -0.564 -2.094 162 H GLY 19 HN GLY 19 -14.893 -0.361 -2.276 163 HA2 GLY 19 HA2 GLY 19 -16.684 -0.249 -4.427 164 HA3 GLY 19 HA1 GLY 19 -16.718 0.816 -3.034 165 H SER 20 HN SER 20 -15.578 2.765 -3.143 166 HA SER 20 HA SER 20 -14.379 3.672 -5.554 167 HB2 SER 20 HB2 SER 20 -16.805 3.775 -6.185 168 HB3 SER 20 HB1 SER 20 -17.093 4.824 -4.800 169 HG SER 20 HG SER 20 -16.814 5.966 -6.764 170 H THR 21 HN THR 21 -16.251 4.884 -2.816 171 HA THR 21 HA THR 21 -14.693 7.161 -2.350 172 HB THR 21 HB THR 21 -16.366 5.723 -0.282 173 HG1 THR 21 HG1 THR 21 -17.101 7.200 -2.597 174 HG21 THR 21 HG21 THR 21 -15.166 7.802 0.384 175 HG22 THR 21 HG22 THR 21 -16.918 7.995 0.417 176 HG23 THR 21 HG23 THR 21 -15.986 8.658 -0.926 177 H VAL 22 HN VAL 22 -14.688 3.949 -0.849 178 HA VAL 22 HA VAL 22 -12.774 4.408 1.128 179 HB VAL 22 HB VAL 22 -13.565 1.879 -0.342 180 HG11 VAL 22 HG11 VAL 22 -12.420 0.616 1.390 181 HG12 VAL 22 HG12 VAL 22 -11.797 2.112 2.092 182 HG13 VAL 22 HG13 VAL 22 -11.280 1.606 0.480 183 HG21 VAL 22 HG21 VAL 22 -15.272 2.892 1.074 184 HG22 VAL 22 HG22 VAL 22 -14.157 2.861 2.444 185 HG23 VAL 22 HG23 VAL 22 -14.709 1.351 1.712 186 H ARG 23 HN ARG 23 -12.370 3.187 -2.174 187 HA ARG 23 HA ARG 23 -9.559 3.010 -1.869 188 HB2 ARG 23 HB2 ARG 23 -9.428 2.767 -4.336 189 HB3 ARG 23 HB1 ARG 23 -10.476 1.608 -3.548 190 HG2 ARG 23 HG2 ARG 23 -12.374 2.569 -4.367 191 HG3 ARG 23 HG1 ARG 23 -11.626 4.099 -4.782 192 HD2 ARG 23 HD2 ARG 23 -10.229 2.861 -6.396 193 HD3 ARG 23 HD1 ARG 23 -11.151 1.394 -6.047 194 HE ARG 23 HE ARG 23 -12.414 3.834 -7.114 195 HH11 ARG 23 HH11 ARG 23 -12.027 0.299 -7.201 196 HH12 ARG 23 HH12 ARG 23 -12.944 0.110 -8.634 197 HH21 ARG 23 HH21 ARG 23 -13.701 3.536 -9.038 198 HH22 ARG 23 HH22 ARG 23 -13.918 1.965 -9.684 199 H GLU 24 HN GLU 24 -11.670 5.557 -3.006 200 HA GLU 24 HA GLU 24 -9.613 7.145 -4.017 201 HB2 GLU 24 HB2 GLU 24 -12.361 7.811 -3.067 202 HB3 GLU 24 HB1 GLU 24 -11.253 9.063 -3.632 203 HG2 GLU 24 HG2 GLU 24 -11.043 7.791 -5.766 204 HG3 GLU 24 HG1 GLU 24 -12.305 6.709 -5.176 205 H GLN 25 HN GLN 25 -10.984 7.011 -0.736 206 HA GLN 25 HA GLN 25 -9.317 9.095 0.193 207 HB2 GLN 25 HB2 GLN 25 -10.620 6.842 1.704 208 HB3 GLN 25 HB1 GLN 25 -9.440 7.894 2.478 209 HG2 GLN 25 HG2 GLN 25 -11.615 8.689 3.036 210 HG3 GLN 25 HG1 GLN 25 -10.881 9.828 1.921 211 HE21 GLN 25 HE21 GLN 25 -11.750 10.068 -0.098 212 HE22 GLN 25 HE22 GLN 25 -13.293 9.428 -0.544 213 H LEU 26 HN LEU 26 -8.819 5.616 0.049 214 HA LEU 26 HA LEU 26 -6.287 5.585 1.228 215 HB2 LEU 26 HB2 LEU 26 -7.486 3.803 -0.853 216 HB3 LEU 26 HB1 LEU 26 -5.932 3.481 -0.109 217 HG LEU 26 HG LEU 26 -8.552 3.642 1.400 218 HD11 LEU 26 HD11 LEU 26 -6.878 1.262 0.644 219 HD12 LEU 26 HD12 LEU 26 -8.449 1.681 -0.036 220 HD13 LEU 26 HD13 LEU 26 -8.313 1.233 1.666 221 HD21 LEU 26 HD21 LEU 26 -5.769 2.879 2.284 222 HD22 LEU 26 HD22 LEU 26 -7.225 2.681 3.249 223 HD23 LEU 26 HD23 LEU 26 -6.683 4.298 2.805 224 H LYS 27 HN LYS 27 -7.174 5.993 -2.181 225 HA LYS 27 HA LYS 27 -4.624 6.245 -3.264 226 HB2 LYS 27 HB2 LYS 27 -6.668 6.187 -4.599 227 HB3 LYS 27 HB1 LYS 27 -7.130 7.754 -3.961 228 HG2 LYS 27 HG2 LYS 27 -5.011 8.659 -4.982 229 HG3 LYS 27 HG1 LYS 27 -4.821 7.105 -5.792 230 HD2 LYS 27 HD2 LYS 27 -5.861 8.619 -7.330 231 HD3 LYS 27 HD1 LYS 27 -7.082 7.458 -6.803 232 HE2 LYS 27 HE2 LYS 27 -7.950 9.096 -5.194 233 HE3 LYS 27 HE1 LYS 27 -6.709 10.238 -5.687 234 HZ1 LYS 27 HZ1 LYS 27 -8.853 9.160 -7.462 235 HZ2 LYS 27 HZ2 LYS 27 -7.683 10.266 -7.903 236 HZ3 LYS 27 HZ3 LYS 27 -8.841 10.691 -6.769 237 H LYS 28 HN LYS 28 -6.701 8.697 -1.769 238 HA LYS 28 HA LYS 28 -4.959 10.888 -2.160 239 HB2 LYS 28 HB2 LYS 28 -7.108 10.490 -0.082 240 HB3 LYS 28 HB1 LYS 28 -6.294 12.015 -0.394 241 HG2 LYS 28 HG2 LYS 28 -7.207 12.069 -2.624 242 HG3 LYS 28 HG1 LYS 28 -7.957 10.490 -2.369 243 HD2 LYS 28 HD2 LYS 28 -9.217 11.432 -0.480 244 HD3 LYS 28 HD1 LYS 28 -8.544 13.022 -0.849 245 HE2 LYS 28 HE2 LYS 28 -10.184 11.323 -2.681 246 HE3 LYS 28 HE1 LYS 28 -10.803 12.675 -1.738 247 HZ1 LYS 28 HZ1 LYS 28 -10.383 13.359 -3.987 248 HZ2 LYS 28 HZ2 LYS 28 -8.778 12.845 -3.936 249 HZ3 LYS 28 HZ3 LYS 28 -9.279 14.140 -2.986 250 H LYS 29 HN LYS 29 -5.261 8.520 0.375 251 HA LYS 29 HA LYS 29 -3.414 9.756 2.138 252 HB2 LYS 29 HB2 LYS 29 -3.851 6.761 2.052 253 HB3 LYS 29 HB1 LYS 29 -3.329 7.725 3.413 254 HG2 LYS 29 HG2 LYS 29 -6.089 7.496 2.236 255 HG3 LYS 29 HG1 LYS 29 -5.551 7.005 3.834 256 HD2 LYS 29 HD2 LYS 29 -5.735 9.842 2.814 257 HD3 LYS 29 HD1 LYS 29 -6.908 9.056 3.862 258 HE2 LYS 29 HE2 LYS 29 -4.023 9.558 4.526 259 HE3 LYS 29 HE1 LYS 29 -5.401 10.540 5.032 260 HZ1 LYS 29 HZ1 LYS 29 -4.657 9.004 6.759 261 HZ2 LYS 29 HZ2 LYS 29 -4.990 7.682 5.789 262 HZ3 LYS 29 HZ3 LYS 29 -6.238 8.684 6.317 263 H LEU 30 HN LEU 30 -3.066 7.540 -0.512 264 HA LEU 30 HA LEU 30 -0.286 7.109 -0.230 265 HB2 LEU 30 HB2 LEU 30 -1.980 7.053 -2.724 266 HB3 LEU 30 HB1 LEU 30 -0.368 6.393 -2.575 267 HG LEU 30 HG LEU 30 -2.827 5.399 -1.141 268 HD11 LEU 30 HD11 LEU 30 -2.831 4.878 -3.508 269 HD12 LEU 30 HD12 LEU 30 -2.573 3.429 -2.536 270 HD13 LEU 30 HD13 LEU 30 -1.214 4.191 -3.363 271 HD21 LEU 30 HD21 LEU 30 -0.860 5.123 0.235 272 HD22 LEU 30 HD22 LEU 30 0.011 4.374 -1.106 273 HD23 LEU 30 HD23 LEU 30 -1.384 3.561 -0.392 274 H VAL 31 HN VAL 31 -2.230 9.472 -1.956 275 HA VAL 31 HA VAL 31 -0.166 10.774 -3.325 276 HB VAL 31 HB VAL 31 -2.859 11.857 -2.391 277 HG11 VAL 31 HG11 VAL 31 -2.556 13.651 -4.024 278 HG12 VAL 31 HG12 VAL 31 -0.915 13.081 -4.356 279 HG13 VAL 31 HG13 VAL 31 -1.328 13.716 -2.761 280 HG21 VAL 31 HG21 VAL 31 -2.984 10.019 -3.920 281 HG22 VAL 31 HG22 VAL 31 -1.900 10.838 -5.051 282 HG23 VAL 31 HG23 VAL 31 -3.501 11.509 -4.709 283 H GLU 32 HN GLU 32 -1.559 11.498 -0.138 284 HA GLU 32 HA GLU 32 0.225 13.650 0.361 285 HB2 GLU 32 HB2 GLU 32 -0.490 13.455 2.735 286 HB3 GLU 32 HB1 GLU 32 -1.834 13.555 1.602 287 HG2 GLU 32 HG2 GLU 32 -2.195 11.216 1.752 288 HG3 GLU 32 HG1 GLU 32 -0.782 11.013 2.776 289 H VAL 33 HN VAL 33 0.378 10.202 1.011 290 HA VAL 33 HA VAL 33 2.570 10.418 2.742 291 HB VAL 33 HB VAL 33 0.891 8.407 2.412 292 HG11 VAL 33 HG11 VAL 33 1.534 7.828 0.149 293 HG12 VAL 33 HG12 VAL 33 1.788 6.486 1.267 294 HG13 VAL 33 HG13 VAL 33 3.161 7.440 0.707 295 HG21 VAL 33 HG21 VAL 33 2.528 6.916 3.562 296 HG22 VAL 33 HG22 VAL 33 2.365 8.528 4.250 297 HG23 VAL 33 HG23 VAL 33 3.760 8.146 3.250 298 H LEU 34 HN LEU 34 2.314 10.226 -0.680 299 HA LEU 34 HA LEU 34 4.855 9.406 -1.394 300 HB2 LEU 34 HB2 LEU 34 2.995 11.314 -2.752 301 HB3 LEU 34 HB1 LEU 34 4.555 10.913 -3.430 302 HG LEU 34 HG LEU 34 2.323 8.949 -2.890 303 HD11 LEU 34 HD11 LEU 34 3.378 10.101 -5.469 304 HD12 LEU 34 HD12 LEU 34 1.828 10.486 -4.726 305 HD13 LEU 34 HD13 LEU 34 2.138 8.855 -5.329 306 HD21 LEU 34 HD21 LEU 34 4.500 7.877 -2.681 307 HD22 LEU 34 HD22 LEU 34 5.026 8.615 -4.190 308 HD23 LEU 34 HD23 LEU 34 3.752 7.400 -4.208 309 H GLU 35 HN GLU 35 4.071 12.488 0.072 310 HA GLU 35 HA GLU 35 6.476 13.736 -0.873 311 HB2 GLU 35 HB2 GLU 35 6.083 15.472 0.788 312 HB3 GLU 35 HB1 GLU 35 4.583 15.090 -0.033 313 HG2 GLU 35 HG2 GLU 35 3.810 13.821 1.849 314 HG3 GLU 35 HG1 GLU 35 5.364 14.010 2.658 315 H SER 36 HN SER 36 5.744 11.496 1.635 316 HA SER 36 HA SER 36 8.482 11.073 2.242 317 HB2 SER 36 HB2 SER 36 8.220 11.536 4.706 318 HB3 SER 36 HB1 SER 36 8.180 12.991 3.708 319 HG SER 36 HG SER 36 5.898 11.582 4.571 320 HA PRO 37 HA PRO 37 5.517 7.558 2.794 321 HB2 PRO 37 HB2 PRO 37 6.558 5.819 1.036 322 HB3 PRO 37 HB1 PRO 37 5.474 7.118 0.530 323 HG2 PRO 37 HG2 PRO 37 8.450 6.961 0.347 324 HG3 PRO 37 HG1 PRO 37 7.284 7.607 -0.821 325 HD2 PRO 37 HD2 PRO 37 8.769 9.167 0.902 326 HD3 PRO 37 HD1 PRO 37 7.217 9.653 0.196 327 H ARG 38 HN ARG 38 8.694 8.083 3.295 328 HA ARG 38 HA ARG 38 9.185 5.466 4.409 329 HB2 ARG 38 HB2 ARG 38 11.544 6.366 4.777 330 HB3 ARG 38 HB1 ARG 38 11.031 6.104 3.125 331 HG2 ARG 38 HG2 ARG 38 12.213 8.128 3.064 332 HG3 ARG 38 HG1 ARG 38 10.530 8.613 3.071 333 HD2 ARG 38 HD2 ARG 38 11.868 9.995 4.555 334 HD3 ARG 38 HD1 ARG 38 10.656 9.085 5.462 335 HE ARG 38 HE ARG 38 13.134 7.703 5.347 336 HH11 ARG 38 HH11 ARG 38 11.558 10.421 6.987 337 HH12 ARG 38 HH12 ARG 38 12.475 10.255 8.420 338 HH21 ARG 38 HH21 ARG 38 14.418 7.525 7.321 339 HH22 ARG 38 HH22 ARG 38 14.103 8.614 8.598 340 H ILE 39 HN ILE 39 7.236 6.750 5.673 341 HA ILE 39 HA ILE 39 8.263 7.935 8.107 342 HB ILE 39 HB ILE 39 5.412 7.226 7.278 343 HG12 ILE 39 HG12 ILE 39 6.786 9.902 7.561 344 HG13 ILE 39 HG11 ILE 39 6.489 9.077 6.039 345 HG21 ILE 39 HG21 ILE 39 4.639 8.470 9.233 346 HG22 ILE 39 HG22 ILE 39 6.299 8.770 9.719 347 HG23 ILE 39 HG23 ILE 39 5.662 7.120 9.738 348 HD11 ILE 39 HD11 ILE 39 4.395 10.146 7.932 349 HD12 ILE 39 HD12 ILE 39 4.074 9.275 6.428 350 HD13 ILE 39 HD13 ILE 39 4.892 10.835 6.381 351 H GLU 40 HN GLU 40 9.430 6.474 9.068 352 HA GLU 40 HA GLU 40 9.082 3.760 9.180 353 HB2 GLU 40 HB2 GLU 40 10.749 3.816 11.066 354 HB3 GLU 40 HB1 GLU 40 11.228 4.613 9.578 355 HG2 GLU 40 HG2 GLU 40 10.628 6.785 10.585 356 HG3 GLU 40 HG1 GLU 40 10.249 5.952 12.090 357 H ALA 41 HN ALA 41 7.454 6.072 11.040 358 HA ALA 41 HA ALA 41 6.697 4.529 13.276 359 HB1 ALA 41 HB1 ALA 41 6.362 6.957 13.121 360 HB2 ALA 41 HB2 ALA 41 4.863 6.116 13.524 361 HB3 ALA 41 HB3 ALA 41 5.131 6.702 11.885 362 H ASN 42 HN ASN 42 5.516 4.621 9.977 363 HA ASN 42 HA ASN 42 3.227 2.889 10.654 364 HB2 ASN 42 HB2 ASN 42 3.868 4.429 8.128 365 HB3 ASN 42 HB1 ASN 42 2.489 3.357 8.309 366 HD21 ASN 42 HD21 ASN 42 2.607 6.193 7.712 367 HD22 ASN 42 HD22 ASN 42 1.687 6.984 8.932 368 H LYS 43 HN LYS 43 6.318 2.350 10.104 369 HA LYS 43 HA LYS 43 6.264 0.672 7.859 370 HB2 LYS 43 HB2 LYS 43 8.051 2.193 8.793 371 HB3 LYS 43 HB1 LYS 43 8.350 0.931 9.982 372 HG2 LYS 43 HG2 LYS 43 8.910 -0.590 8.315 373 HG3 LYS 43 HG1 LYS 43 8.315 0.546 7.075 374 HD2 LYS 43 HD2 LYS 43 10.067 2.176 7.867 375 HD3 LYS 43 HD1 LYS 43 10.765 0.857 8.813 376 HE2 LYS 43 HE2 LYS 43 11.254 -0.390 6.842 377 HE3 LYS 43 HE1 LYS 43 10.274 0.711 5.872 378 HZ1 LYS 43 HZ1 LYS 43 12.575 1.157 5.544 379 HZ2 LYS 43 HZ2 LYS 43 12.836 1.409 7.200 380 HZ3 LYS 43 HZ3 LYS 43 11.864 2.467 6.318 381 H LEU 44 HN LEU 44 6.392 -1.511 7.908 382 HA LEU 44 HA LEU 44 5.250 -2.818 10.187 383 HB2 LEU 44 HB2 LEU 44 6.187 -3.858 7.535 384 HB3 LEU 44 HB1 LEU 44 5.351 -4.836 8.737 385 HG LEU 44 HG LEU 44 4.242 -2.458 7.245 386 HD11 LEU 44 HD11 LEU 44 4.384 -4.463 5.881 387 HD12 LEU 44 HD12 LEU 44 2.711 -4.062 6.302 388 HD13 LEU 44 HD13 LEU 44 3.535 -5.369 7.143 389 HD21 LEU 44 HD21 LEU 44 3.372 -2.515 9.493 390 HD22 LEU 44 HD22 LEU 44 2.956 -4.224 9.304 391 HD23 LEU 44 HD23 LEU 44 2.151 -2.994 8.319 392 H ARG 45 HN ARG 45 6.209 -4.651 11.191 393 HA ARG 45 HA ARG 45 8.686 -3.926 12.259 394 HB2 ARG 45 HB2 ARG 45 6.792 -5.169 13.384 395 HB3 ARG 45 HB1 ARG 45 7.383 -6.609 12.573 396 HG2 ARG 45 HG2 ARG 45 8.188 -6.548 14.838 397 HG3 ARG 45 HG1 ARG 45 9.546 -6.343 13.721 398 HD2 ARG 45 HD2 ARG 45 9.565 -3.975 14.101 399 HD3 ARG 45 HD1 ARG 45 8.098 -4.070 15.065 400 HE ARG 45 HE ARG 45 10.249 -5.653 16.067 401 HH11 ARG 45 HH11 ARG 45 8.732 -2.465 16.103 402 HH12 ARG 45 HH12 ARG 45 9.528 -1.905 17.499 403 HH21 ARG 45 HH21 ARG 45 11.349 -4.913 18.045 404 HH22 ARG 45 HH22 ARG 45 11.044 -3.348 18.637 405 H GLY 46 HN GLY 46 8.056 -7.161 10.800 406 HA2 GLY 46 HA2 GLY 46 10.908 -7.219 10.102 407 HA3 GLY 46 HA1 GLY 46 9.887 -8.628 10.363 408 H MET 47 HN MET 47 9.353 -5.745 8.412 409 HA MET 47 HA MET 47 9.135 -7.499 6.068 410 HB2 MET 47 HB2 MET 47 7.435 -5.117 6.756 411 HB3 MET 47 HB1 MET 47 7.315 -6.032 5.264 412 HG2 MET 47 HG2 MET 47 6.807 -7.200 7.995 413 HG3 MET 47 HG1 MET 47 5.554 -6.542 6.944 414 HE1 MET 47 HE1 MET 47 4.650 -7.687 4.809 415 HE2 MET 47 HE2 MET 47 5.442 -9.029 3.994 416 HE3 MET 47 HE3 MET 47 6.241 -7.457 4.079 417 HA PRO 48 HA PRO 48 12.361 -4.747 4.693 418 HB2 PRO 48 HB2 PRO 48 12.224 -5.398 2.010 419 HB3 PRO 48 HB1 PRO 48 13.115 -6.319 3.225 420 HG2 PRO 48 HG2 PRO 48 10.398 -6.818 2.084 421 HG3 PRO 48 HG1 PRO 48 11.674 -7.982 2.483 422 HD2 PRO 48 HD2 PRO 48 9.535 -7.604 4.075 423 HD3 PRO 48 HD1 PRO 48 11.144 -7.971 4.738 424 H ASP 49 HN ASP 49 11.527 -2.809 5.022 425 HA ASP 49 HA ASP 49 10.651 -0.791 4.689 426 HB2 ASP 49 HB2 ASP 49 11.559 -1.430 1.899 427 HB3 ASP 49 HB1 ASP 49 10.829 0.121 2.285 428 H CYS 50 HN CYS 50 8.684 -2.667 4.929 429 HA CYS 50 HA CYS 50 6.683 -1.798 2.986 430 HB2 CYS 50 HB2 CYS 50 6.486 -3.929 5.116 431 HB3 CYS 50 HB1 CYS 50 5.331 -3.627 3.822 432 HG CYS 50 HG CYS 50 8.392 -4.220 2.645 433 H TYR 51 HN TYR 51 4.869 -0.709 3.631 434 HA TYR 51 HA TYR 51 4.735 0.225 6.401 435 HB2 TYR 51 HB2 TYR 51 4.432 1.953 3.917 436 HB3 TYR 51 HB1 TYR 51 4.161 2.468 5.576 437 HD1 TYR 51 HD1 TYR 51 6.809 1.218 3.284 438 HD2 TYR 51 HD2 TYR 51 5.914 3.385 6.813 439 HE1 TYR 51 HE1 TYR 51 9.152 1.921 3.446 440 HE2 TYR 51 HE2 TYR 51 8.259 4.092 6.971 441 HH TYR 51 HH TYR 51 10.517 3.640 4.435 442 H LYS 52 HN LYS 52 2.621 0.985 6.925 443 HA LYS 52 HA LYS 52 0.494 -0.096 5.213 444 HB2 LYS 52 HB2 LYS 52 -0.682 -0.716 7.316 445 HB3 LYS 52 HB1 LYS 52 0.820 -1.609 7.079 446 HG2 LYS 52 HG2 LYS 52 1.971 -0.082 8.607 447 HG3 LYS 52 HG1 LYS 52 0.468 0.809 8.808 448 HD2 LYS 52 HD2 LYS 52 -0.552 -1.005 9.949 449 HD3 LYS 52 HD1 LYS 52 0.787 -2.090 9.555 450 HE2 LYS 52 HE2 LYS 52 2.301 -0.781 10.852 451 HE3 LYS 52 HE1 LYS 52 1.069 0.435 11.144 452 HZ1 LYS 52 HZ1 LYS 52 1.118 -2.356 12.176 453 HZ2 LYS 52 HZ2 LYS 52 -0.178 -1.299 12.361 454 HZ3 LYS 52 HZ3 LYS 52 1.290 -0.932 13.069 455 H ILE 53 HN ILE 53 -1.299 1.156 5.079 456 HA ILE 53 HA ILE 53 -1.461 3.502 6.818 457 HB ILE 53 HB ILE 53 -2.217 3.385 3.870 458 HG12 ILE 53 HG12 ILE 53 -0.236 5.159 5.316 459 HG13 ILE 53 HG11 ILE 53 0.187 3.810 4.262 460 HG21 ILE 53 HG21 ILE 53 -2.988 5.708 4.099 461 HG22 ILE 53 HG22 ILE 53 -2.700 5.631 5.836 462 HG23 ILE 53 HG23 ILE 53 -3.930 4.603 5.101 463 HD11 ILE 53 HD11 ILE 53 -0.853 5.015 2.384 464 HD12 ILE 53 HD12 ILE 53 0.467 5.928 3.121 465 HD13 ILE 53 HD13 ILE 53 -1.205 6.361 3.464 466 H LYS 54 HN LYS 54 -3.327 3.561 7.896 467 HA LYS 54 HA LYS 54 -5.399 1.849 6.824 468 HB2 LYS 54 HB2 LYS 54 -6.409 1.481 8.952 469 HB3 LYS 54 HB1 LYS 54 -4.688 1.253 9.188 470 HG2 LYS 54 HG2 LYS 54 -6.213 3.740 9.907 471 HG3 LYS 54 HG1 LYS 54 -5.844 2.428 11.020 472 HD2 LYS 54 HD2 LYS 54 -3.475 2.847 10.771 473 HD3 LYS 54 HD1 LYS 54 -3.821 4.065 9.534 474 HE2 LYS 54 HE2 LYS 54 -3.379 5.131 11.634 475 HE3 LYS 54 HE1 LYS 54 -5.050 5.336 11.073 476 HZ1 LYS 54 HZ1 LYS 54 -4.219 3.350 13.128 477 HZ2 LYS 54 HZ2 LYS 54 -5.787 3.663 12.633 478 HZ3 LYS 54 HZ3 LYS 54 -4.935 4.821 13.487 479 H LEU 55 HN LEU 55 -7.427 2.608 6.493 480 HA LEU 55 HA LEU 55 -7.562 5.425 5.933 481 HB2 LEU 55 HB2 LEU 55 -8.633 3.204 4.818 482 HB3 LEU 55 HB1 LEU 55 -9.936 3.626 5.894 483 HG LEU 55 HG LEU 55 -8.857 5.298 3.625 484 HD11 LEU 55 HD11 LEU 55 -10.181 3.423 2.912 485 HD12 LEU 55 HD12 LEU 55 -11.053 4.932 2.644 486 HD13 LEU 55 HD13 LEU 55 -11.481 3.893 4.003 487 HD21 LEU 55 HD21 LEU 55 -11.112 5.898 5.524 488 HD22 LEU 55 HD22 LEU 55 -10.703 6.835 4.086 489 HD23 LEU 55 HD23 LEU 55 -9.575 6.753 5.443 490 H ARG 56 HN ARG 56 -8.684 6.924 7.241 491 HA ARG 56 HA ARG 56 -9.273 6.215 9.909 492 HB2 ARG 56 HB2 ARG 56 -8.664 8.504 9.311 493 HB3 ARG 56 HB1 ARG 56 -10.093 8.643 8.302 494 HG2 ARG 56 HG2 ARG 56 -11.517 8.448 10.270 495 HG3 ARG 56 HG1 ARG 56 -10.085 8.296 11.290 496 HD2 ARG 56 HD2 ARG 56 -9.353 10.501 10.661 497 HD3 ARG 56 HD1 ARG 56 -10.689 10.655 9.523 498 HE ARG 56 HE ARG 56 -11.988 10.197 11.784 499 HH11 ARG 56 HH11 ARG 56 -9.246 12.390 11.249 500 HH12 ARG 56 HH12 ARG 56 -9.833 13.609 12.257 501 HH21 ARG 56 HH21 ARG 56 -12.797 11.893 13.181 502 HH22 ARG 56 HH22 ARG 56 -11.918 13.335 13.372 503 H SER 57 HN SER 57 -11.344 6.908 7.125 504 HA SER 57 HA SER 57 -13.755 6.229 8.456 505 HB2 SER 57 HB2 SER 57 -13.200 6.403 5.485 506 HB3 SER 57 HB1 SER 57 -14.736 6.661 6.315 507 HG SER 57 HG SER 57 -13.759 8.472 7.356 508 H SER 58 HN SER 58 -14.468 4.203 8.810 509 HA SER 58 HA SER 58 -14.843 2.006 8.725 510 HB2 SER 58 HB2 SER 58 -13.734 2.199 5.915 511 HB3 SER 58 HB1 SER 58 -14.629 0.816 6.563 512 HG SER 58 HG SER 58 -15.790 3.326 6.806 513 H GLY 59 HN GLY 59 -13.432 -0.232 7.918 514 HA2 GLY 59 HA2 GLY 59 -10.937 0.188 9.405 515 HA3 GLY 59 HA1 GLY 59 -11.871 -1.302 9.401 516 H TYR 60 HN TYR 60 -10.882 0.741 6.719 517 HA TYR 60 HA TYR 60 -9.786 -1.619 5.430 518 HB2 TYR 60 HB2 TYR 60 -10.501 1.101 4.364 519 HB3 TYR 60 HB1 TYR 60 -9.586 -0.064 3.418 520 HD1 TYR 60 HD2 TYR 60 -12.839 0.560 5.047 521 HD2 TYR 60 HD1 TYR 60 -10.659 -1.916 2.375 522 HE1 TYR 60 HE2 TYR 60 -14.940 -0.486 4.311 523 HE2 TYR 60 HE1 TYR 60 -12.748 -2.973 1.637 524 HH TYR 60 HH TYR 60 -15.790 -1.687 2.359 525 H ARG 61 HN ARG 61 -7.745 -1.888 4.844 526 HA ARG 61 HA ARG 61 -5.772 0.113 5.682 527 HB2 ARG 61 HB2 ARG 61 -5.706 -2.833 6.350 528 HB3 ARG 61 HB1 ARG 61 -4.452 -1.661 6.744 529 HG2 ARG 61 HG2 ARG 61 -5.826 -0.546 8.288 530 HG3 ARG 61 HG1 ARG 61 -7.276 -1.357 7.700 531 HD2 ARG 61 HD2 ARG 61 -6.732 -2.364 9.740 532 HD3 ARG 61 HD1 ARG 61 -6.284 -3.458 8.437 533 HE ARG 61 HE ARG 61 -3.933 -2.668 8.784 534 HH11 ARG 61 HH11 ARG 61 -6.227 -2.425 11.488 535 HH12 ARG 61 HH12 ARG 61 -5.030 -2.648 12.674 536 HH21 ARG 61 HH21 ARG 61 -2.322 -2.952 10.424 537 HH22 ARG 61 HH22 ARG 61 -2.762 -2.963 12.073 538 H LEU 62 HN LEU 62 -3.969 0.157 4.436 539 HA LEU 62 HA LEU 62 -3.853 -1.659 2.133 540 HB2 LEU 62 HB2 LEU 62 -4.743 0.610 1.592 541 HB3 LEU 62 HB1 LEU 62 -3.304 1.321 2.257 542 HG LEU 62 HG LEU 62 -3.173 -0.488 -0.160 543 HD11 LEU 62 HD11 LEU 62 -3.582 2.506 -0.096 544 HD12 LEU 62 HD12 LEU 62 -4.763 1.309 -0.631 545 HD13 LEU 62 HD13 LEU 62 -3.264 1.530 -1.531 546 HD21 LEU 62 HD21 LEU 62 -1.432 1.739 0.876 547 HD22 LEU 62 HD22 LEU 62 -1.155 0.844 -0.619 548 HD23 LEU 62 HD23 LEU 62 -1.053 0.015 0.938 549 H VAL 63 HN VAL 63 -1.800 -2.461 1.662 550 HA VAL 63 HA VAL 63 0.400 -1.523 3.374 551 HB VAL 63 HB VAL 63 -0.106 -4.398 2.527 552 HG11 VAL 63 HG11 VAL 63 2.016 -3.243 4.340 553 HG12 VAL 63 HG12 VAL 63 2.278 -3.898 2.722 554 HG13 VAL 63 HG13 VAL 63 1.760 -4.958 4.029 555 HG21 VAL 63 HG21 VAL 63 -0.532 -4.834 4.904 556 HG22 VAL 63 HG22 VAL 63 -1.693 -3.687 4.234 557 HG23 VAL 63 HG23 VAL 63 -0.361 -3.111 5.237 558 H TYR 64 HN TYR 64 2.208 -1.020 2.341 559 HA TYR 64 HA TYR 64 2.638 -1.953 -0.384 560 HB2 TYR 64 HB2 TYR 64 3.219 0.324 -1.150 561 HB3 TYR 64 HB1 TYR 64 1.533 0.186 -0.693 562 HD1 TYR 64 HD2 TYR 64 4.833 1.386 0.617 563 HD2 TYR 64 HD1 TYR 64 0.612 1.724 0.752 564 HE1 TYR 64 HE2 TYR 64 5.049 3.371 2.041 565 HE2 TYR 64 HE1 TYR 64 0.804 3.700 2.159 566 HH TYR 64 HH TYR 64 2.430 4.681 3.722 567 H GLN 65 HN GLN 65 4.854 -1.644 -1.075 568 HA GLN 65 HA GLN 65 6.634 -1.138 1.187 569 HB2 GLN 65 HB2 GLN 65 8.248 -2.733 0.314 570 HB3 GLN 65 HB1 GLN 65 6.708 -3.518 0.610 571 HG2 GLN 65 HG2 GLN 65 6.217 -3.516 -1.768 572 HG3 GLN 65 HG1 GLN 65 7.711 -2.645 -2.095 573 HE21 GLN 65 HE21 GLN 65 9.240 -4.208 -0.082 574 HE22 GLN 65 HE22 GLN 65 9.460 -5.757 -0.809 575 H VAL 66 HN VAL 66 8.329 0.176 0.870 576 HA VAL 66 HA VAL 66 8.180 1.580 -1.669 577 HB VAL 66 HB VAL 66 9.269 3.474 -0.698 578 HG11 VAL 66 HG11 VAL 66 6.932 3.380 -0.187 579 HG12 VAL 66 HG12 VAL 66 7.812 4.112 1.155 580 HG13 VAL 66 HG13 VAL 66 7.262 2.445 1.269 581 HG21 VAL 66 HG21 VAL 66 10.994 2.507 0.650 582 HG22 VAL 66 HG22 VAL 66 9.813 1.750 1.689 583 HG23 VAL 66 HG23 VAL 66 10.006 3.512 1.725 584 H ILE 67 HN ILE 67 9.593 1.203 -3.154 585 HA ILE 67 HA ILE 67 12.008 -0.205 -2.362 586 HB ILE 67 HB ILE 67 11.016 0.300 -5.183 587 HG12 ILE 67 HG12 ILE 67 10.555 -2.177 -3.503 588 HG13 ILE 67 HG11 ILE 67 9.321 -0.966 -3.845 589 HG21 ILE 67 HG21 ILE 67 12.480 -1.619 -5.702 590 HG22 ILE 67 HG22 ILE 67 12.932 -1.722 -4.002 591 HG23 ILE 67 HG23 ILE 67 13.370 -0.298 -4.946 592 HD11 ILE 67 HD11 ILE 67 10.732 -2.680 -5.868 593 HD12 ILE 67 HD12 ILE 67 9.526 -1.450 -6.226 594 HD13 ILE 67 HD13 ILE 67 9.072 -2.888 -5.300 595 H ASP 68 HN ASP 68 13.259 1.411 -1.647 596 HA ASP 68 HA ASP 68 13.429 4.020 -2.790 597 HB2 ASP 68 HB2 ASP 68 14.024 3.405 -0.411 598 HB3 ASP 68 HB1 ASP 68 15.470 2.624 -1.039 599 H GLU 69 HN GLU 69 14.994 1.037 -3.261 600 HA GLU 69 HA GLU 69 17.286 1.635 -4.734 601 HB2 GLU 69 HB2 GLU 69 15.397 -0.646 -5.299 602 HB3 GLU 69 HB1 GLU 69 17.123 -0.595 -5.588 603 HG2 GLU 69 HG2 GLU 69 17.573 -0.663 -3.226 604 HG3 GLU 69 HG1 GLU 69 15.852 -0.541 -2.858 605 H LYS 70 HN LYS 70 13.908 1.371 -5.691 606 HA LYS 70 HA LYS 70 14.602 2.021 -8.464 607 HB2 LYS 70 HB2 LYS 70 12.164 0.718 -7.300 608 HB3 LYS 70 HB1 LYS 70 12.347 1.120 -9.009 609 HG2 LYS 70 HG2 LYS 70 14.199 -0.456 -9.157 610 HG3 LYS 70 HG1 LYS 70 14.055 -0.797 -7.429 611 HD2 LYS 70 HD2 LYS 70 11.737 -1.590 -7.813 612 HD3 LYS 70 HD1 LYS 70 11.955 -1.299 -9.536 613 HE2 LYS 70 HE2 LYS 70 13.756 -2.943 -9.594 614 HE3 LYS 70 HE1 LYS 70 13.576 -3.207 -7.863 615 HZ1 LYS 70 HZ1 LYS 70 11.458 -3.730 -9.875 616 HZ2 LYS 70 HZ2 LYS 70 11.377 -4.097 -8.226 617 HZ3 LYS 70 HZ3 LYS 70 12.454 -4.900 -9.214 618 H VAL 71 HN VAL 71 13.526 3.468 -5.701 619 HA VAL 71 HA VAL 71 12.466 5.356 -5.111 620 HB VAL 71 HB VAL 71 12.667 6.214 -8.046 621 HG11 VAL 71 HG11 VAL 71 11.299 7.729 -6.710 622 HG12 VAL 71 HG12 VAL 71 12.811 8.516 -7.159 623 HG13 VAL 71 HG13 VAL 71 12.593 7.891 -5.527 624 HG21 VAL 71 HG21 VAL 71 14.845 7.219 -7.498 625 HG22 VAL 71 HG22 VAL 71 14.863 5.467 -7.286 626 HG23 VAL 71 HG23 VAL 71 14.749 6.523 -5.881 627 H VAL 72 HN VAL 72 10.890 3.063 -5.872 628 HA VAL 72 HA VAL 72 8.407 4.431 -6.559 629 HB VAL 72 HB VAL 72 9.106 3.302 -8.623 630 HG11 VAL 72 HG11 VAL 72 9.121 0.766 -7.035 631 HG12 VAL 72 HG12 VAL 72 10.511 1.627 -7.707 632 HG13 VAL 72 HG13 VAL 72 9.324 0.901 -8.789 633 HG21 VAL 72 HG21 VAL 72 7.124 1.905 -9.056 634 HG22 VAL 72 HG22 VAL 72 6.690 3.384 -8.195 635 HG23 VAL 72 HG23 VAL 72 6.791 1.855 -7.329 636 H VAL 73 HN VAL 73 6.636 3.780 -5.529 637 HA VAL 73 HA VAL 73 6.955 1.948 -3.288 638 HB VAL 73 HB VAL 73 4.852 4.034 -3.900 639 HG11 VAL 73 HG11 VAL 73 5.317 2.440 -1.398 640 HG12 VAL 73 HG12 VAL 73 3.966 2.276 -2.520 641 HG13 VAL 73 HG13 VAL 73 4.152 3.753 -1.577 642 HG21 VAL 73 HG21 VAL 73 5.894 5.346 -2.075 643 HG22 VAL 73 HG22 VAL 73 6.937 5.126 -3.476 644 HG23 VAL 73 HG23 VAL 73 7.212 4.167 -2.026 645 H PHE 74 HN PHE 74 6.042 -0.011 -3.544 646 HA PHE 74 HA PHE 74 3.945 -0.317 -5.576 647 HB2 PHE 74 HB2 PHE 74 6.115 -2.138 -4.683 648 HB3 PHE 74 HB1 PHE 74 4.583 -2.856 -5.154 649 HD1 PHE 74 HD2 PHE 74 7.466 -0.913 -6.310 650 HD2 PHE 74 HD1 PHE 74 3.879 -2.896 -7.411 651 HE1 PHE 74 HE2 PHE 74 8.132 -0.810 -8.678 652 HE2 PHE 74 HE1 PHE 74 4.535 -2.797 -9.772 653 HZ PHE 74 HZ PHE 74 6.666 -1.751 -10.409 654 H VAL 75 HN VAL 75 2.005 -0.532 -4.867 655 HA VAL 75 HA VAL 75 1.415 -1.283 -2.168 656 HB VAL 75 HB VAL 75 -0.451 -1.038 -4.562 657 HG11 VAL 75 HG11 VAL 75 -1.099 -1.160 -1.617 658 HG12 VAL 75 HG12 VAL 75 -1.448 -2.406 -2.814 659 HG13 VAL 75 HG13 VAL 75 -2.260 -0.845 -2.904 660 HG21 VAL 75 HG21 VAL 75 -1.041 1.161 -3.629 661 HG22 VAL 75 HG22 VAL 75 0.663 1.069 -4.073 662 HG23 VAL 75 HG23 VAL 75 0.187 0.949 -2.381 663 H ILE 76 HN ILE 76 1.167 -3.270 -1.403 664 HA ILE 76 HA ILE 76 1.580 -5.475 -3.270 665 HB ILE 76 HB ILE 76 1.641 -5.492 -0.239 666 HG12 ILE 76 HG12 ILE 76 3.958 -5.389 -2.192 667 HG13 ILE 76 HG11 ILE 76 3.402 -4.036 -1.212 668 HG21 ILE 76 HG21 ILE 76 2.534 -7.519 -2.283 669 HG22 ILE 76 HG22 ILE 76 1.213 -7.696 -1.123 670 HG23 ILE 76 HG23 ILE 76 2.888 -7.615 -0.563 671 HD11 ILE 76 HD11 ILE 76 5.377 -5.085 -0.252 672 HD12 ILE 76 HD12 ILE 76 4.528 -6.629 -0.161 673 HD13 ILE 76 HD13 ILE 76 3.986 -5.263 0.817 674 H SER 77 HN SER 77 -0.666 -4.403 -0.723 675 HA SER 77 HA SER 77 -2.760 -6.002 -1.847 676 HB2 SER 77 HB2 SER 77 -1.529 -7.597 -0.336 677 HB3 SER 77 HB1 SER 77 -1.818 -6.494 1.006 678 HG SER 77 HG SER 77 -3.993 -7.345 -0.528 679 H VAL 78 HN VAL 78 -4.793 -5.316 -1.014 680 HA VAL 78 HA VAL 78 -4.822 -3.144 0.859 681 HB VAL 78 HB VAL 78 -4.348 -1.913 -1.185 682 HG11 VAL 78 HG11 VAL 78 -5.078 -3.506 -2.840 683 HG12 VAL 78 HG12 VAL 78 -5.822 -1.935 -3.130 684 HG13 VAL 78 HG13 VAL 78 -6.761 -3.232 -2.394 685 HG21 VAL 78 HG21 VAL 78 -6.284 -0.420 -1.300 686 HG22 VAL 78 HG22 VAL 78 -5.873 -0.844 0.362 687 HG23 VAL 78 HG23 VAL 78 -7.250 -1.614 -0.428 688 H GLY 79 HN GLY 79 -6.657 -3.195 2.074 689 HA2 GLY 79 HA2 GLY 79 -9.188 -3.557 1.228 690 HA3 GLY 79 HA1 GLY 79 -8.586 -5.195 1.469 691 H LYS 80 HN LYS 80 -8.699 -5.991 3.407 692 HA LYS 80 HA LYS 80 -8.859 -4.116 5.659 693 HB2 LYS 80 HB2 LYS 80 -10.602 -6.523 5.213 694 HB3 LYS 80 HB1 LYS 80 -10.555 -5.574 6.683 695 HG2 LYS 80 HG2 LYS 80 -11.430 -3.636 5.475 696 HG3 LYS 80 HG1 LYS 80 -11.468 -4.584 3.984 697 HD2 LYS 80 HD2 LYS 80 -12.954 -5.303 6.506 698 HD3 LYS 80 HD1 LYS 80 -13.675 -4.440 5.147 699 HE2 LYS 80 HE2 LYS 80 -13.360 -6.332 3.706 700 HE3 LYS 80 HE1 LYS 80 -12.391 -7.170 4.907 701 HZ1 LYS 80 HZ1 LYS 80 -15.241 -6.472 5.264 702 HZ2 LYS 80 HZ2 LYS 80 -14.238 -7.421 6.292 703 HZ3 LYS 80 HZ3 LYS 80 -14.657 -7.973 4.758 704 H ALA 81 HN ALA 81 -8.263 -5.098 7.657 705 HA ALA 81 HA ALA 81 -6.403 -7.260 7.243 706 HB1 ALA 81 HB1 ALA 81 -5.680 -6.797 9.558 707 HB2 ALA 81 HB2 ALA 81 -6.932 -5.559 9.694 708 HB3 ALA 81 HB3 ALA 81 -5.610 -5.360 8.546 709 H GLU 82 HN GLU 82 -8.541 -6.559 9.938 710 HA GLU 82 HA GLU 82 -9.928 -7.654 11.239 711 HB2 GLU 82 HB2 GLU 82 -10.825 -9.082 8.721 712 HB3 GLU 82 HB1 GLU 82 -11.745 -8.953 10.217 713 HG2 GLU 82 HG2 GLU 82 -11.600 -6.447 9.926 714 HG3 GLU 82 HG1 GLU 82 -11.015 -6.759 8.300 715 H ALA 83 HN ALA 83 -8.388 -9.899 9.181 716 HA ALA 83 HA ALA 83 -7.869 -11.719 11.424 717 HB1 ALA 83 HB1 ALA 83 -7.921 -13.472 9.648 718 HB2 ALA 83 HB2 ALA 83 -8.435 -12.185 8.530 719 HB3 ALA 83 HB3 ALA 83 -9.473 -12.630 9.879 720 H SER 84 HN SER 84 -6.589 -9.336 10.064 721 HA SER 84 HA SER 84 -4.620 -8.538 9.305 722 HB2 SER 84 HB2 SER 84 -3.553 -11.155 10.401 723 HB3 SER 84 HB1 SER 84 -2.597 -9.709 10.061 724 HG SER 84 HG SER 84 -3.276 -9.987 12.279 725 H GLU 85 HN GLU 85 -6.273 -9.936 7.458 726 HA GLU 85 HA GLU 85 -4.998 -11.815 5.861 727 HB2 GLU 85 HB2 GLU 85 -7.366 -11.481 5.759 728 HB3 GLU 85 HB1 GLU 85 -7.149 -9.830 5.194 729 HG2 GLU 85 HG2 GLU 85 -6.253 -10.616 3.106 730 HG3 GLU 85 HG1 GLU 85 -6.320 -12.284 3.665 731 H VAL 86 HN VAL 86 -5.196 -8.287 5.255 732 HA VAL 86 HA VAL 86 -3.686 -8.357 2.912 733 HB VAL 86 HB VAL 86 -3.177 -5.922 3.287 734 HG11 VAL 86 HG11 VAL 86 -5.190 -6.591 2.131 735 HG12 VAL 86 HG12 VAL 86 -5.514 -5.185 3.144 736 HG13 VAL 86 HG13 VAL 86 -6.033 -6.787 3.668 737 HG21 VAL 86 HG21 VAL 86 -4.260 -4.780 5.176 738 HG22 VAL 86 HG22 VAL 86 -3.031 -5.922 5.725 739 HG23 VAL 86 HG23 VAL 86 -4.740 -6.343 5.838 740 H TYR 87 HN TYR 87 -2.556 -8.658 6.141 741 HA TYR 87 HA TYR 87 0.151 -7.950 5.412 742 HB2 TYR 87 HB2 TYR 87 -0.934 -9.026 8.028 743 HB3 TYR 87 HB1 TYR 87 0.713 -8.459 7.775 744 HD1 TYR 87 HD1 TYR 87 1.120 -6.063 7.262 745 HD2 TYR 87 HD2 TYR 87 -2.718 -7.481 8.408 746 HE1 TYR 87 HE1 TYR 87 0.402 -3.761 7.705 747 HE2 TYR 87 HE2 TYR 87 -3.435 -5.172 8.858 748 HH TYR 87 HH TYR 87 -1.573 -2.504 7.806 749 H SER 88 HN SER 88 -1.834 -10.752 5.831 750 HA SER 88 HA SER 88 0.222 -12.684 5.683 751 HB2 SER 88 HB2 SER 88 -2.689 -12.848 4.873 752 HB3 SER 88 HB1 SER 88 -1.622 -14.224 5.178 753 HG SER 88 HG SER 88 -1.430 -13.539 7.297 754 H GLU 89 HN GLU 89 -1.887 -11.090 3.319 755 HA GLU 89 HA GLU 89 -0.988 -12.386 0.997 756 HB2 GLU 89 HB2 GLU 89 -1.914 -9.521 1.256 757 HB3 GLU 89 HB1 GLU 89 -1.892 -10.469 -0.219 758 HG2 GLU 89 HG2 GLU 89 -3.607 -10.992 2.201 759 HG3 GLU 89 HG1 GLU 89 -4.139 -10.272 0.683 760 H ALA 90 HN ALA 90 0.216 -9.621 2.747 761 HA ALA 90 HA ALA 90 2.188 -8.856 0.886 762 HB1 ALA 90 HB1 ALA 90 3.076 -7.443 2.659 763 HB2 ALA 90 HB2 ALA 90 2.089 -8.298 3.846 764 HB3 ALA 90 HB3 ALA 90 1.317 -7.325 2.594 765 H VAL 91 HN VAL 91 2.394 -10.798 3.889 766 HA VAL 91 HA VAL 91 5.190 -11.203 3.547 767 HB VAL 91 HB VAL 91 4.094 -11.345 5.787 768 HG11 VAL 91 HG11 VAL 91 2.116 -12.550 5.204 769 HG12 VAL 91 HG12 VAL 91 2.974 -13.374 6.511 770 HG13 VAL 91 HG13 VAL 91 3.055 -14.001 4.857 771 HG21 VAL 91 HG21 VAL 91 5.662 -13.802 5.011 772 HG22 VAL 91 HG22 VAL 91 5.408 -13.234 6.661 773 HG23 VAL 91 HG23 VAL 91 6.327 -12.252 5.522 774 H LYS 92 HN LYS 92 2.403 -12.863 2.339 775 HA LYS 92 HA LYS 92 3.761 -15.218 1.564 776 HB2 LYS 92 HB2 LYS 92 1.159 -14.020 0.713 777 HB3 LYS 92 HB1 LYS 92 1.759 -15.481 -0.063 778 HG2 LYS 92 HG2 LYS 92 0.991 -15.073 2.830 779 HG3 LYS 92 HG1 LYS 92 0.188 -16.094 1.639 780 HD2 LYS 92 HD2 LYS 92 2.949 -16.516 2.807 781 HD3 LYS 92 HD1 LYS 92 1.504 -17.450 3.154 782 HE2 LYS 92 HE2 LYS 92 1.436 -18.314 0.908 783 HE3 LYS 92 HE1 LYS 92 2.741 -17.239 0.411 784 HZ1 LYS 92 HZ1 LYS 92 2.985 -19.413 2.404 785 HZ2 LYS 92 HZ2 LYS 92 4.220 -18.357 1.895 786 HZ3 LYS 92 HZ3 LYS 92 3.547 -19.454 0.812 787 H ARG 93 HN ARG 93 3.971 -12.125 0.305 788 HA ARG 93 HA ARG 93 4.755 -12.962 -2.342 789 HB2 ARG 93 HB2 ARG 93 5.071 -10.359 -0.855 790 HB3 ARG 93 HB1 ARG 93 5.698 -10.615 -2.475 791 HG2 ARG 93 HG2 ARG 93 2.804 -10.812 -1.675 792 HG3 ARG 93 HG1 ARG 93 3.562 -9.428 -2.460 793 HD2 ARG 93 HD2 ARG 93 3.270 -12.209 -3.593 794 HD3 ARG 93 HD1 ARG 93 2.422 -10.761 -4.116 795 HE ARG 93 HE ARG 93 5.291 -11.304 -4.475 796 HH11 ARG 93 HH11 ARG 93 2.392 -9.522 -5.434 797 HH12 ARG 93 HH12 ARG 93 3.079 -8.848 -6.824 798 HH21 ARG 93 HH21 ARG 93 6.240 -10.399 -6.429 799 HH22 ARG 93 HH22 ARG 93 5.319 -9.370 -7.412 800 H ILE 94 HN ILE 94 6.175 -12.690 0.730 801 HA ILE 94 HA ILE 94 8.861 -12.693 -0.396 802 HB ILE 94 HB ILE 94 8.042 -12.429 2.513 803 HG12 ILE 94 HG12 ILE 94 8.782 -10.254 0.539 804 HG13 ILE 94 HG11 ILE 94 7.143 -10.615 1.064 805 HG21 ILE 94 HG21 ILE 94 10.371 -13.183 2.145 806 HG22 ILE 94 HG22 ILE 94 10.329 -11.543 2.789 807 HG23 ILE 94 HG23 ILE 94 10.642 -11.807 1.075 808 HD11 ILE 94 HD11 ILE 94 8.037 -8.700 2.228 809 HD12 ILE 94 HD12 ILE 94 9.395 -9.664 2.811 810 HD13 ILE 94 HD13 ILE 94 7.752 -10.031 3.350 811 H LEU 95 HN LEU 95 6.841 -14.492 1.943 812 HA LEU 95 HA LEU 95 8.550 -16.819 1.448 813 HB2 LEU 95 HB2 LEU 95 7.000 -16.179 3.969 814 HB3 LEU 95 HB1 LEU 95 7.838 -17.680 3.678 815 HG LEU 95 HG LEU 95 9.200 -16.544 5.140 816 HD11 LEU 95 HD11 LEU 95 11.239 -15.948 3.977 817 HD12 LEU 95 HD12 LEU 95 10.357 -15.921 2.455 818 HD13 LEU 95 HD13 LEU 95 10.509 -17.430 3.356 819 HD21 LEU 95 HD21 LEU 95 8.122 -14.377 5.115 820 HD22 LEU 95 HD22 LEU 95 8.827 -14.021 3.537 821 HD23 LEU 95 HD23 LEU 95 9.868 -14.181 4.951 Start of MODEL 17 1 H MET 1 H MET 1 10.586 16.518 -2.981 2 HA MET 1 HA MET 1 10.236 15.130 -4.948 3 HB2 MET 1 HB2 MET 1 11.685 13.275 -4.299 4 HB3 MET 1 HB1 MET 1 12.244 14.744 -3.516 5 HG2 MET 1 HG2 MET 1 11.220 14.014 -1.420 6 HG3 MET 1 HG1 MET 1 10.625 12.557 -2.211 7 HE1 MET 1 HE1 MET 1 12.217 10.610 -3.135 8 HE2 MET 1 HE2 MET 1 13.978 10.664 -3.040 9 HE3 MET 1 HE3 MET 1 13.121 11.775 -4.102 10 H ALA 2 HN ALA 2 9.540 13.016 -5.704 11 HA ALA 2 HA ALA 2 7.378 11.894 -4.122 12 HB1 ALA 2 HB1 ALA 2 5.933 11.844 -6.105 13 HB2 ALA 2 HB2 ALA 2 7.153 12.726 -7.020 14 HB3 ALA 2 HB3 ALA 2 6.341 13.500 -5.657 15 H TYR 3 HN TYR 3 6.920 9.779 -4.727 16 HA TYR 3 HA TYR 3 9.119 8.406 -6.113 17 HB2 TYR 3 HB2 TYR 3 7.187 7.469 -3.977 18 HB3 TYR 3 HB1 TYR 3 8.249 6.393 -4.866 19 HD1 TYR 3 HD2 TYR 3 8.845 9.712 -3.208 20 HD2 TYR 3 HD1 TYR 3 9.838 5.583 -3.422 21 HE1 TYR 3 HE2 TYR 3 10.567 10.043 -1.499 22 HE2 TYR 3 HE1 TYR 3 11.562 5.908 -1.708 23 HH TYR 3 HH TYR 3 12.855 7.578 -0.693 24 H PHE 4 HN PHE 4 8.378 6.419 -7.232 25 HA PHE 4 HA PHE 4 6.036 6.903 -8.823 26 HB2 PHE 4 HB2 PHE 4 7.874 4.502 -8.640 27 HB3 PHE 4 HB1 PHE 4 6.553 4.634 -9.788 28 HD1 PHE 4 HD1 PHE 4 9.908 5.762 -8.895 29 HD2 PHE 4 HD2 PHE 4 6.753 6.069 -11.716 30 HE1 PHE 4 HE1 PHE 4 11.453 6.791 -10.512 31 HE2 PHE 4 HE2 PHE 4 8.275 7.094 -13.321 32 HZ PHE 4 HZ PHE 4 10.633 7.459 -12.729 33 H LEU 5 HN LEU 5 4.154 5.527 -8.817 34 HA LEU 5 HA LEU 5 3.843 3.954 -6.349 35 HB2 LEU 5 HB2 LEU 5 2.630 6.279 -6.430 36 HB3 LEU 5 HB1 LEU 5 1.597 5.542 -7.624 37 HG LEU 5 HG LEU 5 0.476 5.607 -5.448 38 HD11 LEU 5 HD11 LEU 5 -0.102 3.281 -5.098 39 HD12 LEU 5 HD12 LEU 5 1.208 2.799 -6.172 40 HD13 LEU 5 HD13 LEU 5 -0.146 3.746 -6.800 41 HD21 LEU 5 HD21 LEU 5 2.388 5.625 -3.980 42 HD22 LEU 5 HD22 LEU 5 2.768 3.958 -4.426 43 HD23 LEU 5 HD23 LEU 5 1.287 4.321 -3.547 44 H ASP 6 HN ASP 6 3.402 1.894 -6.864 45 HA ASP 6 HA ASP 6 1.951 1.372 -9.357 46 HB2 ASP 6 HB2 ASP 6 4.442 0.954 -9.675 47 HB3 ASP 6 HB1 ASP 6 4.305 -0.256 -8.410 48 H PHE 7 HN PHE 7 0.941 -0.718 -9.360 49 HA PHE 7 HA PHE 7 0.307 -1.700 -6.651 50 HB2 PHE 7 HB2 PHE 7 -1.569 -1.377 -8.993 51 HB3 PHE 7 HB1 PHE 7 -1.982 -2.163 -7.481 52 HD1 PHE 7 HD1 PHE 7 -2.421 -0.812 -5.497 53 HD2 PHE 7 HD2 PHE 7 -1.478 0.988 -9.233 54 HE1 PHE 7 HE1 PHE 7 -3.321 1.326 -4.689 55 HE2 PHE 7 HE2 PHE 7 -2.363 3.136 -8.429 56 HZ PHE 7 HZ PHE 7 -3.293 3.305 -6.152 57 H ASP 8 HN ASP 8 0.349 -3.902 -6.487 58 HA ASP 8 HA ASP 8 1.120 -5.507 -8.709 59 HB2 ASP 8 HB2 ASP 8 1.690 -6.213 -6.415 60 HB3 ASP 8 HB1 ASP 8 -0.024 -6.359 -6.027 61 H GLU 9 HN GLU 9 -0.188 -7.201 -9.675 62 HA GLU 9 HA GLU 9 -2.599 -6.293 -10.632 63 HB2 GLU 9 HB2 GLU 9 -3.019 -8.602 -11.409 64 HB3 GLU 9 HB1 GLU 9 -1.426 -7.990 -11.832 65 HG2 GLU 9 HG2 GLU 9 -0.350 -9.430 -10.446 66 HG3 GLU 9 HG1 GLU 9 -1.728 -9.587 -9.350 67 H ARG 10 HN ARG 10 -2.050 -8.402 -7.733 68 HA ARG 10 HA ARG 10 -4.858 -8.906 -7.485 69 HB2 ARG 10 HB2 ARG 10 -4.505 -9.727 -5.214 70 HB3 ARG 10 HB1 ARG 10 -3.263 -10.388 -6.256 71 HG2 ARG 10 HG2 ARG 10 -1.591 -9.063 -5.280 72 HG3 ARG 10 HG1 ARG 10 -2.765 -7.958 -4.564 73 HD2 ARG 10 HD2 ARG 10 -2.464 -10.867 -3.781 74 HD3 ARG 10 HD1 ARG 10 -1.701 -9.527 -2.930 75 HE ARG 10 HE ARG 10 -4.322 -8.812 -2.912 76 HH11 ARG 10 HH11 ARG 10 -2.702 -11.827 -1.860 77 HH12 ARG 10 HH12 ARG 10 -3.862 -12.145 -0.665 78 HH21 ARG 10 HH21 ARG 10 -5.873 -9.314 -1.278 79 HH22 ARG 10 HH22 ARG 10 -5.703 -10.711 -0.307 80 H ALA 11 HN ALA 11 -2.718 -6.462 -6.315 81 HA ALA 11 HA ALA 11 -4.490 -5.241 -4.518 82 HB1 ALA 11 HB1 ALA 11 -2.077 -4.843 -4.449 83 HB2 ALA 11 HB2 ALA 11 -2.963 -3.325 -4.611 84 HB3 ALA 11 HB3 ALA 11 -2.161 -4.034 -6.015 85 H LEU 12 HN LEU 12 -3.897 -4.839 -7.973 86 HA LEU 12 HA LEU 12 -5.593 -2.600 -8.278 87 HB2 LEU 12 HB2 LEU 12 -4.483 -4.628 -10.176 88 HB3 LEU 12 HB1 LEU 12 -5.660 -3.452 -10.715 89 HG LEU 12 HG LEU 12 -3.009 -2.742 -9.467 90 HD11 LEU 12 HD11 LEU 12 -2.693 -3.880 -11.614 91 HD12 LEU 12 HD12 LEU 12 -2.313 -2.163 -11.747 92 HD13 LEU 12 HD13 LEU 12 -3.843 -2.779 -12.371 93 HD21 LEU 12 HD21 LEU 12 -5.073 -1.083 -10.929 94 HD22 LEU 12 HD22 LEU 12 -3.512 -0.502 -10.368 95 HD23 LEU 12 HD23 LEU 12 -4.732 -1.005 -9.204 96 H LYS 13 HN LYS 13 -6.082 -6.043 -8.579 97 HA LYS 13 HA LYS 13 -8.744 -5.922 -9.478 98 HB2 LYS 13 HB2 LYS 13 -7.220 -8.088 -8.017 99 HB3 LYS 13 HB1 LYS 13 -8.822 -8.323 -8.715 100 HG2 LYS 13 HG2 LYS 13 -8.044 -8.046 -10.902 101 HG3 LYS 13 HG1 LYS 13 -6.537 -7.310 -10.369 102 HD2 LYS 13 HD2 LYS 13 -5.820 -9.449 -9.469 103 HD3 LYS 13 HD1 LYS 13 -7.325 -10.212 -10.015 104 HE2 LYS 13 HE2 LYS 13 -6.763 -9.620 -12.335 105 HE3 LYS 13 HE1 LYS 13 -5.290 -8.837 -11.784 106 HZ1 LYS 13 HZ1 LYS 13 -4.935 -11.037 -12.703 107 HZ2 LYS 13 HZ2 LYS 13 -5.865 -11.743 -11.503 108 HZ3 LYS 13 HZ3 LYS 13 -4.405 -10.982 -11.123 109 H GLU 14 HN GLU 14 -7.360 -6.148 -6.235 110 HA GLU 14 HA GLU 14 -9.841 -6.148 -4.886 111 HB2 GLU 14 HB2 GLU 14 -7.099 -5.344 -3.893 112 HB3 GLU 14 HB1 GLU 14 -8.497 -5.647 -2.868 113 HG2 GLU 14 HG2 GLU 14 -8.576 -7.952 -3.638 114 HG3 GLU 14 HG1 GLU 14 -7.196 -7.656 -4.686 115 H TRP 15 HN TRP 15 -7.631 -3.587 -5.844 116 HA TRP 15 HA TRP 15 -8.828 -1.372 -4.618 117 HB2 TRP 15 HB2 TRP 15 -6.604 -1.409 -5.697 118 HB3 TRP 15 HB1 TRP 15 -7.365 -1.590 -7.263 119 HD1 TRP 15 HD1 TRP 15 -8.218 0.597 -8.441 120 HE1 TRP 15 HE1 TRP 15 -7.890 3.103 -7.934 121 HE3 TRP 15 HE3 TRP 15 -6.390 0.207 -3.698 122 HZ2 TRP 15 HZ2 TRP 15 -6.951 4.687 -5.803 123 HZ3 TRP 15 HZ3 TRP 15 -5.783 2.262 -2.491 124 HH2 TRP 15 HH2 TRP 15 -6.058 4.452 -3.522 125 H ARG 16 HN ARG 16 -9.435 -2.895 -7.726 126 HA ARG 16 HA ARG 16 -11.477 -1.070 -8.540 127 HB2 ARG 16 HB2 ARG 16 -10.806 -3.839 -9.535 128 HB3 ARG 16 HB1 ARG 16 -11.915 -2.735 -10.333 129 HG2 ARG 16 HG2 ARG 16 -10.176 -1.191 -10.803 130 HG3 ARG 16 HG1 ARG 16 -9.038 -2.077 -9.786 131 HD2 ARG 16 HD2 ARG 16 -9.318 -4.014 -11.306 132 HD3 ARG 16 HD1 ARG 16 -10.246 -2.972 -12.393 133 HE ARG 16 HE ARG 16 -8.077 -1.545 -12.141 134 HH11 ARG 16 HH11 ARG 16 -8.347 -5.047 -12.581 135 HH12 ARG 16 HH12 ARG 16 -6.867 -5.218 -13.394 136 HH21 ARG 16 HH21 ARG 16 -5.995 -1.775 -13.270 137 HH22 ARG 16 HH22 ARG 16 -5.500 -3.326 -13.790 138 H LYS 17 HN LYS 17 -11.400 -4.068 -6.793 139 HA LYS 17 HA LYS 17 -14.161 -4.679 -6.739 140 HB2 LYS 17 HB2 LYS 17 -12.451 -6.287 -6.102 141 HB3 LYS 17 HB1 LYS 17 -11.941 -5.255 -4.778 142 HG2 LYS 17 HG2 LYS 17 -14.238 -5.538 -3.805 143 HG3 LYS 17 HG1 LYS 17 -14.521 -6.776 -5.029 144 HD2 LYS 17 HD2 LYS 17 -12.317 -6.797 -2.965 145 HD3 LYS 17 HD1 LYS 17 -13.804 -7.736 -2.883 146 HE2 LYS 17 HE2 LYS 17 -13.164 -8.878 -4.960 147 HE3 LYS 17 HE1 LYS 17 -11.656 -7.961 -4.989 148 HZ1 LYS 17 HZ1 LYS 17 -11.064 -9.002 -2.861 149 HZ2 LYS 17 HZ2 LYS 17 -11.313 -10.130 -4.068 150 HZ3 LYS 17 HZ3 LYS 17 -12.501 -9.892 -2.906 151 H LEU 18 HN LEU 18 -12.021 -2.865 -4.645 152 HA LEU 18 HA LEU 18 -13.610 -2.272 -2.518 153 HB2 LEU 18 HB2 LEU 18 -11.171 -1.241 -3.657 154 HB3 LEU 18 HB1 LEU 18 -12.100 0.022 -2.886 155 HG LEU 18 HG LEU 18 -12.082 -1.227 -0.786 156 HD11 LEU 18 HD11 LEU 18 -11.970 -3.502 -1.640 157 HD12 LEU 18 HD12 LEU 18 -10.665 -3.189 -0.497 158 HD13 LEU 18 HD13 LEU 18 -10.334 -3.211 -2.232 159 HD21 LEU 18 HD21 LEU 18 -10.367 0.392 -1.217 160 HD22 LEU 18 HD22 LEU 18 -9.364 -0.830 -2.005 161 HD23 LEU 18 HD23 LEU 18 -9.718 -0.950 -0.279 162 H GLY 19 HN GLY 19 -14.722 -0.507 -1.864 163 HA2 GLY 19 HA2 GLY 19 -16.538 0.649 -3.689 164 HA3 GLY 19 HA1 GLY 19 -16.311 1.125 -2.006 165 H SER 20 HN SER 20 -16.593 2.685 -4.523 166 HA SER 20 HA SER 20 -14.241 3.722 -5.427 167 HB2 SER 20 HB2 SER 20 -15.926 5.692 -5.940 168 HB3 SER 20 HB1 SER 20 -16.033 4.137 -6.772 169 HG SER 20 HG SER 20 -17.842 5.325 -5.247 170 H THR 21 HN THR 21 -16.252 4.891 -2.781 171 HA THR 21 HA THR 21 -14.729 7.228 -2.274 172 HB THR 21 HB THR 21 -16.601 5.713 -0.453 173 HG1 THR 21 HG1 THR 21 -18.191 6.869 -1.401 174 HG21 THR 21 HG21 THR 21 -15.231 7.349 0.768 175 HG22 THR 21 HG22 THR 21 -16.904 7.900 0.675 176 HG23 THR 21 HG23 THR 21 -15.682 8.603 -0.384 177 H VAL 22 HN VAL 22 -14.627 3.932 -1.076 178 HA VAL 22 HA VAL 22 -12.892 4.328 1.114 179 HB VAL 22 HB VAL 22 -13.361 1.894 -0.625 180 HG11 VAL 22 HG11 VAL 22 -11.274 1.695 0.606 181 HG12 VAL 22 HG12 VAL 22 -12.485 0.587 1.255 182 HG13 VAL 22 HG13 VAL 22 -12.111 2.084 2.109 183 HG21 VAL 22 HG21 VAL 22 -14.600 2.670 2.012 184 HG22 VAL 22 HG22 VAL 22 -14.864 1.148 1.164 185 HG23 VAL 22 HG23 VAL 22 -15.400 2.665 0.440 186 H ARG 23 HN ARG 23 -12.415 3.304 -2.225 187 HA ARG 23 HA ARG 23 -9.626 3.206 -1.924 188 HB2 ARG 23 HB2 ARG 23 -9.484 2.921 -4.373 189 HB3 ARG 23 HB1 ARG 23 -10.573 1.801 -3.564 190 HG2 ARG 23 HG2 ARG 23 -12.435 2.764 -4.412 191 HG3 ARG 23 HG1 ARG 23 -11.661 4.273 -4.874 192 HD2 ARG 23 HD2 ARG 23 -10.306 3.014 -6.467 193 HD3 ARG 23 HD1 ARG 23 -11.142 1.524 -6.035 194 HE ARG 23 HE ARG 23 -12.400 3.857 -7.318 195 HH11 ARG 23 HH11 ARG 23 -12.236 0.346 -6.806 196 HH12 ARG 23 HH12 ARG 23 -13.426 -0.052 -7.948 197 HH21 ARG 23 HH21 ARG 23 -14.045 3.322 -8.953 198 HH22 ARG 23 HH22 ARG 23 -14.473 1.724 -9.256 199 H GLU 24 HN GLU 24 -11.765 5.780 -3.037 200 HA GLU 24 HA GLU 24 -9.826 7.559 -3.964 201 HB2 GLU 24 HB2 GLU 24 -12.407 8.061 -2.499 202 HB3 GLU 24 HB1 GLU 24 -11.378 9.367 -3.059 203 HG2 GLU 24 HG2 GLU 24 -11.671 8.671 -5.344 204 HG3 GLU 24 HG1 GLU 24 -12.570 7.249 -4.818 205 H GLN 25 HN GLN 25 -10.915 6.913 -0.662 206 HA GLN 25 HA GLN 25 -9.329 8.941 0.481 207 HB2 GLN 25 HB2 GLN 25 -11.178 6.937 1.424 208 HB3 GLN 25 HB1 GLN 25 -9.765 7.016 2.470 209 HG2 GLN 25 HG2 GLN 25 -11.563 8.501 3.228 210 HG3 GLN 25 HG1 GLN 25 -10.091 9.371 2.826 211 HE21 GLN 25 HE21 GLN 25 -12.469 8.192 0.460 212 HE22 GLN 25 HE22 GLN 25 -12.958 9.762 -0.051 213 H LEU 26 HN LEU 26 -8.791 5.540 -0.107 214 HA LEU 26 HA LEU 26 -6.263 5.408 1.162 215 HB2 LEU 26 HB2 LEU 26 -7.406 3.787 -1.090 216 HB3 LEU 26 HB1 LEU 26 -5.909 3.396 -0.276 217 HG LEU 26 HG LEU 26 -8.667 3.398 0.985 218 HD11 LEU 26 HD11 LEU 26 -6.809 1.146 0.296 219 HD12 LEU 26 HD12 LEU 26 -8.316 1.550 -0.531 220 HD13 LEU 26 HD13 LEU 26 -8.349 1.001 1.143 221 HD21 LEU 26 HD21 LEU 26 -6.975 4.066 2.616 222 HD22 LEU 26 HD22 LEU 26 -5.977 2.686 2.162 223 HD23 LEU 26 HD23 LEU 26 -7.532 2.424 2.944 224 H LYS 27 HN LYS 27 -7.231 6.040 -2.184 225 HA LYS 27 HA LYS 27 -4.748 6.354 -3.374 226 HB2 LYS 27 HB2 LYS 27 -6.909 6.376 -4.560 227 HB3 LYS 27 HB1 LYS 27 -7.238 7.961 -3.880 228 HG2 LYS 27 HG2 LYS 27 -5.173 8.778 -4.982 229 HG3 LYS 27 HG1 LYS 27 -5.050 7.228 -5.816 230 HD2 LYS 27 HD2 LYS 27 -6.117 8.740 -7.321 231 HD3 LYS 27 HD1 LYS 27 -7.379 7.675 -6.701 232 HE2 LYS 27 HE2 LYS 27 -8.047 9.400 -5.096 233 HE3 LYS 27 HE1 LYS 27 -6.749 10.440 -5.682 234 HZ1 LYS 27 HZ1 LYS 27 -9.078 9.510 -7.275 235 HZ2 LYS 27 HZ2 LYS 27 -7.831 10.478 -7.850 236 HZ3 LYS 27 HZ3 LYS 27 -8.845 11.050 -6.662 237 H LYS 28 HN LYS 28 -6.723 8.722 -1.666 238 HA LYS 28 HA LYS 28 -5.119 10.979 -1.925 239 HB2 LYS 28 HB2 LYS 28 -6.888 10.142 0.372 240 HB3 LYS 28 HB1 LYS 28 -6.132 11.725 0.254 241 HG2 LYS 28 HG2 LYS 28 -7.368 12.170 -1.762 242 HG3 LYS 28 HG1 LYS 28 -8.071 10.549 -1.702 243 HD2 LYS 28 HD2 LYS 28 -9.117 11.057 0.426 244 HD3 LYS 28 HD1 LYS 28 -8.384 12.659 0.425 245 HE2 LYS 28 HE2 LYS 28 -10.271 11.601 -1.632 246 HE3 LYS 28 HE1 LYS 28 -10.726 12.664 -0.289 247 HZ1 LYS 28 HZ1 LYS 28 -8.893 13.341 -2.550 248 HZ2 LYS 28 HZ2 LYS 28 -9.153 14.324 -1.218 249 HZ3 LYS 28 HZ3 LYS 28 -10.421 14.000 -2.254 250 H LYS 29 HN LYS 29 -5.021 8.412 0.459 251 HA LYS 29 HA LYS 29 -2.897 9.487 1.989 252 HB2 LYS 29 HB2 LYS 29 -3.723 6.601 1.693 253 HB3 LYS 29 HB1 LYS 29 -2.687 7.267 2.951 254 HG2 LYS 29 HG2 LYS 29 -5.588 7.958 2.536 255 HG3 LYS 29 HG1 LYS 29 -4.957 6.848 3.750 256 HD2 LYS 29 HD2 LYS 29 -3.683 8.695 4.755 257 HD3 LYS 29 HD1 LYS 29 -4.343 9.800 3.549 258 HE2 LYS 29 HE2 LYS 29 -6.605 9.343 4.354 259 HE3 LYS 29 HE1 LYS 29 -5.937 8.202 5.523 260 HZ1 LYS 29 HZ1 LYS 29 -4.825 9.990 6.644 261 HZ2 LYS 29 HZ2 LYS 29 -6.446 10.422 6.477 262 HZ3 LYS 29 HZ3 LYS 29 -5.291 11.100 5.468 263 H LEU 30 HN LEU 30 -2.966 7.339 -0.794 264 HA LEU 30 HA LEU 30 -0.234 6.700 -0.792 265 HB2 LEU 30 HB2 LEU 30 -2.174 6.830 -3.089 266 HB3 LEU 30 HB1 LEU 30 -0.593 6.081 -3.147 267 HG LEU 30 HG LEU 30 -2.901 5.182 -1.435 268 HD11 LEU 30 HD11 LEU 30 -2.931 3.240 -2.915 269 HD12 LEU 30 HD12 LEU 30 -1.669 3.979 -3.902 270 HD13 LEU 30 HD13 LEU 30 -3.256 4.736 -3.788 271 HD21 LEU 30 HD21 LEU 30 -1.463 3.241 -0.955 272 HD22 LEU 30 HD22 LEU 30 -0.816 4.757 -0.340 273 HD23 LEU 30 HD23 LEU 30 -0.132 4.041 -1.803 274 H VAL 31 HN VAL 31 -2.041 9.237 -2.474 275 HA VAL 31 HA VAL 31 0.252 10.145 -3.834 276 HB VAL 31 HB VAL 31 -2.030 10.606 -4.690 277 HG11 VAL 31 HG11 VAL 31 -3.179 11.137 -2.652 278 HG12 VAL 31 HG12 VAL 31 -3.379 12.431 -3.835 279 HG13 VAL 31 HG13 VAL 31 -2.254 12.629 -2.489 280 HG21 VAL 31 HG21 VAL 31 -0.187 11.913 -5.558 281 HG22 VAL 31 HG22 VAL 31 -0.383 13.091 -4.257 282 HG23 VAL 31 HG23 VAL 31 -1.653 12.890 -5.467 283 H GLU 32 HN GLU 32 -1.216 11.211 -0.784 284 HA GLU 32 HA GLU 32 0.657 13.319 -0.452 285 HB2 GLU 32 HB2 GLU 32 -0.106 13.484 1.865 286 HB3 GLU 32 HB1 GLU 32 -1.458 13.396 0.754 287 HG2 GLU 32 HG2 GLU 32 -1.780 11.065 1.312 288 HG3 GLU 32 HG1 GLU 32 -0.395 11.114 2.398 289 H VAL 33 HN VAL 33 0.663 9.932 0.487 290 HA VAL 33 HA VAL 33 2.799 10.192 2.264 291 HB VAL 33 HB VAL 33 1.136 8.221 2.065 292 HG11 VAL 33 HG11 VAL 33 1.911 6.233 0.904 293 HG12 VAL 33 HG12 VAL 33 3.236 7.163 0.205 294 HG13 VAL 33 HG13 VAL 33 1.572 7.560 -0.213 295 HG21 VAL 33 HG21 VAL 33 2.698 6.689 3.179 296 HG22 VAL 33 HG22 VAL 33 2.832 8.345 3.776 297 HG23 VAL 33 HG23 VAL 33 4.032 7.709 2.648 298 H LEU 34 HN LEU 34 2.723 9.862 -1.154 299 HA LEU 34 HA LEU 34 5.255 8.939 -1.753 300 HB2 LEU 34 HB2 LEU 34 3.608 10.996 -3.187 301 HB3 LEU 34 HB1 LEU 34 5.084 10.317 -3.836 302 HG LEU 34 HG LEU 34 2.591 8.742 -3.185 303 HD11 LEU 34 HD11 LEU 34 2.242 10.264 -5.057 304 HD12 LEU 34 HD12 LEU 34 2.319 8.592 -5.611 305 HD13 LEU 34 HD13 LEU 34 3.705 9.659 -5.829 306 HD21 LEU 34 HD21 LEU 34 3.730 6.972 -4.487 307 HD22 LEU 34 HD22 LEU 34 4.574 7.375 -2.998 308 HD23 LEU 34 HD23 LEU 34 5.170 7.982 -4.543 309 H GLU 35 HN GLU 35 4.475 12.157 -0.466 310 HA GLU 35 HA GLU 35 7.043 13.110 -1.320 311 HB2 GLU 35 HB2 GLU 35 6.463 15.221 -0.091 312 HB3 GLU 35 HB1 GLU 35 5.364 14.770 -1.373 313 HG2 GLU 35 HG2 GLU 35 3.992 15.552 0.370 314 HG3 GLU 35 HG1 GLU 35 3.878 13.806 0.433 315 H SER 36 HN SER 36 5.774 11.706 1.521 316 HA SER 36 HA SER 36 8.468 11.500 2.598 317 HB2 SER 36 HB2 SER 36 6.104 12.441 4.266 318 HB3 SER 36 HB1 SER 36 7.718 12.074 4.875 319 HG SER 36 HG SER 36 6.902 14.197 3.174 320 HA PRO 37 HA PRO 37 5.914 7.662 2.659 321 HB2 PRO 37 HB2 PRO 37 7.666 6.023 1.401 322 HB3 PRO 37 HB1 PRO 37 6.509 7.038 0.531 323 HG2 PRO 37 HG2 PRO 37 9.402 7.532 1.096 324 HG3 PRO 37 HG1 PRO 37 8.507 7.763 -0.417 325 HD2 PRO 37 HD2 PRO 37 9.081 9.830 1.232 326 HD3 PRO 37 HD1 PRO 37 7.568 9.749 0.291 327 H ARG 38 HN ARG 38 9.191 8.336 3.426 328 HA ARG 38 HA ARG 38 9.416 6.031 5.109 329 HB2 ARG 38 HB2 ARG 38 11.678 7.328 5.781 330 HB3 ARG 38 HB1 ARG 38 11.532 6.272 4.391 331 HG2 ARG 38 HG2 ARG 38 12.686 8.306 3.774 332 HG3 ARG 38 HG1 ARG 38 11.134 8.222 2.962 333 HD2 ARG 38 HD2 ARG 38 10.226 9.751 4.730 334 HD3 ARG 38 HD1 ARG 38 11.879 9.946 5.326 335 HE ARG 38 HE ARG 38 12.027 10.411 2.657 336 HH11 ARG 38 HH11 ARG 38 10.340 12.006 5.346 337 HH12 ARG 38 HH12 ARG 38 10.173 13.468 4.496 338 HH21 ARG 38 HH21 ARG 38 11.776 12.373 1.552 339 HH22 ARG 38 HH22 ARG 38 10.978 13.699 2.285 340 H ILE 39 HN ILE 39 7.527 6.710 6.166 341 HA ILE 39 HA ILE 39 8.051 8.343 8.557 342 HB ILE 39 HB ILE 39 5.438 7.162 7.521 343 HG12 ILE 39 HG12 ILE 39 6.369 10.042 7.523 344 HG13 ILE 39 HG11 ILE 39 6.377 8.990 6.116 345 HG21 ILE 39 HG21 ILE 39 5.452 7.408 9.961 346 HG22 ILE 39 HG22 ILE 39 4.342 8.555 9.211 347 HG23 ILE 39 HG23 ILE 39 5.916 9.102 9.789 348 HD11 ILE 39 HD11 ILE 39 3.938 9.871 7.648 349 HD12 ILE 39 HD12 ILE 39 3.942 8.824 6.230 350 HD13 ILE 39 HD13 ILE 39 4.471 10.497 6.088 351 H GLU 40 HN GLU 40 8.792 7.193 10.252 352 HA GLU 40 HA GLU 40 8.994 4.403 10.267 353 HB2 GLU 40 HB2 GLU 40 9.747 4.595 12.589 354 HB3 GLU 40 HB1 GLU 40 10.522 5.771 11.541 355 HG2 GLU 40 HG2 GLU 40 9.111 7.519 12.376 356 HG3 GLU 40 HG1 GLU 40 8.182 6.360 13.328 357 H ALA 41 HN ALA 41 6.497 6.459 11.419 358 HA ALA 41 HA ALA 41 5.242 4.736 13.258 359 HB1 ALA 41 HB1 ALA 41 4.000 6.944 11.630 360 HB2 ALA 41 HB2 ALA 41 4.835 7.151 13.166 361 HB3 ALA 41 HB3 ALA 41 3.334 6.225 13.095 362 H ASN 42 HN ASN 42 5.304 4.649 9.830 363 HA ASN 42 HA ASN 42 2.919 2.943 9.845 364 HB2 ASN 42 HB2 ASN 42 4.155 4.497 7.579 365 HB3 ASN 42 HB1 ASN 42 2.932 3.254 7.326 366 HD21 ASN 42 HD21 ASN 42 2.826 6.058 6.698 367 HD22 ASN 42 HD22 ASN 42 1.480 6.690 7.578 368 H LYS 43 HN LYS 43 6.150 2.599 10.030 369 HA LYS 43 HA LYS 43 6.487 0.648 7.963 370 HB2 LYS 43 HB2 LYS 43 8.351 1.200 10.276 371 HB3 LYS 43 HB1 LYS 43 8.717 0.211 8.869 372 HG2 LYS 43 HG2 LYS 43 8.263 2.253 7.502 373 HG3 LYS 43 HG1 LYS 43 8.287 3.175 8.995 374 HD2 LYS 43 HD2 LYS 43 10.470 3.384 8.140 375 HD3 LYS 43 HD1 LYS 43 10.630 2.089 9.328 376 HE2 LYS 43 HE2 LYS 43 10.543 0.409 7.598 377 HE3 LYS 43 HE1 LYS 43 10.150 1.617 6.380 378 HZ1 LYS 43 HZ1 LYS 43 12.427 1.144 6.122 379 HZ2 LYS 43 HZ2 LYS 43 12.725 1.193 7.771 380 HZ3 LYS 43 HZ3 LYS 43 12.396 2.620 6.939 381 H LEU 44 HN LEU 44 6.501 -1.397 8.026 382 HA LEU 44 HA LEU 44 5.267 -2.752 10.208 383 HB2 LEU 44 HB2 LEU 44 6.426 -3.668 7.598 384 HB3 LEU 44 HB1 LEU 44 5.659 -4.771 8.730 385 HG LEU 44 HG LEU 44 4.324 -2.447 7.320 386 HD11 LEU 44 HD11 LEU 44 4.837 -4.335 5.827 387 HD12 LEU 44 HD12 LEU 44 3.110 -4.130 6.108 388 HD13 LEU 44 HD13 LEU 44 3.983 -5.413 6.939 389 HD21 LEU 44 HD21 LEU 44 3.209 -4.551 9.154 390 HD22 LEU 44 HD22 LEU 44 2.272 -3.397 8.212 391 HD23 LEU 44 HD23 LEU 44 3.336 -2.819 9.494 392 H ARG 45 HN ARG 45 6.241 -4.468 11.350 393 HA ARG 45 HA ARG 45 8.622 -3.685 12.593 394 HB2 ARG 45 HB2 ARG 45 7.202 -6.334 12.701 395 HB3 ARG 45 HB1 ARG 45 8.383 -5.742 13.851 396 HG2 ARG 45 HG2 ARG 45 6.897 -4.002 14.569 397 HG3 ARG 45 HG1 ARG 45 5.732 -4.437 13.315 398 HD2 ARG 45 HD2 ARG 45 5.513 -6.657 14.310 399 HD3 ARG 45 HD1 ARG 45 6.637 -6.188 15.587 400 HE ARG 45 HE ARG 45 4.734 -4.306 15.725 401 HH11 ARG 45 HH11 ARG 45 4.576 -7.853 15.691 402 HH12 ARG 45 HH12 ARG 45 3.184 -7.929 16.678 403 HH21 ARG 45 HH21 ARG 45 2.840 -4.449 17.098 404 HH22 ARG 45 HH22 ARG 45 2.170 -5.972 17.463 405 H GLY 46 HN GLY 46 7.985 -6.721 10.888 406 HA2 GLY 46 HA2 GLY 46 10.865 -6.846 10.297 407 HA3 GLY 46 HA1 GLY 46 9.873 -8.264 10.620 408 H MET 47 HN MET 47 9.855 -5.449 8.490 409 HA MET 47 HA MET 47 9.514 -7.228 6.208 410 HB2 MET 47 HB2 MET 47 7.715 -4.900 6.855 411 HB3 MET 47 HB1 MET 47 7.758 -5.675 5.286 412 HG2 MET 47 HG2 MET 47 6.969 -7.019 7.871 413 HG3 MET 47 HG1 MET 47 5.844 -6.383 6.676 414 HE1 MET 47 HE1 MET 47 7.231 -7.194 3.925 415 HE2 MET 47 HE2 MET 47 5.513 -7.434 4.249 416 HE3 MET 47 HE3 MET 47 6.484 -8.763 3.627 417 HA PRO 48 HA PRO 48 12.543 -4.419 4.633 418 HB2 PRO 48 HB2 PRO 48 12.322 -4.955 1.967 419 HB3 PRO 48 HB1 PRO 48 13.103 -6.047 3.118 420 HG2 PRO 48 HG2 PRO 48 10.342 -6.174 1.976 421 HG3 PRO 48 HG1 PRO 48 11.506 -7.483 2.255 422 HD2 PRO 48 HD2 PRO 48 9.430 -6.977 3.922 423 HD3 PRO 48 HD1 PRO 48 10.969 -7.657 4.479 424 H ASP 49 HN ASP 49 11.680 -2.453 5.129 425 HA ASP 49 HA ASP 49 10.665 -0.450 4.944 426 HB2 ASP 49 HB2 ASP 49 11.601 -0.827 2.096 427 HB3 ASP 49 HB1 ASP 49 10.884 0.669 2.666 428 H CYS 50 HN CYS 50 8.802 -2.295 5.087 429 HA CYS 50 HA CYS 50 6.850 -1.574 3.042 430 HB2 CYS 50 HB2 CYS 50 6.714 -3.734 5.138 431 HB3 CYS 50 HB1 CYS 50 5.548 -3.468 3.841 432 HG CYS 50 HG CYS 50 8.631 -3.868 2.660 433 H TYR 51 HN TYR 51 4.936 -0.655 3.579 434 HA TYR 51 HA TYR 51 4.694 0.346 6.325 435 HB2 TYR 51 HB2 TYR 51 4.259 2.003 3.813 436 HB3 TYR 51 HB1 TYR 51 4.008 2.517 5.476 437 HD1 TYR 51 HD1 TYR 51 6.706 1.294 3.209 438 HD2 TYR 51 HD2 TYR 51 5.685 3.663 6.567 439 HE1 TYR 51 HE1 TYR 51 9.000 2.150 3.289 440 HE2 TYR 51 HE2 TYR 51 7.975 4.523 6.651 441 HH TYR 51 HH TYR 51 10.222 4.018 4.133 442 H LYS 52 HN LYS 52 2.553 0.934 6.844 443 HA LYS 52 HA LYS 52 0.518 -0.227 5.091 444 HB2 LYS 52 HB2 LYS 52 -0.686 -0.911 7.190 445 HB3 LYS 52 HB1 LYS 52 0.802 -1.791 6.875 446 HG2 LYS 52 HG2 LYS 52 1.980 -0.396 8.502 447 HG3 LYS 52 HG1 LYS 52 0.494 0.499 8.810 448 HD2 LYS 52 HD2 LYS 52 -0.553 -1.432 9.748 449 HD3 LYS 52 HD1 LYS 52 0.771 -2.480 9.243 450 HE2 LYS 52 HE2 LYS 52 2.292 -1.238 10.720 451 HE3 LYS 52 HE1 LYS 52 0.951 -0.227 11.235 452 HZ1 LYS 52 HZ1 LYS 52 1.335 -1.960 12.845 453 HZ2 LYS 52 HZ2 LYS 52 1.219 -3.165 11.689 454 HZ3 LYS 52 HZ3 LYS 52 -0.131 -2.259 12.094 455 H ILE 53 HN ILE 53 -1.251 0.915 4.838 456 HA ILE 53 HA ILE 53 -1.546 3.435 6.312 457 HB ILE 53 HB ILE 53 -2.491 2.674 3.522 458 HG12 ILE 53 HG12 ILE 53 -0.607 4.841 4.466 459 HG13 ILE 53 HG11 ILE 53 -0.134 3.338 3.685 460 HG21 ILE 53 HG21 ILE 53 -3.492 4.912 3.336 461 HG22 ILE 53 HG22 ILE 53 -3.095 5.242 5.014 462 HG23 ILE 53 HG23 ILE 53 -4.256 3.980 4.622 463 HD11 ILE 53 HD11 ILE 53 -1.273 4.026 1.657 464 HD12 ILE 53 HD12 ILE 53 -0.092 5.252 2.146 465 HD13 ILE 53 HD13 ILE 53 -1.810 5.505 2.442 466 H LYS 54 HN LYS 54 -3.484 3.808 7.273 467 HA LYS 54 HA LYS 54 -5.400 1.657 7.111 468 HB2 LYS 54 HB2 LYS 54 -5.837 1.826 9.551 469 HB3 LYS 54 HB1 LYS 54 -4.216 1.271 9.193 470 HG2 LYS 54 HG2 LYS 54 -4.835 4.133 9.849 471 HG3 LYS 54 HG1 LYS 54 -4.503 2.939 11.092 472 HD2 LYS 54 HD2 LYS 54 -2.275 2.609 10.265 473 HD3 LYS 54 HD1 LYS 54 -2.601 3.576 8.825 474 HE2 LYS 54 HE2 LYS 54 -3.014 5.491 10.218 475 HE3 LYS 54 HE1 LYS 54 -2.639 4.553 11.665 476 HZ1 LYS 54 HZ1 LYS 54 -0.363 4.256 10.772 477 HZ2 LYS 54 HZ2 LYS 54 -0.724 5.860 11.014 478 HZ3 LYS 54 HZ3 LYS 54 -0.727 5.240 9.459 479 H LEU 55 HN LEU 55 -7.320 2.308 6.613 480 HA LEU 55 HA LEU 55 -7.935 5.120 6.509 481 HB2 LEU 55 HB2 LEU 55 -8.597 3.001 4.938 482 HB3 LEU 55 HB1 LEU 55 -9.996 3.039 5.981 483 HG LEU 55 HG LEU 55 -9.063 5.263 4.165 484 HD11 LEU 55 HD11 LEU 55 -11.084 4.781 2.906 485 HD12 LEU 55 HD12 LEU 55 -11.428 3.431 3.982 486 HD13 LEU 55 HD13 LEU 55 -9.989 3.403 2.962 487 HD21 LEU 55 HD21 LEU 55 -11.151 6.379 4.703 488 HD22 LEU 55 HD22 LEU 55 -10.153 6.197 6.149 489 HD23 LEU 55 HD23 LEU 55 -11.542 5.131 5.888 490 H ARG 56 HN ARG 56 -8.064 5.744 8.544 491 HA ARG 56 HA ARG 56 -8.978 4.357 10.817 492 HB2 ARG 56 HB2 ARG 56 -8.585 7.316 10.377 493 HB3 ARG 56 HB1 ARG 56 -8.793 6.549 11.944 494 HG2 ARG 56 HG2 ARG 56 -6.562 5.799 10.075 495 HG3 ARG 56 HG1 ARG 56 -6.424 7.116 11.240 496 HD2 ARG 56 HD2 ARG 56 -7.142 4.281 11.991 497 HD3 ARG 56 HD1 ARG 56 -5.496 4.913 12.013 498 HE ARG 56 HE ARG 56 -7.217 6.601 13.467 499 HH11 ARG 56 HH11 ARG 56 -5.565 3.459 13.815 500 HH12 ARG 56 HH12 ARG 56 -5.456 3.598 15.502 501 HH21 ARG 56 HH21 ARG 56 -7.035 6.737 15.741 502 HH22 ARG 56 HH22 ARG 56 -6.294 5.459 16.621 503 H SER 57 HN SER 57 -10.810 5.804 8.430 504 HA SER 57 HA SER 57 -13.030 6.437 10.197 505 HB2 SER 57 HB2 SER 57 -12.725 6.857 7.228 506 HB3 SER 57 HB1 SER 57 -13.930 7.590 8.293 507 HG SER 57 HG SER 57 -12.542 8.947 8.992 508 H SER 58 HN SER 58 -11.931 3.798 8.332 509 HA SER 58 HA SER 58 -14.670 2.788 8.212 510 HB2 SER 58 HB2 SER 58 -14.144 3.734 6.001 511 HB3 SER 58 HB1 SER 58 -12.768 2.641 5.868 512 HG SER 58 HG SER 58 -15.231 1.517 6.459 513 H GLY 59 HN GLY 59 -11.209 1.970 8.275 514 HA2 GLY 59 HA2 GLY 59 -10.467 0.082 9.512 515 HA3 GLY 59 HA1 GLY 59 -12.029 -0.681 9.228 516 H TYR 60 HN TYR 60 -10.322 0.903 6.688 517 HA TYR 60 HA TYR 60 -9.681 -1.684 5.486 518 HB2 TYR 60 HB2 TYR 60 -10.211 1.020 4.271 519 HB3 TYR 60 HB1 TYR 60 -9.354 -0.227 3.377 520 HD1 TYR 60 HD1 TYR 60 -12.585 0.670 4.919 521 HD2 TYR 60 HD2 TYR 60 -10.508 -2.064 2.422 522 HE1 TYR 60 HE1 TYR 60 -14.735 -0.267 4.161 523 HE2 TYR 60 HE2 TYR 60 -12.645 -3.008 1.664 524 HH TYR 60 HH TYR 60 -15.638 -1.509 2.247 525 H ARG 61 HN ARG 61 -7.612 -2.002 4.633 526 HA ARG 61 HA ARG 61 -5.572 -0.112 5.557 527 HB2 ARG 61 HB2 ARG 61 -5.597 -3.090 6.028 528 HB3 ARG 61 HB1 ARG 61 -4.289 -1.994 6.460 529 HG2 ARG 61 HG2 ARG 61 -5.582 -0.928 8.108 530 HG3 ARG 61 HG1 ARG 61 -7.075 -1.656 7.513 531 HD2 ARG 61 HD2 ARG 61 -6.465 -2.794 9.486 532 HD3 ARG 61 HD1 ARG 61 -6.171 -3.827 8.090 533 HE ARG 61 HE ARG 61 -3.781 -2.858 8.341 534 HH11 ARG 61 HH11 ARG 61 -5.904 -3.990 11.010 535 HH12 ARG 61 HH12 ARG 61 -4.599 -4.503 11.949 536 HH21 ARG 61 HH21 ARG 61 -2.039 -3.654 9.712 537 HH22 ARG 61 HH22 ARG 61 -2.432 -4.266 11.257 538 H LEU 62 HN LEU 62 -3.707 -0.161 4.349 539 HA LEU 62 HA LEU 62 -3.670 -1.872 1.973 540 HB2 LEU 62 HB2 LEU 62 -4.579 0.415 1.465 541 HB3 LEU 62 HB1 LEU 62 -3.111 1.111 2.085 542 HG LEU 62 HG LEU 62 -3.098 -0.707 -0.329 543 HD11 LEU 62 HD11 LEU 62 -4.644 1.136 -0.767 544 HD12 LEU 62 HD12 LEU 62 -3.159 1.322 -1.695 545 HD13 LEU 62 HD13 LEU 62 -3.421 2.294 -0.241 546 HD21 LEU 62 HD21 LEU 62 -1.268 1.477 0.623 547 HD22 LEU 62 HD22 LEU 62 -1.057 0.531 -0.851 548 HD23 LEU 62 HD23 LEU 62 -0.936 -0.253 0.728 549 H VAL 63 HN VAL 63 -1.632 -2.752 1.587 550 HA VAL 63 HA VAL 63 0.550 -1.758 3.287 551 HB VAL 63 HB VAL 63 0.028 -4.661 2.545 552 HG11 VAL 63 HG11 VAL 63 2.151 -3.449 4.320 553 HG12 VAL 63 HG12 VAL 63 2.410 -4.182 2.739 554 HG13 VAL 63 HG13 VAL 63 1.876 -5.175 4.095 555 HG21 VAL 63 HG21 VAL 63 -0.244 -3.280 5.218 556 HG22 VAL 63 HG22 VAL 63 -0.422 -5.013 4.938 557 HG23 VAL 63 HG23 VAL 63 -1.569 -3.880 4.220 558 H TYR 64 HN TYR 64 2.362 -1.278 2.262 559 HA TYR 64 HA TYR 64 2.832 -2.336 -0.411 560 HB2 TYR 64 HB2 TYR 64 3.388 -0.083 -1.285 561 HB3 TYR 64 HB1 TYR 64 1.705 -0.242 -0.830 562 HD1 TYR 64 HD2 TYR 64 4.952 1.063 0.501 563 HD2 TYR 64 HD1 TYR 64 0.731 1.345 0.471 564 HE1 TYR 64 HE2 TYR 64 5.084 3.110 1.847 565 HE2 TYR 64 HE1 TYR 64 0.844 3.380 1.792 566 HH TYR 64 HH TYR 64 3.717 5.086 2.314 567 H GLN 65 HN GLN 65 5.029 -2.050 -1.119 568 HA GLN 65 HA GLN 65 6.843 -1.625 1.139 569 HB2 GLN 65 HB2 GLN 65 8.451 -3.084 0.111 570 HB3 GLN 65 HB1 GLN 65 6.919 -3.934 0.121 571 HG2 GLN 65 HG2 GLN 65 6.610 -3.506 -2.220 572 HG3 GLN 65 HG1 GLN 65 8.040 -2.475 -2.263 573 HE21 GLN 65 HE21 GLN 65 10.071 -3.450 -1.913 574 HE22 GLN 65 HE22 GLN 65 10.340 -5.101 -2.305 575 H VAL 66 HN VAL 66 8.454 -0.126 0.901 576 HA VAL 66 HA VAL 66 8.288 1.458 -1.553 577 HB VAL 66 HB VAL 66 9.437 2.221 1.157 578 HG11 VAL 66 HG11 VAL 66 9.656 4.488 0.220 579 HG12 VAL 66 HG12 VAL 66 9.160 3.874 -1.360 580 HG13 VAL 66 HG13 VAL 66 10.666 3.321 -0.633 581 HG21 VAL 66 HG21 VAL 66 7.566 3.796 1.257 582 HG22 VAL 66 HG22 VAL 66 7.021 2.122 1.162 583 HG23 VAL 66 HG23 VAL 66 6.948 3.148 -0.264 584 H ILE 67 HN ILE 67 9.746 0.932 -2.973 585 HA ILE 67 HA ILE 67 12.307 -0.107 -2.047 586 HB ILE 67 HB ILE 67 11.338 0.211 -4.915 587 HG12 ILE 67 HG12 ILE 67 11.175 -2.286 -3.202 588 HG13 ILE 67 HG11 ILE 67 9.804 -1.244 -3.561 589 HG21 ILE 67 HG21 ILE 67 13.066 -1.469 -5.390 590 HG22 ILE 67 HG22 ILE 67 13.460 -1.557 -3.681 591 HG23 ILE 67 HG23 ILE 67 13.772 -0.068 -4.580 592 HD11 ILE 67 HD11 ILE 67 10.012 -1.760 -5.923 593 HD12 ILE 67 HD12 ILE 67 9.853 -3.242 -4.976 594 HD13 ILE 67 HD13 ILE 67 11.430 -2.750 -5.596 595 H ASP 68 HN ASP 68 13.310 1.700 -1.331 596 HA ASP 68 HA ASP 68 12.954 4.261 -2.524 597 HB2 ASP 68 HB2 ASP 68 13.551 3.915 -0.132 598 HB3 ASP 68 HB1 ASP 68 15.156 3.401 -0.644 599 H GLU 69 HN GLU 69 15.269 1.763 -2.760 600 HA GLU 69 HA GLU 69 17.353 2.978 -4.130 601 HB2 GLU 69 HB2 GLU 69 16.325 0.148 -4.352 602 HB3 GLU 69 HB1 GLU 69 17.921 0.704 -4.846 603 HG2 GLU 69 HG2 GLU 69 18.501 1.247 -2.588 604 HG3 GLU 69 HG1 GLU 69 16.866 0.907 -2.040 605 H LYS 70 HN LYS 70 14.293 1.705 -5.323 606 HA LYS 70 HA LYS 70 15.030 2.428 -8.085 607 HB2 LYS 70 HB2 LYS 70 12.745 0.779 -7.016 608 HB3 LYS 70 HB1 LYS 70 12.988 1.148 -8.718 609 HG2 LYS 70 HG2 LYS 70 15.049 -0.136 -8.696 610 HG3 LYS 70 HG1 LYS 70 14.854 -0.443 -6.965 611 HD2 LYS 70 HD2 LYS 70 12.695 -1.559 -7.439 612 HD3 LYS 70 HD1 LYS 70 12.970 -1.298 -9.157 613 HE2 LYS 70 HE2 LYS 70 14.928 -2.698 -9.102 614 HE3 LYS 70 HE1 LYS 70 14.796 -2.878 -7.354 615 HZ1 LYS 70 HZ1 LYS 70 13.909 -4.791 -8.525 616 HZ2 LYS 70 HZ2 LYS 70 12.778 -3.832 -9.319 617 HZ3 LYS 70 HZ3 LYS 70 12.698 -4.023 -7.666 618 H VAL 71 HN VAL 71 13.650 3.720 -5.452 619 HA VAL 71 HA VAL 71 12.222 5.238 -4.847 620 HB VAL 71 HB VAL 71 13.832 6.628 -6.184 621 HG11 VAL 71 HG11 VAL 71 11.792 6.653 -8.366 622 HG12 VAL 71 HG12 VAL 71 13.406 5.947 -8.419 623 HG13 VAL 71 HG13 VAL 71 13.213 7.697 -8.265 624 HG21 VAL 71 HG21 VAL 71 11.051 7.744 -6.021 625 HG22 VAL 71 HG22 VAL 71 12.515 8.709 -6.216 626 HG23 VAL 71 HG23 VAL 71 12.271 7.759 -4.750 627 H VAL 72 HN VAL 72 10.956 3.070 -5.545 628 HA VAL 72 HA VAL 72 8.435 4.123 -6.601 629 HB VAL 72 HB VAL 72 9.422 2.733 -8.384 630 HG11 VAL 72 HG11 VAL 72 9.417 0.487 -6.388 631 HG12 VAL 72 HG12 VAL 72 10.830 1.299 -7.053 632 HG13 VAL 72 HG13 VAL 72 9.785 0.338 -8.108 633 HG21 VAL 72 HG21 VAL 72 6.976 2.701 -8.176 634 HG22 VAL 72 HG22 VAL 72 7.084 1.337 -7.068 635 HG23 VAL 72 HG23 VAL 72 7.581 1.146 -8.747 636 H VAL 73 HN VAL 73 6.686 3.616 -5.536 637 HA VAL 73 HA VAL 73 6.874 2.013 -3.118 638 HB VAL 73 HB VAL 73 4.795 4.013 -4.062 639 HG11 VAL 73 HG11 VAL 73 3.913 3.888 -1.774 640 HG12 VAL 73 HG12 VAL 73 5.067 2.606 -1.412 641 HG13 VAL 73 HG13 VAL 73 3.808 2.347 -2.619 642 HG21 VAL 73 HG21 VAL 73 6.854 5.147 -3.530 643 HG22 VAL 73 HG22 VAL 73 6.960 4.309 -1.990 644 HG23 VAL 73 HG23 VAL 73 5.662 5.474 -2.271 645 H PHE 74 HN PHE 74 6.111 0.022 -3.359 646 HA PHE 74 HA PHE 74 4.335 -0.527 -5.626 647 HB2 PHE 74 HB2 PHE 74 6.580 -1.528 -5.774 648 HB3 PHE 74 HB1 PHE 74 6.328 -2.321 -4.232 649 HD1 PHE 74 HD1 PHE 74 5.408 -2.262 -7.769 650 HD2 PHE 74 HD2 PHE 74 4.987 -4.293 -4.065 651 HE1 PHE 74 HE1 PHE 74 4.479 -4.204 -8.946 652 HE2 PHE 74 HE2 PHE 74 4.053 -6.228 -5.215 653 HZ PHE 74 HZ PHE 74 3.795 -6.201 -7.672 654 H VAL 75 HN VAL 75 2.318 -0.777 -4.947 655 HA VAL 75 HA VAL 75 1.668 -1.627 -2.277 656 HB VAL 75 HB VAL 75 -0.153 -1.238 -4.678 657 HG11 VAL 75 HG11 VAL 75 -1.189 -2.665 -3.019 658 HG12 VAL 75 HG12 VAL 75 -1.974 -1.085 -3.027 659 HG13 VAL 75 HG13 VAL 75 -0.827 -1.496 -1.752 660 HG21 VAL 75 HG21 VAL 75 0.985 0.832 -4.092 661 HG22 VAL 75 HG22 VAL 75 0.490 0.652 -2.410 662 HG23 VAL 75 HG23 VAL 75 -0.723 0.928 -3.660 663 H ILE 76 HN ILE 76 1.501 -3.632 -1.622 664 HA ILE 76 HA ILE 76 1.716 -5.754 -3.619 665 HB ILE 76 HB ILE 76 1.914 -5.966 -0.596 666 HG12 ILE 76 HG12 ILE 76 4.156 -5.772 -2.627 667 HG13 ILE 76 HG11 ILE 76 3.652 -4.463 -1.565 668 HG21 ILE 76 HG21 ILE 76 1.405 -8.102 -1.707 669 HG22 ILE 76 HG22 ILE 76 3.046 -8.120 -1.070 670 HG23 ILE 76 HG23 ILE 76 2.778 -7.881 -2.789 671 HD11 ILE 76 HD11 ILE 76 4.798 -7.109 -0.705 672 HD12 ILE 76 HD12 ILE 76 4.275 -5.819 0.371 673 HD13 ILE 76 HD13 ILE 76 5.643 -5.558 -0.720 674 H SER 77 HN SER 77 -0.345 -4.711 -0.909 675 HA SER 77 HA SER 77 -2.534 -6.235 -1.998 676 HB2 SER 77 HB2 SER 77 -1.397 -6.740 0.765 677 HB3 SER 77 HB1 SER 77 -2.934 -7.398 0.169 678 HG SER 77 HG SER 77 -0.989 -7.873 -1.581 679 H VAL 78 HN VAL 78 -4.575 -5.466 -1.227 680 HA VAL 78 HA VAL 78 -4.553 -3.244 0.627 681 HB VAL 78 HB VAL 78 -4.156 -2.137 -1.527 682 HG11 VAL 78 HG11 VAL 78 -6.655 -3.497 -2.489 683 HG12 VAL 78 HG12 VAL 78 -5.006 -3.816 -3.028 684 HG13 VAL 78 HG13 VAL 78 -5.757 -2.255 -3.367 685 HG21 VAL 78 HG21 VAL 78 -6.084 -0.623 -1.601 686 HG22 VAL 78 HG22 VAL 78 -5.594 -0.969 0.059 687 HG23 VAL 78 HG23 VAL 78 -7.011 -1.763 -0.625 688 H GLY 79 HN GLY 79 -6.480 -3.094 1.779 689 HA2 GLY 79 HA2 GLY 79 -8.980 -3.388 1.103 690 HA3 GLY 79 HA1 GLY 79 -8.488 -5.078 1.134 691 H LYS 80 HN LYS 80 -8.127 -6.056 3.014 692 HA LYS 80 HA LYS 80 -8.306 -4.479 5.442 693 HB2 LYS 80 HB2 LYS 80 -10.105 -6.746 4.642 694 HB3 LYS 80 HB1 LYS 80 -9.789 -6.401 6.333 695 HG2 LYS 80 HG2 LYS 80 -10.717 -4.170 6.073 696 HG3 LYS 80 HG1 LYS 80 -10.950 -4.460 4.348 697 HD2 LYS 80 HD2 LYS 80 -12.603 -6.095 4.753 698 HD3 LYS 80 HD1 LYS 80 -12.202 -6.191 6.466 699 HE2 LYS 80 HE2 LYS 80 -13.320 -3.748 5.109 700 HE3 LYS 80 HE1 LYS 80 -14.287 -4.937 5.979 701 HZ1 LYS 80 HZ1 LYS 80 -12.103 -3.298 7.204 702 HZ2 LYS 80 HZ2 LYS 80 -13.074 -4.435 7.986 703 HZ3 LYS 80 HZ3 LYS 80 -13.764 -3.041 7.371 704 H ALA 81 HN ALA 81 -7.194 -5.362 7.127 705 HA ALA 81 HA ALA 81 -5.499 -7.602 6.375 706 HB1 ALA 81 HB1 ALA 81 -5.234 -5.749 8.747 707 HB2 ALA 81 HB2 ALA 81 -4.335 -5.613 7.240 708 HB3 ALA 81 HB3 ALA 81 -4.091 -7.015 8.290 709 H GLU 82 HN GLU 82 -7.184 -9.027 6.512 710 HA GLU 82 HA GLU 82 -8.385 -9.383 9.118 711 HB2 GLU 82 HB2 GLU 82 -9.663 -9.202 6.855 712 HB3 GLU 82 HB1 GLU 82 -9.151 -10.872 6.630 713 HG2 GLU 82 HG2 GLU 82 -11.387 -10.718 7.585 714 HG3 GLU 82 HG1 GLU 82 -10.252 -11.502 8.694 715 H ALA 83 HN ALA 83 -7.227 -10.567 10.332 716 HA ALA 83 HA ALA 83 -6.051 -12.167 11.229 717 HB1 ALA 83 HB1 ALA 83 -6.599 -13.853 8.772 718 HB2 ALA 83 HB2 ALA 83 -7.601 -13.806 10.221 719 HB3 ALA 83 HB3 ALA 83 -5.956 -14.440 10.305 720 H SER 84 HN SER 84 -4.875 -13.043 7.963 721 HA SER 84 HA SER 84 -2.484 -11.462 8.517 722 HB2 SER 84 HB2 SER 84 -2.304 -14.469 8.308 723 HB3 SER 84 HB1 SER 84 -0.941 -13.360 8.408 724 HG SER 84 HG SER 84 -2.577 -12.797 10.406 725 H GLU 85 HN GLU 85 -4.620 -12.230 6.149 726 HA GLU 85 HA GLU 85 -3.079 -13.479 4.177 727 HB2 GLU 85 HB2 GLU 85 -5.519 -13.362 4.025 728 HB3 GLU 85 HB1 GLU 85 -5.436 -11.639 3.715 729 HG2 GLU 85 HG2 GLU 85 -4.185 -12.092 1.641 730 HG3 GLU 85 HG1 GLU 85 -4.354 -13.818 1.941 731 H VAL 86 HN VAL 86 -3.635 -9.976 4.533 732 HA VAL 86 HA VAL 86 -2.096 -9.298 2.276 733 HB VAL 86 HB VAL 86 -1.939 -6.989 3.185 734 HG11 VAL 86 HG11 VAL 86 -3.896 -7.610 1.909 735 HG12 VAL 86 HG12 VAL 86 -4.358 -6.514 3.212 736 HG13 VAL 86 HG13 VAL 86 -4.671 -8.240 3.355 737 HG21 VAL 86 HG21 VAL 86 -3.105 -6.432 5.286 738 HG22 VAL 86 HG22 VAL 86 -1.713 -7.480 5.555 739 HG23 VAL 86 HG23 VAL 86 -3.342 -8.153 5.596 740 H TYR 87 HN TYR 87 -1.077 -10.072 5.493 741 HA TYR 87 HA TYR 87 1.547 -8.952 5.022 742 HB2 TYR 87 HB2 TYR 87 0.472 -10.428 7.423 743 HB3 TYR 87 HB1 TYR 87 2.109 -9.804 7.293 744 HD1 TYR 87 HD1 TYR 87 2.033 -7.230 6.314 745 HD2 TYR 87 HD2 TYR 87 -0.890 -9.110 8.759 746 HE1 TYR 87 HE1 TYR 87 1.322 -5.038 7.126 747 HE2 TYR 87 HE2 TYR 87 -1.620 -6.904 9.575 748 HH TYR 87 HH TYR 87 -0.453 -4.692 9.816 749 H SER 88 HN SER 88 0.088 -12.141 5.410 750 HA SER 88 HA SER 88 2.502 -13.523 5.119 751 HB2 SER 88 HB2 SER 88 -0.347 -14.407 4.696 752 HB3 SER 88 HB1 SER 88 1.048 -15.487 4.798 753 HG SER 88 HG SER 88 0.356 -15.417 6.832 754 H GLU 89 HN GLU 89 0.208 -12.227 2.825 755 HA GLU 89 HA GLU 89 1.071 -13.487 0.479 756 HB2 GLU 89 HB2 GLU 89 -0.928 -12.018 0.658 757 HB3 GLU 89 HB1 GLU 89 0.122 -10.638 0.905 758 HG2 GLU 89 HG2 GLU 89 -0.654 -10.602 -1.342 759 HG3 GLU 89 HG1 GLU 89 1.057 -11.008 -1.361 760 H ALA 90 HN ALA 90 2.088 -10.517 2.062 761 HA ALA 90 HA ALA 90 4.102 -9.883 0.200 762 HB1 ALA 90 HB1 ALA 90 2.922 -8.202 1.509 763 HB2 ALA 90 HB2 ALA 90 4.670 -8.085 1.719 764 HB3 ALA 90 HB3 ALA 90 3.678 -8.821 2.977 765 H VAL 91 HN VAL 91 4.289 -11.179 3.539 766 HA VAL 91 HA VAL 91 7.119 -11.116 3.514 767 HB VAL 91 HB VAL 91 5.846 -11.002 5.629 768 HG11 VAL 91 HG11 VAL 91 5.340 -13.921 5.223 769 HG12 VAL 91 HG12 VAL 91 4.158 -12.606 5.230 770 HG13 VAL 91 HG13 VAL 91 5.022 -13.023 6.713 771 HG21 VAL 91 HG21 VAL 91 8.199 -11.513 5.744 772 HG22 VAL 91 HG22 VAL 91 7.868 -13.228 5.511 773 HG23 VAL 91 HG23 VAL 91 7.337 -12.423 6.989 774 H LYS 92 HN LYS 92 4.888 -13.740 2.671 775 HA LYS 92 HA LYS 92 7.102 -15.537 2.298 776 HB2 LYS 92 HB2 LYS 92 4.190 -15.775 1.603 777 HB3 LYS 92 HB1 LYS 92 5.347 -16.871 0.889 778 HG2 LYS 92 HG2 LYS 92 4.548 -18.090 2.679 779 HG3 LYS 92 HG1 LYS 92 6.016 -17.392 3.331 780 HD2 LYS 92 HD2 LYS 92 4.774 -15.758 4.557 781 HD3 LYS 92 HD1 LYS 92 3.267 -16.212 3.756 782 HE2 LYS 92 HE2 LYS 92 3.562 -18.521 4.721 783 HE3 LYS 92 HE1 LYS 92 4.912 -17.889 5.653 784 HZ1 LYS 92 HZ1 LYS 92 3.334 -16.340 6.748 785 HZ2 LYS 92 HZ2 LYS 92 2.927 -17.931 6.981 786 HZ3 LYS 92 HZ3 LYS 92 2.062 -17.034 5.873 787 H ARG 93 HN ARG 93 5.957 -12.934 0.560 788 HA ARG 93 HA ARG 93 6.459 -14.047 -2.057 789 HB2 ARG 93 HB2 ARG 93 4.698 -12.323 -1.503 790 HB3 ARG 93 HB1 ARG 93 6.012 -11.162 -1.391 791 HG2 ARG 93 HG2 ARG 93 6.636 -11.643 -3.676 792 HG3 ARG 93 HG1 ARG 93 5.309 -12.802 -3.798 793 HD2 ARG 93 HD2 ARG 93 3.801 -10.884 -3.102 794 HD3 ARG 93 HD1 ARG 93 5.176 -9.835 -3.449 795 HE ARG 93 HE ARG 93 4.430 -11.702 -5.493 796 HH11 ARG 93 HH11 ARG 93 4.476 -8.341 -4.435 797 HH12 ARG 93 HH12 ARG 93 3.648 -7.766 -5.816 798 HH21 ARG 93 HH21 ARG 93 3.366 -10.896 -7.389 799 HH22 ARG 93 HH22 ARG 93 2.942 -9.245 -7.484 800 H ILE 94 HN ILE 94 7.903 -11.576 0.050 801 HA ILE 94 HA ILE 94 10.165 -11.371 -1.706 802 HB ILE 94 HB ILE 94 9.765 -10.126 1.062 803 HG12 ILE 94 HG12 ILE 94 9.839 -7.939 -0.252 804 HG13 ILE 94 HG11 ILE 94 9.729 -8.905 -1.713 805 HG21 ILE 94 HG21 ILE 94 12.134 -10.536 0.749 806 HG22 ILE 94 HG22 ILE 94 11.808 -8.805 0.641 807 HG23 ILE 94 HG23 ILE 94 12.089 -9.738 -0.823 808 HD11 ILE 94 HD11 ILE 94 7.664 -8.745 0.468 809 HD12 ILE 94 HD12 ILE 94 7.544 -9.713 -1.002 810 HD13 ILE 94 HD13 ILE 94 7.589 -7.953 -1.107 811 H LEU 95 HN LEU 95 10.846 -13.393 -1.849 812 HA LEU 95 HA LEU 95 12.677 -14.279 0.137 813 HB2 LEU 95 HB2 LEU 95 10.469 -15.197 0.916 814 HB3 LEU 95 HB1 LEU 95 10.312 -16.021 -0.618 815 HG LEU 95 HG LEU 95 12.342 -17.346 -0.069 816 HD11 LEU 95 HD11 LEU 95 13.412 -15.788 1.467 817 HD12 LEU 95 HD12 LEU 95 13.158 -17.352 2.241 818 HD13 LEU 95 HD13 LEU 95 12.092 -15.998 2.616 819 HD21 LEU 95 HD21 LEU 95 10.100 -17.474 1.947 820 HD22 LEU 95 HD22 LEU 95 11.251 -18.766 1.606 821 HD23 LEU 95 HD23 LEU 95 10.118 -18.244 0.359 Start of MODEL 18 1 H MET 1 H MET 1 10.733 15.561 -1.172 2 HA MET 1 HA MET 1 10.631 15.415 -4.106 3 HB2 MET 1 HB2 MET 1 12.899 15.138 -3.293 4 HB3 MET 1 HB1 MET 1 12.357 13.972 -2.089 5 HG2 MET 1 HG2 MET 1 13.451 12.877 -3.970 6 HG3 MET 1 HG1 MET 1 11.750 12.419 -3.866 7 HE1 MET 1 HE1 MET 1 12.420 12.340 -7.705 8 HE2 MET 1 HE2 MET 1 11.819 11.450 -6.306 9 HE3 MET 1 HE3 MET 1 13.526 11.873 -6.414 10 H ALA 2 HN ALA 2 9.486 13.783 -4.899 11 HA ALA 2 HA ALA 2 7.951 12.189 -2.970 12 HB1 ALA 2 HB1 ALA 2 6.927 13.410 -5.534 13 HB2 ALA 2 HB2 ALA 2 6.550 13.969 -3.903 14 HB3 ALA 2 HB3 ALA 2 6.007 12.379 -4.440 15 H TYR 3 HN TYR 3 7.275 10.159 -3.720 16 HA TYR 3 HA TYR 3 9.103 8.965 -5.691 17 HB2 TYR 3 HB2 TYR 3 7.359 7.712 -3.553 18 HB3 TYR 3 HB1 TYR 3 8.313 6.796 -4.706 19 HD1 TYR 3 HD2 TYR 3 9.069 9.747 -2.523 20 HD2 TYR 3 HD1 TYR 3 10.059 5.761 -3.601 21 HE1 TYR 3 HE2 TYR 3 10.907 9.779 -0.923 22 HE2 TYR 3 HE1 TYR 3 11.914 5.788 -1.985 23 HH TYR 3 HH TYR 3 13.287 7.304 -0.789 24 H PHE 4 HN PHE 4 8.076 7.095 -6.924 25 HA PHE 4 HA PHE 4 5.580 7.980 -8.141 26 HB2 PHE 4 HB2 PHE 4 7.490 5.732 -8.802 27 HB3 PHE 4 HB1 PHE 4 6.070 6.086 -9.760 28 HD1 PHE 4 HD1 PHE 4 5.956 8.589 -10.626 29 HD2 PHE 4 HD2 PHE 4 9.514 6.609 -9.389 30 HE1 PHE 4 HE1 PHE 4 7.294 10.181 -11.940 31 HE2 PHE 4 HE2 PHE 4 10.859 8.202 -10.700 32 HZ PHE 4 HZ PHE 4 9.746 9.990 -11.977 33 H LEU 5 HN LEU 5 3.775 6.436 -8.359 34 HA LEU 5 HA LEU 5 3.769 4.394 -6.226 35 HB2 LEU 5 HB2 LEU 5 2.449 6.598 -5.848 36 HB3 LEU 5 HB1 LEU 5 1.382 6.021 -7.095 37 HG LEU 5 HG LEU 5 0.419 5.687 -4.899 38 HD11 LEU 5 HD11 LEU 5 -0.281 4.059 -6.470 39 HD12 LEU 5 HD12 LEU 5 -0.020 3.261 -4.904 40 HD13 LEU 5 HD13 LEU 5 1.172 3.101 -6.185 41 HD21 LEU 5 HD21 LEU 5 2.822 4.000 -4.301 42 HD22 LEU 5 HD22 LEU 5 1.387 4.124 -3.289 43 HD23 LEU 5 HD23 LEU 5 2.396 5.547 -3.556 44 H ASP 6 HN ASP 6 3.224 2.372 -6.972 45 HA ASP 6 HA ASP 6 1.453 2.145 -9.286 46 HB2 ASP 6 HB2 ASP 6 3.844 1.880 -10.139 47 HB3 ASP 6 HB1 ASP 6 3.994 0.509 -9.040 48 H PHE 7 HN PHE 7 0.515 -0.039 -9.402 49 HA PHE 7 HA PHE 7 0.261 -1.224 -6.704 50 HB2 PHE 7 HB2 PHE 7 -1.874 -1.017 -8.839 51 HB3 PHE 7 HB1 PHE 7 -2.056 -1.783 -7.276 52 HD1 PHE 7 HD1 PHE 7 -1.730 1.409 -9.047 53 HD2 PHE 7 HD2 PHE 7 -2.542 -0.486 -5.337 54 HE1 PHE 7 HE1 PHE 7 -2.618 3.523 -8.177 55 HE2 PHE 7 HE2 PHE 7 -3.422 1.625 -4.449 56 HZ PHE 7 HZ PHE 7 -3.464 3.635 -5.867 57 H ASP 8 HN ASP 8 0.626 -3.356 -6.610 58 HA ASP 8 HA ASP 8 1.337 -4.905 -8.867 59 HB2 ASP 8 HB2 ASP 8 0.724 -5.613 -6.012 60 HB3 ASP 8 HB1 ASP 8 1.049 -6.846 -7.223 61 H GLU 9 HN GLU 9 0.263 -6.801 -9.604 62 HA GLU 9 HA GLU 9 -2.382 -6.320 -10.367 63 HB2 GLU 9 HB2 GLU 9 -2.422 -8.566 -11.306 64 HB3 GLU 9 HB1 GLU 9 -0.888 -7.803 -11.669 65 HG2 GLU 9 HG2 GLU 9 -1.355 -9.882 -9.520 66 HG3 GLU 9 HG1 GLU 9 -0.686 -10.199 -11.117 67 H ARG 10 HN ARG 10 -1.065 -8.176 -7.734 68 HA ARG 10 HA ARG 10 -3.381 -9.457 -6.746 69 HB2 ARG 10 HB2 ARG 10 -1.196 -8.276 -5.007 70 HB3 ARG 10 HB1 ARG 10 -2.181 -9.691 -4.672 71 HG2 ARG 10 HG2 ARG 10 -1.068 -10.931 -6.421 72 HG3 ARG 10 HG1 ARG 10 -0.138 -9.508 -6.880 73 HD2 ARG 10 HD2 ARG 10 0.755 -9.547 -4.481 74 HD3 ARG 10 HD1 ARG 10 0.071 -11.172 -4.388 75 HE ARG 10 HE ARG 10 1.882 -10.474 -6.557 76 HH11 ARG 10 HH11 ARG 10 1.277 -12.465 -3.656 77 HH12 ARG 10 HH12 ARG 10 2.625 -13.464 -3.891 78 HH21 ARG 10 HH21 ARG 10 3.760 -11.870 -6.868 79 HH22 ARG 10 HH22 ARG 10 4.071 -13.142 -5.789 80 H ALA 11 HN ALA 11 -1.936 -6.335 -5.950 81 HA ALA 11 HA ALA 11 -3.926 -5.440 -4.182 82 HB1 ALA 11 HB1 ALA 11 -1.921 -3.836 -5.746 83 HB2 ALA 11 HB2 ALA 11 -1.648 -4.574 -4.168 84 HB3 ALA 11 HB3 ALA 11 -2.843 -3.286 -4.347 85 H LEU 12 HN LEU 12 -3.516 -5.156 -7.669 86 HA LEU 12 HA LEU 12 -5.364 -3.069 -8.060 87 HB2 LEU 12 HB2 LEU 12 -4.272 -5.194 -9.861 88 HB3 LEU 12 HB1 LEU 12 -5.517 -4.098 -10.410 89 HG LEU 12 HG LEU 12 -2.796 -3.224 -9.408 90 HD11 LEU 12 HD11 LEU 12 -2.618 -4.493 -11.501 91 HD12 LEU 12 HD12 LEU 12 -2.299 -2.779 -11.762 92 HD13 LEU 12 HD13 LEU 12 -3.857 -3.467 -12.225 93 HD21 LEU 12 HD21 LEU 12 -5.030 -1.728 -10.790 94 HD22 LEU 12 HD22 LEU 12 -3.439 -1.070 -10.430 95 HD23 LEU 12 HD23 LEU 12 -4.522 -1.516 -9.114 96 H LYS 13 HN LYS 13 -5.653 -6.498 -7.958 97 HA LYS 13 HA LYS 13 -8.347 -6.666 -8.716 98 HB2 LYS 13 HB2 LYS 13 -6.632 -8.443 -7.019 99 HB3 LYS 13 HB1 LYS 13 -8.241 -8.872 -7.591 100 HG2 LYS 13 HG2 LYS 13 -7.534 -8.823 -9.855 101 HG3 LYS 13 HG1 LYS 13 -5.978 -8.118 -9.408 102 HD2 LYS 13 HD2 LYS 13 -5.372 -10.057 -8.235 103 HD3 LYS 13 HD1 LYS 13 -6.943 -10.832 -8.530 104 HE2 LYS 13 HE2 LYS 13 -6.425 -10.630 -10.990 105 HE3 LYS 13 HE1 LYS 13 -4.808 -10.099 -10.532 106 HZ1 LYS 13 HZ1 LYS 13 -4.807 -12.443 -10.995 107 HZ2 LYS 13 HZ2 LYS 13 -6.053 -12.701 -9.892 108 HZ3 LYS 13 HZ3 LYS 13 -4.542 -12.210 -9.341 109 H GLU 14 HN GLU 14 -6.759 -6.390 -5.550 110 HA GLU 14 HA GLU 14 -9.202 -6.400 -4.134 111 HB2 GLU 14 HB2 GLU 14 -6.538 -5.320 -3.220 112 HB3 GLU 14 HB1 GLU 14 -7.918 -5.658 -2.182 113 HG2 GLU 14 HG2 GLU 14 -7.744 -8.049 -3.059 114 HG3 GLU 14 HG1 GLU 14 -6.158 -7.567 -3.653 115 H TRP 15 HN TRP 15 -7.248 -3.869 -5.470 116 HA TRP 15 HA TRP 15 -8.548 -1.605 -4.389 117 HB2 TRP 15 HB2 TRP 15 -6.325 -1.681 -5.548 118 HB3 TRP 15 HB1 TRP 15 -7.156 -1.959 -7.060 119 HD1 TRP 15 HD1 TRP 15 -7.978 0.147 -8.360 120 HE1 TRP 15 HE1 TRP 15 -7.716 2.697 -7.955 121 HE3 TRP 15 HE3 TRP 15 -6.289 0.057 -3.537 122 HZ2 TRP 15 HZ2 TRP 15 -6.906 4.413 -5.883 123 HZ3 TRP 15 HZ3 TRP 15 -5.789 2.190 -2.424 124 HH2 TRP 15 HH2 TRP 15 -6.089 4.314 -3.568 125 H ARG 16 HN ARG 16 -9.145 -3.528 -7.299 126 HA ARG 16 HA ARG 16 -11.411 -1.997 -8.157 127 HB2 ARG 16 HB2 ARG 16 -10.519 -4.789 -8.891 128 HB3 ARG 16 HB1 ARG 16 -11.868 -3.965 -9.647 129 HG2 ARG 16 HG2 ARG 16 -10.377 -2.259 -10.508 130 HG3 ARG 16 HG1 ARG 16 -9.011 -3.023 -9.691 131 HD2 ARG 16 HD2 ARG 16 -9.024 -3.666 -12.020 132 HD3 ARG 16 HD1 ARG 16 -9.380 -5.055 -11.004 133 HE ARG 16 HE ARG 16 -11.785 -3.850 -11.788 134 HH11 ARG 16 HH11 ARG 16 -9.186 -5.828 -13.129 135 HH12 ARG 16 HH12 ARG 16 -10.109 -6.471 -14.406 136 HH21 ARG 16 HH21 ARG 16 -13.090 -4.749 -13.511 137 HH22 ARG 16 HH22 ARG 16 -12.413 -5.839 -14.632 138 H LYS 17 HN LYS 17 -10.885 -4.605 -6.014 139 HA LYS 17 HA LYS 17 -13.562 -5.540 -5.721 140 HB2 LYS 17 HB2 LYS 17 -11.606 -6.877 -5.135 141 HB3 LYS 17 HB1 LYS 17 -11.121 -5.668 -3.967 142 HG2 LYS 17 HG2 LYS 17 -13.067 -6.201 -2.612 143 HG3 LYS 17 HG1 LYS 17 -13.542 -7.439 -3.785 144 HD2 LYS 17 HD2 LYS 17 -11.408 -8.597 -3.414 145 HD3 LYS 17 HD1 LYS 17 -10.939 -7.359 -2.258 146 HE2 LYS 17 HE2 LYS 17 -13.368 -9.079 -2.007 147 HE3 LYS 17 HE1 LYS 17 -11.821 -9.458 -1.237 148 HZ1 LYS 17 HZ1 LYS 17 -13.455 -7.028 -0.770 149 HZ2 LYS 17 HZ2 LYS 17 -12.015 -7.441 0.037 150 HZ3 LYS 17 HZ3 LYS 17 -13.389 -8.374 0.238 151 H LEU 18 HN LEU 18 -11.491 -3.236 -4.090 152 HA LEU 18 HA LEU 18 -13.149 -2.514 -2.010 153 HB2 LEU 18 HB2 LEU 18 -10.707 -1.568 -3.230 154 HB3 LEU 18 HB1 LEU 18 -11.689 -0.253 -2.626 155 HG LEU 18 HG LEU 18 -11.666 -1.224 -0.409 156 HD11 LEU 18 HD11 LEU 18 -10.226 -3.115 0.131 157 HD12 LEU 18 HD12 LEU 18 -9.886 -3.344 -1.588 158 HD13 LEU 18 HD13 LEU 18 -11.524 -3.569 -0.972 159 HD21 LEU 18 HD21 LEU 18 -9.313 -0.857 0.083 160 HD22 LEU 18 HD22 LEU 18 -9.986 0.351 -1.010 161 HD23 LEU 18 HD23 LEU 18 -8.950 -0.930 -1.645 162 H GLY 19 HN GLY 19 -14.377 -0.688 -1.732 163 HA2 GLY 19 HA2 GLY 19 -15.986 0.114 -3.952 164 HA3 GLY 19 HA1 GLY 19 -16.082 0.742 -2.308 165 H SER 20 HN SER 20 -16.096 2.145 -4.886 166 HA SER 20 HA SER 20 -13.768 3.356 -5.610 167 HB2 SER 20 HB2 SER 20 -16.524 4.572 -5.528 168 HB3 SER 20 HB1 SER 20 -15.184 5.096 -6.551 169 HG SER 20 HG SER 20 -15.702 3.636 -7.892 170 H THR 21 HN THR 21 -16.046 4.454 -3.130 171 HA THR 21 HA THR 21 -14.746 6.876 -2.520 172 HB THR 21 HB THR 21 -16.538 5.205 -0.741 173 HG1 THR 21 HG1 THR 21 -18.160 5.875 -1.951 174 HG21 THR 21 HG21 THR 21 -15.436 7.131 0.382 175 HG22 THR 21 HG22 THR 21 -17.183 7.336 0.243 176 HG23 THR 21 HG23 THR 21 -16.111 8.201 -0.853 177 H VAL 22 HN VAL 22 -14.455 3.623 -1.254 178 HA VAL 22 HA VAL 22 -12.863 4.232 1.014 179 HB VAL 22 HB VAL 22 -13.142 1.654 -0.563 180 HG11 VAL 22 HG11 VAL 22 -12.013 2.102 2.190 181 HG12 VAL 22 HG12 VAL 22 -11.101 1.646 0.752 182 HG13 VAL 22 HG13 VAL 22 -12.289 0.535 1.436 183 HG21 VAL 22 HG21 VAL 22 -14.679 0.982 1.237 184 HG22 VAL 22 HG22 VAL 22 -15.261 2.400 0.364 185 HG23 VAL 22 HG23 VAL 22 -14.522 2.586 1.954 186 H ARG 23 HN ARG 23 -12.172 3.073 -2.237 187 HA ARG 23 HA ARG 23 -9.398 3.097 -1.799 188 HB2 ARG 23 HB2 ARG 23 -9.134 2.727 -4.226 189 HB3 ARG 23 HB1 ARG 23 -10.235 1.591 -3.465 190 HG2 ARG 23 HG2 ARG 23 -12.071 2.534 -4.384 191 HG3 ARG 23 HG1 ARG 23 -11.284 4.022 -4.866 192 HD2 ARG 23 HD2 ARG 23 -9.869 2.676 -6.373 193 HD3 ARG 23 HD1 ARG 23 -10.779 1.228 -5.928 194 HE ARG 23 HE ARG 23 -11.917 3.582 -7.264 195 HH11 ARG 23 HH11 ARG 23 -11.803 0.039 -6.801 196 HH12 ARG 23 HH12 ARG 23 -12.994 -0.272 -7.978 197 HH21 ARG 23 HH21 ARG 23 -13.525 3.098 -8.905 198 HH22 ARG 23 HH22 ARG 23 -13.988 1.497 -9.202 199 H GLU 24 HN GLU 24 -11.592 5.558 -3.062 200 HA GLU 24 HA GLU 24 -9.686 7.325 -4.075 201 HB2 GLU 24 HB2 GLU 24 -12.292 7.924 -2.694 202 HB3 GLU 24 HB1 GLU 24 -11.325 9.148 -3.518 203 HG2 GLU 24 HG2 GLU 24 -11.582 7.884 -5.606 204 HG3 GLU 24 HG1 GLU 24 -12.573 6.710 -4.747 205 H GLN 25 HN GLN 25 -10.817 6.919 -0.769 206 HA GLN 25 HA GLN 25 -9.265 9.043 0.283 207 HB2 GLN 25 HB2 GLN 25 -10.793 6.799 1.449 208 HB3 GLN 25 HB1 GLN 25 -9.508 7.453 2.448 209 HG2 GLN 25 HG2 GLN 25 -11.696 8.449 2.909 210 HG3 GLN 25 HG1 GLN 25 -10.498 9.632 2.408 211 HE21 GLN 25 HE21 GLN 25 -13.423 7.997 1.564 212 HE22 GLN 25 HE22 GLN 25 -13.817 9.008 0.215 213 H LEU 26 HN LEU 26 -8.633 5.639 -0.146 214 HA LEU 26 HA LEU 26 -6.101 5.642 1.111 215 HB2 LEU 26 HB2 LEU 26 -7.236 3.872 -1.029 216 HB3 LEU 26 HB1 LEU 26 -5.714 3.563 -0.220 217 HG LEU 26 HG LEU 26 -8.439 3.625 1.110 218 HD11 LEU 26 HD11 LEU 26 -6.614 1.330 0.482 219 HD12 LEU 26 HD12 LEU 26 -8.152 1.693 -0.303 220 HD13 LEU 26 HD13 LEU 26 -8.116 1.242 1.400 221 HD21 LEU 26 HD21 LEU 26 -6.699 4.372 2.649 222 HD22 LEU 26 HD22 LEU 26 -5.713 2.973 2.234 223 HD23 LEU 26 HD23 LEU 26 -7.244 2.747 3.077 224 H LYS 27 HN LYS 27 -7.110 6.117 -2.216 225 HA LYS 27 HA LYS 27 -4.667 6.456 -3.490 226 HB2 LYS 27 HB2 LYS 27 -6.801 6.434 -4.673 227 HB3 LYS 27 HB1 LYS 27 -7.240 7.962 -3.928 228 HG2 LYS 27 HG2 LYS 27 -5.152 8.907 -5.048 229 HG3 LYS 27 HG1 LYS 27 -5.145 7.433 -6.015 230 HD2 LYS 27 HD2 LYS 27 -6.277 9.182 -7.248 231 HD3 LYS 27 HD1 LYS 27 -7.465 7.978 -6.750 232 HE2 LYS 27 HE2 LYS 27 -8.205 9.395 -4.923 233 HE3 LYS 27 HE1 LYS 27 -6.905 10.539 -5.250 234 HZ1 LYS 27 HZ1 LYS 27 -7.921 11.074 -7.328 235 HZ2 LYS 27 HZ2 LYS 27 -9.067 11.266 -6.129 236 HZ3 LYS 27 HZ3 LYS 27 -9.129 9.932 -7.141 237 H LYS 28 HN LYS 28 -6.636 8.846 -1.746 238 HA LYS 28 HA LYS 28 -5.021 11.117 -2.167 239 HB2 LYS 28 HB2 LYS 28 -6.820 10.443 0.163 240 HB3 LYS 28 HB1 LYS 28 -6.100 12.022 -0.111 241 HG2 LYS 28 HG2 LYS 28 -7.347 12.296 -2.139 242 HG3 LYS 28 HG1 LYS 28 -7.970 10.647 -2.017 243 HD2 LYS 28 HD2 LYS 28 -9.095 11.225 0.074 244 HD3 LYS 28 HD1 LYS 28 -8.469 12.869 -0.043 245 HE2 LYS 28 HE2 LYS 28 -9.720 13.264 -2.044 246 HE3 LYS 28 HE1 LYS 28 -10.222 11.572 -2.112 247 HZ1 LYS 28 HZ1 LYS 28 -11.436 11.872 -0.091 248 HZ2 LYS 28 HZ2 LYS 28 -11.966 12.987 -1.231 249 HZ3 LYS 28 HZ3 LYS 28 -10.956 13.488 0.035 250 H LYS 29 HN LYS 29 -4.992 8.645 0.294 251 HA LYS 29 HA LYS 29 -2.962 9.786 1.832 252 HB2 LYS 29 HB2 LYS 29 -4.290 7.177 1.764 253 HB3 LYS 29 HB1 LYS 29 -2.655 7.177 2.402 254 HG2 LYS 29 HG2 LYS 29 -4.296 7.433 4.180 255 HG3 LYS 29 HG1 LYS 29 -3.279 8.862 4.040 256 HD2 LYS 29 HD2 LYS 29 -5.078 9.945 2.743 257 HD3 LYS 29 HD1 LYS 29 -6.086 8.520 3.022 258 HE2 LYS 29 HE2 LYS 29 -6.632 10.200 4.643 259 HE3 LYS 29 HE1 LYS 29 -5.811 8.822 5.407 260 HZ1 LYS 29 HZ1 LYS 29 -3.833 10.032 5.628 261 HZ2 LYS 29 HZ2 LYS 29 -5.027 11.132 6.120 262 HZ3 LYS 29 HZ3 LYS 29 -4.329 11.247 4.591 263 H LEU 30 HN LEU 30 -2.889 7.613 -0.839 264 HA LEU 30 HA LEU 30 -0.136 7.057 -0.725 265 HB2 LEU 30 HB2 LEU 30 -1.956 7.151 -3.123 266 HB3 LEU 30 HB1 LEU 30 -0.375 6.391 -3.062 267 HG LEU 30 HG LEU 30 -2.786 5.537 -1.472 268 HD11 LEU 30 HD11 LEU 30 -2.776 3.572 -2.915 269 HD12 LEU 30 HD12 LEU 30 -1.476 4.299 -3.868 270 HD13 LEU 30 HD13 LEU 30 -3.061 5.062 -3.815 271 HD21 LEU 30 HD21 LEU 30 -1.415 3.571 -0.914 272 HD22 LEU 30 HD22 LEU 30 -0.756 5.067 -0.262 273 HD23 LEU 30 HD23 LEU 30 -0.025 4.333 -1.690 274 H VAL 31 HN VAL 31 -2.039 9.552 -2.276 275 HA VAL 31 HA VAL 31 0.062 10.750 -3.714 276 HB VAL 31 HB VAL 31 -2.552 11.979 -2.764 277 HG11 VAL 31 HG11 VAL 31 -0.651 12.949 -4.889 278 HG12 VAL 31 HG12 VAL 31 -0.949 13.704 -3.318 279 HG13 VAL 31 HG13 VAL 31 -2.243 13.625 -4.520 280 HG21 VAL 31 HG21 VAL 31 -3.325 11.535 -5.039 281 HG22 VAL 31 HG22 VAL 31 -2.894 10.069 -4.156 282 HG23 VAL 31 HG23 VAL 31 -1.796 10.712 -5.387 283 H GLU 32 HN GLU 32 -1.340 11.519 -0.508 284 HA GLU 32 HA GLU 32 0.438 13.661 -0.070 285 HB2 GLU 32 HB2 GLU 32 -0.253 13.594 2.327 286 HB3 GLU 32 HB1 GLU 32 -1.616 13.599 1.218 287 HG2 GLU 32 HG2 GLU 32 -2.032 11.349 1.562 288 HG3 GLU 32 HG1 GLU 32 -0.535 11.088 2.454 289 H VAL 33 HN VAL 33 0.559 10.252 0.793 290 HA VAL 33 HA VAL 33 2.722 10.456 2.530 291 HB VAL 33 HB VAL 33 1.025 8.502 2.212 292 HG11 VAL 33 HG11 VAL 33 1.877 6.528 1.075 293 HG12 VAL 33 HG12 VAL 33 3.238 7.472 0.473 294 HG13 VAL 33 HG13 VAL 33 1.605 7.870 -0.045 295 HG21 VAL 33 HG21 VAL 33 2.629 6.947 3.360 296 HG22 VAL 33 HG22 VAL 33 2.500 8.564 4.043 297 HG23 VAL 33 HG23 VAL 33 3.887 8.152 3.049 298 H LEU 34 HN LEU 34 2.653 10.244 -0.911 299 HA LEU 34 HA LEU 34 5.128 9.159 -1.447 300 HB2 LEU 34 HB2 LEU 34 3.600 11.239 -2.978 301 HB3 LEU 34 HB1 LEU 34 5.067 10.509 -3.582 302 HG LEU 34 HG LEU 34 2.510 9.042 -2.949 303 HD11 LEU 34 HD11 LEU 34 3.762 9.743 -5.591 304 HD12 LEU 34 HD12 LEU 34 2.297 10.452 -4.908 305 HD13 LEU 34 HD13 LEU 34 2.325 8.750 -5.356 306 HD21 LEU 34 HD21 LEU 34 4.422 7.600 -2.582 307 HD22 LEU 34 HD22 LEU 34 5.111 8.082 -4.129 308 HD23 LEU 34 HD23 LEU 34 3.624 7.144 -4.088 309 H GLU 35 HN GLU 35 4.549 12.365 -0.167 310 HA GLU 35 HA GLU 35 7.125 13.372 -0.948 311 HB2 GLU 35 HB2 GLU 35 6.732 15.196 0.656 312 HB3 GLU 35 HB1 GLU 35 5.347 14.955 -0.393 313 HG2 GLU 35 HG2 GLU 35 4.201 13.760 1.410 314 HG3 GLU 35 HG1 GLU 35 5.607 13.999 2.449 315 H SER 36 HN SER 36 5.970 11.421 1.653 316 HA SER 36 HA SER 36 8.642 10.870 2.521 317 HB2 SER 36 HB2 SER 36 6.601 11.970 4.485 318 HB3 SER 36 HB1 SER 36 8.191 11.333 4.902 319 HG SER 36 HG SER 36 8.695 13.058 3.113 320 HA PRO 37 HA PRO 37 5.547 7.409 2.465 321 HB2 PRO 37 HB2 PRO 37 6.961 5.672 0.962 322 HB3 PRO 37 HB1 PRO 37 5.980 6.955 0.248 323 HG2 PRO 37 HG2 PRO 37 8.929 6.886 0.742 324 HG3 PRO 37 HG1 PRO 37 8.050 7.435 -0.696 325 HD2 PRO 37 HD2 PRO 37 9.016 9.167 1.158 326 HD3 PRO 37 HD1 PRO 37 7.515 9.472 0.250 327 H ARG 38 HN ARG 38 8.719 7.781 3.477 328 HA ARG 38 HA ARG 38 8.898 5.154 4.629 329 HB2 ARG 38 HB2 ARG 38 11.214 5.859 5.301 330 HB3 ARG 38 HB1 ARG 38 10.897 5.838 3.583 331 HG2 ARG 38 HG2 ARG 38 12.218 7.751 3.927 332 HG3 ARG 38 HG1 ARG 38 10.584 8.370 3.788 333 HD2 ARG 38 HD2 ARG 38 11.895 9.428 5.611 334 HD3 ARG 38 HD1 ARG 38 10.416 8.642 6.167 335 HE ARG 38 HE ARG 38 12.712 6.939 6.275 336 HH11 ARG 38 HH11 ARG 38 11.080 9.507 8.079 337 HH12 ARG 38 HH12 ARG 38 11.470 8.888 9.623 338 HH21 ARG 38 HH21 ARG 38 13.239 6.060 8.410 339 HH22 ARG 38 HH22 ARG 38 12.676 6.857 9.811 340 H ILE 39 HN ILE 39 6.828 6.465 5.705 341 HA ILE 39 HA ILE 39 7.667 7.674 8.192 342 HB ILE 39 HB ILE 39 4.884 6.983 7.158 343 HG12 ILE 39 HG12 ILE 39 6.256 9.649 7.529 344 HG13 ILE 39 HG11 ILE 39 6.128 8.797 6.000 345 HG21 ILE 39 HG21 ILE 39 4.001 8.293 9.038 346 HG22 ILE 39 HG22 ILE 39 5.638 8.522 9.650 347 HG23 ILE 39 HG23 ILE 39 4.929 6.907 9.625 348 HD11 ILE 39 HD11 ILE 39 3.842 9.899 7.628 349 HD12 ILE 39 HD12 ILE 39 3.694 9.008 6.107 350 HD13 ILE 39 HD13 ILE 39 4.523 10.563 6.136 351 H GLU 40 HN GLU 40 8.637 6.364 9.394 352 HA GLU 40 HA GLU 40 8.438 3.634 9.555 353 HB2 GLU 40 HB2 GLU 40 9.803 3.903 11.681 354 HB3 GLU 40 HB1 GLU 40 10.464 4.581 10.201 355 HG2 GLU 40 HG2 GLU 40 9.606 6.803 10.909 356 HG3 GLU 40 HG1 GLU 40 9.113 6.079 12.438 357 H ALA 41 HN ALA 41 6.419 5.871 11.088 358 HA ALA 41 HA ALA 41 5.489 4.221 13.225 359 HB1 ALA 41 HB1 ALA 41 3.562 5.737 13.316 360 HB2 ALA 41 HB2 ALA 41 4.020 6.424 11.759 361 HB3 ALA 41 HB3 ALA 41 5.065 6.647 13.162 362 H ASN 42 HN ASN 42 4.918 4.309 9.839 363 HA ASN 42 HA ASN 42 2.558 2.562 9.978 364 HB2 ASN 42 HB2 ASN 42 3.854 4.012 7.665 365 HB3 ASN 42 HB1 ASN 42 2.458 2.955 7.529 366 HD21 ASN 42 HD21 ASN 42 2.735 5.714 6.830 367 HD22 ASN 42 HD22 ASN 42 1.533 6.572 7.714 368 H LYS 43 HN LYS 43 5.902 2.151 9.985 369 HA LYS 43 HA LYS 43 6.136 0.368 7.880 370 HB2 LYS 43 HB2 LYS 43 7.943 1.767 8.755 371 HB3 LYS 43 HB1 LYS 43 7.874 0.892 10.282 372 HG2 LYS 43 HG2 LYS 43 8.500 -1.077 9.262 373 HG3 LYS 43 HG1 LYS 43 8.357 -0.336 7.650 374 HD2 LYS 43 HD2 LYS 43 10.221 1.183 8.191 375 HD3 LYS 43 HD1 LYS 43 10.371 0.452 9.785 376 HE2 LYS 43 HE2 LYS 43 10.977 -1.689 8.776 377 HE3 LYS 43 HE1 LYS 43 10.757 -1.009 7.164 378 HZ1 LYS 43 HZ1 LYS 43 12.588 0.481 7.565 379 HZ2 LYS 43 HZ2 LYS 43 13.091 -1.103 7.836 380 HZ3 LYS 43 HZ3 LYS 43 12.760 -0.081 9.142 381 H LEU 44 HN LEU 44 6.229 -1.767 7.943 382 HA LEU 44 HA LEU 44 4.635 -3.051 9.962 383 HB2 LEU 44 HB2 LEU 44 5.977 -4.185 7.522 384 HB3 LEU 44 HB1 LEU 44 4.893 -5.077 8.568 385 HG LEU 44 HG LEU 44 4.204 -2.743 6.793 386 HD11 LEU 44 HD11 LEU 44 3.352 -5.624 6.794 387 HD12 LEU 44 HD12 LEU 44 4.416 -4.845 5.612 388 HD13 LEU 44 HD13 LEU 44 2.721 -4.366 5.741 389 HD21 LEU 44 HD21 LEU 44 2.525 -4.220 8.788 390 HD22 LEU 44 HD22 LEU 44 1.897 -3.134 7.554 391 HD23 LEU 44 HD23 LEU 44 2.950 -2.507 8.822 392 H ARG 45 HN ARG 45 5.406 -5.390 10.480 393 HA ARG 45 HA ARG 45 7.977 -5.102 11.862 394 HB2 ARG 45 HB2 ARG 45 5.959 -5.193 13.278 395 HB3 ARG 45 HB1 ARG 45 5.504 -6.708 12.530 396 HG2 ARG 45 HG2 ARG 45 7.436 -7.796 13.521 397 HG3 ARG 45 HG1 ARG 45 7.963 -6.264 14.210 398 HD2 ARG 45 HD2 ARG 45 5.328 -7.610 14.809 399 HD3 ARG 45 HD1 ARG 45 6.749 -7.666 15.853 400 HE ARG 45 HE ARG 45 6.560 -5.218 16.017 401 HH11 ARG 45 HH11 ARG 45 3.597 -7.075 15.278 402 HH12 ARG 45 HH12 ARG 45 2.542 -5.872 15.821 403 HH21 ARG 45 HH21 ARG 45 5.118 -3.602 16.779 404 HH22 ARG 45 HH22 ARG 45 3.432 -3.800 16.689 405 H GLY 46 HN GLY 46 9.530 -6.366 11.040 406 HA2 GLY 46 HA2 GLY 46 10.563 -8.306 10.303 407 HA3 GLY 46 HA1 GLY 46 9.005 -9.110 10.346 408 H MET 47 HN MET 47 9.530 -6.127 8.620 409 HA MET 47 HA MET 47 9.349 -7.596 6.095 410 HB2 MET 47 HB2 MET 47 7.732 -5.155 6.863 411 HB3 MET 47 HB1 MET 47 7.759 -5.874 5.260 412 HG2 MET 47 HG2 MET 47 6.812 -7.268 7.758 413 HG3 MET 47 HG1 MET 47 5.757 -6.471 6.597 414 HE1 MET 47 HE1 MET 47 6.850 -7.206 3.781 415 HE2 MET 47 HE2 MET 47 5.165 -7.396 4.259 416 HE3 MET 47 HE3 MET 47 6.002 -8.720 3.457 417 HA PRO 48 HA PRO 48 13.054 -5.392 5.091 418 HB2 PRO 48 HB2 PRO 48 12.438 -4.974 2.372 419 HB3 PRO 48 HB1 PRO 48 13.325 -6.337 3.053 420 HG2 PRO 48 HG2 PRO 48 10.438 -6.127 2.327 421 HG3 PRO 48 HG1 PRO 48 11.525 -7.520 2.207 422 HD2 PRO 48 HD2 PRO 48 9.696 -7.388 4.119 423 HD3 PRO 48 HD1 PRO 48 11.317 -8.020 4.482 424 H ASP 49 HN ASP 49 10.404 -4.019 3.221 425 HA ASP 49 HA ASP 49 10.693 -1.424 4.479 426 HB2 ASP 49 HB2 ASP 49 12.346 -1.647 2.381 427 HB3 ASP 49 HB1 ASP 49 10.850 -1.501 1.505 428 H CYS 50 HN CYS 50 8.607 -2.019 5.115 429 HA CYS 50 HA CYS 50 6.656 -1.693 2.984 430 HB2 CYS 50 HB2 CYS 50 6.566 -3.917 5.025 431 HB3 CYS 50 HB1 CYS 50 5.314 -3.559 3.836 432 HG CYS 50 HG CYS 50 7.721 -3.792 1.965 433 H TYR 51 HN TYR 51 4.828 -0.694 3.617 434 HA TYR 51 HA TYR 51 4.579 0.115 6.417 435 HB2 TYR 51 HB2 TYR 51 4.422 2.019 4.061 436 HB3 TYR 51 HB1 TYR 51 4.191 2.431 5.751 437 HD1 TYR 51 HD2 TYR 51 6.677 1.461 3.211 438 HD2 TYR 51 HD1 TYR 51 6.075 2.903 7.153 439 HE1 TYR 51 HE2 TYR 51 9.055 2.026 3.361 440 HE2 TYR 51 HE1 TYR 51 8.463 3.468 7.307 441 HH TYR 51 HH TYR 51 10.518 3.413 4.554 442 H LYS 52 HN LYS 52 2.435 0.723 6.907 443 HA LYS 52 HA LYS 52 0.479 0.098 4.818 444 HB2 LYS 52 HB2 LYS 52 -0.991 -0.836 6.577 445 HB3 LYS 52 HB1 LYS 52 0.493 -1.755 6.370 446 HG2 LYS 52 HG2 LYS 52 1.435 -0.739 8.362 447 HG3 LYS 52 HG1 LYS 52 0.002 0.271 8.546 448 HD2 LYS 52 HD2 LYS 52 -1.372 -1.683 8.943 449 HD3 LYS 52 HD1 LYS 52 0.004 -2.733 8.588 450 HE2 LYS 52 HE2 LYS 52 1.194 -1.920 10.514 451 HE3 LYS 52 HE1 LYS 52 -0.078 -0.750 10.840 452 HZ1 LYS 52 HZ1 LYS 52 -0.193 -2.749 12.254 453 HZ2 LYS 52 HZ2 LYS 52 -0.491 -3.699 10.890 454 HZ3 LYS 52 HZ3 LYS 52 -1.577 -2.513 11.352 455 H ILE 53 HN ILE 53 -1.153 1.463 4.645 456 HA ILE 53 HA ILE 53 -1.291 3.678 6.577 457 HB ILE 53 HB ILE 53 -2.255 3.630 3.692 458 HG12 ILE 53 HG12 ILE 53 0.055 5.111 4.977 459 HG13 ILE 53 HG11 ILE 53 0.185 3.770 3.850 460 HG21 ILE 53 HG21 ILE 53 -3.708 5.009 5.125 461 HG22 ILE 53 HG22 ILE 53 -2.786 6.008 4.017 462 HG23 ILE 53 HG23 ILE 53 -2.305 5.903 5.698 463 HD11 ILE 53 HD11 ILE 53 -0.927 6.500 3.254 464 HD12 ILE 53 HD12 ILE 53 -0.850 5.162 2.106 465 HD13 ILE 53 HD13 ILE 53 0.637 5.870 2.744 466 H LYS 54 HN LYS 54 -3.141 3.885 7.649 467 HA LYS 54 HA LYS 54 -5.198 1.908 7.027 468 HB2 LYS 54 HB2 LYS 54 -5.934 2.038 9.318 469 HB3 LYS 54 HB1 LYS 54 -4.201 1.790 9.329 470 HG2 LYS 54 HG2 LYS 54 -4.927 4.611 9.470 471 HG3 LYS 54 HG1 LYS 54 -5.626 3.675 10.779 472 HD2 LYS 54 HD2 LYS 54 -3.541 4.527 11.556 473 HD3 LYS 54 HD1 LYS 54 -3.313 2.809 11.275 474 HE2 LYS 54 HE2 LYS 54 -2.145 3.259 9.203 475 HE3 LYS 54 HE1 LYS 54 -2.514 4.977 9.339 476 HZ1 LYS 54 HZ1 LYS 54 -0.227 4.483 10.047 477 HZ2 LYS 54 HZ2 LYS 54 -0.812 3.442 11.238 478 HZ3 LYS 54 HZ3 LYS 54 -1.160 5.079 11.316 479 H LEU 55 HN LEU 55 -7.309 2.626 6.831 480 HA LEU 55 HA LEU 55 -7.614 5.437 6.170 481 HB2 LEU 55 HB2 LEU 55 -8.474 3.246 4.895 482 HB3 LEU 55 HB1 LEU 55 -9.791 3.364 6.035 483 HG LEU 55 HG LEU 55 -9.055 5.543 4.070 484 HD11 LEU 55 HD11 LEU 55 -9.716 3.591 2.861 485 HD12 LEU 55 HD12 LEU 55 -11.013 4.784 2.798 486 HD13 LEU 55 HD13 LEU 55 -11.140 3.389 3.870 487 HD21 LEU 55 HD21 LEU 55 -11.563 5.123 5.694 488 HD22 LEU 55 HD22 LEU 55 -11.265 6.428 4.544 489 HD23 LEU 55 HD23 LEU 55 -10.311 6.316 6.026 490 H ARG 56 HN ARG 56 -9.107 6.748 7.384 491 HA ARG 56 HA ARG 56 -9.241 5.799 10.131 492 HB2 ARG 56 HB2 ARG 56 -8.109 7.927 9.546 493 HB3 ARG 56 HB1 ARG 56 -9.656 8.567 9.040 494 HG2 ARG 56 HG2 ARG 56 -10.490 8.396 11.322 495 HG3 ARG 56 HG1 ARG 56 -8.946 7.704 11.828 496 HD2 ARG 56 HD2 ARG 56 -7.793 9.725 11.048 497 HD3 ARG 56 HD1 ARG 56 -9.346 10.419 10.597 498 HE ARG 56 HE ARG 56 -9.553 9.777 13.245 499 HH11 ARG 56 HH11 ARG 56 -7.473 11.863 11.276 500 HH12 ARG 56 HH12 ARG 56 -7.171 12.977 12.522 501 HH21 ARG 56 HH21 ARG 56 -9.185 11.353 14.932 502 HH22 ARG 56 HH22 ARG 56 -8.206 12.711 14.630 503 H SER 57 HN SER 57 -11.404 7.188 7.683 504 HA SER 57 HA SER 57 -13.662 6.919 9.468 505 HB2 SER 57 HB2 SER 57 -13.515 7.880 6.618 506 HB3 SER 57 HB1 SER 57 -14.918 8.017 7.682 507 HG SER 57 HG SER 57 -13.582 9.909 7.571 508 H SER 58 HN SER 58 -12.098 4.679 7.758 509 HA SER 58 HA SER 58 -14.378 2.957 7.637 510 HB2 SER 58 HB2 SER 58 -12.653 3.381 5.162 511 HB3 SER 58 HB1 SER 58 -13.998 2.253 5.314 512 HG SER 58 HG SER 58 -14.953 4.530 6.013 513 H GLY 59 HN GLY 59 -13.686 0.834 8.049 514 HA2 GLY 59 HA2 GLY 59 -11.057 0.666 9.190 515 HA3 GLY 59 HA1 GLY 59 -12.280 -0.587 9.201 516 H TYR 60 HN TYR 60 -9.987 1.024 7.100 517 HA TYR 60 HA TYR 60 -9.352 -1.560 5.869 518 HB2 TYR 60 HB2 TYR 60 -9.875 1.039 4.429 519 HB3 TYR 60 HB1 TYR 60 -9.009 -0.299 3.697 520 HD1 TYR 60 HD2 TYR 60 -12.287 0.849 4.934 521 HD2 TYR 60 HD1 TYR 60 -10.169 -2.217 2.898 522 HE1 TYR 60 HE2 TYR 60 -14.420 -0.096 4.149 523 HE2 TYR 60 HE1 TYR 60 -12.289 -3.167 2.104 524 HH TYR 60 HH TYR 60 -15.151 -1.504 2.177 525 H ARG 61 HN ARG 61 -7.198 -1.664 5.036 526 HA ARG 61 HA ARG 61 -5.516 0.619 5.423 527 HB2 ARG 61 HB2 ARG 61 -3.750 -0.560 6.658 528 HB3 ARG 61 HB1 ARG 61 -5.235 -0.585 7.588 529 HG2 ARG 61 HG2 ARG 61 -4.273 -2.875 5.897 530 HG3 ARG 61 HG1 ARG 61 -3.924 -2.700 7.616 531 HD2 ARG 61 HD2 ARG 61 -6.710 -2.659 6.536 532 HD3 ARG 61 HD1 ARG 61 -5.889 -4.156 6.927 533 HE ARG 61 HE ARG 61 -5.622 -2.869 9.219 534 HH11 ARG 61 HH11 ARG 61 -8.526 -2.935 7.170 535 HH12 ARG 61 HH12 ARG 61 -9.599 -2.993 8.491 536 HH21 ARG 61 HH21 ARG 61 -7.101 -2.987 10.974 537 HH22 ARG 61 HH22 ARG 61 -8.797 -3.050 10.672 538 H LEU 62 HN LEU 62 -3.635 0.519 4.226 539 HA LEU 62 HA LEU 62 -3.715 -1.434 2.030 540 HB2 LEU 62 HB2 LEU 62 -4.538 0.796 1.392 541 HB3 LEU 62 HB1 LEU 62 -3.085 1.526 2.011 542 HG LEU 62 HG LEU 62 -2.973 -0.382 -0.322 543 HD11 LEU 62 HD11 LEU 62 -3.133 1.580 -1.781 544 HD12 LEU 62 HD12 LEU 62 -3.459 2.599 -0.375 545 HD13 LEU 62 HD13 LEU 62 -4.613 1.354 -0.849 546 HD21 LEU 62 HD21 LEU 62 -0.990 0.977 -0.862 547 HD22 LEU 62 HD22 LEU 62 -0.864 0.208 0.722 548 HD23 LEU 62 HD23 LEU 62 -1.264 1.921 0.606 549 H VAL 63 HN VAL 63 -1.761 -2.435 1.559 550 HA VAL 63 HA VAL 63 0.519 -1.648 3.226 551 HB VAL 63 HB VAL 63 -0.226 -4.405 2.193 552 HG11 VAL 63 HG11 VAL 63 2.103 -3.549 3.907 553 HG12 VAL 63 HG12 VAL 63 2.183 -4.159 2.255 554 HG13 VAL 63 HG13 VAL 63 1.654 -5.219 3.562 555 HG21 VAL 63 HG21 VAL 63 -0.225 -3.300 4.999 556 HG22 VAL 63 HG22 VAL 63 -0.551 -4.976 4.563 557 HG23 VAL 63 HG23 VAL 63 -1.651 -3.696 4.040 558 H TYR 64 HN TYR 64 2.297 -1.054 2.197 559 HA TYR 64 HA TYR 64 2.714 -1.941 -0.544 560 HB2 TYR 64 HB2 TYR 64 3.411 0.336 -1.236 561 HB3 TYR 64 HB1 TYR 64 1.711 0.230 -0.817 562 HD1 TYR 64 HD1 TYR 64 4.969 1.110 0.850 563 HD2 TYR 64 HD2 TYR 64 0.841 1.976 0.391 564 HE1 TYR 64 HE1 TYR 64 5.228 3.069 2.296 565 HE2 TYR 64 HE2 TYR 64 1.081 3.922 1.830 566 HH TYR 64 HH TYR 64 4.190 5.091 2.828 567 H GLN 65 HN GLN 65 4.906 -1.731 -1.268 568 HA GLN 65 HA GLN 65 6.782 -1.450 0.954 569 HB2 GLN 65 HB2 GLN 65 8.355 -2.904 -0.209 570 HB3 GLN 65 HB1 GLN 65 6.846 -3.744 0.078 571 HG2 GLN 65 HG2 GLN 65 6.221 -3.470 -2.247 572 HG3 GLN 65 HG1 GLN 65 7.672 -2.520 -2.546 573 HE21 GLN 65 HE21 GLN 65 9.417 -4.214 -0.879 574 HE22 GLN 65 HE22 GLN 65 9.601 -5.680 -1.780 575 H VAL 66 HN VAL 66 8.550 -0.122 0.671 576 HA VAL 66 HA VAL 66 8.227 1.651 -1.610 577 HB VAL 66 HB VAL 66 9.632 2.081 1.038 578 HG11 VAL 66 HG11 VAL 66 10.837 3.238 -0.692 579 HG12 VAL 66 HG12 VAL 66 9.986 4.387 0.341 580 HG13 VAL 66 HG13 VAL 66 9.352 4.006 -1.268 581 HG21 VAL 66 HG21 VAL 66 7.904 3.756 1.433 582 HG22 VAL 66 HG22 VAL 66 7.210 2.153 1.186 583 HG23 VAL 66 HG23 VAL 66 7.148 3.346 -0.107 584 H ILE 67 HN ILE 67 9.495 1.234 -3.251 585 HA ILE 67 HA ILE 67 12.073 0.004 -2.709 586 HB ILE 67 HB ILE 67 10.822 0.617 -5.412 587 HG12 ILE 67 HG12 ILE 67 10.744 -2.019 -3.907 588 HG13 ILE 67 HG11 ILE 67 9.379 -0.923 -4.070 589 HG21 ILE 67 HG21 ILE 67 13.245 0.260 -5.422 590 HG22 ILE 67 HG22 ILE 67 12.420 -1.075 -6.228 591 HG23 ILE 67 HG23 ILE 67 13.034 -1.278 -4.589 592 HD11 ILE 67 HD11 ILE 67 10.785 -2.333 -6.326 593 HD12 ILE 67 HD12 ILE 67 9.417 -1.234 -6.489 594 HD13 ILE 67 HD13 ILE 67 9.219 -2.769 -5.639 595 H ASP 68 HN ASP 68 13.174 1.706 -1.908 596 HA ASP 68 HA ASP 68 13.064 4.337 -2.985 597 HB2 ASP 68 HB2 ASP 68 13.782 3.879 -0.652 598 HB3 ASP 68 HB1 ASP 68 15.245 3.121 -1.272 599 H GLU 69 HN GLU 69 14.892 1.556 -3.648 600 HA GLU 69 HA GLU 69 17.077 2.525 -5.070 601 HB2 GLU 69 HB2 GLU 69 15.509 0.015 -5.629 602 HB3 GLU 69 HB1 GLU 69 17.164 0.338 -6.106 603 HG2 GLU 69 HG2 GLU 69 17.814 0.428 -3.754 604 HG3 GLU 69 HG1 GLU 69 16.153 0.053 -3.290 605 H LYS 70 HN LYS 70 13.761 1.941 -6.077 606 HA LYS 70 HA LYS 70 14.428 2.871 -8.783 607 HB2 LYS 70 HB2 LYS 70 12.091 1.237 -7.815 608 HB3 LYS 70 HB1 LYS 70 12.291 1.798 -9.475 609 HG2 LYS 70 HG2 LYS 70 14.339 0.476 -9.650 610 HG3 LYS 70 HG1 LYS 70 14.130 -0.067 -7.985 611 HD2 LYS 70 HD2 LYS 70 12.008 -1.112 -8.600 612 HD3 LYS 70 HD1 LYS 70 12.211 -0.573 -10.264 613 HE2 LYS 70 HE2 LYS 70 14.319 -1.857 -10.377 614 HE3 LYS 70 HE1 LYS 70 14.008 -2.455 -8.749 615 HZ1 LYS 70 HZ1 LYS 70 12.352 -2.940 -11.161 616 HZ2 LYS 70 HZ2 LYS 70 11.931 -3.436 -9.609 617 HZ3 LYS 70 HZ3 LYS 70 13.316 -4.061 -10.344 618 H VAL 71 HN VAL 71 13.264 3.971 -5.959 619 HA VAL 71 HA VAL 71 12.144 5.777 -5.227 620 HB VAL 71 HB VAL 71 12.239 6.812 -8.104 621 HG11 VAL 71 HG11 VAL 71 12.182 8.321 -5.486 622 HG12 VAL 71 HG12 VAL 71 10.849 8.176 -6.631 623 HG13 VAL 71 HG13 VAL 71 12.311 9.049 -7.087 624 HG21 VAL 71 HG21 VAL 71 14.466 6.092 -7.432 625 HG22 VAL 71 HG22 VAL 71 14.356 7.076 -5.970 626 HG23 VAL 71 HG23 VAL 71 14.382 7.848 -7.556 627 H VAL 72 HN VAL 72 10.661 3.512 -5.919 628 HA VAL 72 HA VAL 72 8.129 4.779 -6.558 629 HB VAL 72 HB VAL 72 8.878 3.641 -8.626 630 HG11 VAL 72 HG11 VAL 72 10.252 1.941 -7.667 631 HG12 VAL 72 HG12 VAL 72 9.075 1.269 -8.796 632 HG13 VAL 72 HG13 VAL 72 8.822 1.102 -7.050 633 HG21 VAL 72 HG21 VAL 72 6.476 3.784 -8.217 634 HG22 VAL 72 HG22 VAL 72 6.524 2.260 -7.334 635 HG23 VAL 72 HG23 VAL 72 6.873 2.288 -9.064 636 H VAL 73 HN VAL 73 6.478 4.136 -5.411 637 HA VAL 73 HA VAL 73 6.909 2.256 -3.244 638 HB VAL 73 HB VAL 73 4.720 4.296 -3.743 639 HG11 VAL 73 HG11 VAL 73 3.949 2.461 -2.372 640 HG12 VAL 73 HG12 VAL 73 4.114 3.922 -1.398 641 HG13 VAL 73 HG13 VAL 73 5.330 2.651 -1.298 642 HG21 VAL 73 HG21 VAL 73 7.099 4.436 -1.900 643 HG22 VAL 73 HG22 VAL 73 5.776 5.603 -1.945 644 HG23 VAL 73 HG23 VAL 73 6.827 5.406 -3.347 645 H PHE 74 HN PHE 74 6.004 0.311 -3.447 646 HA PHE 74 HA PHE 74 4.197 -0.093 -5.716 647 HB2 PHE 74 HB2 PHE 74 6.644 -1.147 -5.370 648 HB3 PHE 74 HB1 PHE 74 5.702 -2.344 -4.494 649 HD1 PHE 74 HD1 PHE 74 3.296 -1.639 -6.611 650 HD2 PHE 74 HD2 PHE 74 7.305 -3.047 -6.814 651 HE1 PHE 74 HE1 PHE 74 2.809 -2.721 -8.736 652 HE2 PHE 74 HE2 PHE 74 6.802 -4.142 -8.960 653 HZ PHE 74 HZ PHE 74 4.562 -3.974 -9.915 654 H VAL 75 HN VAL 75 2.163 -0.446 -5.035 655 HA VAL 75 HA VAL 75 1.570 -1.290 -2.328 656 HB VAL 75 HB VAL 75 -0.307 -0.826 -4.663 657 HG11 VAL 75 HG11 VAL 75 -1.341 -2.233 -2.999 658 HG12 VAL 75 HG12 VAL 75 -2.075 -0.632 -2.944 659 HG13 VAL 75 HG13 VAL 75 -0.899 -1.112 -1.720 660 HG21 VAL 75 HG21 VAL 75 0.497 1.026 -2.416 661 HG22 VAL 75 HG22 VAL 75 -0.783 1.344 -3.586 662 HG23 VAL 75 HG23 VAL 75 0.891 1.204 -4.123 663 H ILE 76 HN ILE 76 1.323 -3.328 -1.705 664 HA ILE 76 HA ILE 76 1.447 -5.403 -3.786 665 HB ILE 76 HB ILE 76 1.762 -5.810 -0.809 666 HG12 ILE 76 HG12 ILE 76 3.961 -5.255 -2.829 667 HG13 ILE 76 HG11 ILE 76 3.424 -4.144 -1.581 668 HG21 ILE 76 HG21 ILE 76 2.600 -7.418 -3.224 669 HG22 ILE 76 HG22 ILE 76 1.354 -7.847 -2.048 670 HG23 ILE 76 HG23 ILE 76 3.054 -7.797 -1.569 671 HD11 ILE 76 HD11 ILE 76 4.155 -5.699 0.145 672 HD12 ILE 76 HD12 ILE 76 5.489 -5.281 -0.937 673 HD13 ILE 76 HD13 ILE 76 4.672 -6.837 -1.095 674 H SER 77 HN SER 77 -0.418 -4.457 -0.886 675 HA SER 77 HA SER 77 -2.620 -6.106 -1.770 676 HB2 SER 77 HB2 SER 77 -2.749 -6.996 0.631 677 HB3 SER 77 HB1 SER 77 -1.446 -7.642 -0.377 678 HG SER 77 HG SER 77 -0.702 -7.017 1.712 679 H VAL 78 HN VAL 78 -4.640 -5.411 -0.828 680 HA VAL 78 HA VAL 78 -4.556 -3.125 0.893 681 HB VAL 78 HB VAL 78 -4.209 -1.998 -1.222 682 HG11 VAL 78 HG11 VAL 78 -6.722 -3.310 -2.211 683 HG12 VAL 78 HG12 VAL 78 -5.077 -3.636 -2.754 684 HG13 VAL 78 HG13 VAL 78 -5.810 -2.060 -3.056 685 HG21 VAL 78 HG21 VAL 78 -5.598 -0.853 0.390 686 HG22 VAL 78 HG22 VAL 78 -7.043 -1.611 -0.286 687 HG23 VAL 78 HG23 VAL 78 -6.103 -0.469 -1.255 688 H GLY 79 HN GLY 79 -6.211 -3.157 2.294 689 HA2 GLY 79 HA2 GLY 79 -8.834 -3.461 1.831 690 HA3 GLY 79 HA1 GLY 79 -8.269 -5.122 1.828 691 H LYS 80 HN LYS 80 -8.611 -6.075 3.656 692 HA LYS 80 HA LYS 80 -8.484 -4.472 6.096 693 HB2 LYS 80 HB2 LYS 80 -10.129 -6.967 5.604 694 HB3 LYS 80 HB1 LYS 80 -10.111 -5.989 7.064 695 HG2 LYS 80 HG2 LYS 80 -11.067 -4.113 5.875 696 HG3 LYS 80 HG1 LYS 80 -11.023 -5.018 4.366 697 HD2 LYS 80 HD2 LYS 80 -12.543 -6.696 5.392 698 HD3 LYS 80 HD1 LYS 80 -12.651 -5.656 6.816 699 HE2 LYS 80 HE2 LYS 80 -13.585 -3.864 5.464 700 HE3 LYS 80 HE1 LYS 80 -13.421 -4.850 4.015 701 HZ1 LYS 80 HZ1 LYS 80 -15.677 -4.927 4.806 702 HZ2 LYS 80 HZ2 LYS 80 -15.177 -5.395 6.337 703 HZ3 LYS 80 HZ3 LYS 80 -14.983 -6.447 5.043 704 H ALA 81 HN ALA 81 -7.761 -5.675 8.006 705 HA ALA 81 HA ALA 81 -5.472 -7.304 7.221 706 HB1 ALA 81 HB1 ALA 81 -6.094 -5.866 9.785 707 HB2 ALA 81 HB2 ALA 81 -5.044 -5.286 8.497 708 HB3 ALA 81 HB3 ALA 81 -4.600 -6.729 9.424 709 H GLU 82 HN GLU 82 -8.364 -8.080 7.662 710 HA GLU 82 HA GLU 82 -8.578 -9.716 9.935 711 HB2 GLU 82 HB2 GLU 82 -10.010 -9.988 7.285 712 HB3 GLU 82 HB1 GLU 82 -10.550 -10.605 8.842 713 HG2 GLU 82 HG2 GLU 82 -10.754 -8.306 9.666 714 HG3 GLU 82 HG1 GLU 82 -10.247 -7.716 8.090 715 H ALA 83 HN ALA 83 -7.731 -11.615 10.311 716 HA ALA 83 HA ALA 83 -6.691 -13.585 10.151 717 HB1 ALA 83 HB1 ALA 83 -7.528 -13.534 7.253 718 HB2 ALA 83 HB2 ALA 83 -8.466 -14.221 8.582 719 HB3 ALA 83 HB3 ALA 83 -6.929 -14.955 8.113 720 H SER 84 HN SER 84 -5.514 -10.881 9.148 721 HA SER 84 HA SER 84 -3.532 -10.037 8.570 722 HB2 SER 84 HB2 SER 84 -2.498 -12.826 9.154 723 HB3 SER 84 HB1 SER 84 -1.515 -11.358 9.052 724 HG SER 84 HG SER 84 -3.705 -11.671 10.814 725 H GLU 85 HN GLU 85 -5.227 -11.248 6.443 726 HA GLU 85 HA GLU 85 -3.770 -12.599 4.524 727 HB2 GLU 85 HB2 GLU 85 -6.117 -10.748 4.295 728 HB3 GLU 85 HB1 GLU 85 -5.435 -11.596 2.915 729 HG2 GLU 85 HG2 GLU 85 -6.548 -12.877 5.396 730 HG3 GLU 85 HG1 GLU 85 -7.352 -12.776 3.827 731 H VAL 86 HN VAL 86 -4.143 -9.093 4.901 732 HA VAL 86 HA VAL 86 -2.715 -8.416 2.586 733 HB VAL 86 HB VAL 86 -2.396 -6.146 3.586 734 HG11 VAL 86 HG11 VAL 86 -4.779 -5.562 3.696 735 HG12 VAL 86 HG12 VAL 86 -5.182 -7.277 3.770 736 HG13 VAL 86 HG13 VAL 86 -4.405 -6.614 2.334 737 HG21 VAL 86 HG21 VAL 86 -3.799 -7.357 5.967 738 HG22 VAL 86 HG22 VAL 86 -3.493 -5.633 5.736 739 HG23 VAL 86 HG23 VAL 86 -2.143 -6.752 5.929 740 H TYR 87 HN TYR 87 -1.565 -9.428 5.666 741 HA TYR 87 HA TYR 87 1.127 -8.441 5.237 742 HB2 TYR 87 HB2 TYR 87 0.042 -10.349 7.322 743 HB3 TYR 87 HB1 TYR 87 1.671 -9.695 7.297 744 HD1 TYR 87 HD2 TYR 87 -1.872 -8.883 7.802 745 HD2 TYR 87 HD1 TYR 87 2.123 -7.501 8.119 746 HE1 TYR 87 HE2 TYR 87 -2.640 -6.997 9.160 747 HE2 TYR 87 HE1 TYR 87 1.368 -5.613 9.485 748 HH TYR 87 HH TYR 87 -1.755 -5.502 10.821 749 H SER 88 HN SER 88 -0.632 -11.489 5.268 750 HA SER 88 HA SER 88 1.482 -13.191 4.701 751 HB2 SER 88 HB2 SER 88 -0.766 -13.950 5.454 752 HB3 SER 88 HB1 SER 88 -1.409 -13.513 3.869 753 HG SER 88 HG SER 88 -1.016 -15.569 3.641 754 H GLU 89 HN GLU 89 -0.775 -11.566 2.441 755 HA GLU 89 HA GLU 89 0.282 -12.682 0.090 756 HB2 GLU 89 HB2 GLU 89 -1.923 -11.493 0.354 757 HB3 GLU 89 HB1 GLU 89 -1.039 -9.975 0.384 758 HG2 GLU 89 HG2 GLU 89 -1.995 -10.391 -1.807 759 HG3 GLU 89 HG1 GLU 89 -0.232 -10.399 -1.885 760 H ALA 90 HN ALA 90 1.316 -10.008 2.048 761 HA ALA 90 HA ALA 90 3.075 -8.904 0.084 762 HB1 ALA 90 HB1 ALA 90 2.945 -8.380 3.050 763 HB2 ALA 90 HB2 ALA 90 2.056 -7.492 1.813 764 HB3 ALA 90 HB3 ALA 90 3.818 -7.412 1.861 765 H VAL 91 HN VAL 91 3.470 -10.933 2.967 766 HA VAL 91 HA VAL 91 6.305 -11.016 2.588 767 HB VAL 91 HB VAL 91 5.321 -11.120 4.856 768 HG11 VAL 91 HG11 VAL 91 4.416 -13.881 4.105 769 HG12 VAL 91 HG12 VAL 91 3.400 -12.483 4.455 770 HG13 VAL 91 HG13 VAL 91 4.392 -13.196 5.730 771 HG21 VAL 91 HG21 VAL 91 7.018 -13.497 4.135 772 HG22 VAL 91 HG22 VAL 91 6.779 -12.869 5.766 773 HG23 VAL 91 HG23 VAL 91 7.586 -11.879 4.549 774 H LYS 92 HN LYS 92 3.643 -13.149 1.745 775 HA LYS 92 HA LYS 92 5.174 -15.409 0.964 776 HB2 LYS 92 HB2 LYS 92 2.486 -14.447 -0.061 777 HB3 LYS 92 HB1 LYS 92 3.203 -15.981 -0.509 778 HG2 LYS 92 HG2 LYS 92 2.297 -15.153 2.250 779 HG3 LYS 92 HG1 LYS 92 1.449 -16.238 1.154 780 HD2 LYS 92 HD2 LYS 92 3.473 -17.735 1.250 781 HD3 LYS 92 HD1 LYS 92 4.081 -16.695 2.539 782 HE2 LYS 92 HE2 LYS 92 1.484 -18.235 2.569 783 HE3 LYS 92 HE1 LYS 92 2.936 -18.671 3.450 784 HZ1 LYS 92 HZ1 LYS 92 2.688 -16.576 4.728 785 HZ2 LYS 92 HZ2 LYS 92 1.398 -17.618 4.908 786 HZ3 LYS 92 HZ3 LYS 92 1.226 -16.266 3.936 787 H ARG 93 HN ARG 93 4.700 -12.353 -0.436 788 HA ARG 93 HA ARG 93 5.141 -12.910 -3.158 789 HB2 ARG 93 HB2 ARG 93 4.215 -10.798 -2.456 790 HB3 ARG 93 HB1 ARG 93 5.681 -10.417 -1.563 791 HG2 ARG 93 HG2 ARG 93 6.903 -10.555 -3.763 792 HG3 ARG 93 HG1 ARG 93 5.323 -10.604 -4.538 793 HD2 ARG 93 HD2 ARG 93 4.761 -8.477 -3.456 794 HD3 ARG 93 HD1 ARG 93 6.378 -8.427 -2.751 795 HE ARG 93 HE ARG 93 7.053 -8.620 -5.240 796 HH11 ARG 93 HH11 ARG 93 4.588 -6.621 -3.771 797 HH12 ARG 93 HH12 ARG 93 4.358 -5.612 -5.122 798 HH21 ARG 93 HH21 ARG 93 6.880 -7.142 -7.069 799 HH22 ARG 93 HH22 ARG 93 5.709 -5.882 -6.991 800 H ILE 94 HN ILE 94 7.262 -12.415 -0.487 801 HA ILE 94 HA ILE 94 9.506 -11.568 -1.903 802 HB ILE 94 HB ILE 94 9.367 -12.862 0.819 803 HG12 ILE 94 HG12 ILE 94 9.394 -9.965 -0.015 804 HG13 ILE 94 HG11 ILE 94 7.952 -10.855 0.451 805 HG21 ILE 94 HG21 ILE 94 11.522 -11.751 1.218 806 HG22 ILE 94 HG22 ILE 94 11.512 -11.110 -0.424 807 HG23 ILE 94 HG23 ILE 94 11.666 -12.845 -0.162 808 HD11 ILE 94 HD11 ILE 94 10.347 -10.364 2.132 809 HD12 ILE 94 HD12 ILE 94 8.867 -11.247 2.594 810 HD13 ILE 94 HD13 ILE 94 8.790 -9.504 2.235 811 H LEU 95 HN LEU 95 10.950 -12.481 -2.953 812 HA LEU 95 HA LEU 95 10.887 -15.232 -3.665 813 HB2 LEU 95 HB2 LEU 95 12.772 -12.995 -4.184 814 HB3 LEU 95 HB1 LEU 95 12.844 -14.542 -5.033 815 HG LEU 95 HG LEU 95 10.678 -12.431 -5.203 816 HD11 LEU 95 HD11 LEU 95 12.638 -13.423 -7.262 817 HD12 LEU 95 HD12 LEU 95 12.685 -11.865 -6.438 818 HD13 LEU 95 HD13 LEU 95 11.360 -12.237 -7.536 819 HD21 LEU 95 HD21 LEU 95 9.640 -13.861 -6.912 820 HD22 LEU 95 HD22 LEU 95 9.653 -14.630 -5.328 821 HD23 LEU 95 HD23 LEU 95 10.816 -15.128 -6.557 Start of MODEL 19 1 H MET 1 H MET 1 9.935 14.915 -1.211 2 HA MET 1 HA MET 1 10.990 14.516 -3.938 3 HB2 MET 1 HB2 MET 1 12.568 13.891 -2.084 4 HB3 MET 1 HB1 MET 1 11.298 12.845 -1.446 5 HG2 MET 1 HG2 MET 1 11.374 11.490 -3.468 6 HG3 MET 1 HG1 MET 1 12.632 12.526 -4.129 7 HE1 MET 1 HE1 MET 1 12.926 9.376 -3.967 8 HE2 MET 1 HE2 MET 1 14.576 9.210 -3.369 9 HE3 MET 1 HE3 MET 1 14.199 10.432 -4.585 10 H ALA 2 HN ALA 2 9.807 13.150 -5.090 11 HA ALA 2 HA ALA 2 7.429 12.013 -3.788 12 HB1 ALA 2 HB1 ALA 2 6.809 13.912 -5.210 13 HB2 ALA 2 HB2 ALA 2 6.168 12.394 -5.834 14 HB3 ALA 2 HB3 ALA 2 7.581 13.134 -6.592 15 H TYR 3 HN TYR 3 6.669 10.058 -4.694 16 HA TYR 3 HA TYR 3 8.732 8.553 -6.147 17 HB2 TYR 3 HB2 TYR 3 6.915 7.639 -3.903 18 HB3 TYR 3 HB1 TYR 3 7.886 6.555 -4.883 19 HD1 TYR 3 HD2 TYR 3 8.328 9.608 -2.737 20 HD2 TYR 3 HD1 TYR 3 9.911 5.871 -4.007 21 HE1 TYR 3 HE2 TYR 3 10.176 9.855 -1.141 22 HE2 TYR 3 HE1 TYR 3 11.761 6.114 -2.401 23 HH TYR 3 HH TYR 3 12.894 7.692 -1.158 24 H PHE 4 HN PHE 4 7.854 6.782 -7.396 25 HA PHE 4 HA PHE 4 5.371 7.460 -8.696 26 HB2 PHE 4 HB2 PHE 4 7.309 5.166 -9.091 27 HB3 PHE 4 HB1 PHE 4 5.906 5.439 -10.111 28 HD1 PHE 4 HD2 PHE 4 5.800 7.750 -11.293 29 HD2 PHE 4 HD1 PHE 4 9.349 6.102 -9.621 30 HE1 PHE 4 HE2 PHE 4 7.154 9.238 -12.707 31 HE2 PHE 4 HE1 PHE 4 10.710 7.587 -11.031 32 HZ PHE 4 HZ PHE 4 9.611 9.158 -12.578 33 H LEU 5 HN LEU 5 3.646 5.769 -8.928 34 HA LEU 5 HA LEU 5 3.489 4.103 -6.499 35 HB2 LEU 5 HB2 LEU 5 2.083 6.332 -6.654 36 HB3 LEU 5 HB1 LEU 5 1.087 5.421 -7.759 37 HG LEU 5 HG LEU 5 0.053 5.479 -5.582 38 HD11 LEU 5 HD11 LEU 5 -0.180 3.107 -5.033 39 HD12 LEU 5 HD12 LEU 5 1.157 2.748 -6.123 40 HD13 LEU 5 HD13 LEU 5 -0.337 3.440 -6.758 41 HD21 LEU 5 HD21 LEU 5 1.101 4.500 -3.605 42 HD22 LEU 5 HD22 LEU 5 1.972 5.904 -4.209 43 HD23 LEU 5 HD23 LEU 5 2.591 4.276 -4.518 44 H ASP 6 HN ASP 6 2.988 1.976 -6.963 45 HA ASP 6 HA ASP 6 1.494 1.384 -9.390 46 HB2 ASP 6 HB2 ASP 6 4.038 1.231 -9.850 47 HB3 ASP 6 HB1 ASP 6 4.012 -0.170 -8.778 48 H PHE 7 HN PHE 7 0.611 -0.827 -9.324 49 HA PHE 7 HA PHE 7 0.295 -1.803 -6.559 50 HB2 PHE 7 HB2 PHE 7 -1.791 -1.681 -8.757 51 HB3 PHE 7 HB1 PHE 7 -1.995 -2.536 -7.247 52 HD1 PHE 7 HD2 PHE 7 -1.643 0.803 -8.772 53 HD2 PHE 7 HD1 PHE 7 -2.637 -1.404 -5.280 54 HE1 PHE 7 HE2 PHE 7 -2.583 2.836 -7.760 55 HE2 PHE 7 HE1 PHE 7 -3.588 0.623 -4.265 56 HZ PHE 7 HZ PHE 7 -3.560 2.748 -5.505 57 H ASP 8 HN ASP 8 0.636 -3.935 -6.261 58 HA ASP 8 HA ASP 8 1.442 -5.742 -8.276 59 HB2 ASP 8 HB2 ASP 8 1.997 -6.212 -5.964 60 HB3 ASP 8 HB1 ASP 8 0.300 -6.178 -5.499 61 H GLU 9 HN GLU 9 0.189 -7.601 -9.126 62 HA GLU 9 HA GLU 9 -2.235 -6.839 -10.224 63 HB2 GLU 9 HB2 GLU 9 -2.586 -9.180 -10.864 64 HB3 GLU 9 HB1 GLU 9 -0.946 -8.648 -11.198 65 HG2 GLU 9 HG2 GLU 9 -0.070 -9.926 -9.429 66 HG3 GLU 9 HG1 GLU 9 -1.662 -10.150 -8.712 67 H ARG 10 HN ARG 10 -1.674 -8.684 -7.210 68 HA ARG 10 HA ARG 10 -4.448 -9.277 -6.951 69 HB2 ARG 10 HB2 ARG 10 -2.205 -9.528 -4.955 70 HB3 ARG 10 HB1 ARG 10 -3.857 -10.050 -4.654 71 HG2 ARG 10 HG2 ARG 10 -3.628 -11.570 -6.651 72 HG3 ARG 10 HG1 ARG 10 -1.916 -11.150 -6.667 73 HD2 ARG 10 HD2 ARG 10 -1.644 -11.983 -4.423 74 HD3 ARG 10 HD1 ARG 10 -3.368 -12.320 -4.308 75 HE ARG 10 HE ARG 10 -2.055 -13.637 -6.481 76 HH11 ARG 10 HH11 ARG 10 -2.855 -13.846 -3.016 77 HH12 ARG 10 HH12 ARG 10 -2.738 -15.533 -2.952 78 HH21 ARG 10 HH21 ARG 10 -1.895 -15.996 -6.360 79 HH22 ARG 10 HH22 ARG 10 -2.162 -16.783 -4.872 80 H ALA 11 HN ALA 11 -2.287 -6.885 -5.709 81 HA ALA 11 HA ALA 11 -4.106 -5.651 -3.947 82 HB1 ALA 11 HB1 ALA 11 -1.691 -5.201 -3.881 83 HB2 ALA 11 HB2 ALA 11 -2.614 -3.710 -4.073 84 HB3 ALA 11 HB3 ALA 11 -1.795 -4.426 -5.461 85 H LEU 12 HN LEU 12 -3.568 -5.446 -7.375 86 HA LEU 12 HA LEU 12 -5.135 -3.099 -7.777 87 HB2 LEU 12 HB2 LEU 12 -3.326 -3.923 -9.351 88 HB3 LEU 12 HB1 LEU 12 -4.445 -5.203 -9.791 89 HG LEU 12 HG LEU 12 -6.023 -3.558 -10.670 90 HD11 LEU 12 HD11 LEU 12 -5.314 -1.240 -11.013 91 HD12 LEU 12 HD12 LEU 12 -3.863 -1.549 -10.057 92 HD13 LEU 12 HD13 LEU 12 -5.455 -1.645 -9.305 93 HD21 LEU 12 HD21 LEU 12 -4.415 -4.618 -12.162 94 HD22 LEU 12 HD22 LEU 12 -3.237 -3.358 -11.809 95 HD23 LEU 12 HD23 LEU 12 -4.726 -2.955 -12.663 96 H LYS 13 HN LYS 13 -5.717 -6.558 -7.798 97 HA LYS 13 HA LYS 13 -8.327 -6.512 -8.914 98 HB2 LYS 13 HB2 LYS 13 -7.079 -8.467 -6.971 99 HB3 LYS 13 HB1 LYS 13 -8.565 -8.744 -7.874 100 HG2 LYS 13 HG2 LYS 13 -7.408 -8.816 -9.926 101 HG3 LYS 13 HG1 LYS 13 -5.930 -8.196 -9.197 102 HD2 LYS 13 HD2 LYS 13 -5.831 -10.202 -7.816 103 HD3 LYS 13 HD1 LYS 13 -7.202 -10.885 -8.709 104 HE2 LYS 13 HE2 LYS 13 -5.879 -10.656 -10.796 105 HE3 LYS 13 HE1 LYS 13 -4.519 -10.054 -9.850 106 HZ1 LYS 13 HZ1 LYS 13 -4.672 -12.320 -8.644 107 HZ2 LYS 13 HZ2 LYS 13 -4.035 -12.253 -10.156 108 HZ3 LYS 13 HZ3 LYS 13 -5.615 -12.801 -9.969 109 H GLU 14 HN GLU 14 -7.088 -6.459 -5.582 110 HA GLU 14 HA GLU 14 -9.598 -6.261 -4.357 111 HB2 GLU 14 HB2 GLU 14 -6.875 -5.389 -3.411 112 HB3 GLU 14 HB1 GLU 14 -8.302 -5.513 -2.393 113 HG2 GLU 14 HG2 GLU 14 -7.032 -7.785 -3.884 114 HG3 GLU 14 HG1 GLU 14 -6.787 -7.440 -2.180 115 H TRP 15 HN TRP 15 -7.297 -3.865 -5.502 116 HA TRP 15 HA TRP 15 -8.474 -1.533 -4.527 117 HB2 TRP 15 HB2 TRP 15 -6.236 -1.567 -5.469 118 HB3 TRP 15 HB1 TRP 15 -6.869 -2.050 -7.032 119 HD1 TRP 15 HD1 TRP 15 -7.613 -0.187 -8.650 120 HE1 TRP 15 HE1 TRP 15 -7.567 2.384 -8.582 121 HE3 TRP 15 HE3 TRP 15 -6.457 0.438 -3.720 122 HZ2 TRP 15 HZ2 TRP 15 -7.058 4.419 -6.666 123 HZ3 TRP 15 HZ3 TRP 15 -6.194 2.722 -2.848 124 HH2 TRP 15 HH2 TRP 15 -6.488 4.666 -4.287 125 H ARG 16 HN ARG 16 -9.122 -3.311 -7.491 126 HA ARG 16 HA ARG 16 -11.042 -1.429 -8.502 127 HB2 ARG 16 HB2 ARG 16 -10.340 -4.251 -9.229 128 HB3 ARG 16 HB1 ARG 16 -11.639 -3.370 -10.027 129 HG2 ARG 16 HG2 ARG 16 -10.116 -1.743 -10.874 130 HG3 ARG 16 HG1 ARG 16 -8.809 -2.395 -9.879 131 HD2 ARG 16 HD2 ARG 16 -10.236 -4.075 -11.869 132 HD3 ARG 16 HD1 ARG 16 -8.869 -3.051 -12.348 133 HE ARG 16 HE ARG 16 -7.867 -4.343 -10.277 134 HH11 ARG 16 HH11 ARG 16 -9.907 -5.786 -12.765 135 HH12 ARG 16 HH12 ARG 16 -8.924 -7.149 -12.997 136 HH21 ARG 16 HH21 ARG 16 -6.474 -6.289 -10.614 137 HH22 ARG 16 HH22 ARG 16 -6.979 -7.424 -11.767 138 H LYS 17 HN LYS 17 -11.120 -4.275 -6.626 139 HA LYS 17 HA LYS 17 -13.941 -4.703 -6.565 140 HB2 LYS 17 HB2 LYS 17 -12.205 -6.390 -6.242 141 HB3 LYS 17 HB1 LYS 17 -11.741 -5.623 -4.737 142 HG2 LYS 17 HG2 LYS 17 -14.027 -6.128 -3.861 143 HG3 LYS 17 HG1 LYS 17 -14.325 -7.047 -5.343 144 HD2 LYS 17 HD2 LYS 17 -12.169 -7.584 -3.296 145 HD3 LYS 17 HD1 LYS 17 -13.602 -8.566 -3.601 146 HE2 LYS 17 HE2 LYS 17 -12.792 -9.019 -5.872 147 HE3 LYS 17 HE1 LYS 17 -11.389 -8.000 -5.527 148 HZ1 LYS 17 HZ1 LYS 17 -10.591 -9.522 -3.936 149 HZ2 LYS 17 HZ2 LYS 17 -10.986 -10.451 -5.286 150 HZ3 LYS 17 HZ3 LYS 17 -12.002 -10.435 -3.956 151 H LEU 18 HN LEU 18 -11.778 -2.628 -4.929 152 HA LEU 18 HA LEU 18 -13.140 -2.491 -2.501 153 HB2 LEU 18 HB2 LEU 18 -10.752 -1.348 -3.591 154 HB3 LEU 18 HB1 LEU 18 -11.714 -0.080 -2.892 155 HG LEU 18 HG LEU 18 -11.727 -1.179 -0.732 156 HD11 LEU 18 HD11 LEU 18 -11.677 -3.513 -1.426 157 HD12 LEU 18 HD12 LEU 18 -10.368 -3.161 -0.301 158 HD13 LEU 18 HD13 LEU 18 -10.032 -3.303 -2.027 159 HD21 LEU 18 HD21 LEU 18 -9.943 0.348 -1.261 160 HD22 LEU 18 HD22 LEU 18 -8.981 -0.973 -1.931 161 HD23 LEU 18 HD23 LEU 18 -9.367 -0.943 -0.209 162 H GLY 19 HN GLY 19 -14.041 -0.428 -1.677 163 HA2 GLY 19 HA2 GLY 19 -16.148 0.411 -3.397 164 HA3 GLY 19 HA1 GLY 19 -15.885 0.941 -1.739 165 H SER 20 HN SER 20 -16.633 2.516 -3.978 166 HA SER 20 HA SER 20 -14.718 3.966 -5.286 167 HB2 SER 20 HB2 SER 20 -16.585 5.713 -5.267 168 HB3 SER 20 HB1 SER 20 -16.969 4.111 -5.918 169 HG SER 20 HG SER 20 -18.508 5.026 -4.390 170 H THR 21 HN THR 21 -16.340 4.841 -2.296 171 HA THR 21 HA THR 21 -14.958 7.196 -1.718 172 HB THR 21 HB THR 21 -16.020 5.381 0.427 173 HG1 THR 21 HG1 THR 21 -17.870 5.351 -0.536 174 HG21 THR 21 HG21 THR 21 -16.195 8.364 -0.073 175 HG22 THR 21 HG22 THR 21 -15.106 7.578 1.069 176 HG23 THR 21 HG23 THR 21 -16.848 7.524 1.330 177 H VAL 22 HN VAL 22 -14.259 3.835 -1.017 178 HA VAL 22 HA VAL 22 -12.247 4.329 0.934 179 HB VAL 22 HB VAL 22 -12.736 1.829 -0.706 180 HG11 VAL 22 HG11 VAL 22 -11.586 0.665 1.106 181 HG12 VAL 22 HG12 VAL 22 -11.296 2.202 1.912 182 HG13 VAL 22 HG13 VAL 22 -10.542 1.872 0.353 183 HG21 VAL 22 HG21 VAL 22 -14.020 1.014 1.223 184 HG22 VAL 22 HG22 VAL 22 -14.751 2.458 0.519 185 HG23 VAL 22 HG23 VAL 22 -13.819 2.580 2.011 186 H ARG 23 HN ARG 23 -12.224 3.348 -2.511 187 HA ARG 23 HA ARG 23 -9.439 3.382 -2.731 188 HB2 ARG 23 HB2 ARG 23 -9.719 3.426 -5.164 189 HB3 ARG 23 HB1 ARG 23 -10.783 2.253 -4.406 190 HG2 ARG 23 HG2 ARG 23 -12.640 3.310 -5.017 191 HG3 ARG 23 HG1 ARG 23 -11.985 4.930 -4.926 192 HD2 ARG 23 HD2 ARG 23 -10.657 4.374 -6.998 193 HD3 ARG 23 HD1 ARG 23 -11.513 2.840 -7.045 194 HE ARG 23 HE ARG 23 -13.288 5.070 -6.977 195 HH11 ARG 23 HH11 ARG 23 -11.300 3.118 -9.161 196 HH12 ARG 23 HH12 ARG 23 -12.168 3.548 -10.559 197 HH21 ARG 23 HH21 ARG 23 -14.497 5.606 -8.862 198 HH22 ARG 23 HH22 ARG 23 -14.059 4.973 -10.382 199 H GLU 24 HN GLU 24 -11.812 5.970 -3.256 200 HA GLU 24 HA GLU 24 -9.985 7.807 -4.288 201 HB2 GLU 24 HB2 GLU 24 -12.597 8.190 -2.872 202 HB3 GLU 24 HB1 GLU 24 -11.647 9.564 -3.437 203 HG2 GLU 24 HG2 GLU 24 -11.730 8.600 -5.722 204 HG3 GLU 24 HG1 GLU 24 -12.792 7.338 -5.107 205 H GLN 25 HN GLN 25 -10.900 7.167 -0.947 206 HA GLN 25 HA GLN 25 -9.206 9.241 -0.006 207 HB2 GLN 25 HB2 GLN 25 -10.873 7.210 1.329 208 HB3 GLN 25 HB1 GLN 25 -9.401 7.677 2.197 209 HG2 GLN 25 HG2 GLN 25 -11.392 8.988 2.857 210 HG3 GLN 25 HG1 GLN 25 -10.057 9.960 2.262 211 HE21 GLN 25 HE21 GLN 25 -12.429 8.217 0.245 212 HE22 GLN 25 HE22 GLN 25 -13.091 9.656 -0.434 213 H LEU 26 HN LEU 26 -8.743 5.747 -0.358 214 HA LEU 26 HA LEU 26 -6.180 5.662 0.763 215 HB2 LEU 26 HB2 LEU 26 -7.372 4.025 -1.453 216 HB3 LEU 26 HB1 LEU 26 -5.798 3.692 -0.757 217 HG LEU 26 HG LEU 26 -8.432 3.603 0.708 218 HD11 LEU 26 HD11 LEU 26 -8.076 1.204 0.753 219 HD12 LEU 26 HD12 LEU 26 -6.615 1.399 -0.208 220 HD13 LEU 26 HD13 LEU 26 -8.188 1.807 -0.899 221 HD21 LEU 26 HD21 LEU 26 -5.641 2.891 1.619 222 HD22 LEU 26 HD22 LEU 26 -7.120 2.570 2.519 223 HD23 LEU 26 HD23 LEU 26 -6.623 4.231 2.218 224 H LYS 27 HN LYS 27 -7.208 6.397 -2.509 225 HA LYS 27 HA LYS 27 -4.718 6.692 -3.729 226 HB2 LYS 27 HB2 LYS 27 -6.837 6.730 -4.942 227 HB3 LYS 27 HB1 LYS 27 -7.256 8.235 -4.141 228 HG2 LYS 27 HG2 LYS 27 -5.239 9.261 -5.228 229 HG3 LYS 27 HG1 LYS 27 -5.086 7.778 -6.172 230 HD2 LYS 27 HD2 LYS 27 -6.273 9.424 -7.462 231 HD3 LYS 27 HD1 LYS 27 -7.385 8.129 -7.010 232 HE2 LYS 27 HE2 LYS 27 -8.262 9.522 -5.176 233 HE3 LYS 27 HE1 LYS 27 -7.119 10.792 -5.609 234 HZ1 LYS 27 HZ1 LYS 27 -8.218 11.028 -7.710 235 HZ2 LYS 27 HZ2 LYS 27 -9.384 11.157 -6.490 236 HZ3 LYS 27 HZ3 LYS 27 -9.256 9.745 -7.383 237 H LYS 28 HN LYS 28 -6.710 9.038 -1.936 238 HA LYS 28 HA LYS 28 -5.020 11.279 -2.251 239 HB2 LYS 28 HB2 LYS 28 -6.915 10.643 0.019 240 HB3 LYS 28 HB1 LYS 28 -6.193 12.212 -0.290 241 HG2 LYS 28 HG2 LYS 28 -7.407 12.399 -2.365 242 HG3 LYS 28 HG1 LYS 28 -8.066 10.774 -2.150 243 HD2 LYS 28 HD2 LYS 28 -9.127 11.529 -0.045 244 HD3 LYS 28 HD1 LYS 28 -8.538 13.159 -0.371 245 HE2 LYS 28 HE2 LYS 28 -9.827 13.210 -2.446 246 HE3 LYS 28 HE1 LYS 28 -10.397 11.572 -2.129 247 HZ1 LYS 28 HZ1 LYS 28 -11.465 12.374 -0.114 248 HZ2 LYS 28 HZ2 LYS 28 -12.040 13.202 -1.447 249 HZ3 LYS 28 HZ3 LYS 28 -10.938 13.949 -0.430 250 H LYS 29 HN LYS 29 -5.191 8.710 0.093 251 HA LYS 29 HA LYS 29 -3.279 9.768 1.859 252 HB2 LYS 29 HB2 LYS 29 -4.045 6.860 1.523 253 HB3 LYS 29 HB1 LYS 29 -3.229 7.556 2.913 254 HG2 LYS 29 HG2 LYS 29 -6.047 8.165 2.017 255 HG3 LYS 29 HG1 LYS 29 -5.586 7.157 3.386 256 HD2 LYS 29 HD2 LYS 29 -4.804 10.064 3.165 257 HD3 LYS 29 HD1 LYS 29 -6.311 9.523 3.898 258 HE2 LYS 29 HE2 LYS 29 -5.245 8.355 5.541 259 HE3 LYS 29 HE1 LYS 29 -3.659 8.443 4.770 260 HZ1 LYS 29 HZ1 LYS 29 -3.631 10.823 5.190 261 HZ2 LYS 29 HZ2 LYS 29 -3.870 10.001 6.644 262 HZ3 LYS 29 HZ3 LYS 29 -5.177 10.754 5.874 263 H LEU 30 HN LEU 30 -3.021 7.692 -0.909 264 HA LEU 30 HA LEU 30 -0.262 7.194 -0.663 265 HB2 LEU 30 HB2 LEU 30 -1.980 7.305 -3.145 266 HB3 LEU 30 HB1 LEU 30 -0.380 6.598 -3.046 267 HG LEU 30 HG LEU 30 -2.830 5.601 -1.600 268 HD11 LEU 30 HD11 LEU 30 -2.983 5.184 -3.961 269 HD12 LEU 30 HD12 LEU 30 -2.659 3.676 -3.103 270 HD13 LEU 30 HD13 LEU 30 -1.362 4.498 -3.970 271 HD21 LEU 30 HD21 LEU 30 -0.028 4.483 -1.720 272 HD22 LEU 30 HD22 LEU 30 -1.426 3.673 -1.010 273 HD23 LEU 30 HD23 LEU 30 -0.832 5.178 -0.309 274 H VAL 31 HN VAL 31 -2.172 9.648 -2.288 275 HA VAL 31 HA VAL 31 -0.121 10.998 -3.625 276 HB VAL 31 HB VAL 31 -2.856 11.937 -2.674 277 HG11 VAL 31 HG11 VAL 31 -0.957 13.411 -4.495 278 HG12 VAL 31 HG12 VAL 31 -1.423 13.889 -2.856 279 HG13 VAL 31 HG13 VAL 31 -2.633 13.856 -4.140 280 HG21 VAL 31 HG21 VAL 31 -1.790 11.177 -5.383 281 HG22 VAL 31 HG22 VAL 31 -3.428 11.743 -5.022 282 HG23 VAL 31 HG23 VAL 31 -2.847 10.221 -4.339 283 H GLU 32 HN GLU 32 -1.503 11.645 -0.408 284 HA GLU 32 HA GLU 32 0.273 13.784 0.132 285 HB2 GLU 32 HB2 GLU 32 -0.454 13.496 2.533 286 HB3 GLU 32 HB1 GLU 32 -1.773 13.668 1.384 287 HG2 GLU 32 HG2 GLU 32 -2.200 11.337 1.425 288 HG3 GLU 32 HG1 GLU 32 -0.800 11.039 2.445 289 H VAL 33 HN VAL 33 0.413 10.328 0.841 290 HA VAL 33 HA VAL 33 2.567 10.500 2.595 291 HB VAL 33 HB VAL 33 0.879 8.545 2.265 292 HG11 VAL 33 HG11 VAL 33 1.445 7.978 -0.014 293 HG12 VAL 33 HG12 VAL 33 1.708 6.607 1.066 294 HG13 VAL 33 HG13 VAL 33 3.081 7.549 0.483 295 HG21 VAL 33 HG21 VAL 33 2.457 6.988 3.379 296 HG22 VAL 33 HG22 VAL 33 2.446 8.615 4.061 297 HG23 VAL 33 HG23 VAL 33 3.756 8.121 2.992 298 H LEU 34 HN LEU 34 2.501 10.385 -0.841 299 HA LEU 34 HA LEU 34 4.948 9.282 -1.476 300 HB2 LEU 34 HB2 LEU 34 3.472 11.512 -2.834 301 HB3 LEU 34 HB1 LEU 34 4.888 10.751 -3.513 302 HG LEU 34 HG LEU 34 2.265 9.376 -2.934 303 HD11 LEU 34 HD11 LEU 34 2.044 9.273 -5.362 304 HD12 LEU 34 HD12 LEU 34 3.527 10.212 -5.536 305 HD13 LEU 34 HD13 LEU 34 2.105 10.937 -4.786 306 HD21 LEU 34 HD21 LEU 34 4.785 8.366 -4.250 307 HD22 LEU 34 HD22 LEU 34 3.249 7.519 -4.228 308 HD23 LEU 34 HD23 LEU 34 4.110 7.810 -2.714 309 H GLU 35 HN GLU 35 4.432 12.481 -0.060 310 HA GLU 35 HA GLU 35 7.083 13.326 -0.864 311 HB2 GLU 35 HB2 GLU 35 6.728 15.307 0.551 312 HB3 GLU 35 HB1 GLU 35 5.411 15.071 -0.578 313 HG2 GLU 35 HG2 GLU 35 4.090 14.060 1.248 314 HG3 GLU 35 HG1 GLU 35 5.408 14.433 2.357 315 H SER 36 HN SER 36 5.749 11.597 1.753 316 HA SER 36 HA SER 36 8.360 11.230 2.903 317 HB2 SER 36 HB2 SER 36 6.068 12.292 4.574 318 HB3 SER 36 HB1 SER 36 7.622 11.732 5.195 319 HG SER 36 HG SER 36 8.499 13.541 4.651 320 HA PRO 37 HA PRO 37 5.593 7.540 3.061 321 HB2 PRO 37 HB2 PRO 37 6.816 5.925 1.327 322 HB3 PRO 37 HB1 PRO 37 5.737 7.202 0.765 323 HG2 PRO 37 HG2 PRO 37 8.726 7.179 0.868 324 HG3 PRO 37 HG1 PRO 37 7.659 7.748 -0.427 325 HD2 PRO 37 HD2 PRO 37 8.837 9.421 1.409 326 HD3 PRO 37 HD1 PRO 37 7.301 9.768 0.577 327 H ARG 38 HN ARG 38 8.813 8.233 3.579 328 HA ARG 38 HA ARG 38 9.496 5.647 4.652 329 HB2 ARG 38 HB2 ARG 38 11.753 6.750 5.154 330 HB3 ARG 38 HB1 ARG 38 11.294 6.551 3.479 331 HG2 ARG 38 HG2 ARG 38 12.305 8.675 3.626 332 HG3 ARG 38 HG1 ARG 38 10.582 8.986 3.517 333 HD2 ARG 38 HD2 ARG 38 10.470 9.421 5.897 334 HD3 ARG 38 HD1 ARG 38 12.164 8.966 6.086 335 HE ARG 38 HE ARG 38 11.590 11.143 4.258 336 HH11 ARG 38 HH11 ARG 38 12.586 10.246 7.566 337 HH12 ARG 38 HH12 ARG 38 13.437 11.689 7.842 338 HH21 ARG 38 HH21 ARG 38 12.775 13.166 4.688 339 HH22 ARG 38 HH22 ARG 38 13.514 13.387 6.205 340 H ILE 39 HN ILE 39 7.420 6.677 5.997 341 HA ILE 39 HA ILE 39 8.265 7.783 8.551 342 HB ILE 39 HB ILE 39 5.544 6.797 7.597 343 HG12 ILE 39 HG12 ILE 39 6.601 9.617 7.896 344 HG13 ILE 39 HG11 ILE 39 6.391 8.763 6.374 345 HG21 ILE 39 HG21 ILE 39 6.215 8.386 10.075 346 HG22 ILE 39 HG22 ILE 39 5.729 6.691 10.040 347 HG23 ILE 39 HG23 ILE 39 4.594 7.946 9.533 348 HD11 ILE 39 HD11 ILE 39 4.606 10.336 6.744 349 HD12 ILE 39 HD12 ILE 39 4.203 9.565 8.283 350 HD13 ILE 39 HD13 ILE 39 3.975 8.690 6.764 351 H GLU 40 HN GLU 40 9.249 6.420 9.932 352 HA GLU 40 HA GLU 40 9.253 3.634 9.578 353 HB2 GLU 40 HB2 GLU 40 10.570 3.511 11.664 354 HB3 GLU 40 HB1 GLU 40 11.196 4.677 10.512 355 HG2 GLU 40 HG2 GLU 40 10.283 6.492 11.786 356 HG3 GLU 40 HG1 GLU 40 9.496 5.365 12.894 357 H ALA 41 HN ALA 41 7.191 5.618 11.458 358 HA ALA 41 HA ALA 41 6.323 3.727 13.355 359 HB1 ALA 41 HB1 ALA 41 5.879 6.135 13.541 360 HB2 ALA 41 HB2 ALA 41 4.401 5.185 13.687 361 HB3 ALA 41 HB3 ALA 41 4.763 6.028 12.181 362 H ASN 42 HN ASN 42 5.621 4.045 9.994 363 HA ASN 42 HA ASN 42 3.267 2.319 10.221 364 HB2 ASN 42 HB2 ASN 42 4.345 3.866 7.857 365 HB3 ASN 42 HB1 ASN 42 2.958 2.789 7.779 366 HD21 ASN 42 HD21 ASN 42 3.133 5.630 7.240 367 HD22 ASN 42 HD22 ASN 42 2.009 6.392 8.310 368 H LYS 43 HN LYS 43 6.474 1.857 10.027 369 HA LYS 43 HA LYS 43 6.587 -0.078 7.914 370 HB2 LYS 43 HB2 LYS 43 8.566 0.538 10.117 371 HB3 LYS 43 HB1 LYS 43 8.818 -0.692 8.882 372 HG2 LYS 43 HG2 LYS 43 8.742 0.953 7.159 373 HG3 LYS 43 HG1 LYS 43 8.344 2.218 8.312 374 HD2 LYS 43 HD2 LYS 43 10.644 2.489 7.792 375 HD3 LYS 43 HD1 LYS 43 10.611 1.736 9.376 376 HE2 LYS 43 HE2 LYS 43 10.952 0.150 6.830 377 HE3 LYS 43 HE1 LYS 43 12.308 0.871 7.677 378 HZ1 LYS 43 HZ1 LYS 43 11.984 -1.455 8.214 379 HZ2 LYS 43 HZ2 LYS 43 10.472 -1.153 8.887 380 HZ3 LYS 43 HZ3 LYS 43 11.853 -0.482 9.571 381 H LEU 44 HN LEU 44 6.462 -2.158 7.975 382 HA LEU 44 HA LEU 44 5.231 -3.391 10.270 383 HB2 LEU 44 HB2 LEU 44 6.106 -4.602 7.663 384 HB3 LEU 44 HB1 LEU 44 5.033 -5.354 8.833 385 HG LEU 44 HG LEU 44 4.460 -2.911 7.166 386 HD11 LEU 44 HD11 LEU 44 3.337 -5.691 7.084 387 HD12 LEU 44 HD12 LEU 44 4.363 -4.922 5.866 388 HD13 LEU 44 HD13 LEU 44 2.734 -4.318 6.163 389 HD21 LEU 44 HD21 LEU 44 2.739 -4.310 9.203 390 HD22 LEU 44 HD22 LEU 44 2.208 -3.035 8.107 391 HD23 LEU 44 HD23 LEU 44 3.416 -2.684 9.338 392 H ARG 45 HN ARG 45 6.165 -5.020 11.532 393 HA ARG 45 HA ARG 45 8.905 -4.634 12.063 394 HB2 ARG 45 HB2 ARG 45 6.922 -6.595 13.172 395 HB3 ARG 45 HB1 ARG 45 8.547 -6.356 13.793 396 HG2 ARG 45 HG2 ARG 45 8.025 -4.045 14.334 397 HG3 ARG 45 HG1 ARG 45 6.408 -4.245 13.659 398 HD2 ARG 45 HD2 ARG 45 5.909 -5.943 15.344 399 HD3 ARG 45 HD1 ARG 45 7.534 -5.760 16.009 400 HE ARG 45 HE ARG 45 6.574 -3.259 16.091 401 HH11 ARG 45 HH11 ARG 45 5.260 -6.331 17.330 402 HH12 ARG 45 HH12 ARG 45 4.412 -5.592 18.593 403 HH21 ARG 45 HH21 ARG 45 5.453 -2.294 17.804 404 HH22 ARG 45 HH22 ARG 45 4.530 -3.220 18.914 405 H GLY 46 HN GLY 46 7.149 -7.357 10.614 406 HA2 GLY 46 HA2 GLY 46 9.680 -8.822 10.369 407 HA3 GLY 46 HA1 GLY 46 8.076 -9.493 10.119 408 H MET 47 HN MET 47 8.755 -6.472 8.713 409 HA MET 47 HA MET 47 9.270 -7.714 6.112 410 HB2 MET 47 HB2 MET 47 7.407 -5.374 6.585 411 HB3 MET 47 HB1 MET 47 7.706 -6.174 5.065 412 HG2 MET 47 HG2 MET 47 6.395 -7.538 7.412 413 HG3 MET 47 HG1 MET 47 5.501 -6.746 6.126 414 HE1 MET 47 HE1 MET 47 5.048 -7.796 3.817 415 HE2 MET 47 HE2 MET 47 6.049 -9.046 3.079 416 HE3 MET 47 HE3 MET 47 6.746 -7.460 3.459 417 HA PRO 48 HA PRO 48 12.531 -4.792 6.304 418 HB2 PRO 48 HB2 PRO 48 13.011 -4.325 3.647 419 HB3 PRO 48 HB1 PRO 48 13.534 -5.771 4.514 420 HG2 PRO 48 HG2 PRO 48 11.195 -5.389 2.698 421 HG3 PRO 48 HG1 PRO 48 12.261 -6.790 2.874 422 HD2 PRO 48 HD2 PRO 48 9.765 -6.663 3.958 423 HD3 PRO 48 HD1 PRO 48 11.088 -7.613 4.664 424 H ASP 49 HN ASP 49 10.814 -3.626 3.454 425 HA ASP 49 HA ASP 49 10.867 -0.863 4.557 426 HB2 ASP 49 HB2 ASP 49 12.231 -1.838 2.390 427 HB3 ASP 49 HB1 ASP 49 10.743 -1.273 1.648 428 H CYS 50 HN CYS 50 8.746 -2.752 4.923 429 HA CYS 50 HA CYS 50 6.752 -1.858 2.975 430 HB2 CYS 50 HB2 CYS 50 6.509 -4.003 5.083 431 HB3 CYS 50 HB1 CYS 50 5.386 -3.684 3.764 432 HG CYS 50 HG CYS 50 7.451 -4.256 1.819 433 H TYR 51 HN TYR 51 4.965 -0.756 3.605 434 HA TYR 51 HA TYR 51 4.771 0.177 6.383 435 HB2 TYR 51 HB2 TYR 51 4.442 1.886 3.894 436 HB3 TYR 51 HB1 TYR 51 4.250 2.402 5.559 437 HD1 TYR 51 HD2 TYR 51 6.798 1.078 3.189 438 HD2 TYR 51 HD1 TYR 51 6.034 3.384 6.662 439 HE1 TYR 51 HE2 TYR 51 9.137 1.807 3.211 440 HE2 TYR 51 HE1 TYR 51 8.376 4.125 6.683 441 HH TYR 51 HH TYR 51 10.394 3.557 4.010 442 H LYS 52 HN LYS 52 2.607 0.836 6.877 443 HA LYS 52 HA LYS 52 0.616 0.037 4.889 444 HB2 LYS 52 HB2 LYS 52 -0.801 -0.858 6.695 445 HB3 LYS 52 HB1 LYS 52 0.714 -1.736 6.529 446 HG2 LYS 52 HG2 LYS 52 1.620 -0.623 8.463 447 HG3 LYS 52 HG1 LYS 52 0.179 0.386 8.593 448 HD2 LYS 52 HD2 LYS 52 -1.179 -1.550 9.047 449 HD3 LYS 52 HD1 LYS 52 0.206 -2.623 8.819 450 HE2 LYS 52 HE2 LYS 52 1.330 -1.563 10.703 451 HE3 LYS 52 HE1 LYS 52 -0.050 -0.485 10.919 452 HZ1 LYS 52 HZ1 LYS 52 -0.076 -2.378 12.445 453 HZ2 LYS 52 HZ2 LYS 52 -0.140 -3.449 11.149 454 HZ3 LYS 52 HZ3 LYS 52 -1.419 -2.401 11.441 455 H ILE 53 HN ILE 53 -1.119 1.271 4.723 456 HA ILE 53 HA ILE 53 -1.290 3.657 6.425 457 HB ILE 53 HB ILE 53 -2.358 3.191 3.605 458 HG12 ILE 53 HG12 ILE 53 -0.251 5.097 4.645 459 HG13 ILE 53 HG11 ILE 53 0.035 3.668 3.660 460 HG21 ILE 53 HG21 ILE 53 -3.168 5.506 3.635 461 HG22 ILE 53 HG22 ILE 53 -2.686 5.657 5.323 462 HG23 ILE 53 HG23 ILE 53 -3.966 4.532 4.873 463 HD11 ILE 53 HD11 ILE 53 0.165 5.732 2.350 464 HD12 ILE 53 HD12 ILE 53 -1.498 6.115 2.796 465 HD13 ILE 53 HD13 ILE 53 -1.158 4.699 1.804 466 H LYS 54 HN LYS 54 -3.296 4.146 7.292 467 HA LYS 54 HA LYS 54 -5.209 1.985 7.215 468 HB2 LYS 54 HB2 LYS 54 -5.754 2.360 9.619 469 HB3 LYS 54 HB1 LYS 54 -4.105 1.821 9.390 470 HG2 LYS 54 HG2 LYS 54 -4.846 4.716 9.811 471 HG3 LYS 54 HG1 LYS 54 -4.489 3.601 11.131 472 HD2 LYS 54 HD2 LYS 54 -2.261 3.332 10.433 473 HD3 LYS 54 HD1 LYS 54 -2.519 4.101 8.882 474 HE2 LYS 54 HE2 LYS 54 -1.409 5.684 10.196 475 HE3 LYS 54 HE1 LYS 54 -3.110 6.155 10.137 476 HZ1 LYS 54 HZ1 LYS 54 -2.164 6.365 12.383 477 HZ2 LYS 54 HZ2 LYS 54 -1.811 4.718 12.377 478 HZ3 LYS 54 HZ3 LYS 54 -3.416 5.227 12.368 479 H LEU 55 HN LEU 55 -7.198 2.597 6.695 480 HA LEU 55 HA LEU 55 -7.612 5.466 6.378 481 HB2 LEU 55 HB2 LEU 55 -7.891 3.643 4.509 482 HB3 LEU 55 HB1 LEU 55 -9.408 3.311 5.304 483 HG LEU 55 HG LEU 55 -8.606 5.899 3.956 484 HD11 LEU 55 HD11 LEU 55 -10.355 5.343 2.371 485 HD12 LEU 55 HD12 LEU 55 -10.668 3.846 3.254 486 HD13 LEU 55 HD13 LEU 55 -9.115 4.087 2.456 487 HD21 LEU 55 HD21 LEU 55 -10.900 6.655 4.346 488 HD22 LEU 55 HD22 LEU 55 -10.060 6.370 5.877 489 HD23 LEU 55 HD23 LEU 55 -11.217 5.184 5.269 490 H ARG 56 HN ARG 56 -8.129 5.977 8.482 491 HA ARG 56 HA ARG 56 -10.134 4.520 9.842 492 HB2 ARG 56 HB2 ARG 56 -8.407 5.592 11.175 493 HB3 ARG 56 HB1 ARG 56 -8.873 7.172 10.554 494 HG2 ARG 56 HG2 ARG 56 -11.014 7.027 11.666 495 HG3 ARG 56 HG1 ARG 56 -10.655 5.389 12.206 496 HD2 ARG 56 HD2 ARG 56 -8.868 6.184 13.584 497 HD3 ARG 56 HD1 ARG 56 -9.046 7.817 12.948 498 HE ARG 56 HE ARG 56 -11.474 7.329 13.931 499 HH11 ARG 56 HH11 ARG 56 -8.351 6.677 15.427 500 HH12 ARG 56 HH12 ARG 56 -8.793 7.217 16.978 501 HH21 ARG 56 HH21 ARG 56 -12.111 8.114 16.103 502 HH22 ARG 56 HH22 ARG 56 -10.985 8.071 17.361 503 H SER 57 HN SER 57 -11.910 4.495 8.871 504 HA SER 57 HA SER 57 -13.904 6.342 8.982 505 HB2 SER 57 HB2 SER 57 -12.670 7.762 7.379 506 HB3 SER 57 HB1 SER 57 -12.483 6.404 6.282 507 HG SER 57 HG SER 57 -14.851 7.782 6.988 508 H SER 58 HN SER 58 -12.342 3.869 6.984 509 HA SER 58 HA SER 58 -14.900 2.478 6.974 510 HB2 SER 58 HB2 SER 58 -14.052 1.549 4.718 511 HB3 SER 58 HB1 SER 58 -14.680 3.193 4.781 512 HG SER 58 HG SER 58 -12.862 3.883 4.197 513 H GLY 59 HN GLY 59 -11.540 2.269 7.746 514 HA2 GLY 59 HA2 GLY 59 -10.733 0.620 9.201 515 HA3 GLY 59 HA1 GLY 59 -12.064 -0.421 8.730 516 H TYR 60 HN TYR 60 -10.588 0.966 6.085 517 HA TYR 60 HA TYR 60 -9.443 -1.584 5.430 518 HB2 TYR 60 HB2 TYR 60 -9.905 0.915 3.816 519 HB3 TYR 60 HB1 TYR 60 -8.977 -0.440 3.188 520 HD1 TYR 60 HD1 TYR 60 -12.313 0.452 4.570 521 HD2 TYR 60 HD2 TYR 60 -10.063 -2.239 2.192 522 HE1 TYR 60 HE1 TYR 60 -14.402 -0.625 3.828 523 HE2 TYR 60 HE2 TYR 60 -12.132 -3.324 1.440 524 HH TYR 60 HH TYR 60 -15.206 -1.986 1.956 525 H ARG 61 HN ARG 61 -7.298 -1.872 4.794 526 HA ARG 61 HA ARG 61 -5.402 0.209 5.546 527 HB2 ARG 61 HB2 ARG 61 -5.338 -2.724 6.233 528 HB3 ARG 61 HB1 ARG 61 -3.855 -1.815 6.078 529 HG2 ARG 61 HG2 ARG 61 -4.391 -1.978 8.392 530 HG3 ARG 61 HG1 ARG 61 -4.661 -0.312 7.902 531 HD2 ARG 61 HD2 ARG 61 -7.056 -0.676 7.880 532 HD3 ARG 61 HD1 ARG 61 -6.829 -2.397 8.194 533 HE ARG 61 HE ARG 61 -5.576 -0.831 10.183 534 HH11 ARG 61 HH11 ARG 61 -8.871 -1.748 9.206 535 HH12 ARG 61 HH12 ARG 61 -9.454 -1.847 10.790 536 HH21 ARG 61 HH21 ARG 61 -6.397 -0.956 12.352 537 HH22 ARG 61 HH22 ARG 61 -8.019 -1.367 12.630 538 H LEU 62 HN LEU 62 -3.501 0.168 4.342 539 HA LEU 62 HA LEU 62 -3.530 -1.496 1.934 540 HB2 LEU 62 HB2 LEU 62 -4.485 0.774 1.469 541 HB3 LEU 62 HB1 LEU 62 -3.006 1.490 2.049 542 HG LEU 62 HG LEU 62 -3.047 -0.317 -0.371 543 HD11 LEU 62 HD11 LEU 62 -3.407 2.679 -0.256 544 HD12 LEU 62 HD12 LEU 62 -4.613 1.504 -0.797 545 HD13 LEU 62 HD13 LEU 62 -3.130 1.741 -1.720 546 HD21 LEU 62 HD21 LEU 62 -1.203 1.879 0.537 547 HD22 LEU 62 HD22 LEU 62 -1.034 0.947 -0.953 548 HD23 LEU 62 HD23 LEU 62 -0.859 0.149 0.617 549 H VAL 63 HN VAL 63 -1.588 -2.486 1.655 550 HA VAL 63 HA VAL 63 0.663 -1.506 3.270 551 HB VAL 63 HB VAL 63 0.110 -4.363 2.403 552 HG11 VAL 63 HG11 VAL 63 1.956 -4.968 3.906 553 HG12 VAL 63 HG12 VAL 63 2.244 -3.264 4.235 554 HG13 VAL 63 HG13 VAL 63 2.499 -3.899 2.612 555 HG21 VAL 63 HG21 VAL 63 -1.482 -3.658 4.105 556 HG22 VAL 63 HG22 VAL 63 -0.160 -3.092 5.127 557 HG23 VAL 63 HG23 VAL 63 -0.330 -4.810 4.783 558 H TYR 64 HN TYR 64 2.423 -0.962 2.227 559 HA TYR 64 HA TYR 64 2.901 -1.932 -0.476 560 HB2 TYR 64 HB2 TYR 64 3.410 0.345 -1.295 561 HB3 TYR 64 HB1 TYR 64 1.736 0.179 -0.812 562 HD1 TYR 64 HD1 TYR 64 5.001 1.331 0.671 563 HD2 TYR 64 HD2 TYR 64 0.810 1.888 0.363 564 HE1 TYR 64 HE1 TYR 64 5.185 3.372 2.017 565 HE2 TYR 64 HE2 TYR 64 0.976 3.917 1.697 566 HH TYR 64 HH TYR 64 2.493 4.891 3.357 567 H GLN 65 HN GLN 65 5.132 -1.608 -1.135 568 HA GLN 65 HA GLN 65 6.807 -0.952 1.168 569 HB2 GLN 65 HB2 GLN 65 8.586 -2.342 0.392 570 HB3 GLN 65 HB1 GLN 65 7.132 -3.317 0.362 571 HG2 GLN 65 HG2 GLN 65 7.031 -3.292 -1.976 572 HG3 GLN 65 HG1 GLN 65 8.150 -1.933 -2.093 573 HE21 GLN 65 HE21 GLN 65 10.342 -2.289 -1.680 574 HE22 GLN 65 HE22 GLN 65 11.040 -3.855 -1.834 575 H VAL 66 HN VAL 66 8.405 0.490 0.904 576 HA VAL 66 HA VAL 66 8.153 2.141 -1.470 577 HB VAL 66 HB VAL 66 9.650 2.563 1.139 578 HG11 VAL 66 HG11 VAL 66 10.026 4.857 0.375 579 HG12 VAL 66 HG12 VAL 66 9.314 4.453 -1.193 580 HG13 VAL 66 HG13 VAL 66 10.814 3.676 -0.671 581 HG21 VAL 66 HG21 VAL 66 7.987 4.275 1.574 582 HG22 VAL 66 HG22 VAL 66 7.232 2.696 1.358 583 HG23 VAL 66 HG23 VAL 66 7.170 3.888 0.058 584 H ILE 67 HN ILE 67 9.447 1.572 -3.126 585 HA ILE 67 HA ILE 67 12.029 0.424 -2.411 586 HB ILE 67 HB ILE 67 10.918 0.684 -5.223 587 HG12 ILE 67 HG12 ILE 67 10.685 -1.717 -3.382 588 HG13 ILE 67 HG11 ILE 67 9.350 -0.655 -3.806 589 HG21 ILE 67 HG21 ILE 67 13.323 0.305 -4.997 590 HG22 ILE 67 HG22 ILE 67 12.544 -1.143 -5.643 591 HG23 ILE 67 HG23 ILE 67 13.019 -1.075 -3.947 592 HD11 ILE 67 HD11 ILE 67 10.912 -2.392 -5.709 593 HD12 ILE 67 HD12 ILE 67 9.571 -1.332 -6.148 594 HD13 ILE 67 HD13 ILE 67 9.292 -2.714 -5.089 595 H ASP 68 HN ASP 68 13.166 2.206 -1.832 596 HA ASP 68 HA ASP 68 12.883 4.686 -3.172 597 HB2 ASP 68 HB2 ASP 68 13.609 4.579 -0.825 598 HB3 ASP 68 HB1 ASP 68 15.093 3.772 -1.316 599 H GLU 69 HN GLU 69 15.028 2.016 -3.508 600 HA GLU 69 HA GLU 69 17.039 3.028 -5.162 601 HB2 GLU 69 HB2 GLU 69 15.766 0.321 -5.459 602 HB3 GLU 69 HB1 GLU 69 17.404 0.779 -5.877 603 HG2 GLU 69 HG2 GLU 69 17.936 1.077 -3.527 604 HG3 GLU 69 HG1 GLU 69 16.270 0.681 -3.103 605 H LYS 70 HN LYS 70 13.761 2.046 -5.922 606 HA LYS 70 HA LYS 70 14.246 2.485 -8.793 607 HB2 LYS 70 HB2 LYS 70 11.953 1.132 -7.379 608 HB3 LYS 70 HB1 LYS 70 12.084 1.299 -9.130 609 HG2 LYS 70 HG2 LYS 70 14.062 -0.151 -9.079 610 HG3 LYS 70 HG1 LYS 70 13.937 -0.262 -7.324 611 HD2 LYS 70 HD2 LYS 70 11.629 -1.223 -7.636 612 HD3 LYS 70 HD1 LYS 70 11.950 -1.269 -9.366 613 HE2 LYS 70 HE2 LYS 70 13.876 -2.754 -8.963 614 HE3 LYS 70 HE1 LYS 70 13.542 -2.681 -7.234 615 HZ1 LYS 70 HZ1 LYS 70 12.672 -4.704 -8.184 616 HZ2 LYS 70 HZ2 LYS 70 11.761 -3.838 -9.302 617 HZ3 LYS 70 HZ3 LYS 70 11.359 -3.764 -7.688 618 H VAL 71 HN VAL 71 13.131 4.025 -6.089 619 HA VAL 71 HA VAL 71 11.967 5.867 -5.593 620 HB VAL 71 HB VAL 71 12.028 6.512 -8.586 621 HG11 VAL 71 HG11 VAL 71 11.902 8.362 -6.195 622 HG12 VAL 71 HG12 VAL 71 10.583 8.019 -7.313 623 HG13 VAL 71 HG13 VAL 71 12.019 8.869 -7.881 624 HG21 VAL 71 HG21 VAL 71 14.118 7.128 -6.498 625 HG22 VAL 71 HG22 VAL 71 14.137 7.704 -8.163 626 HG23 VAL 71 HG23 VAL 71 14.277 5.977 -7.822 627 H VAL 72 HN VAL 72 10.545 3.445 -6.045 628 HA VAL 72 HA VAL 72 7.966 4.577 -6.787 629 HB VAL 72 HB VAL 72 8.733 3.232 -8.725 630 HG11 VAL 72 HG11 VAL 72 10.122 1.639 -7.630 631 HG12 VAL 72 HG12 VAL 72 8.898 0.803 -8.591 632 HG13 VAL 72 HG13 VAL 72 8.732 0.904 -6.834 633 HG21 VAL 72 HG21 VAL 72 6.740 1.810 -9.001 634 HG22 VAL 72 HG22 VAL 72 6.328 3.388 -8.331 635 HG23 VAL 72 HG23 VAL 72 6.398 1.977 -7.279 636 H VAL 73 HN VAL 73 6.330 4.044 -5.572 637 HA VAL 73 HA VAL 73 6.744 2.371 -3.243 638 HB VAL 73 HB VAL 73 4.562 4.346 -4.019 639 HG11 VAL 73 HG11 VAL 73 3.707 4.058 -1.745 640 HG12 VAL 73 HG12 VAL 73 4.914 2.806 -1.454 641 HG13 VAL 73 HG13 VAL 73 3.646 2.547 -2.654 642 HG21 VAL 73 HG21 VAL 73 5.446 5.706 -2.178 643 HG22 VAL 73 HG22 VAL 73 6.651 5.419 -3.436 644 HG23 VAL 73 HG23 VAL 73 6.721 4.512 -1.928 645 H PHE 74 HN PHE 74 6.098 0.359 -3.451 646 HA PHE 74 HA PHE 74 4.260 -0.314 -5.630 647 HB2 PHE 74 HB2 PHE 74 6.537 -1.253 -5.789 648 HB3 PHE 74 HB1 PHE 74 6.323 -2.018 -4.222 649 HD1 PHE 74 HD2 PHE 74 5.031 -1.948 -7.686 650 HD2 PHE 74 HD1 PHE 74 5.348 -4.143 -4.055 651 HE1 PHE 74 HE2 PHE 74 4.120 -3.930 -8.809 652 HE2 PHE 74 HE1 PHE 74 4.437 -6.133 -5.173 653 HZ PHE 74 HZ PHE 74 3.818 -6.026 -7.554 654 H VAL 75 HN VAL 75 2.280 -0.604 -4.920 655 HA VAL 75 HA VAL 75 1.686 -1.342 -2.213 656 HB VAL 75 HB VAL 75 -0.187 -1.171 -4.597 657 HG11 VAL 75 HG11 VAL 75 -1.124 -2.518 -2.799 658 HG12 VAL 75 HG12 VAL 75 -1.981 -0.983 -2.921 659 HG13 VAL 75 HG13 VAL 75 -0.797 -1.234 -1.640 660 HG21 VAL 75 HG21 VAL 75 0.457 0.890 -2.485 661 HG22 VAL 75 HG22 VAL 75 -0.811 1.038 -3.698 662 HG23 VAL 75 HG23 VAL 75 0.880 0.969 -4.195 663 H ILE 76 HN ILE 76 1.531 -3.275 -1.447 664 HA ILE 76 HA ILE 76 1.946 -5.504 -3.277 665 HB ILE 76 HB ILE 76 2.133 -5.477 -0.250 666 HG12 ILE 76 HG12 ILE 76 4.374 -5.191 -2.268 667 HG13 ILE 76 HG11 ILE 76 3.717 -3.863 -1.320 668 HG21 ILE 76 HG21 ILE 76 1.849 -7.677 -1.284 669 HG22 ILE 76 HG22 ILE 76 3.467 -7.503 -0.595 670 HG23 ILE 76 HG23 ILE 76 3.228 -7.365 -2.338 671 HD11 ILE 76 HD11 ILE 76 5.801 -4.712 -0.389 672 HD12 ILE 76 HD12 ILE 76 5.071 -6.308 -0.204 673 HD13 ILE 76 HD13 ILE 76 4.456 -4.945 0.726 674 H SER 77 HN SER 77 -0.226 -4.386 -0.679 675 HA SER 77 HA SER 77 -2.315 -6.057 -1.691 676 HB2 SER 77 HB2 SER 77 -1.021 -7.596 -0.183 677 HB3 SER 77 HB1 SER 77 -1.313 -6.483 1.147 678 HG SER 77 HG SER 77 -2.889 -8.422 0.227 679 H VAL 78 HN VAL 78 -4.368 -5.435 -0.782 680 HA VAL 78 HA VAL 78 -4.453 -3.202 1.012 681 HB VAL 78 HB VAL 78 -4.113 -2.122 -1.204 682 HG11 VAL 78 HG11 VAL 78 -5.025 -3.797 -2.666 683 HG12 VAL 78 HG12 VAL 78 -5.813 -2.247 -2.955 684 HG13 VAL 78 HG13 VAL 78 -6.646 -3.502 -2.040 685 HG21 VAL 78 HG21 VAL 78 -5.438 -0.943 0.441 686 HG22 VAL 78 HG22 VAL 78 -6.904 -1.743 -0.139 687 HG23 VAL 78 HG23 VAL 78 -6.034 -0.618 -1.187 688 H GLY 79 HN GLY 79 -6.510 -3.062 2.006 689 HA2 GLY 79 HA2 GLY 79 -8.943 -3.859 1.328 690 HA3 GLY 79 HA1 GLY 79 -8.179 -5.415 1.610 691 H LYS 80 HN LYS 80 -9.525 -5.850 3.377 692 HA LYS 80 HA LYS 80 -9.316 -4.050 5.654 693 HB2 LYS 80 HB2 LYS 80 -10.809 -6.667 5.409 694 HB3 LYS 80 HB1 LYS 80 -10.928 -5.528 6.742 695 HG2 LYS 80 HG2 LYS 80 -11.846 -3.855 5.170 696 HG3 LYS 80 HG1 LYS 80 -11.818 -5.082 3.905 697 HD2 LYS 80 HD2 LYS 80 -13.256 -6.509 5.364 698 HD3 LYS 80 HD1 LYS 80 -13.344 -5.128 6.473 699 HE2 LYS 80 HE2 LYS 80 -14.365 -3.767 4.733 700 HE3 LYS 80 HE1 LYS 80 -14.234 -5.100 3.598 701 HZ1 LYS 80 HZ1 LYS 80 -16.447 -4.906 4.512 702 HZ2 LYS 80 HZ2 LYS 80 -15.884 -5.140 6.072 703 HZ3 LYS 80 HZ3 LYS 80 -15.761 -6.377 4.926 704 H ALA 81 HN ALA 81 -8.184 -4.567 7.488 705 HA ALA 81 HA ALA 81 -6.599 -7.013 7.311 706 HB1 ALA 81 HB1 ALA 81 -4.605 -5.812 7.947 707 HB2 ALA 81 HB2 ALA 81 -5.502 -4.297 7.973 708 HB3 ALA 81 HB3 ALA 81 -5.270 -5.159 6.451 709 H GLU 82 HN GLU 82 -7.481 -8.091 8.976 710 HA GLU 82 HA GLU 82 -7.768 -6.802 11.525 711 HB2 GLU 82 HB2 GLU 82 -7.833 -9.762 10.857 712 HB3 GLU 82 HB1 GLU 82 -8.344 -9.034 12.369 713 HG2 GLU 82 HG2 GLU 82 -9.633 -8.575 9.685 714 HG3 GLU 82 HG1 GLU 82 -10.253 -9.617 10.963 715 H ALA 83 HN ALA 83 -5.563 -8.991 9.923 716 HA ALA 83 HA ALA 83 -3.260 -7.879 11.009 717 HB1 ALA 83 HB1 ALA 83 -3.934 -10.552 12.272 718 HB2 ALA 83 HB2 ALA 83 -3.925 -9.002 13.111 719 HB3 ALA 83 HB3 ALA 83 -2.425 -9.659 12.457 720 H SER 84 HN SER 84 -4.086 -11.268 10.432 721 HA SER 84 HA SER 84 -1.676 -11.784 9.099 722 HB2 SER 84 HB2 SER 84 -2.971 -13.425 10.442 723 HB3 SER 84 HB1 SER 84 -4.167 -13.473 9.158 724 HG SER 84 HG SER 84 -1.803 -13.909 8.010 725 H GLU 85 HN GLU 85 -4.805 -10.849 7.825 726 HA GLU 85 HA GLU 85 -4.772 -12.191 5.370 727 HB2 GLU 85 HB2 GLU 85 -6.722 -11.019 6.343 728 HB3 GLU 85 HB1 GLU 85 -5.982 -9.478 5.934 729 HG2 GLU 85 HG2 GLU 85 -7.606 -9.949 4.278 730 HG3 GLU 85 HG1 GLU 85 -6.026 -10.210 3.537 731 H VAL 86 HN VAL 86 -3.723 -8.864 6.035 732 HA VAL 86 HA VAL 86 -2.813 -8.604 3.330 733 HB VAL 86 HB VAL 86 -2.000 -6.346 3.968 734 HG11 VAL 86 HG11 VAL 86 -4.214 -5.366 4.365 735 HG12 VAL 86 HG12 VAL 86 -4.839 -6.964 4.780 736 HG13 VAL 86 HG13 VAL 86 -4.270 -6.638 3.144 737 HG21 VAL 86 HG21 VAL 86 -3.118 -7.042 6.688 738 HG22 VAL 86 HG22 VAL 86 -2.567 -5.443 6.191 739 HG23 VAL 86 HG23 VAL 86 -1.417 -6.777 6.304 740 H TYR 87 HN TYR 87 -1.351 -9.389 6.365 741 HA TYR 87 HA TYR 87 1.318 -8.818 5.479 742 HB2 TYR 87 HB2 TYR 87 0.434 -10.503 7.820 743 HB3 TYR 87 HB1 TYR 87 2.071 -9.995 7.501 744 HD1 TYR 87 HD1 TYR 87 1.162 -7.087 6.621 745 HD2 TYR 87 HD2 TYR 87 0.407 -9.519 10.029 746 HE1 TYR 87 HE1 TYR 87 0.831 -5.075 7.982 747 HE2 TYR 87 HE2 TYR 87 0.063 -7.503 11.395 748 HH TYR 87 HH TYR 87 0.738 -5.187 11.359 749 H SER 88 HN SER 88 -0.608 -11.782 5.832 750 HA SER 88 HA SER 88 1.431 -13.527 5.039 751 HB2 SER 88 HB2 SER 88 -1.568 -13.877 4.848 752 HB3 SER 88 HB1 SER 88 -0.361 -15.167 4.786 753 HG SER 88 HG SER 88 0.228 -13.850 6.895 754 H GLU 89 HN GLU 89 -1.100 -11.813 3.230 755 HA GLU 89 HA GLU 89 -0.495 -12.996 0.754 756 HB2 GLU 89 HB2 GLU 89 -2.569 -11.693 1.187 757 HB3 GLU 89 HB1 GLU 89 -1.601 -10.228 1.280 758 HG2 GLU 89 HG2 GLU 89 -2.652 -10.380 -0.885 759 HG3 GLU 89 HG1 GLU 89 -0.907 -10.563 -1.057 760 H ALA 90 HN ALA 90 0.632 -10.023 2.336 761 HA ALA 90 HA ALA 90 2.199 -9.010 0.297 762 HB1 ALA 90 HB1 ALA 90 2.734 -8.750 3.250 763 HB2 ALA 90 HB2 ALA 90 1.615 -7.753 2.321 764 HB3 ALA 90 HB3 ALA 90 3.345 -7.692 1.978 765 H VAL 91 HN VAL 91 3.216 -11.165 2.933 766 HA VAL 91 HA VAL 91 5.878 -11.290 1.988 767 HB VAL 91 HB VAL 91 5.313 -11.777 4.348 768 HG11 VAL 91 HG11 VAL 91 3.255 -12.986 4.077 769 HG12 VAL 91 HG12 VAL 91 4.399 -13.922 5.039 770 HG13 VAL 91 HG13 VAL 91 4.117 -14.342 3.349 771 HG21 VAL 91 HG21 VAL 91 6.682 -14.083 2.978 772 HG22 VAL 91 HG22 VAL 91 6.802 -13.692 4.693 773 HG23 VAL 91 HG23 VAL 91 7.436 -12.574 3.487 774 H LYS 92 HN LYS 92 3.015 -13.128 1.221 775 HA LYS 92 HA LYS 92 4.445 -15.086 -0.282 776 HB2 LYS 92 HB2 LYS 92 1.573 -14.587 0.263 777 HB3 LYS 92 HB1 LYS 92 1.960 -15.433 -1.220 778 HG2 LYS 92 HG2 LYS 92 1.429 -16.980 0.594 779 HG3 LYS 92 HG1 LYS 92 3.078 -17.187 0.022 780 HD2 LYS 92 HD2 LYS 92 3.925 -15.994 1.953 781 HD3 LYS 92 HD1 LYS 92 2.279 -15.649 2.495 782 HE2 LYS 92 HE2 LYS 92 3.243 -17.513 3.748 783 HE3 LYS 92 HE1 LYS 92 1.870 -18.046 2.784 784 HZ1 LYS 92 HZ1 LYS 92 3.443 -18.905 1.132 785 HZ2 LYS 92 HZ2 LYS 92 3.655 -19.621 2.619 786 HZ3 LYS 92 HZ3 LYS 92 4.745 -18.449 2.103 787 H ARG 93 HN ARG 93 3.668 -11.891 -0.994 788 HA ARG 93 HA ARG 93 3.304 -12.342 -3.856 789 HB2 ARG 93 HB2 ARG 93 3.622 -9.726 -2.370 790 HB3 ARG 93 HB1 ARG 93 3.239 -9.886 -4.070 791 HG2 ARG 93 HG2 ARG 93 1.504 -10.663 -1.734 792 HG3 ARG 93 HG1 ARG 93 1.265 -9.310 -2.836 793 HD2 ARG 93 HD2 ARG 93 1.209 -12.215 -3.560 794 HD3 ARG 93 HD1 ARG 93 -0.208 -11.182 -3.337 795 HE ARG 93 HE ARG 93 0.862 -9.856 -5.255 796 HH11 ARG 93 HH11 ARG 93 0.874 -13.391 -4.981 797 HH12 ARG 93 HH12 ARG 93 1.127 -13.635 -6.646 798 HH21 ARG 93 HH21 ARG 93 1.252 -10.169 -7.405 799 HH22 ARG 93 HH22 ARG 93 1.353 -11.737 -8.117 800 H ILE 94 HN ILE 94 5.918 -11.983 -1.743 801 HA ILE 94 HA ILE 94 7.646 -11.206 -3.988 802 HB ILE 94 HB ILE 94 8.038 -10.298 -1.121 803 HG12 ILE 94 HG12 ILE 94 7.182 -8.643 -3.509 804 HG13 ILE 94 HG11 ILE 94 6.069 -9.244 -2.286 805 HG21 ILE 94 HG21 ILE 94 9.477 -9.541 -3.678 806 HG22 ILE 94 HG22 ILE 94 10.130 -10.553 -2.391 807 HG23 ILE 94 HG23 ILE 94 9.785 -8.850 -2.084 808 HD11 ILE 94 HD11 ILE 94 7.248 -7.960 -0.594 809 HD12 ILE 94 HD12 ILE 94 6.656 -6.929 -1.900 810 HD13 ILE 94 HD13 ILE 94 8.363 -7.368 -1.824 811 H LEU 95 HN LEU 95 8.496 -13.170 -4.412 812 HA LEU 95 HA LEU 95 10.591 -14.116 -2.872 813 HB2 LEU 95 HB2 LEU 95 8.698 -15.080 -1.521 814 HB3 LEU 95 HB1 LEU 95 8.196 -15.954 -2.952 815 HG LEU 95 HG LEU 95 10.367 -17.155 -2.960 816 HD11 LEU 95 HD11 LEU 95 10.787 -15.750 -0.329 817 HD12 LEU 95 HD12 LEU 95 11.749 -15.547 -1.794 818 HD13 LEU 95 HD13 LEU 95 11.759 -17.086 -0.937 819 HD21 LEU 95 HD21 LEU 95 8.810 -17.385 -0.390 820 HD22 LEU 95 HD22 LEU 95 9.868 -18.616 -1.086 821 HD23 LEU 95 HD23 LEU 95 8.387 -18.150 -1.923 Start of MODEL 20 1 H MET 1 H MET 1 10.121 16.444 -3.199 2 HA MET 1 HA MET 1 11.000 15.106 -4.964 3 HB2 MET 1 HB2 MET 1 13.124 14.552 -3.756 4 HB3 MET 1 HB1 MET 1 12.210 13.510 -2.684 5 HG2 MET 1 HG2 MET 1 11.660 12.056 -4.570 6 HG3 MET 1 HG1 MET 1 12.564 13.122 -5.647 7 HE1 MET 1 HE1 MET 1 13.116 9.974 -5.415 8 HE2 MET 1 HE2 MET 1 14.878 9.971 -5.449 9 HE3 MET 1 HE3 MET 1 13.976 11.057 -6.503 10 H ALA 2 HN ALA 2 9.755 13.266 -5.611 11 HA ALA 2 HA ALA 2 7.885 12.261 -3.606 12 HB1 ALA 2 HB1 ALA 2 6.119 12.309 -5.314 13 HB2 ALA 2 HB2 ALA 2 7.239 13.055 -6.452 14 HB3 ALA 2 HB3 ALA 2 6.746 13.930 -5.005 15 H TYR 3 HN TYR 3 6.915 10.208 -4.345 16 HA TYR 3 HA TYR 3 8.817 8.638 -5.935 17 HB2 TYR 3 HB2 TYR 3 7.140 7.813 -3.545 18 HB3 TYR 3 HB1 TYR 3 7.964 6.673 -4.588 19 HD1 TYR 3 HD2 TYR 3 8.664 9.642 -2.411 20 HD2 TYR 3 HD1 TYR 3 10.113 5.993 -4.044 21 HE1 TYR 3 HE2 TYR 3 10.682 9.825 -1.017 22 HE2 TYR 3 HE1 TYR 3 12.132 6.168 -2.656 23 HH TYR 3 HH TYR 3 13.388 8.043 -1.597 24 H PHE 4 HN PHE 4 7.780 6.769 -7.010 25 HA PHE 4 HA PHE 4 5.262 7.587 -8.213 26 HB2 PHE 4 HB2 PHE 4 7.131 5.276 -8.799 27 HB3 PHE 4 HB1 PHE 4 5.671 5.611 -9.718 28 HD1 PHE 4 HD2 PHE 4 5.569 7.564 -11.193 29 HD2 PHE 4 HD1 PHE 4 9.117 6.586 -9.063 30 HE1 PHE 4 HE2 PHE 4 6.858 9.072 -12.651 31 HE2 PHE 4 HE1 PHE 4 10.410 8.090 -10.514 32 HZ PHE 4 HZ PHE 4 9.283 9.334 -12.312 33 H LEU 5 HN LEU 5 3.512 5.884 -8.427 34 HA LEU 5 HA LEU 5 3.456 4.146 -6.053 35 HB2 LEU 5 HB2 LEU 5 2.090 6.324 -5.875 36 HB3 LEU 5 HB1 LEU 5 1.067 5.671 -7.125 37 HG LEU 5 HG LEU 5 0.056 5.466 -4.900 38 HD11 LEU 5 HD11 LEU 5 -0.493 3.080 -4.873 39 HD12 LEU 5 HD12 LEU 5 0.761 2.800 -6.078 40 HD13 LEU 5 HD13 LEU 5 -0.633 3.810 -6.474 41 HD21 LEU 5 HD21 LEU 5 2.044 5.294 -3.546 42 HD22 LEU 5 HD22 LEU 5 2.396 3.706 -4.237 43 HD23 LEU 5 HD23 LEU 5 0.968 3.930 -3.238 44 H ASP 6 HN ASP 6 3.120 2.047 -6.653 45 HA ASP 6 HA ASP 6 1.488 1.551 -9.041 46 HB2 ASP 6 HB2 ASP 6 4.081 1.338 -9.428 47 HB3 ASP 6 HB1 ASP 6 3.927 -0.147 -8.498 48 H PHE 7 HN PHE 7 0.997 -0.939 -9.064 49 HA PHE 7 HA PHE 7 0.345 -1.812 -6.324 50 HB2 PHE 7 HB2 PHE 7 -1.602 -1.814 -8.658 51 HB3 PHE 7 HB1 PHE 7 -1.900 -2.474 -7.069 52 HD1 PHE 7 HD2 PHE 7 -1.673 0.563 -9.080 53 HD2 PHE 7 HD1 PHE 7 -2.436 -1.021 -5.207 54 HE1 PHE 7 HE2 PHE 7 -2.685 2.701 -8.411 55 HE2 PHE 7 HE1 PHE 7 -3.457 1.111 -4.533 56 HZ PHE 7 HZ PHE 7 -3.583 2.977 -6.138 57 H ASP 8 HN ASP 8 0.719 -3.984 -6.080 58 HA ASP 8 HA ASP 8 1.700 -5.653 -8.111 59 HB2 ASP 8 HB2 ASP 8 1.984 -6.251 -5.736 60 HB3 ASP 8 HB1 ASP 8 0.241 -6.418 -5.551 61 H GLU 9 HN GLU 9 0.607 -7.459 -9.154 62 HA GLU 9 HA GLU 9 -1.677 -6.686 -10.473 63 HB2 GLU 9 HB2 GLU 9 -1.906 -9.081 -11.171 64 HB3 GLU 9 HB1 GLU 9 -0.321 -8.379 -11.452 65 HG2 GLU 9 HG2 GLU 9 0.624 -9.565 -9.632 66 HG3 GLU 9 HG1 GLU 9 -0.973 -10.040 -9.048 67 H ARG 10 HN ARG 10 -1.429 -8.706 -7.523 68 HA ARG 10 HA ARG 10 -4.170 -9.371 -7.353 69 HB2 ARG 10 HB2 ARG 10 -1.992 -9.084 -5.350 70 HB3 ARG 10 HB1 ARG 10 -3.635 -9.405 -4.856 71 HG2 ARG 10 HG2 ARG 10 -3.569 -11.491 -6.169 72 HG3 ARG 10 HG1 ARG 10 -1.861 -11.160 -6.524 73 HD2 ARG 10 HD2 ARG 10 -2.325 -12.622 -4.494 74 HD3 ARG 10 HD1 ARG 10 -1.263 -11.229 -4.237 75 HE ARG 10 HE ARG 10 -4.130 -11.003 -3.720 76 HH11 ARG 10 HH11 ARG 10 -0.935 -11.278 -2.289 77 HH12 ARG 10 HH12 ARG 10 -1.285 -10.263 -0.953 78 HH21 ARG 10 HH21 ARG 10 -4.614 -9.543 -1.878 79 HH22 ARG 10 HH22 ARG 10 -3.394 -9.326 -0.706 80 H ALA 11 HN ALA 11 -2.253 -6.794 -5.985 81 HA ALA 11 HA ALA 11 -4.222 -5.623 -4.385 82 HB1 ALA 11 HB1 ALA 11 -1.823 -4.301 -5.648 83 HB2 ALA 11 HB2 ALA 11 -1.833 -5.162 -4.107 84 HB3 ALA 11 HB3 ALA 11 -2.758 -3.674 -4.290 85 H LEU 12 HN LEU 12 -3.427 -5.209 -7.748 86 HA LEU 12 HA LEU 12 -4.958 -2.881 -8.174 87 HB2 LEU 12 HB2 LEU 12 -3.165 -3.903 -9.696 88 HB3 LEU 12 HB1 LEU 12 -4.422 -5.005 -10.196 89 HG LEU 12 HG LEU 12 -5.769 -3.188 -11.080 90 HD11 LEU 12 HD11 LEU 12 -4.829 -0.935 -11.293 91 HD12 LEU 12 HD12 LEU 12 -3.462 -1.417 -10.288 92 HD13 LEU 12 HD13 LEU 12 -5.091 -1.382 -9.611 93 HD21 LEU 12 HD21 LEU 12 -4.208 -4.311 -12.554 94 HD22 LEU 12 HD22 LEU 12 -2.930 -3.178 -12.095 95 HD23 LEU 12 HD23 LEU 12 -4.347 -2.609 -12.977 96 H LYS 13 HN LYS 13 -5.762 -6.344 -8.413 97 HA LYS 13 HA LYS 13 -8.397 -5.957 -9.421 98 HB2 LYS 13 HB2 LYS 13 -7.140 -8.273 -7.943 99 HB3 LYS 13 HB1 LYS 13 -8.847 -8.269 -8.326 100 HG2 LYS 13 HG2 LYS 13 -7.648 -9.586 -9.949 101 HG3 LYS 13 HG1 LYS 13 -8.279 -8.135 -10.722 102 HD2 LYS 13 HD2 LYS 13 -6.116 -7.099 -10.613 103 HD3 LYS 13 HD1 LYS 13 -5.478 -8.469 -9.716 104 HE2 LYS 13 HE2 LYS 13 -6.547 -8.602 -12.539 105 HE3 LYS 13 HE1 LYS 13 -4.843 -8.478 -12.108 106 HZ1 LYS 13 HZ1 LYS 13 -5.473 -10.721 -12.597 107 HZ2 LYS 13 HZ2 LYS 13 -6.654 -10.711 -11.402 108 HZ3 LYS 13 HZ3 LYS 13 -5.021 -10.610 -10.979 109 H GLU 14 HN GLU 14 -7.061 -6.241 -6.214 110 HA GLU 14 HA GLU 14 -9.553 -6.089 -4.942 111 HB2 GLU 14 HB2 GLU 14 -6.800 -5.624 -3.791 112 HB3 GLU 14 HB1 GLU 14 -8.274 -5.785 -2.842 113 HG2 GLU 14 HG2 GLU 14 -8.607 -8.023 -4.017 114 HG3 GLU 14 HG1 GLU 14 -6.960 -7.843 -4.574 115 H TRP 15 HN TRP 15 -7.235 -3.675 -5.837 116 HA TRP 15 HA TRP 15 -8.351 -1.399 -4.658 117 HB2 TRP 15 HB2 TRP 15 -6.158 -1.440 -5.719 118 HB3 TRP 15 HB1 TRP 15 -6.882 -1.843 -7.262 119 HD1 TRP 15 HD1 TRP 15 -7.396 0.085 -8.818 120 HE1 TRP 15 HE1 TRP 15 -7.265 2.685 -8.625 121 HE3 TRP 15 HE3 TRP 15 -6.556 0.476 -3.803 122 HZ2 TRP 15 HZ2 TRP 15 -6.866 4.604 -6.589 123 HZ3 TRP 15 HZ3 TRP 15 -6.308 2.708 -2.803 124 HH2 TRP 15 HH2 TRP 15 -6.456 4.722 -4.161 125 H ARG 16 HN ARG 16 -9.126 -3.075 -7.647 126 HA ARG 16 HA ARG 16 -11.162 -1.254 -8.501 127 HB2 ARG 16 HB2 ARG 16 -10.636 -4.128 -9.285 128 HB3 ARG 16 HB1 ARG 16 -11.781 -3.065 -10.090 129 HG2 ARG 16 HG2 ARG 16 -10.008 -1.613 -10.804 130 HG3 ARG 16 HG1 ARG 16 -8.826 -2.543 -9.883 131 HD2 ARG 16 HD2 ARG 16 -9.265 -4.489 -11.265 132 HD3 ARG 16 HD1 ARG 16 -10.461 -3.570 -12.192 133 HE ARG 16 HE ARG 16 -8.283 -2.065 -12.443 134 HH11 ARG 16 HH11 ARG 16 -8.705 -5.549 -12.966 135 HH12 ARG 16 HH12 ARG 16 -7.488 -5.646 -14.138 136 HH21 ARG 16 HH21 ARG 16 -6.663 -2.213 -14.070 137 HH22 ARG 16 HH22 ARG 16 -6.325 -3.715 -14.826 138 H LYS 17 HN LYS 17 -11.045 -4.187 -6.650 139 HA LYS 17 HA LYS 17 -13.795 -4.710 -6.268 140 HB2 LYS 17 HB2 LYS 17 -12.075 -6.354 -5.797 141 HB3 LYS 17 HB1 LYS 17 -11.375 -5.293 -4.585 142 HG2 LYS 17 HG2 LYS 17 -13.362 -5.533 -3.218 143 HG3 LYS 17 HG1 LYS 17 -14.075 -6.596 -4.431 144 HD2 LYS 17 HD2 LYS 17 -12.352 -8.230 -4.093 145 HD3 LYS 17 HD1 LYS 17 -11.460 -7.131 -3.036 146 HE2 LYS 17 HE2 LYS 17 -12.666 -8.764 -1.709 147 HE3 LYS 17 HE1 LYS 17 -13.312 -7.130 -1.488 148 HZ1 LYS 17 HZ1 LYS 17 -15.062 -8.744 -1.670 149 HZ2 LYS 17 HZ2 LYS 17 -14.513 -9.238 -3.190 150 HZ3 LYS 17 HZ3 LYS 17 -15.124 -7.684 -2.980 151 H LEU 18 HN LEU 18 -11.564 -2.571 -4.671 152 HA LEU 18 HA LEU 18 -13.120 -1.919 -2.428 153 HB2 LEU 18 HB2 LEU 18 -10.724 -0.894 -3.704 154 HB3 LEU 18 HB1 LEU 18 -11.693 0.359 -2.967 155 HG LEU 18 HG LEU 18 -11.587 -0.807 -0.828 156 HD11 LEU 18 HD11 LEU 18 -10.051 -2.670 -0.498 157 HD12 LEU 18 HD12 LEU 18 -9.782 -2.749 -2.245 158 HD13 LEU 18 HD13 LEU 18 -11.386 -3.074 -1.577 159 HD21 LEU 18 HD21 LEU 18 -10.000 0.891 -1.356 160 HD22 LEU 18 HD22 LEU 18 -8.929 -0.290 -2.116 161 HD23 LEU 18 HD23 LEU 18 -9.244 -0.365 -0.376 162 H GLY 19 HN GLY 19 -14.399 -0.259 -1.960 163 HA2 GLY 19 HA2 GLY 19 -16.079 0.765 -4.040 164 HA3 GLY 19 HA1 GLY 19 -16.154 1.210 -2.332 165 H SER 20 HN SER 20 -16.280 2.928 -4.696 166 HA SER 20 HA SER 20 -13.974 4.170 -5.464 167 HB2 SER 20 HB2 SER 20 -15.554 6.114 -5.918 168 HB3 SER 20 HB1 SER 20 -15.947 4.559 -6.657 169 HG SER 20 HG SER 20 -17.687 5.730 -5.543 170 H THR 21 HN THR 21 -16.150 5.246 -2.929 171 HA THR 21 HA THR 21 -14.722 7.490 -2.127 172 HB THR 21 HB THR 21 -16.502 5.761 -0.398 173 HG1 THR 21 HG1 THR 21 -18.161 7.056 -1.246 174 HG21 THR 21 HG21 THR 21 -15.288 7.530 0.823 175 HG22 THR 21 HG22 THR 21 -17.012 7.887 0.740 176 HG23 THR 21 HG23 THR 21 -15.885 8.726 -0.325 177 H VAL 22 HN VAL 22 -14.465 4.136 -1.052 178 HA VAL 22 HA VAL 22 -12.726 4.662 1.144 179 HB VAL 22 HB VAL 22 -13.107 2.086 -0.413 180 HG11 VAL 22 HG11 VAL 22 -11.916 2.559 2.322 181 HG12 VAL 22 HG12 VAL 22 -11.036 2.082 0.872 182 HG13 VAL 22 HG13 VAL 22 -12.213 0.983 1.592 183 HG21 VAL 22 HG21 VAL 22 -14.624 1.441 1.404 184 HG22 VAL 22 HG22 VAL 22 -15.197 2.887 0.565 185 HG23 VAL 22 HG23 VAL 22 -14.414 3.031 2.137 186 H ARG 23 HN ARG 23 -12.229 3.555 -2.167 187 HA ARG 23 HA ARG 23 -9.432 3.467 -1.861 188 HB2 ARG 23 HB2 ARG 23 -9.272 3.300 -4.320 189 HB3 ARG 23 HB1 ARG 23 -10.325 2.103 -3.596 190 HG2 ARG 23 HG2 ARG 23 -12.217 3.099 -4.396 191 HG3 ARG 23 HG1 ARG 23 -11.451 4.631 -4.768 192 HD2 ARG 23 HD2 ARG 23 -10.077 3.447 -6.442 193 HD3 ARG 23 HD1 ARG 23 -10.937 1.947 -6.081 194 HE ARG 23 HE ARG 23 -12.287 4.347 -7.124 195 HH11 ARG 23 HH11 ARG 23 -11.749 0.824 -7.231 196 HH12 ARG 23 HH12 ARG 23 -12.815 0.580 -8.540 197 HH21 ARG 23 HH21 ARG 23 -13.715 3.979 -8.940 198 HH22 ARG 23 HH22 ARG 23 -13.946 2.396 -9.527 199 H GLU 24 HN GLU 24 -11.603 6.029 -2.919 200 HA GLU 24 HA GLU 24 -9.653 7.768 -3.879 201 HB2 GLU 24 HB2 GLU 24 -12.218 8.388 -2.463 202 HB3 GLU 24 HB1 GLU 24 -11.175 9.629 -3.139 203 HG2 GLU 24 HG2 GLU 24 -11.447 8.467 -5.347 204 HG3 GLU 24 HG1 GLU 24 -12.698 7.488 -4.573 205 H GLN 25 HN GLN 25 -10.817 7.324 -0.554 206 HA GLN 25 HA GLN 25 -9.071 9.344 0.368 207 HB2 GLN 25 HB2 GLN 25 -10.750 7.337 1.796 208 HB3 GLN 25 HB1 GLN 25 -9.468 8.144 2.687 209 HG2 GLN 25 HG2 GLN 25 -11.484 9.354 3.056 210 HG3 GLN 25 HG1 GLN 25 -10.450 10.320 2.015 211 HE21 GLN 25 HE21 GLN 25 -13.372 8.550 2.296 212 HE22 GLN 25 HE22 GLN 25 -14.074 9.102 0.823 213 H LEU 26 HN LEU 26 -8.689 5.906 0.018 214 HA LEU 26 HA LEU 26 -6.147 5.804 1.247 215 HB2 LEU 26 HB2 LEU 26 -7.378 4.103 -0.902 216 HB3 LEU 26 HB1 LEU 26 -5.795 3.771 -0.232 217 HG LEU 26 HG LEU 26 -8.371 3.773 1.370 218 HD11 LEU 26 HD11 LEU 26 -6.673 1.492 0.390 219 HD12 LEU 26 HD12 LEU 26 -8.271 1.922 -0.208 220 HD13 LEU 26 HD13 LEU 26 -8.074 1.360 1.452 221 HD21 LEU 26 HD21 LEU 26 -6.993 2.774 3.125 222 HD22 LEU 26 HD22 LEU 26 -6.397 4.378 2.706 223 HD23 LEU 26 HD23 LEU 26 -5.564 2.943 2.112 224 H LYS 27 HN LYS 27 -7.140 6.424 -2.075 225 HA LYS 27 HA LYS 27 -4.644 6.763 -3.269 226 HB2 LYS 27 HB2 LYS 27 -6.758 6.705 -4.510 227 HB3 LYS 27 HB1 LYS 27 -7.223 8.229 -3.779 228 HG2 LYS 27 HG2 LYS 27 -5.203 9.244 -4.877 229 HG3 LYS 27 HG1 LYS 27 -5.006 7.728 -5.762 230 HD2 LYS 27 HD2 LYS 27 -6.199 9.267 -7.173 231 HD3 LYS 27 HD1 LYS 27 -7.340 8.035 -6.626 232 HE2 LYS 27 HE2 LYS 27 -8.169 9.581 -4.890 233 HE3 LYS 27 HE1 LYS 27 -6.993 10.779 -5.426 234 HZ1 LYS 27 HZ1 LYS 27 -9.207 11.197 -6.313 235 HZ2 LYS 27 HZ2 LYS 27 -9.205 9.712 -7.108 236 HZ3 LYS 27 HZ3 LYS 27 -8.106 10.891 -7.535 237 H LYS 28 HN LYS 28 -6.712 9.079 -1.571 238 HA LYS 28 HA LYS 28 -5.101 11.349 -1.811 239 HB2 LYS 28 HB2 LYS 28 -6.974 10.583 0.439 240 HB3 LYS 28 HB1 LYS 28 -6.265 12.181 0.245 241 HG2 LYS 28 HG2 LYS 28 -7.394 12.439 -1.859 242 HG3 LYS 28 HG1 LYS 28 -8.073 10.814 -1.716 243 HD2 LYS 28 HD2 LYS 28 -9.164 11.547 0.400 244 HD3 LYS 28 HD1 LYS 28 -8.585 13.181 0.072 245 HE2 LYS 28 HE2 LYS 28 -10.370 11.547 -1.698 246 HE3 LYS 28 HE1 LYS 28 -10.898 12.865 -0.652 247 HZ1 LYS 28 HZ1 LYS 28 -9.501 14.378 -1.982 248 HZ2 LYS 28 HZ2 LYS 28 -10.662 13.616 -2.930 249 HZ3 LYS 28 HZ3 LYS 28 -9.067 13.100 -2.994 250 H LYS 29 HN LYS 29 -5.128 8.810 0.618 251 HA LYS 29 HA LYS 29 -3.031 9.818 2.209 252 HB2 LYS 29 HB2 LYS 29 -3.983 6.980 1.833 253 HB3 LYS 29 HB1 LYS 29 -2.804 7.495 3.032 254 HG2 LYS 29 HG2 LYS 29 -5.672 8.384 2.880 255 HG3 LYS 29 HG1 LYS 29 -4.988 7.236 4.036 256 HD2 LYS 29 HD2 LYS 29 -3.443 9.029 4.794 257 HD3 LYS 29 HD1 LYS 29 -4.307 10.159 3.754 258 HE2 LYS 29 HE2 LYS 29 -6.381 9.652 4.991 259 HE3 LYS 29 HE1 LYS 29 -5.440 8.599 6.049 260 HZ1 LYS 29 HZ1 LYS 29 -4.093 10.518 6.682 261 HZ2 LYS 29 HZ2 LYS 29 -5.724 10.783 7.040 262 HZ3 LYS 29 HZ3 LYS 29 -5.031 11.509 5.697 263 H LEU 30 HN LEU 30 -3.041 7.652 -0.532 264 HA LEU 30 HA LEU 30 -0.303 7.069 -0.519 265 HB2 LEU 30 HB2 LEU 30 -2.202 7.181 -2.854 266 HB3 LEU 30 HB1 LEU 30 -0.608 6.450 -2.880 267 HG LEU 30 HG LEU 30 -2.954 5.527 -1.235 268 HD11 LEU 30 HD11 LEU 30 -3.261 5.048 -3.567 269 HD12 LEU 30 HD12 LEU 30 -2.893 3.557 -2.694 270 HD13 LEU 30 HD13 LEU 30 -1.649 4.349 -3.664 271 HD21 LEU 30 HD21 LEU 30 -1.520 3.596 -0.689 272 HD22 LEU 30 HD22 LEU 30 -0.915 5.123 -0.055 273 HD23 LEU 30 HD23 LEU 30 -0.159 4.408 -1.477 274 H VAL 31 HN VAL 31 -2.136 9.578 -2.213 275 HA VAL 31 HA VAL 31 0.158 10.546 -3.526 276 HB VAL 31 HB VAL 31 -2.193 10.901 -4.353 277 HG11 VAL 31 HG11 VAL 31 -2.313 13.126 -2.351 278 HG12 VAL 31 HG12 VAL 31 -3.227 11.627 -2.312 279 HG13 VAL 31 HG13 VAL 31 -3.500 12.790 -3.618 280 HG21 VAL 31 HG21 VAL 31 -0.489 13.377 -4.192 281 HG22 VAL 31 HG22 VAL 31 -1.804 13.081 -5.340 282 HG23 VAL 31 HG23 VAL 31 -0.358 12.075 -5.381 283 H GLU 32 HN GLU 32 -1.340 11.498 -0.432 284 HA GLU 32 HA GLU 32 0.472 13.641 -0.115 285 HB2 GLU 32 HB2 GLU 32 -0.176 13.706 2.279 286 HB3 GLU 32 HB1 GLU 32 -1.565 13.663 1.205 287 HG2 GLU 32 HG2 GLU 32 -1.975 11.389 1.708 288 HG3 GLU 32 HG1 GLU 32 -0.480 11.251 2.629 289 H VAL 33 HN VAL 33 0.550 10.263 0.906 290 HA VAL 33 HA VAL 33 2.811 10.507 2.509 291 HB VAL 33 HB VAL 33 1.091 8.574 2.442 292 HG11 VAL 33 HG11 VAL 33 3.051 7.438 0.480 293 HG12 VAL 33 HG12 VAL 33 1.390 7.897 0.148 294 HG13 VAL 33 HG13 VAL 33 1.728 6.557 1.250 295 HG21 VAL 33 HG21 VAL 33 2.846 8.636 4.067 296 HG22 VAL 33 HG22 VAL 33 4.013 8.094 2.874 297 HG23 VAL 33 HG23 VAL 33 2.746 6.989 3.426 298 H LEU 34 HN LEU 34 2.559 10.137 -0.914 299 HA LEU 34 HA LEU 34 4.996 9.035 -1.605 300 HB2 LEU 34 HB2 LEU 34 3.459 11.175 -3.058 301 HB3 LEU 34 HB1 LEU 34 4.837 10.338 -3.733 302 HG LEU 34 HG LEU 34 2.211 9.071 -2.956 303 HD11 LEU 34 HD11 LEU 34 2.023 10.480 -4.928 304 HD12 LEU 34 HD12 LEU 34 1.895 8.775 -5.357 305 HD13 LEU 34 HD13 LEU 34 3.393 9.651 -5.664 306 HD21 LEU 34 HD21 LEU 34 3.104 7.073 -4.083 307 HD22 LEU 34 HD22 LEU 34 4.042 7.503 -2.661 308 HD23 LEU 34 HD23 LEU 34 4.659 7.882 -4.270 309 H GLU 35 HN GLU 35 4.490 12.256 -0.335 310 HA GLU 35 HA GLU 35 6.952 13.350 -1.271 311 HB2 GLU 35 HB2 GLU 35 6.656 15.067 0.472 312 HB3 GLU 35 HB1 GLU 35 5.196 14.831 -0.477 313 HG2 GLU 35 HG2 GLU 35 4.236 13.499 1.314 314 HG3 GLU 35 HG1 GLU 35 5.717 13.675 2.250 315 H SER 36 HN SER 36 6.082 11.337 1.432 316 HA SER 36 HA SER 36 8.808 10.769 2.035 317 HB2 SER 36 HB2 SER 36 7.101 12.154 4.129 318 HB3 SER 36 HB1 SER 36 8.650 11.376 4.443 319 HG SER 36 HG SER 36 8.817 13.090 2.375 320 HA PRO 37 HA PRO 37 5.786 7.394 2.899 321 HB2 PRO 37 HB2 PRO 37 6.768 5.521 1.255 322 HB3 PRO 37 HB1 PRO 37 5.718 6.807 0.652 323 HG2 PRO 37 HG2 PRO 37 8.702 6.596 0.528 324 HG3 PRO 37 HG1 PRO 37 7.568 7.106 -0.735 325 HD2 PRO 37 HD2 PRO 37 8.993 8.865 0.808 326 HD3 PRO 37 HD1 PRO 37 7.404 9.233 0.096 327 H ARG 38 HN ARG 38 8.906 8.025 3.442 328 HA ARG 38 HA ARG 38 9.664 5.432 4.489 329 HB2 ARG 38 HB2 ARG 38 11.859 6.577 5.002 330 HB3 ARG 38 HB1 ARG 38 11.422 6.459 3.312 331 HG2 ARG 38 HG2 ARG 38 12.368 8.614 3.617 332 HG3 ARG 38 HG1 ARG 38 10.641 8.858 3.467 333 HD2 ARG 38 HD2 ARG 38 11.582 10.256 5.233 334 HD3 ARG 38 HD1 ARG 38 10.445 9.078 5.887 335 HE ARG 38 HE ARG 38 12.904 7.892 6.087 336 HH11 ARG 38 HH11 ARG 38 11.496 10.870 7.321 337 HH12 ARG 38 HH12 ARG 38 12.445 10.922 8.726 338 HH21 ARG 38 HH21 ARG 38 14.171 7.902 8.040 339 HH22 ARG 38 HH22 ARG 38 13.978 9.163 9.160 340 H ILE 39 HN ILE 39 7.516 6.804 5.752 341 HA ILE 39 HA ILE 39 8.498 7.889 8.263 342 HB ILE 39 HB ILE 39 5.652 7.347 7.324 343 HG12 ILE 39 HG12 ILE 39 7.154 9.955 7.567 344 HG13 ILE 39 HG11 ILE 39 6.887 9.091 6.056 345 HG21 ILE 39 HG21 ILE 39 6.580 8.896 9.749 346 HG22 ILE 39 HG22 ILE 39 5.801 7.316 9.777 347 HG23 ILE 39 HG23 ILE 39 4.909 8.729 9.207 348 HD11 ILE 39 HD11 ILE 39 4.767 10.297 7.827 349 HD12 ILE 39 HD12 ILE 39 4.477 9.404 6.330 350 HD13 ILE 39 HD13 ILE 39 5.354 10.933 6.286 351 H GLU 40 HN GLU 40 9.318 6.462 9.591 352 HA GLU 40 HA GLU 40 8.651 3.759 9.486 353 HB2 GLU 40 HB2 GLU 40 10.210 3.418 11.376 354 HB3 GLU 40 HB1 GLU 40 10.896 4.273 10.007 355 HG2 GLU 40 HG2 GLU 40 10.683 6.370 11.215 356 HG3 GLU 40 HG1 GLU 40 9.982 5.506 12.588 357 H ALA 41 HN ALA 41 7.188 6.232 11.215 358 HA ALA 41 HA ALA 41 6.149 4.754 13.382 359 HB1 ALA 41 HB1 ALA 41 5.988 7.206 13.245 360 HB2 ALA 41 HB2 ALA 41 4.401 6.477 13.497 361 HB3 ALA 41 HB3 ALA 41 4.861 7.057 11.897 362 H ASN 42 HN ASN 42 5.375 4.805 10.008 363 HA ASN 42 HA ASN 42 2.994 3.136 10.446 364 HB2 ASN 42 HB2 ASN 42 3.902 4.704 8.021 365 HB3 ASN 42 HB1 ASN 42 2.580 3.544 7.968 366 HD21 ASN 42 HD21 ASN 42 2.612 6.444 7.508 367 HD22 ASN 42 HD22 ASN 42 1.469 7.120 8.601 368 H LYS 43 HN LYS 43 6.061 2.599 10.312 369 HA LYS 43 HA LYS 43 6.438 0.834 8.120 370 HB2 LYS 43 HB2 LYS 43 8.073 1.980 10.123 371 HB3 LYS 43 HB1 LYS 43 8.244 0.236 10.202 372 HG2 LYS 43 HG2 LYS 43 8.837 0.131 7.879 373 HG3 LYS 43 HG1 LYS 43 8.560 1.856 7.713 374 HD2 LYS 43 HD2 LYS 43 10.349 2.278 9.378 375 HD3 LYS 43 HD1 LYS 43 10.680 0.545 9.402 376 HE2 LYS 43 HE2 LYS 43 10.619 2.005 6.837 377 HE3 LYS 43 HE1 LYS 43 12.095 2.103 7.829 378 HZ1 LYS 43 HZ1 LYS 43 12.107 0.450 6.079 379 HZ2 LYS 43 HZ2 LYS 43 10.810 -0.384 6.841 380 HZ3 LYS 43 HZ3 LYS 43 12.311 -0.223 7.610 381 H LEU 44 HN LEU 44 6.584 -1.282 8.070 382 HA LEU 44 HA LEU 44 5.296 -2.763 10.222 383 HB2 LEU 44 HB2 LEU 44 6.208 -3.574 7.467 384 HB3 LEU 44 HB1 LEU 44 5.605 -4.720 8.650 385 HG LEU 44 HG LEU 44 4.003 -2.420 7.522 386 HD11 LEU 44 HD11 LEU 44 2.800 -4.146 6.314 387 HD12 LEU 44 HD12 LEU 44 3.933 -5.367 6.909 388 HD13 LEU 44 HD13 LEU 44 4.491 -4.092 5.819 389 HD21 LEU 44 HD21 LEU 44 2.131 -3.632 8.510 390 HD22 LEU 44 HD22 LEU 44 3.279 -3.068 9.735 391 HD23 LEU 44 HD23 LEU 44 3.260 -4.766 9.249 392 H ARG 45 HN ARG 45 6.419 -3.888 11.636 393 HA ARG 45 HA ARG 45 9.275 -3.633 11.656 394 HB2 ARG 45 HB2 ARG 45 7.275 -4.782 13.586 395 HB3 ARG 45 HB1 ARG 45 9.007 -4.772 13.871 396 HG2 ARG 45 HG2 ARG 45 9.064 -2.396 13.957 397 HG3 ARG 45 HG1 ARG 45 7.408 -2.278 13.348 398 HD2 ARG 45 HD2 ARG 45 8.186 -3.569 15.956 399 HD3 ARG 45 HD1 ARG 45 7.607 -1.907 15.800 400 HE ARG 45 HE ARG 45 5.626 -3.049 14.662 401 HH11 ARG 45 HH11 ARG 45 7.348 -4.433 17.442 402 HH12 ARG 45 HH12 ARG 45 5.972 -5.228 18.041 403 HH21 ARG 45 HH21 ARG 45 3.752 -4.146 15.553 404 HH22 ARG 45 HH22 ARG 45 3.918 -5.044 16.985 405 H GLY 46 HN GLY 46 10.662 -5.124 11.066 406 HA2 GLY 46 HA2 GLY 46 11.551 -7.275 10.872 407 HA3 GLY 46 HA1 GLY 46 9.948 -7.941 11.160 408 H MET 47 HN MET 47 9.946 -5.443 8.972 409 HA MET 47 HA MET 47 9.858 -7.303 6.687 410 HB2 MET 47 HB2 MET 47 8.111 -4.900 7.267 411 HB3 MET 47 HB1 MET 47 8.073 -5.828 5.781 412 HG2 MET 47 HG2 MET 47 7.471 -6.985 8.497 413 HG3 MET 47 HG1 MET 47 6.244 -6.339 7.414 414 HE1 MET 47 HE1 MET 47 7.094 -7.225 4.549 415 HE2 MET 47 HE2 MET 47 5.476 -7.407 5.233 416 HE3 MET 47 HE3 MET 47 6.241 -8.768 4.442 417 HA PRO 48 HA PRO 48 12.735 -4.217 5.217 418 HB2 PRO 48 HB2 PRO 48 12.943 -4.973 2.621 419 HB3 PRO 48 HB1 PRO 48 13.718 -5.864 3.932 420 HG2 PRO 48 HG2 PRO 48 11.249 -6.510 2.412 421 HG3 PRO 48 HG1 PRO 48 12.468 -7.595 3.098 422 HD2 PRO 48 HD2 PRO 48 9.980 -7.045 4.233 423 HD3 PRO 48 HD1 PRO 48 11.376 -7.717 5.096 424 H ASP 49 HN ASP 49 11.754 -2.430 5.373 425 HA ASP 49 HA ASP 49 10.533 -0.568 4.967 426 HB2 ASP 49 HB2 ASP 49 11.655 -1.038 2.213 427 HB3 ASP 49 HB1 ASP 49 10.877 0.458 2.714 428 H CYS 50 HN CYS 50 8.735 -2.213 5.345 429 HA CYS 50 HA CYS 50 6.825 -1.786 3.177 430 HB2 CYS 50 HB2 CYS 50 6.741 -3.854 5.392 431 HB3 CYS 50 HB1 CYS 50 5.611 -3.708 4.047 432 HG CYS 50 HG CYS 50 8.741 -4.072 2.969 433 H TYR 51 HN TYR 51 4.902 -0.806 3.785 434 HA TYR 51 HA TYR 51 4.731 0.199 6.543 435 HB2 TYR 51 HB2 TYR 51 4.405 1.911 4.050 436 HB3 TYR 51 HB1 TYR 51 4.222 2.452 5.707 437 HD1 TYR 51 HD2 TYR 51 6.721 1.161 3.270 438 HD2 TYR 51 HD1 TYR 51 6.093 3.307 6.880 439 HE1 TYR 51 HE2 TYR 51 9.086 1.803 3.282 440 HE2 TYR 51 HE1 TYR 51 8.467 3.958 6.895 441 HH TYR 51 HH TYR 51 10.544 3.463 4.203 442 H LYS 52 HN LYS 52 2.513 0.988 6.984 443 HA LYS 52 HA LYS 52 0.596 0.025 5.023 444 HB2 LYS 52 HB2 LYS 52 -0.818 -1.062 6.631 445 HB3 LYS 52 HB1 LYS 52 0.791 -1.725 6.804 446 HG2 LYS 52 HG2 LYS 52 -0.230 0.452 8.612 447 HG3 LYS 52 HG1 LYS 52 -0.553 -1.248 8.925 448 HD2 LYS 52 HD2 LYS 52 1.813 -1.695 9.112 449 HD3 LYS 52 HD1 LYS 52 2.198 -0.036 8.642 450 HE2 LYS 52 HE2 LYS 52 1.276 0.837 10.603 451 HE3 LYS 52 HE1 LYS 52 0.508 -0.686 11.043 452 HZ1 LYS 52 HZ1 LYS 52 2.644 -1.618 11.502 453 HZ2 LYS 52 HZ2 LYS 52 2.474 -0.191 12.359 454 HZ3 LYS 52 HZ3 LYS 52 3.476 -0.230 11.002 455 H ILE 53 HN ILE 53 -1.142 1.178 4.783 456 HA ILE 53 HA ILE 53 -1.505 3.535 6.482 457 HB ILE 53 HB ILE 53 -2.311 3.061 3.583 458 HG12 ILE 53 HG12 ILE 53 -0.402 5.047 4.833 459 HG13 ILE 53 HG11 ILE 53 0.046 3.634 3.888 460 HG21 ILE 53 HG21 ILE 53 -4.093 4.302 4.722 461 HG22 ILE 53 HG22 ILE 53 -3.248 5.332 3.571 462 HG23 ILE 53 HG23 ILE 53 -2.918 5.487 5.293 463 HD11 ILE 53 HD11 ILE 53 0.241 5.656 2.571 464 HD12 ILE 53 HD12 ILE 53 -1.446 6.047 2.895 465 HD13 ILE 53 HD13 ILE 53 -1.047 4.626 1.933 466 H LYS 54 HN LYS 54 -3.530 3.860 7.308 467 HA LYS 54 HA LYS 54 -5.395 1.719 6.872 468 HB2 LYS 54 HB2 LYS 54 -5.998 1.630 9.292 469 HB3 LYS 54 HB1 LYS 54 -4.368 1.086 8.969 470 HG2 LYS 54 HG2 LYS 54 -5.045 3.835 9.988 471 HG3 LYS 54 HG1 LYS 54 -4.670 2.468 11.034 472 HD2 LYS 54 HD2 LYS 54 -2.459 2.310 10.140 473 HD3 LYS 54 HD1 LYS 54 -2.796 3.496 8.889 474 HE2 LYS 54 HE2 LYS 54 -1.607 4.632 10.515 475 HE3 LYS 54 HE1 LYS 54 -3.307 5.075 10.715 476 HZ1 LYS 54 HZ1 LYS 54 -1.906 3.028 12.351 477 HZ2 LYS 54 HZ2 LYS 54 -3.491 3.552 12.566 478 HZ3 LYS 54 HZ3 LYS 54 -2.217 4.597 12.871 479 H LEU 55 HN LEU 55 -7.394 2.246 6.703 480 HA LEU 55 HA LEU 55 -8.048 5.067 6.516 481 HB2 LEU 55 HB2 LEU 55 -8.446 3.003 4.841 482 HB3 LEU 55 HB1 LEU 55 -9.861 2.766 5.829 483 HG LEU 55 HG LEU 55 -10.289 3.930 3.684 484 HD11 LEU 55 HD11 LEU 55 -10.886 5.543 6.132 485 HD12 LEU 55 HD12 LEU 55 -11.883 4.273 5.410 486 HD13 LEU 55 HD13 LEU 55 -11.609 5.786 4.542 487 HD21 LEU 55 HD21 LEU 55 -9.600 6.216 3.383 488 HD22 LEU 55 HD22 LEU 55 -8.207 5.138 3.528 489 HD23 LEU 55 HD23 LEU 55 -8.681 6.162 4.887 490 H ARG 56 HN ARG 56 -9.575 5.969 7.993 491 HA ARG 56 HA ARG 56 -10.299 4.121 10.152 492 HB2 ARG 56 HB2 ARG 56 -10.394 6.084 11.669 493 HB3 ARG 56 HB1 ARG 56 -8.805 5.794 10.982 494 HG2 ARG 56 HG2 ARG 56 -9.256 7.590 9.332 495 HG3 ARG 56 HG1 ARG 56 -10.773 7.930 10.172 496 HD2 ARG 56 HD2 ARG 56 -8.995 9.451 10.882 497 HD3 ARG 56 HD1 ARG 56 -9.521 8.426 12.215 498 HE ARG 56 HE ARG 56 -7.537 7.013 11.638 499 HH11 ARG 56 HH11 ARG 56 -7.503 10.520 11.053 500 HH12 ARG 56 HH12 ARG 56 -5.826 10.680 11.169 501 HH21 ARG 56 HH21 ARG 56 -5.233 7.224 11.818 502 HH22 ARG 56 HH22 ARG 56 -4.485 8.736 11.622 503 H SER 57 HN SER 57 -11.668 6.045 7.765 504 HA SER 57 HA SER 57 -14.223 6.361 9.023 505 HB2 SER 57 HB2 SER 57 -13.529 6.468 6.078 506 HB3 SER 57 HB1 SER 57 -14.940 7.181 6.869 507 HG SER 57 HG SER 57 -13.369 8.372 8.154 508 H SER 58 HN SER 58 -12.614 3.943 7.150 509 HA SER 58 HA SER 58 -14.778 2.054 7.521 510 HB2 SER 58 HB2 SER 58 -13.335 2.486 4.872 511 HB3 SER 58 HB1 SER 58 -14.586 1.289 5.197 512 HG SER 58 HG SER 58 -15.747 2.794 4.350 513 H GLY 59 HN GLY 59 -13.815 -0.010 7.941 514 HA2 GLY 59 HA2 GLY 59 -11.089 0.080 8.745 515 HA3 GLY 59 HA1 GLY 59 -12.152 -1.315 8.807 516 H TYR 60 HN TYR 60 -10.229 0.624 6.574 517 HA TYR 60 HA TYR 60 -9.530 -1.846 5.177 518 HB2 TYR 60 HB2 TYR 60 -10.175 0.851 4.021 519 HB3 TYR 60 HB1 TYR 60 -9.149 -0.286 3.154 520 HD1 TYR 60 HD1 TYR 60 -12.572 0.251 4.482 521 HD2 TYR 60 HD2 TYR 60 -10.049 -2.161 2.068 522 HE1 TYR 60 HE1 TYR 60 -14.551 -0.885 3.554 523 HE2 TYR 60 HE2 TYR 60 -12.008 -3.300 1.135 524 HH TYR 60 HH TYR 60 -14.288 -3.749 1.749 525 H ARG 61 HN ARG 61 -7.447 -2.124 4.606 526 HA ARG 61 HA ARG 61 -5.534 -0.155 5.600 527 HB2 ARG 61 HB2 ARG 61 -5.367 -3.174 5.889 528 HB3 ARG 61 HB1 ARG 61 -4.060 -2.073 6.238 529 HG2 ARG 61 HG2 ARG 61 -4.988 -2.749 8.312 530 HG3 ARG 61 HG1 ARG 61 -5.512 -1.088 8.057 531 HD2 ARG 61 HD2 ARG 61 -7.708 -1.830 7.411 532 HD3 ARG 61 HD1 ARG 61 -7.197 -3.515 7.423 533 HE ARG 61 HE ARG 61 -6.712 -2.383 9.921 534 HH11 ARG 61 HH11 ARG 61 -9.554 -3.248 7.955 535 HH12 ARG 61 HH12 ARG 61 -10.477 -3.756 9.289 536 HH21 ARG 61 HH21 ARG 61 -8.027 -3.060 11.744 537 HH22 ARG 61 HH22 ARG 61 -9.601 -3.637 11.484 538 H LEU 62 HN LEU 62 -3.657 -0.085 4.400 539 HA LEU 62 HA LEU 62 -3.577 -1.698 1.968 540 HB2 LEU 62 HB2 LEU 62 -4.558 0.565 1.529 541 HB3 LEU 62 HB1 LEU 62 -3.109 1.297 2.159 542 HG LEU 62 HG LEU 62 -3.050 -0.480 -0.285 543 HD11 LEU 62 HD11 LEU 62 -3.445 2.507 -0.148 544 HD12 LEU 62 HD12 LEU 62 -4.636 1.329 -0.711 545 HD13 LEU 62 HD13 LEU 62 -3.135 1.569 -1.609 546 HD21 LEU 62 HD21 LEU 62 -1.040 0.819 -0.781 547 HD22 LEU 62 HD22 LEU 62 -0.908 -0.010 0.772 548 HD23 LEU 62 HD23 LEU 62 -1.261 1.720 0.720 549 H VAL 63 HN VAL 63 -1.635 -2.640 1.751 550 HA VAL 63 HA VAL 63 0.564 -1.640 3.424 551 HB VAL 63 HB VAL 63 -0.063 -4.526 2.685 552 HG11 VAL 63 HG11 VAL 63 1.810 -5.124 4.157 553 HG12 VAL 63 HG12 VAL 63 2.172 -3.417 4.391 554 HG13 VAL 63 HG13 VAL 63 2.354 -4.145 2.793 555 HG21 VAL 63 HG21 VAL 63 -0.421 -4.833 5.091 556 HG22 VAL 63 HG22 VAL 63 -1.548 -3.665 4.401 557 HG23 VAL 63 HG23 VAL 63 -0.168 -3.107 5.343 558 H TYR 64 HN TYR 64 2.405 -1.200 2.426 559 HA TYR 64 HA TYR 64 2.820 -2.198 -0.272 560 HB2 TYR 64 HB2 TYR 64 3.392 0.067 -1.110 561 HB3 TYR 64 HB1 TYR 64 1.722 -0.095 -0.630 562 HD1 TYR 64 HD2 TYR 64 4.962 1.043 0.920 563 HD2 TYR 64 HD1 TYR 64 0.788 1.644 0.474 564 HE1 TYR 64 HE2 TYR 64 5.121 3.092 2.258 565 HE2 TYR 64 HE1 TYR 64 0.930 3.691 1.789 566 HH TYR 64 HH TYR 64 3.896 5.159 2.586 567 H GLN 65 HN GLN 65 4.985 -1.961 -1.029 568 HA GLN 65 HA GLN 65 6.925 -1.610 1.139 569 HB2 GLN 65 HB2 GLN 65 8.492 -2.972 -0.153 570 HB3 GLN 65 HB1 GLN 65 7.007 -3.878 0.086 571 HG2 GLN 65 HG2 GLN 65 6.321 -3.396 -2.198 572 HG3 GLN 65 HG1 GLN 65 7.744 -2.386 -2.430 573 HE21 GLN 65 HE21 GLN 65 9.494 -4.273 -0.971 574 HE22 GLN 65 HE22 GLN 65 9.736 -5.590 -2.047 575 H VAL 66 HN VAL 66 8.561 -0.146 0.803 576 HA VAL 66 HA VAL 66 8.143 1.564 -1.528 577 HB VAL 66 HB VAL 66 9.713 2.137 1.018 578 HG11 VAL 66 HG11 VAL 66 9.158 3.939 -1.352 579 HG12 VAL 66 HG12 VAL 66 10.726 3.266 -0.912 580 HG13 VAL 66 HG13 VAL 66 9.938 4.432 0.152 581 HG21 VAL 66 HG21 VAL 66 7.291 2.143 1.316 582 HG22 VAL 66 HG22 VAL 66 7.122 3.296 -0.008 583 HG23 VAL 66 HG23 VAL 66 7.963 3.763 1.472 584 H ILE 67 HN ILE 67 9.332 1.101 -3.201 585 HA ILE 67 HA ILE 67 11.834 -0.284 -2.776 586 HB ILE 67 HB ILE 67 10.551 0.442 -5.428 587 HG12 ILE 67 HG12 ILE 67 10.275 -2.152 -3.867 588 HG13 ILE 67 HG11 ILE 67 9.003 -0.959 -4.078 589 HG21 ILE 67 HG21 ILE 67 12.628 -1.608 -4.642 590 HG22 ILE 67 HG22 ILE 67 12.922 -0.113 -5.531 591 HG23 ILE 67 HG23 ILE 67 11.970 -1.402 -6.263 592 HD11 ILE 67 HD11 ILE 67 10.299 -2.553 -6.280 593 HD12 ILE 67 HD12 ILE 67 9.001 -1.377 -6.480 594 HD13 ILE 67 HD13 ILE 67 8.713 -2.860 -5.570 595 H ASP 68 HN ASP 68 13.199 1.231 -2.061 596 HA ASP 68 HA ASP 68 13.365 3.906 -2.940 597 HB2 ASP 68 HB2 ASP 68 14.214 3.325 -0.778 598 HB3 ASP 68 HB1 ASP 68 15.296 2.123 -1.451 599 H GLU 69 HN GLU 69 14.792 0.986 -4.026 600 HA GLU 69 HA GLU 69 16.910 1.849 -5.640 601 HB2 GLU 69 HB2 GLU 69 15.027 -0.438 -6.147 602 HB3 GLU 69 HB1 GLU 69 16.632 -0.238 -6.818 603 HG2 GLU 69 HG2 GLU 69 17.632 -0.539 -4.673 604 HG3 GLU 69 HG1 GLU 69 16.047 -0.543 -3.893 605 H LYS 70 HN LYS 70 13.465 1.559 -6.306 606 HA LYS 70 HA LYS 70 13.897 2.432 -9.081 607 HB2 LYS 70 HB2 LYS 70 11.611 0.962 -7.800 608 HB3 LYS 70 HB1 LYS 70 11.660 1.427 -9.506 609 HG2 LYS 70 HG2 LYS 70 13.523 -0.061 -9.861 610 HG3 LYS 70 HG1 LYS 70 13.623 -0.402 -8.133 611 HD2 LYS 70 HD2 LYS 70 11.333 -1.374 -8.251 612 HD3 LYS 70 HD1 LYS 70 11.359 -1.119 -9.995 613 HE2 LYS 70 HE2 LYS 70 13.242 -2.594 -10.241 614 HE3 LYS 70 HE1 LYS 70 13.392 -2.757 -8.494 615 HZ1 LYS 70 HZ1 LYS 70 11.088 -3.718 -10.126 616 HZ2 LYS 70 HZ2 LYS 70 11.216 -3.859 -8.468 617 HZ3 LYS 70 HZ3 LYS 70 12.291 -4.670 -9.450 618 H VAL 71 HN VAL 71 12.992 3.583 -6.122 619 HA VAL 71 HA VAL 71 11.927 5.373 -5.303 620 HB VAL 71 HB VAL 71 12.071 6.476 -8.159 621 HG11 VAL 71 HG11 VAL 71 10.641 7.835 -6.716 622 HG12 VAL 71 HG12 VAL 71 12.132 8.696 -7.101 623 HG13 VAL 71 HG13 VAL 71 11.931 7.944 -5.519 624 HG21 VAL 71 HG21 VAL 71 14.102 6.627 -5.937 625 HG22 VAL 71 HG22 VAL 71 14.194 7.516 -7.449 626 HG23 VAL 71 HG23 VAL 71 14.270 5.751 -7.458 627 H VAL 72 HN VAL 72 10.341 3.256 -5.816 628 HA VAL 72 HA VAL 72 7.829 4.537 -6.499 629 HB VAL 72 HB VAL 72 8.519 3.289 -8.533 630 HG11 VAL 72 HG11 VAL 72 8.401 0.823 -6.822 631 HG12 VAL 72 HG12 VAL 72 9.848 1.584 -7.462 632 HG13 VAL 72 HG13 VAL 72 8.667 0.873 -8.572 633 HG21 VAL 72 HG21 VAL 72 6.130 3.508 -8.085 634 HG22 VAL 72 HG22 VAL 72 6.164 2.028 -7.128 635 HG23 VAL 72 HG23 VAL 72 6.474 1.961 -8.862 636 H VAL 73 HN VAL 73 6.200 3.976 -5.284 637 HA VAL 73 HA VAL 73 6.641 2.216 -3.032 638 HB VAL 73 HB VAL 73 4.401 4.153 -3.710 639 HG11 VAL 73 HG11 VAL 73 4.971 2.672 -1.161 640 HG12 VAL 73 HG12 VAL 73 3.635 2.368 -2.270 641 HG13 VAL 73 HG13 VAL 73 3.722 3.894 -1.385 642 HG21 VAL 73 HG21 VAL 73 6.706 4.448 -1.789 643 HG22 VAL 73 HG22 VAL 73 5.366 5.580 -1.956 644 HG23 VAL 73 HG23 VAL 73 6.480 5.328 -3.299 645 H PHE 74 HN PHE 74 5.964 0.190 -3.280 646 HA PHE 74 HA PHE 74 4.115 -0.421 -5.471 647 HB2 PHE 74 HB2 PHE 74 6.408 -1.288 -5.673 648 HB3 PHE 74 HB1 PHE 74 6.236 -2.102 -4.132 649 HD1 PHE 74 HD1 PHE 74 5.154 -2.051 -7.643 650 HD2 PHE 74 HD2 PHE 74 5.149 -4.211 -3.979 651 HE1 PHE 74 HE1 PHE 74 4.394 -4.060 -8.830 652 HE2 PHE 74 HE2 PHE 74 4.384 -6.219 -5.156 653 HZ PHE 74 HZ PHE 74 4.008 -6.152 -7.583 654 H VAL 75 HN VAL 75 2.137 -0.705 -4.705 655 HA VAL 75 HA VAL 75 1.571 -1.536 -2.032 656 HB VAL 75 HB VAL 75 -0.298 -1.365 -4.414 657 HG11 VAL 75 HG11 VAL 75 -2.092 -1.183 -2.749 658 HG12 VAL 75 HG12 VAL 75 -0.913 -1.452 -1.465 659 HG13 VAL 75 HG13 VAL 75 -1.237 -2.722 -2.643 660 HG21 VAL 75 HG21 VAL 75 0.372 0.696 -2.312 661 HG22 VAL 75 HG22 VAL 75 -0.946 0.835 -3.474 662 HG23 VAL 75 HG23 VAL 75 0.722 0.784 -4.037 663 H ILE 76 HN ILE 76 1.465 -3.511 -1.275 664 HA ILE 76 HA ILE 76 1.796 -5.759 -3.100 665 HB ILE 76 HB ILE 76 1.770 -5.697 -0.066 666 HG12 ILE 76 HG12 ILE 76 4.150 -5.784 -1.941 667 HG13 ILE 76 HG11 ILE 76 3.622 -4.360 -1.054 668 HG21 ILE 76 HG21 ILE 76 2.678 -7.853 -1.977 669 HG22 ILE 76 HG22 ILE 76 1.245 -7.907 -0.952 670 HG23 ILE 76 HG23 ILE 76 2.849 -7.902 -0.225 671 HD11 ILE 76 HD11 ILE 76 4.591 -6.939 0.173 672 HD12 ILE 76 HD12 ILE 76 4.080 -5.507 1.058 673 HD13 ILE 76 HD13 ILE 76 5.519 -5.446 0.037 674 H SER 77 HN SER 77 -0.439 -4.552 -0.624 675 HA SER 77 HA SER 77 -2.596 -6.061 -1.765 676 HB2 SER 77 HB2 SER 77 -1.600 -6.620 1.038 677 HB3 SER 77 HB1 SER 77 -3.172 -7.157 0.425 678 HG SER 77 HG SER 77 -1.147 -7.769 -1.248 679 H VAL 78 HN VAL 78 -4.635 -5.313 -1.075 680 HA VAL 78 HA VAL 78 -4.735 -3.133 0.799 681 HB VAL 78 HB VAL 78 -4.303 -2.017 -1.370 682 HG11 VAL 78 HG11 VAL 78 -5.109 -3.671 -2.911 683 HG12 VAL 78 HG12 VAL 78 -5.902 -2.127 -3.223 684 HG13 VAL 78 HG13 VAL 78 -6.767 -3.409 -2.378 685 HG21 VAL 78 HG21 VAL 78 -5.731 -0.863 0.213 686 HG22 VAL 78 HG22 VAL 78 -7.153 -1.668 -0.454 687 HG23 VAL 78 HG23 VAL 78 -6.244 -0.521 -1.439 688 H GLY 79 HN GLY 79 -6.627 -3.206 1.928 689 HA2 GLY 79 HA2 GLY 79 -9.132 -3.829 1.288 690 HA3 GLY 79 HA1 GLY 79 -8.389 -5.420 1.293 691 H LYS 80 HN LYS 80 -9.563 -6.143 3.057 692 HA LYS 80 HA LYS 80 -9.158 -4.680 5.527 693 HB2 LYS 80 HB2 LYS 80 -10.889 -7.099 4.965 694 HB3 LYS 80 HB1 LYS 80 -10.785 -6.273 6.515 695 HG2 LYS 80 HG2 LYS 80 -11.590 -4.196 5.393 696 HG3 LYS 80 HG1 LYS 80 -11.842 -5.140 3.929 697 HD2 LYS 80 HD2 LYS 80 -13.164 -5.658 6.595 698 HD3 LYS 80 HD1 LYS 80 -13.913 -4.811 5.244 699 HE2 LYS 80 HE2 LYS 80 -13.699 -6.859 3.882 700 HE3 LYS 80 HE1 LYS 80 -12.999 -7.690 5.271 701 HZ1 LYS 80 HZ1 LYS 80 -15.743 -6.550 5.124 702 HZ2 LYS 80 HZ2 LYS 80 -15.069 -7.292 6.483 703 HZ3 LYS 80 HZ3 LYS 80 -15.326 -8.185 5.078 704 H ALA 81 HN ALA 81 -8.097 -5.483 7.282 705 HA ALA 81 HA ALA 81 -6.639 -7.980 6.971 706 HB1 ALA 81 HB1 ALA 81 -4.626 -6.855 7.830 707 HB2 ALA 81 HB2 ALA 81 -5.472 -5.312 7.774 708 HB3 ALA 81 HB3 ALA 81 -5.129 -6.185 6.278 709 H GLU 82 HN GLU 82 -7.170 -9.122 8.753 710 HA GLU 82 HA GLU 82 -8.114 -7.580 11.043 711 HB2 GLU 82 HB2 GLU 82 -9.625 -9.288 9.976 712 HB3 GLU 82 HB1 GLU 82 -8.477 -10.520 10.487 713 HG2 GLU 82 HG2 GLU 82 -10.347 -10.408 12.023 714 HG3 GLU 82 HG1 GLU 82 -8.858 -9.898 12.818 715 H ALA 83 HN ALA 83 -6.018 -10.246 10.118 716 HA ALA 83 HA ALA 83 -4.442 -9.652 12.504 717 HB1 ALA 83 HB1 ALA 83 -5.908 -11.529 13.085 718 HB2 ALA 83 HB2 ALA 83 -4.197 -11.960 13.117 719 HB3 ALA 83 HB3 ALA 83 -5.202 -12.457 11.760 720 H SER 84 HN SER 84 -4.446 -11.701 9.548 721 HA SER 84 HA SER 84 -1.662 -10.861 9.213 722 HB2 SER 84 HB2 SER 84 -0.981 -13.224 8.885 723 HB3 SER 84 HB1 SER 84 -1.459 -12.825 10.537 724 HG SER 84 HG SER 84 -2.881 -14.274 8.573 725 H GLU 85 HN GLU 85 -4.500 -10.920 7.760 726 HA GLU 85 HA GLU 85 -4.417 -12.560 5.545 727 HB2 GLU 85 HB2 GLU 85 -5.743 -9.886 5.968 728 HB3 GLU 85 HB1 GLU 85 -6.029 -10.902 4.570 729 HG2 GLU 85 HG2 GLU 85 -7.815 -11.090 6.241 730 HG3 GLU 85 HG1 GLU 85 -6.997 -12.624 5.979 731 H VAL 86 HN VAL 86 -3.418 -9.186 5.794 732 HA VAL 86 HA VAL 86 -2.341 -9.336 3.091 733 HB VAL 86 HB VAL 86 -2.006 -6.902 3.262 734 HG11 VAL 86 HG11 VAL 86 -4.155 -7.714 2.471 735 HG12 VAL 86 HG12 VAL 86 -4.359 -6.225 3.395 736 HG13 VAL 86 HG13 VAL 86 -4.756 -7.780 4.128 737 HG21 VAL 86 HG21 VAL 86 -1.482 -6.747 5.634 738 HG22 VAL 86 HG22 VAL 86 -3.134 -7.208 6.041 739 HG23 VAL 86 HG23 VAL 86 -2.823 -5.672 5.227 740 H TYR 87 HN TYR 87 -1.260 -10.110 6.041 741 HA TYR 87 HA TYR 87 1.349 -8.816 5.841 742 HB2 TYR 87 HB2 TYR 87 0.199 -10.510 8.059 743 HB3 TYR 87 HB1 TYR 87 1.780 -9.764 8.091 744 HD1 TYR 87 HD1 TYR 87 -1.844 -9.100 8.251 745 HD2 TYR 87 HD2 TYR 87 2.047 -7.400 8.477 746 HE1 TYR 87 HE1 TYR 87 -2.801 -7.052 9.206 747 HE2 TYR 87 HE2 TYR 87 1.092 -5.348 9.431 748 HH TYR 87 HH TYR 87 -1.083 -4.165 9.433 749 H SER 88 HN SER 88 -0.071 -12.082 5.864 750 HA SER 88 HA SER 88 2.342 -13.492 5.745 751 HB2 SER 88 HB2 SER 88 0.873 -15.282 4.713 752 HB3 SER 88 HB1 SER 88 0.338 -14.666 6.279 753 HG SER 88 HG SER 88 -0.746 -14.259 3.704 754 H GLU 89 HN GLU 89 0.231 -12.157 3.353 755 HA GLU 89 HA GLU 89 1.473 -13.169 1.055 756 HB2 GLU 89 HB2 GLU 89 -0.036 -10.573 1.269 757 HB3 GLU 89 HB1 GLU 89 0.137 -11.593 -0.148 758 HG2 GLU 89 HG2 GLU 89 -1.477 -12.146 2.336 759 HG3 GLU 89 HG1 GLU 89 -2.072 -11.867 0.704 760 H ALA 90 HN ALA 90 2.002 -10.369 3.042 761 HA ALA 90 HA ALA 90 3.756 -9.046 1.232 762 HB1 ALA 90 HB1 ALA 90 3.343 -8.575 4.179 763 HB2 ALA 90 HB2 ALA 90 2.418 -7.814 2.883 764 HB3 ALA 90 HB3 ALA 90 4.143 -7.482 3.049 765 H VAL 91 HN VAL 91 4.241 -11.025 4.157 766 HA VAL 91 HA VAL 91 7.066 -10.683 4.050 767 HB VAL 91 HB VAL 91 5.871 -11.269 6.158 768 HG11 VAL 91 HG11 VAL 91 4.298 -12.879 5.330 769 HG12 VAL 91 HG12 VAL 91 5.236 -13.555 6.661 770 HG13 VAL 91 HG13 VAL 91 5.600 -14.021 4.996 771 HG21 VAL 91 HG21 VAL 91 8.268 -11.569 6.077 772 HG22 VAL 91 HG22 VAL 91 8.074 -13.176 5.385 773 HG23 VAL 91 HG23 VAL 91 7.543 -12.860 7.038 774 H LYS 92 HN LYS 92 4.894 -12.958 2.608 775 HA LYS 92 HA LYS 92 6.918 -14.756 1.769 776 HB2 LYS 92 HB2 LYS 92 4.040 -14.476 0.936 777 HB3 LYS 92 HB1 LYS 92 5.110 -15.704 0.267 778 HG2 LYS 92 HG2 LYS 92 4.492 -15.387 3.200 779 HG3 LYS 92 HG1 LYS 92 3.697 -16.538 2.126 780 HD2 LYS 92 HD2 LYS 92 5.812 -17.652 1.703 781 HD3 LYS 92 HD1 LYS 92 6.679 -16.456 2.642 782 HE2 LYS 92 HE2 LYS 92 4.578 -18.317 3.736 783 HE3 LYS 92 HE1 LYS 92 6.317 -18.556 3.872 784 HZ1 LYS 92 HZ1 LYS 92 6.391 -16.389 5.082 785 HZ2 LYS 92 HZ2 LYS 92 5.579 -17.618 5.862 786 HZ3 LYS 92 HZ3 LYS 92 4.688 -16.407 5.115 787 H ARG 93 HN ARG 93 6.166 -11.719 0.699 788 HA ARG 93 HA ARG 93 6.854 -12.036 -2.053 789 HB2 ARG 93 HB2 ARG 93 7.193 -9.567 -0.327 790 HB3 ARG 93 HB1 ARG 93 7.179 -9.619 -2.080 791 HG2 ARG 93 HG2 ARG 93 4.857 -10.314 -0.298 792 HG3 ARG 93 HG1 ARG 93 5.077 -8.781 -1.135 793 HD2 ARG 93 HD2 ARG 93 4.856 -11.460 -2.514 794 HD3 ARG 93 HD1 ARG 93 3.503 -10.366 -2.249 795 HE ARG 93 HE ARG 93 5.816 -9.293 -3.617 796 HH11 ARG 93 HH11 ARG 93 2.583 -10.717 -4.008 797 HH12 ARG 93 HH12 ARG 93 2.323 -9.904 -5.495 798 HH21 ARG 93 HH21 ARG 93 5.392 -8.274 -5.645 799 HH22 ARG 93 HH22 ARG 93 3.853 -8.536 -6.387 800 H ILE 94 HN ILE 94 8.589 -11.951 0.916 801 HA ILE 94 HA ILE 94 11.126 -11.644 -0.453 802 HB ILE 94 HB ILE 94 10.596 -11.955 2.549 803 HG12 ILE 94 HG12 ILE 94 11.465 -9.547 2.660 804 HG13 ILE 94 HG11 ILE 94 11.236 -9.481 0.921 805 HG21 ILE 94 HG21 ILE 94 12.942 -11.332 2.885 806 HG22 ILE 94 HG22 ILE 94 13.178 -11.296 1.140 807 HG23 ILE 94 HG23 ILE 94 12.789 -12.817 1.941 808 HD11 ILE 94 HD11 ILE 94 9.397 -8.428 2.101 809 HD12 ILE 94 HD12 ILE 94 9.083 -9.924 2.984 810 HD13 ILE 94 HD13 ILE 94 8.838 -9.862 1.241 811 H LEU 95 HN LEU 95 10.696 -13.527 -1.622 812 HA LEU 95 HA LEU 95 11.939 -15.846 -0.704 813 HB2 LEU 95 HB2 LEU 95 9.750 -16.150 0.482 814 HB3 LEU 95 HB1 LEU 95 8.927 -16.037 -1.056 815 HG LEU 95 HG LEU 95 10.038 -18.120 -1.793 816 HD11 LEU 95 HD11 LEU 95 11.123 -18.190 1.018 817 HD12 LEU 95 HD12 LEU 95 12.064 -17.992 -0.461 818 HD13 LEU 95 HD13 LEU 95 11.217 -19.506 -0.153 819 HD21 LEU 95 HD21 LEU 95 7.826 -18.226 -0.770 820 HD22 LEU 95 HD22 LEU 95 8.557 -18.337 0.830 821 HD23 LEU 95 HD23 LEU 95 8.782 -19.641 -0.332
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