NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
640406 | 6k5t | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 TYR 21 HN TYR 21 13.832 -7.508 0.186 2 HA TYR 21 HA TYR 21 12.214 -5.573 -1.157 3 HB2 TYR 21 HB2 TYR 21 12.042 -8.457 -1.914 4 HB3 TYR 21 HB1 TYR 21 10.552 -7.529 -1.816 5 HD1 TYR 21 HD1 TYR 21 9.993 -5.899 -3.471 6 HD2 TYR 21 HD2 TYR 21 13.774 -7.850 -3.573 7 HE1 TYR 21 HE1 TYR 21 10.354 -5.065 -5.753 8 HE2 TYR 21 HE2 TYR 21 14.144 -7.017 -5.855 9 HH TYR 21 HH TYR 21 12.054 -4.665 -7.328 10 H ILE 22 HN ILE 22 10.358 -5.130 -0.062 11 HA ILE 22 HA ILE 22 9.961 -6.587 2.471 12 HB ILE 22 HB ILE 22 8.865 -3.858 1.783 13 HG12 ILE 22 HG12 ILE 22 11.320 -3.769 1.638 14 HG13 ILE 22 HG11 ILE 22 10.727 -2.875 3.032 15 HG21 ILE 22 HG21 ILE 22 9.256 -5.315 4.392 16 HG22 ILE 22 HG22 ILE 22 7.725 -4.929 3.603 17 HG23 ILE 22 HG23 ILE 22 8.735 -3.636 4.247 18 HD11 ILE 22 HD11 ILE 22 12.016 -5.590 3.033 19 HD12 ILE 22 HD12 ILE 22 11.291 -4.828 4.449 20 HD13 ILE 22 HD13 ILE 22 12.682 -4.085 3.662 21 H LYS 23 HN LYS 23 8.355 -8.049 2.315 22 HA LYS 23 HA LYS 23 6.194 -7.572 0.400 23 HB2 LYS 23 HB2 LYS 23 7.373 -9.782 0.468 24 HB3 LYS 23 HB1 LYS 23 6.703 -10.036 2.071 25 HG2 LYS 23 HG2 LYS 23 4.519 -10.212 1.258 26 HG3 LYS 23 HG1 LYS 23 4.944 -9.495 -0.298 27 HD2 LYS 23 HD2 LYS 23 5.017 -11.619 -1.020 28 HD3 LYS 23 HD1 LYS 23 6.592 -11.661 -0.230 29 HE2 LYS 23 HE2 LYS 23 4.008 -12.419 1.117 30 HE3 LYS 23 HE1 LYS 23 5.080 -13.575 0.331 31 HZ1 LYS 23 HZ1 LYS 23 5.341 -12.244 2.887 32 HZ2 LYS 23 HZ2 LYS 23 6.764 -12.281 1.965 33 HZ3 LYS 23 HZ3 LYS 23 5.979 -13.725 2.361 34 H LEU 24 HN LEU 24 4.531 -6.465 1.085 35 HA LEU 24 HA LEU 24 3.779 -6.529 3.906 36 HB2 LEU 24 HB2 LEU 24 2.649 -4.854 1.660 37 HB3 LEU 24 HB1 LEU 24 2.357 -4.636 3.375 38 HG LEU 24 HG LEU 24 5.096 -4.369 2.145 39 HD11 LEU 24 HD11 LEU 24 3.035 -2.234 2.660 40 HD12 LEU 24 HD12 LEU 24 3.679 -2.731 1.094 41 HD13 LEU 24 HD13 LEU 24 4.728 -1.934 2.268 42 HD21 LEU 24 HD21 LEU 24 5.593 -3.153 4.200 43 HD22 LEU 24 HD22 LEU 24 5.036 -4.790 4.551 44 HD23 LEU 24 HD23 LEU 24 3.943 -3.421 4.767 45 H LYS 25 HN LYS 25 1.605 -6.942 4.559 46 HA LYS 25 HA LYS 25 0.300 -8.925 2.848 47 HB2 LYS 25 HB2 LYS 25 0.038 -8.281 5.784 48 HB3 LYS 25 HB1 LYS 25 -1.015 -9.414 4.952 49 HG2 LYS 25 HG2 LYS 25 1.553 -10.232 4.287 50 HG3 LYS 25 HG1 LYS 25 1.647 -9.789 5.992 51 HD2 LYS 25 HD2 LYS 25 1.064 -12.097 5.878 52 HD3 LYS 25 HD1 LYS 25 -0.377 -11.213 6.384 53 HE2 LYS 25 HE2 LYS 25 -1.234 -11.286 4.101 54 HE3 LYS 25 HE1 LYS 25 0.221 -12.125 3.569 55 HZ1 LYS 25 HZ1 LYS 25 -1.740 -13.171 5.538 56 HZ2 LYS 25 HZ2 LYS 25 -0.365 -13.981 4.981 57 HZ3 LYS 25 HZ3 LYS 25 -1.636 -13.640 3.913 58 H VAL 26 HN VAL 26 -1.089 -8.024 1.488 59 HA VAL 26 HA VAL 26 -2.834 -5.872 2.460 60 HB VAL 26 HB VAL 26 -2.317 -6.753 -0.390 61 HG11 VAL 26 HG11 VAL 26 -4.521 -5.701 -0.014 62 HG12 VAL 26 HG12 VAL 26 -3.470 -4.746 -1.056 63 HG13 VAL 26 HG13 VAL 26 -3.702 -4.279 0.626 64 HG21 VAL 26 HG21 VAL 26 -1.219 -4.406 1.147 65 HG22 VAL 26 HG22 VAL 26 -1.025 -4.664 -0.587 66 HG23 VAL 26 HG23 VAL 26 -0.312 -5.800 0.559 67 H ILE 27 HN ILE 27 -4.200 -7.299 3.623 68 HA ILE 27 HA ILE 27 -5.657 -9.321 2.110 69 HB ILE 27 HB ILE 27 -5.909 -8.573 5.030 70 HG12 ILE 27 HG12 ILE 27 -3.676 -9.432 4.562 71 HG13 ILE 27 HG11 ILE 27 -4.603 -10.622 5.468 72 HG21 ILE 27 HG21 ILE 27 -7.044 -10.740 5.254 73 HG22 ILE 27 HG22 ILE 27 -6.939 -10.960 3.506 74 HG23 ILE 27 HG23 ILE 27 -7.907 -9.645 4.171 75 HD11 ILE 27 HD11 ILE 27 -3.928 -10.660 2.541 76 HD12 ILE 27 HD12 ILE 27 -5.082 -11.761 3.293 77 HD13 ILE 27 HD13 ILE 27 -3.392 -11.780 3.798 78 H GLY 28 HN GLY 28 -7.395 -8.727 1.022 79 HA2 GLY 28 HA2 GLY 28 -8.714 -6.226 1.497 80 HA3 GLY 28 HA1 GLY 28 -9.185 -7.445 0.322 81 H GLN 29 HN GLN 29 -10.995 -5.981 1.844 82 HA GLN 29 HA GLN 29 -11.939 -7.221 4.166 83 HB2 GLN 29 HB2 GLN 29 -12.635 -4.984 3.281 84 HB3 GLN 29 HB1 GLN 29 -13.571 -5.810 2.045 85 HG2 GLN 29 HG2 GLN 29 -15.060 -5.143 3.763 86 HG3 GLN 29 HG1 GLN 29 -14.881 -6.895 3.863 87 HE21 GLN 29 HE21 GLN 29 -13.827 -7.792 5.616 88 HE22 GLN 29 HE22 GLN 29 -13.453 -6.890 7.040 89 H ASP 30 HN ASP 30 -12.157 -8.111 0.853 90 HA ASP 30 HA ASP 30 -14.341 -9.984 1.211 91 HB2 ASP 30 HB2 ASP 30 -14.110 -10.386 -1.169 92 HB3 ASP 30 HB1 ASP 30 -14.098 -8.652 -0.869 93 H SER 31 HN SER 31 -11.393 -10.140 2.301 94 HA SER 31 HA SER 31 -9.988 -11.784 2.950 95 HB2 SER 31 HB2 SER 31 -12.027 -13.756 1.900 96 HB3 SER 31 HB1 SER 31 -10.800 -14.034 3.138 97 HG SER 31 HG SER 31 -13.283 -13.122 3.447 98 H SER 32 HN SER 32 -9.048 -10.695 0.889 99 HA SER 32 HA SER 32 -8.307 -12.800 -1.058 100 HB2 SER 32 HB2 SER 32 -7.589 -10.649 -2.386 101 HB3 SER 32 HB1 SER 32 -9.292 -11.109 -2.340 102 HG SER 32 HG SER 32 -9.737 -9.372 -1.212 103 H GLU 33 HN GLU 33 -6.123 -13.245 -1.286 104 HA GLU 33 HA GLU 33 -4.358 -11.900 0.628 105 HB2 GLU 33 HB2 GLU 33 -4.185 -14.563 -0.766 106 HB3 GLU 33 HB1 GLU 33 -2.820 -13.869 0.099 107 HG2 GLU 33 HG2 GLU 33 -5.035 -13.723 1.831 108 HG3 GLU 33 HG1 GLU 33 -5.048 -15.332 1.116 109 H ILE 34 HN ILE 34 -3.617 -10.119 -0.337 110 HA ILE 34 HA ILE 34 -2.382 -10.397 -2.992 111 HB ILE 34 HB ILE 34 -3.212 -7.846 -1.596 112 HG12 ILE 34 HG12 ILE 34 -5.171 -9.217 -2.177 113 HG13 ILE 34 HG11 ILE 34 -5.088 -7.767 -3.170 114 HG21 ILE 34 HG21 ILE 34 -2.345 -8.329 -4.441 115 HG22 ILE 34 HG22 ILE 34 -1.376 -7.558 -3.186 116 HG23 ILE 34 HG23 ILE 34 -2.853 -6.783 -3.760 117 HD11 ILE 34 HD11 ILE 34 -4.302 -10.549 -4.003 118 HD12 ILE 34 HD12 ILE 34 -4.145 -9.107 -5.004 119 HD13 ILE 34 HD13 ILE 34 -5.742 -9.665 -4.505 120 H HIS 35 HN HIS 35 -0.260 -10.427 -3.079 121 HA HIS 35 HA HIS 35 1.295 -9.602 -0.736 122 HB2 HIS 35 HB2 HIS 35 2.009 -11.298 -3.135 123 HB3 HIS 35 HB1 HIS 35 3.163 -10.827 -1.894 124 HD2 HIS 35 HD2 HIS 35 1.463 -11.534 0.765 125 HE1 HIS 35 HE1 HIS 35 1.151 -15.374 -0.991 126 HE2 HIS 35 HE2 HIS 35 0.977 -14.052 1.167 127 H PHE 36 HN PHE 36 1.760 -7.476 -0.868 128 HA PHE 36 HA PHE 36 2.700 -6.435 -3.447 129 HB2 PHE 36 HB2 PHE 36 0.832 -5.343 -1.873 130 HB3 PHE 36 HB1 PHE 36 2.250 -4.618 -1.123 131 HD1 PHE 36 HD1 PHE 36 3.942 -4.285 -3.573 132 HD2 PHE 36 HD2 PHE 36 -0.179 -3.491 -2.865 133 HE1 PHE 36 HE1 PHE 36 3.978 -2.571 -5.327 134 HE2 PHE 36 HE2 PHE 36 -0.155 -1.771 -4.626 135 HZ PHE 36 HZ PHE 36 1.925 -1.310 -5.865 136 H LYS 37 HN LYS 37 4.825 -6.635 -3.670 137 HA LYS 37 HA LYS 37 6.509 -6.363 -1.294 138 HB2 LYS 37 HB2 LYS 37 8.321 -7.300 -2.772 139 HB3 LYS 37 HB1 LYS 37 6.990 -8.388 -2.418 140 HG2 LYS 37 HG2 LYS 37 6.016 -7.702 -4.656 141 HG3 LYS 37 HG1 LYS 37 7.580 -6.952 -4.985 142 HD2 LYS 37 HD2 LYS 37 7.210 -9.846 -4.213 143 HD3 LYS 37 HD1 LYS 37 7.356 -9.270 -5.874 144 HE2 LYS 37 HE2 LYS 37 9.575 -8.510 -5.506 145 HE3 LYS 37 HE1 LYS 37 9.431 -8.738 -3.765 146 HZ1 LYS 37 HZ1 LYS 37 9.249 -10.972 -5.698 147 HZ2 LYS 37 HZ2 LYS 37 9.446 -11.063 -4.020 148 HZ3 LYS 37 HZ3 LYS 37 10.704 -10.484 -4.990 149 H VAL 38 HN VAL 38 7.478 -4.567 -0.907 150 HA VAL 38 HA VAL 38 8.002 -2.687 -3.117 151 HB VAL 38 HB VAL 38 7.750 -0.864 -1.512 152 HG11 VAL 38 HG11 VAL 38 5.766 -1.559 -2.707 153 HG12 VAL 38 HG12 VAL 38 5.331 -1.075 -1.068 154 HG13 VAL 38 HG13 VAL 38 5.429 -2.787 -1.487 155 HG21 VAL 38 HG21 VAL 38 8.518 -2.005 0.502 156 HG22 VAL 38 HG22 VAL 38 7.077 -3.018 0.493 157 HG23 VAL 38 HG23 VAL 38 6.931 -1.284 0.768 158 H LYS 39 HN LYS 39 9.663 -0.944 -2.113 159 HA LYS 39 HA LYS 39 11.918 -2.467 -0.993 160 HB2 LYS 39 HB2 LYS 39 11.859 -0.504 -3.261 161 HB3 LYS 39 HB1 LYS 39 13.313 -0.734 -2.321 162 HG2 LYS 39 HG2 LYS 39 13.347 -3.097 -2.940 163 HG3 LYS 39 HG1 LYS 39 11.878 -2.854 -3.897 164 HD2 LYS 39 HD2 LYS 39 13.001 -1.299 -5.336 165 HD3 LYS 39 HD1 LYS 39 14.442 -1.335 -4.323 166 HE2 LYS 39 HE2 LYS 39 14.909 -3.589 -4.947 167 HE3 LYS 39 HE1 LYS 39 13.350 -3.742 -5.759 168 HZ1 LYS 39 HZ1 LYS 39 15.645 -2.061 -6.586 169 HZ2 LYS 39 HZ2 LYS 39 14.104 -1.927 -7.274 170 HZ3 LYS 39 HZ3 LYS 39 14.978 -3.371 -7.419 171 H MET 40 HN MET 40 13.684 -0.607 -0.404 172 HA MET 40 HA MET 40 12.318 1.005 1.593 173 HB2 MET 40 HB2 MET 40 14.355 -0.442 2.071 174 HB3 MET 40 HB1 MET 40 15.293 0.749 1.180 175 HG2 MET 40 HG2 MET 40 15.357 1.031 3.641 176 HG3 MET 40 HG1 MET 40 14.793 2.449 2.764 177 HE1 MET 40 HE1 MET 40 12.657 -0.822 3.494 178 HE2 MET 40 HE2 MET 40 12.018 -0.422 5.089 179 HE3 MET 40 HE3 MET 40 13.750 -0.667 4.870 180 H THR 41 HN THR 41 14.050 1.406 -1.400 181 HA THR 41 HA THR 41 14.515 4.225 -1.084 182 HB THR 41 HB THR 41 15.939 2.701 -2.506 183 HG1 THR 41 HG1 THR 41 15.677 4.411 -4.391 184 HG21 THR 41 HG21 THR 41 14.348 1.391 -3.698 185 HG22 THR 41 HG22 THR 41 15.115 2.436 -4.893 186 HG23 THR 41 HG23 THR 41 13.491 2.823 -4.296 187 H THR 42 HN THR 42 11.984 2.250 -2.328 188 HA THR 42 HA THR 42 10.817 4.016 -4.155 189 HB THR 42 HB THR 42 8.780 2.665 -3.833 190 HG1 THR 42 HG1 THR 42 9.411 2.341 -1.476 191 HG21 THR 42 HG21 THR 42 11.325 1.774 -4.743 192 HG22 THR 42 HG22 THR 42 9.722 1.253 -5.269 193 HG23 THR 42 HG23 THR 42 10.518 0.419 -3.943 194 H HIS 43 HN HIS 43 9.130 5.476 -3.983 195 HA HIS 43 HA HIS 43 8.715 6.635 -1.337 196 HB2 HIS 43 HB2 HIS 43 7.772 7.514 -4.083 197 HB3 HIS 43 HB1 HIS 43 7.502 8.413 -2.600 198 HD2 HIS 43 HD2 HIS 43 11.046 7.423 -2.216 199 HE1 HIS 43 HE1 HIS 43 11.152 10.825 -4.683 200 HE2 HIS 43 HE2 HIS 43 12.436 9.425 -3.013 201 H LEU 44 HN LEU 44 6.623 6.765 -0.364 202 HA LEU 44 HA LEU 44 4.875 4.614 -1.099 203 HB2 LEU 44 HB2 LEU 44 4.790 6.712 1.038 204 HB3 LEU 44 HB1 LEU 44 3.372 5.735 0.706 205 HG LEU 44 HG LEU 44 6.075 4.725 1.601 206 HD11 LEU 44 HD11 LEU 44 4.835 5.740 3.397 207 HD12 LEU 44 HD12 LEU 44 4.816 3.988 3.588 208 HD13 LEU 44 HD13 LEU 44 3.390 4.820 2.966 209 HD21 LEU 44 HD21 LEU 44 4.784 2.533 1.789 210 HD22 LEU 44 HD22 LEU 44 5.261 3.051 0.173 211 HD23 LEU 44 HD23 LEU 44 3.598 3.279 0.712 212 H LYS 45 HN LYS 45 5.304 7.730 -2.135 213 HA LYS 45 HA LYS 45 2.728 8.650 -2.698 214 HB2 LYS 45 HB2 LYS 45 4.659 10.099 -2.885 215 HB3 LYS 45 HB1 LYS 45 5.351 9.084 -4.139 216 HG2 LYS 45 HG2 LYS 45 4.460 11.027 -5.176 217 HG3 LYS 45 HG1 LYS 45 3.408 9.668 -5.588 218 HD2 LYS 45 HD2 LYS 45 1.950 10.381 -3.653 219 HD3 LYS 45 HD1 LYS 45 2.922 11.851 -3.574 220 HE2 LYS 45 HE2 LYS 45 2.333 12.347 -5.906 221 HE3 LYS 45 HE1 LYS 45 1.331 10.898 -5.953 222 HZ1 LYS 45 HZ1 LYS 45 0.918 13.331 -4.313 223 HZ2 LYS 45 HZ2 LYS 45 0.064 11.889 -4.051 224 HZ3 LYS 45 HZ3 LYS 45 -0.091 12.712 -5.521 225 H LYS 46 HN LYS 46 4.992 6.814 -4.754 226 HA LYS 46 HA LYS 46 3.079 6.504 -6.849 227 HB2 LYS 46 HB2 LYS 46 5.574 6.495 -7.173 228 HB3 LYS 46 HB1 LYS 46 5.599 4.891 -6.446 229 HG2 LYS 46 HG2 LYS 46 4.356 3.960 -8.215 230 HG3 LYS 46 HG1 LYS 46 3.916 5.549 -8.842 231 HD2 LYS 46 HD2 LYS 46 6.548 5.787 -9.027 232 HD3 LYS 46 HD1 LYS 46 6.452 4.025 -9.110 233 HE2 LYS 46 HE2 LYS 46 6.379 4.897 -11.342 234 HE3 LYS 46 HE1 LYS 46 4.788 4.263 -10.938 235 HZ1 LYS 46 HZ1 LYS 46 3.968 6.457 -10.577 236 HZ2 LYS 46 HZ2 LYS 46 4.753 6.448 -12.076 237 HZ3 LYS 46 HZ3 LYS 46 5.516 7.129 -10.732 238 H LEU 47 HN LEU 47 3.864 4.775 -3.981 239 HA LEU 47 HA LEU 47 2.920 2.217 -4.641 240 HB2 LEU 47 HB2 LEU 47 3.673 3.664 -2.255 241 HB3 LEU 47 HB1 LEU 47 2.277 2.650 -1.950 242 HG LEU 47 HG LEU 47 4.236 1.419 -1.365 243 HD11 LEU 47 HD11 LEU 47 3.443 0.328 -4.047 244 HD12 LEU 47 HD12 LEU 47 2.352 0.306 -2.661 245 HD13 LEU 47 HD13 LEU 47 3.891 -0.549 -2.585 246 HD21 LEU 47 HD21 LEU 47 5.241 1.991 -4.146 247 HD22 LEU 47 HD22 LEU 47 6.022 0.939 -2.965 248 HD23 LEU 47 HD23 LEU 47 5.875 2.668 -2.647 249 H LYS 48 HN LYS 48 1.284 5.096 -3.472 250 HA LYS 48 HA LYS 48 -1.218 3.884 -2.987 251 HB2 LYS 48 HB2 LYS 48 -0.521 6.765 -3.539 252 HB3 LYS 48 HB1 LYS 48 -2.086 6.205 -2.962 253 HG2 LYS 48 HG2 LYS 48 -0.961 5.282 -0.954 254 HG3 LYS 48 HG1 LYS 48 0.551 5.993 -1.523 255 HD2 LYS 48 HD2 LYS 48 -0.385 7.496 0.071 256 HD3 LYS 48 HD1 LYS 48 -0.604 8.218 -1.524 257 HE2 LYS 48 HE2 LYS 48 -2.914 7.480 -1.569 258 HE3 LYS 48 HE1 LYS 48 -2.708 6.664 -0.021 259 HZ1 LYS 48 HZ1 LYS 48 -3.790 8.904 0.057 260 HZ2 LYS 48 HZ2 LYS 48 -2.297 9.583 -0.370 261 HZ3 LYS 48 HZ3 LYS 48 -2.456 8.715 1.079 262 H GLU 49 HN GLU 49 -0.015 5.758 -5.786 263 HA GLU 49 HA GLU 49 -2.458 5.545 -7.210 264 HB2 GLU 49 HB2 GLU 49 -1.190 6.294 -9.185 265 HB3 GLU 49 HB1 GLU 49 -0.906 7.307 -7.781 266 HG2 GLU 49 HG2 GLU 49 1.245 6.396 -7.448 267 HG3 GLU 49 HG1 GLU 49 0.952 5.103 -8.611 268 H SER 50 HN SER 50 0.404 3.515 -7.070 269 HA SER 50 HA SER 50 -0.132 1.906 -9.303 270 HB2 SER 50 HB2 SER 50 1.291 1.197 -6.725 271 HB3 SER 50 HB1 SER 50 1.323 0.221 -8.196 272 HG SER 50 HG SER 50 2.355 2.833 -7.799 273 H TYR 51 HN TYR 51 -1.237 1.692 -5.950 274 HA TYR 51 HA TYR 51 -2.538 -0.811 -6.252 275 HB2 TYR 51 HB2 TYR 51 -1.898 0.288 -4.057 276 HB3 TYR 51 HB1 TYR 51 -3.295 1.341 -4.272 277 HD1 TYR 51 HD1 TYR 51 -2.389 -2.275 -4.192 278 HD2 TYR 51 HD2 TYR 51 -5.350 0.676 -3.400 279 HE1 TYR 51 HE1 TYR 51 -3.828 -3.999 -3.183 280 HE2 TYR 51 HE2 TYR 51 -6.791 -1.038 -2.387 281 HH TYR 51 HH TYR 51 -7.115 -3.432 -2.441 282 H CYS 52 HN CYS 52 -3.533 2.533 -6.677 283 HA CYS 52 HA CYS 52 -6.289 2.071 -7.049 284 HB2 CYS 52 HB2 CYS 52 -4.401 4.279 -7.771 285 HB3 CYS 52 HB1 CYS 52 -6.016 4.274 -8.473 286 HG CYS 52 HG CYS 52 -7.307 5.122 -6.413 287 H GLN 53 HN GLN 53 -3.564 2.200 -9.291 288 HA GLN 53 HA GLN 53 -5.067 1.839 -11.658 289 HB2 GLN 53 HB2 GLN 53 -2.168 1.298 -11.003 290 HB3 GLN 53 HB1 GLN 53 -2.839 1.136 -12.619 291 HG2 GLN 53 HG2 GLN 53 -3.230 3.428 -12.819 292 HG3 GLN 53 HG1 GLN 53 -3.095 3.694 -11.082 293 HE21 GLN 53 HE21 GLN 53 -1.706 4.994 -13.297 294 HE22 GLN 53 HE22 GLN 53 -0.017 4.773 -12.998 295 H ARG 54 HN ARG 54 -3.640 -0.379 -9.351 296 HA ARG 54 HA ARG 54 -3.935 -2.748 -10.865 297 HB2 ARG 54 HB2 ARG 54 -2.490 -2.442 -8.831 298 HB3 ARG 54 HB1 ARG 54 -3.949 -2.504 -7.857 299 HG2 ARG 54 HG2 ARG 54 -2.928 -4.654 -7.808 300 HG3 ARG 54 HG1 ARG 54 -4.395 -4.772 -8.781 301 HD2 ARG 54 HD2 ARG 54 -3.134 -4.754 -10.811 302 HD3 ARG 54 HD1 ARG 54 -1.645 -4.369 -9.946 303 HE ARG 54 HE ARG 54 -2.474 -6.730 -8.860 304 HH11 ARG 54 HH11 ARG 54 -1.779 -5.642 -12.117 305 HH12 ARG 54 HH12 ARG 54 -1.285 -7.213 -12.666 306 HH21 ARG 54 HH21 ARG 54 -1.806 -8.790 -9.589 307 HH22 ARG 54 HH22 ARG 54 -1.287 -8.994 -11.232 308 H GLN 55 HN GLN 55 -6.065 -1.063 -8.612 309 HA GLN 55 HA GLN 55 -8.090 -3.138 -8.784 310 HB2 GLN 55 HB2 GLN 55 -8.103 -0.442 -7.411 311 HB3 GLN 55 HB1 GLN 55 -9.404 -1.618 -7.311 312 HG2 GLN 55 HG2 GLN 55 -6.583 -2.048 -6.360 313 HG3 GLN 55 HG1 GLN 55 -7.963 -1.651 -5.337 314 HE21 GLN 55 HE21 GLN 55 -9.612 -3.206 -5.071 315 HE22 GLN 55 HE22 GLN 55 -9.307 -4.885 -5.350 316 H GLY 56 HN GLY 56 -7.209 -0.364 -10.512 317 HA2 GLY 56 HA2 GLY 56 -8.151 0.524 -12.433 318 HA3 GLY 56 HA1 GLY 56 -9.481 -0.612 -12.262 319 H VAL 57 HN VAL 57 -8.296 1.831 -9.989 320 HA VAL 57 HA VAL 57 -10.836 3.280 -10.284 321 HB VAL 57 HB VAL 57 -10.794 3.680 -7.793 322 HG11 VAL 57 HG11 VAL 57 -11.827 1.542 -7.225 323 HG12 VAL 57 HG12 VAL 57 -11.145 0.822 -8.684 324 HG13 VAL 57 HG13 VAL 57 -12.353 2.102 -8.813 325 HG21 VAL 57 HG21 VAL 57 -8.746 1.472 -7.895 326 HG22 VAL 57 HG22 VAL 57 -9.583 1.984 -6.430 327 HG23 VAL 57 HG23 VAL 57 -8.521 3.107 -7.279 328 HA PRO 58 HA PRO 58 -8.415 6.980 -10.453 329 HB2 PRO 58 HB2 PRO 58 -9.927 8.673 -8.891 330 HB3 PRO 58 HB1 PRO 58 -10.296 8.285 -10.575 331 HG2 PRO 58 HG2 PRO 58 -11.475 7.144 -8.087 332 HG3 PRO 58 HG1 PRO 58 -12.268 7.575 -9.615 333 HD2 PRO 58 HD2 PRO 58 -11.703 5.029 -9.011 334 HD3 PRO 58 HD1 PRO 58 -11.588 5.636 -10.673 335 H MET 59 HN MET 59 -7.126 8.444 -9.123 336 HA MET 59 HA MET 59 -6.091 7.104 -6.814 337 HB2 MET 59 HB2 MET 59 -4.788 8.513 -8.528 338 HB3 MET 59 HB1 MET 59 -5.388 9.909 -7.640 339 HG2 MET 59 HG2 MET 59 -4.355 8.987 -5.586 340 HG3 MET 59 HG1 MET 59 -3.669 7.690 -6.561 341 HE1 MET 59 HE1 MET 59 -1.658 9.414 -4.794 342 HE2 MET 59 HE2 MET 59 -0.403 9.585 -6.020 343 HE3 MET 59 HE3 MET 59 -1.303 8.074 -5.882 344 H ASN 60 HN ASN 60 -6.056 7.795 -4.697 345 HA ASN 60 HA ASN 60 -6.715 8.775 -2.772 346 HB2 ASN 60 HB2 ASN 60 -6.435 10.928 -4.238 347 HB3 ASN 60 HB1 ASN 60 -8.196 10.960 -4.177 348 HD21 ASN 60 HD21 ASN 60 -8.422 12.729 -2.906 349 HD22 ASN 60 HD22 ASN 60 -7.893 12.814 -1.261 350 H SER 61 HN SER 61 -8.482 7.028 -4.558 351 HA SER 61 HA SER 61 -11.126 7.705 -3.529 352 HB2 SER 61 HB2 SER 61 -11.834 5.687 -4.862 353 HB3 SER 61 HB1 SER 61 -11.078 6.959 -5.820 354 HG SER 61 HG SER 61 -9.529 5.636 -6.314 355 H LEU 62 HN LEU 62 -8.439 5.792 -2.771 356 HA LEU 62 HA LEU 62 -9.979 4.301 -0.750 357 HB2 LEU 62 HB2 LEU 62 -7.436 3.413 -2.121 358 HB3 LEU 62 HB1 LEU 62 -8.357 2.498 -0.945 359 HG LEU 62 HG LEU 62 -9.572 3.309 -3.571 360 HD11 LEU 62 HD11 LEU 62 -8.943 1.068 -4.405 361 HD12 LEU 62 HD12 LEU 62 -7.915 0.863 -2.988 362 HD13 LEU 62 HD13 LEU 62 -7.558 2.133 -4.158 363 HD21 LEU 62 HD21 LEU 62 -10.129 1.119 -1.576 364 HD22 LEU 62 HD22 LEU 62 -10.936 1.285 -3.136 365 HD23 LEU 62 HD23 LEU 62 -11.125 2.536 -1.909 366 H ARG 63 HN ARG 63 -9.071 4.167 1.309 367 HA ARG 63 HA ARG 63 -6.696 5.854 1.725 368 HB2 ARG 63 HB2 ARG 63 -7.581 6.448 3.940 369 HB3 ARG 63 HB1 ARG 63 -8.651 6.963 2.646 370 HG2 ARG 63 HG2 ARG 63 -10.133 5.089 3.101 371 HG3 ARG 63 HG1 ARG 63 -9.038 4.517 4.365 372 HD2 ARG 63 HD2 ARG 63 -9.373 6.643 5.571 373 HD3 ARG 63 HD1 ARG 63 -10.515 7.150 4.330 374 HE ARG 63 HE ARG 63 -10.926 4.932 6.228 375 HH11 ARG 63 HH11 ARG 63 -12.196 7.359 4.028 376 HH12 ARG 63 HH12 ARG 63 -13.853 7.045 4.458 377 HH21 ARG 63 HH21 ARG 63 -14.366 5.443 6.016 378 HH22 ARG 63 HH22 ARG 63 -13.104 4.532 6.779 379 H PHE 64 HN PHE 64 -5.017 4.966 2.679 380 HA PHE 64 HA PHE 64 -5.211 2.188 3.541 381 HB2 PHE 64 HB2 PHE 64 -2.783 3.966 3.202 382 HB3 PHE 64 HB1 PHE 64 -2.756 2.237 3.531 383 HD1 PHE 64 HD1 PHE 64 -3.177 4.807 1.014 384 HD2 PHE 64 HD2 PHE 64 -3.480 0.640 1.808 385 HE1 PHE 64 HE1 PHE 64 -3.223 4.358 -1.402 386 HE2 PHE 64 HE2 PHE 64 -3.525 0.179 -0.609 387 HZ PHE 64 HZ PHE 64 -3.400 2.041 -2.218 388 H LEU 65 HN LEU 65 -5.207 1.580 5.604 389 HA LEU 65 HA LEU 65 -4.636 3.643 7.625 390 HB2 LEU 65 HB2 LEU 65 -6.523 1.296 7.795 391 HB3 LEU 65 HB1 LEU 65 -6.197 2.424 9.097 392 HG LEU 65 HG LEU 65 -7.421 3.201 6.449 393 HD11 LEU 65 HD11 LEU 65 -8.800 2.860 9.103 394 HD12 LEU 65 HD12 LEU 65 -8.826 1.657 7.816 395 HD13 LEU 65 HD13 LEU 65 -9.536 3.248 7.550 396 HD21 LEU 65 HD21 LEU 65 -8.036 5.250 7.712 397 HD22 LEU 65 HD22 LEU 65 -6.298 5.050 7.488 398 HD23 LEU 65 HD23 LEU 65 -7.034 4.679 9.047 399 H PHE 66 HN PHE 66 -2.879 3.329 8.717 400 HA PHE 66 HA PHE 66 -1.981 0.577 9.283 401 HB2 PHE 66 HB2 PHE 66 -0.484 1.663 7.662 402 HB3 PHE 66 HB1 PHE 66 -0.286 3.031 8.749 403 HD1 PHE 66 HD1 PHE 66 0.406 -0.573 8.339 404 HD2 PHE 66 HD2 PHE 66 1.303 2.991 10.485 405 HE1 PHE 66 HE1 PHE 66 2.330 -1.690 9.390 406 HE2 PHE 66 HE2 PHE 66 3.228 1.877 11.538 407 HZ PHE 66 HZ PHE 66 3.743 -0.464 10.989 408 H GLU 67 HN GLU 67 -2.348 0.197 11.354 409 HA GLU 67 HA GLU 67 -2.495 0.407 13.603 410 HB2 GLU 67 HB2 GLU 67 -0.298 2.384 13.026 411 HB3 GLU 67 HB1 GLU 67 -0.843 2.052 14.664 412 HG2 GLU 67 HG2 GLU 67 0.344 0.080 12.725 413 HG3 GLU 67 HG1 GLU 67 1.104 0.729 14.178 414 H GLY 68 HN GLY 68 -4.314 1.889 11.968 415 HA2 GLY 68 HA2 GLY 68 -6.183 3.136 12.678 416 HA3 GLY 68 HA1 GLY 68 -5.217 3.799 13.986 417 H GLN 69 HN GLN 69 -3.008 4.502 12.181 418 HA GLN 69 HA GLN 69 -4.016 7.090 11.393 419 HB2 GLN 69 HB2 GLN 69 -1.279 5.830 11.377 420 HB3 GLN 69 HB1 GLN 69 -1.583 7.418 10.687 421 HG2 GLN 69 HG2 GLN 69 -2.688 7.299 13.318 422 HG3 GLN 69 HG1 GLN 69 -1.004 6.774 13.357 423 HE21 GLN 69 HE21 GLN 69 -2.202 9.193 14.430 424 HE22 GLN 69 HE22 GLN 69 -1.376 10.513 13.678 425 H ARG 70 HN ARG 70 -3.789 7.991 9.278 426 HA ARG 70 HA ARG 70 -4.086 5.959 7.194 427 HB2 ARG 70 HB2 ARG 70 -5.072 7.715 5.826 428 HB3 ARG 70 HB1 ARG 70 -5.881 7.629 7.384 429 HG2 ARG 70 HG2 ARG 70 -4.622 9.576 8.150 430 HG3 ARG 70 HG1 ARG 70 -3.799 9.659 6.592 431 HD2 ARG 70 HD2 ARG 70 -6.753 9.992 7.092 432 HD3 ARG 70 HD1 ARG 70 -5.612 11.259 6.648 433 HE ARG 70 HE ARG 70 -5.312 9.772 4.551 434 HH11 ARG 70 HH11 ARG 70 -9.303 10.099 4.869 435 HH12 ARG 70 HH12 ARG 70 -8.314 10.331 6.273 436 HH21 ARG 70 HH21 ARG 70 -8.357 9.621 2.832 437 HH22 ARG 70 HH22 ARG 70 -6.623 9.477 2.700 438 H ILE 71 HN ILE 71 -2.779 5.851 5.418 439 HA ILE 71 HA ILE 71 -0.149 6.960 5.704 440 HB ILE 71 HB ILE 71 -1.313 5.354 3.427 441 HG12 ILE 71 HG12 ILE 71 -1.385 4.101 5.514 442 HG13 ILE 71 HG11 ILE 71 -0.125 3.447 4.474 443 HG21 ILE 71 HG21 ILE 71 0.672 6.633 2.778 444 HG22 ILE 71 HG22 ILE 71 0.986 4.898 2.796 445 HG23 ILE 71 HG23 ILE 71 1.568 5.913 4.115 446 HD11 ILE 71 HD11 ILE 71 0.257 5.249 6.853 447 HD12 ILE 71 HD12 ILE 71 1.547 4.718 5.773 448 HD13 ILE 71 HD13 ILE 71 0.661 3.536 6.738 449 H ALA 72 HN ALA 72 0.610 8.767 4.886 450 HA ALA 72 HA ALA 72 -1.071 10.350 3.108 451 HB1 ALA 72 HB1 ALA 72 1.515 11.068 4.487 452 HB2 ALA 72 HB2 ALA 72 -0.102 11.416 5.091 453 HB3 ALA 72 HB3 ALA 72 0.467 12.177 3.607 454 H ASP 73 HN ASP 73 0.043 11.562 1.342 455 HA ASP 73 HA ASP 73 1.314 9.702 -0.425 456 HB2 ASP 73 HB2 ASP 73 0.577 12.618 -0.665 457 HB3 ASP 73 HB1 ASP 73 1.438 11.767 -1.939 458 H ASN 74 HN ASN 74 2.446 11.857 1.913 459 HA ASN 74 HA ASN 74 5.112 11.954 0.670 460 HB2 ASN 74 HB2 ASN 74 5.568 13.797 2.321 461 HB3 ASN 74 HB1 ASN 74 4.328 14.175 1.130 462 HD21 ASN 74 HD21 ASN 74 5.034 13.664 4.460 463 HD22 ASN 74 HD22 ASN 74 3.480 14.107 5.076 464 H HIS 75 HN HIS 75 3.782 9.772 2.264 465 HA HIS 75 HA HIS 75 5.454 9.640 4.646 466 HB2 HIS 75 HB2 HIS 75 3.134 8.079 3.597 467 HB3 HIS 75 HB1 HIS 75 4.240 7.276 4.703 468 HD2 HIS 75 HD2 HIS 75 4.210 10.689 6.032 469 HE1 HIS 75 HE1 HIS 75 0.792 8.856 7.723 470 HE2 HIS 75 HE2 HIS 75 2.362 10.839 7.853 471 H THR 76 HN THR 76 6.737 7.678 5.054 472 HA THR 76 HA THR 76 7.775 6.448 2.585 473 HB THR 76 HB THR 76 10.037 6.429 3.818 474 HG1 THR 76 HG1 THR 76 8.536 8.266 5.379 475 HG21 THR 76 HG21 THR 76 9.555 7.819 1.837 476 HG22 THR 76 HG22 THR 76 10.645 8.621 2.967 477 HG23 THR 76 HG23 THR 76 8.946 9.090 2.897 478 HA PRO 77 HA PRO 77 7.169 2.603 4.718 479 HB2 PRO 77 HB2 PRO 77 9.590 1.525 3.451 480 HB3 PRO 77 HB1 PRO 77 7.903 1.050 3.225 481 HG2 PRO 77 HG2 PRO 77 9.266 2.336 1.307 482 HG3 PRO 77 HG1 PRO 77 7.528 2.590 1.568 483 HD2 PRO 77 HD2 PRO 77 9.828 4.313 2.382 484 HD3 PRO 77 HD1 PRO 77 8.243 4.778 1.732 485 H LYS 78 HN LYS 78 10.007 4.437 5.050 486 HA LYS 78 HA LYS 78 11.348 2.719 6.918 487 HB2 LYS 78 HB2 LYS 78 12.651 4.217 5.527 488 HB3 LYS 78 HB1 LYS 78 11.788 5.609 6.158 489 HG2 LYS 78 HG2 LYS 78 13.941 5.515 7.185 490 HG3 LYS 78 HG1 LYS 78 12.722 5.120 8.397 491 HD2 LYS 78 HD2 LYS 78 14.560 3.601 8.655 492 HD3 LYS 78 HD1 LYS 78 13.193 2.708 7.989 493 HE2 LYS 78 HE2 LYS 78 14.146 2.816 5.775 494 HE3 LYS 78 HE1 LYS 78 15.464 3.831 6.355 495 HZ1 LYS 78 HZ1 LYS 78 14.949 1.029 7.190 496 HZ2 LYS 78 HZ2 LYS 78 16.215 2.004 7.735 497 HZ3 LYS 78 HZ3 LYS 78 16.158 1.533 6.115 498 H GLU 79 HN GLU 79 9.293 5.598 7.129 499 HA GLU 79 HA GLU 79 9.596 5.775 9.984 500 HB2 GLU 79 HB2 GLU 79 8.004 7.600 9.867 501 HB3 GLU 79 HB1 GLU 79 9.209 7.783 8.600 502 HG2 GLU 79 HG2 GLU 79 7.552 6.707 7.040 503 HG3 GLU 79 HG1 GLU 79 6.362 6.882 8.328 504 H LEU 80 HN LEU 80 7.510 5.936 11.307 505 HA LEU 80 HA LEU 80 5.689 4.999 12.251 506 HB2 LEU 80 HB2 LEU 80 5.262 4.301 9.415 507 HB3 LEU 80 HB1 LEU 80 4.404 3.313 10.580 508 HG LEU 80 HG LEU 80 4.244 6.327 10.495 509 HD11 LEU 80 HD11 LEU 80 3.243 5.693 8.491 510 HD12 LEU 80 HD12 LEU 80 1.895 5.783 9.623 511 HD13 LEU 80 HD13 LEU 80 2.572 4.216 9.183 512 HD21 LEU 80 HD21 LEU 80 2.225 5.931 11.886 513 HD22 LEU 80 HD22 LEU 80 3.727 5.447 12.671 514 HD23 LEU 80 HD23 LEU 80 2.666 4.227 11.971 515 H GLY 81 HN GLY 81 7.232 2.563 10.136 516 HA2 GLY 81 HA2 GLY 81 8.643 0.916 11.355 517 HA3 GLY 81 HA1 GLY 81 7.326 0.804 12.512 518 H MET 82 HN MET 82 7.973 0.401 9.042 519 HA MET 82 HA MET 82 5.943 -1.724 8.970 520 HB2 MET 82 HB2 MET 82 7.267 -0.185 6.725 521 HB3 MET 82 HB1 MET 82 6.085 -1.468 6.502 522 HG2 MET 82 HG2 MET 82 4.359 -0.186 7.471 523 HG3 MET 82 HG1 MET 82 5.498 0.998 8.107 524 HE1 MET 82 HE1 MET 82 2.893 1.889 6.546 525 HE2 MET 82 HE2 MET 82 3.568 3.154 5.517 526 HE3 MET 82 HE3 MET 82 4.110 2.994 7.189 527 H GLU 83 HN GLU 83 6.531 -3.784 8.793 528 HA GLU 83 HA GLU 83 9.303 -4.378 7.960 529 HB2 GLU 83 HB2 GLU 83 7.774 -5.232 10.355 530 HB3 GLU 83 HB1 GLU 83 8.764 -6.462 9.579 531 HG2 GLU 83 HG2 GLU 83 9.750 -3.786 10.544 532 HG3 GLU 83 HG1 GLU 83 9.943 -5.317 11.396 533 H GLU 84 HN GLU 84 9.190 -7.106 7.952 534 HA GLU 84 HA GLU 84 7.786 -7.637 5.517 535 HB2 GLU 84 HB2 GLU 84 9.994 -8.632 6.085 536 HB3 GLU 84 HB1 GLU 84 9.223 -9.554 7.363 537 HG2 GLU 84 HG2 GLU 84 9.345 -11.097 5.667 538 HG3 GLU 84 HG1 GLU 84 7.713 -10.462 5.472 539 H GLU 85 HN GLU 85 5.979 -8.867 5.179 540 HA GLU 85 HA GLU 85 3.983 -9.871 5.572 541 HB2 GLU 85 HB2 GLU 85 5.338 -10.719 8.137 542 HB3 GLU 85 HB1 GLU 85 3.744 -11.272 7.652 543 HG2 GLU 85 HG2 GLU 85 6.256 -11.700 6.055 544 HG3 GLU 85 HG1 GLU 85 5.562 -12.875 7.169 545 H ASP 86 HN ASP 86 4.636 -7.131 6.457 546 HA ASP 86 HA ASP 86 3.204 -6.526 8.835 547 HB2 ASP 86 HB2 ASP 86 4.965 -5.157 7.344 548 HB3 ASP 86 HB1 ASP 86 3.474 -4.466 6.713 549 H VAL 87 HN VAL 87 1.086 -6.277 9.149 550 HA VAL 87 HA VAL 87 -0.716 -6.609 6.894 551 HB VAL 87 HB VAL 87 -1.330 -6.444 9.851 552 HG11 VAL 87 HG11 VAL 87 -3.239 -5.847 8.428 553 HG12 VAL 87 HG12 VAL 87 -3.501 -7.379 9.262 554 HG13 VAL 87 HG13 VAL 87 -3.056 -7.367 7.556 555 HG21 VAL 87 HG21 VAL 87 -1.090 -8.857 8.056 556 HG22 VAL 87 HG22 VAL 87 -1.549 -8.867 9.759 557 HG23 VAL 87 HG23 VAL 87 0.075 -8.368 9.287 558 H ILE 88 HN ILE 88 -1.799 -5.014 5.952 559 HA ILE 88 HA ILE 88 -2.276 -2.527 7.435 560 HB ILE 88 HB ILE 88 -0.311 -2.077 6.083 561 HG12 ILE 88 HG12 ILE 88 -2.655 -0.804 4.673 562 HG13 ILE 88 HG11 ILE 88 -2.188 -0.373 6.313 563 HG21 ILE 88 HG21 ILE 88 -1.961 -3.051 3.758 564 HG22 ILE 88 HG22 ILE 88 -0.485 -3.775 4.398 565 HG23 ILE 88 HG23 ILE 88 -0.422 -2.202 3.599 566 HD11 ILE 88 HD11 ILE 88 -1.309 1.195 4.670 567 HD12 ILE 88 HD12 ILE 88 -0.443 -0.121 3.878 568 HD13 ILE 88 HD13 ILE 88 -0.015 0.353 5.520 569 H GLU 89 HN GLU 89 -4.181 -1.423 6.809 570 HA GLU 89 HA GLU 89 -5.980 -3.056 5.144 571 HB2 GLU 89 HB2 GLU 89 -6.923 -1.015 7.135 572 HB3 GLU 89 HB1 GLU 89 -7.802 -2.381 6.464 573 HG2 GLU 89 HG2 GLU 89 -6.105 -3.843 7.694 574 HG3 GLU 89 HG1 GLU 89 -5.678 -2.376 8.575 575 H VAL 90 HN VAL 90 -7.499 -1.985 3.800 576 HA VAL 90 HA VAL 90 -7.083 0.848 3.276 577 HB VAL 90 HB VAL 90 -5.530 -0.083 1.705 578 HG11 VAL 90 HG11 VAL 90 -7.743 -1.939 0.848 579 HG12 VAL 90 HG12 VAL 90 -6.253 -2.380 1.677 580 HG13 VAL 90 HG13 VAL 90 -6.192 -1.764 0.026 581 HG21 VAL 90 HG21 VAL 90 -6.498 0.611 -0.434 582 HG22 VAL 90 HG22 VAL 90 -6.903 1.737 0.859 583 HG23 VAL 90 HG23 VAL 90 -8.107 0.584 0.287 584 H TYR 91 HN TYR 91 -8.998 1.803 3.082 585 HA TYR 91 HA TYR 91 -11.275 0.167 2.176 586 HB2 TYR 91 HB2 TYR 91 -11.298 2.195 4.423 587 HB3 TYR 91 HB1 TYR 91 -12.707 1.336 3.813 588 HD1 TYR 91 HD1 TYR 91 -12.647 -1.252 3.944 589 HD2 TYR 91 HD2 TYR 91 -10.044 1.286 6.153 590 HE1 TYR 91 HE1 TYR 91 -12.186 -3.093 5.508 591 HE2 TYR 91 HE2 TYR 91 -9.579 -0.547 7.724 592 HH TYR 91 HH TYR 91 -9.915 -2.671 8.224 593 H GLN 92 HN GLN 92 -13.083 1.430 1.327 594 HA GLN 92 HA GLN 92 -12.144 3.414 -0.496 595 HB2 GLN 92 HB2 GLN 92 -13.913 1.799 -1.100 596 HB3 GLN 92 HB1 GLN 92 -14.980 2.538 0.090 597 HG2 GLN 92 HG2 GLN 92 -14.901 4.642 -1.144 598 HG3 GLN 92 HG1 GLN 92 -13.842 3.899 -2.341 599 HE21 GLN 92 HE21 GLN 92 -17.061 4.016 -1.038 600 HE22 GLN 92 HE22 GLN 92 -17.839 3.218 -2.362 601 H GLU 93 HN GLU 93 -12.411 5.551 -0.503 602 HA GLU 93 HA GLU 93 -12.964 6.867 1.989 603 HB2 GLU 93 HB2 GLU 93 -12.110 7.758 -0.749 604 HB3 GLU 93 HB1 GLU 93 -12.592 8.936 0.463 605 HG2 GLU 93 HG2 GLU 93 -10.550 6.889 1.160 606 HG3 GLU 93 HG1 GLU 93 -10.091 8.269 0.162 607 H GLN 94 HN GLN 94 -14.205 9.145 1.480 608 HA GLN 94 HA GLN 94 -16.877 8.318 0.587 609 HB2 GLN 94 HB2 GLN 94 -16.671 9.039 2.954 610 HB3 GLN 94 HB1 GLN 94 -16.098 10.607 2.407 611 HG2 GLN 94 HG2 GLN 94 -18.236 11.001 1.294 612 HG3 GLN 94 HG1 GLN 94 -18.809 9.428 1.842 613 HE21 GLN 94 HE21 GLN 94 -20.512 10.338 2.970 614 HE22 GLN 94 HE22 GLN 94 -20.284 11.202 4.452 615 H THR 95 HN THR 95 -14.212 10.270 -0.140 616 HA THR 95 HA THR 95 -15.431 12.450 -1.435 617 HB THR 95 HB THR 95 -12.956 11.933 -2.683 618 HG1 THR 95 HG1 THR 95 -11.680 11.605 -0.715 619 HG21 THR 95 HG21 THR 95 -13.805 14.130 -1.990 620 HG22 THR 95 HG22 THR 95 -12.196 13.834 -1.335 621 HG23 THR 95 HG23 THR 95 -13.612 13.671 -0.299 622 H GLY 96 HN GLY 96 -14.391 9.268 -2.585 623 HA2 GLY 96 HA2 GLY 96 -15.381 8.137 -4.399 624 HA3 GLY 96 HA1 GLY 96 -16.011 9.670 -4.984 625 H GLY 97 HN GLY 97 -12.847 10.127 -4.126 626 HA2 GLY 97 HA2 GLY 97 -10.841 9.588 -5.385 627 HA3 GLY 97 HA1 GLY 97 -11.854 9.418 -6.813 628 H1 ASP 195 HN ASP 195 -7.417 -20.730 -5.047 629 HA ASP 195 HA ASP 195 -9.367 -18.946 -3.763 630 HB2 ASP 195 HB2 ASP 195 -6.638 -19.909 -2.985 631 HB3 ASP 195 HB1 ASP 195 -7.281 -18.423 -2.291 632 H THR 196 HN THR 196 -7.706 -16.804 -3.049 633 HA THR 196 HA THR 196 -6.982 -15.814 -5.721 634 HB THR 196 HB THR 196 -7.780 -13.945 -3.541 635 HG1 THR 196 HG1 THR 196 -9.552 -15.270 -3.534 636 HG21 THR 196 HG21 THR 196 -8.546 -12.596 -5.417 637 HG22 THR 196 HG22 THR 196 -8.151 -13.903 -6.534 638 HG23 THR 196 HG23 THR 196 -6.865 -13.081 -5.649 639 H ALA 197 HN ALA 197 -4.941 -15.416 -5.982 640 HA ALA 197 HA ALA 197 -3.366 -14.319 -3.749 641 HB1 ALA 197 HB1 ALA 197 -1.450 -15.579 -4.431 642 HB2 ALA 197 HB2 ALA 197 -2.291 -16.194 -5.849 643 HB3 ALA 197 HB3 ALA 197 -2.791 -16.712 -4.243 644 H GLY 198 HN GLY 198 -2.482 -12.393 -4.247 645 HA2 GLY 198 HA2 GLY 198 -2.148 -11.794 -7.118 646 HA3 GLY 198 HA1 GLY 198 -2.753 -10.601 -5.978 647 H CYS 199 HN CYS 199 -0.160 -11.200 -7.750 648 HA CYS 199 HA CYS 199 1.644 -10.241 -5.628 649 HB2 CYS 199 HB2 CYS 199 2.400 -11.935 -8.026 650 HB3 CYS 199 HB1 CYS 199 3.502 -11.362 -6.781 651 HG CYS 199 HG CYS 199 1.562 -12.822 -4.902 652 H ILE 200 HN ILE 200 2.260 -8.217 -5.926 653 HA ILE 200 HA ILE 200 2.583 -7.212 -8.670 654 HB ILE 200 HB ILE 200 0.561 -6.227 -8.008 655 HG12 ILE 200 HG12 ILE 200 2.587 -4.119 -7.240 656 HG13 ILE 200 HG11 ILE 200 2.296 -4.615 -8.906 657 HG21 ILE 200 HG21 ILE 200 0.696 -6.823 -5.625 658 HG22 ILE 200 HG22 ILE 200 0.130 -5.172 -5.882 659 HG23 ILE 200 HG23 ILE 200 1.791 -5.462 -5.369 660 HD11 ILE 200 HD11 ILE 200 0.209 -3.468 -7.061 661 HD12 ILE 200 HD12 ILE 200 0.011 -3.856 -8.771 662 HD13 ILE 200 HD13 ILE 200 1.093 -2.555 -8.283 663 H VAL 201 HN VAL 201 4.493 -6.203 -9.078 664 HA VAL 201 HA VAL 201 6.143 -5.495 -6.735 665 HB VAL 201 HB VAL 201 7.097 -7.407 -7.997 666 HG11 VAL 201 HG11 VAL 201 7.963 -7.171 -10.220 667 HG12 VAL 201 HG12 VAL 201 7.497 -5.472 -10.273 668 HG13 VAL 201 HG13 VAL 201 6.257 -6.725 -10.242 669 HG21 VAL 201 HG21 VAL 201 8.592 -5.987 -6.757 670 HG22 VAL 201 HG22 VAL 201 8.687 -4.846 -8.099 671 HG23 VAL 201 HG23 VAL 201 9.372 -6.465 -8.266 672 H ILE 202 HN ILE 202 6.828 -3.444 -6.606 673 HA ILE 202 HA ILE 202 6.385 -1.687 -8.928 674 HB ILE 202 HB ILE 202 4.684 -1.252 -7.261 675 HG12 ILE 202 HG12 ILE 202 5.168 1.146 -6.746 676 HG13 ILE 202 HG11 ILE 202 6.822 0.892 -7.287 677 HG21 ILE 202 HG21 ILE 202 6.927 -0.742 -5.304 678 HG22 ILE 202 HG22 ILE 202 5.888 -2.168 -5.317 679 HG23 ILE 202 HG23 ILE 202 5.199 -0.577 -4.991 680 HD11 ILE 202 HD11 ILE 202 5.062 0.007 -9.338 681 HD12 ILE 202 HD12 ILE 202 6.213 1.342 -9.361 682 HD13 ILE 202 HD13 ILE 202 4.560 1.614 -8.812 683 H SEP 203 HN SEP 203 8.052 -0.364 -9.509 684 HA SEP 203 HA SEP 203 10.332 -0.317 -7.654 685 HB2 SEP 203 HB1 SEP 203 10.315 -0.098 -10.676 686 HB3 SEP 203 HB2 SEP 203 10.702 -1.562 -9.773 687 H ASP 204 HN ASP 204 10.608 1.507 -6.756 688 HA ASP 204 HA ASP 204 10.151 3.976 -8.228 689 HB2 ASP 204 HB2 ASP 204 8.252 3.320 -6.600 690 HB3 ASP 204 HB1 ASP 204 9.368 3.845 -5.362 691 H SEP 205 HN SEP 205 11.652 5.482 -7.919 692 HA SEP 205 HA SEP 205 13.674 4.999 -5.854 693 HB2 SEP 205 HB1 SEP 205 14.716 6.445 -8.046 694 HB3 SEP 205 HB2 SEP 205 14.082 4.883 -8.588 695 H GLU 206 HN GLU 206 14.428 6.725 -4.723 696 HA GLU 206 HA GLU 206 12.932 9.049 -4.460 697 HB2 GLU 206 HB2 GLU 206 14.375 8.473 -2.679 698 HB3 GLU 206 HB1 GLU 206 15.773 8.383 -3.742 699 HG2 GLU 206 HG2 GLU 206 16.096 10.346 -2.555 700 HG3 GLU 206 HG1 GLU 206 15.444 10.889 -4.098 Start of MODEL 2 1 H1 TYR 21 HN TYR 21 14.361 -6.496 0.692 2 HA TYR 21 HA TYR 21 12.164 -5.076 -0.655 3 HB2 TYR 21 HB2 TYR 21 13.265 -7.803 -1.204 4 HB3 TYR 21 HB1 TYR 21 11.547 -7.503 -1.443 5 HD1 TYR 21 HD1 TYR 21 10.873 -5.609 -3.015 6 HD2 TYR 21 HD2 TYR 21 14.824 -7.174 -2.835 7 HE1 TYR 21 HE1 TYR 21 11.341 -4.672 -5.239 8 HE2 TYR 21 HE2 TYR 21 15.303 -6.236 -5.051 9 HH TYR 21 HH TYR 21 13.352 -3.950 -6.555 10 H ILE 22 HN ILE 22 10.414 -4.951 0.526 11 HA ILE 22 HA ILE 22 9.989 -6.917 2.689 12 HB ILE 22 HB ILE 22 9.261 -3.982 2.606 13 HG12 ILE 22 HG12 ILE 22 11.630 -4.465 3.128 14 HG13 ILE 22 HG11 ILE 22 10.780 -3.760 4.497 15 HG21 ILE 22 HG21 ILE 22 8.639 -6.027 4.729 16 HG22 ILE 22 HG22 ILE 22 7.475 -5.234 3.668 17 HG23 ILE 22 HG23 ILE 22 8.362 -4.289 4.865 18 HD11 ILE 22 HD11 ILE 22 11.493 -6.655 4.120 19 HD12 ILE 22 HD12 ILE 22 10.535 -6.016 5.457 20 HD13 ILE 22 HD13 ILE 22 12.216 -5.519 5.258 21 H LYS 23 HN LYS 23 8.114 -8.033 2.615 22 HA LYS 23 HA LYS 23 6.192 -7.284 0.535 23 HB2 LYS 23 HB2 LYS 23 7.065 -9.592 0.540 24 HB3 LYS 23 HB1 LYS 23 6.399 -9.829 2.148 25 HG2 LYS 23 HG2 LYS 23 4.153 -9.142 0.993 26 HG3 LYS 23 HG1 LYS 23 5.001 -9.635 -0.474 27 HD2 LYS 23 HD2 LYS 23 3.853 -11.555 0.274 28 HD3 LYS 23 HD1 LYS 23 5.539 -11.798 0.737 29 HE2 LYS 23 HE2 LYS 23 3.932 -10.430 2.764 30 HE3 LYS 23 HE1 LYS 23 3.380 -12.062 2.397 31 HZ1 LYS 23 HZ1 LYS 23 4.916 -12.354 4.081 32 HZ2 LYS 23 HZ2 LYS 23 5.995 -11.193 3.464 33 HZ3 LYS 23 HZ3 LYS 23 5.823 -12.692 2.689 34 H LEU 24 HN LEU 24 4.445 -6.214 1.058 35 HA LEU 24 HA LEU 24 3.515 -6.230 3.838 36 HB2 LEU 24 HB2 LEU 24 2.685 -4.420 1.569 37 HB3 LEU 24 HB1 LEU 24 2.300 -4.215 3.268 38 HG LEU 24 HG LEU 24 5.146 -4.192 2.293 39 HD11 LEU 24 HD11 LEU 24 3.274 -1.842 2.522 40 HD12 LEU 24 HD12 LEU 24 3.956 -2.492 1.031 41 HD13 LEU 24 HD13 LEU 24 5.012 -1.753 2.233 42 HD21 LEU 24 HD21 LEU 24 5.530 -2.949 4.346 43 HD22 LEU 24 HD22 LEU 24 4.754 -4.494 4.695 44 HD23 LEU 24 HD23 LEU 24 3.808 -3.004 4.723 45 H LYS 25 HN LYS 25 1.627 -7.165 4.395 46 HA LYS 25 HA LYS 25 0.172 -8.578 2.311 47 HB2 LYS 25 HB2 LYS 25 0.000 -8.657 5.325 48 HB3 LYS 25 HB1 LYS 25 -1.088 -9.552 4.273 49 HG2 LYS 25 HG2 LYS 25 1.091 -10.514 3.253 50 HG3 LYS 25 HG1 LYS 25 1.831 -9.951 4.752 51 HD2 LYS 25 HD2 LYS 25 1.216 -12.206 5.128 52 HD3 LYS 25 HD1 LYS 25 0.021 -11.220 5.975 53 HE2 LYS 25 HE2 LYS 25 -1.591 -11.559 4.252 54 HE3 LYS 25 HE1 LYS 25 -0.395 -12.313 3.199 55 HZ1 LYS 25 HZ1 LYS 25 -1.373 -13.420 5.776 56 HZ2 LYS 25 HZ2 LYS 25 -0.224 -14.144 4.767 57 HZ3 LYS 25 HZ3 LYS 25 -1.824 -13.962 4.232 58 H VAL 26 HN VAL 26 -1.169 -7.296 1.240 59 HA VAL 26 HA VAL 26 -2.782 -5.329 2.655 60 HB VAL 26 HB VAL 26 -2.905 -5.941 -0.294 61 HG11 VAL 26 HG11 VAL 26 -4.704 -4.574 0.541 62 HG12 VAL 26 HG12 VAL 26 -3.617 -3.584 -0.431 63 HG13 VAL 26 HG13 VAL 26 -3.560 -3.489 1.329 64 HG21 VAL 26 HG21 VAL 26 -1.051 -3.985 1.058 65 HG22 VAL 26 HG22 VAL 26 -1.239 -4.217 -0.680 66 HG23 VAL 26 HG23 VAL 26 -0.566 -5.508 0.314 67 H ILE 27 HN ILE 27 -4.623 -5.967 3.527 68 HA ILE 27 HA ILE 27 -5.998 -8.312 2.434 69 HB ILE 27 HB ILE 27 -6.540 -6.866 5.032 70 HG12 ILE 27 HG12 ILE 27 -4.268 -7.840 4.981 71 HG13 ILE 27 HG11 ILE 27 -5.309 -8.654 6.140 72 HG21 ILE 27 HG21 ILE 27 -7.780 -8.879 5.640 73 HG22 ILE 27 HG22 ILE 27 -7.429 -9.582 4.062 74 HG23 ILE 27 HG23 ILE 27 -8.443 -8.144 4.183 75 HD11 ILE 27 HD11 ILE 27 -4.632 -9.671 3.390 76 HD12 ILE 27 HD12 ILE 27 -5.624 -10.496 4.593 77 HD13 ILE 27 HD13 ILE 27 -3.911 -10.221 4.906 78 H GLY 28 HN GLY 28 -7.512 -7.891 0.974 79 HA2 GLY 28 HA2 GLY 28 -8.806 -5.315 0.833 80 HA3 GLY 28 HA1 GLY 28 -9.092 -6.688 -0.229 81 H GLN 29 HN GLN 29 -11.189 -5.148 0.664 82 HA GLN 29 HA GLN 29 -12.407 -6.085 3.030 83 HB2 GLN 29 HB2 GLN 29 -13.016 -3.974 1.860 84 HB3 GLN 29 HB1 GLN 29 -13.759 -4.932 0.588 85 HG2 GLN 29 HG2 GLN 29 -15.436 -4.089 2.121 86 HG3 GLN 29 HG1 GLN 29 -15.353 -5.849 2.195 87 HE21 GLN 29 HE21 GLN 29 -14.487 -6.838 4.039 88 HE22 GLN 29 HE22 GLN 29 -14.305 -5.982 5.531 89 H ASP 30 HN ASP 30 -12.230 -7.413 -0.165 90 HA ASP 30 HA ASP 30 -14.409 -9.282 0.362 91 HB2 ASP 30 HB2 ASP 30 -14.223 -9.956 -1.934 92 HB3 ASP 30 HB1 ASP 30 -14.168 -8.199 -1.883 93 H SER 31 HN SER 31 -11.827 -9.279 1.819 94 HA SER 31 HA SER 31 -10.415 -10.764 2.774 95 HB2 SER 31 HB2 SER 31 -12.006 -12.960 1.448 96 HB3 SER 31 HB1 SER 31 -11.100 -13.040 2.959 97 HG SER 31 HG SER 31 -13.611 -11.949 2.425 98 H SER 32 HN SER 32 -9.553 -9.662 0.374 99 HA SER 32 HA SER 32 -8.325 -11.821 -1.154 100 HB2 SER 32 HB2 SER 32 -7.353 -9.582 -2.288 101 HB3 SER 32 HB1 SER 32 -8.944 -10.233 -2.688 102 HG SER 32 HG SER 32 -9.840 -8.540 -1.812 103 H GLU 33 HN GLU 33 -6.182 -12.310 -1.093 104 HA GLU 33 HA GLU 33 -4.567 -10.912 0.925 105 HB2 GLU 33 HB2 GLU 33 -4.519 -13.736 -0.101 106 HB3 GLU 33 HB1 GLU 33 -3.106 -13.043 0.680 107 HG2 GLU 33 HG2 GLU 33 -4.593 -12.516 2.644 108 HG3 GLU 33 HG1 GLU 33 -5.828 -13.502 1.861 109 H ILE 34 HN ILE 34 -3.885 -9.240 -0.416 110 HA ILE 34 HA ILE 34 -2.421 -9.944 -2.842 111 HB ILE 34 HB ILE 34 -3.022 -7.208 -1.711 112 HG12 ILE 34 HG12 ILE 34 -5.095 -8.332 -2.289 113 HG13 ILE 34 HG11 ILE 34 -4.753 -7.082 -3.480 114 HG21 ILE 34 HG21 ILE 34 -1.992 -8.038 -4.418 115 HG22 ILE 34 HG22 ILE 34 -1.100 -7.164 -3.173 116 HG23 ILE 34 HG23 ILE 34 -2.476 -6.401 -3.969 117 HD11 ILE 34 HD11 ILE 34 -4.431 -10.053 -3.799 118 HD12 ILE 34 HD12 ILE 34 -3.824 -8.873 -4.959 119 HD13 ILE 34 HD13 ILE 34 -5.555 -8.986 -4.641 120 H HIS 35 HN HIS 35 -0.269 -9.920 -3.002 121 HA HIS 35 HA HIS 35 1.264 -9.190 -0.602 122 HB2 HIS 35 HB2 HIS 35 2.170 -10.869 -2.948 123 HB3 HIS 35 HB1 HIS 35 3.011 -10.646 -1.420 124 HD2 HIS 35 HD2 HIS 35 0.732 -11.436 0.689 125 HE1 HIS 35 HE1 HIS 35 0.366 -14.964 -1.621 126 HE2 HIS 35 HE2 HIS 35 -0.144 -13.878 0.615 127 H PHE 36 HN PHE 36 1.706 -7.055 -0.847 128 HA PHE 36 HA PHE 36 2.785 -6.139 -3.414 129 HB2 PHE 36 HB2 PHE 36 0.946 -4.962 -1.830 130 HB3 PHE 36 HB1 PHE 36 2.403 -4.234 -1.160 131 HD1 PHE 36 HD1 PHE 36 4.002 -4.041 -3.688 132 HD2 PHE 36 HD2 PHE 36 -0.071 -3.153 -2.853 133 HE1 PHE 36 HE1 PHE 36 3.985 -2.409 -5.528 134 HE2 PHE 36 HE2 PHE 36 -0.098 -1.509 -4.688 135 HZ PHE 36 HZ PHE 36 1.936 -1.136 -6.031 136 H LYS 37 HN LYS 37 4.919 -6.352 -3.612 137 HA LYS 37 HA LYS 37 6.574 -6.255 -1.199 138 HB2 LYS 37 HB2 LYS 37 6.722 -8.186 -2.842 139 HB3 LYS 37 HB1 LYS 37 7.463 -7.056 -3.967 140 HG2 LYS 37 HG2 LYS 37 9.351 -6.764 -2.594 141 HG3 LYS 37 HG1 LYS 37 8.561 -7.525 -1.214 142 HD2 LYS 37 HD2 LYS 37 9.155 -8.996 -3.775 143 HD3 LYS 37 HD1 LYS 37 10.297 -8.918 -2.431 144 HE2 LYS 37 HE2 LYS 37 8.285 -9.753 -1.018 145 HE3 LYS 37 HE1 LYS 37 7.620 -10.251 -2.570 146 HZ1 LYS 37 HZ1 LYS 37 10.235 -11.091 -1.453 147 HZ2 LYS 37 HZ2 LYS 37 9.610 -11.567 -2.950 148 HZ3 LYS 37 HZ3 LYS 37 8.837 -12.040 -1.522 149 H VAL 38 HN VAL 38 7.636 -4.497 -0.699 150 HA VAL 38 HA VAL 38 8.128 -2.499 -2.805 151 HB VAL 38 HB VAL 38 8.133 -0.789 -1.059 152 HG11 VAL 38 HG11 VAL 38 6.036 -1.329 -2.183 153 HG12 VAL 38 HG12 VAL 38 5.756 -0.825 -0.516 154 HG13 VAL 38 HG13 VAL 38 5.673 -2.534 -0.947 155 HG21 VAL 38 HG21 VAL 38 8.954 -2.141 0.803 156 HG22 VAL 38 HG22 VAL 38 7.430 -3.027 0.842 157 HG23 VAL 38 HG23 VAL 38 7.462 -1.307 1.235 158 H LYS 39 HN LYS 39 10.039 -1.185 -2.560 159 HA LYS 39 HA LYS 39 12.290 -2.688 -1.398 160 HB2 LYS 39 HB2 LYS 39 12.364 -2.537 -3.839 161 HB3 LYS 39 HB1 LYS 39 12.161 -0.794 -3.763 162 HG2 LYS 39 HG2 LYS 39 14.343 -0.573 -2.706 163 HG3 LYS 39 HG1 LYS 39 14.545 -2.326 -2.746 164 HD2 LYS 39 HD2 LYS 39 14.861 -2.376 -5.012 165 HD3 LYS 39 HD1 LYS 39 13.911 -0.916 -5.286 166 HE2 LYS 39 HE2 LYS 39 15.833 0.291 -4.056 167 HE3 LYS 39 HE1 LYS 39 16.752 -1.180 -4.374 168 HZ1 LYS 39 HZ1 LYS 39 15.337 -0.024 -6.645 169 HZ2 LYS 39 HZ2 LYS 39 16.874 -0.738 -6.566 170 HZ3 LYS 39 HZ3 LYS 39 16.658 0.866 -6.059 171 H MET 40 HN MET 40 13.974 -1.388 -0.354 172 HA MET 40 HA MET 40 12.840 0.836 1.071 173 HB2 MET 40 HB2 MET 40 14.408 -0.837 2.094 174 HB3 MET 40 HB1 MET 40 15.703 -0.117 1.147 175 HG2 MET 40 HG2 MET 40 15.572 0.670 3.504 176 HG3 MET 40 HG1 MET 40 15.514 1.949 2.295 177 HE1 MET 40 HE1 MET 40 12.715 -0.532 3.713 178 HE2 MET 40 HE2 MET 40 11.998 0.536 4.920 179 HE3 MET 40 HE3 MET 40 13.675 0.019 5.088 180 H THR 41 HN THR 41 12.451 1.970 -0.976 181 HA THR 41 HA THR 41 14.105 4.213 -1.259 182 HB THR 41 HB THR 41 15.427 2.332 -2.550 183 HG1 THR 41 HG1 THR 41 15.645 4.140 -4.338 184 HG21 THR 41 HG21 THR 41 13.789 1.381 -3.957 185 HG22 THR 41 HG22 THR 41 14.747 2.408 -5.022 186 HG23 THR 41 HG23 THR 41 13.155 2.959 -4.461 187 H THR 42 HN THR 42 11.719 2.027 -2.454 188 HA THR 42 HA THR 42 10.457 3.593 -4.366 189 HB THR 42 HB THR 42 8.825 1.744 -2.704 190 HG1 THR 42 HG1 THR 42 10.879 0.845 -4.478 191 HG21 THR 42 HG21 THR 42 9.203 2.369 -5.613 192 HG22 THR 42 HG22 THR 42 7.751 2.564 -4.620 193 HG23 THR 42 HG23 THR 42 8.290 0.959 -5.074 194 H HIS 43 HN HIS 43 9.818 5.586 -3.987 195 HA HIS 43 HA HIS 43 8.889 6.616 -1.554 196 HB2 HIS 43 HB2 HIS 43 8.061 7.638 -4.281 197 HB3 HIS 43 HB1 HIS 43 8.125 8.543 -2.782 198 HD2 HIS 43 HD2 HIS 43 11.484 7.151 -2.534 199 HE1 HIS 43 HE1 HIS 43 11.906 10.182 -5.435 200 HE2 HIS 43 HE2 HIS 43 13.103 8.712 -3.773 201 H LEU 44 HN LEU 44 6.932 6.475 -0.565 202 HA LEU 44 HA LEU 44 5.034 4.598 -1.471 203 HB2 LEU 44 HB2 LEU 44 4.892 6.658 0.713 204 HB3 LEU 44 HB1 LEU 44 3.621 5.490 0.410 205 HG LEU 44 HG LEU 44 6.434 4.943 1.341 206 HD11 LEU 44 HD11 LEU 44 5.018 5.520 3.143 207 HD12 LEU 44 HD12 LEU 44 5.152 3.763 3.158 208 HD13 LEU 44 HD13 LEU 44 3.698 4.530 2.519 209 HD21 LEU 44 HD21 LEU 44 5.747 2.538 1.301 210 HD22 LEU 44 HD22 LEU 44 5.981 3.263 -0.289 211 HD23 LEU 44 HD23 LEU 44 4.350 3.016 0.335 212 H LYS 45 HN LYS 45 5.466 7.786 -2.436 213 HA LYS 45 HA LYS 45 2.835 8.682 -2.820 214 HB2 LYS 45 HB2 LYS 45 4.682 10.209 -3.066 215 HB3 LYS 45 HB1 LYS 45 5.373 9.249 -4.366 216 HG2 LYS 45 HG2 LYS 45 4.366 11.159 -5.341 217 HG3 LYS 45 HG1 LYS 45 3.335 9.778 -5.721 218 HD2 LYS 45 HD2 LYS 45 1.927 10.423 -3.737 219 HD3 LYS 45 HD1 LYS 45 2.874 11.907 -3.638 220 HE2 LYS 45 HE2 LYS 45 2.229 12.354 -6.023 221 HE3 LYS 45 HE1 LYS 45 1.124 10.986 -5.908 222 HZ1 LYS 45 HZ1 LYS 45 1.029 13.524 -4.388 223 HZ2 LYS 45 HZ2 LYS 45 0.115 12.165 -3.952 224 HZ3 LYS 45 HZ3 LYS 45 -0.130 12.905 -5.456 225 H LYS 46 HN LYS 46 4.997 6.789 -4.882 226 HA LYS 46 HA LYS 46 3.095 6.524 -7.004 227 HB2 LYS 46 HB2 LYS 46 5.591 6.447 -7.277 228 HB3 LYS 46 HB1 LYS 46 5.571 4.873 -6.499 229 HG2 LYS 46 HG2 LYS 46 4.556 3.846 -8.300 230 HG3 LYS 46 HG1 LYS 46 3.879 5.356 -8.910 231 HD2 LYS 46 HD2 LYS 46 6.842 5.070 -8.802 232 HD3 LYS 46 HD1 LYS 46 5.968 4.212 -10.075 233 HE2 LYS 46 HE2 LYS 46 6.421 6.224 -11.096 234 HE3 LYS 46 HE1 LYS 46 4.811 6.508 -10.437 235 HZ1 LYS 46 HZ1 LYS 46 5.721 7.744 -8.648 236 HZ2 LYS 46 HZ2 LYS 46 6.453 8.326 -10.053 237 HZ3 LYS 46 HZ3 LYS 46 7.305 7.283 -9.030 238 H LEU 47 HN LEU 47 3.844 4.809 -4.095 239 HA LEU 47 HA LEU 47 2.809 2.273 -4.686 240 HB2 LEU 47 HB2 LEU 47 3.454 3.803 -2.266 241 HB3 LEU 47 HB1 LEU 47 2.193 2.613 -2.038 242 HG LEU 47 HG LEU 47 4.322 1.674 -1.421 243 HD11 LEU 47 HD11 LEU 47 3.372 0.524 -4.037 244 HD12 LEU 47 HD12 LEU 47 2.676 0.196 -2.451 245 HD13 LEU 47 HD13 LEU 47 4.323 -0.313 -2.808 246 HD21 LEU 47 HD21 LEU 47 5.795 3.063 -2.742 247 HD22 LEU 47 HD22 LEU 47 5.188 2.336 -4.230 248 HD23 LEU 47 HD23 LEU 47 6.107 1.362 -3.083 249 H LYS 48 HN LYS 48 1.245 5.154 -3.385 250 HA LYS 48 HA LYS 48 -1.262 4.004 -2.876 251 HB2 LYS 48 HB2 LYS 48 -0.633 6.884 -3.531 252 HB3 LYS 48 HB1 LYS 48 -2.084 6.294 -2.730 253 HG2 LYS 48 HG2 LYS 48 -0.659 5.448 -0.886 254 HG3 LYS 48 HG1 LYS 48 0.734 6.187 -1.678 255 HD2 LYS 48 HD2 LYS 48 0.060 7.750 -0.051 256 HD3 LYS 48 HD1 LYS 48 -0.572 8.376 -1.575 257 HE2 LYS 48 HE2 LYS 48 -2.766 7.516 -1.064 258 HE3 LYS 48 HE1 LYS 48 -2.159 6.740 0.397 259 HZ1 LYS 48 HZ1 LYS 48 -3.350 8.956 0.644 260 HZ2 LYS 48 HZ2 LYS 48 -1.954 9.667 0.004 261 HZ3 LYS 48 HZ3 LYS 48 -1.873 8.783 1.451 262 H GLU 49 HN GLU 49 -0.104 5.779 -5.750 263 HA GLU 49 HA GLU 49 -2.626 5.565 -7.066 264 HB2 GLU 49 HB2 GLU 49 -1.337 6.331 -9.095 265 HB3 GLU 49 HB1 GLU 49 -1.290 7.401 -7.704 266 HG2 GLU 49 HG2 GLU 49 0.924 6.636 -7.141 267 HG3 GLU 49 HG1 GLU 49 0.885 5.463 -8.456 268 H SER 50 HN SER 50 0.398 3.714 -7.278 269 HA SER 50 HA SER 50 -0.313 2.169 -9.507 270 HB2 SER 50 HB2 SER 50 1.465 1.394 -7.191 271 HB3 SER 50 HB1 SER 50 1.428 0.608 -8.771 272 HG SER 50 HG SER 50 2.313 3.209 -8.096 273 H TYR 51 HN TYR 51 -1.104 1.775 -6.098 274 HA TYR 51 HA TYR 51 -2.141 -0.855 -6.348 275 HB2 TYR 51 HB2 TYR 51 -1.509 0.140 -4.162 276 HB3 TYR 51 HB1 TYR 51 -2.870 1.250 -4.294 277 HD1 TYR 51 HD1 TYR 51 -2.082 -2.400 -4.252 278 HD2 TYR 51 HD2 TYR 51 -4.929 0.646 -3.401 279 HE1 TYR 51 HE1 TYR 51 -3.551 -4.072 -3.204 280 HE2 TYR 51 HE2 TYR 51 -6.402 -1.020 -2.355 281 HH TYR 51 HH TYR 51 -5.369 -4.157 -1.570 282 H CYS 52 HN CYS 52 -3.487 2.352 -6.725 283 HA CYS 52 HA CYS 52 -6.207 1.595 -6.904 284 HB2 CYS 52 HB2 CYS 52 -4.829 3.994 -8.138 285 HB3 CYS 52 HB1 CYS 52 -6.563 3.811 -7.880 286 HG CYS 52 HG CYS 52 -4.187 4.043 -5.422 287 H GLN 53 HN GLN 53 -3.586 1.791 -9.216 288 HA GLN 53 HA GLN 53 -5.089 1.494 -11.578 289 HB2 GLN 53 HB2 GLN 53 -2.263 0.592 -11.006 290 HB3 GLN 53 HB1 GLN 53 -2.973 0.789 -12.601 291 HG2 GLN 53 HG2 GLN 53 -3.105 3.141 -12.346 292 HG3 GLN 53 HG1 GLN 53 -2.706 3.040 -10.631 293 HE21 GLN 53 HE21 GLN 53 -1.396 4.501 -12.802 294 HE22 GLN 53 HE22 GLN 53 0.248 3.961 -12.814 295 H ARG 54 HN ARG 54 -3.689 -0.815 -9.331 296 HA ARG 54 HA ARG 54 -4.206 -3.155 -10.843 297 HB2 ARG 54 HB2 ARG 54 -2.623 -2.879 -8.863 298 HB3 ARG 54 HB1 ARG 54 -4.042 -2.989 -7.833 299 HG2 ARG 54 HG2 ARG 54 -3.068 -5.136 -7.884 300 HG3 ARG 54 HG1 ARG 54 -4.512 -5.216 -8.896 301 HD2 ARG 54 HD2 ARG 54 -3.224 -5.150 -10.887 302 HD3 ARG 54 HD1 ARG 54 -1.762 -4.706 -10.011 303 HE ARG 54 HE ARG 54 -2.504 -7.132 -8.973 304 HH11 ARG 54 HH11 ARG 54 -1.728 -5.933 -12.172 305 HH12 ARG 54 HH12 ARG 54 -1.104 -7.454 -12.722 306 HH21 ARG 54 HH21 ARG 54 -1.698 -9.140 -9.718 307 HH22 ARG 54 HH22 ARG 54 -1.089 -9.267 -11.339 308 H GLN 55 HN GLN 55 -6.088 -1.292 -8.549 309 HA GLN 55 HA GLN 55 -8.217 -3.256 -8.459 310 HB2 GLN 55 HB2 GLN 55 -7.935 -0.508 -7.240 311 HB3 GLN 55 HB1 GLN 55 -9.345 -1.534 -7.020 312 HG2 GLN 55 HG2 GLN 55 -6.572 -2.409 -6.282 313 HG3 GLN 55 HG1 GLN 55 -7.632 -1.548 -5.168 314 HE21 GLN 55 HE21 GLN 55 -10.060 -2.791 -6.041 315 HE22 GLN 55 HE22 GLN 55 -10.025 -4.426 -5.484 316 H GLY 56 HN GLY 56 -7.301 -0.794 -10.531 317 HA2 GLY 56 HA2 GLY 56 -8.320 0.077 -12.398 318 HA3 GLY 56 HA1 GLY 56 -9.663 -1.017 -12.103 319 H VAL 57 HN VAL 57 -8.408 1.491 -9.952 320 HA VAL 57 HA VAL 57 -10.875 3.038 -10.373 321 HB VAL 57 HB VAL 57 -10.919 3.471 -7.876 322 HG11 VAL 57 HG11 VAL 57 -12.258 1.569 -7.405 323 HG12 VAL 57 HG12 VAL 57 -11.404 0.592 -8.599 324 HG13 VAL 57 HG13 VAL 57 -12.450 1.912 -9.125 325 HG21 VAL 57 HG21 VAL 57 -8.700 2.721 -7.295 326 HG22 VAL 57 HG22 VAL 57 -9.068 1.094 -7.864 327 HG23 VAL 57 HG23 VAL 57 -9.894 1.738 -6.445 328 HA PRO 58 HA PRO 58 -8.279 6.622 -10.382 329 HB2 PRO 58 HB2 PRO 58 -9.776 8.423 -8.956 330 HB3 PRO 58 HB1 PRO 58 -10.116 7.977 -10.632 331 HG2 PRO 58 HG2 PRO 58 -11.402 6.985 -8.130 332 HG3 PRO 58 HG1 PRO 58 -12.143 7.404 -9.687 333 HD2 PRO 58 HD2 PRO 58 -11.693 4.851 -8.983 334 HD3 PRO 58 HD1 PRO 58 -11.557 5.398 -10.665 335 H MET 59 HN MET 59 -7.153 8.197 -8.949 336 HA MET 59 HA MET 59 -6.147 6.846 -6.626 337 HB2 MET 59 HB2 MET 59 -4.813 8.289 -8.256 338 HB3 MET 59 HB1 MET 59 -5.530 9.679 -7.456 339 HG2 MET 59 HG2 MET 59 -4.511 9.049 -5.362 340 HG3 MET 59 HG1 MET 59 -3.873 7.573 -6.084 341 HE1 MET 59 HE1 MET 59 -1.685 8.180 -5.044 342 HE2 MET 59 HE2 MET 59 -1.848 9.870 -4.567 343 HE3 MET 59 HE3 MET 59 -0.551 9.383 -5.658 344 H ASN 60 HN ASN 60 -6.140 7.638 -4.487 345 HA ASN 60 HA ASN 60 -6.889 8.646 -2.604 346 HB2 ASN 60 HB2 ASN 60 -6.809 10.778 -4.009 347 HB3 ASN 60 HB1 ASN 60 -8.538 10.560 -4.256 348 HD21 ASN 60 HD21 ASN 60 -9.896 11.322 -2.749 349 HD22 ASN 60 HD22 ASN 60 -9.413 11.935 -1.203 350 H SER 61 HN SER 61 -8.649 6.892 -4.682 351 HA SER 61 HA SER 61 -11.264 7.195 -3.528 352 HB2 SER 61 HB2 SER 61 -11.809 5.162 -4.869 353 HB3 SER 61 HB1 SER 61 -11.075 6.441 -5.835 354 HG SER 61 HG SER 61 -9.433 5.183 -6.233 355 H LEU 62 HN LEU 62 -8.538 5.027 -3.157 356 HA LEU 62 HA LEU 62 -9.919 3.662 -0.952 357 HB2 LEU 62 HB2 LEU 62 -7.496 2.834 -2.557 358 HB3 LEU 62 HB1 LEU 62 -8.164 1.926 -1.216 359 HG LEU 62 HG LEU 62 -9.700 2.523 -3.745 360 HD11 LEU 62 HD11 LEU 62 -9.227 0.225 -4.400 361 HD12 LEU 62 HD12 LEU 62 -8.195 0.024 -2.986 362 HD13 LEU 62 HD13 LEU 62 -7.739 1.158 -4.257 363 HD21 LEU 62 HD21 LEU 62 -10.178 0.614 -1.460 364 HD22 LEU 62 HD22 LEU 62 -11.132 0.688 -2.940 365 HD23 LEU 62 HD23 LEU 62 -11.111 2.063 -1.838 366 H ARG 63 HN ARG 63 -9.220 3.939 1.072 367 HA ARG 63 HA ARG 63 -6.823 5.585 1.472 368 HB2 ARG 63 HB2 ARG 63 -7.684 5.872 3.795 369 HB3 ARG 63 HB1 ARG 63 -8.787 6.469 2.564 370 HG2 ARG 63 HG2 ARG 63 -10.311 4.769 2.918 371 HG3 ARG 63 HG1 ARG 63 -9.104 3.700 3.631 372 HD2 ARG 63 HD2 ARG 63 -8.992 5.165 5.601 373 HD3 ARG 63 HD1 ARG 63 -10.233 6.198 4.892 374 HE ARG 63 HE ARG 63 -10.601 3.519 5.997 375 HH11 ARG 63 HH11 ARG 63 -11.980 6.341 4.432 376 HH12 ARG 63 HH12 ARG 63 -13.620 5.890 4.809 377 HH21 ARG 63 HH21 ARG 63 -14.066 3.971 5.975 378 HH22 ARG 63 HH22 ARG 63 -12.772 2.940 6.497 379 H PHE 64 HN PHE 64 -5.199 4.960 2.906 380 HA PHE 64 HA PHE 64 -5.156 2.071 3.469 381 HB2 PHE 64 HB2 PHE 64 -2.762 3.885 3.128 382 HB3 PHE 64 HB1 PHE 64 -2.766 2.127 3.219 383 HD1 PHE 64 HD1 PHE 64 -2.471 4.790 1.049 384 HD2 PHE 64 HD2 PHE 64 -4.414 1.024 1.397 385 HE1 PHE 64 HE1 PHE 64 -2.674 4.672 -1.398 386 HE2 PHE 64 HE2 PHE 64 -4.609 0.893 -1.053 387 HZ PHE 64 HZ PHE 64 -3.739 2.719 -2.453 388 H LEU 65 HN LEU 65 -5.270 1.538 5.529 389 HA LEU 65 HA LEU 65 -4.528 3.563 7.536 390 HB2 LEU 65 HB2 LEU 65 -6.651 1.440 7.528 391 HB3 LEU 65 HB1 LEU 65 -6.060 2.119 9.030 392 HG LEU 65 HG LEU 65 -7.160 3.855 6.837 393 HD11 LEU 65 HD11 LEU 65 -8.651 2.538 9.101 394 HD12 LEU 65 HD12 LEU 65 -8.917 2.299 7.376 395 HD13 LEU 65 HD13 LEU 65 -9.280 3.856 8.117 396 HD21 LEU 65 HD21 LEU 65 -7.494 5.434 8.652 397 HD22 LEU 65 HD22 LEU 65 -5.805 4.934 8.573 398 HD23 LEU 65 HD23 LEU 65 -6.868 4.263 9.811 399 H PHE 66 HN PHE 66 -2.898 3.144 8.820 400 HA PHE 66 HA PHE 66 -2.127 0.354 9.329 401 HB2 PHE 66 HB2 PHE 66 -0.617 1.201 7.603 402 HB3 PHE 66 HB1 PHE 66 -0.267 2.623 8.577 403 HD1 PHE 66 HD1 PHE 66 -0.347 -1.035 9.299 404 HD2 PHE 66 HD2 PHE 66 1.891 2.582 9.327 405 HE1 PHE 66 HE1 PHE 66 1.540 -2.220 10.342 406 HE2 PHE 66 HE2 PHE 66 3.788 1.409 10.369 407 HZ PHE 66 HZ PHE 66 3.614 -0.997 10.880 408 H GLU 67 HN GLU 67 -2.315 0.047 11.419 409 HA GLU 67 HA GLU 67 -2.239 0.284 13.663 410 HB2 GLU 67 HB2 GLU 67 -0.185 2.385 12.973 411 HB3 GLU 67 HB1 GLU 67 -0.537 1.866 14.616 412 HG2 GLU 67 HG2 GLU 67 0.544 0.163 12.381 413 HG3 GLU 67 HG1 GLU 67 1.422 0.726 13.802 414 H GLY 68 HN GLY 68 -4.164 1.809 12.080 415 HA2 GLY 68 HA2 GLY 68 -5.991 3.059 12.830 416 HA3 GLY 68 HA1 GLY 68 -5.048 3.569 14.219 417 H GLN 69 HN GLN 69 -3.083 4.053 11.641 418 HA GLN 69 HA GLN 69 -4.048 6.812 11.303 419 HB2 GLN 69 HB2 GLN 69 -1.234 5.743 11.433 420 HB3 GLN 69 HB1 GLN 69 -1.614 7.364 10.867 421 HG2 GLN 69 HG2 GLN 69 -2.675 7.832 13.048 422 HG3 GLN 69 HG1 GLN 69 -2.169 6.238 13.602 423 HE21 GLN 69 HE21 GLN 69 -1.490 8.913 14.571 424 HE22 GLN 69 HE22 GLN 69 0.235 8.995 14.539 425 H ARG 70 HN ARG 70 -4.150 7.671 9.267 426 HA ARG 70 HA ARG 70 -4.060 5.741 7.104 427 HB2 ARG 70 HB2 ARG 70 -5.028 7.605 5.733 428 HB3 ARG 70 HB1 ARG 70 -6.003 7.126 7.112 429 HG2 ARG 70 HG2 ARG 70 -4.888 9.073 8.339 430 HG3 ARG 70 HG1 ARG 70 -4.380 9.616 6.738 431 HD2 ARG 70 HD2 ARG 70 -7.238 9.007 7.473 432 HD3 ARG 70 HD1 ARG 70 -6.529 10.614 7.583 433 HE ARG 70 HE ARG 70 -6.072 10.295 5.099 434 HH11 ARG 70 HH11 ARG 70 -9.827 8.855 5.314 435 HH12 ARG 70 HH12 ARG 70 -8.834 8.877 6.740 436 HH21 ARG 70 HH21 ARG 70 -9.014 9.647 3.327 437 HH22 ARG 70 HH22 ARG 70 -7.390 10.268 3.235 438 H ILE 71 HN ILE 71 -2.710 5.733 5.416 439 HA ILE 71 HA ILE 71 -0.148 6.922 5.755 440 HB ILE 71 HB ILE 71 -1.218 5.545 3.288 441 HG12 ILE 71 HG12 ILE 71 -1.459 4.120 5.288 442 HG13 ILE 71 HG11 ILE 71 -0.247 3.486 4.185 443 HG21 ILE 71 HG21 ILE 71 0.879 6.884 3.051 444 HG22 ILE 71 HG22 ILE 71 1.058 5.170 2.690 445 HG23 ILE 71 HG23 ILE 71 1.633 5.806 4.229 446 HD11 ILE 71 HD11 ILE 71 0.287 5.022 6.714 447 HD12 ILE 71 HD12 ILE 71 1.516 4.425 5.601 448 HD13 ILE 71 HD13 ILE 71 0.494 3.285 6.477 449 H ALA 72 HN ALA 72 0.600 8.778 5.073 450 HA ALA 72 HA ALA 72 -1.078 10.576 3.564 451 HB1 ALA 72 HB1 ALA 72 1.679 10.909 4.743 452 HB2 ALA 72 HB2 ALA 72 0.156 11.463 5.439 453 HB3 ALA 72 HB3 ALA 72 0.765 12.192 3.953 454 H ASP 73 HN ASP 73 0.323 11.989 1.900 455 HA ASP 73 HA ASP 73 1.102 10.078 -0.154 456 HB2 ASP 73 HB2 ASP 73 0.215 12.908 -0.117 457 HB3 ASP 73 HB1 ASP 73 1.292 12.433 -1.422 458 H ASN 74 HN ASN 74 2.699 11.619 2.249 459 HA ASN 74 HA ASN 74 5.181 11.757 0.670 460 HB2 ASN 74 HB2 ASN 74 5.966 13.572 2.002 461 HB3 ASN 74 HB1 ASN 74 4.324 13.981 1.519 462 HD21 ASN 74 HD21 ASN 74 6.341 14.250 3.978 463 HD22 ASN 74 HD22 ASN 74 5.252 14.140 5.317 464 H HIS 75 HN HIS 75 3.718 9.734 2.542 465 HA HIS 75 HA HIS 75 5.507 9.358 4.737 466 HB2 HIS 75 HB2 HIS 75 3.089 8.076 3.700 467 HB3 HIS 75 HB1 HIS 75 4.234 6.938 4.398 468 HD2 HIS 75 HD2 HIS 75 5.220 8.606 6.972 469 HE1 HIS 75 HE1 HIS 75 1.093 8.850 7.871 470 HE2 HIS 75 HE2 HIS 75 3.439 9.059 8.802 471 H THR 76 HN THR 76 6.930 7.589 5.062 472 HA THR 76 HA THR 76 7.912 6.303 2.600 473 HB THR 76 HB THR 76 10.228 6.464 3.774 474 HG1 THR 76 HG1 THR 76 8.641 8.279 5.240 475 HG21 THR 76 HG21 THR 76 8.992 8.958 2.606 476 HG22 THR 76 HG22 THR 76 9.610 7.601 1.666 477 HG23 THR 76 HG23 THR 76 10.711 8.560 2.656 478 HA PRO 77 HA PRO 77 7.677 2.567 4.969 479 HB2 PRO 77 HB2 PRO 77 9.590 1.047 3.799 480 HB3 PRO 77 HB1 PRO 77 8.060 1.439 2.997 481 HG2 PRO 77 HG2 PRO 77 10.744 2.692 2.635 482 HG3 PRO 77 HG1 PRO 77 9.539 2.244 1.412 483 HD2 PRO 77 HD2 PRO 77 9.845 4.790 2.288 484 HD3 PRO 77 HD1 PRO 77 8.286 4.137 1.752 485 H LYS 78 HN LYS 78 10.221 4.670 5.235 486 HA LYS 78 HA LYS 78 11.838 2.990 6.986 487 HB2 LYS 78 HB2 LYS 78 12.754 4.629 5.213 488 HB3 LYS 78 HB1 LYS 78 12.351 5.889 6.367 489 HG2 LYS 78 HG2 LYS 78 14.702 5.243 6.495 490 HG3 LYS 78 HG1 LYS 78 13.849 4.905 8.001 491 HD2 LYS 78 HD2 LYS 78 13.791 2.585 7.561 492 HD3 LYS 78 HD1 LYS 78 14.255 2.817 5.873 493 HE2 LYS 78 HE2 LYS 78 16.466 3.411 6.472 494 HE3 LYS 78 HE1 LYS 78 16.038 3.579 8.173 495 HZ1 LYS 78 HZ1 LYS 78 15.911 1.008 6.704 496 HZ2 LYS 78 HZ2 LYS 78 15.770 1.246 8.372 497 HZ3 LYS 78 HZ3 LYS 78 17.252 1.506 7.600 498 H GLU 79 HN GLU 79 9.121 4.822 7.294 499 HA GLU 79 HA GLU 79 9.751 5.451 10.102 500 HB2 GLU 79 HB2 GLU 79 8.265 7.370 9.979 501 HB3 GLU 79 HB1 GLU 79 9.522 7.508 8.759 502 HG2 GLU 79 HG2 GLU 79 7.852 6.561 7.122 503 HG3 GLU 79 HG1 GLU 79 6.635 6.788 8.376 504 H LEU 80 HN LEU 80 7.535 5.799 11.314 505 HA LEU 80 HA LEU 80 5.591 4.971 12.129 506 HB2 LEU 80 HB2 LEU 80 5.356 3.734 9.391 507 HB3 LEU 80 HB1 LEU 80 4.134 3.553 10.634 508 HG LEU 80 HG LEU 80 5.022 6.258 9.669 509 HD11 LEU 80 HD11 LEU 80 4.250 5.068 7.716 510 HD12 LEU 80 HD12 LEU 80 3.027 6.236 8.219 511 HD13 LEU 80 HD13 LEU 80 2.811 4.524 8.580 512 HD21 LEU 80 HD21 LEU 80 2.871 6.959 10.560 513 HD22 LEU 80 HD22 LEU 80 3.815 6.146 11.805 514 HD23 LEU 80 HD23 LEU 80 2.495 5.296 11.005 515 H GLY 81 HN GLY 81 7.226 2.435 10.241 516 HA2 GLY 81 HA2 GLY 81 8.438 0.767 11.662 517 HA3 GLY 81 HA1 GLY 81 6.955 0.678 12.602 518 H MET 82 HN MET 82 7.984 0.413 9.206 519 HA MET 82 HA MET 82 5.980 -1.691 8.821 520 HB2 MET 82 HB2 MET 82 7.630 -0.157 6.802 521 HB3 MET 82 HB1 MET 82 6.428 -1.378 6.409 522 HG2 MET 82 HG2 MET 82 4.668 -0.008 7.308 523 HG3 MET 82 HG1 MET 82 5.836 1.183 7.875 524 HE1 MET 82 HE1 MET 82 3.379 2.125 6.203 525 HE2 MET 82 HE2 MET 82 4.143 3.200 5.032 526 HE3 MET 82 HE3 MET 82 4.683 3.203 6.710 527 H GLU 83 HN GLU 83 6.552 -3.771 8.573 528 HA GLU 83 HA GLU 83 9.325 -4.414 7.908 529 HB2 GLU 83 HB2 GLU 83 7.941 -5.032 10.456 530 HB3 GLU 83 HB1 GLU 83 8.885 -6.333 9.748 531 HG2 GLU 83 HG2 GLU 83 10.010 -3.589 10.220 532 HG3 GLU 83 HG1 GLU 83 10.058 -4.866 11.434 533 H GLU 84 HN GLU 84 9.428 -6.999 7.845 534 HA GLU 84 HA GLU 84 7.829 -7.753 5.644 535 HB2 GLU 84 HB2 GLU 84 10.090 -8.644 6.095 536 HB3 GLU 84 HB1 GLU 84 9.463 -9.500 7.495 537 HG2 GLU 84 HG2 GLU 84 9.786 -10.897 5.455 538 HG3 GLU 84 HG1 GLU 84 8.162 -10.945 6.140 539 H GLU 85 HN GLU 85 6.129 -9.191 5.465 540 HA GLU 85 HA GLU 85 4.193 -10.229 6.018 541 HB2 GLU 85 HB2 GLU 85 5.904 -10.839 8.386 542 HB3 GLU 85 HB1 GLU 85 4.190 -11.228 8.463 543 HG2 GLU 85 HG2 GLU 85 5.996 -12.156 6.248 544 HG3 GLU 85 HG1 GLU 85 5.708 -13.079 7.723 545 H ASP 86 HN ASP 86 4.588 -7.373 6.552 546 HA ASP 86 HA ASP 86 3.104 -6.727 8.925 547 HB2 ASP 86 HB2 ASP 86 4.873 -5.300 7.614 548 HB3 ASP 86 HB1 ASP 86 3.486 -4.812 6.647 549 H VAL 87 HN VAL 87 1.036 -5.659 8.946 550 HA VAL 87 HA VAL 87 -0.674 -6.463 6.678 551 HB VAL 87 HB VAL 87 -1.473 -6.293 9.594 552 HG11 VAL 87 HG11 VAL 87 -3.283 -5.741 8.014 553 HG12 VAL 87 HG12 VAL 87 -3.591 -7.236 8.897 554 HG13 VAL 87 HG13 VAL 87 -3.042 -7.297 7.221 555 HG21 VAL 87 HG21 VAL 87 -0.992 -8.695 7.833 556 HG22 VAL 87 HG22 VAL 87 -1.700 -8.748 9.448 557 HG23 VAL 87 HG23 VAL 87 -0.037 -8.204 9.231 558 H ILE 88 HN ILE 88 -1.917 -4.933 5.769 559 HA ILE 88 HA ILE 88 -2.270 -2.386 7.189 560 HB ILE 88 HB ILE 88 -0.420 -2.084 5.608 561 HG12 ILE 88 HG12 ILE 88 -2.833 -0.671 4.483 562 HG13 ILE 88 HG11 ILE 88 -2.182 -0.289 6.073 563 HG21 ILE 88 HG21 ILE 88 -2.407 -2.937 3.516 564 HG22 ILE 88 HG22 ILE 88 -0.917 -3.763 3.974 565 HG23 ILE 88 HG23 ILE 88 -0.845 -2.193 3.175 566 HD11 ILE 88 HD11 ILE 88 -1.339 1.275 4.470 567 HD12 ILE 88 HD12 ILE 88 -0.764 -0.030 3.435 568 HD13 ILE 88 HD13 ILE 88 -0.018 0.241 5.008 569 H GLU 89 HN GLU 89 -4.241 -1.405 6.895 570 HA GLU 89 HA GLU 89 -6.266 -3.045 5.565 571 HB2 GLU 89 HB2 GLU 89 -6.432 -0.825 7.597 572 HB3 GLU 89 HB1 GLU 89 -7.852 -1.470 6.784 573 HG2 GLU 89 HG2 GLU 89 -7.414 -3.665 7.702 574 HG3 GLU 89 HG1 GLU 89 -5.941 -3.072 8.470 575 H VAL 90 HN VAL 90 -7.719 -2.227 4.066 576 HA VAL 90 HA VAL 90 -7.287 0.482 3.076 577 HB VAL 90 HB VAL 90 -5.790 -0.692 1.655 578 HG11 VAL 90 HG11 VAL 90 -7.989 -2.701 1.206 579 HG12 VAL 90 HG12 VAL 90 -6.484 -2.961 2.087 580 HG13 VAL 90 HG13 VAL 90 -6.450 -2.670 0.347 581 HG21 VAL 90 HG21 VAL 90 -6.701 -0.297 -0.513 582 HG22 VAL 90 HG22 VAL 90 -7.380 0.911 0.578 583 HG23 VAL 90 HG23 VAL 90 -8.350 -0.476 0.082 584 H TYR 91 HN TYR 91 -9.174 1.430 2.876 585 HA TYR 91 HA TYR 91 -11.523 -0.143 2.059 586 HB2 TYR 91 HB2 TYR 91 -11.507 1.960 4.241 587 HB3 TYR 91 HB1 TYR 91 -12.921 1.091 3.657 588 HD1 TYR 91 HD1 TYR 91 -13.035 -1.412 4.038 589 HD2 TYR 91 HD2 TYR 91 -10.146 1.067 5.928 590 HE1 TYR 91 HE1 TYR 91 -12.653 -3.157 5.726 591 HE2 TYR 91 HE2 TYR 91 -9.747 -0.673 7.619 592 HH TYR 91 HH TYR 91 -10.273 -2.698 8.346 593 H GLN 92 HN GLN 92 -13.327 1.312 1.293 594 HA GLN 92 HA GLN 92 -12.204 3.277 -0.501 595 HB2 GLN 92 HB2 GLN 92 -14.025 1.668 -1.156 596 HB3 GLN 92 HB1 GLN 92 -15.114 2.577 -0.117 597 HG2 GLN 92 HG2 GLN 92 -14.823 4.552 -1.471 598 HG3 GLN 92 HG1 GLN 92 -13.620 3.730 -2.464 599 HE21 GLN 92 HE21 GLN 92 -16.991 4.021 -1.697 600 HE22 GLN 92 HE22 GLN 92 -17.585 3.153 -3.069 601 H GLU 93 HN GLU 93 -12.337 5.427 -0.366 602 HA GLU 93 HA GLU 93 -13.022 6.621 2.147 603 HB2 GLU 93 HB2 GLU 93 -11.908 7.569 -0.458 604 HB3 GLU 93 HB1 GLU 93 -12.555 8.758 0.664 605 HG2 GLU 93 HG2 GLU 93 -10.493 6.734 1.470 606 HG3 GLU 93 HG1 GLU 93 -10.074 8.304 0.782 607 H GLN 94 HN GLN 94 -14.363 8.671 2.179 608 HA GLN 94 HA GLN 94 -17.013 8.058 1.306 609 HB2 GLN 94 HB2 GLN 94 -16.564 9.227 3.425 610 HB3 GLN 94 HB1 GLN 94 -15.897 10.589 2.535 611 HG2 GLN 94 HG2 GLN 94 -18.199 10.701 1.395 612 HG3 GLN 94 HG1 GLN 94 -18.738 9.675 2.723 613 HE21 GLN 94 HE21 GLN 94 -20.095 11.255 3.543 614 HE22 GLN 94 HE22 GLN 94 -19.498 12.658 4.356 615 H THR 95 HN THR 95 -14.429 10.137 0.211 616 HA THR 95 HA THR 95 -15.904 11.738 -1.583 617 HB THR 95 HB THR 95 -13.511 11.823 -2.720 618 HG1 THR 95 HG1 THR 95 -12.628 11.166 -0.142 619 HG21 THR 95 HG21 THR 95 -14.502 13.688 -1.527 620 HG22 THR 95 HG22 THR 95 -12.824 13.490 -1.023 621 HG23 THR 95 HG23 THR 95 -14.130 12.932 0.022 622 H GLY 96 HN GLY 96 -14.005 8.768 -2.062 623 HA2 GLY 96 HA2 GLY 96 -14.581 7.019 -3.536 624 HA3 GLY 96 HA1 GLY 96 -15.673 8.115 -4.371 625 H GLY 97 HN GLY 97 -12.877 9.768 -3.879 626 HA2 GLY 97 HA2 GLY 97 -11.011 8.801 -5.663 627 HA3 GLY 97 HA1 GLY 97 -12.165 9.696 -6.641 628 H1 ASP 195 HN ASP 195 -5.679 -21.331 -4.834 629 HA ASP 195 HA ASP 195 -8.078 -20.153 -4.357 630 HB2 ASP 195 HB2 ASP 195 -7.027 -20.281 -1.912 631 HB3 ASP 195 HB1 ASP 195 -6.235 -18.797 -2.435 632 H THR 196 HN THR 196 -7.220 -17.393 -3.974 633 HA THR 196 HA THR 196 -5.514 -17.149 -6.366 634 HB THR 196 HB THR 196 -7.245 -14.865 -5.691 635 HG1 THR 196 HG1 THR 196 -8.254 -17.399 -5.973 636 HG21 THR 196 HG21 THR 196 -7.575 -14.873 -8.136 637 HG22 THR 196 HG22 THR 196 -6.643 -16.368 -8.243 638 HG23 THR 196 HG23 THR 196 -5.869 -14.881 -7.699 639 H ALA 197 HN ALA 197 -3.659 -16.201 -6.089 640 HA ALA 197 HA ALA 197 -3.312 -14.267 -3.901 641 HB1 ALA 197 HB1 ALA 197 -0.956 -15.058 -3.742 642 HB2 ALA 197 HB2 ALA 197 -1.356 -16.341 -4.889 643 HB3 ALA 197 HB3 ALA 197 -2.150 -16.287 -3.319 644 H GLY 198 HN GLY 198 -2.478 -12.316 -4.467 645 HA2 GLY 198 HA2 GLY 198 -1.375 -12.171 -7.199 646 HA3 GLY 198 HA1 GLY 198 -2.375 -10.898 -6.513 647 H CYS 199 HN CYS 199 0.645 -11.451 -7.356 648 HA CYS 199 HA CYS 199 1.762 -9.967 -5.060 649 HB2 CYS 199 HB2 CYS 199 3.328 -11.692 -6.991 650 HB3 CYS 199 HB1 CYS 199 3.892 -11.009 -5.469 651 HG CYS 199 HG CYS 199 1.734 -12.662 -4.156 652 H ILE 200 HN ILE 200 2.381 -7.995 -5.497 653 HA ILE 200 HA ILE 200 3.024 -7.261 -8.270 654 HB ILE 200 HB ILE 200 0.872 -6.348 -7.905 655 HG12 ILE 200 HG12 ILE 200 2.806 -4.102 -7.299 656 HG13 ILE 200 HG11 ILE 200 2.532 -4.772 -8.903 657 HG21 ILE 200 HG21 ILE 200 0.872 -6.620 -5.442 658 HG22 ILE 200 HG22 ILE 200 0.193 -5.087 -5.989 659 HG23 ILE 200 HG23 ILE 200 1.821 -5.138 -5.316 660 HD11 ILE 200 HD11 ILE 200 0.576 -3.269 -7.179 661 HD12 ILE 200 HD12 ILE 200 0.130 -4.099 -8.675 662 HD13 ILE 200 HD13 ILE 200 1.276 -2.757 -8.719 663 H VAL 201 HN VAL 201 4.838 -6.105 -8.588 664 HA VAL 201 HA VAL 201 6.243 -5.128 -6.196 665 HB VAL 201 HB VAL 201 7.628 -6.057 -8.715 666 HG11 VAL 201 HG11 VAL 201 9.631 -6.023 -7.332 667 HG12 VAL 201 HG12 VAL 201 8.676 -5.519 -5.939 668 HG13 VAL 201 HG13 VAL 201 8.843 -4.445 -7.326 669 HG21 VAL 201 HG21 VAL 201 7.156 -7.593 -6.159 670 HG22 VAL 201 HG22 VAL 201 8.270 -8.078 -7.435 671 HG23 VAL 201 HG23 VAL 201 6.542 -7.992 -7.766 672 H ILE 202 HN ILE 202 6.880 -3.063 -6.211 673 HA ILE 202 HA ILE 202 6.504 -1.531 -8.707 674 HB ILE 202 HB ILE 202 4.668 -1.036 -7.203 675 HG12 ILE 202 HG12 ILE 202 6.664 1.239 -7.105 676 HG13 ILE 202 HG11 ILE 202 5.642 0.863 -8.492 677 HG21 ILE 202 HG21 ILE 202 6.759 -0.306 -5.162 678 HG22 ILE 202 HG22 ILE 202 5.746 -1.746 -5.119 679 HG23 ILE 202 HG23 ILE 202 5.016 -0.147 -4.969 680 HD11 ILE 202 HD11 ILE 202 5.036 2.595 -6.446 681 HD12 ILE 202 HD12 ILE 202 4.145 1.132 -6.026 682 HD13 ILE 202 HD13 ILE 202 3.892 1.897 -7.593 683 H SEP 203 HN SEP 203 8.223 -0.210 -9.290 684 HA SEP 203 HA SEP 203 10.266 0.179 -7.201 685 HB2 SEP 203 HB1 SEP 203 10.618 -0.335 -10.157 686 HB3 SEP 203 HB2 SEP 203 11.194 -1.323 -8.820 687 H ASP 204 HN ASP 204 10.417 2.149 -6.588 688 HA ASP 204 HA ASP 204 10.464 4.343 -8.512 689 HB2 ASP 204 HB2 ASP 204 8.216 4.085 -7.330 690 HB3 ASP 204 HB1 ASP 204 9.031 4.616 -5.896 691 H SEP 205 HN SEP 205 12.431 5.285 -8.215 692 HA SEP 205 HA SEP 205 13.516 5.322 -5.503 693 HB2 SEP 205 HB1 SEP 205 15.215 5.022 -7.907 694 HB3 SEP 205 HB2 SEP 205 14.560 3.626 -7.046 695 H GLU 206 HN GLU 206 14.465 7.132 -4.763 696 HA GLU 206 HA GLU 206 13.887 9.622 -5.676 697 HB2 GLU 206 HB2 GLU 206 15.022 8.930 -3.495 698 HB3 GLU 206 HB1 GLU 206 16.537 9.011 -4.383 699 HG2 GLU 206 HG2 GLU 206 16.227 11.054 -3.180 700 HG3 GLU 206 HG1 GLU 206 16.063 11.379 -4.904 Start of MODEL 3 1 H1 TYR 21 HN TYR 21 13.705 -7.495 0.185 2 HA TYR 21 HA TYR 21 12.396 -5.224 -0.905 3 HB2 TYR 21 HB2 TYR 21 11.907 -7.909 -2.168 4 HB3 TYR 21 HB1 TYR 21 10.623 -6.707 -2.100 5 HD1 TYR 21 HD1 TYR 21 10.318 -5.606 -4.088 6 HD2 TYR 21 HD2 TYR 21 14.276 -6.666 -2.944 7 HE1 TYR 21 HE1 TYR 21 11.186 -4.570 -6.146 8 HE2 TYR 21 HE2 TYR 21 15.153 -5.632 -4.993 9 HH TYR 21 HH TYR 21 13.214 -3.647 -7.042 10 H ILE 22 HN ILE 22 10.864 -4.658 0.513 11 HA ILE 22 HA ILE 22 10.157 -6.502 2.626 12 HB ILE 22 HB ILE 22 9.167 -3.683 2.160 13 HG12 ILE 22 HG12 ILE 22 11.609 -3.728 2.425 14 HG13 ILE 22 HG11 ILE 22 10.839 -2.992 3.825 15 HG21 ILE 22 HG21 ILE 22 9.095 -5.424 4.621 16 HG22 ILE 22 HG22 ILE 22 7.718 -4.976 3.615 17 HG23 ILE 22 HG23 ILE 22 8.574 -3.741 4.536 18 HD11 ILE 22 HD11 ILE 22 12.016 -5.751 3.625 19 HD12 ILE 22 HD12 ILE 22 11.059 -5.186 4.994 20 HD13 ILE 22 HD13 ILE 22 12.588 -4.398 4.602 21 H LYS 23 HN LYS 23 8.560 -7.900 2.392 22 HA LYS 23 HA LYS 23 6.480 -7.362 0.402 23 HB2 LYS 23 HB2 LYS 23 7.739 -9.511 0.357 24 HB3 LYS 23 HB1 LYS 23 7.051 -9.906 1.925 25 HG2 LYS 23 HG2 LYS 23 4.800 -9.824 0.929 26 HG3 LYS 23 HG1 LYS 23 5.531 -9.495 -0.643 27 HD2 LYS 23 HD2 LYS 23 5.319 -11.759 -0.813 28 HD3 LYS 23 HD1 LYS 23 6.902 -11.689 -0.041 29 HE2 LYS 23 HE2 LYS 23 4.400 -11.838 1.601 30 HE3 LYS 23 HE1 LYS 23 5.103 -13.290 0.897 31 HZ1 LYS 23 HZ1 LYS 23 5.763 -12.540 3.280 32 HZ2 LYS 23 HZ2 LYS 23 6.830 -11.501 2.471 33 HZ3 LYS 23 HZ3 LYS 23 6.935 -13.169 2.238 34 H LEU 24 HN LEU 24 4.814 -6.284 1.153 35 HA LEU 24 HA LEU 24 3.854 -6.759 3.884 36 HB2 LEU 24 HB2 LEU 24 2.929 -4.675 1.905 37 HB3 LEU 24 HB1 LEU 24 2.563 -4.738 3.619 38 HG LEU 24 HG LEU 24 5.354 -4.344 2.549 39 HD11 LEU 24 HD11 LEU 24 5.001 -1.959 3.113 40 HD12 LEU 24 HD12 LEU 24 3.289 -2.304 3.341 41 HD13 LEU 24 HD13 LEU 24 4.028 -2.513 1.754 42 HD21 LEU 24 HD21 LEU 24 5.795 -3.517 4.802 43 HD22 LEU 24 HD22 LEU 24 5.205 -5.178 4.843 44 HD23 LEU 24 HD23 LEU 24 4.125 -3.848 5.258 45 H LYS 25 HN LYS 25 1.436 -6.848 4.135 46 HA LYS 25 HA LYS 25 0.230 -8.250 1.850 47 HB2 LYS 25 HB2 LYS 25 0.098 -8.950 4.776 48 HB3 LYS 25 HB1 LYS 25 -1.054 -9.569 3.601 49 HG2 LYS 25 HG2 LYS 25 0.840 -10.535 2.326 50 HG3 LYS 25 HG1 LYS 25 1.923 -10.014 3.618 51 HD2 LYS 25 HD2 LYS 25 1.375 -12.325 3.956 52 HD3 LYS 25 HD1 LYS 25 0.585 -11.369 5.208 53 HE2 LYS 25 HE2 LYS 25 -1.509 -11.444 3.928 54 HE3 LYS 25 HE1 LYS 25 -0.712 -12.426 2.700 55 HZ1 LYS 25 HZ1 LYS 25 -1.084 -13.192 5.538 56 HZ2 LYS 25 HZ2 LYS 25 -0.348 -14.139 4.348 57 HZ3 LYS 25 HZ3 LYS 25 -1.998 -13.771 4.235 58 H VAL 26 HN VAL 26 -1.313 -7.051 1.049 59 HA VAL 26 HA VAL 26 -2.773 -5.191 2.748 60 HB VAL 26 HB VAL 26 -3.164 -5.608 -0.216 61 HG11 VAL 26 HG11 VAL 26 -4.923 -4.370 0.912 62 HG12 VAL 26 HG12 VAL 26 -3.999 -3.309 -0.150 63 HG13 VAL 26 HG13 VAL 26 -3.732 -3.265 1.593 64 HG21 VAL 26 HG21 VAL 26 -1.212 -3.771 1.165 65 HG22 VAL 26 HG22 VAL 26 -1.627 -3.697 -0.547 66 HG23 VAL 26 HG23 VAL 26 -0.822 -5.125 0.102 67 H ILE 27 HN ILE 27 -4.558 -5.845 3.726 68 HA ILE 27 HA ILE 27 -5.900 -8.258 2.821 69 HB ILE 27 HB ILE 27 -6.598 -6.535 5.200 70 HG12 ILE 27 HG12 ILE 27 -4.293 -7.274 5.440 71 HG13 ILE 27 HG11 ILE 27 -5.319 -8.182 6.545 72 HG21 ILE 27 HG21 ILE 27 -7.695 -8.558 6.032 73 HG22 ILE 27 HG22 ILE 27 -7.257 -9.406 4.549 74 HG23 ILE 27 HG23 ILE 27 -8.372 -8.042 4.487 75 HD11 ILE 27 HD11 ILE 27 -4.195 -9.151 3.929 76 HD12 ILE 27 HD12 ILE 27 -5.305 -10.064 4.951 77 HD13 ILE 27 HD13 ILE 27 -3.699 -9.646 5.548 78 H GLY 28 HN GLY 28 -7.417 -8.122 1.331 79 HA2 GLY 28 HA2 GLY 28 -8.821 -5.633 0.840 80 HA3 GLY 28 HA1 GLY 28 -8.986 -7.129 -0.070 81 H GLN 29 HN GLN 29 -11.174 -5.562 0.632 82 HA GLN 29 HA GLN 29 -12.465 -6.308 3.007 83 HB2 GLN 29 HB2 GLN 29 -13.160 -4.404 1.611 84 HB3 GLN 29 HB1 GLN 29 -13.699 -5.515 0.362 85 HG2 GLN 29 HG2 GLN 29 -15.623 -4.803 1.532 86 HG3 GLN 29 HG1 GLN 29 -15.309 -6.463 2.031 87 HE21 GLN 29 HE21 GLN 29 -14.479 -6.845 4.113 88 HE22 GLN 29 HE22 GLN 29 -14.649 -5.676 5.376 89 H ASP 30 HN ASP 30 -12.130 -7.956 -0.042 90 HA ASP 30 HA ASP 30 -14.151 -9.940 0.685 91 HB2 ASP 30 HB2 ASP 30 -13.838 -10.839 -1.560 92 HB3 ASP 30 HB1 ASP 30 -14.099 -9.101 -1.642 93 H SER 31 HN SER 31 -11.527 -9.601 2.067 94 HA SER 31 HA SER 31 -9.978 -10.899 3.086 95 HB2 SER 31 HB2 SER 31 -11.311 -13.338 1.919 96 HB3 SER 31 HB1 SER 31 -10.442 -13.188 3.446 97 HG SER 31 HG SER 31 -13.063 -12.531 2.814 98 H SER 32 HN SER 32 -9.537 -9.935 0.397 99 HA SER 32 HA SER 32 -8.081 -11.984 -1.011 100 HB2 SER 32 HB2 SER 32 -7.327 -9.684 -2.217 101 HB3 SER 32 HB1 SER 32 -8.848 -10.502 -2.573 102 HG SER 32 HG SER 32 -9.884 -8.871 -1.750 103 H GLU 33 HN GLU 33 -5.981 -12.449 -0.785 104 HA GLU 33 HA GLU 33 -4.411 -10.832 1.087 105 HB2 GLU 33 HB2 GLU 33 -3.788 -13.561 -0.052 106 HB3 GLU 33 HB1 GLU 33 -2.946 -12.758 1.262 107 HG2 GLU 33 HG2 GLU 33 -5.810 -13.066 1.730 108 HG3 GLU 33 HG1 GLU 33 -4.950 -14.593 1.543 109 H ILE 34 HN ILE 34 -3.761 -9.141 -0.226 110 HA ILE 34 HA ILE 34 -2.421 -9.752 -2.743 111 HB ILE 34 HB ILE 34 -2.804 -7.026 -1.514 112 HG12 ILE 34 HG12 ILE 34 -4.995 -8.114 -1.728 113 HG13 ILE 34 HG11 ILE 34 -4.825 -6.801 -2.885 114 HG21 ILE 34 HG21 ILE 34 -2.277 -7.948 -4.332 115 HG22 ILE 34 HG22 ILE 34 -1.169 -7.070 -3.278 116 HG23 ILE 34 HG23 ILE 34 -2.632 -6.283 -3.870 117 HD11 ILE 34 HD11 ILE 34 -4.639 -9.751 -3.438 118 HD12 ILE 34 HD12 ILE 34 -4.269 -8.496 -4.622 119 HD13 ILE 34 HD13 ILE 34 -5.899 -8.635 -3.964 120 H HIS 35 HN HIS 35 -0.319 -10.142 -2.792 121 HA HIS 35 HA HIS 35 1.369 -9.381 -0.542 122 HB2 HIS 35 HB2 HIS 35 2.149 -10.931 -3.026 123 HB3 HIS 35 HB1 HIS 35 3.053 -10.811 -1.522 124 HD2 HIS 35 HD2 HIS 35 0.995 -11.740 0.675 125 HE1 HIS 35 HE1 HIS 35 0.172 -15.008 -1.881 126 HE2 HIS 35 HE2 HIS 35 -0.042 -14.115 0.480 127 H PHE 36 HN PHE 36 1.897 -7.294 -0.630 128 HA PHE 36 HA PHE 36 2.759 -6.141 -3.188 129 HB2 PHE 36 HB2 PHE 36 1.022 -5.161 -1.348 130 HB3 PHE 36 HB1 PHE 36 2.517 -4.411 -0.800 131 HD1 PHE 36 HD1 PHE 36 3.945 -3.543 -3.006 132 HD2 PHE 36 HD2 PHE 36 -0.283 -3.812 -2.615 133 HE1 PHE 36 HE1 PHE 36 3.677 -1.797 -4.705 134 HE2 PHE 36 HE2 PHE 36 -0.556 -2.065 -4.327 135 HZ PHE 36 HZ PHE 36 1.427 -1.057 -5.377 136 H LYS 37 HN LYS 37 4.891 -6.342 -3.517 137 HA LYS 37 HA LYS 37 6.685 -6.181 -1.199 138 HB2 LYS 37 HB2 LYS 37 8.381 -7.213 -2.753 139 HB3 LYS 37 HB1 LYS 37 7.015 -8.236 -2.340 140 HG2 LYS 37 HG2 LYS 37 5.967 -7.536 -4.514 141 HG3 LYS 37 HG1 LYS 37 7.507 -6.780 -4.920 142 HD2 LYS 37 HD2 LYS 37 7.033 -9.706 -4.337 143 HD3 LYS 37 HD1 LYS 37 7.393 -8.987 -5.908 144 HE2 LYS 37 HE2 LYS 37 9.555 -8.161 -4.874 145 HE3 LYS 37 HE1 LYS 37 9.195 -9.221 -3.510 146 HZ1 LYS 37 HZ1 LYS 37 9.484 -10.094 -6.333 147 HZ2 LYS 37 HZ2 LYS 37 9.177 -11.099 -5.010 148 HZ3 LYS 37 HZ3 LYS 37 10.648 -10.283 -5.123 149 H VAL 38 HN VAL 38 7.899 -4.450 -0.927 150 HA VAL 38 HA VAL 38 8.466 -2.733 -3.260 151 HB VAL 38 HB VAL 38 8.147 -1.385 -0.640 152 HG11 VAL 38 HG11 VAL 38 8.816 -0.217 -2.695 153 HG12 VAL 38 HG12 VAL 38 7.316 0.409 -2.014 154 HG13 VAL 38 HG13 VAL 38 7.270 -0.651 -3.423 155 HG21 VAL 38 HG21 VAL 38 6.183 -2.846 -0.638 156 HG22 VAL 38 HG22 VAL 38 5.745 -2.266 -2.245 157 HG23 VAL 38 HG23 VAL 38 5.724 -1.160 -0.872 158 H LYS 39 HN LYS 39 10.491 -1.883 -3.367 159 HA LYS 39 HA LYS 39 12.455 -2.861 -1.450 160 HB2 LYS 39 HB2 LYS 39 12.887 -3.052 -3.874 161 HB3 LYS 39 HB1 LYS 39 12.781 -1.306 -4.026 162 HG2 LYS 39 HG2 LYS 39 14.730 -1.189 -2.408 163 HG3 LYS 39 HG1 LYS 39 14.909 -2.926 -2.667 164 HD2 LYS 39 HD2 LYS 39 16.374 -1.968 -4.220 165 HD3 LYS 39 HD1 LYS 39 14.939 -2.353 -5.171 166 HE2 LYS 39 HE2 LYS 39 14.221 0.073 -4.611 167 HE3 LYS 39 HE1 LYS 39 15.924 0.311 -4.223 168 HZ1 LYS 39 HZ1 LYS 39 14.707 -0.389 -6.829 169 HZ2 LYS 39 HZ2 LYS 39 16.356 -0.643 -6.521 170 HZ3 LYS 39 HZ3 LYS 39 15.721 0.917 -6.451 171 H MET 40 HN MET 40 13.674 -1.543 -0.114 172 HA MET 40 HA MET 40 12.566 0.964 0.635 173 HB2 MET 40 HB2 MET 40 13.795 -0.601 2.171 174 HB3 MET 40 HB1 MET 40 15.286 -0.121 1.375 175 HG2 MET 40 HG2 MET 40 15.045 1.103 3.425 176 HG3 MET 40 HG1 MET 40 14.876 2.206 2.061 177 HE1 MET 40 HE1 MET 40 11.842 -0.223 3.399 178 HE2 MET 40 HE2 MET 40 11.539 0.739 4.846 179 HE3 MET 40 HE3 MET 40 13.121 0.004 4.592 180 H THR 41 HN THR 41 12.581 2.366 -1.018 181 HA THR 41 HA THR 41 14.710 4.081 -1.469 182 HB THR 41 HB THR 41 14.611 1.758 -3.337 183 HG1 THR 41 HG1 THR 41 16.370 2.255 -1.859 184 HG21 THR 41 HG21 THR 41 15.506 3.059 -5.216 185 HG22 THR 41 HG22 THR 41 15.236 4.550 -4.312 186 HG23 THR 41 HG23 THR 41 13.853 3.561 -4.817 187 H THR 42 HN THR 42 12.053 2.411 -3.019 188 HA THR 42 HA THR 42 11.166 4.463 -4.706 189 HB THR 42 HB THR 42 9.259 3.119 -5.083 190 HG1 THR 42 HG1 THR 42 8.548 1.569 -3.538 191 HG21 THR 42 HG21 THR 42 11.481 2.002 -5.569 192 HG22 THR 42 HG22 THR 42 10.105 0.913 -5.396 193 HG23 THR 42 HG23 THR 42 11.259 1.094 -4.076 194 H HIS 43 HN HIS 43 9.672 6.109 -4.385 195 HA HIS 43 HA HIS 43 9.122 6.792 -1.621 196 HB2 HIS 43 HB2 HIS 43 7.828 8.597 -3.451 197 HB3 HIS 43 HB1 HIS 43 9.161 8.916 -2.352 198 HD2 HIS 43 HD2 HIS 43 11.806 8.291 -3.601 199 HE1 HIS 43 HE1 HIS 43 10.207 9.068 -7.437 200 HE2 HIS 43 HE2 HIS 43 12.321 8.768 -6.088 201 H LEU 44 HN LEU 44 7.132 6.712 -0.658 202 HA LEU 44 HA LEU 44 5.305 4.808 -1.587 203 HB2 LEU 44 HB2 LEU 44 5.139 6.841 0.606 204 HB3 LEU 44 HB1 LEU 44 3.830 5.725 0.275 205 HG LEU 44 HG LEU 44 6.584 5.119 1.306 206 HD11 LEU 44 HD11 LEU 44 4.731 5.669 2.861 207 HD12 LEU 44 HD12 LEU 44 5.405 4.057 3.089 208 HD13 LEU 44 HD13 LEU 44 3.861 4.259 2.258 209 HD21 LEU 44 HD21 LEU 44 5.929 2.702 1.098 210 HD22 LEU 44 HD22 LEU 44 6.322 3.503 -0.422 211 HD23 LEU 44 HD23 LEU 44 4.637 3.222 0.018 212 H LYS 45 HN LYS 45 5.603 7.875 -2.774 213 HA LYS 45 HA LYS 45 2.936 8.733 -3.018 214 HB2 LYS 45 HB2 LYS 45 4.866 10.183 -3.475 215 HB3 LYS 45 HB1 LYS 45 5.264 9.217 -4.889 216 HG2 LYS 45 HG2 LYS 45 4.153 11.214 -5.597 217 HG3 LYS 45 HG1 LYS 45 3.079 9.843 -5.873 218 HD2 LYS 45 HD2 LYS 45 1.776 10.384 -3.947 219 HD3 LYS 45 HD1 LYS 45 2.940 11.604 -3.432 220 HE2 LYS 45 HE2 LYS 45 2.447 12.843 -5.548 221 HE3 LYS 45 HE1 LYS 45 1.155 11.685 -5.859 222 HZ1 LYS 45 HZ1 LYS 45 1.349 13.496 -3.517 223 HZ2 LYS 45 HZ2 LYS 45 0.120 12.354 -3.759 224 HZ3 LYS 45 HZ3 LYS 45 0.290 13.664 -4.822 225 H LYS 46 HN LYS 46 4.986 6.908 -5.289 226 HA LYS 46 HA LYS 46 2.876 6.468 -7.151 227 HB2 LYS 46 HB2 LYS 46 5.275 6.495 -7.779 228 HB3 LYS 46 HB1 LYS 46 5.504 4.998 -6.885 229 HG2 LYS 46 HG2 LYS 46 3.924 3.874 -8.400 230 HG3 LYS 46 HG1 LYS 46 3.750 5.375 -9.308 231 HD2 LYS 46 HD2 LYS 46 6.489 4.311 -8.863 232 HD3 LYS 46 HD1 LYS 46 5.469 3.500 -10.054 233 HE2 LYS 46 HE2 LYS 46 5.237 5.472 -11.332 234 HE3 LYS 46 HE1 LYS 46 5.887 6.476 -10.039 235 HZ1 LYS 46 HZ1 LYS 46 7.459 6.045 -11.880 236 HZ2 LYS 46 HZ2 LYS 46 7.450 4.406 -11.470 237 HZ3 LYS 46 HZ3 LYS 46 8.034 5.551 -10.369 238 H LEU 47 HN LEU 47 3.871 4.920 -4.254 239 HA LEU 47 HA LEU 47 3.003 2.298 -4.714 240 HB2 LEU 47 HB2 LEU 47 3.564 3.960 -2.347 241 HB3 LEU 47 HB1 LEU 47 2.452 2.638 -2.072 242 HG LEU 47 HG LEU 47 4.674 1.926 -1.499 243 HD11 LEU 47 HD11 LEU 47 3.856 0.702 -4.115 244 HD12 LEU 47 HD12 LEU 47 3.206 0.279 -2.533 245 HD13 LEU 47 HD13 LEU 47 4.903 -0.027 -2.902 246 HD21 LEU 47 HD21 LEU 47 5.378 3.011 -4.192 247 HD22 LEU 47 HD22 LEU 47 6.358 1.754 -3.440 248 HD23 LEU 47 HD23 LEU 47 6.146 3.307 -2.634 249 H LYS 48 HN LYS 48 1.266 5.174 -3.686 250 HA LYS 48 HA LYS 48 -1.173 3.897 -3.063 251 HB2 LYS 48 HB2 LYS 48 -0.493 6.730 -3.828 252 HB3 LYS 48 HB1 LYS 48 -2.135 6.229 -3.450 253 HG2 LYS 48 HG2 LYS 48 -1.200 5.382 -1.243 254 HG3 LYS 48 HG1 LYS 48 0.256 6.299 -1.643 255 HD2 LYS 48 HD2 LYS 48 -0.961 8.350 -1.699 256 HD3 LYS 48 HD1 LYS 48 -2.505 7.502 -1.592 257 HE2 LYS 48 HE2 LYS 48 -1.782 6.659 0.653 258 HE3 LYS 48 HE1 LYS 48 -0.384 7.729 0.535 259 HZ1 LYS 48 HZ1 LYS 48 -3.235 8.546 0.539 260 HZ2 LYS 48 HZ2 LYS 48 -1.935 9.606 0.305 261 HZ3 LYS 48 HZ3 LYS 48 -2.116 8.792 1.787 262 H GLU 49 HN GLU 49 -0.159 5.651 -6.011 263 HA GLU 49 HA GLU 49 -2.550 5.098 -7.411 264 HB2 GLU 49 HB2 GLU 49 -1.334 5.826 -9.426 265 HB3 GLU 49 HB1 GLU 49 -1.139 6.943 -8.085 266 HG2 GLU 49 HG2 GLU 49 1.066 6.085 -7.643 267 HG3 GLU 49 HG1 GLU 49 0.880 4.870 -8.907 268 H SER 50 HN SER 50 0.399 3.282 -6.991 269 HA SER 50 HA SER 50 0.161 1.502 -9.137 270 HB2 SER 50 HB2 SER 50 1.362 1.122 -6.390 271 HB3 SER 50 HB1 SER 50 1.492 -0.080 -7.674 272 HG SER 50 HG SER 50 2.463 2.591 -7.697 273 H TYR 51 HN TYR 51 -1.211 1.368 -5.866 274 HA TYR 51 HA TYR 51 -2.473 -1.163 -6.306 275 HB2 TYR 51 HB2 TYR 51 -1.834 -0.189 -4.047 276 HB3 TYR 51 HB1 TYR 51 -3.238 0.860 -4.202 277 HD1 TYR 51 HD1 TYR 51 -2.462 -2.782 -4.613 278 HD2 TYR 51 HD2 TYR 51 -5.123 0.159 -3.080 279 HE1 TYR 51 HE1 TYR 51 -3.881 -4.563 -3.683 280 HE2 TYR 51 HE2 TYR 51 -6.552 -1.608 -2.147 281 HH TYR 51 HH TYR 51 -7.028 -3.987 -2.511 282 H CYS 52 HN CYS 52 -3.394 2.193 -6.684 283 HA CYS 52 HA CYS 52 -6.168 1.814 -6.983 284 HB2 CYS 52 HB2 CYS 52 -4.420 3.945 -8.233 285 HB3 CYS 52 HB1 CYS 52 -6.173 4.017 -8.068 286 HG CYS 52 HG CYS 52 -3.935 3.995 -5.474 287 H GLN 53 HN GLN 53 -3.526 1.899 -9.354 288 HA GLN 53 HA GLN 53 -5.187 1.416 -11.614 289 HB2 GLN 53 HB2 GLN 53 -2.219 1.174 -11.143 290 HB3 GLN 53 HB1 GLN 53 -2.957 0.780 -12.690 291 HG2 GLN 53 HG2 GLN 53 -3.718 3.024 -12.976 292 HG3 GLN 53 HG1 GLN 53 -3.217 3.453 -11.339 293 HE21 GLN 53 HE21 GLN 53 -2.438 4.498 -14.016 294 HE22 GLN 53 HE22 GLN 53 -0.711 4.396 -14.052 295 H ARG 54 HN ARG 54 -3.856 -0.565 -9.170 296 HA ARG 54 HA ARG 54 -3.868 -3.034 -10.617 297 HB2 ARG 54 HB2 ARG 54 -2.392 -2.946 -8.775 298 HB3 ARG 54 HB1 ARG 54 -3.629 -2.298 -7.708 299 HG2 ARG 54 HG2 ARG 54 -3.336 -4.508 -7.022 300 HG3 ARG 54 HG1 ARG 54 -4.814 -4.529 -7.986 301 HD2 ARG 54 HD2 ARG 54 -3.354 -5.212 -9.943 302 HD3 ARG 54 HD1 ARG 54 -2.066 -5.475 -8.766 303 HE ARG 54 HE ARG 54 -4.570 -6.815 -8.197 304 HH11 ARG 54 HH11 ARG 54 -1.401 -7.053 -9.665 305 HH12 ARG 54 HH12 ARG 54 -1.378 -8.788 -9.626 306 HH21 ARG 54 HH21 ARG 54 -4.545 -9.094 -8.141 307 HH22 ARG 54 HH22 ARG 54 -3.168 -9.952 -8.758 308 H GLN 55 HN GLN 55 -6.064 -1.402 -8.395 309 HA GLN 55 HA GLN 55 -7.989 -3.549 -8.478 310 HB2 GLN 55 HB2 GLN 55 -8.219 -0.764 -7.327 311 HB3 GLN 55 HB1 GLN 55 -9.366 -2.072 -7.080 312 HG2 GLN 55 HG2 GLN 55 -6.502 -2.018 -6.161 313 HG3 GLN 55 HG1 GLN 55 -7.930 -1.799 -5.150 314 HE21 GLN 55 HE21 GLN 55 -9.304 -3.591 -4.798 315 HE22 GLN 55 HE22 GLN 55 -8.724 -5.208 -4.973 316 H GLY 56 HN GLY 56 -7.610 -0.354 -9.902 317 HA2 GLY 56 HA2 GLY 56 -8.498 0.064 -12.107 318 HA3 GLY 56 HA1 GLY 56 -9.849 -0.994 -11.712 319 H VAL 57 HN VAL 57 -8.488 1.475 -9.638 320 HA VAL 57 HA VAL 57 -10.907 3.112 -9.996 321 HB VAL 57 HB VAL 57 -10.723 3.643 -7.513 322 HG11 VAL 57 HG11 VAL 57 -11.519 0.877 -8.399 323 HG12 VAL 57 HG12 VAL 57 -12.540 2.311 -8.317 324 HG13 VAL 57 HG13 VAL 57 -11.933 1.575 -6.834 325 HG21 VAL 57 HG21 VAL 57 -8.528 2.800 -7.050 326 HG22 VAL 57 HG22 VAL 57 -8.983 1.186 -7.592 327 HG23 VAL 57 HG23 VAL 57 -9.693 1.855 -6.124 328 HA PRO 58 HA PRO 58 -8.108 6.500 -10.400 329 HB2 PRO 58 HB2 PRO 58 -9.485 8.522 -9.195 330 HB3 PRO 58 HB1 PRO 58 -9.887 7.893 -10.799 331 HG2 PRO 58 HG2 PRO 58 -11.155 7.277 -8.170 332 HG3 PRO 58 HG1 PRO 58 -11.918 7.554 -9.749 333 HD2 PRO 58 HD2 PRO 58 -11.569 5.081 -8.745 334 HD3 PRO 58 HD1 PRO 58 -11.484 5.417 -10.486 335 H MET 59 HN MET 59 -6.785 8.031 -9.165 336 HA MET 59 HA MET 59 -5.864 6.880 -6.735 337 HB2 MET 59 HB2 MET 59 -4.462 8.127 -8.422 338 HB3 MET 59 HB1 MET 59 -5.181 9.613 -7.817 339 HG2 MET 59 HG2 MET 59 -4.226 9.261 -5.645 340 HG3 MET 59 HG1 MET 59 -3.635 7.668 -6.118 341 HE1 MET 59 HE1 MET 59 -1.775 9.827 -4.755 342 HE2 MET 59 HE2 MET 59 -0.322 9.720 -5.751 343 HE3 MET 59 HE3 MET 59 -1.185 8.251 -5.285 344 H ASN 60 HN ASN 60 -5.961 7.634 -4.655 345 HA ASN 60 HA ASN 60 -6.629 8.779 -2.814 346 HB2 ASN 60 HB2 ASN 60 -6.578 10.799 -4.631 347 HB3 ASN 60 HB1 ASN 60 -8.275 10.820 -4.160 348 HD21 ASN 60 HD21 ASN 60 -8.828 11.350 -2.049 349 HD22 ASN 60 HD22 ASN 60 -7.705 12.091 -0.960 350 H SER 61 HN SER 61 -8.400 6.952 -4.657 351 HA SER 61 HA SER 61 -11.034 7.590 -3.622 352 HB2 SER 61 HB2 SER 61 -11.745 5.576 -4.908 353 HB3 SER 61 HB1 SER 61 -10.891 6.754 -5.904 354 HG SER 61 HG SER 61 -9.330 5.368 -6.212 355 H LEU 62 HN LEU 62 -8.413 5.402 -2.997 356 HA LEU 62 HA LEU 62 -9.997 4.079 -0.897 357 HB2 LEU 62 HB2 LEU 62 -7.446 3.117 -2.195 358 HB3 LEU 62 HB1 LEU 62 -8.421 2.235 -1.038 359 HG LEU 62 HG LEU 62 -9.347 3.014 -3.807 360 HD11 LEU 62 HD11 LEU 62 -9.034 0.664 -4.382 361 HD12 LEU 62 HD12 LEU 62 -8.369 0.350 -2.779 362 HD13 LEU 62 HD13 LEU 62 -7.506 1.405 -3.900 363 HD21 LEU 62 HD21 LEU 62 -10.549 1.312 -1.636 364 HD22 LEU 62 HD22 LEU 62 -11.092 1.278 -3.313 365 HD23 LEU 62 HD23 LEU 62 -11.224 2.764 -2.375 366 H ARG 63 HN ARG 63 -9.275 4.058 1.181 367 HA ARG 63 HA ARG 63 -6.939 5.756 1.740 368 HB2 ARG 63 HB2 ARG 63 -7.860 6.081 3.982 369 HB3 ARG 63 HB1 ARG 63 -9.014 6.559 2.750 370 HG2 ARG 63 HG2 ARG 63 -10.311 4.572 3.103 371 HG3 ARG 63 HG1 ARG 63 -9.085 3.912 4.187 372 HD2 ARG 63 HD2 ARG 63 -9.483 5.740 5.760 373 HD3 ARG 63 HD1 ARG 63 -10.692 6.419 4.675 374 HE ARG 63 HE ARG 63 -10.958 3.988 6.291 375 HH11 ARG 63 HH11 ARG 63 -12.377 6.334 4.089 376 HH12 ARG 63 HH12 ARG 63 -14.005 5.784 4.379 377 HH21 ARG 63 HH21 ARG 63 -14.416 4.052 5.821 378 HH22 ARG 63 HH22 ARG 63 -13.104 3.266 6.645 379 H PHE 64 HN PHE 64 -5.157 4.881 2.511 380 HA PHE 64 HA PHE 64 -5.163 2.063 3.238 381 HB2 PHE 64 HB2 PHE 64 -2.866 3.998 2.851 382 HB3 PHE 64 HB1 PHE 64 -2.702 2.274 3.167 383 HD1 PHE 64 HD1 PHE 64 -3.092 4.793 0.681 384 HD2 PHE 64 HD2 PHE 64 -3.711 0.660 1.474 385 HE1 PHE 64 HE1 PHE 64 -3.211 4.354 -1.737 386 HE2 PHE 64 HE2 PHE 64 -3.830 0.209 -0.941 387 HZ PHE 64 HZ PHE 64 -3.578 2.060 -2.550 388 H LEU 65 HN LEU 65 -5.201 1.415 5.274 389 HA LEU 65 HA LEU 65 -4.639 3.405 7.371 390 HB2 LEU 65 HB2 LEU 65 -6.313 0.907 7.591 391 HB3 LEU 65 HB1 LEU 65 -6.129 2.156 8.806 392 HG LEU 65 HG LEU 65 -7.368 2.664 6.104 393 HD11 LEU 65 HD11 LEU 65 -8.767 2.091 8.711 394 HD12 LEU 65 HD12 LEU 65 -8.644 0.968 7.358 395 HD13 LEU 65 HD13 LEU 65 -9.524 2.483 7.166 396 HD21 LEU 65 HD21 LEU 65 -8.307 4.633 7.284 397 HD22 LEU 65 HD22 LEU 65 -6.546 4.660 7.174 398 HD23 LEU 65 HD23 LEU 65 -7.329 4.215 8.691 399 H PHE 66 HN PHE 66 -3.020 3.108 8.671 400 HA PHE 66 HA PHE 66 -1.970 0.412 9.150 401 HB2 PHE 66 HB2 PHE 66 -0.616 1.627 7.371 402 HB3 PHE 66 HB1 PHE 66 -0.185 2.795 8.615 403 HD1 PHE 66 HD1 PHE 66 0.036 -0.782 7.690 404 HD2 PHE 66 HD2 PHE 66 1.563 2.367 10.116 405 HE1 PHE 66 HE1 PHE 66 1.903 -2.226 8.383 406 HE2 PHE 66 HE2 PHE 66 3.433 0.928 10.811 407 HZ PHE 66 HZ PHE 66 3.606 -1.370 9.941 408 H GLU 67 HN GLU 67 -2.158 0.121 11.263 409 HA GLU 67 HA GLU 67 -2.087 0.436 13.512 410 HB2 GLU 67 HB2 GLU 67 -0.236 2.630 12.617 411 HB3 GLU 67 HB1 GLU 67 -0.665 2.451 14.313 412 HG2 GLU 67 HG2 GLU 67 0.408 0.129 12.769 413 HG3 GLU 67 HG1 GLU 67 1.493 1.353 13.428 414 H GLY 68 HN GLY 68 -4.151 1.648 11.813 415 HA2 GLY 68 HA2 GLY 68 -6.143 2.699 12.408 416 HA3 GLY 68 HA1 GLY 68 -5.361 3.312 13.854 417 H GLN 69 HN GLN 69 -3.202 4.122 11.628 418 HA GLN 69 HA GLN 69 -4.443 6.752 11.215 419 HB2 GLN 69 HB2 GLN 69 -1.532 5.932 11.229 420 HB3 GLN 69 HB1 GLN 69 -2.109 7.555 10.872 421 HG2 GLN 69 HG2 GLN 69 -3.172 7.581 13.137 422 HG3 GLN 69 HG1 GLN 69 -2.347 6.061 13.471 423 HE21 GLN 69 HE21 GLN 69 -2.080 8.626 14.801 424 HE22 GLN 69 HE22 GLN 69 -0.412 9.066 14.667 425 H ARG 70 HN ARG 70 -4.256 7.792 9.186 426 HA ARG 70 HA ARG 70 -4.278 5.912 6.973 427 HB2 ARG 70 HB2 ARG 70 -5.109 7.811 5.638 428 HB3 ARG 70 HB1 ARG 70 -6.077 7.539 7.079 429 HG2 ARG 70 HG2 ARG 70 -4.786 9.377 8.185 430 HG3 ARG 70 HG1 ARG 70 -4.048 9.714 6.618 431 HD2 ARG 70 HD2 ARG 70 -7.019 9.681 7.086 432 HD3 ARG 70 HD1 ARG 70 -6.037 11.134 7.215 433 HE ARG 70 HE ARG 70 -5.475 10.812 4.841 434 HH11 ARG 70 HH11 ARG 70 -9.122 9.135 4.556 435 HH12 ARG 70 HH12 ARG 70 -8.341 9.226 6.111 436 HH21 ARG 70 HH21 ARG 70 -8.101 9.956 2.704 437 HH22 ARG 70 HH22 ARG 70 -6.527 10.689 2.805 438 H ILE 71 HN ILE 71 -2.838 5.790 5.372 439 HA ILE 71 HA ILE 71 -0.221 6.823 5.776 440 HB ILE 71 HB ILE 71 -1.417 5.455 3.361 441 HG12 ILE 71 HG12 ILE 71 -1.450 4.074 5.385 442 HG13 ILE 71 HG11 ILE 71 -0.294 3.448 4.214 443 HG21 ILE 71 HG21 ILE 71 0.543 6.713 2.703 444 HG22 ILE 71 HG22 ILE 71 0.906 4.986 2.701 445 HG23 ILE 71 HG23 ILE 71 1.471 6.005 4.025 446 HD11 ILE 71 HD11 ILE 71 0.294 4.979 6.734 447 HD12 ILE 71 HD12 ILE 71 1.502 4.623 5.499 448 HD13 ILE 71 HD13 ILE 71 0.708 3.306 6.359 449 H ALA 72 HN ALA 72 0.710 8.621 5.049 450 HA ALA 72 HA ALA 72 -0.892 10.506 3.541 451 HB1 ALA 72 HB1 ALA 72 1.865 10.778 4.731 452 HB2 ALA 72 HB2 ALA 72 0.354 11.308 5.468 453 HB3 ALA 72 HB3 ALA 72 0.933 12.080 3.994 454 H ASP 73 HN ASP 73 -0.031 11.624 1.674 455 HA ASP 73 HA ASP 73 0.929 9.836 -0.310 456 HB2 ASP 73 HB2 ASP 73 0.220 12.725 -0.206 457 HB3 ASP 73 HB1 ASP 73 1.201 12.168 -1.556 458 H ASN 74 HN ASN 74 2.578 11.582 2.032 459 HA ASN 74 HA ASN 74 5.068 11.460 0.460 460 HB2 ASN 74 HB2 ASN 74 5.904 13.362 1.703 461 HB3 ASN 74 HB1 ASN 74 4.345 13.783 1.002 462 HD21 ASN 74 HD21 ASN 74 6.168 13.458 3.856 463 HD22 ASN 74 HD22 ASN 74 4.922 13.892 4.975 464 H HIS 75 HN HIS 75 3.671 9.523 2.342 465 HA HIS 75 HA HIS 75 5.359 9.384 4.659 466 HB2 HIS 75 HB2 HIS 75 3.002 7.997 3.660 467 HB3 HIS 75 HB1 HIS 75 4.174 6.884 4.358 468 HD2 HIS 75 HD2 HIS 75 5.036 9.191 6.738 469 HE1 HIS 75 HE1 HIS 75 1.077 8.333 7.959 470 HE2 HIS 75 HE2 HIS 75 3.307 9.307 8.671 471 H THR 76 HN THR 76 6.588 7.393 5.165 472 HA THR 76 HA THR 76 7.818 6.103 2.837 473 HB THR 76 HB THR 76 9.766 6.628 4.942 474 HG1 THR 76 HG1 THR 76 8.403 8.580 5.041 475 HG21 THR 76 HG21 THR 76 10.370 5.864 2.710 476 HG22 THR 76 HG22 THR 76 11.103 7.433 3.036 477 HG23 THR 76 HG23 THR 76 9.677 7.322 2.003 478 HA PRO 77 HA PRO 77 7.203 2.489 5.352 479 HB2 PRO 77 HB2 PRO 77 9.634 1.300 4.203 480 HB3 PRO 77 HB1 PRO 77 7.950 0.786 4.049 481 HG2 PRO 77 HG2 PRO 77 9.272 1.855 1.987 482 HG3 PRO 77 HG1 PRO 77 7.540 2.140 2.245 483 HD2 PRO 77 HD2 PRO 77 9.855 3.934 2.854 484 HD3 PRO 77 HD1 PRO 77 8.271 4.332 2.155 485 H LYS 78 HN LYS 78 10.024 4.357 5.493 486 HA LYS 78 HA LYS 78 11.489 2.900 7.443 487 HB2 LYS 78 HB2 LYS 78 12.573 4.541 6.005 488 HB3 LYS 78 HB1 LYS 78 11.559 5.820 6.651 489 HG2 LYS 78 HG2 LYS 78 13.813 5.895 7.571 490 HG3 LYS 78 HG1 LYS 78 12.609 5.591 8.824 491 HD2 LYS 78 HD2 LYS 78 14.525 4.165 9.179 492 HD3 LYS 78 HD1 LYS 78 13.140 3.185 8.706 493 HE2 LYS 78 HE2 LYS 78 13.984 2.930 6.487 494 HE3 LYS 78 HE1 LYS 78 15.252 4.117 6.773 495 HZ1 LYS 78 HZ1 LYS 78 15.017 1.444 8.038 496 HZ2 LYS 78 HZ2 LYS 78 16.176 2.602 8.461 497 HZ3 LYS 78 HZ3 LYS 78 16.181 1.929 6.908 498 H GLU 79 HN GLU 79 9.160 5.553 7.563 499 HA GLU 79 HA GLU 79 9.264 5.659 10.453 500 HB2 GLU 79 HB2 GLU 79 7.593 7.454 10.236 501 HB3 GLU 79 HB1 GLU 79 9.012 7.755 9.246 502 HG2 GLU 79 HG2 GLU 79 7.589 6.632 7.373 503 HG3 GLU 79 HG1 GLU 79 6.240 7.058 8.422 504 H LEU 80 HN LEU 80 7.104 5.622 11.633 505 HA LEU 80 HA LEU 80 5.185 4.591 12.282 506 HB2 LEU 80 HB2 LEU 80 5.047 3.585 9.443 507 HB3 LEU 80 HB1 LEU 80 3.793 3.355 10.644 508 HG LEU 80 HG LEU 80 4.720 6.050 9.649 509 HD11 LEU 80 HD11 LEU 80 3.660 4.780 7.861 510 HD12 LEU 80 HD12 LEU 80 2.627 6.104 8.399 511 HD13 LEU 80 HD13 LEU 80 2.277 4.452 8.905 512 HD21 LEU 80 HD21 LEU 80 2.627 6.823 10.716 513 HD22 LEU 80 HD22 LEU 80 3.798 6.179 11.867 514 HD23 LEU 80 HD23 LEU 80 2.407 5.207 11.387 515 H GLY 81 HN GLY 81 7.536 2.716 10.502 516 HA2 GLY 81 HA2 GLY 81 8.662 0.834 11.326 517 HA3 GLY 81 HA1 GLY 81 7.431 0.670 12.573 518 H MET 82 HN MET 82 8.086 0.195 9.145 519 HA MET 82 HA MET 82 5.851 -1.707 9.026 520 HB2 MET 82 HB2 MET 82 7.369 -0.289 6.836 521 HB3 MET 82 HB1 MET 82 6.171 -1.540 6.538 522 HG2 MET 82 HG2 MET 82 4.477 -0.144 7.644 523 HG3 MET 82 HG1 MET 82 5.691 1.112 7.875 524 HE1 MET 82 HE1 MET 82 2.934 1.727 6.473 525 HE2 MET 82 HE2 MET 82 3.462 2.696 5.097 526 HE3 MET 82 HE3 MET 82 4.214 2.926 6.675 527 H GLU 83 HN GLU 83 6.347 -3.765 9.233 528 HA GLU 83 HA GLU 83 9.076 -4.631 8.524 529 HB2 GLU 83 HB2 GLU 83 7.072 -5.819 10.452 530 HB3 GLU 83 HB1 GLU 83 8.602 -6.576 10.024 531 HG2 GLU 83 HG2 GLU 83 8.337 -3.865 11.300 532 HG3 GLU 83 HG1 GLU 83 8.649 -5.363 12.175 533 H GLU 84 HN GLU 84 9.074 -7.090 7.980 534 HA GLU 84 HA GLU 84 7.598 -7.434 5.580 535 HB2 GLU 84 HB2 GLU 84 9.775 -8.448 5.775 536 HB3 GLU 84 HB1 GLU 84 9.306 -9.306 7.234 537 HG2 GLU 84 HG2 GLU 84 9.120 -11.016 5.782 538 HG3 GLU 84 HG1 GLU 84 7.510 -10.337 5.572 539 H GLU 85 HN GLU 85 5.743 -8.559 5.198 540 HA GLU 85 HA GLU 85 3.823 -9.723 5.541 541 HB2 GLU 85 HB2 GLU 85 5.385 -10.746 7.901 542 HB3 GLU 85 HB1 GLU 85 3.723 -11.235 7.611 543 HG2 GLU 85 HG2 GLU 85 5.861 -11.544 5.532 544 HG3 GLU 85 HG1 GLU 85 5.557 -12.766 6.764 545 H ASP 86 HN ASP 86 4.359 -7.006 6.708 546 HA ASP 86 HA ASP 86 2.881 -6.804 9.130 547 HB2 ASP 86 HB2 ASP 86 4.481 -5.084 7.648 548 HB3 ASP 86 HB1 ASP 86 2.874 -4.378 7.511 549 H VAL 87 HN VAL 87 0.800 -5.776 9.399 550 HA VAL 87 HA VAL 87 -1.027 -6.547 7.237 551 HB VAL 87 HB VAL 87 -1.716 -5.926 10.112 552 HG11 VAL 87 HG11 VAL 87 -3.586 -5.650 8.560 553 HG12 VAL 87 HG12 VAL 87 -3.828 -7.056 9.599 554 HG13 VAL 87 HG13 VAL 87 -3.307 -7.274 7.928 555 HG21 VAL 87 HG21 VAL 87 -1.886 -8.350 10.423 556 HG22 VAL 87 HG22 VAL 87 -0.244 -7.864 9.999 557 HG23 VAL 87 HG23 VAL 87 -1.289 -8.602 8.781 558 H ILE 88 HN ILE 88 -1.904 -5.049 6.017 559 HA ILE 88 HA ILE 88 -2.387 -2.377 7.138 560 HB ILE 88 HB ILE 88 -0.445 -2.207 5.674 561 HG12 ILE 88 HG12 ILE 88 -2.885 -1.077 4.289 562 HG13 ILE 88 HG11 ILE 88 -2.118 -0.362 5.702 563 HG21 ILE 88 HG21 ILE 88 -2.186 -3.323 3.487 564 HG22 ILE 88 HG22 ILE 88 -0.885 -4.190 4.302 565 HG23 ILE 88 HG23 ILE 88 -0.520 -2.769 3.324 566 HD11 ILE 88 HD11 ILE 88 -1.379 0.832 3.790 567 HD12 ILE 88 HD12 ILE 88 -0.967 -0.655 2.941 568 HD13 ILE 88 HD13 ILE 88 -0.027 -0.152 4.343 569 H GLU 89 HN GLU 89 -4.347 -1.477 6.651 570 HA GLU 89 HA GLU 89 -6.205 -3.207 5.157 571 HB2 GLU 89 HB2 GLU 89 -6.791 -1.116 7.264 572 HB3 GLU 89 HB1 GLU 89 -7.994 -2.093 6.435 573 HG2 GLU 89 HG2 GLU 89 -7.225 -4.079 7.465 574 HG3 GLU 89 HG1 GLU 89 -5.785 -3.274 8.090 575 H VAL 90 HN VAL 90 -7.818 -2.179 3.828 576 HA VAL 90 HA VAL 90 -7.349 0.580 3.057 577 HB VAL 90 HB VAL 90 -5.833 -0.611 1.575 578 HG11 VAL 90 HG11 VAL 90 -8.225 -2.203 0.662 579 HG12 VAL 90 HG12 VAL 90 -6.899 -2.812 1.655 580 HG13 VAL 90 HG13 VAL 90 -6.594 -2.289 -0.002 581 HG21 VAL 90 HG21 VAL 90 -6.720 0.121 -0.588 582 HG22 VAL 90 HG22 VAL 90 -6.995 1.323 0.674 583 HG23 VAL 90 HG23 VAL 90 -8.321 0.294 0.133 584 H TYR 91 HN TYR 91 -9.220 1.588 2.694 585 HA TYR 91 HA TYR 91 -11.556 0.016 1.855 586 HB2 TYR 91 HB2 TYR 91 -11.459 1.933 4.191 587 HB3 TYR 91 HB1 TYR 91 -12.953 1.346 3.470 588 HD1 TYR 91 HD1 TYR 91 -13.193 -1.265 3.356 589 HD2 TYR 91 HD2 TYR 91 -10.538 0.784 5.969 590 HE1 TYR 91 HE1 TYR 91 -13.128 -3.233 4.828 591 HE2 TYR 91 HE2 TYR 91 -10.464 -1.178 7.449 592 HH TYR 91 HH TYR 91 -11.690 -4.226 6.523 593 H GLN 92 HN GLN 92 -13.316 1.382 1.010 594 HA GLN 92 HA GLN 92 -12.255 3.400 -0.719 595 HB2 GLN 92 HB2 GLN 92 -14.180 1.724 -1.157 596 HB3 GLN 92 HB1 GLN 92 -15.183 2.884 -0.299 597 HG2 GLN 92 HG2 GLN 92 -14.650 4.597 -1.918 598 HG3 GLN 92 HG1 GLN 92 -13.551 3.496 -2.751 599 HE21 GLN 92 HE21 GLN 92 -16.858 4.307 -2.113 600 HE22 GLN 92 HE22 GLN 92 -17.561 3.284 -3.317 601 H GLU 93 HN GLU 93 -12.364 5.558 -0.555 602 HA GLU 93 HA GLU 93 -12.986 6.691 2.002 603 HB2 GLU 93 HB2 GLU 93 -11.892 7.731 -0.574 604 HB3 GLU 93 HB1 GLU 93 -12.492 8.873 0.621 605 HG2 GLU 93 HG2 GLU 93 -10.428 6.773 1.211 606 HG3 GLU 93 HG1 GLU 93 -10.044 8.420 0.718 607 H GLN 94 HN GLN 94 -14.429 8.392 2.425 608 HA GLN 94 HA GLN 94 -17.008 8.035 1.261 609 HB2 GLN 94 HB2 GLN 94 -16.559 8.619 3.661 610 HB3 GLN 94 HB1 GLN 94 -16.080 10.222 3.126 611 HG2 GLN 94 HG2 GLN 94 -18.522 9.991 1.965 612 HG3 GLN 94 HG1 GLN 94 -18.749 9.060 3.445 613 HE21 GLN 94 HE21 GLN 94 -20.152 10.569 4.312 614 HE22 GLN 94 HE22 GLN 94 -19.615 12.108 4.889 615 H THR 95 HN THR 95 -14.320 10.022 0.570 616 HA THR 95 HA THR 95 -15.715 12.183 -0.672 617 HB THR 95 HB THR 95 -13.181 12.175 -1.754 618 HG1 THR 95 HG1 THR 95 -11.858 11.643 0.121 619 HG21 THR 95 HG21 THR 95 -12.699 13.918 -0.157 620 HG22 THR 95 HG22 THR 95 -13.957 13.326 0.927 621 HG23 THR 95 HG23 THR 95 -14.395 14.041 -0.624 622 H GLY 96 HN GLY 96 -14.880 9.002 -1.618 623 HA2 GLY 96 HA2 GLY 96 -15.695 7.953 -3.560 624 HA3 GLY 96 HA1 GLY 96 -15.908 9.531 -4.301 625 H GLY 97 HN GLY 97 -13.478 10.674 -4.120 626 HA2 GLY 97 HA2 GLY 97 -11.114 9.600 -4.471 627 HA3 GLY 97 HA1 GLY 97 -11.901 8.978 -5.915 628 H1 ASP 195 HN ASP 195 -6.552 -21.240 -5.140 629 HA ASP 195 HA ASP 195 -8.210 -19.372 -3.947 630 HB2 ASP 195 HB2 ASP 195 -6.089 -20.287 -2.186 631 HB3 ASP 195 HB1 ASP 195 -5.981 -18.556 -2.488 632 H THR 196 HN THR 196 -6.885 -17.099 -3.854 633 HA THR 196 HA THR 196 -5.294 -17.079 -6.331 634 HB THR 196 HB THR 196 -6.880 -14.712 -5.394 635 HG1 THR 196 HG1 THR 196 -8.704 -15.559 -6.097 636 HG21 THR 196 HG21 THR 196 -6.913 -14.176 -7.788 637 HG22 THR 196 HG22 THR 196 -6.029 -15.662 -8.137 638 HG23 THR 196 HG23 THR 196 -5.260 -14.374 -7.205 639 H ALA 197 HN ALA 197 -3.279 -16.332 -6.139 640 HA ALA 197 HA ALA 197 -2.673 -14.542 -3.872 641 HB1 ALA 197 HB1 ALA 197 -0.369 -15.513 -3.921 642 HB2 ALA 197 HB2 ALA 197 -0.957 -16.718 -5.070 643 HB3 ALA 197 HB3 ALA 197 -1.621 -16.658 -3.438 644 H GLY 198 HN GLY 198 -1.942 -12.609 -4.458 645 HA2 GLY 198 HA2 GLY 198 -0.840 -12.344 -7.184 646 HA3 GLY 198 HA1 GLY 198 -1.920 -11.150 -6.480 647 H CYS 199 HN CYS 199 1.137 -11.484 -7.320 648 HA CYS 199 HA CYS 199 2.087 -9.921 -5.009 649 HB2 CYS 199 HB2 CYS 199 3.781 -11.578 -6.893 650 HB3 CYS 199 HB1 CYS 199 4.330 -10.727 -5.453 651 HG CYS 199 HG CYS 199 2.295 -12.454 -3.983 652 H ILE 200 HN ILE 200 2.600 -7.896 -5.436 653 HA ILE 200 HA ILE 200 3.027 -7.155 -8.249 654 HB ILE 200 HB ILE 200 0.929 -6.272 -7.812 655 HG12 ILE 200 HG12 ILE 200 2.858 -4.061 -7.066 656 HG13 ILE 200 HG11 ILE 200 2.414 -4.538 -8.701 657 HG21 ILE 200 HG21 ILE 200 1.906 -5.507 -5.067 658 HG22 ILE 200 HG22 ILE 200 0.738 -6.765 -5.479 659 HG23 ILE 200 HG23 ILE 200 0.329 -5.066 -5.725 660 HD11 ILE 200 HD11 ILE 200 0.527 -3.415 -6.639 661 HD12 ILE 200 HD12 ILE 200 0.128 -3.833 -8.310 662 HD13 ILE 200 HD13 ILE 200 1.249 -2.513 -7.977 663 H VAL 201 HN VAL 201 4.781 -6.011 -8.726 664 HA VAL 201 HA VAL 201 6.310 -4.871 -6.488 665 HB VAL 201 HB VAL 201 7.535 -6.788 -7.211 666 HG11 VAL 201 HG11 VAL 201 8.306 -7.055 -9.550 667 HG12 VAL 201 HG12 VAL 201 7.275 -5.701 -10.010 668 HG13 VAL 201 HG13 VAL 201 6.556 -7.177 -9.371 669 HG21 VAL 201 HG21 VAL 201 8.859 -4.814 -6.688 670 HG22 VAL 201 HG22 VAL 201 8.779 -4.292 -8.370 671 HG23 VAL 201 HG23 VAL 201 9.643 -5.769 -7.945 672 H ILE 202 HN ILE 202 6.876 -2.857 -6.643 673 HA ILE 202 HA ILE 202 6.554 -1.427 -9.201 674 HB ILE 202 HB ILE 202 4.842 -0.450 -8.009 675 HG12 ILE 202 HG12 ILE 202 7.300 1.030 -7.042 676 HG13 ILE 202 HG11 ILE 202 6.362 1.382 -8.487 677 HG21 ILE 202 HG21 ILE 202 6.430 -0.928 -5.492 678 HG22 ILE 202 HG22 ILE 202 5.031 -1.845 -6.052 679 HG23 ILE 202 HG23 ILE 202 4.843 -0.162 -5.549 680 HD11 ILE 202 HD11 ILE 202 6.108 2.606 -6.052 681 HD12 ILE 202 HD12 ILE 202 4.769 1.458 -6.057 682 HD13 ILE 202 HD13 ILE 202 4.923 2.638 -7.354 683 H SEP 203 HN SEP 203 8.345 -0.255 -9.827 684 HA SEP 203 HA SEP 203 10.457 -0.052 -7.782 685 HB2 SEP 203 HB1 SEP 203 10.845 -0.196 -10.767 686 HB3 SEP 203 HB2 SEP 203 10.804 -1.627 -9.740 687 H ASP 204 HN ASP 204 10.807 1.886 -7.145 688 HA ASP 204 HA ASP 204 10.763 4.077 -9.063 689 HB2 ASP 204 HB2 ASP 204 8.721 3.819 -7.384 690 HB3 ASP 204 HB1 ASP 204 9.811 4.702 -6.352 691 H SEP 205 HN SEP 205 12.514 5.417 -8.915 692 HA SEP 205 HA SEP 205 14.117 5.151 -6.471 693 HB2 SEP 205 HB1 SEP 205 15.818 5.879 -8.542 694 HB3 SEP 205 HB2 SEP 205 14.822 4.555 -9.146 695 H GLU 206 HN GLU 206 14.703 6.996 -5.470 696 HA GLU 206 HA GLU 206 13.949 9.524 -6.676 697 HB2 GLU 206 HB2 GLU 206 13.326 9.132 -4.367 698 HB3 GLU 206 HB1 GLU 206 15.004 8.845 -3.933 699 HG2 GLU 206 HG2 GLU 206 14.425 11.026 -3.218 700 HG3 GLU 206 HG1 GLU 206 15.512 11.178 -4.596 Start of MODEL 4 1 H1 TYR 21 HN TYR 21 13.499 -7.367 0.292 2 HA TYR 21 HA TYR 21 11.947 -5.325 -0.819 3 HB2 TYR 21 HB2 TYR 21 11.718 -7.998 -2.143 4 HB3 TYR 21 HB1 TYR 21 10.262 -7.027 -1.937 5 HD1 TYR 21 HD1 TYR 21 9.749 -5.347 -3.477 6 HD2 TYR 21 HD2 TYR 21 13.713 -6.892 -3.331 7 HE1 TYR 21 HE1 TYR 21 10.318 -4.066 -5.494 8 HE2 TYR 21 HE2 TYR 21 14.292 -5.613 -5.349 9 HH TYR 21 HH TYR 21 12.068 -3.280 -6.741 10 H ILE 22 HN ILE 22 10.210 -4.965 0.445 11 HA ILE 22 HA ILE 22 9.681 -6.923 2.566 12 HB ILE 22 HB ILE 22 9.025 -3.977 2.359 13 HG12 ILE 22 HG12 ILE 22 11.378 -4.593 2.918 14 HG13 ILE 22 HG11 ILE 22 10.568 -3.701 4.200 15 HG21 ILE 22 HG21 ILE 22 8.328 -5.889 4.586 16 HG22 ILE 22 HG22 ILE 22 7.191 -5.138 3.466 17 HG23 ILE 22 HG23 ILE 22 8.089 -4.143 4.613 18 HD11 ILE 22 HD11 ILE 22 10.820 -6.694 4.173 19 HD12 ILE 22 HD12 ILE 22 10.319 -5.661 5.513 20 HD13 ILE 22 HD13 ILE 22 11.989 -5.621 4.940 21 H LYS 23 HN LYS 23 7.942 -8.158 2.386 22 HA LYS 23 HA LYS 23 5.883 -7.392 0.453 23 HB2 LYS 23 HB2 LYS 23 6.948 -9.641 0.336 24 HB3 LYS 23 HB1 LYS 23 6.242 -10.013 1.903 25 HG2 LYS 23 HG2 LYS 23 4.008 -9.361 0.703 26 HG3 LYS 23 HG1 LYS 23 4.934 -9.738 -0.752 27 HD2 LYS 23 HD2 LYS 23 3.914 -11.767 -0.185 28 HD3 LYS 23 HD1 LYS 23 5.558 -11.920 0.438 29 HE2 LYS 23 HE2 LYS 23 3.742 -10.728 2.365 30 HE3 LYS 23 HE1 LYS 23 3.223 -12.332 1.851 31 HZ1 LYS 23 HZ1 LYS 23 4.639 -12.534 3.740 32 HZ2 LYS 23 HZ2 LYS 23 5.861 -11.602 3.011 33 HZ3 LYS 23 HZ3 LYS 23 5.474 -13.131 2.389 34 H LEU 24 HN LEU 24 4.239 -6.296 1.186 35 HA LEU 24 HA LEU 24 3.367 -6.587 3.961 36 HB2 LEU 24 HB2 LEU 24 2.369 -4.662 1.859 37 HB3 LEU 24 HB1 LEU 24 2.084 -4.577 3.586 38 HG LEU 24 HG LEU 24 4.852 -4.369 2.425 39 HD11 LEU 24 HD11 LEU 24 2.964 -2.097 3.030 40 HD12 LEU 24 HD12 LEU 24 3.423 -2.633 1.414 41 HD13 LEU 24 HD13 LEU 24 4.640 -1.960 2.498 42 HD21 LEU 24 HD21 LEU 24 5.323 -3.248 4.541 43 HD22 LEU 24 HD22 LEU 24 4.674 -4.865 4.815 44 HD23 LEU 24 HD23 LEU 24 3.641 -3.452 5.031 45 H LYS 25 HN LYS 25 1.303 -7.262 4.518 46 HA LYS 25 HA LYS 25 -0.100 -8.716 2.394 47 HB2 LYS 25 HB2 LYS 25 -0.230 -8.950 5.398 48 HB3 LYS 25 HB1 LYS 25 -1.281 -9.837 4.306 49 HG2 LYS 25 HG2 LYS 25 0.765 -10.828 3.272 50 HG3 LYS 25 HG1 LYS 25 1.708 -10.068 4.555 51 HD2 LYS 25 HD2 LYS 25 1.292 -12.309 5.232 52 HD3 LYS 25 HD1 LYS 25 0.243 -11.279 6.205 53 HE2 LYS 25 HE2 LYS 25 -1.636 -11.782 4.727 54 HE3 LYS 25 HE1 LYS 25 -0.591 -12.786 3.725 55 HZ1 LYS 25 HZ1 LYS 25 -1.098 -13.312 6.598 56 HZ2 LYS 25 HZ2 LYS 25 -0.337 -14.334 5.490 57 HZ3 LYS 25 HZ3 LYS 25 -1.995 -14.018 5.348 58 H VAL 26 HN VAL 26 -1.466 -7.328 1.424 59 HA VAL 26 HA VAL 26 -3.040 -5.445 2.967 60 HB VAL 26 HB VAL 26 -3.514 -6.077 0.067 61 HG11 VAL 26 HG11 VAL 26 -5.069 -4.587 1.252 62 HG12 VAL 26 HG12 VAL 26 -4.210 -3.767 -0.055 63 HG13 VAL 26 HG13 VAL 26 -3.724 -3.506 1.623 64 HG21 VAL 26 HG21 VAL 26 -1.330 -4.305 1.165 65 HG22 VAL 26 HG22 VAL 26 -1.842 -4.348 -0.522 66 HG23 VAL 26 HG23 VAL 26 -1.119 -5.776 0.217 67 H ILE 27 HN ILE 27 -4.645 -6.292 4.129 68 HA ILE 27 HA ILE 27 -6.045 -8.668 3.217 69 HB ILE 27 HB ILE 27 -6.580 -7.072 5.725 70 HG12 ILE 27 HG12 ILE 27 -4.232 -7.763 5.702 71 HG13 ILE 27 HG11 ILE 27 -5.132 -8.694 6.893 72 HG21 ILE 27 HG21 ILE 27 -7.551 -9.162 6.545 73 HG22 ILE 27 HG22 ILE 27 -7.197 -9.936 5.001 74 HG23 ILE 27 HG23 ILE 27 -8.357 -8.611 5.078 75 HD11 ILE 27 HD11 ILE 27 -4.287 -9.632 4.160 76 HD12 ILE 27 HD12 ILE 27 -5.234 -10.569 5.313 77 HD13 ILE 27 HD13 ILE 27 -3.579 -10.107 5.704 78 H GLY 28 HN GLY 28 -7.612 -8.412 1.776 79 HA2 GLY 28 HA2 GLY 28 -9.119 -5.956 1.602 80 HA3 GLY 28 HA1 GLY 28 -9.324 -7.383 0.595 81 H GLN 29 HN GLN 29 -11.446 -5.870 1.632 82 HA GLN 29 HA GLN 29 -12.560 -6.906 4.001 83 HB2 GLN 29 HB2 GLN 29 -13.232 -4.795 2.826 84 HB3 GLN 29 HB1 GLN 29 -14.017 -5.778 1.606 85 HG2 GLN 29 HG2 GLN 29 -15.687 -4.999 3.094 86 HG3 GLN 29 HG1 GLN 29 -15.467 -6.720 3.392 87 HE21 GLN 29 HE21 GLN 29 -14.908 -7.389 5.371 88 HE22 GLN 29 HE22 GLN 29 -14.596 -6.344 6.713 89 H ASP 30 HN ASP 30 -12.512 -8.059 0.723 90 HA ASP 30 HA ASP 30 -14.513 -10.109 1.278 91 HB2 ASP 30 HB2 ASP 30 -14.167 -10.675 -1.165 92 HB3 ASP 30 HB1 ASP 30 -14.807 -9.068 -0.842 93 H SER 31 HN SER 31 -11.715 -10.048 2.423 94 HA SER 31 HA SER 31 -10.251 -11.605 3.166 95 HB2 SER 31 HB2 SER 31 -11.906 -13.602 1.617 96 HB3 SER 31 HB1 SER 31 -10.702 -13.983 2.849 97 HG SER 31 HG SER 31 -13.268 -12.899 3.122 98 H SER 32 HN SER 32 -10.079 -10.335 0.360 99 HA SER 32 HA SER 32 -8.376 -12.187 -1.090 100 HB2 SER 32 HB2 SER 32 -8.011 -9.792 -2.312 101 HB3 SER 32 HB1 SER 32 -9.398 -10.835 -2.636 102 HG SER 32 HG SER 32 -10.615 -9.312 -1.876 103 H GLU 33 HN GLU 33 -6.219 -12.384 -0.751 104 HA GLU 33 HA GLU 33 -4.924 -10.370 0.948 105 HB2 GLU 33 HB2 GLU 33 -4.109 -13.190 0.240 106 HB3 GLU 33 HB1 GLU 33 -3.132 -12.092 1.207 107 HG2 GLU 33 HG2 GLU 33 -5.173 -11.932 2.745 108 HG3 GLU 33 HG1 GLU 33 -5.763 -13.354 1.886 109 H ILE 34 HN ILE 34 -3.828 -8.844 -0.062 110 HA ILE 34 HA ILE 34 -2.680 -9.410 -2.703 111 HB ILE 34 HB ILE 34 -2.648 -6.689 -1.455 112 HG12 ILE 34 HG12 ILE 34 -4.985 -7.634 -1.254 113 HG13 ILE 34 HG11 ILE 34 -4.855 -6.172 -2.223 114 HG21 ILE 34 HG21 ILE 34 -2.893 -7.644 -4.300 115 HG22 ILE 34 HG22 ILE 34 -1.425 -7.058 -3.523 116 HG23 ILE 34 HG23 ILE 34 -2.781 -5.964 -3.780 117 HD11 ILE 34 HD11 ILE 34 -5.056 -8.974 -3.303 118 HD12 ILE 34 HD12 ILE 34 -4.973 -7.496 -4.260 119 HD13 ILE 34 HD13 ILE 34 -6.367 -7.800 -3.222 120 H HIS 35 HN HIS 35 -0.580 -9.650 -2.982 121 HA HIS 35 HA HIS 35 1.224 -9.320 -0.709 122 HB2 HIS 35 HB2 HIS 35 1.516 -10.673 -3.399 123 HB3 HIS 35 HB1 HIS 35 2.862 -10.465 -2.289 124 HD2 HIS 35 HD2 HIS 35 -0.745 -12.068 -1.888 125 HE1 HIS 35 HE1 HIS 35 2.194 -14.492 -0.053 126 HE2 HIS 35 HE2 HIS 35 -0.272 -14.259 -0.570 127 H PHE 36 HN PHE 36 1.572 -7.121 -0.621 128 HA PHE 36 HA PHE 36 2.464 -5.766 -3.049 129 HB2 PHE 36 HB2 PHE 36 0.819 -4.913 -1.091 130 HB3 PHE 36 HB1 PHE 36 2.351 -4.311 -0.468 131 HD1 PHE 36 HD1 PHE 36 3.598 -3.766 -3.211 132 HD2 PHE 36 HD2 PHE 36 -0.197 -2.848 -1.532 133 HE1 PHE 36 HE1 PHE 36 3.413 -1.826 -4.705 134 HE2 PHE 36 HE2 PHE 36 -0.392 -0.902 -3.021 135 HZ PHE 36 HZ PHE 36 1.411 -0.391 -4.616 136 H LYS 37 HN LYS 37 4.551 -6.162 -3.471 137 HA LYS 37 HA LYS 37 6.447 -6.271 -1.245 138 HB2 LYS 37 HB2 LYS 37 8.056 -6.991 -3.127 139 HB3 LYS 37 HB1 LYS 37 6.814 -8.123 -2.609 140 HG2 LYS 37 HG2 LYS 37 5.423 -7.310 -4.544 141 HG3 LYS 37 HG1 LYS 37 6.855 -6.444 -5.103 142 HD2 LYS 37 HD2 LYS 37 6.640 -9.417 -4.652 143 HD3 LYS 37 HD1 LYS 37 6.631 -8.602 -6.216 144 HE2 LYS 37 HE2 LYS 37 8.891 -7.767 -5.796 145 HE3 LYS 37 HE1 LYS 37 8.893 -8.562 -4.222 146 HZ1 LYS 37 HZ1 LYS 37 8.609 -9.977 -6.814 147 HZ2 LYS 37 HZ2 LYS 37 8.784 -10.684 -5.290 148 HZ3 LYS 37 HZ3 LYS 37 10.064 -9.814 -5.969 149 H VAL 38 HN VAL 38 7.354 -4.476 -0.663 150 HA VAL 38 HA VAL 38 7.843 -2.387 -2.684 151 HB VAL 38 HB VAL 38 7.801 -0.758 -0.893 152 HG11 VAL 38 HG11 VAL 38 5.664 -1.533 -1.929 153 HG12 VAL 38 HG12 VAL 38 5.486 -0.843 -0.315 154 HG13 VAL 38 HG13 VAL 38 5.438 -2.593 -0.537 155 HG21 VAL 38 HG21 VAL 38 8.801 -2.120 0.877 156 HG22 VAL 38 HG22 VAL 38 7.324 -3.079 0.978 157 HG23 VAL 38 HG23 VAL 38 7.299 -1.370 1.418 158 H LYS 39 HN LYS 39 9.740 -0.941 -2.094 159 HA LYS 39 HA LYS 39 11.948 -2.471 -0.914 160 HB2 LYS 39 HB2 LYS 39 12.026 -2.683 -3.393 161 HB3 LYS 39 HB1 LYS 39 12.132 -0.933 -3.511 162 HG2 LYS 39 HG2 LYS 39 14.271 -0.911 -2.468 163 HG3 LYS 39 HG1 LYS 39 14.139 -2.615 -2.033 164 HD2 LYS 39 HD2 LYS 39 15.598 -2.410 -3.934 165 HD3 LYS 39 HD1 LYS 39 14.096 -3.176 -4.452 166 HE2 LYS 39 HE2 LYS 39 13.393 -0.720 -5.007 167 HE3 LYS 39 HE1 LYS 39 15.130 -0.439 -5.017 168 HZ1 LYS 39 HZ1 LYS 39 13.865 -1.147 -7.179 169 HZ2 LYS 39 HZ2 LYS 39 14.081 -2.707 -6.548 170 HZ3 LYS 39 HZ3 LYS 39 15.423 -1.725 -6.855 171 H MET 40 HN MET 40 13.374 -1.309 0.264 172 HA MET 40 HA MET 40 12.605 1.262 1.169 173 HB2 MET 40 HB2 MET 40 13.788 -0.387 2.578 174 HB3 MET 40 HB1 MET 40 15.229 -0.182 1.588 175 HG2 MET 40 HG2 MET 40 15.352 1.085 3.676 176 HG3 MET 40 HG1 MET 40 15.404 2.132 2.259 177 HE1 MET 40 HE1 MET 40 12.261 0.360 3.891 178 HE2 MET 40 HE2 MET 40 11.745 1.617 5.015 179 HE3 MET 40 HE3 MET 40 13.297 0.811 5.244 180 H THR 41 HN THR 41 12.594 2.739 -0.403 181 HA THR 41 HA THR 41 14.616 4.422 -0.950 182 HB THR 41 HB THR 41 15.625 2.271 -2.090 183 HG1 THR 41 HG1 THR 41 15.650 4.588 -3.717 184 HG21 THR 41 HG21 THR 41 14.103 1.470 -3.602 185 HG22 THR 41 HG22 THR 41 15.004 2.562 -4.653 186 HG23 THR 41 HG23 THR 41 13.449 3.070 -3.977 187 H THR 42 HN THR 42 11.865 2.713 -1.986 188 HA THR 42 HA THR 42 11.016 4.547 -4.007 189 HB THR 42 HB THR 42 8.997 3.158 -4.086 190 HG1 THR 42 HG1 THR 42 10.111 1.725 -1.869 191 HG21 THR 42 HG21 THR 42 11.375 2.408 -4.934 192 HG22 THR 42 HG22 THR 42 10.006 1.296 -4.993 193 HG23 THR 42 HG23 THR 42 11.188 1.168 -3.690 194 H HIS 43 HN HIS 43 9.350 6.054 -3.895 195 HA HIS 43 HA HIS 43 8.769 7.139 -1.261 196 HB2 HIS 43 HB2 HIS 43 7.812 8.011 -4.008 197 HB3 HIS 43 HB1 HIS 43 7.531 8.888 -2.519 198 HD2 HIS 43 HD2 HIS 43 11.163 8.065 -2.276 199 HE1 HIS 43 HE1 HIS 43 10.954 11.545 -4.626 200 HE2 HIS 43 HE2 HIS 43 12.399 10.178 -3.076 201 H LEU 44 HN LEU 44 6.673 7.058 -0.289 202 HA LEU 44 HA LEU 44 5.016 4.920 -1.206 203 HB2 LEU 44 HB2 LEU 44 4.639 6.917 1.014 204 HB3 LEU 44 HB1 LEU 44 3.433 5.710 0.614 205 HG LEU 44 HG LEU 44 6.215 5.233 1.668 206 HD11 LEU 44 HD11 LEU 44 4.408 5.839 3.274 207 HD12 LEU 44 HD12 LEU 44 5.105 4.243 3.540 208 HD13 LEU 44 HD13 LEU 44 3.535 4.397 2.756 209 HD21 LEU 44 HD21 LEU 44 5.605 2.820 1.568 210 HD22 LEU 44 HD22 LEU 44 5.861 3.569 -0.005 211 HD23 LEU 44 HD23 LEU 44 4.223 3.267 0.569 212 H LYS 45 HN LYS 45 5.277 8.095 -2.143 213 HA LYS 45 HA LYS 45 2.635 8.880 -2.655 214 HB2 LYS 45 HB2 LYS 45 4.512 10.427 -2.828 215 HB3 LYS 45 HB1 LYS 45 5.184 9.506 -4.164 216 HG2 LYS 45 HG2 LYS 45 4.140 11.429 -5.080 217 HG3 LYS 45 HG1 LYS 45 3.114 10.044 -5.466 218 HD2 LYS 45 HD2 LYS 45 1.687 10.611 -3.530 219 HD3 LYS 45 HD1 LYS 45 2.688 12.035 -3.240 220 HE2 LYS 45 HE2 LYS 45 2.091 12.883 -5.471 221 HE3 LYS 45 HE1 LYS 45 1.073 11.465 -5.727 222 HZ1 LYS 45 HZ1 LYS 45 0.691 13.615 -3.722 223 HZ2 LYS 45 HZ2 LYS 45 -0.187 12.163 -3.710 224 HZ3 LYS 45 HZ3 LYS 45 -0.317 13.226 -5.025 225 H LYS 46 HN LYS 46 4.966 7.130 -4.648 226 HA LYS 46 HA LYS 46 3.145 6.740 -6.828 227 HB2 LYS 46 HB2 LYS 46 5.708 6.835 -6.896 228 HB3 LYS 46 HB1 LYS 46 5.668 5.184 -6.309 229 HG2 LYS 46 HG2 LYS 46 4.651 4.393 -8.280 230 HG3 LYS 46 HG1 LYS 46 4.227 6.025 -8.805 231 HD2 LYS 46 HD2 LYS 46 7.084 5.188 -8.425 232 HD3 LYS 46 HD1 LYS 46 6.228 4.886 -9.938 233 HE2 LYS 46 HE2 LYS 46 5.939 7.178 -10.361 234 HE3 LYS 46 HE1 LYS 46 6.317 7.616 -8.698 235 HZ1 LYS 46 HZ1 LYS 46 8.159 8.145 -10.129 236 HZ2 LYS 46 HZ2 LYS 46 8.227 6.557 -10.711 237 HZ3 LYS 46 HZ3 LYS 46 8.608 6.882 -9.090 238 H LEU 47 HN LEU 47 3.895 5.114 -3.887 239 HA LEU 47 HA LEU 47 3.094 2.494 -4.511 240 HB2 LEU 47 HB2 LEU 47 3.527 4.072 -2.064 241 HB3 LEU 47 HB1 LEU 47 2.403 2.746 -1.885 242 HG LEU 47 HG LEU 47 4.639 2.086 -1.209 243 HD11 LEU 47 HD11 LEU 47 4.923 0.199 -2.978 244 HD12 LEU 47 HD12 LEU 47 3.385 0.812 -3.586 245 HD13 LEU 47 HD13 LEU 47 3.509 0.236 -1.925 246 HD21 LEU 47 HD21 LEU 47 6.093 3.449 -2.439 247 HD22 LEU 47 HD22 LEU 47 5.388 2.963 -3.978 248 HD23 LEU 47 HD23 LEU 47 6.372 1.822 -3.060 249 H LYS 48 HN LYS 48 1.293 5.215 -3.148 250 HA LYS 48 HA LYS 48 -1.146 3.878 -2.789 251 HB2 LYS 48 HB2 LYS 48 -0.650 6.818 -3.272 252 HB3 LYS 48 HB1 LYS 48 -2.130 6.122 -2.627 253 HG2 LYS 48 HG2 LYS 48 -0.889 5.292 -0.682 254 HG3 LYS 48 HG1 LYS 48 0.589 6.000 -1.331 255 HD2 LYS 48 HD2 LYS 48 -0.238 7.519 0.296 256 HD3 LYS 48 HD1 LYS 48 -0.579 8.229 -1.283 257 HE2 LYS 48 HE2 LYS 48 -2.877 7.579 -1.152 258 HE3 LYS 48 HE1 LYS 48 -2.580 6.625 0.300 259 HZ1 LYS 48 HZ1 LYS 48 -3.623 8.815 0.716 260 HZ2 LYS 48 HZ2 LYS 48 -2.212 9.570 0.149 261 HZ3 LYS 48 HZ3 LYS 48 -2.160 8.596 1.541 262 H GLU 49 HN GLU 49 0.051 5.735 -5.588 263 HA GLU 49 HA GLU 49 -2.432 5.497 -6.983 264 HB2 GLU 49 HB2 GLU 49 -1.023 6.220 -8.992 265 HB3 GLU 49 HB1 GLU 49 -1.176 7.349 -7.653 266 HG2 GLU 49 HG2 GLU 49 1.012 7.009 -6.954 267 HG3 GLU 49 HG1 GLU 49 1.162 5.493 -7.843 268 H SER 50 HN SER 50 0.609 3.681 -7.062 269 HA SER 50 HA SER 50 0.082 2.133 -9.327 270 HB2 SER 50 HB2 SER 50 1.649 1.369 -6.854 271 HB3 SER 50 HB1 SER 50 1.717 0.528 -8.403 272 HG SER 50 HG SER 50 2.657 3.093 -7.715 273 H TYR 51 HN TYR 51 -0.969 1.690 -5.983 274 HA TYR 51 HA TYR 51 -2.009 -0.923 -6.324 275 HB2 TYR 51 HB2 TYR 51 -1.559 0.174 -4.109 276 HB3 TYR 51 HB1 TYR 51 -2.975 1.182 -4.380 277 HD1 TYR 51 HD1 TYR 51 -1.924 -2.384 -4.108 278 HD2 TYR 51 HD2 TYR 51 -5.094 0.433 -3.714 279 HE1 TYR 51 HE1 TYR 51 -3.353 -4.131 -3.131 280 HE2 TYR 51 HE2 TYR 51 -6.526 -1.308 -2.738 281 HH TYR 51 HH TYR 51 -6.609 -3.909 -2.879 282 H CYS 52 HN CYS 52 -3.453 2.302 -6.520 283 HA CYS 52 HA CYS 52 -6.082 1.504 -7.060 284 HB2 CYS 52 HB2 CYS 52 -4.723 4.017 -8.044 285 HB3 CYS 52 HB1 CYS 52 -6.452 3.773 -7.802 286 HG CYS 52 HG CYS 52 -4.018 4.235 -5.476 287 H GLN 53 HN GLN 53 -3.301 1.983 -9.150 288 HA GLN 53 HA GLN 53 -4.613 1.866 -11.633 289 HB2 GLN 53 HB2 GLN 53 -1.799 1.091 -10.852 290 HB3 GLN 53 HB1 GLN 53 -2.366 1.164 -12.515 291 HG2 GLN 53 HG2 GLN 53 -2.802 3.527 -12.306 292 HG3 GLN 53 HG1 GLN 53 -2.365 3.483 -10.599 293 HE21 GLN 53 HE21 GLN 53 -1.222 5.084 -12.708 294 HE22 GLN 53 HE22 GLN 53 0.457 4.675 -12.783 295 H ARG 54 HN ARG 54 -3.450 -0.661 -9.473 296 HA ARG 54 HA ARG 54 -3.959 -2.759 -11.369 297 HB2 ARG 54 HB2 ARG 54 -2.252 -3.053 -9.628 298 HB3 ARG 54 HB1 ARG 54 -3.490 -2.932 -8.385 299 HG2 ARG 54 HG2 ARG 54 -4.444 -4.993 -8.977 300 HG3 ARG 54 HG1 ARG 54 -3.587 -5.037 -10.518 301 HD2 ARG 54 HD2 ARG 54 -1.466 -5.307 -9.329 302 HD3 ARG 54 HD1 ARG 54 -2.320 -5.256 -7.787 303 HE ARG 54 HE ARG 54 -3.516 -7.313 -8.637 304 HH11 ARG 54 HH11 ARG 54 -0.273 -6.505 -9.706 305 HH12 ARG 54 HH12 ARG 54 0.155 -8.154 -10.040 306 HH21 ARG 54 HH21 ARG 54 -2.949 -9.475 -9.097 307 HH22 ARG 54 HH22 ARG 54 -1.358 -9.838 -9.699 308 H GLN 55 HN GLN 55 -5.684 -1.249 -8.722 309 HA GLN 55 HA GLN 55 -7.811 -3.142 -8.601 310 HB2 GLN 55 HB2 GLN 55 -7.807 -0.236 -7.755 311 HB3 GLN 55 HB1 GLN 55 -8.988 -1.448 -7.280 312 HG2 GLN 55 HG2 GLN 55 -6.070 -1.385 -6.545 313 HG3 GLN 55 HG1 GLN 55 -7.439 -1.066 -5.481 314 HE21 GLN 55 HE21 GLN 55 -8.710 -2.786 -4.780 315 HE22 GLN 55 HE22 GLN 55 -8.168 -4.428 -4.880 316 H GLY 56 HN GLY 56 -7.306 -0.097 -10.322 317 HA2 GLY 56 HA2 GLY 56 -8.255 0.066 -12.571 318 HA3 GLY 56 HA1 GLY 56 -9.688 -0.740 -11.949 319 H VAL 57 HN VAL 57 -9.100 1.071 -9.465 320 HA VAL 57 HA VAL 57 -10.878 3.197 -10.357 321 HB VAL 57 HB VAL 57 -10.702 3.820 -7.827 322 HG11 VAL 57 HG11 VAL 57 -12.463 2.177 -7.297 323 HG12 VAL 57 HG12 VAL 57 -12.089 1.329 -8.796 324 HG13 VAL 57 HG13 VAL 57 -12.716 2.975 -8.848 325 HG21 VAL 57 HG21 VAL 57 -8.777 2.339 -7.376 326 HG22 VAL 57 HG22 VAL 57 -9.801 0.944 -7.726 327 HG23 VAL 57 HG23 VAL 57 -10.170 1.986 -6.351 328 HA PRO 58 HA PRO 58 -7.811 6.371 -10.546 329 HB2 PRO 58 HB2 PRO 58 -9.151 8.514 -9.555 330 HB3 PRO 58 HB1 PRO 58 -9.481 7.833 -11.153 331 HG2 PRO 58 HG2 PRO 58 -10.967 7.427 -8.597 332 HG3 PRO 58 HG1 PRO 58 -11.597 7.687 -10.236 333 HD2 PRO 58 HD2 PRO 58 -11.482 5.238 -9.111 334 HD3 PRO 58 HD1 PRO 58 -11.280 5.499 -10.854 335 H MET 59 HN MET 59 -6.847 8.216 -9.109 336 HA MET 59 HA MET 59 -6.056 6.961 -6.641 337 HB2 MET 59 HB2 MET 59 -4.632 8.413 -8.299 338 HB3 MET 59 HB1 MET 59 -5.272 9.755 -7.362 339 HG2 MET 59 HG2 MET 59 -4.395 8.657 -5.310 340 HG3 MET 59 HG1 MET 59 -3.624 7.455 -6.342 341 HE1 MET 59 HE1 MET 59 -1.981 9.038 -4.235 342 HE2 MET 59 HE2 MET 59 -0.575 9.572 -5.153 343 HE3 MET 59 HE3 MET 59 -1.207 7.940 -5.375 344 H ASN 60 HN ASN 60 -6.123 7.981 -4.578 345 HA ASN 60 HA ASN 60 -7.036 9.081 -2.826 346 HB2 ASN 60 HB2 ASN 60 -6.891 11.089 -4.472 347 HB3 ASN 60 HB1 ASN 60 -8.631 10.870 -4.636 348 HD21 ASN 60 HD21 ASN 60 -9.113 12.832 -3.684 349 HD22 ASN 60 HD22 ASN 60 -8.901 13.125 -1.991 350 H SER 61 HN SER 61 -8.419 6.978 -4.595 351 HA SER 61 HA SER 61 -11.185 7.341 -3.732 352 HB2 SER 61 HB2 SER 61 -11.600 5.279 -5.072 353 HB3 SER 61 HB1 SER 61 -10.841 6.558 -6.023 354 HG SER 61 HG SER 61 -9.197 5.293 -6.347 355 H LEU 62 HN LEU 62 -8.350 5.409 -3.149 356 HA LEU 62 HA LEU 62 -9.765 3.967 -1.014 357 HB2 LEU 62 HB2 LEU 62 -7.257 3.157 -2.481 358 HB3 LEU 62 HB1 LEU 62 -8.083 2.217 -1.255 359 HG LEU 62 HG LEU 62 -9.364 2.975 -3.876 360 HD11 LEU 62 HD11 LEU 62 -8.845 0.723 -4.638 361 HD12 LEU 62 HD12 LEU 62 -7.934 0.421 -3.162 362 HD13 LEU 62 HD13 LEU 62 -7.371 1.631 -4.311 363 HD21 LEU 62 HD21 LEU 62 -10.038 0.889 -1.801 364 HD22 LEU 62 HD22 LEU 62 -10.891 1.149 -3.324 365 HD23 LEU 62 HD23 LEU 62 -10.908 2.399 -2.080 366 H ARG 63 HN ARG 63 -8.986 4.003 1.007 367 HA ARG 63 HA ARG 63 -6.646 5.713 1.520 368 HB2 ARG 63 HB2 ARG 63 -7.607 6.021 3.792 369 HB3 ARG 63 HB1 ARG 63 -8.662 6.614 2.517 370 HG2 ARG 63 HG2 ARG 63 -10.063 4.655 2.709 371 HG3 ARG 63 HG1 ARG 63 -8.960 3.954 3.895 372 HD2 ARG 63 HD2 ARG 63 -9.431 5.792 5.428 373 HD3 ARG 63 HD1 ARG 63 -10.513 6.514 4.240 374 HE ARG 63 HE ARG 63 -10.991 3.974 5.659 375 HH11 ARG 63 HH11 ARG 63 -12.180 6.783 3.901 376 HH12 ARG 63 HH12 ARG 63 -13.849 6.383 4.183 377 HH21 ARG 63 HH21 ARG 63 -14.418 4.507 5.367 378 HH22 ARG 63 HH22 ARG 63 -13.184 3.466 6.002 379 H PHE 64 HN PHE 64 -4.924 4.870 2.509 380 HA PHE 64 HA PHE 64 -5.026 2.039 3.222 381 HB2 PHE 64 HB2 PHE 64 -2.658 3.877 2.797 382 HB3 PHE 64 HB1 PHE 64 -2.555 2.158 3.165 383 HD1 PHE 64 HD1 PHE 64 -3.188 4.649 0.606 384 HD2 PHE 64 HD2 PHE 64 -3.273 0.492 1.513 385 HE1 PHE 64 HE1 PHE 64 -3.318 4.132 -1.793 386 HE2 PHE 64 HE2 PHE 64 -3.400 -0.029 -0.887 387 HZ PHE 64 HZ PHE 64 -3.423 1.792 -2.540 388 H LEU 65 HN LEU 65 -5.066 1.424 5.259 389 HA LEU 65 HA LEU 65 -4.397 3.411 7.322 390 HB2 LEU 65 HB2 LEU 65 -6.275 1.052 7.470 391 HB3 LEU 65 HB1 LEU 65 -5.896 2.124 8.805 392 HG LEU 65 HG LEU 65 -7.254 2.969 6.246 393 HD11 LEU 65 HD11 LEU 65 -8.382 2.505 9.003 394 HD12 LEU 65 HD12 LEU 65 -8.671 1.506 7.578 395 HD13 LEU 65 HD13 LEU 65 -9.261 3.168 7.625 396 HD21 LEU 65 HD21 LEU 65 -7.722 5.043 7.512 397 HD22 LEU 65 HD22 LEU 65 -6.002 4.788 7.216 398 HD23 LEU 65 HD23 LEU 65 -6.682 4.454 8.810 399 H PHE 66 HN PHE 66 -2.714 3.047 8.512 400 HA PHE 66 HA PHE 66 -1.724 0.297 8.862 401 HB2 PHE 66 HB2 PHE 66 -0.274 1.433 7.271 402 HB3 PHE 66 HB1 PHE 66 -0.112 2.809 8.355 403 HD1 PHE 66 HD1 PHE 66 0.542 -0.847 8.189 404 HD2 PHE 66 HD2 PHE 66 1.689 2.923 9.798 405 HE1 PHE 66 HE1 PHE 66 2.534 -1.883 9.191 406 HE2 PHE 66 HE2 PHE 66 3.679 1.886 10.804 407 HZ PHE 66 HZ PHE 66 4.103 -0.517 10.498 408 H GLU 67 HN GLU 67 -2.030 -0.192 10.924 409 HA GLU 67 HA GLU 67 -2.077 -0.102 13.192 410 HB2 GLU 67 HB2 GLU 67 -0.096 2.158 12.859 411 HB3 GLU 67 HB1 GLU 67 -0.377 1.233 14.329 412 HG2 GLU 67 HG2 GLU 67 0.661 0.103 11.741 413 HG3 GLU 67 HG1 GLU 67 1.654 0.540 13.131 414 H GLY 68 HN GLY 68 -3.989 1.459 11.689 415 HA2 GLY 68 HA2 GLY 68 -5.848 2.628 12.510 416 HA3 GLY 68 HA1 GLY 68 -4.880 3.171 13.872 417 H GLN 69 HN GLN 69 -2.723 3.944 11.865 418 HA GLN 69 HA GLN 69 -3.772 6.621 11.393 419 HB2 GLN 69 HB2 GLN 69 -0.972 5.619 10.862 420 HB3 GLN 69 HB1 GLN 69 -1.498 7.289 11.024 421 HG2 GLN 69 HG2 GLN 69 -2.206 6.580 13.405 422 HG3 GLN 69 HG1 GLN 69 -1.125 5.215 13.137 423 HE21 GLN 69 HE21 GLN 69 -0.918 7.374 15.050 424 HE22 GLN 69 HE22 GLN 69 0.592 8.162 14.741 425 H ARG 70 HN ARG 70 -3.520 7.674 9.319 426 HA ARG 70 HA ARG 70 -3.885 5.757 7.132 427 HB2 ARG 70 HB2 ARG 70 -4.814 7.686 5.871 428 HB3 ARG 70 HB1 ARG 70 -5.696 7.328 7.347 429 HG2 ARG 70 HG2 ARG 70 -4.563 9.177 8.472 430 HG3 ARG 70 HG1 ARG 70 -3.682 9.532 6.986 431 HD2 ARG 70 HD2 ARG 70 -6.674 9.630 7.349 432 HD3 ARG 70 HD1 ARG 70 -5.597 11.018 7.239 433 HE ARG 70 HE ARG 70 -5.092 10.225 4.931 434 HH11 ARG 70 HH11 ARG 70 -8.960 9.130 4.988 435 HH12 ARG 70 HH12 ARG 70 -8.108 9.341 6.486 436 HH21 ARG 70 HH21 ARG 70 -7.902 9.469 2.990 437 HH22 ARG 70 HH22 ARG 70 -6.225 9.941 2.958 438 H ILE 71 HN ILE 71 -2.588 5.683 5.382 439 HA ILE 71 HA ILE 71 0.046 6.755 5.639 440 HB ILE 71 HB ILE 71 -1.228 5.328 3.298 441 HG12 ILE 71 HG12 ILE 71 -1.211 3.957 5.324 442 HG13 ILE 71 HG11 ILE 71 -0.045 3.339 4.158 443 HG21 ILE 71 HG21 ILE 71 0.740 6.625 2.639 444 HG22 ILE 71 HG22 ILE 71 1.053 4.892 2.549 445 HG23 ILE 71 HG23 ILE 71 1.684 5.831 3.900 446 HD11 ILE 71 HD11 ILE 71 0.525 4.933 6.640 447 HD12 ILE 71 HD12 ILE 71 1.736 4.530 5.427 448 HD13 ILE 71 HD13 ILE 71 0.930 3.248 6.327 449 H ALA 72 HN ALA 72 0.730 8.668 5.043 450 HA ALA 72 HA ALA 72 -0.914 10.392 3.398 451 HB1 ALA 72 HB1 ALA 72 1.750 10.897 4.723 452 HB2 ALA 72 HB2 ALA 72 0.166 11.317 5.376 453 HB3 ALA 72 HB3 ALA 72 0.755 12.110 3.917 454 H ASP 73 HN ASP 73 0.028 11.597 1.584 455 HA ASP 73 HA ASP 73 1.240 9.804 -0.291 456 HB2 ASP 73 HB2 ASP 73 0.310 12.656 -0.389 457 HB3 ASP 73 HB1 ASP 73 1.242 11.981 -1.717 458 H ASN 74 HN ASN 74 2.520 11.693 2.106 459 HA ASN 74 HA ASN 74 5.073 12.013 0.672 460 HB2 ASN 74 HB2 ASN 74 5.601 13.835 2.216 461 HB3 ASN 74 HB1 ASN 74 4.076 14.152 1.396 462 HD21 ASN 74 HD21 ASN 74 5.642 13.639 4.388 463 HD22 ASN 74 HD22 ASN 74 4.253 13.820 5.403 464 H HIS 75 HN HIS 75 3.750 9.804 2.446 465 HA HIS 75 HA HIS 75 5.667 9.596 4.606 466 HB2 HIS 75 HB2 HIS 75 3.254 8.053 3.749 467 HB3 HIS 75 HB1 HIS 75 4.452 7.242 4.749 468 HD2 HIS 75 HD2 HIS 75 4.820 10.366 6.356 469 HE1 HIS 75 HE1 HIS 75 1.123 9.004 7.893 470 HE2 HIS 75 HE2 HIS 75 3.029 10.648 8.206 471 H THR 76 HN THR 76 6.903 7.571 4.898 472 HA THR 76 HA THR 76 7.679 6.260 2.389 473 HB THR 76 HB THR 76 10.107 6.398 3.465 474 HG1 THR 76 HG1 THR 76 8.627 8.374 4.745 475 HG21 THR 76 HG21 THR 76 9.576 7.143 1.216 476 HG22 THR 76 HG22 THR 76 10.562 8.362 2.026 477 HG23 THR 76 HG23 THR 76 8.822 8.608 1.853 478 HA PRO 77 HA PRO 77 7.571 2.601 4.880 479 HB2 PRO 77 HB2 PRO 77 9.537 1.081 3.774 480 HB3 PRO 77 HB1 PRO 77 7.975 1.363 2.989 481 HG2 PRO 77 HG2 PRO 77 10.594 2.707 2.483 482 HG3 PRO 77 HG1 PRO 77 9.376 2.137 1.324 483 HD2 PRO 77 HD2 PRO 77 9.584 4.731 2.013 484 HD3 PRO 77 HD1 PRO 77 8.028 3.972 1.619 485 H LYS 78 HN LYS 78 10.253 4.647 4.851 486 HA LYS 78 HA LYS 78 11.965 3.181 6.612 487 HB2 LYS 78 HB2 LYS 78 12.868 4.863 5.080 488 HB3 LYS 78 HB1 LYS 78 11.917 6.112 5.869 489 HG2 LYS 78 HG2 LYS 78 14.142 6.321 6.650 490 HG3 LYS 78 HG1 LYS 78 13.192 5.638 7.970 491 HD2 LYS 78 HD2 LYS 78 15.253 4.441 7.877 492 HD3 LYS 78 HD1 LYS 78 13.998 3.370 7.254 493 HE2 LYS 78 HE2 LYS 78 14.669 3.838 4.983 494 HE3 LYS 78 HE1 LYS 78 15.834 5.038 5.540 495 HZ1 LYS 78 HZ1 LYS 78 15.937 2.123 6.098 496 HZ2 LYS 78 HZ2 LYS 78 17.043 3.265 6.665 497 HZ3 LYS 78 HZ3 LYS 78 16.923 2.961 5.006 498 H GLU 79 HN GLU 79 9.442 5.594 6.953 499 HA GLU 79 HA GLU 79 9.884 5.732 9.841 500 HB2 GLU 79 HB2 GLU 79 8.289 7.586 9.813 501 HB3 GLU 79 HB1 GLU 79 9.579 7.855 8.651 502 HG2 GLU 79 HG2 GLU 79 7.910 6.800 6.962 503 HG3 GLU 79 HG1 GLU 79 6.707 7.225 8.177 504 H LEU 80 HN LEU 80 7.543 6.031 10.964 505 HA LEU 80 HA LEU 80 5.637 5.067 11.704 506 HB2 LEU 80 HB2 LEU 80 5.583 3.783 8.975 507 HB3 LEU 80 HB1 LEU 80 4.304 3.622 10.160 508 HG LEU 80 HG LEU 80 5.193 6.291 9.089 509 HD11 LEU 80 HD11 LEU 80 4.434 4.941 7.219 510 HD12 LEU 80 HD12 LEU 80 3.249 6.190 7.602 511 HD13 LEU 80 HD13 LEU 80 2.963 4.520 8.096 512 HD21 LEU 80 HD21 LEU 80 2.956 6.979 9.873 513 HD22 LEU 80 HD22 LEU 80 3.993 6.410 11.177 514 HD23 LEU 80 HD23 LEU 80 2.720 5.366 10.547 515 H GLY 81 HN GLY 81 7.426 2.598 9.836 516 HA2 GLY 81 HA2 GLY 81 8.725 0.953 11.127 517 HA3 GLY 81 HA1 GLY 81 7.404 0.941 12.289 518 H MET 82 HN MET 82 8.224 0.157 8.935 519 HA MET 82 HA MET 82 6.008 -1.778 8.894 520 HB2 MET 82 HB2 MET 82 7.516 -0.373 6.696 521 HB3 MET 82 HB1 MET 82 6.522 -1.788 6.378 522 HG2 MET 82 HG2 MET 82 4.555 -0.647 7.143 523 HG3 MET 82 HG1 MET 82 5.512 0.736 7.664 524 HE1 MET 82 HE1 MET 82 3.500 2.175 4.641 525 HE2 MET 82 HE2 MET 82 3.747 2.196 6.388 526 HE3 MET 82 HE3 MET 82 2.890 0.850 5.630 527 H GLU 83 HN GLU 83 6.387 -3.921 8.652 528 HA GLU 83 HA GLU 83 9.163 -4.771 8.136 529 HB2 GLU 83 HB2 GLU 83 7.674 -5.083 10.553 530 HB3 GLU 83 HB1 GLU 83 7.898 -6.672 9.835 531 HG2 GLU 83 HG2 GLU 83 10.079 -4.698 10.477 532 HG3 GLU 83 HG1 GLU 83 9.683 -6.151 11.395 533 H GLU 84 HN GLU 84 9.064 -7.343 7.889 534 HA GLU 84 HA GLU 84 7.521 -7.815 5.529 535 HB2 GLU 84 HB2 GLU 84 9.714 -8.795 5.733 536 HB3 GLU 84 HB1 GLU 84 9.267 -9.605 7.224 537 HG2 GLU 84 HG2 GLU 84 9.305 -11.226 5.492 538 HG3 GLU 84 HG1 GLU 84 7.627 -10.949 5.938 539 H GLU 85 HN GLU 85 5.721 -9.094 5.247 540 HA GLU 85 HA GLU 85 3.799 -10.201 5.721 541 HB2 GLU 85 HB2 GLU 85 5.314 -10.994 8.212 542 HB3 GLU 85 HB1 GLU 85 3.694 -11.571 7.848 543 HG2 GLU 85 HG2 GLU 85 5.837 -11.931 5.817 544 HG3 GLU 85 HG1 GLU 85 5.809 -12.982 7.230 545 H ASP 86 HN ASP 86 4.398 -7.421 6.589 546 HA ASP 86 HA ASP 86 2.938 -6.920 8.987 547 HB2 ASP 86 HB2 ASP 86 4.706 -5.462 7.545 548 HB3 ASP 86 HB1 ASP 86 3.199 -4.749 6.986 549 H VAL 87 HN VAL 87 0.885 -5.902 9.159 550 HA VAL 87 HA VAL 87 -0.913 -6.638 6.957 551 HB VAL 87 HB VAL 87 -1.598 -6.078 9.847 552 HG11 VAL 87 HG11 VAL 87 -3.421 -5.597 8.248 553 HG12 VAL 87 HG12 VAL 87 -3.791 -6.935 9.335 554 HG13 VAL 87 HG13 VAL 87 -3.316 -7.258 7.669 555 HG21 VAL 87 HG21 VAL 87 -1.473 -8.724 8.411 556 HG22 VAL 87 HG22 VAL 87 -1.879 -8.458 10.107 557 HG23 VAL 87 HG23 VAL 87 -0.247 -8.122 9.526 558 H ILE 88 HN ILE 88 -1.943 -5.125 5.825 559 HA ILE 88 HA ILE 88 -2.267 -2.457 6.997 560 HB ILE 88 HB ILE 88 -0.319 -2.369 5.491 561 HG12 ILE 88 HG12 ILE 88 -2.588 -0.917 4.148 562 HG13 ILE 88 HG11 ILE 88 -2.036 -0.471 5.761 563 HG21 ILE 88 HG21 ILE 88 -2.263 -3.225 3.354 564 HG22 ILE 88 HG22 ILE 88 -0.879 -4.146 3.951 565 HG23 ILE 88 HG23 ILE 88 -0.623 -2.639 3.063 566 HD11 ILE 88 HD11 ILE 88 -1.024 0.941 4.078 567 HD12 ILE 88 HD12 ILE 88 -0.375 -0.476 3.253 568 HD13 ILE 88 HD13 ILE 88 0.202 -0.055 4.865 569 H GLU 89 HN GLU 89 -4.177 -1.446 6.502 570 HA GLU 89 HA GLU 89 -6.131 -3.111 5.066 571 HB2 GLU 89 HB2 GLU 89 -6.481 -0.982 7.174 572 HB3 GLU 89 HB1 GLU 89 -7.821 -1.680 6.277 573 HG2 GLU 89 HG2 GLU 89 -7.352 -3.860 7.183 574 HG3 GLU 89 HG1 GLU 89 -5.909 -3.246 7.990 575 H VAL 90 HN VAL 90 -7.598 -2.157 3.622 576 HA VAL 90 HA VAL 90 -7.031 0.573 2.756 577 HB VAL 90 HB VAL 90 -5.684 -0.784 1.261 578 HG11 VAL 90 HG11 VAL 90 -8.219 -2.301 0.669 579 HG12 VAL 90 HG12 VAL 90 -6.773 -2.924 1.466 580 HG13 VAL 90 HG13 VAL 90 -6.713 -2.458 -0.236 581 HG21 VAL 90 HG21 VAL 90 -6.691 -0.146 -0.901 582 HG22 VAL 90 HG22 VAL 90 -6.723 1.156 0.285 583 HG23 VAL 90 HG23 VAL 90 -8.190 0.240 -0.061 584 H TYR 91 HN TYR 91 -8.873 1.667 2.608 585 HA TYR 91 HA TYR 91 -11.339 0.183 1.987 586 HB2 TYR 91 HB2 TYR 91 -10.955 2.273 4.137 587 HB3 TYR 91 HB1 TYR 91 -12.528 1.697 3.597 588 HD1 TYR 91 HD1 TYR 91 -13.238 -0.601 4.068 589 HD2 TYR 91 HD2 TYR 91 -9.560 0.927 5.562 590 HE1 TYR 91 HE1 TYR 91 -13.119 -2.467 5.664 591 HE2 TYR 91 HE2 TYR 91 -9.436 -0.930 7.166 592 HH TYR 91 HH TYR 91 -10.418 -2.737 7.972 593 H GLN 92 HN GLN 92 -13.098 1.572 1.194 594 HA GLN 92 HA GLN 92 -12.053 3.507 -0.684 595 HB2 GLN 92 HB2 GLN 92 -13.728 1.925 -1.465 596 HB3 GLN 92 HB1 GLN 92 -14.859 2.474 -0.234 597 HG2 GLN 92 HG2 GLN 92 -14.937 4.675 -1.281 598 HG3 GLN 92 HG1 GLN 92 -13.793 4.137 -2.508 599 HE21 GLN 92 HE21 GLN 92 -17.047 3.925 -1.329 600 HE22 GLN 92 HE22 GLN 92 -17.719 3.159 -2.728 601 H GLU 93 HN GLU 93 -12.144 5.643 -0.507 602 HA GLU 93 HA GLU 93 -12.971 6.842 1.951 603 HB2 GLU 93 HB2 GLU 93 -11.997 7.973 -0.676 604 HB3 GLU 93 HB1 GLU 93 -12.436 8.996 0.684 605 HG2 GLU 93 HG2 GLU 93 -10.424 6.811 1.003 606 HG3 GLU 93 HG1 GLU 93 -9.964 8.370 0.323 607 H GLN 94 HN GLN 94 -14.570 8.527 2.170 608 HA GLN 94 HA GLN 94 -17.072 7.843 1.038 609 HB2 GLN 94 HB2 GLN 94 -16.639 8.962 3.280 610 HB3 GLN 94 HB1 GLN 94 -16.381 10.455 2.389 611 HG2 GLN 94 HG2 GLN 94 -18.711 10.049 1.412 612 HG3 GLN 94 HG1 GLN 94 -18.898 8.869 2.707 613 HE21 GLN 94 HE21 GLN 94 -20.517 10.018 3.736 614 HE22 GLN 94 HE22 GLN 94 -20.217 11.497 4.577 615 H THR 95 HN THR 95 -14.524 9.923 0.065 616 HA THR 95 HA THR 95 -15.985 11.677 -1.626 617 HB THR 95 HB THR 95 -13.378 11.519 -2.604 618 HG1 THR 95 HG1 THR 95 -12.220 11.604 -0.520 619 HG21 THR 95 HG21 THR 95 -14.622 13.571 -2.148 620 HG22 THR 95 HG22 THR 95 -13.042 13.605 -1.365 621 HG23 THR 95 HG23 THR 95 -14.489 13.273 -0.415 622 H GLY 96 HN GLY 96 -14.659 8.485 -1.967 623 HA2 GLY 96 HA2 GLY 96 -15.088 6.928 -3.624 624 HA3 GLY 96 HA1 GLY 96 -15.933 8.171 -4.533 625 H GLY 97 HN GLY 97 -13.348 9.821 -4.044 626 HA2 GLY 97 HA2 GLY 97 -11.133 8.778 -5.236 627 HA3 GLY 97 HA1 GLY 97 -12.179 9.195 -6.587 628 H1 ASP 195 HN ASP 195 -7.172 -20.038 -3.690 629 HA ASP 195 HA ASP 195 -8.745 -18.302 -2.261 630 HB2 ASP 195 HB2 ASP 195 -6.122 -18.831 -0.951 631 HB3 ASP 195 HB1 ASP 195 -6.691 -17.162 -0.990 632 H THR 196 HN THR 196 -7.388 -15.929 -2.261 633 HA THR 196 HA THR 196 -6.339 -15.871 -5.005 634 HB THR 196 HB THR 196 -7.656 -13.480 -3.782 635 HG1 THR 196 HG1 THR 196 -8.898 -15.822 -4.793 636 HG21 THR 196 HG21 THR 196 -8.159 -12.963 -6.120 637 HG22 THR 196 HG22 THR 196 -7.463 -14.505 -6.624 638 HG23 THR 196 HG23 THR 196 -6.435 -13.260 -5.915 639 H ALA 197 HN ALA 197 -4.327 -15.307 -5.150 640 HA ALA 197 HA ALA 197 -3.220 -13.393 -3.210 641 HB1 ALA 197 HB1 ALA 197 -1.084 -14.563 -3.335 642 HB2 ALA 197 HB2 ALA 197 -1.784 -15.754 -4.429 643 HB3 ALA 197 HB3 ALA 197 -2.350 -15.647 -2.766 644 H GLY 198 HN GLY 198 -2.515 -11.628 -4.133 645 HA2 GLY 198 HA2 GLY 198 -1.709 -11.726 -6.980 646 HA3 GLY 198 HA1 GLY 198 -2.625 -10.379 -6.296 647 H CYS 199 HN CYS 199 0.318 -10.968 -7.398 648 HA CYS 199 HA CYS 199 1.610 -9.528 -5.172 649 HB2 CYS 199 HB2 CYS 199 3.005 -11.090 -7.348 650 HB3 CYS 199 HB1 CYS 199 3.714 -10.449 -5.874 651 HG CYS 199 HG CYS 199 1.709 -13.181 -6.245 652 H ILE 200 HN ILE 200 2.182 -7.526 -5.514 653 HA ILE 200 HA ILE 200 2.417 -6.556 -8.282 654 HB ILE 200 HB ILE 200 0.383 -5.669 -7.493 655 HG12 ILE 200 HG12 ILE 200 2.468 -3.540 -6.970 656 HG13 ILE 200 HG11 ILE 200 1.795 -3.959 -8.542 657 HG21 ILE 200 HG21 ILE 200 0.647 -6.248 -5.137 658 HG22 ILE 200 HG22 ILE 200 0.046 -4.605 -5.345 659 HG23 ILE 200 HG23 ILE 200 1.735 -4.876 -4.921 660 HD11 ILE 200 HD11 ILE 200 0.369 -2.700 -6.210 661 HD12 ILE 200 HD12 ILE 200 -0.458 -3.325 -7.638 662 HD13 ILE 200 HD13 ILE 200 0.684 -1.992 -7.800 663 H VAL 201 HN VAL 201 4.274 -5.500 -8.768 664 HA VAL 201 HA VAL 201 5.958 -4.707 -6.501 665 HB VAL 201 HB VAL 201 6.881 -6.709 -7.623 666 HG11 VAL 201 HG11 VAL 201 7.016 -4.888 -10.020 667 HG12 VAL 201 HG12 VAL 201 6.164 -6.423 -9.882 668 HG13 VAL 201 HG13 VAL 201 7.924 -6.394 -9.881 669 HG21 VAL 201 HG21 VAL 201 8.286 -4.962 -6.487 670 HG22 VAL 201 HG22 VAL 201 8.622 -4.294 -8.082 671 HG23 VAL 201 HG23 VAL 201 9.133 -5.933 -7.691 672 H ILE 202 HN ILE 202 6.688 -2.709 -6.495 673 HA ILE 202 HA ILE 202 6.288 -1.036 -8.876 674 HB ILE 202 HB ILE 202 4.584 -0.309 -7.474 675 HG12 ILE 202 HG12 ILE 202 6.985 1.400 -6.795 676 HG13 ILE 202 HG11 ILE 202 5.979 1.562 -8.231 677 HG21 ILE 202 HG21 ILE 202 6.428 -0.322 -5.088 678 HG22 ILE 202 HG22 ILE 202 5.364 -1.665 -5.506 679 HG23 ILE 202 HG23 ILE 202 4.682 -0.090 -5.098 680 HD11 ILE 202 HD11 ILE 202 5.659 3.110 -6.152 681 HD12 ILE 202 HD12 ILE 202 4.691 1.754 -5.566 682 HD13 ILE 202 HD13 ILE 202 4.277 2.545 -7.089 683 H SEP 203 HN SEP 203 7.936 0.338 -9.449 684 HA SEP 203 HA SEP 203 10.285 0.330 -7.664 685 HB2 SEP 203 HB1 SEP 203 10.152 0.615 -10.679 686 HB3 SEP 203 HB2 SEP 203 10.616 -0.850 -9.811 687 H ASP 204 HN ASP 204 10.687 2.149 -6.757 688 HA ASP 204 HA ASP 204 10.154 4.652 -8.153 689 HB2 ASP 204 HB2 ASP 204 8.363 3.958 -6.434 690 HB3 ASP 204 HB1 ASP 204 9.546 4.458 -5.259 691 H SEP 205 HN SEP 205 11.671 6.253 -7.866 692 HA SEP 205 HA SEP 205 13.819 5.632 -5.960 693 HB2 SEP 205 HB1 SEP 205 14.544 7.231 -8.239 694 HB3 SEP 205 HB2 SEP 205 14.107 5.558 -8.633 695 H GLU 206 HN GLU 206 14.492 7.203 -4.656 696 HA GLU 206 HA GLU 206 13.132 9.686 -4.530 697 HB2 GLU 206 HB2 GLU 206 13.993 8.906 -2.497 698 HB3 GLU 206 HB1 GLU 206 15.561 8.538 -3.200 699 HG2 GLU 206 HG2 GLU 206 15.590 10.475 -1.678 700 HG3 GLU 206 HG1 GLU 206 16.133 10.853 -3.311 Start of MODEL 5 1 H1 TYR 21 HN TYR 21 13.609 -6.813 -0.195 2 HA TYR 21 HA TYR 21 11.917 -4.522 -0.834 3 HB2 TYR 21 HB2 TYR 21 11.615 -7.259 -2.071 4 HB3 TYR 21 HB1 TYR 21 10.298 -6.098 -1.998 5 HD1 TYR 21 HD1 TYR 21 10.070 -4.462 -3.655 6 HD2 TYR 21 HD2 TYR 21 13.755 -6.546 -3.283 7 HE1 TYR 21 HE1 TYR 21 10.848 -3.446 -5.755 8 HE2 TYR 21 HE2 TYR 21 14.546 -5.534 -5.378 9 HH TYR 21 HH TYR 21 12.968 -2.931 -6.898 10 H ILE 22 HN ILE 22 10.051 -4.428 0.340 11 HA ILE 22 HA ILE 22 9.802 -6.392 2.517 12 HB ILE 22 HB ILE 22 8.786 -3.544 2.383 13 HG12 ILE 22 HG12 ILE 22 11.226 -3.639 2.578 14 HG13 ILE 22 HG11 ILE 22 10.507 -3.055 4.071 15 HG21 ILE 22 HG21 ILE 22 8.774 -5.480 4.692 16 HG22 ILE 22 HG22 ILE 22 7.365 -5.013 3.735 17 HG23 ILE 22 HG23 ILE 22 8.200 -3.810 4.721 18 HD11 ILE 22 HD11 ILE 22 11.637 -5.787 3.536 19 HD12 ILE 22 HD12 ILE 22 10.744 -5.357 4.994 20 HD13 ILE 22 HD13 ILE 22 12.271 -4.553 4.624 21 H LYS 23 HN LYS 23 8.223 -7.817 2.206 22 HA LYS 23 HA LYS 23 6.056 -7.219 0.361 23 HB2 LYS 23 HB2 LYS 23 7.421 -9.434 0.623 24 HB3 LYS 23 HB1 LYS 23 6.294 -9.755 1.929 25 HG2 LYS 23 HG2 LYS 23 4.432 -9.669 0.416 26 HG3 LYS 23 HG1 LYS 23 5.485 -9.165 -0.906 27 HD2 LYS 23 HD2 LYS 23 5.188 -11.451 -1.274 28 HD3 LYS 23 HD1 LYS 23 6.755 -11.353 -0.473 29 HE2 LYS 23 HE2 LYS 23 4.229 -11.820 1.077 30 HE3 LYS 23 HE1 LYS 23 5.084 -13.148 0.308 31 HZ1 LYS 23 HZ1 LYS 23 5.565 -12.330 2.790 32 HZ2 LYS 23 HZ2 LYS 23 6.712 -11.392 1.964 33 HZ3 LYS 23 HZ3 LYS 23 6.733 -13.078 1.817 34 H LEU 24 HN LEU 24 4.415 -6.073 1.141 35 HA LEU 24 HA LEU 24 3.552 -6.467 3.913 36 HB2 LEU 24 HB2 LEU 24 2.690 -4.402 1.882 37 HB3 LEU 24 HB1 LEU 24 2.193 -4.451 3.561 38 HG LEU 24 HG LEU 24 5.049 -4.060 2.661 39 HD11 LEU 24 HD11 LEU 24 2.987 -2.041 3.538 40 HD12 LEU 24 HD12 LEU 24 3.707 -2.186 1.934 41 HD13 LEU 24 HD13 LEU 24 4.704 -1.709 3.308 42 HD21 LEU 24 HD21 LEU 24 5.382 -3.335 4.981 43 HD22 LEU 24 HD22 LEU 24 4.841 -5.009 4.893 44 HD23 LEU 24 HD23 LEU 24 3.705 -3.738 5.346 45 H LYS 25 HN LYS 25 1.539 -7.204 4.457 46 HA LYS 25 HA LYS 25 0.080 -8.576 2.332 47 HB2 LYS 25 HB2 LYS 25 -0.142 -8.712 5.342 48 HB3 LYS 25 HB1 LYS 25 -1.167 -9.616 4.238 49 HG2 LYS 25 HG2 LYS 25 1.035 -10.544 3.289 50 HG3 LYS 25 HG1 LYS 25 1.754 -9.945 4.783 51 HD2 LYS 25 HD2 LYS 25 1.175 -12.245 5.103 52 HD3 LYS 25 HD1 LYS 25 0.053 -11.262 6.044 53 HE2 LYS 25 HE2 LYS 25 -1.702 -11.607 4.520 54 HE3 LYS 25 HE1 LYS 25 -0.609 -12.188 3.266 55 HZ1 LYS 25 HZ1 LYS 25 -1.052 -13.626 5.815 56 HZ2 LYS 25 HZ2 LYS 25 -0.278 -14.201 4.425 57 HZ3 LYS 25 HZ3 LYS 25 -1.952 -13.933 4.410 58 H VAL 26 HN VAL 26 -1.391 -7.391 1.329 59 HA VAL 26 HA VAL 26 -2.884 -5.360 2.815 60 HB VAL 26 HB VAL 26 -3.021 -5.948 -0.144 61 HG11 VAL 26 HG11 VAL 26 -4.904 -4.673 0.716 62 HG12 VAL 26 HG12 VAL 26 -3.877 -3.651 -0.290 63 HG13 VAL 26 HG13 VAL 26 -3.801 -3.518 1.467 64 HG21 VAL 26 HG21 VAL 26 -1.232 -4.022 1.330 65 HG22 VAL 26 HG22 VAL 26 -1.491 -4.009 -0.415 66 HG23 VAL 26 HG23 VAL 26 -0.734 -5.405 0.356 67 H ILE 27 HN ILE 27 -4.750 -5.912 3.695 68 HA ILE 27 HA ILE 27 -6.191 -8.248 2.658 69 HB ILE 27 HB ILE 27 -6.634 -6.746 5.241 70 HG12 ILE 27 HG12 ILE 27 -4.441 -7.824 5.238 71 HG13 ILE 27 HG11 ILE 27 -5.533 -8.666 6.331 72 HG21 ILE 27 HG21 ILE 27 -7.986 -8.659 5.898 73 HG22 ILE 27 HG22 ILE 27 -7.693 -9.417 4.336 74 HG23 ILE 27 HG23 ILE 27 -8.624 -7.923 4.431 75 HD11 ILE 27 HD11 ILE 27 -4.683 -9.541 3.583 76 HD12 ILE 27 HD12 ILE 27 -5.908 -10.357 4.554 77 HD13 ILE 27 HD13 ILE 27 -4.241 -10.273 5.124 78 H GLY 28 HN GLY 28 -7.752 -7.867 1.254 79 HA2 GLY 28 HA2 GLY 28 -8.995 -5.265 1.047 80 HA3 GLY 28 HA1 GLY 28 -9.305 -6.656 0.018 81 H GLN 29 HN GLN 29 -11.477 -5.310 0.628 82 HA GLN 29 HA GLN 29 -12.692 -6.076 3.104 83 HB2 GLN 29 HB2 GLN 29 -13.276 -4.013 1.782 84 HB3 GLN 29 HB1 GLN 29 -14.082 -5.060 0.624 85 HG2 GLN 29 HG2 GLN 29 -15.745 -4.172 2.065 86 HG3 GLN 29 HG1 GLN 29 -15.540 -5.871 2.480 87 HE21 GLN 29 HE21 GLN 29 -14.538 -6.423 4.436 88 HE22 GLN 29 HE22 GLN 29 -14.379 -5.284 5.729 89 H ASP 30 HN ASP 30 -12.202 -7.654 0.142 90 HA ASP 30 HA ASP 30 -14.433 -9.495 0.602 91 HB2 ASP 30 HB2 ASP 30 -14.011 -10.355 -1.632 92 HB3 ASP 30 HB1 ASP 30 -14.135 -8.602 -1.696 93 H SER 31 HN SER 31 -11.796 -9.187 2.057 94 HA SER 31 HA SER 31 -10.301 -10.467 3.155 95 HB2 SER 31 HB2 SER 31 -12.095 -12.773 2.364 96 HB3 SER 31 HB1 SER 31 -10.940 -12.746 3.698 97 HG SER 31 HG SER 31 -13.451 -11.552 3.477 98 H SER 32 HN SER 32 -9.538 -9.815 0.604 99 HA SER 32 HA SER 32 -8.347 -12.228 -0.552 100 HB2 SER 32 HB2 SER 32 -7.576 -10.480 -2.308 101 HB3 SER 32 HB1 SER 32 -9.292 -10.882 -2.246 102 HG SER 32 HG SER 32 -9.749 -8.929 -1.541 103 H GLU 33 HN GLU 33 -6.140 -12.572 -0.588 104 HA GLU 33 HA GLU 33 -4.566 -10.813 1.151 105 HB2 GLU 33 HB2 GLU 33 -4.098 -13.659 0.251 106 HB3 GLU 33 HB1 GLU 33 -2.940 -12.727 1.189 107 HG2 GLU 33 HG2 GLU 33 -4.644 -12.486 2.966 108 HG3 GLU 33 HG1 GLU 33 -5.710 -13.539 2.038 109 H ILE 34 HN ILE 34 -3.791 -9.208 -0.118 110 HA ILE 34 HA ILE 34 -2.453 -9.966 -2.625 111 HB ILE 34 HB ILE 34 -2.821 -7.111 -1.803 112 HG12 ILE 34 HG12 ILE 34 -5.034 -8.247 -1.484 113 HG13 ILE 34 HG11 ILE 34 -5.047 -7.013 -2.736 114 HG21 ILE 34 HG21 ILE 34 -2.850 -8.530 -4.467 115 HG22 ILE 34 HG22 ILE 34 -1.496 -7.638 -3.772 116 HG23 ILE 34 HG23 ILE 34 -2.969 -6.787 -4.227 117 HD11 ILE 34 HD11 ILE 34 -4.903 -9.987 -3.176 118 HD12 ILE 34 HD12 ILE 34 -4.888 -8.759 -4.442 119 HD13 ILE 34 HD13 ILE 34 -6.314 -8.957 -3.422 120 H HIS 35 HN HIS 35 -0.287 -9.788 -2.840 121 HA HIS 35 HA HIS 35 1.201 -8.925 -0.458 122 HB2 HIS 35 HB2 HIS 35 2.128 -10.618 -2.786 123 HB3 HIS 35 HB1 HIS 35 3.075 -10.233 -1.360 124 HD2 HIS 35 HD2 HIS 35 0.877 -10.989 0.927 125 HE1 HIS 35 HE1 HIS 35 0.867 -14.759 -0.996 126 HE2 HIS 35 HE2 HIS 35 0.265 -13.506 1.118 127 H PHE 36 HN PHE 36 1.811 -6.858 -0.596 128 HA PHE 36 HA PHE 36 2.699 -5.850 -3.210 129 HB2 PHE 36 HB2 PHE 36 0.932 -4.670 -1.578 130 HB3 PHE 36 HB1 PHE 36 2.409 -4.013 -0.879 131 HD1 PHE 36 HD1 PHE 36 4.035 -3.789 -3.398 132 HD2 PHE 36 HD2 PHE 36 -0.007 -2.759 -2.553 133 HE1 PHE 36 HE1 PHE 36 4.097 -2.095 -5.178 134 HE2 PHE 36 HE2 PHE 36 0.046 -1.068 -4.336 135 HZ PHE 36 HZ PHE 36 2.097 -0.736 -5.654 136 H LYS 37 HN LYS 37 4.810 -6.103 -3.511 137 HA LYS 37 HA LYS 37 6.589 -6.040 -1.197 138 HB2 LYS 37 HB2 LYS 37 8.096 -6.442 -3.552 139 HB3 LYS 37 HB1 LYS 37 7.725 -7.609 -2.294 140 HG2 LYS 37 HG2 LYS 37 5.493 -7.915 -3.585 141 HG3 LYS 37 HG1 LYS 37 6.374 -7.171 -4.923 142 HD2 LYS 37 HD2 LYS 37 7.391 -9.555 -3.383 143 HD3 LYS 37 HD1 LYS 37 6.429 -9.689 -4.856 144 HE2 LYS 37 HE2 LYS 37 8.108 -8.706 -6.170 145 HE3 LYS 37 HE1 LYS 37 8.952 -8.064 -4.761 146 HZ1 LYS 37 HZ1 LYS 37 8.714 -10.943 -5.448 147 HZ2 LYS 37 HZ2 LYS 37 9.563 -10.301 -4.135 148 HZ3 LYS 37 HZ3 LYS 37 10.082 -9.985 -5.713 149 H VAL 38 HN VAL 38 7.008 -4.059 -0.597 150 HA VAL 38 HA VAL 38 7.487 -1.971 -2.576 151 HB VAL 38 HB VAL 38 7.382 -0.400 -0.765 152 HG11 VAL 38 HG11 VAL 38 5.270 -1.648 -1.605 153 HG12 VAL 38 HG12 VAL 38 5.151 -0.621 -0.178 154 HG13 VAL 38 HG13 VAL 38 5.267 -2.371 0.001 155 HG21 VAL 38 HG21 VAL 38 8.688 -1.725 0.873 156 HG22 VAL 38 HG22 VAL 38 7.266 -2.733 1.150 157 HG23 VAL 38 HG23 VAL 38 7.228 -1.019 1.565 158 H LYS 39 HN LYS 39 9.411 -0.675 -2.500 159 HA LYS 39 HA LYS 39 11.734 -2.231 -1.596 160 HB2 LYS 39 HB2 LYS 39 11.343 -1.426 -4.061 161 HB3 LYS 39 HB1 LYS 39 11.901 0.120 -3.442 162 HG2 LYS 39 HG2 LYS 39 13.980 -0.985 -2.680 163 HG3 LYS 39 HG1 LYS 39 13.429 -2.467 -3.475 164 HD2 LYS 39 HD2 LYS 39 13.339 -1.306 -5.608 165 HD3 LYS 39 HD1 LYS 39 13.834 0.196 -4.831 166 HE2 LYS 39 HE2 LYS 39 15.951 -0.882 -4.179 167 HE3 LYS 39 HE1 LYS 39 15.451 -2.331 -5.050 168 HZ1 LYS 39 HZ1 LYS 39 15.116 -0.378 -6.888 169 HZ2 LYS 39 HZ2 LYS 39 16.473 -1.393 -6.776 170 HZ3 LYS 39 HZ3 LYS 39 16.505 0.139 -6.064 171 H MET 40 HN MET 40 13.378 -1.219 -0.396 172 HA MET 40 HA MET 40 12.465 0.923 1.288 173 HB2 MET 40 HB2 MET 40 13.879 -1.022 2.057 174 HB3 MET 40 HB1 MET 40 15.228 -0.297 1.193 175 HG2 MET 40 HG2 MET 40 15.141 0.146 3.658 176 HG3 MET 40 HG1 MET 40 15.275 1.571 2.630 177 HE1 MET 40 HE1 MET 40 11.356 0.247 4.691 178 HE2 MET 40 HE2 MET 40 12.889 -0.603 4.877 179 HE3 MET 40 HE3 MET 40 12.058 -0.616 3.323 180 H THR 41 HN THR 41 12.201 2.268 -0.720 181 HA THR 41 HA THR 41 13.995 4.395 -0.722 182 HB THR 41 HB THR 41 15.288 2.510 -2.060 183 HG1 THR 41 HG1 THR 41 15.986 4.421 -3.522 184 HG21 THR 41 HG21 THR 41 14.025 1.838 -3.830 185 HG22 THR 41 HG22 THR 41 14.802 3.221 -4.596 186 HG23 THR 41 HG23 THR 41 13.156 3.374 -3.961 187 H THR 42 HN THR 42 11.458 2.575 -2.170 188 HA THR 42 HA THR 42 10.605 4.507 -4.056 189 HB THR 42 HB THR 42 8.585 3.184 -4.262 190 HG1 THR 42 HG1 THR 42 8.776 2.745 -1.752 191 HG21 THR 42 HG21 THR 42 11.137 2.238 -4.722 192 HG22 THR 42 HG22 THR 42 9.639 1.529 -5.335 193 HG23 THR 42 HG23 THR 42 10.356 0.916 -3.849 194 H HIS 43 HN HIS 43 9.114 6.117 -3.882 195 HA HIS 43 HA HIS 43 8.474 7.024 -1.213 196 HB2 HIS 43 HB2 HIS 43 7.562 8.177 -3.864 197 HB3 HIS 43 HB1 HIS 43 7.506 8.977 -2.302 198 HD2 HIS 43 HD2 HIS 43 10.925 7.630 -2.217 199 HE1 HIS 43 HE1 HIS 43 11.249 11.148 -4.506 200 HE2 HIS 43 HE2 HIS 43 12.500 9.426 -3.149 201 H LEU 44 HN LEU 44 6.442 6.939 -0.257 202 HA LEU 44 HA LEU 44 4.730 4.887 -1.145 203 HB2 LEU 44 HB2 LEU 44 4.575 6.916 1.037 204 HB3 LEU 44 HB1 LEU 44 3.160 5.954 0.649 205 HG LEU 44 HG LEU 44 5.847 4.761 1.340 206 HD11 LEU 44 HD11 LEU 44 5.222 5.819 3.323 207 HD12 LEU 44 HD12 LEU 44 4.634 4.166 3.503 208 HD13 LEU 44 HD13 LEU 44 3.513 5.461 3.082 209 HD21 LEU 44 HD21 LEU 44 4.572 2.713 1.656 210 HD22 LEU 44 HD22 LEU 44 4.384 3.331 0.019 211 HD23 LEU 44 HD23 LEU 44 3.092 3.553 1.194 212 H LYS 45 HN LYS 45 5.019 7.989 -2.266 213 HA LYS 45 HA LYS 45 2.370 8.732 -2.822 214 HB2 LYS 45 HB2 LYS 45 4.257 10.285 -3.038 215 HB3 LYS 45 HB1 LYS 45 4.914 9.323 -4.354 216 HG2 LYS 45 HG2 LYS 45 3.879 11.175 -5.360 217 HG3 LYS 45 HG1 LYS 45 2.777 9.821 -5.615 218 HD2 LYS 45 HD2 LYS 45 1.498 10.578 -3.619 219 HD3 LYS 45 HD1 LYS 45 2.543 11.994 -3.540 220 HE2 LYS 45 HE2 LYS 45 1.816 12.635 -5.794 221 HE3 LYS 45 HE1 LYS 45 0.744 11.236 -5.837 222 HZ1 LYS 45 HZ1 LYS 45 0.571 13.588 -4.041 223 HZ2 LYS 45 HZ2 LYS 45 -0.333 12.175 -3.800 224 HZ3 LYS 45 HZ3 LYS 45 -0.551 13.095 -5.206 225 H LYS 46 HN LYS 46 4.788 7.076 -4.849 226 HA LYS 46 HA LYS 46 2.953 6.535 -6.967 227 HB2 LYS 46 HB2 LYS 46 5.444 6.723 -7.221 228 HB3 LYS 46 HB1 LYS 46 5.593 5.173 -6.409 229 HG2 LYS 46 HG2 LYS 46 4.485 4.045 -8.188 230 HG3 LYS 46 HG1 LYS 46 4.015 5.567 -8.941 231 HD2 LYS 46 HD2 LYS 46 6.904 4.913 -8.503 232 HD3 LYS 46 HD1 LYS 46 6.044 4.257 -9.896 233 HE2 LYS 46 HE2 LYS 46 5.629 6.392 -10.781 234 HE3 LYS 46 HE1 LYS 46 6.011 7.192 -9.258 235 HZ1 LYS 46 HZ1 LYS 46 7.793 7.462 -10.848 236 HZ2 LYS 46 HZ2 LYS 46 7.951 5.785 -11.008 237 HZ3 LYS 46 HZ3 LYS 46 8.320 6.532 -9.534 238 H LEU 47 HN LEU 47 3.815 4.946 -4.026 239 HA LEU 47 HA LEU 47 3.086 2.307 -4.597 240 HB2 LEU 47 HB2 LEU 47 3.441 3.950 -2.194 241 HB3 LEU 47 HB1 LEU 47 2.284 2.655 -1.990 242 HG LEU 47 HG LEU 47 4.422 1.896 -1.233 243 HD11 LEU 47 HD11 LEU 47 3.851 0.681 -3.924 244 HD12 LEU 47 HD12 LEU 47 3.012 0.293 -2.422 245 HD13 LEU 47 HD13 LEU 47 4.729 -0.064 -2.591 246 HD21 LEU 47 HD21 LEU 47 5.424 2.795 -3.919 247 HD22 LEU 47 HD22 LEU 47 6.331 1.731 -2.845 248 HD23 LEU 47 HD23 LEU 47 5.923 3.368 -2.326 249 H LYS 48 HN LYS 48 1.179 4.982 -3.301 250 HA LYS 48 HA LYS 48 -1.260 3.604 -3.107 251 HB2 LYS 48 HB2 LYS 48 -0.825 6.562 -3.540 252 HB3 LYS 48 HB1 LYS 48 -2.263 5.806 -2.866 253 HG2 LYS 48 HG2 LYS 48 -1.023 5.083 -0.923 254 HG3 LYS 48 HG1 LYS 48 0.476 5.704 -1.613 255 HD2 LYS 48 HD2 LYS 48 -0.320 7.280 0.009 256 HD3 LYS 48 HD1 LYS 48 -0.536 7.981 -1.597 257 HE2 LYS 48 HE2 LYS 48 -2.869 7.513 -1.573 258 HE3 LYS 48 HE1 LYS 48 -2.715 6.518 -0.125 259 HZ1 LYS 48 HZ1 LYS 48 -3.621 8.784 0.257 260 HZ2 LYS 48 HZ2 LYS 48 -2.119 9.429 -0.193 261 HZ3 LYS 48 HZ3 LYS 48 -2.241 8.433 1.175 262 H GLU 49 HN GLU 49 0.199 5.479 -5.710 263 HA GLU 49 HA GLU 49 -2.041 5.522 -7.422 264 HB2 GLU 49 HB2 GLU 49 0.866 5.575 -8.248 265 HB3 GLU 49 HB1 GLU 49 -0.505 6.203 -9.153 266 HG2 GLU 49 HG2 GLU 49 -0.871 7.898 -7.451 267 HG3 GLU 49 HG1 GLU 49 0.472 7.254 -6.509 268 H SER 50 HN SER 50 0.774 3.360 -7.280 269 HA SER 50 HA SER 50 0.128 1.736 -9.451 270 HB2 SER 50 HB2 SER 50 1.609 0.985 -6.920 271 HB3 SER 50 HB1 SER 50 1.645 0.084 -8.436 272 HG SER 50 HG SER 50 2.662 2.673 -7.898 273 H TYR 51 HN TYR 51 -0.922 1.558 -6.085 274 HA TYR 51 HA TYR 51 -2.177 -0.970 -6.265 275 HB2 TYR 51 HB2 TYR 51 -1.606 0.071 -4.109 276 HB3 TYR 51 HB1 TYR 51 -2.790 1.338 -4.405 277 HD1 TYR 51 HD1 TYR 51 -2.369 -2.261 -3.708 278 HD2 TYR 51 HD2 TYR 51 -5.105 0.981 -3.990 279 HE1 TYR 51 HE1 TYR 51 -4.107 -3.644 -2.652 280 HE2 TYR 51 HE2 TYR 51 -6.846 -0.389 -2.932 281 HH TYR 51 HH TYR 51 -7.422 -2.633 -2.504 282 H CYS 52 HN CYS 52 -3.354 2.332 -6.729 283 HA CYS 52 HA CYS 52 -6.072 1.747 -7.033 284 HB2 CYS 52 HB2 CYS 52 -4.460 3.955 -8.333 285 HB3 CYS 52 HB1 CYS 52 -6.215 3.912 -8.208 286 HG CYS 52 HG CYS 52 -4.005 4.188 -5.609 287 H GLN 53 HN GLN 53 -3.413 1.697 -9.343 288 HA GLN 53 HA GLN 53 -4.990 1.302 -11.665 289 HB2 GLN 53 HB2 GLN 53 -2.142 0.397 -11.238 290 HB3 GLN 53 HB1 GLN 53 -2.927 0.744 -12.773 291 HG2 GLN 53 HG2 GLN 53 -2.941 3.059 -12.354 292 HG3 GLN 53 HG1 GLN 53 -2.548 2.832 -10.651 293 HE21 GLN 53 HE21 GLN 53 -1.171 4.496 -12.499 294 HE22 GLN 53 HE22 GLN 53 0.449 3.899 -12.630 295 H ARG 54 HN ARG 54 -3.745 -0.836 -9.212 296 HA ARG 54 HA ARG 54 -4.117 -3.260 -10.682 297 HB2 ARG 54 HB2 ARG 54 -2.550 -2.987 -8.743 298 HB3 ARG 54 HB1 ARG 54 -3.951 -2.902 -7.685 299 HG2 ARG 54 HG2 ARG 54 -4.004 -5.107 -7.553 300 HG3 ARG 54 HG1 ARG 54 -4.193 -5.226 -9.304 301 HD2 ARG 54 HD2 ARG 54 -1.760 -5.096 -9.563 302 HD3 ARG 54 HD1 ARG 54 -1.582 -5.002 -7.811 303 HE ARG 54 HE ARG 54 -2.935 -7.286 -8.073 304 HH11 ARG 54 HH11 ARG 54 -0.129 -6.072 -9.774 305 HH12 ARG 54 HH12 ARG 54 0.528 -7.644 -10.079 306 HH21 ARG 54 HH21 ARG 54 -2.095 -9.367 -8.512 307 HH22 ARG 54 HH22 ARG 54 -0.591 -9.519 -9.368 308 H GLN 55 HN GLN 55 -6.082 -1.313 -8.550 309 HA GLN 55 HA GLN 55 -8.189 -3.327 -8.478 310 HB2 GLN 55 HB2 GLN 55 -8.077 -0.568 -7.245 311 HB3 GLN 55 HB1 GLN 55 -9.343 -1.756 -6.978 312 HG2 GLN 55 HG2 GLN 55 -6.448 -2.120 -6.253 313 HG3 GLN 55 HG1 GLN 55 -7.721 -1.638 -5.133 314 HE21 GLN 55 HE21 GLN 55 -9.223 -3.152 -4.458 315 HE22 GLN 55 HE22 GLN 55 -9.002 -4.850 -4.698 316 H GLY 56 HN GLY 56 -7.224 -0.969 -10.584 317 HA2 GLY 56 HA2 GLY 56 -8.226 -0.067 -12.450 318 HA3 GLY 56 HA1 GLY 56 -9.599 -1.119 -12.140 319 H VAL 57 HN VAL 57 -8.259 1.361 -10.025 320 HA VAL 57 HA VAL 57 -10.702 2.955 -10.392 321 HB VAL 57 HB VAL 57 -10.697 3.437 -7.944 322 HG11 VAL 57 HG11 VAL 57 -11.736 1.351 -7.252 323 HG12 VAL 57 HG12 VAL 57 -11.010 0.516 -8.626 324 HG13 VAL 57 HG13 VAL 57 -12.219 1.771 -8.896 325 HG21 VAL 57 HG21 VAL 57 -8.435 2.931 -7.357 326 HG22 VAL 57 HG22 VAL 57 -8.620 1.261 -7.890 327 HG23 VAL 57 HG23 VAL 57 -9.488 1.832 -6.466 328 HA PRO 58 HA PRO 58 -7.934 6.409 -10.602 329 HB2 PRO 58 HB2 PRO 58 -9.420 8.390 -9.475 330 HB3 PRO 58 HB1 PRO 58 -9.753 7.744 -11.089 331 HG2 PRO 58 HG2 PRO 58 -11.100 7.123 -8.501 332 HG3 PRO 58 HG1 PRO 58 -11.810 7.365 -10.110 333 HD2 PRO 58 HD2 PRO 58 -11.423 4.905 -9.054 334 HD3 PRO 58 HD1 PRO 58 -11.337 5.230 -10.796 335 H MET 59 HN MET 59 -6.756 7.988 -9.222 336 HA MET 59 HA MET 59 -5.988 6.776 -6.757 337 HB2 MET 59 HB2 MET 59 -4.519 8.145 -8.340 338 HB3 MET 59 HB1 MET 59 -5.271 9.569 -7.633 339 HG2 MET 59 HG2 MET 59 -4.507 8.723 -5.392 340 HG3 MET 59 HG1 MET 59 -3.561 7.514 -6.261 341 HE1 MET 59 HE1 MET 59 -2.289 9.480 -4.179 342 HE2 MET 59 HE2 MET 59 -0.839 10.028 -5.018 343 HE3 MET 59 HE3 MET 59 -1.321 8.332 -5.100 344 H ASN 60 HN ASN 60 -6.052 7.775 -4.660 345 HA ASN 60 HA ASN 60 -6.993 8.827 -2.889 346 HB2 ASN 60 HB2 ASN 60 -6.749 10.863 -4.465 347 HB3 ASN 60 HB1 ASN 60 -8.480 10.689 -4.732 348 HD21 ASN 60 HD21 ASN 60 -9.880 11.409 -3.215 349 HD22 ASN 60 HD22 ASN 60 -9.397 12.172 -1.734 350 H SER 61 HN SER 61 -8.373 6.726 -4.598 351 HA SER 61 HA SER 61 -11.164 7.186 -3.919 352 HB2 SER 61 HB2 SER 61 -11.454 4.930 -5.048 353 HB3 SER 61 HB1 SER 61 -10.809 6.209 -6.079 354 HG SER 61 HG SER 61 -9.064 5.074 -6.329 355 H LEU 62 HN LEU 62 -8.463 5.138 -3.060 356 HA LEU 62 HA LEU 62 -10.008 4.086 -0.791 357 HB2 LEU 62 HB2 LEU 62 -7.714 2.751 -2.229 358 HB3 LEU 62 HB1 LEU 62 -8.649 2.071 -0.912 359 HG LEU 62 HG LEU 62 -9.982 2.840 -3.493 360 HD11 LEU 62 HD11 LEU 62 -9.629 0.633 -4.362 361 HD12 LEU 62 HD12 LEU 62 -8.763 0.149 -2.905 362 HD13 LEU 62 HD13 LEU 62 -8.057 1.344 -3.994 363 HD21 LEU 62 HD21 LEU 62 -11.385 0.817 -2.718 364 HD22 LEU 62 HD22 LEU 62 -11.577 2.356 -1.884 365 HD23 LEU 62 HD23 LEU 62 -10.609 1.077 -1.154 366 H ARG 63 HN ARG 63 -8.917 3.809 1.171 367 HA ARG 63 HA ARG 63 -6.458 5.410 1.437 368 HB2 ARG 63 HB2 ARG 63 -7.218 5.868 3.777 369 HB3 ARG 63 HB1 ARG 63 -8.248 6.570 2.538 370 HG2 ARG 63 HG2 ARG 63 -9.895 4.857 2.851 371 HG3 ARG 63 HG1 ARG 63 -8.835 3.977 3.954 372 HD2 ARG 63 HD2 ARG 63 -8.993 5.685 5.596 373 HD3 ARG 63 HD1 ARG 63 -9.788 6.786 4.472 374 HE ARG 63 HE ARG 63 -11.002 4.404 5.709 375 HH11 ARG 63 HH11 ARG 63 -11.304 7.443 3.973 376 HH12 ARG 63 HH12 ARG 63 -13.034 7.496 4.136 377 HH21 ARG 63 HH21 ARG 63 -14.156 5.809 5.217 378 HH22 ARG 63 HH22 ARG 63 -13.278 4.477 5.899 379 H PHE 64 HN PHE 64 -4.804 4.597 2.643 380 HA PHE 64 HA PHE 64 -5.006 1.754 3.324 381 HB2 PHE 64 HB2 PHE 64 -2.542 3.486 3.016 382 HB3 PHE 64 HB1 PHE 64 -2.558 1.742 3.256 383 HD1 PHE 64 HD1 PHE 64 -2.937 4.449 0.880 384 HD2 PHE 64 HD2 PHE 64 -3.360 0.252 1.471 385 HE1 PHE 64 HE1 PHE 64 -3.033 4.120 -1.554 386 HE2 PHE 64 HE2 PHE 64 -3.450 -0.081 -0.964 387 HZ PHE 64 HZ PHE 64 -3.288 1.855 -2.478 388 H LEU 65 HN LEU 65 -5.166 1.178 5.379 389 HA LEU 65 HA LEU 65 -4.495 3.187 7.418 390 HB2 LEU 65 HB2 LEU 65 -6.402 0.855 7.577 391 HB3 LEU 65 HB1 LEU 65 -6.053 1.964 8.888 392 HG LEU 65 HG LEU 65 -7.383 2.688 6.273 393 HD11 LEU 65 HD11 LEU 65 -8.492 2.521 9.070 394 HD12 LEU 65 HD12 LEU 65 -8.806 1.376 7.767 395 HD13 LEU 65 HD13 LEU 65 -9.368 3.043 7.631 396 HD21 LEU 65 HD21 LEU 65 -7.779 4.867 7.381 397 HD22 LEU 65 HD22 LEU 65 -6.075 4.550 7.053 398 HD23 LEU 65 HD23 LEU 65 -6.709 4.361 8.689 399 H PHE 66 HN PHE 66 -2.917 2.825 8.756 400 HA PHE 66 HA PHE 66 -2.082 0.085 9.358 401 HB2 PHE 66 HB2 PHE 66 -0.509 0.823 7.652 402 HB3 PHE 66 HB1 PHE 66 -0.240 2.337 8.508 403 HD1 PHE 66 HD1 PHE 66 -0.265 -1.238 9.580 404 HD2 PHE 66 HD2 PHE 66 1.901 2.412 9.328 405 HE1 PHE 66 HE1 PHE 66 1.601 -2.262 10.812 406 HE2 PHE 66 HE2 PHE 66 3.771 1.390 10.559 407 HZ PHE 66 HZ PHE 66 3.621 -0.944 11.303 408 H GLU 67 HN GLU 67 -2.306 -0.125 11.473 409 HA GLU 67 HA GLU 67 -2.252 0.265 13.712 410 HB2 GLU 67 HB2 GLU 67 -0.248 2.306 12.789 411 HB3 GLU 67 HB1 GLU 67 -0.684 2.160 14.485 412 HG2 GLU 67 HG2 GLU 67 0.286 -0.180 12.880 413 HG3 GLU 67 HG1 GLU 67 1.387 0.925 13.702 414 H GLY 68 HN GLY 68 -4.079 1.733 11.808 415 HA2 GLY 68 HA2 GLY 68 -6.027 2.919 12.408 416 HA3 GLY 68 HA1 GLY 68 -5.182 3.551 13.812 417 H GLN 69 HN GLN 69 -2.912 4.029 11.713 418 HA GLN 69 HA GLN 69 -3.783 6.747 11.116 419 HB2 GLN 69 HB2 GLN 69 -1.050 5.500 10.762 420 HB3 GLN 69 HB1 GLN 69 -1.441 7.212 10.671 421 HG2 GLN 69 HG2 GLN 69 -2.364 6.389 13.166 422 HG3 GLN 69 HG1 GLN 69 -0.806 5.591 12.956 423 HE21 GLN 69 HE21 GLN 69 -1.609 7.750 14.752 424 HE22 GLN 69 HE22 GLN 69 -0.536 9.061 14.417 425 H ARG 70 HN ARG 70 -3.744 7.623 9.049 426 HA ARG 70 HA ARG 70 -3.987 5.628 6.926 427 HB2 ARG 70 HB2 ARG 70 -4.828 7.746 5.643 428 HB3 ARG 70 HB1 ARG 70 -5.875 6.956 6.812 429 HG2 ARG 70 HG2 ARG 70 -5.262 8.629 8.490 430 HG3 ARG 70 HG1 ARG 70 -4.212 9.419 7.313 431 HD2 ARG 70 HD2 ARG 70 -7.199 9.076 7.111 432 HD3 ARG 70 HD1 ARG 70 -6.340 10.573 7.462 433 HE ARG 70 HE ARG 70 -5.352 10.315 5.176 434 HH11 ARG 70 HH11 ARG 70 -9.016 8.888 4.310 435 HH12 ARG 70 HH12 ARG 70 -8.449 8.866 5.956 436 HH21 ARG 70 HH21 ARG 70 -7.692 9.733 2.647 437 HH22 ARG 70 HH22 ARG 70 -6.109 10.357 3.020 438 H ILE 71 HN ILE 71 -2.471 5.340 5.486 439 HA ILE 71 HA ILE 71 0.037 6.561 5.615 440 HB ILE 71 HB ILE 71 -1.162 5.076 3.274 441 HG12 ILE 71 HG12 ILE 71 -1.240 3.740 5.321 442 HG13 ILE 71 HG11 ILE 71 -0.023 3.102 4.220 443 HG21 ILE 71 HG21 ILE 71 0.809 6.310 2.617 444 HG22 ILE 71 HG22 ILE 71 1.185 4.588 2.690 445 HG23 ILE 71 HG23 ILE 71 1.707 5.662 3.989 446 HD11 ILE 71 HD11 ILE 71 0.449 4.746 6.693 447 HD12 ILE 71 HD12 ILE 71 1.707 4.293 5.545 448 HD13 ILE 71 HD13 ILE 71 0.842 3.046 6.443 449 H ALA 72 HN ALA 72 0.761 8.427 4.942 450 HA ALA 72 HA ALA 72 -0.880 10.112 3.243 451 HB1 ALA 72 HB1 ALA 72 1.710 10.643 4.693 452 HB2 ALA 72 HB2 ALA 72 0.093 11.139 5.194 453 HB3 ALA 72 HB3 ALA 72 0.824 11.841 3.749 454 H ASP 73 HN ASP 73 0.199 11.356 1.497 455 HA ASP 73 HA ASP 73 1.383 9.552 -0.377 456 HB2 ASP 73 HB2 ASP 73 0.771 12.508 -0.475 457 HB3 ASP 73 HB1 ASP 73 1.482 11.634 -1.825 458 H ASN 74 HN ASN 74 2.597 11.839 1.879 459 HA ASN 74 HA ASN 74 5.228 11.851 0.585 460 HB2 ASN 74 HB2 ASN 74 5.766 13.720 2.089 461 HB3 ASN 74 HB1 ASN 74 4.314 14.052 1.148 462 HD21 ASN 74 HD21 ASN 74 5.648 13.647 4.273 463 HD22 ASN 74 HD22 ASN 74 4.207 13.960 5.176 464 H HIS 75 HN HIS 75 3.893 9.707 2.370 465 HA HIS 75 HA HIS 75 5.705 9.617 4.631 466 HB2 HIS 75 HB2 HIS 75 3.329 8.062 3.739 467 HB3 HIS 75 HB1 HIS 75 4.495 7.227 4.754 468 HD2 HIS 75 HD2 HIS 75 4.777 10.466 6.279 469 HE1 HIS 75 HE1 HIS 75 1.202 8.922 7.934 470 HE2 HIS 75 HE2 HIS 75 3.014 10.674 8.172 471 H THR 76 HN THR 76 6.986 7.673 5.067 472 HA THR 76 HA THR 76 8.073 6.478 2.598 473 HB THR 76 HB THR 76 10.230 6.270 4.004 474 HG1 THR 76 HG1 THR 76 8.661 8.036 5.554 475 HG21 THR 76 HG21 THR 76 10.164 7.712 2.095 476 HG22 THR 76 HG22 THR 76 10.906 8.612 3.416 477 HG23 THR 76 HG23 THR 76 9.228 8.920 2.976 478 HA PRO 77 HA PRO 77 7.185 2.548 4.443 479 HB2 PRO 77 HB2 PRO 77 9.544 1.358 3.197 480 HB3 PRO 77 HB1 PRO 77 7.835 1.112 2.815 481 HG2 PRO 77 HG2 PRO 77 9.499 2.415 1.145 482 HG3 PRO 77 HG1 PRO 77 7.775 2.809 1.281 483 HD2 PRO 77 HD2 PRO 77 10.127 4.213 2.483 484 HD3 PRO 77 HD1 PRO 77 8.677 4.893 1.717 485 H LYS 78 HN LYS 78 10.063 4.186 5.167 486 HA LYS 78 HA LYS 78 11.063 2.114 6.941 487 HB2 LYS 78 HB2 LYS 78 12.687 3.384 5.642 488 HB3 LYS 78 HB1 LYS 78 12.107 4.886 6.343 489 HG2 LYS 78 HG2 LYS 78 14.184 4.233 7.380 490 HG3 LYS 78 HG1 LYS 78 12.871 4.138 8.554 491 HD2 LYS 78 HD2 LYS 78 14.099 2.183 8.911 492 HD3 LYS 78 HD1 LYS 78 12.746 1.654 7.917 493 HE2 LYS 78 HE2 LYS 78 14.141 1.707 5.936 494 HE3 LYS 78 HE1 LYS 78 15.491 2.334 6.878 495 HZ1 LYS 78 HZ1 LYS 78 14.219 -0.327 7.223 496 HZ2 LYS 78 HZ2 LYS 78 15.490 0.273 8.160 497 HZ3 LYS 78 HZ3 LYS 78 15.726 -0.027 6.515 498 H GLU 79 HN GLU 79 9.123 4.980 7.117 499 HA GLU 79 HA GLU 79 9.536 5.257 9.984 500 HB2 GLU 79 HB2 GLU 79 8.169 7.221 9.852 501 HB3 GLU 79 HB1 GLU 79 9.306 7.255 8.515 502 HG2 GLU 79 HG2 GLU 79 7.512 6.374 7.045 503 HG3 GLU 79 HG1 GLU 79 6.389 6.541 8.395 504 H LEU 80 HN LEU 80 7.369 5.738 11.203 505 HA LEU 80 HA LEU 80 5.426 5.030 12.098 506 HB2 LEU 80 HB2 LEU 80 5.110 4.228 9.303 507 HB3 LEU 80 HB1 LEU 80 4.183 3.257 10.426 508 HG LEU 80 HG LEU 80 4.049 6.255 10.501 509 HD11 LEU 80 HD11 LEU 80 3.475 5.704 8.244 510 HD12 LEU 80 HD12 LEU 80 1.989 6.055 9.123 511 HD13 LEU 80 HD13 LEU 80 2.434 4.385 8.778 512 HD21 LEU 80 HD21 LEU 80 1.844 5.788 11.490 513 HD22 LEU 80 HD22 LEU 80 3.164 5.088 12.428 514 HD23 LEU 80 HD23 LEU 80 2.180 4.060 11.386 515 H GLY 81 HN GLY 81 7.024 2.371 10.352 516 HA2 GLY 81 HA2 GLY 81 8.178 0.800 11.959 517 HA3 GLY 81 HA1 GLY 81 6.623 0.722 12.773 518 H MET 82 HN MET 82 7.661 0.522 9.369 519 HA MET 82 HA MET 82 5.840 -1.722 8.994 520 HB2 MET 82 HB2 MET 82 7.424 -0.002 7.094 521 HB3 MET 82 HB1 MET 82 6.618 -1.470 6.564 522 HG2 MET 82 HG2 MET 82 4.475 -0.541 7.318 523 HG3 MET 82 HG1 MET 82 5.303 0.938 7.795 524 HE1 MET 82 HE1 MET 82 2.772 0.626 5.751 525 HE2 MET 82 HE2 MET 82 3.205 1.843 4.547 526 HE3 MET 82 HE3 MET 82 3.420 2.184 6.263 527 H GLU 83 HN GLU 83 6.494 -3.729 8.216 528 HA GLU 83 HA GLU 83 9.315 -4.320 7.919 529 HB2 GLU 83 HB2 GLU 83 7.886 -4.854 10.378 530 HB3 GLU 83 HB1 GLU 83 8.436 -6.354 9.645 531 HG2 GLU 83 HG2 GLU 83 10.197 -3.984 10.218 532 HG3 GLU 83 HG1 GLU 83 10.030 -5.391 11.266 533 H GLU 84 HN GLU 84 9.509 -6.830 7.560 534 HA GLU 84 HA GLU 84 7.911 -7.452 5.298 535 HB2 GLU 84 HB2 GLU 84 10.164 -8.264 5.385 536 HB3 GLU 84 HB1 GLU 84 9.885 -9.065 6.921 537 HG2 GLU 84 HG2 GLU 84 9.949 -10.755 5.290 538 HG3 GLU 84 HG1 GLU 84 8.255 -10.559 5.729 539 H GLU 85 HN GLU 85 6.212 -8.805 5.040 540 HA GLU 85 HA GLU 85 4.404 -10.083 5.494 541 HB2 GLU 85 HB2 GLU 85 6.175 -10.913 7.767 542 HB3 GLU 85 HB1 GLU 85 4.517 -11.489 7.669 543 HG2 GLU 85 HG2 GLU 85 6.559 -11.837 5.489 544 HG3 GLU 85 HG1 GLU 85 6.201 -13.045 6.722 545 H ASP 86 HN ASP 86 4.739 -7.303 6.539 546 HA ASP 86 HA ASP 86 3.185 -7.229 8.964 547 HB2 ASP 86 HB2 ASP 86 4.939 -5.514 8.247 548 HB3 ASP 86 HB1 ASP 86 3.733 -4.905 7.120 549 H VAL 87 HN VAL 87 1.072 -6.270 9.130 550 HA VAL 87 HA VAL 87 -0.555 -6.870 6.756 551 HB VAL 87 HB VAL 87 -1.461 -6.654 9.630 552 HG11 VAL 87 HG11 VAL 87 -3.249 -6.172 8.078 553 HG12 VAL 87 HG12 VAL 87 -3.503 -7.762 8.797 554 HG13 VAL 87 HG13 VAL 87 -2.880 -7.627 7.151 555 HG21 VAL 87 HG21 VAL 87 -1.047 -9.149 7.992 556 HG22 VAL 87 HG22 VAL 87 -1.527 -9.051 9.685 557 HG23 VAL 87 HG23 VAL 87 0.090 -8.551 9.197 558 H ILE 88 HN ILE 88 -1.547 -5.311 5.708 559 HA ILE 88 HA ILE 88 -2.085 -2.770 7.093 560 HB ILE 88 HB ILE 88 -0.121 -2.530 5.577 561 HG12 ILE 88 HG12 ILE 88 -2.508 -0.997 4.535 562 HG13 ILE 88 HG11 ILE 88 -1.742 -0.661 6.085 563 HG21 ILE 88 HG21 ILE 88 -2.090 -3.126 3.379 564 HG22 ILE 88 HG22 ILE 88 -0.773 -4.176 3.897 565 HG23 ILE 88 HG23 ILE 88 -0.417 -2.610 3.168 566 HD11 ILE 88 HD11 ILE 88 -0.940 0.878 4.419 567 HD12 ILE 88 HD12 ILE 88 -0.460 -0.456 3.371 568 HD13 ILE 88 HD13 ILE 88 0.369 -0.198 4.906 569 H GLU 89 HN GLU 89 -4.049 -1.784 6.569 570 HA GLU 89 HA GLU 89 -5.862 -3.495 5.002 571 HB2 GLU 89 HB2 GLU 89 -6.531 -1.571 7.233 572 HB3 GLU 89 HB1 GLU 89 -7.681 -2.584 6.368 573 HG2 GLU 89 HG2 GLU 89 -6.734 -4.570 7.268 574 HG3 GLU 89 HG1 GLU 89 -5.368 -3.681 7.944 575 H VAL 90 HN VAL 90 -7.557 -2.438 3.794 576 HA VAL 90 HA VAL 90 -7.040 0.357 3.103 577 HB VAL 90 HB VAL 90 -5.802 -0.885 1.437 578 HG11 VAL 90 HG11 VAL 90 -8.367 -2.353 0.838 579 HG12 VAL 90 HG12 VAL 90 -6.959 -3.031 1.654 580 HG13 VAL 90 HG13 VAL 90 -6.842 -2.522 -0.031 581 HG21 VAL 90 HG21 VAL 90 -6.894 -0.102 -0.605 582 HG22 VAL 90 HG22 VAL 90 -6.977 1.110 0.672 583 HG23 VAL 90 HG23 VAL 90 -8.397 0.137 0.286 584 H TYR 91 HN TYR 91 -8.836 1.522 2.773 585 HA TYR 91 HA TYR 91 -11.395 0.129 2.364 586 HB2 TYR 91 HB2 TYR 91 -10.752 2.154 4.509 587 HB3 TYR 91 HB1 TYR 91 -12.402 1.842 3.982 588 HD1 TYR 91 HD1 TYR 91 -13.430 -0.359 4.385 589 HD2 TYR 91 HD2 TYR 91 -9.576 0.592 5.908 590 HE1 TYR 91 HE1 TYR 91 -13.575 -2.266 5.929 591 HE2 TYR 91 HE2 TYR 91 -9.713 -1.315 7.457 592 HH TYR 91 HH TYR 91 -12.185 -3.701 7.216 593 H GLN 92 HN GLN 92 -13.151 1.762 1.732 594 HA GLN 92 HA GLN 92 -12.031 3.460 -0.329 595 HB2 GLN 92 HB2 GLN 92 -14.076 1.963 -0.642 596 HB3 GLN 92 HB1 GLN 92 -14.958 3.143 0.320 597 HG2 GLN 92 HG2 GLN 92 -13.876 4.796 -1.474 598 HG3 GLN 92 HG1 GLN 92 -13.939 3.327 -2.448 599 HE21 GLN 92 HE21 GLN 92 -15.781 5.759 -0.792 600 HE22 GLN 92 HE22 GLN 92 -17.316 5.360 -1.489 601 H GLU 93 HN GLU 93 -12.105 5.640 -0.427 602 HA GLU 93 HA GLU 93 -12.403 7.058 2.057 603 HB2 GLU 93 HB2 GLU 93 -11.681 7.889 -0.748 604 HB3 GLU 93 HB1 GLU 93 -11.850 9.053 0.558 605 HG2 GLU 93 HG2 GLU 93 -10.089 6.736 1.057 606 HG3 GLU 93 HG1 GLU 93 -9.529 7.934 -0.108 607 H GLN 94 HN GLN 94 -13.712 8.994 2.280 608 HA GLN 94 HA GLN 94 -16.430 8.557 1.601 609 HB2 GLN 94 HB2 GLN 94 -16.031 9.681 3.634 610 HB3 GLN 94 HB1 GLN 94 -14.903 10.803 2.893 611 HG2 GLN 94 HG2 GLN 94 -16.825 11.809 1.666 612 HG3 GLN 94 HG1 GLN 94 -17.895 10.775 2.613 613 HE21 GLN 94 HE21 GLN 94 -18.907 12.529 3.580 614 HE22 GLN 94 HE22 GLN 94 -18.133 13.490 4.795 615 H THR 95 HN THR 95 -13.841 10.428 0.262 616 HA THR 95 HA THR 95 -15.348 12.119 -1.427 617 HB THR 95 HB THR 95 -12.688 11.439 -2.409 618 HG1 THR 95 HG1 THR 95 -11.563 11.884 -0.555 619 HG21 THR 95 HG21 THR 95 -13.876 13.537 -2.926 620 HG22 THR 95 HG22 THR 95 -12.336 13.847 -2.122 621 HG23 THR 95 HG23 THR 95 -13.845 13.968 -1.216 622 H GLY 96 HN GLY 96 -14.251 8.827 -1.715 623 HA2 GLY 96 HA2 GLY 96 -15.017 7.239 -3.237 624 HA3 GLY 96 HA1 GLY 96 -15.760 8.526 -4.171 625 H GLY 97 HN GLY 97 -13.491 10.150 -4.545 626 HA2 GLY 97 HA2 GLY 97 -11.402 8.534 -5.723 627 HA3 GLY 97 HA1 GLY 97 -12.430 9.349 -6.895 628 H1 ASP 195 HN ASP 195 -6.689 -20.809 -3.057 629 HA ASP 195 HA ASP 195 -8.535 -18.546 -3.096 630 HB2 ASP 195 HB2 ASP 195 -6.975 -19.244 -0.812 631 HB3 ASP 195 HB1 ASP 195 -6.301 -17.769 -1.496 632 H THR 196 HN THR 196 -7.266 -16.453 -3.635 633 HA THR 196 HA THR 196 -5.110 -17.193 -5.491 634 HB THR 196 HB THR 196 -6.791 -14.766 -5.963 635 HG1 THR 196 HG1 THR 196 -8.030 -16.890 -5.715 636 HG21 THR 196 HG21 THR 196 -6.169 -15.202 -8.290 637 HG22 THR 196 HG22 THR 196 -5.348 -16.682 -7.797 638 HG23 THR 196 HG23 THR 196 -4.735 -15.114 -7.267 639 H ALA 197 HN ALA 197 -3.228 -16.198 -5.222 640 HA ALA 197 HA ALA 197 -3.177 -13.801 -3.511 641 HB1 ALA 197 HB1 ALA 197 -0.934 -14.490 -2.778 642 HB2 ALA 197 HB2 ALA 197 -1.080 -15.958 -3.744 643 HB3 ALA 197 HB3 ALA 197 -2.152 -15.701 -2.369 644 H GLY 198 HN GLY 198 -2.320 -12.050 -4.378 645 HA2 GLY 198 HA2 GLY 198 -0.861 -12.329 -6.935 646 HA3 GLY 198 HA1 GLY 198 -2.020 -11.043 -6.625 647 H CYS 199 HN CYS 199 1.047 -11.345 -7.109 648 HA CYS 199 HA CYS 199 1.838 -9.589 -4.888 649 HB2 CYS 199 HB2 CYS 199 3.708 -11.224 -6.597 650 HB3 CYS 199 HB1 CYS 199 4.069 -10.415 -5.076 651 HG CYS 199 HG CYS 199 2.380 -12.162 -3.580 652 H ILE 200 HN ILE 200 2.439 -7.610 -5.333 653 HA ILE 200 HA ILE 200 2.987 -6.888 -8.130 654 HB ILE 200 HB ILE 200 0.896 -5.938 -7.656 655 HG12 ILE 200 HG12 ILE 200 2.853 -3.723 -7.020 656 HG13 ILE 200 HG11 ILE 200 2.546 -4.339 -8.641 657 HG21 ILE 200 HG21 ILE 200 1.998 -4.997 -5.021 658 HG22 ILE 200 HG22 ILE 200 0.843 -6.305 -5.270 659 HG23 ILE 200 HG23 ILE 200 0.387 -4.641 -5.641 660 HD11 ILE 200 HD11 ILE 200 0.546 -3.006 -6.831 661 HD12 ILE 200 HD12 ILE 200 0.193 -3.671 -8.424 662 HD13 ILE 200 HD13 ILE 200 1.297 -2.305 -8.266 663 H VAL 201 HN VAL 201 4.801 -5.758 -8.547 664 HA VAL 201 HA VAL 201 6.395 -4.894 -6.233 665 HB VAL 201 HB VAL 201 7.277 -6.899 -7.601 666 HG11 VAL 201 HG11 VAL 201 8.566 -6.354 -9.588 667 HG12 VAL 201 HG12 VAL 201 8.037 -4.675 -9.488 668 HG13 VAL 201 HG13 VAL 201 6.865 -5.951 -9.819 669 HG21 VAL 201 HG21 VAL 201 8.628 -5.736 -5.945 670 HG22 VAL 201 HG22 VAL 201 9.038 -4.489 -7.124 671 HG23 VAL 201 HG23 VAL 201 9.609 -6.142 -7.354 672 H ILE 202 HN ILE 202 7.105 -2.885 -6.216 673 HA ILE 202 HA ILE 202 6.655 -1.231 -8.600 674 HB ILE 202 HB ILE 202 4.985 -0.693 -6.964 675 HG12 ILE 202 HG12 ILE 202 7.181 1.377 -6.911 676 HG13 ILE 202 HG11 ILE 202 5.987 1.190 -8.191 677 HG21 ILE 202 HG21 ILE 202 7.268 -0.330 -5.025 678 HG22 ILE 202 HG22 ILE 202 6.030 -1.584 -4.963 679 HG23 ILE 202 HG23 ILE 202 5.592 0.104 -4.709 680 HD11 ILE 202 HD11 ILE 202 5.800 2.849 -6.010 681 HD12 ILE 202 HD12 ILE 202 4.775 1.481 -5.576 682 HD13 ILE 202 HD13 ILE 202 4.479 2.364 -7.072 683 H SEP 203 HN SEP 203 8.343 0.048 -9.289 684 HA SEP 203 HA SEP 203 10.641 0.253 -7.444 685 HB2 SEP 203 HB1 SEP 203 10.633 0.383 -10.476 686 HB3 SEP 203 HB2 SEP 203 10.976 -1.078 -9.557 687 H ASP 204 HN ASP 204 10.711 2.176 -6.593 688 HA ASP 204 HA ASP 204 10.293 4.515 -8.282 689 HB2 ASP 204 HB2 ASP 204 8.251 3.979 -6.947 690 HB3 ASP 204 HB1 ASP 204 9.179 4.319 -5.518 691 H SEP 205 HN SEP 205 11.875 5.968 -8.052 692 HA SEP 205 HA SEP 205 13.372 6.025 -5.545 693 HB2 SEP 205 HB1 SEP 205 15.247 6.685 -7.386 694 HB3 SEP 205 HB2 SEP 205 14.413 5.304 -8.109 695 H GLU 206 HN GLU 206 13.964 7.996 -4.781 696 HA GLU 206 HA GLU 206 12.794 10.365 -5.649 697 HB2 GLU 206 HB2 GLU 206 13.857 10.192 -3.447 698 HB3 GLU 206 HB1 GLU 206 15.427 9.985 -4.200 699 HG2 GLU 206 HG2 GLU 206 15.000 12.249 -3.255 700 HG3 GLU 206 HG1 GLU 206 15.465 12.229 -4.955 Start of MODEL 6 1 H1 TYR 21 HN TYR 21 13.443 -7.493 -0.246 2 HA TYR 21 HA TYR 21 11.753 -5.518 -1.394 3 HB2 TYR 21 HB2 TYR 21 11.646 -8.297 -2.468 4 HB3 TYR 21 HB1 TYR 21 10.120 -7.466 -2.200 5 HD1 TYR 21 HD1 TYR 21 9.521 -5.501 -3.538 6 HD2 TYR 21 HD2 TYR 21 13.159 -7.602 -4.220 7 HE1 TYR 21 HE1 TYR 21 9.742 -4.397 -5.725 8 HE2 TYR 21 HE2 TYR 21 13.393 -6.499 -6.405 9 HH TYR 21 HH TYR 21 11.433 -3.840 -7.369 10 H ILE 22 HN ILE 22 10.263 -5.029 0.076 11 HA ILE 22 HA ILE 22 9.842 -6.881 2.308 12 HB ILE 22 HB ILE 22 8.950 -3.999 2.084 13 HG12 ILE 22 HG12 ILE 22 11.391 -4.113 1.977 14 HG13 ILE 22 HG11 ILE 22 10.872 -3.459 3.525 15 HG21 ILE 22 HG21 ILE 22 9.199 -5.815 4.475 16 HG22 ILE 22 HG22 ILE 22 7.692 -5.345 3.691 17 HG23 ILE 22 HG23 ILE 22 8.682 -4.131 4.503 18 HD11 ILE 22 HD11 ILE 22 11.826 -6.262 3.004 19 HD12 ILE 22 HD12 ILE 22 11.246 -5.656 4.553 20 HD13 ILE 22 HD13 ILE 22 12.711 -4.985 3.837 21 H LYS 23 HN LYS 23 8.107 -8.130 2.274 22 HA LYS 23 HA LYS 23 5.926 -7.464 0.442 23 HB2 LYS 23 HB2 LYS 23 7.115 -9.734 0.533 24 HB3 LYS 23 HB1 LYS 23 6.234 -10.000 2.028 25 HG2 LYS 23 HG2 LYS 23 4.122 -9.779 0.836 26 HG3 LYS 23 HG1 LYS 23 4.997 -9.465 -0.662 27 HD2 LYS 23 HD2 LYS 23 4.555 -11.717 -0.866 28 HD3 LYS 23 HD1 LYS 23 6.156 -11.746 -0.126 29 HE2 LYS 23 HE2 LYS 23 3.661 -11.829 1.542 30 HE3 LYS 23 HE1 LYS 23 4.325 -13.291 0.819 31 HZ1 LYS 23 HZ1 LYS 23 5.004 -12.554 3.215 32 HZ2 LYS 23 HZ2 LYS 23 6.112 -11.572 2.392 33 HZ3 LYS 23 HZ3 LYS 23 6.145 -13.247 2.170 34 H LEU 24 HN LEU 24 4.209 -6.477 1.175 35 HA LEU 24 HA LEU 24 3.498 -6.733 4.021 36 HB2 LEU 24 HB2 LEU 24 2.519 -4.620 2.108 37 HB3 LEU 24 HB1 LEU 24 2.426 -4.607 3.859 38 HG LEU 24 HG LEU 24 5.042 -4.504 2.363 39 HD11 LEU 24 HD11 LEU 24 3.485 -2.186 3.487 40 HD12 LEU 24 HD12 LEU 24 3.606 -2.583 1.773 41 HD13 LEU 24 HD13 LEU 24 5.050 -2.124 2.676 42 HD21 LEU 24 HD21 LEU 24 5.128 -5.252 4.704 43 HD22 LEU 24 HD22 LEU 24 4.311 -3.767 5.196 44 HD23 LEU 24 HD23 LEU 24 5.919 -3.692 4.472 45 H LYS 25 HN LYS 25 1.530 -7.519 4.585 46 HA LYS 25 HA LYS 25 -0.044 -8.741 2.469 47 HB2 LYS 25 HB2 LYS 25 -0.326 -8.898 5.478 48 HB3 LYS 25 HB1 LYS 25 -1.297 -9.804 4.327 49 HG2 LYS 25 HG2 LYS 25 0.950 -10.713 3.469 50 HG3 LYS 25 HG1 LYS 25 1.602 -10.105 4.992 51 HD2 LYS 25 HD2 LYS 25 1.041 -12.404 5.311 52 HD3 LYS 25 HD1 LYS 25 -0.153 -11.438 6.180 53 HE2 LYS 25 HE2 LYS 25 -1.791 -11.792 4.511 54 HE3 LYS 25 HE1 LYS 25 -0.606 -12.454 3.387 55 HZ1 LYS 25 HZ1 LYS 25 -1.039 -13.796 5.962 56 HZ2 LYS 25 HZ2 LYS 25 -0.559 -14.448 4.476 57 HZ3 LYS 25 HZ3 LYS 25 -2.178 -14.011 4.724 58 H VAL 26 HN VAL 26 -1.495 -7.542 1.500 59 HA VAL 26 HA VAL 26 -2.890 -5.439 2.978 60 HB VAL 26 HB VAL 26 -3.021 -6.053 0.024 61 HG11 VAL 26 HG11 VAL 26 -4.902 -4.754 0.808 62 HG12 VAL 26 HG12 VAL 26 -3.828 -3.731 -0.148 63 HG13 VAL 26 HG13 VAL 26 -3.818 -3.620 1.612 64 HG21 VAL 26 HG21 VAL 26 -1.257 -4.084 1.478 65 HG22 VAL 26 HG22 VAL 26 -1.437 -4.195 -0.271 66 HG23 VAL 26 HG23 VAL 26 -0.725 -5.535 0.627 67 H ILE 27 HN ILE 27 -4.793 -5.910 3.859 68 HA ILE 27 HA ILE 27 -6.279 -8.222 2.852 69 HB ILE 27 HB ILE 27 -6.620 -6.652 5.412 70 HG12 ILE 27 HG12 ILE 27 -4.569 -8.006 5.354 71 HG13 ILE 27 HG11 ILE 27 -5.726 -8.658 6.507 72 HG21 ILE 27 HG21 ILE 27 -8.156 -8.462 6.081 73 HG22 ILE 27 HG22 ILE 27 -8.031 -9.144 4.460 74 HG23 ILE 27 HG23 ILE 27 -8.753 -7.551 4.694 75 HD11 ILE 27 HD11 ILE 27 -5.123 -9.720 3.758 76 HD12 ILE 27 HD12 ILE 27 -6.384 -10.343 4.824 77 HD13 ILE 27 HD13 ILE 27 -4.689 -10.451 5.301 78 H GLY 28 HN GLY 28 -7.866 -7.883 1.473 79 HA2 GLY 28 HA2 GLY 28 -9.028 -5.248 1.152 80 HA3 GLY 28 HA1 GLY 28 -9.377 -6.671 0.177 81 H GLN 29 HN GLN 29 -11.478 -5.159 0.826 82 HA GLN 29 HA GLN 29 -12.713 -5.813 3.300 83 HB2 GLN 29 HB2 GLN 29 -13.356 -3.815 2.069 84 HB3 GLN 29 HB1 GLN 29 -13.899 -4.790 0.710 85 HG2 GLN 29 HG2 GLN 29 -15.807 -4.050 1.946 86 HG3 GLN 29 HG1 GLN 29 -15.627 -5.788 2.169 87 HE21 GLN 29 HE21 GLN 29 -14.936 -6.578 4.187 88 HE22 GLN 29 HE22 GLN 29 -15.045 -5.614 5.622 89 H ASP 30 HN ASP 30 -12.537 -7.382 0.201 90 HA ASP 30 HA ASP 30 -14.685 -9.234 0.864 91 HB2 ASP 30 HB2 ASP 30 -14.403 -10.131 -1.361 92 HB3 ASP 30 HB1 ASP 30 -14.425 -8.374 -1.463 93 H SER 31 HN SER 31 -12.028 -9.013 2.274 94 HA SER 31 HA SER 31 -10.560 -10.354 3.337 95 HB2 SER 31 HB2 SER 31 -12.335 -12.636 2.449 96 HB3 SER 31 HB1 SER 31 -11.214 -12.637 3.807 97 HG SER 31 HG SER 31 -13.768 -11.780 3.712 98 H SER 32 HN SER 32 -9.758 -9.589 0.869 99 HA SER 32 HA SER 32 -8.608 -11.955 -0.418 100 HB2 SER 32 HB2 SER 32 -7.856 -10.106 -2.091 101 HB3 SER 32 HB1 SER 32 -9.556 -10.576 -2.054 102 HG SER 32 HG SER 32 -10.086 -8.672 -1.301 103 H GLU 33 HN GLU 33 -6.504 -12.448 -0.187 104 HA GLU 33 HA GLU 33 -4.846 -10.658 1.415 105 HB2 GLU 33 HB2 GLU 33 -4.471 -13.529 0.557 106 HB3 GLU 33 HB1 GLU 33 -3.274 -12.617 1.461 107 HG2 GLU 33 HG2 GLU 33 -4.948 -12.311 3.261 108 HG3 GLU 33 HG1 GLU 33 -6.039 -13.371 2.365 109 H ILE 34 HN ILE 34 -4.222 -9.088 -0.034 110 HA ILE 34 HA ILE 34 -2.934 -9.947 -2.519 111 HB ILE 34 HB ILE 34 -3.305 -7.091 -1.634 112 HG12 ILE 34 HG12 ILE 34 -5.504 -8.240 -1.568 113 HG13 ILE 34 HG11 ILE 34 -5.423 -7.025 -2.839 114 HG21 ILE 34 HG21 ILE 34 -3.026 -8.369 -4.351 115 HG22 ILE 34 HG22 ILE 34 -1.780 -7.461 -3.492 116 HG23 ILE 34 HG23 ILE 34 -3.245 -6.646 -4.044 117 HD11 ILE 34 HD11 ILE 34 -5.185 -10.005 -3.190 118 HD12 ILE 34 HD12 ILE 34 -5.016 -8.814 -4.480 119 HD13 ILE 34 HD13 ILE 34 -6.556 -8.989 -3.637 120 H HIS 35 HN HIS 35 -0.789 -9.901 -2.822 121 HA HIS 35 HA HIS 35 0.858 -9.163 -0.517 122 HB2 HIS 35 HB2 HIS 35 1.572 -10.746 -2.995 123 HB3 HIS 35 HB1 HIS 35 2.630 -10.468 -1.619 124 HD2 HIS 35 HD2 HIS 35 0.975 -11.389 0.863 125 HE1 HIS 35 HE1 HIS 35 -0.026 -14.831 -1.384 126 HE2 HIS 35 HE2 HIS 35 0.085 -13.826 0.941 127 H PHE 36 HN PHE 36 1.673 -7.191 -0.518 128 HA PHE 36 HA PHE 36 2.379 -5.954 -3.092 129 HB2 PHE 36 HB2 PHE 36 0.774 -4.887 -1.239 130 HB3 PHE 36 HB1 PHE 36 2.313 -4.355 -0.571 131 HD1 PHE 36 HD1 PHE 36 3.720 -4.004 -3.272 132 HD2 PHE 36 HD2 PHE 36 -0.081 -2.762 -1.821 133 HE1 PHE 36 HE1 PHE 36 3.731 -2.130 -4.862 134 HE2 PHE 36 HE2 PHE 36 -0.078 -0.888 -3.412 135 HZ PHE 36 HZ PHE 36 1.826 -0.573 -4.939 136 H LYS 37 HN LYS 37 4.463 -6.129 -3.579 137 HA LYS 37 HA LYS 37 6.405 -6.340 -1.394 138 HB2 LYS 37 HB2 LYS 37 7.965 -7.009 -3.348 139 HB3 LYS 37 HB1 LYS 37 6.745 -8.153 -2.813 140 HG2 LYS 37 HG2 LYS 37 5.292 -7.131 -4.689 141 HG3 LYS 37 HG1 LYS 37 6.822 -6.509 -5.309 142 HD2 LYS 37 HD2 LYS 37 6.408 -9.412 -4.639 143 HD3 LYS 37 HD1 LYS 37 6.029 -8.745 -6.229 144 HE2 LYS 37 HE2 LYS 37 8.372 -7.933 -6.382 145 HE3 LYS 37 HE1 LYS 37 8.714 -8.743 -4.855 146 HZ1 LYS 37 HZ1 LYS 37 9.264 -9.956 -7.008 147 HZ2 LYS 37 HZ2 LYS 37 7.599 -10.232 -7.145 148 HZ3 LYS 37 HZ3 LYS 37 8.448 -10.822 -5.805 149 H VAL 38 HN VAL 38 7.162 -4.471 -0.760 150 HA VAL 38 HA VAL 38 7.679 -2.359 -2.747 151 HB VAL 38 HB VAL 38 7.531 -0.754 -0.974 152 HG11 VAL 38 HG11 VAL 38 5.405 -1.570 -1.892 153 HG12 VAL 38 HG12 VAL 38 5.243 -1.062 -0.211 154 HG13 VAL 38 HG13 VAL 38 5.323 -2.778 -0.610 155 HG21 VAL 38 HG21 VAL 38 8.690 -2.007 0.771 156 HG22 VAL 38 HG22 VAL 38 7.305 -3.085 0.931 157 HG23 VAL 38 HG23 VAL 38 7.153 -1.383 1.366 158 H LYS 39 HN LYS 39 9.533 -0.828 -1.880 159 HA LYS 39 HA LYS 39 11.780 -2.516 -1.013 160 HB2 LYS 39 HB2 LYS 39 11.736 -0.473 -3.226 161 HB3 LYS 39 HB1 LYS 39 13.220 -1.053 -2.505 162 HG2 LYS 39 HG2 LYS 39 12.811 -3.271 -3.258 163 HG3 LYS 39 HG1 LYS 39 11.186 -2.845 -3.799 164 HD2 LYS 39 HD2 LYS 39 12.742 -2.979 -5.676 165 HD3 LYS 39 HD1 LYS 39 12.131 -1.337 -5.470 166 HE2 LYS 39 HE2 LYS 39 14.184 -0.693 -4.345 167 HE3 LYS 39 HE1 LYS 39 14.791 -2.343 -4.463 168 HZ1 LYS 39 HZ1 LYS 39 15.541 -0.614 -6.186 169 HZ2 LYS 39 HZ2 LYS 39 14.016 -0.853 -6.888 170 HZ3 LYS 39 HZ3 LYS 39 15.092 -2.151 -6.729 171 H MET 40 HN MET 40 13.697 -0.460 -0.986 172 HA MET 40 HA MET 40 12.753 1.073 1.332 173 HB2 MET 40 HB2 MET 40 14.780 -0.488 1.442 174 HB3 MET 40 HB1 MET 40 15.615 0.702 0.459 175 HG2 MET 40 HG2 MET 40 16.240 1.175 2.656 176 HG3 MET 40 HG1 MET 40 15.029 2.390 2.253 177 HE1 MET 40 HE1 MET 40 14.213 -1.421 3.164 178 HE2 MET 40 HE2 MET 40 14.233 -1.294 4.923 179 HE3 MET 40 HE3 MET 40 15.709 -1.007 4.001 180 H THR 41 HN THR 41 14.273 1.376 -1.808 181 HA THR 41 HA THR 41 14.800 4.176 -1.617 182 HB THR 41 HB THR 41 15.993 2.524 -3.141 183 HG1 THR 41 HG1 THR 41 15.679 4.255 -5.007 184 HG21 THR 41 HG21 THR 41 14.164 1.367 -4.146 185 HG22 THR 41 HG22 THR 41 14.959 2.290 -5.421 186 HG23 THR 41 HG23 THR 41 13.434 2.871 -4.726 187 H THR 42 HN THR 42 12.020 2.318 -2.393 188 HA THR 42 HA THR 42 10.783 4.224 -4.109 189 HB THR 42 HB THR 42 8.798 2.862 -3.946 190 HG1 THR 42 HG1 THR 42 9.211 2.394 -1.581 191 HG21 THR 42 HG21 THR 42 11.330 1.913 -4.770 192 HG22 THR 42 HG22 THR 42 9.734 1.434 -5.359 193 HG23 THR 42 HG23 THR 42 10.475 0.559 -4.020 194 H HIS 43 HN HIS 43 9.088 5.634 -3.698 195 HA HIS 43 HA HIS 43 8.806 6.457 -0.883 196 HB2 HIS 43 HB2 HIS 43 7.965 8.014 -3.347 197 HB3 HIS 43 HB1 HIS 43 8.083 8.615 -1.701 198 HD2 HIS 43 HD2 HIS 43 11.311 6.842 -2.132 199 HE1 HIS 43 HE1 HIS 43 11.939 10.633 -3.839 200 HE2 HIS 43 HE2 HIS 43 13.043 8.564 -2.890 201 H LEU 44 HN LEU 44 6.716 6.628 0.014 202 HA LEU 44 HA LEU 44 4.843 4.766 -0.986 203 HB2 LEU 44 HB2 LEU 44 4.568 6.841 1.171 204 HB3 LEU 44 HB1 LEU 44 3.377 5.598 0.837 205 HG LEU 44 HG LEU 44 6.223 5.120 1.738 206 HD11 LEU 44 HD11 LEU 44 4.823 6.005 3.507 207 HD12 LEU 44 HD12 LEU 44 5.194 4.305 3.794 208 HD13 LEU 44 HD13 LEU 44 3.606 4.769 3.184 209 HD21 LEU 44 HD21 LEU 44 5.437 2.759 1.978 210 HD22 LEU 44 HD22 LEU 44 5.573 3.320 0.314 211 HD23 LEU 44 HD23 LEU 44 3.988 3.210 1.078 212 H LYS 45 HN LYS 45 5.411 7.893 -1.986 213 HA LYS 45 HA LYS 45 2.794 8.828 -2.504 214 HB2 LYS 45 HB2 LYS 45 4.617 10.393 -2.594 215 HB3 LYS 45 HB1 LYS 45 5.456 9.435 -3.805 216 HG2 LYS 45 HG2 LYS 45 4.487 11.369 -4.848 217 HG3 LYS 45 HG1 LYS 45 3.643 9.925 -5.408 218 HD2 LYS 45 HD2 LYS 45 1.946 10.424 -3.552 219 HD3 LYS 45 HD1 LYS 45 2.704 12.014 -3.466 220 HE2 LYS 45 HE2 LYS 45 2.205 12.394 -5.822 221 HE3 LYS 45 HE1 LYS 45 1.472 10.792 -5.930 222 HZ1 LYS 45 HZ1 LYS 45 0.509 13.114 -4.361 223 HZ2 LYS 45 HZ2 LYS 45 -0.106 11.551 -4.157 224 HZ3 LYS 45 HZ3 LYS 45 -0.274 12.344 -5.647 225 H LYS 46 HN LYS 46 5.158 7.121 -4.524 226 HA LYS 46 HA LYS 46 3.384 6.838 -6.740 227 HB2 LYS 46 HB2 LYS 46 5.939 6.843 -6.769 228 HB3 LYS 46 HB1 LYS 46 5.848 5.184 -6.199 229 HG2 LYS 46 HG2 LYS 46 4.871 4.433 -8.196 230 HG3 LYS 46 HG1 LYS 46 4.452 6.071 -8.702 231 HD2 LYS 46 HD2 LYS 46 7.306 5.224 -8.307 232 HD3 LYS 46 HD1 LYS 46 6.466 4.956 -9.837 233 HE2 LYS 46 HE2 LYS 46 6.218 7.245 -10.231 234 HE3 LYS 46 HE1 LYS 46 6.514 7.665 -8.547 235 HZ1 LYS 46 HZ1 LYS 46 8.813 7.041 -8.809 236 HZ2 LYS 46 HZ2 LYS 46 8.398 8.189 -9.986 237 HZ3 LYS 46 HZ3 LYS 46 8.539 6.561 -10.412 238 H LEU 47 HN LEU 47 4.008 5.065 -3.850 239 HA LEU 47 HA LEU 47 3.152 2.498 -4.561 240 HB2 LEU 47 HB2 LEU 47 3.430 4.032 -2.052 241 HB3 LEU 47 HB1 LEU 47 2.305 2.695 -1.986 242 HG LEU 47 HG LEU 47 4.489 2.026 -1.167 243 HD11 LEU 47 HD11 LEU 47 4.937 0.180 -2.911 244 HD12 LEU 47 HD12 LEU 47 3.493 0.812 -3.701 245 HD13 LEU 47 HD13 LEU 47 3.401 0.207 -2.047 246 HD21 LEU 47 HD21 LEU 47 5.444 2.996 -3.838 247 HD22 LEU 47 HD22 LEU 47 6.352 1.817 -2.893 248 HD23 LEU 47 HD23 LEU 47 6.033 3.420 -2.231 249 H LYS 48 HN LYS 48 1.332 5.188 -3.156 250 HA LYS 48 HA LYS 48 -1.159 3.946 -3.008 251 HB2 LYS 48 HB2 LYS 48 -0.553 6.877 -3.421 252 HB3 LYS 48 HB1 LYS 48 -2.081 6.217 -2.856 253 HG2 LYS 48 HG2 LYS 48 -0.929 5.311 -0.875 254 HG3 LYS 48 HG1 LYS 48 0.570 6.053 -1.436 255 HD2 LYS 48 HD2 LYS 48 -0.432 7.471 0.230 256 HD3 LYS 48 HD1 LYS 48 -0.551 8.267 -1.342 257 HE2 LYS 48 HE2 LYS 48 -2.869 7.575 -1.544 258 HE3 LYS 48 HE1 LYS 48 -2.757 6.675 -0.033 259 HZ1 LYS 48 HZ1 LYS 48 -3.824 8.892 0.159 260 HZ2 LYS 48 HZ2 LYS 48 -2.341 9.611 -0.239 261 HZ3 LYS 48 HZ3 LYS 48 -2.489 8.685 1.176 262 H GLU 49 HN GLU 49 0.161 5.976 -5.640 263 HA GLU 49 HA GLU 49 -2.205 5.794 -7.201 264 HB2 GLU 49 HB2 GLU 49 -0.794 6.680 -9.058 265 HB3 GLU 49 HB1 GLU 49 -0.770 7.653 -7.596 266 HG2 GLU 49 HG2 GLU 49 1.391 6.741 -6.995 267 HG3 GLU 49 HG1 GLU 49 1.366 5.697 -8.415 268 H SER 50 HN SER 50 0.641 3.773 -6.955 269 HA SER 50 HA SER 50 0.224 2.368 -9.388 270 HB2 SER 50 HB2 SER 50 1.724 1.557 -6.891 271 HB3 SER 50 HB1 SER 50 1.776 0.675 -8.419 272 HG SER 50 HG SER 50 2.695 3.301 -7.866 273 H TYR 51 HN TYR 51 -0.883 1.876 -6.075 274 HA TYR 51 HA TYR 51 -2.038 -0.671 -6.517 275 HB2 TYR 51 HB2 TYR 51 -1.547 0.232 -4.259 276 HB3 TYR 51 HB1 TYR 51 -2.837 1.411 -4.468 277 HD1 TYR 51 HD1 TYR 51 -2.359 -2.295 -4.753 278 HD2 TYR 51 HD2 TYR 51 -4.858 0.905 -3.480 279 HE1 TYR 51 HE1 TYR 51 -3.977 -3.919 -3.862 280 HE2 TYR 51 HE2 TYR 51 -6.477 -0.712 -2.583 281 HH TYR 51 HH TYR 51 -7.111 -3.122 -3.012 282 H CYS 52 HN CYS 52 -3.156 2.603 -6.993 283 HA CYS 52 HA CYS 52 -5.895 2.087 -7.322 284 HB2 CYS 52 HB2 CYS 52 -4.219 4.231 -8.653 285 HB3 CYS 52 HB1 CYS 52 -5.973 4.240 -8.502 286 HG CYS 52 HG CYS 52 -3.711 4.517 -5.944 287 H GLN 53 HN GLN 53 -3.198 2.049 -9.602 288 HA GLN 53 HA GLN 53 -4.711 1.577 -11.937 289 HB2 GLN 53 HB2 GLN 53 -1.869 0.713 -11.388 290 HB3 GLN 53 HB1 GLN 53 -2.606 0.958 -12.964 291 HG2 GLN 53 HG2 GLN 53 -2.581 3.267 -12.757 292 HG3 GLN 53 HG1 GLN 53 -2.437 3.204 -11.001 293 HE21 GLN 53 HE21 GLN 53 -0.820 4.655 -12.905 294 HE22 GLN 53 HE22 GLN 53 0.802 4.097 -12.692 295 H ARG 54 HN ARG 54 -3.368 -0.517 -9.479 296 HA ARG 54 HA ARG 54 -3.695 -2.977 -10.809 297 HB2 ARG 54 HB2 ARG 54 -2.267 -2.735 -8.842 298 HB3 ARG 54 HB1 ARG 54 -3.664 -2.348 -7.850 299 HG2 ARG 54 HG2 ARG 54 -3.304 -4.557 -7.335 300 HG3 ARG 54 HG1 ARG 54 -4.526 -4.674 -8.599 301 HD2 ARG 54 HD2 ARG 54 -2.677 -5.009 -10.246 302 HD3 ARG 54 HD1 ARG 54 -1.554 -5.085 -8.889 303 HE ARG 54 HE ARG 54 -3.712 -6.930 -8.599 304 HH11 ARG 54 HH11 ARG 54 -0.639 -6.436 -10.205 305 HH12 ARG 54 HH12 ARG 54 -0.317 -8.131 -10.386 306 HH21 ARG 54 HH21 ARG 54 -3.282 -9.169 -8.826 307 HH22 ARG 54 HH22 ARG 54 -1.812 -9.682 -9.597 308 H GLN 55 HN GLN 55 -5.817 -1.153 -8.638 309 HA GLN 55 HA GLN 55 -7.878 -3.181 -8.774 310 HB2 GLN 55 HB2 GLN 55 -7.924 -0.429 -7.527 311 HB3 GLN 55 HB1 GLN 55 -9.150 -1.671 -7.318 312 HG2 GLN 55 HG2 GLN 55 -6.280 -1.834 -6.420 313 HG3 GLN 55 HG1 GLN 55 -7.689 -1.570 -5.392 314 HE21 GLN 55 HE21 GLN 55 -9.150 -3.268 -5.075 315 HE22 GLN 55 HE22 GLN 55 -8.691 -4.913 -5.342 316 H GLY 56 HN GLY 56 -6.937 -0.642 -10.742 317 HA2 GLY 56 HA2 GLY 56 -7.909 0.207 -12.652 318 HA3 GLY 56 HA1 GLY 56 -9.255 -0.894 -12.394 319 H VAL 57 HN VAL 57 -8.021 1.578 -10.219 320 HA VAL 57 HA VAL 57 -10.518 3.101 -10.566 321 HB VAL 57 HB VAL 57 -10.516 3.538 -8.104 322 HG11 VAL 57 HG11 VAL 57 -11.358 1.291 -7.436 323 HG12 VAL 57 HG12 VAL 57 -10.793 0.672 -8.989 324 HG13 VAL 57 HG13 VAL 57 -12.052 1.906 -8.935 325 HG21 VAL 57 HG21 VAL 57 -8.240 3.106 -7.535 326 HG22 VAL 57 HG22 VAL 57 -8.353 1.444 -8.114 327 HG23 VAL 57 HG23 VAL 57 -9.240 1.936 -6.671 328 HA PRO 58 HA PRO 58 -7.817 6.620 -10.684 329 HB2 PRO 58 HB2 PRO 58 -9.341 8.571 -9.595 330 HB3 PRO 58 HB1 PRO 58 -9.686 7.888 -11.190 331 HG2 PRO 58 HG2 PRO 58 -10.977 7.282 -8.570 332 HG3 PRO 58 HG1 PRO 58 -11.721 7.495 -10.166 333 HD2 PRO 58 HD2 PRO 58 -11.252 5.052 -9.083 334 HD3 PRO 58 HD1 PRO 58 -11.240 5.357 -10.830 335 H MET 59 HN MET 59 -6.955 8.453 -9.179 336 HA MET 59 HA MET 59 -6.044 7.164 -6.775 337 HB2 MET 59 HB2 MET 59 -4.760 8.803 -8.378 338 HB3 MET 59 HB1 MET 59 -5.484 10.043 -7.361 339 HG2 MET 59 HG2 MET 59 -4.430 9.132 -5.406 340 HG3 MET 59 HG1 MET 59 -3.818 7.762 -6.329 341 HE1 MET 59 HE1 MET 59 -1.854 9.405 -4.514 342 HE2 MET 59 HE2 MET 59 -0.489 9.574 -5.618 343 HE3 MET 59 HE3 MET 59 -1.393 8.059 -5.557 344 H ASN 60 HN ASN 60 -6.139 8.149 -4.652 345 HA ASN 60 HA ASN 60 -7.215 9.009 -2.847 346 HB2 ASN 60 HB2 ASN 60 -7.178 11.093 -4.529 347 HB3 ASN 60 HB1 ASN 60 -8.919 10.853 -4.453 348 HD21 ASN 60 HD21 ASN 60 -9.975 11.082 -2.446 349 HD22 ASN 60 HD22 ASN 60 -9.253 11.974 -1.149 350 H SER 61 HN SER 61 -8.218 6.761 -4.244 351 HA SER 61 HA SER 61 -11.124 6.976 -3.934 352 HB2 SER 61 HB2 SER 61 -11.002 4.659 -5.061 353 HB3 SER 61 HB1 SER 61 -10.597 6.066 -6.047 354 HG SER 61 HG SER 61 -8.698 5.221 -6.324 355 H LEU 62 HN LEU 62 -8.306 5.162 -2.863 356 HA LEU 62 HA LEU 62 -9.944 3.995 -0.716 357 HB2 LEU 62 HB2 LEU 62 -7.553 2.739 -2.067 358 HB3 LEU 62 HB1 LEU 62 -8.497 2.028 -0.773 359 HG LEU 62 HG LEU 62 -10.107 2.745 -3.109 360 HD11 LEU 62 HD11 LEU 62 -9.292 0.891 -4.496 361 HD12 LEU 62 HD12 LEU 62 -7.948 0.659 -3.377 362 HD13 LEU 62 HD13 LEU 62 -8.078 2.158 -4.298 363 HD21 LEU 62 HD21 LEU 62 -9.703 0.164 -1.603 364 HD22 LEU 62 HD22 LEU 62 -11.001 0.522 -2.741 365 HD23 LEU 62 HD23 LEU 62 -10.901 1.397 -1.213 366 H ARG 63 HN ARG 63 -8.937 3.717 1.302 367 HA ARG 63 HA ARG 63 -6.598 5.466 1.700 368 HB2 ARG 63 HB2 ARG 63 -7.363 5.742 4.012 369 HB3 ARG 63 HB1 ARG 63 -8.604 6.241 2.869 370 HG2 ARG 63 HG2 ARG 63 -9.786 4.143 3.204 371 HG3 ARG 63 HG1 ARG 63 -8.525 3.597 4.309 372 HD2 ARG 63 HD2 ARG 63 -9.077 5.273 5.901 373 HD3 ARG 63 HD1 ARG 63 -10.136 6.099 4.757 374 HE ARG 63 HE ARG 63 -10.750 3.742 6.326 375 HH11 ARG 63 HH11 ARG 63 -11.649 5.807 3.641 376 HH12 ARG 63 HH12 ARG 63 -13.303 5.266 3.623 377 HH21 ARG 63 HH21 ARG 63 -14.019 3.685 5.120 378 HH22 ARG 63 HH22 ARG 63 -12.917 3.020 6.284 379 H PHE 64 HN PHE 64 -4.860 4.737 2.845 380 HA PHE 64 HA PHE 64 -4.799 1.842 3.356 381 HB2 PHE 64 HB2 PHE 64 -2.478 3.754 3.000 382 HB3 PHE 64 HB1 PHE 64 -2.375 2.002 3.129 383 HD1 PHE 64 HD1 PHE 64 -3.023 4.815 0.954 384 HD2 PHE 64 HD2 PHE 64 -3.226 0.580 1.297 385 HE1 PHE 64 HE1 PHE 64 -3.248 4.633 -1.491 386 HE2 PHE 64 HE2 PHE 64 -3.450 0.387 -1.144 387 HZ PHE 64 HZ PHE 64 -3.459 2.413 -2.541 388 H LEU 65 HN LEU 65 -5.161 1.367 5.412 389 HA LEU 65 HA LEU 65 -4.306 3.277 7.469 390 HB2 LEU 65 HB2 LEU 65 -6.339 1.057 7.557 391 HB3 LEU 65 HB1 LEU 65 -5.877 2.024 8.943 392 HG LEU 65 HG LEU 65 -7.063 3.205 6.438 393 HD11 LEU 65 HD11 LEU 65 -8.449 2.392 8.989 394 HD12 LEU 65 HD12 LEU 65 -8.653 1.634 7.411 395 HD13 LEU 65 HD13 LEU 65 -9.177 3.298 7.663 396 HD21 LEU 65 HD21 LEU 65 -7.552 5.095 7.943 397 HD22 LEU 65 HD22 LEU 65 -5.823 4.784 7.790 398 HD23 LEU 65 HD23 LEU 65 -6.686 4.264 9.237 399 H PHE 66 HN PHE 66 -2.748 2.832 8.793 400 HA PHE 66 HA PHE 66 -1.981 0.045 9.298 401 HB2 PHE 66 HB2 PHE 66 -0.337 0.789 7.713 402 HB3 PHE 66 HB1 PHE 66 -0.141 2.327 8.547 403 HD1 PHE 66 HD1 PHE 66 0.129 -1.323 9.283 404 HD2 PHE 66 HD2 PHE 66 1.723 2.580 9.854 405 HE1 PHE 66 HE1 PHE 66 1.971 -2.275 10.610 406 HE2 PHE 66 HE2 PHE 66 3.568 1.636 11.180 407 HZ PHE 66 HZ PHE 66 3.696 -0.794 11.561 408 H GLU 67 HN GLU 67 -2.265 -0.276 11.383 409 HA GLU 67 HA GLU 67 -2.302 -0.023 13.633 410 HB2 GLU 67 HB2 GLU 67 -0.221 2.051 12.962 411 HB3 GLU 67 HB1 GLU 67 -0.702 1.698 14.614 412 HG2 GLU 67 HG2 GLU 67 0.430 -0.304 12.678 413 HG3 GLU 67 HG1 GLU 67 1.343 0.519 13.942 414 H GLY 68 HN GLY 68 -4.069 1.586 11.814 415 HA2 GLY 68 HA2 GLY 68 -5.991 2.774 12.501 416 HA3 GLY 68 HA1 GLY 68 -5.108 3.355 13.905 417 H GLN 69 HN GLN 69 -2.874 3.880 11.752 418 HA GLN 69 HA GLN 69 -3.798 6.608 11.221 419 HB2 GLN 69 HB2 GLN 69 -1.020 5.420 11.041 420 HB3 GLN 69 HB1 GLN 69 -1.428 7.114 10.822 421 HG2 GLN 69 HG2 GLN 69 -2.425 6.915 13.206 422 HG3 GLN 69 HG1 GLN 69 -1.397 5.489 13.318 423 HE21 GLN 69 HE21 GLN 69 -1.299 8.049 14.743 424 HE22 GLN 69 HE22 GLN 69 0.285 8.681 14.469 425 H ARG 70 HN ARG 70 -3.709 7.520 9.131 426 HA ARG 70 HA ARG 70 -3.770 5.512 7.001 427 HB2 ARG 70 HB2 ARG 70 -4.822 7.355 5.637 428 HB3 ARG 70 HB1 ARG 70 -5.763 6.800 7.011 429 HG2 ARG 70 HG2 ARG 70 -4.865 8.764 8.291 430 HG3 ARG 70 HG1 ARG 70 -4.190 9.348 6.768 431 HD2 ARG 70 HD2 ARG 70 -7.100 8.665 7.096 432 HD3 ARG 70 HD1 ARG 70 -6.460 10.267 7.444 433 HE ARG 70 HE ARG 70 -5.706 10.293 5.070 434 HH11 ARG 70 HH11 ARG 70 -9.117 8.254 4.451 435 HH12 ARG 70 HH12 ARG 70 -8.398 8.254 6.034 436 HH21 ARG 70 HH21 ARG 70 -8.152 9.406 2.742 437 HH22 ARG 70 HH22 ARG 70 -6.683 10.305 3.007 438 H ILE 71 HN ILE 71 -2.318 5.394 5.456 439 HA ILE 71 HA ILE 71 0.146 6.753 5.647 440 HB ILE 71 HB ILE 71 -0.950 5.205 3.296 441 HG12 ILE 71 HG12 ILE 71 -0.964 3.906 5.409 442 HG13 ILE 71 HG11 ILE 71 0.177 3.260 4.235 443 HG21 ILE 71 HG21 ILE 71 0.981 6.570 2.713 444 HG22 ILE 71 HG22 ILE 71 1.389 4.857 2.689 445 HG23 ILE 71 HG23 ILE 71 1.893 5.864 4.045 446 HD11 ILE 71 HD11 ILE 71 0.852 4.973 6.615 447 HD12 ILE 71 HD12 ILE 71 2.008 4.354 5.434 448 HD13 ILE 71 HD13 ILE 71 1.113 3.235 6.465 449 H ALA 72 HN ALA 72 0.751 8.668 4.925 450 HA ALA 72 HA ALA 72 -1.032 10.197 3.205 451 HB1 ALA 72 HB1 ALA 72 1.547 11.067 4.502 452 HB2 ALA 72 HB2 ALA 72 -0.047 11.208 5.244 453 HB3 ALA 72 HB3 ALA 72 0.321 12.103 3.769 454 H ASP 73 HN ASP 73 0.003 11.538 1.475 455 HA ASP 73 HA ASP 73 1.362 9.793 -0.354 456 HB2 ASP 73 HB2 ASP 73 0.369 12.629 -0.522 457 HB3 ASP 73 HB1 ASP 73 1.328 11.917 -1.816 458 H ASN 74 HN ASN 74 2.538 11.654 2.109 459 HA ASN 74 HA ASN 74 5.077 12.114 0.685 460 HB2 ASN 74 HB2 ASN 74 5.513 14.001 2.098 461 HB3 ASN 74 HB1 ASN 74 3.880 14.185 1.472 462 HD21 ASN 74 HD21 ASN 74 5.838 13.761 4.253 463 HD22 ASN 74 HD22 ASN 74 4.575 13.881 5.429 464 H HIS 75 HN HIS 75 3.804 9.891 2.520 465 HA HIS 75 HA HIS 75 5.745 9.792 4.665 466 HB2 HIS 75 HB2 HIS 75 3.418 8.088 3.848 467 HB3 HIS 75 HB1 HIS 75 4.609 7.462 4.982 468 HD2 HIS 75 HD2 HIS 75 4.796 10.648 6.373 469 HE1 HIS 75 HE1 HIS 75 0.978 9.404 7.707 470 HE2 HIS 75 HE2 HIS 75 2.869 11.051 8.061 471 H THR 76 HN THR 76 7.238 8.088 4.978 472 HA THR 76 HA THR 76 8.063 6.754 2.480 473 HB THR 76 HB THR 76 10.394 6.812 3.454 474 HG1 THR 76 HG1 THR 76 9.063 8.501 5.335 475 HG21 THR 76 HG21 THR 76 9.781 8.352 1.696 476 HG22 THR 76 HG22 THR 76 10.791 9.187 2.877 477 HG23 THR 76 HG23 THR 76 9.047 9.447 2.867 478 HA PRO 77 HA PRO 77 7.754 2.912 4.680 479 HB2 PRO 77 HB2 PRO 77 10.173 1.868 3.417 480 HB3 PRO 77 HB1 PRO 77 8.487 1.408 3.151 481 HG2 PRO 77 HG2 PRO 77 9.928 2.717 1.289 482 HG3 PRO 77 HG1 PRO 77 8.177 2.935 1.476 483 HD2 PRO 77 HD2 PRO 77 10.406 4.695 2.418 484 HD3 PRO 77 HD1 PRO 77 8.852 5.137 1.680 485 H LYS 78 HN LYS 78 10.229 5.019 5.244 486 HA LYS 78 HA LYS 78 11.775 3.286 6.989 487 HB2 LYS 78 HB2 LYS 78 12.888 4.982 5.532 488 HB3 LYS 78 HB1 LYS 78 12.090 6.246 6.454 489 HG2 LYS 78 HG2 LYS 78 14.365 6.008 7.200 490 HG3 LYS 78 HG1 LYS 78 13.265 5.491 8.478 491 HD2 LYS 78 HD2 LYS 78 15.049 3.910 8.393 492 HD3 LYS 78 HD1 LYS 78 13.625 3.132 7.706 493 HE2 LYS 78 HE2 LYS 78 14.437 3.536 5.464 494 HE3 LYS 78 HE1 LYS 78 15.816 4.434 6.095 495 HZ1 LYS 78 HZ1 LYS 78 15.269 1.545 6.494 496 HZ2 LYS 78 HZ2 LYS 78 16.555 2.389 7.194 497 HZ3 LYS 78 HZ3 LYS 78 16.477 2.212 5.514 498 H GLU 79 HN GLU 79 9.236 5.627 7.183 499 HA GLU 79 HA GLU 79 9.582 5.858 10.078 500 HB2 GLU 79 HB2 GLU 79 7.895 7.639 9.961 501 HB3 GLU 79 HB1 GLU 79 9.245 7.954 8.883 502 HG2 GLU 79 HG2 GLU 79 7.742 6.855 7.084 503 HG3 GLU 79 HG1 GLU 79 6.438 7.192 8.225 504 H LEU 80 HN LEU 80 7.442 5.889 11.318 505 HA LEU 80 HA LEU 80 5.571 4.877 12.087 506 HB2 LEU 80 HB2 LEU 80 5.338 4.289 9.197 507 HB3 LEU 80 HB1 LEU 80 4.381 3.303 10.282 508 HG LEU 80 HG LEU 80 4.291 6.318 10.304 509 HD11 LEU 80 HD11 LEU 80 3.575 5.636 8.117 510 HD12 LEU 80 HD12 LEU 80 2.149 6.047 9.069 511 HD13 LEU 80 HD13 LEU 80 2.570 4.357 8.797 512 HD21 LEU 80 HD21 LEU 80 2.116 5.883 11.420 513 HD22 LEU 80 HD22 LEU 80 3.513 5.327 12.343 514 HD23 LEU 80 HD23 LEU 80 2.525 4.166 11.456 515 H GLY 81 HN GLY 81 7.280 2.627 9.905 516 HA2 GLY 81 HA2 GLY 81 8.646 0.914 11.083 517 HA3 GLY 81 HA1 GLY 81 7.255 0.686 12.132 518 H MET 82 HN MET 82 8.343 0.401 8.782 519 HA MET 82 HA MET 82 6.162 -1.470 8.242 520 HB2 MET 82 HB2 MET 82 8.154 -0.095 6.438 521 HB3 MET 82 HB1 MET 82 7.073 -1.360 5.872 522 HG2 MET 82 HG2 MET 82 5.187 0.095 6.801 523 HG3 MET 82 HG1 MET 82 6.389 1.377 6.870 524 HE1 MET 82 HE1 MET 82 3.542 1.151 5.192 525 HE2 MET 82 HE2 MET 82 3.990 2.040 3.735 526 HE3 MET 82 HE3 MET 82 4.469 2.643 5.321 527 H GLU 83 HN GLU 83 6.493 -3.530 8.597 528 HA GLU 83 HA GLU 83 9.223 -4.600 8.290 529 HB2 GLU 83 HB2 GLU 83 7.060 -5.240 10.284 530 HB3 GLU 83 HB1 GLU 83 8.365 -6.368 9.957 531 HG2 GLU 83 HG2 GLU 83 8.833 -3.529 10.810 532 HG3 GLU 83 HG1 GLU 83 8.680 -4.869 11.946 533 H GLU 84 HN GLU 84 9.246 -6.978 7.832 534 HA GLU 84 HA GLU 84 7.651 -7.541 5.534 535 HB2 GLU 84 HB2 GLU 84 9.887 -8.376 5.561 536 HB3 GLU 84 HB1 GLU 84 9.657 -9.140 7.125 537 HG2 GLU 84 HG2 GLU 84 9.691 -10.864 5.521 538 HG3 GLU 84 HG1 GLU 84 8.016 -10.678 6.027 539 H GLU 85 HN GLU 85 5.957 -8.956 5.299 540 HA GLU 85 HA GLU 85 4.158 -10.225 5.826 541 HB2 GLU 85 HB2 GLU 85 5.835 -10.904 8.236 542 HB3 GLU 85 HB1 GLU 85 4.237 -11.585 7.974 543 HG2 GLU 85 HG2 GLU 85 6.481 -11.820 5.993 544 HG3 GLU 85 HG1 GLU 85 6.163 -13.013 7.248 545 H ASP 86 HN ASP 86 4.509 -7.396 6.705 546 HA ASP 86 HA ASP 86 2.938 -7.139 9.103 547 HB2 ASP 86 HB2 ASP 86 4.687 -5.466 7.989 548 HB3 ASP 86 HB1 ASP 86 3.239 -4.869 7.184 549 H VAL 87 HN VAL 87 0.818 -6.019 9.105 550 HA VAL 87 HA VAL 87 -0.731 -6.759 6.704 551 HB VAL 87 HB VAL 87 -1.774 -6.697 9.539 552 HG11 VAL 87 HG11 VAL 87 -3.467 -6.254 7.835 553 HG12 VAL 87 HG12 VAL 87 -3.726 -7.822 8.601 554 HG13 VAL 87 HG13 VAL 87 -3.010 -7.735 6.992 555 HG21 VAL 87 HG21 VAL 87 -0.975 -9.054 7.833 556 HG22 VAL 87 HG22 VAL 87 -1.817 -9.157 9.380 557 HG23 VAL 87 HG23 VAL 87 -0.177 -8.508 9.309 558 H ILE 88 HN ILE 88 -1.668 -5.151 5.671 559 HA ILE 88 HA ILE 88 -2.238 -2.661 7.146 560 HB ILE 88 HB ILE 88 -0.391 -2.356 5.543 561 HG12 ILE 88 HG12 ILE 88 -2.904 -0.965 4.597 562 HG13 ILE 88 HG11 ILE 88 -2.009 -0.517 6.045 563 HG21 ILE 88 HG21 ILE 88 -2.407 -3.149 3.450 564 HG22 ILE 88 HG22 ILE 88 -0.972 -4.061 3.925 565 HG23 ILE 88 HG23 ILE 88 -0.797 -2.493 3.137 566 HD11 ILE 88 HD11 ILE 88 -1.264 0.986 4.456 567 HD12 ILE 88 HD12 ILE 88 -1.220 -0.229 3.180 568 HD13 ILE 88 HD13 ILE 88 -0.005 -0.249 4.455 569 H GLU 89 HN GLU 89 -4.202 -1.631 6.709 570 HA GLU 89 HA GLU 89 -6.165 -3.335 5.326 571 HB2 GLU 89 HB2 GLU 89 -6.792 -1.168 7.322 572 HB3 GLU 89 HB1 GLU 89 -7.837 -2.474 6.775 573 HG2 GLU 89 HG2 GLU 89 -6.445 -4.096 7.915 574 HG3 GLU 89 HG1 GLU 89 -5.339 -2.821 8.420 575 H VAL 90 HN VAL 90 -7.366 -2.538 3.689 576 HA VAL 90 HA VAL 90 -7.107 0.326 3.085 577 HB VAL 90 HB VAL 90 -5.613 -0.818 1.567 578 HG11 VAL 90 HG11 VAL 90 -7.984 -2.515 0.819 579 HG12 VAL 90 HG12 VAL 90 -6.509 -3.047 1.626 580 HG13 VAL 90 HG13 VAL 90 -6.448 -2.491 -0.046 581 HG21 VAL 90 HG21 VAL 90 -6.524 -0.097 -0.570 582 HG22 VAL 90 HG22 VAL 90 -6.884 1.080 0.693 583 HG23 VAL 90 HG23 VAL 90 -8.141 -0.022 0.132 584 H TYR 91 HN TYR 91 -8.982 1.326 2.730 585 HA TYR 91 HA TYR 91 -11.323 -0.259 1.954 586 HB2 TYR 91 HB2 TYR 91 -11.167 1.639 4.302 587 HB3 TYR 91 HB1 TYR 91 -12.685 1.070 3.614 588 HD1 TYR 91 HD1 TYR 91 -13.077 -1.463 3.554 589 HD2 TYR 91 HD2 TYR 91 -10.058 0.371 5.928 590 HE1 TYR 91 HE1 TYR 91 -12.959 -3.478 4.952 591 HE2 TYR 91 HE2 TYR 91 -9.933 -1.643 7.334 592 HH TYR 91 HH TYR 91 -11.508 -4.595 6.454 593 H GLN 92 HN GLN 92 -13.067 1.028 1.064 594 HA GLN 92 HA GLN 92 -12.077 3.041 -0.697 595 HB2 GLN 92 HB2 GLN 92 -13.844 1.437 -1.340 596 HB3 GLN 92 HB1 GLN 92 -14.927 2.180 -0.173 597 HG2 GLN 92 HG2 GLN 92 -14.961 4.227 -1.408 598 HG3 GLN 92 HG1 GLN 92 -13.697 3.649 -2.491 599 HE21 GLN 92 HE21 GLN 92 -17.044 3.380 -1.594 600 HE22 GLN 92 HE22 GLN 92 -17.562 2.549 -3.022 601 H GLU 93 HN GLU 93 -12.249 5.186 -0.630 602 HA GLU 93 HA GLU 93 -12.809 6.456 1.864 603 HB2 GLU 93 HB2 GLU 93 -12.144 7.527 -0.877 604 HB3 GLU 93 HB1 GLU 93 -12.363 8.553 0.535 605 HG2 GLU 93 HG2 GLU 93 -10.374 6.310 0.492 606 HG3 GLU 93 HG1 GLU 93 -9.987 7.924 -0.103 607 H GLN 94 HN GLN 94 -14.318 8.158 2.205 608 HA GLN 94 HA GLN 94 -16.942 7.516 1.367 609 HB2 GLN 94 HB2 GLN 94 -16.466 8.506 3.549 610 HB3 GLN 94 HB1 GLN 94 -15.880 9.970 2.775 611 HG2 GLN 94 HG2 GLN 94 -18.101 10.425 1.912 612 HG3 GLN 94 HG1 GLN 94 -18.697 8.928 2.625 613 HE21 GLN 94 HE21 GLN 94 -20.224 10.150 3.784 614 HE22 GLN 94 HE22 GLN 94 -19.766 11.040 5.197 615 H THR 95 HN THR 95 -14.521 9.686 0.173 616 HA THR 95 HA THR 95 -16.317 11.272 -1.408 617 HB THR 95 HB THR 95 -13.765 11.592 -2.471 618 HG1 THR 95 HG1 THR 95 -12.458 11.747 -0.582 619 HG21 THR 95 HG21 THR 95 -15.423 13.340 -1.866 620 HG22 THR 95 HG22 THR 95 -13.796 13.712 -1.299 621 HG23 THR 95 HG23 THR 95 -15.006 13.102 -0.171 622 H GLY 96 HN GLY 96 -15.117 8.171 -1.725 623 HA2 GLY 96 HA2 GLY 96 -15.504 6.664 -3.442 624 HA3 GLY 96 HA1 GLY 96 -16.069 7.991 -4.442 625 H GLY 97 HN GLY 97 -14.111 9.624 -4.842 626 HA2 GLY 97 HA2 GLY 97 -11.500 8.653 -5.087 627 HA3 GLY 97 HA1 GLY 97 -12.346 8.281 -6.582 628 H1 ASP 195 HN ASP 195 -8.045 -20.592 -5.418 629 HA ASP 195 HA ASP 195 -9.468 -18.805 -4.133 630 HB2 ASP 195 HB2 ASP 195 -7.908 -19.686 -2.114 631 HB3 ASP 195 HB1 ASP 195 -6.926 -18.338 -2.680 632 H THR 196 HN THR 196 -8.049 -16.470 -3.886 633 HA THR 196 HA THR 196 -6.560 -16.367 -6.434 634 HB THR 196 HB THR 196 -7.770 -13.842 -5.548 635 HG1 THR 196 HG1 THR 196 -9.320 -16.149 -5.916 636 HG21 THR 196 HG21 THR 196 -8.353 -13.684 -7.915 637 HG22 THR 196 HG22 THR 196 -7.855 -15.357 -8.165 638 HG23 THR 196 HG23 THR 196 -6.661 -14.137 -7.722 639 H ALA 197 HN ALA 197 -4.535 -15.644 -6.314 640 HA ALA 197 HA ALA 197 -3.763 -14.015 -3.978 641 HB1 ALA 197 HB1 ALA 197 -1.502 -15.018 -4.191 642 HB2 ALA 197 HB2 ALA 197 -2.127 -16.092 -5.442 643 HB3 ALA 197 HB3 ALA 197 -2.740 -16.206 -3.795 644 H GLY 198 HN GLY 198 -2.958 -12.076 -4.457 645 HA2 GLY 198 HA2 GLY 198 -2.075 -11.613 -7.239 646 HA3 GLY 198 HA1 GLY 198 -3.006 -10.436 -6.324 647 H CYS 199 HN CYS 199 -0.082 -10.825 -7.492 648 HA CYS 199 HA CYS 199 1.212 -9.588 -5.146 649 HB2 CYS 199 HB2 CYS 199 2.503 -11.235 -7.334 650 HB3 CYS 199 HB1 CYS 199 3.355 -10.456 -6.003 651 HG CYS 199 HG CYS 199 1.297 -12.124 -4.350 652 H ILE 200 HN ILE 200 1.913 -7.565 -5.422 653 HA ILE 200 HA ILE 200 2.115 -6.573 -8.187 654 HB ILE 200 HB ILE 200 0.177 -5.567 -7.389 655 HG12 ILE 200 HG12 ILE 200 2.287 -3.527 -6.680 656 HG13 ILE 200 HG11 ILE 200 1.865 -3.962 -8.333 657 HG21 ILE 200 HG21 ILE 200 1.558 -4.944 -4.784 658 HG22 ILE 200 HG22 ILE 200 0.393 -6.240 -5.051 659 HG23 ILE 200 HG23 ILE 200 -0.111 -4.558 -5.202 660 HD11 ILE 200 HD11 ILE 200 0.067 -2.701 -6.277 661 HD12 ILE 200 HD12 ILE 200 -0.456 -3.242 -7.873 662 HD13 ILE 200 HD13 ILE 200 0.724 -1.940 -7.729 663 H VAL 201 HN VAL 201 3.923 -5.549 -8.775 664 HA VAL 201 HA VAL 201 5.863 -4.902 -6.657 665 HB VAL 201 HB VAL 201 6.587 -6.845 -7.993 666 HG11 VAL 201 HG11 VAL 201 6.437 -4.903 -10.290 667 HG12 VAL 201 HG12 VAL 201 5.575 -6.429 -10.110 668 HG13 VAL 201 HG13 VAL 201 7.319 -6.427 -10.353 669 HG21 VAL 201 HG21 VAL 201 8.270 -5.459 -6.984 670 HG22 VAL 201 HG22 VAL 201 8.215 -4.331 -8.337 671 HG23 VAL 201 HG23 VAL 201 8.834 -5.965 -8.577 672 H ILE 202 HN ILE 202 6.660 -2.933 -6.615 673 HA ILE 202 HA ILE 202 6.110 -1.096 -8.847 674 HB ILE 202 HB ILE 202 4.612 -0.515 -7.085 675 HG12 ILE 202 HG12 ILE 202 6.988 1.329 -6.802 676 HG13 ILE 202 HG11 ILE 202 5.881 1.364 -8.173 677 HG21 ILE 202 HG21 ILE 202 6.996 -0.608 -5.235 678 HG22 ILE 202 HG22 ILE 202 5.639 -1.734 -5.257 679 HG23 ILE 202 HG23 ILE 202 5.383 -0.053 -4.790 680 HD11 ILE 202 HD11 ILE 202 5.524 3.032 -6.277 681 HD12 ILE 202 HD12 ILE 202 4.899 1.659 -5.364 682 HD13 ILE 202 HD13 ILE 202 4.124 2.145 -6.872 683 H SEP 203 HN SEP 203 7.837 0.192 -9.534 684 HA SEP 203 HA SEP 203 10.274 0.007 -7.878 685 HB2 SEP 203 HB1 SEP 203 10.204 0.640 -10.827 686 HB3 SEP 203 HB2 SEP 203 10.168 -1.026 -10.263 687 H ASP 204 HN ASP 204 10.604 1.824 -6.838 688 HA ASP 204 HA ASP 204 10.229 4.342 -8.250 689 HB2 ASP 204 HB2 ASP 204 8.212 3.962 -6.930 690 HB3 ASP 204 HB1 ASP 204 9.179 3.866 -5.484 691 H SEP 205 HN SEP 205 11.841 5.743 -7.960 692 HA SEP 205 HA SEP 205 13.622 5.393 -5.661 693 HB2 SEP 205 HB1 SEP 205 15.200 6.338 -7.711 694 HB3 SEP 205 HB2 SEP 205 14.307 4.975 -8.381 695 H GLU 206 HN GLU 206 14.327 7.241 -4.657 696 HA GLU 206 HA GLU 206 13.263 9.765 -5.255 697 HB2 GLU 206 HB2 GLU 206 14.191 9.605 -3.104 698 HB3 GLU 206 HB1 GLU 206 15.678 8.872 -3.693 699 HG2 GLU 206 HG2 GLU 206 15.862 11.235 -2.840 700 HG3 GLU 206 HG1 GLU 206 16.509 10.944 -4.451 Start of MODEL 7 1 H1 TYR 21 HN TYR 21 13.783 -6.855 -0.148 2 HA TYR 21 HA TYR 21 11.980 -4.981 -1.163 3 HB2 TYR 21 HB2 TYR 21 11.581 -7.803 -2.140 4 HB3 TYR 21 HB1 TYR 21 10.232 -6.685 -1.975 5 HD1 TYR 21 HD1 TYR 21 9.874 -4.940 -3.573 6 HD2 TYR 21 HD2 TYR 21 13.381 -7.340 -3.776 7 HE1 TYR 21 HE1 TYR 21 10.350 -4.045 -5.813 8 HE2 TYR 21 HE2 TYR 21 13.867 -6.448 -6.014 9 HH TYR 21 HH TYR 21 12.437 -3.730 -7.280 10 H ILE 22 HN ILE 22 10.043 -4.895 0.038 11 HA ILE 22 HA ILE 22 10.110 -6.528 2.490 12 HB ILE 22 HB ILE 22 8.737 -3.863 2.056 13 HG12 ILE 22 HG12 ILE 22 11.184 -3.632 1.974 14 HG13 ILE 22 HG11 ILE 22 10.519 -2.889 3.424 15 HG21 ILE 22 HG21 ILE 22 9.178 -5.500 4.547 16 HG22 ILE 22 HG22 ILE 22 7.635 -5.181 3.755 17 HG23 ILE 22 HG23 ILE 22 8.525 -3.862 4.519 18 HD11 ILE 22 HD11 ILE 22 11.949 -5.526 3.228 19 HD12 ILE 22 HD12 ILE 22 11.159 -4.931 4.687 20 HD13 ILE 22 HD13 ILE 22 12.525 -4.050 4.000 21 H LYS 23 HN LYS 23 8.666 -8.099 2.548 22 HA LYS 23 HA LYS 23 6.454 -8.158 0.689 23 HB2 LYS 23 HB2 LYS 23 7.711 -10.188 1.114 24 HB3 LYS 23 HB1 LYS 23 7.347 -10.094 2.829 25 HG2 LYS 23 HG2 LYS 23 5.103 -10.668 2.500 26 HG3 LYS 23 HG1 LYS 23 5.187 -10.346 0.772 27 HD2 LYS 23 HD2 LYS 23 5.177 -12.706 1.038 28 HD3 LYS 23 HD1 LYS 23 6.820 -12.245 0.592 29 HE2 LYS 23 HE2 LYS 23 6.226 -12.358 3.488 30 HE3 LYS 23 HE1 LYS 23 6.233 -13.898 2.632 31 HZ1 LYS 23 HZ1 LYS 23 8.408 -13.692 3.257 32 HZ2 LYS 23 HZ2 LYS 23 8.442 -12.007 3.074 33 HZ3 LYS 23 HZ3 LYS 23 8.472 -13.012 1.709 34 H LEU 24 HN LEU 24 4.723 -6.991 1.118 35 HA LEU 24 HA LEU 24 3.678 -6.963 3.872 36 HB2 LEU 24 HB2 LEU 24 3.261 -4.947 1.662 37 HB3 LEU 24 HB1 LEU 24 2.560 -4.857 3.265 38 HG LEU 24 HG LEU 24 5.522 -4.768 2.690 39 HD11 LEU 24 HD11 LEU 24 3.552 -2.567 3.266 40 HD12 LEU 24 HD12 LEU 24 4.513 -2.790 1.804 41 HD13 LEU 24 HD13 LEU 24 5.304 -2.379 3.325 42 HD21 LEU 24 HD21 LEU 24 5.655 -3.999 5.032 43 HD22 LEU 24 HD22 LEU 24 5.050 -5.649 4.883 44 HD23 LEU 24 HD23 LEU 24 3.931 -4.325 5.210 45 H LYS 25 HN LYS 25 1.474 -7.328 4.191 46 HA LYS 25 HA LYS 25 0.065 -8.455 1.859 47 HB2 LYS 25 HB2 LYS 25 0.441 -9.440 4.584 48 HB3 LYS 25 HB1 LYS 25 -1.250 -9.417 4.101 49 HG2 LYS 25 HG2 LYS 25 -0.610 -10.690 2.060 50 HG3 LYS 25 HG1 LYS 25 1.019 -10.832 2.722 51 HD2 LYS 25 HD2 LYS 25 0.135 -12.004 4.671 52 HD3 LYS 25 HD1 LYS 25 -1.507 -11.828 4.042 53 HE2 LYS 25 HE2 LYS 25 -0.917 -13.172 2.097 54 HE3 LYS 25 HE1 LYS 25 0.738 -13.321 2.683 55 HZ1 LYS 25 HZ1 LYS 25 -0.373 -14.328 4.752 56 HZ2 LYS 25 HZ2 LYS 25 -0.245 -15.280 3.361 57 HZ3 LYS 25 HZ3 LYS 25 -1.724 -14.546 3.749 58 H VAL 26 HN VAL 26 -1.634 -7.378 1.183 59 HA VAL 26 HA VAL 26 -2.787 -5.299 2.882 60 HB VAL 26 HB VAL 26 -3.582 -5.862 0.031 61 HG11 VAL 26 HG11 VAL 26 -4.995 -4.350 1.317 62 HG12 VAL 26 HG12 VAL 26 -4.161 -3.500 0.017 63 HG13 VAL 26 HG13 VAL 26 -3.594 -3.340 1.680 64 HG21 VAL 26 HG21 VAL 26 -1.282 -4.136 0.942 65 HG22 VAL 26 HG22 VAL 26 -1.904 -4.238 -0.705 66 HG23 VAL 26 HG23 VAL 26 -1.153 -5.647 0.045 67 H ILE 27 HN ILE 27 -4.662 -5.555 3.885 68 HA ILE 27 HA ILE 27 -6.176 -8.012 3.371 69 HB ILE 27 HB ILE 27 -6.569 -6.108 5.676 70 HG12 ILE 27 HG12 ILE 27 -4.231 -6.872 5.674 71 HG13 ILE 27 HG11 ILE 27 -5.129 -7.572 7.017 72 HG21 ILE 27 HG21 ILE 27 -7.538 -8.091 6.764 73 HG22 ILE 27 HG22 ILE 27 -7.288 -9.006 5.279 74 HG23 ILE 27 HG23 ILE 27 -8.403 -7.640 5.293 75 HD11 ILE 27 HD11 ILE 27 -4.442 -8.964 4.436 76 HD12 ILE 27 HD12 ILE 27 -5.337 -9.670 5.783 77 HD13 ILE 27 HD13 ILE 27 -3.648 -9.199 5.993 78 H GLY 28 HN GLY 28 -7.776 -7.803 1.959 79 HA2 GLY 28 HA2 GLY 28 -9.178 -5.256 1.683 80 HA3 GLY 28 HA1 GLY 28 -9.328 -6.649 0.619 81 H GLN 29 HN GLN 29 -11.480 -5.113 1.718 82 HA GLN 29 HA GLN 29 -12.640 -6.519 3.923 83 HB2 GLN 29 HB2 GLN 29 -13.108 -4.124 3.290 84 HB3 GLN 29 HB1 GLN 29 -14.045 -4.733 1.936 85 HG2 GLN 29 HG2 GLN 29 -15.446 -4.105 3.845 86 HG3 GLN 29 HG1 GLN 29 -15.594 -5.810 3.425 87 HE21 GLN 29 HE21 GLN 29 -14.764 -7.365 4.819 88 HE22 GLN 29 HE22 GLN 29 -14.333 -7.003 6.456 89 H ASP 30 HN ASP 30 -12.414 -7.144 0.596 90 HA ASP 30 HA ASP 30 -14.807 -8.807 0.517 91 HB2 ASP 30 HB2 ASP 30 -14.200 -9.144 -1.864 92 HB3 ASP 30 HB1 ASP 30 -14.367 -7.443 -1.441 93 H SER 31 HN SER 31 -11.983 -9.247 1.870 94 HA SER 31 HA SER 31 -10.747 -11.014 2.528 95 HB2 SER 31 HB2 SER 31 -12.930 -12.705 1.292 96 HB3 SER 31 HB1 SER 31 -11.740 -13.234 2.481 97 HG SER 31 HG SER 31 -13.997 -11.619 2.798 98 H SER 32 HN SER 32 -9.265 -10.202 0.941 99 HA SER 32 HA SER 32 -8.399 -12.294 -0.917 100 HB2 SER 32 HB2 SER 32 -7.910 -10.332 -2.575 101 HB3 SER 32 HB1 SER 32 -9.545 -10.990 -2.507 102 HG SER 32 HG SER 32 -10.241 -9.114 -1.867 103 H GLU 33 HN GLU 33 -6.428 -12.673 -0.035 104 HA GLU 33 HA GLU 33 -4.969 -10.618 1.341 105 HB2 GLU 33 HB2 GLU 33 -4.406 -13.492 0.679 106 HB3 GLU 33 HB1 GLU 33 -3.173 -12.463 1.396 107 HG2 GLU 33 HG2 GLU 33 -4.399 -12.187 3.374 108 HG3 GLU 33 HG1 GLU 33 -5.883 -12.792 2.640 109 H ILE 34 HN ILE 34 -4.208 -9.024 0.082 110 HA ILE 34 HA ILE 34 -2.989 -9.664 -2.485 111 HB ILE 34 HB ILE 34 -2.798 -6.894 -1.461 112 HG12 ILE 34 HG12 ILE 34 -5.095 -7.706 -0.724 113 HG13 ILE 34 HG11 ILE 34 -5.084 -6.312 -1.795 114 HG21 ILE 34 HG21 ILE 34 -3.587 -8.152 -4.082 115 HG22 ILE 34 HG22 ILE 34 -2.037 -7.417 -3.673 116 HG23 ILE 34 HG23 ILE 34 -3.482 -6.416 -3.797 117 HD11 ILE 34 HD11 ILE 34 -5.674 -9.154 -2.575 118 HD12 ILE 34 HD12 ILE 34 -5.615 -7.785 -3.685 119 HD13 ILE 34 HD13 ILE 34 -6.839 -7.842 -2.415 120 H HIS 35 HN HIS 35 -0.853 -9.510 -2.947 121 HA HIS 35 HA HIS 35 0.945 -9.178 -0.646 122 HB2 HIS 35 HB2 HIS 35 0.807 -11.106 -2.813 123 HB3 HIS 35 HB1 HIS 35 2.388 -10.346 -2.727 124 HD2 HIS 35 HD2 HIS 35 2.021 -10.281 0.748 125 HE1 HIS 35 HE1 HIS 35 2.634 -14.408 0.044 126 HE2 HIS 35 HE2 HIS 35 2.676 -12.569 1.787 127 H PHE 36 HN PHE 36 1.381 -7.022 -0.709 128 HA PHE 36 HA PHE 36 2.351 -5.876 -3.229 129 HB2 PHE 36 HB2 PHE 36 0.559 -4.758 -1.696 130 HB3 PHE 36 HB1 PHE 36 1.929 -4.320 -0.686 131 HD1 PHE 36 HD1 PHE 36 3.760 -4.004 -3.274 132 HD2 PHE 36 HD2 PHE 36 0.017 -2.415 -2.020 133 HE1 PHE 36 HE1 PHE 36 4.146 -2.009 -4.657 134 HE2 PHE 36 HE2 PHE 36 0.401 -0.417 -3.405 135 HZ PHE 36 HZ PHE 36 2.467 -0.216 -4.728 136 H LYS 37 HN LYS 37 4.459 -6.485 -3.431 137 HA LYS 37 HA LYS 37 6.184 -6.289 -1.089 138 HB2 LYS 37 HB2 LYS 37 7.931 -7.270 -2.626 139 HB3 LYS 37 HB1 LYS 37 6.555 -8.302 -2.284 140 HG2 LYS 37 HG2 LYS 37 5.581 -7.632 -4.470 141 HG3 LYS 37 HG1 LYS 37 7.066 -6.739 -4.804 142 HD2 LYS 37 HD2 LYS 37 6.852 -9.705 -4.288 143 HD3 LYS 37 HD1 LYS 37 7.111 -8.942 -5.856 144 HE2 LYS 37 HE2 LYS 37 9.240 -8.049 -5.088 145 HE3 LYS 37 HE1 LYS 37 8.973 -8.746 -3.492 146 HZ1 LYS 37 HZ1 LYS 37 9.423 -10.193 -6.033 147 HZ2 LYS 37 HZ2 LYS 37 8.898 -10.954 -4.621 148 HZ3 LYS 37 HZ3 LYS 37 10.408 -10.193 -4.659 149 H VAL 38 HN VAL 38 6.871 -4.350 -0.653 150 HA VAL 38 HA VAL 38 7.409 -2.446 -2.805 151 HB VAL 38 HB VAL 38 7.496 -0.743 -1.076 152 HG11 VAL 38 HG11 VAL 38 5.304 -1.258 -1.900 153 HG12 VAL 38 HG12 VAL 38 5.186 -0.987 -0.160 154 HG13 VAL 38 HG13 VAL 38 5.160 -2.630 -0.801 155 HG21 VAL 38 HG21 VAL 38 8.582 -2.014 0.694 156 HG22 VAL 38 HG22 VAL 38 7.141 -3.006 0.890 157 HG23 VAL 38 HG23 VAL 38 7.088 -1.291 1.287 158 H LYS 39 HN LYS 39 9.357 -0.921 -2.217 159 HA LYS 39 HA LYS 39 11.618 -2.565 -1.316 160 HB2 LYS 39 HB2 LYS 39 11.204 -2.114 -3.940 161 HB3 LYS 39 HB1 LYS 39 12.105 -0.660 -3.537 162 HG2 LYS 39 HG2 LYS 39 13.915 -2.049 -2.634 163 HG3 LYS 39 HG1 LYS 39 13.018 -3.495 -3.095 164 HD2 LYS 39 HD2 LYS 39 14.047 -3.382 -5.069 165 HD3 LYS 39 HD1 LYS 39 13.072 -1.949 -5.399 166 HE2 LYS 39 HE2 LYS 39 14.866 -0.609 -4.244 167 HE3 LYS 39 HE1 LYS 39 15.848 -2.071 -4.249 168 HZ1 LYS 39 HZ1 LYS 39 14.692 -0.856 -6.696 169 HZ2 LYS 39 HZ2 LYS 39 15.839 -2.101 -6.607 170 HZ3 LYS 39 HZ3 LYS 39 16.258 -0.533 -6.139 171 H MET 40 HN MET 40 13.257 -1.451 -0.264 172 HA MET 40 HA MET 40 12.486 1.034 0.935 173 HB2 MET 40 HB2 MET 40 13.770 -0.748 2.124 174 HB3 MET 40 HB1 MET 40 15.152 -0.389 1.100 175 HG2 MET 40 HG2 MET 40 15.280 0.637 3.332 176 HG3 MET 40 HG1 MET 40 15.341 1.808 2.019 177 HE1 MET 40 HE1 MET 40 11.993 0.027 3.312 178 HE2 MET 40 HE2 MET 40 11.651 1.070 4.689 179 HE3 MET 40 HE3 MET 40 13.107 0.082 4.675 180 H THR 41 HN THR 41 12.285 2.333 -0.904 181 HA THR 41 HA THR 41 14.268 4.143 -1.427 182 HB THR 41 HB THR 41 15.411 2.141 -2.544 183 HG1 THR 41 HG1 THR 41 15.523 3.677 -4.630 184 HG21 THR 41 HG21 THR 41 13.534 1.113 -3.654 185 HG22 THR 41 HG22 THR 41 14.670 1.675 -4.878 186 HG23 THR 41 HG23 THR 41 13.191 2.593 -4.557 187 H THR 42 HN THR 42 11.489 2.376 -2.403 188 HA THR 42 HA THR 42 10.633 4.204 -4.430 189 HB THR 42 HB THR 42 8.750 2.798 -4.704 190 HG1 THR 42 HG1 THR 42 8.777 2.624 -2.093 191 HG21 THR 42 HG21 THR 42 11.136 1.804 -5.071 192 HG22 THR 42 HG22 THR 42 9.725 0.747 -5.166 193 HG23 THR 42 HG23 THR 42 10.711 0.774 -3.703 194 H HIS 43 HN HIS 43 9.324 5.940 -4.226 195 HA HIS 43 HA HIS 43 8.739 6.916 -1.594 196 HB2 HIS 43 HB2 HIS 43 7.544 8.024 -4.127 197 HB3 HIS 43 HB1 HIS 43 7.865 8.864 -2.621 198 HD2 HIS 43 HD2 HIS 43 11.173 7.553 -2.876 199 HE1 HIS 43 HE1 HIS 43 11.128 10.517 -5.875 200 HE2 HIS 43 HE2 HIS 43 12.578 9.039 -4.427 201 H LEU 44 HN LEU 44 6.767 6.956 -0.541 202 HA LEU 44 HA LEU 44 4.928 4.913 -1.154 203 HB2 LEU 44 HB2 LEU 44 5.337 6.822 0.942 204 HB3 LEU 44 HB1 LEU 44 3.633 6.767 0.523 205 HG LEU 44 HG LEU 44 5.184 4.249 1.067 206 HD11 LEU 44 HD11 LEU 44 5.454 5.747 2.998 207 HD12 LEU 44 HD12 LEU 44 4.466 4.337 3.370 208 HD13 LEU 44 HD13 LEU 44 3.700 5.901 3.103 209 HD21 LEU 44 HD21 LEU 44 2.934 3.420 1.654 210 HD22 LEU 44 HD22 LEU 44 3.047 3.973 -0.018 211 HD23 LEU 44 HD23 LEU 44 2.265 4.985 1.196 212 H LYS 45 HN LYS 45 5.203 8.084 -2.347 213 HA LYS 45 HA LYS 45 2.523 8.691 -2.946 214 HB2 LYS 45 HB2 LYS 45 4.310 10.364 -3.062 215 HB3 LYS 45 HB1 LYS 45 5.070 9.488 -4.382 216 HG2 LYS 45 HG2 LYS 45 3.937 11.313 -5.353 217 HG3 LYS 45 HG1 LYS 45 2.963 9.886 -5.709 218 HD2 LYS 45 HD2 LYS 45 1.567 10.460 -3.706 219 HD3 LYS 45 HD1 LYS 45 2.455 11.983 -3.607 220 HE2 LYS 45 HE2 LYS 45 1.661 12.654 -5.769 221 HE3 LYS 45 HE1 LYS 45 0.941 11.067 -6.048 222 HZ1 LYS 45 HZ1 LYS 45 0.036 13.218 -4.249 223 HZ2 LYS 45 HZ2 LYS 45 -0.405 11.612 -3.939 224 HZ3 LYS 45 HZ3 LYS 45 -0.843 12.347 -5.403 225 H LYS 46 HN LYS 46 5.002 6.866 -4.669 226 HA LYS 46 HA LYS 46 3.342 6.431 -6.976 227 HB2 LYS 46 HB2 LYS 46 5.789 6.526 -7.180 228 HB3 LYS 46 HB1 LYS 46 5.932 5.102 -6.161 229 HG2 LYS 46 HG2 LYS 46 5.317 3.680 -7.816 230 HG3 LYS 46 HG1 LYS 46 4.245 4.854 -8.579 231 HD2 LYS 46 HD2 LYS 46 7.071 5.605 -8.666 232 HD3 LYS 46 HD1 LYS 46 6.709 4.104 -9.520 233 HE2 LYS 46 HE2 LYS 46 6.468 5.828 -11.107 234 HE3 LYS 46 HE1 LYS 46 4.834 5.344 -10.656 235 HZ1 LYS 46 HZ1 LYS 46 4.472 7.281 -9.506 236 HZ2 LYS 46 HZ2 LYS 46 5.450 7.837 -10.774 237 HZ3 LYS 46 HZ3 LYS 46 6.121 7.577 -9.246 238 H LEU 47 HN LEU 47 4.068 4.774 -4.003 239 HA LEU 47 HA LEU 47 3.191 2.192 -4.626 240 HB2 LEU 47 HB2 LEU 47 3.493 3.778 -2.137 241 HB3 LEU 47 HB1 LEU 47 2.467 2.363 -2.045 242 HG LEU 47 HG LEU 47 4.347 0.963 -2.819 243 HD11 LEU 47 HD11 LEU 47 6.569 1.850 -2.987 244 HD12 LEU 47 HD12 LEU 47 6.004 3.460 -2.538 245 HD13 LEU 47 HD13 LEU 47 5.515 2.751 -4.077 246 HD21 LEU 47 HD21 LEU 47 4.993 2.674 -0.425 247 HD22 LEU 47 HD22 LEU 47 5.639 1.071 -0.762 248 HD23 LEU 47 HD23 LEU 47 3.922 1.276 -0.428 249 H LYS 48 HN LYS 48 1.410 4.878 -3.163 250 HA LYS 48 HA LYS 48 -1.072 3.599 -3.012 251 HB2 LYS 48 HB2 LYS 48 -0.494 6.554 -3.260 252 HB3 LYS 48 HB1 LYS 48 -2.000 5.843 -2.692 253 HG2 LYS 48 HG2 LYS 48 -0.863 4.891 -0.778 254 HG3 LYS 48 HG1 LYS 48 0.682 5.511 -1.362 255 HD2 LYS 48 HD2 LYS 48 -0.048 7.023 0.304 256 HD3 LYS 48 HD1 LYS 48 -0.352 7.818 -1.241 257 HE2 LYS 48 HE2 LYS 48 -2.686 7.223 -1.135 258 HE3 LYS 48 HE1 LYS 48 -2.413 6.282 0.331 259 HZ1 LYS 48 HZ1 LYS 48 -3.370 8.546 0.671 260 HZ2 LYS 48 HZ2 LYS 48 -1.891 9.198 0.154 261 HZ3 LYS 48 HZ3 LYS 48 -1.958 8.235 1.550 262 H GLU 49 HN GLU 49 0.338 5.597 -5.591 263 HA GLU 49 HA GLU 49 -2.052 5.674 -7.130 264 HB2 GLU 49 HB2 GLU 49 -0.844 6.807 -8.766 265 HB3 GLU 49 HB1 GLU 49 -0.013 7.239 -7.284 266 HG2 GLU 49 HG2 GLU 49 1.722 5.605 -7.766 267 HG3 GLU 49 HG1 GLU 49 0.878 5.133 -9.240 268 H SER 50 HN SER 50 0.727 3.496 -7.103 269 HA SER 50 HA SER 50 0.066 2.094 -9.465 270 HB2 SER 50 HB2 SER 50 1.623 1.139 -7.052 271 HB3 SER 50 HB1 SER 50 1.624 0.381 -8.646 272 HG SER 50 HG SER 50 2.626 2.926 -7.900 273 H TYR 51 HN TYR 51 -0.903 1.704 -6.104 274 HA TYR 51 HA TYR 51 -2.140 -0.810 -6.333 275 HB2 TYR 51 HB2 TYR 51 -1.699 0.184 -4.153 276 HB3 TYR 51 HB1 TYR 51 -2.793 1.517 -4.506 277 HD1 TYR 51 HD1 TYR 51 -2.760 -2.199 -4.205 278 HD2 TYR 51 HD2 TYR 51 -5.007 1.392 -3.794 279 HE1 TYR 51 HE1 TYR 51 -4.617 -3.479 -3.222 280 HE2 TYR 51 HE2 TYR 51 -6.866 0.121 -2.810 281 HH TYR 51 HH TYR 51 -6.542 -3.129 -1.799 282 H CYS 52 HN CYS 52 -3.324 2.475 -6.838 283 HA CYS 52 HA CYS 52 -6.021 1.860 -7.314 284 HB2 CYS 52 HB2 CYS 52 -4.460 4.129 -8.560 285 HB3 CYS 52 HB1 CYS 52 -6.192 4.067 -8.256 286 HG CYS 52 HG CYS 52 -3.685 4.417 -5.953 287 H GLN 53 HN GLN 53 -3.217 1.948 -9.439 288 HA GLN 53 HA GLN 53 -4.578 1.686 -11.891 289 HB2 GLN 53 HB2 GLN 53 -1.806 0.688 -11.215 290 HB3 GLN 53 HB1 GLN 53 -2.436 1.017 -12.823 291 HG2 GLN 53 HG2 GLN 53 -2.592 3.375 -12.310 292 HG3 GLN 53 HG1 GLN 53 -2.046 3.073 -10.662 293 HE21 GLN 53 HE21 GLN 53 -0.841 4.803 -12.591 294 HE22 GLN 53 HE22 GLN 53 0.754 4.207 -12.888 295 H ARG 54 HN ARG 54 -3.189 -0.745 -9.707 296 HA ARG 54 HA ARG 54 -3.845 -2.953 -11.361 297 HB2 ARG 54 HB2 ARG 54 -2.097 -3.093 -9.651 298 HB3 ARG 54 HB1 ARG 54 -3.301 -2.880 -8.386 299 HG2 ARG 54 HG2 ARG 54 -4.201 -4.996 -8.712 300 HG3 ARG 54 HG1 ARG 54 -3.518 -5.143 -10.331 301 HD2 ARG 54 HD2 ARG 54 -1.279 -5.325 -9.370 302 HD3 ARG 54 HD1 ARG 54 -1.953 -5.160 -7.747 303 HE ARG 54 HE ARG 54 -3.221 -7.268 -8.305 304 HH11 ARG 54 HH11 ARG 54 -0.119 -6.542 -9.781 305 HH12 ARG 54 HH12 ARG 54 0.282 -8.210 -10.045 306 HH21 ARG 54 HH21 ARG 54 -2.711 -9.454 -8.713 307 HH22 ARG 54 HH22 ARG 54 -1.193 -9.858 -9.447 308 H GLN 55 HN GLN 55 -5.609 -1.216 -8.882 309 HA GLN 55 HA GLN 55 -7.688 -3.218 -8.733 310 HB2 GLN 55 HB2 GLN 55 -7.565 -0.419 -7.601 311 HB3 GLN 55 HB1 GLN 55 -8.839 -1.584 -7.269 312 HG2 GLN 55 HG2 GLN 55 -5.942 -1.759 -6.491 313 HG3 GLN 55 HG1 GLN 55 -7.338 -1.586 -5.430 314 HE21 GLN 55 HE21 GLN 55 -8.676 -3.373 -5.076 315 HE22 GLN 55 HE22 GLN 55 -8.142 -4.987 -5.397 316 H GLY 56 HN GLY 56 -7.001 -0.473 -10.662 317 HA2 GLY 56 HA2 GLY 56 -8.087 0.184 -12.606 318 HA3 GLY 56 HA1 GLY 56 -9.392 -0.929 -12.217 319 H VAL 57 HN VAL 57 -8.074 1.669 -10.221 320 HA VAL 57 HA VAL 57 -10.548 3.209 -10.564 321 HB VAL 57 HB VAL 57 -10.490 3.648 -8.046 322 HG11 VAL 57 HG11 VAL 57 -11.794 1.658 -7.501 323 HG12 VAL 57 HG12 VAL 57 -11.198 0.864 -8.959 324 HG13 VAL 57 HG13 VAL 57 -12.224 2.291 -9.090 325 HG21 VAL 57 HG21 VAL 57 -8.285 2.764 -7.568 326 HG22 VAL 57 HG22 VAL 57 -8.788 1.163 -8.097 327 HG23 VAL 57 HG23 VAL 57 -9.501 1.877 -6.655 328 HA PRO 58 HA PRO 58 -7.737 6.635 -10.501 329 HB2 PRO 58 HB2 PRO 58 -9.231 8.631 -9.463 330 HB3 PRO 58 HB1 PRO 58 -9.552 7.957 -11.068 331 HG2 PRO 58 HG2 PRO 58 -10.942 7.402 -8.486 332 HG3 PRO 58 HG1 PRO 58 -11.628 7.631 -10.106 333 HD2 PRO 58 HD2 PRO 58 -11.256 5.185 -8.978 334 HD3 PRO 58 HD1 PRO 58 -11.226 5.466 -10.728 335 H MET 59 HN MET 59 -6.823 8.387 -8.975 336 HA MET 59 HA MET 59 -6.079 7.085 -6.520 337 HB2 MET 59 HB2 MET 59 -4.678 8.679 -8.098 338 HB3 MET 59 HB1 MET 59 -5.367 9.935 -7.076 339 HG2 MET 59 HG2 MET 59 -4.418 8.905 -5.107 340 HG3 MET 59 HG1 MET 59 -3.805 7.565 -6.076 341 HE1 MET 59 HE1 MET 59 -1.874 9.030 -4.146 342 HE2 MET 59 HE2 MET 59 -0.474 9.312 -5.179 343 HE3 MET 59 HE3 MET 59 -1.347 7.785 -5.278 344 H ASN 60 HN ASN 60 -6.255 8.075 -4.402 345 HA ASN 60 HA ASN 60 -7.371 9.015 -2.674 346 HB2 ASN 60 HB2 ASN 60 -7.133 11.094 -4.280 347 HB3 ASN 60 HB1 ASN 60 -8.871 10.888 -4.465 348 HD21 ASN 60 HD21 ASN 60 -10.206 11.107 -2.610 349 HD22 ASN 60 HD22 ASN 60 -9.672 12.019 -1.241 350 H SER 61 HN SER 61 -8.437 6.797 -4.196 351 HA SER 61 HA SER 61 -11.327 7.144 -3.794 352 HB2 SER 61 HB2 SER 61 -11.450 4.947 -5.085 353 HB3 SER 61 HB1 SER 61 -10.870 6.339 -6.000 354 HG SER 61 HG SER 61 -9.084 5.306 -6.320 355 H LEU 62 HN LEU 62 -8.510 5.552 -2.638 356 HA LEU 62 HA LEU 62 -10.113 4.213 -0.582 357 HB2 LEU 62 HB2 LEU 62 -7.836 3.000 -2.156 358 HB3 LEU 62 HB1 LEU 62 -8.466 2.313 -0.672 359 HG LEU 62 HG LEU 62 -10.702 2.655 -2.329 360 HD11 LEU 62 HD11 LEU 62 -10.136 1.502 -4.364 361 HD12 LEU 62 HD12 LEU 62 -8.456 1.348 -3.853 362 HD13 LEU 62 HD13 LEU 62 -9.123 2.939 -4.209 363 HD21 LEU 62 HD21 LEU 62 -9.092 0.174 -1.740 364 HD22 LEU 62 HD22 LEU 62 -10.772 0.222 -2.279 365 HD23 LEU 62 HD23 LEU 62 -10.334 0.868 -0.696 366 H ARG 63 HN ARG 63 -8.848 3.731 1.366 367 HA ARG 63 HA ARG 63 -6.512 5.505 1.650 368 HB2 ARG 63 HB2 ARG 63 -7.258 6.039 3.935 369 HB3 ARG 63 HB1 ARG 63 -8.426 6.558 2.727 370 HG2 ARG 63 HG2 ARG 63 -9.800 4.601 3.208 371 HG3 ARG 63 HG1 ARG 63 -8.623 4.065 4.406 372 HD2 ARG 63 HD2 ARG 63 -9.030 6.069 5.725 373 HD3 ARG 63 HD1 ARG 63 -10.167 6.655 4.513 374 HE ARG 63 HE ARG 63 -10.629 4.630 6.514 375 HH11 ARG 63 HH11 ARG 63 -11.698 6.045 3.484 376 HH12 ARG 63 HH12 ARG 63 -13.313 5.404 3.617 377 HH21 ARG 63 HH21 ARG 63 -13.902 4.122 5.422 378 HH22 ARG 63 HH22 ARG 63 -12.741 3.762 6.662 379 H PHE 64 HN PHE 64 -4.773 4.643 2.571 380 HA PHE 64 HA PHE 64 -4.871 1.844 3.332 381 HB2 PHE 64 HB2 PHE 64 -2.666 3.787 2.714 382 HB3 PHE 64 HB1 PHE 64 -2.309 2.287 3.561 383 HD1 PHE 64 HD1 PHE 64 -3.404 3.770 0.405 384 HD2 PHE 64 HD2 PHE 64 -2.470 0.156 2.452 385 HE1 PHE 64 HE1 PHE 64 -3.321 2.579 -1.746 386 HE2 PHE 64 HE2 PHE 64 -2.382 -1.042 0.304 387 HZ PHE 64 HZ PHE 64 -2.803 0.171 -1.797 388 H LEU 65 HN LEU 65 -5.096 1.240 5.373 389 HA LEU 65 HA LEU 65 -4.520 3.209 7.477 390 HB2 LEU 65 HB2 LEU 65 -6.272 0.753 7.545 391 HB3 LEU 65 HB1 LEU 65 -6.011 1.844 8.891 392 HG LEU 65 HG LEU 65 -7.328 2.586 6.278 393 HD11 LEU 65 HD11 LEU 65 -8.511 2.151 9.012 394 HD12 LEU 65 HD12 LEU 65 -8.697 1.080 7.622 395 HD13 LEU 65 HD13 LEU 65 -9.376 2.709 7.581 396 HD21 LEU 65 HD21 LEU 65 -7.906 4.670 7.439 397 HD22 LEU 65 HD22 LEU 65 -6.164 4.473 7.257 398 HD23 LEU 65 HD23 LEU 65 -6.928 4.162 8.816 399 H PHE 66 HN PHE 66 -2.745 2.940 8.583 400 HA PHE 66 HA PHE 66 -1.767 0.210 9.083 401 HB2 PHE 66 HB2 PHE 66 -0.378 1.320 7.358 402 HB3 PHE 66 HB1 PHE 66 -0.075 2.645 8.476 403 HD1 PHE 66 HD1 PHE 66 0.310 -1.042 8.178 404 HD2 PHE 66 HD2 PHE 66 1.790 2.587 9.824 405 HE1 PHE 66 HE1 PHE 66 2.263 -2.245 9.066 406 HE2 PHE 66 HE2 PHE 66 3.747 1.393 10.713 407 HZ PHE 66 HZ PHE 66 3.984 -1.026 10.333 408 H GLU 67 HN GLU 67 -1.892 -0.173 11.175 409 HA GLU 67 HA GLU 67 -1.849 0.049 13.425 410 HB2 GLU 67 HB2 GLU 67 0.137 2.137 12.603 411 HB3 GLU 67 HB1 GLU 67 -0.303 1.948 14.296 412 HG2 GLU 67 HG2 GLU 67 0.790 -0.241 12.543 413 HG3 GLU 67 HG1 GLU 67 1.734 0.714 13.686 414 H GLY 68 HN GLY 68 -3.840 1.537 11.804 415 HA2 GLY 68 HA2 GLY 68 -5.773 2.607 12.594 416 HA3 GLY 68 HA1 GLY 68 -4.876 3.141 14.004 417 H GLN 69 HN GLN 69 -2.900 3.869 11.522 418 HA GLN 69 HA GLN 69 -4.081 6.554 11.243 419 HB2 GLN 69 HB2 GLN 69 -1.166 5.749 11.126 420 HB3 GLN 69 HB1 GLN 69 -1.784 7.385 10.930 421 HG2 GLN 69 HG2 GLN 69 -2.718 7.227 13.234 422 HG3 GLN 69 HG1 GLN 69 -1.891 5.682 13.405 423 HE21 GLN 69 HE21 GLN 69 -1.571 8.160 14.894 424 HE22 GLN 69 HE22 GLN 69 0.096 8.597 14.745 425 H ARG 70 HN ARG 70 -4.264 7.446 9.219 426 HA ARG 70 HA ARG 70 -4.080 5.577 7.029 427 HB2 ARG 70 HB2 ARG 70 -5.153 7.332 5.682 428 HB3 ARG 70 HB1 ARG 70 -6.050 6.989 7.153 429 HG2 ARG 70 HG2 ARG 70 -5.069 9.001 8.187 430 HG3 ARG 70 HG1 ARG 70 -4.251 9.354 6.664 431 HD2 ARG 70 HD2 ARG 70 -7.236 9.051 6.939 432 HD3 ARG 70 HD1 ARG 70 -6.399 10.598 7.024 433 HE ARG 70 HE ARG 70 -5.567 9.998 4.703 434 HH11 ARG 70 HH11 ARG 70 -9.385 8.772 4.364 435 HH12 ARG 70 HH12 ARG 70 -8.661 8.888 5.939 436 HH21 ARG 70 HH21 ARG 70 -8.178 9.309 2.494 437 HH22 ARG 70 HH22 ARG 70 -6.522 9.840 2.642 438 H ILE 71 HN ILE 71 -2.515 5.420 5.635 439 HA ILE 71 HA ILE 71 -0.096 6.842 5.938 440 HB ILE 71 HB ILE 71 -1.026 5.085 3.665 441 HG12 ILE 71 HG12 ILE 71 -0.974 3.960 5.863 442 HG13 ILE 71 HG11 ILE 71 0.244 3.316 4.765 443 HG21 ILE 71 HG21 ILE 71 0.801 6.490 2.935 444 HG22 ILE 71 HG22 ILE 71 1.363 4.830 3.136 445 HG23 ILE 71 HG23 ILE 71 1.745 6.044 4.356 446 HD11 ILE 71 HD11 ILE 71 0.695 5.220 7.052 447 HD12 ILE 71 HD12 ILE 71 1.936 4.723 5.901 448 HD13 ILE 71 HD13 ILE 71 1.183 3.528 6.955 449 H ALA 72 HN ALA 72 0.570 8.693 5.101 450 HA ALA 72 HA ALA 72 -1.163 10.181 3.334 451 HB1 ALA 72 HB1 ALA 72 1.529 10.927 4.476 452 HB2 ALA 72 HB2 ALA 72 -0.036 11.293 5.207 453 HB3 ALA 72 HB3 ALA 72 0.404 12.015 3.658 454 H ASP 73 HN ASP 73 0.633 11.621 1.788 455 HA ASP 73 HA ASP 73 1.500 9.533 -0.083 456 HB2 ASP 73 HB2 ASP 73 0.698 12.413 -0.455 457 HB3 ASP 73 HB1 ASP 73 1.573 11.539 -1.705 458 H ASN 74 HN ASN 74 2.700 11.824 2.089 459 HA ASN 74 HA ASN 74 5.293 11.998 0.729 460 HB2 ASN 74 HB2 ASN 74 5.813 13.823 2.195 461 HB3 ASN 74 HB1 ASN 74 4.189 14.090 1.577 462 HD21 ASN 74 HD21 ASN 74 6.089 14.018 4.305 463 HD22 ASN 74 HD22 ASN 74 4.843 13.939 5.499 464 H HIS 75 HN HIS 75 3.797 10.036 2.897 465 HA HIS 75 HA HIS 75 5.748 9.736 4.927 466 HB2 HIS 75 HB2 HIS 75 3.468 8.039 3.956 467 HB3 HIS 75 HB1 HIS 75 4.580 7.433 5.177 468 HD2 HIS 75 HD2 HIS 75 4.495 10.810 6.355 469 HE1 HIS 75 HE1 HIS 75 0.825 9.226 7.752 470 HE2 HIS 75 HE2 HIS 75 2.508 11.101 8.002 471 H THR 76 HN THR 76 7.122 7.893 5.290 472 HA THR 76 HA THR 76 8.123 6.688 2.793 473 HB THR 76 HB THR 76 10.339 6.523 3.981 474 HG1 THR 76 HG1 THR 76 9.000 8.248 5.833 475 HG21 THR 76 HG21 THR 76 9.876 8.277 2.320 476 HG22 THR 76 HG22 THR 76 10.967 8.841 3.585 477 HG23 THR 76 HG23 THR 76 9.271 9.322 3.606 478 HA PRO 77 HA PRO 77 7.266 2.743 4.636 479 HB2 PRO 77 HB2 PRO 77 9.655 1.606 3.376 480 HB3 PRO 77 HB1 PRO 77 7.951 1.282 3.039 481 HG2 PRO 77 HG2 PRO 77 9.498 2.614 1.296 482 HG3 PRO 77 HG1 PRO 77 7.772 2.977 1.499 483 HD2 PRO 77 HD2 PRO 77 10.145 4.439 2.593 484 HD3 PRO 77 HD1 PRO 77 8.652 5.082 1.877 485 H LYS 78 HN LYS 78 10.160 4.393 5.286 486 HA LYS 78 HA LYS 78 11.187 2.372 7.098 487 HB2 LYS 78 HB2 LYS 78 12.810 3.570 5.777 488 HB3 LYS 78 HB1 LYS 78 12.202 5.115 6.346 489 HG2 LYS 78 HG2 LYS 78 14.315 4.502 7.412 490 HG3 LYS 78 HG1 LYS 78 13.004 4.649 8.581 491 HD2 LYS 78 HD2 LYS 78 14.308 2.704 9.128 492 HD3 LYS 78 HD1 LYS 78 12.744 2.172 8.512 493 HE2 LYS 78 HE2 LYS 78 13.734 1.709 6.343 494 HE3 LYS 78 HE1 LYS 78 15.291 2.312 6.907 495 HZ1 LYS 78 HZ1 LYS 78 13.857 -0.065 7.957 496 HZ2 LYS 78 HZ2 LYS 78 15.324 0.525 8.553 497 HZ3 LYS 78 HZ3 LYS 78 15.234 -0.085 6.982 498 H GLU 79 HN GLU 79 9.407 5.378 7.227 499 HA GLU 79 HA GLU 79 9.760 5.667 10.080 500 HB2 GLU 79 HB2 GLU 79 8.422 7.643 9.891 501 HB3 GLU 79 HB1 GLU 79 9.537 7.617 8.532 502 HG2 GLU 79 HG2 GLU 79 7.726 6.730 7.110 503 HG3 GLU 79 HG1 GLU 79 6.621 6.884 8.476 504 H LEU 80 HN LEU 80 7.650 6.119 11.338 505 HA LEU 80 HA LEU 80 5.708 5.425 12.266 506 HB2 LEU 80 HB2 LEU 80 5.216 5.079 9.538 507 HB3 LEU 80 HB1 LEU 80 4.730 3.567 10.281 508 HG LEU 80 HG LEU 80 3.748 6.247 11.254 509 HD11 LEU 80 HD11 LEU 80 2.990 6.127 9.013 510 HD12 LEU 80 HD12 LEU 80 1.639 5.617 10.026 511 HD13 LEU 80 HD13 LEU 80 2.598 4.415 9.164 512 HD21 LEU 80 HD21 LEU 80 1.994 4.925 12.295 513 HD22 LEU 80 HD22 LEU 80 3.585 4.377 12.833 514 HD23 LEU 80 HD23 LEU 80 2.690 3.447 11.629 515 H GLY 81 HN GLY 81 7.179 2.754 10.424 516 HA2 GLY 81 HA2 GLY 81 8.387 1.162 11.991 517 HA3 GLY 81 HA1 GLY 81 6.848 1.084 12.834 518 H MET 82 HN MET 82 7.748 0.948 9.382 519 HA MET 82 HA MET 82 5.886 -1.229 8.983 520 HB2 MET 82 HB2 MET 82 7.736 0.254 7.116 521 HB3 MET 82 HB1 MET 82 6.756 -1.109 6.597 522 HG2 MET 82 HG2 MET 82 4.743 0.158 7.364 523 HG3 MET 82 HG1 MET 82 5.798 1.544 7.634 524 HE1 MET 82 HE1 MET 82 3.193 1.589 5.718 525 HE2 MET 82 HE2 MET 82 3.846 2.579 4.413 526 HE3 MET 82 HE3 MET 82 4.223 2.971 6.091 527 H GLU 83 HN GLU 83 6.432 -3.353 8.441 528 HA GLU 83 HA GLU 83 9.264 -4.074 8.518 529 HB2 GLU 83 HB2 GLU 83 7.320 -4.602 10.629 530 HB3 GLU 83 HB1 GLU 83 8.101 -6.065 10.045 531 HG2 GLU 83 HG2 GLU 83 9.424 -3.618 11.184 532 HG3 GLU 83 HG1 GLU 83 9.342 -5.229 11.897 533 H GLU 84 HN GLU 84 9.518 -6.489 8.159 534 HA GLU 84 HA GLU 84 8.172 -7.218 5.735 535 HB2 GLU 84 HB2 GLU 84 10.462 -7.830 5.888 536 HB3 GLU 84 HB1 GLU 84 10.253 -8.525 7.487 537 HG2 GLU 84 HG2 GLU 84 10.450 -10.405 6.197 538 HG3 GLU 84 HG1 GLU 84 8.702 -10.208 6.259 539 H GLU 85 HN GLU 85 6.732 -8.929 5.403 540 HA GLU 85 HA GLU 85 5.001 -10.328 5.846 541 HB2 GLU 85 HB2 GLU 85 6.647 -10.867 8.319 542 HB3 GLU 85 HB1 GLU 85 5.183 -11.757 7.922 543 HG2 GLU 85 HG2 GLU 85 7.330 -11.585 5.878 544 HG3 GLU 85 HG1 GLU 85 7.569 -12.647 7.264 545 H ASP 86 HN ASP 86 4.713 -7.625 6.454 546 HA ASP 86 HA ASP 86 3.131 -7.591 8.921 547 HB2 ASP 86 HB2 ASP 86 4.975 -5.848 8.306 548 HB3 ASP 86 HB1 ASP 86 3.730 -5.167 7.266 549 H VAL 87 HN VAL 87 1.110 -6.225 8.793 550 HA VAL 87 HA VAL 87 -0.271 -6.771 6.247 551 HB VAL 87 HB VAL 87 -2.362 -7.060 7.577 552 HG11 VAL 87 HG11 VAL 87 -1.135 -8.995 6.763 553 HG12 VAL 87 HG12 VAL 87 -1.853 -9.332 8.339 554 HG13 VAL 87 HG13 VAL 87 -0.128 -8.985 8.213 555 HG21 VAL 87 HG21 VAL 87 -0.445 -6.981 9.902 556 HG22 VAL 87 HG22 VAL 87 -2.085 -7.615 9.999 557 HG23 VAL 87 HG23 VAL 87 -1.821 -5.917 9.607 558 H ILE 88 HN ILE 88 -1.751 -5.286 5.512 559 HA ILE 88 HA ILE 88 -2.117 -2.815 7.037 560 HB ILE 88 HB ILE 88 -0.206 -2.441 5.486 561 HG12 ILE 88 HG12 ILE 88 -2.593 -0.853 4.556 562 HG13 ILE 88 HG11 ILE 88 -1.912 -0.659 6.167 563 HG21 ILE 88 HG21 ILE 88 -2.227 -2.873 3.291 564 HG22 ILE 88 HG22 ILE 88 -0.912 -3.974 3.702 565 HG23 ILE 88 HG23 ILE 88 -0.549 -2.360 3.087 566 HD11 ILE 88 HD11 ILE 88 -1.071 1.041 4.678 567 HD12 ILE 88 HD12 ILE 88 -0.484 -0.190 3.562 568 HD13 ILE 88 HD13 ILE 88 0.236 -0.039 5.163 569 H GLU 89 HN GLU 89 -4.101 -1.832 6.680 570 HA GLU 89 HA GLU 89 -5.982 -3.445 5.102 571 HB2 GLU 89 HB2 GLU 89 -6.518 -1.502 7.353 572 HB3 GLU 89 HB1 GLU 89 -7.735 -2.460 6.517 573 HG2 GLU 89 HG2 GLU 89 -6.902 -4.476 7.408 574 HG3 GLU 89 HG1 GLU 89 -5.422 -3.703 7.972 575 H VAL 90 HN VAL 90 -7.579 -2.390 3.824 576 HA VAL 90 HA VAL 90 -7.142 0.439 3.265 577 HB VAL 90 HB VAL 90 -5.690 -0.740 1.680 578 HG11 VAL 90 HG11 VAL 90 -8.203 -2.061 0.674 579 HG12 VAL 90 HG12 VAL 90 -6.900 -2.855 1.554 580 HG13 VAL 90 HG13 VAL 90 -6.601 -2.189 -0.050 581 HG21 VAL 90 HG21 VAL 90 -6.532 0.272 -0.381 582 HG22 VAL 90 HG22 VAL 90 -6.713 1.356 0.999 583 HG23 VAL 90 HG23 VAL 90 -8.114 0.485 0.373 584 H TYR 91 HN TYR 91 -9.004 1.487 3.026 585 HA TYR 91 HA TYR 91 -11.418 -0.055 2.340 586 HB2 TYR 91 HB2 TYR 91 -11.060 2.018 4.504 587 HB3 TYR 91 HB1 TYR 91 -12.645 1.579 3.879 588 HD1 TYR 91 HD1 TYR 91 -12.616 -1.266 3.627 589 HD2 TYR 91 HD2 TYR 91 -10.789 1.145 6.622 590 HE1 TYR 91 HE1 TYR 91 -12.711 -3.150 5.200 591 HE2 TYR 91 HE2 TYR 91 -10.879 -0.736 8.201 592 HH TYR 91 HH TYR 91 -11.358 -3.855 7.313 593 H GLN 92 HN GLN 92 -13.151 1.246 1.402 594 HA GLN 92 HA GLN 92 -12.089 3.078 -0.537 595 HB2 GLN 92 HB2 GLN 92 -13.967 1.372 -0.902 596 HB3 GLN 92 HB1 GLN 92 -15.012 2.517 -0.074 597 HG2 GLN 92 HG2 GLN 92 -14.074 4.206 -1.826 598 HG3 GLN 92 HG1 GLN 92 -13.679 2.747 -2.731 599 HE21 GLN 92 HE21 GLN 92 -16.192 4.799 -1.547 600 HE22 GLN 92 HE22 GLN 92 -17.497 4.055 -2.411 601 H GLU 93 HN GLU 93 -12.474 5.237 -0.740 602 HA GLU 93 HA GLU 93 -12.997 6.662 1.709 603 HB2 GLU 93 HB2 GLU 93 -12.302 7.583 -1.083 604 HB3 GLU 93 HB1 GLU 93 -12.506 8.672 0.283 605 HG2 GLU 93 HG2 GLU 93 -10.557 6.403 0.372 606 HG3 GLU 93 HG1 GLU 93 -10.139 7.956 -0.353 607 H GLN 94 HN GLN 94 -14.543 8.335 1.947 608 HA GLN 94 HA GLN 94 -17.103 7.679 0.816 609 HB2 GLN 94 HB2 GLN 94 -16.564 8.501 3.215 610 HB3 GLN 94 HB1 GLN 94 -16.525 10.105 2.497 611 HG2 GLN 94 HG2 GLN 94 -18.818 9.849 1.748 612 HG3 GLN 94 HG1 GLN 94 -18.863 8.213 2.401 613 HE21 GLN 94 HE21 GLN 94 -20.520 8.613 3.809 614 HE22 GLN 94 HE22 GLN 94 -20.349 9.612 5.211 615 H THR 95 HN THR 95 -14.528 9.686 -0.024 616 HA THR 95 HA THR 95 -16.078 11.690 -1.409 617 HB THR 95 HB THR 95 -13.237 11.467 -2.100 618 HG1 THR 95 HG1 THR 95 -13.991 11.956 0.613 619 HG21 THR 95 HG21 THR 95 -14.635 13.456 -2.541 620 HG22 THR 95 HG22 THR 95 -13.251 13.831 -1.513 621 HG23 THR 95 HG23 THR 95 -14.855 13.663 -0.803 622 H GLY 96 HN GLY 96 -15.341 8.532 -2.042 623 HA2 GLY 96 HA2 GLY 96 -15.784 7.299 -3.954 624 HA3 GLY 96 HA1 GLY 96 -16.035 8.802 -4.827 625 H GLY 97 HN GLY 97 -13.956 10.106 -5.147 626 HA2 GLY 97 HA2 GLY 97 -11.506 8.598 -5.327 627 HA3 GLY 97 HA1 GLY 97 -12.273 8.862 -6.884 628 H1 ASP 195 HN ASP 195 -7.392 -20.027 -4.332 629 HA ASP 195 HA ASP 195 -9.286 -18.494 -3.029 630 HB2 ASP 195 HB2 ASP 195 -7.743 -19.310 -1.057 631 HB3 ASP 195 HB1 ASP 195 -6.683 -18.024 -1.624 632 H THR 196 HN THR 196 -7.754 -16.071 -2.589 633 HA THR 196 HA THR 196 -6.678 -15.760 -5.302 634 HB THR 196 HB THR 196 -8.183 -13.644 -3.782 635 HG1 THR 196 HG1 THR 196 -9.296 -15.644 -4.776 636 HG21 THR 196 HG21 THR 196 -8.139 -12.393 -5.856 637 HG22 THR 196 HG22 THR 196 -7.277 -13.700 -6.665 638 HG23 THR 196 HG23 THR 196 -6.488 -12.790 -5.379 639 H ALA 197 HN ALA 197 -4.667 -15.210 -5.433 640 HA ALA 197 HA ALA 197 -3.457 -13.554 -3.324 641 HB1 ALA 197 HB1 ALA 197 -1.344 -14.765 -3.646 642 HB2 ALA 197 HB2 ALA 197 -2.136 -15.838 -4.797 643 HB3 ALA 197 HB3 ALA 197 -2.622 -15.854 -3.105 644 H GLY 198 HN GLY 198 -2.646 -11.720 -4.101 645 HA2 GLY 198 HA2 GLY 198 -1.980 -11.594 -6.975 646 HA3 GLY 198 HA1 GLY 198 -2.737 -10.266 -6.107 647 H CYS 199 HN CYS 199 0.101 -11.024 -7.426 648 HA CYS 199 HA CYS 199 1.565 -9.699 -5.238 649 HB2 CYS 199 HB2 CYS 199 2.707 -11.533 -7.354 650 HB3 CYS 199 HB1 CYS 199 3.599 -10.787 -6.027 651 HG CYS 199 HG CYS 199 1.581 -12.188 -4.243 652 H ILE 200 HN ILE 200 2.248 -7.750 -5.631 653 HA ILE 200 HA ILE 200 2.660 -6.896 -8.412 654 HB ILE 200 HB ILE 200 0.712 -5.757 -7.905 655 HG12 ILE 200 HG12 ILE 200 2.802 -3.831 -6.869 656 HG13 ILE 200 HG11 ILE 200 2.519 -4.173 -8.572 657 HG21 ILE 200 HG21 ILE 200 0.241 -4.661 -5.722 658 HG22 ILE 200 HG22 ILE 200 1.718 -5.388 -5.096 659 HG23 ILE 200 HG23 ILE 200 0.395 -6.415 -5.637 660 HD11 ILE 200 HD11 ILE 200 0.652 -2.835 -6.631 661 HD12 ILE 200 HD12 ILE 200 0.169 -3.367 -8.243 662 HD13 ILE 200 HD13 ILE 200 1.420 -2.136 -8.058 663 H VAL 201 HN VAL 201 4.590 -5.906 -8.823 664 HA VAL 201 HA VAL 201 6.258 -5.283 -6.479 665 HB VAL 201 HB VAL 201 7.145 -7.213 -7.745 666 HG11 VAL 201 HG11 VAL 201 8.024 -6.951 -9.996 667 HG12 VAL 201 HG12 VAL 201 7.457 -5.284 -10.045 668 HG13 VAL 201 HG13 VAL 201 6.296 -6.607 -9.973 669 HG21 VAL 201 HG21 VAL 201 8.736 -5.859 -6.567 670 HG22 VAL 201 HG22 VAL 201 8.795 -4.693 -7.890 671 HG23 VAL 201 HG23 VAL 201 9.440 -6.319 -8.117 672 H ILE 202 HN ILE 202 7.057 -3.273 -6.354 673 HA ILE 202 HA ILE 202 6.634 -1.508 -8.656 674 HB ILE 202 HB ILE 202 4.945 -1.110 -6.948 675 HG12 ILE 202 HG12 ILE 202 6.974 1.118 -6.909 676 HG13 ILE 202 HG11 ILE 202 5.901 0.788 -8.267 677 HG21 ILE 202 HG21 ILE 202 6.124 -1.910 -4.983 678 HG22 ILE 202 HG22 ILE 202 5.568 -0.255 -4.728 679 HG23 ILE 202 HG23 ILE 202 7.263 -0.566 -5.098 680 HD11 ILE 202 HD11 ILE 202 5.396 2.376 -6.012 681 HD12 ILE 202 HD12 ILE 202 4.370 0.950 -5.866 682 HD13 ILE 202 HD13 ILE 202 4.286 1.953 -7.314 683 H SEP 203 HN SEP 203 8.359 -0.306 -9.294 684 HA SEP 203 HA SEP 203 10.620 -0.133 -7.412 685 HB2 SEP 203 HB1 SEP 203 10.651 -0.264 -10.441 686 HB3 SEP 203 HB2 SEP 203 11.024 -1.606 -9.364 687 H ASP 204 HN ASP 204 10.794 1.839 -6.707 688 HA ASP 204 HA ASP 204 10.574 4.043 -8.583 689 HB2 ASP 204 HB2 ASP 204 8.423 3.798 -7.401 690 HB3 ASP 204 HB1 ASP 204 9.249 4.099 -5.897 691 H SEP 205 HN SEP 205 12.181 5.493 -8.366 692 HA SEP 205 HA SEP 205 13.687 5.518 -5.847 693 HB2 SEP 205 HB1 SEP 205 15.478 6.085 -7.910 694 HB3 SEP 205 HB2 SEP 205 14.643 4.595 -8.350 695 H GLU 206 HN GLU 206 14.273 7.537 -5.113 696 HA GLU 206 HA GLU 206 13.123 9.858 -6.167 697 HB2 GLU 206 HB2 GLU 206 14.036 9.653 -3.854 698 HB3 GLU 206 HB1 GLU 206 15.661 9.686 -4.519 699 HG2 GLU 206 HG2 GLU 206 14.989 11.854 -3.609 700 HG3 GLU 206 HG1 GLU 206 15.320 11.935 -5.338 Start of MODEL 8 1 H1 TYR 21 HN TYR 21 14.006 -7.187 -0.027 2 HA TYR 21 HA TYR 21 12.585 -5.085 -0.903 3 HB2 TYR 21 HB2 TYR 21 11.811 -7.535 -2.430 4 HB3 TYR 21 HB1 TYR 21 10.541 -6.415 -1.952 5 HD1 TYR 21 HD1 TYR 21 9.911 -4.924 -3.581 6 HD2 TYR 21 HD2 TYR 21 13.971 -6.173 -3.432 7 HE1 TYR 21 HE1 TYR 21 10.407 -3.526 -5.544 8 HE2 TYR 21 HE2 TYR 21 14.473 -4.781 -5.391 9 HH TYR 21 HH TYR 21 12.389 -2.405 -6.574 10 H ILE 22 HN ILE 22 10.598 -4.771 0.211 11 HA ILE 22 HA ILE 22 10.245 -6.638 2.456 12 HB ILE 22 HB ILE 22 9.239 -3.796 2.184 13 HG12 ILE 22 HG12 ILE 22 11.708 -3.902 2.286 14 HG13 ILE 22 HG11 ILE 22 11.019 -3.157 3.724 15 HG21 ILE 22 HG21 ILE 22 9.299 -5.679 4.537 16 HG22 ILE 22 HG22 ILE 22 7.867 -5.113 3.677 17 HG23 ILE 22 HG23 ILE 22 8.838 -3.976 4.615 18 HD11 ILE 22 HD11 ILE 22 12.002 -5.992 3.506 19 HD12 ILE 22 HD12 ILE 22 11.328 -5.240 4.951 20 HD13 ILE 22 HD13 ILE 22 12.847 -4.653 4.278 21 H LYS 23 HN LYS 23 8.583 -7.984 2.326 22 HA LYS 23 HA LYS 23 6.420 -7.380 0.449 23 HB2 LYS 23 HB2 LYS 23 7.639 -9.575 0.364 24 HB3 LYS 23 HB1 LYS 23 6.962 -9.951 1.940 25 HG2 LYS 23 HG2 LYS 23 4.717 -9.863 1.016 26 HG3 LYS 23 HG1 LYS 23 5.372 -9.426 -0.562 27 HD2 LYS 23 HD2 LYS 23 5.141 -11.678 -0.862 28 HD3 LYS 23 HD1 LYS 23 6.772 -11.641 -0.193 29 HE2 LYS 23 HE2 LYS 23 4.249 -12.124 1.387 30 HE3 LYS 23 HE1 LYS 23 5.352 -13.380 0.831 31 HZ1 LYS 23 HZ1 LYS 23 5.725 -12.756 3.164 32 HZ2 LYS 23 HZ2 LYS 23 6.084 -11.177 2.684 33 HZ3 LYS 23 HZ3 LYS 23 7.087 -12.449 2.205 34 H LEU 24 HN LEU 24 4.561 -6.655 1.122 35 HA LEU 24 HA LEU 24 3.804 -7.031 3.948 36 HB2 LEU 24 HB2 LEU 24 2.846 -4.745 2.266 37 HB3 LEU 24 HB1 LEU 24 2.947 -4.858 4.014 38 HG LEU 24 HG LEU 24 5.560 -5.033 2.726 39 HD11 LEU 24 HD11 LEU 24 4.007 -2.471 2.416 40 HD12 LEU 24 HD12 LEU 24 4.476 -3.554 1.107 41 HD13 LEU 24 HD13 LEU 24 5.710 -2.717 2.043 42 HD21 LEU 24 HD21 LEU 24 6.134 -3.394 4.415 43 HD22 LEU 24 HD22 LEU 24 5.208 -4.715 5.124 44 HD23 LEU 24 HD23 LEU 24 4.432 -3.165 4.801 45 H LYS 25 HN LYS 25 1.511 -7.263 4.349 46 HA LYS 25 HA LYS 25 0.116 -8.368 2.005 47 HB2 LYS 25 HB2 LYS 25 -0.279 -9.011 4.929 48 HB3 LYS 25 HB1 LYS 25 -1.170 -9.730 3.594 49 HG2 LYS 25 HG2 LYS 25 0.920 -10.688 2.731 50 HG3 LYS 25 HG1 LYS 25 1.790 -9.989 4.097 51 HD2 LYS 25 HD2 LYS 25 1.371 -12.255 4.651 52 HD3 LYS 25 HD1 LYS 25 0.238 -11.290 5.597 53 HE2 LYS 25 HE2 LYS 25 -1.425 -11.698 3.704 54 HE3 LYS 25 HE1 LYS 25 -0.301 -12.931 3.139 55 HZ1 LYS 25 HZ1 LYS 25 -1.500 -12.873 5.849 56 HZ2 LYS 25 HZ2 LYS 25 -0.543 -14.099 5.193 57 HZ3 LYS 25 HZ3 LYS 25 -2.084 -13.804 4.562 58 H VAL 26 HN VAL 26 -1.422 -7.150 1.225 59 HA VAL 26 HA VAL 26 -2.771 -5.197 2.931 60 HB VAL 26 HB VAL 26 -3.296 -5.585 -0.009 61 HG11 VAL 26 HG11 VAL 26 -4.785 -4.135 1.341 62 HG12 VAL 26 HG12 VAL 26 -3.964 -3.286 0.034 63 HG13 VAL 26 HG13 VAL 26 -3.399 -3.105 1.693 64 HG21 VAL 26 HG21 VAL 26 -1.041 -4.014 1.232 65 HG22 VAL 26 HG22 VAL 26 -1.573 -3.838 -0.438 66 HG23 VAL 26 HG23 VAL 26 -0.908 -5.374 0.116 67 H ILE 27 HN ILE 27 -4.675 -5.681 3.830 68 HA ILE 27 HA ILE 27 -6.047 -8.102 2.971 69 HB ILE 27 HB ILE 27 -6.721 -6.298 5.298 70 HG12 ILE 27 HG12 ILE 27 -4.457 -7.188 5.564 71 HG13 ILE 27 HG11 ILE 27 -5.553 -7.962 6.703 72 HG21 ILE 27 HG21 ILE 27 -7.965 -8.222 6.138 73 HG22 ILE 27 HG22 ILE 27 -7.521 -9.147 4.703 74 HG23 ILE 27 HG23 ILE 27 -8.559 -7.730 4.553 75 HD11 ILE 27 HD11 ILE 27 -4.500 -9.130 4.139 76 HD12 ILE 27 HD12 ILE 27 -5.679 -9.908 5.194 77 HD13 ILE 27 HD13 ILE 27 -4.046 -9.588 5.782 78 H GLY 28 HN GLY 28 -7.543 -7.974 1.457 79 HA2 GLY 28 HA2 GLY 28 -8.864 -5.473 0.852 80 HA3 GLY 28 HA1 GLY 28 -9.084 -7.003 0.012 81 H GLN 29 HN GLN 29 -11.167 -5.197 0.774 82 HA GLN 29 HA GLN 29 -12.452 -6.014 3.159 83 HB2 GLN 29 HB2 GLN 29 -12.954 -3.883 2.045 84 HB3 GLN 29 HB1 GLN 29 -13.628 -4.752 0.674 85 HG2 GLN 29 HG2 GLN 29 -15.419 -3.938 2.037 86 HG3 GLN 29 HG1 GLN 29 -15.356 -5.695 2.167 87 HE21 GLN 29 HE21 GLN 29 -14.594 -6.629 4.096 88 HE22 GLN 29 HE22 GLN 29 -14.571 -5.740 5.580 89 H ASP 30 HN ASP 30 -12.378 -7.329 -0.054 90 HA ASP 30 HA ASP 30 -14.668 -9.056 0.415 91 HB2 ASP 30 HB2 ASP 30 -14.470 -9.728 -1.851 92 HB3 ASP 30 HB1 ASP 30 -14.130 -8.002 -1.832 93 H SER 31 HN SER 31 -11.926 -9.200 1.826 94 HA SER 31 HA SER 31 -10.668 -10.801 2.814 95 HB2 SER 31 HB2 SER 31 -12.358 -12.961 1.578 96 HB3 SER 31 HB1 SER 31 -11.549 -12.945 3.145 97 HG SER 31 HG SER 31 -13.984 -11.824 2.375 98 H SER 32 HN SER 32 -9.506 -9.797 0.767 99 HA SER 32 HA SER 32 -8.367 -12.030 -0.815 100 HB2 SER 32 HB2 SER 32 -7.728 -9.978 -2.338 101 HB3 SER 32 HB1 SER 32 -9.353 -10.660 -2.423 102 HG SER 32 HG SER 32 -10.071 -8.772 -1.849 103 H GLU 33 HN GLU 33 -6.156 -12.258 -0.655 104 HA GLU 33 HA GLU 33 -4.771 -10.344 1.085 105 HB2 GLU 33 HB2 GLU 33 -4.442 -13.257 0.543 106 HB3 GLU 33 HB1 GLU 33 -3.016 -12.330 0.997 107 HG2 GLU 33 HG2 GLU 33 -3.877 -11.797 3.093 108 HG3 GLU 33 HG1 GLU 33 -5.528 -12.188 2.618 109 H ILE 34 HN ILE 34 -3.729 -8.818 0.013 110 HA ILE 34 HA ILE 34 -2.544 -9.450 -2.597 111 HB ILE 34 HB ILE 34 -2.690 -6.708 -1.374 112 HG12 ILE 34 HG12 ILE 34 -4.975 -7.689 -1.400 113 HG13 ILE 34 HG11 ILE 34 -4.808 -6.317 -2.489 114 HG21 ILE 34 HG21 ILE 34 -2.565 -7.645 -4.235 115 HG22 ILE 34 HG22 ILE 34 -1.220 -6.997 -3.294 116 HG23 ILE 34 HG23 ILE 34 -2.596 -5.963 -3.691 117 HD11 ILE 34 HD11 ILE 34 -4.856 -9.227 -3.245 118 HD12 ILE 34 HD12 ILE 34 -4.547 -7.905 -4.369 119 HD13 ILE 34 HD13 ILE 34 -6.106 -8.021 -3.555 120 H HIS 35 HN HIS 35 -0.462 -9.863 -2.721 121 HA HIS 35 HA HIS 35 1.305 -9.209 -0.491 122 HB2 HIS 35 HB2 HIS 35 2.030 -10.752 -2.988 123 HB3 HIS 35 HB1 HIS 35 2.849 -10.771 -1.433 124 HD2 HIS 35 HD2 HIS 35 0.750 -11.742 0.626 125 HE1 HIS 35 HE1 HIS 35 -0.386 -14.671 -2.205 126 HE2 HIS 35 HE2 HIS 35 -0.486 -13.988 0.230 127 H PHE 36 HN PHE 36 1.759 -7.068 -0.688 128 HA PHE 36 HA PHE 36 2.766 -6.095 -3.268 129 HB2 PHE 36 HB2 PHE 36 0.927 -4.971 -1.636 130 HB3 PHE 36 HB1 PHE 36 2.386 -4.208 -1.005 131 HD1 PHE 36 HD1 PHE 36 3.910 -3.993 -3.578 132 HD2 PHE 36 HD2 PHE 36 -0.155 -3.193 -2.636 133 HE1 PHE 36 HE1 PHE 36 3.800 -2.391 -5.431 134 HE2 PHE 36 HE2 PHE 36 -0.268 -1.578 -4.492 135 HZ PHE 36 HZ PHE 36 1.710 -1.180 -5.889 136 H LYS 37 HN LYS 37 4.890 -5.722 -3.533 137 HA LYS 37 HA LYS 37 6.561 -5.658 -1.110 138 HB2 LYS 37 HB2 LYS 37 8.331 -6.775 -2.597 139 HB3 LYS 37 HB1 LYS 37 7.022 -7.774 -1.984 140 HG2 LYS 37 HG2 LYS 37 5.862 -7.532 -4.149 141 HG3 LYS 37 HG1 LYS 37 7.236 -6.607 -4.754 142 HD2 LYS 37 HD2 LYS 37 7.502 -9.392 -3.650 143 HD3 LYS 37 HD1 LYS 37 7.186 -9.068 -5.354 144 HE2 LYS 37 HE2 LYS 37 9.248 -7.919 -5.605 145 HE3 LYS 37 HE1 LYS 37 9.517 -7.884 -3.864 146 HZ1 LYS 37 HZ1 LYS 37 9.346 -10.414 -5.382 147 HZ2 LYS 37 HZ2 LYS 37 9.961 -10.169 -3.828 148 HZ3 LYS 37 HZ3 LYS 37 10.801 -9.585 -5.171 149 H VAL 38 HN VAL 38 7.984 -4.088 -0.938 150 HA VAL 38 HA VAL 38 8.738 -2.518 -3.305 151 HB VAL 38 HB VAL 38 8.491 -0.423 -2.015 152 HG11 VAL 38 HG11 VAL 38 6.701 -0.829 -3.453 153 HG12 VAL 38 HG12 VAL 38 5.935 -0.486 -1.901 154 HG13 VAL 38 HG13 VAL 38 6.087 -2.150 -2.458 155 HG21 VAL 38 HG21 VAL 38 8.698 -1.309 0.240 156 HG22 VAL 38 HG22 VAL 38 7.174 -2.180 0.054 157 HG23 VAL 38 HG23 VAL 38 7.187 -0.415 0.069 158 H LYS 39 HN LYS 39 10.666 -1.051 -2.776 159 HA LYS 39 HA LYS 39 12.456 -2.554 -0.988 160 HB2 LYS 39 HB2 LYS 39 14.255 -1.980 -2.336 161 HB3 LYS 39 HB1 LYS 39 12.967 -2.143 -3.518 162 HG2 LYS 39 HG2 LYS 39 12.666 0.323 -3.452 163 HG3 LYS 39 HG1 LYS 39 14.067 0.421 -2.384 164 HD2 LYS 39 HD2 LYS 39 15.356 -0.798 -4.199 165 HD3 LYS 39 HD1 LYS 39 13.968 -0.498 -5.247 166 HE2 LYS 39 HE2 LYS 39 14.231 1.958 -4.617 167 HE3 LYS 39 HE1 LYS 39 15.801 1.507 -3.954 168 HZ1 LYS 39 HZ1 LYS 39 14.889 1.317 -6.769 169 HZ2 LYS 39 HZ2 LYS 39 16.305 0.574 -6.206 170 HZ3 LYS 39 HZ3 LYS 39 16.161 2.261 -6.148 171 H MET 40 HN MET 40 14.159 -1.177 0.125 172 HA MET 40 HA MET 40 12.804 0.871 1.610 173 HB2 MET 40 HB2 MET 40 14.488 -0.744 2.573 174 HB3 MET 40 HB1 MET 40 15.739 0.166 1.736 175 HG2 MET 40 HG2 MET 40 15.443 0.742 4.153 176 HG3 MET 40 HG1 MET 40 15.334 2.105 3.040 177 HE1 MET 40 HE1 MET 40 12.375 -0.574 3.742 178 HE2 MET 40 HE2 MET 40 11.767 0.161 5.227 179 HE3 MET 40 HE3 MET 40 13.412 -0.475 5.165 180 H THR 41 HN THR 41 12.389 2.095 -0.366 181 HA THR 41 HA THR 41 13.855 4.483 -0.479 182 HB THR 41 HB THR 41 14.456 2.477 -2.638 183 HG1 THR 41 HG1 THR 41 15.893 3.334 -0.774 184 HG21 THR 41 HG21 THR 41 15.103 4.226 -4.180 185 HG22 THR 41 HG22 THR 41 14.589 5.466 -3.035 186 HG23 THR 41 HG23 THR 41 13.388 4.396 -3.780 187 H THR 42 HN THR 42 11.877 2.189 -2.260 188 HA THR 42 HA THR 42 10.410 3.793 -3.925 189 HB THR 42 HB THR 42 9.171 1.515 -2.395 190 HG1 THR 42 HG1 THR 42 11.046 1.307 -4.554 191 HG21 THR 42 HG21 THR 42 8.934 2.579 -5.192 192 HG22 THR 42 HG22 THR 42 7.686 2.526 -3.934 193 HG23 THR 42 HG23 THR 42 8.242 1.036 -4.674 194 H HIS 43 HN HIS 43 9.545 5.682 -3.277 195 HA HIS 43 HA HIS 43 8.445 6.240 -0.749 196 HB2 HIS 43 HB2 HIS 43 7.656 7.656 -3.299 197 HB3 HIS 43 HB1 HIS 43 7.745 8.321 -1.672 198 HD2 HIS 43 HD2 HIS 43 10.532 8.440 -0.698 199 HE1 HIS 43 HE1 HIS 43 11.973 8.894 -4.648 200 HE2 HIS 43 HE2 HIS 43 12.533 9.154 -2.193 201 H LEU 44 HN LEU 44 6.236 6.451 -0.112 202 HA LEU 44 HA LEU 44 4.593 4.360 -1.123 203 HB2 LEU 44 HB2 LEU 44 3.881 6.557 0.815 204 HB3 LEU 44 HB1 LEU 44 2.941 5.107 0.517 205 HG LEU 44 HG LEU 44 5.644 5.301 1.842 206 HD11 LEU 44 HD11 LEU 44 4.535 4.319 3.731 207 HD12 LEU 44 HD12 LEU 44 3.045 4.128 2.809 208 HD13 LEU 44 HD13 LEU 44 3.631 5.740 3.212 209 HD21 LEU 44 HD21 LEU 44 5.409 2.788 2.060 210 HD22 LEU 44 HD22 LEU 44 5.856 3.397 0.468 211 HD23 LEU 44 HD23 LEU 44 4.199 2.887 0.785 212 H LYS 45 HN LYS 45 5.197 7.328 -2.361 213 HA LYS 45 HA LYS 45 2.638 8.169 -3.240 214 HB2 LYS 45 HB2 LYS 45 4.547 9.690 -3.223 215 HB3 LYS 45 HB1 LYS 45 5.406 8.673 -4.367 216 HG2 LYS 45 HG2 LYS 45 4.473 10.687 -5.408 217 HG3 LYS 45 HG1 LYS 45 3.811 9.206 -6.101 218 HD2 LYS 45 HD2 LYS 45 1.733 9.538 -5.165 219 HD3 LYS 45 HD1 LYS 45 2.367 10.540 -3.857 220 HE2 LYS 45 HE2 LYS 45 2.555 11.515 -6.674 221 HE3 LYS 45 HE1 LYS 45 1.012 11.615 -5.826 222 HZ1 LYS 45 HZ1 LYS 45 2.214 12.802 -4.020 223 HZ2 LYS 45 HZ2 LYS 45 2.161 13.648 -5.488 224 HZ3 LYS 45 HZ3 LYS 45 3.583 12.860 -5.020 225 H LYS 46 HN LYS 46 5.186 6.167 -4.614 226 HA LYS 46 HA LYS 46 3.908 5.609 -7.088 227 HB2 LYS 46 HB2 LYS 46 6.351 5.413 -6.633 228 HB3 LYS 46 HB1 LYS 46 6.022 4.044 -5.594 229 HG2 LYS 46 HG2 LYS 46 6.837 3.238 -7.678 230 HG3 LYS 46 HG1 LYS 46 5.135 2.818 -7.552 231 HD2 LYS 46 HD2 LYS 46 5.963 3.657 -9.796 232 HD3 LYS 46 HD1 LYS 46 4.519 4.399 -9.148 233 HE2 LYS 46 HE2 LYS 46 5.781 6.183 -9.986 234 HE3 LYS 46 HE1 LYS 46 6.052 6.230 -8.249 235 HZ1 LYS 46 HZ1 LYS 46 7.932 5.906 -10.339 236 HZ2 LYS 46 HZ2 LYS 46 8.015 4.576 -9.296 237 HZ3 LYS 46 HZ3 LYS 46 8.214 6.148 -8.685 238 H LEU 47 HN LEU 47 3.654 4.349 -3.891 239 HA LEU 47 HA LEU 47 2.575 1.796 -4.469 240 HB2 LEU 47 HB2 LEU 47 2.802 3.548 -2.089 241 HB3 LEU 47 HB1 LEU 47 1.569 2.307 -2.035 242 HG LEU 47 HG LEU 47 3.457 1.401 -0.975 243 HD11 LEU 47 HD11 LEU 47 2.279 0.019 -2.767 244 HD12 LEU 47 HD12 LEU 47 3.835 -0.552 -2.169 245 HD13 LEU 47 HD13 LEU 47 3.739 0.269 -3.724 246 HD21 LEU 47 HD21 LEU 47 4.940 2.802 -3.098 247 HD22 LEU 47 HD22 LEU 47 5.609 1.263 -2.558 248 HD23 LEU 47 HD23 LEU 47 5.340 2.559 -1.398 249 H LYS 48 HN LYS 48 0.968 4.625 -3.087 250 HA LYS 48 HA LYS 48 -1.631 3.720 -3.257 251 HB2 LYS 48 HB2 LYS 48 -0.486 6.504 -3.254 252 HB3 LYS 48 HB1 LYS 48 -2.220 6.199 -3.198 253 HG2 LYS 48 HG2 LYS 48 -2.127 5.280 -1.083 254 HG3 LYS 48 HG1 LYS 48 -0.422 4.860 -1.229 255 HD2 LYS 48 HD2 LYS 48 -0.613 6.677 0.313 256 HD3 LYS 48 HD1 LYS 48 0.116 7.290 -1.169 257 HE2 LYS 48 HE2 LYS 48 -2.182 8.037 -1.864 258 HE3 LYS 48 HE1 LYS 48 -2.728 7.628 -0.238 259 HZ1 LYS 48 HZ1 LYS 48 -2.233 9.839 -0.024 260 HZ2 LYS 48 HZ2 LYS 48 -0.939 9.790 -1.112 261 HZ3 LYS 48 HZ3 LYS 48 -0.760 9.154 0.449 262 H GLU 49 HN GLU 49 0.178 5.542 -5.741 263 HA GLU 49 HA GLU 49 -2.107 5.860 -7.402 264 HB2 GLU 49 HB2 GLU 49 -0.563 6.564 -9.152 265 HB3 GLU 49 HB1 GLU 49 -0.187 7.344 -7.625 266 HG2 GLU 49 HG2 GLU 49 1.792 6.219 -7.380 267 HG3 GLU 49 HG1 GLU 49 1.263 4.854 -8.364 268 H SER 50 HN SER 50 0.428 3.398 -7.269 269 HA SER 50 HA SER 50 -0.413 2.090 -9.659 270 HB2 SER 50 HB2 SER 50 1.270 1.022 -7.386 271 HB3 SER 50 HB1 SER 50 1.105 0.292 -8.984 272 HG SER 50 HG SER 50 2.435 2.648 -8.215 273 H TYR 51 HN TYR 51 -1.110 1.615 -6.217 274 HA TYR 51 HA TYR 51 -2.440 -0.846 -6.442 275 HB2 TYR 51 HB2 TYR 51 -1.743 0.407 -4.306 276 HB3 TYR 51 HB1 TYR 51 -3.259 1.288 -4.475 277 HD1 TYR 51 HD1 TYR 51 -1.704 -1.684 -3.251 278 HD2 TYR 51 HD2 TYR 51 -5.426 -0.098 -4.554 279 HE1 TYR 51 HE1 TYR 51 -2.879 -3.513 -2.109 280 HE2 TYR 51 HE2 TYR 51 -6.611 -1.924 -3.409 281 HH TYR 51 HH TYR 51 -5.786 -4.490 -2.717 282 H CYS 52 HN CYS 52 -3.624 2.467 -6.766 283 HA CYS 52 HA CYS 52 -6.353 1.836 -7.044 284 HB2 CYS 52 HB2 CYS 52 -4.819 4.178 -8.192 285 HB3 CYS 52 HB1 CYS 52 -6.570 4.081 -8.032 286 HG CYS 52 HG CYS 52 -4.252 4.365 -5.543 287 H GLN 53 HN GLN 53 -3.691 1.968 -9.334 288 HA GLN 53 HA GLN 53 -5.252 1.723 -11.690 289 HB2 GLN 53 HB2 GLN 53 -2.357 1.040 -11.148 290 HB3 GLN 53 HB1 GLN 53 -3.094 1.029 -12.745 291 HG2 GLN 53 HG2 GLN 53 -3.452 3.363 -12.701 292 HG3 GLN 53 HG1 GLN 53 -3.063 3.458 -10.986 293 HE21 GLN 53 HE21 GLN 53 -1.895 4.893 -13.226 294 HE22 GLN 53 HE22 GLN 53 -0.203 4.535 -13.196 295 H ARG 54 HN ARG 54 -3.777 -0.589 -9.486 296 HA ARG 54 HA ARG 54 -4.194 -2.914 -11.037 297 HB2 ARG 54 HB2 ARG 54 -2.664 -2.807 -9.088 298 HB3 ARG 54 HB1 ARG 54 -4.055 -2.662 -8.024 299 HG2 ARG 54 HG2 ARG 54 -3.498 -4.906 -7.877 300 HG3 ARG 54 HG1 ARG 54 -4.813 -4.895 -9.053 301 HD2 ARG 54 HD2 ARG 54 -2.851 -4.668 -10.779 302 HD3 ARG 54 HD1 ARG 54 -1.892 -5.348 -9.465 303 HE ARG 54 HE ARG 54 -4.149 -6.952 -9.758 304 HH11 ARG 54 HH11 ARG 54 -1.332 -6.055 -11.629 305 HH12 ARG 54 HH12 ARG 54 -1.284 -7.544 -12.516 306 HH21 ARG 54 HH21 ARG 54 -4.106 -8.911 -10.921 307 HH22 ARG 54 HH22 ARG 54 -2.867 -9.179 -12.111 308 H GLN 55 HN GLN 55 -6.161 -1.269 -8.607 309 HA GLN 55 HA GLN 55 -8.256 -3.227 -8.688 310 HB2 GLN 55 HB2 GLN 55 -8.146 -0.429 -7.558 311 HB3 GLN 55 HB1 GLN 55 -9.544 -1.484 -7.404 312 HG2 GLN 55 HG2 GLN 55 -6.803 -1.865 -6.237 313 HG3 GLN 55 HG1 GLN 55 -8.327 -1.616 -5.382 314 HE21 GLN 55 HE21 GLN 55 -9.865 -3.313 -5.361 315 HE22 GLN 55 HE22 GLN 55 -9.372 -4.956 -5.602 316 H GLY 56 HN GLY 56 -7.455 -0.347 -10.434 317 HA2 GLY 56 HA2 GLY 56 -8.334 0.253 -12.527 318 HA3 GLY 56 HA1 GLY 56 -9.679 -0.843 -12.250 319 H VAL 57 HN VAL 57 -8.610 1.563 -9.958 320 HA VAL 57 HA VAL 57 -11.017 3.163 -10.515 321 HB VAL 57 HB VAL 57 -11.112 3.610 -8.021 322 HG11 VAL 57 HG11 VAL 57 -12.337 1.553 -7.513 323 HG12 VAL 57 HG12 VAL 57 -11.616 0.771 -8.921 324 HG13 VAL 57 HG13 VAL 57 -12.713 2.136 -9.134 325 HG21 VAL 57 HG21 VAL 57 -8.855 2.823 -7.479 326 HG22 VAL 57 HG22 VAL 57 -9.335 1.177 -7.899 327 HG23 VAL 57 HG23 VAL 57 -10.089 1.990 -6.525 328 HA PRO 58 HA PRO 58 -8.306 6.663 -10.572 329 HB2 PRO 58 HB2 PRO 58 -9.835 8.571 -9.340 330 HB3 PRO 58 HB1 PRO 58 -10.080 8.044 -11.011 331 HG2 PRO 58 HG2 PRO 58 -11.557 7.226 -8.551 332 HG3 PRO 58 HG1 PRO 58 -12.180 7.579 -10.176 333 HD2 PRO 58 HD2 PRO 58 -11.853 5.058 -9.302 334 HD3 PRO 58 HD1 PRO 58 -11.603 5.509 -11.001 335 H MET 59 HN MET 59 -7.159 8.208 -9.177 336 HA MET 59 HA MET 59 -6.345 6.964 -6.740 337 HB2 MET 59 HB2 MET 59 -4.949 8.403 -8.373 338 HB3 MET 59 HB1 MET 59 -5.648 9.781 -7.532 339 HG2 MET 59 HG2 MET 59 -4.658 9.118 -5.469 340 HG3 MET 59 HG1 MET 59 -4.128 7.583 -6.155 341 HE1 MET 59 HE1 MET 59 -2.098 9.374 -4.569 342 HE2 MET 59 HE2 MET 59 -0.700 9.330 -5.647 343 HE3 MET 59 HE3 MET 59 -1.657 7.872 -5.384 344 H ASN 60 HN ASN 60 -6.478 7.800 -4.624 345 HA ASN 60 HA ASN 60 -7.364 8.845 -2.816 346 HB2 ASN 60 HB2 ASN 60 -7.263 10.913 -4.486 347 HB3 ASN 60 HB1 ASN 60 -9.014 10.751 -4.417 348 HD21 ASN 60 HD21 ASN 60 -10.064 11.022 -2.393 349 HD22 ASN 60 HD22 ASN 60 -9.308 11.920 -1.121 350 H SER 61 HN SER 61 -8.656 6.693 -4.383 351 HA SER 61 HA SER 61 -11.463 7.106 -3.626 352 HB2 SER 61 HB2 SER 61 -11.878 5.063 -5.021 353 HB3 SER 61 HB1 SER 61 -11.189 6.410 -5.929 354 HG SER 61 HG SER 61 -9.476 5.256 -6.317 355 H LEU 62 HN LEU 62 -8.607 5.332 -2.904 356 HA LEU 62 HA LEU 62 -10.048 3.809 -0.843 357 HB2 LEU 62 HB2 LEU 62 -7.682 2.880 -2.476 358 HB3 LEU 62 HB1 LEU 62 -8.418 1.989 -1.159 359 HG LEU 62 HG LEU 62 -9.982 2.742 -3.617 360 HD11 LEU 62 HD11 LEU 62 -9.503 0.492 -4.468 361 HD12 LEU 62 HD12 LEU 62 -8.360 0.244 -3.153 362 HD13 LEU 62 HD13 LEU 62 -8.050 1.480 -4.370 363 HD21 LEU 62 HD21 LEU 62 -10.318 0.675 -1.446 364 HD22 LEU 62 HD22 LEU 62 -11.301 0.749 -2.908 365 HD23 LEU 62 HD23 LEU 62 -11.336 2.082 -1.755 366 H ARG 63 HN ARG 63 -9.257 3.997 1.166 367 HA ARG 63 HA ARG 63 -6.768 5.518 1.511 368 HB2 ARG 63 HB2 ARG 63 -7.528 6.028 3.753 369 HB3 ARG 63 HB1 ARG 63 -8.796 6.433 2.603 370 HG2 ARG 63 HG2 ARG 63 -10.032 4.461 3.184 371 HG3 ARG 63 HG1 ARG 63 -8.711 3.884 4.203 372 HD2 ARG 63 HD2 ARG 63 -9.053 5.620 5.782 373 HD3 ARG 63 HD1 ARG 63 -10.131 6.494 4.694 374 HE ARG 63 HE ARG 63 -10.799 4.249 6.390 375 HH11 ARG 63 HH11 ARG 63 -11.714 6.184 3.610 376 HH12 ARG 63 HH12 ARG 63 -13.387 5.712 3.688 377 HH21 ARG 63 HH21 ARG 63 -14.120 4.277 5.324 378 HH22 ARG 63 HH22 ARG 63 -12.999 3.643 6.490 379 H PHE 64 HN PHE 64 -5.128 4.770 2.813 380 HA PHE 64 HA PHE 64 -5.260 1.901 3.437 381 HB2 PHE 64 HB2 PHE 64 -2.897 3.658 2.746 382 HB3 PHE 64 HB1 PHE 64 -2.750 1.998 3.315 383 HD1 PHE 64 HD1 PHE 64 -3.841 4.142 0.546 384 HD2 PHE 64 HD2 PHE 64 -3.268 0.146 1.894 385 HE1 PHE 64 HE1 PHE 64 -4.108 3.331 -1.761 386 HE2 PHE 64 HE2 PHE 64 -3.531 -0.672 -0.411 387 HZ PHE 64 HZ PHE 64 -3.952 0.922 -2.241 388 H LEU 65 HN LEU 65 -5.185 1.325 5.493 389 HA LEU 65 HA LEU 65 -4.369 3.353 7.468 390 HB2 LEU 65 HB2 LEU 65 -6.327 1.074 7.748 391 HB3 LEU 65 HB1 LEU 65 -5.839 2.136 9.055 392 HG LEU 65 HG LEU 65 -7.257 3.057 6.555 393 HD11 LEU 65 HD11 LEU 65 -8.301 2.428 9.307 394 HD12 LEU 65 HD12 LEU 65 -8.749 1.656 7.785 395 HD13 LEU 65 HD13 LEU 65 -9.197 3.335 8.088 396 HD21 LEU 65 HD21 LEU 65 -7.644 5.101 7.906 397 HD22 LEU 65 HD22 LEU 65 -5.944 4.818 7.530 398 HD23 LEU 65 HD23 LEU 65 -6.567 4.448 9.139 399 H PHE 66 HN PHE 66 -2.761 2.938 8.769 400 HA PHE 66 HA PHE 66 -1.873 0.172 9.166 401 HB2 PHE 66 HB2 PHE 66 -0.395 1.056 7.464 402 HB3 PHE 66 HB1 PHE 66 -0.129 2.524 8.397 403 HD1 PHE 66 HD1 PHE 66 0.314 -1.169 8.613 404 HD2 PHE 66 HD2 PHE 66 1.726 2.678 9.760 405 HE1 PHE 66 HE1 PHE 66 2.270 -2.208 9.682 406 HE2 PHE 66 HE2 PHE 66 3.683 1.645 10.828 407 HZ PHE 66 HZ PHE 66 3.957 -0.799 10.791 408 H GLU 67 HN GLU 67 -1.918 -0.223 11.254 409 HA GLU 67 HA GLU 67 -1.847 -0.007 13.501 410 HB2 GLU 67 HB2 GLU 67 0.211 2.008 12.661 411 HB3 GLU 67 HB1 GLU 67 -0.194 1.798 14.361 412 HG2 GLU 67 HG2 GLU 67 0.744 -0.409 12.542 413 HG3 GLU 67 HG1 GLU 67 1.780 0.500 13.640 414 H GLY 68 HN GLY 68 -3.894 1.427 12.044 415 HA2 GLY 68 HA2 GLY 68 -5.736 2.568 12.943 416 HA3 GLY 68 HA1 GLY 68 -4.706 3.193 14.219 417 H GLN 69 HN GLN 69 -2.740 3.980 11.970 418 HA GLN 69 HA GLN 69 -4.053 6.553 11.450 419 HB2 GLN 69 HB2 GLN 69 -1.133 5.774 11.348 420 HB3 GLN 69 HB1 GLN 69 -1.752 7.374 10.958 421 HG2 GLN 69 HG2 GLN 69 -2.697 7.477 13.269 422 HG3 GLN 69 HG1 GLN 69 -1.840 5.977 13.619 423 HE21 GLN 69 HE21 GLN 69 -1.542 8.596 14.828 424 HE22 GLN 69 HE22 GLN 69 0.113 9.049 14.604 425 H ARG 70 HN ARG 70 -3.712 7.566 9.331 426 HA ARG 70 HA ARG 70 -3.900 5.534 7.238 427 HB2 ARG 70 HB2 ARG 70 -4.973 7.231 5.876 428 HB3 ARG 70 HB1 ARG 70 -5.772 7.111 7.436 429 HG2 ARG 70 HG2 ARG 70 -4.676 9.123 8.195 430 HG3 ARG 70 HG1 ARG 70 -3.751 9.214 6.694 431 HD2 ARG 70 HD2 ARG 70 -6.737 9.479 7.015 432 HD3 ARG 70 HD1 ARG 70 -5.600 10.747 6.562 433 HE ARG 70 HE ARG 70 -5.187 9.058 4.588 434 HH11 ARG 70 HH11 ARG 70 -9.128 9.823 4.555 435 HH12 ARG 70 HH12 ARG 70 -8.223 10.054 6.015 436 HH21 ARG 70 HH21 ARG 70 -8.095 9.065 2.660 437 HH22 ARG 70 HH22 ARG 70 -6.388 8.715 2.684 438 H ILE 71 HN ILE 71 -2.756 5.647 5.330 439 HA ILE 71 HA ILE 71 -0.088 6.632 5.558 440 HB ILE 71 HB ILE 71 -1.538 5.441 3.187 441 HG12 ILE 71 HG12 ILE 71 -1.388 3.913 5.106 442 HG13 ILE 71 HG11 ILE 71 -0.368 3.369 3.779 443 HG21 ILE 71 HG21 ILE 71 0.382 6.764 2.477 444 HG22 ILE 71 HG22 ILE 71 0.671 5.041 2.231 445 HG23 ILE 71 HG23 ILE 71 1.416 5.874 3.596 446 HD11 ILE 71 HD11 ILE 71 0.543 4.770 6.280 447 HD12 ILE 71 HD12 ILE 71 1.585 4.326 4.928 448 HD13 ILE 71 HD13 ILE 71 0.777 3.072 5.869 449 H ALA 72 HN ALA 72 0.758 8.490 4.880 450 HA ALA 72 HA ALA 72 -0.984 10.477 3.685 451 HB1 ALA 72 HB1 ALA 72 1.910 10.756 4.481 452 HB2 ALA 72 HB2 ALA 72 0.551 11.006 5.577 453 HB3 ALA 72 HB3 ALA 72 0.756 12.054 4.175 454 H ASP 73 HN ASP 73 0.910 11.977 2.244 455 HA ASP 73 HA ASP 73 1.185 10.267 -0.123 456 HB2 ASP 73 HB2 ASP 73 0.083 12.747 0.133 457 HB3 ASP 73 HB1 ASP 73 1.714 13.152 -0.394 458 H ASN 74 HN ASN 74 3.001 12.098 2.184 459 HA ASN 74 HA ASN 74 5.481 11.731 0.655 460 HB2 ASN 74 HB2 ASN 74 6.457 13.393 2.111 461 HB3 ASN 74 HB1 ASN 74 4.911 14.011 1.532 462 HD21 ASN 74 HD21 ASN 74 6.573 14.522 3.975 463 HD22 ASN 74 HD22 ASN 74 5.475 14.326 5.300 464 H HIS 75 HN HIS 75 3.841 9.831 2.559 465 HA HIS 75 HA HIS 75 5.619 9.269 4.707 466 HB2 HIS 75 HB2 HIS 75 3.175 7.998 3.579 467 HB3 HIS 75 HB1 HIS 75 4.233 6.995 4.567 468 HD2 HIS 75 HD2 HIS 75 4.512 10.274 6.195 469 HE1 HIS 75 HE1 HIS 75 1.046 8.521 7.872 470 HE2 HIS 75 HE2 HIS 75 2.759 10.374 8.103 471 H THR 76 HN THR 76 7.146 7.733 4.929 472 HA THR 76 HA THR 76 7.980 6.308 2.484 473 HB THR 76 HB THR 76 10.276 6.302 3.546 474 HG1 THR 76 HG1 THR 76 8.911 8.048 5.344 475 HG21 THR 76 HG21 THR 76 9.739 7.858 1.746 476 HG22 THR 76 HG22 THR 76 10.783 8.639 2.936 477 HG23 THR 76 HG23 THR 76 9.055 8.993 2.913 478 HA PRO 77 HA PRO 77 7.470 2.507 4.706 479 HB2 PRO 77 HB2 PRO 77 9.855 1.348 3.485 480 HB3 PRO 77 HB1 PRO 77 8.155 0.964 3.193 481 HG2 PRO 77 HG2 PRO 77 9.690 2.201 1.351 482 HG3 PRO 77 HG1 PRO 77 7.945 2.491 1.504 483 HD2 PRO 77 HD2 PRO 77 10.225 4.166 2.476 484 HD3 PRO 77 HD1 PRO 77 8.700 4.667 1.714 485 H LYS 78 HN LYS 78 10.071 4.481 5.307 486 HA LYS 78 HA LYS 78 11.387 2.625 7.139 487 HB2 LYS 78 HB2 LYS 78 12.872 3.884 5.717 488 HB3 LYS 78 HB1 LYS 78 12.129 5.398 6.203 489 HG2 LYS 78 HG2 LYS 78 14.323 5.025 7.247 490 HG3 LYS 78 HG1 LYS 78 13.024 5.183 8.429 491 HD2 LYS 78 HD2 LYS 78 14.406 3.393 9.157 492 HD3 LYS 78 HD1 LYS 78 12.934 2.668 8.512 493 HE2 LYS 78 HE2 LYS 78 14.057 2.101 6.457 494 HE3 LYS 78 HE1 LYS 78 15.507 2.966 6.965 495 HZ1 LYS 78 HZ1 LYS 78 14.382 0.529 8.234 496 HZ2 LYS 78 HZ2 LYS 78 15.726 1.381 8.801 497 HZ3 LYS 78 HZ3 LYS 78 15.789 0.615 7.298 498 H GLU 79 HN GLU 79 9.312 5.426 7.150 499 HA GLU 79 HA GLU 79 9.712 5.879 9.986 500 HB2 GLU 79 HB2 GLU 79 8.121 7.702 9.743 501 HB3 GLU 79 HB1 GLU 79 9.353 7.796 8.493 502 HG2 GLU 79 HG2 GLU 79 7.709 6.629 6.973 503 HG3 GLU 79 HG1 GLU 79 6.495 6.927 8.217 504 H LEU 80 HN LEU 80 7.741 6.053 11.392 505 HA LEU 80 HA LEU 80 5.886 5.221 12.396 506 HB2 LEU 80 HB2 LEU 80 5.308 4.823 9.611 507 HB3 LEU 80 HB1 LEU 80 4.690 3.473 10.543 508 HG LEU 80 HG LEU 80 4.076 6.338 11.249 509 HD11 LEU 80 HD11 LEU 80 3.219 6.088 9.058 510 HD12 LEU 80 HD12 LEU 80 1.859 5.859 10.155 511 HD13 LEU 80 HD13 LEU 80 2.625 4.463 9.399 512 HD21 LEU 80 HD21 LEU 80 2.217 5.339 12.468 513 HD22 LEU 80 HD22 LEU 80 3.757 4.684 13.022 514 HD23 LEU 80 HD23 LEU 80 2.726 3.734 11.952 515 H GLY 81 HN GLY 81 7.477 2.786 10.339 516 HA2 GLY 81 HA2 GLY 81 8.776 1.091 11.601 517 HA3 GLY 81 HA1 GLY 81 7.391 0.977 12.676 518 H MET 82 HN MET 82 8.292 0.568 9.265 519 HA MET 82 HA MET 82 6.177 -1.456 9.027 520 HB2 MET 82 HB2 MET 82 7.718 0.083 6.935 521 HB3 MET 82 HB1 MET 82 6.656 -1.264 6.550 522 HG2 MET 82 HG2 MET 82 4.870 0.095 7.833 523 HG3 MET 82 HG1 MET 82 5.968 1.450 7.578 524 HE1 MET 82 HE1 MET 82 2.861 1.067 6.498 525 HE2 MET 82 HE2 MET 82 3.018 1.864 4.933 526 HE3 MET 82 HE3 MET 82 3.779 2.564 6.358 527 H GLU 83 HN GLU 83 6.630 -3.544 8.438 528 HA GLU 83 HA GLU 83 9.403 -4.279 7.870 529 HB2 GLU 83 HB2 GLU 83 7.965 -4.886 10.369 530 HB3 GLU 83 HB1 GLU 83 8.735 -6.273 9.611 531 HG2 GLU 83 HG2 GLU 83 10.088 -3.701 10.385 532 HG3 GLU 83 HG1 GLU 83 10.190 -5.235 11.246 533 H GLU 84 HN GLU 84 9.433 -6.823 7.633 534 HA GLU 84 HA GLU 84 7.741 -7.441 5.430 535 HB2 GLU 84 HB2 GLU 84 9.918 -8.388 5.433 536 HB3 GLU 84 HB1 GLU 84 9.725 -9.021 7.059 537 HG2 GLU 84 HG2 GLU 84 9.380 -10.951 5.990 538 HG3 GLU 84 HG1 GLU 84 7.742 -10.330 5.809 539 H GLU 85 HN GLU 85 6.040 -8.905 5.286 540 HA GLU 85 HA GLU 85 4.222 -10.110 5.925 541 HB2 GLU 85 HB2 GLU 85 5.950 -10.591 8.339 542 HB3 GLU 85 HB1 GLU 85 4.310 -11.212 8.254 543 HG2 GLU 85 HG2 GLU 85 6.540 -11.837 6.335 544 HG3 GLU 85 HG1 GLU 85 5.936 -12.897 7.607 545 H ASP 86 HN ASP 86 4.584 -7.232 6.499 546 HA ASP 86 HA ASP 86 3.157 -6.676 8.915 547 HB2 ASP 86 HB2 ASP 86 4.763 -5.204 7.242 548 HB3 ASP 86 HB1 ASP 86 3.159 -4.577 6.872 549 H VAL 87 HN VAL 87 1.091 -5.594 8.998 550 HA VAL 87 HA VAL 87 -0.718 -6.519 6.863 551 HB VAL 87 HB VAL 87 -1.413 -6.105 9.775 552 HG11 VAL 87 HG11 VAL 87 -3.313 -5.793 8.315 553 HG12 VAL 87 HG12 VAL 87 -3.475 -7.317 9.188 554 HG13 VAL 87 HG13 VAL 87 -2.972 -7.318 7.497 555 HG21 VAL 87 HG21 VAL 87 -0.930 -8.682 8.286 556 HG22 VAL 87 HG22 VAL 87 -1.490 -8.536 9.953 557 HG23 VAL 87 HG23 VAL 87 0.126 -7.980 9.512 558 H ILE 88 HN ILE 88 -1.770 -4.991 5.788 559 HA ILE 88 HA ILE 88 -2.273 -2.421 7.117 560 HB ILE 88 HB ILE 88 -0.352 -2.241 5.512 561 HG12 ILE 88 HG12 ILE 88 -2.732 -0.642 4.574 562 HG13 ILE 88 HG11 ILE 88 -1.956 -0.360 6.127 563 HG21 ILE 88 HG21 ILE 88 -2.472 -2.859 3.467 564 HG22 ILE 88 HG22 ILE 88 -1.041 -3.817 3.828 565 HG23 ILE 88 HG23 ILE 88 -0.871 -2.223 3.096 566 HD11 ILE 88 HD11 ILE 88 -1.135 1.208 4.513 567 HD12 ILE 88 HD12 ILE 88 -0.689 -0.098 3.413 568 HD13 ILE 88 HD13 ILE 88 0.157 0.092 4.950 569 H GLU 89 HN GLU 89 -4.239 -1.464 6.639 570 HA GLU 89 HA GLU 89 -6.130 -3.219 5.221 571 HB2 GLU 89 HB2 GLU 89 -6.747 -1.060 7.240 572 HB3 GLU 89 HB1 GLU 89 -7.874 -2.234 6.577 573 HG2 GLU 89 HG2 GLU 89 -6.636 -4.039 7.662 574 HG3 GLU 89 HG1 GLU 89 -5.509 -2.859 8.332 575 H VAL 90 HN VAL 90 -7.668 -2.322 3.823 576 HA VAL 90 HA VAL 90 -7.261 0.459 3.013 577 HB VAL 90 HB VAL 90 -5.885 -0.771 1.462 578 HG11 VAL 90 HG11 VAL 90 -8.313 -2.488 0.964 579 HG12 VAL 90 HG12 VAL 90 -6.783 -2.987 1.688 580 HG13 VAL 90 HG13 VAL 90 -6.842 -2.521 -0.013 581 HG21 VAL 90 HG21 VAL 90 -6.919 -0.173 -0.661 582 HG22 VAL 90 HG22 VAL 90 -7.177 1.088 0.548 583 HG23 VAL 90 HG23 VAL 90 -8.488 -0.020 0.135 584 H TYR 91 HN TYR 91 -9.119 1.508 2.694 585 HA TYR 91 HA TYR 91 -11.558 -0.039 2.147 586 HB2 TYR 91 HB2 TYR 91 -11.309 2.105 4.267 587 HB3 TYR 91 HB1 TYR 91 -12.810 1.326 3.782 588 HD1 TYR 91 HD1 TYR 91 -12.982 -1.211 4.114 589 HD2 TYR 91 HD2 TYR 91 -9.983 1.184 5.948 590 HE1 TYR 91 HE1 TYR 91 -12.601 -2.975 5.781 591 HE2 TYR 91 HE2 TYR 91 -9.592 -0.575 7.620 592 HH TYR 91 HH TYR 91 -10.469 -3.638 7.307 593 H GLN 92 HN GLN 92 -13.374 1.360 1.428 594 HA GLN 92 HA GLN 92 -12.451 3.155 -0.600 595 HB2 GLN 92 HB2 GLN 92 -14.424 1.591 -0.809 596 HB3 GLN 92 HB1 GLN 92 -15.301 2.673 0.265 597 HG2 GLN 92 HG2 GLN 92 -14.986 4.497 -1.346 598 HG3 GLN 92 HG1 GLN 92 -14.170 3.373 -2.433 599 HE21 GLN 92 HE21 GLN 92 -17.202 4.377 -1.090 600 HE22 GLN 92 HE22 GLN 92 -18.209 3.444 -2.138 601 H GLU 93 HN GLU 93 -12.469 5.317 -0.655 602 HA GLU 93 HA GLU 93 -12.726 6.756 1.801 603 HB2 GLU 93 HB2 GLU 93 -12.120 7.552 -1.035 604 HB3 GLU 93 HB1 GLU 93 -12.337 8.758 0.226 605 HG2 GLU 93 HG2 GLU 93 -10.343 6.517 0.409 606 HG3 GLU 93 HG1 GLU 93 -9.967 8.104 -0.263 607 H GLN 94 HN GLN 94 -14.018 8.783 1.949 608 HA GLN 94 HA GLN 94 -16.767 8.209 1.414 609 HB2 GLN 94 HB2 GLN 94 -15.869 9.420 3.444 610 HB3 GLN 94 HB1 GLN 94 -15.598 10.809 2.405 611 HG2 GLN 94 HG2 GLN 94 -17.799 11.324 2.280 612 HG3 GLN 94 HG1 GLN 94 -18.309 9.638 2.376 613 HE21 GLN 94 HE21 GLN 94 -19.888 10.228 3.903 614 HE22 GLN 94 HE22 GLN 94 -19.471 10.544 5.550 615 H THR 95 HN THR 95 -14.261 10.075 -0.088 616 HA THR 95 HA THR 95 -15.980 11.644 -1.754 617 HB THR 95 HB THR 95 -13.527 11.591 -3.013 618 HG1 THR 95 HG1 THR 95 -12.710 11.806 -0.373 619 HG21 THR 95 HG21 THR 95 -14.753 13.605 -2.437 620 HG22 THR 95 HG22 THR 95 -13.102 13.715 -1.825 621 HG23 THR 95 HG23 THR 95 -14.428 13.340 -0.723 622 H GLY 96 HN GLY 96 -14.089 8.680 -2.123 623 HA2 GLY 96 HA2 GLY 96 -14.596 6.874 -3.525 624 HA3 GLY 96 HA1 GLY 96 -15.783 7.875 -4.348 625 H GLY 97 HN GLY 97 -12.964 9.605 -4.057 626 HA2 GLY 97 HA2 GLY 97 -11.185 8.645 -5.902 627 HA3 GLY 97 HA1 GLY 97 -12.432 9.424 -6.871 628 H1 ASP 195 HN ASP 195 -8.041 -19.893 -5.628 629 HA ASP 195 HA ASP 195 -9.045 -18.868 -3.517 630 HB2 ASP 195 HB2 ASP 195 -7.079 -20.231 -2.302 631 HB3 ASP 195 HB1 ASP 195 -6.238 -18.702 -2.542 632 H THR 196 HN THR 196 -7.456 -16.648 -2.630 633 HA THR 196 HA THR 196 -6.870 -15.437 -5.255 634 HB THR 196 HB THR 196 -7.562 -13.724 -2.944 635 HG1 THR 196 HG1 THR 196 -9.317 -15.012 -2.726 636 HG21 THR 196 HG21 THR 196 -8.479 -12.317 -4.643 637 HG22 THR 196 HG22 THR 196 -8.393 -13.605 -5.841 638 HG23 THR 196 HG23 THR 196 -6.911 -12.886 -5.214 639 H ALA 197 HN ALA 197 -4.813 -15.142 -5.542 640 HA ALA 197 HA ALA 197 -3.211 -14.018 -3.346 641 HB1 ALA 197 HB1 ALA 197 -1.264 -15.264 -4.212 642 HB2 ALA 197 HB2 ALA 197 -2.322 -16.088 -5.358 643 HB3 ALA 197 HB3 ALA 197 -2.539 -16.334 -3.625 644 H GLY 198 HN GLY 198 -2.360 -12.085 -3.905 645 HA2 GLY 198 HA2 GLY 198 -1.893 -11.653 -6.788 646 HA3 GLY 198 HA1 GLY 198 -2.605 -10.404 -5.772 647 H CYS 199 HN CYS 199 0.196 -11.173 -7.240 648 HA CYS 199 HA CYS 199 1.737 -9.900 -5.068 649 HB2 CYS 199 HB2 CYS 199 2.822 -11.729 -7.237 650 HB3 CYS 199 HB1 CYS 199 3.714 -11.099 -5.856 651 HG CYS 199 HG CYS 199 1.464 -12.528 -4.282 652 H ILE 200 HN ILE 200 2.312 -7.897 -5.516 653 HA ILE 200 HA ILE 200 2.795 -7.129 -8.311 654 HB ILE 200 HB ILE 200 0.634 -6.268 -7.937 655 HG12 ILE 200 HG12 ILE 200 2.594 -4.029 -7.380 656 HG13 ILE 200 HG11 ILE 200 2.124 -4.630 -8.968 657 HG21 ILE 200 HG21 ILE 200 1.651 -5.509 -5.227 658 HG22 ILE 200 HG22 ILE 200 0.239 -6.478 -5.660 659 HG23 ILE 200 HG23 ILE 200 0.224 -4.730 -5.915 660 HD11 ILE 200 HD11 ILE 200 0.356 -3.225 -6.974 661 HD12 ILE 200 HD12 ILE 200 -0.195 -3.921 -8.505 662 HD13 ILE 200 HD13 ILE 200 0.957 -2.585 -8.514 663 H VAL 201 HN VAL 201 4.633 -5.955 -8.648 664 HA VAL 201 HA VAL 201 5.905 -4.809 -6.245 665 HB VAL 201 HB VAL 201 7.290 -6.647 -6.910 666 HG11 VAL 201 HG11 VAL 201 8.221 -6.894 -9.159 667 HG12 VAL 201 HG12 VAL 201 7.269 -5.515 -9.699 668 HG13 VAL 201 HG13 VAL 201 6.459 -6.985 -9.167 669 HG21 VAL 201 HG21 VAL 201 8.487 -4.619 -6.278 670 HG22 VAL 201 HG22 VAL 201 8.518 -4.104 -7.966 671 HG23 VAL 201 HG23 VAL 201 9.396 -5.551 -7.464 672 H ILE 202 HN ILE 202 6.204 -2.695 -6.300 673 HA ILE 202 HA ILE 202 6.161 -1.332 -8.896 674 HB ILE 202 HB ILE 202 4.898 0.493 -8.007 675 HG12 ILE 202 HG12 ILE 202 3.703 -0.013 -5.725 676 HG13 ILE 202 HG11 ILE 202 5.173 -0.925 -5.394 677 HG21 ILE 202 HG21 ILE 202 3.690 -2.197 -7.549 678 HG22 ILE 202 HG22 ILE 202 3.576 -1.178 -8.986 679 HG23 ILE 202 HG23 ILE 202 2.756 -0.704 -7.495 680 HD11 ILE 202 HD11 ILE 202 6.257 1.366 -6.204 681 HD12 ILE 202 HD12 ILE 202 5.775 1.074 -4.532 682 HD13 ILE 202 HD13 ILE 202 4.716 1.979 -5.613 683 H SEP 203 HN SEP 203 7.594 0.386 -9.137 684 HA SEP 203 HA SEP 203 9.545 0.587 -6.945 685 HB2 SEP 203 HB1 SEP 203 9.976 0.578 -9.900 686 HB3 SEP 203 HB2 SEP 203 10.450 -0.695 -8.764 687 H ASP 204 HN ASP 204 10.061 2.454 -6.189 688 HA ASP 204 HA ASP 204 9.792 4.853 -7.878 689 HB2 ASP 204 HB2 ASP 204 8.107 4.466 -5.731 690 HB3 ASP 204 HB1 ASP 204 9.457 5.276 -4.961 691 H SEP 205 HN SEP 205 11.769 5.523 -8.117 692 HA SEP 205 HA SEP 205 13.523 5.495 -5.776 693 HB2 SEP 205 HB1 SEP 205 14.824 5.174 -8.429 694 HB3 SEP 205 HB2 SEP 205 13.955 3.776 -7.756 695 H GLU 206 HN GLU 206 14.575 7.351 -5.289 696 HA GLU 206 HA GLU 206 13.720 9.750 -6.451 697 HB2 GLU 206 HB2 GLU 206 14.919 9.302 -4.173 698 HB3 GLU 206 HB1 GLU 206 16.380 9.602 -5.107 699 HG2 GLU 206 HG2 GLU 206 15.791 11.657 -4.132 700 HG3 GLU 206 HG1 GLU 206 15.348 11.774 -5.831 Start of MODEL 9 1 H1 TYR 21 HN TYR 21 14.191 -7.137 -0.037 2 HA TYR 21 HA TYR 21 12.070 -5.351 -0.748 3 HB2 TYR 21 HB2 TYR 21 12.743 -8.176 -1.200 4 HB3 TYR 21 HB1 TYR 21 11.015 -7.854 -1.077 5 HD1 TYR 21 HD1 TYR 21 9.884 -6.483 -2.718 6 HD2 TYR 21 HD2 TYR 21 14.051 -7.267 -3.044 7 HE1 TYR 21 HE1 TYR 21 9.848 -5.677 -5.037 8 HE2 TYR 21 HE2 TYR 21 14.026 -6.459 -5.368 9 HH TYR 21 HH TYR 21 11.558 -4.657 -6.654 10 H ILE 22 HN ILE 22 10.291 -4.855 0.321 11 HA ILE 22 HA ILE 22 9.727 -6.287 2.843 12 HB ILE 22 HB ILE 22 8.861 -3.484 2.116 13 HG12 ILE 22 HG12 ILE 22 11.308 -3.579 2.276 14 HG13 ILE 22 HG11 ILE 22 10.623 -2.679 3.623 15 HG21 ILE 22 HG21 ILE 22 8.474 -3.306 4.574 16 HG22 ILE 22 HG22 ILE 22 8.787 -5.038 4.693 17 HG23 ILE 22 HG23 ILE 22 7.414 -4.454 3.753 18 HD11 ILE 22 HD11 ILE 22 11.670 -5.496 3.676 19 HD12 ILE 22 HD12 ILE 22 10.875 -4.696 5.033 20 HD13 ILE 22 HD13 ILE 22 12.404 -4.072 4.414 21 H LYS 23 HN LYS 23 8.171 -7.754 2.409 22 HA LYS 23 HA LYS 23 6.075 -7.079 0.511 23 HB2 LYS 23 HB2 LYS 23 7.246 -9.304 0.463 24 HB3 LYS 23 HB1 LYS 23 6.456 -9.678 1.988 25 HG2 LYS 23 HG2 LYS 23 4.276 -9.108 0.691 26 HG3 LYS 23 HG1 LYS 23 5.276 -9.386 -0.736 27 HD2 LYS 23 HD2 LYS 23 4.261 -11.461 -0.262 28 HD3 LYS 23 HD1 LYS 23 5.912 -11.603 0.329 29 HE2 LYS 23 HE2 LYS 23 3.880 -10.622 2.243 30 HE3 LYS 23 HE1 LYS 23 3.780 -12.316 1.774 31 HZ1 LYS 23 HZ1 LYS 23 5.136 -12.252 3.660 32 HZ2 LYS 23 HZ2 LYS 23 6.041 -10.923 3.104 33 HZ3 LYS 23 HZ3 LYS 23 6.214 -12.435 2.365 34 H LEU 24 HN LEU 24 4.500 -5.916 1.279 35 HA LEU 24 HA LEU 24 3.562 -6.272 4.018 36 HB2 LEU 24 HB2 LEU 24 2.588 -4.310 1.948 37 HB3 LEU 24 HB1 LEU 24 2.358 -4.228 3.686 38 HG LEU 24 HG LEU 24 5.122 -4.154 2.525 39 HD11 LEU 24 HD11 LEU 24 3.229 -1.831 2.797 40 HD12 LEU 24 HD12 LEU 24 3.968 -2.439 1.317 41 HD13 LEU 24 HD13 LEU 24 4.969 -1.687 2.557 42 HD21 LEU 24 HD21 LEU 24 5.577 -2.876 4.567 43 HD22 LEU 24 HD22 LEU 24 4.907 -4.468 4.923 44 HD23 LEU 24 HD23 LEU 24 3.884 -3.035 5.037 45 H LYS 25 HN LYS 25 1.341 -6.673 4.494 46 HA LYS 25 HA LYS 25 0.017 -8.214 2.359 47 HB2 LYS 25 HB2 LYS 25 -0.192 -8.404 5.364 48 HB3 LYS 25 HB1 LYS 25 -1.248 -9.274 4.261 49 HG2 LYS 25 HG2 LYS 25 0.884 -10.249 3.259 50 HG3 LYS 25 HG1 LYS 25 1.699 -9.619 4.691 51 HD2 LYS 25 HD2 LYS 25 1.144 -11.874 5.179 52 HD3 LYS 25 HD1 LYS 25 -0.017 -10.876 6.061 53 HE2 LYS 25 HE2 LYS 25 -1.647 -11.217 4.257 54 HE3 LYS 25 HE1 LYS 25 -0.490 -12.249 3.419 55 HZ1 LYS 25 HZ1 LYS 25 -1.667 -12.772 6.095 56 HZ2 LYS 25 HZ2 LYS 25 -0.547 -13.764 5.305 57 HZ3 LYS 25 HZ3 LYS 25 -2.095 -13.544 4.648 58 H VAL 26 HN VAL 26 -1.484 -7.086 1.368 59 HA VAL 26 HA VAL 26 -3.084 -5.134 2.868 60 HB VAL 26 HB VAL 26 -3.171 -5.594 -0.116 61 HG11 VAL 26 HG11 VAL 26 -5.014 -4.318 0.808 62 HG12 VAL 26 HG12 VAL 26 -3.970 -3.267 -0.146 63 HG13 VAL 26 HG13 VAL 26 -3.886 -3.229 1.616 64 HG21 VAL 26 HG21 VAL 26 -1.327 -3.763 1.414 65 HG22 VAL 26 HG22 VAL 26 -1.595 -3.693 -0.328 66 HG23 VAL 26 HG23 VAL 26 -0.863 -5.126 0.394 67 H ILE 27 HN ILE 27 -4.655 -6.237 3.894 68 HA ILE 27 HA ILE 27 -5.984 -8.461 2.583 69 HB ILE 27 HB ILE 27 -6.472 -7.270 5.314 70 HG12 ILE 27 HG12 ILE 27 -4.220 -8.241 5.080 71 HG13 ILE 27 HG11 ILE 27 -5.224 -9.197 6.166 72 HG21 ILE 27 HG21 ILE 27 -7.630 -9.423 5.760 73 HG22 ILE 27 HG22 ILE 27 -7.491 -9.803 4.042 74 HG23 ILE 27 HG23 ILE 27 -8.444 -8.414 4.565 75 HD11 ILE 27 HD11 ILE 27 -4.586 -9.848 3.297 76 HD12 ILE 27 HD12 ILE 27 -5.627 -10.799 4.357 77 HD13 ILE 27 HD13 ILE 27 -3.911 -10.627 4.729 78 H GLY 28 HN GLY 28 -7.589 -8.126 1.239 79 HA2 GLY 28 HA2 GLY 28 -9.109 -5.689 1.208 80 HA3 GLY 28 HA1 GLY 28 -9.381 -7.103 0.195 81 H GLN 29 HN GLN 29 -11.612 -5.954 1.019 82 HA GLN 29 HA GLN 29 -12.487 -6.907 3.582 83 HB2 GLN 29 HB2 GLN 29 -13.298 -4.850 2.149 84 HB3 GLN 29 HB1 GLN 29 -14.404 -6.032 1.468 85 HG2 GLN 29 HG2 GLN 29 -15.569 -4.973 3.206 86 HG3 GLN 29 HG1 GLN 29 -15.113 -6.558 3.828 87 HE21 GLN 29 HE21 GLN 29 -13.661 -6.693 5.516 88 HE22 GLN 29 HE22 GLN 29 -13.124 -5.312 6.403 89 H ASP 30 HN ASP 30 -12.200 -8.310 0.517 90 HA ASP 30 HA ASP 30 -14.284 -10.301 1.091 91 HB2 ASP 30 HB2 ASP 30 -14.285 -10.838 -1.234 92 HB3 ASP 30 HB1 ASP 30 -14.297 -9.082 -1.115 93 H SER 31 HN SER 31 -11.448 -10.059 2.176 94 HA SER 31 HA SER 31 -9.784 -11.428 2.848 95 HB2 SER 31 HB2 SER 31 -11.611 -13.655 1.918 96 HB3 SER 31 HB1 SER 31 -10.244 -13.820 3.021 97 HG SER 31 HG SER 31 -11.544 -12.037 4.202 98 H SER 32 HN SER 32 -9.040 -10.312 0.677 99 HA SER 32 HA SER 32 -8.081 -12.374 -1.206 100 HB2 SER 32 HB2 SER 32 -7.403 -9.997 -2.332 101 HB3 SER 32 HB1 SER 32 -8.973 -10.765 -2.582 102 HG SER 32 HG SER 32 -9.890 -9.202 -1.509 103 H GLU 33 HN GLU 33 -6.001 -12.983 -0.993 104 HA GLU 33 HA GLU 33 -4.277 -11.638 0.880 105 HB2 GLU 33 HB2 GLU 33 -4.082 -14.128 -0.771 106 HB3 GLU 33 HB1 GLU 33 -2.628 -13.454 -0.047 107 HG2 GLU 33 HG2 GLU 33 -5.009 -13.877 1.678 108 HG3 GLU 33 HG1 GLU 33 -4.062 -15.276 1.182 109 H ILE 34 HN ILE 34 -3.990 -9.601 -0.114 110 HA ILE 34 HA ILE 34 -2.514 -9.580 -2.633 111 HB ILE 34 HB ILE 34 -3.550 -7.249 -1.019 112 HG12 ILE 34 HG12 ILE 34 -5.398 -8.574 -1.868 113 HG13 ILE 34 HG11 ILE 34 -5.279 -7.081 -2.790 114 HG21 ILE 34 HG21 ILE 34 -2.152 -7.453 -3.659 115 HG22 ILE 34 HG22 ILE 34 -1.813 -6.382 -2.299 116 HG23 ILE 34 HG23 ILE 34 -3.232 -6.106 -3.307 117 HD11 ILE 34 HD11 ILE 34 -4.459 -9.841 -3.640 118 HD12 ILE 34 HD12 ILE 34 -4.039 -8.381 -4.534 119 HD13 ILE 34 HD13 ILE 34 -5.733 -8.827 -4.321 120 H HIS 35 HN HIS 35 -0.403 -9.714 -2.548 121 HA HIS 35 HA HIS 35 1.023 -8.791 -0.156 122 HB2 HIS 35 HB2 HIS 35 2.087 -10.538 -2.386 123 HB3 HIS 35 HB1 HIS 35 2.818 -10.252 -0.811 124 HD2 HIS 35 HD2 HIS 35 0.128 -10.903 1.003 125 HE1 HIS 35 HE1 HIS 35 0.381 -14.668 -0.916 126 HE2 HIS 35 HE2 HIS 35 -0.633 -13.387 1.030 127 H PHE 36 HN PHE 36 1.825 -6.855 -0.279 128 HA PHE 36 HA PHE 36 2.578 -5.723 -2.881 129 HB2 PHE 36 HB2 PHE 36 1.027 -4.680 -0.936 130 HB3 PHE 36 HB1 PHE 36 2.590 -4.062 -0.418 131 HD1 PHE 36 HD1 PHE 36 3.901 -3.418 -2.935 132 HD2 PHE 36 HD2 PHE 36 -0.160 -2.938 -1.763 133 HE1 PHE 36 HE1 PHE 36 3.663 -1.550 -4.524 134 HE2 PHE 36 HE2 PHE 36 -0.407 -1.081 -3.345 135 HZ PHE 36 HZ PHE 36 1.501 -0.380 -4.730 136 H LYS 37 HN LYS 37 4.643 -6.488 -3.238 137 HA LYS 37 HA LYS 37 6.589 -6.321 -1.087 138 HB2 LYS 37 HB2 LYS 37 8.132 -7.394 -2.778 139 HB3 LYS 37 HB1 LYS 37 6.750 -8.350 -2.273 140 HG2 LYS 37 HG2 LYS 37 5.660 -7.274 -4.421 141 HG3 LYS 37 HG1 LYS 37 7.349 -7.109 -4.902 142 HD2 LYS 37 HD2 LYS 37 5.923 -9.657 -4.133 143 HD3 LYS 37 HD1 LYS 37 6.471 -9.194 -5.743 144 HE2 LYS 37 HE2 LYS 37 8.758 -9.361 -5.106 145 HE3 LYS 37 HE1 LYS 37 8.335 -9.520 -3.403 146 HZ1 LYS 37 HZ1 LYS 37 8.931 -11.643 -4.399 147 HZ2 LYS 37 HZ2 LYS 37 7.677 -11.492 -5.519 148 HZ3 LYS 37 HZ3 LYS 37 7.324 -11.651 -3.877 149 H VAL 38 HN VAL 38 7.016 -4.232 -0.746 150 HA VAL 38 HA VAL 38 7.878 -2.570 -3.003 151 HB VAL 38 HB VAL 38 7.579 -0.658 -1.559 152 HG11 VAL 38 HG11 VAL 38 5.576 -1.551 -2.638 153 HG12 VAL 38 HG12 VAL 38 5.194 -0.802 -1.087 154 HG13 VAL 38 HG13 VAL 38 5.265 -2.559 -1.227 155 HG21 VAL 38 HG21 VAL 38 8.418 -1.710 0.519 156 HG22 VAL 38 HG22 VAL 38 6.891 -2.582 0.664 157 HG23 VAL 38 HG23 VAL 38 6.913 -0.821 0.757 158 H LYS 39 HN LYS 39 9.519 -0.787 -1.926 159 HA LYS 39 HA LYS 39 11.737 -2.318 -0.737 160 HB2 LYS 39 HB2 LYS 39 11.752 -0.406 -3.049 161 HB3 LYS 39 HB1 LYS 39 13.190 -0.637 -2.081 162 HG2 LYS 39 HG2 LYS 39 13.248 -2.977 -2.667 163 HG3 LYS 39 HG1 LYS 39 11.738 -2.808 -3.569 164 HD2 LYS 39 HD2 LYS 39 12.757 -1.343 -5.150 165 HD3 LYS 39 HD1 LYS 39 14.223 -1.221 -4.179 166 HE2 LYS 39 HE2 LYS 39 14.591 -3.649 -4.540 167 HE3 LYS 39 HE1 LYS 39 13.199 -3.658 -5.621 168 HZ1 LYS 39 HZ1 LYS 39 15.400 -1.768 -6.088 169 HZ2 LYS 39 HZ2 LYS 39 14.291 -2.418 -7.196 170 HZ3 LYS 39 HZ3 LYS 39 15.551 -3.376 -6.590 171 H MET 40 HN MET 40 13.508 -0.196 -0.417 172 HA MET 40 HA MET 40 12.090 1.382 1.608 173 HB2 MET 40 HB2 MET 40 14.131 -0.012 2.189 174 HB3 MET 40 HB1 MET 40 15.073 1.143 1.257 175 HG2 MET 40 HG2 MET 40 15.071 1.542 3.703 176 HG3 MET 40 HG1 MET 40 14.527 2.914 2.741 177 HE1 MET 40 HE1 MET 40 12.401 -0.351 3.617 178 HE2 MET 40 HE2 MET 40 11.744 0.145 5.177 179 HE3 MET 40 HE3 MET 40 13.483 -0.081 4.982 180 H THR 41 HN THR 41 13.883 1.638 -1.344 181 HA THR 41 HA THR 41 14.274 4.483 -1.190 182 HB THR 41 HB THR 41 15.749 2.852 -2.489 183 HG1 THR 41 HG1 THR 41 15.883 4.432 -4.323 184 HG21 THR 41 HG21 THR 41 14.144 1.546 -3.670 185 HG22 THR 41 HG22 THR 41 15.000 2.503 -4.880 186 HG23 THR 41 HG23 THR 41 13.370 2.982 -4.367 187 H THR 42 HN THR 42 11.748 2.398 -2.149 188 HA THR 42 HA THR 42 10.585 4.131 -4.098 189 HB THR 42 HB THR 42 8.833 2.566 -4.285 190 HG1 THR 42 HG1 THR 42 8.876 2.411 -1.714 191 HG21 THR 42 HG21 THR 42 10.731 1.565 -5.202 192 HG22 THR 42 HG22 THR 42 10.094 0.310 -4.140 193 HG23 THR 42 HG23 THR 42 11.465 1.296 -3.630 194 H HIS 43 HN HIS 43 9.134 5.693 -3.870 195 HA HIS 43 HA HIS 43 8.482 6.578 -1.189 196 HB2 HIS 43 HB2 HIS 43 7.334 7.778 -3.701 197 HB3 HIS 43 HB1 HIS 43 7.661 8.560 -2.167 198 HD2 HIS 43 HD2 HIS 43 10.971 7.129 -2.659 199 HE1 HIS 43 HE1 HIS 43 10.939 10.408 -5.295 200 HE2 HIS 43 HE2 HIS 43 12.372 8.770 -4.028 201 H LEU 44 HN LEU 44 6.404 6.589 -0.283 202 HA LEU 44 HA LEU 44 4.690 4.497 -1.134 203 HB2 LEU 44 HB2 LEU 44 4.645 6.524 1.026 204 HB3 LEU 44 HB1 LEU 44 3.102 5.828 0.565 205 HG LEU 44 HG LEU 44 5.459 4.088 1.251 206 HD11 LEU 44 HD11 LEU 44 5.223 5.389 3.204 207 HD12 LEU 44 HD12 LEU 44 4.346 3.888 3.514 208 HD13 LEU 44 HD13 LEU 44 3.462 5.355 3.101 209 HD21 LEU 44 HD21 LEU 44 2.474 3.650 1.277 210 HD22 LEU 44 HD22 LEU 44 3.691 2.458 1.735 211 HD23 LEU 44 HD23 LEU 44 3.606 3.038 0.072 212 H LYS 45 HN LYS 45 5.004 7.711 -2.108 213 HA LYS 45 HA LYS 45 2.390 8.406 -2.837 214 HB2 LYS 45 HB2 LYS 45 4.118 10.078 -2.831 215 HB3 LYS 45 HB1 LYS 45 5.080 9.170 -3.987 216 HG2 LYS 45 HG2 LYS 45 4.148 10.931 -5.207 217 HG3 LYS 45 HG1 LYS 45 3.171 9.522 -5.624 218 HD2 LYS 45 HD2 LYS 45 1.543 10.254 -3.859 219 HD3 LYS 45 HD1 LYS 45 2.476 11.745 -3.713 220 HE2 LYS 45 HE2 LYS 45 2.093 12.168 -6.122 221 HE3 LYS 45 HE1 LYS 45 1.070 10.733 -6.180 222 HZ1 LYS 45 HZ1 LYS 45 0.560 13.323 -4.890 223 HZ2 LYS 45 HZ2 LYS 45 -0.171 11.935 -4.255 224 HZ3 LYS 45 HZ3 LYS 45 -0.467 12.387 -5.859 225 H LYS 46 HN LYS 46 4.984 6.877 -4.734 226 HA LYS 46 HA LYS 46 3.307 6.479 -7.007 227 HB2 LYS 46 HB2 LYS 46 5.895 6.673 -6.904 228 HB3 LYS 46 HB1 LYS 46 5.841 4.949 -6.552 229 HG2 LYS 46 HG2 LYS 46 4.722 4.505 -8.626 230 HG3 LYS 46 HG1 LYS 46 4.566 6.229 -8.956 231 HD2 LYS 46 HD2 LYS 46 7.110 6.299 -8.873 232 HD3 LYS 46 HD1 LYS 46 7.046 4.537 -8.955 233 HE2 LYS 46 HE2 LYS 46 7.329 5.452 -11.175 234 HE3 LYS 46 HE1 LYS 46 5.738 4.709 -11.036 235 HZ1 LYS 46 HZ1 LYS 46 5.622 6.842 -12.155 236 HZ2 LYS 46 HZ2 LYS 46 6.316 7.613 -10.820 237 HZ3 LYS 46 HZ3 LYS 46 4.785 6.904 -10.688 238 H LEU 47 HN LEU 47 4.137 4.638 -4.190 239 HA LEU 47 HA LEU 47 3.355 2.082 -5.080 240 HB2 LEU 47 HB2 LEU 47 3.757 3.399 -2.444 241 HB3 LEU 47 HB1 LEU 47 2.837 1.911 -2.462 242 HG LEU 47 HG LEU 47 4.662 0.614 -2.976 243 HD11 LEU 47 HD11 LEU 47 6.771 1.559 -3.980 244 HD12 LEU 47 HD12 LEU 47 5.870 3.048 -4.267 245 HD13 LEU 47 HD13 LEU 47 5.361 1.545 -5.035 246 HD21 LEU 47 HD21 LEU 47 5.029 1.699 -0.809 247 HD22 LEU 47 HD22 LEU 47 5.928 2.986 -1.613 248 HD23 LEU 47 HD23 LEU 47 6.551 1.338 -1.625 249 H LYS 48 HN LYS 48 1.584 4.732 -3.591 250 HA LYS 48 HA LYS 48 -0.849 3.317 -3.250 251 HB2 LYS 48 HB2 LYS 48 -0.196 6.259 -3.272 252 HB3 LYS 48 HB1 LYS 48 -1.815 5.638 -2.971 253 HG2 LYS 48 HG2 LYS 48 -1.079 4.492 -1.000 254 HG3 LYS 48 HG1 LYS 48 0.604 4.892 -1.345 255 HD2 LYS 48 HD2 LYS 48 -0.198 6.375 0.364 256 HD3 LYS 48 HD1 LYS 48 0.013 7.302 -1.124 257 HE2 LYS 48 HE2 LYS 48 -2.395 7.104 -1.566 258 HE3 LYS 48 HE1 LYS 48 -2.588 6.207 -0.060 259 HZ1 LYS 48 HZ1 LYS 48 -3.167 8.554 0.172 260 HZ2 LYS 48 HZ2 LYS 48 -1.592 8.999 -0.272 261 HZ3 LYS 48 HZ3 LYS 48 -1.862 8.136 1.167 262 H GLU 49 HN GLU 49 0.270 5.583 -5.796 263 HA GLU 49 HA GLU 49 -2.195 5.610 -7.180 264 HB2 GLU 49 HB2 GLU 49 -0.919 6.484 -9.112 265 HB3 GLU 49 HB1 GLU 49 -0.582 7.347 -7.619 266 HG2 GLU 49 HG2 GLU 49 1.559 6.616 -7.518 267 HG3 GLU 49 HG1 GLU 49 1.207 5.101 -8.343 268 H SER 50 HN SER 50 0.551 3.440 -7.352 269 HA SER 50 HA SER 50 -0.238 2.118 -9.729 270 HB2 SER 50 HB2 SER 50 1.469 1.059 -7.467 271 HB3 SER 50 HB1 SER 50 1.405 0.430 -9.114 272 HG SER 50 HG SER 50 2.508 2.844 -8.164 273 H TYR 51 HN TYR 51 -0.970 1.615 -6.319 274 HA TYR 51 HA TYR 51 -2.242 -0.900 -6.618 275 HB2 TYR 51 HB2 TYR 51 -1.483 0.122 -4.434 276 HB3 TYR 51 HB1 TYR 51 -2.875 1.192 -4.527 277 HD1 TYR 51 HD1 TYR 51 -1.902 -2.393 -4.363 278 HD2 TYR 51 HD2 TYR 51 -4.992 0.479 -3.766 279 HE1 TYR 51 HE1 TYR 51 -3.289 -4.111 -3.289 280 HE2 TYR 51 HE2 TYR 51 -6.384 -1.240 -2.691 281 HH TYR 51 HH TYR 51 -6.587 -3.716 -2.686 282 H CYS 52 HN CYS 52 -3.325 2.422 -6.861 283 HA CYS 52 HA CYS 52 -6.091 1.958 -6.997 284 HB2 CYS 52 HB2 CYS 52 -4.529 4.173 -8.341 285 HB3 CYS 52 HB1 CYS 52 -6.243 4.195 -7.940 286 HG CYS 52 HG CYS 52 -3.726 4.071 -5.617 287 H GLN 53 HN GLN 53 -3.614 2.216 -9.528 288 HA GLN 53 HA GLN 53 -5.394 1.813 -11.690 289 HB2 GLN 53 HB2 GLN 53 -2.423 1.689 -11.361 290 HB3 GLN 53 HB1 GLN 53 -3.151 1.090 -12.845 291 HG2 GLN 53 HG2 GLN 53 -4.231 3.280 -13.168 292 HG3 GLN 53 HG1 GLN 53 -3.424 3.868 -11.716 293 HE21 GLN 53 HE21 GLN 53 -3.292 4.640 -14.592 294 HE22 GLN 53 HE22 GLN 53 -1.610 4.622 -14.978 295 H ARG 54 HN ARG 54 -3.644 -0.344 -9.581 296 HA ARG 54 HA ARG 54 -3.952 -2.710 -11.095 297 HB2 ARG 54 HB2 ARG 54 -2.374 -2.425 -9.175 298 HB3 ARG 54 HB1 ARG 54 -3.755 -2.449 -8.089 299 HG2 ARG 54 HG2 ARG 54 -3.063 -4.624 -7.949 300 HG3 ARG 54 HG1 ARG 54 -4.248 -4.744 -9.249 301 HD2 ARG 54 HD2 ARG 54 -2.511 -4.685 -10.909 302 HD3 ARG 54 HD1 ARG 54 -1.289 -4.379 -9.676 303 HE ARG 54 HE ARG 54 -2.736 -6.812 -9.248 304 HH11 ARG 54 HH11 ARG 54 -0.082 -5.368 -11.006 305 HH12 ARG 54 HH12 ARG 54 0.782 -6.861 -11.188 306 HH21 ARG 54 HH21 ARG 54 -1.592 -8.788 -9.466 307 HH22 ARG 54 HH22 ARG 54 -0.079 -8.810 -10.320 308 H GLN 55 HN GLN 55 -5.941 -1.150 -8.631 309 HA GLN 55 HA GLN 55 -7.901 -3.261 -8.644 310 HB2 GLN 55 HB2 GLN 55 -7.840 -0.547 -7.330 311 HB3 GLN 55 HB1 GLN 55 -9.174 -1.677 -7.157 312 HG2 GLN 55 HG2 GLN 55 -6.344 -1.993 -6.207 313 HG3 GLN 55 HG1 GLN 55 -7.818 -1.919 -5.241 314 HE21 GLN 55 HE21 GLN 55 -9.237 -3.720 -5.267 315 HE22 GLN 55 HE22 GLN 55 -8.664 -5.294 -5.693 316 H GLY 56 HN GLY 56 -7.357 -0.357 -10.405 317 HA2 GLY 56 HA2 GLY 56 -8.472 0.242 -12.376 318 HA3 GLY 56 HA1 GLY 56 -9.778 -0.850 -11.942 319 H VAL 57 HN VAL 57 -8.459 1.568 -9.785 320 HA VAL 57 HA VAL 57 -10.881 3.207 -10.141 321 HB VAL 57 HB VAL 57 -10.915 3.579 -7.663 322 HG11 VAL 57 HG11 VAL 57 -11.965 1.412 -7.100 323 HG12 VAL 57 HG12 VAL 57 -11.344 0.755 -8.614 324 HG13 VAL 57 HG13 VAL 57 -12.516 2.072 -8.641 325 HG21 VAL 57 HG21 VAL 57 -8.644 2.938 -7.123 326 HG22 VAL 57 HG22 VAL 57 -8.958 1.283 -7.643 327 HG23 VAL 57 HG23 VAL 57 -9.779 1.931 -6.223 328 HA PRO 58 HA PRO 58 -8.102 6.659 -10.214 329 HB2 PRO 58 HB2 PRO 58 -9.512 8.540 -8.800 330 HB3 PRO 58 HB1 PRO 58 -9.871 8.107 -10.479 331 HG2 PRO 58 HG2 PRO 58 -11.207 7.183 -7.975 332 HG3 PRO 58 HG1 PRO 58 -11.925 7.641 -9.532 333 HD2 PRO 58 HD2 PRO 58 -11.613 5.069 -8.841 334 HD3 PRO 58 HD1 PRO 58 -11.424 5.614 -10.519 335 H MET 59 HN MET 59 -6.710 7.968 -8.853 336 HA MET 59 HA MET 59 -6.016 6.607 -6.423 337 HB2 MET 59 HB2 MET 59 -4.372 7.658 -8.041 338 HB3 MET 59 HB1 MET 59 -4.875 9.220 -7.414 339 HG2 MET 59 HG2 MET 59 -4.199 8.437 -5.146 340 HG3 MET 59 HG1 MET 59 -3.538 6.992 -5.907 341 HE1 MET 59 HE1 MET 59 -1.884 8.874 -4.018 342 HE2 MET 59 HE2 MET 59 -0.363 9.064 -4.889 343 HE3 MET 59 HE3 MET 59 -1.141 7.484 -4.808 344 H ASN 60 HN ASN 60 -5.888 7.526 -4.344 345 HA ASN 60 HA ASN 60 -6.448 8.796 -2.551 346 HB2 ASN 60 HB2 ASN 60 -6.108 10.766 -4.176 347 HB3 ASN 60 HB1 ASN 60 -7.860 10.799 -4.299 348 HD21 ASN 60 HD21 ASN 60 -7.839 12.893 -3.410 349 HD22 ASN 60 HD22 ASN 60 -7.626 13.144 -1.712 350 H SER 61 HN SER 61 -8.459 7.179 -4.503 351 HA SER 61 HA SER 61 -10.956 7.884 -3.204 352 HB2 SER 61 HB2 SER 61 -11.928 6.116 -4.634 353 HB3 SER 61 HB1 SER 61 -10.992 7.270 -5.582 354 HG SER 61 HG SER 61 -9.672 5.724 -6.131 355 H LEU 62 HN LEU 62 -8.363 5.703 -2.821 356 HA LEU 62 HA LEU 62 -9.868 4.168 -0.815 357 HB2 LEU 62 HB2 LEU 62 -7.409 3.324 -2.356 358 HB3 LEU 62 HB1 LEU 62 -8.250 2.357 -1.162 359 HG LEU 62 HG LEU 62 -9.421 3.243 -3.798 360 HD11 LEU 62 HD11 LEU 62 -9.220 0.846 -4.390 361 HD12 LEU 62 HD12 LEU 62 -8.284 0.595 -2.916 362 HD13 LEU 62 HD13 LEU 62 -7.664 1.651 -4.185 363 HD21 LEU 62 HD21 LEU 62 -11.145 2.955 -2.139 364 HD22 LEU 62 HD22 LEU 62 -10.466 1.404 -1.646 365 HD23 LEU 62 HD23 LEU 62 -11.178 1.586 -3.249 366 H ARG 63 HN ARG 63 -9.196 4.308 1.227 367 HA ARG 63 HA ARG 63 -6.740 5.821 1.751 368 HB2 ARG 63 HB2 ARG 63 -7.643 6.146 4.026 369 HB3 ARG 63 HB1 ARG 63 -8.712 6.773 2.781 370 HG2 ARG 63 HG2 ARG 63 -10.151 4.826 3.001 371 HG3 ARG 63 HG1 ARG 63 -9.060 4.137 4.206 372 HD2 ARG 63 HD2 ARG 63 -9.471 6.079 5.658 373 HD3 ARG 63 HD1 ARG 63 -10.580 6.730 4.455 374 HE ARG 63 HE ARG 63 -11.036 4.248 5.990 375 HH11 ARG 63 HH11 ARG 63 -12.243 7.050 4.242 376 HH12 ARG 63 HH12 ARG 63 -13.910 6.704 4.609 377 HH21 ARG 63 HH21 ARG 63 -14.467 4.880 5.880 378 HH22 ARG 63 HH22 ARG 63 -13.227 3.827 6.484 379 H PHE 64 HN PHE 64 -5.042 4.948 2.737 380 HA PHE 64 HA PHE 64 -5.168 2.093 3.375 381 HB2 PHE 64 HB2 PHE 64 -2.861 3.962 2.826 382 HB3 PHE 64 HB1 PHE 64 -2.636 2.316 3.410 383 HD1 PHE 64 HD1 PHE 64 -3.510 4.405 0.572 384 HD2 PHE 64 HD2 PHE 64 -3.193 0.413 1.992 385 HE1 PHE 64 HE1 PHE 64 -3.597 3.581 -1.745 386 HE2 PHE 64 HE2 PHE 64 -3.278 -0.425 -0.319 387 HZ PHE 64 HZ PHE 64 -3.480 1.160 -2.193 388 H LEU 65 HN LEU 65 -5.310 1.476 5.410 389 HA LEU 65 HA LEU 65 -4.582 3.406 7.502 390 HB2 LEU 65 HB2 LEU 65 -6.469 1.055 7.552 391 HB3 LEU 65 HB1 LEU 65 -6.024 1.981 8.974 392 HG LEU 65 HG LEU 65 -7.495 3.048 6.560 393 HD11 LEU 65 HD11 LEU 65 -8.838 1.571 7.970 394 HD12 LEU 65 HD12 LEU 65 -9.382 3.245 8.070 395 HD13 LEU 65 HD13 LEU 65 -8.427 2.548 9.379 396 HD21 LEU 65 HD21 LEU 65 -7.788 5.067 8.006 397 HD22 LEU 65 HD22 LEU 65 -6.138 4.803 7.446 398 HD23 LEU 65 HD23 LEU 65 -6.585 4.388 9.102 399 H PHE 66 HN PHE 66 -2.689 3.084 8.344 400 HA PHE 66 HA PHE 66 -1.775 0.326 8.859 401 HB2 PHE 66 HB2 PHE 66 -0.480 1.598 7.078 402 HB3 PHE 66 HB1 PHE 66 -0.007 2.729 8.339 403 HD1 PHE 66 HD1 PHE 66 0.119 -0.868 7.436 404 HD2 PHE 66 HD2 PHE 66 1.885 2.329 9.612 405 HE1 PHE 66 HE1 PHE 66 2.024 -2.317 7.994 406 HE2 PHE 66 HE2 PHE 66 3.798 0.886 10.177 407 HZ PHE 66 HZ PHE 66 3.868 -1.442 9.366 408 H GLU 67 HN GLU 67 -1.916 -0.043 10.975 409 HA GLU 67 HA GLU 67 -1.837 0.213 13.235 410 HB2 GLU 67 HB2 GLU 67 0.114 2.348 12.397 411 HB3 GLU 67 HB1 GLU 67 -0.267 2.066 14.088 412 HG2 GLU 67 HG2 GLU 67 0.723 -0.105 12.270 413 HG3 GLU 67 HG1 GLU 67 1.802 0.938 13.198 414 H GLY 68 HN GLY 68 -3.811 1.615 11.570 415 HA2 GLY 68 HA2 GLY 68 -5.722 2.791 12.209 416 HA3 GLY 68 HA1 GLY 68 -4.876 3.345 13.648 417 H GLN 69 HN GLN 69 -2.642 3.978 11.536 418 HA GLN 69 HA GLN 69 -3.471 6.752 11.182 419 HB2 GLN 69 HB2 GLN 69 -0.797 5.600 10.417 420 HB3 GLN 69 HB1 GLN 69 -1.187 7.252 10.872 421 HG2 GLN 69 HG2 GLN 69 -1.520 5.048 12.850 422 HG3 GLN 69 HG1 GLN 69 0.083 5.704 12.518 423 HE21 GLN 69 HE21 GLN 69 0.241 6.478 14.624 424 HE22 GLN 69 HE22 GLN 69 -0.617 7.890 15.143 425 H ARG 70 HN ARG 70 -3.639 7.742 9.167 426 HA ARG 70 HA ARG 70 -3.966 5.896 6.946 427 HB2 ARG 70 HB2 ARG 70 -5.003 7.739 5.746 428 HB3 ARG 70 HB1 ARG 70 -5.728 7.568 7.336 429 HG2 ARG 70 HG2 ARG 70 -4.398 9.455 8.142 430 HG3 ARG 70 HG1 ARG 70 -3.681 9.626 6.538 431 HD2 ARG 70 HD2 ARG 70 -6.578 9.968 7.289 432 HD3 ARG 70 HD1 ARG 70 -5.463 11.227 6.759 433 HE ARG 70 HE ARG 70 -5.415 9.655 4.642 434 HH11 ARG 70 HH11 ARG 70 -9.275 10.601 5.234 435 HH12 ARG 70 HH12 ARG 70 -8.162 10.684 6.560 436 HH21 ARG 70 HH21 ARG 70 -8.574 9.936 3.159 437 HH22 ARG 70 HH22 ARG 70 -6.904 9.512 2.904 438 H ILE 71 HN ILE 71 -2.558 5.626 5.373 439 HA ILE 71 HA ILE 71 0.028 6.761 5.540 440 HB ILE 71 HB ILE 71 -1.246 5.162 3.322 441 HG12 ILE 71 HG12 ILE 71 -1.098 3.940 5.430 442 HG13 ILE 71 HG11 ILE 71 0.062 3.295 4.273 443 HG21 ILE 71 HG21 ILE 71 0.597 6.403 2.404 444 HG22 ILE 71 HG22 ILE 71 1.079 4.715 2.591 445 HG23 ILE 71 HG23 ILE 71 1.635 5.927 3.746 446 HD11 ILE 71 HD11 ILE 71 0.637 5.093 6.614 447 HD12 ILE 71 HD12 ILE 71 1.823 4.652 5.383 448 HD13 ILE 71 HD13 ILE 71 1.109 3.407 6.406 449 H ALA 72 HN ALA 72 0.703 8.647 4.897 450 HA ALA 72 HA ALA 72 -0.903 10.269 3.100 451 HB1 ALA 72 HB1 ALA 72 1.665 10.913 4.546 452 HB2 ALA 72 HB2 ALA 72 0.037 11.277 5.121 453 HB3 ALA 72 HB3 ALA 72 0.654 12.062 3.667 454 H ASP 73 HN ASP 73 0.284 11.531 1.376 455 HA ASP 73 HA ASP 73 1.552 9.644 -0.380 456 HB2 ASP 73 HB2 ASP 73 0.700 12.507 -0.623 457 HB3 ASP 73 HB1 ASP 73 1.712 11.775 -1.859 458 H ASN 74 HN ASN 74 2.666 11.726 1.990 459 HA ASN 74 HA ASN 74 5.336 11.900 0.767 460 HB2 ASN 74 HB2 ASN 74 5.777 13.664 2.477 461 HB3 ASN 74 HB1 ASN 74 4.481 14.080 1.362 462 HD21 ASN 74 HD21 ASN 74 5.352 13.480 4.624 463 HD22 ASN 74 HD22 ASN 74 3.798 13.792 5.321 464 H HIS 75 HN HIS 75 4.016 9.613 2.232 465 HA HIS 75 HA HIS 75 5.736 9.385 4.583 466 HB2 HIS 75 HB2 HIS 75 3.259 8.023 3.642 467 HB3 HIS 75 HB1 HIS 75 4.362 7.101 4.658 468 HD2 HIS 75 HD2 HIS 75 4.984 10.075 6.390 469 HE1 HIS 75 HE1 HIS 75 1.084 9.120 7.716 470 HE2 HIS 75 HE2 HIS 75 3.160 10.491 8.191 471 H THR 76 HN THR 76 6.995 7.482 4.943 472 HA THR 76 HA THR 76 7.755 6.021 2.504 473 HB THR 76 HB THR 76 10.125 6.022 3.691 474 HG1 THR 76 HG1 THR 76 8.708 8.017 4.988 475 HG21 THR 76 HG21 THR 76 9.716 6.841 1.434 476 HG22 THR 76 HG22 THR 76 10.767 7.958 2.306 477 HG23 THR 76 HG23 THR 76 9.062 8.346 2.081 478 HA PRO 77 HA PRO 77 7.205 2.335 4.874 479 HB2 PRO 77 HB2 PRO 77 9.699 1.257 3.715 480 HB3 PRO 77 HB1 PRO 77 8.041 0.654 3.588 481 HG2 PRO 77 HG2 PRO 77 9.232 1.805 1.505 482 HG3 PRO 77 HG1 PRO 77 7.506 2.049 1.836 483 HD2 PRO 77 HD2 PRO 77 9.802 3.881 2.369 484 HD3 PRO 77 HD1 PRO 77 8.178 4.255 1.760 485 H LYS 78 HN LYS 78 10.207 4.039 5.095 486 HA LYS 78 HA LYS 78 11.397 2.444 7.124 487 HB2 LYS 78 HB2 LYS 78 12.749 3.899 5.711 488 HB3 LYS 78 HB1 LYS 78 11.910 5.313 6.327 489 HG2 LYS 78 HG2 LYS 78 14.146 5.020 7.306 490 HG3 LYS 78 HG1 LYS 78 12.864 4.990 8.516 491 HD2 LYS 78 HD2 LYS 78 14.426 3.251 9.040 492 HD3 LYS 78 HD1 LYS 78 12.950 2.495 8.444 493 HE2 LYS 78 HE2 LYS 78 13.991 2.234 6.237 494 HE3 LYS 78 HE1 LYS 78 15.467 2.978 6.852 495 HZ1 LYS 78 HZ1 LYS 78 14.272 0.394 7.691 496 HZ2 LYS 78 HZ2 LYS 78 15.550 1.137 8.510 497 HZ3 LYS 78 HZ3 LYS 78 15.754 0.635 6.911 498 H GLU 79 HN GLU 79 9.266 5.262 7.178 499 HA GLU 79 HA GLU 79 9.520 5.492 10.058 500 HB2 GLU 79 HB2 GLU 79 8.001 7.376 9.871 501 HB3 GLU 79 HB1 GLU 79 9.300 7.522 8.696 502 HG2 GLU 79 HG2 GLU 79 7.656 6.464 7.042 503 HG3 GLU 79 HG1 GLU 79 6.421 6.857 8.236 504 H LEU 80 HN LEU 80 7.466 5.637 11.354 505 HA LEU 80 HA LEU 80 5.558 4.758 12.200 506 HB2 LEU 80 HB2 LEU 80 5.161 3.937 9.342 507 HB3 LEU 80 HB1 LEU 80 4.071 3.384 10.598 508 HG LEU 80 HG LEU 80 4.621 6.312 10.198 509 HD11 LEU 80 HD11 LEU 80 3.864 5.540 8.054 510 HD12 LEU 80 HD12 LEU 80 2.536 6.373 8.860 511 HD13 LEU 80 HD13 LEU 80 2.562 4.612 8.804 512 HD21 LEU 80 HD21 LEU 80 2.424 6.531 11.263 513 HD22 LEU 80 HD22 LEU 80 3.566 5.658 12.288 514 HD23 LEU 80 HD23 LEU 80 2.323 4.775 11.403 515 H GLY 81 HN GLY 81 7.364 2.521 10.128 516 HA2 GLY 81 HA2 GLY 81 8.567 0.718 11.239 517 HA3 GLY 81 HA1 GLY 81 7.197 0.561 12.327 518 H MET 82 HN MET 82 8.141 0.224 8.929 519 HA MET 82 HA MET 82 5.999 -1.759 8.588 520 HB2 MET 82 HB2 MET 82 7.552 -0.101 6.610 521 HB3 MET 82 HB1 MET 82 6.619 -1.502 6.113 522 HG2 MET 82 HG2 MET 82 4.660 -0.342 7.316 523 HG3 MET 82 HG1 MET 82 5.663 1.102 7.221 524 HE1 MET 82 HE1 MET 82 2.770 0.926 5.995 525 HE2 MET 82 HE2 MET 82 2.986 1.651 4.400 526 HE3 MET 82 HE3 MET 82 3.768 2.369 5.807 527 H GLU 83 HN GLU 83 6.595 -3.805 8.800 528 HA GLU 83 HA GLU 83 9.340 -4.543 8.005 529 HB2 GLU 83 HB2 GLU 83 7.712 -5.238 10.383 530 HB3 GLU 83 HB1 GLU 83 8.660 -6.540 9.679 531 HG2 GLU 83 HG2 GLU 83 9.671 -3.916 10.741 532 HG3 GLU 83 HG1 GLU 83 9.950 -5.525 11.403 533 H GLU 84 HN GLU 84 9.296 -7.154 7.895 534 HA GLU 84 HA GLU 84 7.840 -7.759 5.534 535 HB2 GLU 84 HB2 GLU 84 9.990 -8.788 5.930 536 HB3 GLU 84 HB1 GLU 84 9.430 -9.490 7.439 537 HG2 GLU 84 HG2 GLU 84 9.556 -11.190 5.749 538 HG3 GLU 84 HG1 GLU 84 7.869 -10.908 6.177 539 H GLU 85 HN GLU 85 6.002 -8.938 5.234 540 HA GLU 85 HA GLU 85 4.006 -9.929 5.663 541 HB2 GLU 85 HB2 GLU 85 5.571 -10.801 8.063 542 HB3 GLU 85 HB1 GLU 85 3.852 -11.150 7.970 543 HG2 GLU 85 HG2 GLU 85 5.794 -11.927 5.819 544 HG3 GLU 85 HG1 GLU 85 5.412 -12.961 7.194 545 H ASP 86 HN ASP 86 4.683 -7.120 6.641 546 HA ASP 86 HA ASP 86 3.026 -6.707 8.946 547 HB2 ASP 86 HB2 ASP 86 4.874 -5.156 7.514 548 HB3 ASP 86 HB1 ASP 86 3.332 -4.327 7.325 549 H VAL 87 HN VAL 87 0.889 -6.356 9.039 550 HA VAL 87 HA VAL 87 -0.598 -6.584 6.541 551 HB VAL 87 HB VAL 87 -1.727 -6.610 9.337 552 HG11 VAL 87 HG11 VAL 87 -3.341 -6.232 7.536 553 HG12 VAL 87 HG12 VAL 87 -3.586 -7.801 8.301 554 HG13 VAL 87 HG13 VAL 87 -2.789 -7.702 6.731 555 HG21 VAL 87 HG21 VAL 87 -0.699 -8.912 7.683 556 HG22 VAL 87 HG22 VAL 87 -1.685 -9.087 9.134 557 HG23 VAL 87 HG23 VAL 87 -0.080 -8.362 9.240 558 H ILE 88 HN ILE 88 -1.826 -5.048 5.681 559 HA ILE 88 HA ILE 88 -2.393 -2.622 7.231 560 HB ILE 88 HB ILE 88 -0.464 -2.138 5.776 561 HG12 ILE 88 HG12 ILE 88 -2.941 -0.779 4.706 562 HG13 ILE 88 HG11 ILE 88 -2.241 -0.418 6.279 563 HG21 ILE 88 HG21 ILE 88 -2.308 -2.863 3.501 564 HG22 ILE 88 HG22 ILE 88 -0.873 -3.754 4.011 565 HG23 ILE 88 HG23 ILE 88 -0.711 -2.133 3.336 566 HD11 ILE 88 HD11 ILE 88 -1.508 1.239 4.744 567 HD12 ILE 88 HD12 ILE 88 -0.996 0.018 3.581 568 HD13 ILE 88 HD13 ILE 88 -0.129 0.201 5.105 569 H GLU 89 HN GLU 89 -4.358 -1.589 6.648 570 HA GLU 89 HA GLU 89 -6.120 -3.292 5.013 571 HB2 GLU 89 HB2 GLU 89 -6.689 -1.560 7.411 572 HB3 GLU 89 HB1 GLU 89 -7.967 -2.153 6.357 573 HG2 GLU 89 HG2 GLU 89 -7.570 -4.384 6.939 574 HG3 GLU 89 HG1 GLU 89 -5.996 -4.008 7.639 575 H VAL 90 HN VAL 90 -7.561 -2.339 3.589 576 HA VAL 90 HA VAL 90 -7.112 0.506 3.007 577 HB VAL 90 HB VAL 90 -5.902 -0.751 1.327 578 HG11 VAL 90 HG11 VAL 90 -8.493 -2.194 0.800 579 HG12 VAL 90 HG12 VAL 90 -7.025 -2.885 1.489 580 HG13 VAL 90 HG13 VAL 90 -7.033 -2.326 -0.184 581 HG21 VAL 90 HG21 VAL 90 -6.974 0.078 -0.699 582 HG22 VAL 90 HG22 VAL 90 -7.066 1.272 0.596 583 HG23 VAL 90 HG23 VAL 90 -8.483 0.307 0.187 584 H TYR 91 HN TYR 91 -8.913 1.685 2.834 585 HA TYR 91 HA TYR 91 -11.471 0.284 2.423 586 HB2 TYR 91 HB2 TYR 91 -10.845 2.382 4.507 587 HB3 TYR 91 HB1 TYR 91 -12.484 1.907 4.071 588 HD1 TYR 91 HD1 TYR 91 -13.371 -0.249 4.740 589 HD2 TYR 91 HD2 TYR 91 -9.388 0.860 5.747 590 HE1 TYR 91 HE1 TYR 91 -13.266 -2.107 6.340 591 HE2 TYR 91 HE2 TYR 91 -9.278 -0.995 7.358 592 HH TYR 91 HH TYR 91 -10.346 -2.697 8.294 593 H GLN 92 HN GLN 92 -13.192 1.668 1.600 594 HA GLN 92 HA GLN 92 -12.153 3.503 -0.364 595 HB2 GLN 92 HB2 GLN 92 -13.962 1.947 -0.946 596 HB3 GLN 92 HB1 GLN 92 -15.003 2.694 0.258 597 HG2 GLN 92 HG2 GLN 92 -14.838 4.826 -1.011 598 HG3 GLN 92 HG1 GLN 92 -13.931 3.966 -2.252 599 HE21 GLN 92 HE21 GLN 92 -17.033 4.359 -0.718 600 HE22 GLN 92 HE22 GLN 92 -17.964 3.588 -1.956 601 H GLU 93 HN GLU 93 -12.303 5.677 -0.379 602 HA GLU 93 HA GLU 93 -12.892 7.001 2.104 603 HB2 GLU 93 HB2 GLU 93 -11.842 7.828 -0.572 604 HB3 GLU 93 HB1 GLU 93 -12.445 9.062 0.524 605 HG2 GLU 93 HG2 GLU 93 -10.384 7.051 1.362 606 HG3 GLU 93 HG1 GLU 93 -9.958 8.573 0.579 607 H GLN 94 HN GLN 94 -14.349 8.883 2.219 608 HA GLN 94 HA GLN 94 -16.959 8.189 1.382 609 HB2 GLN 94 HB2 GLN 94 -16.276 9.576 3.419 610 HB3 GLN 94 HB1 GLN 94 -16.097 10.928 2.312 611 HG2 GLN 94 HG2 GLN 94 -18.453 10.689 1.670 612 HG3 GLN 94 HG1 GLN 94 -18.621 9.370 2.828 613 HE21 GLN 94 HE21 GLN 94 -20.150 10.417 4.058 614 HE22 GLN 94 HE22 GLN 94 -19.780 11.784 5.050 615 H THR 95 HN THR 95 -14.506 10.321 0.111 616 HA THR 95 HA THR 95 -16.092 11.768 -1.708 617 HB THR 95 HB THR 95 -13.839 12.039 -2.933 618 HG1 THR 95 HG1 THR 95 -12.052 11.444 -1.458 619 HG21 THR 95 HG21 THR 95 -14.700 13.728 -1.417 620 HG22 THR 95 HG22 THR 95 -12.968 13.530 -1.154 621 HG23 THR 95 HG23 THR 95 -14.118 12.814 -0.026 622 H GLY 96 HN GLY 96 -13.885 9.030 -2.300 623 HA2 GLY 96 HA2 GLY 96 -14.242 7.180 -3.669 624 HA3 GLY 96 HA1 GLY 96 -15.762 7.889 -4.192 625 H GLY 97 HN GLY 97 -13.239 10.109 -4.369 626 HA2 GLY 97 HA2 GLY 97 -12.692 9.396 -7.175 627 HA3 GLY 97 HA1 GLY 97 -13.192 11.027 -6.754 628 H1 ASP 195 HN ASP 195 -7.538 -20.387 -5.563 629 HA ASP 195 HA ASP 195 -8.776 -19.273 -3.538 630 HB2 ASP 195 HB2 ASP 195 -6.784 -20.545 -2.235 631 HB3 ASP 195 HB1 ASP 195 -6.024 -18.977 -2.491 632 H THR 196 HN THR 196 -7.420 -16.970 -2.782 633 HA THR 196 HA THR 196 -6.526 -15.957 -5.400 634 HB THR 196 HB THR 196 -7.887 -14.251 -3.340 635 HG1 THR 196 HG1 THR 196 -9.167 -15.496 -5.563 636 HG21 THR 196 HG21 THR 196 -8.358 -12.828 -5.268 637 HG22 THR 196 HG22 THR 196 -7.561 -13.981 -6.335 638 HG23 THR 196 HG23 THR 196 -6.624 -13.110 -5.120 639 H ALA 197 HN ALA 197 -4.507 -15.423 -5.434 640 HA ALA 197 HA ALA 197 -3.326 -14.015 -3.137 641 HB1 ALA 197 HB1 ALA 197 -1.139 -15.092 -3.787 642 HB2 ALA 197 HB2 ALA 197 -2.070 -16.183 -4.814 643 HB3 ALA 197 HB3 ALA 197 -2.329 -16.181 -3.072 644 H GLY 198 HN GLY 198 -2.558 -12.056 -3.712 645 HA2 GLY 198 HA2 GLY 198 -1.948 -11.662 -6.580 646 HA3 GLY 198 HA1 GLY 198 -2.785 -10.446 -5.620 647 H CYS 199 HN CYS 199 0.081 -11.001 -6.975 648 HA CYS 199 HA CYS 199 1.484 -9.639 -4.775 649 HB2 CYS 199 HB2 CYS 199 2.739 -11.511 -6.796 650 HB3 CYS 199 HB1 CYS 199 3.564 -10.710 -5.463 651 HG CYS 199 HG CYS 199 1.628 -12.113 -3.643 652 H ILE 200 HN ILE 200 2.189 -7.669 -5.250 653 HA ILE 200 HA ILE 200 2.473 -6.956 -8.093 654 HB ILE 200 HB ILE 200 0.506 -5.875 -7.486 655 HG12 ILE 200 HG12 ILE 200 2.753 -3.904 -7.025 656 HG13 ILE 200 HG11 ILE 200 1.990 -4.301 -8.563 657 HG21 ILE 200 HG21 ILE 200 0.573 -6.333 -5.100 658 HG22 ILE 200 HG22 ILE 200 0.150 -4.649 -5.407 659 HG23 ILE 200 HG23 ILE 200 1.780 -5.066 -4.876 660 HD11 ILE 200 HD11 ILE 200 0.723 -2.877 -6.230 661 HD12 ILE 200 HD12 ILE 200 -0.131 -3.375 -7.695 662 HD13 ILE 200 HD13 ILE 200 1.166 -2.185 -7.796 663 H VAL 201 HN VAL 201 4.372 -6.051 -8.673 664 HA VAL 201 HA VAL 201 6.037 -4.990 -6.494 665 HB VAL 201 HB VAL 201 7.040 -7.071 -7.165 666 HG11 VAL 201 HG11 VAL 201 6.010 -7.220 -9.414 667 HG12 VAL 201 HG12 VAL 201 7.739 -7.567 -9.423 668 HG13 VAL 201 HG13 VAL 201 7.152 -6.003 -9.984 669 HG21 VAL 201 HG21 VAL 201 8.512 -5.148 -6.659 670 HG22 VAL 201 HG22 VAL 201 8.603 -4.793 -8.384 671 HG23 VAL 201 HG23 VAL 201 9.257 -6.308 -7.760 672 H ILE 202 HN ILE 202 6.573 -2.963 -6.707 673 HA ILE 202 HA ILE 202 6.717 -1.740 -9.368 674 HB ILE 202 HB ILE 202 4.839 -0.637 -8.674 675 HG12 ILE 202 HG12 ILE 202 6.968 0.990 -7.261 676 HG13 ILE 202 HG11 ILE 202 6.650 1.029 -8.990 677 HG21 ILE 202 HG21 ILE 202 5.812 -0.787 -5.826 678 HG22 ILE 202 HG22 ILE 202 4.577 -1.801 -6.573 679 HG23 ILE 202 HG23 ILE 202 4.283 -0.078 -6.347 680 HD11 ILE 202 HD11 ILE 202 4.561 1.720 -6.962 681 HD12 ILE 202 HD12 ILE 202 4.585 2.079 -8.689 682 HD13 ILE 202 HD13 ILE 202 5.703 2.899 -7.601 683 H SEP 203 HN SEP 203 8.501 -0.444 -9.763 684 HA SEP 203 HA SEP 203 10.407 -0.280 -7.519 685 HB2 SEP 203 HB1 SEP 203 11.084 -0.190 -10.459 686 HB3 SEP 203 HB2 SEP 203 10.933 -1.711 -9.579 687 H ASP 204 HN ASP 204 10.666 1.583 -6.770 688 HA ASP 204 HA ASP 204 10.505 3.971 -8.430 689 HB2 ASP 204 HB2 ASP 204 8.385 3.750 -7.311 690 HB3 ASP 204 HB1 ASP 204 9.165 3.625 -5.762 691 H SEP 205 HN SEP 205 12.060 5.440 -8.052 692 HA SEP 205 HA SEP 205 13.675 5.166 -5.623 693 HB2 SEP 205 HB1 SEP 205 14.847 5.874 -8.228 694 HB3 SEP 205 HB2 SEP 205 14.762 4.201 -7.700 695 H GLU 206 HN GLU 206 14.269 7.030 -4.623 696 HA GLU 206 HA GLU 206 13.086 9.489 -5.310 697 HB2 GLU 206 HB2 GLU 206 13.786 9.180 -3.043 698 HB3 GLU 206 HB1 GLU 206 15.431 8.808 -3.530 699 HG2 GLU 206 HG2 GLU 206 15.288 11.020 -2.538 700 HG3 GLU 206 HG1 GLU 206 15.758 11.118 -4.236 Start of MODEL 10 1 H1 TYR 21 HN TYR 21 13.970 -6.672 0.623 2 HA TYR 21 HA TYR 21 11.998 -5.020 -0.729 3 HB2 TYR 21 HB2 TYR 21 12.191 -8.005 -1.150 4 HB3 TYR 21 HB1 TYR 21 10.758 -7.060 -1.530 5 HD1 TYR 21 HD1 TYR 21 10.830 -5.403 -3.372 6 HD2 TYR 21 HD2 TYR 21 14.087 -8.021 -2.584 7 HE1 TYR 21 HE1 TYR 21 11.722 -4.964 -5.623 8 HE2 TYR 21 HE2 TYR 21 14.986 -7.587 -4.827 9 HH TYR 21 HH TYR 21 14.089 -5.070 -6.718 10 H ILE 22 HN ILE 22 10.100 -4.881 0.362 11 HA ILE 22 HA ILE 22 9.786 -6.570 2.765 12 HB ILE 22 HB ILE 22 9.031 -3.648 2.520 13 HG12 ILE 22 HG12 ILE 22 11.469 -3.959 2.710 14 HG13 ILE 22 HG11 ILE 22 10.799 -3.225 4.163 15 HG21 ILE 22 HG21 ILE 22 8.850 -5.524 4.874 16 HG22 ILE 22 HG22 ILE 22 7.497 -4.898 3.933 17 HG23 ILE 22 HG23 ILE 22 8.480 -3.800 4.897 18 HD11 ILE 22 HD11 ILE 22 11.587 -6.108 3.821 19 HD12 ILE 22 HD12 ILE 22 10.864 -5.413 5.273 20 HD13 ILE 22 HD13 ILE 22 12.457 -4.878 4.736 21 H LYS 23 HN LYS 23 8.044 -7.833 2.520 22 HA LYS 23 HA LYS 23 5.960 -7.014 0.640 23 HB2 LYS 23 HB2 LYS 23 6.949 -9.277 0.492 24 HB3 LYS 23 HB1 LYS 23 6.326 -9.631 2.097 25 HG2 LYS 23 HG2 LYS 23 4.033 -8.979 1.027 26 HG3 LYS 23 HG1 LYS 23 4.869 -9.344 -0.485 27 HD2 LYS 23 HD2 LYS 23 3.808 -11.353 0.199 28 HD3 LYS 23 HD1 LYS 23 5.525 -11.550 0.552 29 HE2 LYS 23 HE2 LYS 23 4.330 -10.373 2.826 30 HE3 LYS 23 HE1 LYS 23 3.297 -11.709 2.327 31 HZ1 LYS 23 HZ1 LYS 23 4.814 -12.698 3.731 32 HZ2 LYS 23 HZ2 LYS 23 6.124 -11.769 3.164 33 HZ3 LYS 23 HZ3 LYS 23 5.479 -13.009 2.202 34 H LEU 24 HN LEU 24 4.204 -6.045 1.319 35 HA LEU 24 HA LEU 24 3.415 -6.265 4.137 36 HB2 LEU 24 HB2 LEU 24 2.376 -4.360 2.037 37 HB3 LEU 24 HB1 LEU 24 2.117 -4.266 3.769 38 HG LEU 24 HG LEU 24 4.830 -3.992 2.476 39 HD11 LEU 24 HD11 LEU 24 2.869 -1.868 3.316 40 HD12 LEU 24 HD12 LEU 24 3.462 -2.187 1.686 41 HD13 LEU 24 HD13 LEU 24 4.561 -1.575 2.920 42 HD21 LEU 24 HD21 LEU 24 5.485 -3.066 4.628 43 HD22 LEU 24 HD22 LEU 24 4.832 -4.693 4.828 44 HD23 LEU 24 HD23 LEU 24 3.846 -3.290 5.239 45 H LYS 25 HN LYS 25 1.430 -7.057 4.739 46 HA LYS 25 HA LYS 25 0.050 -8.620 2.716 47 HB2 LYS 25 HB2 LYS 25 -0.272 -8.455 5.716 48 HB3 LYS 25 HB1 LYS 25 -1.277 -9.461 4.683 49 HG2 LYS 25 HG2 LYS 25 1.013 -10.417 3.870 50 HG3 LYS 25 HG1 LYS 25 1.597 -9.760 5.401 51 HD2 LYS 25 HD2 LYS 25 0.982 -12.055 5.750 52 HD3 LYS 25 HD1 LYS 25 -0.205 -11.034 6.561 53 HE2 LYS 25 HE2 LYS 25 -1.811 -11.390 4.848 54 HE3 LYS 25 HE1 LYS 25 -0.615 -12.129 3.789 55 HZ1 LYS 25 HZ1 LYS 25 -1.628 -13.269 6.334 56 HZ2 LYS 25 HZ2 LYS 25 -0.442 -13.973 5.358 57 HZ3 LYS 25 HZ3 LYS 25 -2.023 -13.800 4.770 58 H VAL 26 HN VAL 26 -1.101 -7.245 1.476 59 HA VAL 26 HA VAL 26 -2.872 -5.289 2.689 60 HB VAL 26 HB VAL 26 -2.510 -6.023 -0.225 61 HG11 VAL 26 HG11 VAL 26 -3.884 -3.639 1.009 62 HG12 VAL 26 HG12 VAL 26 -4.694 -5.019 0.271 63 HG13 VAL 26 HG13 VAL 26 -3.688 -3.960 -0.711 64 HG21 VAL 26 HG21 VAL 26 -1.384 -3.692 1.320 65 HG22 VAL 26 HG22 VAL 26 -1.189 -3.986 -0.407 66 HG23 VAL 26 HG23 VAL 26 -0.470 -5.092 0.763 67 H ILE 27 HN ILE 27 -4.634 -6.146 3.595 68 HA ILE 27 HA ILE 27 -5.992 -8.348 2.206 69 HB ILE 27 HB ILE 27 -6.532 -7.380 5.010 70 HG12 ILE 27 HG12 ILE 27 -4.194 -8.156 4.811 71 HG13 ILE 27 HG11 ILE 27 -5.161 -9.238 5.808 72 HG21 ILE 27 HG21 ILE 27 -7.512 -9.664 5.241 73 HG22 ILE 27 HG22 ILE 27 -7.290 -9.876 3.505 74 HG23 ILE 27 HG23 ILE 27 -8.367 -8.616 4.107 75 HD11 ILE 27 HD11 ILE 27 -4.345 -9.690 2.948 76 HD12 ILE 27 HD12 ILE 27 -5.386 -10.759 3.887 77 HD13 ILE 27 HD13 ILE 27 -3.709 -10.511 4.372 78 H GLY 28 HN GLY 28 -7.674 -7.865 1.004 79 HA2 GLY 28 HA2 GLY 28 -8.998 -5.296 1.274 80 HA3 GLY 28 HA1 GLY 28 -9.304 -6.506 0.033 81 H GLN 29 HN GLN 29 -11.449 -5.272 1.140 82 HA GLN 29 HA GLN 29 -12.481 -6.568 3.443 83 HB2 GLN 29 HB2 GLN 29 -13.245 -4.349 2.584 84 HB3 GLN 29 HB1 GLN 29 -14.043 -5.181 1.259 85 HG2 GLN 29 HG2 GLN 29 -15.570 -4.559 3.088 86 HG3 GLN 29 HG1 GLN 29 -15.538 -6.289 2.766 87 HE21 GLN 29 HE21 GLN 29 -14.604 -7.672 4.271 88 HE22 GLN 29 HE22 GLN 29 -14.292 -7.179 5.899 89 H ASP 30 HN ASP 30 -12.256 -7.512 0.156 90 HA ASP 30 HA ASP 30 -14.392 -9.468 0.340 91 HB2 ASP 30 HB2 ASP 30 -13.969 -9.959 -1.951 92 HB3 ASP 30 HB1 ASP 30 -13.807 -8.215 -1.791 93 H SER 31 HN SER 31 -11.600 -9.356 1.794 94 HA SER 31 HA SER 31 -10.167 -10.825 2.725 95 HB2 SER 31 HB2 SER 31 -12.203 -12.864 1.790 96 HB3 SER 31 HB1 SER 31 -10.887 -13.193 2.918 97 HG SER 31 HG SER 31 -12.012 -11.142 3.964 98 H SER 32 HN SER 32 -9.137 -9.946 0.551 99 HA SER 32 HA SER 32 -8.142 -12.262 -0.984 100 HB2 SER 32 HB2 SER 32 -7.404 -10.321 -2.575 101 HB3 SER 32 HB1 SER 32 -9.100 -10.810 -2.556 102 HG SER 32 HG SER 32 -9.625 -8.909 -1.810 103 H GLU 33 HN GLU 33 -6.121 -12.867 -0.430 104 HA GLU 33 HA GLU 33 -4.485 -11.143 1.206 105 HB2 GLU 33 HB2 GLU 33 -3.836 -13.859 0.043 106 HB3 GLU 33 HB1 GLU 33 -2.925 -13.025 1.294 107 HG2 GLU 33 HG2 GLU 33 -5.695 -13.267 2.035 108 HG3 GLU 33 HG1 GLU 33 -5.008 -14.839 1.639 109 H ILE 34 HN ILE 34 -3.973 -9.401 -0.126 110 HA ILE 34 HA ILE 34 -2.521 -9.943 -2.599 111 HB ILE 34 HB ILE 34 -3.342 -7.304 -1.379 112 HG12 ILE 34 HG12 ILE 34 -5.297 -8.560 -2.023 113 HG13 ILE 34 HG11 ILE 34 -5.036 -7.286 -3.208 114 HG21 ILE 34 HG21 ILE 34 -2.204 -7.933 -4.097 115 HG22 ILE 34 HG22 ILE 34 -1.400 -7.044 -2.803 116 HG23 ILE 34 HG23 ILE 34 -2.823 -6.361 -3.591 117 HD11 ILE 34 HD11 ILE 34 -4.436 -10.216 -3.518 118 HD12 ILE 34 HD12 ILE 34 -3.952 -8.978 -4.677 119 HD13 ILE 34 HD13 ILE 34 -5.662 -9.271 -4.364 120 H HIS 35 HN HIS 35 -0.401 -9.898 -2.755 121 HA HIS 35 HA HIS 35 1.171 -9.070 -0.423 122 HB2 HIS 35 HB2 HIS 35 2.076 -10.727 -2.782 123 HB3 HIS 35 HB1 HIS 35 2.893 -10.530 -1.239 124 HD2 HIS 35 HD2 HIS 35 1.457 -11.766 0.970 125 HE1 HIS 35 HE1 HIS 35 -0.453 -14.507 -1.630 126 HE2 HIS 35 HE2 HIS 35 0.099 -13.968 0.787 127 H PHE 36 HN PHE 36 1.472 -6.897 -0.741 128 HA PHE 36 HA PHE 36 2.649 -6.055 -3.299 129 HB2 PHE 36 HB2 PHE 36 0.611 -4.870 -2.046 130 HB3 PHE 36 HB1 PHE 36 1.922 -4.080 -1.175 131 HD1 PHE 36 HD1 PHE 36 3.909 -3.861 -3.413 132 HD2 PHE 36 HD2 PHE 36 -0.281 -3.123 -3.294 133 HE1 PHE 36 HE1 PHE 36 4.139 -2.269 -5.271 134 HE2 PHE 36 HE2 PHE 36 -0.056 -1.526 -5.155 135 HZ PHE 36 HZ PHE 36 2.158 -1.101 -6.148 136 H LYS 37 HN LYS 37 4.796 -6.061 -3.329 137 HA LYS 37 HA LYS 37 6.203 -5.704 -0.787 138 HB2 LYS 37 HB2 LYS 37 8.196 -6.608 -2.078 139 HB3 LYS 37 HB1 LYS 37 6.890 -7.733 -1.740 140 HG2 LYS 37 HG2 LYS 37 6.046 -7.172 -4.088 141 HG3 LYS 37 HG1 LYS 37 7.641 -6.464 -4.349 142 HD2 LYS 37 HD2 LYS 37 7.137 -9.294 -3.440 143 HD3 LYS 37 HD1 LYS 37 7.477 -8.819 -5.103 144 HE2 LYS 37 HE2 LYS 37 9.675 -8.566 -4.710 145 HE3 LYS 37 HE1 LYS 37 9.407 -7.833 -3.132 146 HZ1 LYS 37 HZ1 LYS 37 9.124 -10.739 -3.648 147 HZ2 LYS 37 HZ2 LYS 37 9.135 -9.961 -2.150 148 HZ3 LYS 37 HZ3 LYS 37 10.548 -10.026 -3.075 149 H VAL 38 HN VAL 38 7.435 -4.062 -0.378 150 HA VAL 38 HA VAL 38 7.820 -2.042 -2.482 151 HB VAL 38 HB VAL 38 8.040 -0.396 -0.670 152 HG11 VAL 38 HG11 VAL 38 5.856 -0.603 -1.548 153 HG12 VAL 38 HG12 VAL 38 5.671 -0.563 0.205 154 HG13 VAL 38 HG13 VAL 38 5.559 -2.095 -0.662 155 HG21 VAL 38 HG21 VAL 38 8.946 -1.868 1.065 156 HG22 VAL 38 HG22 VAL 38 7.394 -2.697 1.178 157 HG23 VAL 38 HG23 VAL 38 7.521 -1.002 1.646 158 H LYS 39 HN LYS 39 9.800 -0.628 -2.000 159 HA LYS 39 HA LYS 39 12.043 -2.312 -1.107 160 HB2 LYS 39 HB2 LYS 39 11.574 -1.461 -3.734 161 HB3 LYS 39 HB1 LYS 39 12.809 -0.368 -3.126 162 HG2 LYS 39 HG2 LYS 39 14.225 -2.249 -2.550 163 HG3 LYS 39 HG1 LYS 39 12.978 -3.376 -3.076 164 HD2 LYS 39 HD2 LYS 39 14.384 -3.299 -4.909 165 HD3 LYS 39 HD1 LYS 39 13.147 -2.116 -5.331 166 HE2 LYS 39 HE2 LYS 39 14.641 -0.330 -4.442 167 HE3 LYS 39 HE1 LYS 39 15.888 -1.553 -4.214 168 HZ1 LYS 39 HZ1 LYS 39 14.690 -0.631 -6.764 169 HZ2 LYS 39 HZ2 LYS 39 15.645 -2.030 -6.647 170 HZ3 LYS 39 HZ3 LYS 39 16.311 -0.523 -6.273 171 H MET 40 HN MET 40 13.784 -1.176 -0.130 172 HA MET 40 HA MET 40 12.953 1.172 1.290 173 HB2 MET 40 HB2 MET 40 14.464 -0.740 2.133 174 HB3 MET 40 HB1 MET 40 15.756 0.083 1.270 175 HG2 MET 40 HG2 MET 40 15.669 0.645 3.666 176 HG3 MET 40 HG1 MET 40 15.486 2.049 2.616 177 HE1 MET 40 HE1 MET 40 12.662 -0.659 3.513 178 HE2 MET 40 HE2 MET 40 12.058 0.069 5.001 179 HE3 MET 40 HE3 MET 40 13.717 -0.527 4.919 180 H THR 41 HN THR 41 12.608 2.285 -0.807 181 HA THR 41 HA THR 41 14.458 4.356 -1.185 182 HB THR 41 HB THR 41 15.641 2.409 -2.429 183 HG1 THR 41 HG1 THR 41 15.027 4.838 -3.808 184 HG21 THR 41 HG21 THR 41 13.820 1.416 -3.610 185 HG22 THR 41 HG22 THR 41 14.846 2.188 -4.818 186 HG23 THR 41 HG23 THR 41 13.329 2.963 -4.318 187 H THR 42 HN THR 42 11.763 2.454 -2.148 188 HA THR 42 HA THR 42 10.699 4.338 -4.027 189 HB THR 42 HB THR 42 8.887 2.829 -4.289 190 HG1 THR 42 HG1 THR 42 8.944 2.555 -1.728 191 HG21 THR 42 HG21 THR 42 11.340 1.995 -4.757 192 HG22 THR 42 HG22 THR 42 9.960 0.913 -4.958 193 HG23 THR 42 HG23 THR 42 10.942 0.831 -3.492 194 H HIS 43 HN HIS 43 9.342 5.987 -3.626 195 HA HIS 43 HA HIS 43 8.664 6.585 -0.877 196 HB2 HIS 43 HB2 HIS 43 7.527 8.063 -3.244 197 HB3 HIS 43 HB1 HIS 43 7.849 8.665 -1.633 198 HD2 HIS 43 HD2 HIS 43 11.193 7.360 -2.305 199 HE1 HIS 43 HE1 HIS 43 11.062 10.926 -4.534 200 HE2 HIS 43 HE2 HIS 43 12.552 9.195 -3.470 201 H LEU 44 HN LEU 44 6.470 6.658 -0.082 202 HA LEU 44 HA LEU 44 4.868 4.571 -1.187 203 HB2 LEU 44 HB2 LEU 44 4.388 6.487 1.079 204 HB3 LEU 44 HB1 LEU 44 3.221 5.266 0.604 205 HG LEU 44 HG LEU 44 6.018 4.759 1.624 206 HD11 LEU 44 HD11 LEU 44 4.368 5.432 3.328 207 HD12 LEU 44 HD12 LEU 44 4.931 3.775 3.533 208 HD13 LEU 44 HD13 LEU 44 3.343 4.087 2.833 209 HD21 LEU 44 HD21 LEU 44 5.235 2.357 1.587 210 HD22 LEU 44 HD22 LEU 44 5.590 3.077 0.018 211 HD23 LEU 44 HD23 LEU 44 3.917 2.895 0.546 212 H LYS 45 HN LYS 45 5.212 7.711 -2.114 213 HA LYS 45 HA LYS 45 2.596 8.578 -2.652 214 HB2 LYS 45 HB2 LYS 45 4.463 10.105 -2.787 215 HB3 LYS 45 HB1 LYS 45 5.212 9.146 -4.049 216 HG2 LYS 45 HG2 LYS 45 4.318 10.896 -5.237 217 HG3 LYS 45 HG1 LYS 45 3.050 9.674 -5.384 218 HD2 LYS 45 HD2 LYS 45 1.841 10.720 -3.525 219 HD3 LYS 45 HD1 LYS 45 3.110 11.939 -3.383 220 HE2 LYS 45 HE2 LYS 45 2.631 12.600 -5.738 221 HE3 LYS 45 HE1 LYS 45 1.259 11.493 -5.715 222 HZ1 LYS 45 HZ1 LYS 45 0.395 12.766 -3.789 223 HZ2 LYS 45 HZ2 LYS 45 0.478 13.677 -5.215 224 HZ3 LYS 45 HZ3 LYS 45 1.644 13.893 -4.012 225 H LYS 46 HN LYS 46 4.943 6.954 -4.788 226 HA LYS 46 HA LYS 46 3.115 6.565 -6.916 227 HB2 LYS 46 HB2 LYS 46 5.656 6.539 -7.029 228 HB3 LYS 46 HB1 LYS 46 5.582 4.915 -6.360 229 HG2 LYS 46 HG2 LYS 46 4.428 4.096 -8.278 230 HG3 LYS 46 HG1 LYS 46 4.200 5.728 -8.907 231 HD2 LYS 46 HD2 LYS 46 6.957 4.671 -8.403 232 HD3 LYS 46 HD1 LYS 46 6.101 4.244 -9.886 233 HE2 LYS 46 HE2 LYS 46 6.056 6.441 -10.637 234 HE3 LYS 46 HE1 LYS 46 6.307 7.099 -9.019 235 HZ1 LYS 46 HZ1 LYS 46 8.263 7.217 -10.545 236 HZ2 LYS 46 HZ2 LYS 46 8.360 5.532 -10.466 237 HZ3 LYS 46 HZ3 LYS 46 8.561 6.457 -9.059 238 H LEU 47 HN LEU 47 3.879 4.778 -4.040 239 HA LEU 47 HA LEU 47 2.875 2.248 -4.718 240 HB2 LEU 47 HB2 LEU 47 3.500 3.715 -2.246 241 HB3 LEU 47 HB1 LEU 47 2.285 2.473 -2.057 242 HG LEU 47 HG LEU 47 4.431 1.568 -1.480 243 HD11 LEU 47 HD11 LEU 47 3.582 0.538 -4.179 244 HD12 LEU 47 HD12 LEU 47 2.848 0.104 -2.636 245 HD13 LEU 47 HD13 LEU 47 4.522 -0.333 -2.971 246 HD21 LEU 47 HD21 LEU 47 5.335 2.337 -4.248 247 HD22 LEU 47 HD22 LEU 47 6.283 1.466 -3.044 248 HD23 LEU 47 HD23 LEU 47 5.815 3.143 -2.756 249 H LYS 48 HN LYS 48 1.313 5.067 -3.300 250 HA LYS 48 HA LYS 48 -1.191 3.911 -2.817 251 HB2 LYS 48 HB2 LYS 48 -0.431 6.786 -3.332 252 HB3 LYS 48 HB1 LYS 48 -2.007 6.269 -2.746 253 HG2 LYS 48 HG2 LYS 48 -0.956 5.319 -0.749 254 HG3 LYS 48 HG1 LYS 48 0.623 5.835 -1.341 255 HD2 LYS 48 HD2 LYS 48 -0.101 7.453 0.254 256 HD3 LYS 48 HD1 LYS 48 -0.256 8.190 -1.340 257 HE2 LYS 48 HE2 LYS 48 -2.621 7.776 -1.358 258 HE3 LYS 48 HE1 LYS 48 -2.516 6.872 0.150 259 HZ1 LYS 48 HZ1 LYS 48 -3.319 9.202 0.374 260 HZ2 LYS 48 HZ2 LYS 48 -1.780 9.740 -0.093 261 HZ3 LYS 48 HZ3 LYS 48 -1.970 8.838 1.333 262 H GLU 49 HN GLU 49 -0.070 5.806 -5.633 263 HA GLU 49 HA GLU 49 -2.597 5.609 -6.941 264 HB2 GLU 49 HB2 GLU 49 -1.352 6.453 -8.950 265 HB3 GLU 49 HB1 GLU 49 -1.257 7.471 -7.522 266 HG2 GLU 49 HG2 GLU 49 0.969 6.777 -7.080 267 HG3 GLU 49 HG1 GLU 49 0.882 5.517 -8.311 268 H SER 50 HN SER 50 0.383 3.720 -7.112 269 HA SER 50 HA SER 50 -0.238 2.264 -9.427 270 HB2 SER 50 HB2 SER 50 1.430 1.473 -7.036 271 HB3 SER 50 HB1 SER 50 1.382 0.581 -8.556 272 HG SER 50 HG SER 50 2.363 3.183 -8.055 273 H TYR 51 HN TYR 51 -1.126 1.706 -6.047 274 HA TYR 51 HA TYR 51 -2.249 -0.860 -6.478 275 HB2 TYR 51 HB2 TYR 51 -1.635 -0.036 -4.226 276 HB3 TYR 51 HB1 TYR 51 -2.935 1.149 -4.316 277 HD1 TYR 51 HD1 TYR 51 -2.296 -2.520 -4.408 278 HD2 TYR 51 HD2 TYR 51 -5.084 0.587 -3.582 279 HE1 TYR 51 HE1 TYR 51 -3.870 -4.180 -3.503 280 HE2 TYR 51 HE2 TYR 51 -6.662 -1.061 -2.672 281 HH TYR 51 HH TYR 51 -7.147 -3.392 -2.757 282 H CYS 52 HN CYS 52 -3.473 2.399 -6.774 283 HA CYS 52 HA CYS 52 -6.221 1.764 -6.954 284 HB2 CYS 52 HB2 CYS 52 -4.734 4.119 -8.140 285 HB3 CYS 52 HB1 CYS 52 -6.474 4.017 -7.885 286 HG CYS 52 HG CYS 52 -4.097 4.062 -5.414 287 H GLN 53 HN GLN 53 -3.646 2.092 -9.353 288 HA GLN 53 HA GLN 53 -5.245 1.741 -11.659 289 HB2 GLN 53 HB2 GLN 53 -2.358 0.905 -11.320 290 HB3 GLN 53 HB1 GLN 53 -3.178 1.290 -12.824 291 HG2 GLN 53 HG2 GLN 53 -3.201 3.580 -12.357 292 HG3 GLN 53 HG1 GLN 53 -2.853 3.321 -10.648 293 HE21 GLN 53 HE21 GLN 53 -1.464 4.962 -12.630 294 HE22 GLN 53 HE22 GLN 53 0.176 4.412 -12.630 295 H ARG 54 HN ARG 54 -3.674 -0.436 -9.445 296 HA ARG 54 HA ARG 54 -3.945 -2.831 -10.906 297 HB2 ARG 54 HB2 ARG 54 -2.402 -2.455 -8.985 298 HB3 ARG 54 HB1 ARG 54 -3.790 -2.471 -7.909 299 HG2 ARG 54 HG2 ARG 54 -2.750 -4.607 -7.817 300 HG3 ARG 54 HG1 ARG 54 -4.280 -4.783 -8.679 301 HD2 ARG 54 HD2 ARG 54 -3.023 -4.630 -10.817 302 HD3 ARG 54 HD1 ARG 54 -1.524 -4.617 -9.885 303 HE ARG 54 HE ARG 54 -3.304 -6.848 -9.392 304 HH11 ARG 54 HH11 ARG 54 -0.547 -5.631 -11.175 305 HH12 ARG 54 HH12 ARG 54 0.074 -7.211 -11.534 306 HH21 ARG 54 HH21 ARG 54 -2.493 -8.923 -9.862 307 HH22 ARG 54 HH22 ARG 54 -1.035 -9.088 -10.791 308 H GLN 55 HN GLN 55 -6.103 -1.108 -8.745 309 HA GLN 55 HA GLN 55 -7.994 -3.321 -8.730 310 HB2 GLN 55 HB2 GLN 55 -7.900 -0.673 -7.313 311 HB3 GLN 55 HB1 GLN 55 -9.339 -1.683 -7.288 312 HG2 GLN 55 HG2 GLN 55 -6.609 -2.522 -6.333 313 HG3 GLN 55 HG1 GLN 55 -7.931 -1.982 -5.299 314 HE21 GLN 55 HE21 GLN 55 -9.689 -3.326 -4.973 315 HE22 GLN 55 HE22 GLN 55 -9.657 -5.008 -5.377 316 H GLY 56 HN GLY 56 -7.352 -0.570 -10.581 317 HA2 GLY 56 HA2 GLY 56 -8.429 0.103 -12.522 318 HA3 GLY 56 HA1 GLY 56 -9.745 -0.997 -12.142 319 H VAL 57 HN VAL 57 -8.413 1.584 -10.133 320 HA VAL 57 HA VAL 57 -10.846 3.176 -10.523 321 HB VAL 57 HB VAL 57 -10.799 3.604 -7.975 322 HG11 VAL 57 HG11 VAL 57 -12.301 1.718 -7.548 323 HG12 VAL 57 HG12 VAL 57 -11.751 0.947 -9.036 324 HG13 VAL 57 HG13 VAL 57 -12.631 2.473 -9.108 325 HG21 VAL 57 HG21 VAL 57 -8.699 2.486 -7.483 326 HG22 VAL 57 HG22 VAL 57 -9.355 0.956 -8.070 327 HG23 VAL 57 HG23 VAL 57 -10.027 1.706 -6.621 328 HA PRO 58 HA PRO 58 -8.017 6.590 -10.435 329 HB2 PRO 58 HB2 PRO 58 -9.496 8.543 -9.254 330 HB3 PRO 58 HB1 PRO 58 -9.786 7.990 -10.909 331 HG2 PRO 58 HG2 PRO 58 -11.232 7.256 -8.406 332 HG3 PRO 58 HG1 PRO 58 -11.882 7.615 -10.019 333 HD2 PRO 58 HD2 PRO 58 -11.598 5.092 -9.112 334 HD3 PRO 58 HD1 PRO 58 -11.419 5.515 -10.825 335 H MET 59 HN MET 59 -6.721 7.934 -9.006 336 HA MET 59 HA MET 59 -6.170 6.648 -6.521 337 HB2 MET 59 HB2 MET 59 -4.415 7.712 -7.910 338 HB3 MET 59 HB1 MET 59 -5.115 9.286 -7.558 339 HG2 MET 59 HG2 MET 59 -4.661 8.932 -5.167 340 HG3 MET 59 HG1 MET 59 -3.910 7.387 -5.555 341 HE1 MET 59 HE1 MET 59 -2.637 10.000 -3.940 342 HE2 MET 59 HE2 MET 59 -0.972 9.866 -4.513 343 HE3 MET 59 HE3 MET 59 -1.864 8.417 -4.053 344 H ASN 60 HN ASN 60 -6.273 7.503 -4.438 345 HA ASN 60 HA ASN 60 -7.054 8.666 -2.661 346 HB2 ASN 60 HB2 ASN 60 -6.720 10.686 -4.367 347 HB3 ASN 60 HB1 ASN 60 -8.480 10.724 -4.275 348 HD21 ASN 60 HD21 ASN 60 -9.455 11.486 -2.462 349 HD22 ASN 60 HD22 ASN 60 -8.596 12.140 -1.111 350 H SER 61 HN SER 61 -8.568 6.698 -4.337 351 HA SER 61 HA SER 61 -11.318 7.359 -3.565 352 HB2 SER 61 HB2 SER 61 -11.891 5.327 -4.932 353 HB3 SER 61 HB1 SER 61 -11.089 6.597 -5.855 354 HG SER 61 HG SER 61 -9.484 5.297 -6.221 355 H LEU 62 HN LEU 62 -8.623 5.387 -2.826 356 HA LEU 62 HA LEU 62 -10.163 3.922 -0.794 357 HB2 LEU 62 HB2 LEU 62 -7.668 3.016 -2.236 358 HB3 LEU 62 HB1 LEU 62 -8.549 2.103 -1.028 359 HG LEU 62 HG LEU 62 -9.870 2.938 -3.589 360 HD11 LEU 62 HD11 LEU 62 -9.250 0.762 -4.532 361 HD12 LEU 62 HD12 LEU 62 -8.220 0.456 -3.134 362 HD13 LEU 62 HD13 LEU 62 -7.838 1.777 -4.238 363 HD21 LEU 62 HD21 LEU 62 -10.323 0.657 -1.672 364 HD22 LEU 62 HD22 LEU 62 -11.251 0.967 -3.140 365 HD23 LEU 62 HD23 LEU 62 -11.302 2.116 -1.805 366 H ARG 63 HN ARG 63 -9.366 3.915 1.259 367 HA ARG 63 HA ARG 63 -7.003 5.602 1.722 368 HB2 ARG 63 HB2 ARG 63 -7.863 5.877 4.029 369 HB3 ARG 63 HB1 ARG 63 -8.973 6.478 2.808 370 HG2 ARG 63 HG2 ARG 63 -10.375 4.530 3.062 371 HG3 ARG 63 HG1 ARG 63 -9.216 3.807 4.181 372 HD2 ARG 63 HD2 ARG 63 -9.576 5.657 5.743 373 HD3 ARG 63 HD1 ARG 63 -10.731 6.377 4.626 374 HE ARG 63 HE ARG 63 -11.123 3.855 6.105 375 HH11 ARG 63 HH11 ARG 63 -12.417 6.614 4.355 376 HH12 ARG 63 HH12 ARG 63 -14.065 6.224 4.740 377 HH21 ARG 63 HH21 ARG 63 -14.566 4.374 5.990 378 HH22 ARG 63 HH22 ARG 63 -13.296 3.348 6.577 379 H PHE 64 HN PHE 64 -5.216 4.720 2.433 380 HA PHE 64 HA PHE 64 -5.216 1.909 3.210 381 HB2 PHE 64 HB2 PHE 64 -2.790 3.670 2.852 382 HB3 PHE 64 HB1 PHE 64 -2.889 1.916 2.747 383 HD1 PHE 64 HD1 PHE 64 -3.218 5.044 0.975 384 HD2 PHE 64 HD2 PHE 64 -3.983 0.862 0.779 385 HE1 PHE 64 HE1 PHE 64 -3.515 5.217 -1.460 386 HE2 PHE 64 HE2 PHE 64 -4.279 1.030 -1.656 387 HZ PHE 64 HZ PHE 64 -4.044 3.211 -2.778 388 H LEU 65 HN LEU 65 -5.138 1.333 5.287 389 HA LEU 65 HA LEU 65 -4.301 3.380 7.232 390 HB2 LEU 65 HB2 LEU 65 -6.229 1.098 7.635 391 HB3 LEU 65 HB1 LEU 65 -5.786 2.291 8.839 392 HG LEU 65 HG LEU 65 -7.169 2.977 6.249 393 HD11 LEU 65 HD11 LEU 65 -8.361 2.577 8.989 394 HD12 LEU 65 HD12 LEU 65 -8.579 1.510 7.601 395 HD13 LEU 65 HD13 LEU 65 -9.215 3.156 7.558 396 HD21 LEU 65 HD21 LEU 65 -7.684 5.076 7.413 397 HD22 LEU 65 HD22 LEU 65 -5.948 4.823 7.243 398 HD23 LEU 65 HD23 LEU 65 -6.732 4.532 8.794 399 H PHE 66 HN PHE 66 -2.741 2.964 8.602 400 HA PHE 66 HA PHE 66 -1.896 0.219 9.133 401 HB2 PHE 66 HB2 PHE 66 -0.456 0.911 7.285 402 HB3 PHE 66 HB1 PHE 66 -0.053 2.404 8.123 403 HD1 PHE 66 HD1 PHE 66 0.060 -1.281 8.701 404 HD2 PHE 66 HD2 PHE 66 1.960 2.489 9.226 405 HE1 PHE 66 HE1 PHE 66 1.986 -2.399 9.746 406 HE2 PHE 66 HE2 PHE 66 3.889 1.376 10.274 407 HZ PHE 66 HZ PHE 66 3.903 -1.073 10.534 408 H GLU 67 HN GLU 67 -1.823 0.019 11.256 409 HA GLU 67 HA GLU 67 -1.586 0.440 13.473 410 HB2 GLU 67 HB2 GLU 67 0.325 2.509 12.393 411 HB3 GLU 67 HB1 GLU 67 0.093 2.247 14.116 412 HG2 GLU 67 HG2 GLU 67 1.097 0.250 12.104 413 HG3 GLU 67 HG1 GLU 67 2.028 1.042 13.375 414 H GLY 68 HN GLY 68 -3.718 1.719 11.954 415 HA2 GLY 68 HA2 GLY 68 -5.536 2.981 12.682 416 HA3 GLY 68 HA1 GLY 68 -4.556 3.586 14.008 417 H GLN 69 HN GLN 69 -2.602 4.080 11.504 418 HA GLN 69 HA GLN 69 -3.633 6.801 11.079 419 HB2 GLN 69 HB2 GLN 69 -0.830 5.771 10.604 420 HB3 GLN 69 HB1 GLN 69 -1.363 7.444 10.542 421 HG2 GLN 69 HG2 GLN 69 -2.087 6.573 13.073 422 HG3 GLN 69 HG1 GLN 69 -0.496 5.868 12.793 423 HE21 GLN 69 HE21 GLN 69 -1.223 7.916 14.668 424 HE22 GLN 69 HE22 GLN 69 -0.298 9.323 14.266 425 H ARG 70 HN ARG 70 -3.354 7.726 8.926 426 HA ARG 70 HA ARG 70 -3.749 5.670 6.876 427 HB2 ARG 70 HB2 ARG 70 -4.819 7.376 5.533 428 HB3 ARG 70 HB1 ARG 70 -5.537 7.366 7.135 429 HG2 ARG 70 HG2 ARG 70 -4.109 9.307 7.731 430 HG3 ARG 70 HG1 ARG 70 -3.545 9.347 6.058 431 HD2 ARG 70 HD2 ARG 70 -6.394 9.666 6.993 432 HD3 ARG 70 HD1 ARG 70 -5.341 10.954 6.414 433 HE ARG 70 HE ARG 70 -5.320 9.591 4.254 434 HH11 ARG 70 HH11 ARG 70 -9.221 9.449 5.219 435 HH12 ARG 70 HH12 ARG 70 -8.043 9.749 6.455 436 HH21 ARG 70 HH21 ARG 70 -8.572 9.143 3.046 437 HH22 ARG 70 HH22 ARG 70 -6.882 9.198 2.622 438 H ILE 71 HN ILE 71 -2.489 5.520 5.093 439 HA ILE 71 HA ILE 71 0.167 6.485 5.264 440 HB ILE 71 HB ILE 71 -1.246 5.266 2.887 441 HG12 ILE 71 HG12 ILE 71 -1.332 3.787 4.824 442 HG13 ILE 71 HG11 ILE 71 -0.205 3.153 3.630 443 HG21 ILE 71 HG21 ILE 71 0.768 6.387 2.190 444 HG22 ILE 71 HG22 ILE 71 1.031 4.643 2.155 445 HG23 ILE 71 HG23 ILE 71 1.688 5.607 3.478 446 HD11 ILE 71 HD11 ILE 71 0.492 4.593 6.179 447 HD12 ILE 71 HD12 ILE 71 1.660 4.094 4.955 448 HD13 ILE 71 HD13 ILE 71 0.719 2.882 5.822 449 H ALA 72 HN ALA 72 0.910 8.424 4.784 450 HA ALA 72 HA ALA 72 -0.692 10.254 3.194 451 HB1 ALA 72 HB1 ALA 72 1.889 10.657 4.699 452 HB2 ALA 72 HB2 ALA 72 0.271 11.113 5.234 453 HB3 ALA 72 HB3 ALA 72 1.006 11.929 3.854 454 H ASP 73 HN ASP 73 0.407 11.608 1.554 455 HA ASP 73 HA ASP 73 1.590 9.946 -0.444 456 HB2 ASP 73 HB2 ASP 73 0.879 12.859 -0.267 457 HB3 ASP 73 HB1 ASP 73 1.801 12.248 -1.634 458 H ASN 74 HN ASN 74 2.899 11.601 2.154 459 HA ASN 74 HA ASN 74 5.514 11.827 0.819 460 HB2 ASN 74 HB2 ASN 74 6.111 13.487 2.523 461 HB3 ASN 74 HB1 ASN 74 4.668 13.977 1.644 462 HD21 ASN 74 HD21 ASN 74 5.996 13.091 4.684 463 HD22 ASN 74 HD22 ASN 74 4.570 13.351 5.629 464 H HIS 75 HN HIS 75 4.018 9.591 2.408 465 HA HIS 75 HA HIS 75 5.861 9.170 4.604 466 HB2 HIS 75 HB2 HIS 75 3.332 7.905 3.682 467 HB3 HIS 75 HB1 HIS 75 4.457 6.894 4.584 468 HD2 HIS 75 HD2 HIS 75 5.309 9.524 6.596 469 HE1 HIS 75 HE1 HIS 75 1.309 8.920 7.837 470 HE2 HIS 75 HE2 HIS 75 3.541 9.967 8.438 471 H THR 76 HN THR 76 7.239 7.394 4.811 472 HA THR 76 HA THR 76 7.888 5.988 2.304 473 HB THR 76 HB THR 76 10.276 6.027 2.981 474 HG1 THR 76 HG1 THR 76 9.295 7.732 5.057 475 HG21 THR 76 HG21 THR 76 9.533 7.721 1.425 476 HG22 THR 76 HG22 THR 76 10.697 8.433 2.543 477 HG23 THR 76 HG23 THR 76 8.973 8.741 2.751 478 HA PRO 77 HA PRO 77 7.662 2.268 4.717 479 HB2 PRO 77 HB2 PRO 77 10.023 1.141 3.410 480 HB3 PRO 77 HB1 PRO 77 8.329 0.665 3.254 481 HG2 PRO 77 HG2 PRO 77 9.660 1.853 1.245 482 HG3 PRO 77 HG1 PRO 77 7.926 2.107 1.521 483 HD2 PRO 77 HD2 PRO 77 10.229 3.878 2.242 484 HD3 PRO 77 HD1 PRO 77 8.647 4.307 1.555 485 H LYS 78 HN LYS 78 10.159 4.383 5.078 486 HA LYS 78 HA LYS 78 11.826 2.762 6.804 487 HB2 LYS 78 HB2 LYS 78 12.886 4.408 5.348 488 HB3 LYS 78 HB1 LYS 78 11.938 5.697 6.068 489 HG2 LYS 78 HG2 LYS 78 14.213 5.722 6.901 490 HG3 LYS 78 HG1 LYS 78 13.079 5.353 8.200 491 HD2 LYS 78 HD2 LYS 78 14.924 3.883 8.458 492 HD3 LYS 78 HD1 LYS 78 13.597 2.919 7.817 493 HE2 LYS 78 HE2 LYS 78 14.568 3.166 5.552 494 HE3 LYS 78 HE1 LYS 78 15.928 4.037 6.259 495 HZ1 LYS 78 HZ1 LYS 78 15.165 1.216 6.794 496 HZ2 LYS 78 HZ2 LYS 78 16.404 2.040 7.596 497 HZ3 LYS 78 HZ3 LYS 78 16.522 1.751 5.937 498 H GLU 79 HN GLU 79 9.400 5.289 7.058 499 HA GLU 79 HA GLU 79 9.714 5.418 9.954 500 HB2 GLU 79 HB2 GLU 79 8.099 7.255 9.844 501 HB3 GLU 79 HB1 GLU 79 9.443 7.520 8.743 502 HG2 GLU 79 HG2 GLU 79 7.795 6.356 7.035 503 HG3 GLU 79 HG1 GLU 79 6.589 6.973 8.165 504 H LEU 80 HN LEU 80 7.444 5.673 11.083 505 HA LEU 80 HA LEU 80 5.513 4.765 11.825 506 HB2 LEU 80 HB2 LEU 80 5.399 3.597 9.056 507 HB3 LEU 80 HB1 LEU 80 4.157 3.319 10.259 508 HG LEU 80 HG LEU 80 4.940 6.077 9.328 509 HD11 LEU 80 HD11 LEU 80 4.133 4.848 7.406 510 HD12 LEU 80 HD12 LEU 80 2.911 6.001 7.939 511 HD13 LEU 80 HD13 LEU 80 2.732 4.290 8.320 512 HD21 LEU 80 HD21 LEU 80 2.677 6.614 10.223 513 HD22 LEU 80 HD22 LEU 80 3.835 6.096 11.447 514 HD23 LEU 80 HD23 LEU 80 2.599 4.976 10.872 515 H GLY 81 HN GLY 81 7.637 2.492 10.154 516 HA2 GLY 81 HA2 GLY 81 8.755 0.772 11.390 517 HA3 GLY 81 HA1 GLY 81 7.383 0.714 12.483 518 H MET 82 HN MET 82 7.746 0.482 8.944 519 HA MET 82 HA MET 82 5.825 -1.690 8.895 520 HB2 MET 82 HB2 MET 82 7.137 0.052 6.870 521 HB3 MET 82 HB1 MET 82 6.626 -1.544 6.342 522 HG2 MET 82 HG2 MET 82 4.347 -1.042 7.133 523 HG3 MET 82 HG1 MET 82 4.883 0.582 7.564 524 HE1 MET 82 HE1 MET 82 2.389 -0.056 5.576 525 HE2 MET 82 HE2 MET 82 2.671 1.255 4.431 526 HE3 MET 82 HE3 MET 82 2.903 1.525 6.156 527 H GLU 83 HN GLU 83 6.346 -3.791 8.883 528 HA GLU 83 HA GLU 83 9.121 -4.505 8.193 529 HB2 GLU 83 HB2 GLU 83 7.610 -5.031 10.612 530 HB3 GLU 83 HB1 GLU 83 8.181 -6.521 9.876 531 HG2 GLU 83 HG2 GLU 83 9.809 -4.178 10.808 532 HG3 GLU 83 HG1 GLU 83 9.827 -5.832 11.418 533 H GLU 84 HN GLU 84 9.214 -7.018 7.867 534 HA GLU 84 HA GLU 84 7.658 -7.580 5.560 535 HB2 GLU 84 HB2 GLU 84 9.840 -8.512 5.647 536 HB3 GLU 84 HB1 GLU 84 9.563 -9.210 7.234 537 HG2 GLU 84 HG2 GLU 84 9.572 -10.964 5.637 538 HG3 GLU 84 HG1 GLU 84 7.919 -10.755 6.206 539 H GLU 85 HN GLU 85 5.852 -8.765 5.298 540 HA GLU 85 HA GLU 85 3.979 -9.963 5.745 541 HB2 GLU 85 HB2 GLU 85 5.754 -10.904 7.952 542 HB3 GLU 85 HB1 GLU 85 4.039 -11.275 8.038 543 HG2 GLU 85 HG2 GLU 85 5.591 -11.883 5.564 544 HG3 GLU 85 HG1 GLU 85 5.663 -12.963 6.955 545 H ASP 86 HN ASP 86 4.535 -7.202 6.786 546 HA ASP 86 HA ASP 86 3.048 -6.945 9.212 547 HB2 ASP 86 HB2 ASP 86 4.752 -5.295 7.873 548 HB3 ASP 86 HB1 ASP 86 3.197 -4.579 7.463 549 H VAL 87 HN VAL 87 1.023 -5.671 9.350 550 HA VAL 87 HA VAL 87 -0.788 -6.556 7.214 551 HB VAL 87 HB VAL 87 -1.443 -5.785 10.063 552 HG11 VAL 87 HG11 VAL 87 -3.294 -5.336 8.534 553 HG12 VAL 87 HG12 VAL 87 -3.661 -6.689 9.606 554 HG13 VAL 87 HG13 VAL 87 -3.201 -6.991 7.930 555 HG21 VAL 87 HG21 VAL 87 -1.344 -8.505 8.766 556 HG22 VAL 87 HG22 VAL 87 -1.832 -8.160 10.424 557 HG23 VAL 87 HG23 VAL 87 -0.170 -7.866 9.917 558 H ILE 88 HN ILE 88 -2.026 -5.174 6.105 559 HA ILE 88 HA ILE 88 -2.382 -2.438 7.005 560 HB ILE 88 HB ILE 88 -0.375 -2.146 5.723 561 HG12 ILE 88 HG12 ILE 88 -2.635 -1.370 3.876 562 HG13 ILE 88 HG11 ILE 88 -2.292 -0.533 5.386 563 HG21 ILE 88 HG21 ILE 88 -1.729 -3.654 3.496 564 HG22 ILE 88 HG22 ILE 88 -0.381 -4.227 4.477 565 HG23 ILE 88 HG23 ILE 88 -0.163 -2.857 3.387 566 HD11 ILE 88 HD11 ILE 88 -1.348 0.622 3.458 567 HD12 ILE 88 HD12 ILE 88 -0.386 -0.804 3.072 568 HD13 ILE 88 HD13 ILE 88 -0.092 0.080 4.571 569 H GLU 89 HN GLU 89 -4.375 -1.725 6.504 570 HA GLU 89 HA GLU 89 -5.953 -3.423 4.692 571 HB2 GLU 89 HB2 GLU 89 -6.713 -1.891 7.159 572 HB3 GLU 89 HB1 GLU 89 -7.922 -2.378 5.980 573 HG2 GLU 89 HG2 GLU 89 -7.150 -4.728 6.265 574 HG3 GLU 89 HG1 GLU 89 -6.115 -4.168 7.580 575 H VAL 90 HN VAL 90 -7.489 -2.459 3.350 576 HA VAL 90 HA VAL 90 -7.165 0.417 2.894 577 HB VAL 90 HB VAL 90 -5.790 -0.620 1.216 578 HG11 VAL 90 HG11 VAL 90 -8.179 -2.315 0.502 579 HG12 VAL 90 HG12 VAL 90 -6.693 -2.874 1.270 580 HG13 VAL 90 HG13 VAL 90 -6.654 -2.264 -0.385 581 HG21 VAL 90 HG21 VAL 90 -6.853 0.166 -0.822 582 HG22 VAL 90 HG22 VAL 90 -7.146 1.287 0.506 583 HG23 VAL 90 HG23 VAL 90 -8.420 0.185 -0.014 584 H TYR 91 HN TYR 91 -9.057 1.429 2.868 585 HA TYR 91 HA TYR 91 -11.468 -0.133 2.221 586 HB2 TYR 91 HB2 TYR 91 -11.041 1.872 4.435 587 HB3 TYR 91 HB1 TYR 91 -12.648 1.419 3.871 588 HD1 TYR 91 HD1 TYR 91 -13.400 -0.955 4.107 589 HD2 TYR 91 HD2 TYR 91 -9.811 0.464 5.900 590 HE1 TYR 91 HE1 TYR 91 -13.385 -2.904 5.602 591 HE2 TYR 91 HE2 TYR 91 -9.785 -1.482 7.400 592 HH TYR 91 HH TYR 91 -10.675 -3.774 7.472 593 H GLN 92 HN GLN 92 -13.284 1.179 1.467 594 HA GLN 92 HA GLN 92 -12.380 3.077 -0.491 595 HB2 GLN 92 HB2 GLN 92 -14.121 1.363 -0.943 596 HB3 GLN 92 HB1 GLN 92 -15.187 2.188 0.183 597 HG2 GLN 92 HG2 GLN 92 -15.274 4.122 -1.217 598 HG3 GLN 92 HG1 GLN 92 -14.051 3.450 -2.297 599 HE21 GLN 92 HE21 GLN 92 -17.346 3.208 -1.198 600 HE22 GLN 92 HE22 GLN 92 -17.928 2.271 -2.527 601 H GLU 93 HN GLU 93 -12.512 5.233 -0.436 602 HA GLU 93 HA GLU 93 -13.250 6.521 2.028 603 HB2 GLU 93 HB2 GLU 93 -12.144 7.475 -0.598 604 HB3 GLU 93 HB1 GLU 93 -12.720 8.625 0.601 605 HG2 GLU 93 HG2 GLU 93 -10.715 6.525 1.321 606 HG3 GLU 93 HG1 GLU 93 -10.223 8.034 0.554 607 H GLN 94 HN GLN 94 -14.766 8.322 2.146 608 HA GLN 94 HA GLN 94 -17.242 7.659 0.812 609 HB2 GLN 94 HB2 GLN 94 -17.000 8.315 3.257 610 HB3 GLN 94 HB1 GLN 94 -16.733 9.960 2.698 611 HG2 GLN 94 HG2 GLN 94 -18.951 9.839 1.554 612 HG3 GLN 94 HG1 GLN 94 -19.208 8.291 2.357 613 HE21 GLN 94 HE21 GLN 94 -20.980 9.058 3.493 614 HE22 GLN 94 HE22 GLN 94 -20.820 10.158 4.817 615 H THR 95 HN THR 95 -14.644 9.719 0.194 616 HA THR 95 HA THR 95 -15.998 11.920 -0.966 617 HB THR 95 HB THR 95 -13.717 12.252 -2.125 618 HG1 THR 95 HG1 THR 95 -12.096 10.929 -1.512 619 HG21 THR 95 HG21 THR 95 -14.463 13.445 -0.094 620 HG22 THR 95 HG22 THR 95 -12.730 13.119 -0.082 621 HG23 THR 95 HG23 THR 95 -13.821 12.131 0.891 622 H GLY 96 HN GLY 96 -14.260 9.185 -2.472 623 HA2 GLY 96 HA2 GLY 96 -15.781 8.132 -4.269 624 HA3 GLY 96 HA1 GLY 96 -15.708 9.741 -4.971 625 H GLY 97 HN GLY 97 -13.187 10.501 -4.793 626 HA2 GLY 97 HA2 GLY 97 -11.130 8.692 -5.202 627 HA3 GLY 97 HA1 GLY 97 -11.872 8.952 -6.775 628 H1 ASP 195 HN ASP 195 -6.717 -20.329 -5.109 629 HA ASP 195 HA ASP 195 -8.391 -19.392 -3.436 630 HB2 ASP 195 HB2 ASP 195 -6.496 -20.158 -1.685 631 HB3 ASP 195 HB1 ASP 195 -6.031 -18.471 -1.891 632 H THR 196 HN THR 196 -6.986 -16.833 -2.444 633 HA THR 196 HA THR 196 -6.556 -15.754 -5.164 634 HB THR 196 HB THR 196 -7.402 -14.050 -2.833 635 HG1 THR 196 HG1 THR 196 -8.840 -16.028 -4.012 636 HG21 THR 196 HG21 THR 196 -8.267 -12.596 -4.572 637 HG22 THR 196 HG22 THR 196 -7.897 -13.795 -5.811 638 HG23 THR 196 HG23 THR 196 -6.588 -12.996 -4.942 639 H ALA 197 HN ALA 197 -4.541 -15.235 -5.541 640 HA ALA 197 HA ALA 197 -2.918 -14.087 -3.386 641 HB1 ALA 197 HB1 ALA 197 -0.965 -15.298 -4.196 642 HB2 ALA 197 HB2 ALA 197 -1.944 -16.060 -5.447 643 HB3 ALA 197 HB3 ALA 197 -2.250 -16.422 -3.750 644 H GLY 198 HN GLY 198 -2.133 -12.113 -3.926 645 HA2 GLY 198 HA2 GLY 198 -1.695 -11.644 -6.803 646 HA3 GLY 198 HA1 GLY 198 -2.376 -10.409 -5.752 647 H CYS 199 HN CYS 199 0.431 -11.152 -7.265 648 HA CYS 199 HA CYS 199 1.952 -9.922 -5.052 649 HB2 CYS 199 HB2 CYS 199 3.084 -11.781 -7.161 650 HB3 CYS 199 HB1 CYS 199 3.937 -11.118 -5.771 651 HG CYS 199 HG CYS 199 1.768 -12.476 -4.128 652 H ILE 200 HN ILE 200 2.602 -7.940 -5.475 653 HA ILE 200 HA ILE 200 3.204 -7.206 -8.254 654 HB ILE 200 HB ILE 200 1.103 -6.224 -7.933 655 HG12 ILE 200 HG12 ILE 200 3.001 -3.990 -7.196 656 HG13 ILE 200 HG11 ILE 200 2.922 -4.697 -8.808 657 HG21 ILE 200 HG21 ILE 200 0.983 -6.543 -5.497 658 HG22 ILE 200 HG22 ILE 200 0.418 -4.952 -6.004 659 HG23 ILE 200 HG23 ILE 200 2.016 -5.129 -5.282 660 HD11 ILE 200 HD11 ILE 200 0.672 -3.315 -7.368 661 HD12 ILE 200 HD12 ILE 200 0.581 -4.036 -8.977 662 HD13 ILE 200 HD13 ILE 200 1.635 -2.650 -8.691 663 H VAL 201 HN VAL 201 5.084 -6.118 -8.582 664 HA VAL 201 HA VAL 201 6.466 -5.141 -6.176 665 HB VAL 201 HB VAL 201 7.598 -7.134 -7.117 666 HG11 VAL 201 HG11 VAL 201 8.796 -6.977 -9.250 667 HG12 VAL 201 HG12 VAL 201 8.022 -5.425 -9.563 668 HG13 VAL 201 HG13 VAL 201 7.048 -6.889 -9.462 669 HG21 VAL 201 HG21 VAL 201 8.855 -5.405 -5.907 670 HG22 VAL 201 HG22 VAL 201 9.201 -4.603 -7.438 671 HG23 VAL 201 HG23 VAL 201 9.840 -6.216 -7.127 672 H ILE 202 HN ILE 202 7.094 -3.078 -6.185 673 HA ILE 202 HA ILE 202 6.748 -1.541 -8.671 674 HB ILE 202 HB ILE 202 4.921 -1.119 -7.104 675 HG12 ILE 202 HG12 ILE 202 6.843 1.210 -7.250 676 HG13 ILE 202 HG11 ILE 202 5.756 0.719 -8.545 677 HG21 ILE 202 HG21 ILE 202 7.112 -0.281 -5.212 678 HG22 ILE 202 HG22 ILE 202 6.012 -1.646 -5.015 679 HG23 ILE 202 HG23 ILE 202 5.393 0.004 -4.954 680 HD11 ILE 202 HD11 ILE 202 5.258 2.388 -6.258 681 HD12 ILE 202 HD12 ILE 202 4.121 1.038 -6.315 682 HD13 ILE 202 HD13 ILE 202 4.276 2.122 -7.697 683 H SEP 203 HN SEP 203 8.336 -0.090 -9.240 684 HA SEP 203 HA SEP 203 10.548 0.187 -7.317 685 HB2 SEP 203 HB1 SEP 203 10.588 0.145 -10.343 686 HB3 SEP 203 HB2 SEP 203 11.181 -1.126 -9.273 687 H ASP 204 HN ASP 204 10.686 2.101 -6.503 688 HA ASP 204 HA ASP 204 10.274 4.443 -8.185 689 HB2 ASP 204 HB2 ASP 204 8.254 4.111 -6.906 690 HB3 ASP 204 HB1 ASP 204 9.156 4.142 -5.427 691 H SEP 205 HN SEP 205 11.762 6.021 -7.959 692 HA SEP 205 HA SEP 205 13.643 5.816 -5.709 693 HB2 SEP 205 HB1 SEP 205 14.661 6.820 -8.250 694 HB3 SEP 205 HB2 SEP 205 14.365 5.087 -8.170 695 H GLU 206 HN GLU 206 14.254 7.706 -4.730 696 HA GLU 206 HA GLU 206 12.848 10.097 -5.020 697 HB2 GLU 206 HB2 GLU 206 14.133 9.703 -3.012 698 HB3 GLU 206 HB1 GLU 206 15.621 9.560 -3.934 699 HG2 GLU 206 HG2 GLU 206 15.538 11.671 -2.763 700 HG3 GLU 206 HG1 GLU 206 15.520 11.922 -4.505 Start of MODEL 11 1 H1 TYR 21 HN TYR 21 13.807 -7.573 0.719 2 HA TYR 21 HA TYR 21 12.388 -5.575 -0.740 3 HB2 TYR 21 HB2 TYR 21 11.996 -8.472 -1.489 4 HB3 TYR 21 HB1 TYR 21 10.726 -7.277 -1.718 5 HD1 TYR 21 HD1 TYR 21 10.692 -5.936 -3.638 6 HD2 TYR 21 HD2 TYR 21 14.241 -8.062 -2.647 7 HE1 TYR 21 HE1 TYR 21 11.661 -5.328 -5.813 8 HE2 TYR 21 HE2 TYR 21 15.219 -7.454 -4.817 9 HH TYR 21 HH TYR 21 14.009 -5.058 -6.778 10 H ILE 22 HN ILE 22 10.568 -4.998 0.331 11 HA ILE 22 HA ILE 22 9.902 -6.569 2.726 12 HB ILE 22 HB ILE 22 9.084 -3.734 2.052 13 HG12 ILE 22 HG12 ILE 22 11.518 -3.907 2.371 14 HG13 ILE 22 HG11 ILE 22 10.763 -3.014 3.687 15 HG21 ILE 22 HG21 ILE 22 8.878 -5.293 4.629 16 HG22 ILE 22 HG22 ILE 22 7.541 -4.850 3.570 17 HG23 ILE 22 HG23 ILE 22 8.447 -3.599 4.417 18 HD11 ILE 22 HD11 ILE 22 11.769 -5.848 3.743 19 HD12 ILE 22 HD12 ILE 22 10.835 -5.106 5.040 20 HD13 ILE 22 HD13 ILE 22 12.413 -4.454 4.612 21 H LYS 23 HN LYS 23 8.257 -7.937 2.452 22 HA LYS 23 HA LYS 23 6.228 -7.295 0.435 23 HB2 LYS 23 HB2 LYS 23 7.391 -9.487 0.324 24 HB3 LYS 23 HB1 LYS 23 6.703 -9.896 1.890 25 HG2 LYS 23 HG2 LYS 23 4.440 -9.356 0.685 26 HG3 LYS 23 HG1 LYS 23 5.386 -9.693 -0.767 27 HD2 LYS 23 HD2 LYS 23 4.641 -11.803 -0.308 28 HD3 LYS 23 HD1 LYS 23 6.123 -11.806 0.649 29 HE2 LYS 23 HE2 LYS 23 3.380 -11.140 1.709 30 HE3 LYS 23 HE1 LYS 23 4.170 -12.704 1.870 31 HZ1 LYS 23 HZ1 LYS 23 4.568 -11.616 3.871 32 HZ2 LYS 23 HZ2 LYS 23 4.921 -10.137 3.124 33 HZ3 LYS 23 HZ3 LYS 23 6.021 -11.417 3.016 34 H LEU 24 HN LEU 24 4.686 -6.080 1.259 35 HA LEU 24 HA LEU 24 3.694 -6.543 3.966 36 HB2 LEU 24 HB2 LEU 24 2.788 -4.460 1.976 37 HB3 LEU 24 HB1 LEU 24 2.516 -4.467 3.709 38 HG LEU 24 HG LEU 24 5.336 -4.440 2.771 39 HD11 LEU 24 HD11 LEU 24 3.528 -2.033 2.672 40 HD12 LEU 24 HD12 LEU 24 4.311 -2.812 1.297 41 HD13 LEU 24 HD13 LEU 24 5.286 -2.003 2.525 42 HD21 LEU 24 HD21 LEU 24 5.590 -3.000 4.739 43 HD22 LEU 24 HD22 LEU 24 4.824 -4.534 5.146 44 HD23 LEU 24 HD23 LEU 24 3.851 -3.073 5.010 45 H LYS 25 HN LYS 25 1.547 -7.087 4.423 46 HA LYS 25 HA LYS 25 0.185 -8.448 2.209 47 HB2 LYS 25 HB2 LYS 25 -0.469 -8.688 5.145 48 HB3 LYS 25 HB1 LYS 25 -0.923 -9.779 3.843 49 HG2 LYS 25 HG2 LYS 25 1.476 -10.344 3.555 50 HG3 LYS 25 HG1 LYS 25 1.832 -9.358 4.973 51 HD2 LYS 25 HD2 LYS 25 1.652 -11.427 5.944 52 HD3 LYS 25 HD1 LYS 25 -0.017 -10.868 6.078 53 HE2 LYS 25 HE2 LYS 25 -0.736 -12.222 4.317 54 HE3 LYS 25 HE1 LYS 25 0.900 -12.434 3.691 55 HZ1 LYS 25 HZ1 LYS 25 -0.222 -13.617 6.169 56 HZ2 LYS 25 HZ2 LYS 25 1.409 -13.719 5.723 57 HZ3 LYS 25 HZ3 LYS 25 0.217 -14.440 4.755 58 H VAL 26 HN VAL 26 -1.279 -7.234 1.221 59 HA VAL 26 HA VAL 26 -2.729 -5.183 2.705 60 HB VAL 26 HB VAL 26 -3.153 -5.827 -0.205 61 HG11 VAL 26 HG11 VAL 26 -4.732 -4.309 0.890 62 HG12 VAL 26 HG12 VAL 26 -3.783 -3.481 -0.341 63 HG13 VAL 26 HG13 VAL 26 -3.394 -3.263 1.364 64 HG21 VAL 26 HG21 VAL 26 -1.017 -4.018 0.925 65 HG22 VAL 26 HG22 VAL 26 -1.427 -4.198 -0.780 66 HG23 VAL 26 HG23 VAL 26 -0.742 -5.557 0.111 67 H ILE 27 HN ILE 27 -4.382 -5.904 3.846 68 HA ILE 27 HA ILE 27 -5.915 -8.206 2.974 69 HB ILE 27 HB ILE 27 -6.324 -6.497 5.434 70 HG12 ILE 27 HG12 ILE 27 -4.072 -7.488 5.410 71 HG13 ILE 27 HG11 ILE 27 -5.079 -8.219 6.655 72 HG21 ILE 27 HG21 ILE 27 -7.526 -8.456 6.298 73 HG22 ILE 27 HG22 ILE 27 -7.299 -9.268 4.749 74 HG23 ILE 27 HG23 ILE 27 -8.282 -7.805 4.843 75 HD11 ILE 27 HD11 ILE 27 -4.449 -9.417 3.968 76 HD12 ILE 27 HD12 ILE 27 -5.445 -10.156 5.221 77 HD13 ILE 27 HD13 ILE 27 -3.727 -9.878 5.509 78 H GLY 28 HN GLY 28 -7.690 -8.072 1.814 79 HA2 GLY 28 HA2 GLY 28 -8.973 -5.460 1.456 80 HA3 GLY 28 HA1 GLY 28 -9.212 -6.883 0.452 81 H GLN 29 HN GLN 29 -11.437 -5.630 1.090 82 HA GLN 29 HA GLN 29 -12.605 -6.342 3.563 83 HB2 GLN 29 HB2 GLN 29 -13.417 -4.517 2.079 84 HB3 GLN 29 HB1 GLN 29 -14.018 -5.735 0.964 85 HG2 GLN 29 HG2 GLN 29 -15.799 -4.857 2.363 86 HG3 GLN 29 HG1 GLN 29 -15.536 -6.574 2.665 87 HE21 GLN 29 HE21 GLN 29 -14.610 -7.217 4.620 88 HE22 GLN 29 HE22 GLN 29 -14.543 -6.167 5.995 89 H ASP 30 HN ASP 30 -12.484 -7.956 0.432 90 HA ASP 30 HA ASP 30 -14.275 -10.040 1.344 91 HB2 ASP 30 HB2 ASP 30 -13.987 -11.030 -0.884 92 HB3 ASP 30 HB1 ASP 30 -14.454 -9.338 -0.981 93 H SER 31 HN SER 31 -11.596 -9.532 2.559 94 HA SER 31 HA SER 31 -10.000 -10.738 3.600 95 HB2 SER 31 HB2 SER 31 -11.405 -13.201 2.561 96 HB3 SER 31 HB1 SER 31 -10.329 -13.097 3.956 97 HG SER 31 HG SER 31 -12.927 -12.004 3.641 98 H SER 32 HN SER 32 -9.799 -10.050 0.658 99 HA SER 32 HA SER 32 -8.121 -12.094 -0.470 100 HB2 SER 32 HB2 SER 32 -7.632 -9.783 -1.909 101 HB3 SER 32 HB1 SER 32 -8.892 -10.964 -2.269 102 HG SER 32 HG SER 32 -10.375 -9.646 -1.542 103 H GLU 33 HN GLU 33 -5.957 -12.272 -0.322 104 HA GLU 33 HA GLU 33 -4.555 -10.199 1.209 105 HB2 GLU 33 HB2 GLU 33 -4.023 -13.142 0.882 106 HB3 GLU 33 HB1 GLU 33 -2.842 -12.040 1.575 107 HG2 GLU 33 HG2 GLU 33 -4.339 -11.484 3.370 108 HG3 GLU 33 HG1 GLU 33 -5.627 -12.441 2.640 109 H ILE 34 HN ILE 34 -3.585 -8.820 -0.098 110 HA ILE 34 HA ILE 34 -2.389 -9.783 -2.588 111 HB ILE 34 HB ILE 34 -2.484 -6.910 -1.684 112 HG12 ILE 34 HG12 ILE 34 -4.782 -7.849 -1.630 113 HG13 ILE 34 HG11 ILE 34 -4.581 -6.627 -2.880 114 HG21 ILE 34 HG21 ILE 34 -2.303 -8.200 -4.402 115 HG22 ILE 34 HG22 ILE 34 -1.000 -7.388 -3.533 116 HG23 ILE 34 HG23 ILE 34 -2.390 -6.463 -4.101 117 HD11 ILE 34 HD11 ILE 34 -4.570 -9.605 -3.316 118 HD12 ILE 34 HD12 ILE 34 -4.400 -8.374 -4.567 119 HD13 ILE 34 HD13 ILE 34 -5.907 -8.511 -3.662 120 H HIS 35 HN HIS 35 -0.265 -10.073 -2.794 121 HA HIS 35 HA HIS 35 1.461 -9.386 -0.541 122 HB2 HIS 35 HB2 HIS 35 2.058 -11.054 -2.999 123 HB3 HIS 35 HB1 HIS 35 3.084 -10.894 -1.581 124 HD2 HIS 35 HD2 HIS 35 2.520 -12.577 0.488 125 HE1 HIS 35 HE1 HIS 35 -0.915 -14.324 -1.256 126 HE2 HIS 35 HE2 HIS 35 0.730 -14.444 0.670 127 H PHE 36 HN PHE 36 1.869 -7.205 -0.784 128 HA PHE 36 HA PHE 36 2.923 -6.299 -3.358 129 HB2 PHE 36 HB2 PHE 36 1.157 -5.068 -1.738 130 HB3 PHE 36 HB1 PHE 36 2.650 -4.382 -1.104 131 HD1 PHE 36 HD1 PHE 36 4.253 -4.176 -3.589 132 HD2 PHE 36 HD2 PHE 36 0.153 -3.299 -2.848 133 HE1 PHE 36 HE1 PHE 36 4.266 -2.559 -5.441 134 HE2 PHE 36 HE2 PHE 36 0.165 -1.680 -4.698 135 HZ PHE 36 HZ PHE 36 2.219 -1.312 -6.000 136 H LYS 37 HN LYS 37 5.017 -6.537 -3.637 137 HA LYS 37 HA LYS 37 6.799 -6.408 -1.315 138 HB2 LYS 37 HB2 LYS 37 8.479 -7.200 -3.210 139 HB3 LYS 37 HB1 LYS 37 7.425 -8.336 -2.383 140 HG2 LYS 37 HG2 LYS 37 5.789 -7.966 -4.296 141 HG3 LYS 37 HG1 LYS 37 7.129 -7.182 -5.134 142 HD2 LYS 37 HD2 LYS 37 7.283 -9.967 -3.997 143 HD3 LYS 37 HD1 LYS 37 6.791 -9.624 -5.657 144 HE2 LYS 37 HE2 LYS 37 8.923 -8.597 -6.121 145 HE3 LYS 37 HE1 LYS 37 9.414 -8.771 -4.437 146 HZ1 LYS 37 HZ1 LYS 37 10.361 -10.484 -5.894 147 HZ2 LYS 37 HZ2 LYS 37 8.806 -11.036 -6.262 148 HZ3 LYS 37 HZ3 LYS 37 9.390 -11.148 -4.680 149 H VAL 38 HN VAL 38 7.651 -4.521 -0.894 150 HA VAL 38 HA VAL 38 8.206 -2.686 -3.134 151 HB VAL 38 HB VAL 38 7.897 -0.830 -1.630 152 HG11 VAL 38 HG11 VAL 38 5.903 -1.791 -2.703 153 HG12 VAL 38 HG12 VAL 38 5.533 -1.028 -1.155 154 HG13 VAL 38 HG13 VAL 38 5.632 -2.786 -1.269 155 HG21 VAL 38 HG21 VAL 38 8.806 -1.859 0.405 156 HG22 VAL 38 HG22 VAL 38 7.360 -2.862 0.539 157 HG23 VAL 38 HG23 VAL 38 7.236 -1.109 0.700 158 H LYS 39 HN LYS 39 9.919 -1.021 -2.516 159 HA LYS 39 HA LYS 39 12.184 -2.392 -1.226 160 HB2 LYS 39 HB2 LYS 39 11.994 -0.726 -3.696 161 HB3 LYS 39 HB1 LYS 39 13.463 -0.619 -2.736 162 HG2 LYS 39 HG2 LYS 39 13.873 -2.970 -2.992 163 HG3 LYS 39 HG1 LYS 39 12.314 -3.194 -3.788 164 HD2 LYS 39 HD2 LYS 39 14.053 -3.164 -5.452 165 HD3 LYS 39 HD1 LYS 39 13.078 -1.705 -5.614 166 HE2 LYS 39 HE2 LYS 39 14.812 -0.506 -4.263 167 HE3 LYS 39 HE1 LYS 39 15.804 -1.956 -4.357 168 HZ1 LYS 39 HZ1 LYS 39 14.798 -0.473 -6.726 169 HZ2 LYS 39 HZ2 LYS 39 15.907 -1.751 -6.720 170 HZ3 LYS 39 HZ3 LYS 39 16.341 -0.261 -6.053 171 H MET 40 HN MET 40 13.938 -0.378 -0.893 172 HA MET 40 HA MET 40 12.556 1.289 1.072 173 HB2 MET 40 HB2 MET 40 14.717 -0.173 1.448 174 HB3 MET 40 HB1 MET 40 15.528 1.235 0.781 175 HG2 MET 40 HG2 MET 40 15.501 1.276 3.214 176 HG3 MET 40 HG1 MET 40 14.605 2.630 2.532 177 HE1 MET 40 HE1 MET 40 13.021 -1.028 2.580 178 HE2 MET 40 HE2 MET 40 12.551 -1.117 4.277 179 HE3 MET 40 HE3 MET 40 14.255 -1.013 3.840 180 H THR 41 HN THR 41 14.308 1.510 -1.926 181 HA THR 41 HA THR 41 14.843 4.315 -1.822 182 HB THR 41 HB THR 41 16.020 2.605 -3.324 183 HG1 THR 41 HG1 THR 41 16.189 4.208 -5.050 184 HG21 THR 41 HG21 THR 41 14.138 1.483 -4.328 185 HG22 THR 41 HG22 THR 41 15.007 2.344 -5.602 186 HG23 THR 41 HG23 THR 41 13.486 3.003 -4.967 187 H THR 42 HN THR 42 12.177 2.344 -2.720 188 HA THR 42 HA THR 42 10.820 4.255 -4.347 189 HB THR 42 HB THR 42 9.238 2.114 -3.089 190 HG1 THR 42 HG1 THR 42 11.397 1.440 -4.821 191 HG21 THR 42 HG21 THR 42 9.883 2.958 -5.911 192 HG22 THR 42 HG22 THR 42 8.395 3.287 -5.003 193 HG23 THR 42 HG23 THR 42 8.780 1.635 -5.496 194 H HIS 43 HN HIS 43 9.483 5.805 -3.743 195 HA HIS 43 HA HIS 43 8.874 6.182 -0.931 196 HB2 HIS 43 HB2 HIS 43 7.628 8.259 -2.168 197 HB3 HIS 43 HB1 HIS 43 9.313 8.290 -1.663 198 HD2 HIS 43 HD2 HIS 43 11.117 8.656 -3.658 199 HE1 HIS 43 HE1 HIS 43 8.434 8.132 -6.876 200 HE2 HIS 43 HE2 HIS 43 10.798 8.754 -6.226 201 H LEU 44 HN LEU 44 6.714 6.374 -0.140 202 HA LEU 44 HA LEU 44 4.958 4.460 -1.281 203 HB2 LEU 44 HB2 LEU 44 4.536 6.428 0.955 204 HB3 LEU 44 HB1 LEU 44 3.390 5.177 0.517 205 HG LEU 44 HG LEU 44 6.159 4.806 1.648 206 HD11 LEU 44 HD11 LEU 44 4.972 3.694 3.454 207 HD12 LEU 44 HD12 LEU 44 3.435 4.007 2.652 208 HD13 LEU 44 HD13 LEU 44 4.406 5.349 3.249 209 HD21 LEU 44 HD21 LEU 44 5.664 2.375 1.542 210 HD22 LEU 44 HD22 LEU 44 5.885 3.119 -0.041 211 HD23 LEU 44 HD23 LEU 44 4.263 2.740 0.538 212 H LYS 45 HN LYS 45 5.509 7.570 -2.218 213 HA LYS 45 HA LYS 45 2.934 8.590 -2.704 214 HB2 LYS 45 HB2 LYS 45 4.901 10.007 -2.861 215 HB3 LYS 45 HB1 LYS 45 5.536 9.039 -4.183 216 HG2 LYS 45 HG2 LYS 45 4.618 11.081 -5.054 217 HG3 LYS 45 HG1 LYS 45 3.606 9.729 -5.568 218 HD2 LYS 45 HD2 LYS 45 1.977 10.245 -3.864 219 HD3 LYS 45 HD1 LYS 45 3.017 11.504 -3.200 220 HE2 LYS 45 HE2 LYS 45 2.850 12.699 -5.378 221 HE3 LYS 45 HE1 LYS 45 1.683 11.487 -5.903 222 HZ1 LYS 45 HZ1 LYS 45 1.385 13.412 -3.664 223 HZ2 LYS 45 HZ2 LYS 45 0.312 12.125 -3.940 224 HZ3 LYS 45 HZ3 LYS 45 0.484 13.352 -5.097 225 H LYS 46 HN LYS 46 5.127 6.688 -4.748 226 HA LYS 46 HA LYS 46 3.251 6.495 -6.902 227 HB2 LYS 46 HB2 LYS 46 5.842 6.329 -6.969 228 HB3 LYS 46 HB1 LYS 46 5.588 4.646 -6.533 229 HG2 LYS 46 HG2 LYS 46 4.056 4.501 -8.543 230 HG3 LYS 46 HG1 LYS 46 4.697 6.075 -9.018 231 HD2 LYS 46 HD2 LYS 46 6.991 5.064 -8.847 232 HD3 LYS 46 HD1 LYS 46 6.209 3.500 -8.679 233 HE2 LYS 46 HE2 LYS 46 6.537 3.521 -10.937 234 HE3 LYS 46 HE1 LYS 46 4.955 4.291 -10.856 235 HZ1 LYS 46 HZ1 LYS 46 5.963 6.425 -11.032 236 HZ2 LYS 46 HZ2 LYS 46 6.549 5.464 -12.293 237 HZ3 LYS 46 HZ3 LYS 46 7.521 5.767 -10.937 238 H LEU 47 HN LEU 47 3.898 4.706 -4.030 239 HA LEU 47 HA LEU 47 2.890 2.188 -4.740 240 HB2 LEU 47 HB2 LEU 47 3.456 3.639 -2.247 241 HB3 LEU 47 HB1 LEU 47 2.207 2.419 -2.105 242 HG LEU 47 HG LEU 47 4.378 1.516 -1.477 243 HD11 LEU 47 HD11 LEU 47 3.508 0.369 -4.122 244 HD12 LEU 47 HD12 LEU 47 2.670 0.094 -2.594 245 HD13 LEU 47 HD13 LEU 47 4.328 -0.468 -2.805 246 HD21 LEU 47 HD21 LEU 47 5.217 2.177 -4.296 247 HD22 LEU 47 HD22 LEU 47 6.169 1.270 -3.120 248 HD23 LEU 47 HD23 LEU 47 5.795 2.970 -2.831 249 H LYS 48 HN LYS 48 1.295 5.052 -3.444 250 HA LYS 48 HA LYS 48 -1.241 3.886 -3.078 251 HB2 LYS 48 HB2 LYS 48 -0.461 6.766 -3.528 252 HB3 LYS 48 HB1 LYS 48 -2.060 6.234 -3.025 253 HG2 LYS 48 HG2 LYS 48 -1.048 5.232 -1.002 254 HG3 LYS 48 HG1 LYS 48 0.511 5.897 -1.494 255 HD2 LYS 48 HD2 LYS 48 -0.417 7.408 0.090 256 HD3 LYS 48 HD1 LYS 48 -0.574 8.167 -1.494 257 HE2 LYS 48 HE2 LYS 48 -2.912 7.406 -1.605 258 HE3 LYS 48 HE1 LYS 48 -2.745 6.694 -0.003 259 HZ1 LYS 48 HZ1 LYS 48 -3.793 8.962 -0.131 260 HZ2 LYS 48 HZ2 LYS 48 -2.259 9.569 -0.519 261 HZ3 LYS 48 HZ3 LYS 48 -2.517 8.800 0.969 262 H GLU 49 HN GLU 49 -0.015 5.906 -5.762 263 HA GLU 49 HA GLU 49 -2.406 5.789 -7.252 264 HB2 GLU 49 HB2 GLU 49 -0.928 6.444 -9.205 265 HB3 GLU 49 HB1 GLU 49 -0.928 7.528 -7.821 266 HG2 GLU 49 HG2 GLU 49 1.232 7.084 -7.292 267 HG3 GLU 49 HG1 GLU 49 1.152 5.426 -7.887 268 H SER 50 HN SER 50 0.440 3.687 -7.240 269 HA SER 50 HA SER 50 -0.234 2.211 -9.541 270 HB2 SER 50 HB2 SER 50 1.350 1.323 -7.121 271 HB3 SER 50 HB1 SER 50 1.342 0.526 -8.696 272 HG SER 50 HG SER 50 2.393 3.045 -7.972 273 H TYR 51 HN TYR 51 -1.116 1.790 -6.132 274 HA TYR 51 HA TYR 51 -2.387 -0.716 -6.480 275 HB2 TYR 51 HB2 TYR 51 -1.701 0.432 -4.277 276 HB3 TYR 51 HB1 TYR 51 -3.228 1.300 -4.406 277 HD1 TYR 51 HD1 TYR 51 -1.792 -2.128 -4.292 278 HD2 TYR 51 HD2 TYR 51 -5.216 0.313 -3.649 279 HE1 TYR 51 HE1 TYR 51 -2.951 -4.040 -3.272 280 HE2 TYR 51 HE2 TYR 51 -6.387 -1.592 -2.625 281 HH TYR 51 HH TYR 51 -6.195 -4.197 -2.826 282 H CYS 52 HN CYS 52 -3.397 2.584 -6.958 283 HA CYS 52 HA CYS 52 -6.180 2.144 -7.145 284 HB2 CYS 52 HB2 CYS 52 -4.536 4.256 -8.563 285 HB3 CYS 52 HB1 CYS 52 -6.269 4.308 -8.265 286 HG CYS 52 HG CYS 52 -3.907 4.328 -5.783 287 H GLN 53 HN GLN 53 -3.575 2.159 -9.547 288 HA GLN 53 HA GLN 53 -5.156 1.706 -11.832 289 HB2 GLN 53 HB2 GLN 53 -2.328 0.736 -11.374 290 HB3 GLN 53 HB1 GLN 53 -3.104 1.019 -12.923 291 HG2 GLN 53 HG2 GLN 53 -3.096 3.374 -12.582 292 HG3 GLN 53 HG1 GLN 53 -2.578 3.184 -10.905 293 HE21 GLN 53 HE21 GLN 53 -1.304 4.683 -13.038 294 HE22 GLN 53 HE22 GLN 53 0.284 4.022 -13.218 295 H ARG 54 HN ARG 54 -3.641 -0.454 -9.516 296 HA ARG 54 HA ARG 54 -4.159 -2.883 -10.841 297 HB2 ARG 54 HB2 ARG 54 -2.555 -2.470 -8.917 298 HB3 ARG 54 HB1 ARG 54 -3.955 -2.498 -7.854 299 HG2 ARG 54 HG2 ARG 54 -2.972 -4.649 -7.778 300 HG3 ARG 54 HG1 ARG 54 -4.456 -4.792 -8.723 301 HD2 ARG 54 HD2 ARG 54 -3.023 -4.507 -10.783 302 HD3 ARG 54 HD1 ARG 54 -1.623 -4.693 -9.728 303 HE ARG 54 HE ARG 54 -3.510 -6.815 -9.425 304 HH11 ARG 54 HH11 ARG 54 -0.882 -5.639 -11.417 305 HH12 ARG 54 HH12 ARG 54 -0.443 -7.219 -11.989 306 HH21 ARG 54 HH21 ARG 54 -2.957 -8.888 -10.198 307 HH22 ARG 54 HH22 ARG 54 -1.625 -9.066 -11.293 308 H GLN 55 HN GLN 55 -6.093 -0.917 -8.674 309 HA GLN 55 HA GLN 55 -8.153 -2.954 -8.475 310 HB2 GLN 55 HB2 GLN 55 -7.761 -0.238 -7.270 311 HB3 GLN 55 HB1 GLN 55 -9.343 -1.002 -7.231 312 HG2 GLN 55 HG2 GLN 55 -6.790 -2.018 -6.015 313 HG3 GLN 55 HG1 GLN 55 -8.235 -1.457 -5.175 314 HE21 GLN 55 HE21 GLN 55 -10.128 -2.754 -5.269 315 HE22 GLN 55 HE22 GLN 55 -10.014 -4.453 -5.565 316 H GLY 56 HN GLY 56 -7.337 -0.459 -10.588 317 HA2 GLY 56 HA2 GLY 56 -8.401 0.249 -12.514 318 HA3 GLY 56 HA1 GLY 56 -9.735 -0.828 -12.124 319 H VAL 57 HN VAL 57 -8.527 1.586 -9.917 320 HA VAL 57 HA VAL 57 -10.925 3.230 -10.388 321 HB VAL 57 HB VAL 57 -10.945 3.671 -7.896 322 HG11 VAL 57 HG11 VAL 57 -12.123 1.580 -7.336 323 HG12 VAL 57 HG12 VAL 57 -11.507 0.858 -8.820 324 HG13 VAL 57 HG13 VAL 57 -12.609 2.231 -8.901 325 HG21 VAL 57 HG21 VAL 57 -8.692 2.887 -7.387 326 HG22 VAL 57 HG22 VAL 57 -9.156 1.247 -7.838 327 HG23 VAL 57 HG23 VAL 57 -9.894 2.017 -6.434 328 HA PRO 58 HA PRO 58 -8.143 6.673 -10.442 329 HB2 PRO 58 HB2 PRO 58 -9.606 8.623 -9.232 330 HB3 PRO 58 HB1 PRO 58 -9.924 8.054 -10.877 331 HG2 PRO 58 HG2 PRO 58 -11.312 7.323 -8.340 332 HG3 PRO 58 HG1 PRO 58 -11.998 7.661 -9.942 333 HD2 PRO 58 HD2 PRO 58 -11.673 5.149 -9.025 334 HD3 PRO 58 HD1 PRO 58 -11.517 5.561 -10.744 335 H MET 59 HN MET 59 -7.124 8.373 -8.973 336 HA MET 59 HA MET 59 -6.265 7.057 -6.556 337 HB2 MET 59 HB2 MET 59 -4.876 8.518 -8.221 338 HB3 MET 59 HB1 MET 59 -5.509 9.865 -7.287 339 HG2 MET 59 HG2 MET 59 -4.567 8.836 -5.245 340 HG3 MET 59 HG1 MET 59 -3.850 7.579 -6.250 341 HE1 MET 59 HE1 MET 59 -2.068 9.166 -4.277 342 HE2 MET 59 HE2 MET 59 -0.692 9.623 -5.282 343 HE3 MET 59 HE3 MET 59 -1.395 8.013 -5.431 344 H ASN 60 HN ASN 60 -6.367 7.974 -4.444 345 HA ASN 60 HA ASN 60 -7.277 9.050 -2.667 346 HB2 ASN 60 HB2 ASN 60 -7.072 11.113 -4.163 347 HB3 ASN 60 HB1 ASN 60 -8.773 10.882 -4.543 348 HD21 ASN 60 HD21 ASN 60 -9.702 12.561 -3.563 349 HD22 ASN 60 HD22 ASN 60 -9.578 12.930 -1.878 350 H SER 61 HN SER 61 -8.684 6.994 -4.511 351 HA SER 61 HA SER 61 -11.439 7.379 -3.615 352 HB2 SER 61 HB2 SER 61 -11.933 5.409 -5.051 353 HB3 SER 61 HB1 SER 61 -11.147 6.709 -5.947 354 HG SER 61 HG SER 61 -9.564 5.402 -6.370 355 H LEU 62 HN LEU 62 -8.596 5.597 -2.917 356 HA LEU 62 HA LEU 62 -10.046 4.033 -0.891 357 HB2 LEU 62 HB2 LEU 62 -7.567 3.160 -2.374 358 HB3 LEU 62 HB1 LEU 62 -8.464 2.220 -1.200 359 HG LEU 62 HG LEU 62 -9.591 3.090 -3.861 360 HD11 LEU 62 HD11 LEU 62 -9.217 0.777 -4.573 361 HD12 LEU 62 HD12 LEU 62 -8.372 0.451 -3.059 362 HD13 LEU 62 HD13 LEU 62 -7.701 1.606 -4.212 363 HD21 LEU 62 HD21 LEU 62 -10.539 1.197 -1.718 364 HD22 LEU 62 HD22 LEU 62 -11.203 1.234 -3.351 365 HD23 LEU 62 HD23 LEU 62 -11.341 2.651 -2.312 366 H ARG 63 HN ARG 63 -9.134 3.919 1.123 367 HA ARG 63 HA ARG 63 -6.743 5.584 1.544 368 HB2 ARG 63 HB2 ARG 63 -7.557 6.053 3.784 369 HB3 ARG 63 HB1 ARG 63 -8.792 6.471 2.606 370 HG2 ARG 63 HG2 ARG 63 -10.079 4.550 3.141 371 HG3 ARG 63 HG1 ARG 63 -8.772 3.869 4.113 372 HD2 ARG 63 HD2 ARG 63 -9.019 5.586 5.762 373 HD3 ARG 63 HD1 ARG 63 -10.151 6.473 4.744 374 HE ARG 63 HE ARG 63 -10.702 4.037 6.262 375 HH11 ARG 63 HH11 ARG 63 -11.818 6.550 4.081 376 HH12 ARG 63 HH12 ARG 63 -13.501 6.188 4.344 377 HH21 ARG 63 HH21 ARG 63 -14.123 4.492 5.753 378 HH22 ARG 63 HH22 ARG 63 -12.919 3.546 6.570 379 H PHE 64 HN PHE 64 -5.084 4.803 2.770 380 HA PHE 64 HA PHE 64 -5.167 1.924 3.308 381 HB2 PHE 64 HB2 PHE 64 -2.801 3.784 2.988 382 HB3 PHE 64 HB1 PHE 64 -2.702 2.052 3.271 383 HD1 PHE 64 HD1 PHE 64 -2.997 4.627 0.821 384 HD2 PHE 64 HD2 PHE 64 -3.720 0.495 1.540 385 HE1 PHE 64 HE1 PHE 64 -3.116 4.231 -1.602 386 HE2 PHE 64 HE2 PHE 64 -3.838 0.090 -0.884 387 HZ PHE 64 HZ PHE 64 -3.534 1.961 -2.458 388 H LEU 65 HN LEU 65 -5.403 1.307 5.321 389 HA LEU 65 HA LEU 65 -4.788 3.203 7.473 390 HB2 LEU 65 HB2 LEU 65 -6.457 0.685 7.509 391 HB3 LEU 65 HB1 LEU 65 -6.208 1.759 8.873 392 HG LEU 65 HG LEU 65 -7.550 2.587 6.300 393 HD11 LEU 65 HD11 LEU 65 -8.806 1.859 8.942 394 HD12 LEU 65 HD12 LEU 65 -8.826 0.853 7.494 395 HD13 LEU 65 HD13 LEU 65 -9.645 2.415 7.492 396 HD21 LEU 65 HD21 LEU 65 -8.286 4.514 7.608 397 HD22 LEU 65 HD22 LEU 65 -6.526 4.426 7.530 398 HD23 LEU 65 HD23 LEU 65 -7.371 3.927 8.997 399 H PHE 66 HN PHE 66 -3.034 2.924 8.627 400 HA PHE 66 HA PHE 66 -1.931 0.214 8.946 401 HB2 PHE 66 HB2 PHE 66 -0.675 1.690 7.275 402 HB3 PHE 66 HB1 PHE 66 -0.220 2.684 8.655 403 HD1 PHE 66 HD1 PHE 66 0.126 -0.628 7.100 404 HD2 PHE 66 HD2 PHE 66 1.458 1.980 10.189 405 HE1 PHE 66 HE1 PHE 66 2.024 -2.130 7.541 406 HE2 PHE 66 HE2 PHE 66 3.360 0.485 10.635 407 HZ PHE 66 HZ PHE 66 3.646 -1.574 9.310 408 H GLU 67 HN GLU 67 -2.216 -0.249 11.020 409 HA GLU 67 HA GLU 67 -2.177 -0.162 13.281 410 HB2 GLU 67 HB2 GLU 67 -0.088 1.893 12.627 411 HB3 GLU 67 HB1 GLU 67 -0.511 1.518 14.292 412 HG2 GLU 67 HG2 GLU 67 0.331 -0.593 12.333 413 HG3 GLU 67 HG1 GLU 67 1.483 0.313 13.315 414 H GLY 68 HN GLY 68 -4.069 1.546 11.753 415 HA2 GLY 68 HA2 GLY 68 -5.927 2.662 12.724 416 HA3 GLY 68 HA1 GLY 68 -4.880 3.217 14.019 417 H GLN 69 HN GLN 69 -2.864 3.894 11.801 418 HA GLN 69 HA GLN 69 -3.913 6.581 11.347 419 HB2 GLN 69 HB2 GLN 69 -1.169 5.362 11.116 420 HB3 GLN 69 HB1 GLN 69 -1.532 6.960 10.485 421 HG2 GLN 69 HG2 GLN 69 -2.368 7.475 12.862 422 HG3 GLN 69 HG1 GLN 69 -1.469 6.028 13.325 423 HE21 GLN 69 HE21 GLN 69 -0.985 8.791 14.073 424 HE22 GLN 69 HE22 GLN 69 0.613 9.167 13.535 425 H ARG 70 HN ARG 70 -3.469 7.579 9.186 426 HA ARG 70 HA ARG 70 -3.926 5.580 7.085 427 HB2 ARG 70 HB2 ARG 70 -5.013 7.381 5.787 428 HB3 ARG 70 HB1 ARG 70 -5.829 7.061 7.308 429 HG2 ARG 70 HG2 ARG 70 -4.751 9.036 8.287 430 HG3 ARG 70 HG1 ARG 70 -3.967 9.359 6.739 431 HD2 ARG 70 HD2 ARG 70 -6.941 9.281 7.246 432 HD3 ARG 70 HD1 ARG 70 -5.968 10.733 7.017 433 HE ARG 70 HE ARG 70 -5.460 9.525 4.745 434 HH11 ARG 70 HH11 ARG 70 -9.471 9.672 4.944 435 HH12 ARG 70 HH12 ARG 70 -8.543 9.742 6.408 436 HH21 ARG 70 HH21 ARG 70 -8.434 9.489 2.919 437 HH22 ARG 70 HH22 ARG 70 -6.696 9.428 2.834 438 H ILE 71 HN ILE 71 -2.641 5.518 5.336 439 HA ILE 71 HA ILE 71 -0.090 6.802 5.516 440 HB ILE 71 HB ILE 71 -1.251 5.139 3.272 441 HG12 ILE 71 HG12 ILE 71 -1.166 3.881 5.360 442 HG13 ILE 71 HG11 ILE 71 0.073 3.297 4.257 443 HG21 ILE 71 HG21 ILE 71 0.609 6.482 2.496 444 HG22 ILE 71 HG22 ILE 71 1.085 4.787 2.601 445 HG23 ILE 71 HG23 ILE 71 1.602 5.925 3.845 446 HD11 ILE 71 HD11 ILE 71 0.427 5.008 6.695 447 HD12 ILE 71 HD12 ILE 71 1.699 4.758 5.502 448 HD13 ILE 71 HD13 ILE 71 1.052 3.384 6.397 449 H ALA 72 HN ALA 72 0.531 8.667 4.671 450 HA ALA 72 HA ALA 72 -1.316 10.154 2.989 451 HB1 ALA 72 HB1 ALA 72 1.299 10.974 4.255 452 HB2 ALA 72 HB2 ALA 72 -0.315 11.299 4.888 453 HB3 ALA 72 HB3 ALA 72 0.205 12.044 3.378 454 H ASP 73 HN ASP 73 0.277 11.712 1.463 455 HA ASP 73 HA ASP 73 1.244 9.801 -0.521 456 HB2 ASP 73 HB2 ASP 73 0.393 12.671 -0.608 457 HB3 ASP 73 HB1 ASP 73 1.410 12.028 -1.889 458 H ASN 74 HN ASN 74 2.631 11.273 1.998 459 HA ASN 74 HA ASN 74 5.205 11.481 0.591 460 HB2 ASN 74 HB2 ASN 74 5.856 13.346 2.091 461 HB3 ASN 74 HB1 ASN 74 4.502 13.759 1.047 462 HD21 ASN 74 HD21 ASN 74 5.536 13.151 4.297 463 HD22 ASN 74 HD22 ASN 74 4.093 13.707 5.073 464 H HIS 75 HN HIS 75 3.779 9.438 2.297 465 HA HIS 75 HA HIS 75 5.403 9.265 4.682 466 HB2 HIS 75 HB2 HIS 75 3.043 7.891 3.599 467 HB3 HIS 75 HB1 HIS 75 4.165 6.825 4.433 468 HD2 HIS 75 HD2 HIS 75 4.519 7.357 7.174 469 HE1 HIS 75 HE1 HIS 75 1.128 9.877 7.407 470 HE2 HIS 75 HE2 HIS 75 2.864 8.599 8.741 471 H THR 76 HN THR 76 6.815 7.509 5.144 472 HA THR 76 HA THR 76 7.887 6.127 2.774 473 HB THR 76 HB THR 76 9.984 6.513 4.665 474 HG1 THR 76 HG1 THR 76 8.451 8.394 5.149 475 HG21 THR 76 HG21 THR 76 10.202 6.198 2.217 476 HG22 THR 76 HG22 THR 76 11.090 7.604 2.802 477 HG23 THR 76 HG23 THR 76 9.548 7.816 1.974 478 HA PRO 77 HA PRO 77 7.459 2.436 5.199 479 HB2 PRO 77 HB2 PRO 77 9.932 1.386 4.005 480 HB3 PRO 77 HB1 PRO 77 8.272 0.803 3.838 481 HG2 PRO 77 HG2 PRO 77 9.549 1.999 1.813 482 HG3 PRO 77 HG1 PRO 77 7.803 2.183 2.068 483 HD2 PRO 77 HD2 PRO 77 10.012 4.085 2.709 484 HD3 PRO 77 HD1 PRO 77 8.395 4.410 2.051 485 H LYS 78 HN LYS 78 10.294 4.344 5.327 486 HA LYS 78 HA LYS 78 11.691 2.837 7.312 487 HB2 LYS 78 HB2 LYS 78 12.760 4.419 5.687 488 HB3 LYS 78 HB1 LYS 78 12.039 5.748 6.581 489 HG2 LYS 78 HG2 LYS 78 14.382 5.414 7.175 490 HG3 LYS 78 HG1 LYS 78 13.314 5.154 8.553 491 HD2 LYS 78 HD2 LYS 78 15.039 3.453 8.505 492 HD3 LYS 78 HD1 LYS 78 13.467 2.725 8.190 493 HE2 LYS 78 HE2 LYS 78 13.957 2.740 5.783 494 HE3 LYS 78 HE1 LYS 78 15.539 3.443 6.116 495 HZ1 LYS 78 HZ1 LYS 78 14.618 0.820 7.151 496 HZ2 LYS 78 HZ2 LYS 78 16.168 1.477 7.305 497 HZ3 LYS 78 HZ3 LYS 78 15.591 1.015 5.785 498 H GLU 79 HN GLU 79 9.168 5.203 7.370 499 HA GLU 79 HA GLU 79 9.555 5.651 10.238 500 HB2 GLU 79 HB2 GLU 79 8.059 7.503 10.050 501 HB3 GLU 79 HB1 GLU 79 9.195 7.611 8.713 502 HG2 GLU 79 HG2 GLU 79 7.416 6.449 7.319 503 HG3 GLU 79 HG1 GLU 79 6.311 6.795 8.650 504 H LEU 80 HN LEU 80 7.356 5.829 11.445 505 HA LEU 80 HA LEU 80 5.475 4.870 12.265 506 HB2 LEU 80 HB2 LEU 80 5.234 4.386 9.429 507 HB3 LEU 80 HB1 LEU 80 4.559 3.052 10.344 508 HG LEU 80 HG LEU 80 3.785 5.927 10.821 509 HD11 LEU 80 HD11 LEU 80 3.203 5.350 8.541 510 HD12 LEU 80 HD12 LEU 80 1.752 5.420 9.541 511 HD13 LEU 80 HD13 LEU 80 2.437 3.859 9.090 512 HD21 LEU 80 HD21 LEU 80 1.838 4.896 11.908 513 HD22 LEU 80 HD22 LEU 80 3.355 4.438 12.684 514 HD23 LEU 80 HD23 LEU 80 2.531 3.301 11.615 515 H GLY 81 HN GLY 81 7.249 2.477 10.306 516 HA2 GLY 81 HA2 GLY 81 8.577 0.829 11.586 517 HA3 GLY 81 HA1 GLY 81 7.199 0.704 12.673 518 H MET 82 HN MET 82 7.767 0.523 9.161 519 HA MET 82 HA MET 82 5.779 -1.597 8.957 520 HB2 MET 82 HB2 MET 82 7.388 -0.169 6.828 521 HB3 MET 82 HB1 MET 82 6.109 -1.337 6.517 522 HG2 MET 82 HG2 MET 82 4.446 0.104 7.306 523 HG3 MET 82 HG1 MET 82 5.613 1.149 8.114 524 HE1 MET 82 HE1 MET 82 4.979 3.386 7.273 525 HE2 MET 82 HE2 MET 82 3.521 2.709 6.540 526 HE3 MET 82 HE3 MET 82 4.560 3.790 5.606 527 H GLU 83 HN GLU 83 6.290 -3.692 8.918 528 HA GLU 83 HA GLU 83 9.086 -4.411 8.302 529 HB2 GLU 83 HB2 GLU 83 7.424 -5.028 10.637 530 HB3 GLU 83 HB1 GLU 83 8.202 -6.438 9.928 531 HG2 GLU 83 HG2 GLU 83 9.637 -3.928 10.764 532 HG3 GLU 83 HG1 GLU 83 9.508 -5.390 11.741 533 H GLU 84 HN GLU 84 9.123 -6.975 8.112 534 HA GLU 84 HA GLU 84 7.698 -7.580 5.714 535 HB2 GLU 84 HB2 GLU 84 9.926 -8.458 6.057 536 HB3 GLU 84 HB1 GLU 84 9.424 -9.267 7.533 537 HG2 GLU 84 HG2 GLU 84 9.666 -10.859 5.738 538 HG3 GLU 84 HG1 GLU 84 7.976 -10.743 6.226 539 H GLU 85 HN GLU 85 5.984 -8.946 5.386 540 HA GLU 85 HA GLU 85 4.069 -10.083 5.795 541 HB2 GLU 85 HB2 GLU 85 5.752 -10.917 8.108 542 HB3 GLU 85 HB1 GLU 85 4.033 -11.279 8.170 543 HG2 GLU 85 HG2 GLU 85 5.818 -12.069 5.882 544 HG3 GLU 85 HG1 GLU 85 5.490 -13.104 7.271 545 H ASP 86 HN ASP 86 4.497 -7.279 6.656 546 HA ASP 86 HA ASP 86 2.966 -6.855 9.021 547 HB2 ASP 86 HB2 ASP 86 4.625 -5.276 7.515 548 HB3 ASP 86 HB1 ASP 86 3.038 -4.634 7.098 549 H VAL 87 HN VAL 87 0.903 -5.610 9.024 550 HA VAL 87 HA VAL 87 -0.840 -6.606 6.864 551 HB VAL 87 HB VAL 87 -1.590 -6.107 9.749 552 HG11 VAL 87 HG11 VAL 87 -3.462 -5.715 8.272 553 HG12 VAL 87 HG12 VAL 87 -3.701 -7.229 9.141 554 HG13 VAL 87 HG13 VAL 87 -3.181 -7.255 7.457 555 HG21 VAL 87 HG21 VAL 87 -1.282 -8.732 8.293 556 HG22 VAL 87 HG22 VAL 87 -1.732 -8.505 9.983 557 HG23 VAL 87 HG23 VAL 87 -0.116 -8.065 9.432 558 H ILE 88 HN ILE 88 -1.572 -5.076 5.592 559 HA ILE 88 HA ILE 88 -2.242 -2.462 6.766 560 HB ILE 88 HB ILE 88 -0.275 -2.184 5.362 561 HG12 ILE 88 HG12 ILE 88 -2.678 -1.140 3.852 562 HG13 ILE 88 HG11 ILE 88 -2.096 -0.446 5.362 563 HG21 ILE 88 HG21 ILE 88 -1.895 -3.332 3.100 564 HG22 ILE 88 HG22 ILE 88 -0.593 -4.166 3.950 565 HG23 ILE 88 HG23 ILE 88 -0.248 -2.716 3.006 566 HD11 ILE 88 HD11 ILE 88 -1.372 0.684 3.216 567 HD12 ILE 88 HD12 ILE 88 -0.337 -0.718 2.950 568 HD13 ILE 88 HD13 ILE 88 -0.102 0.292 4.377 569 H GLU 89 HN GLU 89 -4.249 -1.673 6.302 570 HA GLU 89 HA GLU 89 -5.959 -3.414 4.653 571 HB2 GLU 89 HB2 GLU 89 -6.722 -1.604 6.949 572 HB3 GLU 89 HB1 GLU 89 -7.831 -2.612 6.027 573 HG2 GLU 89 HG2 GLU 89 -7.086 -4.552 6.983 574 HG3 GLU 89 HG1 GLU 89 -5.493 -3.890 7.344 575 H VAL 90 HN VAL 90 -7.465 -2.498 3.261 576 HA VAL 90 HA VAL 90 -7.162 0.376 2.738 577 HB VAL 90 HB VAL 90 -5.825 -0.779 1.074 578 HG11 VAL 90 HG11 VAL 90 -8.326 -2.316 0.385 579 HG12 VAL 90 HG12 VAL 90 -6.884 -2.971 1.159 580 HG13 VAL 90 HG13 VAL 90 -6.800 -2.380 -0.501 581 HG21 VAL 90 HG21 VAL 90 -6.927 0.018 -0.982 582 HG22 VAL 90 HG22 VAL 90 -6.993 1.200 0.326 583 HG23 VAL 90 HG23 VAL 90 -8.420 0.242 -0.071 584 H TYR 91 HN TYR 91 -9.025 1.450 2.490 585 HA TYR 91 HA TYR 91 -11.469 -0.049 1.866 586 HB2 TYR 91 HB2 TYR 91 -11.095 1.818 4.214 587 HB3 TYR 91 HB1 TYR 91 -12.674 1.315 3.620 588 HD1 TYR 91 HD1 TYR 91 -13.198 -1.184 3.606 589 HD2 TYR 91 HD2 TYR 91 -9.898 0.469 5.721 590 HE1 TYR 91 HE1 TYR 91 -13.070 -3.216 4.985 591 HE2 TYR 91 HE2 TYR 91 -9.762 -1.560 7.104 592 HH TYR 91 HH TYR 91 -11.238 -4.420 6.325 593 H GLN 92 HN GLN 92 -13.238 1.347 1.136 594 HA GLN 92 HA GLN 92 -12.236 3.345 -0.658 595 HB2 GLN 92 HB2 GLN 92 -14.106 1.721 -1.167 596 HB3 GLN 92 HB1 GLN 92 -15.127 2.681 -0.106 597 HG2 GLN 92 HG2 GLN 92 -14.237 4.630 -1.691 598 HG3 GLN 92 HG1 GLN 92 -14.101 3.278 -2.816 599 HE21 GLN 92 HE21 GLN 92 -16.252 5.284 -0.985 600 HE22 GLN 92 HE22 GLN 92 -17.717 4.762 -1.749 601 H GLU 93 HN GLU 93 -12.544 5.501 -0.652 602 HA GLU 93 HA GLU 93 -13.059 6.758 1.895 603 HB2 GLU 93 HB2 GLU 93 -12.282 7.809 -0.827 604 HB3 GLU 93 HB1 GLU 93 -12.569 8.860 0.554 605 HG2 GLU 93 HG2 GLU 93 -10.608 6.618 0.746 606 HG3 GLU 93 HG1 GLU 93 -10.159 8.144 -0.016 607 H GLN 94 HN GLN 94 -14.480 8.765 1.921 608 HA GLN 94 HA GLN 94 -17.105 8.016 0.977 609 HB2 GLN 94 HB2 GLN 94 -16.499 9.098 3.247 610 HB3 GLN 94 HB1 GLN 94 -16.423 10.606 2.346 611 HG2 GLN 94 HG2 GLN 94 -18.814 9.687 1.526 612 HG3 GLN 94 HG1 GLN 94 -18.748 8.991 3.145 613 HE21 GLN 94 HE21 GLN 94 -20.340 10.279 3.985 614 HE22 GLN 94 HE22 GLN 94 -20.135 11.977 4.249 615 H THR 95 HN THR 95 -14.559 10.181 0.110 616 HA THR 95 HA THR 95 -16.035 11.964 -1.525 617 HB THR 95 HB THR 95 -13.687 12.318 -2.576 618 HG1 THR 95 HG1 THR 95 -12.244 11.467 -0.592 619 HG21 THR 95 HG21 THR 95 -12.910 13.526 -0.518 620 HG22 THR 95 HG22 THR 95 -14.263 12.798 0.346 621 HG23 THR 95 HG23 THR 95 -14.566 13.894 -1.000 622 H GLY 96 HN GLY 96 -14.184 9.016 -2.170 623 HA2 GLY 96 HA2 GLY 96 -14.721 7.420 -3.813 624 HA3 GLY 96 HA1 GLY 96 -15.726 8.617 -4.615 625 H GLY 97 HN GLY 97 -12.858 10.080 -3.834 626 HA2 GLY 97 HA2 GLY 97 -10.731 9.663 -5.113 627 HA3 GLY 97 HA1 GLY 97 -11.769 9.490 -6.521 628 H1 ASP 195 HN ASP 195 -6.028 -21.389 -4.169 629 HA ASP 195 HA ASP 195 -8.093 -19.474 -3.364 630 HB2 ASP 195 HB2 ASP 195 -6.713 -20.355 -1.362 631 HB3 ASP 195 HB1 ASP 195 -5.381 -19.431 -2.045 632 H THR 196 HN THR 196 -6.798 -17.165 -3.355 633 HA THR 196 HA THR 196 -5.238 -17.152 -5.850 634 HB THR 196 HB THR 196 -7.159 -14.998 -4.946 635 HG1 THR 196 HG1 THR 196 -7.575 -17.372 -6.268 636 HG21 THR 196 HG21 THR 196 -6.896 -14.092 -7.157 637 HG22 THR 196 HG22 THR 196 -5.887 -15.456 -7.644 638 HG23 THR 196 HG23 THR 196 -5.294 -14.301 -6.451 639 H ALA 197 HN ALA 197 -3.261 -16.358 -5.622 640 HA ALA 197 HA ALA 197 -2.764 -14.371 -3.500 641 HB1 ALA 197 HB1 ALA 197 -0.488 -15.293 -3.267 642 HB2 ALA 197 HB2 ALA 197 -0.889 -16.571 -4.410 643 HB3 ALA 197 HB3 ALA 197 -1.713 -16.490 -2.857 644 H GLY 198 HN GLY 198 -1.983 -12.505 -4.274 645 HA2 GLY 198 HA2 GLY 198 -0.828 -12.545 -6.996 646 HA3 GLY 198 HA1 GLY 198 -1.882 -11.256 -6.425 647 H CYS 199 HN CYS 199 1.178 -11.747 -7.187 648 HA CYS 199 HA CYS 199 2.153 -10.085 -4.960 649 HB2 CYS 199 HB2 CYS 199 3.723 -11.908 -6.801 650 HB3 CYS 199 HB1 CYS 199 4.404 -10.917 -5.513 651 HG CYS 199 HG CYS 199 2.006 -12.838 -4.316 652 H ILE 200 HN ILE 200 2.685 -8.102 -5.435 653 HA ILE 200 HA ILE 200 3.206 -7.404 -8.244 654 HB ILE 200 HB ILE 200 1.069 -6.525 -7.784 655 HG12 ILE 200 HG12 ILE 200 2.997 -4.247 -7.291 656 HG13 ILE 200 HG11 ILE 200 2.639 -4.939 -8.870 657 HG21 ILE 200 HG21 ILE 200 1.110 -6.794 -5.353 658 HG22 ILE 200 HG22 ILE 200 0.485 -5.216 -5.830 659 HG23 ILE 200 HG23 ILE 200 2.132 -5.361 -5.217 660 HD11 ILE 200 HD11 ILE 200 0.681 -3.549 -7.055 661 HD12 ILE 200 HD12 ILE 200 0.300 -4.264 -8.625 662 HD13 ILE 200 HD13 ILE 200 1.401 -2.887 -8.525 663 H VAL 201 HN VAL 201 4.997 -6.258 -8.655 664 HA VAL 201 HA VAL 201 6.558 -5.314 -6.341 665 HB VAL 201 HB VAL 201 7.574 -7.255 -7.570 666 HG11 VAL 201 HG11 VAL 201 8.549 -6.908 -9.764 667 HG12 VAL 201 HG12 VAL 201 7.934 -5.256 -9.801 668 HG13 VAL 201 HG13 VAL 201 6.810 -6.613 -9.830 669 HG21 VAL 201 HG21 VAL 201 9.005 -5.862 -6.257 670 HG22 VAL 201 HG22 VAL 201 9.065 -4.632 -7.522 671 HG23 VAL 201 HG23 VAL 201 9.838 -6.199 -7.776 672 H ILE 202 HN ILE 202 7.216 -3.254 -6.341 673 HA ILE 202 HA ILE 202 6.691 -1.635 -8.741 674 HB ILE 202 HB ILE 202 5.046 -1.327 -6.925 675 HG12 ILE 202 HG12 ILE 202 5.493 1.218 -6.667 676 HG13 ILE 202 HG11 ILE 202 6.843 0.912 -7.759 677 HG21 ILE 202 HG21 ILE 202 7.362 -0.283 -5.301 678 HG22 ILE 202 HG22 ILE 202 6.523 -1.810 -5.026 679 HG23 ILE 202 HG23 ILE 202 5.666 -0.279 -4.827 680 HD11 ILE 202 HD11 ILE 202 4.097 -0.029 -8.472 681 HD12 ILE 202 HD12 ILE 202 5.457 0.371 -9.526 682 HD13 ILE 202 HD13 ILE 202 4.560 1.656 -8.718 683 H SEP 203 HN SEP 203 8.442 -0.426 -9.465 684 HA SEP 203 HA SEP 203 10.626 -0.055 -7.520 685 HB2 SEP 203 HB1 SEP 203 10.720 -0.611 -10.480 686 HB3 SEP 203 HB2 SEP 203 11.278 -1.667 -9.188 687 H ASP 204 HN ASP 204 10.776 1.949 -6.992 688 HA ASP 204 HA ASP 204 10.846 3.973 -9.024 689 HB2 ASP 204 HB2 ASP 204 8.507 3.877 -7.821 690 HB3 ASP 204 HB1 ASP 204 9.346 4.920 -6.687 691 H SEP 205 HN SEP 205 12.060 5.736 -8.552 692 HA SEP 205 HA SEP 205 13.701 5.447 -6.138 693 HB2 SEP 205 HB1 SEP 205 14.457 6.337 -8.889 694 HB3 SEP 205 HB2 SEP 205 14.831 4.779 -8.152 695 H GLU 206 HN GLU 206 13.936 7.243 -4.883 696 HA GLU 206 HA GLU 206 12.423 9.599 -5.391 697 HB2 GLU 206 HB2 GLU 206 12.851 8.913 -3.105 698 HB3 GLU 206 HB1 GLU 206 14.585 9.015 -3.366 699 HG2 GLU 206 HG2 GLU 206 13.786 10.920 -2.096 700 HG3 GLU 206 HG1 GLU 206 14.415 11.423 -3.663 Start of MODEL 12 1 H1 TYR 21 HN TYR 21 13.826 -5.249 -0.148 2 HA TYR 21 HA TYR 21 11.748 -5.050 -1.100 3 HB2 TYR 21 HB2 TYR 21 12.411 -7.825 -1.989 4 HB3 TYR 21 HB1 TYR 21 10.734 -7.292 -2.051 5 HD1 TYR 21 HD1 TYR 21 10.114 -5.352 -3.483 6 HD2 TYR 21 HD2 TYR 21 14.012 -7.051 -3.576 7 HE1 TYR 21 HE1 TYR 21 10.538 -4.242 -5.632 8 HE2 TYR 21 HE2 TYR 21 14.447 -5.945 -5.726 9 HH TYR 21 HH TYR 21 12.338 -3.525 -7.018 10 H ILE 22 HN ILE 22 10.393 -4.658 0.471 11 HA ILE 22 HA ILE 22 9.823 -6.662 2.522 12 HB ILE 22 HB ILE 22 8.970 -3.765 2.313 13 HG12 ILE 22 HG12 ILE 22 11.400 -4.055 2.642 14 HG13 ILE 22 HG11 ILE 22 10.630 -3.335 4.052 15 HG21 ILE 22 HG21 ILE 22 8.705 -5.677 4.625 16 HG22 ILE 22 HG22 ILE 22 7.387 -5.110 3.599 17 HG23 ILE 22 HG23 ILE 22 8.256 -3.972 4.629 18 HD11 ILE 22 HD11 ILE 22 11.527 -6.188 3.742 19 HD12 ILE 22 HD12 ILE 22 10.635 -5.560 5.128 20 HD13 ILE 22 HD13 ILE 22 12.247 -4.945 4.766 21 H LYS 23 HN LYS 23 8.065 -7.904 2.410 22 HA LYS 23 HA LYS 23 6.005 -7.205 0.447 23 HB2 LYS 23 HB2 LYS 23 6.999 -9.403 0.190 24 HB3 LYS 23 HB1 LYS 23 6.615 -9.807 1.856 25 HG2 LYS 23 HG2 LYS 23 4.168 -9.383 1.143 26 HG3 LYS 23 HG1 LYS 23 4.790 -9.564 -0.498 27 HD2 LYS 23 HD2 LYS 23 4.072 -11.715 0.111 28 HD3 LYS 23 HD1 LYS 23 5.824 -11.749 0.314 29 HE2 LYS 23 HE2 LYS 23 4.105 -11.023 2.644 30 HE3 LYS 23 HE1 LYS 23 4.225 -12.714 2.167 31 HZ1 LYS 23 HZ1 LYS 23 5.883 -12.417 3.753 32 HZ2 LYS 23 HZ2 LYS 23 6.381 -10.918 3.127 33 HZ3 LYS 23 HZ3 LYS 23 6.723 -12.346 2.284 34 H LEU 24 HN LEU 24 4.290 -6.193 1.165 35 HA LEU 24 HA LEU 24 3.389 -6.630 3.928 36 HB2 LEU 24 HB2 LEU 24 2.632 -4.435 1.991 37 HB3 LEU 24 HB1 LEU 24 2.171 -4.532 3.681 38 HG LEU 24 HG LEU 24 5.041 -4.304 2.783 39 HD11 LEU 24 HD11 LEU 24 3.116 -2.118 3.551 40 HD12 LEU 24 HD12 LEU 24 3.866 -2.352 1.972 41 HD13 LEU 24 HD13 LEU 24 4.857 -1.917 3.365 42 HD21 LEU 24 HD21 LEU 24 5.411 -3.586 5.078 43 HD22 LEU 24 HD22 LEU 24 4.673 -5.187 5.036 44 HD23 LEU 24 HD23 LEU 24 3.693 -3.774 5.425 45 H LYS 25 HN LYS 25 1.277 -7.246 4.350 46 HA LYS 25 HA LYS 25 -0.119 -8.434 2.070 47 HB2 LYS 25 HB2 LYS 25 -0.381 -8.825 5.044 48 HB3 LYS 25 HB1 LYS 25 -1.512 -9.516 3.892 49 HG2 LYS 25 HG2 LYS 25 0.478 -10.633 2.805 50 HG3 LYS 25 HG1 LYS 25 1.405 -10.127 4.218 51 HD2 LYS 25 HD2 LYS 25 0.680 -12.344 4.645 52 HD3 LYS 25 HD1 LYS 25 -0.331 -11.289 5.632 53 HE2 LYS 25 HE2 LYS 25 -2.148 -11.479 4.079 54 HE3 LYS 25 HE1 LYS 25 -1.135 -12.346 2.926 55 HZ1 LYS 25 HZ1 LYS 25 -2.030 -13.318 5.584 56 HZ2 LYS 25 HZ2 LYS 25 -0.931 -14.135 4.591 57 HZ3 LYS 25 HZ3 LYS 25 -2.526 -13.896 4.072 58 H VAL 26 HN VAL 26 -1.494 -7.096 1.107 59 HA VAL 26 HA VAL 26 -2.994 -5.151 2.685 60 HB VAL 26 HB VAL 26 -3.200 -5.586 -0.291 61 HG11 VAL 26 HG11 VAL 26 -4.966 -4.250 0.701 62 HG12 VAL 26 HG12 VAL 26 -3.920 -3.251 -0.310 63 HG13 VAL 26 HG13 VAL 26 -3.765 -3.193 1.446 64 HG21 VAL 26 HG21 VAL 26 -1.262 -3.824 1.195 65 HG22 VAL 26 HG22 VAL 26 -1.548 -3.770 -0.543 66 HG23 VAL 26 HG23 VAL 26 -0.864 -5.220 0.194 67 H ILE 27 HN ILE 27 -4.730 -5.919 3.662 68 HA ILE 27 HA ILE 27 -6.215 -8.134 2.493 69 HB ILE 27 HB ILE 27 -6.650 -6.794 5.162 70 HG12 ILE 27 HG12 ILE 27 -4.381 -7.714 5.048 71 HG13 ILE 27 HG11 ILE 27 -5.386 -8.661 6.141 72 HG21 ILE 27 HG21 ILE 27 -7.601 -9.413 4.019 73 HG22 ILE 27 HG22 ILE 27 -8.583 -8.018 4.468 74 HG23 ILE 27 HG23 ILE 27 -7.756 -8.953 5.713 75 HD11 ILE 27 HD11 ILE 27 -4.571 -9.392 3.337 76 HD12 ILE 27 HD12 ILE 27 -5.696 -10.321 4.331 77 HD13 ILE 27 HD13 ILE 27 -4.018 -10.134 4.839 78 H GLY 28 HN GLY 28 -7.969 -7.798 1.316 79 HA2 GLY 28 HA2 GLY 28 -9.228 -5.159 1.346 80 HA3 GLY 28 HA1 GLY 28 -9.505 -6.430 0.162 81 H GLN 29 HN GLN 29 -11.666 -5.118 1.150 82 HA GLN 29 HA GLN 29 -12.786 -6.391 3.459 83 HB2 GLN 29 HB2 GLN 29 -13.392 -4.096 2.578 84 HB3 GLN 29 HB1 GLN 29 -14.278 -4.904 1.294 85 HG2 GLN 29 HG2 GLN 29 -15.697 -4.147 3.171 86 HG3 GLN 29 HG1 GLN 29 -15.798 -5.876 2.853 87 HE21 GLN 29 HE21 GLN 29 -15.065 -7.313 4.374 88 HE22 GLN 29 HE22 GLN 29 -14.599 -6.846 5.971 89 H ASP 30 HN ASP 30 -12.306 -7.365 0.304 90 HA ASP 30 HA ASP 30 -14.576 -9.214 0.253 91 HB2 ASP 30 HB2 ASP 30 -13.908 -9.649 -2.061 92 HB3 ASP 30 HB1 ASP 30 -14.074 -7.916 -1.790 93 H SER 31 HN SER 31 -11.991 -9.282 1.913 94 HA SER 31 HA SER 31 -10.624 -10.836 2.819 95 HB2 SER 31 HB2 SER 31 -12.335 -12.862 1.358 96 HB3 SER 31 HB1 SER 31 -11.282 -13.172 2.737 97 HG SER 31 HG SER 31 -13.706 -12.756 3.023 98 H SER 32 HN SER 32 -9.585 -9.595 0.676 99 HA SER 32 HA SER 32 -8.308 -11.694 -0.940 100 HB2 SER 32 HB2 SER 32 -7.573 -9.659 -2.332 101 HB3 SER 32 HB1 SER 32 -9.285 -10.086 -2.378 102 HG SER 32 HG SER 32 -9.768 -8.260 -1.445 103 H GLU 33 HN GLU 33 -6.182 -12.078 -0.748 104 HA GLU 33 HA GLU 33 -4.654 -10.411 1.117 105 HB2 GLU 33 HB2 GLU 33 -4.244 -13.270 0.244 106 HB3 GLU 33 HB1 GLU 33 -3.148 -12.388 1.298 107 HG2 GLU 33 HG2 GLU 33 -4.770 -12.250 3.014 108 HG3 GLU 33 HG1 GLU 33 -6.048 -12.815 1.943 109 H ILE 34 HN ILE 34 -3.973 -8.830 -0.292 110 HA ILE 34 HA ILE 34 -2.611 -9.605 -2.742 111 HB ILE 34 HB ILE 34 -2.930 -6.823 -1.624 112 HG12 ILE 34 HG12 ILE 34 -5.132 -7.942 -1.937 113 HG13 ILE 34 HG11 ILE 34 -4.899 -6.569 -3.013 114 HG21 ILE 34 HG21 ILE 34 -2.324 -7.824 -4.399 115 HG22 ILE 34 HG22 ILE 34 -1.212 -6.996 -3.310 116 HG23 ILE 34 HG23 ILE 34 -2.609 -6.139 -3.965 117 HD11 ILE 34 HD11 ILE 34 -4.645 -9.477 -3.739 118 HD12 ILE 34 HD12 ILE 34 -4.319 -8.127 -4.826 119 HD13 ILE 34 HD13 ILE 34 -5.947 -8.380 -4.197 120 H HIS 35 HN HIS 35 -0.515 -9.967 -2.853 121 HA HIS 35 HA HIS 35 1.215 -9.317 -0.617 122 HB2 HIS 35 HB2 HIS 35 1.865 -10.719 -3.224 123 HB3 HIS 35 HB1 HIS 35 2.909 -10.631 -1.813 124 HD2 HIS 35 HD2 HIS 35 0.910 -11.629 0.501 125 HE1 HIS 35 HE1 HIS 35 0.254 -14.953 -2.039 126 HE2 HIS 35 HE2 HIS 35 0.033 -14.072 0.325 127 H PHE 36 HN PHE 36 1.407 -7.119 -0.680 128 HA PHE 36 HA PHE 36 2.376 -5.849 -3.128 129 HB2 PHE 36 HB2 PHE 36 0.544 -5.049 -1.266 130 HB3 PHE 36 HB1 PHE 36 1.986 -4.208 -0.708 131 HD1 PHE 36 HD1 PHE 36 3.329 -3.339 -3.023 132 HD2 PHE 36 HD2 PHE 36 -0.853 -3.649 -2.371 133 HE1 PHE 36 HE1 PHE 36 2.938 -1.598 -4.690 134 HE2 PHE 36 HE2 PHE 36 -1.251 -1.899 -4.049 135 HZ PHE 36 HZ PHE 36 0.648 -0.867 -5.220 136 H LYS 37 HN LYS 37 4.525 -6.034 -3.373 137 HA LYS 37 HA LYS 37 6.201 -5.664 -0.981 138 HB2 LYS 37 HB2 LYS 37 7.937 -6.992 -2.184 139 HB3 LYS 37 HB1 LYS 37 6.482 -7.902 -1.799 140 HG2 LYS 37 HG2 LYS 37 5.702 -7.489 -4.130 141 HG3 LYS 37 HG1 LYS 37 7.285 -6.787 -4.472 142 HD2 LYS 37 HD2 LYS 37 6.814 -9.591 -3.467 143 HD3 LYS 37 HD1 LYS 37 7.109 -9.156 -5.151 144 HE2 LYS 37 HE2 LYS 37 9.289 -8.184 -4.465 145 HE3 LYS 37 HE1 LYS 37 8.996 -8.770 -2.828 146 HZ1 LYS 37 HZ1 LYS 37 9.101 -10.511 -5.228 147 HZ2 LYS 37 HZ2 LYS 37 9.015 -11.010 -3.617 148 HZ3 LYS 37 HZ3 LYS 37 10.410 -10.247 -4.191 149 H VAL 38 HN VAL 38 7.841 -4.240 -1.006 150 HA VAL 38 HA VAL 38 8.582 -2.903 -3.490 151 HB VAL 38 HB VAL 38 8.474 -0.684 -2.080 152 HG11 VAL 38 HG11 VAL 38 7.309 -1.272 -4.225 153 HG12 VAL 38 HG12 VAL 38 6.468 -0.121 -3.192 154 HG13 VAL 38 HG13 VAL 38 5.938 -1.800 -3.248 155 HG21 VAL 38 HG21 VAL 38 7.673 -1.755 -0.019 156 HG22 VAL 38 HG22 VAL 38 6.224 -2.291 -0.867 157 HG23 VAL 38 HG23 VAL 38 6.517 -0.570 -0.627 158 H LYS 39 HN LYS 39 10.313 -1.154 -2.907 159 HA LYS 39 HA LYS 39 12.308 -2.523 -1.255 160 HB2 LYS 39 HB2 LYS 39 12.407 -0.631 -3.560 161 HB3 LYS 39 HB1 LYS 39 13.749 -0.627 -2.426 162 HG2 LYS 39 HG2 LYS 39 14.355 -2.812 -2.941 163 HG3 LYS 39 HG1 LYS 39 12.783 -3.173 -3.660 164 HD2 LYS 39 HD2 LYS 39 14.523 -2.921 -5.366 165 HD3 LYS 39 HD1 LYS 39 13.276 -1.686 -5.524 166 HE2 LYS 39 HE2 LYS 39 14.741 -0.103 -4.333 167 HE3 LYS 39 HE1 LYS 39 15.993 -1.340 -4.261 168 HZ1 LYS 39 HZ1 LYS 39 14.808 -0.335 -6.793 169 HZ2 LYS 39 HZ2 LYS 39 16.172 -1.331 -6.616 170 HZ3 LYS 39 HZ3 LYS 39 16.233 0.282 -6.113 171 H MET 40 HN MET 40 14.005 -0.474 -0.653 172 HA MET 40 HA MET 40 12.524 0.893 1.439 173 HB2 MET 40 HB2 MET 40 14.894 -0.294 1.549 174 HB3 MET 40 HB1 MET 40 15.451 1.293 1.031 175 HG2 MET 40 HG2 MET 40 15.501 0.988 3.473 176 HG3 MET 40 HG1 MET 40 14.478 2.330 2.961 177 HE1 MET 40 HE1 MET 40 13.295 -1.426 2.532 178 HE2 MET 40 HE2 MET 40 12.779 -1.785 4.181 179 HE3 MET 40 HE3 MET 40 14.479 -1.466 3.838 180 H THR 41 HN THR 41 14.212 1.579 -1.522 181 HA THR 41 HA THR 41 14.303 4.417 -1.209 182 HB THR 41 HB THR 41 15.764 2.952 -2.759 183 HG1 THR 41 HG1 THR 41 15.423 4.794 -4.497 184 HG21 THR 41 HG21 THR 41 14.114 1.728 -3.966 185 HG22 THR 41 HG22 THR 41 14.851 2.848 -5.113 186 HG23 THR 41 HG23 THR 41 13.255 3.202 -4.432 187 H THR 42 HN THR 42 11.887 2.186 -2.104 188 HA THR 42 HA THR 42 10.432 3.799 -3.915 189 HB THR 42 HB THR 42 8.956 1.720 -2.411 190 HG1 THR 42 HG1 THR 42 11.122 1.037 -4.150 191 HG21 THR 42 HG21 THR 42 9.406 2.633 -5.221 192 HG22 THR 42 HG22 THR 42 7.889 2.470 -4.312 193 HG23 THR 42 HG23 THR 42 8.720 1.031 -4.902 194 H HIS 43 HN HIS 43 9.342 5.520 -3.517 195 HA HIS 43 HA HIS 43 8.564 6.314 -0.873 196 HB2 HIS 43 HB2 HIS 43 8.000 7.555 -3.580 197 HB3 HIS 43 HB1 HIS 43 7.666 8.322 -2.029 198 HD2 HIS 43 HD2 HIS 43 9.793 9.711 -4.105 199 HE1 HIS 43 HE1 HIS 43 12.690 8.262 -1.425 200 HE2 HIS 43 HE2 HIS 43 12.159 10.032 -3.132 201 H LEU 44 HN LEU 44 6.556 6.245 0.022 202 HA LEU 44 HA LEU 44 4.698 4.388 -1.035 203 HB2 LEU 44 HB2 LEU 44 4.509 6.319 1.265 204 HB3 LEU 44 HB1 LEU 44 3.270 5.138 0.889 205 HG LEU 44 HG LEU 44 6.120 4.519 1.673 206 HD11 LEU 44 HD11 LEU 44 4.935 5.257 3.589 207 HD12 LEU 44 HD12 LEU 44 4.986 3.497 3.663 208 HD13 LEU 44 HD13 LEU 44 3.510 4.315 3.151 209 HD21 LEU 44 HD21 LEU 44 5.233 2.172 1.805 210 HD22 LEU 44 HD22 LEU 44 5.415 2.825 0.180 211 HD23 LEU 44 HD23 LEU 44 3.817 2.738 0.919 212 H LYS 45 HN LYS 45 5.247 7.502 -1.944 213 HA LYS 45 HA LYS 45 2.630 8.519 -2.294 214 HB2 LYS 45 HB2 LYS 45 4.345 10.115 -2.414 215 HB3 LYS 45 HB1 LYS 45 5.316 9.132 -3.496 216 HG2 LYS 45 HG2 LYS 45 4.578 10.717 -4.948 217 HG3 LYS 45 HG1 LYS 45 3.302 9.515 -5.137 218 HD2 LYS 45 HD2 LYS 45 1.953 10.767 -3.468 219 HD3 LYS 45 HD1 LYS 45 3.212 12.006 -3.439 220 HE2 LYS 45 HE2 LYS 45 2.897 12.271 -5.905 221 HE3 LYS 45 HE1 LYS 45 1.519 11.177 -5.790 222 HZ1 LYS 45 HZ1 LYS 45 1.808 13.882 -4.635 223 HZ2 LYS 45 HZ2 LYS 45 0.626 12.804 -4.080 224 HZ3 LYS 45 HZ3 LYS 45 0.623 13.311 -5.699 225 H LYS 46 HN LYS 46 4.860 6.790 -4.456 226 HA LYS 46 HA LYS 46 2.949 6.643 -6.594 227 HB2 LYS 46 HB2 LYS 46 5.435 6.678 -6.924 228 HB3 LYS 46 HB1 LYS 46 5.498 5.056 -6.251 229 HG2 LYS 46 HG2 LYS 46 4.319 4.143 -8.077 230 HG3 LYS 46 HG1 LYS 46 3.834 5.729 -8.658 231 HD2 LYS 46 HD2 LYS 46 6.718 4.919 -8.485 232 HD3 LYS 46 HD1 LYS 46 5.728 4.549 -9.903 233 HE2 LYS 46 HE2 LYS 46 5.394 6.829 -10.385 234 HE3 LYS 46 HE1 LYS 46 5.965 7.335 -8.795 235 HZ1 LYS 46 HZ1 LYS 46 8.176 6.671 -9.369 236 HZ2 LYS 46 HZ2 LYS 46 7.593 7.709 -10.575 237 HZ3 LYS 46 HZ3 LYS 46 7.663 6.044 -10.857 238 H LEU 47 HN LEU 47 3.518 4.882 -3.752 239 HA LEU 47 HA LEU 47 2.680 2.308 -4.568 240 HB2 LEU 47 HB2 LEU 47 3.036 3.723 -1.991 241 HB3 LEU 47 HB1 LEU 47 1.950 2.350 -1.973 242 HG LEU 47 HG LEU 47 4.228 1.746 -1.307 243 HD11 LEU 47 HD11 LEU 47 3.247 0.554 -3.869 244 HD12 LEU 47 HD12 LEU 47 2.873 0.035 -2.229 245 HD13 LEU 47 HD13 LEU 47 4.508 -0.148 -2.858 246 HD21 LEU 47 HD21 LEU 47 4.900 2.822 -4.018 247 HD22 LEU 47 HD22 LEU 47 5.922 1.629 -3.223 248 HD23 LEU 47 HD23 LEU 47 5.644 3.192 -2.463 249 H LYS 48 HN LYS 48 0.992 5.136 -3.396 250 HA LYS 48 HA LYS 48 -1.544 3.992 -3.034 251 HB2 LYS 48 HB2 LYS 48 -0.933 6.841 -3.834 252 HB3 LYS 48 HB1 LYS 48 -2.375 6.258 -3.010 253 HG2 LYS 48 HG2 LYS 48 -1.041 5.662 -1.062 254 HG3 LYS 48 HG1 LYS 48 0.420 6.202 -1.890 255 HD2 LYS 48 HD2 LYS 48 -0.190 7.982 -0.474 256 HD3 LYS 48 HD1 LYS 48 -0.722 8.468 -2.085 257 HE2 LYS 48 HE2 LYS 48 -2.984 7.901 -1.581 258 HE3 LYS 48 HE1 LYS 48 -2.513 7.142 -0.063 259 HZ1 LYS 48 HZ1 LYS 48 -3.474 9.521 -0.061 260 HZ2 LYS 48 HZ2 LYS 48 -1.911 9.986 -0.521 261 HZ3 LYS 48 HZ3 LYS 48 -2.161 9.159 0.938 262 H GLU 49 HN GLU 49 -0.100 5.613 -5.849 263 HA GLU 49 HA GLU 49 -2.431 5.310 -7.461 264 HB2 GLU 49 HB2 GLU 49 -0.569 5.718 -9.327 265 HB3 GLU 49 HB1 GLU 49 -1.208 7.019 -8.335 266 HG2 GLU 49 HG2 GLU 49 0.713 6.865 -6.860 267 HG3 GLU 49 HG1 GLU 49 1.336 5.507 -7.794 268 H SER 50 HN SER 50 0.437 3.362 -6.894 269 HA SER 50 HA SER 50 0.177 1.621 -9.092 270 HB2 SER 50 HB2 SER 50 1.359 1.115 -6.353 271 HB3 SER 50 HB1 SER 50 1.555 0.046 -7.741 272 HG SER 50 HG SER 50 2.471 2.724 -7.464 273 H TYR 51 HN TYR 51 -1.179 1.485 -5.815 274 HA TYR 51 HA TYR 51 -2.401 -1.056 -6.088 275 HB2 TYR 51 HB2 TYR 51 -2.057 -0.073 -3.883 276 HB3 TYR 51 HB1 TYR 51 -3.112 1.274 -4.290 277 HD1 TYR 51 HD1 TYR 51 -3.114 -2.430 -3.865 278 HD2 TYR 51 HD2 TYR 51 -5.397 1.162 -3.810 279 HE1 TYR 51 HE1 TYR 51 -5.044 -3.673 -2.991 280 HE2 TYR 51 HE2 TYR 51 -7.330 -0.079 -2.935 281 HH TYR 51 HH TYR 51 -7.079 -3.389 -1.887 282 H CYS 52 HN CYS 52 -3.628 2.244 -6.490 283 HA CYS 52 HA CYS 52 -6.261 1.585 -7.152 284 HB2 CYS 52 HB2 CYS 52 -4.569 3.961 -7.923 285 HB3 CYS 52 HB1 CYS 52 -6.299 3.852 -8.236 286 HG CYS 52 HG CYS 52 -7.156 4.304 -5.804 287 H GLN 53 HN GLN 53 -3.369 1.797 -9.143 288 HA GLN 53 HA GLN 53 -4.670 1.565 -11.649 289 HB2 GLN 53 HB2 GLN 53 -1.892 1.384 -10.646 290 HB3 GLN 53 HB1 GLN 53 -2.220 0.556 -12.163 291 HG2 GLN 53 HG2 GLN 53 -2.977 2.588 -13.177 292 HG3 GLN 53 HG1 GLN 53 -2.875 3.444 -11.641 293 HE21 GLN 53 HE21 GLN 53 -1.560 3.829 -14.289 294 HE22 GLN 53 HE22 GLN 53 0.130 3.914 -13.932 295 H ARG 54 HN ARG 54 -3.724 -0.747 -9.237 296 HA ARG 54 HA ARG 54 -3.902 -3.026 -10.995 297 HB2 ARG 54 HB2 ARG 54 -2.402 -2.950 -9.001 298 HB3 ARG 54 HB1 ARG 54 -3.829 -2.960 -7.974 299 HG2 ARG 54 HG2 ARG 54 -3.379 -5.178 -7.945 300 HG3 ARG 54 HG1 ARG 54 -4.362 -5.138 -9.406 301 HD2 ARG 54 HD2 ARG 54 -2.393 -5.094 -10.788 302 HD3 ARG 54 HD1 ARG 54 -1.354 -4.934 -9.371 303 HE ARG 54 HE ARG 54 -3.040 -7.301 -9.504 304 HH11 ARG 54 HH11 ARG 54 0.140 -5.908 -9.992 305 HH12 ARG 54 HH12 ARG 54 0.954 -7.442 -9.946 306 HH21 ARG 54 HH21 ARG 54 -1.977 -9.305 -9.435 307 HH22 ARG 54 HH22 ARG 54 -0.250 -9.372 -9.626 308 H GLN 55 HN GLN 55 -5.994 -1.350 -8.734 309 HA GLN 55 HA GLN 55 -8.035 -3.414 -8.945 310 HB2 GLN 55 HB2 GLN 55 -8.123 -0.767 -7.490 311 HB3 GLN 55 HB1 GLN 55 -9.304 -2.060 -7.355 312 HG2 GLN 55 HG2 GLN 55 -6.452 -2.065 -6.412 313 HG3 GLN 55 HG1 GLN 55 -7.917 -2.151 -5.436 314 HE21 GLN 55 HE21 GLN 55 -9.163 -4.090 -5.508 315 HE22 GLN 55 HE22 GLN 55 -8.417 -5.597 -5.918 316 H GLY 56 HN GLY 56 -7.124 -0.639 -10.630 317 HA2 GLY 56 HA2 GLY 56 -8.065 0.256 -12.545 318 HA3 GLY 56 HA1 GLY 56 -9.444 -0.813 -12.326 319 H VAL 57 HN VAL 57 -8.048 1.699 -10.235 320 HA VAL 57 HA VAL 57 -10.503 3.274 -10.517 321 HB VAL 57 HB VAL 57 -10.327 3.675 -7.953 322 HG11 VAL 57 HG11 VAL 57 -11.851 1.805 -7.506 323 HG12 VAL 57 HG12 VAL 57 -11.400 1.080 -9.049 324 HG13 VAL 57 HG13 VAL 57 -12.242 2.629 -9.016 325 HG21 VAL 57 HG21 VAL 57 -9.583 1.654 -6.716 326 HG22 VAL 57 HG22 VAL 57 -8.274 2.518 -7.521 327 HG23 VAL 57 HG23 VAL 57 -8.909 1.032 -8.222 328 HA PRO 58 HA PRO 58 -7.725 6.727 -10.486 329 HB2 PRO 58 HB2 PRO 58 -9.182 8.656 -9.260 330 HB3 PRO 58 HB1 PRO 58 -9.560 8.072 -10.888 331 HG2 PRO 58 HG2 PRO 58 -10.818 7.310 -8.288 332 HG3 PRO 58 HG1 PRO 58 -11.594 7.680 -9.840 333 HD2 PRO 58 HD2 PRO 58 -11.217 5.149 -9.021 334 HD3 PRO 58 HD1 PRO 58 -11.132 5.608 -10.734 335 H MET 59 HN MET 59 -6.824 8.491 -8.926 336 HA MET 59 HA MET 59 -5.871 7.103 -6.580 337 HB2 MET 59 HB2 MET 59 -4.482 8.617 -8.105 338 HB3 MET 59 HB1 MET 59 -5.280 9.967 -7.312 339 HG2 MET 59 HG2 MET 59 -4.423 9.175 -5.146 340 HG3 MET 59 HG1 MET 59 -3.568 7.880 -5.981 341 HE1 MET 59 HE1 MET 59 -0.670 10.282 -4.900 342 HE2 MET 59 HE2 MET 59 -1.176 8.595 -4.985 343 HE3 MET 59 HE3 MET 59 -2.097 9.744 -4.014 344 H ASN 60 HN ASN 60 -6.057 7.845 -4.433 345 HA ASN 60 HA ASN 60 -7.060 8.714 -2.596 346 HB2 ASN 60 HB2 ASN 60 -6.790 10.906 -3.968 347 HB3 ASN 60 HB1 ASN 60 -8.516 10.750 -4.264 348 HD21 ASN 60 HD21 ASN 60 -9.914 11.389 -2.730 349 HD22 ASN 60 HD22 ASN 60 -9.457 11.956 -1.161 350 H SER 61 HN SER 61 -8.195 6.633 -4.207 351 HA SER 61 HA SER 61 -11.079 6.995 -3.884 352 HB2 SER 61 HB2 SER 61 -11.058 4.670 -5.036 353 HB3 SER 61 HB1 SER 61 -10.624 6.084 -5.996 354 HG SER 61 HG SER 61 -8.723 5.258 -6.280 355 H LEU 62 HN LEU 62 -8.361 5.225 -2.632 356 HA LEU 62 HA LEU 62 -10.104 4.094 -0.561 357 HB2 LEU 62 HB2 LEU 62 -7.900 2.652 -2.035 358 HB3 LEU 62 HB1 LEU 62 -8.659 2.050 -0.576 359 HG LEU 62 HG LEU 62 -10.807 2.532 -2.253 360 HD11 LEU 62 HD11 LEU 62 -10.287 1.467 -4.351 361 HD12 LEU 62 HD12 LEU 62 -8.612 1.234 -3.856 362 HD13 LEU 62 HD13 LEU 62 -9.234 2.862 -4.121 363 HD21 LEU 62 HD21 LEU 62 -9.308 -0.046 -1.814 364 HD22 LEU 62 HD22 LEU 62 -10.984 0.105 -2.344 365 HD23 LEU 62 HD23 LEU 62 -10.518 0.640 -0.729 366 H ARG 63 HN ARG 63 -9.278 4.049 1.478 367 HA ARG 63 HA ARG 63 -6.844 5.622 1.871 368 HB2 ARG 63 HB2 ARG 63 -7.593 5.824 4.214 369 HB3 ARG 63 HB1 ARG 63 -8.802 6.405 3.078 370 HG2 ARG 63 HG2 ARG 63 -10.023 4.293 3.316 371 HG3 ARG 63 HG1 ARG 63 -8.819 3.737 4.478 372 HD2 ARG 63 HD2 ARG 63 -9.426 5.440 6.035 373 HD3 ARG 63 HD1 ARG 63 -10.443 6.248 4.843 374 HE ARG 63 HE ARG 63 -11.095 3.870 6.387 375 HH11 ARG 63 HH11 ARG 63 -11.943 6.017 3.741 376 HH12 ARG 63 HH12 ARG 63 -13.596 5.484 3.679 377 HH21 ARG 63 HH21 ARG 63 -14.348 3.858 5.130 378 HH22 ARG 63 HH22 ARG 63 -13.261 3.142 6.281 379 H PHE 64 HN PHE 64 -5.052 4.851 2.820 380 HA PHE 64 HA PHE 64 -4.969 1.973 3.377 381 HB2 PHE 64 HB2 PHE 64 -2.680 3.913 2.954 382 HB3 PHE 64 HB1 PHE 64 -2.541 2.166 3.124 383 HD1 PHE 64 HD1 PHE 64 -3.027 4.891 0.868 384 HD2 PHE 64 HD2 PHE 64 -3.627 0.706 1.358 385 HE1 PHE 64 HE1 PHE 64 -3.276 4.646 -1.566 386 HE2 PHE 64 HE2 PHE 64 -3.872 0.451 -1.076 387 HZ PHE 64 HZ PHE 64 -3.696 2.425 -2.541 388 H LEU 65 HN LEU 65 -5.212 1.465 5.435 389 HA LEU 65 HA LEU 65 -4.397 3.416 7.468 390 HB2 LEU 65 HB2 LEU 65 -6.293 1.081 7.655 391 HB3 LEU 65 HB1 LEU 65 -5.871 2.133 8.991 392 HG LEU 65 HG LEU 65 -7.276 3.019 6.470 393 HD11 LEU 65 HD11 LEU 65 -8.324 2.478 9.240 394 HD12 LEU 65 HD12 LEU 65 -8.731 1.607 7.761 395 HD13 LEU 65 HD13 LEU 65 -9.229 3.289 7.963 396 HD21 LEU 65 HD21 LEU 65 -5.985 4.818 7.406 397 HD22 LEU 65 HD22 LEU 65 -6.604 4.475 9.022 398 HD23 LEU 65 HD23 LEU 65 -7.688 5.086 7.771 399 H PHE 66 HN PHE 66 -2.812 3.053 8.779 400 HA PHE 66 HA PHE 66 -1.830 0.325 9.206 401 HB2 PHE 66 HB2 PHE 66 -0.393 1.289 7.479 402 HB3 PHE 66 HB1 PHE 66 -0.137 2.724 8.462 403 HD1 PHE 66 HD1 PHE 66 0.124 -0.966 8.998 404 HD2 PHE 66 HD2 PHE 66 1.960 2.859 9.359 405 HE1 PHE 66 HE1 PHE 66 2.101 -2.016 10.008 406 HE2 PHE 66 HE2 PHE 66 3.945 1.811 10.374 407 HZ PHE 66 HZ PHE 66 4.012 -0.629 10.698 408 H GLU 67 HN GLU 67 -1.915 -0.026 11.317 409 HA GLU 67 HA GLU 67 -1.840 0.243 13.565 410 HB2 GLU 67 HB2 GLU 67 0.029 2.457 12.738 411 HB3 GLU 67 HB1 GLU 67 -0.311 2.102 14.425 412 HG2 GLU 67 HG2 GLU 67 0.795 0.110 12.462 413 HG3 GLU 67 HG1 GLU 67 1.771 1.066 13.578 414 H GLY 68 HN GLY 68 -3.925 1.520 11.986 415 HA2 GLY 68 HA2 GLY 68 -5.856 2.611 12.760 416 HA3 GLY 68 HA1 GLY 68 -4.909 3.319 14.060 417 H GLN 69 HN GLN 69 -2.807 4.253 12.258 418 HA GLN 69 HA GLN 69 -4.071 6.736 11.481 419 HB2 GLN 69 HB2 GLN 69 -1.189 5.823 11.371 420 HB3 GLN 69 HB1 GLN 69 -1.738 7.436 10.928 421 HG2 GLN 69 HG2 GLN 69 -2.514 7.834 13.177 422 HG3 GLN 69 HG1 GLN 69 -2.090 6.188 13.644 423 HE21 GLN 69 HE21 GLN 69 -1.189 8.729 14.730 424 HE22 GLN 69 HE22 GLN 69 0.533 8.724 14.595 425 H ARG 70 HN ARG 70 -3.179 7.683 9.280 426 HA ARG 70 HA ARG 70 -3.659 5.590 7.264 427 HB2 ARG 70 HB2 ARG 70 -4.732 7.245 5.875 428 HB3 ARG 70 HB1 ARG 70 -5.484 7.255 7.463 429 HG2 ARG 70 HG2 ARG 70 -4.349 9.266 8.066 430 HG3 ARG 70 HG1 ARG 70 -3.366 9.211 6.602 431 HD2 ARG 70 HD2 ARG 70 -6.307 9.754 6.857 432 HD3 ARG 70 HD1 ARG 70 -5.057 10.798 6.183 433 HE ARG 70 HE ARG 70 -4.893 8.829 4.476 434 HH11 ARG 70 HH11 ARG 70 -8.787 9.799 4.525 435 HH12 ARG 70 HH12 ARG 70 -7.785 10.192 5.884 436 HH21 ARG 70 HH21 ARG 70 -7.901 8.711 2.710 437 HH22 ARG 70 HH22 ARG 70 -6.214 8.278 2.702 438 H ILE 71 HN ILE 71 -2.534 5.665 5.327 439 HA ILE 71 HA ILE 71 0.119 6.797 5.532 440 HB ILE 71 HB ILE 71 -1.113 5.222 3.262 441 HG12 ILE 71 HG12 ILE 71 -1.093 3.911 5.321 442 HG13 ILE 71 HG11 ILE 71 0.109 3.294 4.193 443 HG21 ILE 71 HG21 ILE 71 0.771 6.436 2.457 444 HG22 ILE 71 HG22 ILE 71 1.282 4.762 2.690 445 HG23 ILE 71 HG23 ILE 71 1.731 5.994 3.869 446 HD11 ILE 71 HD11 ILE 71 0.611 4.989 6.629 447 HD12 ILE 71 HD12 ILE 71 1.848 4.531 5.456 448 HD13 ILE 71 HD13 ILE 71 1.027 3.290 6.403 449 H ALA 72 HN ALA 72 0.628 8.742 4.826 450 HA ALA 72 HA ALA 72 -1.230 10.208 3.132 451 HB1 ALA 72 HB1 ALA 72 1.319 11.162 4.436 452 HB2 ALA 72 HB2 ALA 72 -0.282 11.247 5.169 453 HB3 ALA 72 HB3 ALA 72 0.066 12.164 3.704 454 H ASP 73 HN ASP 73 0.127 11.851 1.645 455 HA ASP 73 HA ASP 73 1.202 10.213 -0.434 456 HB2 ASP 73 HB2 ASP 73 0.622 13.117 -0.086 457 HB3 ASP 73 HB1 ASP 73 1.746 12.650 -1.356 458 H ASN 74 HN ASN 74 2.497 12.194 2.102 459 HA ASN 74 HA ASN 74 5.211 11.848 1.042 460 HB2 ASN 74 HB2 ASN 74 5.861 13.604 2.688 461 HB3 ASN 74 HB1 ASN 74 4.698 14.161 1.494 462 HD21 ASN 74 HD21 ASN 74 5.438 14.926 4.336 463 HD22 ASN 74 HD22 ASN 74 3.913 15.045 5.142 464 H HIS 75 HN HIS 75 4.809 9.542 1.777 465 HA HIS 75 HA HIS 75 5.830 9.297 4.517 466 HB2 HIS 75 HB2 HIS 75 3.359 8.146 3.405 467 HB3 HIS 75 HB1 HIS 75 4.382 6.993 4.245 468 HD2 HIS 75 HD2 HIS 75 5.331 9.122 6.635 469 HE1 HIS 75 HE1 HIS 75 1.185 9.092 7.480 470 HE2 HIS 75 HE2 HIS 75 3.488 9.649 8.381 471 H THR 76 HN THR 76 7.351 7.751 4.841 472 HA THR 76 HA THR 76 8.230 6.265 2.453 473 HB THR 76 HB THR 76 10.494 6.227 3.686 474 HG1 THR 76 HG1 THR 76 9.054 8.167 5.179 475 HG21 THR 76 HG21 THR 76 10.272 7.496 1.681 476 HG22 THR 76 HG22 THR 76 11.057 8.542 2.866 477 HG23 THR 76 HG23 THR 76 9.342 8.747 2.502 478 HA PRO 77 HA PRO 77 7.383 2.468 4.561 479 HB2 PRO 77 HB2 PRO 77 9.916 1.462 3.392 480 HB3 PRO 77 HB1 PRO 77 8.269 0.831 3.239 481 HG2 PRO 77 HG2 PRO 77 9.424 2.093 1.210 482 HG3 PRO 77 HG1 PRO 77 7.697 2.306 1.565 483 HD2 PRO 77 HD2 PRO 77 9.979 4.143 2.131 484 HD3 PRO 77 HD1 PRO 77 8.328 4.520 1.604 485 H LYS 78 HN LYS 78 10.565 3.933 4.850 486 HA LYS 78 HA LYS 78 11.450 2.228 6.957 487 HB2 LYS 78 HB2 LYS 78 13.018 3.461 5.506 488 HB3 LYS 78 HB1 LYS 78 12.441 4.977 6.181 489 HG2 LYS 78 HG2 LYS 78 14.553 4.345 7.181 490 HG3 LYS 78 HG1 LYS 78 13.267 4.317 8.387 491 HD2 LYS 78 HD2 LYS 78 14.583 2.374 8.746 492 HD3 LYS 78 HD1 LYS 78 13.091 1.833 7.978 493 HE2 LYS 78 HE2 LYS 78 14.326 1.914 5.785 494 HE3 LYS 78 HE1 LYS 78 15.799 2.189 6.712 495 HZ1 LYS 78 HZ1 LYS 78 14.057 -0.203 6.745 496 HZ2 LYS 78 HZ2 LYS 78 15.239 0.075 7.919 497 HZ3 LYS 78 HZ3 LYS 78 15.687 -0.110 6.299 498 H GLU 79 HN GLU 79 9.780 5.342 6.859 499 HA GLU 79 HA GLU 79 10.034 5.730 9.697 500 HB2 GLU 79 HB2 GLU 79 8.863 7.756 9.407 501 HB3 GLU 79 HB1 GLU 79 9.851 7.588 7.966 502 HG2 GLU 79 HG2 GLU 79 7.861 6.712 6.773 503 HG3 GLU 79 HG1 GLU 79 6.903 7.060 8.212 504 H LEU 80 HN LEU 80 7.886 6.269 10.892 505 HA LEU 80 HA LEU 80 5.948 5.588 11.831 506 HB2 LEU 80 HB2 LEU 80 5.557 4.228 9.175 507 HB3 LEU 80 HB1 LEU 80 4.398 4.077 10.482 508 HG LEU 80 HG LEU 80 5.195 6.648 9.113 509 HD11 LEU 80 HD11 LEU 80 3.117 6.610 8.041 510 HD12 LEU 80 HD12 LEU 80 2.505 5.328 9.084 511 HD13 LEU 80 HD13 LEU 80 3.733 4.968 7.874 512 HD21 LEU 80 HD21 LEU 80 3.329 7.618 10.424 513 HD22 LEU 80 HD22 LEU 80 4.690 7.099 11.415 514 HD23 LEU 80 HD23 LEU 80 3.232 6.110 11.331 515 H GLY 81 HN GLY 81 7.491 2.893 10.087 516 HA2 GLY 81 HA2 GLY 81 8.693 1.301 11.585 517 HA3 GLY 81 HA1 GLY 81 7.248 1.327 12.585 518 H MET 82 HN MET 82 8.158 0.715 9.190 519 HA MET 82 HA MET 82 6.083 -1.346 9.089 520 HB2 MET 82 HB2 MET 82 7.650 0.073 6.941 521 HB3 MET 82 HB1 MET 82 6.678 -1.351 6.601 522 HG2 MET 82 HG2 MET 82 4.689 -0.182 7.425 523 HG3 MET 82 HG1 MET 82 5.671 1.248 7.735 524 HE1 MET 82 HE1 MET 82 2.933 0.678 5.672 525 HE2 MET 82 HE2 MET 82 3.333 2.020 4.597 526 HE3 MET 82 HE3 MET 82 3.510 2.205 6.343 527 H GLU 83 HN GLU 83 6.533 -3.476 8.472 528 HA GLU 83 HA GLU 83 9.339 -4.253 8.258 529 HB2 GLU 83 HB2 GLU 83 7.741 -4.636 10.621 530 HB3 GLU 83 HB1 GLU 83 8.160 -6.197 9.926 531 HG2 GLU 83 HG2 GLU 83 10.067 -4.015 10.742 532 HG3 GLU 83 HG1 GLU 83 9.806 -5.554 11.558 533 H GLU 84 HN GLU 84 9.395 -6.760 7.993 534 HA GLU 84 HA GLU 84 7.851 -7.344 5.641 535 HB2 GLU 84 HB2 GLU 84 10.181 -8.005 5.763 536 HB3 GLU 84 HB1 GLU 84 9.880 -8.934 7.222 537 HG2 GLU 84 HG2 GLU 84 10.145 -10.378 5.298 538 HG3 GLU 84 HG1 GLU 84 8.517 -10.499 5.960 539 H GLU 85 HN GLU 85 6.418 -9.100 5.361 540 HA GLU 85 HA GLU 85 4.688 -10.468 5.882 541 HB2 GLU 85 HB2 GLU 85 6.365 -10.895 8.353 542 HB3 GLU 85 HB1 GLU 85 4.882 -11.782 8.040 543 HG2 GLU 85 HG2 GLU 85 6.981 -11.771 5.940 544 HG3 GLU 85 HG1 GLU 85 7.245 -12.741 7.389 545 H ASP 86 HN ASP 86 4.517 -7.631 6.577 546 HA ASP 86 HA ASP 86 2.784 -7.734 8.941 547 HB2 ASP 86 HB2 ASP 86 4.714 -5.979 8.550 548 HB3 ASP 86 HB1 ASP 86 3.476 -5.156 7.604 549 H VAL 87 HN VAL 87 0.767 -6.476 8.865 550 HA VAL 87 HA VAL 87 -0.481 -6.729 6.207 551 HB VAL 87 HB VAL 87 -2.652 -6.958 7.483 552 HG11 VAL 87 HG11 VAL 87 -1.796 -8.908 6.494 553 HG12 VAL 87 HG12 VAL 87 -2.149 -9.351 8.163 554 HG13 VAL 87 HG13 VAL 87 -0.488 -9.028 7.669 555 HG21 VAL 87 HG21 VAL 87 -1.861 -6.052 9.623 556 HG22 VAL 87 HG22 VAL 87 -0.796 -7.445 9.814 557 HG23 VAL 87 HG23 VAL 87 -2.546 -7.667 9.811 558 H ILE 88 HN ILE 88 -1.860 -5.153 5.472 559 HA ILE 88 HA ILE 88 -2.039 -2.689 7.076 560 HB ILE 88 HB ILE 88 -0.303 -2.476 5.293 561 HG12 ILE 88 HG12 ILE 88 -2.719 -0.716 4.823 562 HG13 ILE 88 HG11 ILE 88 -1.593 -0.522 6.161 563 HG21 ILE 88 HG21 ILE 88 -2.646 -2.887 3.450 564 HG22 ILE 88 HG22 ILE 88 -1.207 -3.895 3.597 565 HG23 ILE 88 HG23 ILE 88 -1.076 -2.261 2.947 566 HD11 ILE 88 HD11 ILE 88 -1.074 1.055 4.428 567 HD12 ILE 88 HD12 ILE 88 -0.969 -0.238 3.233 568 HD13 ILE 88 HD13 ILE 88 0.220 -0.140 4.533 569 H GLU 89 HN GLU 89 -3.917 -1.392 6.648 570 HA GLU 89 HA GLU 89 -6.156 -3.003 5.635 571 HB2 GLU 89 HB2 GLU 89 -5.883 -0.843 7.669 572 HB3 GLU 89 HB1 GLU 89 -7.411 -0.980 6.812 573 HG2 GLU 89 HG2 GLU 89 -7.636 -3.282 7.560 574 HG3 GLU 89 HG1 GLU 89 -6.087 -3.169 8.395 575 H VAL 90 HN VAL 90 -7.692 -2.105 4.239 576 HA VAL 90 HA VAL 90 -7.192 0.506 3.081 577 HB VAL 90 HB VAL 90 -5.774 -0.929 1.704 578 HG11 VAL 90 HG11 VAL 90 -8.283 -2.509 1.165 579 HG12 VAL 90 HG12 VAL 90 -6.837 -3.072 2.004 580 HG13 VAL 90 HG13 VAL 90 -6.767 -2.691 0.283 581 HG21 VAL 90 HG21 VAL 90 -6.737 -0.408 -0.497 582 HG22 VAL 90 HG22 VAL 90 -6.848 0.947 0.626 583 HG23 VAL 90 HG23 VAL 90 -8.273 -0.031 0.282 584 H TYR 91 HN TYR 91 -9.079 1.499 2.867 585 HA TYR 91 HA TYR 91 -11.468 -0.079 2.206 586 HB2 TYR 91 HB2 TYR 91 -11.319 2.009 4.397 587 HB3 TYR 91 HB1 TYR 91 -12.792 1.224 3.844 588 HD1 TYR 91 HD1 TYR 91 -13.284 -1.077 4.456 589 HD2 TYR 91 HD2 TYR 91 -9.698 0.804 5.761 590 HE1 TYR 91 HE1 TYR 91 -12.940 -2.878 6.098 591 HE2 TYR 91 HE2 TYR 91 -9.352 -0.988 7.404 592 HH TYR 91 HH TYR 91 -10.241 -2.773 8.406 593 H GLN 92 HN GLN 92 -13.041 1.053 1.021 594 HA GLN 92 HA GLN 92 -12.037 3.094 -0.659 595 HB2 GLN 92 HB2 GLN 92 -13.872 1.397 -1.196 596 HB3 GLN 92 HB1 GLN 92 -14.959 2.451 -0.299 597 HG2 GLN 92 HG2 GLN 92 -13.967 4.280 -1.916 598 HG3 GLN 92 HG1 GLN 92 -13.634 2.877 -2.928 599 HE21 GLN 92 HE21 GLN 92 -16.062 4.906 -1.543 600 HE22 GLN 92 HE22 GLN 92 -17.397 4.277 -2.450 601 H GLU 93 HN GLU 93 -12.370 5.242 -0.729 602 HA GLU 93 HA GLU 93 -13.043 6.535 1.752 603 HB2 GLU 93 HB2 GLU 93 -12.248 7.642 -0.947 604 HB3 GLU 93 HB1 GLU 93 -12.469 8.613 0.502 605 HG2 GLU 93 HG2 GLU 93 -10.556 6.320 0.484 606 HG3 GLU 93 HG1 GLU 93 -10.097 7.887 -0.177 607 H GLN 94 HN GLN 94 -14.646 8.156 1.997 608 HA GLN 94 HA GLN 94 -17.145 7.484 0.809 609 HB2 GLN 94 HB2 GLN 94 -16.984 8.319 3.107 610 HB3 GLN 94 HB1 GLN 94 -16.370 9.856 2.518 611 HG2 GLN 94 HG2 GLN 94 -18.464 10.323 1.427 612 HG3 GLN 94 HG1 GLN 94 -19.082 8.734 1.872 613 HE21 GLN 94 HE21 GLN 94 -20.817 9.661 2.950 614 HE22 GLN 94 HE22 GLN 94 -20.635 10.418 4.495 615 H THR 95 HN THR 95 -14.647 9.753 0.108 616 HA THR 95 HA THR 95 -16.137 11.565 -1.474 617 HB THR 95 HB THR 95 -13.396 11.357 -2.331 618 HG1 THR 95 HG1 THR 95 -12.478 11.721 -0.211 619 HG21 THR 95 HG21 THR 95 -14.750 13.403 -2.372 620 HG22 THR 95 HG22 THR 95 -13.283 13.631 -1.421 621 HG23 THR 95 HG23 THR 95 -14.831 13.386 -0.612 622 H GLY 96 HN GLY 96 -14.806 8.430 -2.062 623 HA2 GLY 96 HA2 GLY 96 -15.423 7.067 -3.885 624 HA3 GLY 96 HA1 GLY 96 -15.845 8.511 -4.796 625 H GLY 97 HN GLY 97 -13.703 10.027 -4.878 626 HA2 GLY 97 HA2 GLY 97 -11.158 9.223 -5.024 627 HA3 GLY 97 HA1 GLY 97 -11.841 8.441 -6.445 628 H1 ASP 195 HN ASP 195 -5.589 -21.123 -5.871 629 HA ASP 195 HA ASP 195 -8.067 -20.494 -4.997 630 HB2 ASP 195 HB2 ASP 195 -6.892 -21.022 -2.705 631 HB3 ASP 195 HB1 ASP 195 -6.266 -19.387 -2.879 632 H THR 196 HN THR 196 -7.042 -17.821 -3.710 633 HA THR 196 HA THR 196 -6.122 -16.685 -6.273 634 HB THR 196 HB THR 196 -7.628 -15.074 -4.252 635 HG1 THR 196 HG1 THR 196 -8.799 -16.713 -6.278 636 HG21 THR 196 HG21 THR 196 -8.312 -13.819 -6.210 637 HG22 THR 196 HG22 THR 196 -7.532 -14.996 -7.266 638 HG23 THR 196 HG23 THR 196 -6.555 -13.985 -6.200 639 H ALA 197 HN ALA 197 -4.164 -15.898 -6.212 640 HA ALA 197 HA ALA 197 -3.219 -14.491 -3.804 641 HB1 ALA 197 HB1 ALA 197 -0.979 -15.393 -4.134 642 HB2 ALA 197 HB2 ALA 197 -1.541 -16.337 -5.513 643 HB3 ALA 197 HB3 ALA 197 -2.136 -16.700 -3.894 644 H GLY 198 HN GLY 198 -2.563 -12.444 -4.283 645 HA2 GLY 198 HA2 GLY 198 -1.825 -11.905 -7.092 646 HA3 GLY 198 HA1 GLY 198 -2.785 -10.782 -6.137 647 H CYS 199 HN CYS 199 0.158 -11.064 -7.391 648 HA CYS 199 HA CYS 199 1.425 -9.753 -5.072 649 HB2 CYS 199 HB2 CYS 199 2.922 -11.264 -7.212 650 HB3 CYS 199 HB1 CYS 199 3.523 -10.722 -5.648 651 HG CYS 199 HG CYS 199 1.660 -12.518 -4.295 652 H ILE 200 HN ILE 200 2.047 -7.699 -5.382 653 HA ILE 200 HA ILE 200 2.481 -6.783 -8.145 654 HB ILE 200 HB ILE 200 0.368 -5.923 -7.667 655 HG12 ILE 200 HG12 ILE 200 2.319 -3.727 -6.943 656 HG13 ILE 200 HG11 ILE 200 1.854 -4.206 -8.575 657 HG21 ILE 200 HG21 ILE 200 1.380 -5.196 -4.930 658 HG22 ILE 200 HG22 ILE 200 0.155 -6.395 -5.348 659 HG23 ILE 200 HG23 ILE 200 -0.173 -4.678 -5.581 660 HD11 ILE 200 HD11 ILE 200 0.133 -2.921 -6.469 661 HD12 ILE 200 HD12 ILE 200 -0.503 -3.610 -7.966 662 HD13 ILE 200 HD13 ILE 200 0.620 -2.255 -8.034 663 H VAL 201 HN VAL 201 4.344 -5.662 -8.485 664 HA VAL 201 HA VAL 201 5.751 -4.663 -6.106 665 HB VAL 201 HB VAL 201 6.802 -6.729 -7.039 666 HG11 VAL 201 HG11 VAL 201 8.107 -6.597 -9.085 667 HG12 VAL 201 HG12 VAL 201 7.521 -4.961 -9.370 668 HG13 VAL 201 HG13 VAL 201 6.399 -6.319 -9.421 669 HG21 VAL 201 HG21 VAL 201 8.070 -5.216 -5.667 670 HG22 VAL 201 HG22 VAL 201 8.433 -4.201 -7.059 671 HG23 VAL 201 HG23 VAL 201 9.099 -5.830 -6.959 672 H ILE 202 HN ILE 202 6.465 -2.620 -6.159 673 HA ILE 202 HA ILE 202 6.234 -1.112 -8.679 674 HB ILE 202 HB ILE 202 4.746 0.279 -7.748 675 HG12 ILE 202 HG12 ILE 202 5.472 1.237 -5.325 676 HG13 ILE 202 HG11 ILE 202 7.041 0.739 -5.935 677 HG21 ILE 202 HG21 ILE 202 5.100 -1.308 -5.208 678 HG22 ILE 202 HG22 ILE 202 3.950 -1.655 -6.506 679 HG23 ILE 202 HG23 ILE 202 3.780 -0.182 -5.540 680 HD11 ILE 202 HD11 ILE 202 6.728 3.016 -6.395 681 HD12 ILE 202 HD12 ILE 202 5.143 2.732 -7.117 682 HD13 ILE 202 HD13 ILE 202 6.597 2.163 -7.935 683 H SEP 203 HN SEP 203 7.931 0.286 -9.216 684 HA SEP 203 HA SEP 203 10.079 0.401 -7.210 685 HB2 SEP 203 HB1 SEP 203 10.347 0.514 -10.215 686 HB3 SEP 203 HB2 SEP 203 10.602 -0.934 -9.250 687 H ASP 204 HN ASP 204 10.351 2.278 -6.376 688 HA ASP 204 HA ASP 204 10.135 4.675 -8.012 689 HB2 ASP 204 HB2 ASP 204 8.062 4.239 -6.520 690 HB3 ASP 204 HB1 ASP 204 9.100 4.775 -5.220 691 H SEP 205 HN SEP 205 11.715 6.132 -7.628 692 HA SEP 205 HA SEP 205 13.413 5.700 -5.269 693 HB2 SEP 205 HB1 SEP 205 14.732 6.670 -7.638 694 HB3 SEP 205 HB2 SEP 205 14.110 5.011 -7.780 695 H GLU 206 HN GLU 206 14.066 7.513 -4.193 696 HA GLU 206 HA GLU 206 12.886 9.982 -4.513 697 HB2 GLU 206 HB2 GLU 206 14.098 9.425 -2.500 698 HB3 GLU 206 HB1 GLU 206 15.602 9.295 -3.396 699 HG2 GLU 206 HG2 GLU 206 15.396 11.366 -2.060 700 HG3 GLU 206 HG1 GLU 206 15.662 11.646 -3.782 Start of MODEL 13 1 H1 TYR 21 HN TYR 21 13.247 -7.383 -0.370 2 HA TYR 21 HA TYR 21 12.049 -4.948 -0.998 3 HB2 TYR 21 HB2 TYR 21 10.817 -7.330 -2.383 4 HB3 TYR 21 HB1 TYR 21 9.923 -5.854 -2.057 5 HD1 TYR 21 HD1 TYR 21 10.020 -4.061 -3.548 6 HD2 TYR 21 HD2 TYR 21 12.930 -7.152 -3.815 7 HE1 TYR 21 HE1 TYR 21 10.836 -3.103 -5.662 8 HE2 TYR 21 HE2 TYR 21 13.752 -6.201 -5.926 9 HH TYR 21 HH TYR 21 12.608 -3.115 -7.133 10 H ILE 22 HN ILE 22 10.132 -4.563 0.217 11 HA ILE 22 HA ILE 22 9.845 -6.385 2.495 12 HB ILE 22 HB ILE 22 8.700 -3.608 2.123 13 HG12 ILE 22 HG12 ILE 22 11.159 -3.556 2.118 14 HG13 ILE 22 HG11 ILE 22 10.509 -2.821 3.577 15 HG21 ILE 22 HG21 ILE 22 8.983 -5.296 4.602 16 HG22 ILE 22 HG22 ILE 22 7.482 -4.976 3.734 17 HG23 ILE 22 HG23 ILE 22 8.336 -3.656 4.533 18 HD11 ILE 22 HD11 ILE 22 11.699 -5.573 3.331 19 HD12 ILE 22 HD12 ILE 22 10.976 -4.908 4.796 20 HD13 ILE 22 HD13 ILE 22 12.426 -4.171 4.116 21 H LYS 23 HN LYS 23 8.256 -7.837 2.408 22 HA LYS 23 HA LYS 23 6.073 -7.444 0.520 23 HB2 LYS 23 HB2 LYS 23 7.370 -9.602 0.756 24 HB3 LYS 23 HB1 LYS 23 6.567 -9.822 2.302 25 HG2 LYS 23 HG2 LYS 23 4.472 -10.107 1.306 26 HG3 LYS 23 HG1 LYS 23 5.015 -9.429 -0.232 27 HD2 LYS 23 HD2 LYS 23 5.087 -11.645 -0.766 28 HD3 LYS 23 HD1 LYS 23 6.712 -11.461 -0.108 29 HE2 LYS 23 HE2 LYS 23 4.315 -12.430 1.439 30 HE3 LYS 23 HE1 LYS 23 5.539 -13.473 0.728 31 HZ1 LYS 23 HZ1 LYS 23 5.570 -12.146 3.219 32 HZ2 LYS 23 HZ2 LYS 23 6.881 -11.601 2.291 33 HZ3 LYS 23 HZ3 LYS 23 6.687 -13.256 2.591 34 H LEU 24 HN LEU 24 4.372 -6.360 1.150 35 HA LEU 24 HA LEU 24 3.503 -6.495 3.948 36 HB2 LEU 24 HB2 LEU 24 2.710 -4.579 1.749 37 HB3 LEU 24 HB1 LEU 24 2.176 -4.495 3.417 38 HG LEU 24 HG LEU 24 5.083 -4.313 2.664 39 HD11 LEU 24 HD11 LEU 24 3.092 -2.069 2.953 40 HD12 LEU 24 HD12 LEU 24 3.939 -2.538 1.480 41 HD13 LEU 24 HD13 LEU 24 4.841 -1.873 2.841 42 HD21 LEU 24 HD21 LEU 24 5.260 -3.218 4.844 43 HD22 LEU 24 HD22 LEU 24 4.587 -4.841 4.993 44 HD23 LEU 24 HD23 LEU 24 3.528 -3.435 5.094 45 H LYS 25 HN LYS 25 1.396 -7.053 4.476 46 HA LYS 25 HA LYS 25 0.042 -8.663 2.444 47 HB2 LYS 25 HB2 LYS 25 -0.415 -8.509 5.426 48 HB3 LYS 25 HB1 LYS 25 -1.191 -9.632 4.322 49 HG2 LYS 25 HG2 LYS 25 1.180 -10.413 3.750 50 HG3 LYS 25 HG1 LYS 25 1.666 -9.556 5.215 51 HD2 LYS 25 HD2 LYS 25 1.286 -11.840 5.802 52 HD3 LYS 25 HD1 LYS 25 -0.047 -10.889 6.457 53 HE2 LYS 25 HE2 LYS 25 -1.446 -11.538 4.561 54 HE3 LYS 25 HE1 LYS 25 -0.112 -12.474 3.893 55 HZ1 LYS 25 HZ1 LYS 25 -1.331 -12.988 6.547 56 HZ2 LYS 25 HZ2 LYS 25 -0.205 -13.956 5.735 57 HZ3 LYS 25 HZ3 LYS 25 -1.783 -13.799 5.126 58 H VAL 26 HN VAL 26 -1.357 -7.535 1.268 59 HA VAL 26 HA VAL 26 -3.021 -5.496 2.557 60 HB VAL 26 HB VAL 26 -2.899 -6.210 -0.382 61 HG11 VAL 26 HG11 VAL 26 -3.920 -3.734 1.005 62 HG12 VAL 26 HG12 VAL 26 -4.929 -5.028 0.358 63 HG13 VAL 26 HG13 VAL 26 -3.944 -4.051 -0.729 64 HG21 VAL 26 HG21 VAL 26 -1.429 -4.015 1.070 65 HG22 VAL 26 HG22 VAL 26 -1.433 -4.291 -0.671 66 HG23 VAL 26 HG23 VAL 26 -0.700 -5.478 0.408 67 H ILE 27 HN ILE 27 -4.736 -6.373 3.530 68 HA ILE 27 HA ILE 27 -6.067 -8.673 2.308 69 HB ILE 27 HB ILE 27 -6.603 -7.451 5.016 70 HG12 ILE 27 HG12 ILE 27 -4.274 -8.214 4.899 71 HG13 ILE 27 HG11 ILE 27 -5.223 -9.260 5.950 72 HG21 ILE 27 HG21 ILE 27 -7.676 -9.565 5.519 73 HG22 ILE 27 HG22 ILE 27 -7.277 -10.173 3.911 74 HG23 ILE 27 HG23 ILE 27 -8.409 -8.831 4.091 75 HD11 ILE 27 HD11 ILE 27 -4.256 -9.835 3.165 76 HD12 ILE 27 HD12 ILE 27 -5.445 -10.833 4.004 77 HD13 ILE 27 HD13 ILE 27 -3.818 -10.656 4.665 78 H GLY 28 HN GLY 28 -7.829 -8.400 1.141 79 HA2 GLY 28 HA2 GLY 28 -9.175 -5.831 1.103 80 HA3 GLY 28 HA1 GLY 28 -9.482 -7.190 0.031 81 H GLN 29 HN GLN 29 -11.632 -5.879 0.926 82 HA GLN 29 HA GLN 29 -12.683 -6.809 3.391 83 HB2 GLN 29 HB2 GLN 29 -13.430 -4.766 2.117 84 HB3 GLN 29 HB1 GLN 29 -14.247 -5.843 0.995 85 HG2 GLN 29 HG2 GLN 29 -15.844 -4.996 2.547 86 HG3 GLN 29 HG1 GLN 29 -15.597 -6.708 2.882 87 HE21 GLN 29 HE21 GLN 29 -14.809 -7.326 4.832 88 HE22 GLN 29 HE22 GLN 29 -14.465 -6.228 6.123 89 H ASP 30 HN ASP 30 -12.538 -8.145 0.213 90 HA ASP 30 HA ASP 30 -14.597 -10.132 0.722 91 HB2 ASP 30 HB2 ASP 30 -14.039 -10.929 -1.567 92 HB3 ASP 30 HB1 ASP 30 -14.463 -9.220 -1.522 93 H SER 31 HN SER 31 -11.808 -9.886 2.054 94 HA SER 31 HA SER 31 -10.255 -11.254 2.949 95 HB2 SER 31 HB2 SER 31 -12.300 -13.364 2.240 96 HB3 SER 31 HB1 SER 31 -10.864 -13.671 3.218 97 HG SER 31 HG SER 31 -13.182 -12.243 3.837 98 H SER 32 HN SER 32 -8.849 -10.625 1.255 99 HA SER 32 HA SER 32 -7.934 -12.907 -0.329 100 HB2 SER 32 HB2 SER 32 -7.461 -10.887 -2.086 101 HB3 SER 32 HB1 SER 32 -8.891 -11.917 -2.154 102 HG SER 32 HG SER 32 -10.082 -10.259 -1.667 103 H GLU 33 HN GLU 33 -5.792 -13.158 -0.047 104 HA GLU 33 HA GLU 33 -4.328 -11.051 1.324 105 HB2 GLU 33 HB2 GLU 33 -3.426 -13.838 0.584 106 HB3 GLU 33 HB1 GLU 33 -2.590 -12.726 1.656 107 HG2 GLU 33 HG2 GLU 33 -4.622 -12.798 3.135 108 HG3 GLU 33 HG1 GLU 33 -5.212 -14.116 2.123 109 H ILE 34 HN ILE 34 -3.880 -9.497 -0.200 110 HA ILE 34 HA ILE 34 -2.500 -10.336 -2.642 111 HB ILE 34 HB ILE 34 -3.202 -7.490 -1.944 112 HG12 ILE 34 HG12 ILE 34 -5.264 -8.858 -1.757 113 HG13 ILE 34 HG11 ILE 34 -5.325 -7.753 -3.125 114 HG21 ILE 34 HG21 ILE 34 -2.769 -8.949 -4.548 115 HG22 ILE 34 HG22 ILE 34 -1.678 -7.786 -3.796 116 HG23 ILE 34 HG23 ILE 34 -3.246 -7.257 -4.406 117 HD11 ILE 34 HD11 ILE 34 -6.233 -9.842 -3.806 118 HD12 ILE 34 HD12 ILE 34 -4.831 -10.718 -3.195 119 HD13 ILE 34 HD13 ILE 34 -4.665 -9.656 -4.592 120 H HIS 35 HN HIS 35 -0.380 -10.357 -2.703 121 HA HIS 35 HA HIS 35 1.145 -9.243 -0.512 122 HB2 HIS 35 HB2 HIS 35 2.017 -10.877 -2.901 123 HB3 HIS 35 HB1 HIS 35 3.054 -10.416 -1.558 124 HD2 HIS 35 HD2 HIS 35 0.784 -11.212 0.790 125 HE1 HIS 35 HE1 HIS 35 1.332 -15.068 -0.860 126 HE2 HIS 35 HE2 HIS 35 0.472 -13.762 1.138 127 H PHE 36 HN PHE 36 1.703 -7.200 -0.582 128 HA PHE 36 HA PHE 36 2.457 -6.007 -3.168 129 HB2 PHE 36 HB2 PHE 36 0.568 -5.079 -1.534 130 HB3 PHE 36 HB1 PHE 36 1.952 -4.346 -0.731 131 HD1 PHE 36 HD1 PHE 36 3.651 -3.616 -3.005 132 HD2 PHE 36 HD2 PHE 36 -0.567 -3.366 -2.534 133 HE1 PHE 36 HE1 PHE 36 3.577 -1.771 -4.626 134 HE2 PHE 36 HE2 PHE 36 -0.648 -1.526 -4.158 135 HZ PHE 36 HZ PHE 36 1.426 -0.727 -5.208 136 H LYS 37 HN LYS 37 4.603 -5.911 -3.447 137 HA LYS 37 HA LYS 37 6.276 -5.746 -1.040 138 HB2 LYS 37 HB2 LYS 37 8.101 -6.558 -2.694 139 HB3 LYS 37 HB1 LYS 37 6.923 -7.706 -2.072 140 HG2 LYS 37 HG2 LYS 37 5.605 -7.178 -4.227 141 HG3 LYS 37 HG1 LYS 37 7.130 -6.511 -4.808 142 HD2 LYS 37 HD2 LYS 37 6.685 -9.325 -3.812 143 HD3 LYS 37 HD1 LYS 37 6.875 -8.837 -5.497 144 HE2 LYS 37 HE2 LYS 37 9.139 -8.058 -5.019 145 HE3 LYS 37 HE1 LYS 37 8.949 -8.514 -3.326 146 HZ1 LYS 37 HZ1 LYS 37 8.978 -10.337 -5.669 147 HZ2 LYS 37 HZ2 LYS 37 8.612 -10.833 -4.096 148 HZ3 LYS 37 HZ3 LYS 37 10.147 -10.224 -4.456 149 H VAL 38 HN VAL 38 7.339 -3.980 -0.641 150 HA VAL 38 HA VAL 38 7.741 -2.024 -2.814 151 HB VAL 38 HB VAL 38 7.665 -0.261 -1.172 152 HG11 VAL 38 HG11 VAL 38 5.391 -0.397 -0.434 153 HG12 VAL 38 HG12 VAL 38 5.412 -2.159 -0.523 154 HG13 VAL 38 HG13 VAL 38 5.506 -1.199 -2.001 155 HG21 VAL 38 HG21 VAL 38 8.821 -1.442 0.648 156 HG22 VAL 38 HG22 VAL 38 7.367 -2.402 0.934 157 HG23 VAL 38 HG23 VAL 38 7.341 -0.658 1.205 158 H LYS 39 HN LYS 39 9.732 -0.705 -2.633 159 HA LYS 39 HA LYS 39 11.921 -2.315 -1.499 160 HB2 LYS 39 HB2 LYS 39 11.700 -1.637 -4.062 161 HB3 LYS 39 HB1 LYS 39 12.445 -0.157 -3.484 162 HG2 LYS 39 HG2 LYS 39 14.293 -1.501 -2.541 163 HG3 LYS 39 HG1 LYS 39 13.569 -2.936 -3.269 164 HD2 LYS 39 HD2 LYS 39 15.283 -2.168 -4.738 165 HD3 LYS 39 HD1 LYS 39 13.731 -1.785 -5.486 166 HE2 LYS 39 HE2 LYS 39 13.925 0.522 -4.620 167 HE3 LYS 39 HE1 LYS 39 15.515 0.119 -3.970 168 HZ1 LYS 39 HZ1 LYS 39 14.702 0.127 -6.828 169 HZ2 LYS 39 HZ2 LYS 39 16.208 -0.413 -6.259 170 HZ3 LYS 39 HZ3 LYS 39 15.768 1.207 -6.066 171 H MET 40 HN MET 40 13.661 -1.212 -0.431 172 HA MET 40 HA MET 40 12.734 0.975 1.178 173 HB2 MET 40 HB2 MET 40 14.190 -0.888 2.014 174 HB3 MET 40 HB1 MET 40 15.509 -0.209 1.071 175 HG2 MET 40 HG2 MET 40 15.474 0.371 3.515 176 HG3 MET 40 HG1 MET 40 15.609 1.724 2.395 177 HE1 MET 40 HE1 MET 40 12.327 -0.334 3.309 178 HE2 MET 40 HE2 MET 40 11.764 0.602 4.691 179 HE3 MET 40 HE3 MET 40 13.285 -0.284 4.786 180 H THR 41 HN THR 41 12.381 2.325 -0.728 181 HA THR 41 HA THR 41 14.111 4.484 -0.887 182 HB THR 41 HB THR 41 14.767 2.326 -2.791 183 HG1 THR 41 HG1 THR 41 16.014 4.588 -1.651 184 HG21 THR 41 HG21 THR 41 15.140 3.682 -4.730 185 HG22 THR 41 HG22 THR 41 14.666 5.144 -3.869 186 HG23 THR 41 HG23 THR 41 13.449 3.913 -4.251 187 H THR 42 HN THR 42 11.753 2.440 -2.448 188 HA THR 42 HA THR 42 10.634 4.404 -4.149 189 HB THR 42 HB THR 42 8.874 2.832 -4.575 190 HG1 THR 42 HG1 THR 42 8.828 2.341 -2.079 191 HG21 THR 42 HG21 THR 42 11.110 2.185 -5.384 192 HG22 THR 42 HG22 THR 42 10.084 0.788 -5.059 193 HG23 THR 42 HG23 THR 42 11.349 1.243 -3.919 194 H HIS 43 HN HIS 43 9.639 6.204 -3.418 195 HA HIS 43 HA HIS 43 8.648 6.460 -0.776 196 HB2 HIS 43 HB2 HIS 43 7.365 8.470 -2.238 197 HB3 HIS 43 HB1 HIS 43 8.857 8.629 -1.329 198 HD2 HIS 43 HD2 HIS 43 11.244 8.297 -2.978 199 HE1 HIS 43 HE1 HIS 43 9.129 9.400 -6.476 200 HE2 HIS 43 HE2 HIS 43 11.416 9.032 -5.460 201 H LEU 44 HN LEU 44 6.557 6.375 0.013 202 HA LEU 44 HA LEU 44 4.864 4.504 -1.216 203 HB2 LEU 44 HB2 LEU 44 4.451 6.355 1.113 204 HB3 LEU 44 HB1 LEU 44 3.216 5.232 0.576 205 HG LEU 44 HG LEU 44 5.988 4.395 1.431 206 HD11 LEU 44 HD11 LEU 44 4.888 5.301 3.353 207 HD12 LEU 44 HD12 LEU 44 4.842 3.543 3.467 208 HD13 LEU 44 HD13 LEU 44 3.401 4.433 2.976 209 HD21 LEU 44 HD21 LEU 44 4.982 2.817 -0.075 210 HD22 LEU 44 HD22 LEU 44 3.472 2.846 0.833 211 HD23 LEU 44 HD23 LEU 44 4.925 2.157 1.559 212 H LYS 45 HN LYS 45 5.300 7.650 -2.027 213 HA LYS 45 HA LYS 45 2.790 8.693 -2.575 214 HB2 LYS 45 HB2 LYS 45 4.816 10.007 -2.784 215 HB3 LYS 45 HB1 LYS 45 5.406 8.961 -4.065 216 HG2 LYS 45 HG2 LYS 45 4.614 10.992 -5.035 217 HG3 LYS 45 HG1 LYS 45 3.507 9.686 -5.473 218 HD2 LYS 45 HD2 LYS 45 1.994 10.379 -3.677 219 HD3 LYS 45 HD1 LYS 45 3.096 11.691 -3.261 220 HE2 LYS 45 HE2 LYS 45 2.802 12.575 -5.572 221 HE3 LYS 45 HE1 LYS 45 1.577 11.335 -5.836 222 HZ1 LYS 45 HZ1 LYS 45 1.492 13.569 -3.892 223 HZ2 LYS 45 HZ2 LYS 45 0.399 12.273 -3.862 224 HZ3 LYS 45 HZ3 LYS 45 0.458 13.304 -5.208 225 H LYS 46 HN LYS 46 4.925 6.830 -4.725 226 HA LYS 46 HA LYS 46 2.926 6.561 -6.762 227 HB2 LYS 46 HB2 LYS 46 5.424 6.660 -7.109 228 HB3 LYS 46 HB1 LYS 46 5.501 5.027 -6.479 229 HG2 LYS 46 HG2 LYS 46 4.234 4.178 -8.316 230 HG3 LYS 46 HG1 LYS 46 3.889 5.816 -8.890 231 HD2 LYS 46 HD2 LYS 46 6.725 4.912 -8.567 232 HD3 LYS 46 HD1 LYS 46 5.817 4.444 -10.008 233 HE2 LYS 46 HE2 LYS 46 5.594 6.627 -10.728 234 HE3 LYS 46 HE1 LYS 46 5.802 7.280 -9.107 235 HZ1 LYS 46 HZ1 LYS 46 7.729 7.765 -10.394 236 HZ2 LYS 46 HZ2 LYS 46 7.918 6.150 -10.847 237 HZ3 LYS 46 HZ3 LYS 46 8.160 6.609 -9.231 238 H LEU 47 HN LEU 47 3.908 4.751 -3.984 239 HA LEU 47 HA LEU 47 2.984 2.201 -4.735 240 HB2 LEU 47 HB2 LEU 47 3.554 3.551 -2.145 241 HB3 LEU 47 HB1 LEU 47 2.627 2.066 -2.112 242 HG LEU 47 HG LEU 47 4.843 1.396 -1.756 243 HD11 LEU 47 HD11 LEU 47 3.580 0.157 -3.518 244 HD12 LEU 47 HD12 LEU 47 5.334 -0.019 -3.551 245 HD13 LEU 47 HD13 LEU 47 4.537 1.046 -4.702 246 HD21 LEU 47 HD21 LEU 47 5.580 3.290 -3.966 247 HD22 LEU 47 HD22 LEU 47 6.681 2.063 -3.345 248 HD23 LEU 47 HD23 LEU 47 6.090 3.333 -2.278 249 H LYS 48 HN LYS 48 1.365 4.959 -3.285 250 HA LYS 48 HA LYS 48 -1.068 3.621 -2.737 251 HB2 LYS 48 HB2 LYS 48 -0.458 6.552 -3.110 252 HB3 LYS 48 HB1 LYS 48 -2.006 5.929 -2.551 253 HG2 LYS 48 HG2 LYS 48 -0.970 4.997 -0.581 254 HG3 LYS 48 HG1 LYS 48 0.628 5.468 -1.162 255 HD2 LYS 48 HD2 LYS 48 -0.065 7.067 0.471 256 HD3 LYS 48 HD1 LYS 48 -0.136 7.842 -1.112 257 HE2 LYS 48 HE2 LYS 48 -2.533 7.519 -1.197 258 HE3 LYS 48 HE1 LYS 48 -2.494 6.632 0.324 259 HZ1 LYS 48 HZ1 LYS 48 -3.198 8.978 0.541 260 HZ2 LYS 48 HZ2 LYS 48 -1.661 9.469 0.029 261 HZ3 LYS 48 HZ3 LYS 48 -1.839 8.600 1.478 262 H GLU 49 HN GLU 49 0.021 5.587 -5.500 263 HA GLU 49 HA GLU 49 -2.495 5.396 -6.831 264 HB2 GLU 49 HB2 GLU 49 -1.139 6.164 -8.860 265 HB3 GLU 49 HB1 GLU 49 -1.250 7.256 -7.487 266 HG2 GLU 49 HG2 GLU 49 0.956 6.800 -6.819 267 HG3 GLU 49 HG1 GLU 49 1.072 5.402 -7.886 268 H SER 50 HN SER 50 0.474 3.487 -6.906 269 HA SER 50 HA SER 50 -0.061 1.983 -9.205 270 HB2 SER 50 HB2 SER 50 1.367 1.109 -6.678 271 HB3 SER 50 HB1 SER 50 1.438 0.272 -8.228 272 HG SER 50 HG SER 50 2.350 2.904 -7.656 273 H TYR 51 HN TYR 51 -1.149 1.607 -5.884 274 HA TYR 51 HA TYR 51 -2.426 -0.892 -6.192 275 HB2 TYR 51 HB2 TYR 51 -1.898 0.049 -3.986 276 HB3 TYR 51 HB1 TYR 51 -3.025 1.371 -4.273 277 HD1 TYR 51 HD1 TYR 51 -2.798 -2.296 -3.796 278 HD2 TYR 51 HD2 TYR 51 -5.325 1.126 -3.799 279 HE1 TYR 51 HE1 TYR 51 -4.610 -3.638 -2.816 280 HE2 TYR 51 HE2 TYR 51 -7.142 -0.207 -2.819 281 HH TYR 51 HH TYR 51 -6.633 -3.345 -1.544 282 H CYS 52 HN CYS 52 -3.564 2.446 -6.453 283 HA CYS 52 HA CYS 52 -6.265 1.929 -6.939 284 HB2 CYS 52 HB2 CYS 52 -4.648 4.225 -8.071 285 HB3 CYS 52 HB1 CYS 52 -6.386 4.187 -7.814 286 HG CYS 52 HG CYS 52 -4.058 4.103 -5.302 287 H GLN 53 HN GLN 53 -3.520 2.199 -9.153 288 HA GLN 53 HA GLN 53 -4.966 1.974 -11.558 289 HB2 GLN 53 HB2 GLN 53 -2.130 1.100 -10.988 290 HB3 GLN 53 HB1 GLN 53 -2.824 1.369 -12.579 291 HG2 GLN 53 HG2 GLN 53 -3.088 3.721 -12.111 292 HG3 GLN 53 HG1 GLN 53 -2.516 3.482 -10.460 293 HE21 GLN 53 HE21 GLN 53 -1.424 5.237 -12.434 294 HE22 GLN 53 HE22 GLN 53 0.197 4.722 -12.745 295 H ARG 54 HN ARG 54 -3.432 -0.478 -9.504 296 HA ARG 54 HA ARG 54 -3.976 -2.674 -11.191 297 HB2 ARG 54 HB2 ARG 54 -2.294 -2.823 -9.447 298 HB3 ARG 54 HB1 ARG 54 -3.515 -2.570 -8.204 299 HG2 ARG 54 HG2 ARG 54 -4.362 -4.689 -8.409 300 HG3 ARG 54 HG1 ARG 54 -3.803 -4.875 -10.071 301 HD2 ARG 54 HD2 ARG 54 -1.503 -5.042 -9.274 302 HD3 ARG 54 HD1 ARG 54 -2.056 -4.841 -7.612 303 HE ARG 54 HE ARG 54 -3.336 -6.961 -7.986 304 HH11 ARG 54 HH11 ARG 54 -0.445 -6.249 -9.831 305 HH12 ARG 54 HH12 ARG 54 -0.063 -7.916 -10.121 306 HH21 ARG 54 HH21 ARG 54 -2.860 -9.154 -8.393 307 HH22 ARG 54 HH22 ARG 54 -1.446 -9.575 -9.307 308 H GLN 55 HN GLN 55 -5.848 -1.125 -8.642 309 HA GLN 55 HA GLN 55 -7.892 -3.155 -8.685 310 HB2 GLN 55 HB2 GLN 55 -7.793 -0.438 -7.368 311 HB3 GLN 55 HB1 GLN 55 -9.113 -1.582 -7.172 312 HG2 GLN 55 HG2 GLN 55 -6.244 -2.011 -6.364 313 HG3 GLN 55 HG1 GLN 55 -7.599 -1.681 -5.287 314 HE21 GLN 55 HE21 GLN 55 -9.096 -3.289 -4.876 315 HE22 GLN 55 HE22 GLN 55 -8.809 -4.947 -5.264 316 H GLY 56 HN GLY 56 -7.176 -0.367 -10.511 317 HA2 GLY 56 HA2 GLY 56 -8.245 0.348 -12.447 318 HA3 GLY 56 HA1 GLY 56 -9.567 -0.754 -12.091 319 H VAL 57 HN VAL 57 -8.248 1.705 -9.958 320 HA VAL 57 HA VAL 57 -10.751 3.240 -10.217 321 HB VAL 57 HB VAL 57 -10.522 3.733 -7.736 322 HG11 VAL 57 HG11 VAL 57 -11.615 1.646 -7.048 323 HG12 VAL 57 HG12 VAL 57 -11.116 0.896 -8.563 324 HG13 VAL 57 HG13 VAL 57 -12.245 2.251 -8.579 325 HG21 VAL 57 HG21 VAL 57 -8.271 3.042 -7.340 326 HG22 VAL 57 HG22 VAL 57 -8.615 1.411 -7.916 327 HG23 VAL 57 HG23 VAL 57 -9.336 1.987 -6.413 328 HA PRO 58 HA PRO 58 -8.153 6.799 -10.594 329 HB2 PRO 58 HB2 PRO 58 -9.514 8.699 -9.202 330 HB3 PRO 58 HB1 PRO 58 -10.036 8.107 -10.784 331 HG2 PRO 58 HG2 PRO 58 -11.017 7.327 -8.076 332 HG3 PRO 58 HG1 PRO 58 -11.942 7.648 -9.554 333 HD2 PRO 58 HD2 PRO 58 -11.409 5.143 -8.739 334 HD3 PRO 58 HD1 PRO 58 -11.493 5.576 -10.457 335 H MET 59 HN MET 59 -6.829 8.359 -9.372 336 HA MET 59 HA MET 59 -5.672 7.148 -7.073 337 HB2 MET 59 HB2 MET 59 -4.444 8.528 -8.777 338 HB3 MET 59 HB1 MET 59 -5.218 9.953 -8.098 339 HG2 MET 59 HG2 MET 59 -4.131 9.594 -5.983 340 HG3 MET 59 HG1 MET 59 -3.448 8.072 -6.555 341 HE1 MET 59 HE1 MET 59 -1.560 10.394 -5.251 342 HE2 MET 59 HE2 MET 59 -0.212 10.137 -6.356 343 HE3 MET 59 HE3 MET 59 -1.139 8.762 -5.767 344 H ASN 60 HN ASN 60 -5.777 7.696 -4.953 345 HA ASN 60 HA ASN 60 -6.505 8.575 -2.997 346 HB2 ASN 60 HB2 ASN 60 -6.003 10.786 -4.222 347 HB3 ASN 60 HB1 ASN 60 -7.744 10.903 -4.461 348 HD21 ASN 60 HD21 ASN 60 -7.674 12.830 -3.211 349 HD22 ASN 60 HD22 ASN 60 -7.601 12.760 -1.486 350 H SER 61 HN SER 61 -8.098 6.758 -4.544 351 HA SER 61 HA SER 61 -10.848 7.552 -4.004 352 HB2 SER 61 HB2 SER 61 -11.290 5.226 -5.028 353 HB3 SER 61 HB1 SER 61 -10.634 6.471 -6.094 354 HG SER 61 HG SER 61 -8.889 5.328 -6.333 355 H LEU 62 HN LEU 62 -8.425 5.221 -2.967 356 HA LEU 62 HA LEU 62 -10.195 4.413 -0.765 357 HB2 LEU 62 HB2 LEU 62 -7.975 2.906 -2.145 358 HB3 LEU 62 HB1 LEU 62 -8.702 2.379 -0.639 359 HG LEU 62 HG LEU 62 -10.893 2.729 -2.277 360 HD11 LEU 62 HD11 LEU 62 -10.388 1.571 -4.348 361 HD12 LEU 62 HD12 LEU 62 -8.685 1.473 -3.900 362 HD13 LEU 62 HD13 LEU 62 -9.425 3.044 -4.217 363 HD21 LEU 62 HD21 LEU 62 -9.300 0.212 -1.811 364 HD22 LEU 62 HD22 LEU 62 -10.996 0.296 -2.283 365 HD23 LEU 62 HD23 LEU 62 -10.491 0.895 -0.704 366 H ARG 63 HN ARG 63 -9.284 4.147 1.292 367 HA ARG 63 HA ARG 63 -6.945 5.854 1.753 368 HB2 ARG 63 HB2 ARG 63 -7.757 6.032 4.072 369 HB3 ARG 63 HB1 ARG 63 -8.976 6.555 2.920 370 HG2 ARG 63 HG2 ARG 63 -10.091 4.370 3.139 371 HG3 ARG 63 HG1 ARG 63 -8.887 3.899 4.339 372 HD2 ARG 63 HD2 ARG 63 -9.635 5.538 5.870 373 HD3 ARG 63 HD1 ARG 63 -10.607 6.343 4.639 374 HE ARG 63 HE ARG 63 -11.249 3.795 5.961 375 HH11 ARG 63 HH11 ARG 63 -12.204 6.498 3.947 376 HH12 ARG 63 HH12 ARG 63 -13.886 6.058 3.960 377 HH21 ARG 63 HH21 ARG 63 -14.597 4.202 5.083 378 HH22 ARG 63 HH22 ARG 63 -13.462 3.205 5.939 379 H PHE 64 HN PHE 64 -5.141 5.080 2.651 380 HA PHE 64 HA PHE 64 -5.039 2.205 3.238 381 HB2 PHE 64 HB2 PHE 64 -2.785 4.175 2.768 382 HB3 PHE 64 HB1 PHE 64 -2.601 2.441 2.998 383 HD1 PHE 64 HD1 PHE 64 -3.800 5.054 0.713 384 HD2 PHE 64 HD2 PHE 64 -3.008 0.907 1.220 385 HE1 PHE 64 HE1 PHE 64 -4.032 4.722 -1.711 386 HE2 PHE 64 HE2 PHE 64 -3.240 0.564 -1.205 387 HZ PHE 64 HZ PHE 64 -3.753 2.474 -2.675 388 H LEU 65 HN LEU 65 -5.064 1.617 5.314 389 HA LEU 65 HA LEU 65 -4.262 3.637 7.301 390 HB2 LEU 65 HB2 LEU 65 -6.245 1.394 7.645 391 HB3 LEU 65 HB1 LEU 65 -5.819 2.587 8.853 392 HG LEU 65 HG LEU 65 -7.177 3.213 6.228 393 HD11 LEU 65 HD11 LEU 65 -8.306 2.997 9.014 394 HD12 LEU 65 HD12 LEU 65 -8.642 1.917 7.659 395 HD13 LEU 65 HD13 LEU 65 -9.175 3.600 7.600 396 HD21 LEU 65 HD21 LEU 65 -7.613 5.398 7.339 397 HD22 LEU 65 HD22 LEU 65 -5.909 5.096 6.998 398 HD23 LEU 65 HD23 LEU 65 -6.528 4.903 8.639 399 H PHE 66 HN PHE 66 -2.905 3.151 8.855 400 HA PHE 66 HA PHE 66 -2.069 0.399 9.334 401 HB2 PHE 66 HB2 PHE 66 -0.439 1.167 7.691 402 HB3 PHE 66 HB1 PHE 66 -0.172 2.648 8.602 403 HD1 PHE 66 HD1 PHE 66 -0.275 -0.961 9.553 404 HD2 PHE 66 HD2 PHE 66 1.943 2.667 9.492 405 HE1 PHE 66 HE1 PHE 66 1.543 -2.057 10.802 406 HE2 PHE 66 HE2 PHE 66 3.763 1.579 10.737 407 HZ PHE 66 HZ PHE 66 3.566 -0.784 11.394 408 H GLU 67 HN GLU 67 -2.303 0.131 11.431 409 HA GLU 67 HA GLU 67 -2.362 0.471 13.669 410 HB2 GLU 67 HB2 GLU 67 -0.310 2.512 12.874 411 HB3 GLU 67 HB1 GLU 67 -0.860 2.400 14.544 412 HG2 GLU 67 HG2 GLU 67 0.474 0.241 12.925 413 HG3 GLU 67 HG1 GLU 67 1.149 1.116 14.302 414 H GLY 68 HN GLY 68 -4.184 1.813 11.793 415 HA2 GLY 68 HA2 GLY 68 -6.161 2.966 12.268 416 HA3 GLY 68 HA1 GLY 68 -5.417 3.603 13.722 417 H GLN 69 HN GLN 69 -3.032 4.331 11.957 418 HA GLN 69 HA GLN 69 -4.014 6.982 11.308 419 HB2 GLN 69 HB2 GLN 69 -1.191 5.988 10.941 420 HB3 GLN 69 HB1 GLN 69 -1.736 7.641 11.194 421 HG2 GLN 69 HG2 GLN 69 -2.526 6.847 13.485 422 HG3 GLN 69 HG1 GLN 69 -1.550 5.411 13.188 423 HE21 GLN 69 HE21 GLN 69 -1.243 7.396 15.246 424 HE22 GLN 69 HE22 GLN 69 0.335 8.076 15.049 425 H ARG 70 HN ARG 70 -3.516 7.983 9.222 426 HA ARG 70 HA ARG 70 -3.939 6.051 7.066 427 HB2 ARG 70 HB2 ARG 70 -4.673 7.987 5.733 428 HB3 ARG 70 HB1 ARG 70 -5.589 7.830 7.223 429 HG2 ARG 70 HG2 ARG 70 -3.992 9.557 8.198 430 HG3 ARG 70 HG1 ARG 70 -3.471 9.844 6.536 431 HD2 ARG 70 HD2 ARG 70 -6.304 10.076 7.548 432 HD3 ARG 70 HD1 ARG 70 -5.210 11.426 7.267 433 HE ARG 70 HE ARG 70 -5.266 10.861 4.898 434 HH11 ARG 70 HH11 ARG 70 -8.886 9.278 5.624 435 HH12 ARG 70 HH12 ARG 70 -7.781 9.518 6.934 436 HH21 ARG 70 HH21 ARG 70 -8.313 9.860 3.492 437 HH22 ARG 70 HH22 ARG 70 -6.748 10.554 3.170 438 H ILE 71 HN ILE 71 -2.584 5.769 5.396 439 HA ILE 71 HA ILE 71 0.115 6.661 5.655 440 HB ILE 71 HB ILE 71 -1.226 5.253 3.339 441 HG12 ILE 71 HG12 ILE 71 -1.317 3.963 5.434 442 HG13 ILE 71 HG11 ILE 71 -0.238 3.207 4.265 443 HG21 ILE 71 HG21 ILE 71 0.814 6.371 2.638 444 HG22 ILE 71 HG22 ILE 71 1.032 4.621 2.643 445 HG23 ILE 71 HG23 ILE 71 1.706 5.598 3.949 446 HD11 ILE 71 HD11 ILE 71 1.669 4.305 5.464 447 HD12 ILE 71 HD12 ILE 71 0.804 3.076 6.387 448 HD13 ILE 71 HD13 ILE 71 0.511 4.785 6.708 449 H ALA 72 HN ALA 72 0.902 8.531 5.040 450 HA ALA 72 HA ALA 72 -0.641 10.310 3.356 451 HB1 ALA 72 HB1 ALA 72 1.995 10.675 4.773 452 HB2 ALA 72 HB2 ALA 72 0.414 11.234 5.318 453 HB3 ALA 72 HB3 ALA 72 1.152 11.939 3.878 454 H ASP 73 HN ASP 73 0.367 11.470 1.565 455 HA ASP 73 HA ASP 73 1.512 9.666 -0.318 456 HB2 ASP 73 HB2 ASP 73 0.767 12.568 -0.336 457 HB3 ASP 73 HB1 ASP 73 1.757 11.927 -1.643 458 H ASN 74 HN ASN 74 2.831 11.710 2.046 459 HA ASN 74 HA ASN 74 5.462 11.702 0.730 460 HB2 ASN 74 HB2 ASN 74 6.094 13.509 2.222 461 HB3 ASN 74 HB1 ASN 74 4.597 13.922 1.399 462 HD21 ASN 74 HD21 ASN 74 6.149 13.544 4.375 463 HD22 ASN 74 HD22 ASN 74 4.773 13.787 5.397 464 H HIS 75 HN HIS 75 4.018 9.550 2.327 465 HA HIS 75 HA HIS 75 5.725 9.225 4.643 466 HB2 HIS 75 HB2 HIS 75 3.300 7.895 3.573 467 HB3 HIS 75 HB1 HIS 75 4.410 6.865 4.467 468 HD2 HIS 75 HD2 HIS 75 4.894 9.825 6.415 469 HE1 HIS 75 HE1 HIS 75 1.195 8.343 7.824 470 HE2 HIS 75 HE2 HIS 75 3.117 9.923 8.301 471 H THR 76 HN THR 76 7.175 7.530 4.946 472 HA THR 76 HA THR 76 8.085 6.202 2.475 473 HB THR 76 HB THR 76 10.364 6.175 3.567 474 HG1 THR 76 HG1 THR 76 9.003 7.937 5.358 475 HG21 THR 76 HG21 THR 76 9.868 7.752 1.785 476 HG22 THR 76 HG22 THR 76 10.882 8.521 3.004 477 HG23 THR 76 HG23 THR 76 9.157 8.873 2.945 478 HA PRO 77 HA PRO 77 7.395 2.349 4.542 479 HB2 PRO 77 HB2 PRO 77 9.852 1.315 3.282 480 HB3 PRO 77 HB1 PRO 77 8.181 0.775 3.089 481 HG2 PRO 77 HG2 PRO 77 9.434 2.080 1.133 482 HG3 PRO 77 HG1 PRO 77 7.708 2.327 1.458 483 HD2 PRO 77 HD2 PRO 77 10.027 4.060 2.190 484 HD3 PRO 77 HD1 PRO 77 8.419 4.518 1.594 485 H LYS 78 HN LYS 78 10.291 4.114 4.940 486 HA LYS 78 HA LYS 78 11.526 2.321 6.819 487 HB2 LYS 78 HB2 LYS 78 12.935 3.745 5.458 488 HB3 LYS 78 HB1 LYS 78 12.136 5.186 6.070 489 HG2 LYS 78 HG2 LYS 78 14.224 5.021 7.172 490 HG3 LYS 78 HG1 LYS 78 12.987 4.579 8.350 491 HD2 LYS 78 HD2 LYS 78 14.752 3.016 8.602 492 HD3 LYS 78 HD1 LYS 78 13.454 2.171 7.758 493 HE2 LYS 78 HE2 LYS 78 14.578 2.299 5.689 494 HE3 LYS 78 HE1 LYS 78 15.719 3.497 6.297 495 HZ1 LYS 78 HZ1 LYS 78 15.574 0.719 7.322 496 HZ2 LYS 78 HZ2 LYS 78 16.775 1.866 7.636 497 HZ3 LYS 78 HZ3 LYS 78 16.624 1.204 6.089 498 H GLU 79 HN GLU 79 9.610 5.292 6.985 499 HA GLU 79 HA GLU 79 9.878 5.485 9.847 500 HB2 GLU 79 HB2 GLU 79 8.516 7.433 9.698 501 HB3 GLU 79 HB1 GLU 79 9.596 7.462 8.313 502 HG2 GLU 79 HG2 GLU 79 7.710 6.463 6.977 503 HG3 GLU 79 HG1 GLU 79 6.673 6.785 8.364 504 H LEU 80 HN LEU 80 7.677 5.894 11.041 505 HA LEU 80 HA LEU 80 5.751 5.106 11.922 506 HB2 LEU 80 HB2 LEU 80 5.485 3.833 9.211 507 HB3 LEU 80 HB1 LEU 80 4.313 3.553 10.483 508 HG LEU 80 HG LEU 80 5.004 6.304 9.464 509 HD11 LEU 80 HD11 LEU 80 4.084 4.925 7.649 510 HD12 LEU 80 HD12 LEU 80 2.980 6.211 8.138 511 HD13 LEU 80 HD13 LEU 80 2.687 4.550 8.659 512 HD21 LEU 80 HD21 LEU 80 2.849 6.886 10.508 513 HD22 LEU 80 HD22 LEU 80 4.028 6.285 11.673 514 HD23 LEU 80 HD23 LEU 80 2.725 5.234 11.121 515 H GLY 81 HN GLY 81 7.392 2.506 10.124 516 HA2 GLY 81 HA2 GLY 81 8.629 0.938 11.659 517 HA3 GLY 81 HA1 GLY 81 7.118 0.841 12.549 518 H MET 82 HN MET 82 7.602 0.835 9.035 519 HA MET 82 HA MET 82 5.869 -1.402 8.713 520 HB2 MET 82 HB2 MET 82 7.396 0.394 6.948 521 HB3 MET 82 HB1 MET 82 7.188 -1.238 6.329 522 HG2 MET 82 HG2 MET 82 4.751 -1.010 6.665 523 HG3 MET 82 HG1 MET 82 5.012 0.663 7.157 524 HE1 MET 82 HE1 MET 82 3.011 -0.136 4.749 525 HE2 MET 82 HE2 MET 82 3.419 1.190 3.666 526 HE3 MET 82 HE3 MET 82 3.309 1.473 5.400 527 H GLU 83 HN GLU 83 6.367 -3.516 8.136 528 HA GLU 83 HA GLU 83 9.161 -4.325 8.069 529 HB2 GLU 83 HB2 GLU 83 7.475 -4.631 10.397 530 HB3 GLU 83 HB1 GLU 83 7.974 -6.200 9.784 531 HG2 GLU 83 HG2 GLU 83 9.953 -3.999 10.228 532 HG3 GLU 83 HG1 GLU 83 9.440 -5.057 11.542 533 H GLU 84 HN GLU 84 9.260 -6.790 7.819 534 HA GLU 84 HA GLU 84 7.753 -7.482 5.498 535 HB2 GLU 84 HB2 GLU 84 10.023 -8.246 5.697 536 HB3 GLU 84 HB1 GLU 84 9.688 -9.016 7.240 537 HG2 GLU 84 HG2 GLU 84 9.820 -10.764 5.710 538 HG3 GLU 84 HG1 GLU 84 8.097 -10.523 5.967 539 H GLU 85 HN GLU 85 6.038 -8.820 5.268 540 HA GLU 85 HA GLU 85 4.246 -10.120 5.749 541 HB2 GLU 85 HB2 GLU 85 5.883 -10.777 8.192 542 HB3 GLU 85 HB1 GLU 85 4.287 -11.461 7.917 543 HG2 GLU 85 HG2 GLU 85 6.623 -11.739 6.045 544 HG3 GLU 85 HG1 GLU 85 6.119 -12.953 7.218 545 H ASP 86 HN ASP 86 4.561 -7.283 6.652 546 HA ASP 86 HA ASP 86 2.885 -7.133 9.004 547 HB2 ASP 86 HB2 ASP 86 4.784 -5.501 8.356 548 HB3 ASP 86 HB1 ASP 86 3.598 -4.789 7.266 549 H VAL 87 HN VAL 87 0.799 -6.249 9.064 550 HA VAL 87 HA VAL 87 -0.671 -6.647 6.556 551 HB VAL 87 HB VAL 87 -1.913 -6.324 9.283 552 HG11 VAL 87 HG11 VAL 87 -3.369 -6.106 7.311 553 HG12 VAL 87 HG12 VAL 87 -3.778 -7.507 8.301 554 HG13 VAL 87 HG13 VAL 87 -2.884 -7.721 6.796 555 HG21 VAL 87 HG21 VAL 87 -0.997 -8.894 7.991 556 HG22 VAL 87 HG22 VAL 87 -1.947 -8.764 9.471 557 HG23 VAL 87 HG23 VAL 87 -0.296 -8.145 9.426 558 H ILE 88 HN ILE 88 -1.885 -5.090 5.616 559 HA ILE 88 HA ILE 88 -2.024 -2.468 6.944 560 HB ILE 88 HB ILE 88 -0.290 -2.375 5.209 561 HG12 ILE 88 HG12 ILE 88 -2.757 -0.906 4.263 562 HG13 ILE 88 HG11 ILE 88 -1.792 -0.409 5.649 563 HG21 ILE 88 HG21 ILE 88 -2.484 -3.282 3.357 564 HG22 ILE 88 HG22 ILE 88 -0.983 -4.128 3.740 565 HG23 ILE 88 HG23 ILE 88 -0.938 -2.625 2.818 566 HD11 ILE 88 HD11 ILE 88 -1.207 0.885 3.688 567 HD12 ILE 88 HD12 ILE 88 -0.841 -0.593 2.799 568 HD13 ILE 88 HD13 ILE 88 0.149 -0.129 4.182 569 H GLU 89 HN GLU 89 -3.932 -1.288 6.584 570 HA GLU 89 HA GLU 89 -6.131 -2.899 5.485 571 HB2 GLU 89 HB2 GLU 89 -6.526 -0.424 7.127 572 HB3 GLU 89 HB1 GLU 89 -7.602 -1.796 6.924 573 HG2 GLU 89 HG2 GLU 89 -6.088 -3.171 8.268 574 HG3 GLU 89 HG1 GLU 89 -5.028 -1.780 8.484 575 H VAL 90 HN VAL 90 -7.631 -1.980 4.054 576 HA VAL 90 HA VAL 90 -7.150 0.708 3.074 577 HB VAL 90 HB VAL 90 -5.643 -0.566 1.668 578 HG11 VAL 90 HG11 VAL 90 -8.017 -2.261 0.900 579 HG12 VAL 90 HG12 VAL 90 -6.662 -2.774 1.906 580 HG13 VAL 90 HG13 VAL 90 -6.396 -2.363 0.213 581 HG21 VAL 90 HG21 VAL 90 -6.548 -0.005 -0.538 582 HG22 VAL 90 HG22 VAL 90 -6.832 1.283 0.633 583 HG23 VAL 90 HG23 VAL 90 -8.147 0.203 0.177 584 H TYR 91 HN TYR 91 -9.034 1.675 2.748 585 HA TYR 91 HA TYR 91 -11.367 0.089 1.942 586 HB2 TYR 91 HB2 TYR 91 -11.361 2.031 4.264 587 HB3 TYR 91 HB1 TYR 91 -12.785 1.228 3.611 588 HD1 TYR 91 HD1 TYR 91 -12.947 -1.286 3.799 589 HD2 TYR 91 HD2 TYR 91 -10.000 0.977 5.872 590 HE1 TYR 91 HE1 TYR 91 -12.588 -3.174 5.335 591 HE2 TYR 91 HE2 TYR 91 -9.631 -0.903 7.411 592 HH TYR 91 HH TYR 91 -10.860 -4.033 6.836 593 H GLN 92 HN GLN 92 -13.035 1.334 0.948 594 HA GLN 92 HA GLN 92 -12.061 3.458 -0.662 595 HB2 GLN 92 HB2 GLN 92 -13.784 1.887 -1.427 596 HB3 GLN 92 HB1 GLN 92 -14.891 2.493 -0.204 597 HG2 GLN 92 HG2 GLN 92 -14.915 4.671 -1.281 598 HG3 GLN 92 HG1 GLN 92 -13.767 4.096 -2.492 599 HE21 GLN 92 HE21 GLN 92 -17.027 3.867 -1.302 600 HE22 GLN 92 HE22 GLN 92 -17.705 3.123 -2.706 601 H GLU 93 HN GLU 93 -12.288 5.639 -0.484 602 HA GLU 93 HA GLU 93 -12.977 6.721 2.080 603 HB2 GLU 93 HB2 GLU 93 -12.127 7.949 -0.538 604 HB3 GLU 93 HB1 GLU 93 -12.575 8.935 0.846 605 HG2 GLU 93 HG2 GLU 93 -10.465 6.816 1.043 606 HG3 GLU 93 HG1 GLU 93 -10.100 8.443 0.468 607 H GLN 94 HN GLN 94 -14.446 8.714 2.164 608 HA GLN 94 HA GLN 94 -17.059 7.893 1.400 609 HB2 GLN 94 HB2 GLN 94 -16.398 9.285 3.431 610 HB3 GLN 94 HB1 GLN 94 -16.295 10.653 2.331 611 HG2 GLN 94 HG2 GLN 94 -18.657 10.312 1.724 612 HG3 GLN 94 HG1 GLN 94 -18.745 8.994 2.891 613 HE21 GLN 94 HE21 GLN 94 -20.285 9.975 4.161 614 HE22 GLN 94 HE22 GLN 94 -19.950 11.371 5.126 615 H THR 95 HN THR 95 -14.735 10.178 0.108 616 HA THR 95 HA THR 95 -16.513 11.440 -1.719 617 HB THR 95 HB THR 95 -14.031 11.791 -2.815 618 HG1 THR 95 HG1 THR 95 -12.595 11.941 -1.036 619 HG21 THR 95 HG21 THR 95 -15.586 13.567 -2.184 620 HG22 THR 95 HG22 THR 95 -13.978 13.895 -1.539 621 HG23 THR 95 HG23 THR 95 -15.242 13.277 -0.477 622 H GLY 96 HN GLY 96 -14.158 8.800 -1.996 623 HA2 GLY 96 HA2 GLY 96 -14.126 7.024 -3.477 624 HA3 GLY 96 HA1 GLY 96 -15.620 7.635 -4.174 625 H GLY 97 HN GLY 97 -12.624 9.455 -3.848 626 HA2 GLY 97 HA2 GLY 97 -11.286 9.059 -6.145 627 HA3 GLY 97 HA1 GLY 97 -12.662 10.006 -6.692 628 H1 ASP 195 HN ASP 195 -6.443 -20.902 -3.921 629 HA ASP 195 HA ASP 195 -8.492 -18.910 -3.502 630 HB2 ASP 195 HB2 ASP 195 -7.201 -19.516 -1.248 631 HB3 ASP 195 HB1 ASP 195 -6.014 -18.401 -1.921 632 H THR 196 HN THR 196 -7.272 -16.605 -3.730 633 HA THR 196 HA THR 196 -5.379 -16.958 -5.962 634 HB THR 196 HB THR 196 -6.782 -14.420 -6.007 635 HG1 THR 196 HG1 THR 196 -8.685 -15.194 -5.500 636 HG21 THR 196 HG21 THR 196 -7.286 -15.218 -8.338 637 HG22 THR 196 HG22 THR 196 -6.434 -16.709 -7.931 638 HG23 THR 196 HG23 THR 196 -5.573 -15.170 -7.920 639 H ALA 197 HN ALA 197 -3.476 -15.988 -5.771 640 HA ALA 197 HA ALA 197 -3.197 -13.829 -3.803 641 HB1 ALA 197 HB1 ALA 197 -0.950 -14.629 -3.306 642 HB2 ALA 197 HB2 ALA 197 -1.164 -15.960 -4.442 643 HB3 ALA 197 HB3 ALA 197 -2.146 -15.889 -2.981 644 H GLY 198 HN GLY 198 -2.410 -11.998 -4.561 645 HA2 GLY 198 HA2 GLY 198 -1.150 -12.036 -7.225 646 HA3 GLY 198 HA1 GLY 198 -2.229 -10.767 -6.674 647 H CYS 199 HN CYS 199 0.806 -11.107 -7.443 648 HA CYS 199 HA CYS 199 1.757 -9.541 -5.132 649 HB2 CYS 199 HB2 CYS 199 3.729 -10.881 -6.916 650 HB3 CYS 199 HB1 CYS 199 3.815 -10.556 -5.188 651 HG CYS 199 HG CYS 199 1.470 -12.803 -5.971 652 H ILE 200 HN ILE 200 2.306 -7.519 -5.535 653 HA ILE 200 HA ILE 200 2.833 -6.752 -8.329 654 HB ILE 200 HB ILE 200 0.792 -5.760 -8.024 655 HG12 ILE 200 HG12 ILE 200 2.599 -3.641 -6.833 656 HG13 ILE 200 HG11 ILE 200 2.428 -3.975 -8.551 657 HG21 ILE 200 HG21 ILE 200 1.336 -4.894 -5.208 658 HG22 ILE 200 HG22 ILE 200 0.734 -6.507 -5.585 659 HG23 ILE 200 HG23 ILE 200 -0.209 -5.086 -6.031 660 HD11 ILE 200 HD11 ILE 200 0.299 -2.942 -6.689 661 HD12 ILE 200 HD12 ILE 200 0.029 -3.392 -8.375 662 HD13 ILE 200 HD13 ILE 200 1.109 -2.054 -7.985 663 H VAL 201 HN VAL 201 4.681 -5.734 -8.718 664 HA VAL 201 HA VAL 201 6.132 -4.594 -6.429 665 HB VAL 201 HB VAL 201 7.169 -6.703 -7.378 666 HG11 VAL 201 HG11 VAL 201 6.776 -6.334 -9.742 667 HG12 VAL 201 HG12 VAL 201 8.508 -6.450 -9.434 668 HG13 VAL 201 HG13 VAL 201 7.764 -4.875 -9.705 669 HG21 VAL 201 HG21 VAL 201 8.381 -5.051 -6.016 670 HG22 VAL 201 HG22 VAL 201 8.845 -4.200 -7.489 671 HG23 VAL 201 HG23 VAL 201 9.425 -5.842 -7.198 672 H ILE 202 HN ILE 202 6.785 -2.580 -6.591 673 HA ILE 202 HA ILE 202 6.562 -1.213 -9.176 674 HB ILE 202 HB ILE 202 5.092 0.239 -8.342 675 HG12 ILE 202 HG12 ILE 202 6.400 0.879 -5.775 676 HG13 ILE 202 HG11 ILE 202 7.399 1.130 -7.200 677 HG21 ILE 202 HG21 ILE 202 5.353 -1.297 -5.760 678 HG22 ILE 202 HG22 ILE 202 4.187 -1.589 -7.053 679 HG23 ILE 202 HG23 ILE 202 4.095 -0.108 -6.095 680 HD11 ILE 202 HD11 ILE 202 4.754 2.397 -6.567 681 HD12 ILE 202 HD12 ILE 202 5.555 2.515 -8.134 682 HD13 ILE 202 HD13 ILE 202 6.336 3.166 -6.695 683 H SEP 203 HN SEP 203 8.253 0.176 -9.742 684 HA SEP 203 HA SEP 203 10.415 0.301 -7.749 685 HB2 SEP 203 HB1 SEP 203 10.719 0.571 -10.742 686 HB3 SEP 203 HB2 SEP 203 10.822 -0.980 -9.914 687 H ASP 204 HN ASP 204 10.648 2.142 -6.888 688 HA ASP 204 HA ASP 204 10.263 4.574 -8.450 689 HB2 ASP 204 HB2 ASP 204 8.340 3.866 -6.846 690 HB3 ASP 204 HB1 ASP 204 9.379 4.522 -5.613 691 H SEP 205 HN SEP 205 11.833 6.074 -8.175 692 HA SEP 205 HA SEP 205 13.699 5.645 -5.948 693 HB2 SEP 205 HB1 SEP 205 14.774 6.758 -8.441 694 HB3 SEP 205 HB2 SEP 205 14.349 5.044 -8.437 695 H GLU 206 HN GLU 206 14.304 7.344 -4.764 696 HA GLU 206 HA GLU 206 13.304 9.971 -5.596 697 HB2 GLU 206 HB2 GLU 206 12.594 9.394 -3.399 698 HB3 GLU 206 HB1 GLU 206 14.212 8.907 -2.920 699 HG2 GLU 206 HG2 GLU 206 13.463 11.076 -1.980 700 HG3 GLU 206 HG1 GLU 206 14.959 11.165 -2.906 Start of MODEL 14 1 H1 TYR 21 HN TYR 21 13.980 -6.231 1.125 2 HA TYR 21 HA TYR 21 11.974 -5.257 -0.710 3 HB2 TYR 21 HB2 TYR 21 12.707 -8.188 -0.587 4 HB3 TYR 21 HB1 TYR 21 11.208 -7.582 -1.277 5 HD1 TYR 21 HD1 TYR 21 11.266 -6.209 -3.351 6 HD2 TYR 21 HD2 TYR 21 14.762 -8.066 -1.794 7 HE1 TYR 21 HE1 TYR 21 12.383 -5.915 -5.523 8 HE2 TYR 21 HE2 TYR 21 15.890 -7.773 -3.957 9 HH TYR 21 HH TYR 21 14.619 -5.797 -6.445 10 H ILE 22 HN ILE 22 10.210 -4.859 0.420 11 HA ILE 22 HA ILE 22 9.738 -6.343 2.927 12 HB ILE 22 HB ILE 22 8.927 -3.512 2.232 13 HG12 ILE 22 HG12 ILE 22 11.324 -3.713 2.700 14 HG13 ILE 22 HG11 ILE 22 10.503 -2.831 3.984 15 HG21 ILE 22 HG21 ILE 22 8.529 -5.070 4.780 16 HG22 ILE 22 HG22 ILE 22 7.273 -4.602 3.633 17 HG23 ILE 22 HG23 ILE 22 8.143 -3.366 4.540 18 HD11 ILE 22 HD11 ILE 22 10.481 -4.904 5.330 19 HD12 ILE 22 HD12 ILE 22 12.102 -4.332 4.946 20 HD13 ILE 22 HD13 ILE 22 11.420 -5.697 4.064 21 H LYS 23 HN LYS 23 8.300 -7.872 2.360 22 HA LYS 23 HA LYS 23 6.155 -7.223 0.500 23 HB2 LYS 23 HB2 LYS 23 7.384 -9.356 0.300 24 HB3 LYS 23 HB1 LYS 23 6.779 -9.832 1.880 25 HG2 LYS 23 HG2 LYS 23 4.449 -9.334 0.726 26 HG3 LYS 23 HG1 LYS 23 5.383 -9.688 -0.729 27 HD2 LYS 23 HD2 LYS 23 4.394 -11.733 0.021 28 HD3 LYS 23 HD1 LYS 23 6.125 -11.812 0.360 29 HE2 LYS 23 HE2 LYS 23 4.737 -10.648 2.586 30 HE3 LYS 23 HE1 LYS 23 3.998 -12.188 2.157 31 HZ1 LYS 23 HZ1 LYS 23 5.665 -12.710 3.676 32 HZ2 LYS 23 HZ2 LYS 23 6.795 -11.654 2.969 33 HZ3 LYS 23 HZ3 LYS 23 6.354 -13.088 2.172 34 H LEU 24 HN LEU 24 4.437 -6.250 1.245 35 HA LEU 24 HA LEU 24 3.543 -6.717 3.987 36 HB2 LEU 24 HB2 LEU 24 2.544 -4.782 1.888 37 HB3 LEU 24 HB1 LEU 24 1.976 -4.862 3.544 38 HG LEU 24 HG LEU 24 4.769 -4.111 2.679 39 HD11 LEU 24 HD11 LEU 24 2.540 -2.436 3.823 40 HD12 LEU 24 HD12 LEU 24 3.089 -2.415 2.147 41 HD13 LEU 24 HD13 LEU 24 4.168 -1.880 3.436 42 HD21 LEU 24 HD21 LEU 24 5.055 -3.484 5.052 43 HD22 LEU 24 HD22 LEU 24 4.826 -5.217 4.821 44 HD23 LEU 24 HD23 LEU 24 3.493 -4.221 5.408 45 H LYS 25 HN LYS 25 1.375 -7.359 4.439 46 HA LYS 25 HA LYS 25 0.215 -8.940 2.248 47 HB2 LYS 25 HB2 LYS 25 -0.046 -9.347 5.231 48 HB3 LYS 25 HB1 LYS 25 -0.802 -10.345 3.998 49 HG2 LYS 25 HG2 LYS 25 1.648 -10.656 3.151 50 HG3 LYS 25 HG1 LYS 25 2.065 -10.161 4.792 51 HD2 LYS 25 HD2 LYS 25 1.949 -12.569 4.681 52 HD3 LYS 25 HD1 LYS 25 0.615 -11.963 5.663 53 HE2 LYS 25 HE2 LYS 25 -0.966 -12.409 4.013 54 HE3 LYS 25 HE1 LYS 25 0.249 -12.485 2.737 55 HZ1 LYS 25 HZ1 LYS 25 -0.246 -14.493 4.864 56 HZ2 LYS 25 HZ2 LYS 25 1.092 -14.537 3.830 57 HZ3 LYS 25 HZ3 LYS 25 -0.471 -14.684 3.194 58 H VAL 26 HN VAL 26 -1.407 -7.929 1.331 59 HA VAL 26 HA VAL 26 -3.149 -6.217 2.948 60 HB VAL 26 HB VAL 26 -3.352 -6.555 -0.033 61 HG11 VAL 26 HG11 VAL 26 -5.167 -5.422 1.172 62 HG12 VAL 26 HG12 VAL 26 -4.332 -4.346 0.050 63 HG13 VAL 26 HG13 VAL 26 -4.005 -4.242 1.781 64 HG21 VAL 26 HG21 VAL 26 -1.557 -4.588 1.387 65 HG22 VAL 26 HG22 VAL 26 -1.843 -4.683 -0.351 66 HG23 VAL 26 HG23 VAL 26 -1.010 -5.997 0.480 67 H ILE 27 HN ILE 27 -4.799 -7.254 3.846 68 HA ILE 27 HA ILE 27 -5.965 -9.558 2.487 69 HB ILE 27 HB ILE 27 -6.569 -8.489 5.250 70 HG12 ILE 27 HG12 ILE 27 -4.251 -9.226 5.125 71 HG13 ILE 27 HG11 ILE 27 -5.194 -10.377 6.063 72 HG21 ILE 27 HG21 ILE 27 -7.558 -10.731 5.611 73 HG22 ILE 27 HG22 ILE 27 -7.313 -11.078 3.897 74 HG23 ILE 27 HG23 ILE 27 -8.402 -9.780 4.389 75 HD11 ILE 27 HD11 ILE 27 -4.251 -10.692 3.226 76 HD12 ILE 27 HD12 ILE 27 -5.335 -11.815 4.047 77 HD13 ILE 27 HD13 ILE 27 -3.693 -11.579 4.647 78 H GLY 28 HN GLY 28 -7.547 -9.160 1.121 79 HA2 GLY 28 HA2 GLY 28 -9.084 -6.723 1.225 80 HA3 GLY 28 HA1 GLY 28 -9.262 -8.027 0.057 81 H GLN 29 HN GLN 29 -11.470 -6.766 1.117 82 HA GLN 29 HA GLN 29 -12.504 -8.139 3.392 83 HB2 GLN 29 HB2 GLN 29 -13.163 -5.836 2.164 84 HB3 GLN 29 HB1 GLN 29 -14.386 -6.892 1.476 85 HG2 GLN 29 HG2 GLN 29 -15.320 -5.859 3.390 86 HG3 GLN 29 HG1 GLN 29 -15.016 -7.547 3.794 87 HE21 GLN 29 HE21 GLN 29 -13.481 -8.054 5.326 88 HE22 GLN 29 HE22 GLN 29 -12.733 -6.863 6.334 89 H ASP 30 HN ASP 30 -12.350 -8.816 0.018 90 HA ASP 30 HA ASP 30 -14.446 -10.838 0.177 91 HB2 ASP 30 HB2 ASP 30 -14.144 -11.112 -2.220 92 HB3 ASP 30 HB1 ASP 30 -14.318 -9.406 -1.834 93 H SER 31 HN SER 31 -11.867 -10.990 1.633 94 HA SER 31 HA SER 31 -10.431 -12.585 2.343 95 HB2 SER 31 HB2 SER 31 -11.904 -14.459 0.477 96 HB3 SER 31 HB1 SER 31 -10.868 -14.922 1.825 97 HG SER 31 HG SER 31 -13.491 -14.195 1.823 98 H SER 32 HN SER 32 -9.811 -10.927 0.051 99 HA SER 32 HA SER 32 -8.237 -12.597 -1.728 100 HB2 SER 32 HB2 SER 32 -7.620 -10.117 -2.506 101 HB3 SER 32 HB1 SER 32 -9.144 -10.882 -2.963 102 HG SER 32 HG SER 32 -10.113 -9.336 -1.933 103 H GLU 33 HN GLU 33 -6.147 -13.040 -1.445 104 HA GLU 33 HA GLU 33 -4.668 -11.564 0.614 105 HB2 GLU 33 HB2 GLU 33 -4.923 -14.162 0.556 106 HB3 GLU 33 HB1 GLU 33 -3.693 -14.085 -0.698 107 HG2 GLU 33 HG2 GLU 33 -2.224 -12.877 0.898 108 HG3 GLU 33 HG1 GLU 33 -3.439 -13.135 2.147 109 H ILE 34 HN ILE 34 -3.907 -9.780 -0.426 110 HA ILE 34 HA ILE 34 -2.472 -10.166 -2.958 111 HB ILE 34 HB ILE 34 -3.208 -7.555 -1.630 112 HG12 ILE 34 HG12 ILE 34 -5.228 -8.836 -2.214 113 HG13 ILE 34 HG11 ILE 34 -5.051 -7.413 -3.233 114 HG21 ILE 34 HG21 ILE 34 -2.339 -8.140 -4.456 115 HG22 ILE 34 HG22 ILE 34 -1.328 -7.423 -3.201 116 HG23 ILE 34 HG23 ILE 34 -2.744 -6.556 -3.795 117 HD11 ILE 34 HD11 ILE 34 -4.408 -10.249 -3.999 118 HD12 ILE 34 HD12 ILE 34 -4.163 -8.837 -5.025 119 HD13 ILE 34 HD13 ILE 34 -5.793 -9.301 -4.536 120 H HIS 35 HN HIS 35 -0.342 -10.227 -2.993 121 HA HIS 35 HA HIS 35 1.138 -9.419 -0.590 122 HB2 HIS 35 HB2 HIS 35 2.164 -11.001 -2.953 123 HB3 HIS 35 HB1 HIS 35 2.947 -10.796 -1.392 124 HD2 HIS 35 HD2 HIS 35 0.474 -11.679 0.540 125 HE1 HIS 35 HE1 HIS 35 0.552 -15.233 -1.758 126 HE2 HIS 35 HE2 HIS 35 -0.256 -14.170 0.401 127 H PHE 36 HN PHE 36 1.752 -7.349 -0.699 128 HA PHE 36 HA PHE 36 2.713 -6.329 -3.282 129 HB2 PHE 36 HB2 PHE 36 0.869 -5.163 -1.734 130 HB3 PHE 36 HB1 PHE 36 2.303 -4.493 -0.964 131 HD1 PHE 36 HD1 PHE 36 4.023 -4.299 -3.451 132 HD2 PHE 36 HD2 PHE 36 -0.018 -3.208 -2.693 133 HE1 PHE 36 HE1 PHE 36 4.152 -2.605 -5.223 134 HE2 PHE 36 HE2 PHE 36 0.108 -1.508 -4.467 135 HZ PHE 36 HZ PHE 36 2.194 -1.207 -5.735 136 H LYS 37 HN LYS 37 4.837 -6.491 -3.514 137 HA LYS 37 HA LYS 37 6.518 -6.452 -1.133 138 HB2 LYS 37 HB2 LYS 37 6.797 -8.283 -2.803 139 HB3 LYS 37 HB1 LYS 37 7.326 -7.085 -3.972 140 HG2 LYS 37 HG2 LYS 37 9.269 -6.589 -2.720 141 HG3 LYS 37 HG1 LYS 37 8.692 -7.520 -1.336 142 HD2 LYS 37 HD2 LYS 37 9.062 -8.848 -3.992 143 HD3 LYS 37 HD1 LYS 37 10.456 -8.556 -2.952 144 HE2 LYS 37 HE2 LYS 37 9.410 -9.817 -1.161 145 HE3 LYS 37 HE1 LYS 37 7.967 -10.057 -2.145 146 HZ1 LYS 37 HZ1 LYS 37 10.682 -11.134 -2.661 147 HZ2 LYS 37 HZ2 LYS 37 9.404 -11.238 -3.763 148 HZ3 LYS 37 HZ3 LYS 37 9.292 -12.014 -2.266 149 H VAL 38 HN VAL 38 6.729 -4.429 -0.525 150 HA VAL 38 HA VAL 38 7.409 -2.318 -2.413 151 HB VAL 38 HB VAL 38 7.373 -1.937 0.563 152 HG11 VAL 38 HG11 VAL 38 6.730 0.258 0.087 153 HG12 VAL 38 HG12 VAL 38 6.174 -0.158 -1.532 154 HG13 VAL 38 HG13 VAL 38 7.898 -0.128 -1.173 155 HG21 VAL 38 HG21 VAL 38 5.388 -3.315 0.060 156 HG22 VAL 38 HG22 VAL 38 4.864 -2.096 -1.102 157 HG23 VAL 38 HG23 VAL 38 4.971 -1.693 0.612 158 H LYS 39 HN LYS 39 9.296 -0.841 -1.611 159 HA LYS 39 HA LYS 39 11.423 -2.498 -0.464 160 HB2 LYS 39 HB2 LYS 39 11.664 -0.767 -2.926 161 HB3 LYS 39 HB1 LYS 39 13.021 -1.503 -2.089 162 HG2 LYS 39 HG2 LYS 39 11.974 -3.730 -2.502 163 HG3 LYS 39 HG1 LYS 39 10.777 -2.913 -3.508 164 HD2 LYS 39 HD2 LYS 39 13.754 -2.807 -3.960 165 HD3 LYS 39 HD1 LYS 39 12.652 -3.902 -4.794 166 HE2 LYS 39 HE2 LYS 39 11.401 -1.905 -5.604 167 HE3 LYS 39 HE1 LYS 39 12.662 -0.892 -4.899 168 HZ1 LYS 39 HZ1 LYS 39 13.132 -1.203 -7.201 169 HZ2 LYS 39 HZ2 LYS 39 12.986 -2.885 -7.065 170 HZ3 LYS 39 HZ3 LYS 39 14.271 -2.090 -6.313 171 H MET 40 HN MET 40 13.436 -0.903 -0.113 172 HA MET 40 HA MET 40 12.400 1.083 1.719 173 HB2 MET 40 HB2 MET 40 14.287 -0.487 2.264 174 HB3 MET 40 HB1 MET 40 15.287 0.418 1.135 175 HG2 MET 40 HG2 MET 40 15.599 1.041 3.516 176 HG3 MET 40 HG1 MET 40 15.149 2.383 2.466 177 HE1 MET 40 HE1 MET 40 12.773 -0.453 3.893 178 HE2 MET 40 HE2 MET 40 12.249 0.302 5.398 179 HE3 MET 40 HE3 MET 40 13.937 -0.157 5.182 180 H THR 41 HN THR 41 14.037 1.012 -1.360 181 HA THR 41 HA THR 41 14.738 3.790 -1.364 182 HB THR 41 HB THR 41 15.812 1.883 -2.747 183 HG1 THR 41 HG1 THR 41 15.792 3.678 -4.626 184 HG21 THR 41 HG21 THR 41 14.037 0.913 -3.927 185 HG22 THR 41 HG22 THR 41 14.832 1.920 -5.136 186 HG23 THR 41 HG23 THR 41 13.333 2.476 -4.370 187 H THR 42 HN THR 42 11.905 2.017 -2.102 188 HA THR 42 HA THR 42 10.838 3.937 -3.955 189 HB THR 42 HB THR 42 8.899 2.504 -4.044 190 HG1 THR 42 HG1 THR 42 9.209 2.058 -1.582 191 HG21 THR 42 HG21 THR 42 10.861 1.725 -5.252 192 HG22 THR 42 HG22 THR 42 9.960 0.349 -4.615 193 HG23 THR 42 HG23 THR 42 11.437 0.889 -3.820 194 H HIS 43 HN HIS 43 9.493 5.586 -3.540 195 HA HIS 43 HA HIS 43 8.932 6.261 -0.777 196 HB2 HIS 43 HB2 HIS 43 8.034 7.714 -3.282 197 HB3 HIS 43 HB1 HIS 43 8.052 8.350 -1.645 198 HD2 HIS 43 HD2 HIS 43 11.433 6.843 -1.903 199 HE1 HIS 43 HE1 HIS 43 11.780 10.620 -3.728 200 HE2 HIS 43 HE2 HIS 43 13.028 8.716 -2.636 201 H LEU 44 HN LEU 44 6.699 6.628 -0.020 202 HA LEU 44 HA LEU 44 4.951 4.583 -1.050 203 HB2 LEU 44 HB2 LEU 44 4.564 6.570 1.186 204 HB3 LEU 44 HB1 LEU 44 3.408 5.320 0.768 205 HG LEU 44 HG LEU 44 6.209 4.904 1.810 206 HD11 LEU 44 HD11 LEU 44 4.558 5.578 3.491 207 HD12 LEU 44 HD12 LEU 44 5.092 3.914 3.727 208 HD13 LEU 44 HD13 LEU 44 3.519 4.241 2.999 209 HD21 LEU 44 HD21 LEU 44 5.521 2.483 1.836 210 HD22 LEU 44 HD22 LEU 44 5.829 3.166 0.240 211 HD23 LEU 44 HD23 LEU 44 4.172 2.937 0.796 212 H LYS 45 HN LYS 45 5.601 7.523 -2.159 213 HA LYS 45 HA LYS 45 3.057 8.678 -2.590 214 HB2 LYS 45 HB2 LYS 45 4.973 10.080 -2.789 215 HB3 LYS 45 HB1 LYS 45 5.725 9.007 -3.959 216 HG2 LYS 45 HG2 LYS 45 4.925 10.973 -5.075 217 HG3 LYS 45 HG1 LYS 45 3.954 9.590 -5.582 218 HD2 LYS 45 HD2 LYS 45 2.381 10.349 -3.640 219 HD3 LYS 45 HD1 LYS 45 3.217 11.892 -3.827 220 HE2 LYS 45 HE2 LYS 45 2.581 12.002 -6.152 221 HE3 LYS 45 HE1 LYS 45 1.853 10.398 -6.059 222 HZ1 LYS 45 HZ1 LYS 45 0.928 12.868 -4.709 223 HZ2 LYS 45 HZ2 LYS 45 0.313 11.329 -4.357 224 HZ3 LYS 45 HZ3 LYS 45 0.122 11.988 -5.908 225 H LYS 46 HN LYS 46 5.169 6.730 -4.706 226 HA LYS 46 HA LYS 46 3.195 6.544 -6.770 227 HB2 LYS 46 HB2 LYS 46 5.705 6.381 -7.099 228 HB3 LYS 46 HB1 LYS 46 5.608 4.762 -6.421 229 HG2 LYS 46 HG2 LYS 46 3.969 4.196 -8.225 230 HG3 LYS 46 HG1 LYS 46 4.318 5.764 -8.950 231 HD2 LYS 46 HD2 LYS 46 6.452 3.727 -8.351 232 HD3 LYS 46 HD1 LYS 46 5.590 3.786 -9.887 233 HE2 LYS 46 HE2 LYS 46 6.339 6.127 -10.171 234 HE3 LYS 46 HE1 LYS 46 7.270 5.980 -8.682 235 HZ1 LYS 46 HZ1 LYS 46 7.698 4.577 -11.252 236 HZ2 LYS 46 HZ2 LYS 46 8.404 4.036 -9.815 237 HZ3 LYS 46 HZ3 LYS 46 8.775 5.576 -10.410 238 H LEU 47 HN LEU 47 3.912 4.780 -3.907 239 HA LEU 47 HA LEU 47 2.893 2.252 -4.526 240 HB2 LEU 47 HB2 LEU 47 3.449 3.782 -2.077 241 HB3 LEU 47 HB1 LEU 47 2.234 2.535 -1.898 242 HG LEU 47 HG LEU 47 4.398 1.680 -1.253 243 HD11 LEU 47 HD11 LEU 47 3.609 0.516 -3.915 244 HD12 LEU 47 HD12 LEU 47 2.796 0.180 -2.385 245 HD13 LEU 47 HD13 LEU 47 4.477 -0.294 -2.614 246 HD21 LEU 47 HD21 LEU 47 5.235 2.687 -3.948 247 HD22 LEU 47 HD22 LEU 47 6.117 1.390 -3.143 248 HD23 LEU 47 HD23 LEU 47 5.977 2.971 -2.374 249 H LYS 48 HN LYS 48 1.261 5.054 -3.112 250 HA LYS 48 HA LYS 48 -1.239 3.879 -2.736 251 HB2 LYS 48 HB2 LYS 48 -0.554 6.770 -3.258 252 HB3 LYS 48 HB1 LYS 48 -2.095 6.194 -2.640 253 HG2 LYS 48 HG2 LYS 48 -0.962 5.298 -0.664 254 HG3 LYS 48 HG1 LYS 48 0.577 5.898 -1.282 255 HD2 LYS 48 HD2 LYS 48 -0.232 7.464 0.331 256 HD3 LYS 48 HD1 LYS 48 -0.402 8.196 -1.267 257 HE2 LYS 48 HE2 LYS 48 -2.767 7.620 -1.298 258 HE3 LYS 48 HE1 LYS 48 -2.610 6.820 0.264 259 HZ1 LYS 48 HZ1 LYS 48 -3.536 9.094 0.377 260 HZ2 LYS 48 HZ2 LYS 48 -2.059 9.701 -0.194 261 HZ3 LYS 48 HZ3 LYS 48 -2.130 8.894 1.300 262 H GLU 49 HN GLU 49 -0.167 5.934 -5.460 263 HA GLU 49 HA GLU 49 -2.601 5.741 -6.861 264 HB2 GLU 49 HB2 GLU 49 -1.231 6.491 -8.843 265 HB3 GLU 49 HB1 GLU 49 -1.186 7.535 -7.432 266 HG2 GLU 49 HG2 GLU 49 0.986 6.859 -6.867 267 HG3 GLU 49 HG1 GLU 49 0.925 5.475 -7.958 268 H SER 50 HN SER 50 0.337 3.760 -7.037 269 HA SER 50 HA SER 50 -0.401 2.313 -9.337 270 HB2 SER 50 HB2 SER 50 1.348 1.402 -7.042 271 HB3 SER 50 HB1 SER 50 1.290 0.686 -8.654 272 HG SER 50 HG SER 50 2.393 3.110 -7.808 273 H TYR 51 HN TYR 51 -1.114 1.797 -5.912 274 HA TYR 51 HA TYR 51 -2.297 -0.756 -6.247 275 HB2 TYR 51 HB2 TYR 51 -1.562 0.315 -4.051 276 HB3 TYR 51 HB1 TYR 51 -3.059 1.239 -4.112 277 HD1 TYR 51 HD1 TYR 51 -1.653 -2.163 -3.858 278 HD2 TYR 51 HD2 TYR 51 -5.146 0.238 -3.540 279 HE1 TYR 51 HE1 TYR 51 -2.839 -4.043 -2.821 280 HE2 TYR 51 HE2 TYR 51 -6.346 -1.639 -2.497 281 HH TYR 51 HH TYR 51 -5.807 -4.496 -2.701 282 H CYS 52 HN CYS 52 -3.473 2.524 -6.521 283 HA CYS 52 HA CYS 52 -6.230 1.943 -6.669 284 HB2 CYS 52 HB2 CYS 52 -4.723 4.246 -7.936 285 HB3 CYS 52 HB1 CYS 52 -6.457 4.178 -7.645 286 HG CYS 52 HG CYS 52 -4.022 4.277 -5.238 287 H GLN 53 HN GLN 53 -3.677 2.177 -9.110 288 HA GLN 53 HA GLN 53 -5.287 1.837 -11.394 289 HB2 GLN 53 HB2 GLN 53 -2.471 0.795 -11.099 290 HB3 GLN 53 HB1 GLN 53 -3.279 1.298 -12.574 291 HG2 GLN 53 HG2 GLN 53 -3.105 3.567 -12.029 292 HG3 GLN 53 HG1 GLN 53 -2.730 3.217 -10.341 293 HE21 GLN 53 HE21 GLN 53 -1.231 4.839 -12.204 294 HE22 GLN 53 HE22 GLN 53 0.341 4.128 -12.317 295 H ARG 54 HN ARG 54 -3.710 -0.435 -9.231 296 HA ARG 54 HA ARG 54 -4.191 -2.812 -10.619 297 HB2 ARG 54 HB2 ARG 54 -2.656 -2.806 -8.783 298 HB3 ARG 54 HB1 ARG 54 -3.885 -2.221 -7.674 299 HG2 ARG 54 HG2 ARG 54 -3.660 -4.468 -7.135 300 HG3 ARG 54 HG1 ARG 54 -5.099 -4.421 -8.154 301 HD2 ARG 54 HD2 ARG 54 -3.581 -4.990 -10.096 302 HD3 ARG 54 HD1 ARG 54 -2.323 -5.310 -8.901 303 HE ARG 54 HE ARG 54 -4.684 -6.725 -8.255 304 HH11 ARG 54 HH11 ARG 54 -2.009 -6.764 -10.512 305 HH12 ARG 54 HH12 ARG 54 -2.083 -8.478 -10.767 306 HH21 ARG 54 HH21 ARG 54 -4.799 -8.975 -8.588 307 HH22 ARG 54 HH22 ARG 54 -3.680 -9.740 -9.671 308 H GLN 55 HN GLN 55 -6.236 -0.976 -8.401 309 HA GLN 55 HA GLN 55 -8.332 -2.995 -8.544 310 HB2 GLN 55 HB2 GLN 55 -8.075 -0.405 -7.029 311 HB3 GLN 55 HB1 GLN 55 -9.566 -1.337 -7.055 312 HG2 GLN 55 HG2 GLN 55 -6.895 -2.242 -6.006 313 HG3 GLN 55 HG1 GLN 55 -8.318 -1.822 -5.055 314 HE21 GLN 55 HE21 GLN 55 -10.108 -3.225 -5.074 315 HE22 GLN 55 HE22 GLN 55 -9.949 -4.879 -5.551 316 H GLY 56 HN GLY 56 -7.338 -0.471 -10.434 317 HA2 GLY 56 HA2 GLY 56 -8.305 0.486 -12.297 318 HA3 GLY 56 HA1 GLY 56 -9.719 -0.514 -12.010 319 H VAL 57 HN VAL 57 -8.410 1.692 -9.629 320 HA VAL 57 HA VAL 57 -10.777 3.414 -10.014 321 HB VAL 57 HB VAL 57 -10.544 3.902 -7.514 322 HG11 VAL 57 HG11 VAL 57 -11.878 1.956 -6.886 323 HG12 VAL 57 HG12 VAL 57 -11.381 1.131 -8.363 324 HG13 VAL 57 HG13 VAL 57 -12.371 2.585 -8.457 325 HG21 VAL 57 HG21 VAL 57 -8.371 2.981 -7.091 326 HG22 VAL 57 HG22 VAL 57 -8.875 1.398 -7.682 327 HG23 VAL 57 HG23 VAL 57 -9.557 2.040 -6.188 328 HA PRO 58 HA PRO 58 -8.018 6.845 -10.395 329 HB2 PRO 58 HB2 PRO 58 -9.487 8.844 -9.290 330 HB3 PRO 58 HB1 PRO 58 -9.860 8.142 -10.870 331 HG2 PRO 58 HG2 PRO 58 -11.113 7.571 -8.222 332 HG3 PRO 58 HG1 PRO 58 -11.883 7.789 -9.807 333 HD2 PRO 58 HD2 PRO 58 -11.461 5.348 -8.750 334 HD3 PRO 58 HD1 PRO 58 -11.389 5.654 -10.497 335 H MET 59 HN MET 59 -7.220 8.821 -8.996 336 HA MET 59 HA MET 59 -6.081 7.671 -6.619 337 HB2 MET 59 HB2 MET 59 -5.146 9.464 -8.414 338 HB3 MET 59 HB1 MET 59 -5.707 10.557 -7.157 339 HG2 MET 59 HG2 MET 59 -3.909 8.237 -6.541 340 HG3 MET 59 HG1 MET 59 -3.275 9.790 -7.078 341 HE1 MET 59 HE1 MET 59 -1.864 9.441 -4.657 342 HE2 MET 59 HE2 MET 59 -2.861 8.039 -4.270 343 HE3 MET 59 HE3 MET 59 -2.703 9.355 -3.107 344 H ASN 60 HN ASN 60 -6.332 8.369 -4.526 345 HA ASN 60 HA ASN 60 -7.348 9.146 -2.668 346 HB2 ASN 60 HB2 ASN 60 -7.241 11.380 -4.087 347 HB3 ASN 60 HB1 ASN 60 -8.990 11.169 -4.130 348 HD21 ASN 60 HD21 ASN 60 -10.154 11.241 -2.177 349 HD22 ASN 60 HD22 ASN 60 -9.481 11.948 -0.749 350 H SER 61 HN SER 61 -8.432 7.047 -4.231 351 HA SER 61 HA SER 61 -11.322 7.294 -3.787 352 HB2 SER 61 HB2 SER 61 -11.375 5.096 -5.057 353 HB3 SER 61 HB1 SER 61 -10.785 6.475 -5.986 354 HG SER 61 HG SER 61 -8.930 5.515 -6.185 355 H LEU 62 HN LEU 62 -8.611 5.108 -3.225 356 HA LEU 62 HA LEU 62 -10.006 3.996 -0.891 357 HB2 LEU 62 HB2 LEU 62 -7.704 2.841 -2.471 358 HB3 LEU 62 HB1 LEU 62 -8.505 2.073 -1.114 359 HG LEU 62 HG LEU 62 -9.860 2.727 -3.731 360 HD11 LEU 62 HD11 LEU 62 -9.693 0.354 -4.227 361 HD12 LEU 62 HD12 LEU 62 -8.798 0.088 -2.730 362 HD13 LEU 62 HD13 LEU 62 -8.087 1.057 -4.021 363 HD21 LEU 62 HD21 LEU 62 -10.713 1.146 -1.312 364 HD22 LEU 62 HD22 LEU 62 -11.553 1.113 -2.862 365 HD23 LEU 62 HD23 LEU 62 -11.449 2.617 -1.948 366 H ARG 63 HN ARG 63 -9.062 4.072 1.077 367 HA ARG 63 HA ARG 63 -6.579 5.637 1.265 368 HB2 ARG 63 HB2 ARG 63 -7.319 6.093 3.620 369 HB3 ARG 63 HB1 ARG 63 -8.365 6.773 2.382 370 HG2 ARG 63 HG2 ARG 63 -9.975 5.015 2.711 371 HG3 ARG 63 HG1 ARG 63 -8.899 4.196 3.841 372 HD2 ARG 63 HD2 ARG 63 -9.024 6.131 5.343 373 HD3 ARG 63 HD1 ARG 63 -10.129 6.921 4.223 374 HE ARG 63 HE ARG 63 -10.739 4.428 5.685 375 HH11 ARG 63 HH11 ARG 63 -11.740 7.472 4.237 376 HH12 ARG 63 HH12 ARG 63 -13.394 7.291 4.740 377 HH21 ARG 63 HH21 ARG 63 -14.061 5.422 5.900 378 HH22 ARG 63 HH22 ARG 63 -12.913 4.183 6.292 379 H PHE 64 HN PHE 64 -4.963 4.976 2.720 380 HA PHE 64 HA PHE 64 -5.089 2.121 3.421 381 HB2 PHE 64 HB2 PHE 64 -2.595 3.764 2.936 382 HB3 PHE 64 HB1 PHE 64 -2.699 2.016 3.126 383 HD1 PHE 64 HD1 PHE 64 -3.075 4.815 0.855 384 HD2 PHE 64 HD2 PHE 64 -3.668 0.634 1.341 385 HE1 PHE 64 HE1 PHE 64 -3.333 4.576 -1.577 386 HE2 PHE 64 HE2 PHE 64 -3.926 0.386 -1.094 387 HZ PHE 64 HZ PHE 64 -3.758 2.360 -2.554 388 H LEU 65 HN LEU 65 -5.087 1.656 5.514 389 HA LEU 65 HA LEU 65 -4.217 3.754 7.387 390 HB2 LEU 65 HB2 LEU 65 -6.491 1.836 7.434 391 HB3 LEU 65 HB1 LEU 65 -5.750 2.266 8.963 392 HG LEU 65 HG LEU 65 -6.804 4.323 7.027 393 HD11 LEU 65 HD11 LEU 65 -8.196 3.071 9.388 394 HD12 LEU 65 HD12 LEU 65 -8.635 2.868 7.692 395 HD13 LEU 65 HD13 LEU 65 -8.780 4.450 8.458 396 HD21 LEU 65 HD21 LEU 65 -6.762 5.773 8.981 397 HD22 LEU 65 HD22 LEU 65 -5.161 5.107 8.667 398 HD23 LEU 65 HD23 LEU 65 -6.149 4.448 9.968 399 H PHE 66 HN PHE 66 -2.539 3.342 8.590 400 HA PHE 66 HA PHE 66 -1.802 0.544 9.140 401 HB2 PHE 66 HB2 PHE 66 -0.304 1.711 7.477 402 HB3 PHE 66 HB1 PHE 66 0.132 2.839 8.755 403 HD1 PHE 66 HD1 PHE 66 0.031 -0.824 8.057 404 HD2 PHE 66 HD2 PHE 66 1.993 2.398 10.042 405 HE1 PHE 66 HE1 PHE 66 1.809 -2.358 8.793 406 HE2 PHE 66 HE2 PHE 66 3.770 0.865 10.777 407 HZ PHE 66 HZ PHE 66 3.679 -1.512 10.153 408 H GLU 67 HN GLU 67 -2.501 0.338 11.186 409 HA GLU 67 HA GLU 67 -2.699 0.591 13.423 410 HB2 GLU 67 HB2 GLU 67 -0.084 2.051 13.043 411 HB3 GLU 67 HB1 GLU 67 -0.762 1.653 14.617 412 HG2 GLU 67 HG2 GLU 67 0.040 -0.312 12.480 413 HG3 GLU 67 HG1 GLU 67 0.928 0.041 13.962 414 H GLY 68 HN GLY 68 -4.259 2.306 11.991 415 HA2 GLY 68 HA2 GLY 68 -5.689 4.042 12.534 416 HA3 GLY 68 HA1 GLY 68 -4.679 4.400 13.924 417 H GLN 69 HN GLN 69 -2.656 4.265 11.330 418 HA GLN 69 HA GLN 69 -2.812 7.180 10.967 419 HB2 GLN 69 HB2 GLN 69 -0.521 5.233 10.772 420 HB3 GLN 69 HB1 GLN 69 -0.414 6.864 10.127 421 HG2 GLN 69 HG2 GLN 69 -1.184 6.381 12.977 422 HG3 GLN 69 HG1 GLN 69 0.505 6.393 12.474 423 HE21 GLN 69 HE21 GLN 69 -0.980 8.200 14.239 424 HE22 GLN 69 HE22 GLN 69 -0.763 9.778 13.571 425 H ARG 70 HN ARG 70 -3.646 7.831 9.091 426 HA ARG 70 HA ARG 70 -3.871 5.987 6.893 427 HB2 ARG 70 HB2 ARG 70 -4.878 8.024 5.711 428 HB3 ARG 70 HB1 ARG 70 -5.753 7.355 7.078 429 HG2 ARG 70 HG2 ARG 70 -4.933 9.128 8.508 430 HG3 ARG 70 HG1 ARG 70 -3.969 9.777 7.179 431 HD2 ARG 70 HD2 ARG 70 -6.981 9.562 7.261 432 HD3 ARG 70 HD1 ARG 70 -6.037 11.040 7.437 433 HE ARG 70 HE ARG 70 -5.243 10.563 5.102 434 HH11 ARG 70 HH11 ARG 70 -9.066 9.417 4.642 435 HH12 ARG 70 HH12 ARG 70 -8.370 9.440 6.234 436 HH21 ARG 70 HH21 ARG 70 -7.843 10.021 2.825 437 HH22 ARG 70 HH22 ARG 70 -6.181 10.515 3.009 438 H ILE 71 HN ILE 71 -2.393 5.638 5.470 439 HA ILE 71 HA ILE 71 0.099 6.846 5.375 440 HB ILE 71 HB ILE 71 -1.257 5.393 3.102 441 HG12 ILE 71 HG12 ILE 71 -1.347 4.037 5.113 442 HG13 ILE 71 HG11 ILE 71 -0.133 3.378 4.022 443 HG21 ILE 71 HG21 ILE 71 0.812 6.627 2.513 444 HG22 ILE 71 HG22 ILE 71 0.957 4.881 2.318 445 HG23 ILE 71 HG23 ILE 71 1.681 5.675 3.716 446 HD11 ILE 71 HD11 ILE 71 0.379 5.050 6.469 447 HD12 ILE 71 HD12 ILE 71 1.618 4.474 5.354 448 HD13 ILE 71 HD13 ILE 71 0.668 3.320 6.290 449 H ALA 72 HN ALA 72 0.781 8.710 4.671 450 HA ALA 72 HA ALA 72 -0.918 10.359 2.978 451 HB1 ALA 72 HB1 ALA 72 1.663 10.953 4.420 452 HB2 ALA 72 HB2 ALA 72 0.037 11.414 4.926 453 HB3 ALA 72 HB3 ALA 72 0.745 12.125 3.477 454 H ASP 73 HN ASP 73 0.283 11.675 1.261 455 HA ASP 73 HA ASP 73 1.520 9.778 -0.534 456 HB2 ASP 73 HB2 ASP 73 0.500 12.582 -0.791 457 HB3 ASP 73 HB1 ASP 73 1.547 11.916 -2.040 458 H ASN 74 HN ASN 74 2.775 11.449 1.918 459 HA ASN 74 HA ASN 74 5.337 11.836 0.517 460 HB2 ASN 74 HB2 ASN 74 5.863 13.711 1.886 461 HB3 ASN 74 HB1 ASN 74 4.224 13.978 1.304 462 HD21 ASN 74 HD21 ASN 74 6.024 14.475 3.861 463 HD22 ASN 74 HD22 ASN 74 4.880 14.250 5.139 464 H HIS 75 HN HIS 75 3.906 9.708 2.327 465 HA HIS 75 HA HIS 75 5.752 9.479 4.534 466 HB2 HIS 75 HB2 HIS 75 3.398 7.892 3.572 467 HB3 HIS 75 HB1 HIS 75 4.508 7.189 4.739 468 HD2 HIS 75 HD2 HIS 75 4.634 10.511 6.023 469 HE1 HIS 75 HE1 HIS 75 0.938 9.076 7.498 470 HE2 HIS 75 HE2 HIS 75 2.729 10.852 7.748 471 H THR 76 HN THR 76 7.112 7.630 4.888 472 HA THR 76 HA THR 76 7.897 6.203 2.442 473 HB THR 76 HB THR 76 10.299 6.340 3.368 474 HG1 THR 76 HG1 THR 76 8.951 8.237 4.962 475 HG21 THR 76 HG21 THR 76 9.617 7.457 1.320 476 HG22 THR 76 HG22 THR 76 10.704 8.490 2.245 477 HG23 THR 76 HG23 THR 76 8.970 8.808 2.250 478 HA PRO 77 HA PRO 77 7.734 2.562 4.955 479 HB2 PRO 77 HB2 PRO 77 10.175 1.522 3.686 480 HB3 PRO 77 HB1 PRO 77 8.518 0.909 3.600 481 HG2 PRO 77 HG2 PRO 77 9.685 2.075 1.493 482 HG3 PRO 77 HG1 PRO 77 7.951 2.254 1.827 483 HD2 PRO 77 HD2 PRO 77 10.181 4.177 2.355 484 HD3 PRO 77 HD1 PRO 77 8.548 4.488 1.729 485 H LYS 78 HN LYS 78 10.442 4.601 5.015 486 HA LYS 78 HA LYS 78 11.981 3.156 6.967 487 HB2 LYS 78 HB2 LYS 78 12.992 4.703 5.290 488 HB3 LYS 78 HB1 LYS 78 12.194 6.047 6.090 489 HG2 LYS 78 HG2 LYS 78 14.360 6.115 6.915 490 HG3 LYS 78 HG1 LYS 78 13.452 5.301 8.188 491 HD2 LYS 78 HD2 LYS 78 15.502 4.118 7.877 492 HD3 LYS 78 HD1 LYS 78 14.199 3.121 7.225 493 HE2 LYS 78 HE2 LYS 78 14.885 3.405 5.060 494 HE3 LYS 78 HE1 LYS 78 15.595 4.986 5.379 495 HZ1 LYS 78 HZ1 LYS 78 16.756 2.423 6.327 496 HZ2 LYS 78 HZ2 LYS 78 17.456 3.959 6.427 497 HZ3 LYS 78 HZ3 LYS 78 17.244 3.225 4.920 498 H GLU 79 HN GLU 79 9.271 5.228 7.016 499 HA GLU 79 HA GLU 79 9.652 5.752 9.890 500 HB2 GLU 79 HB2 GLU 79 8.206 7.659 9.677 501 HB3 GLU 79 HB1 GLU 79 9.431 7.766 8.422 502 HG2 GLU 79 HG2 GLU 79 7.730 6.708 6.868 503 HG3 GLU 79 HG1 GLU 79 6.543 7.017 8.133 504 H LEU 80 HN LEU 80 7.303 6.082 10.906 505 HA LEU 80 HA LEU 80 5.324 5.188 11.564 506 HB2 LEU 80 HB2 LEU 80 5.385 3.877 8.851 507 HB3 LEU 80 HB1 LEU 80 4.059 3.694 9.982 508 HG LEU 80 HG LEU 80 4.910 6.432 9.116 509 HD11 LEU 80 HD11 LEU 80 4.618 5.139 7.059 510 HD12 LEU 80 HD12 LEU 80 3.328 6.321 7.269 511 HD13 LEU 80 HD13 LEU 80 3.027 4.619 7.614 512 HD21 LEU 80 HD21 LEU 80 3.343 6.302 10.939 513 HD22 LEU 80 HD22 LEU 80 2.313 5.202 10.026 514 HD23 LEU 80 HD23 LEU 80 2.502 6.873 9.498 515 H GLY 81 HN GLY 81 7.360 2.776 9.939 516 HA2 GLY 81 HA2 GLY 81 8.474 1.107 11.315 517 HA3 GLY 81 HA1 GLY 81 7.032 1.062 12.321 518 H MET 82 HN MET 82 7.786 0.748 8.855 519 HA MET 82 HA MET 82 5.816 -1.407 8.678 520 HB2 MET 82 HB2 MET 82 7.133 0.390 6.677 521 HB3 MET 82 HB1 MET 82 6.450 -1.143 6.150 522 HG2 MET 82 HG2 MET 82 4.283 -0.440 7.153 523 HG3 MET 82 HG1 MET 82 5.004 1.137 7.471 524 HE1 MET 82 HE1 MET 82 2.320 0.540 5.781 525 HE2 MET 82 HE2 MET 82 2.499 1.664 4.435 526 HE3 MET 82 HE3 MET 82 2.893 2.182 6.074 527 H GLU 83 HN GLU 83 6.478 -3.439 8.824 528 HA GLU 83 HA GLU 83 9.219 -4.076 7.924 529 HB2 GLU 83 HB2 GLU 83 7.654 -5.027 10.298 530 HB3 GLU 83 HB1 GLU 83 8.914 -6.039 9.609 531 HG2 GLU 83 HG2 GLU 83 9.325 -3.218 10.558 532 HG3 GLU 83 HG1 GLU 83 9.658 -4.657 11.516 533 H GLU 84 HN GLU 84 9.334 -6.613 7.683 534 HA GLU 84 HA GLU 84 7.721 -7.280 5.452 535 HB2 GLU 84 HB2 GLU 84 9.954 -8.126 5.596 536 HB3 GLU 84 HB1 GLU 84 9.643 -8.857 7.160 537 HG2 GLU 84 HG2 GLU 84 9.630 -10.662 5.719 538 HG3 GLU 84 HG1 GLU 84 7.919 -10.294 5.912 539 H GLU 85 HN GLU 85 5.976 -8.617 5.272 540 HA GLU 85 HA GLU 85 4.206 -9.925 5.815 541 HB2 GLU 85 HB2 GLU 85 5.862 -10.451 8.272 542 HB3 GLU 85 HB1 GLU 85 4.261 -11.147 8.059 543 HG2 GLU 85 HG2 GLU 85 6.309 -11.489 5.923 544 HG3 GLU 85 HG1 GLU 85 6.380 -12.484 7.375 545 H ASP 86 HN ASP 86 4.638 -7.012 6.817 546 HA ASP 86 HA ASP 86 2.845 -6.850 9.059 547 HB2 ASP 86 HB2 ASP 86 4.518 -4.991 7.557 548 HB3 ASP 86 HB1 ASP 86 2.944 -4.306 7.948 549 H VAL 87 HN VAL 87 0.746 -5.974 9.059 550 HA VAL 87 HA VAL 87 -0.699 -6.491 6.561 551 HB VAL 87 HB VAL 87 -1.976 -5.978 9.239 552 HG11 VAL 87 HG11 VAL 87 -2.858 -7.481 6.780 553 HG12 VAL 87 HG12 VAL 87 -3.483 -5.939 7.360 554 HG13 VAL 87 HG13 VAL 87 -3.760 -7.408 8.293 555 HG21 VAL 87 HG21 VAL 87 -1.003 -8.633 8.195 556 HG22 VAL 87 HG22 VAL 87 -1.992 -8.394 9.634 557 HG23 VAL 87 HG23 VAL 87 -0.348 -7.758 9.578 558 H ILE 88 HN ILE 88 -2.106 -5.002 5.646 559 HA ILE 88 HA ILE 88 -2.137 -2.301 6.790 560 HB ILE 88 HB ILE 88 -0.434 -2.231 5.069 561 HG12 ILE 88 HG12 ILE 88 -1.721 -0.688 3.366 562 HG13 ILE 88 HG11 ILE 88 -3.045 -0.881 4.508 563 HG21 ILE 88 HG21 ILE 88 -2.517 -3.316 3.181 564 HG22 ILE 88 HG22 ILE 88 -1.103 -4.183 3.779 565 HG23 ILE 88 HG23 ILE 88 -0.899 -2.776 2.736 566 HD11 ILE 88 HD11 ILE 88 -1.611 -0.012 6.293 567 HD12 ILE 88 HD12 ILE 88 -1.806 1.140 4.971 568 HD13 ILE 88 HD13 ILE 88 -0.310 0.215 5.124 569 H GLU 89 HN GLU 89 -4.096 -1.274 6.637 570 HA GLU 89 HA GLU 89 -6.273 -2.863 5.494 571 HB2 GLU 89 HB2 GLU 89 -6.291 -0.565 7.453 572 HB3 GLU 89 HB1 GLU 89 -7.744 -1.320 6.814 573 HG2 GLU 89 HG2 GLU 89 -6.744 -3.507 7.736 574 HG3 GLU 89 HG1 GLU 89 -5.699 -2.446 8.681 575 H VAL 90 HN VAL 90 -7.529 -2.159 3.854 576 HA VAL 90 HA VAL 90 -7.090 0.578 2.882 577 HB VAL 90 HB VAL 90 -5.758 -0.773 1.427 578 HG11 VAL 90 HG11 VAL 90 -8.182 -2.513 0.999 579 HG12 VAL 90 HG12 VAL 90 -6.728 -2.958 1.889 580 HG13 VAL 90 HG13 VAL 90 -6.642 -2.663 0.153 581 HG21 VAL 90 HG21 VAL 90 -6.841 -0.383 -0.744 582 HG22 VAL 90 HG22 VAL 90 -7.017 0.997 0.339 583 HG23 VAL 90 HG23 VAL 90 -8.374 -0.101 0.083 584 H TYR 91 HN TYR 91 -8.932 1.643 2.828 585 HA TYR 91 HA TYR 91 -11.401 0.196 2.171 586 HB2 TYR 91 HB2 TYR 91 -11.048 2.205 4.404 587 HB3 TYR 91 HB1 TYR 91 -12.601 1.574 3.866 588 HD1 TYR 91 HD1 TYR 91 -12.809 -1.036 3.865 589 HD2 TYR 91 HD2 TYR 91 -9.942 1.126 6.141 590 HE1 TYR 91 HE1 TYR 91 -12.545 -2.970 5.360 591 HE2 TYR 91 HE2 TYR 91 -9.674 -0.800 7.642 592 HH TYR 91 HH TYR 91 -10.247 -2.884 8.075 593 H GLN 92 HN GLN 92 -13.227 1.958 1.845 594 HA GLN 92 HA GLN 92 -12.175 3.688 -0.250 595 HB2 GLN 92 HB2 GLN 92 -14.160 2.116 -0.525 596 HB3 GLN 92 HB1 GLN 92 -15.067 3.250 0.464 597 HG2 GLN 92 HG2 GLN 92 -14.999 4.911 -1.148 598 HG3 GLN 92 HG1 GLN 92 -13.633 4.178 -1.988 599 HE21 GLN 92 HE21 GLN 92 -17.060 4.059 -1.444 600 HE22 GLN 92 HE22 GLN 92 -17.438 3.016 -2.772 601 H GLU 93 HN GLU 93 -12.316 5.863 -0.296 602 HA GLU 93 HA GLU 93 -12.566 7.238 2.203 603 HB2 GLU 93 HB2 GLU 93 -11.954 8.066 -0.617 604 HB3 GLU 93 HB1 GLU 93 -12.265 9.278 0.616 605 HG2 GLU 93 HG2 GLU 93 -10.204 7.138 0.996 606 HG3 GLU 93 HG1 GLU 93 -9.843 8.643 0.151 607 H GLN 94 HN GLN 94 -13.849 9.375 2.223 608 HA GLN 94 HA GLN 94 -16.600 8.703 2.003 609 HB2 GLN 94 HB2 GLN 94 -15.669 10.213 3.746 610 HB3 GLN 94 HB1 GLN 94 -15.369 11.418 2.502 611 HG2 GLN 94 HG2 GLN 94 -17.913 11.148 2.015 612 HG3 GLN 94 HG1 GLN 94 -17.958 10.483 3.646 613 HE21 GLN 94 HE21 GLN 94 -19.220 12.198 4.369 614 HE22 GLN 94 HE22 GLN 94 -18.557 13.776 4.630 615 H THR 95 HN THR 95 -14.416 10.712 0.082 616 HA THR 95 HA THR 95 -16.447 11.823 -1.565 617 HB THR 95 HB THR 95 -14.331 12.100 -3.148 618 HG1 THR 95 HG1 THR 95 -12.875 12.143 -0.790 619 HG21 THR 95 HG21 THR 95 -15.565 13.888 -1.916 620 HG22 THR 95 HG22 THR 95 -13.830 14.176 -2.029 621 HG23 THR 95 HG23 THR 95 -14.529 13.583 -0.523 622 H GLY 96 HN GLY 96 -13.841 9.659 -2.655 623 HA2 GLY 96 HA2 GLY 96 -14.830 7.418 -3.486 624 HA3 GLY 96 HA1 GLY 96 -15.759 8.471 -4.542 625 H GLY 97 HN GLY 97 -13.335 10.308 -4.667 626 HA2 GLY 97 HA2 GLY 97 -11.097 9.080 -5.701 627 HA3 GLY 97 HA1 GLY 97 -12.230 9.179 -7.042 628 H1 ASP 195 HN ASP 195 -6.408 -21.646 -5.457 629 HA ASP 195 HA ASP 195 -7.978 -20.106 -3.768 630 HB2 ASP 195 HB2 ASP 195 -6.007 -21.006 -2.219 631 HB3 ASP 195 HB1 ASP 195 -5.128 -19.684 -2.972 632 H THR 196 HN THR 196 -6.936 -17.711 -3.758 633 HA THR 196 HA THR 196 -5.790 -17.345 -6.443 634 HB THR 196 HB THR 196 -7.249 -14.995 -5.679 635 HG1 THR 196 HG1 THR 196 -8.383 -17.299 -4.853 636 HG21 THR 196 HG21 THR 196 -8.421 -15.414 -7.788 637 HG22 THR 196 HG22 THR 196 -7.791 -17.059 -7.818 638 HG23 THR 196 HG23 THR 196 -6.691 -15.692 -7.981 639 H ALA 197 HN ALA 197 -3.854 -16.372 -6.373 640 HA ALA 197 HA ALA 197 -3.250 -14.660 -4.057 641 HB1 ALA 197 HB1 ALA 197 -0.956 -15.466 -4.090 642 HB2 ALA 197 HB2 ALA 197 -1.354 -16.566 -5.412 643 HB3 ALA 197 HB3 ALA 197 -2.094 -16.792 -3.828 644 H GLY 198 HN GLY 198 -2.546 -12.673 -4.559 645 HA2 GLY 198 HA2 GLY 198 -1.595 -12.258 -7.330 646 HA3 GLY 198 HA1 GLY 198 -2.562 -11.073 -6.458 647 H CYS 199 HN CYS 199 0.456 -11.556 -7.488 648 HA CYS 199 HA CYS 199 1.597 -10.194 -5.137 649 HB2 CYS 199 HB2 CYS 199 3.205 -11.792 -7.131 650 HB3 CYS 199 HB1 CYS 199 3.693 -11.240 -5.532 651 HG CYS 199 HG CYS 199 1.956 -13.005 -4.174 652 H ILE 200 HN ILE 200 2.229 -8.212 -5.472 653 HA ILE 200 HA ILE 200 2.767 -7.334 -8.230 654 HB ILE 200 HB ILE 200 0.636 -6.456 -7.633 655 HG12 ILE 200 HG12 ILE 200 2.610 -4.207 -7.194 656 HG13 ILE 200 HG11 ILE 200 2.266 -4.912 -8.771 657 HG21 ILE 200 HG21 ILE 200 0.950 -6.746 -5.165 658 HG22 ILE 200 HG22 ILE 200 0.127 -5.263 -5.647 659 HG23 ILE 200 HG23 ILE 200 1.823 -5.211 -5.166 660 HD11 ILE 200 HD11 ILE 200 0.312 -3.495 -6.978 661 HD12 ILE 200 HD12 ILE 200 -0.086 -4.258 -8.518 662 HD13 ILE 200 HD13 ILE 200 1.014 -2.879 -8.476 663 H VAL 201 HN VAL 201 4.610 -6.248 -8.588 664 HA VAL 201 HA VAL 201 6.133 -5.318 -6.245 665 HB VAL 201 HB VAL 201 7.347 -6.235 -8.855 666 HG11 VAL 201 HG11 VAL 201 9.451 -6.171 -7.594 667 HG12 VAL 201 HG12 VAL 201 8.578 -5.578 -6.180 668 HG13 VAL 201 HG13 VAL 201 8.669 -4.589 -7.636 669 HG21 VAL 201 HG21 VAL 201 6.371 -8.155 -7.781 670 HG22 VAL 201 HG22 VAL 201 7.077 -7.695 -6.232 671 HG23 VAL 201 HG23 VAL 201 8.121 -8.208 -7.558 672 H ILE 202 HN ILE 202 6.788 -3.251 -6.246 673 HA ILE 202 HA ILE 202 6.181 -1.652 -8.636 674 HB ILE 202 HB ILE 202 4.613 -1.260 -6.757 675 HG12 ILE 202 HG12 ILE 202 6.443 1.038 -7.438 676 HG13 ILE 202 HG11 ILE 202 5.058 0.505 -8.383 677 HG21 ILE 202 HG21 ILE 202 7.065 -0.258 -5.306 678 HG22 ILE 202 HG22 ILE 202 6.103 -1.675 -4.880 679 HG23 ILE 202 HG23 ILE 202 5.400 -0.062 -4.763 680 HD11 ILE 202 HD11 ILE 202 5.101 1.869 -5.721 681 HD12 ILE 202 HD12 ILE 202 3.666 1.040 -6.323 682 HD13 ILE 202 HD13 ILE 202 4.345 2.398 -7.221 683 H SEP 203 HN SEP 203 7.745 -0.170 -9.347 684 HA SEP 203 HA SEP 203 10.222 -0.156 -7.736 685 HB2 SEP 203 HB1 SEP 203 9.774 0.159 -10.714 686 HB3 SEP 203 HB2 SEP 203 10.467 -1.244 -9.910 687 H ASP 204 HN ASP 204 10.488 1.666 -6.725 688 HA ASP 204 HA ASP 204 9.997 4.190 -8.093 689 HB2 ASP 204 HB2 ASP 204 8.123 3.603 -6.524 690 HB3 ASP 204 HB1 ASP 204 9.261 3.834 -5.229 691 H SEP 205 HN SEP 205 11.618 5.602 -7.926 692 HA SEP 205 HA SEP 205 13.451 5.329 -5.658 693 HB2 SEP 205 HB1 SEP 205 15.018 6.334 -7.666 694 HB3 SEP 205 HB2 SEP 205 14.175 4.954 -8.381 695 H GLU 206 HN GLU 206 14.323 7.132 -4.776 696 HA GLU 206 HA GLU 206 13.000 9.534 -4.770 697 HB2 GLU 206 HB2 GLU 206 14.580 9.230 -3.070 698 HB3 GLU 206 HB1 GLU 206 15.858 8.807 -4.195 699 HG2 GLU 206 HG2 GLU 206 16.357 10.944 -3.330 700 HG3 GLU 206 HG1 GLU 206 15.825 11.161 -4.997 Start of MODEL 15 1 H1 TYR 21 HN TYR 21 13.083 -7.625 -0.037 2 HA TYR 21 HA TYR 21 11.811 -5.224 -0.969 3 HB2 TYR 21 HB2 TYR 21 11.216 -7.870 -2.222 4 HB3 TYR 21 HB1 TYR 21 9.878 -6.765 -1.933 5 HD1 TYR 21 HD1 TYR 21 9.355 -5.183 -3.537 6 HD2 TYR 21 HD2 TYR 21 13.261 -6.870 -3.506 7 HE1 TYR 21 HE1 TYR 21 9.869 -4.025 -5.645 8 HE2 TYR 21 HE2 TYR 21 13.783 -5.711 -5.608 9 HH TYR 21 HH TYR 21 11.695 -3.307 -6.974 10 H ILE 22 HN ILE 22 10.224 -4.637 0.397 11 HA ILE 22 HA ILE 22 9.642 -6.427 2.629 12 HB ILE 22 HB ILE 22 8.814 -3.543 2.239 13 HG12 ILE 22 HG12 ILE 22 11.261 -3.752 2.331 14 HG13 ILE 22 HG11 ILE 22 10.637 -2.965 3.776 15 HG21 ILE 22 HG21 ILE 22 8.821 -5.256 4.720 16 HG22 ILE 22 HG22 ILE 22 7.396 -4.787 3.791 17 HG23 ILE 22 HG23 ILE 22 8.347 -3.560 4.627 18 HD11 ILE 22 HD11 ILE 22 11.586 -5.808 3.523 19 HD12 ILE 22 HD12 ILE 22 10.816 -5.138 4.961 20 HD13 ILE 22 HD13 ILE 22 12.361 -4.491 4.407 21 H LYS 23 HN LYS 23 7.988 -7.771 2.346 22 HA LYS 23 HA LYS 23 5.810 -6.968 0.561 23 HB2 LYS 23 HB2 LYS 23 7.019 -9.138 0.231 24 HB3 LYS 23 HB1 LYS 23 6.344 -9.680 1.759 25 HG2 LYS 23 HG2 LYS 23 4.065 -9.167 0.722 26 HG3 LYS 23 HG1 LYS 23 4.932 -9.104 -0.816 27 HD2 LYS 23 HD2 LYS 23 4.143 -11.322 -0.616 28 HD3 LYS 23 HD1 LYS 23 5.860 -11.387 -0.225 29 HE2 LYS 23 HE2 LYS 23 4.046 -10.924 2.046 30 HE3 LYS 23 HE1 LYS 23 3.921 -12.505 1.280 31 HZ1 LYS 23 HZ1 LYS 23 5.515 -12.601 3.044 32 HZ2 LYS 23 HZ2 LYS 23 6.380 -11.281 2.426 33 HZ3 LYS 23 HZ3 LYS 23 6.342 -12.747 1.573 34 H LEU 24 HN LEU 24 4.042 -6.182 1.378 35 HA LEU 24 HA LEU 24 3.328 -6.743 4.171 36 HB2 LEU 24 HB2 LEU 24 2.029 -4.710 2.366 37 HB3 LEU 24 HB1 LEU 24 2.023 -4.763 4.119 38 HG LEU 24 HG LEU 24 4.508 -4.240 2.490 39 HD11 LEU 24 HD11 LEU 24 2.650 -2.254 3.794 40 HD12 LEU 24 HD12 LEU 24 2.862 -2.495 2.060 41 HD13 LEU 24 HD13 LEU 24 4.200 -1.886 3.033 42 HD21 LEU 24 HD21 LEU 24 5.381 -3.389 4.605 43 HD22 LEU 24 HD22 LEU 24 4.895 -5.079 4.754 44 HD23 LEU 24 HD23 LEU 24 3.865 -3.803 5.404 45 H LYS 25 HN LYS 25 1.140 -7.337 4.677 46 HA LYS 25 HA LYS 25 -0.144 -8.785 2.465 47 HB2 LYS 25 HB2 LYS 25 -0.374 -9.154 5.456 48 HB3 LYS 25 HB1 LYS 25 -1.330 -10.038 4.276 49 HG2 LYS 25 HG2 LYS 25 0.880 -10.815 3.293 50 HG3 LYS 25 HG1 LYS 25 1.627 -10.183 4.761 51 HD2 LYS 25 HD2 LYS 25 1.250 -12.475 5.183 52 HD3 LYS 25 HD1 LYS 25 -0.027 -11.617 6.048 53 HE2 LYS 25 HE2 LYS 25 -1.589 -12.089 4.248 54 HE3 LYS 25 HE1 LYS 25 -0.315 -12.886 3.324 55 HZ1 LYS 25 HZ1 LYS 25 -1.130 -13.804 6.018 56 HZ2 LYS 25 HZ2 LYS 25 -0.237 -14.644 4.856 57 HZ3 LYS 25 HZ3 LYS 25 -1.891 -14.359 4.610 58 H VAL 26 HN VAL 26 -1.719 -7.690 1.543 59 HA VAL 26 HA VAL 26 -3.243 -5.709 3.018 60 HB VAL 26 HB VAL 26 -3.766 -6.627 0.199 61 HG11 VAL 26 HG11 VAL 26 -5.500 -5.271 1.224 62 HG12 VAL 26 HG12 VAL 26 -4.698 -4.395 -0.079 63 HG13 VAL 26 HG13 VAL 26 -4.313 -4.023 1.602 64 HG21 VAL 26 HG21 VAL 26 -1.807 -4.531 1.118 65 HG22 VAL 26 HG22 VAL 26 -2.331 -4.756 -0.552 66 HG23 VAL 26 HG23 VAL 26 -1.436 -6.031 0.274 67 H ILE 27 HN ILE 27 -4.956 -6.276 4.171 68 HA ILE 27 HA ILE 27 -6.218 -8.853 3.717 69 HB ILE 27 HB ILE 27 -6.926 -6.805 5.813 70 HG12 ILE 27 HG12 ILE 27 -4.552 -7.373 6.010 71 HG13 ILE 27 HG11 ILE 27 -5.467 -8.068 7.342 72 HG21 ILE 27 HG21 ILE 27 -7.805 -8.773 7.022 73 HG22 ILE 27 HG22 ILE 27 -7.433 -9.771 5.616 74 HG23 ILE 27 HG23 ILE 27 -8.631 -8.483 5.494 75 HD11 ILE 27 HD11 ILE 27 -4.528 -9.548 4.897 76 HD12 ILE 27 HD12 ILE 27 -5.425 -10.242 6.245 77 HD13 ILE 27 HD13 ILE 27 -3.795 -9.616 6.499 78 H GLY 28 HN GLY 28 -7.451 -8.726 1.906 79 HA2 GLY 28 HA2 GLY 28 -9.084 -6.512 1.217 80 HA3 GLY 28 HA1 GLY 28 -9.206 -8.132 0.546 81 H GLN 29 HN GLN 29 -11.414 -6.458 1.100 82 HA GLN 29 HA GLN 29 -12.618 -7.149 3.595 83 HB2 GLN 29 HB2 GLN 29 -13.179 -5.104 2.264 84 HB3 GLN 29 HB1 GLN 29 -13.963 -6.141 1.082 85 HG2 GLN 29 HG2 GLN 29 -15.546 -5.073 2.628 86 HG3 GLN 29 HG1 GLN 29 -15.604 -6.831 2.699 87 HE21 GLN 29 HE21 GLN 29 -14.900 -7.886 4.541 88 HE22 GLN 29 HE22 GLN 29 -14.616 -7.056 6.034 89 H ASP 30 HN ASP 30 -12.300 -8.715 0.564 90 HA ASP 30 HA ASP 30 -14.454 -10.595 1.221 91 HB2 ASP 30 HB2 ASP 30 -14.447 -11.299 -1.045 92 HB3 ASP 30 HB1 ASP 30 -14.336 -9.546 -1.085 93 H SER 31 HN SER 31 -11.745 -10.357 2.449 94 HA SER 31 HA SER 31 -10.213 -11.720 3.396 95 HB2 SER 31 HB2 SER 31 -12.071 -13.853 2.342 96 HB3 SER 31 HB1 SER 31 -10.656 -14.207 3.335 97 HG SER 31 HG SER 31 -12.761 -12.446 4.084 98 H SER 32 HN SER 32 -9.794 -10.743 0.706 99 HA SER 32 HA SER 32 -8.328 -12.872 -0.642 100 HB2 SER 32 HB2 SER 32 -7.793 -10.793 -2.180 101 HB3 SER 32 HB1 SER 32 -9.382 -11.559 -2.237 102 HG SER 32 HG SER 32 -10.253 -9.811 -1.451 103 H GLU 33 HN GLU 33 -6.135 -13.081 -0.562 104 HA GLU 33 HA GLU 33 -4.718 -11.232 1.204 105 HB2 GLU 33 HB2 GLU 33 -3.972 -13.970 0.176 106 HB3 GLU 33 HB1 GLU 33 -2.944 -12.988 1.212 107 HG2 GLU 33 HG2 GLU 33 -4.863 -12.983 2.865 108 HG3 GLU 33 HG1 GLU 33 -5.589 -14.243 1.868 109 H ILE 34 HN ILE 34 -4.111 -9.507 0.005 110 HA ILE 34 HA ILE 34 -2.738 -10.012 -2.536 111 HB ILE 34 HB ILE 34 -3.429 -7.298 -1.428 112 HG12 ILE 34 HG12 ILE 34 -5.503 -8.607 -1.608 113 HG13 ILE 34 HG11 ILE 34 -5.447 -7.334 -2.822 114 HG21 ILE 34 HG21 ILE 34 -2.878 -8.243 -4.232 115 HG22 ILE 34 HG22 ILE 34 -1.754 -7.358 -3.202 116 HG23 ILE 34 HG23 ILE 34 -3.244 -6.589 -3.746 117 HD11 ILE 34 HD11 ILE 34 -6.295 -9.256 -3.889 118 HD12 ILE 34 HD12 ILE 34 -5.032 -10.282 -3.210 119 HD13 ILE 34 HD13 ILE 34 -4.628 -9.085 -4.441 120 H HIS 35 HN HIS 35 -0.637 -10.005 -2.637 121 HA HIS 35 HA HIS 35 0.940 -9.227 -0.322 122 HB2 HIS 35 HB2 HIS 35 1.823 -10.519 -2.910 123 HB3 HIS 35 HB1 HIS 35 2.768 -10.378 -1.436 124 HD2 HIS 35 HD2 HIS 35 0.553 -11.569 0.665 125 HE1 HIS 35 HE1 HIS 35 0.656 -14.938 -1.896 126 HE2 HIS 35 HE2 HIS 35 0.004 -14.098 0.403 127 H PHE 36 HN PHE 36 1.393 -7.119 -0.242 128 HA PHE 36 HA PHE 36 2.016 -5.681 -2.719 129 HB2 PHE 36 HB2 PHE 36 0.434 -4.916 -0.709 130 HB3 PHE 36 HB1 PHE 36 1.958 -4.314 -0.067 131 HD1 PHE 36 HD1 PHE 36 3.064 -3.707 -2.939 132 HD2 PHE 36 HD2 PHE 36 -0.524 -2.732 -0.874 133 HE1 PHE 36 HE1 PHE 36 2.825 -1.690 -4.315 134 HE2 PHE 36 HE2 PHE 36 -0.775 -0.710 -2.252 135 HZ PHE 36 HZ PHE 36 0.901 -0.189 -3.981 136 H LYS 37 HN LYS 37 4.103 -6.005 -3.271 137 HA LYS 37 HA LYS 37 6.115 -6.049 -1.145 138 HB2 LYS 37 HB2 LYS 37 7.599 -6.706 -3.224 139 HB3 LYS 37 HB1 LYS 37 6.595 -7.891 -2.406 140 HG2 LYS 37 HG2 LYS 37 4.819 -7.221 -4.184 141 HG3 LYS 37 HG1 LYS 37 6.213 -6.598 -5.067 142 HD2 LYS 37 HD2 LYS 37 5.792 -9.429 -4.105 143 HD3 LYS 37 HD1 LYS 37 5.749 -8.862 -5.776 144 HE2 LYS 37 HE2 LYS 37 8.121 -8.205 -5.577 145 HE3 LYS 37 HE1 LYS 37 8.145 -8.862 -3.942 146 HZ1 LYS 37 HZ1 LYS 37 7.428 -11.025 -4.991 147 HZ2 LYS 37 HZ2 LYS 37 9.012 -10.530 -5.323 148 HZ3 LYS 37 HZ3 LYS 37 7.805 -10.332 -6.489 149 H VAL 38 HN VAL 38 7.102 -4.275 -0.659 150 HA VAL 38 HA VAL 38 7.493 -2.219 -2.739 151 HB VAL 38 HB VAL 38 7.419 -0.537 -1.053 152 HG11 VAL 38 HG11 VAL 38 5.211 -0.820 -0.077 153 HG12 VAL 38 HG12 VAL 38 5.281 -2.554 -0.386 154 HG13 VAL 38 HG13 VAL 38 5.234 -1.420 -1.734 155 HG21 VAL 38 HG21 VAL 38 8.739 -1.741 0.654 156 HG22 VAL 38 HG22 VAL 38 7.317 -2.708 1.044 157 HG23 VAL 38 HG23 VAL 38 7.305 -0.970 1.329 158 H LYS 39 HN LYS 39 9.441 -0.739 -2.068 159 HA LYS 39 HA LYS 39 11.683 -2.434 -1.189 160 HB2 LYS 39 HB2 LYS 39 11.672 -2.168 -3.655 161 HB3 LYS 39 HB1 LYS 39 11.696 -0.425 -3.453 162 HG2 LYS 39 HG2 LYS 39 13.886 -0.709 -2.245 163 HG3 LYS 39 HG1 LYS 39 13.862 -2.387 -2.786 164 HD2 LYS 39 HD2 LYS 39 13.499 -0.175 -4.760 165 HD3 LYS 39 HD1 LYS 39 15.114 -0.595 -4.197 166 HE2 LYS 39 HE2 LYS 39 14.834 -2.864 -4.970 167 HE3 LYS 39 HE1 LYS 39 13.160 -2.537 -5.414 168 HZ1 LYS 39 HZ1 LYS 39 15.528 -1.224 -6.628 169 HZ2 LYS 39 HZ2 LYS 39 13.914 -0.983 -7.082 170 HZ3 LYS 39 HZ3 LYS 39 14.650 -2.485 -7.328 171 H MET 40 HN MET 40 13.483 -1.211 -0.260 172 HA MET 40 HA MET 40 12.518 1.045 1.263 173 HB2 MET 40 HB2 MET 40 14.047 -0.852 2.104 174 HB3 MET 40 HB1 MET 40 15.346 0.022 1.305 175 HG2 MET 40 HG2 MET 40 15.041 0.465 3.765 176 HG3 MET 40 HG1 MET 40 15.113 1.881 2.720 177 HE1 MET 40 HE1 MET 40 11.986 -0.544 3.134 178 HE2 MET 40 HE2 MET 40 11.206 0.204 4.532 179 HE3 MET 40 HE3 MET 40 12.789 -0.548 4.703 180 H THR 41 HN THR 41 12.192 2.257 -0.772 181 HA THR 41 HA THR 41 13.977 4.373 -1.033 182 HB THR 41 HB THR 41 15.160 2.310 -2.299 183 HG1 THR 41 HG1 THR 41 15.869 4.241 -3.804 184 HG21 THR 41 HG21 THR 41 13.854 1.706 -4.070 185 HG22 THR 41 HG22 THR 41 14.705 3.042 -4.844 186 HG23 THR 41 HG23 THR 41 13.068 3.292 -4.200 187 H THR 42 HN THR 42 11.499 2.365 -2.297 188 HA THR 42 HA THR 42 10.473 3.996 -4.324 189 HB THR 42 HB THR 42 8.492 2.377 -2.903 190 HG1 THR 42 HG1 THR 42 10.517 0.812 -4.010 191 HG21 THR 42 HG21 THR 42 9.669 2.606 -5.632 192 HG22 THR 42 HG22 THR 42 7.982 2.751 -5.107 193 HG23 THR 42 HG23 THR 42 8.742 1.161 -5.200 194 H HIS 43 HN HIS 43 9.517 5.919 -4.167 195 HA HIS 43 HA HIS 43 8.743 7.155 -1.768 196 HB2 HIS 43 HB2 HIS 43 7.829 7.703 -4.604 197 HB3 HIS 43 HB1 HIS 43 7.468 8.738 -3.239 198 HD2 HIS 43 HD2 HIS 43 11.072 8.005 -2.687 199 HE1 HIS 43 HE1 HIS 43 10.963 11.221 -5.406 200 HE2 HIS 43 HE2 HIS 43 12.339 10.031 -3.661 201 H LEU 44 HN LEU 44 6.915 6.886 -0.561 202 HA LEU 44 HA LEU 44 5.071 4.856 -1.210 203 HB2 LEU 44 HB2 LEU 44 5.584 6.582 1.015 204 HB3 LEU 44 HB1 LEU 44 3.861 6.553 0.689 205 HG LEU 44 HG LEU 44 5.504 4.046 1.015 206 HD11 LEU 44 HD11 LEU 44 5.633 5.395 3.059 207 HD12 LEU 44 HD12 LEU 44 4.684 3.927 3.295 208 HD13 LEU 44 HD13 LEU 44 3.869 5.480 3.103 209 HD21 LEU 44 HD21 LEU 44 3.229 3.115 1.552 210 HD22 LEU 44 HD22 LEU 44 3.466 3.614 -0.121 211 HD23 LEU 44 HD23 LEU 44 2.553 4.642 0.981 212 H LYS 45 HN LYS 45 5.238 8.072 -2.225 213 HA LYS 45 HA LYS 45 2.547 8.764 -2.555 214 HB2 LYS 45 HB2 LYS 45 4.172 10.465 -2.865 215 HB3 LYS 45 HB1 LYS 45 5.052 9.517 -4.054 216 HG2 LYS 45 HG2 LYS 45 3.976 11.156 -5.308 217 HG3 LYS 45 HG1 LYS 45 2.954 9.732 -5.508 218 HD2 LYS 45 HD2 LYS 45 1.496 10.596 -3.695 219 HD3 LYS 45 HD1 LYS 45 2.486 12.056 -3.643 220 HE2 LYS 45 HE2 LYS 45 1.948 12.457 -6.023 221 HE3 LYS 45 HE1 LYS 45 0.887 11.051 -5.997 222 HZ1 LYS 45 HZ1 LYS 45 0.572 13.575 -4.489 223 HZ2 LYS 45 HZ2 LYS 45 -0.343 12.192 -4.157 224 HZ3 LYS 45 HZ3 LYS 45 -0.456 12.947 -5.671 225 H LYS 46 HN LYS 46 4.805 7.245 -4.851 226 HA LYS 46 HA LYS 46 2.786 6.795 -6.808 227 HB2 LYS 46 HB2 LYS 46 5.199 7.057 -7.346 228 HB3 LYS 46 HB1 LYS 46 5.503 5.498 -6.593 229 HG2 LYS 46 HG2 LYS 46 4.273 4.349 -8.253 230 HG3 LYS 46 HG1 LYS 46 3.602 5.847 -8.890 231 HD2 LYS 46 HD2 LYS 46 6.555 5.403 -8.869 232 HD3 LYS 46 HD1 LYS 46 5.552 4.692 -10.138 233 HE2 LYS 46 HE2 LYS 46 5.080 6.704 -11.077 234 HE3 LYS 46 HE1 LYS 46 5.109 7.557 -9.532 235 HZ1 LYS 46 HZ1 LYS 46 6.977 8.328 -10.641 236 HZ2 LYS 46 HZ2 LYS 46 7.373 6.811 -11.270 237 HZ3 LYS 46 HZ3 LYS 46 7.615 7.131 -9.624 238 H LEU 47 HN LEU 47 3.886 5.064 -4.042 239 HA LEU 47 HA LEU 47 3.213 2.436 -4.710 240 HB2 LEU 47 HB2 LEU 47 3.601 3.980 -2.241 241 HB3 LEU 47 HB1 LEU 47 2.518 2.617 -2.062 242 HG LEU 47 HG LEU 47 4.782 2.012 -1.439 243 HD11 LEU 47 HD11 LEU 47 3.493 0.739 -3.767 244 HD12 LEU 47 HD12 LEU 47 3.764 0.122 -2.140 245 HD13 LEU 47 HD13 LEU 47 5.098 0.190 -3.291 246 HD21 LEU 47 HD21 LEU 47 5.450 2.984 -4.188 247 HD22 LEU 47 HD22 LEU 47 6.482 1.840 -3.330 248 HD23 LEU 47 HD23 LEU 47 6.176 3.438 -2.646 249 H LYS 48 HN LYS 48 1.289 4.975 -3.213 250 HA LYS 48 HA LYS 48 -1.094 3.491 -2.982 251 HB2 LYS 48 HB2 LYS 48 -0.710 6.485 -3.110 252 HB3 LYS 48 HB1 LYS 48 -2.148 5.656 -2.527 253 HG2 LYS 48 HG2 LYS 48 -0.964 4.764 -0.657 254 HG3 LYS 48 HG1 LYS 48 0.578 5.333 -1.294 255 HD2 LYS 48 HD2 LYS 48 -0.118 6.828 0.451 256 HD3 LYS 48 HD1 LYS 48 -0.273 7.666 -1.095 257 HE2 LYS 48 HE2 LYS 48 -2.672 7.156 -1.115 258 HE3 LYS 48 HE1 LYS 48 -2.506 6.343 0.442 259 HZ1 LYS 48 HZ1 LYS 48 -3.332 8.677 0.539 260 HZ2 LYS 48 HZ2 LYS 48 -1.809 9.197 0.007 261 HZ3 LYS 48 HZ3 LYS 48 -1.960 8.381 1.488 262 H GLU 49 HN GLU 49 0.092 5.698 -5.506 263 HA GLU 49 HA GLU 49 -2.358 5.678 -6.955 264 HB2 GLU 49 HB2 GLU 49 -1.299 6.987 -8.568 265 HB3 GLU 49 HB1 GLU 49 -0.490 7.426 -7.072 266 HG2 GLU 49 HG2 GLU 49 1.356 5.910 -7.667 267 HG3 GLU 49 HG1 GLU 49 0.550 5.570 -9.196 268 H SER 50 HN SER 50 0.574 3.718 -7.130 269 HA SER 50 HA SER 50 -0.056 2.441 -9.573 270 HB2 SER 50 HB2 SER 50 1.664 1.480 -7.274 271 HB3 SER 50 HB1 SER 50 1.624 0.754 -8.881 272 HG SER 50 HG SER 50 2.539 3.324 -8.121 273 H TYR 51 HN TYR 51 -0.853 1.728 -6.217 274 HA TYR 51 HA TYR 51 -1.956 -0.829 -6.650 275 HB2 TYR 51 HB2 TYR 51 -1.395 0.045 -4.403 276 HB3 TYR 51 HB1 TYR 51 -2.703 1.213 -4.542 277 HD1 TYR 51 HD1 TYR 51 -2.059 -2.459 -4.563 278 HD2 TYR 51 HD2 TYR 51 -4.826 0.669 -3.764 279 HE1 TYR 51 HE1 TYR 51 -3.621 -4.098 -3.596 280 HE2 TYR 51 HE2 TYR 51 -6.394 -0.954 -2.795 281 HH TYR 51 HH TYR 51 -6.882 -3.285 -2.838 282 H CYS 52 HN CYS 52 -3.321 2.416 -6.750 283 HA CYS 52 HA CYS 52 -6.008 1.685 -7.135 284 HB2 CYS 52 HB2 CYS 52 -4.586 4.181 -8.091 285 HB3 CYS 52 HB1 CYS 52 -6.327 3.983 -7.921 286 HG CYS 52 HG CYS 52 -4.080 3.936 -5.333 287 H GLN 53 HN GLN 53 -3.356 2.251 -9.400 288 HA GLN 53 HA GLN 53 -4.855 2.125 -11.780 289 HB2 GLN 53 HB2 GLN 53 -1.964 1.398 -11.274 290 HB3 GLN 53 HB1 GLN 53 -2.682 1.593 -12.868 291 HG2 GLN 53 HG2 GLN 53 -3.065 3.915 -12.489 292 HG3 GLN 53 HG1 GLN 53 -2.600 3.766 -10.795 293 HE21 GLN 53 HE21 GLN 53 -1.516 5.491 -12.853 294 HE22 GLN 53 HE22 GLN 53 0.173 5.118 -12.957 295 H ARG 54 HN ARG 54 -3.309 -0.362 -9.824 296 HA ARG 54 HA ARG 54 -3.807 -2.485 -11.653 297 HB2 ARG 54 HB2 ARG 54 -2.028 -2.680 -10.028 298 HB3 ARG 54 HB1 ARG 54 -3.167 -2.499 -8.700 299 HG2 ARG 54 HG2 ARG 54 -3.840 -4.646 -8.808 300 HG3 ARG 54 HG1 ARG 54 -3.699 -4.720 -10.564 301 HD2 ARG 54 HD2 ARG 54 -1.372 -5.077 -10.456 302 HD3 ARG 54 HD1 ARG 54 -1.299 -4.613 -8.758 303 HE ARG 54 HE ARG 54 -2.908 -6.749 -8.668 304 HH11 ARG 54 HH11 ARG 54 0.178 -6.231 -10.241 305 HH12 ARG 54 HH12 ARG 54 0.672 -7.886 -10.094 306 HH21 ARG 54 HH21 ARG 54 -2.270 -8.926 -8.489 307 HH22 ARG 54 HH22 ARG 54 -0.720 -9.422 -9.102 308 H GLN 55 HN GLN 55 -5.564 -1.134 -8.919 309 HA GLN 55 HA GLN 55 -7.538 -3.223 -8.919 310 HB2 GLN 55 HB2 GLN 55 -7.563 -0.522 -7.564 311 HB3 GLN 55 HB1 GLN 55 -8.719 -1.813 -7.275 312 HG2 GLN 55 HG2 GLN 55 -5.778 -1.828 -6.652 313 HG3 GLN 55 HG1 GLN 55 -7.117 -1.803 -5.506 314 HE21 GLN 55 HE21 GLN 55 -8.312 -3.684 -5.171 315 HE22 GLN 55 HE22 GLN 55 -7.723 -5.239 -5.644 316 H GLY 56 HN GLY 56 -7.046 -0.373 -10.715 317 HA2 GLY 56 HA2 GLY 56 -8.246 0.295 -12.594 318 HA3 GLY 56 HA1 GLY 56 -9.533 -0.810 -12.135 319 H VAL 57 HN VAL 57 -8.105 1.663 -10.085 320 HA VAL 57 HA VAL 57 -10.557 3.263 -10.313 321 HB VAL 57 HB VAL 57 -10.439 3.636 -7.802 322 HG11 VAL 57 HG11 VAL 57 -11.673 1.567 -7.273 323 HG12 VAL 57 HG12 VAL 57 -11.157 0.890 -8.818 324 HG13 VAL 57 HG13 VAL 57 -12.205 2.306 -8.784 325 HG21 VAL 57 HG21 VAL 57 -8.193 2.739 -7.450 326 HG22 VAL 57 HG22 VAL 57 -8.757 1.135 -7.919 327 HG23 VAL 57 HG23 VAL 57 -9.380 1.897 -6.458 328 HA PRO 58 HA PRO 58 -7.774 6.712 -10.351 329 HB2 PRO 58 HB2 PRO 58 -9.252 8.632 -9.129 330 HB3 PRO 58 HB1 PRO 58 -9.599 8.063 -10.766 331 HG2 PRO 58 HG2 PRO 58 -10.918 7.300 -8.200 332 HG3 PRO 58 HG1 PRO 58 -11.650 7.650 -9.780 333 HD2 PRO 58 HD2 PRO 58 -11.273 5.127 -8.905 334 HD3 PRO 58 HD1 PRO 58 -11.161 5.562 -10.621 335 H MET 59 HN MET 59 -6.475 8.100 -8.969 336 HA MET 59 HA MET 59 -5.795 6.851 -6.499 337 HB2 MET 59 HB2 MET 59 -4.214 8.085 -8.074 338 HB3 MET 59 HB1 MET 59 -4.872 9.575 -7.411 339 HG2 MET 59 HG2 MET 59 -4.161 8.854 -5.164 340 HG3 MET 59 HG1 MET 59 -3.428 7.422 -5.881 341 HE1 MET 59 HE1 MET 59 -1.806 9.412 -4.002 342 HE2 MET 59 HE2 MET 59 -0.293 9.515 -4.905 343 HE3 MET 59 HE3 MET 59 -1.131 7.968 -4.758 344 H ASN 60 HN ASN 60 -5.719 7.910 -4.416 345 HA ASN 60 HA ASN 60 -6.479 9.127 -2.662 346 HB2 ASN 60 HB2 ASN 60 -6.391 11.120 -4.181 347 HB3 ASN 60 HB1 ASN 60 -8.073 10.812 -4.602 348 HD21 ASN 60 HD21 ASN 60 -9.629 11.631 -3.327 349 HD22 ASN 60 HD22 ASN 60 -9.350 12.394 -1.798 350 H SER 61 HN SER 61 -8.452 7.469 -4.826 351 HA SER 61 HA SER 61 -10.944 7.767 -3.484 352 HB2 SER 61 HB2 SER 61 -11.687 5.892 -4.865 353 HB3 SER 61 HB1 SER 61 -10.772 7.039 -5.844 354 HG SER 61 HG SER 61 -9.267 5.586 -6.161 355 H LEU 62 HN LEU 62 -8.202 5.649 -3.134 356 HA LEU 62 HA LEU 62 -9.613 4.152 -1.041 357 HB2 LEU 62 HB2 LEU 62 -7.041 3.414 -2.431 358 HB3 LEU 62 HB1 LEU 62 -7.968 2.411 -1.334 359 HG LEU 62 HG LEU 62 -8.941 3.326 -4.043 360 HD11 LEU 62 HD11 LEU 62 -8.539 1.012 -4.740 361 HD12 LEU 62 HD12 LEU 62 -7.808 0.672 -3.170 362 HD13 LEU 62 HD13 LEU 62 -7.046 1.822 -4.270 363 HD21 LEU 62 HD21 LEU 62 -10.049 1.295 -2.105 364 HD22 LEU 62 HD22 LEU 62 -10.681 1.643 -3.713 365 HD23 LEU 62 HD23 LEU 62 -10.741 2.877 -2.458 366 H ARG 63 HN ARG 63 -8.796 3.999 0.987 367 HA ARG 63 HA ARG 63 -6.514 5.753 1.604 368 HB2 ARG 63 HB2 ARG 63 -7.459 5.986 3.860 369 HB3 ARG 63 HB1 ARG 63 -8.582 6.543 2.629 370 HG2 ARG 63 HG2 ARG 63 -10.011 4.748 2.936 371 HG3 ARG 63 HG1 ARG 63 -8.764 3.756 3.690 372 HD2 ARG 63 HD2 ARG 63 -8.773 5.308 5.625 373 HD3 ARG 63 HD1 ARG 63 -10.113 6.175 4.878 374 HE ARG 63 HE ARG 63 -10.202 3.496 6.052 375 HH11 ARG 63 HH11 ARG 63 -11.854 6.145 4.458 376 HH12 ARG 63 HH12 ARG 63 -13.439 5.560 4.870 377 HH21 ARG 63 HH21 ARG 63 -13.692 3.637 6.093 378 HH22 ARG 63 HH22 ARG 63 -12.299 2.747 6.620 379 H PHE 64 HN PHE 64 -4.826 4.941 2.703 380 HA PHE 64 HA PHE 64 -4.884 2.056 3.255 381 HB2 PHE 64 HB2 PHE 64 -2.518 3.893 2.802 382 HB3 PHE 64 HB1 PHE 64 -2.424 2.158 3.084 383 HD1 PHE 64 HD1 PHE 64 -3.668 4.724 0.722 384 HD2 PHE 64 HD2 PHE 64 -2.654 0.636 1.318 385 HE1 PHE 64 HE1 PHE 64 -3.868 4.328 -1.696 386 HE2 PHE 64 HE2 PHE 64 -2.855 0.234 -1.102 387 HZ PHE 64 HZ PHE 64 -3.460 2.083 -2.610 388 H LEU 65 HN LEU 65 -5.004 1.478 5.305 389 HA LEU 65 HA LEU 65 -4.166 3.414 7.352 390 HB2 LEU 65 HB2 LEU 65 -6.186 1.177 7.444 391 HB3 LEU 65 HB1 LEU 65 -5.629 2.025 8.875 392 HG LEU 65 HG LEU 65 -7.023 3.351 6.547 393 HD11 LEU 65 HD11 LEU 65 -8.098 2.547 9.244 394 HD12 LEU 65 HD12 LEU 65 -8.514 1.807 7.698 395 HD13 LEU 65 HD13 LEU 65 -8.960 3.483 8.025 396 HD21 LEU 65 HD21 LEU 65 -7.303 5.192 8.218 397 HD22 LEU 65 HD22 LEU 65 -5.644 4.923 7.686 398 HD23 LEU 65 HD23 LEU 65 -6.172 4.335 9.261 399 H PHE 66 HN PHE 66 -2.575 2.947 8.658 400 HA PHE 66 HA PHE 66 -1.656 0.169 8.898 401 HB2 PHE 66 HB2 PHE 66 -0.272 1.794 7.342 402 HB3 PHE 66 HB1 PHE 66 0.322 2.425 8.875 403 HD1 PHE 66 HD1 PHE 66 0.271 -0.447 6.619 404 HD2 PHE 66 HD2 PHE 66 1.762 1.100 10.294 405 HE1 PHE 66 HE1 PHE 66 1.918 -2.272 6.714 406 HE2 PHE 66 HE2 PHE 66 3.409 -0.720 10.396 407 HZ PHE 66 HZ PHE 66 3.491 -2.407 8.605 408 H GLU 67 HN GLU 67 -2.171 -0.282 10.925 409 HA GLU 67 HA GLU 67 -2.243 -0.252 13.186 410 HB2 GLU 67 HB2 GLU 67 0.065 1.611 12.700 411 HB3 GLU 67 HB1 GLU 67 -0.524 1.319 14.331 412 HG2 GLU 67 HG2 GLU 67 0.391 -0.825 12.437 413 HG3 GLU 67 HG1 GLU 67 1.389 -0.097 13.694 414 H GLY 68 HN GLY 68 -4.009 1.441 11.672 415 HA2 GLY 68 HA2 GLY 68 -5.808 2.708 12.524 416 HA3 GLY 68 HA1 GLY 68 -4.787 3.220 13.858 417 H GLN 69 HN GLN 69 -2.574 3.963 12.054 418 HA GLN 69 HA GLN 69 -3.521 6.630 11.448 419 HB2 GLN 69 HB2 GLN 69 -0.803 5.329 11.289 420 HB3 GLN 69 HB1 GLN 69 -1.104 6.979 10.764 421 HG2 GLN 69 HG2 GLN 69 -1.943 7.466 13.070 422 HG3 GLN 69 HG1 GLN 69 -1.375 5.865 13.542 423 HE21 GLN 69 HE21 GLN 69 -0.536 8.526 14.436 424 HE22 GLN 69 HE22 GLN 69 1.166 8.606 14.141 425 H ARG 70 HN ARG 70 -3.553 7.586 9.412 426 HA ARG 70 HA ARG 70 -3.781 5.668 7.228 427 HB2 ARG 70 HB2 ARG 70 -4.702 7.673 5.958 428 HB3 ARG 70 HB1 ARG 70 -5.670 7.072 7.293 429 HG2 ARG 70 HG2 ARG 70 -4.846 8.873 8.714 430 HG3 ARG 70 HG1 ARG 70 -3.857 9.474 7.379 431 HD2 ARG 70 HD2 ARG 70 -6.865 9.224 7.350 432 HD3 ARG 70 HD1 ARG 70 -5.972 10.718 7.628 433 HE ARG 70 HE ARG 70 -5.048 10.386 5.336 434 HH11 ARG 70 HH11 ARG 70 -8.731 8.940 4.584 435 HH12 ARG 70 HH12 ARG 70 -8.135 8.968 6.219 436 HH21 ARG 70 HH21 ARG 70 -7.407 9.705 2.873 437 HH22 ARG 70 HH22 ARG 70 -5.818 10.323 3.199 438 H ILE 71 HN ILE 71 -2.510 5.614 5.494 439 HA ILE 71 HA ILE 71 0.087 6.767 5.703 440 HB ILE 71 HB ILE 71 -1.170 5.284 3.393 441 HG12 ILE 71 HG12 ILE 71 -1.148 3.941 5.432 442 HG13 ILE 71 HG11 ILE 71 0.044 3.327 4.291 443 HG21 ILE 71 HG21 ILE 71 1.112 4.859 2.655 444 HG22 ILE 71 HG22 ILE 71 1.733 5.828 3.989 445 HG23 ILE 71 HG23 ILE 71 0.782 6.588 2.714 446 HD11 ILE 71 HD11 ILE 71 0.536 4.952 6.770 447 HD12 ILE 71 HD12 ILE 71 1.778 4.603 5.567 448 HD13 ILE 71 HD13 ILE 71 1.015 3.284 6.454 449 H ALA 72 HN ALA 72 0.808 8.616 4.967 450 HA ALA 72 HA ALA 72 -0.922 10.338 3.400 451 HB1 ALA 72 HB1 ALA 72 0.720 12.064 3.849 452 HB2 ALA 72 HB2 ALA 72 1.841 10.870 4.500 453 HB3 ALA 72 HB3 ALA 72 0.331 11.213 5.345 454 H ASP 73 HN ASP 73 0.166 11.603 1.583 455 HA ASP 73 HA ASP 73 1.107 9.699 -0.338 456 HB2 ASP 73 HB2 ASP 73 0.437 12.612 -0.394 457 HB3 ASP 73 HB1 ASP 73 1.392 11.937 -1.710 458 H ASN 74 HN ASN 74 2.563 12.117 1.693 459 HA ASN 74 HA ASN 74 5.149 11.696 0.381 460 HB2 ASN 74 HB2 ASN 74 5.929 13.672 1.546 461 HB3 ASN 74 HB1 ASN 74 4.422 14.044 0.721 462 HD21 ASN 74 HD21 ASN 74 5.907 15.060 3.184 463 HD22 ASN 74 HD22 ASN 74 4.670 15.159 4.392 464 H HIS 75 HN HIS 75 4.016 9.625 1.982 465 HA HIS 75 HA HIS 75 5.453 9.697 4.507 466 HB2 HIS 75 HB2 HIS 75 3.263 8.131 3.371 467 HB3 HIS 75 HB1 HIS 75 4.428 7.145 4.246 468 HD2 HIS 75 HD2 HIS 75 4.459 10.327 6.113 469 HE1 HIS 75 HE1 HIS 75 1.251 8.108 7.752 470 HE2 HIS 75 HE2 HIS 75 2.780 10.100 8.081 471 H THR 76 HN THR 76 6.932 8.011 5.126 472 HA THR 76 HA THR 76 8.436 6.915 2.838 473 HB THR 76 HB THR 76 9.843 7.170 5.420 474 HG1 THR 76 HG1 THR 76 8.604 9.128 5.381 475 HG21 THR 76 HG21 THR 76 10.504 7.960 2.578 476 HG22 THR 76 HG22 THR 76 11.005 6.480 3.398 477 HG23 THR 76 HG23 THR 76 11.622 8.043 3.939 478 HA PRO 77 HA PRO 77 7.405 2.885 4.445 479 HB2 PRO 77 HB2 PRO 77 9.939 1.988 3.215 480 HB3 PRO 77 HB1 PRO 77 8.283 1.452 2.901 481 HG2 PRO 77 HG2 PRO 77 9.583 2.950 1.126 482 HG3 PRO 77 HG1 PRO 77 7.845 3.160 1.420 483 HD2 PRO 77 HD2 PRO 77 10.134 4.821 2.389 484 HD3 PRO 77 HD1 PRO 77 8.540 5.328 1.792 485 H LYS 78 HN LYS 78 10.262 4.583 5.253 486 HA LYS 78 HA LYS 78 11.221 2.547 7.085 487 HB2 LYS 78 HB2 LYS 78 12.794 3.948 5.756 488 HB3 LYS 78 HB1 LYS 78 12.240 5.357 6.644 489 HG2 LYS 78 HG2 LYS 78 14.380 4.499 7.474 490 HG3 LYS 78 HG1 LYS 78 13.119 4.460 8.705 491 HD2 LYS 78 HD2 LYS 78 14.433 2.417 8.779 492 HD3 LYS 78 HD1 LYS 78 12.782 2.062 8.267 493 HE2 LYS 78 HE2 LYS 78 13.553 2.039 5.921 494 HE3 LYS 78 HE1 LYS 78 15.200 2.328 6.481 495 HZ1 LYS 78 HZ1 LYS 78 13.637 0.004 7.427 496 HZ2 LYS 78 HZ2 LYS 78 15.310 0.228 7.449 497 HZ3 LYS 78 HZ3 LYS 78 14.520 -0.059 5.984 498 H GLU 79 HN GLU 79 9.268 5.413 7.155 499 HA GLU 79 HA GLU 79 9.515 5.666 10.038 500 HB2 GLU 79 HB2 GLU 79 8.124 7.608 9.866 501 HB3 GLU 79 HB1 GLU 79 9.317 7.682 8.582 502 HG2 GLU 79 HG2 GLU 79 7.630 6.860 6.997 503 HG3 GLU 79 HG1 GLU 79 6.435 6.871 8.294 504 H LEU 80 HN LEU 80 7.340 5.933 11.237 505 HA LEU 80 HA LEU 80 5.393 5.075 12.021 506 HB2 LEU 80 HB2 LEU 80 4.976 5.052 9.304 507 HB3 LEU 80 HB1 LEU 80 4.690 3.378 9.741 508 HG LEU 80 HG LEU 80 3.311 5.693 11.101 509 HD11 LEU 80 HD11 LEU 80 2.717 5.733 8.758 510 HD12 LEU 80 HD12 LEU 80 1.363 5.128 9.710 511 HD13 LEU 80 HD13 LEU 80 2.365 4.006 8.791 512 HD21 LEU 80 HD21 LEU 80 1.706 3.912 11.746 513 HD22 LEU 80 HD22 LEU 80 3.316 3.696 12.430 514 HD23 LEU 80 HD23 LEU 80 2.807 2.722 11.052 515 H GLY 81 HN GLY 81 7.221 2.710 10.098 516 HA2 GLY 81 HA2 GLY 81 8.430 0.990 11.371 517 HA3 GLY 81 HA1 GLY 81 7.013 0.868 12.401 518 H MET 82 HN MET 82 8.040 0.460 9.023 519 HA MET 82 HA MET 82 5.931 -1.555 8.692 520 HB2 MET 82 HB2 MET 82 7.556 0.039 6.719 521 HB3 MET 82 HB1 MET 82 6.627 -1.369 6.229 522 HG2 MET 82 HG2 MET 82 4.597 -0.264 7.166 523 HG3 MET 82 HG1 MET 82 5.578 1.179 7.424 524 HE1 MET 82 HE1 MET 82 2.836 0.972 5.634 525 HE2 MET 82 HE2 MET 82 3.294 2.086 4.347 526 HE3 MET 82 HE3 MET 82 3.698 2.459 6.022 527 H GLU 83 HN GLU 83 6.449 -3.622 8.814 528 HA GLU 83 HA GLU 83 9.233 -4.412 8.233 529 HB2 GLU 83 HB2 GLU 83 7.326 -5.358 10.353 530 HB3 GLU 83 HB1 GLU 83 8.672 -6.360 9.830 531 HG2 GLU 83 HG2 GLU 83 9.077 -3.542 10.765 532 HG3 GLU 83 HG1 GLU 83 9.006 -4.897 11.890 533 H GLU 84 HN GLU 84 9.257 -6.943 7.884 534 HA GLU 84 HA GLU 84 7.741 -7.425 5.512 535 HB2 GLU 84 HB2 GLU 84 9.979 -8.284 5.643 536 HB3 GLU 84 HB1 GLU 84 9.627 -9.138 7.138 537 HG2 GLU 84 HG2 GLU 84 9.754 -10.696 5.317 538 HG3 GLU 84 HG1 GLU 84 8.098 -10.615 5.915 539 H GLU 85 HN GLU 85 6.000 -8.723 5.184 540 HA GLU 85 HA GLU 85 4.153 -9.967 5.582 541 HB2 GLU 85 HB2 GLU 85 5.747 -10.851 7.986 542 HB3 GLU 85 HB1 GLU 85 4.149 -11.482 7.622 543 HG2 GLU 85 HG2 GLU 85 6.248 -11.591 5.518 544 HG3 GLU 85 HG1 GLU 85 6.320 -12.734 6.857 545 H ASP 86 HN ASP 86 4.505 -7.220 6.596 546 HA ASP 86 HA ASP 86 3.031 -7.056 9.053 547 HB2 ASP 86 HB2 ASP 86 4.629 -5.299 7.559 548 HB3 ASP 86 HB1 ASP 86 3.016 -4.590 7.544 549 H VAL 87 HN VAL 87 0.987 -5.817 9.214 550 HA VAL 87 HA VAL 87 -0.834 -6.688 7.080 551 HB VAL 87 HB VAL 87 -1.476 -5.883 9.923 552 HG11 VAL 87 HG11 VAL 87 -3.311 -5.484 8.324 553 HG12 VAL 87 HG12 VAL 87 -3.694 -6.748 9.494 554 HG13 VAL 87 HG13 VAL 87 -3.235 -7.179 7.846 555 HG21 VAL 87 HG21 VAL 87 -1.390 -8.626 8.670 556 HG22 VAL 87 HG22 VAL 87 -1.838 -8.250 10.334 557 HG23 VAL 87 HG23 VAL 87 -0.186 -7.971 9.780 558 H ILE 88 HN ILE 88 -1.835 -5.268 5.823 559 HA ILE 88 HA ILE 88 -2.089 -2.483 6.728 560 HB ILE 88 HB ILE 88 -0.180 -2.533 5.221 561 HG12 ILE 88 HG12 ILE 88 -2.577 -1.363 3.789 562 HG13 ILE 88 HG11 ILE 88 -1.761 -0.605 5.153 563 HG21 ILE 88 HG21 ILE 88 -2.051 -3.788 3.220 564 HG22 ILE 88 HG22 ILE 88 -0.653 -4.546 3.981 565 HG23 ILE 88 HG23 ILE 88 -0.427 -3.201 2.860 566 HD11 ILE 88 HD11 ILE 88 -1.040 0.384 3.072 567 HD12 ILE 88 HD12 ILE 88 -0.551 -1.197 2.460 568 HD13 ILE 88 HD13 ILE 88 0.299 -0.478 3.829 569 H GLU 89 HN GLU 89 -4.017 -1.521 6.233 570 HA GLU 89 HA GLU 89 -5.950 -3.189 4.754 571 HB2 GLU 89 HB2 GLU 89 -6.634 -1.157 6.878 572 HB3 GLU 89 HB1 GLU 89 -7.689 -2.376 6.176 573 HG2 GLU 89 HG2 GLU 89 -6.364 -4.137 7.226 574 HG3 GLU 89 HG1 GLU 89 -5.306 -2.917 7.932 575 H VAL 90 HN VAL 90 -7.233 -2.250 3.220 576 HA VAL 90 HA VAL 90 -6.948 0.625 2.766 577 HB VAL 90 HB VAL 90 -5.326 -0.367 1.268 578 HG11 VAL 90 HG11 VAL 90 -7.582 -2.039 0.179 579 HG12 VAL 90 HG12 VAL 90 -6.234 -2.625 1.156 580 HG13 VAL 90 HG13 VAL 90 -5.939 -1.971 -0.457 581 HG21 VAL 90 HG21 VAL 90 -6.171 0.442 -0.885 582 HG22 VAL 90 HG22 VAL 90 -6.558 1.550 0.434 583 HG23 VAL 90 HG23 VAL 90 -7.806 0.486 -0.217 584 H TYR 91 HN TYR 91 -8.838 1.559 2.510 585 HA TYR 91 HA TYR 91 -11.087 0.023 1.408 586 HB2 TYR 91 HB2 TYR 91 -11.086 1.699 3.927 587 HB3 TYR 91 HB1 TYR 91 -12.560 1.205 3.100 588 HD1 TYR 91 HD1 TYR 91 -12.717 -1.404 2.633 589 HD2 TYR 91 HD2 TYR 91 -10.314 0.368 5.659 590 HE1 TYR 91 HE1 TYR 91 -12.708 -3.533 3.861 591 HE2 TYR 91 HE2 TYR 91 -10.294 -1.755 6.895 592 HH TYR 91 HH TYR 91 -11.522 -4.700 5.519 593 H GLN 92 HN GLN 92 -12.935 1.563 0.804 594 HA GLN 92 HA GLN 92 -11.767 3.698 -0.760 595 HB2 GLN 92 HB2 GLN 92 -13.609 2.121 -1.557 596 HB3 GLN 92 HB1 GLN 92 -14.703 3.050 -0.543 597 HG2 GLN 92 HG2 GLN 92 -13.941 5.094 -1.807 598 HG3 GLN 92 HG1 GLN 92 -13.149 3.992 -2.932 599 HE21 GLN 92 HE21 GLN 92 -16.184 5.158 -1.715 600 HE22 GLN 92 HE22 GLN 92 -17.174 4.505 -2.972 601 H GLU 93 HN GLU 93 -12.084 5.854 -0.535 602 HA GLU 93 HA GLU 93 -12.839 6.788 2.091 603 HB2 GLU 93 HB2 GLU 93 -11.698 8.093 -0.366 604 HB3 GLU 93 HB1 GLU 93 -12.260 9.054 0.995 605 HG2 GLU 93 HG2 GLU 93 -10.223 6.865 1.275 606 HG3 GLU 93 HG1 GLU 93 -9.796 8.540 0.933 607 H GLN 94 HN GLN 94 -14.243 8.728 2.295 608 HA GLN 94 HA GLN 94 -16.823 8.210 1.258 609 HB2 GLN 94 HB2 GLN 94 -16.197 9.338 3.451 610 HB3 GLN 94 HB1 GLN 94 -15.894 10.790 2.513 611 HG2 GLN 94 HG2 GLN 94 -18.261 10.645 1.702 612 HG3 GLN 94 HG1 GLN 94 -18.507 9.355 2.880 613 HE21 GLN 94 HE21 GLN 94 -20.000 10.509 4.079 614 HE22 GLN 94 HE22 GLN 94 -19.562 11.872 5.047 615 H THR 95 HN THR 95 -14.219 10.293 0.284 616 HA THR 95 HA THR 95 -15.606 12.083 -1.372 617 HB THR 95 HB THR 95 -12.833 11.210 -2.062 618 HG1 THR 95 HG1 THR 95 -13.627 12.580 0.318 619 HG21 THR 95 HG21 THR 95 -13.933 13.081 -3.252 620 HG22 THR 95 HG22 THR 95 -12.497 13.598 -2.366 621 HG23 THR 95 HG23 THR 95 -14.104 13.932 -1.716 622 H GLY 96 HN GLY 96 -14.585 8.790 -1.887 623 HA2 GLY 96 HA2 GLY 96 -15.290 7.341 -3.560 624 HA3 GLY 96 HA1 GLY 96 -16.056 8.695 -4.377 625 H GLY 97 HN GLY 97 -13.933 10.407 -4.724 626 HA2 GLY 97 HA2 GLY 97 -12.032 8.822 -6.337 627 HA3 GLY 97 HA1 GLY 97 -12.801 10.267 -6.977 628 H1 ASP 195 HN ASP 195 -7.280 -20.299 -4.758 629 HA ASP 195 HA ASP 195 -8.918 -19.103 -2.978 630 HB2 ASP 195 HB2 ASP 195 -6.989 -20.143 -1.404 631 HB3 ASP 195 HB1 ASP 195 -6.272 -18.572 -1.751 632 H THR 196 HN THR 196 -7.420 -16.703 -2.312 633 HA THR 196 HA THR 196 -6.703 -15.909 -5.059 634 HB THR 196 HB THR 196 -7.726 -13.989 -2.995 635 HG1 THR 196 HG1 THR 196 -9.683 -14.733 -3.267 636 HG21 THR 196 HG21 THR 196 -8.372 -12.703 -4.984 637 HG22 THR 196 HG22 THR 196 -7.733 -13.982 -6.015 638 HG23 THR 196 HG23 THR 196 -6.644 -13.060 -4.982 639 H ALA 197 HN ALA 197 -4.682 -15.368 -5.350 640 HA ALA 197 HA ALA 197 -3.226 -14.006 -3.189 641 HB1 ALA 197 HB1 ALA 197 -1.173 -15.169 -3.885 642 HB2 ALA 197 HB2 ALA 197 -2.103 -16.102 -5.059 643 HB3 ALA 197 HB3 ALA 197 -2.399 -16.307 -3.332 644 H GLY 198 HN GLY 198 -2.595 -12.068 -3.829 645 HA2 GLY 198 HA2 GLY 198 -2.133 -11.649 -6.716 646 HA3 GLY 198 HA1 GLY 198 -2.951 -10.459 -5.705 647 H CYS 199 HN CYS 199 -0.136 -10.823 -7.215 648 HA CYS 199 HA CYS 199 1.314 -9.569 -4.967 649 HB2 CYS 199 HB2 CYS 199 2.586 -11.051 -7.274 650 HB3 CYS 199 HB1 CYS 199 3.383 -10.449 -5.826 651 HG CYS 199 HG CYS 199 1.757 -12.242 -4.180 652 H ILE 200 HN ILE 200 1.795 -7.513 -5.250 653 HA ILE 200 HA ILE 200 1.943 -6.478 -8.003 654 HB ILE 200 HB ILE 200 -0.098 -5.649 -7.227 655 HG12 ILE 200 HG12 ILE 200 1.968 -3.524 -6.636 656 HG13 ILE 200 HG11 ILE 200 1.242 -3.872 -8.202 657 HG21 ILE 200 HG21 ILE 200 1.137 -4.816 -4.611 658 HG22 ILE 200 HG22 ILE 200 0.242 -6.316 -4.858 659 HG23 ILE 200 HG23 ILE 200 -0.568 -4.764 -5.065 660 HD11 ILE 200 HD11 ILE 200 -0.012 -2.617 -5.789 661 HD12 ILE 200 HD12 ILE 200 -0.987 -3.310 -7.090 662 HD13 ILE 200 HD13 ILE 200 0.120 -1.977 -7.434 663 H VAL 201 HN VAL 201 3.752 -5.424 -8.511 664 HA VAL 201 HA VAL 201 5.444 -4.456 -6.318 665 HB VAL 201 HB VAL 201 6.290 -6.550 -7.483 666 HG11 VAL 201 HG11 VAL 201 7.531 -6.166 -9.592 667 HG12 VAL 201 HG12 VAL 201 6.774 -4.576 -9.704 668 HG13 VAL 201 HG13 VAL 201 5.783 -6.034 -9.760 669 HG21 VAL 201 HG21 VAL 201 7.929 -4.045 -7.230 670 HG22 VAL 201 HG22 VAL 201 8.649 -5.613 -7.596 671 HG23 VAL 201 HG23 VAL 201 7.769 -5.376 -6.086 672 H ILE 202 HN ILE 202 6.208 -2.462 -6.457 673 HA ILE 202 HA ILE 202 5.745 -0.942 -8.927 674 HB ILE 202 HB ILE 202 4.450 0.532 -7.856 675 HG12 ILE 202 HG12 ILE 202 5.516 1.367 -5.472 676 HG13 ILE 202 HG11 ILE 202 6.952 0.887 -6.355 677 HG21 ILE 202 HG21 ILE 202 4.923 -1.142 -5.392 678 HG22 ILE 202 HG22 ILE 202 3.621 -1.340 -6.571 679 HG23 ILE 202 HG23 ILE 202 3.679 0.099 -5.544 680 HD11 ILE 202 HD11 ILE 202 6.321 3.277 -6.487 681 HD12 ILE 202 HD12 ILE 202 4.897 2.796 -7.409 682 HD13 ILE 202 HD13 ILE 202 6.508 2.478 -8.050 683 H SEP 203 HN SEP 203 7.472 0.319 -9.677 684 HA SEP 203 HA SEP 203 9.800 0.301 -7.873 685 HB2 SEP 203 HB1 SEP 203 9.915 0.505 -10.880 686 HB3 SEP 203 HB2 SEP 203 9.951 -1.039 -10.037 687 H ASP 204 HN ASP 204 10.191 2.104 -7.062 688 HA ASP 204 HA ASP 204 10.058 4.537 -8.633 689 HB2 ASP 204 HB2 ASP 204 8.021 4.080 -7.023 690 HB3 ASP 204 HB1 ASP 204 9.112 4.729 -5.837 691 H SEP 205 HN SEP 205 11.696 5.959 -8.201 692 HA SEP 205 HA SEP 205 13.542 5.173 -6.040 693 HB2 SEP 205 HB1 SEP 205 14.354 6.485 -8.554 694 HB3 SEP 205 HB2 SEP 205 14.144 4.728 -8.481 695 H GLU 206 HN GLU 206 14.235 6.761 -4.718 696 HA GLU 206 HA GLU 206 13.111 9.351 -4.815 697 HB2 GLU 206 HB2 GLU 206 13.747 8.535 -2.685 698 HB3 GLU 206 HB1 GLU 206 15.358 8.127 -3.247 699 HG2 GLU 206 HG2 GLU 206 15.538 10.034 -1.858 700 HG3 GLU 206 HG1 GLU 206 15.828 10.548 -3.517 Start of MODEL 16 1 H1 TYR 21 HN TYR 21 13.708 -6.112 0.419 2 HA TYR 21 HA TYR 21 11.780 -4.803 -1.069 3 HB2 TYR 21 HB2 TYR 21 12.056 -7.718 -1.820 4 HB3 TYR 21 HB1 TYR 21 10.604 -6.770 -2.117 5 HD1 TYR 21 HD1 TYR 21 10.575 -5.052 -3.842 6 HD2 TYR 21 HD2 TYR 21 14.078 -7.349 -3.107 7 HE1 TYR 21 HE1 TYR 21 11.518 -4.288 -5.982 8 HE2 TYR 21 HE2 TYR 21 15.032 -6.592 -5.241 9 HH TYR 21 HH TYR 21 13.533 -4.075 -7.152 10 H ILE 22 HN ILE 22 10.220 -4.485 0.341 11 HA ILE 22 HA ILE 22 9.875 -6.375 2.557 12 HB ILE 22 HB ILE 22 8.655 -3.625 2.236 13 HG12 ILE 22 HG12 ILE 22 11.068 -3.391 2.309 14 HG13 ILE 22 HG11 ILE 22 10.388 -2.875 3.848 15 HG21 ILE 22 HG21 ILE 22 8.885 -5.481 4.594 16 HG22 ILE 22 HG22 ILE 22 7.409 -4.978 3.768 17 HG23 ILE 22 HG23 ILE 22 8.345 -3.805 4.695 18 HD11 ILE 22 HD11 ILE 22 11.788 -5.470 3.257 19 HD12 ILE 22 HD12 ILE 22 10.972 -5.101 4.776 20 HD13 ILE 22 HD13 ILE 22 12.362 -4.142 4.267 21 H LYS 23 HN LYS 23 8.223 -7.757 2.546 22 HA LYS 23 HA LYS 23 6.135 -7.391 0.520 23 HB2 LYS 23 HB2 LYS 23 7.539 -9.549 0.886 24 HB3 LYS 23 HB1 LYS 23 6.454 -9.826 2.241 25 HG2 LYS 23 HG2 LYS 23 4.546 -9.824 0.757 26 HG3 LYS 23 HG1 LYS 23 5.589 -9.449 -0.617 27 HD2 LYS 23 HD2 LYS 23 5.193 -11.779 -0.714 28 HD3 LYS 23 HD1 LYS 23 6.831 -11.589 -0.093 29 HE2 LYS 23 HE2 LYS 23 4.560 -11.798 1.826 30 HE3 LYS 23 HE1 LYS 23 5.149 -13.255 1.034 31 HZ1 LYS 23 HZ1 LYS 23 7.124 -13.168 2.137 32 HZ2 LYS 23 HZ2 LYS 23 6.126 -12.449 3.306 33 HZ3 LYS 23 HZ3 LYS 23 7.108 -11.484 2.313 34 H LEU 24 HN LEU 24 4.446 -6.276 1.189 35 HA LEU 24 HA LEU 24 3.505 -6.592 3.950 36 HB2 LEU 24 HB2 LEU 24 2.792 -4.539 1.851 37 HB3 LEU 24 HB1 LEU 24 2.116 -4.593 3.468 38 HG LEU 24 HG LEU 24 4.739 -4.490 4.082 39 HD11 LEU 24 HD11 LEU 24 4.466 -2.897 1.539 40 HD12 LEU 24 HD12 LEU 24 5.430 -4.361 1.739 41 HD13 LEU 24 HD13 LEU 24 5.855 -2.897 2.628 42 HD21 LEU 24 HD21 LEU 24 4.398 -2.042 4.374 43 HD22 LEU 24 HD22 LEU 24 3.095 -3.033 5.028 44 HD23 LEU 24 HD23 LEU 24 2.878 -2.196 3.491 45 H LYS 25 HN LYS 25 1.483 -7.363 4.404 46 HA LYS 25 HA LYS 25 0.142 -8.709 2.182 47 HB2 LYS 25 HB2 LYS 25 -0.196 -9.025 5.170 48 HB3 LYS 25 HB1 LYS 25 -1.046 -9.964 3.951 49 HG2 LYS 25 HG2 LYS 25 1.202 -10.739 3.130 50 HG3 LYS 25 HG1 LYS 25 1.897 -9.977 4.562 51 HD2 LYS 25 HD2 LYS 25 1.553 -12.331 4.987 52 HD3 LYS 25 HD1 LYS 25 0.437 -11.387 5.973 53 HE2 LYS 25 HE2 LYS 25 -1.389 -11.879 4.532 54 HE3 LYS 25 HE1 LYS 25 -0.319 -12.566 3.311 55 HZ1 LYS 25 HZ1 LYS 25 -0.770 -13.703 6.016 56 HZ2 LYS 25 HZ2 LYS 25 0.181 -14.381 4.791 57 HZ3 LYS 25 HZ3 LYS 25 -1.498 -14.259 4.590 58 H VAL 26 HN VAL 26 -1.334 -7.513 1.217 59 HA VAL 26 HA VAL 26 -2.956 -5.641 2.766 60 HB VAL 26 HB VAL 26 -3.328 -6.108 -0.172 61 HG11 VAL 26 HG11 VAL 26 -4.830 -4.621 1.177 62 HG12 VAL 26 HG12 VAL 26 -4.059 -3.849 -0.207 63 HG13 VAL 26 HG13 VAL 26 -3.443 -3.557 1.418 64 HG21 VAL 26 HG21 VAL 26 -1.124 -4.453 1.055 65 HG22 VAL 26 HG22 VAL 26 -1.597 -4.409 -0.644 66 HG23 VAL 26 HG23 VAL 26 -0.929 -5.887 0.047 67 H ILE 27 HN ILE 27 -4.563 -6.629 3.823 68 HA ILE 27 HA ILE 27 -5.939 -8.881 2.577 69 HB ILE 27 HB ILE 27 -6.296 -7.752 5.358 70 HG12 ILE 27 HG12 ILE 27 -4.012 -8.617 4.990 71 HG13 ILE 27 HG11 ILE 27 -4.912 -9.604 6.134 72 HG21 ILE 27 HG21 ILE 27 -7.382 -9.908 5.833 73 HG22 ILE 27 HG22 ILE 27 -7.209 -10.354 4.135 74 HG23 ILE 27 HG23 ILE 27 -8.232 -8.992 4.587 75 HD11 ILE 27 HD11 ILE 27 -4.445 -10.262 3.234 76 HD12 ILE 27 HD12 ILE 27 -5.318 -11.259 4.397 77 HD13 ILE 27 HD13 ILE 27 -3.592 -10.965 4.607 78 H GLY 28 HN GLY 28 -7.570 -8.395 1.288 79 HA2 GLY 28 HA2 GLY 28 -9.000 -5.907 1.501 80 HA3 GLY 28 HA1 GLY 28 -9.323 -7.201 0.355 81 H GLN 29 HN GLN 29 -11.365 -5.804 1.597 82 HA GLN 29 HA GLN 29 -12.383 -6.942 3.940 83 HB2 GLN 29 HB2 GLN 29 -13.172 -4.830 2.893 84 HB3 GLN 29 HB1 GLN 29 -13.952 -5.776 1.635 85 HG2 GLN 29 HG2 GLN 29 -15.691 -5.330 3.064 86 HG3 GLN 29 HG1 GLN 29 -15.177 -6.924 3.606 87 HE21 GLN 29 HE21 GLN 29 -14.307 -7.162 5.619 88 HE22 GLN 29 HE22 GLN 29 -14.257 -5.889 6.788 89 H ASP 30 HN ASP 30 -12.294 -8.186 0.720 90 HA ASP 30 HA ASP 30 -14.390 -10.133 1.256 91 HB2 ASP 30 HB2 ASP 30 -14.217 -10.778 -1.036 92 HB3 ASP 30 HB1 ASP 30 -14.125 -9.022 -1.003 93 H SER 31 HN SER 31 -11.594 -9.905 2.502 94 HA SER 31 HA SER 31 -10.078 -11.280 3.439 95 HB2 SER 31 HB2 SER 31 -11.943 -13.464 2.483 96 HB3 SER 31 HB1 SER 31 -10.602 -13.696 3.605 97 HG SER 31 HG SER 31 -12.939 -12.131 3.979 98 H SER 32 HN SER 32 -9.361 -10.281 1.068 99 HA SER 32 HA SER 32 -8.219 -12.478 -0.497 100 HB2 SER 32 HB2 SER 32 -7.520 -10.369 -1.940 101 HB3 SER 32 HB1 SER 32 -9.165 -11.001 -2.016 102 HG SER 32 HG SER 32 -9.894 -9.246 -1.092 103 H GLU 33 HN GLU 33 -6.040 -12.827 -0.606 104 HA GLU 33 HA GLU 33 -4.379 -11.224 1.205 105 HB2 GLU 33 HB2 GLU 33 -4.069 -14.035 0.150 106 HB3 GLU 33 HB1 GLU 33 -2.773 -13.188 0.981 107 HG2 GLU 33 HG2 GLU 33 -4.353 -12.906 2.920 108 HG3 GLU 33 HG1 GLU 33 -5.438 -14.019 2.088 109 H ILE 34 HN ILE 34 -3.784 -9.529 -0.096 110 HA ILE 34 HA ILE 34 -2.553 -10.131 -2.683 111 HB ILE 34 HB ILE 34 -2.988 -7.397 -1.495 112 HG12 ILE 34 HG12 ILE 34 -5.150 -8.565 -1.588 113 HG13 ILE 34 HG11 ILE 34 -5.076 -7.267 -2.772 114 HG21 ILE 34 HG21 ILE 34 -2.453 -8.407 -4.273 115 HG22 ILE 34 HG22 ILE 34 -1.473 -7.308 -3.301 116 HG23 ILE 34 HG23 ILE 34 -3.028 -6.774 -3.938 117 HD11 ILE 34 HD11 ILE 34 -4.720 -10.202 -3.331 118 HD12 ILE 34 HD12 ILE 34 -4.617 -8.909 -4.526 119 HD13 ILE 34 HD13 ILE 34 -6.143 -9.228 -3.701 120 H HIS 35 HN HIS 35 -0.419 -10.209 -2.930 121 HA HIS 35 HA HIS 35 1.263 -9.466 -0.653 122 HB2 HIS 35 HB2 HIS 35 2.031 -11.023 -3.131 123 HB3 HIS 35 HB1 HIS 35 2.980 -10.850 -1.658 124 HD2 HIS 35 HD2 HIS 35 0.879 -11.721 0.585 125 HE1 HIS 35 HE1 HIS 35 0.263 -15.155 -1.814 126 HE2 HIS 35 HE2 HIS 35 -0.046 -14.146 0.490 127 H PHE 36 HN PHE 36 1.801 -7.388 -0.729 128 HA PHE 36 HA PHE 36 2.677 -6.241 -3.294 129 HB2 PHE 36 HB2 PHE 36 0.809 -5.241 -1.651 130 HB3 PHE 36 HB1 PHE 36 2.230 -4.526 -0.898 131 HD1 PHE 36 HD1 PHE 36 3.852 -4.083 -3.401 132 HD2 PHE 36 HD2 PHE 36 -0.238 -3.340 -2.503 133 HE1 PHE 36 HE1 PHE 36 3.809 -2.295 -5.085 134 HE2 PHE 36 HE2 PHE 36 -0.289 -1.549 -4.186 135 HZ PHE 36 HZ PHE 36 1.739 -1.024 -5.482 136 H LYS 37 HN LYS 37 4.830 -6.289 -3.539 137 HA LYS 37 HA LYS 37 6.484 -6.039 -1.125 138 HB2 LYS 37 HB2 LYS 37 8.326 -6.998 -2.465 139 HB3 LYS 37 HB1 LYS 37 6.943 -8.073 -2.342 140 HG2 LYS 37 HG2 LYS 37 6.241 -7.179 -4.609 141 HG3 LYS 37 HG1 LYS 37 7.853 -6.472 -4.704 142 HD2 LYS 37 HD2 LYS 37 7.301 -9.400 -4.236 143 HD3 LYS 37 HD1 LYS 37 7.663 -8.692 -5.810 144 HE2 LYS 37 HE2 LYS 37 9.837 -7.963 -5.000 145 HE3 LYS 37 HE1 LYS 37 9.472 -8.600 -3.398 146 HZ1 LYS 37 HZ1 LYS 37 9.633 -10.236 -5.868 147 HZ2 LYS 37 HZ2 LYS 37 9.402 -10.815 -4.296 148 HZ3 LYS 37 HZ3 LYS 37 10.869 -10.095 -4.726 149 H VAL 38 HN VAL 38 7.474 -4.224 -0.745 150 HA VAL 38 HA VAL 38 7.812 -2.292 -2.949 151 HB VAL 38 HB VAL 38 7.566 -0.508 -1.393 152 HG11 VAL 38 HG11 VAL 38 5.457 -1.467 -2.068 153 HG12 VAL 38 HG12 VAL 38 5.350 -0.938 -0.389 154 HG13 VAL 38 HG13 VAL 38 5.540 -2.652 -0.764 155 HG21 VAL 38 HG21 VAL 38 8.877 -1.397 0.452 156 HG22 VAL 38 HG22 VAL 38 7.616 -2.578 0.805 157 HG23 VAL 38 HG23 VAL 38 7.301 -0.857 1.030 158 H LYS 39 HN LYS 39 9.642 -0.706 -2.530 159 HA LYS 39 HA LYS 39 11.956 -2.147 -1.420 160 HB2 LYS 39 HB2 LYS 39 11.657 -1.434 -4.020 161 HB3 LYS 39 HB1 LYS 39 12.435 0.013 -3.391 162 HG2 LYS 39 HG2 LYS 39 14.374 -1.112 -2.835 163 HG3 LYS 39 HG1 LYS 39 13.574 -2.681 -2.788 164 HD2 LYS 39 HD2 LYS 39 14.861 -2.730 -4.741 165 HD3 LYS 39 HD1 LYS 39 13.226 -2.381 -5.300 166 HE2 LYS 39 HE2 LYS 39 13.739 -0.085 -5.622 167 HE3 LYS 39 HE1 LYS 39 15.273 -0.239 -4.768 168 HZ1 LYS 39 HZ1 LYS 39 15.562 -0.166 -7.175 169 HZ2 LYS 39 HZ2 LYS 39 14.608 -1.555 -7.351 170 HZ3 LYS 39 HZ3 LYS 39 16.095 -1.637 -6.539 171 H MET 40 HN MET 40 13.617 -0.780 -0.436 172 HA MET 40 HA MET 40 12.438 1.156 1.284 173 HB2 MET 40 HB2 MET 40 14.344 -0.374 1.880 174 HB3 MET 40 HB1 MET 40 15.385 0.657 0.910 175 HG2 MET 40 HG2 MET 40 15.422 1.101 3.370 176 HG3 MET 40 HG1 MET 40 15.074 2.497 2.353 177 HE1 MET 40 HE1 MET 40 12.234 -0.257 3.046 178 HE2 MET 40 HE2 MET 40 11.854 0.183 4.711 179 HE3 MET 40 HE3 MET 40 13.460 -0.418 4.301 180 H THR 41 HN THR 41 14.350 1.392 -1.647 181 HA THR 41 HA THR 41 14.903 4.176 -1.414 182 HB THR 41 HB THR 41 15.983 2.391 -3.012 183 HG1 THR 41 HG1 THR 41 16.115 4.385 -4.619 184 HG21 THR 41 HG21 THR 41 14.198 1.652 -4.338 185 HG22 THR 41 HG22 THR 41 15.038 2.792 -5.385 186 HG23 THR 41 HG23 THR 41 13.539 3.281 -4.570 187 H THR 42 HN THR 42 12.133 2.409 -2.058 188 HA THR 42 HA THR 42 10.886 4.391 -3.755 189 HB THR 42 HB THR 42 9.512 2.007 -2.551 190 HG1 THR 42 HG1 THR 42 11.627 2.114 -4.344 191 HG21 THR 42 HG21 THR 42 9.319 3.303 -5.259 192 HG22 THR 42 HG22 THR 42 8.266 3.714 -3.890 193 HG23 THR 42 HG23 THR 42 8.228 2.088 -4.580 194 H HIS 43 HN HIS 43 9.319 5.742 -3.185 195 HA HIS 43 HA HIS 43 8.818 6.090 -0.329 196 HB2 HIS 43 HB2 HIS 43 7.608 8.190 -1.813 197 HB3 HIS 43 HB1 HIS 43 9.032 8.292 -0.788 198 HD2 HIS 43 HD2 HIS 43 11.545 7.737 -2.348 199 HE1 HIS 43 HE1 HIS 43 9.678 9.148 -5.873 200 HE2 HIS 43 HE2 HIS 43 11.876 8.508 -4.795 201 H LEU 44 HN LEU 44 6.485 6.590 0.268 202 HA LEU 44 HA LEU 44 4.843 4.563 -0.924 203 HB2 LEU 44 HB2 LEU 44 4.249 6.558 1.251 204 HB3 LEU 44 HB1 LEU 44 3.152 5.283 0.752 205 HG LEU 44 HG LEU 44 5.830 4.976 2.112 206 HD11 LEU 44 HD11 LEU 44 4.680 4.368 3.963 207 HD12 LEU 44 HD12 LEU 44 3.368 3.634 3.040 208 HD13 LEU 44 HD13 LEU 44 3.434 5.385 3.235 209 HD21 LEU 44 HD21 LEU 44 5.398 2.527 1.972 210 HD22 LEU 44 HD22 LEU 44 5.753 3.277 0.414 211 HD23 LEU 44 HD23 LEU 44 4.090 2.870 0.838 212 H LYS 45 HN LYS 45 5.543 7.311 -2.274 213 HA LYS 45 HA LYS 45 3.005 8.517 -2.747 214 HB2 LYS 45 HB2 LYS 45 5.036 9.820 -2.980 215 HB3 LYS 45 HB1 LYS 45 5.628 8.743 -4.235 216 HG2 LYS 45 HG2 LYS 45 4.825 10.736 -5.266 217 HG3 LYS 45 HG1 LYS 45 3.706 9.426 -5.651 218 HD2 LYS 45 HD2 LYS 45 2.336 10.235 -3.658 219 HD3 LYS 45 HD1 LYS 45 3.342 11.685 -3.700 220 HE2 LYS 45 HE2 LYS 45 2.681 12.037 -6.048 221 HE3 LYS 45 HE1 LYS 45 1.622 10.631 -5.940 222 HZ1 LYS 45 HZ1 LYS 45 1.379 13.194 -4.486 223 HZ2 LYS 45 HZ2 LYS 45 0.490 11.819 -4.058 224 HZ3 LYS 45 HZ3 LYS 45 0.291 12.520 -5.586 225 H LYS 46 HN LYS 46 5.142 6.599 -4.864 226 HA LYS 46 HA LYS 46 3.143 6.268 -6.865 227 HB2 LYS 46 HB2 LYS 46 5.643 6.183 -7.240 228 HB3 LYS 46 HB1 LYS 46 5.628 4.589 -6.500 229 HG2 LYS 46 HG2 LYS 46 4.333 3.680 -8.260 230 HG3 LYS 46 HG1 LYS 46 3.956 5.279 -8.902 231 HD2 LYS 46 HD2 LYS 46 6.808 4.432 -8.701 232 HD3 LYS 46 HD1 LYS 46 5.823 3.804 -10.025 233 HE2 LYS 46 HE2 LYS 46 5.270 6.087 -10.696 234 HE3 LYS 46 HE1 LYS 46 6.215 6.715 -9.350 235 HZ1 LYS 46 HZ1 LYS 46 7.396 6.750 -11.502 236 HZ2 LYS 46 HZ2 LYS 46 7.341 5.062 -11.543 237 HZ3 LYS 46 HZ3 LYS 46 8.204 5.850 -10.315 238 H LEU 47 HN LEU 47 3.867 4.689 -3.931 239 HA LEU 47 HA LEU 47 2.948 2.086 -4.368 240 HB2 LEU 47 HB2 LEU 47 3.576 3.775 -2.127 241 HB3 LEU 47 HB1 LEU 47 2.100 2.900 -1.793 242 HG LEU 47 HG LEU 47 3.841 1.601 -0.885 243 HD11 LEU 47 HD11 LEU 47 3.542 0.197 -3.490 244 HD12 LEU 47 HD12 LEU 47 2.106 0.519 -2.524 245 HD13 LEU 47 HD13 LEU 47 3.426 -0.435 -1.849 246 HD21 LEU 47 HD21 LEU 47 5.261 1.857 -3.531 247 HD22 LEU 47 HD22 LEU 47 5.820 0.918 -2.146 248 HD23 LEU 47 HD23 LEU 47 5.706 2.675 -2.035 249 H LYS 48 HN LYS 48 1.232 4.914 -3.137 250 HA LYS 48 HA LYS 48 -1.293 3.807 -2.869 251 HB2 LYS 48 HB2 LYS 48 -0.533 6.657 -3.500 252 HB3 LYS 48 HB1 LYS 48 -2.111 6.135 -2.926 253 HG2 LYS 48 HG2 LYS 48 -1.048 5.303 -0.861 254 HG3 LYS 48 HG1 LYS 48 0.499 5.919 -1.440 255 HD2 LYS 48 HD2 LYS 48 -0.494 7.496 0.112 256 HD3 LYS 48 HD1 LYS 48 -0.453 8.190 -1.511 257 HE2 LYS 48 HE2 LYS 48 -2.791 7.686 -1.832 258 HE3 LYS 48 HE1 LYS 48 -2.858 6.846 -0.283 259 HZ1 LYS 48 HZ1 LYS 48 -3.761 9.132 -0.249 260 HZ2 LYS 48 HZ2 LYS 48 -2.213 9.731 -0.588 261 HZ3 LYS 48 HZ3 LYS 48 -2.504 8.892 0.857 262 H GLU 49 HN GLU 49 0.052 5.557 -5.689 263 HA GLU 49 HA GLU 49 -2.373 5.354 -7.153 264 HB2 GLU 49 HB2 GLU 49 -1.002 6.014 -9.132 265 HB3 GLU 49 HB1 GLU 49 -0.894 7.112 -7.767 266 HG2 GLU 49 HG2 GLU 49 1.275 6.459 -7.261 267 HG3 GLU 49 HG1 GLU 49 1.150 4.978 -8.209 268 H SER 50 HN SER 50 0.512 3.316 -7.005 269 HA SER 50 HA SER 50 -0.056 1.718 -9.238 270 HB2 SER 50 HB2 SER 50 1.395 0.992 -6.686 271 HB3 SER 50 HB1 SER 50 1.402 0.022 -8.162 272 HG SER 50 HG SER 50 2.442 2.635 -7.770 273 H TYR 51 HN TYR 51 -1.175 1.489 -5.892 274 HA TYR 51 HA TYR 51 -2.465 -1.015 -6.178 275 HB2 TYR 51 HB2 TYR 51 -1.927 0.068 -3.980 276 HB3 TYR 51 HB1 TYR 51 -3.222 1.221 -4.284 277 HD1 TYR 51 HD1 TYR 51 -2.426 -2.257 -3.443 278 HD2 TYR 51 HD2 TYR 51 -5.550 0.550 -4.115 279 HE1 TYR 51 HE1 TYR 51 -4.043 -3.829 -2.461 280 HE2 TYR 51 HE2 TYR 51 -7.174 -1.011 -3.130 281 HH TYR 51 HH TYR 51 -6.355 -3.622 -1.301 282 H CYS 52 HN CYS 52 -3.506 2.324 -6.638 283 HA CYS 52 HA CYS 52 -6.229 1.778 -7.137 284 HB2 CYS 52 HB2 CYS 52 -4.588 4.088 -8.203 285 HB3 CYS 52 HB1 CYS 52 -6.340 4.036 -8.015 286 HG CYS 52 HG CYS 52 -4.032 4.072 -5.480 287 H GLN 53 HN GLN 53 -3.401 2.039 -9.232 288 HA GLN 53 HA GLN 53 -4.715 1.829 -11.702 289 HB2 GLN 53 HB2 GLN 53 -1.918 1.044 -10.882 290 HB3 GLN 53 HB1 GLN 53 -2.481 1.045 -12.548 291 HG2 GLN 53 HG2 GLN 53 -2.702 3.370 -12.592 292 HG3 GLN 53 HG1 GLN 53 -2.643 3.499 -10.834 293 HE21 GLN 53 HE21 GLN 53 -1.030 4.847 -12.854 294 HE22 GLN 53 HE22 GLN 53 0.614 4.451 -12.500 295 H ARG 54 HN ARG 54 -3.594 -0.628 -9.437 296 HA ARG 54 HA ARG 54 -4.098 -2.814 -11.221 297 HB2 ARG 54 HB2 ARG 54 -2.435 -3.004 -9.422 298 HB3 ARG 54 HB1 ARG 54 -3.703 -2.805 -8.219 299 HG2 ARG 54 HG2 ARG 54 -4.643 -4.901 -8.702 300 HG3 ARG 54 HG1 ARG 54 -3.754 -5.044 -10.216 301 HD2 ARG 54 HD2 ARG 54 -1.675 -5.310 -9.019 302 HD3 ARG 54 HD1 ARG 54 -2.490 -5.031 -7.481 303 HE ARG 54 HE ARG 54 -3.667 -7.126 -7.820 304 HH11 ARG 54 HH11 ARG 54 -0.833 -6.571 -9.818 305 HH12 ARG 54 HH12 ARG 54 -0.574 -8.255 -10.140 306 HH21 ARG 54 HH21 ARG 54 -3.343 -9.344 -8.267 307 HH22 ARG 54 HH22 ARG 54 -2.002 -9.838 -9.253 308 H GLN 55 HN GLN 55 -5.949 -1.033 -8.881 309 HA GLN 55 HA GLN 55 -8.079 -2.989 -8.792 310 HB2 GLN 55 HB2 GLN 55 -7.723 -0.249 -7.600 311 HB3 GLN 55 HB1 GLN 55 -9.254 -1.108 -7.504 312 HG2 GLN 55 HG2 GLN 55 -6.610 -2.002 -6.383 313 HG3 GLN 55 HG1 GLN 55 -8.017 -1.444 -5.477 314 HE21 GLN 55 HE21 GLN 55 -9.776 -2.804 -5.228 315 HE22 GLN 55 HE22 GLN 55 -9.708 -4.493 -5.597 316 H GLY 56 HN GLY 56 -7.223 -0.271 -10.697 317 HA2 GLY 56 HA2 GLY 56 -8.204 0.390 -12.700 318 HA3 GLY 56 HA1 GLY 56 -9.565 -0.669 -12.354 319 H VAL 57 HN VAL 57 -8.306 1.740 -10.154 320 HA VAL 57 HA VAL 57 -10.680 3.409 -10.621 321 HB VAL 57 HB VAL 57 -10.788 3.822 -8.150 322 HG11 VAL 57 HG11 VAL 57 -11.838 1.615 -7.597 323 HG12 VAL 57 HG12 VAL 57 -11.256 1.020 -9.154 324 HG13 VAL 57 HG13 VAL 57 -12.411 2.354 -9.093 325 HG21 VAL 57 HG21 VAL 57 -8.484 3.081 -7.635 326 HG22 VAL 57 HG22 VAL 57 -8.974 1.419 -7.959 327 HG23 VAL 57 HG23 VAL 57 -9.698 2.306 -6.618 328 HA PRO 58 HA PRO 58 -7.807 6.777 -10.648 329 HB2 PRO 58 HB2 PRO 58 -9.302 8.782 -9.558 330 HB3 PRO 58 HB1 PRO 58 -9.535 8.191 -11.209 331 HG2 PRO 58 HG2 PRO 58 -11.091 7.546 -8.751 332 HG3 PRO 58 HG1 PRO 58 -11.666 7.843 -10.402 333 HD2 PRO 58 HD2 PRO 58 -11.436 5.355 -9.382 334 HD3 PRO 58 HD1 PRO 58 -11.189 5.711 -11.104 335 H MET 59 HN MET 59 -6.716 8.364 -9.184 336 HA MET 59 HA MET 59 -6.085 7.092 -6.698 337 HB2 MET 59 HB2 MET 59 -4.513 8.438 -8.242 338 HB3 MET 59 HB1 MET 59 -5.206 9.863 -7.481 339 HG2 MET 59 HG2 MET 59 -4.392 9.206 -5.340 340 HG3 MET 59 HG1 MET 59 -3.896 7.630 -5.954 341 HE1 MET 59 HE1 MET 59 -2.023 9.321 -4.236 342 HE2 MET 59 HE2 MET 59 -0.499 9.423 -5.117 343 HE3 MET 59 HE3 MET 59 -1.356 7.885 -5.008 344 H ASN 60 HN ASN 60 -6.225 8.070 -4.607 345 HA ASN 60 HA ASN 60 -7.168 9.197 -2.883 346 HB2 ASN 60 HB2 ASN 60 -6.899 11.221 -4.469 347 HB3 ASN 60 HB1 ASN 60 -8.621 11.028 -4.781 348 HD21 ASN 60 HD21 ASN 60 -9.445 12.777 -3.791 349 HD22 ASN 60 HD22 ASN 60 -9.270 13.129 -2.105 350 H SER 61 HN SER 61 -8.484 7.058 -4.572 351 HA SER 61 HA SER 61 -11.294 7.524 -3.907 352 HB2 SER 61 HB2 SER 61 -11.626 5.350 -5.152 353 HB3 SER 61 HB1 SER 61 -10.942 6.656 -6.122 354 HG SER 61 HG SER 61 -9.213 5.503 -6.411 355 H LEU 62 HN LEU 62 -8.534 5.622 -3.020 356 HA LEU 62 HA LEU 62 -10.106 4.352 -0.882 357 HB2 LEU 62 HB2 LEU 62 -7.689 3.175 -2.254 358 HB3 LEU 62 HB1 LEU 62 -8.689 2.401 -1.042 359 HG LEU 62 HG LEU 62 -9.832 3.235 -3.694 360 HD11 LEU 62 HD11 LEU 62 -9.446 0.880 -4.414 361 HD12 LEU 62 HD12 LEU 62 -8.383 0.683 -3.022 362 HD13 LEU 62 HD13 LEU 62 -7.980 1.849 -4.281 363 HD21 LEU 62 HD21 LEU 62 -10.608 1.280 -1.540 364 HD22 LEU 62 HD22 LEU 62 -11.333 1.275 -3.146 365 HD23 LEU 62 HD23 LEU 62 -11.500 2.690 -2.110 366 H ARG 63 HN ARG 63 -9.254 4.357 1.141 367 HA ARG 63 HA ARG 63 -6.793 5.920 1.512 368 HB2 ARG 63 HB2 ARG 63 -7.614 6.357 3.805 369 HB3 ARG 63 HB1 ARG 63 -8.728 6.941 2.578 370 HG2 ARG 63 HG2 ARG 63 -10.162 5.011 2.938 371 HG3 ARG 63 HG1 ARG 63 -9.024 4.375 4.126 372 HD2 ARG 63 HD2 ARG 63 -9.428 6.223 5.598 373 HD3 ARG 63 HD1 ARG 63 -10.393 7.047 4.376 374 HE ARG 63 HE ARG 63 -11.193 4.616 5.845 375 HH11 ARG 63 HH11 ARG 63 -12.014 7.445 3.931 376 HH12 ARG 63 HH12 ARG 63 -13.729 7.233 4.144 377 HH21 ARG 63 HH21 ARG 63 -14.544 5.473 5.358 378 HH22 ARG 63 HH22 ARG 63 -13.453 4.336 6.091 379 H PHE 64 HN PHE 64 -5.063 4.985 2.375 380 HA PHE 64 HA PHE 64 -5.237 2.174 3.121 381 HB2 PHE 64 HB2 PHE 64 -2.795 3.932 2.767 382 HB3 PHE 64 HB1 PHE 64 -2.800 2.182 2.958 383 HD1 PHE 64 HD1 PHE 64 -3.358 4.965 0.684 384 HD2 PHE 64 HD2 PHE 64 -3.564 0.736 1.140 385 HE1 PHE 64 HE1 PHE 64 -3.538 4.712 -1.755 386 HE2 PHE 64 HE2 PHE 64 -3.740 0.481 -1.300 387 HZ PHE 64 HZ PHE 64 -3.731 2.471 -2.749 388 H LEU 65 HN LEU 65 -5.063 1.469 5.158 389 HA LEU 65 HA LEU 65 -4.486 3.484 7.228 390 HB2 LEU 65 HB2 LEU 65 -6.160 0.986 7.457 391 HB3 LEU 65 HB1 LEU 65 -5.891 2.162 8.727 392 HG LEU 65 HG LEU 65 -7.315 2.755 6.131 393 HD11 LEU 65 HD11 LEU 65 -8.481 2.312 8.872 394 HD12 LEU 65 HD12 LEU 65 -8.538 1.147 7.551 395 HD13 LEU 65 HD13 LEU 65 -9.363 2.697 7.396 396 HD21 LEU 65 HD21 LEU 65 -8.032 4.791 7.327 397 HD22 LEU 65 HD22 LEU 65 -6.288 4.722 7.082 398 HD23 LEU 65 HD23 LEU 65 -6.972 4.353 8.667 399 H PHE 66 HN PHE 66 -2.998 3.099 8.722 400 HA PHE 66 HA PHE 66 -1.801 0.436 8.950 401 HB2 PHE 66 HB2 PHE 66 -0.350 1.661 7.404 402 HB3 PHE 66 HB1 PHE 66 -0.245 3.005 8.538 403 HD1 PHE 66 HD1 PHE 66 0.458 -0.638 8.289 404 HD2 PHE 66 HD2 PHE 66 1.517 3.093 10.030 405 HE1 PHE 66 HE1 PHE 66 2.418 -1.690 9.340 406 HE2 PHE 66 HE2 PHE 66 3.478 2.047 11.084 407 HZ PHE 66 HZ PHE 66 3.933 -0.347 10.736 408 H GLU 67 HN GLU 67 -2.108 -0.083 10.986 409 HA GLU 67 HA GLU 67 -2.204 -0.039 13.243 410 HB2 GLU 67 HB2 GLU 67 -0.240 2.205 12.804 411 HB3 GLU 67 HB1 GLU 67 -0.700 1.654 14.410 412 HG2 GLU 67 HG2 GLU 67 0.629 0.012 12.264 413 HG3 GLU 67 HG1 GLU 67 1.378 0.633 13.734 414 H GLY 68 HN GLY 68 -4.113 1.551 11.630 415 HA2 GLY 68 HA2 GLY 68 -6.102 2.501 12.519 416 HA3 GLY 68 HA1 GLY 68 -5.172 3.117 13.872 417 H GLN 69 HN GLN 69 -3.109 4.082 11.825 418 HA GLN 69 HA GLN 69 -4.521 6.594 11.276 419 HB2 GLN 69 HB2 GLN 69 -1.746 6.816 10.677 420 HB3 GLN 69 HB1 GLN 69 -2.655 7.608 11.956 421 HG2 GLN 69 HG2 GLN 69 -2.221 5.767 13.455 422 HG3 GLN 69 HG1 GLN 69 -1.406 4.878 12.168 423 HE21 GLN 69 HE21 GLN 69 -0.404 5.740 14.757 424 HE22 GLN 69 HE22 GLN 69 0.979 6.727 14.432 425 H ARG 70 HN ARG 70 -4.353 7.612 9.232 426 HA ARG 70 HA ARG 70 -4.224 5.708 7.058 427 HB2 ARG 70 HB2 ARG 70 -5.049 7.561 5.661 428 HB3 ARG 70 HB1 ARG 70 -6.057 7.291 7.075 429 HG2 ARG 70 HG2 ARG 70 -4.836 9.180 8.185 430 HG3 ARG 70 HG1 ARG 70 -4.076 9.508 6.627 431 HD2 ARG 70 HD2 ARG 70 -7.052 9.414 7.079 432 HD3 ARG 70 HD1 ARG 70 -6.093 10.893 7.098 433 HE ARG 70 HE ARG 70 -5.457 10.174 4.726 434 HH11 ARG 70 HH11 ARG 70 -9.423 9.506 4.680 435 HH12 ARG 70 HH12 ARG 70 -8.578 9.513 6.195 436 HH21 ARG 70 HH21 ARG 70 -8.298 9.864 2.723 437 HH22 ARG 70 HH22 ARG 70 -6.579 10.152 2.746 438 H ILE 71 HN ILE 71 -2.949 5.912 5.218 439 HA ILE 71 HA ILE 71 -0.268 6.823 5.735 440 HB ILE 71 HB ILE 71 -1.516 5.470 3.341 441 HG12 ILE 71 HG12 ILE 71 -1.386 4.061 5.330 442 HG13 ILE 71 HG11 ILE 71 -0.236 3.509 4.117 443 HG21 ILE 71 HG21 ILE 71 1.382 6.131 3.835 444 HG22 ILE 71 HG22 ILE 71 0.349 6.798 2.571 445 HG23 ILE 71 HG23 ILE 71 0.783 5.089 2.546 446 HD11 ILE 71 HD11 ILE 71 0.373 5.099 6.596 447 HD12 ILE 71 HD12 ILE 71 1.551 4.704 5.343 448 HD13 ILE 71 HD13 ILE 71 0.788 3.415 6.276 449 H ALA 72 HN ALA 72 0.700 8.595 5.012 450 HA ALA 72 HA ALA 72 -0.866 10.570 3.571 451 HB1 ALA 72 HB1 ALA 72 1.922 10.715 4.727 452 HB2 ALA 72 HB2 ALA 72 0.442 11.292 5.496 453 HB3 ALA 72 HB3 ALA 72 1.034 12.066 4.026 454 H ASP 73 HN ASP 73 0.222 11.780 1.762 455 HA ASP 73 HA ASP 73 0.955 9.902 -0.262 456 HB2 ASP 73 HB2 ASP 73 0.342 12.784 -0.139 457 HB3 ASP 73 HB1 ASP 73 1.434 12.301 -1.431 458 H ASN 74 HN ASN 74 2.763 11.769 1.973 459 HA ASN 74 HA ASN 74 5.198 11.319 0.382 460 HB2 ASN 74 HB2 ASN 74 6.230 13.176 1.482 461 HB3 ASN 74 HB1 ASN 74 4.641 13.709 0.943 462 HD21 ASN 74 HD21 ASN 74 6.638 14.285 3.254 463 HD22 ASN 74 HD22 ASN 74 5.590 14.426 4.625 464 H HIS 75 HN HIS 75 3.779 9.457 2.283 465 HA HIS 75 HA HIS 75 5.469 9.271 4.585 466 HB2 HIS 75 HB2 HIS 75 3.141 7.840 3.536 467 HB3 HIS 75 HB1 HIS 75 4.304 6.787 4.333 468 HD2 HIS 75 HD2 HIS 75 4.999 9.276 6.608 469 HE1 HIS 75 HE1 HIS 75 1.051 8.284 7.758 470 HE2 HIS 75 HE2 HIS 75 3.198 9.423 8.468 471 H THR 76 HN THR 76 7.068 7.781 5.036 472 HA THR 76 HA THR 76 8.281 6.473 2.685 473 HB THR 76 HB THR 76 9.986 6.851 5.049 474 HG1 THR 76 HG1 THR 76 8.730 8.797 5.136 475 HG21 THR 76 HG21 THR 76 10.932 6.133 2.952 476 HG22 THR 76 HG22 THR 76 11.528 7.754 3.305 477 HG23 THR 76 HG23 THR 76 10.245 7.525 2.116 478 HA PRO 77 HA PRO 77 7.405 2.561 4.639 479 HB2 PRO 77 HB2 PRO 77 9.913 1.596 3.395 480 HB3 PRO 77 HB1 PRO 77 8.257 1.002 3.202 481 HG2 PRO 77 HG2 PRO 77 9.447 2.361 1.250 482 HG3 PRO 77 HG1 PRO 77 7.719 2.568 1.601 483 HD2 PRO 77 HD2 PRO 77 10.015 4.348 2.300 484 HD3 PRO 77 HD1 PRO 77 8.377 4.771 1.757 485 H LYS 78 HN LYS 78 10.458 4.161 5.033 486 HA LYS 78 HA LYS 78 11.483 2.338 6.993 487 HB2 LYS 78 HB2 LYS 78 12.987 3.663 5.582 488 HB3 LYS 78 HB1 LYS 78 12.357 5.142 6.286 489 HG2 LYS 78 HG2 LYS 78 14.516 4.576 7.238 490 HG3 LYS 78 HG1 LYS 78 13.251 4.499 8.466 491 HD2 LYS 78 HD2 LYS 78 14.668 2.605 8.772 492 HD3 LYS 78 HD1 LYS 78 13.154 2.025 8.082 493 HE2 LYS 78 HE2 LYS 78 14.204 1.981 5.859 494 HE3 LYS 78 HE1 LYS 78 15.720 2.525 6.576 495 HZ1 LYS 78 HZ1 LYS 78 14.316 -0.012 7.220 496 HZ2 LYS 78 HZ2 LYS 78 15.776 0.505 7.898 497 HZ3 LYS 78 HZ3 LYS 78 15.694 0.132 6.251 498 H GLU 79 HN GLU 79 9.685 5.377 7.079 499 HA GLU 79 HA GLU 79 10.015 5.687 9.916 500 HB2 GLU 79 HB2 GLU 79 8.618 7.606 9.732 501 HB3 GLU 79 HB1 GLU 79 9.671 7.595 8.328 502 HG2 GLU 79 HG2 GLU 79 7.814 6.619 7.010 503 HG3 GLU 79 HG1 GLU 79 6.770 6.810 8.419 504 H LEU 80 HN LEU 80 7.961 6.003 11.269 505 HA LEU 80 HA LEU 80 6.115 5.177 12.282 506 HB2 LEU 80 HB2 LEU 80 5.620 4.362 9.474 507 HB3 LEU 80 HB1 LEU 80 4.704 3.523 10.709 508 HG LEU 80 HG LEU 80 4.765 6.526 10.589 509 HD11 LEU 80 HD11 LEU 80 4.016 5.880 8.414 510 HD12 LEU 80 HD12 LEU 80 2.605 6.353 9.360 511 HD13 LEU 80 HD13 LEU 80 2.953 4.646 9.089 512 HD21 LEU 80 HD21 LEU 80 2.585 6.246 11.724 513 HD22 LEU 80 HD22 LEU 80 3.936 5.581 12.641 514 HD23 LEU 80 HD23 LEU 80 2.859 4.504 11.752 515 H GLY 81 HN GLY 81 7.003 2.453 10.137 516 HA2 GLY 81 HA2 GLY 81 8.542 0.837 11.469 517 HA3 GLY 81 HA1 GLY 81 7.157 0.773 12.546 518 H MET 82 HN MET 82 7.832 0.475 9.061 519 HA MET 82 HA MET 82 5.821 -1.659 8.910 520 HB2 MET 82 HB2 MET 82 7.181 0.013 6.793 521 HB3 MET 82 HB1 MET 82 6.195 -1.391 6.408 522 HG2 MET 82 HG2 MET 82 4.255 -0.362 7.359 523 HG3 MET 82 HG1 MET 82 5.212 0.997 7.948 524 HE1 MET 82 HE1 MET 82 2.592 1.558 6.296 525 HE2 MET 82 HE2 MET 82 3.200 2.837 5.244 526 HE3 MET 82 HE3 MET 82 3.710 2.763 6.931 527 H GLU 83 HN GLU 83 6.431 -3.742 8.669 528 HA GLU 83 HA GLU 83 9.228 -4.260 7.880 529 HB2 GLU 83 HB2 GLU 83 7.713 -5.569 10.137 530 HB3 GLU 83 HB1 GLU 83 9.270 -6.119 9.538 531 HG2 GLU 83 HG2 GLU 83 8.833 -3.342 10.586 532 HG3 GLU 83 HG1 GLU 83 9.286 -4.694 11.624 533 H GLU 84 HN GLU 84 9.343 -6.890 7.805 534 HA GLU 84 HA GLU 84 7.857 -7.582 5.487 535 HB2 GLU 84 HB2 GLU 84 10.126 -8.419 5.867 536 HB3 GLU 84 HB1 GLU 84 9.592 -9.269 7.308 537 HG2 GLU 84 HG2 GLU 84 9.767 -10.908 5.653 538 HG3 GLU 84 HG1 GLU 84 8.044 -10.578 5.795 539 H GLU 85 HN GLU 85 6.127 -8.916 5.239 540 HA GLU 85 HA GLU 85 4.262 -10.115 5.707 541 HB2 GLU 85 HB2 GLU 85 5.758 -10.709 8.258 542 HB3 GLU 85 HB1 GLU 85 4.160 -11.362 7.922 543 HG2 GLU 85 HG2 GLU 85 6.618 -11.803 6.244 544 HG3 GLU 85 HG1 GLU 85 5.949 -12.945 7.406 545 H ASP 86 HN ASP 86 4.659 -7.265 6.445 546 HA ASP 86 HA ASP 86 3.132 -6.737 8.790 547 HB2 ASP 86 HB2 ASP 86 4.786 -5.230 7.279 548 HB3 ASP 86 HB1 ASP 86 3.230 -4.681 6.660 549 H VAL 87 HN VAL 87 1.031 -5.572 8.763 550 HA VAL 87 HA VAL 87 -0.685 -6.615 6.600 551 HB VAL 87 HB VAL 87 -1.540 -6.121 9.460 552 HG11 VAL 87 HG11 VAL 87 -3.309 -5.932 7.746 553 HG12 VAL 87 HG12 VAL 87 -3.562 -7.291 8.845 554 HG13 VAL 87 HG13 VAL 87 -2.941 -7.576 7.220 555 HG21 VAL 87 HG21 VAL 87 -0.869 -8.727 8.093 556 HG22 VAL 87 HG22 VAL 87 -1.591 -8.569 9.695 557 HG23 VAL 87 HG23 VAL 87 0.040 -7.967 9.399 558 H ILE 88 HN ILE 88 -1.832 -5.160 5.482 559 HA ILE 88 HA ILE 88 -2.209 -2.486 6.654 560 HB ILE 88 HB ILE 88 -0.457 -2.173 5.096 561 HG12 ILE 88 HG12 ILE 88 -3.061 -1.436 3.738 562 HG13 ILE 88 HG11 ILE 88 -2.205 -0.469 4.936 563 HG21 ILE 88 HG21 ILE 88 -2.065 -3.708 3.062 564 HG22 ILE 88 HG22 ILE 88 -0.658 -4.316 3.931 565 HG23 ILE 88 HG23 ILE 88 -0.482 -2.973 2.803 566 HD11 ILE 88 HD11 ILE 88 -1.245 -1.154 2.168 567 HD12 ILE 88 HD12 ILE 88 -0.326 -0.242 3.364 568 HD13 ILE 88 HD13 ILE 88 -1.832 0.412 2.724 569 H GLU 89 HN GLU 89 -4.181 -1.584 6.401 570 HA GLU 89 HA GLU 89 -6.200 -3.182 4.975 571 HB2 GLU 89 HB2 GLU 89 -6.492 -1.188 7.230 572 HB3 GLU 89 HB1 GLU 89 -7.845 -1.936 6.394 573 HG2 GLU 89 HG2 GLU 89 -6.872 -4.164 7.091 574 HG3 GLU 89 HG1 GLU 89 -5.802 -3.251 8.156 575 H VAL 90 HN VAL 90 -7.732 -2.126 3.643 576 HA VAL 90 HA VAL 90 -7.169 0.668 2.981 577 HB VAL 90 HB VAL 90 -5.897 -0.585 1.349 578 HG11 VAL 90 HG11 VAL 90 -8.469 -2.011 0.688 579 HG12 VAL 90 HG12 VAL 90 -7.048 -2.717 1.459 580 HG13 VAL 90 HG13 VAL 90 -6.957 -2.153 -0.210 581 HG21 VAL 90 HG21 VAL 90 -6.925 0.232 -0.726 582 HG22 VAL 90 HG22 VAL 90 -6.968 1.440 0.560 583 HG23 VAL 90 HG23 VAL 90 -8.426 0.535 0.152 584 H TYR 91 HN TYR 91 -8.968 1.835 2.873 585 HA TYR 91 HA TYR 91 -11.492 0.451 2.292 586 HB2 TYR 91 HB2 TYR 91 -10.856 2.281 4.579 587 HB3 TYR 91 HB1 TYR 91 -12.505 2.162 3.967 588 HD1 TYR 91 HD1 TYR 91 -13.725 0.030 4.094 589 HD2 TYR 91 HD2 TYR 91 -9.878 0.490 5.843 590 HE1 TYR 91 HE1 TYR 91 -14.085 -2.015 5.401 591 HE2 TYR 91 HE2 TYR 91 -10.229 -1.556 7.164 592 HH TYR 91 HH TYR 91 -12.638 -3.772 6.486 593 H GLN 92 HN GLN 92 -13.146 1.738 1.348 594 HA GLN 92 HA GLN 92 -12.116 3.648 -0.509 595 HB2 GLN 92 HB2 GLN 92 -14.016 2.024 -0.926 596 HB3 GLN 92 HB1 GLN 92 -15.022 3.068 0.069 597 HG2 GLN 92 HG2 GLN 92 -14.216 4.928 -1.573 598 HG3 GLN 92 HG1 GLN 92 -13.869 3.564 -2.634 599 HE21 GLN 92 HE21 GLN 92 -16.314 5.460 -1.106 600 HE22 GLN 92 HE22 GLN 92 -17.668 4.781 -1.951 601 H GLU 93 HN GLU 93 -12.319 5.832 -0.551 602 HA GLU 93 HA GLU 93 -12.847 7.162 1.945 603 HB2 GLU 93 HB2 GLU 93 -11.989 8.064 -0.795 604 HB3 GLU 93 HB1 GLU 93 -12.425 9.231 0.445 605 HG2 GLU 93 HG2 GLU 93 -10.418 7.125 1.076 606 HG3 GLU 93 HG1 GLU 93 -9.943 8.510 0.095 607 H GLN 94 HN GLN 94 -14.336 9.016 2.095 608 HA GLN 94 HA GLN 94 -16.948 8.283 1.231 609 HB2 GLN 94 HB2 GLN 94 -16.720 9.395 3.344 610 HB3 GLN 94 HB1 GLN 94 -15.888 10.756 2.604 611 HG2 GLN 94 HG2 GLN 94 -17.884 11.464 1.505 612 HG3 GLN 94 HG1 GLN 94 -18.739 10.007 2.008 613 HE21 GLN 94 HE21 GLN 94 -20.334 11.305 2.973 614 HE22 GLN 94 HE22 GLN 94 -20.059 12.086 4.491 615 H THR 95 HN THR 95 -14.558 10.609 0.150 616 HA THR 95 HA THR 95 -16.151 12.131 -1.580 617 HB THR 95 HB THR 95 -13.856 12.324 -2.863 618 HG1 THR 95 HG1 THR 95 -12.687 11.666 -0.437 619 HG21 THR 95 HG21 THR 95 -14.809 14.106 -1.511 620 HG22 THR 95 HG22 THR 95 -13.084 13.957 -1.182 621 HG23 THR 95 HG23 THR 95 -14.260 13.310 -0.037 622 H GLY 96 HN GLY 96 -14.532 9.042 -1.994 623 HA2 GLY 96 HA2 GLY 96 -15.319 7.360 -3.473 624 HA3 GLY 96 HA1 GLY 96 -16.068 8.610 -4.454 625 H GLY 97 HN GLY 97 -13.610 10.253 -4.326 626 HA2 GLY 97 HA2 GLY 97 -11.414 8.881 -5.418 627 HA3 GLY 97 HA1 GLY 97 -12.427 9.459 -6.733 628 H1 ASP 195 HN ASP 195 -6.692 -21.208 -4.165 629 HA ASP 195 HA ASP 195 -9.012 -19.401 -4.237 630 HB2 ASP 195 HB2 ASP 195 -7.767 -19.820 -1.902 631 HB3 ASP 195 HB1 ASP 195 -6.678 -18.604 -2.562 632 H THR 196 HN THR 196 -7.670 -17.015 -4.146 633 HA THR 196 HA THR 196 -5.913 -17.157 -6.505 634 HB THR 196 HB THR 196 -6.889 -14.702 -6.815 635 HG1 THR 196 HG1 THR 196 -8.768 -16.080 -5.222 636 HG21 THR 196 HG21 THR 196 -8.528 -15.631 -8.400 637 HG22 THR 196 HG22 THR 196 -8.333 -17.220 -7.659 638 HG23 THR 196 HG23 THR 196 -6.978 -16.464 -8.499 639 H ALA 197 HN ALA 197 -3.986 -16.239 -6.304 640 HA ALA 197 HA ALA 197 -3.569 -14.337 -4.093 641 HB1 ALA 197 HB1 ALA 197 -1.225 -15.164 -4.008 642 HB2 ALA 197 HB2 ALA 197 -1.669 -16.428 -5.157 643 HB3 ALA 197 HB3 ALA 197 -2.421 -16.378 -3.561 644 H GLY 198 HN GLY 198 -2.752 -12.401 -4.629 645 HA2 GLY 198 HA2 GLY 198 -1.781 -12.075 -7.401 646 HA3 GLY 198 HA1 GLY 198 -2.739 -10.863 -6.563 647 H CYS 199 HN CYS 199 0.175 -11.225 -7.696 648 HA CYS 199 HA CYS 199 1.467 -9.977 -5.366 649 HB2 CYS 199 HB2 CYS 199 2.760 -11.652 -7.529 650 HB3 CYS 199 HB1 CYS 199 3.598 -10.888 -6.183 651 HG CYS 199 HG CYS 199 1.370 -12.558 -4.677 652 H ILE 200 HN ILE 200 2.121 -7.981 -5.611 653 HA ILE 200 HA ILE 200 2.527 -6.908 -8.320 654 HB ILE 200 HB ILE 200 0.474 -5.991 -7.613 655 HG12 ILE 200 HG12 ILE 200 2.431 -3.836 -6.821 656 HG13 ILE 200 HG11 ILE 200 2.243 -4.363 -8.492 657 HG21 ILE 200 HG21 ILE 200 0.545 -6.584 -5.282 658 HG22 ILE 200 HG22 ILE 200 0.167 -4.868 -5.442 659 HG23 ILE 200 HG23 ILE 200 1.791 -5.373 -4.980 660 HD11 ILE 200 HD11 ILE 200 0.120 -3.155 -6.735 661 HD12 ILE 200 HD12 ILE 200 -0.142 -3.761 -8.371 662 HD13 ILE 200 HD13 ILE 200 0.929 -2.387 -8.104 663 H VAL 201 HN VAL 201 4.349 -5.733 -8.663 664 HA VAL 201 HA VAL 201 6.062 -5.237 -6.319 665 HB VAL 201 HB VAL 201 6.930 -7.034 -7.793 666 HG11 VAL 201 HG11 VAL 201 7.757 -6.556 -9.995 667 HG12 VAL 201 HG12 VAL 201 7.284 -4.864 -9.850 668 HG13 VAL 201 HG13 VAL 201 6.050 -6.121 -9.917 669 HG21 VAL 201 HG21 VAL 201 8.533 -5.905 -6.479 670 HG22 VAL 201 HG22 VAL 201 8.518 -4.494 -7.535 671 HG23 VAL 201 HG23 VAL 201 9.221 -6.010 -8.100 672 H ILE 202 HN ILE 202 6.858 -3.227 -6.032 673 HA ILE 202 HA ILE 202 6.312 -1.234 -8.143 674 HB ILE 202 HB ILE 202 4.757 -0.776 -6.406 675 HG12 ILE 202 HG12 ILE 202 6.127 1.257 -5.197 676 HG13 ILE 202 HG11 ILE 202 7.115 0.974 -6.626 677 HG21 ILE 202 HG21 ILE 202 7.020 -1.039 -4.436 678 HG22 ILE 202 HG22 ILE 202 5.727 -2.208 -4.691 679 HG23 ILE 202 HG23 ILE 202 5.355 -0.609 -4.046 680 HD11 ILE 202 HD11 ILE 202 4.579 2.296 -6.378 681 HD12 ILE 202 HD12 ILE 202 4.506 0.986 -7.559 682 HD13 ILE 202 HD13 ILE 202 5.711 2.262 -7.730 683 H SEP 203 HN SEP 203 8.100 -0.112 -8.837 684 HA SEP 203 HA SEP 203 10.306 0.095 -6.905 685 HB2 SEP 203 HB1 SEP 203 10.774 0.057 -9.855 686 HB3 SEP 203 HB2 SEP 203 10.492 -1.462 -9.014 687 H ASP 204 HN ASP 204 10.463 2.136 -6.280 688 HA ASP 204 HA ASP 204 10.565 4.164 -8.356 689 HB2 ASP 204 HB2 ASP 204 8.294 4.052 -6.993 690 HB3 ASP 204 HB1 ASP 204 9.202 5.084 -5.923 691 H SEP 205 HN SEP 205 12.053 5.716 -8.041 692 HA SEP 205 HA SEP 205 13.485 5.639 -5.485 693 HB2 SEP 205 HB1 SEP 205 15.068 6.114 -7.887 694 HB3 SEP 205 HB2 SEP 205 14.426 4.484 -7.697 695 H GLU 206 HN GLU 206 14.098 7.611 -4.644 696 HA GLU 206 HA GLU 206 13.189 9.980 -6.086 697 HB2 GLU 206 HB2 GLU 206 12.638 9.787 -3.710 698 HB3 GLU 206 HB1 GLU 206 14.348 9.699 -3.323 699 HG2 GLU 206 HG2 GLU 206 13.307 11.909 -2.917 700 HG3 GLU 206 HG1 GLU 206 14.713 11.941 -3.979 Start of MODEL 17 1 H1 TYR 21 HN TYR 21 13.648 -7.061 0.195 2 HA TYR 21 HA TYR 21 11.927 -4.898 -0.729 3 HB2 TYR 21 HB2 TYR 21 11.765 -7.746 -1.694 4 HB3 TYR 21 HB1 TYR 21 10.349 -6.701 -1.680 5 HD1 TYR 21 HD1 TYR 21 10.037 -5.039 -3.341 6 HD2 TYR 21 HD2 TYR 21 13.735 -7.129 -3.104 7 HE1 TYR 21 HE1 TYR 21 10.702 -4.100 -5.513 8 HE2 TYR 21 HE2 TYR 21 14.408 -6.198 -5.276 9 HH TYR 21 HH TYR 21 12.532 -3.720 -6.878 10 H ILE 22 HN ILE 22 9.955 -4.787 0.338 11 HA ILE 22 HA ILE 22 9.704 -6.539 2.704 12 HB ILE 22 HB ILE 22 8.821 -3.655 2.440 13 HG12 ILE 22 HG12 ILE 22 11.270 -3.840 2.552 14 HG13 ILE 22 HG11 ILE 22 10.617 -3.123 4.020 15 HG21 ILE 22 HG21 ILE 22 8.811 -5.487 4.832 16 HG22 ILE 22 HG22 ILE 22 7.396 -4.958 3.922 17 HG23 ILE 22 HG23 ILE 22 8.351 -3.785 4.829 18 HD11 ILE 22 HD11 ILE 22 11.592 -5.945 3.665 19 HD12 ILE 22 HD12 ILE 22 10.812 -5.330 5.122 20 HD13 ILE 22 HD13 ILE 22 12.357 -4.659 4.599 21 H LYS 23 HN LYS 23 8.040 -7.904 2.419 22 HA LYS 23 HA LYS 23 5.884 -7.161 0.616 23 HB2 LYS 23 HB2 LYS 23 6.910 -9.413 0.503 24 HB3 LYS 23 HB1 LYS 23 6.307 -9.742 2.123 25 HG2 LYS 23 HG2 LYS 23 4.026 -8.987 0.876 26 HG3 LYS 23 HG1 LYS 23 4.905 -9.738 -0.455 27 HD2 LYS 23 HD2 LYS 23 3.567 -11.419 0.612 28 HD3 LYS 23 HD1 LYS 23 5.262 -11.737 0.984 29 HE2 LYS 23 HE2 LYS 23 3.875 -10.008 2.912 30 HE3 LYS 23 HE1 LYS 23 3.260 -11.656 2.823 31 HZ1 LYS 23 HZ1 LYS 23 4.910 -11.825 4.396 32 HZ2 LYS 23 HZ2 LYS 23 5.938 -10.710 3.622 33 HZ3 LYS 23 HZ3 LYS 23 5.747 -12.271 2.993 34 H LEU 24 HN LEU 24 4.119 -6.205 1.273 35 HA LEU 24 HA LEU 24 3.361 -6.379 4.107 36 HB2 LEU 24 HB2 LEU 24 2.259 -4.487 2.035 37 HB3 LEU 24 HB1 LEU 24 2.116 -4.365 3.777 38 HG LEU 24 HG LEU 24 4.719 -4.096 2.271 39 HD11 LEU 24 HD11 LEU 24 2.851 -1.990 3.341 40 HD12 LEU 24 HD12 LEU 24 3.282 -2.273 1.654 41 HD13 LEU 24 HD13 LEU 24 4.499 -1.687 2.789 42 HD21 LEU 24 HD21 LEU 24 5.529 -3.157 4.390 43 HD22 LEU 24 HD22 LEU 24 5.010 -4.832 4.564 44 HD23 LEU 24 HD23 LEU 24 3.976 -3.525 5.136 45 H LYS 25 HN LYS 25 1.505 -7.354 4.715 46 HA LYS 25 HA LYS 25 -0.007 -8.741 2.652 47 HB2 LYS 25 HB2 LYS 25 -0.113 -8.882 5.670 48 HB3 LYS 25 HB1 LYS 25 -1.141 -9.828 4.607 49 HG2 LYS 25 HG2 LYS 25 1.241 -10.499 3.594 50 HG3 LYS 25 HG1 LYS 25 1.724 -10.144 5.253 51 HD2 LYS 25 HD2 LYS 25 1.203 -12.463 5.171 52 HD3 LYS 25 HD1 LYS 25 -0.139 -11.672 6.003 53 HE2 LYS 25 HE2 LYS 25 -1.347 -11.617 3.815 54 HE3 LYS 25 HE1 LYS 25 -0.049 -12.592 3.133 55 HZ1 LYS 25 HZ1 LYS 25 -1.664 -13.439 5.470 56 HZ2 LYS 25 HZ2 LYS 25 -0.599 -14.384 4.554 57 HZ3 LYS 25 HZ3 LYS 25 -2.054 -13.842 3.873 58 H VAL 26 HN VAL 26 -1.547 -7.600 1.692 59 HA VAL 26 HA VAL 26 -3.167 -5.751 3.303 60 HB VAL 26 HB VAL 26 -3.420 -5.938 0.327 61 HG11 VAL 26 HG11 VAL 26 -4.972 -4.539 1.573 62 HG12 VAL 26 HG12 VAL 26 -3.937 -3.566 0.529 63 HG13 VAL 26 HG13 VAL 26 -3.620 -3.641 2.262 64 HG21 VAL 26 HG21 VAL 26 -1.230 -4.427 1.744 65 HG22 VAL 26 HG22 VAL 26 -1.629 -4.292 0.031 66 HG23 VAL 26 HG23 VAL 26 -1.015 -5.815 0.676 67 H ILE 27 HN ILE 27 -4.620 -7.099 4.267 68 HA ILE 27 HA ILE 27 -5.990 -9.152 2.773 69 HB ILE 27 HB ILE 27 -6.510 -8.156 5.580 70 HG12 ILE 27 HG12 ILE 27 -4.250 -9.096 5.326 71 HG13 ILE 27 HG11 ILE 27 -5.265 -10.138 6.318 72 HG21 ILE 27 HG21 ILE 27 -7.737 -10.239 5.896 73 HG22 ILE 27 HG22 ILE 27 -7.441 -10.680 4.215 74 HG23 ILE 27 HG23 ILE 27 -8.444 -9.281 4.596 75 HD11 ILE 27 HD11 ILE 27 -4.533 -10.569 3.432 76 HD12 ILE 27 HD12 ILE 27 -5.631 -11.589 4.360 77 HD13 ILE 27 HD13 ILE 27 -3.933 -11.470 4.823 78 H GLY 28 HN GLY 28 -7.463 -8.535 1.339 79 HA2 GLY 28 HA2 GLY 28 -8.955 -6.110 1.556 80 HA3 GLY 28 HA1 GLY 28 -9.208 -7.384 0.371 81 H GLN 29 HN GLN 29 -11.284 -5.950 1.626 82 HA GLN 29 HA GLN 29 -12.417 -7.317 3.819 83 HB2 GLN 29 HB2 GLN 29 -13.015 -5.009 2.950 84 HB3 GLN 29 HB1 GLN 29 -13.938 -5.812 1.689 85 HG2 GLN 29 HG2 GLN 29 -15.399 -5.113 3.471 86 HG3 GLN 29 HG1 GLN 29 -15.335 -6.874 3.404 87 HE21 GLN 29 HE21 GLN 29 -14.516 -8.000 5.123 88 HE22 GLN 29 HE22 GLN 29 -14.066 -7.258 6.621 89 H ASP 30 HN ASP 30 -12.181 -8.117 0.508 90 HA ASP 30 HA ASP 30 -14.404 -10.005 0.608 91 HB2 ASP 30 HB2 ASP 30 -14.084 -10.286 -1.764 92 HB3 ASP 30 HB1 ASP 30 -14.068 -8.564 -1.401 93 H SER 31 HN SER 31 -11.486 -10.089 1.818 94 HA SER 31 HA SER 31 -10.097 -11.715 2.541 95 HB2 SER 31 HB2 SER 31 -12.063 -13.650 1.302 96 HB3 SER 31 HB1 SER 31 -10.821 -14.042 2.491 97 HG SER 31 HG SER 31 -11.905 -12.886 4.017 98 H SER 32 HN SER 32 -9.466 -10.479 0.125 99 HA SER 32 HA SER 32 -8.369 -12.617 -1.567 100 HB2 SER 32 HB2 SER 32 -7.741 -10.576 -3.019 101 HB3 SER 32 HB1 SER 32 -9.452 -10.983 -2.887 102 HG SER 32 HG SER 32 -9.822 -9.196 -1.783 103 H GLU 33 HN GLU 33 -6.220 -13.049 -1.615 104 HA GLU 33 HA GLU 33 -4.541 -11.779 0.361 105 HB2 GLU 33 HB2 GLU 33 -4.248 -14.127 -1.476 106 HB3 GLU 33 HB1 GLU 33 -2.829 -13.444 -0.696 107 HG2 GLU 33 HG2 GLU 33 -5.099 -13.993 1.085 108 HG3 GLU 33 HG1 GLU 33 -4.346 -15.407 0.349 109 H ILE 34 HN ILE 34 -3.941 -9.757 -0.250 110 HA ILE 34 HA ILE 34 -2.766 -9.419 -2.922 111 HB ILE 34 HB ILE 34 -3.353 -7.208 -0.968 112 HG12 ILE 34 HG12 ILE 34 -5.450 -8.433 -1.414 113 HG13 ILE 34 HG11 ILE 34 -5.474 -6.817 -2.109 114 HG21 ILE 34 HG21 ILE 34 -2.908 -7.277 -3.942 115 HG22 ILE 34 HG22 ILE 34 -1.849 -6.577 -2.718 116 HG23 ILE 34 HG23 ILE 34 -3.420 -5.847 -3.046 117 HD11 ILE 34 HD11 ILE 34 -5.237 -9.453 -3.493 118 HD12 ILE 34 HD12 ILE 34 -4.734 -7.960 -4.279 119 HD13 ILE 34 HD13 ILE 34 -6.405 -8.159 -3.755 120 H HIS 35 HN HIS 35 -0.695 -10.070 -2.794 121 HA HIS 35 HA HIS 35 0.931 -9.300 -0.494 122 HB2 HIS 35 HB2 HIS 35 1.817 -10.939 -2.874 123 HB3 HIS 35 HB1 HIS 35 2.560 -10.860 -1.281 124 HD2 HIS 35 HD2 HIS 35 0.469 -11.818 0.751 125 HE1 HIS 35 HE1 HIS 35 -0.628 -14.821 -2.022 126 HE2 HIS 35 HE2 HIS 35 -0.769 -14.080 0.399 127 H PHE 36 HN PHE 36 1.207 -7.112 -0.817 128 HA PHE 36 HA PHE 36 2.447 -6.241 -3.323 129 HB2 PHE 36 HB2 PHE 36 0.492 -5.052 -1.905 130 HB3 PHE 36 HB1 PHE 36 1.887 -4.304 -1.134 131 HD1 PHE 36 HD1 PHE 36 3.733 -3.968 -3.386 132 HD2 PHE 36 HD2 PHE 36 -0.480 -3.414 -3.183 133 HE1 PHE 36 HE1 PHE 36 3.859 -2.353 -5.237 134 HE2 PHE 36 HE2 PHE 36 -0.362 -1.796 -5.034 135 HZ PHE 36 HZ PHE 36 1.810 -1.265 -6.064 136 H LYS 37 HN LYS 37 4.611 -6.246 -3.407 137 HA LYS 37 HA LYS 37 6.046 -6.009 -0.865 138 HB2 LYS 37 HB2 LYS 37 8.015 -6.926 -2.160 139 HB3 LYS 37 HB1 LYS 37 6.685 -8.034 -1.874 140 HG2 LYS 37 HG2 LYS 37 5.910 -7.266 -4.243 141 HG3 LYS 37 HG1 LYS 37 7.598 -6.781 -4.413 142 HD2 LYS 37 HD2 LYS 37 6.563 -9.539 -3.761 143 HD3 LYS 37 HD1 LYS 37 7.331 -9.023 -5.263 144 HE2 LYS 37 HE2 LYS 37 9.428 -8.725 -4.189 145 HE3 LYS 37 HE1 LYS 37 8.708 -8.887 -2.588 146 HZ1 LYS 37 HZ1 LYS 37 9.887 -10.889 -3.295 147 HZ2 LYS 37 HZ2 LYS 37 8.843 -11.049 -4.615 148 HZ3 LYS 37 HZ3 LYS 37 8.242 -11.192 -3.041 149 H VAL 38 HN VAL 38 7.008 -4.239 -0.381 150 HA VAL 38 HA VAL 38 7.502 -2.272 -2.492 151 HB VAL 38 HB VAL 38 7.550 -0.577 -0.747 152 HG11 VAL 38 HG11 VAL 38 5.171 -0.892 0.108 153 HG12 VAL 38 HG12 VAL 38 5.182 -2.427 -0.763 154 HG13 VAL 38 HG13 VAL 38 5.406 -0.914 -1.640 155 HG21 VAL 38 HG21 VAL 38 8.510 -1.934 1.059 156 HG22 VAL 38 HG22 VAL 38 6.995 -2.826 1.195 157 HG23 VAL 38 HG23 VAL 38 7.042 -1.106 1.579 158 H LYS 39 HN LYS 39 9.361 -0.702 -1.653 159 HA LYS 39 HA LYS 39 11.675 -2.280 -0.787 160 HB2 LYS 39 HB2 LYS 39 11.413 -2.039 -3.348 161 HB3 LYS 39 HB1 LYS 39 11.800 -0.347 -3.097 162 HG2 LYS 39 HG2 LYS 39 13.974 -0.865 -2.336 163 HG3 LYS 39 HG1 LYS 39 13.591 -2.586 -2.213 164 HD2 LYS 39 HD2 LYS 39 14.026 -2.934 -4.376 165 HD3 LYS 39 HD1 LYS 39 13.075 -1.533 -4.868 166 HE2 LYS 39 HE2 LYS 39 14.987 -0.080 -4.294 167 HE3 LYS 39 HE1 LYS 39 15.930 -1.516 -3.897 168 HZ1 LYS 39 HZ1 LYS 39 14.821 -0.791 -6.559 169 HZ2 LYS 39 HZ2 LYS 39 15.574 -2.269 -6.206 170 HZ3 LYS 39 HZ3 LYS 39 16.455 -0.831 -6.107 171 H MET 40 HN MET 40 13.443 -0.863 -0.006 172 HA MET 40 HA MET 40 12.428 1.212 1.626 173 HB2 MET 40 HB2 MET 40 14.507 -0.301 1.955 174 HB3 MET 40 HB1 MET 40 15.346 0.916 1.002 175 HG2 MET 40 HG2 MET 40 15.579 1.247 3.427 176 HG3 MET 40 HG1 MET 40 14.831 2.618 2.610 177 HE1 MET 40 HE1 MET 40 13.052 -0.829 3.556 178 HE2 MET 40 HE2 MET 40 12.530 -0.447 5.197 179 HE3 MET 40 HE3 MET 40 14.248 -0.546 4.819 180 H THR 41 HN THR 41 13.911 1.234 -1.534 181 HA THR 41 HA THR 41 14.435 4.059 -1.545 182 HB THR 41 HB THR 41 15.428 2.039 -3.042 183 HG1 THR 41 HG1 THR 41 15.508 4.324 -4.519 184 HG21 THR 41 HG21 THR 41 13.698 1.497 -4.488 185 HG22 THR 41 HG22 THR 41 14.585 2.681 -5.443 186 HG23 THR 41 HG23 THR 41 13.096 3.159 -4.606 187 H THR 42 HN THR 42 11.795 2.001 -2.286 188 HA THR 42 HA THR 42 10.466 3.778 -4.086 189 HB THR 42 HB THR 42 9.101 1.548 -2.641 190 HG1 THR 42 HG1 THR 42 11.233 1.394 -4.506 191 HG21 THR 42 HG21 THR 42 9.078 2.585 -5.473 192 HG22 THR 42 HG22 THR 42 7.811 2.821 -4.254 193 HG23 THR 42 HG23 THR 42 8.131 1.209 -4.897 194 H HIS 43 HN HIS 43 9.659 5.596 -3.435 195 HA HIS 43 HA HIS 43 8.822 6.165 -0.788 196 HB2 HIS 43 HB2 HIS 43 7.907 7.679 -3.234 197 HB3 HIS 43 HB1 HIS 43 8.130 8.287 -1.606 198 HD2 HIS 43 HD2 HIS 43 11.393 6.665 -2.071 199 HE1 HIS 43 HE1 HIS 43 11.757 10.350 -4.084 200 HE2 HIS 43 HE2 HIS 43 13.010 8.450 -2.978 201 H LEU 44 HN LEU 44 6.677 6.338 0.028 202 HA LEU 44 HA LEU 44 4.879 4.402 -1.024 203 HB2 LEU 44 HB2 LEU 44 4.561 6.447 1.161 204 HB3 LEU 44 HB1 LEU 44 3.307 5.298 0.734 205 HG LEU 44 HG LEU 44 6.052 4.632 1.808 206 HD11 LEU 44 HD11 LEU 44 4.379 5.547 3.421 207 HD12 LEU 44 HD12 LEU 44 4.923 3.909 3.779 208 HD13 LEU 44 HD13 LEU 44 3.344 4.171 3.039 209 HD21 LEU 44 HD21 LEU 44 3.811 2.870 0.843 210 HD22 LEU 44 HD22 LEU 44 5.101 2.301 1.903 211 HD23 LEU 44 HD23 LEU 44 5.487 2.900 0.290 212 H LYS 45 HN LYS 45 5.462 7.545 -1.932 213 HA LYS 45 HA LYS 45 2.950 8.597 -2.505 214 HB2 LYS 45 HB2 LYS 45 4.901 9.978 -2.673 215 HB3 LYS 45 HB1 LYS 45 5.612 8.929 -3.891 216 HG2 LYS 45 HG2 LYS 45 4.832 10.841 -5.023 217 HG3 LYS 45 HG1 LYS 45 3.688 9.550 -5.390 218 HD2 LYS 45 HD2 LYS 45 2.181 10.409 -3.655 219 HD3 LYS 45 HD1 LYS 45 3.323 11.711 -3.317 220 HE2 LYS 45 HE2 LYS 45 3.084 12.431 -5.696 221 HE3 LYS 45 HE1 LYS 45 1.805 11.231 -5.876 222 HZ1 LYS 45 HZ1 LYS 45 1.807 13.583 -4.069 223 HZ2 LYS 45 HZ2 LYS 45 0.627 12.366 -4.034 224 HZ3 LYS 45 HZ3 LYS 45 0.812 13.327 -5.416 225 H LYS 46 HN LYS 46 5.103 6.701 -4.624 226 HA LYS 46 HA LYS 46 3.196 6.558 -6.742 227 HB2 LYS 46 HB2 LYS 46 5.668 6.410 -7.046 228 HB3 LYS 46 HB1 LYS 46 5.629 4.824 -6.290 229 HG2 LYS 46 HG2 LYS 46 4.202 3.993 -8.085 230 HG3 LYS 46 HG1 LYS 46 4.218 5.588 -8.841 231 HD2 LYS 46 HD2 LYS 46 6.894 4.957 -8.411 232 HD3 LYS 46 HD1 LYS 46 6.169 3.467 -9.001 233 HE2 LYS 46 HE2 LYS 46 6.824 4.544 -10.945 234 HE3 LYS 46 HE1 LYS 46 5.122 4.986 -10.806 235 HZ1 LYS 46 HZ1 LYS 46 5.682 7.111 -10.020 236 HZ2 LYS 46 HZ2 LYS 46 6.727 6.844 -11.324 237 HZ3 LYS 46 HZ3 LYS 46 7.296 6.685 -9.735 238 H LEU 47 HN LEU 47 3.729 4.739 -3.879 239 HA LEU 47 HA LEU 47 2.678 2.257 -4.691 240 HB2 LEU 47 HB2 LEU 47 3.312 3.581 -2.148 241 HB3 LEU 47 HB1 LEU 47 2.027 2.396 -2.044 242 HG LEU 47 HG LEU 47 3.978 1.212 -1.518 243 HD11 LEU 47 HD11 LEU 47 2.463 0.240 -3.319 244 HD12 LEU 47 HD12 LEU 47 4.069 -0.461 -3.148 245 HD13 LEU 47 HD13 LEU 47 3.733 0.672 -4.454 246 HD21 LEU 47 HD21 LEU 47 5.310 2.375 -3.960 247 HD22 LEU 47 HD22 LEU 47 6.039 1.311 -2.757 248 HD23 LEU 47 HD23 LEU 47 5.557 2.948 -2.312 249 H LYS 48 HN LYS 48 1.153 5.034 -3.119 250 HA LYS 48 HA LYS 48 -1.395 3.977 -2.797 251 HB2 LYS 48 HB2 LYS 48 -0.613 6.844 -3.325 252 HB3 LYS 48 HB1 LYS 48 -2.160 6.315 -2.680 253 HG2 LYS 48 HG2 LYS 48 -0.985 5.359 -0.732 254 HG3 LYS 48 HG1 LYS 48 0.533 5.994 -1.369 255 HD2 LYS 48 HD2 LYS 48 -0.237 7.543 0.259 256 HD3 LYS 48 HD1 LYS 48 -0.521 8.276 -1.320 257 HE2 LYS 48 HE2 LYS 48 -2.873 7.470 -1.200 258 HE3 LYS 48 HE1 LYS 48 -2.552 6.906 0.438 259 HZ1 LYS 48 HZ1 LYS 48 -3.617 9.178 0.161 260 HZ2 LYS 48 HZ2 LYS 48 -2.092 9.723 -0.345 261 HZ3 LYS 48 HZ3 LYS 48 -2.293 9.073 1.207 262 H GLU 49 HN GLU 49 -0.120 5.860 -5.540 263 HA GLU 49 HA GLU 49 -2.557 5.789 -6.995 264 HB2 GLU 49 HB2 GLU 49 -0.976 6.362 -8.963 265 HB3 GLU 49 HB1 GLU 49 -1.167 7.523 -7.658 266 HG2 GLU 49 HG2 GLU 49 0.930 7.000 -6.742 267 HG3 GLU 49 HG1 GLU 49 1.071 5.531 -7.705 268 H SER 50 HN SER 50 0.353 3.772 -7.081 269 HA SER 50 HA SER 50 -0.335 2.273 -9.349 270 HB2 SER 50 HB2 SER 50 1.365 1.502 -6.973 271 HB3 SER 50 HB1 SER 50 1.300 0.618 -8.500 272 HG SER 50 HG SER 50 2.356 3.166 -7.945 273 H TYR 51 HN TYR 51 -1.115 1.793 -5.925 274 HA TYR 51 HA TYR 51 -2.298 -0.751 -6.233 275 HB2 TYR 51 HB2 TYR 51 -1.645 0.314 -4.042 276 HB3 TYR 51 HB1 TYR 51 -3.069 1.338 -4.188 277 HD1 TYR 51 HD1 TYR 51 -1.877 -2.087 -3.630 278 HD2 TYR 51 HD2 TYR 51 -5.285 0.450 -3.794 279 HE1 TYR 51 HE1 TYR 51 -3.224 -3.843 -2.567 280 HE2 TYR 51 HE2 TYR 51 -6.646 -1.301 -2.732 281 HH TYR 51 HH TYR 51 -6.628 -3.723 -2.433 282 H CYS 52 HN CYS 52 -3.580 2.531 -6.439 283 HA CYS 52 HA CYS 52 -6.295 1.860 -6.735 284 HB2 CYS 52 HB2 CYS 52 -4.817 4.257 -7.848 285 HB3 CYS 52 HB1 CYS 52 -6.562 4.121 -7.662 286 HG CYS 52 HG CYS 52 -4.256 4.260 -5.132 287 H GLN 53 HN GLN 53 -3.707 2.337 -9.104 288 HA GLN 53 HA GLN 53 -5.283 2.019 -11.417 289 HB2 GLN 53 HB2 GLN 53 -2.340 1.532 -10.940 290 HB3 GLN 53 HB1 GLN 53 -3.091 1.506 -12.530 291 HG2 GLN 53 HG2 GLN 53 -3.583 3.804 -12.449 292 HG3 GLN 53 HG1 GLN 53 -3.270 3.889 -10.717 293 HE21 GLN 53 HE21 GLN 53 -2.140 5.406 -12.968 294 HE22 GLN 53 HE22 GLN 53 -0.426 5.201 -12.852 295 H ARG 54 HN ARG 54 -3.705 -0.277 -9.297 296 HA ARG 54 HA ARG 54 -3.950 -2.559 -10.961 297 HB2 ARG 54 HB2 ARG 54 -2.393 -2.458 -9.062 298 HB3 ARG 54 HB1 ARG 54 -3.747 -2.363 -7.946 299 HG2 ARG 54 HG2 ARG 54 -3.037 -4.586 -7.851 300 HG3 ARG 54 HG1 ARG 54 -4.468 -4.619 -8.882 301 HD2 ARG 54 HD2 ARG 54 -3.100 -4.712 -10.860 302 HD3 ARG 54 HD1 ARG 54 -1.636 -4.499 -9.902 303 HE ARG 54 HE ARG 54 -3.308 -6.847 -9.392 304 HH11 ARG 54 HH11 ARG 54 -0.368 -5.484 -10.699 305 HH12 ARG 54 HH12 ARG 54 0.451 -7.011 -10.798 306 HH21 ARG 54 HH21 ARG 54 -2.236 -8.874 -9.533 307 HH22 ARG 54 HH22 ARG 54 -0.609 -8.932 -10.142 308 H GLN 55 HN GLN 55 -6.046 -1.066 -8.560 309 HA GLN 55 HA GLN 55 -7.980 -3.215 -8.698 310 HB2 GLN 55 HB2 GLN 55 -8.220 -0.519 -7.355 311 HB3 GLN 55 HB1 GLN 55 -9.269 -1.906 -7.102 312 HG2 GLN 55 HG2 GLN 55 -6.347 -1.739 -6.391 313 HG3 GLN 55 HG1 GLN 55 -7.701 -1.637 -5.267 314 HE21 GLN 55 HE21 GLN 55 -8.862 -3.499 -4.766 315 HE22 GLN 55 HE22 GLN 55 -8.252 -5.079 -5.115 316 H GLY 56 HN GLY 56 -7.330 -0.304 -10.352 317 HA2 GLY 56 HA2 GLY 56 -8.346 0.373 -12.351 318 HA3 GLY 56 HA1 GLY 56 -9.702 -0.685 -11.996 319 H VAL 57 HN VAL 57 -8.337 1.724 -9.827 320 HA VAL 57 HA VAL 57 -10.770 3.349 -10.166 321 HB VAL 57 HB VAL 57 -10.586 3.823 -7.656 322 HG11 VAL 57 HG11 VAL 57 -11.914 1.872 -7.059 323 HG12 VAL 57 HG12 VAL 57 -11.361 1.035 -8.509 324 HG13 VAL 57 HG13 VAL 57 -12.374 2.471 -8.653 325 HG21 VAL 57 HG21 VAL 57 -8.435 2.958 -7.146 326 HG22 VAL 57 HG22 VAL 57 -8.827 1.389 -7.847 327 HG23 VAL 57 HG23 VAL 57 -9.607 1.904 -6.352 328 HA PRO 58 HA PRO 58 -8.076 6.840 -10.409 329 HB2 PRO 58 HB2 PRO 58 -9.408 8.747 -8.981 330 HB3 PRO 58 HB1 PRO 58 -9.893 8.229 -10.602 331 HG2 PRO 58 HG2 PRO 58 -11.014 7.420 -7.960 332 HG3 PRO 58 HG1 PRO 58 -11.857 7.779 -9.480 333 HD2 PRO 58 HD2 PRO 58 -11.417 5.253 -8.650 334 HD3 PRO 58 HD1 PRO 58 -11.445 5.701 -10.365 335 H MET 59 HN MET 59 -6.749 8.363 -9.126 336 HA MET 59 HA MET 59 -5.607 7.058 -6.879 337 HB2 MET 59 HB2 MET 59 -4.389 8.541 -8.514 338 HB3 MET 59 HB1 MET 59 -5.155 9.919 -7.736 339 HG2 MET 59 HG2 MET 59 -4.083 9.295 -5.618 340 HG3 MET 59 HG1 MET 59 -3.289 7.949 -6.432 341 HE1 MET 59 HE1 MET 59 -1.409 9.996 -4.846 342 HE2 MET 59 HE2 MET 59 -0.150 10.072 -6.078 343 HE3 MET 59 HE3 MET 59 -0.982 8.551 -5.761 344 H ASN 60 HN ASN 60 -5.671 7.527 -4.736 345 HA ASN 60 HA ASN 60 -6.355 8.327 -2.734 346 HB2 ASN 60 HB2 ASN 60 -5.899 10.579 -3.861 347 HB3 ASN 60 HB1 ASN 60 -7.639 10.682 -4.109 348 HD21 ASN 60 HD21 ASN 60 -7.909 12.441 -2.790 349 HD22 ASN 60 HD22 ASN 60 -7.740 12.366 -1.071 350 H SER 61 HN SER 61 -8.197 6.876 -4.784 351 HA SER 61 HA SER 61 -10.834 7.566 -3.864 352 HB2 SER 61 HB2 SER 61 -11.489 5.466 -5.099 353 HB3 SER 61 HB1 SER 61 -10.639 6.656 -6.084 354 HG SER 61 HG SER 61 -9.007 5.334 -6.301 355 H LEU 62 HN LEU 62 -8.342 5.308 -3.042 356 HA LEU 62 HA LEU 62 -10.042 4.150 -0.948 357 HB2 LEU 62 HB2 LEU 62 -7.493 3.007 -2.091 358 HB3 LEU 62 HB1 LEU 62 -8.596 2.217 -0.981 359 HG LEU 62 HG LEU 62 -9.283 2.976 -3.824 360 HD11 LEU 62 HD11 LEU 62 -9.081 0.620 -4.339 361 HD12 LEU 62 HD12 LEU 62 -8.604 0.272 -2.677 362 HD13 LEU 62 HD13 LEU 62 -7.552 1.237 -3.714 363 HD21 LEU 62 HD21 LEU 62 -10.750 1.397 -1.718 364 HD22 LEU 62 HD22 LEU 62 -11.193 1.420 -3.425 365 HD23 LEU 62 HD23 LEU 62 -11.256 2.906 -2.477 366 H ARG 63 HN ARG 63 -9.227 3.977 1.139 367 HA ARG 63 HA ARG 63 -6.944 5.740 1.703 368 HB2 ARG 63 HB2 ARG 63 -7.919 5.967 3.985 369 HB3 ARG 63 HB1 ARG 63 -8.955 6.594 2.712 370 HG2 ARG 63 HG2 ARG 63 -10.352 4.624 2.828 371 HG3 ARG 63 HG1 ARG 63 -9.274 3.900 4.023 372 HD2 ARG 63 HD2 ARG 63 -9.794 5.663 5.605 373 HD3 ARG 63 HD1 ARG 63 -10.796 6.478 4.405 374 HE ARG 63 HE ARG 63 -11.427 3.901 5.691 375 HH11 ARG 63 HH11 ARG 63 -12.425 6.801 3.984 376 HH12 ARG 63 HH12 ARG 63 -14.120 6.452 4.150 377 HH21 ARG 63 HH21 ARG 63 -14.819 4.546 5.215 378 HH22 ARG 63 HH22 ARG 63 -13.657 3.437 5.872 379 H PHE 64 HN PHE 64 -5.157 4.795 2.321 380 HA PHE 64 HA PHE 64 -5.174 2.018 3.177 381 HB2 PHE 64 HB2 PHE 64 -2.806 3.859 2.774 382 HB3 PHE 64 HB1 PHE 64 -2.771 2.104 2.903 383 HD1 PHE 64 HD1 PHE 64 -3.475 4.949 0.742 384 HD2 PHE 64 HD2 PHE 64 -3.507 0.706 1.057 385 HE1 PHE 64 HE1 PHE 64 -3.706 4.776 -1.700 386 HE2 PHE 64 HE2 PHE 64 -3.738 0.523 -1.385 387 HZ PHE 64 HZ PHE 64 -3.838 2.561 -2.767 388 H LEU 65 HN LEU 65 -5.265 1.498 5.245 389 HA LEU 65 HA LEU 65 -4.504 3.533 7.231 390 HB2 LEU 65 HB2 LEU 65 -6.367 1.177 7.546 391 HB3 LEU 65 HB1 LEU 65 -6.017 2.382 8.771 392 HG LEU 65 HG LEU 65 -7.349 2.990 6.132 393 HD11 LEU 65 HD11 LEU 65 -8.582 2.657 8.859 394 HD12 LEU 65 HD12 LEU 65 -8.752 1.540 7.507 395 HD13 LEU 65 HD13 LEU 65 -9.418 3.170 7.395 396 HD21 LEU 65 HD21 LEU 65 -7.947 5.105 7.274 397 HD22 LEU 65 HD22 LEU 65 -6.213 4.910 7.027 398 HD23 LEU 65 HD23 LEU 65 -6.911 4.631 8.622 399 H PHE 66 HN PHE 66 -2.763 3.194 8.364 400 HA PHE 66 HA PHE 66 -1.862 0.442 8.875 401 HB2 PHE 66 HB2 PHE 66 -0.486 1.371 7.072 402 HB3 PHE 66 HB1 PHE 66 -0.132 2.787 8.054 403 HD1 PHE 66 HD1 PHE 66 0.014 -0.921 8.524 404 HD2 PHE 66 HD2 PHE 66 1.994 2.831 8.886 405 HE1 PHE 66 HE1 PHE 66 1.999 -2.055 9.434 406 HE2 PHE 66 HE2 PHE 66 3.978 1.698 9.796 407 HZ PHE 66 HZ PHE 66 3.981 -0.744 10.068 408 H GLU 67 HN GLU 67 -1.812 0.105 10.975 409 HA GLU 67 HA GLU 67 -1.664 0.377 13.214 410 HB2 GLU 67 HB2 GLU 67 0.185 2.645 12.455 411 HB3 GLU 67 HB1 GLU 67 0.012 1.987 14.077 412 HG2 GLU 67 HG2 GLU 67 0.959 0.449 11.669 413 HG3 GLU 67 HG1 GLU 67 1.996 1.136 12.917 414 H GLY 68 HN GLY 68 -3.717 1.816 11.660 415 HA2 GLY 68 HA2 GLY 68 -5.604 2.906 12.561 416 HA3 GLY 68 HA1 GLY 68 -4.591 3.562 13.835 417 H GLN 69 HN GLN 69 -2.635 4.308 11.555 418 HA GLN 69 HA GLN 69 -3.885 6.912 11.073 419 HB2 GLN 69 HB2 GLN 69 -1.067 6.250 10.300 420 HB3 GLN 69 HB1 GLN 69 -1.753 7.797 10.772 421 HG2 GLN 69 HG2 GLN 69 -2.062 6.713 13.080 422 HG3 GLN 69 HG1 GLN 69 -0.917 5.505 12.497 423 HE21 GLN 69 HE21 GLN 69 -0.561 7.329 14.670 424 HE22 GLN 69 HE22 GLN 69 0.792 8.329 14.280 425 H ARG 70 HN ARG 70 -3.600 7.925 8.937 426 HA ARG 70 HA ARG 70 -3.998 5.922 6.835 427 HB2 ARG 70 HB2 ARG 70 -5.002 7.767 5.525 428 HB3 ARG 70 HB1 ARG 70 -5.828 7.491 7.049 429 HG2 ARG 70 HG2 ARG 70 -4.548 9.402 8.007 430 HG3 ARG 70 HG1 ARG 70 -3.922 9.722 6.392 431 HD2 ARG 70 HD2 ARG 70 -6.823 9.725 7.213 432 HD3 ARG 70 HD1 ARG 70 -5.837 11.149 6.894 433 HE ARG 70 HE ARG 70 -5.622 10.046 4.557 434 HH11 ARG 70 HH11 ARG 70 -9.580 9.924 5.274 435 HH12 ARG 70 HH12 ARG 70 -8.469 10.021 6.602 436 HH21 ARG 70 HH21 ARG 70 -8.804 9.863 3.111 437 HH22 ARG 70 HH22 ARG 70 -7.087 9.918 2.806 438 H ILE 71 HN ILE 71 -2.489 5.554 5.391 439 HA ILE 71 HA ILE 71 0.044 6.720 5.429 440 HB ILE 71 HB ILE 71 -1.308 5.233 3.172 441 HG12 ILE 71 HG12 ILE 71 -1.132 3.973 5.295 442 HG13 ILE 71 HG11 ILE 71 -0.137 3.274 4.023 443 HG21 ILE 71 HG21 ILE 71 0.600 6.538 2.366 444 HG22 ILE 71 HG22 ILE 71 0.922 4.806 2.297 445 HG23 ILE 71 HG23 ILE 71 1.628 5.783 3.584 446 HD11 ILE 71 HD11 ILE 71 0.833 5.005 6.285 447 HD12 ILE 71 HD12 ILE 71 1.840 4.342 4.998 448 HD13 ILE 71 HD13 ILE 71 1.036 3.261 6.137 449 H ALA 72 HN ALA 72 0.779 8.589 4.737 450 HA ALA 72 HA ALA 72 -0.905 10.261 3.041 451 HB1 ALA 72 HB1 ALA 72 1.589 10.842 4.629 452 HB2 ALA 72 HB2 ALA 72 -0.065 11.326 5.009 453 HB3 ALA 72 HB3 ALA 72 0.763 12.029 3.620 454 H ASP 73 HN ASP 73 0.121 11.526 1.312 455 HA ASP 73 HA ASP 73 1.469 9.836 -0.545 456 HB2 ASP 73 HB2 ASP 73 0.597 12.708 -0.531 457 HB3 ASP 73 HB1 ASP 73 1.655 12.125 -1.808 458 H ASN 74 HN ASN 74 2.517 11.817 1.965 459 HA ASN 74 HA ASN 74 5.212 12.085 0.828 460 HB2 ASN 74 HB2 ASN 74 5.550 13.806 2.610 461 HB3 ASN 74 HB1 ASN 74 4.283 14.219 1.459 462 HD21 ASN 74 HD21 ASN 74 5.057 13.577 4.721 463 HD22 ASN 74 HD22 ASN 74 3.473 13.816 5.380 464 H HIS 75 HN HIS 75 3.902 9.721 2.212 465 HA HIS 75 HA HIS 75 5.623 9.480 4.566 466 HB2 HIS 75 HB2 HIS 75 3.154 8.101 3.632 467 HB3 HIS 75 HB1 HIS 75 4.281 7.173 4.614 468 HD2 HIS 75 HD2 HIS 75 4.857 10.167 6.372 469 HE1 HIS 75 HE1 HIS 75 1.023 9.055 7.773 470 HE2 HIS 75 HE2 HIS 75 3.062 10.492 8.215 471 H THR 76 HN THR 76 6.941 7.614 4.870 472 HA THR 76 HA THR 76 7.715 6.231 2.385 473 HB THR 76 HB THR 76 10.082 6.287 3.257 474 HG1 THR 76 HG1 THR 76 8.848 8.082 5.102 475 HG21 THR 76 HG21 THR 76 9.334 7.800 1.468 476 HG22 THR 76 HG22 THR 76 10.537 8.567 2.503 477 HG23 THR 76 HG23 THR 76 8.832 8.978 2.679 478 HA PRO 77 HA PRO 77 7.439 2.519 4.814 479 HB2 PRO 77 HB2 PRO 77 9.748 1.356 3.446 480 HB3 PRO 77 HB1 PRO 77 8.042 0.912 3.324 481 HG2 PRO 77 HG2 PRO 77 9.358 2.083 1.292 482 HG3 PRO 77 HG1 PRO 77 7.630 2.354 1.595 483 HD2 PRO 77 HD2 PRO 77 9.956 4.107 2.271 484 HD3 PRO 77 HD1 PRO 77 8.362 4.547 1.622 485 H LYS 78 HN LYS 78 10.173 4.483 4.863 486 HA LYS 78 HA LYS 78 11.757 2.884 6.667 487 HB2 LYS 78 HB2 LYS 78 12.920 4.298 5.104 488 HB3 LYS 78 HB1 LYS 78 12.034 5.712 5.643 489 HG2 LYS 78 HG2 LYS 78 14.308 5.730 6.477 490 HG3 LYS 78 HG1 LYS 78 13.150 5.614 7.800 491 HD2 LYS 78 HD2 LYS 78 14.913 4.106 8.297 492 HD3 LYS 78 HD1 LYS 78 13.541 3.126 7.780 493 HE2 LYS 78 HE2 LYS 78 14.516 2.640 5.716 494 HE3 LYS 78 HE1 LYS 78 15.648 3.985 5.831 495 HZ1 LYS 78 HZ1 LYS 78 15.710 1.546 7.523 496 HZ2 LYS 78 HZ2 LYS 78 16.813 2.825 7.586 497 HZ3 LYS 78 HZ3 LYS 78 16.729 1.851 6.209 498 H GLU 79 HN GLU 79 9.195 5.154 6.940 499 HA GLU 79 HA GLU 79 9.797 5.533 9.796 500 HB2 GLU 79 HB2 GLU 79 8.388 7.491 9.743 501 HB3 GLU 79 HB1 GLU 79 9.575 7.603 8.450 502 HG2 GLU 79 HG2 GLU 79 7.736 6.631 6.950 503 HG3 GLU 79 HG1 GLU 79 6.638 7.059 8.261 504 H LEU 80 HN LEU 80 7.631 5.918 11.049 505 HA LEU 80 HA LEU 80 5.683 5.146 11.891 506 HB2 LEU 80 HB2 LEU 80 5.372 4.056 9.111 507 HB3 LEU 80 HB1 LEU 80 4.198 3.717 10.368 508 HG LEU 80 HG LEU 80 4.944 6.541 9.657 509 HD11 LEU 80 HD11 LEU 80 4.218 5.521 7.590 510 HD12 LEU 80 HD12 LEU 80 2.950 6.580 8.209 511 HD13 LEU 80 HD13 LEU 80 2.808 4.831 8.393 512 HD21 LEU 80 HD21 LEU 80 2.473 5.322 10.881 513 HD22 LEU 80 HD22 LEU 80 2.774 7.040 10.622 514 HD23 LEU 80 HD23 LEU 80 3.761 6.136 11.770 515 H GLY 81 HN GLY 81 7.355 2.629 10.006 516 HA2 GLY 81 HA2 GLY 81 8.500 0.943 11.449 517 HA3 GLY 81 HA1 GLY 81 6.986 0.848 12.336 518 H MET 82 HN MET 82 8.154 0.562 8.981 519 HA MET 82 HA MET 82 6.148 -1.521 8.529 520 HB2 MET 82 HB2 MET 82 7.600 0.388 6.798 521 HB3 MET 82 HB1 MET 82 7.315 -1.204 6.110 522 HG2 MET 82 HG2 MET 82 4.909 -0.943 6.617 523 HG3 MET 82 HG1 MET 82 5.239 0.695 7.173 524 HE1 MET 82 HE1 MET 82 3.075 -0.012 4.800 525 HE2 MET 82 HE2 MET 82 3.420 1.427 3.840 526 HE3 MET 82 HE3 MET 82 3.395 1.528 5.601 527 H GLU 83 HN GLU 83 6.717 -3.569 8.706 528 HA GLU 83 HA GLU 83 9.504 -4.312 8.102 529 HB2 GLU 83 HB2 GLU 83 8.071 -4.588 10.573 530 HB3 GLU 83 HB1 GLU 83 8.432 -6.187 9.934 531 HG2 GLU 83 HG2 GLU 83 10.425 -3.989 10.441 532 HG3 GLU 83 HG1 GLU 83 10.181 -5.428 11.431 533 H GLU 84 HN GLU 84 9.591 -6.842 7.883 534 HA GLU 84 HA GLU 84 7.906 -7.498 5.672 535 HB2 GLU 84 HB2 GLU 84 10.224 -8.265 5.757 536 HB3 GLU 84 HB1 GLU 84 9.897 -9.167 7.226 537 HG2 GLU 84 HG2 GLU 84 10.031 -10.592 5.235 538 HG3 GLU 84 HG1 GLU 84 8.466 -10.689 6.041 539 H GLU 85 HN GLU 85 6.298 -9.059 5.549 540 HA GLU 85 HA GLU 85 4.519 -10.301 6.217 541 HB2 GLU 85 HB2 GLU 85 6.354 -10.745 8.552 542 HB3 GLU 85 HB1 GLU 85 4.704 -11.345 8.602 543 HG2 GLU 85 HG2 GLU 85 6.567 -12.003 6.348 544 HG3 GLU 85 HG1 GLU 85 6.505 -12.955 7.831 545 H ASP 86 HN ASP 86 4.757 -7.427 6.720 546 HA ASP 86 HA ASP 86 3.310 -6.912 9.167 547 HB2 ASP 86 HB2 ASP 86 4.969 -5.395 7.586 548 HB3 ASP 86 HB1 ASP 86 3.380 -4.767 7.166 549 H VAL 87 HN VAL 87 1.282 -5.507 9.003 550 HA VAL 87 HA VAL 87 -0.433 -6.481 6.814 551 HB VAL 87 HB VAL 87 -1.255 -6.233 9.716 552 HG11 VAL 87 HG11 VAL 87 -3.373 -7.187 9.027 553 HG12 VAL 87 HG12 VAL 87 -2.820 -7.270 7.356 554 HG13 VAL 87 HG13 VAL 87 -3.059 -5.704 8.127 555 HG21 VAL 87 HG21 VAL 87 -0.639 -8.632 8.008 556 HG22 VAL 87 HG22 VAL 87 -1.583 -8.732 9.494 557 HG23 VAL 87 HG23 VAL 87 0.088 -8.172 9.548 558 H ILE 88 HN ILE 88 -1.715 -5.014 5.873 559 HA ILE 88 HA ILE 88 -2.177 -2.438 7.180 560 HB ILE 88 HB ILE 88 -0.235 -2.047 5.758 561 HG12 ILE 88 HG12 ILE 88 -2.683 -0.882 4.419 562 HG13 ILE 88 HG11 ILE 88 -2.036 -0.308 5.951 563 HG21 ILE 88 HG21 ILE 88 -1.935 -3.146 3.529 564 HG22 ILE 88 HG22 ILE 88 -0.451 -3.843 4.177 565 HG23 ILE 88 HG23 ILE 88 -0.398 -2.315 3.299 566 HD11 ILE 88 HD11 ILE 88 -1.290 1.134 4.196 567 HD12 ILE 88 HD12 ILE 88 -0.676 -0.235 3.271 568 HD13 ILE 88 HD13 ILE 88 0.092 0.215 4.792 569 H GLU 89 HN GLU 89 -4.118 -1.427 6.523 570 HA GLU 89 HA GLU 89 -5.889 -3.199 4.973 571 HB2 GLU 89 HB2 GLU 89 -6.592 -1.221 7.145 572 HB3 GLU 89 HB1 GLU 89 -7.751 -2.183 6.237 573 HG2 GLU 89 HG2 GLU 89 -6.683 -4.228 7.119 574 HG3 GLU 89 HG1 GLU 89 -5.624 -3.215 8.099 575 H VAL 90 HN VAL 90 -7.549 -2.189 3.698 576 HA VAL 90 HA VAL 90 -7.116 0.600 2.974 577 HB VAL 90 HB VAL 90 -5.674 -0.554 1.410 578 HG11 VAL 90 HG11 VAL 90 -8.076 -2.219 0.669 579 HG12 VAL 90 HG12 VAL 90 -6.644 -2.782 1.529 580 HG13 VAL 90 HG13 VAL 90 -6.514 -2.248 -0.146 581 HG21 VAL 90 HG21 VAL 90 -6.641 0.169 -0.700 582 HG22 VAL 90 HG22 VAL 90 -6.964 1.351 0.569 583 HG23 VAL 90 HG23 VAL 90 -8.237 0.251 0.043 584 H TYR 91 HN TYR 91 -9.002 1.610 2.726 585 HA TYR 91 HA TYR 91 -11.382 0.018 2.042 586 HB2 TYR 91 HB2 TYR 91 -11.175 2.109 4.221 587 HB3 TYR 91 HB1 TYR 91 -12.689 1.412 3.656 588 HD1 TYR 91 HD1 TYR 91 -13.267 -0.902 4.181 589 HD2 TYR 91 HD2 TYR 91 -9.648 0.826 5.604 590 HE1 TYR 91 HE1 TYR 91 -13.015 -2.754 5.779 591 HE2 TYR 91 HE2 TYR 91 -9.389 -1.020 7.206 592 HH TYR 91 HH TYR 91 -10.139 -3.039 7.842 593 H GLN 92 HN GLN 92 -13.240 1.523 1.380 594 HA GLN 92 HA GLN 92 -12.161 3.361 -0.585 595 HB2 GLN 92 HB2 GLN 92 -13.927 1.760 -1.214 596 HB3 GLN 92 HB1 GLN 92 -15.019 2.528 -0.072 597 HG2 GLN 92 HG2 GLN 92 -14.806 4.635 -1.352 598 HG3 GLN 92 HG1 GLN 92 -13.825 3.774 -2.536 599 HE21 GLN 92 HE21 GLN 92 -17.005 4.244 -1.241 600 HE22 GLN 92 HE22 GLN 92 -17.855 3.408 -2.497 601 H GLU 93 HN GLU 93 -12.390 5.528 -0.631 602 HA GLU 93 HA GLU 93 -13.167 6.847 1.824 603 HB2 GLU 93 HB2 GLU 93 -11.929 7.732 -0.767 604 HB3 GLU 93 HB1 GLU 93 -12.553 8.919 0.370 605 HG2 GLU 93 HG2 GLU 93 -10.602 6.823 1.236 606 HG3 GLU 93 HG1 GLU 93 -10.064 8.313 0.463 607 H GLN 94 HN GLN 94 -14.821 8.398 2.012 608 HA GLN 94 HA GLN 94 -17.205 7.786 0.625 609 HB2 GLN 94 HB2 GLN 94 -17.016 8.722 2.962 610 HB3 GLN 94 HB1 GLN 94 -16.670 10.285 2.235 611 HG2 GLN 94 HG2 GLN 94 -18.814 10.549 1.460 612 HG3 GLN 94 HG1 GLN 94 -19.130 8.816 1.424 613 HE21 GLN 94 HE21 GLN 94 -21.020 8.956 2.569 614 HE22 GLN 94 HE22 GLN 94 -21.079 9.342 4.253 615 H THR 95 HN THR 95 -14.711 10.171 0.097 616 HA THR 95 HA THR 95 -16.191 11.857 -1.638 617 HB THR 95 HB THR 95 -13.396 11.921 -2.261 618 HG1 THR 95 HG1 THR 95 -12.500 11.528 -0.383 619 HG21 THR 95 HG21 THR 95 -14.946 13.828 -2.348 620 HG22 THR 95 HG22 THR 95 -13.561 14.171 -1.313 621 HG23 THR 95 HG23 THR 95 -15.120 13.763 -0.596 622 H GLY 96 HN GLY 96 -14.663 8.798 -2.066 623 HA2 GLY 96 HA2 GLY 96 -14.774 7.374 -3.884 624 HA3 GLY 96 HA1 GLY 96 -15.595 8.639 -4.782 625 H GLY 97 HN GLY 97 -12.991 10.180 -3.689 626 HA2 GLY 97 HA2 GLY 97 -10.678 9.426 -4.768 627 HA3 GLY 97 HA1 GLY 97 -11.586 9.854 -6.213 628 H1 ASP 195 HN ASP 195 -8.191 -20.349 -5.092 629 HA ASP 195 HA ASP 195 -8.761 -18.814 -2.861 630 HB2 ASP 195 HB2 ASP 195 -6.090 -20.173 -2.746 631 HB3 ASP 195 HB1 ASP 195 -6.264 -18.546 -2.098 632 H THR 196 HN THR 196 -7.458 -16.698 -2.876 633 HA THR 196 HA THR 196 -6.558 -16.176 -5.634 634 HB THR 196 HB THR 196 -7.747 -14.085 -3.835 635 HG1 THR 196 HG1 THR 196 -9.167 -16.021 -4.321 636 HG21 THR 196 HG21 THR 196 -8.152 -12.897 -5.888 637 HG22 THR 196 HG22 THR 196 -7.652 -14.289 -6.847 638 HG23 THR 196 HG23 THR 196 -6.468 -13.417 -5.874 639 H ALA 197 HN ALA 197 -4.446 -15.729 -5.724 640 HA ALA 197 HA ALA 197 -3.263 -14.203 -3.505 641 HB1 ALA 197 HB1 ALA 197 -1.130 -15.458 -4.012 642 HB2 ALA 197 HB2 ALA 197 -2.113 -16.563 -4.974 643 HB3 ALA 197 HB3 ALA 197 -2.411 -16.394 -3.245 644 H GLY 198 HN GLY 198 -2.381 -12.320 -4.149 645 HA2 GLY 198 HA2 GLY 198 -1.569 -12.117 -6.985 646 HA3 GLY 198 HA1 GLY 198 -2.433 -10.822 -6.168 647 H CYS 199 HN CYS 199 0.516 -11.499 -7.291 648 HA CYS 199 HA CYS 199 1.776 -10.047 -5.060 649 HB2 CYS 199 HB2 CYS 199 3.106 -11.990 -6.961 650 HB3 CYS 199 HB1 CYS 199 3.911 -11.101 -5.671 651 HG CYS 199 HG CYS 199 1.639 -12.481 -4.021 652 H ILE 200 HN ILE 200 2.421 -8.088 -5.522 653 HA ILE 200 HA ILE 200 2.954 -7.390 -8.328 654 HB ILE 200 HB ILE 200 0.847 -6.446 -7.910 655 HG12 ILE 200 HG12 ILE 200 2.749 -4.188 -7.266 656 HG13 ILE 200 HG11 ILE 200 2.550 -4.864 -8.880 657 HG21 ILE 200 HG21 ILE 200 0.942 -6.776 -5.437 658 HG22 ILE 200 HG22 ILE 200 0.173 -5.277 -5.958 659 HG23 ILE 200 HG23 ILE 200 1.820 -5.248 -5.328 660 HD11 ILE 200 HD11 ILE 200 0.402 -3.541 -7.239 661 HD12 ILE 200 HD12 ILE 200 0.197 -4.216 -8.856 662 HD13 ILE 200 HD13 ILE 200 1.256 -2.827 -8.607 663 H VAL 201 HN VAL 201 4.806 -6.284 -8.726 664 HA VAL 201 HA VAL 201 6.270 -5.272 -6.384 665 HB VAL 201 HB VAL 201 7.292 -7.276 -7.627 666 HG11 VAL 201 HG11 VAL 201 8.601 -6.762 -9.620 667 HG12 VAL 201 HG12 VAL 201 7.974 -5.116 -9.622 668 HG13 VAL 201 HG13 VAL 201 6.887 -6.476 -9.908 669 HG21 VAL 201 HG21 VAL 201 8.497 -5.870 -6.017 670 HG22 VAL 201 HG22 VAL 201 8.952 -4.780 -7.324 671 HG23 VAL 201 HG23 VAL 201 9.546 -6.440 -7.310 672 H ILE 202 HN ILE 202 6.849 -3.201 -6.402 673 HA ILE 202 HA ILE 202 6.476 -1.611 -8.848 674 HB ILE 202 HB ILE 202 4.683 -1.283 -7.163 675 HG12 ILE 202 HG12 ILE 202 5.072 1.265 -6.902 676 HG13 ILE 202 HG11 ILE 202 6.521 0.985 -7.864 677 HG21 ILE 202 HG21 ILE 202 6.982 -0.437 -5.429 678 HG22 ILE 202 HG22 ILE 202 5.778 -1.685 -5.117 679 HG23 ILE 202 HG23 ILE 202 5.315 0.013 -5.101 680 HD11 ILE 202 HD11 ILE 202 4.579 -0.297 -9.318 681 HD12 ILE 202 HD12 ILE 202 5.192 1.335 -9.615 682 HD13 ILE 202 HD13 ILE 202 3.727 1.102 -8.658 683 H SEP 203 HN SEP 203 8.195 -0.189 -9.380 684 HA SEP 203 HA SEP 203 10.245 0.089 -7.273 685 HB2 SEP 203 HB1 SEP 203 10.634 0.020 -10.285 686 HB3 SEP 203 HB2 SEP 203 10.991 -1.305 -9.186 687 H ASP 204 HN ASP 204 10.261 2.090 -6.505 688 HA ASP 204 HA ASP 204 10.071 4.336 -8.377 689 HB2 ASP 204 HB2 ASP 204 7.905 4.017 -7.212 690 HB3 ASP 204 HB1 ASP 204 8.697 4.388 -5.710 691 H SEP 205 HN SEP 205 11.797 5.596 -8.162 692 HA SEP 205 HA SEP 205 13.086 5.793 -5.534 693 HB2 SEP 205 HB1 SEP 205 14.750 5.944 -7.949 694 HB3 SEP 205 HB2 SEP 205 14.170 4.350 -7.467 695 H GLU 206 HN GLU 206 13.704 7.876 -4.932 696 HA GLU 206 HA GLU 206 12.543 10.138 -6.030 697 HB2 GLU 206 HB2 GLU 206 13.654 10.106 -3.818 698 HB3 GLU 206 HB1 GLU 206 15.215 10.021 -4.612 699 HG2 GLU 206 HG2 GLU 206 14.567 12.285 -3.783 700 HG3 GLU 206 HG1 GLU 206 15.012 12.199 -5.484 Start of MODEL 18 1 H1 TYR 21 HN TYR 21 13.604 -7.172 -0.598 2 HA TYR 21 HA TYR 21 11.868 -5.115 -1.535 3 HB2 TYR 21 HB2 TYR 21 11.443 -7.924 -2.545 4 HB3 TYR 21 HB1 TYR 21 10.129 -6.764 -2.430 5 HD1 TYR 21 HD1 TYR 21 10.009 -4.865 -3.948 6 HD2 TYR 21 HD2 TYR 21 13.196 -7.674 -4.201 7 HE1 TYR 21 HE1 TYR 21 10.593 -3.996 -6.173 8 HE2 TYR 21 HE2 TYR 21 13.791 -6.807 -6.421 9 HH TYR 21 HH TYR 21 12.715 -3.908 -7.630 10 H ILE 22 HN ILE 22 10.349 -4.730 -0.054 11 HA ILE 22 HA ILE 22 10.219 -6.515 2.246 12 HB ILE 22 HB ILE 22 8.891 -3.823 1.882 13 HG12 ILE 22 HG12 ILE 22 11.349 -3.641 1.726 14 HG13 ILE 22 HG11 ILE 22 10.726 -2.881 3.185 15 HG21 ILE 22 HG21 ILE 22 9.371 -5.520 4.322 16 HG22 ILE 22 HG22 ILE 22 7.816 -5.120 3.592 17 HG23 ILE 22 HG23 ILE 22 8.783 -3.859 4.358 18 HD11 ILE 22 HD11 ILE 22 12.057 -5.573 3.001 19 HD12 ILE 22 HD12 ILE 22 11.382 -4.867 4.471 20 HD13 ILE 22 HD13 ILE 22 12.752 -4.094 3.669 21 H LYS 23 HN LYS 23 8.724 -8.039 2.284 22 HA LYS 23 HA LYS 23 6.439 -7.918 0.502 23 HB2 LYS 23 HB2 LYS 23 7.448 -10.027 2.411 24 HB3 LYS 23 HB1 LYS 23 5.990 -10.212 1.451 25 HG2 LYS 23 HG2 LYS 23 7.128 -10.623 -0.444 26 HG3 LYS 23 HG1 LYS 23 8.414 -9.481 -0.048 27 HD2 LYS 23 HD2 LYS 23 9.147 -11.864 -0.111 28 HD3 LYS 23 HD1 LYS 23 9.454 -11.058 1.424 29 HE2 LYS 23 HE2 LYS 23 6.904 -12.559 1.106 30 HE3 LYS 23 HE1 LYS 23 8.392 -13.480 1.304 31 HZ1 LYS 23 HZ1 LYS 23 6.910 -11.950 3.239 32 HZ2 LYS 23 HZ2 LYS 23 8.569 -11.585 3.242 33 HZ3 LYS 23 HZ3 LYS 23 8.052 -13.181 3.478 34 H LEU 24 HN LEU 24 4.502 -7.193 1.090 35 HA LEU 24 HA LEU 24 3.828 -7.188 3.962 36 HB2 LEU 24 HB2 LEU 24 3.023 -5.150 1.880 37 HB3 LEU 24 HB1 LEU 24 2.495 -5.157 3.552 38 HG LEU 24 HG LEU 24 5.312 -5.200 3.624 39 HD11 LEU 24 HD11 LEU 24 4.273 -3.111 1.718 40 HD12 LEU 24 HD12 LEU 24 5.300 -4.477 1.286 41 HD13 LEU 24 HD13 LEU 24 5.914 -3.216 2.356 42 HD21 LEU 24 HD21 LEU 24 5.039 -3.061 4.719 43 HD22 LEU 24 HD22 LEU 24 3.765 -4.163 5.238 44 HD23 LEU 24 HD23 LEU 24 3.411 -2.901 4.059 45 H LYS 25 HN LYS 25 1.519 -7.360 4.431 46 HA LYS 25 HA LYS 25 0.142 -8.896 2.330 47 HB2 LYS 25 HB2 LYS 25 0.165 -9.202 5.320 48 HB3 LYS 25 HB1 LYS 25 -1.135 -9.873 4.344 49 HG2 LYS 25 HG2 LYS 25 0.828 -10.961 3.005 50 HG3 LYS 25 HG1 LYS 25 1.737 -10.656 4.487 51 HD2 LYS 25 HD2 LYS 25 0.898 -12.833 4.746 52 HD3 LYS 25 HD1 LYS 25 -0.196 -11.823 5.694 53 HE2 LYS 25 HE2 LYS 25 -1.803 -11.819 3.875 54 HE3 LYS 25 HE1 LYS 25 -0.705 -12.760 2.873 55 HZ1 LYS 25 HZ1 LYS 25 -1.958 -13.665 5.406 56 HZ2 LYS 25 HZ2 LYS 25 -0.870 -14.567 4.480 57 HZ3 LYS 25 HZ3 LYS 25 -2.390 -14.165 3.846 58 H VAL 26 HN VAL 26 -1.367 -7.730 1.414 59 HA VAL 26 HA VAL 26 -2.862 -5.768 3.003 60 HB VAL 26 HB VAL 26 -3.174 -6.155 0.036 61 HG11 VAL 26 HG11 VAL 26 -4.789 -4.733 1.190 62 HG12 VAL 26 HG12 VAL 26 -3.784 -3.793 0.086 63 HG13 VAL 26 HG13 VAL 26 -3.471 -3.744 1.821 64 HG21 VAL 26 HG21 VAL 26 -1.054 -4.481 1.381 65 HG22 VAL 26 HG22 VAL 26 -1.437 -4.464 -0.342 66 HG23 VAL 26 HG23 VAL 26 -0.781 -5.923 0.402 67 H ILE 27 HN ILE 27 -4.819 -6.291 3.742 68 HA ILE 27 HA ILE 27 -6.136 -8.674 2.647 69 HB ILE 27 HB ILE 27 -6.728 -7.222 5.229 70 HG12 ILE 27 HG12 ILE 27 -4.469 -8.202 5.244 71 HG13 ILE 27 HG11 ILE 27 -5.543 -9.044 6.351 72 HG21 ILE 27 HG21 ILE 27 -7.933 -9.312 5.798 73 HG22 ILE 27 HG22 ILE 27 -7.656 -9.878 4.153 74 HG23 ILE 27 HG23 ILE 27 -8.644 -8.445 4.436 75 HD11 ILE 27 HD11 ILE 27 -4.663 -9.984 3.633 76 HD12 ILE 27 HD12 ILE 27 -5.842 -10.808 4.652 77 HD13 ILE 27 HD13 ILE 27 -4.174 -10.636 5.197 78 H GLY 28 HN GLY 28 -7.619 -8.291 1.161 79 HA2 GLY 28 HA2 GLY 28 -8.929 -5.725 0.964 80 HA3 GLY 28 HA1 GLY 28 -9.166 -7.106 -0.098 81 H GLN 29 HN GLN 29 -11.163 -5.350 1.038 82 HA GLN 29 HA GLN 29 -12.514 -6.460 3.226 83 HB2 GLN 29 HB2 GLN 29 -12.950 -4.215 2.281 84 HB3 GLN 29 HB1 GLN 29 -13.683 -4.967 0.871 85 HG2 GLN 29 HG2 GLN 29 -15.468 -4.309 2.243 86 HG3 GLN 29 HG1 GLN 29 -15.321 -6.051 2.459 87 HE21 GLN 29 HE21 GLN 29 -14.534 -6.856 4.416 88 HE22 GLN 29 HE22 GLN 29 -14.471 -5.886 5.846 89 H ASP 30 HN ASP 30 -12.528 -7.291 -0.163 90 HA ASP 30 HA ASP 30 -14.817 -9.039 0.009 91 HB2 ASP 30 HB2 ASP 30 -14.410 -9.486 -2.325 92 HB3 ASP 30 HB1 ASP 30 -14.202 -7.758 -2.055 93 H SER 31 HN SER 31 -12.170 -9.449 1.537 94 HA SER 31 HA SER 31 -11.016 -11.198 2.373 95 HB2 SER 31 HB2 SER 31 -12.777 -13.057 0.775 96 HB3 SER 31 HB1 SER 31 -11.924 -13.395 2.280 97 HG SER 31 HG SER 31 -14.258 -11.887 1.841 98 H SER 32 HN SER 32 -9.780 -9.944 0.421 99 HA SER 32 HA SER 32 -8.641 -12.066 -1.279 100 HB2 SER 32 HB2 SER 32 -7.881 -10.084 -2.719 101 HB3 SER 32 HB1 SER 32 -9.605 -10.447 -2.731 102 HG SER 32 HG SER 32 -9.998 -8.570 -1.873 103 H GLU 33 HN GLU 33 -6.493 -12.466 -1.095 104 HA GLU 33 HA GLU 33 -5.001 -10.796 0.801 105 HB2 GLU 33 HB2 GLU 33 -4.750 -13.678 -0.008 106 HB3 GLU 33 HB1 GLU 33 -3.410 -12.835 0.757 107 HG2 GLU 33 HG2 GLU 33 -4.745 -12.383 2.707 108 HG3 GLU 33 HG1 GLU 33 -6.169 -13.076 1.933 109 H ILE 34 HN ILE 34 -4.133 -9.212 -0.379 110 HA ILE 34 HA ILE 34 -2.809 -9.839 -2.904 111 HB ILE 34 HB ILE 34 -3.194 -7.133 -1.617 112 HG12 ILE 34 HG12 ILE 34 -5.375 -8.155 -2.064 113 HG13 ILE 34 HG11 ILE 34 -5.073 -6.834 -3.185 114 HG21 ILE 34 HG21 ILE 34 -2.603 -7.817 -4.487 115 HG22 ILE 34 HG22 ILE 34 -1.384 -7.343 -3.305 116 HG23 ILE 34 HG23 ILE 34 -2.659 -6.212 -3.756 117 HD11 ILE 34 HD11 ILE 34 -4.877 -9.781 -3.758 118 HD12 ILE 34 HD12 ILE 34 -4.387 -8.513 -4.882 119 HD13 ILE 34 HD13 ILE 34 -6.073 -8.642 -4.383 120 H HIS 35 HN HIS 35 -0.684 -9.980 -3.125 121 HA HIS 35 HA HIS 35 0.995 -9.463 -0.782 122 HB2 HIS 35 HB2 HIS 35 1.599 -10.956 -3.342 123 HB3 HIS 35 HB1 HIS 35 2.689 -10.798 -1.974 124 HD2 HIS 35 HD2 HIS 35 1.267 -11.852 0.496 125 HE1 HIS 35 HE1 HIS 35 -0.336 -14.950 -1.891 126 HE2 HIS 35 HE2 HIS 35 0.137 -14.186 0.477 127 H PHE 36 HN PHE 36 1.644 -7.407 -0.751 128 HA PHE 36 HA PHE 36 2.522 -6.179 -3.266 129 HB2 PHE 36 HB2 PHE 36 0.781 -5.164 -1.508 130 HB3 PHE 36 HB1 PHE 36 2.266 -4.572 -0.770 131 HD1 PHE 36 HD1 PHE 36 3.940 -3.846 -2.975 132 HD2 PHE 36 HD2 PHE 36 -0.276 -3.429 -2.567 133 HE1 PHE 36 HE1 PHE 36 3.973 -1.973 -4.559 134 HE2 PHE 36 HE2 PHE 36 -0.242 -1.547 -4.160 135 HZ PHE 36 HZ PHE 36 1.884 -0.820 -5.158 136 H LYS 37 HN LYS 37 4.625 -6.065 -3.630 137 HA LYS 37 HA LYS 37 6.453 -6.149 -1.329 138 HB2 LYS 37 HB2 LYS 37 8.123 -6.988 -3.128 139 HB3 LYS 37 HB1 LYS 37 6.930 -8.108 -2.488 140 HG2 LYS 37 HG2 LYS 37 5.523 -7.312 -4.550 141 HG3 LYS 37 HG1 LYS 37 7.105 -6.864 -5.187 142 HD2 LYS 37 HD2 LYS 37 6.404 -9.597 -4.133 143 HD3 LYS 37 HD1 LYS 37 6.352 -9.148 -5.837 144 HE2 LYS 37 HE2 LYS 37 8.761 -8.551 -5.687 145 HE3 LYS 37 HE1 LYS 37 8.771 -9.171 -4.037 146 HZ1 LYS 37 HZ1 LYS 37 8.124 -10.739 -6.470 147 HZ2 LYS 37 HZ2 LYS 37 8.121 -11.339 -4.890 148 HZ3 LYS 37 HZ3 LYS 37 9.569 -10.823 -5.595 149 H VAL 38 HN VAL 38 7.339 -4.289 -0.922 150 HA VAL 38 HA VAL 38 7.845 -2.403 -3.136 151 HB VAL 38 HB VAL 38 7.531 -0.578 -1.617 152 HG11 VAL 38 HG11 VAL 38 5.364 -2.614 -1.111 153 HG12 VAL 38 HG12 VAL 38 5.473 -1.555 -2.515 154 HG13 VAL 38 HG13 VAL 38 5.212 -0.869 -0.913 155 HG21 VAL 38 HG21 VAL 38 8.619 -1.545 0.347 156 HG22 VAL 38 HG22 VAL 38 7.244 -2.626 0.584 157 HG23 VAL 38 HG23 VAL 38 7.039 -0.882 0.760 158 H LYS 39 HN LYS 39 9.584 -0.685 -2.228 159 HA LYS 39 HA LYS 39 11.763 -2.207 -0.974 160 HB2 LYS 39 HB2 LYS 39 11.834 -0.618 -3.504 161 HB3 LYS 39 HB1 LYS 39 13.247 -0.610 -2.468 162 HG2 LYS 39 HG2 LYS 39 13.573 -2.918 -2.717 163 HG3 LYS 39 HG1 LYS 39 11.962 -3.151 -3.400 164 HD2 LYS 39 HD2 LYS 39 13.553 -3.275 -5.188 165 HD3 LYS 39 HD1 LYS 39 12.663 -1.762 -5.350 166 HE2 LYS 39 HE2 LYS 39 14.527 -0.567 -4.294 167 HE3 LYS 39 HE1 LYS 39 15.416 -2.083 -4.157 168 HZ1 LYS 39 HZ1 LYS 39 14.482 -0.939 -6.736 169 HZ2 LYS 39 HZ2 LYS 39 15.523 -2.258 -6.513 170 HZ3 LYS 39 HZ3 LYS 39 16.037 -0.701 -6.106 171 H MET 40 HN MET 40 13.421 -0.774 -0.013 172 HA MET 40 HA MET 40 12.168 1.158 1.637 173 HB2 MET 40 HB2 MET 40 14.267 -0.355 2.027 174 HB3 MET 40 HB1 MET 40 15.138 0.998 1.324 175 HG2 MET 40 HG2 MET 40 15.091 1.054 3.778 176 HG3 MET 40 HG1 MET 40 14.351 2.474 3.048 177 HE1 MET 40 HE1 MET 40 12.646 -1.091 3.256 178 HE2 MET 40 HE2 MET 40 11.904 -1.005 4.853 179 HE3 MET 40 HE3 MET 40 13.661 -1.017 4.697 180 H THR 41 HN THR 41 13.665 1.353 -1.441 181 HA THR 41 HA THR 41 14.218 4.194 -1.228 182 HB THR 41 HB THR 41 15.633 2.494 -2.550 183 HG1 THR 41 HG1 THR 41 15.722 4.252 -4.362 184 HG21 THR 41 HG21 THR 41 13.991 1.380 -3.858 185 HG22 THR 41 HG22 THR 41 14.923 2.376 -4.975 186 HG23 THR 41 HG23 THR 41 13.314 2.906 -4.454 187 H THR 42 HN THR 42 11.626 2.162 -2.289 188 HA THR 42 HA THR 42 10.587 4.003 -4.205 189 HB THR 42 HB THR 42 8.662 2.608 -4.383 190 HG1 THR 42 HG1 THR 42 8.995 2.194 -1.807 191 HG21 THR 42 HG21 THR 42 11.267 1.619 -4.655 192 HG22 THR 42 HG22 THR 42 9.805 1.024 -5.443 193 HG23 THR 42 HG23 THR 42 10.328 0.323 -3.916 194 H HIS 43 HN HIS 43 9.123 5.591 -3.987 195 HA HIS 43 HA HIS 43 8.604 6.554 -1.302 196 HB2 HIS 43 HB2 HIS 43 7.613 7.702 -3.924 197 HB3 HIS 43 HB1 HIS 43 7.685 8.521 -2.377 198 HD2 HIS 43 HD2 HIS 43 11.050 7.064 -2.473 199 HE1 HIS 43 HE1 HIS 43 11.318 10.501 -4.897 200 HE2 HIS 43 HE2 HIS 43 12.610 8.775 -3.578 201 H LEU 44 HN LEU 44 6.614 6.532 -0.290 202 HA LEU 44 HA LEU 44 4.770 4.564 -1.076 203 HB2 LEU 44 HB2 LEU 44 4.805 6.655 1.037 204 HB3 LEU 44 HB1 LEU 44 3.287 5.852 0.683 205 HG LEU 44 HG LEU 44 5.804 4.333 1.358 206 HD11 LEU 44 HD11 LEU 44 3.595 5.158 3.236 207 HD12 LEU 44 HD12 LEU 44 5.234 5.815 3.218 208 HD13 LEU 44 HD13 LEU 44 4.970 4.118 3.616 209 HD21 LEU 44 HD21 LEU 44 4.143 2.567 1.934 210 HD22 LEU 44 HD22 LEU 44 4.161 3.007 0.228 211 HD23 LEU 44 HD23 LEU 44 2.880 3.608 1.275 212 H LYS 45 HN LYS 45 5.154 7.746 -2.103 213 HA LYS 45 HA LYS 45 2.541 8.510 -2.753 214 HB2 LYS 45 HB2 LYS 45 4.342 10.106 -2.867 215 HB3 LYS 45 HB1 LYS 45 5.200 9.133 -4.051 216 HG2 LYS 45 HG2 LYS 45 4.272 10.929 -5.243 217 HG3 LYS 45 HG1 LYS 45 3.252 9.539 -5.612 218 HD2 LYS 45 HD2 LYS 45 1.763 10.363 -3.697 219 HD3 LYS 45 HD1 LYS 45 2.671 11.870 -3.809 220 HE2 LYS 45 HE2 LYS 45 2.104 11.853 -6.282 221 HE3 LYS 45 HE1 LYS 45 0.949 10.579 -5.902 222 HZ1 LYS 45 HZ1 LYS 45 0.936 13.394 -5.009 223 HZ2 LYS 45 HZ2 LYS 45 0.040 12.210 -4.192 224 HZ3 LYS 45 HZ3 LYS 45 -0.277 12.542 -5.823 225 H LYS 46 HN LYS 46 4.965 6.730 -4.636 226 HA LYS 46 HA LYS 46 3.215 6.341 -6.873 227 HB2 LYS 46 HB2 LYS 46 5.820 6.381 -6.809 228 HB3 LYS 46 HB1 LYS 46 5.672 4.688 -6.364 229 HG2 LYS 46 HG2 LYS 46 4.604 4.153 -8.419 230 HG3 LYS 46 HG1 LYS 46 4.416 5.856 -8.837 231 HD2 LYS 46 HD2 LYS 46 7.161 4.818 -8.337 232 HD3 LYS 46 HD1 LYS 46 6.378 4.386 -9.857 233 HE2 LYS 46 HE2 LYS 46 6.140 6.662 -10.477 234 HE3 LYS 46 HE1 LYS 46 6.582 7.215 -8.863 235 HZ1 LYS 46 HZ1 LYS 46 8.385 5.815 -10.758 236 HZ2 LYS 46 HZ2 LYS 46 8.809 6.365 -9.212 237 HZ3 LYS 46 HZ3 LYS 46 8.406 7.473 -10.427 238 H LEU 47 HN LEU 47 3.928 4.651 -3.935 239 HA LEU 47 HA LEU 47 2.998 2.085 -4.646 240 HB2 LEU 47 HB2 LEU 47 3.428 3.538 -2.083 241 HB3 LEU 47 HB1 LEU 47 2.417 2.112 -2.038 242 HG LEU 47 HG LEU 47 4.333 1.028 -1.630 243 HD11 LEU 47 HD11 LEU 47 3.781 0.339 -3.932 244 HD12 LEU 47 HD12 LEU 47 5.496 0.202 -3.548 245 HD13 LEU 47 HD13 LEU 47 4.919 1.546 -4.527 246 HD21 LEU 47 HD21 LEU 47 5.674 3.449 -2.753 247 HD22 LEU 47 HD22 LEU 47 6.587 1.980 -2.410 248 HD23 LEU 47 HD23 LEU 47 5.725 2.803 -1.112 249 H LYS 48 HN LYS 48 1.402 4.873 -3.188 250 HA LYS 48 HA LYS 48 -1.113 3.723 -2.777 251 HB2 LYS 48 HB2 LYS 48 -0.392 6.601 -3.326 252 HB3 LYS 48 HB1 LYS 48 -1.943 6.053 -2.705 253 HG2 LYS 48 HG2 LYS 48 -0.812 5.152 -0.720 254 HG3 LYS 48 HG1 LYS 48 0.726 5.751 -1.344 255 HD2 LYS 48 HD2 LYS 48 -0.044 7.341 0.239 256 HD3 LYS 48 HD1 LYS 48 -0.299 8.048 -1.358 257 HE2 LYS 48 HE2 LYS 48 -2.647 7.413 -1.278 258 HE3 LYS 48 HE1 LYS 48 -2.399 6.648 0.291 259 HZ1 LYS 48 HZ1 LYS 48 -3.365 8.968 0.262 260 HZ2 LYS 48 HZ2 LYS 48 -1.817 9.514 -0.158 261 HZ3 LYS 48 HZ3 LYS 48 -2.067 8.698 1.313 262 H GLU 49 HN GLU 49 0.088 5.594 -5.576 263 HA GLU 49 HA GLU 49 -2.384 5.437 -6.968 264 HB2 GLU 49 HB2 GLU 49 -0.976 6.073 -8.988 265 HB3 GLU 49 HB1 GLU 49 -0.985 7.201 -7.642 266 HG2 GLU 49 HG2 GLU 49 1.198 6.837 -7.139 267 HG3 GLU 49 HG1 GLU 49 1.171 5.172 -7.715 268 H SER 50 HN SER 50 0.522 3.433 -6.998 269 HA SER 50 HA SER 50 -0.117 1.870 -9.231 270 HB2 SER 50 HB2 SER 50 1.529 1.248 -6.780 271 HB3 SER 50 HB1 SER 50 1.408 0.158 -8.163 272 HG SER 50 HG SER 50 2.543 2.741 -8.016 273 H TYR 51 HN TYR 51 -1.104 1.565 -5.852 274 HA TYR 51 HA TYR 51 -2.284 -0.995 -6.094 275 HB2 TYR 51 HB2 TYR 51 -1.744 0.257 -3.936 276 HB3 TYR 51 HB1 TYR 51 -3.214 1.180 -4.221 277 HD1 TYR 51 HD1 TYR 51 -1.840 -2.025 -3.171 278 HD2 TYR 51 HD2 TYR 51 -5.422 0.083 -4.077 279 HE1 TYR 51 HE1 TYR 51 -3.146 -3.780 -2.057 280 HE2 TYR 51 HE2 TYR 51 -6.737 -1.666 -2.961 281 HH TYR 51 HH TYR 51 -6.364 -4.213 -2.442 282 H CYS 52 HN CYS 52 -3.551 2.288 -6.440 283 HA CYS 52 HA CYS 52 -6.233 1.588 -6.936 284 HB2 CYS 52 HB2 CYS 52 -4.816 4.012 -8.052 285 HB3 CYS 52 HB1 CYS 52 -6.525 3.845 -7.669 286 HG CYS 52 HG CYS 52 -3.945 4.052 -5.426 287 H GLN 53 HN GLN 53 -3.443 2.050 -9.033 288 HA GLN 53 HA GLN 53 -4.750 1.834 -11.507 289 HB2 GLN 53 HB2 GLN 53 -1.914 1.215 -10.684 290 HB3 GLN 53 HB1 GLN 53 -2.461 1.176 -12.355 291 HG2 GLN 53 HG2 GLN 53 -2.998 3.517 -12.284 292 HG3 GLN 53 HG1 GLN 53 -2.623 3.589 -10.564 293 HE21 GLN 53 HE21 GLN 53 -1.501 5.004 -12.922 294 HE22 GLN 53 HE22 GLN 53 0.207 4.744 -12.829 295 H ARG 54 HN ARG 54 -3.487 -0.604 -9.307 296 HA ARG 54 HA ARG 54 -3.847 -2.775 -11.136 297 HB2 ARG 54 HB2 ARG 54 -2.180 -2.935 -9.383 298 HB3 ARG 54 HB1 ARG 54 -3.414 -2.740 -8.145 299 HG2 ARG 54 HG2 ARG 54 -3.827 -4.915 -8.125 300 HG3 ARG 54 HG1 ARG 54 -4.061 -4.948 -9.873 301 HD2 ARG 54 HD2 ARG 54 -1.689 -5.190 -10.223 302 HD3 ARG 54 HD1 ARG 54 -1.383 -5.011 -8.496 303 HE ARG 54 HE ARG 54 -3.108 -7.145 -8.734 304 HH11 ARG 54 HH11 ARG 54 0.093 -6.337 -9.907 305 HH12 ARG 54 HH12 ARG 54 0.633 -7.987 -9.955 306 HH21 ARG 54 HH21 ARG 54 -2.398 -9.325 -8.793 307 HH22 ARG 54 HH22 ARG 54 -0.785 -9.680 -9.326 308 H GLN 55 HN GLN 55 -5.786 -1.274 -8.629 309 HA GLN 55 HA GLN 55 -7.776 -3.349 -8.627 310 HB2 GLN 55 HB2 GLN 55 -7.704 -0.578 -7.435 311 HB3 GLN 55 HB1 GLN 55 -9.092 -1.647 -7.282 312 HG2 GLN 55 HG2 GLN 55 -6.307 -2.167 -6.266 313 HG3 GLN 55 HG1 GLN 55 -7.720 -1.749 -5.300 314 HE21 GLN 55 HE21 GLN 55 -9.307 -3.286 -4.942 315 HE22 GLN 55 HE22 GLN 55 -9.042 -4.970 -5.246 316 H GLY 56 HN GLY 56 -7.125 -0.546 -10.494 317 HA2 GLY 56 HA2 GLY 56 -8.148 0.013 -12.525 318 HA3 GLY 56 HA1 GLY 56 -9.473 -1.072 -12.128 319 H VAL 57 HN VAL 57 -8.283 1.376 -9.943 320 HA VAL 57 HA VAL 57 -10.700 2.977 -10.444 321 HB VAL 57 HB VAL 57 -10.672 3.457 -7.931 322 HG11 VAL 57 HG11 VAL 57 -12.002 1.480 -7.409 323 HG12 VAL 57 HG12 VAL 57 -11.374 0.671 -8.844 324 HG13 VAL 57 HG13 VAL 57 -12.390 2.102 -9.012 325 HG21 VAL 57 HG21 VAL 57 -8.460 2.537 -7.456 326 HG22 VAL 57 HG22 VAL 57 -9.025 0.932 -7.917 327 HG23 VAL 57 HG23 VAL 57 -9.703 1.732 -6.499 328 HA PRO 58 HA PRO 58 -8.007 6.489 -10.463 329 HB2 PRO 58 HB2 PRO 58 -9.521 8.418 -9.298 330 HB3 PRO 58 HB1 PRO 58 -9.857 7.796 -10.921 331 HG2 PRO 58 HG2 PRO 58 -11.163 7.094 -8.331 332 HG3 PRO 58 HG1 PRO 58 -11.900 7.377 -9.920 333 HD2 PRO 58 HD2 PRO 58 -11.469 4.895 -8.952 334 HD3 PRO 58 HD1 PRO 58 -11.401 5.270 -10.683 335 H MET 59 HN MET 59 -7.072 8.249 -8.986 336 HA MET 59 HA MET 59 -6.175 6.963 -6.566 337 HB2 MET 59 HB2 MET 59 -4.801 8.466 -8.175 338 HB3 MET 59 HB1 MET 59 -5.548 9.806 -7.316 339 HG2 MET 59 HG2 MET 59 -4.672 8.757 -5.191 340 HG3 MET 59 HG1 MET 59 -3.718 7.695 -6.223 341 HE1 MET 59 HE1 MET 59 -2.388 9.404 -4.012 342 HE2 MET 59 HE2 MET 59 -1.033 10.174 -4.836 343 HE3 MET 59 HE3 MET 59 -1.404 8.478 -5.146 344 H ASN 60 HN ASN 60 -6.258 7.971 -4.462 345 HA ASN 60 HA ASN 60 -7.257 8.960 -2.691 346 HB2 ASN 60 HB2 ASN 60 -7.090 11.020 -4.237 347 HB3 ASN 60 HB1 ASN 60 -8.802 10.761 -4.547 348 HD21 ASN 60 HD21 ASN 60 -10.205 11.677 -3.212 349 HD22 ASN 60 HD22 ASN 60 -9.825 12.342 -1.661 350 H SER 61 HN SER 61 -8.426 6.749 -4.278 351 HA SER 61 HA SER 61 -11.257 7.034 -3.536 352 HB2 SER 61 HB2 SER 61 -11.707 5.215 -5.087 353 HB3 SER 61 HB1 SER 61 -10.770 6.460 -5.910 354 HG SER 61 HG SER 61 -9.200 5.088 -6.180 355 H LEU 62 HN LEU 62 -8.334 5.487 -2.744 356 HA LEU 62 HA LEU 62 -9.729 3.770 -0.811 357 HB2 LEU 62 HB2 LEU 62 -7.314 3.044 -2.477 358 HB3 LEU 62 HB1 LEU 62 -7.929 2.084 -1.143 359 HG LEU 62 HG LEU 62 -9.601 2.730 -3.563 360 HD11 LEU 62 HD11 LEU 62 -9.004 0.533 -4.434 361 HD12 LEU 62 HD12 LEU 62 -7.863 0.308 -3.109 362 HD13 LEU 62 HD13 LEU 62 -7.582 1.570 -4.308 363 HD21 LEU 62 HD21 LEU 62 -9.777 0.575 -1.458 364 HD22 LEU 62 HD22 LEU 62 -10.870 0.769 -2.831 365 HD23 LEU 62 HD23 LEU 62 -10.803 2.002 -1.572 366 H ARG 63 HN ARG 63 -8.996 3.952 1.222 367 HA ARG 63 HA ARG 63 -6.571 5.562 1.615 368 HB2 ARG 63 HB2 ARG 63 -7.429 6.077 3.855 369 HB3 ARG 63 HB1 ARG 63 -8.542 6.584 2.598 370 HG2 ARG 63 HG2 ARG 63 -10.013 4.767 3.060 371 HG3 ARG 63 HG1 ARG 63 -8.840 4.028 4.155 372 HD2 ARG 63 HD2 ARG 63 -9.049 5.868 5.692 373 HD3 ARG 63 HD1 ARG 63 -10.090 6.740 4.574 374 HE ARG 63 HE ARG 63 -10.822 4.367 6.142 375 HH11 ARG 63 HH11 ARG 63 -11.736 7.000 4.010 376 HH12 ARG 63 HH12 ARG 63 -13.438 6.786 4.288 377 HH21 ARG 63 HH21 ARG 63 -14.191 5.127 5.706 378 HH22 ARG 63 HH22 ARG 63 -13.051 4.095 6.510 379 H PHE 64 HN PHE 64 -4.857 4.710 2.505 380 HA PHE 64 HA PHE 64 -4.950 1.932 3.369 381 HB2 PHE 64 HB2 PHE 64 -2.575 3.747 2.896 382 HB3 PHE 64 HB1 PHE 64 -2.509 2.012 3.195 383 HD1 PHE 64 HD1 PHE 64 -3.293 4.619 0.760 384 HD2 PHE 64 HD2 PHE 64 -3.167 0.428 1.488 385 HE1 PHE 64 HE1 PHE 64 -3.517 4.198 -1.656 386 HE2 PHE 64 HE2 PHE 64 -3.388 0.001 -0.922 387 HZ PHE 64 HZ PHE 64 -3.565 1.889 -2.491 388 H LEU 65 HN LEU 65 -5.147 1.476 5.427 389 HA LEU 65 HA LEU 65 -4.345 3.495 7.403 390 HB2 LEU 65 HB2 LEU 65 -6.314 1.223 7.616 391 HB3 LEU 65 HB1 LEU 65 -5.861 2.268 8.948 392 HG LEU 65 HG LEU 65 -7.232 3.186 6.417 393 HD11 LEU 65 HD11 LEU 65 -8.290 2.679 9.190 394 HD12 LEU 65 HD12 LEU 65 -8.734 1.832 7.707 395 HD13 LEU 65 HD13 LEU 65 -9.171 3.528 7.919 396 HD21 LEU 65 HD21 LEU 65 -7.569 5.274 7.690 397 HD22 LEU 65 HD22 LEU 65 -5.870 4.938 7.365 398 HD23 LEU 65 HD23 LEU 65 -6.536 4.633 8.969 399 H PHE 66 HN PHE 66 -2.645 3.118 8.577 400 HA PHE 66 HA PHE 66 -1.835 0.338 9.087 401 HB2 PHE 66 HB2 PHE 66 -0.386 1.304 7.334 402 HB3 PHE 66 HB1 PHE 66 0.025 2.631 8.417 403 HD1 PHE 66 HD1 PHE 66 -0.072 -1.102 8.602 404 HD2 PHE 66 HD2 PHE 66 2.101 2.480 9.365 405 HE1 PHE 66 HE1 PHE 66 1.789 -2.427 9.512 406 HE2 PHE 66 HE2 PHE 66 3.967 1.161 10.275 407 HZ PHE 66 HZ PHE 66 3.810 -1.297 10.350 408 H GLU 67 HN GLU 67 -2.110 0.033 11.162 409 HA GLU 67 HA GLU 67 -2.010 0.230 13.408 410 HB2 GLU 67 HB2 GLU 67 0.009 2.420 12.890 411 HB3 GLU 67 HB1 GLU 67 -0.250 1.587 14.417 412 HG2 GLU 67 HG2 GLU 67 0.796 0.390 11.862 413 HG3 GLU 67 HG1 GLU 67 1.704 0.699 13.340 414 H GLY 68 HN GLY 68 -3.932 1.746 11.871 415 HA2 GLY 68 HA2 GLY 68 -5.762 2.975 12.680 416 HA3 GLY 68 HA1 GLY 68 -4.765 3.554 14.003 417 H GLN 69 HN GLN 69 -2.740 4.110 11.655 418 HA GLN 69 HA GLN 69 -3.750 6.828 11.219 419 HB2 GLN 69 HB2 GLN 69 -0.975 5.664 10.965 420 HB3 GLN 69 HB1 GLN 69 -1.390 7.325 10.568 421 HG2 GLN 69 HG2 GLN 69 -2.062 7.721 12.873 422 HG3 GLN 69 HG1 GLN 69 -1.675 6.051 13.279 423 HE21 GLN 69 HE21 GLN 69 -0.156 6.664 14.793 424 HE22 GLN 69 HE22 GLN 69 1.384 7.314 14.348 425 H ARG 70 HN ARG 70 -3.626 7.802 9.143 426 HA ARG 70 HA ARG 70 -3.899 5.840 6.991 427 HB2 ARG 70 HB2 ARG 70 -4.881 7.776 5.708 428 HB3 ARG 70 HB1 ARG 70 -5.805 7.238 7.100 429 HG2 ARG 70 HG2 ARG 70 -4.919 9.106 8.408 430 HG3 ARG 70 HG1 ARG 70 -4.005 9.649 6.999 431 HD2 ARG 70 HD2 ARG 70 -7.004 9.443 7.223 432 HD3 ARG 70 HD1 ARG 70 -6.055 10.926 7.205 433 HE ARG 70 HE ARG 70 -5.345 10.082 4.887 434 HH11 ARG 70 HH11 ARG 70 -9.320 9.492 4.758 435 HH12 ARG 70 HH12 ARG 70 -8.519 9.568 6.294 436 HH21 ARG 70 HH21 ARG 70 -8.131 9.710 2.812 437 HH22 ARG 70 HH22 ARG 70 -6.408 9.954 2.876 438 H ILE 71 HN ILE 71 -2.459 5.633 5.453 439 HA ILE 71 HA ILE 71 0.060 6.879 5.594 440 HB ILE 71 HB ILE 71 -1.140 5.351 3.282 441 HG12 ILE 71 HG12 ILE 71 -1.162 4.003 5.299 442 HG13 ILE 71 HG11 ILE 71 0.109 3.420 4.231 443 HG21 ILE 71 HG21 ILE 71 0.792 6.624 2.579 444 HG22 ILE 71 HG22 ILE 71 1.198 4.908 2.651 445 HG23 ILE 71 HG23 ILE 71 1.731 5.997 3.934 446 HD11 ILE 71 HD11 ILE 71 0.429 5.085 6.714 447 HD12 ILE 71 HD12 ILE 71 1.738 4.724 5.593 448 HD13 ILE 71 HD13 ILE 71 0.938 3.417 6.463 449 H ALA 72 HN ALA 72 0.701 8.784 4.925 450 HA ALA 72 HA ALA 72 -0.996 10.397 3.223 451 HB1 ALA 72 HB1 ALA 72 1.620 11.038 4.579 452 HB2 ALA 72 HB2 ALA 72 0.007 11.447 5.161 453 HB3 ALA 72 HB3 ALA 72 0.629 12.191 3.688 454 H ASP 73 HN ASP 73 0.083 11.683 1.456 455 HA ASP 73 HA ASP 73 1.117 9.882 -0.473 456 HB2 ASP 73 HB2 ASP 73 0.521 12.803 -0.395 457 HB3 ASP 73 HB1 ASP 73 1.515 12.183 -1.708 458 H ASN 74 HN ASN 74 2.629 12.113 1.738 459 HA ASN 74 HA ASN 74 5.203 11.747 0.381 460 HB2 ASN 74 HB2 ASN 74 6.016 13.619 1.752 461 HB3 ASN 74 HB1 ASN 74 4.602 14.073 0.812 462 HD21 ASN 74 HD21 ASN 74 5.736 15.211 3.261 463 HD22 ASN 74 HD22 ASN 74 4.458 15.195 4.425 464 H HIS 75 HN HIS 75 3.781 9.802 2.223 465 HA HIS 75 HA HIS 75 5.468 9.672 4.556 466 HB2 HIS 75 HB2 HIS 75 3.172 8.133 3.487 467 HB3 HIS 75 HB1 HIS 75 4.286 7.255 4.525 468 HD2 HIS 75 HD2 HIS 75 4.054 10.801 5.754 469 HE1 HIS 75 HE1 HIS 75 1.161 8.576 7.896 470 HE2 HIS 75 HE2 HIS 75 2.412 10.777 7.762 471 H THR 76 HN THR 76 6.943 8.017 5.051 472 HA THR 76 HA THR 76 8.068 6.630 2.696 473 HB THR 76 HB THR 76 10.078 6.796 4.670 474 HG1 THR 76 HG1 THR 76 8.507 8.709 5.265 475 HG21 THR 76 HG21 THR 76 10.532 6.792 2.307 476 HG22 THR 76 HG22 THR 76 11.185 8.276 2.993 477 HG23 THR 76 HG23 THR 76 9.671 8.315 2.093 478 HA PRO 77 HA PRO 77 7.315 2.855 4.881 479 HB2 PRO 77 HB2 PRO 77 9.312 1.268 3.920 480 HB3 PRO 77 HB1 PRO 77 7.871 1.698 2.986 481 HG2 PRO 77 HG2 PRO 77 10.611 2.877 2.861 482 HG3 PRO 77 HG1 PRO 77 9.491 2.489 1.539 483 HD2 PRO 77 HD2 PRO 77 9.816 5.008 2.461 484 HD3 PRO 77 HD1 PRO 77 8.271 4.419 1.819 485 H LYS 78 HN LYS 78 10.148 4.654 5.400 486 HA LYS 78 HA LYS 78 11.284 2.829 7.330 487 HB2 LYS 78 HB2 LYS 78 12.717 4.266 5.903 488 HB3 LYS 78 HB1 LYS 78 12.065 5.684 6.712 489 HG2 LYS 78 HG2 LYS 78 14.296 4.990 7.533 490 HG3 LYS 78 HG1 LYS 78 13.063 5.038 8.791 491 HD2 LYS 78 HD2 LYS 78 14.420 3.061 9.067 492 HD3 LYS 78 HD1 LYS 78 12.796 2.586 8.574 493 HE2 LYS 78 HE2 LYS 78 13.658 2.458 6.219 494 HE3 LYS 78 HE1 LYS 78 15.280 2.698 6.867 495 HZ1 LYS 78 HZ1 LYS 78 13.450 0.457 7.532 496 HZ2 LYS 78 HZ2 LYS 78 14.990 0.689 8.192 497 HZ3 LYS 78 HZ3 LYS 78 14.818 0.366 6.544 498 H GLU 79 HN GLU 79 9.305 5.718 7.312 499 HA GLU 79 HA GLU 79 9.486 6.082 10.170 500 HB2 GLU 79 HB2 GLU 79 7.995 7.939 9.871 501 HB3 GLU 79 HB1 GLU 79 9.178 7.988 8.570 502 HG2 GLU 79 HG2 GLU 79 7.498 6.863 7.109 503 HG3 GLU 79 HG1 GLU 79 6.325 7.063 8.409 504 H LEU 80 HN LEU 80 7.308 6.298 11.363 505 HA LEU 80 HA LEU 80 5.434 5.378 12.229 506 HB2 LEU 80 HB2 LEU 80 5.073 5.067 9.429 507 HB3 LEU 80 HB1 LEU 80 4.542 3.585 10.198 508 HG LEU 80 HG LEU 80 3.573 6.277 11.129 509 HD11 LEU 80 HD11 LEU 80 2.990 6.202 8.813 510 HD12 LEU 80 HD12 LEU 80 1.547 5.825 9.752 511 HD13 LEU 80 HD13 LEU 80 2.439 4.534 8.950 512 HD21 LEU 80 HD21 LEU 80 1.835 5.065 12.166 513 HD22 LEU 80 HD22 LEU 80 3.318 4.188 12.540 514 HD23 LEU 80 HD23 LEU 80 2.232 3.589 11.286 515 H GLY 81 HN GLY 81 7.053 2.918 10.214 516 HA2 GLY 81 HA2 GLY 81 8.401 1.276 11.514 517 HA3 GLY 81 HA1 GLY 81 7.013 1.152 12.585 518 H MET 82 HN MET 82 7.938 0.713 9.182 519 HA MET 82 HA MET 82 5.852 -1.330 8.918 520 HB2 MET 82 HB2 MET 82 7.494 0.156 6.864 521 HB3 MET 82 HB1 MET 82 6.425 -1.180 6.457 522 HG2 MET 82 HG2 MET 82 4.510 0.042 7.202 523 HG3 MET 82 HG1 MET 82 5.524 1.338 7.834 524 HE1 MET 82 HE1 MET 82 2.983 1.586 5.749 525 HE2 MET 82 HE2 MET 82 3.608 2.905 4.759 526 HE3 MET 82 HE3 MET 82 3.820 2.937 6.509 527 H GLU 83 HN GLU 83 6.345 -3.435 8.795 528 HA GLU 83 HA GLU 83 9.185 -4.153 8.443 529 HB2 GLU 83 HB2 GLU 83 7.375 -4.709 10.661 530 HB3 GLU 83 HB1 GLU 83 8.148 -6.157 10.027 531 HG2 GLU 83 HG2 GLU 83 9.465 -3.699 11.139 532 HG3 GLU 83 HG1 GLU 83 9.512 -5.344 11.773 533 H GLU 84 HN GLU 84 9.155 -6.769 8.417 534 HA GLU 84 HA GLU 84 8.087 -7.444 5.860 535 HB2 GLU 84 HB2 GLU 84 10.245 -8.281 6.799 536 HB3 GLU 84 HB1 GLU 84 9.332 -9.248 7.946 537 HG2 GLU 84 HG2 GLU 84 9.869 -10.756 6.282 538 HG3 GLU 84 HG1 GLU 84 8.223 -10.279 5.881 539 H GLU 85 HN GLU 85 6.333 -8.605 5.320 540 HA GLU 85 HA GLU 85 4.289 -9.570 5.442 541 HB2 GLU 85 HB2 GLU 85 5.444 -10.845 7.931 542 HB3 GLU 85 HB1 GLU 85 3.954 -11.343 7.147 543 HG2 GLU 85 HG2 GLU 85 6.671 -11.402 5.858 544 HG3 GLU 85 HG1 GLU 85 5.879 -12.782 6.611 545 H ASP 86 HN ASP 86 4.480 -7.004 6.426 546 HA ASP 86 HA ASP 86 3.117 -6.775 8.944 547 HB2 ASP 86 HB2 ASP 86 4.475 -5.013 7.116 548 HB3 ASP 86 HB1 ASP 86 2.901 -4.344 7.533 549 H VAL 87 HN VAL 87 1.006 -6.026 9.271 550 HA VAL 87 HA VAL 87 -0.829 -6.693 7.087 551 HB VAL 87 HB VAL 87 -1.421 -6.310 10.029 552 HG11 VAL 87 HG11 VAL 87 -3.350 -5.840 8.632 553 HG12 VAL 87 HG12 VAL 87 -3.573 -7.363 9.491 554 HG13 VAL 87 HG13 VAL 87 -3.132 -7.371 7.786 555 HG21 VAL 87 HG21 VAL 87 -1.104 -8.834 8.410 556 HG22 VAL 87 HG22 VAL 87 -1.651 -8.757 10.084 557 HG23 VAL 87 HG23 VAL 87 -0.013 -8.254 9.668 558 H ILE 88 HN ILE 88 -1.627 -5.080 5.935 559 HA ILE 88 HA ILE 88 -2.101 -2.492 7.266 560 HB ILE 88 HB ILE 88 -0.259 -2.341 5.641 561 HG12 ILE 88 HG12 ILE 88 -2.687 -0.924 4.543 562 HG13 ILE 88 HG11 ILE 88 -1.902 -0.452 6.046 563 HG21 ILE 88 HG21 ILE 88 -2.312 -3.214 3.616 564 HG22 ILE 88 HG22 ILE 88 -0.874 -4.106 4.118 565 HG23 ILE 88 HG23 ILE 88 -0.709 -2.588 3.233 566 HD11 ILE 88 HD11 ILE 88 -1.137 0.962 4.272 567 HD12 ILE 88 HD12 ILE 88 -0.693 -0.434 3.292 568 HD13 ILE 88 HD13 ILE 88 0.188 -0.084 4.778 569 H GLU 89 HN GLU 89 -4.017 -1.407 6.756 570 HA GLU 89 HA GLU 89 -6.076 -3.120 5.545 571 HB2 GLU 89 HB2 GLU 89 -6.364 -0.780 7.433 572 HB3 GLU 89 HB1 GLU 89 -7.690 -1.742 6.799 573 HG2 GLU 89 HG2 GLU 89 -7.043 -3.634 8.024 574 HG3 GLU 89 HG1 GLU 89 -5.460 -2.952 8.393 575 H VAL 90 HN VAL 90 -7.504 -2.288 4.021 576 HA VAL 90 HA VAL 90 -6.958 0.400 3.001 577 HB VAL 90 HB VAL 90 -5.597 -0.960 1.571 578 HG11 VAL 90 HG11 VAL 90 -8.019 -2.702 1.144 579 HG12 VAL 90 HG12 VAL 90 -6.549 -3.136 2.015 580 HG13 VAL 90 HG13 VAL 90 -6.488 -2.846 0.278 581 HG21 VAL 90 HG21 VAL 90 -6.644 -0.589 -0.623 582 HG22 VAL 90 HG22 VAL 90 -6.808 0.804 0.443 583 HG23 VAL 90 HG23 VAL 90 -8.180 -0.270 0.181 584 H TYR 91 HN TYR 91 -8.818 1.425 3.127 585 HA TYR 91 HA TYR 91 -11.278 -0.045 2.444 586 HB2 TYR 91 HB2 TYR 91 -10.782 1.989 4.607 587 HB3 TYR 91 HB1 TYR 91 -12.404 1.654 4.012 588 HD1 TYR 91 HD1 TYR 91 -13.376 -0.607 4.300 589 HD2 TYR 91 HD2 TYR 91 -9.669 0.466 6.080 590 HE1 TYR 91 HE1 TYR 91 -13.547 -2.543 5.799 591 HE2 TYR 91 HE2 TYR 91 -9.830 -1.470 7.591 592 HH TYR 91 HH TYR 91 -12.190 -3.950 7.134 593 H GLN 92 HN GLN 92 -13.042 1.310 1.635 594 HA GLN 92 HA GLN 92 -12.114 2.997 -0.466 595 HB2 GLN 92 HB2 GLN 92 -14.077 1.521 -0.705 596 HB3 GLN 92 HB1 GLN 92 -14.930 2.485 0.494 597 HG2 GLN 92 HG2 GLN 92 -14.904 4.402 -0.956 598 HG3 GLN 92 HG1 GLN 92 -13.916 3.540 -2.136 599 HE21 GLN 92 HE21 GLN 92 -17.067 3.825 -0.689 600 HE22 GLN 92 HE22 GLN 92 -17.922 2.947 -1.909 601 H GLU 93 HN GLU 93 -12.043 5.141 -0.613 602 HA GLU 93 HA GLU 93 -12.228 6.697 1.772 603 HB2 GLU 93 HB2 GLU 93 -11.474 7.191 -1.062 604 HB3 GLU 93 HB1 GLU 93 -11.924 8.583 -0.086 605 HG2 GLU 93 HG2 GLU 93 -9.861 6.595 0.796 606 HG3 GLU 93 HG1 GLU 93 -9.469 8.002 -0.191 607 H GLN 94 HN GLN 94 -13.631 8.358 2.267 608 HA GLN 94 HA GLN 94 -16.338 7.981 1.539 609 HB2 GLN 94 HB2 GLN 94 -15.550 8.905 3.720 610 HB3 GLN 94 HB1 GLN 94 -15.083 10.377 2.885 611 HG2 GLN 94 HG2 GLN 94 -17.399 10.775 2.259 612 HG3 GLN 94 HG1 GLN 94 -17.880 9.286 3.071 613 HE21 GLN 94 HE21 GLN 94 -19.241 10.375 4.473 614 HE22 GLN 94 HE22 GLN 94 -18.651 11.339 5.780 615 H THR 95 HN THR 95 -13.794 10.097 0.462 616 HA THR 95 HA THR 95 -15.339 11.923 -1.023 617 HB THR 95 HB THR 95 -12.609 11.253 -1.985 618 HG1 THR 95 HG1 THR 95 -13.166 12.288 0.628 619 HG21 THR 95 HG21 THR 95 -13.790 13.230 -2.807 620 HG22 THR 95 HG22 THR 95 -12.367 13.701 -1.878 621 HG23 THR 95 HG23 THR 95 -13.970 13.824 -1.156 622 H GLY 96 HN GLY 96 -14.350 8.674 -1.628 623 HA2 GLY 96 HA2 GLY 96 -15.170 7.257 -3.281 624 HA3 GLY 96 HA1 GLY 96 -15.818 8.652 -4.124 625 H GLY 97 HN GLY 97 -13.535 10.196 -4.400 626 HA2 GLY 97 HA2 GLY 97 -11.418 8.629 -5.565 627 HA3 GLY 97 HA1 GLY 97 -12.443 9.411 -6.760 628 H1 ASP 195 HN ASP 195 -5.530 -21.454 -3.576 629 HA ASP 195 HA ASP 195 -8.058 -20.144 -4.336 630 HB2 ASP 195 HB2 ASP 195 -6.895 -20.121 -1.891 631 HB3 ASP 195 HB1 ASP 195 -6.142 -18.698 -2.608 632 H THR 196 HN THR 196 -7.095 -17.497 -4.280 633 HA THR 196 HA THR 196 -5.223 -17.539 -6.553 634 HB THR 196 HB THR 196 -7.014 -15.199 -6.237 635 HG1 THR 196 HG1 THR 196 -8.108 -17.390 -7.608 636 HG21 THR 196 HG21 THR 196 -7.017 -15.288 -8.668 637 HG22 THR 196 HG22 THR 196 -6.187 -16.844 -8.631 638 HG23 THR 196 HG23 THR 196 -5.362 -15.393 -8.061 639 H ALA 197 HN ALA 197 -3.409 -16.446 -6.313 640 HA ALA 197 HA ALA 197 -3.227 -14.459 -4.145 641 HB1 ALA 197 HB1 ALA 197 -0.877 -15.141 -3.865 642 HB2 ALA 197 HB2 ALA 197 -1.116 -16.410 -5.064 643 HB3 ALA 197 HB3 ALA 197 -1.996 -16.465 -3.537 644 H GLY 198 HN GLY 198 -2.524 -12.508 -4.735 645 HA2 GLY 198 HA2 GLY 198 -1.369 -12.251 -7.440 646 HA3 GLY 198 HA1 GLY 198 -2.473 -11.069 -6.749 647 H CYS 199 HN CYS 199 0.557 -11.336 -7.585 648 HA CYS 199 HA CYS 199 1.571 -9.849 -5.258 649 HB2 CYS 199 HB2 CYS 199 3.198 -11.498 -7.212 650 HB3 CYS 199 HB1 CYS 199 3.783 -10.731 -5.739 651 HG CYS 199 HG CYS 199 1.738 -12.435 -4.307 652 H ILE 200 HN ILE 200 2.251 -7.826 -5.644 653 HA ILE 200 HA ILE 200 2.591 -7.026 -8.459 654 HB ILE 200 HB ILE 200 0.636 -5.919 -7.818 655 HG12 ILE 200 HG12 ILE 200 2.849 -3.960 -7.162 656 HG13 ILE 200 HG11 ILE 200 2.292 -4.362 -8.782 657 HG21 ILE 200 HG21 ILE 200 1.892 -5.193 -5.175 658 HG22 ILE 200 HG22 ILE 200 0.732 -6.494 -5.437 659 HG23 ILE 200 HG23 ILE 200 0.250 -4.819 -5.696 660 HD11 ILE 200 HD11 ILE 200 0.590 -3.098 -6.644 661 HD12 ILE 200 HD12 ILE 200 0.132 -3.394 -8.323 662 HD13 ILE 200 HD13 ILE 200 1.397 -2.224 -7.948 663 H VAL 201 HN VAL 201 4.483 -6.078 -9.001 664 HA VAL 201 HA VAL 201 6.222 -5.249 -6.776 665 HB VAL 201 HB VAL 201 7.097 -7.283 -7.848 666 HG11 VAL 201 HG11 VAL 201 7.849 -7.311 -10.131 667 HG12 VAL 201 HG12 VAL 201 7.388 -5.624 -10.352 668 HG13 VAL 201 HG13 VAL 201 6.146 -6.854 -10.109 669 HG21 VAL 201 HG21 VAL 201 8.754 -5.933 -6.880 670 HG22 VAL 201 HG22 VAL 201 8.632 -4.720 -8.154 671 HG23 VAL 201 HG23 VAL 201 9.363 -6.287 -8.498 672 H ILE 202 HN ILE 202 6.906 -3.272 -6.793 673 HA ILE 202 HA ILE 202 6.625 -1.630 -9.209 674 HB ILE 202 HB ILE 202 4.855 -0.929 -7.861 675 HG12 ILE 202 HG12 ILE 202 7.106 0.868 -6.959 676 HG13 ILE 202 HG11 ILE 202 6.423 0.922 -8.581 677 HG21 ILE 202 HG21 ILE 202 6.710 -1.041 -5.480 678 HG22 ILE 202 HG22 ILE 202 5.453 -2.218 -5.864 679 HG23 ILE 202 HG23 ILE 202 5.018 -0.560 -5.450 680 HD11 ILE 202 HD11 ILE 202 5.586 2.345 -6.356 681 HD12 ILE 202 HD12 ILE 202 4.367 1.083 -6.572 682 HD13 ILE 202 HD13 ILE 202 4.745 2.181 -7.899 683 H SEP 203 HN SEP 203 8.380 -0.326 -9.720 684 HA SEP 203 HA SEP 203 10.518 -0.238 -7.692 685 HB2 SEP 203 HB1 SEP 203 10.723 -0.090 -10.716 686 HB3 SEP 203 HB2 SEP 203 11.042 -1.530 -9.756 687 H ASP 204 HN ASP 204 10.665 1.633 -6.797 688 HA ASP 204 HA ASP 204 10.377 4.049 -8.418 689 HB2 ASP 204 HB2 ASP 204 8.297 3.645 -7.175 690 HB3 ASP 204 HB1 ASP 204 9.196 3.707 -5.686 691 H SEP 205 HN SEP 205 11.984 5.441 -8.147 692 HA SEP 205 HA SEP 205 13.489 5.405 -5.652 693 HB2 SEP 205 HB1 SEP 205 15.251 6.062 -7.736 694 HB3 SEP 205 HB2 SEP 205 14.514 4.498 -8.092 695 H GLU 206 HN GLU 206 14.071 7.362 -4.834 696 HA GLU 206 HA GLU 206 12.982 9.761 -5.718 697 HB2 GLU 206 HB2 GLU 206 13.941 9.591 -3.484 698 HB3 GLU 206 HB1 GLU 206 15.531 9.281 -4.153 699 HG2 GLU 206 HG2 GLU 206 15.223 11.569 -3.255 700 HG3 GLU 206 HG1 GLU 206 15.723 11.515 -4.943 Start of MODEL 19 1 H1 TYR 21 HN TYR 21 13.694 -6.934 -0.081 2 HA TYR 21 HA TYR 21 11.825 -4.807 -0.866 3 HB2 TYR 21 HB2 TYR 21 12.036 -7.600 -1.895 4 HB3 TYR 21 HB1 TYR 21 10.441 -6.871 -1.760 5 HD1 TYR 21 HD1 TYR 21 9.745 -5.129 -3.255 6 HD2 TYR 21 HD2 TYR 21 13.713 -6.657 -3.441 7 HE1 TYR 21 HE1 TYR 21 10.070 -4.004 -5.415 8 HE2 TYR 21 HE2 TYR 21 14.049 -5.534 -5.602 9 HH TYR 21 HH TYR 21 11.659 -3.320 -6.925 10 H ILE 22 HN ILE 22 10.116 -4.546 0.405 11 HA ILE 22 HA ILE 22 9.799 -6.382 2.682 12 HB ILE 22 HB ILE 22 8.483 -3.685 2.478 13 HG12 ILE 22 HG12 ILE 22 10.952 -3.416 2.098 14 HG13 ILE 22 HG11 ILE 22 10.358 -2.618 3.548 15 HG21 ILE 22 HG21 ILE 22 9.364 -5.364 4.823 16 HG22 ILE 22 HG22 ILE 22 7.714 -5.193 4.224 17 HG23 ILE 22 HG23 ILE 22 8.545 -3.805 4.924 18 HD11 ILE 22 HD11 ILE 22 11.843 -5.227 3.418 19 HD12 ILE 22 HD12 ILE 22 11.188 -4.506 4.888 20 HD13 ILE 22 HD13 ILE 22 12.463 -3.682 3.993 21 H LYS 23 HN LYS 23 8.166 -7.771 2.561 22 HA LYS 23 HA LYS 23 6.040 -7.281 0.608 23 HB2 LYS 23 HB2 LYS 23 7.476 -9.491 1.030 24 HB3 LYS 23 HB1 LYS 23 6.179 -9.802 2.174 25 HG2 LYS 23 HG2 LYS 23 4.539 -9.755 0.453 26 HG3 LYS 23 HG1 LYS 23 5.706 -9.149 -0.723 27 HD2 LYS 23 HD2 LYS 23 5.510 -11.433 -1.214 28 HD3 LYS 23 HD1 LYS 23 7.005 -11.309 -0.286 29 HE2 LYS 23 HE2 LYS 23 4.388 -11.923 1.048 30 HE3 LYS 23 HE1 LYS 23 5.336 -13.197 0.286 31 HZ1 LYS 23 HZ1 LYS 23 6.917 -11.550 2.016 32 HZ2 LYS 23 HZ2 LYS 23 6.737 -13.231 1.994 33 HZ3 LYS 23 HZ3 LYS 23 5.626 -12.276 2.842 34 H LEU 24 HN LEU 24 4.336 -6.219 1.332 35 HA LEU 24 HA LEU 24 3.454 -6.597 4.113 36 HB2 LEU 24 HB2 LEU 24 2.422 -4.523 2.198 37 HB3 LEU 24 HB1 LEU 24 2.349 -4.515 3.948 38 HG LEU 24 HG LEU 24 4.939 -4.285 2.423 39 HD11 LEU 24 HD11 LEU 24 3.138 -2.096 3.446 40 HD12 LEU 24 HD12 LEU 24 3.562 -2.420 1.766 41 HD13 LEU 24 HD13 LEU 24 4.796 -1.866 2.897 42 HD21 LEU 24 HD21 LEU 24 5.795 -3.417 4.519 43 HD22 LEU 24 HD22 LEU 24 5.092 -5.016 4.764 44 HD23 LEU 24 HD23 LEU 24 4.202 -3.576 5.262 45 H LYS 25 HN LYS 25 1.363 -7.253 4.589 46 HA LYS 25 HA LYS 25 -0.045 -8.539 2.368 47 HB2 LYS 25 HB2 LYS 25 -0.438 -8.787 5.354 48 HB3 LYS 25 HB1 LYS 25 -1.347 -9.679 4.143 49 HG2 LYS 25 HG2 LYS 25 0.941 -10.528 3.349 50 HG3 LYS 25 HG1 LYS 25 1.535 -9.947 4.907 51 HD2 LYS 25 HD2 LYS 25 1.011 -12.222 5.230 52 HD3 LYS 25 HD1 LYS 25 -0.323 -11.325 5.956 53 HE2 LYS 25 HE2 LYS 25 -1.713 -11.732 4.037 54 HE3 LYS 25 HE1 LYS 25 -0.368 -12.461 3.164 55 HZ1 LYS 25 HZ1 LYS 25 -1.524 -13.560 5.666 56 HZ2 LYS 25 HZ2 LYS 25 -0.348 -14.284 4.688 57 HZ3 LYS 25 HZ3 LYS 25 -1.932 -14.094 4.108 58 H VAL 26 HN VAL 26 -1.432 -7.272 1.365 59 HA VAL 26 HA VAL 26 -2.962 -5.284 2.880 60 HB VAL 26 HB VAL 26 -3.006 -5.704 -0.108 61 HG11 VAL 26 HG11 VAL 26 -4.836 -4.379 0.804 62 HG12 VAL 26 HG12 VAL 26 -3.751 -3.376 -0.155 63 HG13 VAL 26 HG13 VAL 26 -3.678 -3.317 1.605 64 HG21 VAL 26 HG21 VAL 26 -1.197 -3.864 1.456 65 HG22 VAL 26 HG22 VAL 26 -1.334 -3.936 -0.301 66 HG23 VAL 26 HG23 VAL 26 -0.691 -5.313 0.591 67 H ILE 27 HN ILE 27 -4.823 -5.973 3.710 68 HA ILE 27 HA ILE 27 -6.255 -8.159 2.384 69 HB ILE 27 HB ILE 27 -6.796 -6.948 5.099 70 HG12 ILE 27 HG12 ILE 27 -4.573 -7.958 5.063 71 HG13 ILE 27 HG11 ILE 27 -5.674 -8.949 6.011 72 HG21 ILE 27 HG21 ILE 27 -7.716 -9.577 3.950 73 HG22 ILE 27 HG22 ILE 27 -8.695 -8.113 4.007 74 HG23 ILE 27 HG23 ILE 27 -8.166 -8.876 5.507 75 HD11 ILE 27 HD11 ILE 27 -4.737 -9.490 3.204 76 HD12 ILE 27 HD12 ILE 27 -5.920 -10.462 4.077 77 HD13 ILE 27 HD13 ILE 27 -4.261 -10.354 4.666 78 H GLY 28 HN GLY 28 -7.896 -7.707 1.097 79 HA2 GLY 28 HA2 GLY 28 -9.087 -5.053 1.123 80 HA3 GLY 28 HA1 GLY 28 -9.378 -6.318 -0.062 81 H GLN 29 HN GLN 29 -11.544 -4.988 0.745 82 HA GLN 29 HA GLN 29 -12.801 -5.987 3.080 83 HB2 GLN 29 HB2 GLN 29 -13.469 -3.899 1.915 84 HB3 GLN 29 HB1 GLN 29 -14.099 -4.866 0.587 85 HG2 GLN 29 HG2 GLN 29 -15.881 -4.133 2.045 86 HG3 GLN 29 HG1 GLN 29 -15.722 -5.887 2.090 87 HE21 GLN 29 HE21 GLN 29 -14.936 -6.877 3.963 88 HE22 GLN 29 HE22 GLN 29 -14.868 -6.042 5.477 89 H ASP 30 HN ASP 30 -12.399 -7.242 -0.109 90 HA ASP 30 HA ASP 30 -14.525 -9.200 0.133 91 HB2 ASP 30 HB2 ASP 30 -13.823 -9.962 -2.054 92 HB3 ASP 30 HB1 ASP 30 -13.891 -8.203 -2.066 93 H SER 31 HN SER 31 -11.817 -8.933 1.735 94 HA SER 31 HA SER 31 -10.484 -10.320 2.920 95 HB2 SER 31 HB2 SER 31 -12.317 -12.520 1.934 96 HB3 SER 31 HB1 SER 31 -11.208 -12.619 3.303 97 HG SER 31 HG SER 31 -13.707 -11.518 3.152 98 H SER 32 HN SER 32 -9.540 -9.575 0.489 99 HA SER 32 HA SER 32 -8.400 -11.962 -0.766 100 HB2 SER 32 HB2 SER 32 -7.452 -10.094 -2.336 101 HB3 SER 32 HB1 SER 32 -9.166 -10.505 -2.433 102 HG SER 32 HG SER 32 -9.687 -8.609 -1.662 103 H GLU 33 HN GLU 33 -6.235 -12.409 -0.732 104 HA GLU 33 HA GLU 33 -4.626 -10.833 1.147 105 HB2 GLU 33 HB2 GLU 33 -4.266 -13.614 0.029 106 HB3 GLU 33 HB1 GLU 33 -3.070 -12.810 1.035 107 HG2 GLU 33 HG2 GLU 33 -4.747 -12.647 2.835 108 HG3 GLU 33 HG1 GLU 33 -5.879 -13.545 1.825 109 H ILE 34 HN ILE 34 -3.993 -9.123 -0.159 110 HA ILE 34 HA ILE 34 -2.632 -9.747 -2.668 111 HB ILE 34 HB ILE 34 -3.094 -7.004 -1.494 112 HG12 ILE 34 HG12 ILE 34 -5.266 -8.112 -1.731 113 HG13 ILE 34 HG11 ILE 34 -5.082 -6.845 -2.940 114 HG21 ILE 34 HG21 ILE 34 -2.451 -7.976 -4.270 115 HG22 ILE 34 HG22 ILE 34 -1.430 -7.003 -3.208 116 HG23 ILE 34 HG23 ILE 34 -2.911 -6.317 -3.881 117 HD11 ILE 34 HD11 ILE 34 -4.818 -9.811 -3.368 118 HD12 ILE 34 HD12 ILE 34 -4.462 -8.589 -4.589 119 HD13 ILE 34 HD13 ILE 34 -6.103 -8.755 -3.957 120 H HIS 35 HN HIS 35 -0.509 -9.978 -2.757 121 HA HIS 35 HA HIS 35 1.100 -9.205 -0.452 122 HB2 HIS 35 HB2 HIS 35 1.730 -10.867 -2.894 123 HB3 HIS 35 HB1 HIS 35 2.923 -10.444 -1.672 124 HD2 HIS 35 HD2 HIS 35 1.527 -11.209 1.042 125 HE1 HIS 35 HE1 HIS 35 0.573 -14.881 -0.828 126 HE2 HIS 35 HE2 HIS 35 0.814 -13.685 1.391 127 H PHE 36 HN PHE 36 1.650 -7.145 -0.480 128 HA PHE 36 HA PHE 36 2.469 -5.893 -3.002 129 HB2 PHE 36 HB2 PHE 36 0.748 -4.997 -1.147 130 HB3 PHE 36 HB1 PHE 36 2.235 -4.324 -0.486 131 HD1 PHE 36 HD1 PHE 36 3.686 -3.633 -2.950 132 HD2 PHE 36 HD2 PHE 36 -0.422 -3.194 -1.947 133 HE1 PHE 36 HE1 PHE 36 3.506 -1.752 -4.514 134 HE2 PHE 36 HE2 PHE 36 -0.609 -1.311 -3.508 135 HZ PHE 36 HZ PHE 36 1.355 -0.582 -4.799 136 H LYS 37 HN LYS 37 4.612 -5.892 -3.400 137 HA LYS 37 HA LYS 37 6.392 -5.865 -1.068 138 HB2 LYS 37 HB2 LYS 37 8.134 -6.789 -2.637 139 HB3 LYS 37 HB1 LYS 37 6.804 -7.864 -2.241 140 HG2 LYS 37 HG2 LYS 37 5.750 -7.135 -4.427 141 HG3 LYS 37 HG1 LYS 37 7.305 -6.396 -4.812 142 HD2 LYS 37 HD2 LYS 37 6.751 -9.309 -4.253 143 HD3 LYS 37 HD1 LYS 37 7.233 -8.591 -5.791 144 HE2 LYS 37 HE2 LYS 37 9.401 -8.045 -4.929 145 HE3 LYS 37 HE1 LYS 37 8.927 -8.519 -3.300 146 HZ1 LYS 37 HZ1 LYS 37 9.253 -10.305 -5.648 147 HZ2 LYS 37 HZ2 LYS 37 8.627 -10.803 -4.159 148 HZ3 LYS 37 HZ3 LYS 37 10.222 -10.256 -4.261 149 H VAL 38 HN VAL 38 7.267 -4.038 -0.628 150 HA VAL 38 HA VAL 38 7.748 -2.084 -2.775 151 HB VAL 38 HB VAL 38 7.659 -0.363 -1.165 152 HG11 VAL 38 HG11 VAL 38 5.638 -2.362 -0.165 153 HG12 VAL 38 HG12 VAL 38 5.476 -1.454 -1.667 154 HG13 VAL 38 HG13 VAL 38 5.520 -0.604 -0.122 155 HG21 VAL 38 HG21 VAL 38 9.105 -1.240 0.536 156 HG22 VAL 38 HG22 VAL 38 7.940 -2.498 0.948 157 HG23 VAL 38 HG23 VAL 38 7.569 -0.807 1.288 158 H LYS 39 HN LYS 39 9.763 -0.652 -2.273 159 HA LYS 39 HA LYS 39 11.934 -2.336 -1.228 160 HB2 LYS 39 HB2 LYS 39 11.901 -2.467 -3.704 161 HB3 LYS 39 HB1 LYS 39 12.071 -0.721 -3.778 162 HG2 LYS 39 HG2 LYS 39 14.261 -0.785 -2.940 163 HG3 LYS 39 HG1 LYS 39 14.086 -2.452 -2.390 164 HD2 LYS 39 HD2 LYS 39 15.454 -2.309 -4.414 165 HD3 LYS 39 HD1 LYS 39 13.970 -3.218 -4.699 166 HE2 LYS 39 HE2 LYS 39 12.979 -1.068 -5.579 167 HE3 LYS 39 HE1 LYS 39 14.608 -0.401 -5.531 168 HZ1 LYS 39 HZ1 LYS 39 13.935 -1.306 -7.720 169 HZ2 LYS 39 HZ2 LYS 39 13.872 -2.852 -7.030 170 HZ3 LYS 39 HZ3 LYS 39 15.343 -2.019 -7.095 171 H MET 40 HN MET 40 13.638 -1.237 -0.251 172 HA MET 40 HA MET 40 12.975 1.275 0.907 173 HB2 MET 40 HB2 MET 40 14.398 -0.613 1.910 174 HB3 MET 40 HB1 MET 40 15.717 0.031 0.943 175 HG2 MET 40 HG2 MET 40 15.690 0.814 3.299 176 HG3 MET 40 HG1 MET 40 15.655 2.110 2.107 177 HE1 MET 40 HE1 MET 40 12.496 -0.110 2.889 178 HE2 MET 40 HE2 MET 40 11.841 0.700 4.309 179 HE3 MET 40 HE3 MET 40 13.385 -0.144 4.411 180 H THR 41 HN THR 41 12.659 2.548 -0.928 181 HA THR 41 HA THR 41 14.553 4.396 -1.576 182 HB THR 41 HB THR 41 15.745 2.429 -2.693 183 HG1 THR 41 HG1 THR 41 15.748 3.838 -4.827 184 HG21 THR 41 HG21 THR 41 13.811 1.300 -3.640 185 HG22 THR 41 HG22 THR 41 14.918 1.778 -4.927 186 HG23 THR 41 HG23 THR 41 13.438 2.712 -4.641 187 H THR 42 HN THR 42 11.841 2.466 -2.514 188 HA THR 42 HA THR 42 10.807 4.289 -4.456 189 HB THR 42 HB THR 42 8.891 2.821 -4.585 190 HG1 THR 42 HG1 THR 42 9.075 2.613 -2.034 191 HG21 THR 42 HG21 THR 42 11.404 1.932 -5.049 192 HG22 THR 42 HG22 THR 42 9.951 0.993 -5.391 193 HG23 THR 42 HG23 THR 42 10.846 0.721 -3.896 194 H HIS 43 HN HIS 43 9.493 6.049 -4.097 195 HA HIS 43 HA HIS 43 8.934 6.791 -1.362 196 HB2 HIS 43 HB2 HIS 43 7.571 8.191 -3.630 197 HB3 HIS 43 HB1 HIS 43 8.202 8.860 -2.140 198 HD2 HIS 43 HD2 HIS 43 11.405 7.723 -2.897 199 HE1 HIS 43 HE1 HIS 43 10.851 10.569 -5.963 200 HE2 HIS 43 HE2 HIS 43 12.537 9.209 -4.669 201 H LEU 44 HN LEU 44 6.931 6.646 -0.318 202 HA LEU 44 HA LEU 44 5.177 4.638 -1.217 203 HB2 LEU 44 HB2 LEU 44 5.145 6.580 1.022 204 HB3 LEU 44 HB1 LEU 44 3.611 5.857 0.575 205 HG LEU 44 HG LEU 44 6.070 4.254 1.269 206 HD11 LEU 44 HD11 LEU 44 5.383 5.533 3.211 207 HD12 LEU 44 HD12 LEU 44 4.968 3.831 3.426 208 HD13 LEU 44 HD13 LEU 44 3.716 5.000 2.998 209 HD21 LEU 44 HD21 LEU 44 4.409 3.116 -0.147 210 HD22 LEU 44 HD22 LEU 44 3.171 3.455 1.058 211 HD23 LEU 44 HD23 LEU 44 4.524 2.398 1.457 212 H LYS 45 HN LYS 45 5.440 7.820 -2.187 213 HA LYS 45 HA LYS 45 2.806 8.593 -2.709 214 HB2 LYS 45 HB2 LYS 45 4.514 10.226 -2.906 215 HB3 LYS 45 HB1 LYS 45 5.442 9.240 -4.025 216 HG2 LYS 45 HG2 LYS 45 4.493 10.984 -5.291 217 HG3 LYS 45 HG1 LYS 45 3.563 9.534 -5.674 218 HD2 LYS 45 HD2 LYS 45 1.949 10.317 -3.845 219 HD3 LYS 45 HD1 LYS 45 2.788 11.867 -3.948 220 HE2 LYS 45 HE2 LYS 45 2.271 11.954 -6.357 221 HE3 LYS 45 HE1 LYS 45 1.370 10.446 -6.203 222 HZ1 LYS 45 HZ1 LYS 45 0.732 13.083 -5.016 223 HZ2 LYS 45 HZ2 LYS 45 0.006 11.653 -4.471 224 HZ3 LYS 45 HZ3 LYS 45 -0.207 12.159 -6.077 225 H LYS 46 HN LYS 46 5.162 6.942 -4.810 226 HA LYS 46 HA LYS 46 3.240 6.534 -6.891 227 HB2 LYS 46 HB2 LYS 46 5.792 6.737 -7.129 228 HB3 LYS 46 HB1 LYS 46 5.842 5.051 -6.633 229 HG2 LYS 46 HG2 LYS 46 4.493 4.411 -8.529 230 HG3 LYS 46 HG1 LYS 46 4.308 6.100 -8.999 231 HD2 LYS 46 HD2 LYS 46 7.019 4.825 -8.764 232 HD3 LYS 46 HD1 LYS 46 6.058 4.697 -10.241 233 HE2 LYS 46 HE2 LYS 46 6.125 7.001 -10.620 234 HE3 LYS 46 HE1 LYS 46 6.624 7.354 -8.965 235 HZ1 LYS 46 HZ1 LYS 46 8.417 7.556 -10.631 236 HZ2 LYS 46 HZ2 LYS 46 8.300 5.895 -10.932 237 HZ3 LYS 46 HZ3 LYS 46 8.765 6.450 -9.398 238 H LEU 47 HN LEU 47 4.039 4.903 -4.006 239 HA LEU 47 HA LEU 47 3.338 2.257 -4.757 240 HB2 LEU 47 HB2 LEU 47 3.766 3.718 -2.218 241 HB3 LEU 47 HB1 LEU 47 2.759 2.291 -2.121 242 HG LEU 47 HG LEU 47 5.067 1.771 -1.560 243 HD11 LEU 47 HD11 LEU 47 3.813 0.580 -3.957 244 HD12 LEU 47 HD12 LEU 47 4.099 -0.111 -2.364 245 HD13 LEU 47 HD13 LEU 47 5.435 0.068 -3.501 246 HD21 LEU 47 HD21 LEU 47 5.642 2.893 -4.278 247 HD22 LEU 47 HD22 LEU 47 6.751 1.805 -3.445 248 HD23 LEU 47 HD23 LEU 47 6.335 3.359 -2.725 249 H LYS 48 HN LYS 48 1.549 4.981 -3.463 250 HA LYS 48 HA LYS 48 -0.865 3.586 -2.988 251 HB2 LYS 48 HB2 LYS 48 -0.434 6.534 -3.479 252 HB3 LYS 48 HB1 LYS 48 -1.873 5.808 -2.779 253 HG2 LYS 48 HG2 LYS 48 -0.573 5.027 -0.872 254 HG3 LYS 48 HG1 LYS 48 0.890 5.709 -1.583 255 HD2 LYS 48 HD2 LYS 48 0.178 7.292 0.014 256 HD3 LYS 48 HD1 LYS 48 -0.320 7.950 -1.548 257 HE2 LYS 48 HE2 LYS 48 -2.581 7.123 -1.186 258 HE3 LYS 48 HE1 LYS 48 -2.087 6.410 0.349 259 HZ1 LYS 48 HZ1 LYS 48 -3.238 8.604 0.505 260 HZ2 LYS 48 HZ2 LYS 48 -1.893 9.311 -0.235 261 HZ3 LYS 48 HZ3 LYS 48 -1.731 8.541 1.268 262 H GLU 49 HN GLU 49 0.176 5.640 -5.712 263 HA GLU 49 HA GLU 49 -2.242 5.359 -7.154 264 HB2 GLU 49 HB2 GLU 49 -0.842 6.116 -9.130 265 HB3 GLU 49 HB1 GLU 49 -0.896 7.201 -7.746 266 HG2 GLU 49 HG2 GLU 49 1.283 6.449 -7.035 267 HG3 GLU 49 HG1 GLU 49 1.334 5.273 -8.346 268 H SER 50 HN SER 50 0.747 3.475 -7.137 269 HA SER 50 HA SER 50 0.300 1.916 -9.400 270 HB2 SER 50 HB2 SER 50 1.690 1.240 -6.801 271 HB3 SER 50 HB1 SER 50 1.715 0.185 -8.213 272 HG SER 50 HG SER 50 3.086 2.535 -7.731 273 H TYR 51 HN TYR 51 -0.868 1.494 -6.083 274 HA TYR 51 HA TYR 51 -2.097 -1.020 -6.480 275 HB2 TYR 51 HB2 TYR 51 -1.588 0.069 -4.251 276 HB3 TYR 51 HB1 TYR 51 -2.981 1.104 -4.520 277 HD1 TYR 51 HD1 TYR 51 -2.124 -2.536 -4.530 278 HD2 TYR 51 HD2 TYR 51 -4.991 0.461 -3.595 279 HE1 TYR 51 HE1 TYR 51 -3.592 -4.249 -3.562 280 HE2 TYR 51 HE2 TYR 51 -6.468 -1.249 -2.626 281 HH TYR 51 HH TYR 51 -5.415 -4.459 -2.014 282 H CYS 52 HN CYS 52 -3.226 2.292 -6.845 283 HA CYS 52 HA CYS 52 -5.950 1.762 -7.251 284 HB2 CYS 52 HB2 CYS 52 -4.373 4.006 -8.513 285 HB3 CYS 52 HB1 CYS 52 -6.090 3.989 -8.135 286 HG CYS 52 HG CYS 52 -3.629 3.884 -5.752 287 H GLN 53 HN GLN 53 -3.226 1.927 -9.496 288 HA GLN 53 HA GLN 53 -4.715 1.647 -11.872 289 HB2 GLN 53 HB2 GLN 53 -1.868 0.782 -11.332 290 HB3 GLN 53 HB1 GLN 53 -2.588 1.035 -12.915 291 HG2 GLN 53 HG2 GLN 53 -2.846 3.394 -12.459 292 HG3 GLN 53 HG1 GLN 53 -2.231 3.168 -10.822 293 HE21 GLN 53 HE21 GLN 53 -1.214 4.878 -12.911 294 HE22 GLN 53 HE22 GLN 53 0.414 4.377 -13.221 295 H ARG 54 HN ARG 54 -3.253 -0.705 -9.685 296 HA ARG 54 HA ARG 54 -3.796 -2.978 -11.299 297 HB2 ARG 54 HB2 ARG 54 -2.084 -3.128 -9.624 298 HB3 ARG 54 HB1 ARG 54 -3.217 -2.704 -8.348 299 HG2 ARG 54 HG2 ARG 54 -4.070 -4.792 -8.217 300 HG3 ARG 54 HG1 ARG 54 -3.861 -5.108 -9.940 301 HD2 ARG 54 HD2 ARG 54 -1.430 -5.336 -9.558 302 HD3 ARG 54 HD1 ARG 54 -1.704 -5.108 -7.833 303 HE ARG 54 HE ARG 54 -3.141 -7.168 -8.008 304 HH11 ARG 54 HH11 ARG 54 -0.444 -6.608 -10.176 305 HH12 ARG 54 HH12 ARG 54 -0.177 -8.292 -10.489 306 HH21 ARG 54 HH21 ARG 54 -2.816 -9.386 -8.448 307 HH22 ARG 54 HH22 ARG 54 -1.531 -9.874 -9.509 308 H GLN 55 HN GLN 55 -5.557 -1.401 -8.668 309 HA GLN 55 HA GLN 55 -7.624 -3.381 -8.584 310 HB2 GLN 55 HB2 GLN 55 -7.357 -0.620 -7.411 311 HB3 GLN 55 HB1 GLN 55 -8.833 -1.559 -7.244 312 HG2 GLN 55 HG2 GLN 55 -6.096 -2.320 -6.254 313 HG3 GLN 55 HG1 GLN 55 -7.467 -1.800 -5.274 314 HE21 GLN 55 HE21 GLN 55 -9.252 -3.208 -5.057 315 HE22 GLN 55 HE22 GLN 55 -9.092 -4.908 -5.341 316 H GLY 56 HN GLY 56 -6.997 -0.629 -10.528 317 HA2 GLY 56 HA2 GLY 56 -8.112 0.006 -12.472 318 HA3 GLY 56 HA1 GLY 56 -9.389 -1.138 -12.077 319 H VAL 57 HN VAL 57 -8.170 1.318 -9.911 320 HA VAL 57 HA VAL 57 -10.682 2.821 -10.206 321 HB VAL 57 HB VAL 57 -10.626 3.238 -7.739 322 HG11 VAL 57 HG11 VAL 57 -11.540 1.078 -7.081 323 HG12 VAL 57 HG12 VAL 57 -10.827 0.330 -8.511 324 HG13 VAL 57 HG13 VAL 57 -12.103 1.535 -8.691 325 HG21 VAL 57 HG21 VAL 57 -8.282 2.790 -7.320 326 HG22 VAL 57 HG22 VAL 57 -8.504 1.097 -7.766 327 HG23 VAL 57 HG23 VAL 57 -9.289 1.739 -6.323 328 HA PRO 58 HA PRO 58 -8.088 6.418 -10.367 329 HB2 PRO 58 HB2 PRO 58 -9.541 8.275 -9.014 330 HB3 PRO 58 HB1 PRO 58 -9.991 7.700 -10.626 331 HG2 PRO 58 HG2 PRO 58 -11.072 6.873 -7.972 332 HG3 PRO 58 HG1 PRO 58 -11.940 7.203 -9.483 333 HD2 PRO 58 HD2 PRO 58 -11.403 4.696 -8.669 334 HD3 PRO 58 HD1 PRO 58 -11.445 5.147 -10.383 335 H MET 59 HN MET 59 -7.150 8.225 -8.835 336 HA MET 59 HA MET 59 -6.128 6.809 -6.502 337 HB2 MET 59 HB2 MET 59 -4.716 8.156 -8.223 338 HB3 MET 59 HB1 MET 59 -5.260 9.563 -7.322 339 HG2 MET 59 HG2 MET 59 -4.348 8.480 -5.257 340 HG3 MET 59 HG1 MET 59 -3.635 7.249 -6.296 341 HE1 MET 59 HE1 MET 59 -1.937 8.837 -4.258 342 HE2 MET 59 HE2 MET 59 -0.538 9.373 -5.192 343 HE3 MET 59 HE3 MET 59 -1.162 7.733 -5.397 344 H ASN 60 HN ASN 60 -5.945 7.924 -4.425 345 HA ASN 60 HA ASN 60 -6.741 9.081 -2.634 346 HB2 ASN 60 HB2 ASN 60 -6.609 11.026 -4.346 347 HB3 ASN 60 HB1 ASN 60 -8.355 10.843 -4.470 348 HD21 ASN 60 HD21 ASN 60 -9.650 11.517 -2.798 349 HD22 ASN 60 HD22 ASN 60 -9.054 12.438 -1.458 350 H SER 61 HN SER 61 -8.263 6.972 -4.275 351 HA SER 61 HA SER 61 -10.993 7.430 -3.358 352 HB2 SER 61 HB2 SER 61 -11.444 5.310 -4.657 353 HB3 SER 61 HB1 SER 61 -10.799 6.639 -5.622 354 HG SER 61 HG SER 61 -9.263 5.316 -6.161 355 H LEU 62 HN LEU 62 -8.274 5.244 -2.853 356 HA LEU 62 HA LEU 62 -9.787 3.897 -0.725 357 HB2 LEU 62 HB2 LEU 62 -7.248 2.972 -2.066 358 HB3 LEU 62 HB1 LEU 62 -8.251 2.053 -0.962 359 HG LEU 62 HG LEU 62 -9.202 2.987 -3.668 360 HD11 LEU 62 HD11 LEU 62 -8.817 0.669 -4.403 361 HD12 LEU 62 HD12 LEU 62 -8.020 0.333 -2.866 362 HD13 LEU 62 HD13 LEU 62 -7.316 1.499 -3.987 363 HD21 LEU 62 HD21 LEU 62 -10.264 1.004 -1.665 364 HD22 LEU 62 HD22 LEU 62 -10.878 1.186 -3.307 365 HD23 LEU 62 HD23 LEU 62 -11.008 2.523 -2.165 366 H ARG 63 HN ARG 63 -9.191 4.119 1.327 367 HA ARG 63 HA ARG 63 -6.752 5.646 1.867 368 HB2 ARG 63 HB2 ARG 63 -7.699 6.085 4.088 369 HB3 ARG 63 HB1 ARG 63 -8.797 6.595 2.816 370 HG2 ARG 63 HG2 ARG 63 -10.115 4.550 3.157 371 HG3 ARG 63 HG1 ARG 63 -9.023 4.085 4.464 372 HD2 ARG 63 HD2 ARG 63 -9.602 6.245 5.596 373 HD3 ARG 63 HD1 ARG 63 -10.831 6.493 4.358 374 HE ARG 63 HE ARG 63 -10.829 4.228 6.248 375 HH11 ARG 63 HH11 ARG 63 -12.525 6.660 4.366 376 HH12 ARG 63 HH12 ARG 63 -14.094 6.153 4.919 377 HH21 ARG 63 HH21 ARG 63 -14.306 4.417 6.394 378 HH22 ARG 63 HH22 ARG 63 -12.898 3.574 6.964 379 H PHE 64 HN PHE 64 -5.025 4.638 2.583 380 HA PHE 64 HA PHE 64 -5.234 1.860 3.424 381 HB2 PHE 64 HB2 PHE 64 -2.749 3.539 3.022 382 HB3 PHE 64 HB1 PHE 64 -2.827 1.787 3.175 383 HD1 PHE 64 HD1 PHE 64 -2.564 4.421 0.913 384 HD2 PHE 64 HD2 PHE 64 -4.421 0.626 1.401 385 HE1 PHE 64 HE1 PHE 64 -2.796 4.228 -1.527 386 HE2 PHE 64 HE2 PHE 64 -4.655 0.422 -1.040 387 HZ PHE 64 HZ PHE 64 -3.840 2.225 -2.508 388 H LEU 65 HN LEU 65 -5.462 1.391 5.485 389 HA LEU 65 HA LEU 65 -4.611 3.356 7.492 390 HB2 LEU 65 HB2 LEU 65 -6.447 0.985 7.811 391 HB3 LEU 65 HB1 LEU 65 -6.111 2.204 9.024 392 HG LEU 65 HG LEU 65 -7.485 2.755 6.389 393 HD11 LEU 65 HD11 LEU 65 -8.669 2.504 9.151 394 HD12 LEU 65 HD12 LEU 65 -8.826 1.313 7.860 395 HD13 LEU 65 HD13 LEU 65 -9.534 2.916 7.669 396 HD21 LEU 65 HD21 LEU 65 -8.062 4.900 7.458 397 HD22 LEU 65 HD22 LEU 65 -6.320 4.695 7.263 398 HD23 LEU 65 HD23 LEU 65 -7.064 4.455 8.845 399 H PHE 66 HN PHE 66 -2.907 3.016 8.659 400 HA PHE 66 HA PHE 66 -1.943 0.267 9.090 401 HB2 PHE 66 HB2 PHE 66 -0.466 1.274 7.466 402 HB3 PHE 66 HB1 PHE 66 -0.324 2.740 8.428 403 HD1 PHE 66 HD1 PHE 66 0.408 -0.907 8.527 404 HD2 PHE 66 HD2 PHE 66 1.440 2.979 9.912 405 HE1 PHE 66 HE1 PHE 66 2.414 -1.828 9.619 406 HE2 PHE 66 HE2 PHE 66 3.442 2.065 11.007 407 HZ PHE 66 HZ PHE 66 3.932 -0.340 10.861 408 H GLU 67 HN GLU 67 -2.298 -0.128 11.158 409 HA GLU 67 HA GLU 67 -2.291 0.022 13.418 410 HB2 GLU 67 HB2 GLU 67 -0.097 1.868 12.646 411 HB3 GLU 67 HB1 GLU 67 -0.684 1.968 14.301 412 HG2 GLU 67 HG2 GLU 67 0.356 -0.503 12.935 413 HG3 GLU 67 HG1 GLU 67 1.215 0.471 14.129 414 H GLY 68 HN GLY 68 -4.151 1.642 11.782 415 HA2 GLY 68 HA2 GLY 68 -6.051 2.765 12.645 416 HA3 GLY 68 HA1 GLY 68 -5.068 3.364 13.970 417 H GLN 69 HN GLN 69 -2.979 4.088 11.821 418 HA GLN 69 HA GLN 69 -4.197 6.687 11.224 419 HB2 GLN 69 HB2 GLN 69 -1.305 5.809 11.289 420 HB3 GLN 69 HB1 GLN 69 -1.839 7.414 10.804 421 HG2 GLN 69 HG2 GLN 69 -2.890 7.668 13.043 422 HG3 GLN 69 HG1 GLN 69 -2.157 6.133 13.505 423 HE21 GLN 69 HE21 GLN 69 -1.778 8.827 14.573 424 HE22 GLN 69 HE22 GLN 69 -0.080 9.142 14.463 425 H ARG 70 HN ARG 70 -3.874 7.646 9.118 426 HA ARG 70 HA ARG 70 -3.958 5.594 7.042 427 HB2 ARG 70 HB2 ARG 70 -4.935 7.307 5.616 428 HB3 ARG 70 HB1 ARG 70 -5.814 7.194 7.135 429 HG2 ARG 70 HG2 ARG 70 -4.525 9.166 7.940 430 HG3 ARG 70 HG1 ARG 70 -3.838 9.313 6.321 431 HD2 ARG 70 HD2 ARG 70 -6.770 9.421 7.017 432 HD3 ARG 70 HD1 ARG 70 -5.749 10.804 6.627 433 HE ARG 70 HE ARG 70 -5.426 9.482 4.415 434 HH11 ARG 70 HH11 ARG 70 -9.412 9.531 4.888 435 HH12 ARG 70 HH12 ARG 70 -8.383 9.715 6.280 436 HH21 ARG 70 HH21 ARG 70 -8.527 9.264 2.819 437 HH22 ARG 70 HH22 ARG 70 -6.803 9.239 2.590 438 H ILE 71 HN ILE 71 -2.605 5.497 5.333 439 HA ILE 71 HA ILE 71 -0.002 6.630 5.631 440 HB ILE 71 HB ILE 71 -1.189 5.114 3.296 441 HG12 ILE 71 HG12 ILE 71 -1.177 3.805 5.371 442 HG13 ILE 71 HG11 ILE 71 0.003 3.175 4.226 443 HG21 ILE 71 HG21 ILE 71 0.745 6.414 2.606 444 HG22 ILE 71 HG22 ILE 71 1.134 4.693 2.633 445 HG23 ILE 71 HG23 ILE 71 1.688 5.743 3.937 446 HD11 ILE 71 HD11 ILE 71 0.532 4.817 6.688 447 HD12 ILE 71 HD12 ILE 71 1.759 4.444 5.476 448 HD13 ILE 71 HD13 ILE 71 0.988 3.141 6.381 449 H ALA 72 HN ALA 72 0.713 8.503 4.948 450 HA ALA 72 HA ALA 72 -0.957 10.247 3.370 451 HB1 ALA 72 HB1 ALA 72 1.821 10.662 4.475 452 HB2 ALA 72 HB2 ALA 72 0.309 11.136 5.252 453 HB3 ALA 72 HB3 ALA 72 0.806 11.909 3.745 454 H ASP 73 HN ASP 73 0.067 11.513 1.553 455 HA ASP 73 HA ASP 73 1.018 9.650 -0.427 456 HB2 ASP 73 HB2 ASP 73 -0.118 12.355 -0.392 457 HB3 ASP 73 HB1 ASP 73 1.134 12.131 -1.608 458 H ASN 74 HN ASN 74 2.622 11.212 1.940 459 HA ASN 74 HA ASN 74 5.074 11.376 0.323 460 HB2 ASN 74 HB2 ASN 74 5.788 13.365 1.449 461 HB3 ASN 74 HB1 ASN 74 4.144 13.653 0.888 462 HD21 ASN 74 HD21 ASN 74 6.232 13.450 3.575 463 HD22 ASN 74 HD22 ASN 74 5.065 13.806 4.802 464 H HIS 75 HN HIS 75 3.739 9.472 2.373 465 HA HIS 75 HA HIS 75 5.542 9.449 4.602 466 HB2 HIS 75 HB2 HIS 75 3.223 7.886 3.705 467 HB3 HIS 75 HB1 HIS 75 4.437 6.940 4.557 468 HD2 HIS 75 HD2 HIS 75 5.204 9.235 6.805 469 HE1 HIS 75 HE1 HIS 75 1.101 8.879 7.770 470 HE2 HIS 75 HE2 HIS 75 3.370 9.665 8.584 471 H THR 76 HN THR 76 7.040 7.734 5.093 472 HA THR 76 HA THR 76 8.227 6.519 2.683 473 HB THR 76 HB THR 76 9.857 6.927 5.150 474 HG1 THR 76 HG1 THR 76 8.785 8.948 4.853 475 HG21 THR 76 HG21 THR 76 11.590 7.460 3.412 476 HG22 THR 76 HG22 THR 76 10.381 7.087 2.181 477 HG23 THR 76 HG23 THR 76 10.919 5.833 3.299 478 HA PRO 77 HA PRO 77 7.216 2.538 4.411 479 HB2 PRO 77 HB2 PRO 77 9.792 1.690 3.201 480 HB3 PRO 77 HB1 PRO 77 8.167 1.023 2.983 481 HG2 PRO 77 HG2 PRO 77 9.285 2.481 1.068 482 HG3 PRO 77 HG1 PRO 77 7.551 2.609 1.433 483 HD2 PRO 77 HD2 PRO 77 9.767 4.482 2.119 484 HD3 PRO 77 HD1 PRO 77 8.088 4.830 1.667 485 H LYS 78 HN LYS 78 10.390 3.977 4.873 486 HA LYS 78 HA LYS 78 11.233 2.117 6.869 487 HB2 LYS 78 HB2 LYS 78 12.886 3.272 5.550 488 HB3 LYS 78 HB1 LYS 78 12.278 4.833 6.075 489 HG2 LYS 78 HG2 LYS 78 14.353 4.263 7.206 490 HG3 LYS 78 HG1 LYS 78 13.015 4.370 8.350 491 HD2 LYS 78 HD2 LYS 78 14.401 2.449 8.866 492 HD3 LYS 78 HD1 LYS 78 12.814 1.915 8.313 493 HE2 LYS 78 HE2 LYS 78 13.716 1.456 6.104 494 HE3 LYS 78 HE1 LYS 78 15.300 2.047 6.607 495 HZ1 LYS 78 HZ1 LYS 78 13.877 -0.354 7.610 496 HZ2 LYS 78 HZ2 LYS 78 15.297 0.250 8.300 497 HZ3 LYS 78 HZ3 LYS 78 15.306 -0.316 6.707 498 H GLU 79 HN GLU 79 9.623 5.262 6.946 499 HA GLU 79 HA GLU 79 9.917 5.491 9.799 500 HB2 GLU 79 HB2 GLU 79 8.625 7.505 9.653 501 HB3 GLU 79 HB1 GLU 79 9.774 7.490 8.327 502 HG2 GLU 79 HG2 GLU 79 7.974 6.736 6.823 503 HG3 GLU 79 HG1 GLU 79 6.833 6.887 8.160 504 H LEU 80 HN LEU 80 7.757 6.017 11.029 505 HA LEU 80 HA LEU 80 5.819 5.292 11.942 506 HB2 LEU 80 HB2 LEU 80 5.448 3.951 9.269 507 HB3 LEU 80 HB1 LEU 80 4.280 3.830 10.570 508 HG LEU 80 HG LEU 80 5.136 6.420 9.271 509 HD11 LEU 80 HD11 LEU 80 3.890 5.021 7.717 510 HD12 LEU 80 HD12 LEU 80 2.921 6.397 8.245 511 HD13 LEU 80 HD13 LEU 80 2.622 4.797 8.923 512 HD21 LEU 80 HD21 LEU 80 3.189 7.341 10.473 513 HD22 LEU 80 HD22 LEU 80 4.433 6.740 11.568 514 HD23 LEU 80 HD23 LEU 80 2.977 5.789 11.279 515 H GLY 81 HN GLY 81 7.266 2.596 10.098 516 HA2 GLY 81 HA2 GLY 81 8.549 1.024 11.591 517 HA3 GLY 81 HA1 GLY 81 7.103 1.006 12.586 518 H MET 82 HN MET 82 8.009 0.488 9.170 519 HA MET 82 HA MET 82 5.947 -1.575 8.971 520 HB2 MET 82 HB2 MET 82 7.625 -0.080 6.984 521 HB3 MET 82 HB1 MET 82 6.900 -1.612 6.527 522 HG2 MET 82 HG2 MET 82 4.680 -0.692 7.108 523 HG3 MET 82 HG1 MET 82 5.451 0.858 7.445 524 HE1 MET 82 HE1 MET 82 3.021 0.479 5.307 525 HE2 MET 82 HE2 MET 82 3.618 1.616 4.093 526 HE3 MET 82 HE3 MET 82 3.775 1.992 5.810 527 H GLU 83 HN GLU 83 6.378 -3.727 8.586 528 HA GLU 83 HA GLU 83 9.199 -4.537 8.460 529 HB2 GLU 83 HB2 GLU 83 7.395 -4.928 10.679 530 HB3 GLU 83 HB1 GLU 83 7.901 -6.478 10.019 531 HG2 GLU 83 HG2 GLU 83 9.712 -4.267 10.956 532 HG3 GLU 83 HG1 GLU 83 9.377 -5.774 11.807 533 H GLU 84 HN GLU 84 9.282 -7.031 8.091 534 HA GLU 84 HA GLU 84 7.883 -7.563 5.658 535 HB2 GLU 84 HB2 GLU 84 10.142 -8.409 6.046 536 HB3 GLU 84 HB1 GLU 84 9.575 -9.351 7.416 537 HG2 GLU 84 HG2 GLU 84 9.847 -10.849 5.609 538 HG3 GLU 84 HG1 GLU 84 8.114 -10.624 5.827 539 H GLU 85 HN GLU 85 6.170 -8.919 5.274 540 HA GLU 85 HA GLU 85 4.248 -10.059 5.653 541 HB2 GLU 85 HB2 GLU 85 5.785 -10.960 8.089 542 HB3 GLU 85 HB1 GLU 85 4.155 -11.520 7.743 543 HG2 GLU 85 HG2 GLU 85 6.576 -11.897 6.000 544 HG3 GLU 85 HG1 GLU 85 5.804 -13.125 7.000 545 H ASP 86 HN ASP 86 4.518 -7.347 6.403 546 HA ASP 86 HA ASP 86 3.213 -6.889 8.910 547 HB2 ASP 86 HB2 ASP 86 4.741 -5.332 7.325 548 HB3 ASP 86 HB1 ASP 86 3.147 -4.789 6.812 549 H VAL 87 HN VAL 87 1.135 -5.523 8.915 550 HA VAL 87 HA VAL 87 -0.743 -6.603 6.916 551 HB VAL 87 HB VAL 87 -1.233 -6.319 9.889 552 HG11 VAL 87 HG11 VAL 87 -3.235 -5.747 8.668 553 HG12 VAL 87 HG12 VAL 87 -3.430 -7.331 9.419 554 HG13 VAL 87 HG13 VAL 87 -3.093 -7.208 7.693 555 HG21 VAL 87 HG21 VAL 87 -1.038 -8.762 8.130 556 HG22 VAL 87 HG22 VAL 87 -1.522 -8.763 9.828 557 HG23 VAL 87 HG23 VAL 87 0.109 -8.265 9.375 558 H ILE 88 HN ILE 88 -1.903 -5.105 5.901 559 HA ILE 88 HA ILE 88 -2.371 -2.529 7.234 560 HB ILE 88 HB ILE 88 -0.507 -2.284 5.623 561 HG12 ILE 88 HG12 ILE 88 -2.930 -0.854 4.550 562 HG13 ILE 88 HG11 ILE 88 -2.238 -0.466 6.120 563 HG21 ILE 88 HG21 ILE 88 -2.551 -3.077 3.563 564 HG22 ILE 88 HG22 ILE 88 -1.115 -3.989 4.028 565 HG23 ILE 88 HG23 ILE 88 -0.944 -2.431 3.218 566 HD11 ILE 88 HD11 ILE 88 -1.408 1.081 4.511 567 HD12 ILE 88 HD12 ILE 88 -0.907 -0.225 3.438 568 HD13 ILE 88 HD13 ILE 88 -0.085 0.012 4.980 569 H GLU 89 HN GLU 89 -4.329 -1.510 6.703 570 HA GLU 89 HA GLU 89 -6.276 -3.294 5.402 571 HB2 GLU 89 HB2 GLU 89 -6.807 -1.027 7.330 572 HB3 GLU 89 HB1 GLU 89 -7.988 -2.173 6.709 573 HG2 GLU 89 HG2 GLU 89 -6.787 -3.990 7.849 574 HG3 GLU 89 HG1 GLU 89 -5.662 -2.808 8.516 575 H VAL 90 HN VAL 90 -7.523 -2.577 3.740 576 HA VAL 90 HA VAL 90 -7.103 0.201 2.868 577 HB VAL 90 HB VAL 90 -5.893 -1.194 1.329 578 HG11 VAL 90 HG11 VAL 90 -8.422 -2.810 1.089 579 HG12 VAL 90 HG12 VAL 90 -6.868 -3.340 1.735 580 HG13 VAL 90 HG13 VAL 90 -7.031 -2.970 0.018 581 HG21 VAL 90 HG21 VAL 90 -7.102 -0.736 -0.786 582 HG22 VAL 90 HG22 VAL 90 -7.051 0.648 0.306 583 HG23 VAL 90 HG23 VAL 90 -8.527 -0.309 0.160 584 H TYR 91 HN TYR 91 -8.901 1.361 2.799 585 HA TYR 91 HA TYR 91 -11.445 -0.002 2.233 586 HB2 TYR 91 HB2 TYR 91 -10.851 1.876 4.520 587 HB3 TYR 91 HB1 TYR 91 -12.490 1.600 3.941 588 HD1 TYR 91 HD1 TYR 91 -13.340 -0.815 3.916 589 HD2 TYR 91 HD2 TYR 91 -9.895 0.423 6.083 590 HE1 TYR 91 HE1 TYR 91 -13.517 -2.821 5.327 591 HE2 TYR 91 HE2 TYR 91 -10.063 -1.581 7.503 592 HH TYR 91 HH TYR 91 -12.253 -4.179 6.765 593 H GLN 92 HN GLN 92 -12.977 1.238 1.140 594 HA GLN 92 HA GLN 92 -11.916 3.337 -0.474 595 HB2 GLN 92 HB2 GLN 92 -13.739 1.613 -1.076 596 HB3 GLN 92 HB1 GLN 92 -14.841 2.676 -0.209 597 HG2 GLN 92 HG2 GLN 92 -13.686 4.476 -1.816 598 HG3 GLN 92 HG1 GLN 92 -13.508 3.036 -2.818 599 HE21 GLN 92 HE21 GLN 92 -15.727 5.263 -1.364 600 HE22 GLN 92 HE22 GLN 92 -17.125 4.769 -2.257 601 H GLU 93 HN GLU 93 -12.285 5.507 -0.388 602 HA GLU 93 HA GLU 93 -13.038 6.589 2.169 603 HB2 GLU 93 HB2 GLU 93 -11.904 7.660 -0.372 604 HB3 GLU 93 HB1 GLU 93 -12.694 8.789 0.722 605 HG2 GLU 93 HG2 GLU 93 -10.532 6.917 1.620 606 HG3 GLU 93 HG1 GLU 93 -10.194 8.518 0.964 607 H GLN 94 HN GLN 94 -14.642 8.211 2.480 608 HA GLN 94 HA GLN 94 -17.135 7.540 1.252 609 HB2 GLN 94 HB2 GLN 94 -16.783 8.278 3.652 610 HB3 GLN 94 HB1 GLN 94 -16.563 9.909 3.035 611 HG2 GLN 94 HG2 GLN 94 -18.847 9.714 2.004 612 HG3 GLN 94 HG1 GLN 94 -19.042 8.211 2.907 613 HE21 GLN 94 HE21 GLN 94 -20.748 9.036 4.108 614 HE22 GLN 94 HE22 GLN 94 -20.514 10.213 5.354 615 H THR 95 HN THR 95 -14.632 9.704 0.527 616 HA THR 95 HA THR 95 -16.205 11.668 -0.860 617 HB THR 95 HB THR 95 -13.562 11.844 -1.761 618 HG1 THR 95 HG1 THR 95 -12.779 11.844 0.690 619 HG21 THR 95 HG21 THR 95 -15.062 13.690 -1.064 620 HG22 THR 95 HG22 THR 95 -13.463 13.805 -0.328 621 HG23 THR 95 HG23 THR 95 -14.827 13.210 0.616 622 H GLY 96 HN GLY 96 -15.361 8.538 -1.562 623 HA2 GLY 96 HA2 GLY 96 -15.729 7.322 -3.495 624 HA3 GLY 96 HA1 GLY 96 -16.138 8.819 -4.318 625 H GLY 97 HN GLY 97 -14.540 9.990 -5.362 626 HA2 GLY 97 HA2 GLY 97 -12.309 8.427 -6.276 627 HA3 GLY 97 HA1 GLY 97 -12.705 10.069 -6.765 628 H1 ASP 195 HN ASP 195 -6.896 -21.171 -4.308 629 HA ASP 195 HA ASP 195 -8.682 -19.051 -4.114 630 HB2 ASP 195 HB2 ASP 195 -7.841 -19.482 -1.609 631 HB3 ASP 195 HB1 ASP 195 -6.503 -18.483 -2.164 632 H THR 196 HN THR 196 -7.465 -16.891 -4.480 633 HA THR 196 HA THR 196 -5.082 -17.427 -6.118 634 HB THR 196 HB THR 196 -7.293 -15.457 -6.731 635 HG1 THR 196 HG1 THR 196 -6.652 -18.057 -7.644 636 HG21 THR 196 HG21 THR 196 -6.111 -15.177 -8.894 637 HG22 THR 196 HG22 THR 196 -4.788 -16.161 -8.267 638 HG23 THR 196 HG23 THR 196 -5.164 -14.609 -7.518 639 H ALA 197 HN ALA 197 -3.360 -16.210 -5.773 640 HA ALA 197 HA ALA 197 -3.617 -13.883 -3.988 641 HB1 ALA 197 HB1 ALA 197 -1.301 -14.381 -3.256 642 HB2 ALA 197 HB2 ALA 197 -1.338 -15.853 -4.229 643 HB3 ALA 197 HB3 ALA 197 -2.441 -15.671 -2.864 644 H GLY 198 HN GLY 198 -2.796 -12.004 -4.673 645 HA2 GLY 198 HA2 GLY 198 -1.433 -12.009 -7.292 646 HA3 GLY 198 HA1 GLY 198 -2.564 -10.769 -6.783 647 H CYS 199 HN CYS 199 0.434 -10.966 -7.523 648 HA CYS 199 HA CYS 199 1.437 -9.492 -5.174 649 HB2 CYS 199 HB2 CYS 199 3.225 -10.765 -7.226 650 HB3 CYS 199 HB1 CYS 199 3.576 -10.358 -5.553 651 HG CYS 199 HG CYS 199 1.191 -12.540 -5.429 652 H ILE 200 HN ILE 200 2.026 -7.442 -5.455 653 HA ILE 200 HA ILE 200 2.303 -6.466 -8.217 654 HB ILE 200 HB ILE 200 0.302 -5.523 -7.514 655 HG12 ILE 200 HG12 ILE 200 2.334 -3.441 -6.680 656 HG13 ILE 200 HG11 ILE 200 1.899 -3.801 -8.349 657 HG21 ILE 200 HG21 ILE 200 1.502 -4.871 -4.830 658 HG22 ILE 200 HG22 ILE 200 0.447 -6.241 -5.166 659 HG23 ILE 200 HG23 ILE 200 -0.163 -4.595 -5.332 660 HD11 ILE 200 HD11 ILE 200 0.090 -2.707 -6.204 661 HD12 ILE 200 HD12 ILE 200 -0.433 -3.165 -7.828 662 HD13 ILE 200 HD13 ILE 200 0.712 -1.843 -7.615 663 H VAL 201 HN VAL 201 4.120 -5.451 -8.709 664 HA VAL 201 HA VAL 201 5.868 -4.606 -6.501 665 HB VAL 201 HB VAL 201 6.709 -6.651 -7.620 666 HG11 VAL 201 HG11 VAL 201 7.698 -6.418 -9.896 667 HG12 VAL 201 HG12 VAL 201 6.862 -4.874 -10.049 668 HG13 VAL 201 HG13 VAL 201 5.938 -6.365 -9.868 669 HG21 VAL 201 HG21 VAL 201 8.253 -5.148 -6.515 670 HG22 VAL 201 HG22 VAL 201 8.399 -4.181 -7.983 671 HG23 VAL 201 HG23 VAL 201 9.004 -5.837 -7.953 672 H ILE 202 HN ILE 202 6.612 -2.601 -6.584 673 HA ILE 202 HA ILE 202 6.189 -1.049 -9.035 674 HB ILE 202 HB ILE 202 4.875 0.390 -7.975 675 HG12 ILE 202 HG12 ILE 202 5.660 1.441 -5.718 676 HG13 ILE 202 HG11 ILE 202 7.190 0.654 -6.088 677 HG21 ILE 202 HG21 ILE 202 5.284 -1.342 -5.551 678 HG22 ILE 202 HG22 ILE 202 4.012 -1.496 -6.767 679 HG23 ILE 202 HG23 ILE 202 4.048 -0.094 -5.690 680 HD11 ILE 202 HD11 ILE 202 7.673 2.084 -7.729 681 HD12 ILE 202 HD12 ILE 202 6.592 3.142 -6.822 682 HD13 ILE 202 HD13 ILE 202 5.996 2.275 -8.238 683 H SEP 203 HN SEP 203 7.871 0.233 -9.741 684 HA SEP 203 HA SEP 203 10.273 0.124 -8.046 685 HB2 SEP 203 HB1 SEP 203 10.032 0.452 -11.042 686 HB3 SEP 203 HB2 SEP 203 10.390 -1.065 -10.228 687 H ASP 204 HN ASP 204 10.647 1.885 -7.095 688 HA ASP 204 HA ASP 204 10.412 4.402 -8.529 689 HB2 ASP 204 HB2 ASP 204 8.426 3.981 -7.064 690 HB3 ASP 204 HB1 ASP 204 9.501 4.113 -5.706 691 H SEP 205 HN SEP 205 12.137 5.783 -8.206 692 HA SEP 205 HA SEP 205 13.985 5.053 -6.042 693 HB2 SEP 205 HB1 SEP 205 15.208 6.301 -8.344 694 HB3 SEP 205 HB2 SEP 205 14.556 4.680 -8.638 695 H GLU 206 HN GLU 206 14.768 6.591 -4.763 696 HA GLU 206 HA GLU 206 14.014 9.351 -5.334 697 HB2 GLU 206 HB2 GLU 206 13.554 8.528 -3.078 698 HB3 GLU 206 HB1 GLU 206 15.245 8.107 -2.863 699 HG2 GLU 206 HG2 GLU 206 14.812 10.132 -1.691 700 HG3 GLU 206 HG1 GLU 206 15.821 10.504 -3.085 Start of MODEL 20 1 H1 TYR 21 HN TYR 21 13.552 -7.176 0.550 2 HA TYR 21 HA TYR 21 11.788 -5.770 -1.080 3 HB2 TYR 21 HB2 TYR 21 12.006 -8.695 -1.679 4 HB3 TYR 21 HB1 TYR 21 10.430 -7.917 -1.768 5 HD1 TYR 21 HD1 TYR 21 9.899 -6.388 -3.533 6 HD2 TYR 21 HD2 TYR 21 13.812 -8.034 -3.224 7 HE1 TYR 21 HE1 TYR 21 10.406 -5.589 -5.797 8 HE2 TYR 21 HE2 TYR 21 14.329 -7.236 -5.491 9 HH TYR 21 HH TYR 21 12.248 -5.058 -7.196 10 H ILE 22 HN ILE 22 10.092 -5.266 0.117 11 HA ILE 22 HA ILE 22 9.522 -6.911 2.500 12 HB ILE 22 HB ILE 22 8.980 -3.969 2.031 13 HG12 ILE 22 HG12 ILE 22 11.369 -4.501 2.362 14 HG13 ILE 22 HG11 ILE 22 10.713 -3.563 3.697 15 HG21 ILE 22 HG21 ILE 22 8.561 -5.608 4.523 16 HG22 ILE 22 HG22 ILE 22 7.284 -5.041 3.447 17 HG23 ILE 22 HG23 ILE 22 8.263 -3.880 4.344 18 HD11 ILE 22 HD11 ILE 22 11.231 -6.526 3.681 19 HD12 ILE 22 HD12 ILE 22 10.519 -5.621 5.017 20 HD13 ILE 22 HD13 ILE 22 12.178 -5.294 4.515 21 H LYS 23 HN LYS 23 7.760 -8.143 2.196 22 HA LYS 23 HA LYS 23 5.727 -7.236 0.311 23 HB2 LYS 23 HB2 LYS 23 6.551 -9.483 -0.013 24 HB3 LYS 23 HB1 LYS 23 6.170 -9.899 1.651 25 HG2 LYS 23 HG2 LYS 23 3.747 -9.073 0.738 26 HG3 LYS 23 HG1 LYS 23 4.447 -9.803 -0.708 27 HD2 LYS 23 HD2 LYS 23 3.184 -11.443 0.590 28 HD3 LYS 23 HD1 LYS 23 4.898 -11.855 0.539 29 HE2 LYS 23 HE2 LYS 23 4.112 -10.156 2.796 30 HE3 LYS 23 HE1 LYS 23 3.378 -11.755 2.797 31 HZ1 LYS 23 HZ1 LYS 23 5.270 -12.327 3.814 32 HZ2 LYS 23 HZ2 LYS 23 6.142 -10.986 3.230 33 HZ3 LYS 23 HZ3 LYS 23 5.921 -12.351 2.248 34 H LEU 24 HN LEU 24 4.107 -6.112 1.041 35 HA LEU 24 HA LEU 24 3.229 -6.398 3.819 36 HB2 LEU 24 HB2 LEU 24 2.319 -4.416 1.728 37 HB3 LEU 24 HB1 LEU 24 1.989 -4.346 3.448 38 HG LEU 24 HG LEU 24 4.766 -4.148 2.290 39 HD11 LEU 24 HD11 LEU 24 2.858 -1.949 3.078 40 HD12 LEU 24 HD12 LEU 24 3.470 -2.288 1.457 41 HD13 LEU 24 HD13 LEU 24 4.573 -1.728 2.717 42 HD21 LEU 24 HD21 LEU 24 5.306 -3.215 4.490 43 HD22 LEU 24 HD22 LEU 24 4.679 -4.860 4.615 44 HD23 LEU 24 HD23 LEU 24 3.643 -3.487 5.008 45 H LYS 25 HN LYS 25 1.347 -7.357 4.359 46 HA LYS 25 HA LYS 25 -0.168 -8.614 2.211 47 HB2 LYS 25 HB2 LYS 25 -0.352 -8.941 5.214 48 HB3 LYS 25 HB1 LYS 25 -1.303 -9.844 4.043 49 HG2 LYS 25 HG2 LYS 25 0.898 -10.647 3.079 50 HG3 LYS 25 HG1 LYS 25 1.658 -9.967 4.519 51 HD2 LYS 25 HD2 LYS 25 1.308 -12.222 5.048 52 HD3 LYS 25 HD1 LYS 25 -0.017 -11.371 5.848 53 HE2 LYS 25 HE2 LYS 25 -1.498 -11.937 3.970 54 HE3 LYS 25 HE1 LYS 25 -0.175 -12.799 3.189 55 HZ1 LYS 25 HZ1 LYS 25 -1.196 -13.507 5.879 56 HZ2 LYS 25 HZ2 LYS 25 -0.170 -14.419 4.891 57 HZ3 LYS 25 HZ3 LYS 25 -1.796 -14.203 4.455 58 H VAL 26 HN VAL 26 -1.647 -7.378 1.311 59 HA VAL 26 HA VAL 26 -3.193 -5.519 2.962 60 HB VAL 26 HB VAL 26 -3.585 -5.779 0.005 61 HG11 VAL 26 HG11 VAL 26 -3.511 -3.327 1.746 62 HG12 VAL 26 HG12 VAL 26 -4.969 -4.279 1.470 63 HG13 VAL 26 HG13 VAL 26 -4.167 -3.484 0.117 64 HG21 VAL 26 HG21 VAL 26 -1.296 -4.277 1.271 65 HG22 VAL 26 HG22 VAL 26 -1.752 -4.231 -0.433 66 HG23 VAL 26 HG23 VAL 26 -1.155 -5.731 0.280 67 H ILE 27 HN ILE 27 -4.505 -7.010 4.047 68 HA ILE 27 HA ILE 27 -6.065 -8.940 2.588 69 HB ILE 27 HB ILE 27 -6.466 -8.081 5.455 70 HG12 ILE 27 HG12 ILE 27 -4.126 -8.744 5.134 71 HG13 ILE 27 HG11 ILE 27 -4.990 -9.939 6.094 72 HG21 ILE 27 HG21 ILE 27 -7.454 -10.281 5.737 73 HG22 ILE 27 HG22 ILE 27 -7.128 -10.661 4.044 74 HG23 ILE 27 HG23 ILE 27 -8.284 -9.391 4.459 75 HD11 ILE 27 HD11 ILE 27 -4.227 -10.147 3.196 76 HD12 ILE 27 HD12 ILE 27 -5.236 -11.313 4.048 77 HD13 ILE 27 HD13 ILE 27 -3.564 -11.064 4.546 78 H GLY 28 HN GLY 28 -7.754 -8.365 1.417 79 HA2 GLY 28 HA2 GLY 28 -9.159 -5.892 1.876 80 HA3 GLY 28 HA1 GLY 28 -9.515 -7.082 0.631 81 H GLN 29 HN GLN 29 -11.522 -5.790 2.055 82 HA GLN 29 HA GLN 29 -12.447 -7.222 4.299 83 HB2 GLN 29 HB2 GLN 29 -13.187 -4.929 3.528 84 HB3 GLN 29 HB1 GLN 29 -14.173 -5.741 2.321 85 HG2 GLN 29 HG2 GLN 29 -15.520 -5.149 4.227 86 HG3 GLN 29 HG1 GLN 29 -15.386 -6.902 4.111 87 HE21 GLN 29 HE21 GLN 29 -14.241 -8.025 5.682 88 HE22 GLN 29 HE22 GLN 29 -13.752 -7.295 7.173 89 H ASP 30 HN ASP 30 -12.510 -7.974 0.944 90 HA ASP 30 HA ASP 30 -14.664 -9.909 1.250 91 HB2 ASP 30 HB2 ASP 30 -14.549 -10.206 -1.132 92 HB3 ASP 30 HB1 ASP 30 -14.507 -8.481 -0.796 93 H SER 31 HN SER 31 -11.951 -10.127 2.532 94 HA SER 31 HA SER 31 -10.452 -11.734 3.080 95 HB2 SER 31 HB2 SER 31 -12.350 -13.659 1.723 96 HB3 SER 31 HB1 SER 31 -11.162 -14.039 2.969 97 HG SER 31 HG SER 31 -12.488 -12.284 4.159 98 H SER 32 HN SER 32 -9.403 -10.438 1.181 99 HA SER 32 HA SER 32 -8.442 -12.401 -0.796 100 HB2 SER 32 HB2 SER 32 -7.909 -10.190 -2.108 101 HB3 SER 32 HB1 SER 32 -9.552 -10.833 -2.121 102 HG SER 32 HG SER 32 -10.220 -9.138 -1.060 103 H GLU 33 HN GLU 33 -6.375 -12.931 -0.464 104 HA GLU 33 HA GLU 33 -4.717 -11.235 1.216 105 HB2 GLU 33 HB2 GLU 33 -4.273 -13.988 0.056 106 HB3 GLU 33 HB1 GLU 33 -3.076 -13.135 1.024 107 HG2 GLU 33 HG2 GLU 33 -4.938 -12.970 2.793 108 HG3 GLU 33 HG1 GLU 33 -5.736 -14.231 1.853 109 H ILE 34 HN ILE 34 -4.271 -9.489 -0.066 110 HA ILE 34 HA ILE 34 -2.974 -9.909 -2.638 111 HB ILE 34 HB ILE 34 -3.784 -7.377 -1.203 112 HG12 ILE 34 HG12 ILE 34 -5.685 -8.656 -2.016 113 HG13 ILE 34 HG11 ILE 34 -5.474 -7.217 -3.007 114 HG21 ILE 34 HG21 ILE 34 -2.608 -7.698 -3.962 115 HG22 ILE 34 HG22 ILE 34 -1.833 -6.931 -2.574 116 HG23 ILE 34 HG23 ILE 34 -3.268 -6.203 -3.298 117 HD11 ILE 34 HD11 ILE 34 -4.775 -10.053 -3.710 118 HD12 ILE 34 HD12 ILE 34 -4.281 -8.661 -4.671 119 HD13 ILE 34 HD13 ILE 34 -5.993 -9.018 -4.453 120 H HIS 35 HN HIS 35 -0.836 -9.893 -2.903 121 HA HIS 35 HA HIS 35 0.833 -9.126 -0.606 122 HB2 HIS 35 HB2 HIS 35 1.693 -10.707 -3.033 123 HB3 HIS 35 HB1 HIS 35 2.555 -10.528 -1.514 124 HD2 HIS 35 HD2 HIS 35 0.264 -11.476 0.573 125 HE1 HIS 35 HE1 HIS 35 0.125 -14.949 -1.849 126 HE2 HIS 35 HE2 HIS 35 -0.471 -13.965 0.408 127 H PHE 36 HN PHE 36 1.647 -7.140 -0.725 128 HA PHE 36 HA PHE 36 2.449 -6.123 -3.375 129 HB2 PHE 36 HB2 PHE 36 0.619 -4.923 -1.867 130 HB3 PHE 36 HB1 PHE 36 2.043 -4.275 -1.059 131 HD1 PHE 36 HD1 PHE 36 3.743 -4.228 -3.658 132 HD2 PHE 36 HD2 PHE 36 -0.143 -2.798 -2.672 133 HE1 PHE 36 HE1 PHE 36 3.939 -2.510 -5.399 134 HE2 PHE 36 HE2 PHE 36 0.050 -1.074 -4.419 135 HZ PHE 36 HZ PHE 36 2.091 -0.932 -5.787 136 H LYS 37 HN LYS 37 4.573 -6.393 -3.598 137 HA LYS 37 HA LYS 37 6.282 -6.239 -1.249 138 HB2 LYS 37 HB2 LYS 37 8.056 -7.095 -2.739 139 HB3 LYS 37 HB1 LYS 37 6.648 -8.144 -2.686 140 HG2 LYS 37 HG2 LYS 37 5.992 -6.696 -4.818 141 HG3 LYS 37 HG1 LYS 37 7.747 -6.544 -4.912 142 HD2 LYS 37 HD2 LYS 37 6.196 -9.126 -4.775 143 HD3 LYS 37 HD1 LYS 37 6.948 -8.447 -6.216 144 HE2 LYS 37 HE2 LYS 37 9.140 -8.669 -5.206 145 HE3 LYS 37 HE1 LYS 37 8.416 -9.261 -3.712 146 HZ1 LYS 37 HZ1 LYS 37 9.347 -10.916 -5.474 147 HZ2 LYS 37 HZ2 LYS 37 7.848 -10.674 -6.220 148 HZ3 LYS 37 HZ3 LYS 37 7.917 -11.277 -4.642 149 H VAL 38 HN VAL 38 7.296 -4.499 -0.697 150 HA VAL 38 HA VAL 38 7.761 -2.402 -2.716 151 HB VAL 38 HB VAL 38 7.719 -0.764 -0.943 152 HG11 VAL 38 HG11 VAL 38 5.559 -1.683 -1.925 153 HG12 VAL 38 HG12 VAL 38 5.434 -0.787 -0.412 154 HG13 VAL 38 HG13 VAL 38 5.366 -2.550 -0.400 155 HG21 VAL 38 HG21 VAL 38 8.765 -2.081 0.826 156 HG22 VAL 38 HG22 VAL 38 7.312 -3.072 0.964 157 HG23 VAL 38 HG23 VAL 38 7.258 -1.361 1.390 158 H LYS 39 HN LYS 39 9.655 -0.903 -1.825 159 HA LYS 39 HA LYS 39 11.853 -2.601 -0.884 160 HB2 LYS 39 HB2 LYS 39 11.553 -1.540 -3.532 161 HB3 LYS 39 HB1 LYS 39 12.924 -0.761 -2.756 162 HG2 LYS 39 HG2 LYS 39 14.019 -2.823 -2.407 163 HG3 LYS 39 HG1 LYS 39 12.573 -3.744 -2.826 164 HD2 LYS 39 HD2 LYS 39 14.028 -3.853 -4.699 165 HD3 LYS 39 HD1 LYS 39 12.732 -2.735 -5.125 166 HE2 LYS 39 HE2 LYS 39 14.207 -0.848 -4.531 167 HE3 LYS 39 HE1 LYS 39 15.504 -1.993 -4.191 168 HZ1 LYS 39 HZ1 LYS 39 15.256 -2.752 -6.542 169 HZ2 LYS 39 HZ2 LYS 39 15.823 -1.173 -6.370 170 HZ3 LYS 39 HZ3 LYS 39 14.210 -1.445 -6.808 171 H MET 40 HN MET 40 13.571 -1.430 0.119 172 HA MET 40 HA MET 40 12.671 0.873 1.564 173 HB2 MET 40 HB2 MET 40 14.172 -0.983 2.445 174 HB3 MET 40 HB1 MET 40 15.470 -0.266 1.506 175 HG2 MET 40 HG2 MET 40 15.601 0.437 3.807 176 HG3 MET 40 HG1 MET 40 15.238 1.810 2.764 177 HE1 MET 40 HE1 MET 40 12.713 -1.005 4.055 178 HE2 MET 40 HE2 MET 40 12.226 -0.256 5.577 179 HE3 MET 40 HE3 MET 40 13.901 -0.755 5.335 180 H THR 41 HN THR 41 12.335 2.005 -0.577 181 HA THR 41 HA THR 41 14.113 4.125 -0.863 182 HB THR 41 HB THR 41 15.519 2.309 -1.969 183 HG1 THR 41 HG1 THR 41 15.644 3.818 -4.016 184 HG21 THR 41 HG21 THR 41 13.893 1.044 -3.159 185 HG22 THR 41 HG22 THR 41 14.884 1.852 -4.372 186 HG23 THR 41 HG23 THR 41 13.272 2.478 -3.994 187 H THR 42 HN THR 42 11.527 2.155 -2.001 188 HA THR 42 HA THR 42 10.582 3.926 -4.008 189 HB THR 42 HB THR 42 8.691 2.505 -4.200 190 HG1 THR 42 HG1 THR 42 8.560 2.443 -1.678 191 HG21 THR 42 HG21 THR 42 11.273 1.475 -4.216 192 HG22 THR 42 HG22 THR 42 9.843 0.754 -4.953 193 HG23 THR 42 HG23 THR 42 10.331 0.276 -3.324 194 H HIS 43 HN HIS 43 9.256 5.666 -3.829 195 HA HIS 43 HA HIS 43 8.649 6.618 -1.170 196 HB2 HIS 43 HB2 HIS 43 7.523 7.881 -3.655 197 HB3 HIS 43 HB1 HIS 43 7.999 8.644 -2.152 198 HD2 HIS 43 HD2 HIS 43 11.196 7.191 -2.531 199 HE1 HIS 43 HE1 HIS 43 11.194 10.008 -5.671 200 HE2 HIS 43 HE2 HIS 43 12.622 8.563 -4.174 201 H LEU 44 HN LEU 44 6.658 6.604 -0.180 202 HA LEU 44 HA LEU 44 4.818 4.643 -0.986 203 HB2 LEU 44 HB2 LEU 44 4.866 6.705 1.147 204 HB3 LEU 44 HB1 LEU 44 3.338 5.924 0.786 205 HG LEU 44 HG LEU 44 5.841 4.371 1.423 206 HD11 LEU 44 HD11 LEU 44 5.369 5.774 3.331 207 HD12 LEU 44 HD12 LEU 44 4.916 4.108 3.689 208 HD13 LEU 44 HD13 LEU 44 3.673 5.296 3.299 209 HD21 LEU 44 HD21 LEU 44 4.078 3.165 0.237 210 HD22 LEU 44 HD22 LEU 44 2.916 3.638 1.478 211 HD23 LEU 44 HD23 LEU 44 4.262 2.574 1.889 212 H LYS 45 HN LYS 45 5.145 7.894 -1.936 213 HA LYS 45 HA LYS 45 2.501 8.574 -2.582 214 HB2 LYS 45 HB2 LYS 45 4.171 10.280 -2.678 215 HB3 LYS 45 HB1 LYS 45 5.150 9.354 -3.805 216 HG2 LYS 45 HG2 LYS 45 4.164 11.054 -5.080 217 HG3 LYS 45 HG1 LYS 45 3.238 9.598 -5.451 218 HD2 LYS 45 HD2 LYS 45 1.603 10.346 -3.671 219 HD3 LYS 45 HD1 LYS 45 2.466 11.887 -3.654 220 HE2 LYS 45 HE2 LYS 45 2.056 11.978 -6.154 221 HE3 LYS 45 HE1 LYS 45 0.946 10.629 -5.922 222 HZ1 LYS 45 HZ1 LYS 45 0.728 13.375 -4.850 223 HZ2 LYS 45 HZ2 LYS 45 -0.174 12.095 -4.207 224 HZ3 LYS 45 HZ3 LYS 45 -0.371 12.543 -5.834 225 H LYS 46 HN LYS 46 5.036 7.056 -4.533 226 HA LYS 46 HA LYS 46 3.427 6.641 -6.826 227 HB2 LYS 46 HB2 LYS 46 5.909 6.720 -6.832 228 HB3 LYS 46 HB1 LYS 46 5.937 5.177 -5.991 229 HG2 LYS 46 HG2 LYS 46 4.952 4.063 -7.861 230 HG3 LYS 46 HG1 LYS 46 4.678 5.598 -8.689 231 HD2 LYS 46 HD2 LYS 46 7.449 5.320 -7.945 232 HD3 LYS 46 HD1 LYS 46 6.919 3.935 -8.892 233 HE2 LYS 46 HE2 LYS 46 7.747 5.583 -10.401 234 HE3 LYS 46 HE1 LYS 46 5.995 5.513 -10.571 235 HZ1 LYS 46 HZ1 LYS 46 7.027 7.797 -10.461 236 HZ2 LYS 46 HZ2 LYS 46 7.332 7.497 -8.825 237 HZ3 LYS 46 HZ3 LYS 46 5.742 7.516 -9.399 238 H LEU 47 HN LEU 47 4.012 4.829 -3.916 239 HA LEU 47 HA LEU 47 3.087 2.310 -4.759 240 HB2 LEU 47 HB2 LEU 47 3.642 3.650 -2.207 241 HB3 LEU 47 HB1 LEU 47 2.413 2.405 -2.113 242 HG LEU 47 HG LEU 47 4.594 1.501 -1.551 243 HD11 LEU 47 HD11 LEU 47 2.881 0.153 -2.790 244 HD12 LEU 47 HD12 LEU 47 4.541 -0.413 -2.934 245 HD13 LEU 47 HD13 LEU 47 3.796 0.475 -4.260 246 HD21 LEU 47 HD21 LEU 47 5.398 2.379 -4.321 247 HD22 LEU 47 HD22 LEU 47 6.359 1.349 -3.260 248 HD23 LEU 47 HD23 LEU 47 6.016 3.015 -2.796 249 H LYS 48 HN LYS 48 1.437 4.954 -3.097 250 HA LYS 48 HA LYS 48 -1.071 3.747 -2.879 251 HB2 LYS 48 HB2 LYS 48 -0.393 6.684 -3.081 252 HB3 LYS 48 HB1 LYS 48 -1.921 6.028 -2.508 253 HG2 LYS 48 HG2 LYS 48 -0.801 4.985 -0.630 254 HG3 LYS 48 HG1 LYS 48 0.761 5.551 -1.223 255 HD2 LYS 48 HD2 LYS 48 0.092 7.042 0.501 256 HD3 LYS 48 HD1 LYS 48 -0.141 7.894 -1.028 257 HE2 LYS 48 HE2 LYS 48 -2.524 7.276 -0.969 258 HE3 LYS 48 HE1 LYS 48 -2.266 6.509 0.598 259 HZ1 LYS 48 HZ1 LYS 48 -3.173 8.839 0.631 260 HZ2 LYS 48 HZ2 LYS 48 -1.654 9.370 0.100 261 HZ3 LYS 48 HZ3 LYS 48 -1.810 8.572 1.596 262 H GLU 49 HN GLU 49 0.230 5.830 -5.465 263 HA GLU 49 HA GLU 49 -2.247 5.877 -6.881 264 HB2 GLU 49 HB2 GLU 49 -0.968 6.901 -8.711 265 HB3 GLU 49 HB1 GLU 49 -0.688 7.691 -7.170 266 HG2 GLU 49 HG2 GLU 49 1.432 6.449 -6.962 267 HG3 GLU 49 HG1 GLU 49 1.156 5.769 -8.566 268 H SER 50 HN SER 50 0.635 3.836 -7.074 269 HA SER 50 HA SER 50 -0.073 2.586 -9.513 270 HB2 SER 50 HB2 SER 50 1.691 1.579 -7.271 271 HB3 SER 50 HB1 SER 50 1.587 0.864 -8.881 272 HG SER 50 HG SER 50 2.601 3.390 -8.117 273 H TYR 51 HN TYR 51 -0.863 1.882 -6.139 274 HA TYR 51 HA TYR 51 -1.977 -0.675 -6.558 275 HB2 TYR 51 HB2 TYR 51 -1.457 0.376 -4.318 276 HB3 TYR 51 HB1 TYR 51 -2.915 1.341 -4.507 277 HD1 TYR 51 HD1 TYR 51 -1.710 -2.174 -4.329 278 HD2 TYR 51 HD2 TYR 51 -5.000 0.480 -3.859 279 HE1 TYR 51 HE1 TYR 51 -3.026 -3.996 -3.334 280 HE2 TYR 51 HE2 TYR 51 -6.328 -1.335 -2.863 281 HH TYR 51 HH TYR 51 -6.394 -3.775 -2.845 282 H CYS 52 HN CYS 52 -3.340 2.569 -6.715 283 HA CYS 52 HA CYS 52 -6.017 1.833 -7.169 284 HB2 CYS 52 HB2 CYS 52 -4.585 4.321 -8.132 285 HB3 CYS 52 HB1 CYS 52 -6.324 4.127 -7.940 286 HG CYS 52 HG CYS 52 -4.019 4.162 -5.406 287 H GLN 53 HN GLN 53 -3.275 2.311 -9.328 288 HA GLN 53 HA GLN 53 -4.715 2.151 -11.759 289 HB2 GLN 53 HB2 GLN 53 -1.816 1.533 -11.180 290 HB3 GLN 53 HB1 GLN 53 -2.506 1.696 -12.788 291 HG2 GLN 53 HG2 GLN 53 -3.124 4.029 -12.221 292 HG3 GLN 53 HG1 GLN 53 -2.271 3.835 -10.690 293 HE21 GLN 53 HE21 GLN 53 -1.779 5.649 -12.948 294 HE22 GLN 53 HE22 GLN 53 -0.140 5.357 -13.427 295 H ARG 54 HN ARG 54 -3.197 -0.248 -9.692 296 HA ARG 54 HA ARG 54 -3.459 -2.445 -11.465 297 HB2 ARG 54 HB2 ARG 54 -1.904 -2.615 -9.664 298 HB3 ARG 54 HB1 ARG 54 -3.141 -2.258 -8.471 299 HG2 ARG 54 HG2 ARG 54 -3.199 -4.464 -8.157 300 HG3 ARG 54 HG1 ARG 54 -4.147 -4.501 -9.644 301 HD2 ARG 54 HD2 ARG 54 -2.224 -5.014 -10.948 302 HD3 ARG 54 HD1 ARG 54 -1.144 -4.709 -9.591 303 HE ARG 54 HE ARG 54 -3.035 -6.790 -9.055 304 HH11 ARG 54 HH11 ARG 54 0.054 -6.079 -10.550 305 HH12 ARG 54 HH12 ARG 54 0.638 -7.706 -10.397 306 HH21 ARG 54 HH21 ARG 54 -2.269 -8.923 -8.852 307 HH22 ARG 54 HH22 ARG 54 -0.682 -9.325 -9.435 308 H GLN 55 HN GLN 55 -5.507 -1.132 -8.912 309 HA GLN 55 HA GLN 55 -7.464 -3.205 -9.086 310 HB2 GLN 55 HB2 GLN 55 -7.601 -0.455 -7.842 311 HB3 GLN 55 HB1 GLN 55 -8.815 -1.710 -7.640 312 HG2 GLN 55 HG2 GLN 55 -5.944 -1.848 -6.754 313 HG3 GLN 55 HG1 GLN 55 -7.350 -1.608 -5.719 314 HE21 GLN 55 HE21 GLN 55 -8.785 -3.327 -5.405 315 HE22 GLN 55 HE22 GLN 55 -8.301 -4.968 -5.665 316 H GLY 56 HN GLY 56 -7.046 -0.039 -10.548 317 HA2 GLY 56 HA2 GLY 56 -7.998 0.492 -12.668 318 HA3 GLY 56 HA1 GLY 56 -9.285 -0.664 -12.346 319 H VAL 57 HN VAL 57 -8.131 1.748 -10.100 320 HA VAL 57 HA VAL 57 -10.606 3.293 -10.465 321 HB VAL 57 HB VAL 57 -10.658 3.620 -7.962 322 HG11 VAL 57 HG11 VAL 57 -11.693 1.422 -7.484 323 HG12 VAL 57 HG12 VAL 57 -11.071 0.831 -9.026 324 HG13 VAL 57 HG13 VAL 57 -12.251 2.144 -8.995 325 HG21 VAL 57 HG21 VAL 57 -8.420 2.984 -7.378 326 HG22 VAL 57 HG22 VAL 57 -8.657 1.368 -8.041 327 HG23 VAL 57 HG23 VAL 57 -9.537 1.864 -6.597 328 HA PRO 58 HA PRO 58 -7.892 6.793 -10.359 329 HB2 PRO 58 HB2 PRO 58 -9.425 8.688 -9.158 330 HB3 PRO 58 HB1 PRO 58 -9.719 8.132 -10.811 331 HG2 PRO 58 HG2 PRO 58 -11.110 7.344 -8.292 332 HG3 PRO 58 HG1 PRO 58 -11.792 7.681 -9.896 333 HD2 PRO 58 HD2 PRO 58 -11.399 5.164 -8.991 334 HD3 PRO 58 HD1 PRO 58 -11.281 5.597 -10.708 335 H MET 59 HN MET 59 -6.681 8.208 -8.892 336 HA MET 59 HA MET 59 -6.065 6.896 -6.439 337 HB2 MET 59 HB2 MET 59 -4.472 8.259 -7.901 338 HB3 MET 59 HB1 MET 59 -5.203 9.688 -7.186 339 HG2 MET 59 HG2 MET 59 -4.485 9.009 -4.990 340 HG3 MET 59 HG1 MET 59 -3.860 7.492 -5.629 341 HE1 MET 59 HE1 MET 59 -2.034 9.592 -3.819 342 HE2 MET 59 HE2 MET 59 -0.545 9.243 -4.702 343 HE3 MET 59 HE3 MET 59 -1.691 7.947 -4.355 344 H ASN 60 HN ASN 60 -6.204 7.819 -4.309 345 HA ASN 60 HA ASN 60 -7.199 8.865 -2.557 346 HB2 ASN 60 HB2 ASN 60 -6.936 10.927 -4.137 347 HB3 ASN 60 HB1 ASN 60 -8.666 10.746 -4.392 348 HD21 ASN 60 HD21 ASN 60 -10.049 11.472 -2.878 349 HD22 ASN 60 HD22 ASN 60 -9.566 12.215 -1.393 350 H SER 61 HN SER 61 -8.433 6.742 -4.298 351 HA SER 61 HA SER 61 -11.265 7.109 -3.639 352 HB2 SER 61 HB2 SER 61 -11.581 5.062 -5.045 353 HB3 SER 61 HB1 SER 61 -10.834 6.397 -5.924 354 HG SER 61 HG SER 61 -9.171 5.173 -6.254 355 H LEU 62 HN LEU 62 -8.427 5.356 -2.816 356 HA LEU 62 HA LEU 62 -9.918 3.815 -0.803 357 HB2 LEU 62 HB2 LEU 62 -7.385 2.983 -2.231 358 HB3 LEU 62 HB1 LEU 62 -8.255 2.044 -1.034 359 HG LEU 62 HG LEU 62 -9.460 2.828 -3.681 360 HD11 LEU 62 HD11 LEU 62 -8.928 0.554 -4.429 361 HD12 LEU 62 HD12 LEU 62 -8.007 0.294 -2.947 362 HD13 LEU 62 HD13 LEU 62 -7.475 1.504 -4.115 363 HD21 LEU 62 HD21 LEU 62 -10.199 0.842 -1.545 364 HD22 LEU 62 HD22 LEU 62 -10.912 0.852 -3.157 365 HD23 LEU 62 HD23 LEU 62 -11.126 2.240 -2.091 366 H ARG 63 HN ARG 63 -9.073 3.813 1.252 367 HA ARG 63 HA ARG 63 -6.776 5.598 1.667 368 HB2 ARG 63 HB2 ARG 63 -7.672 5.901 3.982 369 HB3 ARG 63 HB1 ARG 63 -8.716 6.518 2.709 370 HG2 ARG 63 HG2 ARG 63 -10.156 4.583 2.902 371 HG3 ARG 63 HG1 ARG 63 -9.076 3.872 4.105 372 HD2 ARG 63 HD2 ARG 63 -9.560 5.633 5.662 373 HD3 ARG 63 HD1 ARG 63 -10.471 6.524 4.443 374 HE ARG 63 HE ARG 63 -11.329 4.085 5.825 375 HH11 ARG 63 HH11 ARG 63 -12.035 6.757 3.660 376 HH12 ARG 63 HH12 ARG 63 -13.750 6.453 3.682 377 HH21 ARG 63 HH21 ARG 63 -14.617 4.728 4.883 378 HH22 ARG 63 HH22 ARG 63 -13.572 3.686 5.797 379 H PHE 64 HN PHE 64 -4.955 4.699 2.265 380 HA PHE 64 HA PHE 64 -4.886 1.962 3.205 381 HB2 PHE 64 HB2 PHE 64 -2.825 3.987 2.396 382 HB3 PHE 64 HB1 PHE 64 -2.338 2.574 3.326 383 HD1 PHE 64 HD1 PHE 64 -3.295 3.833 0.092 384 HD2 PHE 64 HD2 PHE 64 -2.745 0.300 2.395 385 HE1 PHE 64 HE1 PHE 64 -3.211 2.501 -1.974 386 HE2 PHE 64 HE2 PHE 64 -2.657 -1.039 0.333 387 HZ PHE 64 HZ PHE 64 -2.887 0.063 -1.856 388 H LEU 65 HN LEU 65 -4.953 1.410 5.285 389 HA LEU 65 HA LEU 65 -4.321 3.485 7.275 390 HB2 LEU 65 HB2 LEU 65 -6.185 1.130 7.557 391 HB3 LEU 65 HB1 LEU 65 -5.874 2.347 8.778 392 HG LEU 65 HG LEU 65 -7.172 2.883 6.103 393 HD11 LEU 65 HD11 LEU 65 -8.403 2.734 8.849 394 HD12 LEU 65 HD12 LEU 65 -8.567 1.516 7.584 395 HD13 LEU 65 HD13 LEU 65 -9.232 3.131 7.342 396 HD21 LEU 65 HD21 LEU 65 -7.748 5.056 7.179 397 HD22 LEU 65 HD22 LEU 65 -6.028 4.833 6.865 398 HD23 LEU 65 HD23 LEU 65 -6.658 4.633 8.500 399 H PHE 66 HN PHE 66 -2.666 3.166 8.527 400 HA PHE 66 HA PHE 66 -1.757 0.423 9.088 401 HB2 PHE 66 HB2 PHE 66 -0.196 1.409 7.501 402 HB3 PHE 66 HB1 PHE 66 -0.048 2.851 8.498 403 HD1 PHE 66 HD1 PHE 66 0.331 -0.847 8.863 404 HD2 PHE 66 HD2 PHE 66 1.835 3.023 9.783 405 HE1 PHE 66 HE1 PHE 66 2.219 -1.869 10.063 406 HE2 PHE 66 HE2 PHE 66 3.726 2.004 10.982 407 HZ PHE 66 HZ PHE 66 3.919 -0.440 11.122 408 H GLU 67 HN GLU 67 -2.038 0.048 11.182 409 HA GLU 67 HA GLU 67 -2.133 0.294 13.443 410 HB2 GLU 67 HB2 GLU 67 -0.376 2.694 12.873 411 HB3 GLU 67 HB1 GLU 67 -0.769 2.130 14.491 412 HG2 GLU 67 HG2 GLU 67 0.607 0.436 12.423 413 HG3 GLU 67 HG1 GLU 67 1.455 1.408 13.624 414 H GLY 68 HN GLY 68 -3.955 1.696 11.484 415 HA2 GLY 68 HA2 GLY 68 -6.047 2.661 11.993 416 HA3 GLY 68 HA1 GLY 68 -5.361 3.306 13.478 417 H GLN 69 HN GLN 69 -2.999 4.143 11.649 418 HA GLN 69 HA GLN 69 -4.099 6.781 11.065 419 HB2 GLN 69 HB2 GLN 69 -1.225 5.864 10.891 420 HB3 GLN 69 HB1 GLN 69 -1.811 7.520 10.911 421 HG2 GLN 69 HG2 GLN 69 -2.526 7.288 13.199 422 HG3 GLN 69 HG1 GLN 69 -2.088 5.580 13.193 423 HE21 GLN 69 HE21 GLN 69 -1.126 7.653 14.947 424 HE22 GLN 69 HE22 GLN 69 0.590 7.731 14.732 425 H ARG 70 HN ARG 70 -4.259 7.632 9.036 426 HA ARG 70 HA ARG 70 -4.060 5.787 6.836 427 HB2 ARG 70 HB2 ARG 70 -4.898 7.737 5.480 428 HB3 ARG 70 HB1 ARG 70 -5.952 7.218 6.784 429 HG2 ARG 70 HG2 ARG 70 -5.048 9.071 8.174 430 HG3 ARG 70 HG1 ARG 70 -4.149 9.625 6.761 431 HD2 ARG 70 HD2 ARG 70 -7.145 9.293 6.869 432 HD3 ARG 70 HD1 ARG 70 -6.300 10.819 7.106 433 HE ARG 70 HE ARG 70 -5.440 10.500 4.781 434 HH11 ARG 70 HH11 ARG 70 -9.078 8.911 4.162 435 HH12 ARG 70 HH12 ARG 70 -8.445 8.967 5.779 436 HH21 ARG 70 HH21 ARG 70 -7.875 9.713 2.411 437 HH22 ARG 70 HH22 ARG 70 -6.304 10.418 2.674 438 H ILE 71 HN ILE 71 -2.552 5.677 5.313 439 HA ILE 71 HA ILE 71 -0.014 6.872 5.762 440 HB ILE 71 HB ILE 71 -1.025 5.379 3.336 441 HG12 ILE 71 HG12 ILE 71 -1.138 4.075 5.432 442 HG13 ILE 71 HG11 ILE 71 0.057 3.421 4.320 443 HG21 ILE 71 HG21 ILE 71 0.948 6.685 2.789 444 HG22 ILE 71 HG22 ILE 71 1.356 4.971 2.856 445 HG23 ILE 71 HG23 ILE 71 1.792 6.032 4.194 446 HD11 ILE 71 HD11 ILE 71 0.558 5.051 6.794 447 HD12 ILE 71 HD12 ILE 71 1.810 4.624 5.630 448 HD13 ILE 71 HD13 ILE 71 0.964 3.359 6.519 449 H ALA 72 HN ALA 72 0.807 8.726 5.048 450 HA ALA 72 HA ALA 72 -0.799 10.455 3.364 451 HB1 ALA 72 HB1 ALA 72 1.902 10.923 4.629 452 HB2 ALA 72 HB2 ALA 72 0.342 11.369 5.325 453 HB3 ALA 72 HB3 ALA 72 0.901 12.145 3.839 454 H ASP 73 HN ASP 73 0.252 11.626 1.537 455 HA ASP 73 HA ASP 73 1.319 9.737 -0.311 456 HB2 ASP 73 HB2 ASP 73 0.705 12.672 -0.431 457 HB3 ASP 73 HB1 ASP 73 1.615 11.910 -1.729 458 H ASN 74 HN ASN 74 2.684 12.226 1.719 459 HA ASN 74 HA ASN 74 5.296 11.968 0.457 460 HB2 ASN 74 HB2 ASN 74 5.981 13.814 1.866 461 HB3 ASN 74 HB1 ASN 74 4.438 14.211 1.111 462 HD21 ASN 74 HD21 ASN 74 6.101 13.581 4.055 463 HD22 ASN 74 HD22 ASN 74 4.791 13.937 5.126 464 H HIS 75 HN HIS 75 3.758 10.018 2.412 465 HA HIS 75 HA HIS 75 5.545 9.769 4.631 466 HB2 HIS 75 HB2 HIS 75 3.077 8.536 3.739 467 HB3 HIS 75 HB1 HIS 75 4.212 7.329 4.325 468 HD2 HIS 75 HD2 HIS 75 5.388 9.366 6.754 469 HE1 HIS 75 HE1 HIS 75 1.417 8.899 8.138 470 HE2 HIS 75 HE2 HIS 75 3.774 9.582 8.776 471 H THR 76 HN THR 76 7.075 8.144 5.010 472 HA THR 76 HA THR 76 8.025 6.770 2.580 473 HB THR 76 HB THR 76 10.305 6.842 3.711 474 HG1 THR 76 HG1 THR 76 8.823 8.604 5.388 475 HG21 THR 76 HG21 THR 76 9.818 8.250 1.808 476 HG22 THR 76 HG22 THR 76 10.756 9.164 2.991 477 HG23 THR 76 HG23 THR 76 9.017 9.428 2.846 478 HA PRO 77 HA PRO 77 7.673 2.960 4.813 479 HB2 PRO 77 HB2 PRO 77 10.099 1.901 3.582 480 HB3 PRO 77 HB1 PRO 77 8.416 1.447 3.287 481 HG2 PRO 77 HG2 PRO 77 9.892 2.745 1.446 482 HG3 PRO 77 HG1 PRO 77 8.140 2.973 1.606 483 HD2 PRO 77 HD2 PRO 77 10.360 4.722 2.582 484 HD3 PRO 77 HD1 PRO 77 8.823 5.170 1.813 485 H LYS 78 HN LYS 78 10.397 4.935 5.124 486 HA LYS 78 HA LYS 78 11.902 3.304 6.933 487 HB2 LYS 78 HB2 LYS 78 13.013 4.984 5.568 488 HB3 LYS 78 HB1 LYS 78 12.056 6.258 6.304 489 HG2 LYS 78 HG2 LYS 78 14.347 6.173 7.176 490 HG3 LYS 78 HG1 LYS 78 13.142 5.903 8.434 491 HD2 LYS 78 HD2 LYS 78 14.984 4.356 8.712 492 HD3 LYS 78 HD1 LYS 78 13.529 3.474 8.244 493 HE2 LYS 78 HE2 LYS 78 14.325 3.377 5.934 494 HE3 LYS 78 HE1 LYS 78 15.768 4.283 6.384 495 HZ1 LYS 78 HZ1 LYS 78 15.007 1.602 7.408 496 HZ2 LYS 78 HZ2 LYS 78 16.379 2.470 7.870 497 HZ3 LYS 78 HZ3 LYS 78 16.224 1.922 6.282 498 H GLU 79 HN GLU 79 9.668 6.033 7.265 499 HA GLU 79 HA GLU 79 9.897 6.034 10.138 500 HB2 GLU 79 HB2 GLU 79 8.235 7.815 10.072 501 HB3 GLU 79 HB1 GLU 79 9.521 8.127 8.914 502 HG2 GLU 79 HG2 GLU 79 7.948 7.020 7.208 503 HG3 GLU 79 HG1 GLU 79 6.694 7.308 8.411 504 H LEU 80 HN LEU 80 7.589 6.210 11.268 505 HA LEU 80 HA LEU 80 5.724 5.177 12.018 506 HB2 LEU 80 HB2 LEU 80 5.654 4.025 9.236 507 HB3 LEU 80 HB1 LEU 80 4.431 3.694 10.445 508 HG LEU 80 HG LEU 80 5.097 6.451 9.412 509 HD11 LEU 80 HD11 LEU 80 4.140 5.181 7.622 510 HD12 LEU 80 HD12 LEU 80 2.905 6.265 8.258 511 HD13 LEU 80 HD13 LEU 80 2.877 4.554 8.679 512 HD21 LEU 80 HD21 LEU 80 2.906 7.005 10.482 513 HD22 LEU 80 HD22 LEU 80 4.188 6.586 11.617 514 HD23 LEU 80 HD23 LEU 80 2.935 5.409 11.230 515 H GLY 81 HN GLY 81 7.166 2.651 9.956 516 HA2 GLY 81 HA2 GLY 81 8.683 1.102 11.314 517 HA3 GLY 81 HA1 GLY 81 7.277 0.934 12.356 518 H MET 82 HN MET 82 8.235 0.599 8.950 519 HA MET 82 HA MET 82 6.176 -1.446 8.589 520 HB2 MET 82 HB2 MET 82 7.816 0.238 6.748 521 HB3 MET 82 HB1 MET 82 7.225 -1.309 6.156 522 HG2 MET 82 HG2 MET 82 4.940 -0.633 6.675 523 HG3 MET 82 HG1 MET 82 5.529 0.919 7.262 524 HE1 MET 82 HE1 MET 82 3.764 2.022 5.723 525 HE2 MET 82 HE2 MET 82 3.252 0.543 4.907 526 HE3 MET 82 HE3 MET 82 3.757 1.943 3.959 527 H GLU 83 HN GLU 83 6.656 -3.548 7.874 528 HA GLU 83 HA GLU 83 9.404 -4.389 7.642 529 HB2 GLU 83 HB2 GLU 83 8.072 -4.543 10.163 530 HB3 GLU 83 HB1 GLU 83 8.289 -6.178 9.553 531 HG2 GLU 83 HG2 GLU 83 10.426 -4.112 10.010 532 HG3 GLU 83 HG1 GLU 83 10.167 -5.605 10.913 533 H GLU 84 HN GLU 84 9.439 -6.898 7.467 534 HA GLU 84 HA GLU 84 7.756 -7.614 5.291 535 HB2 GLU 84 HB2 GLU 84 9.958 -8.526 5.349 536 HB3 GLU 84 HB1 GLU 84 9.743 -9.135 6.981 537 HG2 GLU 84 HG2 GLU 84 9.662 -11.012 5.598 538 HG3 GLU 84 HG1 GLU 84 7.987 -10.682 6.029 539 H GLU 85 HN GLU 85 6.081 -9.097 5.192 540 HA GLU 85 HA GLU 85 4.241 -10.254 5.840 541 HB2 GLU 85 HB2 GLU 85 6.122 -10.812 8.074 542 HB3 GLU 85 HB1 GLU 85 4.424 -11.197 8.327 543 HG2 GLU 85 HG2 GLU 85 6.135 -12.216 6.069 544 HG3 GLU 85 HG1 GLU 85 5.685 -13.115 7.517 545 H ASP 86 HN ASP 86 4.599 -7.353 6.443 546 HA ASP 86 HA ASP 86 3.093 -6.898 8.859 547 HB2 ASP 86 HB2 ASP 86 4.836 -5.328 7.686 548 HB3 ASP 86 HB1 ASP 86 3.447 -4.813 6.733 549 H VAL 87 HN VAL 87 1.003 -5.839 8.898 550 HA VAL 87 HA VAL 87 -0.664 -6.611 6.592 551 HB VAL 87 HB VAL 87 -1.596 -6.422 9.460 552 HG11 VAL 87 HG11 VAL 87 -3.332 -6.088 7.774 553 HG12 VAL 87 HG12 VAL 87 -3.563 -7.606 8.645 554 HG13 VAL 87 HG13 VAL 87 -2.892 -7.618 7.013 555 HG21 VAL 87 HG21 VAL 87 -0.851 -8.880 7.878 556 HG22 VAL 87 HG22 VAL 87 -1.598 -8.875 9.476 557 HG23 VAL 87 HG23 VAL 87 0.030 -8.227 9.259 558 H ILE 88 HN ILE 88 -1.581 -4.987 5.558 559 HA ILE 88 HA ILE 88 -2.088 -2.490 7.027 560 HB ILE 88 HB ILE 88 -0.228 -2.201 5.440 561 HG12 ILE 88 HG12 ILE 88 -2.623 -0.763 4.313 562 HG13 ILE 88 HG11 ILE 88 -1.998 -0.403 5.917 563 HG21 ILE 88 HG21 ILE 88 -2.234 -3.015 3.347 564 HG22 ILE 88 HG22 ILE 88 -0.768 -3.879 3.803 565 HG23 ILE 88 HG23 ILE 88 -0.656 -2.307 3.010 566 HD11 ILE 88 HD11 ILE 88 -1.134 1.165 4.322 567 HD12 ILE 88 HD12 ILE 88 -0.510 -0.143 3.319 568 HD13 ILE 88 HD13 ILE 88 0.174 0.148 4.919 569 H GLU 89 HN GLU 89 -4.058 -1.507 6.687 570 HA GLU 89 HA GLU 89 -6.031 -3.183 5.306 571 HB2 GLU 89 HB2 GLU 89 -6.483 -0.996 7.343 572 HB3 GLU 89 HB1 GLU 89 -7.705 -2.081 6.691 573 HG2 GLU 89 HG2 GLU 89 -6.656 -3.973 7.739 574 HG3 GLU 89 HG1 GLU 89 -5.315 -2.973 8.289 575 H VAL 90 HN VAL 90 -7.545 -2.294 3.896 576 HA VAL 90 HA VAL 90 -7.142 0.477 3.066 577 HB VAL 90 HB VAL 90 -5.707 -0.874 1.590 578 HG11 VAL 90 HG11 VAL 90 -8.265 -2.264 0.799 579 HG12 VAL 90 HG12 VAL 90 -6.876 -2.985 1.614 580 HG13 VAL 90 HG13 VAL 90 -6.725 -2.414 -0.048 581 HG21 VAL 90 HG21 VAL 90 -6.590 -0.057 -0.559 582 HG22 VAL 90 HG22 VAL 90 -6.662 1.161 0.713 583 HG23 VAL 90 HG23 VAL 90 -8.125 0.304 0.230 584 H TYR 91 HN TYR 91 -9.012 1.492 2.736 585 HA TYR 91 HA TYR 91 -11.402 -0.096 2.112 586 HB2 TYR 91 HB2 TYR 91 -11.226 2.010 4.278 587 HB3 TYR 91 HB1 TYR 91 -12.716 1.250 3.728 588 HD1 TYR 91 HD1 TYR 91 -12.850 -1.323 3.930 589 HD2 TYR 91 HD2 TYR 91 -10.002 1.053 6.013 590 HE1 TYR 91 HE1 TYR 91 -12.505 -3.151 5.538 591 HE2 TYR 91 HE2 TYR 91 -9.650 -0.768 7.621 592 HH TYR 91 HH TYR 91 -10.424 -3.831 7.126 593 H GLN 92 HN GLN 92 -13.203 1.243 1.312 594 HA GLN 92 HA GLN 92 -12.247 3.082 -0.657 595 HB2 GLN 92 HB2 GLN 92 -14.110 1.566 -1.124 596 HB3 GLN 92 HB1 GLN 92 -15.070 2.345 0.126 597 HG2 GLN 92 HG2 GLN 92 -14.799 4.485 -1.200 598 HG3 GLN 92 HG1 GLN 92 -14.182 3.474 -2.507 599 HE21 GLN 92 HE21 GLN 92 -16.594 5.138 -2.316 600 HE22 GLN 92 HE22 GLN 92 -17.913 4.080 -2.684 601 H GLU 93 HN GLU 93 -12.345 5.245 -0.717 602 HA GLU 93 HA GLU 93 -12.800 6.644 1.756 603 HB2 GLU 93 HB2 GLU 93 -11.900 7.480 -0.993 604 HB3 GLU 93 HB1 GLU 93 -12.243 8.660 0.263 605 HG2 GLU 93 HG2 GLU 93 -10.366 6.409 0.809 606 HG3 GLU 93 HG1 GLU 93 -9.822 7.818 -0.103 607 H GLN 94 HN GLN 94 -14.282 8.277 2.115 608 HA GLN 94 HA GLN 94 -16.882 7.848 1.103 609 HB2 GLN 94 HB2 GLN 94 -16.246 8.750 3.379 610 HB3 GLN 94 HB1 GLN 94 -15.884 10.279 2.593 611 HG2 GLN 94 HG2 GLN 94 -18.204 10.452 1.858 612 HG3 GLN 94 HG1 GLN 94 -18.561 8.913 2.642 613 HE21 GLN 94 HE21 GLN 94 -20.068 9.806 4.025 614 HE22 GLN 94 HE22 GLN 94 -19.631 10.833 5.345 615 H THR 95 HN THR 95 -14.266 9.919 0.205 616 HA THR 95 HA THR 95 -15.754 11.807 -1.314 617 HB THR 95 HB THR 95 -13.057 11.538 -2.260 618 HG1 THR 95 HG1 THR 95 -12.396 12.119 0.151 619 HG21 THR 95 HG21 THR 95 -14.373 13.618 -2.205 620 HG22 THR 95 HG22 THR 95 -12.845 13.790 -1.344 621 HG23 THR 95 HG23 THR 95 -14.344 13.581 -0.443 622 H GLY 96 HN GLY 96 -14.962 8.575 -1.886 623 HA2 GLY 96 HA2 GLY 96 -15.538 7.271 -3.714 624 HA3 GLY 96 HA1 GLY 96 -15.956 8.736 -4.593 625 H GLY 97 HN GLY 97 -13.797 10.177 -4.818 626 HA2 GLY 97 HA2 GLY 97 -11.517 8.503 -5.545 627 HA3 GLY 97 HA1 GLY 97 -12.310 9.366 -6.856 628 H1 ASP 195 HN ASP 195 -8.219 -20.686 -4.924 629 HA ASP 195 HA ASP 195 -9.535 -18.672 -3.781 630 HB2 ASP 195 HB2 ASP 195 -8.065 -19.518 -1.716 631 HB3 ASP 195 HB1 ASP 195 -6.897 -18.407 -2.426 632 H THR 196 HN THR 196 -8.129 -16.445 -3.858 633 HA THR 196 HA THR 196 -6.431 -16.645 -6.253 634 HB THR 196 HB THR 196 -7.556 -14.044 -6.175 635 HG1 THR 196 HG1 THR 196 -9.258 -15.252 -4.957 636 HG21 THR 196 HG21 THR 196 -8.456 -14.705 -8.383 637 HG22 THR 196 HG22 THR 196 -8.017 -16.376 -8.032 638 HG23 THR 196 HG23 THR 196 -6.759 -15.150 -8.185 639 H ALA 197 HN ALA 197 -4.471 -15.839 -6.000 640 HA ALA 197 HA ALA 197 -4.017 -13.888 -3.842 641 HB1 ALA 197 HB1 ALA 197 -3.048 -16.130 -3.376 642 HB2 ALA 197 HB2 ALA 197 -1.842 -14.847 -3.469 643 HB3 ALA 197 HB3 ALA 197 -2.056 -15.956 -4.825 644 H GLY 198 HN GLY 198 -3.137 -12.004 -4.471 645 HA2 GLY 198 HA2 GLY 198 -2.047 -11.891 -7.217 646 HA3 GLY 198 HA1 GLY 198 -3.017 -10.604 -6.514 647 H CYS 199 HN CYS 199 -0.057 -11.162 -7.465 648 HA CYS 199 HA CYS 199 1.161 -9.730 -5.200 649 HB2 CYS 199 HB2 CYS 199 2.653 -11.451 -7.178 650 HB3 CYS 199 HB1 CYS 199 3.237 -10.809 -5.646 651 HG CYS 199 HG CYS 199 1.461 -12.435 -4.121 652 H ILE 200 HN ILE 200 1.911 -7.771 -5.619 653 HA ILE 200 HA ILE 200 2.364 -7.030 -8.428 654 HB ILE 200 HB ILE 200 0.415 -5.880 -7.899 655 HG12 ILE 200 HG12 ILE 200 2.566 -3.884 -7.170 656 HG13 ILE 200 HG11 ILE 200 2.222 -4.409 -8.815 657 HG21 ILE 200 HG21 ILE 200 1.608 -5.305 -5.197 658 HG22 ILE 200 HG22 ILE 200 0.209 -6.311 -5.576 659 HG23 ILE 200 HG23 ILE 200 0.123 -4.562 -5.791 660 HD11 ILE 200 HD11 ILE 200 0.439 -2.847 -6.970 661 HD12 ILE 200 HD12 ILE 200 -0.116 -3.560 -8.483 662 HD13 ILE 200 HD13 ILE 200 1.144 -2.325 -8.501 663 H VAL 201 HN VAL 201 4.233 -6.041 -8.927 664 HA VAL 201 HA VAL 201 6.036 -5.435 -6.683 665 HB VAL 201 HB VAL 201 6.824 -7.352 -7.998 666 HG11 VAL 201 HG11 VAL 201 7.553 -7.040 -10.338 667 HG12 VAL 201 HG12 VAL 201 6.826 -5.434 -10.327 668 HG13 VAL 201 HG13 VAL 201 5.811 -6.863 -10.142 669 HG21 VAL 201 HG21 VAL 201 8.511 -6.013 -6.968 670 HG22 VAL 201 HG22 VAL 201 8.440 -4.821 -8.262 671 HG23 VAL 201 HG23 VAL 201 9.085 -6.429 -8.582 672 H ILE 202 HN ILE 202 6.808 -3.470 -6.545 673 HA ILE 202 HA ILE 202 6.378 -1.582 -8.756 674 HB ILE 202 HB ILE 202 4.800 -1.187 -6.946 675 HG12 ILE 202 HG12 ILE 202 5.640 1.164 -6.264 676 HG13 ILE 202 HG11 ILE 202 7.008 0.813 -7.318 677 HG21 ILE 202 HG21 ILE 202 7.225 -0.967 -5.159 678 HG22 ILE 202 HG22 ILE 202 5.961 -2.194 -5.084 679 HG23 ILE 202 HG23 ILE 202 5.588 -0.517 -4.695 680 HD11 ILE 202 HD11 ILE 202 5.105 0.239 -9.044 681 HD12 ILE 202 HD12 ILE 202 5.632 1.898 -8.768 682 HD13 ILE 202 HD13 ILE 202 4.160 1.305 -8.004 683 H SEP 203 HN SEP 203 8.159 -0.351 -9.357 684 HA SEP 203 HA SEP 203 10.482 -0.531 -7.555 685 HB2 SEP 203 HB1 SEP 203 10.400 -0.230 -10.571 686 HB3 SEP 203 HB2 SEP 203 10.739 -1.730 -9.713 687 H ASP 204 HN ASP 204 10.778 1.330 -6.562 688 HA ASP 204 HA ASP 204 10.637 3.763 -8.152 689 HB2 ASP 204 HB2 ASP 204 8.491 3.529 -6.991 690 HB3 ASP 204 HB1 ASP 204 9.336 3.571 -5.467 691 H SEP 205 HN SEP 205 12.340 5.054 -7.831 692 HA SEP 205 HA SEP 205 13.766 4.862 -5.292 693 HB2 SEP 205 HB1 SEP 205 15.638 5.382 -7.317 694 HB3 SEP 205 HB2 SEP 205 14.772 3.900 -7.717 695 H GLU 206 HN GLU 206 14.431 6.772 -4.416 696 HA GLU 206 HA GLU 206 13.616 9.224 -5.575 697 HB2 GLU 206 HB2 GLU 206 13.939 9.165 -3.206 698 HB3 GLU 206 HB1 GLU 206 15.597 8.608 -3.372 699 HG2 GLU 206 HG2 GLU 206 15.396 10.979 -2.692 700 HG3 GLU 206 HG1 GLU 206 16.308 10.741 -4.180
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